smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1 ZINC000000640268 193867526 /nfs/dbraw/zinc/86/75/26/193867526.db2.gz GKEOVIMJPFYRLB-UHFFFAOYSA-N 0 0 426.563 4.551 50 0 IJAARN O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000653337 193873408 /nfs/dbraw/zinc/87/34/08/193873408.db2.gz NIGKWZRVYJMGDG-QHCPKHFHSA-N 0 0 446.400 4.840 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C(C)C)cc2)cc1 ZINC000000656600 193875020 /nfs/dbraw/zinc/87/50/20/193875020.db2.gz QKTZNAZYTVBHCL-UHFFFAOYSA-N 0 0 428.598 4.716 50 0 IJAARN CSc1ccc(CCNC(=O)[C@@H](C)N2c3ccccc3SC(C)(C)CC2=O)cc1 ZINC000009847636 193905916 /nfs/dbraw/zinc/90/59/16/193905916.db2.gz UBDZDQFFRAOZPI-MRXNPFEDSA-N 0 0 428.623 4.763 50 0 IJAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275353 193951477 /nfs/dbraw/zinc/95/14/77/193951477.db2.gz ATFSYLDDEBQJMK-RUZDIDTESA-N 0 0 442.559 4.983 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)[C@H]3CCC[C@H](OC)C3)ccc21 ZINC000096276928 193953017 /nfs/dbraw/zinc/95/30/17/193953017.db2.gz NKTQXDNZPRTXEV-UGKGYDQZSA-N 0 0 433.552 4.735 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)N1CCCc2ccccc21 ZINC000000674089 132228975 /nfs/dbraw/zinc/22/89/75/132228975.db2.gz SMIPJSWQESWLCS-UHFFFAOYSA-N 0 0 425.120 4.570 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC[C@H]2CCCO2)c1)c1ccccc1 ZINC000000736897 132229953 /nfs/dbraw/zinc/22/99/53/132229953.db2.gz DYFCFNKAOGQAHN-PKTZIBPZSA-N 0 0 449.595 4.718 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1 ZINC000000815371 132231009 /nfs/dbraw/zinc/23/10/09/132231009.db2.gz TYBLOORSFYJHAB-UHFFFAOYSA-N 0 0 434.446 4.936 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCCc5ccccc54)ccc32)cc1 ZINC000000950439 132236025 /nfs/dbraw/zinc/23/60/25/132236025.db2.gz HAHAASIEFLEHHC-UHFFFAOYSA-N 0 0 441.483 4.827 50 0 IJAARN CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000001179522 132238704 /nfs/dbraw/zinc/23/87/04/132238704.db2.gz QJGFLFQWZLGHSD-UHFFFAOYSA-N 0 0 436.556 4.638 50 0 aggregator IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccs1 ZINC000002210514 132248891 /nfs/dbraw/zinc/24/88/91/132248891.db2.gz NTLRTUMBHHFRPR-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4F)CC3)c2cc1OC ZINC000002300876 132251635 /nfs/dbraw/zinc/25/16/35/132251635.db2.gz DXODZTAGDLSJLS-UHFFFAOYSA-N 0 0 444.510 4.780 50 0 IJAARN CCN1CCN(c2nc(SC)nc3c4c5c(c(C(C)C)nc4sc32)CCC5)CC1 ZINC000002428349 132254329 /nfs/dbraw/zinc/25/43/29/132254329.db2.gz LPJDMLUASCJHJH-UHFFFAOYSA-N 0 0 427.643 4.715 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3Cl)CC2)cc1 ZINC000002857694 132257800 /nfs/dbraw/zinc/25/78/00/132257800.db2.gz GGJYMOZWYXFTGN-UHFFFAOYSA-N 0 0 436.737 4.659 50 0 IJAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1N1CCOCC1 ZINC000002881427 132258158 /nfs/dbraw/zinc/25/81/58/132258158.db2.gz GNMMZMGKFRNXFH-UHFFFAOYSA-N 0 0 441.325 4.700 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCC(C)CC4)c3c2C)c1 ZINC000002924528 132259081 /nfs/dbraw/zinc/25/90/81/132259081.db2.gz PUGMOWWZOUEGGY-UHFFFAOYSA-N 0 0 426.542 4.506 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2O/C(=C/c2ccccc2)C1=O ZINC000003058060 132261304 /nfs/dbraw/zinc/26/13/04/132261304.db2.gz WSNYQKWVJJZUAJ-VXCWRXKNSA-N 0 0 426.516 4.591 50 0 IJAARN O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCN(c2ncccn2)CC1 ZINC000003287328 132263377 /nfs/dbraw/zinc/26/33/77/132263377.db2.gz QRPREQREEHANGK-UHFFFAOYSA-N 0 0 427.744 4.614 50 0 IJAARN O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645357 132266889 /nfs/dbraw/zinc/26/68/89/132266889.db2.gz CFEWEEXSUCKNRQ-UHFFFAOYSA-N 0 0 428.966 4.970 50 0 IJAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NC2CCCCCCC2)cc1 ZINC000003665827 132267346 /nfs/dbraw/zinc/26/73/46/132267346.db2.gz UXSCWSFSKNOXCT-VWLOTQADSA-N 0 0 437.540 4.512 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1 ZINC000004122806 132270462 /nfs/dbraw/zinc/27/04/62/132270462.db2.gz MPQAVIRHGSOSIV-UHFFFAOYSA-N 0 0 443.547 4.608 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1)c1ccccc1 ZINC000006168565 132276349 /nfs/dbraw/zinc/27/63/49/132276349.db2.gz CHRFCBSJTHXXTB-XMMPIXPASA-N 0 0 428.580 4.527 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc(-c4cccc(C)c4)nc(C)c3CC)CC2)cc1 ZINC000006704310 132278204 /nfs/dbraw/zinc/27/82/04/132278204.db2.gz LAVXWPVXSKWWRU-UHFFFAOYSA-N 0 0 428.580 4.848 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@@H](CC)Oc4ccc(C)cc43)CC2)cc1 ZINC000008588588 132283266 /nfs/dbraw/zinc/28/32/66/132283266.db2.gz HRYUIGDFMZUSKQ-HSZRJFAPSA-N 0 0 449.595 4.683 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1 ZINC000008592485 132284231 /nfs/dbraw/zinc/28/42/31/132284231.db2.gz SOBWXBVTQULSKO-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN O=C(c1ccc(-c2ccccc2F)o1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008703973 132290753 /nfs/dbraw/zinc/29/07/53/132290753.db2.gz PPPVXBQVJNTDRE-HSZRJFAPSA-N 0 0 434.467 4.506 50 0 IJAARN O=C1C[C@@H](c2ccccc2Cl)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21 ZINC000008758907 132293272 /nfs/dbraw/zinc/29/32/72/132293272.db2.gz KEXIQIJOUYRQRA-INIZCTEOSA-N 0 0 436.918 4.508 50 0 IJAARN O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCCC1 ZINC000008766689 132293533 /nfs/dbraw/zinc/29/35/33/132293533.db2.gz ZFQWSGIZCOQMGF-GOSISDBHSA-N 0 0 435.955 4.687 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1Sc1ccccc1Cl ZINC000008893778 132297084 /nfs/dbraw/zinc/29/70/84/132297084.db2.gz JTHVMAXSVLZPAF-UHFFFAOYSA-N 0 0 425.941 4.975 50 0 IJAARN O=C(NCc1cccs1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912806 132297768 /nfs/dbraw/zinc/29/77/68/132297768.db2.gz AATZAYDSMJAKNX-UHFFFAOYSA-N 0 0 426.542 4.578 50 0 IJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000008933597 132298185 /nfs/dbraw/zinc/29/81/85/132298185.db2.gz VOAXJYFPPSPODY-UHFFFAOYSA-N 0 0 439.563 4.551 50 0 IJAARN Cc1cc(Cl)ccc1Nc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2nccnc21 ZINC000009075077 132302017 /nfs/dbraw/zinc/30/20/17/132302017.db2.gz KHMRMAKMQBQQJT-UHFFFAOYSA-N 0 0 449.921 4.591 50 0 IJAARN Cc1ccc(NC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)c(Cl)c1 ZINC000009114916 132303399 /nfs/dbraw/zinc/30/33/99/132303399.db2.gz SUHYXRVCLOHSSN-JOCHJYFZSA-N 0 0 435.911 4.929 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000009376227 132314507 /nfs/dbraw/zinc/31/45/07/132314507.db2.gz YWIUABWJZMIRLD-DTQAZKPQSA-N 0 0 442.559 4.774 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccccc43)CC2)c(Cl)c1 ZINC000009405880 132315180 /nfs/dbraw/zinc/31/51/80/132315180.db2.gz JIEAXWNBGFFMLE-INIZCTEOSA-N 0 0 427.932 4.706 50 0 IJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000009406014 132315427 /nfs/dbraw/zinc/31/54/27/132315427.db2.gz UZZHXAPJXZXFTJ-LJQANCHMSA-N 0 0 427.932 4.788 50 0 IJAARN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000009423157 132316537 /nfs/dbraw/zinc/31/65/37/132316537.db2.gz XGAVFJRACLYJHO-UHFFFAOYSA-N 0 0 425.916 4.643 50 0 IJAARN O=C(CCc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000009569444 132321960 /nfs/dbraw/zinc/32/19/60/132321960.db2.gz AWCNSIFMADGHDU-UHFFFAOYSA-N 0 0 438.524 4.539 50 0 IJAARN CC(=O)N1C[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)Oc2ccccc21 ZINC000009593067 132322539 /nfs/dbraw/zinc/32/25/39/132322539.db2.gz GNUWCPJAFZLUQY-NRFANRHFSA-N 0 0 429.501 4.716 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCCC[C@H]3C)cc12 ZINC000009598018 132322911 /nfs/dbraw/zinc/32/29/11/132322911.db2.gz UQZOKIGNWDROPO-HXUWFJFHSA-N 0 0 436.600 4.899 50 0 IJAARN Cc1cc(C)n2c(nnc2SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 ZINC000009645838 132324774 /nfs/dbraw/zinc/32/47/74/132324774.db2.gz JGIGFPHEDMZKLN-LJQANCHMSA-N 0 0 447.589 4.713 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000009697064 132326419 /nfs/dbraw/zinc/32/64/19/132326419.db2.gz QJDYMWVNPNHRNY-UHFFFAOYSA-N 0 0 425.941 4.975 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009716415 132327213 /nfs/dbraw/zinc/32/72/13/132327213.db2.gz QKZPNNTUIHSCDJ-UHFFFAOYSA-N 0 0 427.504 4.604 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009836153 132329732 /nfs/dbraw/zinc/32/97/32/132329732.db2.gz CRSDGQNKTRVMNC-FIRDEBMASA-N 0 0 448.350 4.886 50 0 IJAARN CCCC[C@@H](CC)CNC(=O)C[C@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009851253 132330247 /nfs/dbraw/zinc/33/02/47/132330247.db2.gz XSKBTAGHMZWEOP-VQTJNVASSA-N 0 0 436.040 4.738 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(c2nnc(Cc3ccncc3)c3ccccc32)CC1 ZINC000009860760 132330363 /nfs/dbraw/zinc/33/03/63/132330363.db2.gz XNPXVDGJUDJFRL-UHFFFAOYSA-N 0 0 429.955 4.904 50 0 IJAARN COc1cccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009908828 132331624 /nfs/dbraw/zinc/33/16/24/132331624.db2.gz VQXMZRPESNMLLL-UHFFFAOYSA-N 0 0 446.887 4.823 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000010035052 132334139 /nfs/dbraw/zinc/33/41/39/132334139.db2.gz LBILFCBGGWYLSQ-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1CC ZINC000011118912 132337401 /nfs/dbraw/zinc/33/74/01/132337401.db2.gz CXSUHGXCSHXSQZ-UHFFFAOYSA-N 0 0 434.561 4.934 50 0 IJAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000013013082 132342463 /nfs/dbraw/zinc/34/24/63/132342463.db2.gz ZKTVIAVIKUSAAB-QFIPXVFZSA-N 0 0 427.529 4.585 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000013946299 132355554 /nfs/dbraw/zinc/35/55/54/132355554.db2.gz HFRKNNWDHJFABE-UHFFFAOYSA-N 0 0 444.019 4.944 50 0 IJAARN O=C(CSc1ccc2ccccc2c1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000014128652 132356160 /nfs/dbraw/zinc/35/61/60/132356160.db2.gz SLDMXRAFOIBOJT-XMMPIXPASA-N 0 0 446.572 4.739 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1OCC ZINC000014180584 132356508 /nfs/dbraw/zinc/35/65/08/132356508.db2.gz BNMRZJOMYSMTEL-UHFFFAOYSA-N 0 0 440.931 4.567 50 0 IJAARN Brc1cc2c(cc1CSc1nnc(NCc3ccco3)s1)OCCO2 ZINC000012902556 518208223 /nfs/dbraw/zinc/20/82/23/518208223.db2.gz CTNVJSVXFMZNQB-UHFFFAOYSA-N 0 0 440.344 4.569 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1C ZINC000018359194 518232255 /nfs/dbraw/zinc/23/22/55/518232255.db2.gz CWVBULUKUUCRQZ-HNNXBMFYSA-N 0 0 429.542 4.638 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000012606973 518349176 /nfs/dbraw/zinc/34/91/76/518349176.db2.gz MZFYCHIOLHJWQR-UHFFFAOYSA-N 0 0 425.941 4.629 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000022524690 518377550 /nfs/dbraw/zinc/37/75/50/518377550.db2.gz GOLQLJBHWJRHNH-HNNXBMFYSA-N 0 0 440.546 4.822 50 0 IJAARN CC(=O)c1ccc(Nc2nc(NC(C)C)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000009730845 518389604 /nfs/dbraw/zinc/38/96/04/518389604.db2.gz LXSVCOXGVQHUAY-UHFFFAOYSA-N 0 0 437.344 4.510 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 ZINC000012622660 518430405 /nfs/dbraw/zinc/43/04/05/518430405.db2.gz KGMNHYWEEWNNOW-UHFFFAOYSA-N 0 0 443.528 4.628 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(F)cc4)[nH]c(=O)c23)C1 ZINC000021882555 518979701 /nfs/dbraw/zinc/97/97/01/518979701.db2.gz DUSOJCHPQLSVMN-HNNXBMFYSA-N 0 0 441.572 4.524 50 0 IJAARN CC(C)(C)c1ccc(C2=NC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)NC2=O)cc1 ZINC000020556609 519025450 /nfs/dbraw/zinc/02/54/50/519025450.db2.gz QSTGPARHAAPNMK-UHFFFAOYSA-N 0 0 438.959 4.581 50 0 IJAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(I)c3)C(=O)O2)cc1 ZINC000015134971 519026122 /nfs/dbraw/zinc/02/61/22/519026122.db2.gz XKLRBJHADMKWDH-ATVHPVEESA-N 0 0 431.273 4.933 50 0 IJAARN CC(C)=C1c2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2NC1=O ZINC000020577931 519394385 /nfs/dbraw/zinc/39/43/85/519394385.db2.gz KQWYETWAPQBBGC-UHFFFAOYSA-N 0 0 446.572 4.866 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000012741372 519483110 /nfs/dbraw/zinc/48/31/10/519483110.db2.gz FKZOLXLCGKCQPD-XMMPIXPASA-N 0 0 431.561 4.741 50 0 IJAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2N(C)C(=O)c2cccs2)c1 ZINC000012743316 519526056 /nfs/dbraw/zinc/52/60/56/519526056.db2.gz CUTBDSGZNBPHID-UHFFFAOYSA-N 0 0 435.549 4.549 50 0 IJAARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000012379436 519592333 /nfs/dbraw/zinc/59/23/33/519592333.db2.gz GQRCXIUDDFIVPQ-UHFFFAOYSA-N 0 0 433.939 4.928 50 0 IJAARN CC(=O)N1N=C(c2cccc(I)c2)O[C@@H]1c1cccc2ccccc21 ZINC000020946075 519638426 /nfs/dbraw/zinc/63/84/26/519638426.db2.gz ROFREFUXWYRDQR-HXUWFJFHSA-N 0 0 442.256 4.684 50 0 IJAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(F)c1 ZINC000021911860 519661385 /nfs/dbraw/zinc/66/13/85/519661385.db2.gz KTROLSFUXQMUCM-JOCHJYFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(C)CCOc1cccc(C(=O)NC(=S)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000012137327 519675486 /nfs/dbraw/zinc/67/54/86/519675486.db2.gz ANTOSBQMJULIHO-QFIPXVFZSA-N 0 0 442.581 4.796 50 0 IJAARN CC(C)N1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)n2CCc2ccccc2)C1=O ZINC000021151154 519699655 /nfs/dbraw/zinc/69/96/55/519699655.db2.gz NTDXISNENANOOD-QHCPKHFHSA-N 0 0 437.543 4.721 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031714 519725339 /nfs/dbraw/zinc/72/53/39/519725339.db2.gz IBAPEULKPJNRAV-INIZCTEOSA-N 0 0 426.476 4.661 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1 ZINC000033216721 519733054 /nfs/dbraw/zinc/73/30/54/519733054.db2.gz BCEFRQSENOOHOR-UHFFFAOYSA-N 0 0 435.933 4.544 50 0 IJAARN CC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010032 519740084 /nfs/dbraw/zinc/74/00/84/519740084.db2.gz MTZYWAJIYIUZSD-INIZCTEOSA-N 0 0 441.384 4.570 50 0 IJAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(CC(C)C)c2=O ZINC000033076994 519741751 /nfs/dbraw/zinc/74/17/51/519741751.db2.gz LXXMBZZDYHZHLD-UHFFFAOYSA-N 0 0 441.572 4.870 50 0 IJAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936039 519828306 /nfs/dbraw/zinc/82/83/06/519828306.db2.gz JNBSQYCIQZLEQW-SCLBCKFNSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1ccc(N(Cc2cccc(Cl)c2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000020867378 519836619 /nfs/dbraw/zinc/83/66/19/519836619.db2.gz VXXNGHGTNBIYHR-WOJBJXKFSA-N 0 0 435.014 4.738 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012855001 519841099 /nfs/dbraw/zinc/84/10/99/519841099.db2.gz GPXMMTGSKFXITB-UHFFFAOYSA-N 0 0 431.554 4.507 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)nnn4CC)n2)cc1 ZINC000012921789 519877458 /nfs/dbraw/zinc/87/74/58/519877458.db2.gz WQZFDUBORYKEPR-UHFFFAOYSA-N 0 0 434.525 4.566 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 ZINC000012922781 519877493 /nfs/dbraw/zinc/87/74/93/519877493.db2.gz FLUFGTDBVJHRFC-DEOSSOPVSA-N 0 0 449.532 4.659 50 0 IJAARN CCCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035978553 519883427 /nfs/dbraw/zinc/88/34/27/519883427.db2.gz YBVVFTAUNHSALS-UHFFFAOYSA-N 0 0 436.556 4.849 50 0 IJAARN CCOCCCNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000020985603 519895592 /nfs/dbraw/zinc/89/55/92/519895592.db2.gz WJNVRYXPIIVDFZ-UHFFFAOYSA-N 0 0 439.537 4.752 50 0 IJAARN CCOCCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)CC)c2)n1 ZINC000037385580 520043755 /nfs/dbraw/zinc/04/37/55/520043755.db2.gz XJGMQBSDAHTCQY-UHFFFAOYSA-N 0 0 448.445 4.717 50 0 IJAARN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385302 520046411 /nfs/dbraw/zinc/04/64/11/520046411.db2.gz SHDJUNUTEKIQRT-UHFFFAOYSA-N 0 0 432.480 4.503 50 0 IJAARN CCCCCCn1nc(C(=O)Nc2nc3ccccc3n2CCC)c2ccccc2c1=O ZINC000012546226 520140258 /nfs/dbraw/zinc/14/02/58/520140258.db2.gz ZNWYOYZVDHNHOX-UHFFFAOYSA-N 0 0 431.540 4.989 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1OCC ZINC000012880778 520295975 /nfs/dbraw/zinc/29/59/75/520295975.db2.gz ZOJQGUJPDZNJHW-UHFFFAOYSA-N 0 0 430.932 4.584 50 0 IJAARN CCCCCn1c(-c2ccc3cc(OC)ccc3c2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000012485064 520330675 /nfs/dbraw/zinc/33/06/75/520330675.db2.gz XOGOWBWMVOPNIE-UHFFFAOYSA-N 0 0 434.540 4.705 50 0 IJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)cc1 ZINC000035171079 520339804 /nfs/dbraw/zinc/33/98/04/520339804.db2.gz SXFGACOEJXEAIR-QGZVFWFLSA-N 0 0 425.435 4.556 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1 ZINC000035398008 520359041 /nfs/dbraw/zinc/35/90/41/520359041.db2.gz BXAHVINOXHTKGU-JOCHJYFZSA-N 0 0 444.579 4.774 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1 ZINC000035398009 520361553 /nfs/dbraw/zinc/36/15/53/520361553.db2.gz BXAHVINOXHTKGU-QFIPXVFZSA-N 0 0 444.579 4.774 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012869446 520366523 /nfs/dbraw/zinc/36/65/23/520366523.db2.gz QXXDWNRVXOIHML-UHFFFAOYSA-N 0 0 445.441 4.780 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2csc(C(C)=O)c2)CC1 ZINC000011839674 520458070 /nfs/dbraw/zinc/45/80/70/520458070.db2.gz OEHPKZAENPXZIK-UHFFFAOYSA-N 0 0 427.566 4.759 50 0 IJAARN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012573260 520465716 /nfs/dbraw/zinc/46/57/16/520465716.db2.gz FUELHXRSXPQHGV-UHFFFAOYSA-N 0 0 433.495 4.685 50 0 IJAARN CCCOc1ccccc1-c1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000020808008 520471943 /nfs/dbraw/zinc/47/19/43/520471943.db2.gz MNDJOIPGGIIZPO-UHFFFAOYSA-N 0 0 432.343 4.998 50 0 IJAARN CC1(C)C[C@@](CCNC(=O)CCc2nnc(-c3ccsc3)o2)(c2ccccc2)CCO1 ZINC000012194461 520546132 /nfs/dbraw/zinc/54/61/32/520546132.db2.gz KDRPUPHLFRBQLV-DEOSSOPVSA-N 0 0 439.581 4.764 50 0 IJAARN CCOC(=O)C1CCC(CNC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000021705513 520547602 /nfs/dbraw/zinc/54/76/02/520547602.db2.gz VDDSLFPFYRDIOO-UHFFFAOYSA-N 0 0 448.523 4.895 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000014832635 520559586 /nfs/dbraw/zinc/55/95/86/520559586.db2.gz FDFYIUXUEKKZCX-UHFFFAOYSA-N 0 0 439.737 4.602 50 0 IJAARN CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)C3CCCCC3)c2)C(C(=O)OC)=C1C ZINC000035711239 520560288 /nfs/dbraw/zinc/56/02/88/520560288.db2.gz OJHHYCQCBMRSIF-NRFANRHFSA-N 0 0 427.545 4.519 50 0 IJAARN CCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021868862 520564194 /nfs/dbraw/zinc/56/41/94/520564194.db2.gz XAUIDXVVOGPWLQ-HHHXNRCGSA-N 0 0 446.595 4.814 50 0 IJAARN CCOC(=O)CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910481 520623247 /nfs/dbraw/zinc/62/32/47/520623247.db2.gz WFLYFASVBDQOFZ-XMMPIXPASA-N 0 0 440.565 4.870 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2cccc(F)c2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715919 520635756 /nfs/dbraw/zinc/63/57/56/520635756.db2.gz ODNFRAOICNZIGL-NHCUHLMSSA-N 0 0 443.538 4.505 50 0 IJAARN CCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C(C)C ZINC000012411327 520673145 /nfs/dbraw/zinc/67/31/45/520673145.db2.gz LSWBMCJTSBLDLW-UHFFFAOYSA-N 0 0 437.005 4.681 50 0 IJAARN CCCCNc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000012546787 520698116 /nfs/dbraw/zinc/69/81/16/520698116.db2.gz IYTNEZWIRIXBNL-UHFFFAOYSA-N 0 0 435.977 4.589 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000015781722 520798151 /nfs/dbraw/zinc/79/81/51/520798151.db2.gz VUNCUSVEWOJJGR-HXUWFJFHSA-N 0 0 444.503 4.626 50 0 IJAARN CCN(CC)c1c2cc(OC)c(OC)cc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000021522548 520875929 /nfs/dbraw/zinc/87/59/29/520875929.db2.gz SCYWKKTZOQWRAG-UHFFFAOYSA-N 0 0 434.945 4.584 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 ZINC000012342536 520919888 /nfs/dbraw/zinc/91/98/88/520919888.db2.gz UIRIBKYVCCGJGW-UHFFFAOYSA-N 0 0 442.562 4.541 50 0 IJAARN CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2nc3ccccc3[nH]2)cc1OCC ZINC000012578114 520922724 /nfs/dbraw/zinc/92/27/24/520922724.db2.gz VFGZLMLBXGRWHJ-UHFFFAOYSA-N 0 0 429.476 4.844 50 0 IJAARN CC1CCC(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021808442 520941212 /nfs/dbraw/zinc/94/12/12/520941212.db2.gz BYQNITPCZZWMTK-HJMRYINQSA-N 0 0 427.614 4.945 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925409 521016291 /nfs/dbraw/zinc/01/62/91/521016291.db2.gz WGDANJCEIOYVHS-HXUWFJFHSA-N 0 0 448.615 4.633 50 0 IJAARN CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)nn2)CC1 ZINC000020554833 521036318 /nfs/dbraw/zinc/03/63/18/521036318.db2.gz RQMOADGQMDUJKP-UHFFFAOYSA-N 0 0 442.972 4.834 50 0 IJAARN CC1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Br)c2)CC1 ZINC000001115721 521046718 /nfs/dbraw/zinc/04/67/18/521046718.db2.gz VUGWYYUFNCPWGL-UHFFFAOYSA-N 0 0 432.387 4.812 50 0 IJAARN CCOc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035446897 521082908 /nfs/dbraw/zinc/08/29/08/521082908.db2.gz OWUIKNBTHZNDLB-UHFFFAOYSA-N 0 0 432.524 4.833 50 0 biogenic IJAARN CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)s1)C1CC1 ZINC000012782893 521090715 /nfs/dbraw/zinc/09/07/15/521090715.db2.gz IPGYSSDYVYXERL-JTQLQIEISA-N 0 0 444.504 4.582 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(F)c2)C1 ZINC000035891869 521104202 /nfs/dbraw/zinc/10/42/02/521104202.db2.gz HSKFHMQOWFAEHK-DENIHFKCSA-N 0 0 436.527 4.641 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1OCC ZINC000012816204 521117722 /nfs/dbraw/zinc/11/77/22/521117722.db2.gz OKUBMVUJELIVJW-UHFFFAOYSA-N 0 0 435.524 4.563 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2ncnc3nc(N4CCCC4)sc32)cc1 ZINC000035533192 521278339 /nfs/dbraw/zinc/27/83/39/521278339.db2.gz YQAIGMRGHRHXAF-UHFFFAOYSA-N 0 0 427.599 4.760 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CC[C@H](C)C3 ZINC000035866432 521313158 /nfs/dbraw/zinc/31/31/58/521313158.db2.gz JLKQCZHBQWTBPK-INIZCTEOSA-N 0 0 426.630 4.607 50 0 IJAARN CCCc1c(C(=O)N2CCN(c3ccccc3C)CC2)cnc2cc(-c3ccccc3)nn21 ZINC000035707194 521330358 /nfs/dbraw/zinc/33/03/58/521330358.db2.gz IPKDDXHJYGBOFJ-UHFFFAOYSA-N 0 0 439.563 4.620 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(C)cc1)C(F)(F)F ZINC000012412273 521347001 /nfs/dbraw/zinc/34/70/01/521347001.db2.gz MSNIAZFBXUGTTK-GOSISDBHSA-N 0 0 448.363 4.677 50 0 IJAARN CCOc1cccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 ZINC000033296683 521357384 /nfs/dbraw/zinc/35/73/84/521357384.db2.gz SDJAJTFMQVVKJT-UHFFFAOYSA-N 0 0 432.524 4.588 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)n1CC ZINC000036004893 521388214 /nfs/dbraw/zinc/38/82/14/521388214.db2.gz OFJDGLDOKHAJDN-INIZCTEOSA-N 0 0 444.959 4.831 50 0 IJAARN CCOC(=O)c1c(C)n(CC)c(C)c1C(=O)COC(=O)Cc1c(Cl)cccc1Cl ZINC000012693236 521397112 /nfs/dbraw/zinc/39/71/12/521397112.db2.gz UAEQNVSRRXGZCG-UHFFFAOYSA-N 0 0 440.323 4.577 50 0 IJAARN CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000012882514 521407359 /nfs/dbraw/zinc/40/73/59/521407359.db2.gz IWJBZVPSPBZTQX-UHFFFAOYSA-N 0 0 440.590 4.552 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000023439661 521426800 /nfs/dbraw/zinc/42/68/00/521426800.db2.gz SSLQRJUKFPBIRR-GOSISDBHSA-N 0 0 447.535 4.597 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C[C@H]1CCCO1 ZINC000035945000 521482841 /nfs/dbraw/zinc/48/28/41/521482841.db2.gz XSGKCMBMYFWSQX-OAQYLSRUSA-N 0 0 441.572 4.542 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000035945005 521483883 /nfs/dbraw/zinc/48/38/83/521483883.db2.gz OGLVHRJWMAMDOS-QHCPKHFHSA-N 0 0 443.632 4.825 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1 ZINC000021914452 521516073 /nfs/dbraw/zinc/51/60/73/521516073.db2.gz XKQOKHIXYVNCNU-UHFFFAOYSA-N 0 0 428.492 4.751 50 0 IJAARN CCN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)N(C)C1=S ZINC000033333294 521516540 /nfs/dbraw/zinc/51/65/40/521516540.db2.gz WDYUJXPWUKZFAL-KGENOOAVSA-N 0 0 439.968 4.793 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000021530436 521538091 /nfs/dbraw/zinc/53/80/91/521538091.db2.gz DSVSOVBHBSQPJW-FQEVSTJZSA-N 0 0 434.517 4.651 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1)C(=O)Nc1ccccc1C ZINC000035471617 521540949 /nfs/dbraw/zinc/54/09/49/521540949.db2.gz IOPSFFHAXFDWNC-RUZDIDTESA-N 0 0 448.542 4.811 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1)C(=O)Nc1ccc(C)cc1 ZINC000035471573 521541066 /nfs/dbraw/zinc/54/10/66/521541066.db2.gz RVBSOECVVBSOFT-RUZDIDTESA-N 0 0 448.542 4.811 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021099948 521542132 /nfs/dbraw/zinc/54/21/32/521542132.db2.gz IKKMJTGKKZFOJQ-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037045 521555202 /nfs/dbraw/zinc/55/52/02/521555202.db2.gz YKBAFVWNRFQURQ-NRFANRHFSA-N 0 0 442.475 4.824 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2sc(COc3ccc(CC)cc3)nc2C)nc1C ZINC000021149986 521615701 /nfs/dbraw/zinc/61/57/01/521615701.db2.gz TULXKELSVCPYIG-UHFFFAOYSA-N 0 0 445.566 4.787 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccnc1Cl ZINC000012408319 521621036 /nfs/dbraw/zinc/62/10/36/521621036.db2.gz AXTCTHLRAJMPPO-UHFFFAOYSA-N 0 0 431.945 4.648 50 0 IJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)COC ZINC000035980380 521678655 /nfs/dbraw/zinc/67/86/55/521678655.db2.gz WFPONESECKDGBK-UHFFFAOYSA-N 0 0 427.932 4.918 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000012853074 521693734 /nfs/dbraw/zinc/69/37/34/521693734.db2.gz PXXAVUMFPGEYGD-UHFFFAOYSA-N 0 0 448.350 4.826 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3cccc(OC)c3)CC2)N=C1c1ccc(C)cc1 ZINC000020578207 521695088 /nfs/dbraw/zinc/69/50/88/521695088.db2.gz PALREAUPHCMROO-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CCOCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000020938860 521711917 /nfs/dbraw/zinc/71/19/17/521711917.db2.gz YZMVOGYMLRTFQD-QHCPKHFHSA-N 0 0 441.959 4.914 50 0 IJAARN CCN1c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2[S@@](=O)c2ccccc2C1=O ZINC000033313858 521730168 /nfs/dbraw/zinc/73/01/68/521730168.db2.gz KRSCSLBMHMDHNJ-GFJKYASSSA-N 0 0 444.556 4.641 50 0 IJAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000035980278 521739469 /nfs/dbraw/zinc/73/94/69/521739469.db2.gz IPWJDEAYIPEXDR-UHFFFAOYSA-N 0 0 434.540 4.930 50 0 IJAARN 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/nfs/dbraw/zinc/49/52/90/523495290.db2.gz MHASLFGIMBHUKG-UHFFFAOYSA-N 0 0 447.304 4.843 50 0 IJAARN COCCCn1c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605219 523501678 /nfs/dbraw/zinc/50/16/78/523501678.db2.gz IPXRDMFQOOWKGA-UHFFFAOYSA-N 0 0 429.851 4.830 50 0 IJAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000012767459 523572580 /nfs/dbraw/zinc/57/25/80/523572580.db2.gz SANSMPKWEZYTND-UHFFFAOYSA-N 0 0 441.597 4.617 50 0 IJAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000035946549 523599897 /nfs/dbraw/zinc/59/98/97/523599897.db2.gz WVLVLIODLOOHEB-QFIPXVFZSA-N 0 0 447.560 4.515 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cc(NC(=O)C3CC3)ccc2N(C)C)cc1 ZINC000035945216 523615729 /nfs/dbraw/zinc/61/57/29/523615729.db2.gz ZPYOJEQLQDXRBC-UHFFFAOYSA-N 0 0 447.535 4.545 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3C)CC2)c2ccccc12 ZINC000012920625 523620159 /nfs/dbraw/zinc/62/01/59/523620159.db2.gz JTRVKEWOLVONPV-LJQANCHMSA-N 0 0 430.548 4.886 50 0 IJAARN CN(c1ccc(OC(=O)c2ccc(Cl)s2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000023656006 523638734 /nfs/dbraw/zinc/63/87/34/523638734.db2.gz BSKNDKAAMBTPBZ-UHFFFAOYSA-N 0 0 425.890 4.585 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4C)c3)C2)cc1 ZINC000033034782 523643081 /nfs/dbraw/zinc/64/30/81/523643081.db2.gz PFUHAJUTHDOMGO-VWLOTQADSA-N 0 0 442.559 4.953 50 0 IJAARN CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000020602159 523688067 /nfs/dbraw/zinc/68/80/67/523688067.db2.gz UKWBQYMXCWDUOW-UHFFFAOYSA-N 0 0 425.598 4.768 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020191259 523713080 /nfs/dbraw/zinc/71/30/80/523713080.db2.gz RIEPODGXKSGDQY-UHFFFAOYSA-N 0 0 446.986 4.951 50 0 IJAARN COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2C)cc1OC ZINC000012538721 523722946 /nfs/dbraw/zinc/72/29/46/523722946.db2.gz NVTZRWVVVRVIGM-SFHVURJKSA-N 0 0 429.520 4.901 50 0 IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)c12 ZINC000252695003 523743302 /nfs/dbraw/zinc/74/33/02/523743302.db2.gz SWOZHASTTGNWIZ-SAABIXHNSA-N 0 0 443.540 4.900 50 0 biogenic IJAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000022002482 523747024 /nfs/dbraw/zinc/74/70/24/523747024.db2.gz JPTHWUKHQSSZHZ-FQEVSTJZSA-N 0 0 439.865 4.519 50 0 IJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928410 523753584 /nfs/dbraw/zinc/75/35/84/523753584.db2.gz BOJPNIYTQIUPCG-VWLOTQADSA-N 0 0 447.560 4.792 50 0 IJAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563747 523797867 /nfs/dbraw/zinc/79/78/67/523797867.db2.gz XONFMJRWFFOCJY-OAQYLSRUSA-N 0 0 443.551 4.714 50 0 IJAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016750103 523810842 /nfs/dbraw/zinc/81/08/42/523810842.db2.gz BLGTWQMYSXDOPF-QHCPKHFHSA-N 0 0 427.456 4.777 50 0 IJAARN CN(C(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C)c1ccc(F)cc1 ZINC000033278105 523840792 /nfs/dbraw/zinc/84/07/92/523840792.db2.gz PVYNCWQHOANVPU-UHFFFAOYSA-N 0 0 439.537 4.556 50 0 IJAARN CCc1ccc(-c2nc3n(n2)C(=O)N[C@](c2ccc(OC)cc2)(C(F)(F)F)S3)cc1 ZINC000012788554 523862096 /nfs/dbraw/zinc/86/20/96/523862096.db2.gz FTYKMGZTJDJXFK-IBGZPJMESA-N 0 0 434.443 4.595 50 0 IJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000021658615 523878201 /nfs/dbraw/zinc/87/82/01/523878201.db2.gz RKHJGZPJJBASLG-GOSISDBHSA-N 0 0 439.537 4.842 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3)C(=O)c3cccs3)C2)cc1OC ZINC000035835268 523880875 /nfs/dbraw/zinc/88/08/75/523880875.db2.gz UFOASWPEGDIIJJ-LJQANCHMSA-N 0 0 436.533 4.601 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)NC(C)(C)C)C2)cc1 ZINC000035944465 523881024 /nfs/dbraw/zinc/88/10/24/523881024.db2.gz RVQOXAFPUDPWNQ-FQEVSTJZSA-N 0 0 429.948 4.852 50 0 IJAARN CCc1ccc(C(=O)N2CCCN(c3nc(C)nc(CC)c3Cc3ccccc3)CC2)cc1 ZINC000035769287 523883817 /nfs/dbraw/zinc/88/38/17/523883817.db2.gz FDCJSUKSCPWTKM-UHFFFAOYSA-N 0 0 442.607 4.853 50 0 IJAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000012630811 523894028 /nfs/dbraw/zinc/89/40/28/523894028.db2.gz YKAIHJLGXPZVKJ-QFIPXVFZSA-N 0 0 449.576 4.607 50 0 biogenic IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C(=O)N(C)C)c3ccccc3)nc(=O)c12 ZINC000012739821 523906482 /nfs/dbraw/zinc/90/64/82/523906482.db2.gz VDZFONMQURCKFI-UGSOOPFHSA-N 0 0 429.611 4.803 50 0 IJAARN COc1ccc(CC(=O)Nc2nc3ccc(SC(F)F)cc3s2)c(OC)c1OC ZINC000012798471 523911939 /nfs/dbraw/zinc/91/19/39/523911939.db2.gz CLONRRWYGAPTQY-UHFFFAOYSA-N 0 0 440.493 4.818 50 0 IJAARN COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000012820061 523926894 /nfs/dbraw/zinc/92/68/94/523926894.db2.gz PIEJJBIOSKXLOT-UHFFFAOYSA-N 0 0 449.378 4.603 50 0 IJAARN COc1ccc(CN(C(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C2CC2)cc1 ZINC000040131348 523988221 /nfs/dbraw/zinc/98/82/21/523988221.db2.gz PIWKBZRBPRKIFF-UHFFFAOYSA-N 0 0 425.479 4.510 50 0 IJAARN COc1ccc(CN(C(=O)c2cnn3cccnc23)C2CC2)cc1OC1CCCCCC1 ZINC000012197148 523991565 /nfs/dbraw/zinc/99/15/65/523991565.db2.gz LOVXKTYEDUMFNO-UHFFFAOYSA-N 0 0 434.540 4.644 50 0 IJAARN COc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1F ZINC000012774648 523995453 /nfs/dbraw/zinc/99/54/53/523995453.db2.gz KEKOCMRXCXTKJJ-UHFFFAOYSA-N 0 0 443.544 4.933 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2cccc(F)c2)C2CCCCC2)c1C ZINC000036005064 524022800 /nfs/dbraw/zinc/02/28/00/524022800.db2.gz DEUVBFISEZQDSE-MRXNPFEDSA-N 0 0 428.504 4.604 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1F ZINC000012796724 524031360 /nfs/dbraw/zinc/03/13/60/524031360.db2.gz SQZIVLAGQDPXGS-UHFFFAOYSA-N 0 0 428.891 4.706 50 0 IJAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2nc3ccccc3n2C)cc1O ZINC000012431684 524038985 /nfs/dbraw/zinc/03/89/85/524038985.db2.gz DMHMYVVYHGRLIM-AREMUKBSSA-N 0 0 438.531 4.917 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(Cl)c2)cc1 ZINC000035527341 524063702 /nfs/dbraw/zinc/06/37/02/524063702.db2.gz WDYLZYSZRVNWTK-AREMUKBSSA-N 0 0 448.950 4.622 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)cc1 ZINC000021934958 524065514 /nfs/dbraw/zinc/06/55/14/524065514.db2.gz IHGQTKVWOLRQFC-UHFFFAOYSA-N 0 0 448.320 4.998 50 0 IJAARN COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1OC ZINC000012583777 524065798 /nfs/dbraw/zinc/06/57/98/524065798.db2.gz CEOZREHYTXSZDM-UHFFFAOYSA-N 0 0 441.940 4.996 50 0 IJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000021159593 524111769 /nfs/dbraw/zinc/11/17/69/524111769.db2.gz KRNWDSRRCLGKOP-UHFFFAOYSA-N 0 0 430.596 4.977 50 0 IJAARN Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)n2)c1 ZINC000021792069 524130424 /nfs/dbraw/zinc/13/04/24/524130424.db2.gz GQWNAEDLWNVFPG-LJQANCHMSA-N 0 0 444.535 4.832 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000017026366 524139396 /nfs/dbraw/zinc/13/93/96/524139396.db2.gz COGPDRZQHVZUMV-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000035533748 524140145 /nfs/dbraw/zinc/14/01/45/524140145.db2.gz AOJAAYGTCNJQLO-CQSZACIVSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n2C)c1 ZINC000015865324 524183883 /nfs/dbraw/zinc/18/38/83/524183883.db2.gz XPINGFDAIGQBIU-UHFFFAOYSA-N 0 0 434.565 4.762 50 0 IJAARN COc1cccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928000 524188923 /nfs/dbraw/zinc/18/89/23/524188923.db2.gz GMCHREJIGCMMKM-RPWUZVMVSA-N 0 0 430.479 4.916 50 0 IJAARN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)c1 ZINC000036062706 524204387 /nfs/dbraw/zinc/20/43/87/524204387.db2.gz DRGHUXISHWSAHR-UZLBHIALSA-N 0 0 431.374 4.698 50 0 IJAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1=O ZINC000012415997 524217920 /nfs/dbraw/zinc/21/79/20/524217920.db2.gz OZPDBOUAMGFCJH-LBPRGKRZSA-N 0 0 437.805 4.938 50 0 IJAARN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012783075 524223458 /nfs/dbraw/zinc/22/34/58/524223458.db2.gz UTPDOCNWSNBGQS-UHFFFAOYSA-N 0 0 432.307 4.813 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127831 524235646 /nfs/dbraw/zinc/23/56/46/524235646.db2.gz UUEPCYVUTLSWAX-JOCHJYFZSA-N 0 0 435.911 4.801 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c32)C1 ZINC000032960331 524238946 /nfs/dbraw/zinc/23/89/46/524238946.db2.gz XLUXEVCKNXPPPH-OAHLLOKOSA-N 0 0 428.920 4.665 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000034813511 524248649 /nfs/dbraw/zinc/24/86/49/524248649.db2.gz IGRQDBZZVSRVSO-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022791547 524274039 /nfs/dbraw/zinc/27/40/39/524274039.db2.gz HASKTEGSQSIDSF-IBGZPJMESA-N 0 0 437.971 4.517 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012604366 524356395 /nfs/dbraw/zinc/35/63/95/524356395.db2.gz RXKJABFNAGNCAN-GASCZTMLSA-N 0 0 435.446 4.790 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000012799083 524364569 /nfs/dbraw/zinc/36/45/69/524364569.db2.gz YXRKCJWPFJPJHH-GASCZTMLSA-N 0 0 429.567 4.500 50 0 IJAARN Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000013145989 524380138 /nfs/dbraw/zinc/38/01/38/524380138.db2.gz NYABGIWMHBFSEA-UHFFFAOYSA-N 0 0 442.968 4.746 50 0 IJAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COCc3ccccc3)c2)cc1 ZINC000035912342 524390775 /nfs/dbraw/zinc/39/07/75/524390775.db2.gz MOPORLHNMPBPFW-VWLOTQADSA-N 0 0 448.544 4.629 50 0 IJAARN COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1 ZINC000017102560 524391359 /nfs/dbraw/zinc/39/13/59/524391359.db2.gz ZFGKWPKPPGNPDD-NRFANRHFSA-N 0 0 438.549 4.638 50 0 IJAARN COc1ccccc1CCN1COc2ccc3c(=O)c(-c4ccccc4OC)coc3c2C1 ZINC000012442604 524411095 /nfs/dbraw/zinc/41/10/95/524411095.db2.gz VFRWNQLIHASGJP-UHFFFAOYSA-N 0 0 443.499 4.872 50 0 biogenic IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021810958 524412819 /nfs/dbraw/zinc/41/28/19/524412819.db2.gz BJHKPCUZFOYGBX-MKTSZQRWSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc(F)cc2)C(C)C)o1 ZINC000034704804 524415562 /nfs/dbraw/zinc/41/55/62/524415562.db2.gz PTXMESVCPJTPKF-UHFFFAOYSA-N 0 0 436.527 4.849 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000021099910 524429562 /nfs/dbraw/zinc/42/95/62/524429562.db2.gz XFVRRYFTUCVFPY-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1 ZINC000012524874 524432867 /nfs/dbraw/zinc/43/28/67/524432867.db2.gz UBTIMPPIKPDMAD-HHHXNRCGSA-N 0 0 443.591 4.952 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810918 524433120 /nfs/dbraw/zinc/43/31/20/524433120.db2.gz WUVGQPGHSLBDEY-CYBGMGPVSA-N 0 0 433.552 4.652 50 0 IJAARN C[C@H]1CCc2c(sc3nc(CCC(=O)N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882438 524436760 /nfs/dbraw/zinc/43/67/60/524436760.db2.gz ATKFIKLYEGLOBZ-KRWDZBQOSA-N 0 0 449.620 4.523 50 0 IJAARN Cc1cccc(CS(=O)(=O)c2ncc(CN(C(=O)CC(C)C)C(C)C)n2CC(C)C)c1 ZINC000036039628 524454470 /nfs/dbraw/zinc/45/44/70/524454470.db2.gz PLCXSCCIPDVYBF-UHFFFAOYSA-N 0 0 447.645 4.605 50 0 IJAARN COc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(-c4ccccc4)cs3)N3CCC[C@@]23C1=O ZINC000012596874 524454995 /nfs/dbraw/zinc/45/49/95/524454995.db2.gz CGCBBPVTULMYRE-YBXDKENTSA-N 0 0 445.588 4.757 50 0 IJAARN Cc1cccc(CSc2nc(CC(=O)NCc3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)c1 ZINC000033313184 524463170 /nfs/dbraw/zinc/46/31/70/524463170.db2.gz DUSJMKHOCYXKFO-UHFFFAOYSA-N 0 0 447.482 4.661 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1Cl ZINC000012478161 524482540 /nfs/dbraw/zinc/48/25/40/524482540.db2.gz SGZWTOCRARQEES-SFHVURJKSA-N 0 0 444.959 4.775 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(C(C)=O)s3)C2)cc1Cl ZINC000012763982 524483308 /nfs/dbraw/zinc/48/33/08/524483308.db2.gz KOYHDHOKVNKUPV-HNNXBMFYSA-N 0 0 448.972 4.884 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141974 524529911 /nfs/dbraw/zinc/52/99/11/524529911.db2.gz XDHTVMIZDKQGJD-FQEVSTJZSA-N 0 0 430.552 4.623 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000020945586 524535252 /nfs/dbraw/zinc/53/52/52/524535252.db2.gz IIPOGMZGFVNKJG-SFTDATJTSA-N 0 0 429.564 4.584 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(-c3nnc(C(=O)Nc4cccc(F)c4)s3)cc2)cc1 ZINC000033128772 524558366 /nfs/dbraw/zinc/55/83/66/524558366.db2.gz RDSMAHILDGFLDJ-UHFFFAOYSA-N 0 0 446.507 4.835 50 0 IJAARN Cc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)C[C@H]2C)c1 ZINC000020377091 524563672 /nfs/dbraw/zinc/56/36/72/524563672.db2.gz GPAWRAGPRIZZJR-HXUWFJFHSA-N 0 0 434.547 4.968 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2cccc(F)c2)n1 ZINC000021523698 524575032 /nfs/dbraw/zinc/57/50/32/524575032.db2.gz IKAROFGIIBHVPQ-QFIPXVFZSA-N 0 0 445.523 4.860 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)cc1Cl ZINC000035598131 524578573 /nfs/dbraw/zinc/57/85/73/524578573.db2.gz KVGOSLTWMPBDPQ-UHFFFAOYSA-N 0 0 435.875 4.712 50 0 IJAARN C[C@@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021863925 524587973 /nfs/dbraw/zinc/58/79/73/524587973.db2.gz HGEOGQCJLDWETJ-UZTOHYMASA-N 0 0 445.563 4.825 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)c1 ZINC000017101173 524605364 /nfs/dbraw/zinc/60/53/64/524605364.db2.gz NQZDHIARKGAKET-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN C[C@H]1CN(Cc2csc(NC(=O)c3ccc(SC(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000012908465 524645319 /nfs/dbraw/zinc/64/53/19/524645319.db2.gz JNMDDXKSLRDQQS-RYUDHWBXSA-N 0 0 431.505 4.617 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2C)cc1CN1CCn2c(nc3ccccc32)C1 ZINC000021800233 524647153 /nfs/dbraw/zinc/64/71/53/524647153.db2.gz FJPVCIYEVQOMSW-UHFFFAOYSA-N 0 0 426.520 4.621 50 0 IJAARN COc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1OC(F)F ZINC000012776081 524648851 /nfs/dbraw/zinc/64/88/51/524648851.db2.gz IQBNRRQWXAJQCU-UHFFFAOYSA-N 0 0 435.452 4.841 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000012774966 524668495 /nfs/dbraw/zinc/66/84/95/524668495.db2.gz UHZLVLGWUDEGMW-UHFFFAOYSA-N 0 0 431.330 4.867 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 ZINC000032888481 524670574 /nfs/dbraw/zinc/67/05/74/524670574.db2.gz INESZPLWBFDVHS-UHFFFAOYSA-N 0 0 447.516 4.948 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000239358378 524714858 /nfs/dbraw/zinc/71/48/58/524714858.db2.gz NEDSRNYMOAIJTG-XYPHTWIQSA-N 0 0 430.426 4.883 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000035527310 524834330 /nfs/dbraw/zinc/83/43/30/524834330.db2.gz WOYVDBKIOZDURL-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000016047492 524853235 /nfs/dbraw/zinc/85/32/35/524853235.db2.gz ZDYIUBCTNQAIEM-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN Cc1cccc([C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924165 524855774 /nfs/dbraw/zinc/85/57/74/524855774.db2.gz FQXIWDGDVLUVPH-LOSJGSFVSA-N 0 0 428.507 4.894 50 0 IJAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000012500579 524898734 /nfs/dbraw/zinc/89/87/34/524898734.db2.gz XEWAZZHINXVIHO-RLWLMLJZSA-N 0 0 444.487 4.717 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012928436 524899753 /nfs/dbraw/zinc/89/97/53/524899753.db2.gz GQSBFGGRISSNBA-UHFFFAOYSA-N 0 0 446.981 4.709 50 0 IJAARN C[C@H](NC(=O)CCC(=O)c1ccc(I)cc1)c1cccc(Cl)c1 ZINC000012787743 524926607 /nfs/dbraw/zinc/92/66/07/524926607.db2.gz LQBFFVFIGZOQEA-LBPRGKRZSA-N 0 0 441.696 4.785 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1C ZINC000021863789 524931099 /nfs/dbraw/zinc/93/10/99/524931099.db2.gz QFUKONVORRVJIN-AREMUKBSSA-N 0 0 431.536 4.843 50 0 IJAARN C[C@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl ZINC000022917463 524953236 /nfs/dbraw/zinc/95/32/36/524953236.db2.gz HGSQYOQVHVOMNE-HNNXBMFYSA-N 0 0 440.802 4.642 50 0 IJAARN COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)n1 ZINC000000696854 524959043 /nfs/dbraw/zinc/95/90/43/524959043.db2.gz QFWWFTSCIAXUHE-UHFFFAOYSA-N 0 0 444.491 4.521 50 0 IJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccs2)cc1 ZINC000035598300 524971493 /nfs/dbraw/zinc/97/14/93/524971493.db2.gz RJRDIIPBROHYFD-HXUWFJFHSA-N 0 0 439.533 4.593 50 0 IJAARN Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927361 525065467 /nfs/dbraw/zinc/06/54/67/525065467.db2.gz WELCMMDEAOPJGH-XMMPIXPASA-N 0 0 432.501 4.755 50 0 IJAARN Cc1cc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)nc(C(C)C)n1 ZINC000012753481 525076260 /nfs/dbraw/zinc/07/62/60/525076260.db2.gz OAYNSZBMXJAILA-UHFFFAOYSA-N 0 0 447.564 4.741 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000033106844 525129688 /nfs/dbraw/zinc/12/96/88/525129688.db2.gz MUVYMMFGSMUONX-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811038 525135330 /nfs/dbraw/zinc/13/53/30/525135330.db2.gz WCMSCQYCSNUKEM-XCUQADKLSA-N 0 0 433.552 4.652 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2nc(-c3cccs3)no2)Cc2ccccc2)cc1OC ZINC000012371226 525188518 /nfs/dbraw/zinc/18/85/18/525188518.db2.gz UZCPHAZHUHUVRN-GOSISDBHSA-N 0 0 449.532 4.572 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(Br)c1 ZINC000021018873 525206153 /nfs/dbraw/zinc/20/61/53/525206153.db2.gz GSFKZQWZWDRFOZ-NRFANRHFSA-N 0 0 435.321 4.968 50 0 IJAARN CS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccc3ccccc3c2)cc1 ZINC000035770119 525231875 /nfs/dbraw/zinc/23/18/75/525231875.db2.gz NBAKZRXJSHFKBH-UHFFFAOYSA-N 0 0 435.501 4.614 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000012820994 525238281 /nfs/dbraw/zinc/23/82/81/525238281.db2.gz LONBEWPPBNICRX-GHTZIAJQSA-N 0 0 441.531 4.707 50 0 IJAARN CS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1Cl ZINC000012913298 525239166 /nfs/dbraw/zinc/23/91/66/525239166.db2.gz DGRXJDJONXPGEO-UHFFFAOYSA-N 0 0 446.937 4.543 50 0 IJAARN CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)ccc1Cl ZINC000021319534 525240006 /nfs/dbraw/zinc/24/00/06/525240006.db2.gz ZXLZDKJZQHOVRV-UHFFFAOYSA-N 0 0 431.926 4.601 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)s1 ZINC000033113992 525264400 /nfs/dbraw/zinc/26/44/00/525264400.db2.gz WTEVXYYETFVIED-VAWYXSNFSA-N 0 0 432.549 4.518 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 ZINC000012922525 525275479 /nfs/dbraw/zinc/27/54/79/525275479.db2.gz GUPVNQUHXFHRAD-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715567 525277102 /nfs/dbraw/zinc/27/71/02/525277102.db2.gz YIMZSXQIZVPXGV-RUZDIDTESA-N 0 0 426.472 4.693 50 0 IJAARN Cc1ccc(Nc2nc(Nc3cccc4ccccc43)nc(N3CCOCC3)n2)cc1C ZINC000012235168 525327357 /nfs/dbraw/zinc/32/73/57/525327357.db2.gz PPSAHFCGILTBLE-UHFFFAOYSA-N 0 0 426.524 4.965 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000012821001 525352520 /nfs/dbraw/zinc/35/25/20/525352520.db2.gz LONBEWPPBNICRX-NQIIRXRSSA-N 0 0 441.531 4.707 50 0 IJAARN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022917865 525381410 /nfs/dbraw/zinc/38/14/10/525381410.db2.gz HSMGNJFIAORGRB-XMMPIXPASA-N 0 0 449.620 4.963 50 0 IJAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc(Cl)cc2)c2cccs2)ccc1F ZINC000020604194 525425643 /nfs/dbraw/zinc/42/56/43/525425643.db2.gz YLKAAUMSWPGBJO-LJQANCHMSA-N 0 0 437.945 4.794 50 0 IJAARN Cc1ccc(OC[C@@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000014247281 525431364 /nfs/dbraw/zinc/43/13/64/525431364.db2.gz BTZAIWATBOSCNA-CYBMUJFWSA-N 0 0 431.867 4.550 50 0 IJAARN COc1ccc2c(Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc(=O)oc2c1 ZINC000012817009 525504751 /nfs/dbraw/zinc/50/47/51/525504751.db2.gz DMJFCJKXSFKGAF-UHFFFAOYSA-N 0 0 430.485 4.597 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cc(F)cc(F)c3)CC1)=Nc1ccccc1O2 ZINC000034813142 525508840 /nfs/dbraw/zinc/50/88/40/525508840.db2.gz YAUOGEHCHWOBRH-UHFFFAOYSA-N 0 0 449.457 4.615 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012798112 525530811 /nfs/dbraw/zinc/53/08/11/525530811.db2.gz JQDZQHDAMPBSJU-MRXNPFEDSA-N 0 0 425.550 4.529 50 0 IJAARN Cc1c(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc2nc(C3CC3)nc(C)c12 ZINC000012892057 525578205 /nfs/dbraw/zinc/57/82/05/525578205.db2.gz CNRJOJJENUGSDX-KRWDZBQOSA-N 0 0 434.565 4.676 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(COc4cccc(C)c4)n3)cc2)cc1 ZINC000021702572 525596926 /nfs/dbraw/zinc/59/69/26/525596926.db2.gz UNUPMGBQMBNFHW-UHFFFAOYSA-N 0 0 435.505 4.733 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)NC(=O)NCc1ccco1)cc2-c1ccccc1 ZINC000012541486 525607384 /nfs/dbraw/zinc/60/73/84/525607384.db2.gz RKGBMUNMEJSZAR-UHFFFAOYSA-N 0 0 447.516 4.622 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)CCCNC(=O)c1ccsc1 ZINC000012507774 525609381 /nfs/dbraw/zinc/60/93/81/525609381.db2.gz KCZTZDWJJIHSFA-UHFFFAOYSA-N 0 0 436.512 4.659 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)cc2NC1=O ZINC000021449090 525609808 /nfs/dbraw/zinc/60/98/08/525609808.db2.gz YYFYFSKSLRGVPH-NSHDSACASA-N 0 0 446.290 4.939 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(Br)c1)[nH]c1c2C(=O)CCC1 ZINC000020990318 525615757 /nfs/dbraw/zinc/61/57/57/525615757.db2.gz VJYKGXSRWAHAQX-UHFFFAOYSA-N 0 0 433.327 4.559 50 0 IJAARN C[C@@H]1Oc2ccccc2N(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1=O ZINC000023126528 525616864 /nfs/dbraw/zinc/61/68/64/525616864.db2.gz TVLQSBALLVOPRI-KRWDZBQOSA-N 0 0 427.460 4.630 50 0 IJAARN C[C@@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)cc2NC1=O ZINC000012522239 525626660 /nfs/dbraw/zinc/62/66/60/525626660.db2.gz VKVNYXLXMMDLFP-LBPRGKRZSA-N 0 0 435.471 4.991 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(F)c(F)c3)c2c1 ZINC000020940089 525631636 /nfs/dbraw/zinc/63/16/36/525631636.db2.gz MQGFEDJVEDFZNX-UHFFFAOYSA-N 0 0 449.457 4.539 50 0 IJAARN Cc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012883185 525663732 /nfs/dbraw/zinc/66/37/32/525663732.db2.gz XMYLSNUUHZYFCC-IBGZPJMESA-N 0 0 443.572 4.941 50 0 IJAARN Cc1c(C(=O)[O-])sc2ncnc(NCC3CC[NH+](Cc4ccccc4Cl)CC3)c12 ZINC000021715907 525668108 /nfs/dbraw/zinc/66/81/08/525668108.db2.gz RYVRKVMRGJXLAL-UHFFFAOYSA-N 0 0 430.961 4.675 50 0 IJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3cccc(Cl)c3)cc(=O)n2o1 ZINC000041077223 525672666 /nfs/dbraw/zinc/67/26/66/525672666.db2.gz DBNOJTIKNUXRQS-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)[C@H](C)Oc4cccc(C)c4)cc3)cc(=O)n2o1 ZINC000035429544 525675122 /nfs/dbraw/zinc/67/51/22/525675122.db2.gz TVKZJSOTSMFZCG-KRWDZBQOSA-N 0 0 449.532 4.603 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3ccc(C)c(C)c3)cc(=O)n2o1 ZINC000020583226 525675833 /nfs/dbraw/zinc/67/58/33/525675833.db2.gz GRFAHZYMIQLZGQ-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)COc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000012322137 525680450 /nfs/dbraw/zinc/68/04/50/525680450.db2.gz CIQYGCKGAYXBHV-UHFFFAOYSA-N 0 0 426.538 4.536 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)CC(C)C)CC3)c3ccccc3n2)c(C)c1 ZINC000012818407 525719049 /nfs/dbraw/zinc/71/90/49/525719049.db2.gz XJLOQLJVRMPRSC-UHFFFAOYSA-N 0 0 429.564 4.849 50 0 IJAARN Cc1ccc(-c2cc3nc(S[C@@H]4CCOC4=O)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000012807354 525739741 /nfs/dbraw/zinc/73/97/41/525739741.db2.gz LOBVWMJFPMXSHH-LJQANCHMSA-N 0 0 448.569 4.889 50 0 IJAARN Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)c2cccnc2)cc1C ZINC000015839794 525767595 /nfs/dbraw/zinc/76/75/95/525767595.db2.gz ZQUYTKGKHXZZIB-JOCHJYFZSA-N 0 0 425.326 4.746 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000012758173 525780000 /nfs/dbraw/zinc/78/00/00/525780000.db2.gz JWJOSFBFFBHHKO-OAQYLSRUSA-N 0 0 434.590 4.894 50 0 IJAARN COc1cccc(C(=O)N(Cc2cc(-c3ccc(OC)cc3OC)on2)Cc2ccco2)c1 ZINC000036001800 525793158 /nfs/dbraw/zinc/79/31/58/525793158.db2.gz CALFBGFTRCNMEI-UHFFFAOYSA-N 0 0 448.475 4.803 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccs1 ZINC000021811797 525793813 /nfs/dbraw/zinc/79/38/13/525793813.db2.gz CQEUKFOJTDQBIC-QHCPKHFHSA-N 0 0 425.554 4.550 50 0 IJAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Oc4ccccc4)cc2)C(=O)N3)cc1 ZINC000020727498 525828152 /nfs/dbraw/zinc/82/81/52/525828152.db2.gz ZHVXRFXZCRRVGT-OAQYLSRUSA-N 0 0 439.475 4.568 50 0 IJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn32)c1 ZINC000012342166 525839866 /nfs/dbraw/zinc/83/98/66/525839866.db2.gz QKIMNFUBQCWBMV-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN Cc1ccc(-c2nnco2)cc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000095367860 525863912 /nfs/dbraw/zinc/86/39/12/525863912.db2.gz ZGZUQHIUWNVUJL-INIZCTEOSA-N 0 0 448.426 4.505 50 0 IJAARN COc1cccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)C[C@H]2C)c1 ZINC000034812617 525868222 /nfs/dbraw/zinc/86/82/22/525868222.db2.gz UWVPOYKDMCFFML-LJQANCHMSA-N 0 0 441.531 4.655 50 0 IJAARN C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NC1CCCC1 ZINC000012529685 525878189 /nfs/dbraw/zinc/87/81/89/525878189.db2.gz TXESCXLZZZOBKC-CLVCIHKQSA-N 0 0 435.549 4.605 50 0 IJAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)NC5CCCCCC5)CC4)c32)cc1 ZINC000033084778 525888475 /nfs/dbraw/zinc/88/84/75/525888475.db2.gz AGIAVHHNELXZMX-UHFFFAOYSA-N 0 0 433.556 4.649 50 0 IJAARN Cc1c([C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cnn1C ZINC000020615935 525912739 /nfs/dbraw/zinc/91/27/39/525912739.db2.gz ANBFFLLNFSVNIG-NSHDSACASA-N 0 0 433.459 4.639 50 0 IJAARN Cc1c([C@H](C)NC(=O)c2cccc(N3CCOCC3)c2)cnn1-c1cccc2ccccc21 ZINC000012305413 525915970 /nfs/dbraw/zinc/91/59/70/525915970.db2.gz YPCLUDMWFVGJTH-IBGZPJMESA-N 0 0 440.547 4.662 50 0 IJAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccccc3Cl)CN1C(=O)CN(C1CCCC1)C2=O ZINC000012867420 525918117 /nfs/dbraw/zinc/91/81/17/525918117.db2.gz RNOYJOJCIVFFEG-BCHFMIIMSA-N 0 0 447.966 4.795 50 0 biogenic IJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000012907048 525918580 /nfs/dbraw/zinc/91/85/80/525918580.db2.gz DAOYDNZRLOHFPB-CQSZACIVSA-N 0 0 438.391 4.544 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000021339048 525957957 /nfs/dbraw/zinc/95/79/57/525957957.db2.gz UKQHOBZSOAZJKX-AWEZNQCLSA-N 0 0 430.501 4.553 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000020676376 525958105 /nfs/dbraw/zinc/95/81/05/525958105.db2.gz LNUOEXGXHNBOIK-UHFFFAOYSA-N 0 0 430.501 4.553 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398166 525999551 /nfs/dbraw/zinc/99/95/51/525999551.db2.gz ZUDUZUWSCJVPHR-NRFANRHFSA-N 0 0 432.593 4.707 50 0 IJAARN COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(C)cc2)c1 ZINC000021361353 526002360 /nfs/dbraw/zinc/00/23/60/526002360.db2.gz IQUQBAWKFXFJSS-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN C[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1cccs1 ZINC000021674853 526003939 /nfs/dbraw/zinc/00/39/39/526003939.db2.gz RLHPFXIPVVESKX-GFCCVEGCSA-N 0 0 427.576 4.510 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccc(F)cc4)c3c2=O)c1 ZINC000035400453 526109617 /nfs/dbraw/zinc/10/96/17/526109617.db2.gz DYMVWTCRHVLSQY-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(I)cc3)c(=O)oc2c1 ZINC000012784274 526117816 /nfs/dbraw/zinc/11/78/16/526117816.db2.gz BOZLZJUZAYGAHK-UHFFFAOYSA-N 0 0 447.272 4.586 50 0 IJAARN Cc1ccc2c(C)c(CCC(=O)Nc3cccc(I)c3)c(=O)oc2c1 ZINC000012800805 526120918 /nfs/dbraw/zinc/12/09/18/526120918.db2.gz RFLYRMXSAYROMB-UHFFFAOYSA-N 0 0 447.272 4.586 50 0 IJAARN COc1cccc(N([C@@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2F)c1 ZINC000036034050 526135335 /nfs/dbraw/zinc/13/53/35/526135335.db2.gz NOZPLLHZKRGLCN-INIZCTEOSA-N 0 0 445.512 4.808 50 0 IJAARN COc1cccc(N2CCN(CC(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 ZINC000035828011 526151796 /nfs/dbraw/zinc/15/17/96/526151796.db2.gz XTDGGNQZDBOEPQ-UHFFFAOYSA-N 0 0 431.561 4.647 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012888484 526168008 /nfs/dbraw/zinc/16/80/08/526168008.db2.gz WVJUVBZWKKEEJZ-UHFFFAOYSA-N 0 0 436.459 4.548 50 0 IJAARN Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000020604179 526174564 /nfs/dbraw/zinc/17/45/64/526174564.db2.gz JUELFIZIHFHHLG-NRFANRHFSA-N 0 0 431.554 4.757 50 0 IJAARN Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1NC(=O)c1nsc2ccccc21 ZINC000035510329 526186517 /nfs/dbraw/zinc/18/65/17/526186517.db2.gz RPZNEAADHKELCL-UHFFFAOYSA-N 0 0 445.500 4.516 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1OC ZINC000022507664 526195928 /nfs/dbraw/zinc/19/59/28/526195928.db2.gz IMUGLAOXZXDQAY-UHFFFAOYSA-N 0 0 431.492 4.827 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)c1 ZINC000021851151 526213648 /nfs/dbraw/zinc/21/36/48/526213648.db2.gz XKYZHKQRFOAQON-OAHLLOKOSA-N 0 0 432.596 4.808 50 0 IJAARN CSc1nnc(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2C)n1-c1ccc(F)cc1 ZINC000012247232 526227819 /nfs/dbraw/zinc/22/78/19/526227819.db2.gz PXSJVSBIHQEBNE-UHFFFAOYSA-N 0 0 443.935 4.544 50 0 IJAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1NC(=O)c1ccco1 ZINC000012786794 526228777 /nfs/dbraw/zinc/22/87/77/526228777.db2.gz DTKNPWIDJDYGHX-OAHLLOKOSA-N 0 0 438.553 4.781 50 0 IJAARN COc1cccc(Oc2c(CN(C(=O)NC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000035980343 526241546 /nfs/dbraw/zinc/24/15/46/526241546.db2.gz CXKLSOQBZBNXEN-UHFFFAOYSA-N 0 0 434.540 4.970 50 0 IJAARN Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1C ZINC000012712423 526245059 /nfs/dbraw/zinc/24/50/59/526245059.db2.gz DPCKMYBPLRRSMS-HXUWFJFHSA-N 0 0 430.504 4.519 50 0 IJAARN O=C(NCCCn1c2ncccc2nc1-c1ccc(F)cc1)Nc1cc(F)ccc1F ZINC000033025570 526283618 /nfs/dbraw/zinc/28/36/18/526283618.db2.gz GHYMDJBTCDABTC-UHFFFAOYSA-N 0 0 425.414 4.727 50 0 IJAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc12 ZINC000012902454 526293098 /nfs/dbraw/zinc/29/30/98/526293098.db2.gz QZTDFMLFTKCYPL-UHFFFAOYSA-N 0 0 429.428 4.834 50 0 biogenic IJAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000016689618 526313194 /nfs/dbraw/zinc/31/31/94/526313194.db2.gz MNCXSADLHVFAEP-UHFFFAOYSA-N 0 0 425.484 4.951 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4C[C@H](C)C[C@H](C)C4)c3)n2)o1 ZINC000023336372 526315053 /nfs/dbraw/zinc/31/50/53/526315053.db2.gz SUYHHJOFOYXIEO-HDICACEKSA-N 0 0 435.572 4.937 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000012540934 526388216 /nfs/dbraw/zinc/38/82/16/526388216.db2.gz UYIUESCIMJSFHM-UHFFFAOYSA-N 0 0 447.516 4.826 50 0 IJAARN O=C(Oc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000018066198 526446357 /nfs/dbraw/zinc/44/63/57/526446357.db2.gz OLVTUVGURROYJI-TUACAJSNSA-N 0 0 425.484 4.979 50 0 IJAARN O=C(CCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000012797604 526452708 /nfs/dbraw/zinc/45/27/08/526452708.db2.gz YRHNHNTXXTVAPS-GOSISDBHSA-N 0 0 442.968 4.984 50 0 IJAARN Cc1csc2nc(CSc3nc4ccc(NC(=O)C(C)(C)C)cc4s3)cc(=O)n12 ZINC000020984201 526456811 /nfs/dbraw/zinc/45/68/11/526456811.db2.gz SAQIRTAKXMMAGH-UHFFFAOYSA-N 0 0 444.607 4.951 50 0 IJAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000012638989 526496343 /nfs/dbraw/zinc/49/63/43/526496343.db2.gz POADQWQBZRCATI-UHFFFAOYSA-N 0 0 447.512 4.877 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000022417901 526521507 /nfs/dbraw/zinc/52/15/07/526521507.db2.gz HKQUJNJSSCXANA-UHFFFAOYSA-N 0 0 448.441 4.670 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000013145767 526521962 /nfs/dbraw/zinc/52/19/62/526521962.db2.gz NMALEVDBYBEFOA-UHFFFAOYSA-N 0 0 446.297 4.869 50 0 IJAARN O=C(CCc1ccccn1)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011844172 526614909 /nfs/dbraw/zinc/61/49/09/526614909.db2.gz KJNZBJQUURRMSY-OAQYLSRUSA-N 0 0 431.511 4.698 50 0 IJAARN O=C(c1cc2ccsc2n1Cc1cccc(F)c1)N1CCN(Cc2ccccc2)CC1 ZINC000035843868 526643474 /nfs/dbraw/zinc/64/34/74/526643474.db2.gz PDCKOHGDCAHZJZ-UHFFFAOYSA-N 0 0 433.552 4.848 50 0 IJAARN O=C(CCc1nc(-c2ccco2)no1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000012891502 526646683 /nfs/dbraw/zinc/64/66/83/526646683.db2.gz ULJVMQLECQRTCO-JOABDTNPSA-N 0 0 425.488 4.676 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1cc(F)cc(F)c1 ZINC000021721711 526651359 /nfs/dbraw/zinc/65/13/59/526651359.db2.gz HCTWSUWLAVBBRC-UHFFFAOYSA-N 0 0 432.477 4.821 50 0 IJAARN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012701608 526651780 /nfs/dbraw/zinc/65/17/80/526651780.db2.gz IUFOGMMIGOSOAQ-HXUWFJFHSA-N 0 0 431.463 4.957 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012562416 526658124 /nfs/dbraw/zinc/65/81/24/526658124.db2.gz SBFGIXXMUBXADV-UHFFFAOYSA-N 0 0 430.335 4.930 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000001068772 526676783 /nfs/dbraw/zinc/67/67/83/526676783.db2.gz XZXUORQMLLJMFC-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)c12 ZINC000022839271 526677796 /nfs/dbraw/zinc/67/77/96/526677796.db2.gz ZIIGMHIDVVIWOK-UHFFFAOYSA-N 0 0 444.466 4.616 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035527240 526700137 /nfs/dbraw/zinc/70/01/37/526700137.db2.gz JFBVHQQLTGWPRT-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN O=C(c1ccc(N2CCOc3ccc(Cl)cc32)s1)N1CCN(c2ccccc2)CC1 ZINC000020992069 526700425 /nfs/dbraw/zinc/70/04/25/526700425.db2.gz HOVPPAFPBYGUHM-UHFFFAOYSA-N 0 0 439.968 4.894 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000035527282 526701780 /nfs/dbraw/zinc/70/17/80/526701780.db2.gz ZRDKJLOOVCLBMX-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000035980960 526712299 /nfs/dbraw/zinc/71/22/99/526712299.db2.gz YQEWXTHLBCUSES-HXUWFJFHSA-N 0 0 446.469 4.523 50 0 IJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)NCc1ccccc1OC(F)(F)F ZINC000012797223 526729492 /nfs/dbraw/zinc/72/94/92/526729492.db2.gz HRGQUVVVMYWPKP-UHFFFAOYSA-N 0 0 449.498 4.691 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462035 526731374 /nfs/dbraw/zinc/73/13/74/526731374.db2.gz FJMIWWZOCSYGKM-UHFFFAOYSA-N 0 0 443.532 4.981 50 0 biogenic,in-vitro IJAARN O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158854 526731753 /nfs/dbraw/zinc/73/17/53/526731753.db2.gz BCDDLZXSOQJKOW-UHFFFAOYSA-N 0 0 442.538 4.757 50 0 IJAARN O=C(c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)N1CCN(c2ccccc2F)CC1 ZINC000035560143 526736689 /nfs/dbraw/zinc/73/66/89/526736689.db2.gz GANLVCDIBLCBJL-UHFFFAOYSA-N 0 0 448.929 4.840 50 0 IJAARN Cc1oc2c(cc3c(C)c(CC(=O)NC[C@@H]4CCCO4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000012887553 526779388 /nfs/dbraw/zinc/77/93/88/526779388.db2.gz PBWNCVITPIMNKS-IBGZPJMESA-N 0 0 445.515 4.969 50 0 biogenic IJAARN O=C(c1ccccn1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012774078 526813413 /nfs/dbraw/zinc/81/34/13/526813413.db2.gz LAHMMDAYVFPGGU-MRXNPFEDSA-N 0 0 444.354 4.793 50 0 IJAARN O=C(CNC(=O)C1CCCCC1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000012549282 526829504 /nfs/dbraw/zinc/82/95/04/526829504.db2.gz VCARSNYNJOUWGR-HXUWFJFHSA-N 0 0 437.971 4.766 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1Cc2c(c(-c3ccncc3)ccc2F)O1 ZINC000011995489 526847573 /nfs/dbraw/zinc/84/75/73/526847573.db2.gz UTMILBQMCFVKAG-GOSISDBHSA-N 0 0 429.451 4.585 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000012908742 526863919 /nfs/dbraw/zinc/86/39/19/526863919.db2.gz GNGXCTOFOHSKJH-QFIPXVFZSA-N 0 0 429.545 4.698 50 0 IJAARN O=C(c1cncs1)N(Cc1cccc(OCCc2cccs2)c1)C[C@H]1CCCO1 ZINC000012455905 526886146 /nfs/dbraw/zinc/88/61/46/526886146.db2.gz UMTAXOORYDUDSN-LJQANCHMSA-N 0 0 428.579 4.648 50 0 IJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000021135181 526907653 /nfs/dbraw/zinc/90/76/53/526907653.db2.gz DLDVEDFFEXNEQO-UHFFFAOYSA-N 0 0 446.573 4.864 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000035480973 526914281 /nfs/dbraw/zinc/91/42/81/526914281.db2.gz NCOGZUPCLJCHGH-HSZRJFAPSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398622 526914726 /nfs/dbraw/zinc/91/47/26/526914726.db2.gz VRQLAIZQPBGTLE-XMMPIXPASA-N 0 0 430.527 4.693 50 0 IJAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020493841 526932978 /nfs/dbraw/zinc/93/29/78/526932978.db2.gz FAGOZVMKAWMACL-UHFFFAOYSA-N 0 0 449.359 4.895 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)Nc1cccc2ncccc21 ZINC000015979822 526947878 /nfs/dbraw/zinc/94/78/78/526947878.db2.gz SLYMKFWIXZWXHZ-UHFFFAOYSA-N 0 0 436.103 4.777 50 0 IJAARN O=C1CCCN1c1ccc(NCc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000012522180 526980256 /nfs/dbraw/zinc/98/02/56/526980256.db2.gz MLHITMUPYWEERQ-UHFFFAOYSA-N 0 0 434.496 4.530 50 0 IJAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000012882429 526988676 /nfs/dbraw/zinc/98/86/76/526988676.db2.gz LPAFDESHWMTOAR-UHFFFAOYSA-N 0 0 442.487 4.949 50 0 IJAARN Cc1nc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)sc1-c1ccccn1 ZINC000012547554 526994186 /nfs/dbraw/zinc/99/41/86/526994186.db2.gz SJYZJCORVXDYIS-UHFFFAOYSA-N 0 0 441.516 4.993 50 0 IJAARN O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)NC1CCCCCC1 ZINC000012791840 527030545 /nfs/dbraw/zinc/03/05/45/527030545.db2.gz GOWWMSGASNLUIS-UHFFFAOYSA-N 0 0 433.624 4.785 50 0 IJAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012600874 527039430 /nfs/dbraw/zinc/03/94/30/527039430.db2.gz QNEKFZAEKVNRBB-UHFFFAOYSA-N 0 0 433.573 4.956 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035482968 527040660 /nfs/dbraw/zinc/04/06/60/527040660.db2.gz LMNNCYAPBKXFQC-OFNKIYASSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc2nsnc21 ZINC000019077802 527077610 /nfs/dbraw/zinc/07/76/10/527077610.db2.gz CPGHLPRFYMUTGK-UHFFFAOYSA-N 0 0 444.545 4.670 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012635903 527081855 /nfs/dbraw/zinc/08/18/55/527081855.db2.gz KVWMFBNEWJXUPT-UHFFFAOYSA-N 0 0 433.581 4.535 50 0 IJAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1cccc(Cl)c1 ZINC000012376076 527087846 /nfs/dbraw/zinc/08/78/46/527087846.db2.gz RPVBSJDYBSJVQC-OAQYLSRUSA-N 0 0 449.860 4.560 50 0 IJAARN O=C(CSc1nncs1)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 ZINC000008862504 527092944 /nfs/dbraw/zinc/09/29/44/527092944.db2.gz CXSHQDQYVVLIJT-UHFFFAOYSA-N 0 0 433.562 4.610 50 0 IJAARN O=S(=O)(Cc1cccc(Cl)c1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767575 527193712 /nfs/dbraw/zinc/19/37/12/527193712.db2.gz DEFZDPKWRHYCMN-JOCHJYFZSA-N 0 0 447.025 4.621 50 0 IJAARN Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)Nc1ccc(Br)cc1 ZINC000035477110 527200113 /nfs/dbraw/zinc/20/01/13/527200113.db2.gz QLUWTQJITPZBJM-UHFFFAOYSA-N 0 0 442.361 4.733 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012681509 527223697 /nfs/dbraw/zinc/22/36/97/527223697.db2.gz CECXWDUNTRTCHM-UHFFFAOYSA-N 0 0 428.517 4.980 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531245 527240018 /nfs/dbraw/zinc/24/00/18/527240018.db2.gz GCRILCSZNBZOIL-OAQYLSRUSA-N 0 0 440.421 4.791 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531246 527240942 /nfs/dbraw/zinc/24/09/42/527240942.db2.gz GCRILCSZNBZOIL-NRFANRHFSA-N 0 0 440.421 4.791 50 0 IJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000012543046 527265990 /nfs/dbraw/zinc/26/59/90/527265990.db2.gz FZMCBGCNUQPLBQ-UHFFFAOYSA-N 0 0 441.862 4.713 50 0 IJAARN O=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012361569 527276343 /nfs/dbraw/zinc/27/63/43/527276343.db2.gz BFPYXGTUKAAMSR-LJQANCHMSA-N 0 0 443.302 4.867 50 0 IJAARN O=C(Cc1cccs1)N(Cc1ccccc1F)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000035839480 527299729 /nfs/dbraw/zinc/29/97/29/527299729.db2.gz IKWBYRIUGOPNLC-QGZVFWFLSA-N 0 0 426.488 4.791 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C(c1ccccc1)c1ccccc1 ZINC000012688912 527300800 /nfs/dbraw/zinc/30/08/00/527300800.db2.gz UZEMGUSLXZWTQV-UHFFFAOYSA-N 0 0 429.545 4.904 50 0 IJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009516197 527328918 /nfs/dbraw/zinc/32/89/18/527328918.db2.gz AHAYFEZDHFJMPQ-UHFFFAOYSA-N 0 0 428.517 4.745 50 0 IJAARN O=C(Cc1cscn1)N1CCC(c2nc(-c3cccnc3)ncc2-c2ccccc2)CC1 ZINC000012149072 527339824 /nfs/dbraw/zinc/33/98/24/527339824.db2.gz OPWCDZJTMOHVDA-UHFFFAOYSA-N 0 0 441.560 4.611 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000015827890 527343808 /nfs/dbraw/zinc/34/38/08/527343808.db2.gz GLEUSHQUKUYOOW-UHFFFAOYSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1cccc(OC2CCCC2)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000023100751 527365556 /nfs/dbraw/zinc/36/55/56/527365556.db2.gz NTSXKWSOBJOYGB-UHFFFAOYSA-N 0 0 425.506 4.827 50 0 IJAARN O=C(Nc1ccccc1Br)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012771768 527408062 /nfs/dbraw/zinc/40/80/62/527408062.db2.gz DLXJXMMPMCLZRV-UHFFFAOYSA-N 0 0 426.314 4.528 50 0 IJAARN O=C(Nc1ccccc1I)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012796567 527424602 /nfs/dbraw/zinc/42/46/02/527424602.db2.gz DFMSIEFWWFZRPU-UHFFFAOYSA-N 0 0 429.261 4.607 50 0 IJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000011933923 527434296 /nfs/dbraw/zinc/43/42/96/527434296.db2.gz KZZYXUQBIWLNKZ-GOSISDBHSA-N 0 0 440.503 4.846 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000012849230 527447998 /nfs/dbraw/zinc/44/79/98/527447998.db2.gz KEMYNGLTFVGWIK-ZWNOBZJWSA-N 0 0 427.839 4.906 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1csc(-c2ccco2)n1 ZINC000012756532 527462696 /nfs/dbraw/zinc/46/26/96/527462696.db2.gz ILDYRULRDQIVBG-UHFFFAOYSA-N 0 0 429.299 4.663 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccccc3F)nnc2n1CCc1ccccc1 ZINC000035529392 527473242 /nfs/dbraw/zinc/47/32/42/527473242.db2.gz YDTGCBPICRYBIA-UHFFFAOYSA-N 0 0 436.537 4.780 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000012922291 527499463 /nfs/dbraw/zinc/49/94/63/527499463.db2.gz JLQHNHWSCBLGNK-UHFFFAOYSA-N 0 0 446.576 4.575 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000022192256 527500054 /nfs/dbraw/zinc/50/00/54/527500054.db2.gz MHLOIIKTPWOYDQ-UHFFFAOYSA-N 0 0 439.924 4.778 50 0 IJAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000024294267 527508272 /nfs/dbraw/zinc/50/82/72/527508272.db2.gz ICQVANADSDDTRO-UHFFFAOYSA-N 0 0 448.523 4.582 50 0 IJAARN O=C(NC1CCCCC1)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000035512305 527518025 /nfs/dbraw/zinc/51/80/25/527518025.db2.gz CCGVXVBGSWAVKN-UHFFFAOYSA-N 0 0 432.543 4.763 50 0 IJAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)NCc1ccc(F)cc1 ZINC000033258593 527519273 /nfs/dbraw/zinc/51/92/73/527519273.db2.gz ROESBYDYUJCDPL-UHFFFAOYSA-N 0 0 431.471 4.567 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c(=O)c2ccccc12 ZINC000012444835 527520509 /nfs/dbraw/zinc/52/05/09/527520509.db2.gz OHHSBCCULJKRAL-UHFFFAOYSA-N 0 0 437.543 4.789 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3c(C)cccc3C)cc12 ZINC000009664029 527529619 /nfs/dbraw/zinc/52/96/19/527529619.db2.gz XKGMRJNDFUYLOY-UHFFFAOYSA-N 0 0 437.496 4.947 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@H](c3ccco3)N(C)C)cc12 ZINC000012785668 527566077 /nfs/dbraw/zinc/56/60/77/527566077.db2.gz OFBUDCHHWVPOCO-QGZVFWFLSA-N 0 0 428.945 4.675 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc12 ZINC000012785665 527566377 /nfs/dbraw/zinc/56/63/77/527566377.db2.gz OFBUDCHHWVPOCO-KRWDZBQOSA-N 0 0 428.945 4.675 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3cccc(F)c3)c1)CC(=O)N2 ZINC000020732351 527573023 /nfs/dbraw/zinc/57/30/23/527573023.db2.gz DNZLVJNIOSXHAO-HXUWFJFHSA-N 0 0 429.455 4.812 50 0 IJAARN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031492 527659477 /nfs/dbraw/zinc/65/94/77/527659477.db2.gz ZTCBRVKAEFHRED-HXUWFJFHSA-N 0 0 443.902 4.650 50 0 IJAARN O[C@@H](CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012588762 527663557 /nfs/dbraw/zinc/66/35/57/527663557.db2.gz SSZDZJKQLODIIC-FQEVSTJZSA-N 0 0 446.979 4.871 50 0 IJAARN Cc1nn(C)c2sc(C(=O)OCC(=O)N3c4ccccc4CCc4ccccc43)cc12 ZINC000022831593 527688414 /nfs/dbraw/zinc/68/84/14/527688414.db2.gz RARPMAGQZFFUEW-UHFFFAOYSA-N 0 0 431.517 4.564 50 0 IJAARN FC(F)(F)c1cnc(CN2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000091695155 527688883 /nfs/dbraw/zinc/68/88/83/527688883.db2.gz OAQUOORUJWHMMH-UHFFFAOYSA-N 0 0 449.329 4.922 50 0 IJAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N4CCOCC4)c23)CO1 ZINC000002220445 534943822 /nfs/dbraw/zinc/94/38/22/534943822.db2.gz LUKYOKIMGXAKLY-UHFFFAOYSA-N 0 0 427.595 4.672 50 0 IJAARN CCCCC1CCC(C(=O)N2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)CC1 ZINC000013661784 534959493 /nfs/dbraw/zinc/95/94/93/534959493.db2.gz LNRCYPGXRNGTTL-UHFFFAOYSA-N 0 0 436.600 4.797 50 0 IJAARN CC(C)COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000001256342 535238570 /nfs/dbraw/zinc/23/85/70/535238570.db2.gz QNMOEYBXCMCETB-UHFFFAOYSA-N 0 0 447.535 4.529 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc12 ZINC000001427454 535391075 /nfs/dbraw/zinc/39/10/75/535391075.db2.gz FGNUTWFOADJKAE-UHFFFAOYSA-N 0 0 444.984 4.711 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000013057029 535400594 /nfs/dbraw/zinc/40/05/94/535400594.db2.gz MVOYWVBZTNUQBO-UHFFFAOYSA-N 0 0 428.476 4.895 50 0 IJAARN CCc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708872 536190361 /nfs/dbraw/zinc/19/03/61/536190361.db2.gz QSEBLTSCTRVQJU-UHFFFAOYSA-N 0 0 428.899 4.550 50 0 IJAARN COc1ccc(-c2nc(NC(=O)C3=NN(c4cccc(C)c4)C(=O)CC3)sc2C)cc1 ZINC000009492047 536525860 /nfs/dbraw/zinc/52/58/60/536525860.db2.gz UNZNKEUXVZGEBM-UHFFFAOYSA-N 0 0 434.521 4.557 50 0 IJAARN COc1ccc(N2C(=O)CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000008597534 536660067 /nfs/dbraw/zinc/66/00/67/536660067.db2.gz NTVTZBODSPKUIH-VWLOTQADSA-N 0 0 448.519 4.704 50 0 IJAARN COc1ccccc1CNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C ZINC000002931568 537046985 /nfs/dbraw/zinc/04/69/85/537046985.db2.gz HZFDMPVZXGSJCP-UHFFFAOYSA-N 0 0 444.560 4.501 50 0 IJAARN COc1cccc(-c2nc(C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)c1 ZINC000013725089 537067179 /nfs/dbraw/zinc/06/71/79/537067179.db2.gz QSULVCLHMVXBMV-UHFFFAOYSA-N 0 0 427.957 4.743 50 0 IJAARN COc1ccccc1N1CCN(c2ncccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000008587006 537071755 /nfs/dbraw/zinc/07/17/55/537071755.db2.gz SKTLCJXYTDQHNE-UHFFFAOYSA-N 0 0 447.926 4.787 50 0 IJAARN CC(C)N(C(=O)CSc1nc(=O)c2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000000623997 555511391 /nfs/dbraw/zinc/51/13/91/555511391.db2.gz UOZSYOVZQPFXCC-UHFFFAOYSA-N 0 0 429.545 4.919 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cnc(-c3ccc(OC)c(OC)c3)cc12 ZINC000000633247 555515780 /nfs/dbraw/zinc/51/57/80/555515780.db2.gz OESZTXDKJSLRAU-UHFFFAOYSA-N 0 0 444.487 4.735 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n([C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000000636268 555517010 /nfs/dbraw/zinc/51/70/10/555517010.db2.gz OHVACOWYDDFIAC-KRWDZBQOSA-N 0 0 442.544 4.917 50 0 IJAARN Cc1ccc(C)c(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000000645355 555520366 /nfs/dbraw/zinc/52/03/66/555520366.db2.gz KKQHPMQNTGMQNA-UHFFFAOYSA-N 0 0 448.588 4.665 50 0 IJAARN CCc1cccc(CC)c1NC(=O)Cn1cnc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000000645743 555520753 /nfs/dbraw/zinc/52/07/53/555520753.db2.gz FQWPCIYQRYDRIM-UHFFFAOYSA-N 0 0 447.560 4.897 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)c1 ZINC000000649287 555522110 /nfs/dbraw/zinc/52/21/10/555522110.db2.gz SQMYHHZLYHKLBR-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN O=C(NCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000000657884 555525808 /nfs/dbraw/zinc/52/58/08/555525808.db2.gz XPDUBGXMXGLPBE-STZFKDTASA-N 0 0 435.321 4.536 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2)N1CCCC1 ZINC000000674989 555533978 /nfs/dbraw/zinc/53/39/78/555533978.db2.gz IHEGGJMSSCMLQU-HIFRSBDPSA-N 0 0 443.267 4.542 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000000674964 555534082 /nfs/dbraw/zinc/53/40/82/555534082.db2.gz IDGZHLQSXYVYNM-LSDHHAIUSA-N 0 0 443.267 4.542 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)c1ccccc1OC ZINC000000676508 555534883 /nfs/dbraw/zinc/53/48/83/555534883.db2.gz WMJLWUKPXXBWGC-UHFFFAOYSA-N 0 0 438.505 4.665 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N[C@@H](C)c1ccccc1 ZINC000000682899 555538170 /nfs/dbraw/zinc/53/81/70/555538170.db2.gz AYOHVMYHPNGSTK-NWDGAFQWSA-N 0 0 427.136 4.856 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)NCCC1=CCCCC1 ZINC000000682925 555538215 /nfs/dbraw/zinc/53/82/15/555538215.db2.gz DPEJLGJMCYQPNE-LBPRGKRZSA-N 0 0 431.168 4.986 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000000682900 555538219 /nfs/dbraw/zinc/53/82/19/555538219.db2.gz AYOHVMYHPNGSTK-VXGBXAGGSA-N 0 0 427.136 4.856 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 ZINC000000687444 555540729 /nfs/dbraw/zinc/54/07/29/555540729.db2.gz KCJLFRUZGDRCGV-UHFFFAOYSA-N 0 0 432.343 4.711 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000000703565 555543964 /nfs/dbraw/zinc/54/39/64/555543964.db2.gz LAEACCJUFXKYHT-XMMPIXPASA-N 0 0 437.503 4.785 50 0 IJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000000704482 555544343 /nfs/dbraw/zinc/54/43/43/555544343.db2.gz HCNKNYIXRQKAAM-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2Cl)cc1C ZINC000000724530 555551073 /nfs/dbraw/zinc/55/10/73/555551073.db2.gz BQVQAQDTZRIZPI-UHFFFAOYSA-N 0 0 444.725 4.688 50 0 IJAARN CC[C@@H](C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000000752069 555553626 /nfs/dbraw/zinc/55/36/26/555553626.db2.gz DYKONZZRQXIHSG-GFCCVEGCSA-N 0 0 442.147 4.789 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 ZINC000000795617 555557939 /nfs/dbraw/zinc/55/79/39/555557939.db2.gz VYAWNFCSUBYOLE-UHFFFAOYSA-N 0 0 429.545 4.678 50 0 IJAARN COc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1Br ZINC000000822532 555564196 /nfs/dbraw/zinc/56/41/96/555564196.db2.gz JEVCBZYMKARGES-INIZCTEOSA-N 0 0 431.315 4.535 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000000827630 555565636 /nfs/dbraw/zinc/56/56/36/555565636.db2.gz NIDFYHDLBQVYBQ-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000839733 555567592 /nfs/dbraw/zinc/56/75/92/555567592.db2.gz NQHOXNPUOYBXGT-UHFFFAOYSA-N 0 0 448.466 4.924 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000839847 555567906 /nfs/dbraw/zinc/56/79/06/555567906.db2.gz DOXYKQHDLOKLDU-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000848373 555570173 /nfs/dbraw/zinc/57/01/73/555570173.db2.gz GEMZPEUMGBPVTO-UHFFFAOYSA-N 0 0 433.327 4.523 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000000865963 555573827 /nfs/dbraw/zinc/57/38/27/555573827.db2.gz RWEPLADJJRKTBX-ZFWWWQNUSA-N 0 0 439.800 4.983 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 ZINC000000869903 555574918 /nfs/dbraw/zinc/57/49/18/555574918.db2.gz ZOWJALUQMGYLAQ-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000000882056 555577644 /nfs/dbraw/zinc/57/76/44/555577644.db2.gz WGHUEDDTTDUESP-UHFFFAOYSA-N 0 0 435.530 4.804 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1OC ZINC000000881560 555577667 /nfs/dbraw/zinc/57/76/67/555577667.db2.gz MRELYNMIQRBLQJ-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000000882080 555577741 /nfs/dbraw/zinc/57/77/41/555577741.db2.gz IYCUIUSFQXKBBD-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000000882498 555578023 /nfs/dbraw/zinc/57/80/23/555578023.db2.gz RHMJEYPPCOXKLU-UHFFFAOYSA-N 0 0 441.380 4.591 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)n1-c1ccccc1 ZINC000000906795 555582021 /nfs/dbraw/zinc/58/20/21/555582021.db2.gz USSZGZZTSFBTNV-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000918696 555584092 /nfs/dbraw/zinc/58/40/92/555584092.db2.gz UQRIQCSVYYSEOG-VQIMIIECSA-N 0 0 443.429 4.590 50 0 IJAARN COc1ccccc1-c1coc2cc(O[C@H](C)C(=O)OCc3ccccc3)ccc2c1=O ZINC000000942667 555587441 /nfs/dbraw/zinc/58/74/41/555587441.db2.gz IEUADZUOWWWUAQ-QGZVFWFLSA-N 0 0 430.456 4.979 50 0 biogenic IJAARN Cc1ccc(-c2csc3nc(SCC(=O)N(C)C)n(Cc4ccccc4)c(=O)c23)cc1 ZINC000000944680 555587942 /nfs/dbraw/zinc/58/79/42/555587942.db2.gz NWVDTYNFYYODSK-UHFFFAOYSA-N 0 0 449.601 4.662 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1OC(F)F ZINC000000949677 555588800 /nfs/dbraw/zinc/58/88/00/555588800.db2.gz MMYFJSSOONNFDY-AWEZNQCLSA-N 0 0 432.370 4.748 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951152 555589220 /nfs/dbraw/zinc/58/92/20/555589220.db2.gz SGBTWFUOAPLRBE-UHFFFAOYSA-N 0 0 448.500 4.595 50 0 IJAARN O=C1S/C(=C\c2ccccc2)C(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000974960 555592006 /nfs/dbraw/zinc/59/20/06/555592006.db2.gz JJTLVOAJHVEQNZ-NLKUQUHMSA-N 0 0 428.513 4.892 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@H](c1cccs1)CC2=O ZINC000000987029 555594949 /nfs/dbraw/zinc/59/49/49/555594949.db2.gz RVNPOUVIRMGWNJ-LBPRGKRZSA-N 0 0 429.954 4.835 50 0 IJAARN O=C(Cc1ccc(Br)cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000000987636 555595401 /nfs/dbraw/zinc/59/54/01/555595401.db2.gz JISQEBPITRFSHC-UHFFFAOYSA-N 0 0 438.734 4.714 50 0 IJAARN CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1)C(=O)c1ccccc1 ZINC000000992484 555596950 /nfs/dbraw/zinc/59/69/50/555596950.db2.gz MNVZAKHIPUAKBC-OAQYLSRUSA-N 0 0 447.487 4.774 50 0 IJAARN O=C(OCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccs1 ZINC000000992957 555597162 /nfs/dbraw/zinc/59/71/62/555597162.db2.gz SXIRUZZMTIZRTQ-UHFFFAOYSA-N 0 0 445.290 4.770 50 0 IJAARN CCc1nc2ccc(I)cc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000000995449 555598290 /nfs/dbraw/zinc/59/82/90/555598290.db2.gz GILJILNBAKAXAI-UHFFFAOYSA-N 0 0 444.194 4.572 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc(C(=O)OC)c1 ZINC000000995298 555598367 /nfs/dbraw/zinc/59/83/67/555598367.db2.gz MAPRLENBDUJVGT-UHFFFAOYSA-N 0 0 440.455 4.727 50 0 IJAARN C[C@H]1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@@H](C)C1 ZINC000000999549 555599950 /nfs/dbraw/zinc/59/99/50/555599950.db2.gz IGRYFWZVAXSJIS-KBPBESRZSA-N 0 0 428.458 4.774 50 0 IJAARN Cc1cc(O)ccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000001017055 555602905 /nfs/dbraw/zinc/60/29/05/555602905.db2.gz SGQAQKIIQXKUPE-JTQLQIEISA-N 0 0 429.108 4.632 50 0 IJAARN Cc1nc2ccccn2c1-c1ccnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000001031579 555606036 /nfs/dbraw/zinc/60/60/36/555606036.db2.gz LEAUTSMFNFAYBM-UHFFFAOYSA-N 0 0 443.454 4.849 50 0 IJAARN CCOC(=O)c1nnn2c1nc(N(Cc1ccccc1)Cc1ccccc1)c1ccccc12 ZINC000001035530 555608008 /nfs/dbraw/zinc/60/80/08/555608008.db2.gz LRZDXUGZGFYXTN-UHFFFAOYSA-N 0 0 437.503 4.661 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)NC(=O)Nc1ccccc1 ZINC000001036463 555608358 /nfs/dbraw/zinc/60/83/58/555608358.db2.gz LCQKWMLVLDGLAW-UHFFFAOYSA-N 0 0 428.517 4.980 50 0 IJAARN O=C(NC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Nc1ccccc1 ZINC000001042986 555610285 /nfs/dbraw/zinc/61/02/85/555610285.db2.gz FLMWGWYDPRHHOW-UHFFFAOYSA-N 0 0 436.308 4.531 50 0 IJAARN CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)Nc2cccc3ccccc32)c1C ZINC000001043797 555610557 /nfs/dbraw/zinc/61/05/57/555610557.db2.gz GXIHCNDDQRIMPH-UHFFFAOYSA-N 0 0 429.480 4.858 50 0 IJAARN O=C(NC(=O)c1cc(Br)cc(Br)c1)Nc1ccc(Cl)cc1 ZINC000001046457 555610773 /nfs/dbraw/zinc/61/07/73/555610773.db2.gz VBPPZEXWTGVOTJ-UHFFFAOYSA-N 0 0 432.499 4.827 50 0 IJAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(C(F)(F)F)cn1 ZINC000001047966 555611537 /nfs/dbraw/zinc/61/15/37/555611537.db2.gz ZWDCRJLDJBTUKM-UHFFFAOYSA-N 0 0 447.891 4.955 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000001049564 555612660 /nfs/dbraw/zinc/61/26/60/555612660.db2.gz CDYRWBSYDKSVDA-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3cccnc3)o2)cc1 ZINC000001052829 555613527 /nfs/dbraw/zinc/61/35/27/555613527.db2.gz NLJAWFLLLXYANI-UHFFFAOYSA-N 0 0 435.505 4.580 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccc3c(c2)OCO3)cc1 ZINC000001052817 555613569 /nfs/dbraw/zinc/61/35/69/555613569.db2.gz GHRLHUZVLZRMOG-UHFFFAOYSA-N 0 0 448.500 4.824 50 0 IJAARN CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000001053396 555613927 /nfs/dbraw/zinc/61/39/27/555613927.db2.gz VTGCWVJBSIBTPM-NVNXTCNLSA-N 0 0 426.277 4.853 50 0 IJAARN O=C(Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1Cl)c1ccccc1Cl ZINC000001070885 555621127 /nfs/dbraw/zinc/62/11/27/555621127.db2.gz JMWYCEZCONWJAB-UHFFFAOYSA-N 0 0 429.307 4.667 50 0 IJAARN O=C(c1ccco1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 ZINC000001096494 555628082 /nfs/dbraw/zinc/62/80/82/555628082.db2.gz YHIQMCYXVNYBMS-UHFFFAOYSA-N 0 0 438.439 4.972 50 0 IJAARN O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Br)cc1 ZINC000001101158 555628770 /nfs/dbraw/zinc/62/87/70/555628770.db2.gz MNTBJEWEQYQTMQ-RQZCQDPDSA-N 0 0 442.290 4.792 50 0 IJAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc2ccccc2c1 ZINC000001105454 555629225 /nfs/dbraw/zinc/62/92/25/555629225.db2.gz VKXOWKKVNIPTJX-UHFFFAOYSA-N 0 0 427.489 4.505 50 0 IJAARN CC(=O)O[C@H](COc1ccc2ccccc2c1Br)Cn1cnc2ccccc21 ZINC000001108395 555629918 /nfs/dbraw/zinc/62/99/18/555629918.db2.gz HIVIFKNUNAIAEW-KRWDZBQOSA-N 0 0 439.309 4.963 50 0 IJAARN Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)N(c2ccccc2)c2ccccc2)c1 ZINC000001121839 555638466 /nfs/dbraw/zinc/63/84/66/555638466.db2.gz UKLBKOPWZFJWFY-UHFFFAOYSA-N 0 0 442.544 4.580 50 0 IJAARN CC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000001124069 555639593 /nfs/dbraw/zinc/63/95/93/555639593.db2.gz BOLLPHXZSSIMNS-LJQANCHMSA-N 0 0 432.520 4.982 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](O)c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000001127765 555642162 /nfs/dbraw/zinc/64/21/62/555642162.db2.gz KZVRDORGEBYLDW-QHCPKHFHSA-N 0 0 444.560 4.697 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C\c1ccccc1)c1ccccc1 ZINC000001133920 555646387 /nfs/dbraw/zinc/64/63/87/555646387.db2.gz JKIAVJVDBWAXLC-CLCOLTQESA-N 0 0 432.545 4.650 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000001137022 555647521 /nfs/dbraw/zinc/64/75/21/555647521.db2.gz TXDYVWGIKUDXDO-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000001142774 555650899 /nfs/dbraw/zinc/65/08/99/555650899.db2.gz GVZQRPXBBOXBOP-UHFFFAOYSA-N 0 0 438.549 4.531 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000001143629 555651477 /nfs/dbraw/zinc/65/14/77/555651477.db2.gz BMNXUGFHHOAGES-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccccc2)cc1 ZINC000001143679 555651763 /nfs/dbraw/zinc/65/17/63/555651763.db2.gz GTYAYEFCCDCUJV-UHFFFAOYSA-N 0 0 428.561 4.575 50 0 IJAARN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000001144395 555652428 /nfs/dbraw/zinc/65/24/28/555652428.db2.gz HTVNNBOYHLHIND-UHFFFAOYSA-N 0 0 442.338 4.688 50 0 IJAARN Cc1sc2nc(SCC(=O)N3CCCC[C@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000001145849 555653256 /nfs/dbraw/zinc/65/32/56/555653256.db2.gz ADKNSEJXUNOYOO-CQSZACIVSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1-c1cccc(C)c1 ZINC000001146131 555653584 /nfs/dbraw/zinc/65/35/84/555653584.db2.gz GSHSQDYWBMSDAH-UHFFFAOYSA-N 0 0 431.359 4.686 50 0 IJAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-c2ccccc2)cc1 ZINC000001147909 555654716 /nfs/dbraw/zinc/65/47/16/555654716.db2.gz NMNUYIHQOJLZSF-FQEVSTJZSA-N 0 0 433.891 4.786 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O ZINC000001148743 555655253 /nfs/dbraw/zinc/65/52/53/555655253.db2.gz PTTBNLZUFZJOLO-UHFFFAOYSA-N 0 0 428.941 4.720 50 0 IJAARN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000001148689 555655312 /nfs/dbraw/zinc/65/53/12/555655312.db2.gz YVSXUFGMEXGMDR-UHFFFAOYSA-N 0 0 435.387 4.707 50 0 IJAARN O=C(N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000001152184 555656966 /nfs/dbraw/zinc/65/69/66/555656966.db2.gz QDYLAOPXOMZIOU-JTQLQIEISA-N 0 0 448.622 4.711 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000001158532 555660460 /nfs/dbraw/zinc/66/04/60/555660460.db2.gz GLBISADRAKTBSU-UHFFFAOYSA-N 0 0 448.500 4.803 50 0 IJAARN COc1ccccc1C(=O)C[C@@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000001163910 555663227 /nfs/dbraw/zinc/66/32/27/555663227.db2.gz WRMUSPAGANXCJB-MUUNZHRXSA-N 0 0 437.495 4.856 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 ZINC000001171117 555666736 /nfs/dbraw/zinc/66/67/36/555666736.db2.gz UCJRKHAVEIMXCC-UHFFFAOYSA-N 0 0 433.489 4.644 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C ZINC000001171865 555667297 /nfs/dbraw/zinc/66/72/97/555667297.db2.gz AYEQFSQCPGGJNE-UHFFFAOYSA-N 0 0 427.751 4.855 50 0 IJAARN COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1I ZINC000001172648 555667922 /nfs/dbraw/zinc/66/79/22/555667922.db2.gz AHJMRPDUQFAHOF-GDNBJRDFSA-N 0 0 437.258 4.541 50 0 IJAARN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000001173079 555668212 /nfs/dbraw/zinc/66/82/12/555668212.db2.gz MXKOPVRVTLGCNG-UHFFFAOYSA-N 0 0 441.380 4.591 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001174258 555668696 /nfs/dbraw/zinc/66/86/96/555668696.db2.gz MKCMFUFLHMPMHZ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001176397 555669671 /nfs/dbraw/zinc/66/96/71/555669671.db2.gz JDYPUBJQDHHKLO-FQEVSTJZSA-N 0 0 439.298 4.839 50 0 IJAARN COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O ZINC000001177876 555670577 /nfs/dbraw/zinc/67/05/77/555670577.db2.gz MGACJSVBHNGCOM-UHFFFAOYSA-N 0 0 440.377 4.767 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000001179075 555670830 /nfs/dbraw/zinc/67/08/30/555670830.db2.gz ORVDMICVWFROJC-UHFFFAOYSA-N 0 0 426.513 4.783 50 0 IJAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1cccc(I)c1 ZINC000001181618 555672212 /nfs/dbraw/zinc/67/22/12/555672212.db2.gz LEYKVSCRDYVWPZ-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN CCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000001193592 555676153 /nfs/dbraw/zinc/67/61/53/555676153.db2.gz YJYFCUIJKILUKV-DHDCSXOGSA-N 0 0 436.689 4.854 50 0 IJAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000001209454 555681562 /nfs/dbraw/zinc/68/15/62/555681562.db2.gz WNZAAPVNUFJDNW-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000001214870 555683651 /nfs/dbraw/zinc/68/36/51/555683651.db2.gz LZCNYQJMAJRUAV-FQEVSTJZSA-N 0 0 436.577 4.761 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1Br ZINC000001236597 555687170 /nfs/dbraw/zinc/68/71/70/555687170.db2.gz PHGUUINIZJQPIP-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001442331 555697818 /nfs/dbraw/zinc/69/78/18/555697818.db2.gz SDWHQKLXKGKTFY-QFIPXVFZSA-N 0 0 449.457 4.639 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001442332 555697914 /nfs/dbraw/zinc/69/79/14/555697914.db2.gz SDWHQKLXKGKTFY-JOCHJYFZSA-N 0 0 449.457 4.639 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000001442338 555697967 /nfs/dbraw/zinc/69/79/67/555697967.db2.gz MQLOMUANGAHIID-JOCHJYFZSA-N 0 0 431.467 4.500 50 0 IJAARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(C(C)C)cc1 ZINC000001457743 555700230 /nfs/dbraw/zinc/70/02/30/555700230.db2.gz NWVKUYSYKJWJKT-UHFFFAOYSA-N 0 0 435.520 4.532 50 0 IJAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000001476611 555701458 /nfs/dbraw/zinc/70/14/58/555701458.db2.gz RXNAPVNLPBVQGS-UHFFFAOYSA-N 0 0 448.013 4.550 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000001771334 555713334 /nfs/dbraw/zinc/71/33/34/555713334.db2.gz WJEOVFOJBXYFQB-UHFFFAOYSA-N 0 0 444.281 4.765 50 0 IJAARN CCCOc1ccc(-c2csc3ncn(CC(=O)OC4CCCCC4)c(=O)c23)cc1 ZINC000001911951 555724416 /nfs/dbraw/zinc/72/44/16/555724416.db2.gz HLJJTUOHQSYOSA-UHFFFAOYSA-N 0 0 426.538 4.790 50 0 IJAARN COCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000002128655 555746355 /nfs/dbraw/zinc/74/63/55/555746355.db2.gz VPBIEMPXOAOJPS-UHFFFAOYSA-N 0 0 430.961 4.593 50 0 IJAARN CSc1nc2cc(S(=O)(=O)NCCOc3cc(C)ccc3C(C)C)ccc2s1 ZINC000002171926 555752141 /nfs/dbraw/zinc/75/21/41/555752141.db2.gz DBPIADPABDMWFJ-UHFFFAOYSA-N 0 0 436.624 4.807 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 ZINC000002195772 555756913 /nfs/dbraw/zinc/75/69/13/555756913.db2.gz UHKPEZWFBHEWMS-UHFFFAOYSA-N 0 0 442.313 4.511 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000002209438 555758021 /nfs/dbraw/zinc/75/80/21/555758021.db2.gz XNUNIPQQMPDUHP-QHCPKHFHSA-N 0 0 427.456 4.556 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1Br ZINC000002217031 555759024 /nfs/dbraw/zinc/75/90/24/555759024.db2.gz AKWNDZVGESJDGH-UHFFFAOYSA-N 0 0 433.249 4.603 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000002222476 555759633 /nfs/dbraw/zinc/75/96/33/555759633.db2.gz AWPYMOMTMHJGGV-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN COc1cccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(C)cc2C)c1 ZINC000002255864 555762859 /nfs/dbraw/zinc/76/28/59/555762859.db2.gz WCXFRHWBMADUCE-XMMPIXPASA-N 0 0 445.515 4.792 50 0 IJAARN COCCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002303173 555766851 /nfs/dbraw/zinc/76/68/51/555766851.db2.gz RBBRKVCWELAGBI-UHFFFAOYSA-N 0 0 427.353 4.562 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000002306012 555767297 /nfs/dbraw/zinc/76/72/97/555767297.db2.gz CZGONEIOUGLNMD-SFHVURJKSA-N 0 0 443.883 4.755 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccc(Cl)c1 ZINC000002327257 555768980 /nfs/dbraw/zinc/76/89/80/555768980.db2.gz VQEXQVACSTYUBJ-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(C4CCCCC4)cc3)nn2c1=O ZINC000002332594 555769528 /nfs/dbraw/zinc/76/95/28/555769528.db2.gz IDCPIRCMGZBLBV-UHFFFAOYSA-N 0 0 442.610 4.866 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccccc1 ZINC000002342331 555770256 /nfs/dbraw/zinc/77/02/56/555770256.db2.gz JPKWAEYEBMLSKA-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccn2)cc1 ZINC000002343191 555770531 /nfs/dbraw/zinc/77/05/31/555770531.db2.gz ADOHSHNPEFTGKC-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccc(Cl)c1 ZINC000002353211 555771498 /nfs/dbraw/zinc/77/14/98/555771498.db2.gz AHDJKGBEWXAVBN-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000002397062 555775497 /nfs/dbraw/zinc/77/54/97/555775497.db2.gz AKAUJBYWZHYICV-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 ZINC000002405472 555776422 /nfs/dbraw/zinc/77/64/22/555776422.db2.gz JYNJYCPNIJUEEQ-LJQANCHMSA-N 0 0 436.261 4.894 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000002444235 555779920 /nfs/dbraw/zinc/77/99/20/555779920.db2.gz INFNJXRYPHXMEO-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000002446769 555780574 /nfs/dbraw/zinc/78/05/74/555780574.db2.gz XGYKCINDKUXXJG-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002448895 555781072 /nfs/dbraw/zinc/78/10/72/555781072.db2.gz XINMXMIHPLCSES-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nc(C)cc(C)n1 ZINC000002670620 555797087 /nfs/dbraw/zinc/79/70/87/555797087.db2.gz KKHCZWRKUPKKFB-UHFFFAOYSA-N 0 0 427.551 4.729 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1coc(CN2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000034678286 555797225 /nfs/dbraw/zinc/79/72/25/555797225.db2.gz NJPKMDSPQBCMTK-UHFFFAOYSA-N 0 0 445.350 4.552 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4ccccc4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034679061 555798367 /nfs/dbraw/zinc/79/83/67/555798367.db2.gz JOBMGKOLSYZKCL-UHFFFAOYSA-N 0 0 428.536 4.704 50 0 IJAARN Cc1cccc(C(=O)N2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034679056 555798432 /nfs/dbraw/zinc/79/84/32/555798432.db2.gz OTEPSIKTCKTTRB-UHFFFAOYSA-N 0 0 428.536 4.766 50 0 IJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000002734668 555805722 /nfs/dbraw/zinc/80/57/22/555805722.db2.gz HFWQCEHXYSLTJX-OAQYLSRUSA-N 0 0 434.492 4.752 50 0 IJAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C1CCCC1)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000034693306 555806591 /nfs/dbraw/zinc/80/65/91/555806591.db2.gz QQWPADFBKAKKJS-UHFFFAOYSA-N 0 0 442.563 4.944 50 0 IJAARN S=C(Nc1cccc(Cl)c1)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000002747812 555809468 /nfs/dbraw/zinc/80/94/68/555809468.db2.gz YXUFHOZYLNUZGV-UHFFFAOYSA-N 0 0 425.410 4.705 50 0 IJAARN CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc21 ZINC000002766874 555814038 /nfs/dbraw/zinc/81/40/38/555814038.db2.gz MDLJOZYFUMEEOH-UHFFFAOYSA-N 0 0 428.282 4.831 50 0 IJAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)[C@H]1CCCO1 ZINC000002769802 555814969 /nfs/dbraw/zinc/81/49/69/555814969.db2.gz DBZDBCXMXFABBN-SPLOXXLWSA-N 0 0 425.326 4.962 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000034684735 555820732 /nfs/dbraw/zinc/82/07/32/555820732.db2.gz XBKRVWAIHBINFM-UHFFFAOYSA-N 0 0 443.469 4.551 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1 ZINC000002797154 555822846 /nfs/dbraw/zinc/82/28/46/555822846.db2.gz DMUNDSRPVFYPDI-UHFFFAOYSA-N 0 0 443.902 4.973 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2 ZINC000034708408 555823010 /nfs/dbraw/zinc/82/30/10/555823010.db2.gz JZDZHCCTYDBLHM-JWQCQUIFSA-N 0 0 434.580 4.563 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2F)n1 ZINC000034713404 555826639 /nfs/dbraw/zinc/82/66/39/555826639.db2.gz WAJBKUYEYPHHDG-OAHLLOKOSA-N 0 0 448.466 4.715 50 0 IJAARN CCOc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)cc1 ZINC000002819394 555829491 /nfs/dbraw/zinc/82/94/91/555829491.db2.gz SCXXOMIXPOVDLZ-HXUWFJFHSA-N 0 0 437.517 4.626 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1 ZINC000034714238 555830690 /nfs/dbraw/zinc/83/06/90/555830690.db2.gz PLDLCRKWFSVRFL-OAHLLOKOSA-N 0 0 430.476 4.576 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1C ZINC000002835302 555832642 /nfs/dbraw/zinc/83/26/42/555832642.db2.gz BVGFGXKZSIHUKZ-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN COc1ccc2nc(N3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)sc2c1 ZINC000002841489 555835841 /nfs/dbraw/zinc/83/58/41/555835841.db2.gz PMRQRGFHYCLRAD-BBITVKMKSA-N 0 0 438.508 4.702 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 ZINC000002849251 555838680 /nfs/dbraw/zinc/83/86/80/555838680.db2.gz OUDYQKIXKIEHQF-UHFFFAOYSA-N 0 0 432.929 4.652 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000002852296 555839853 /nfs/dbraw/zinc/83/98/53/555839853.db2.gz SCLVVXYFVVTFQZ-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN Fc1c(F)c(F)c(Cn2ccc(NC(=S)NCc3ccc(Cl)cc3)n2)c(F)c1F ZINC000002852712 555840153 /nfs/dbraw/zinc/84/01/53/555840153.db2.gz FYTJQUUBHYEGPS-UHFFFAOYSA-N 0 0 446.832 4.767 50 0 IJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000002855084 555841137 /nfs/dbraw/zinc/84/11/37/555841137.db2.gz QYPIVAGGHSUQIL-SFHVURJKSA-N 0 0 432.611 4.679 50 0 IJAARN CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000002879838 555854626 /nfs/dbraw/zinc/85/46/26/555854626.db2.gz POMBWHLQVNQSKH-UHFFFAOYSA-N 0 0 435.387 4.851 50 0 IJAARN CCc1ccc(Oc2c(C(F)(F)F)oc3cc(OCC(N)=O)c(CC)cc3c2=O)cc1 ZINC000002886515 555858400 /nfs/dbraw/zinc/85/84/00/555858400.db2.gz JOVYDRMOQLXOEC-UHFFFAOYSA-N 0 0 435.398 4.593 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC3CC3)cc2[C@@H]1c1cccc(C)c1 ZINC000034717059 555866718 /nfs/dbraw/zinc/86/67/18/555866718.db2.gz KIBKUGYLBKLHQT-AHWVRZQESA-N 0 0 434.580 4.563 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000002994294 555875756 /nfs/dbraw/zinc/87/57/56/555875756.db2.gz WXVVCABIVKNWPR-UHFFFAOYSA-N 0 0 448.519 4.809 50 0 IJAARN Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002998685 555876962 /nfs/dbraw/zinc/87/69/62/555876962.db2.gz VZFVQAQGVGXGFF-UHFFFAOYSA-N 0 0 427.806 4.812 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000034734438 555879099 /nfs/dbraw/zinc/87/90/99/555879099.db2.gz UNEPTSNUPIIBLX-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN COc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000034724238 555881389 /nfs/dbraw/zinc/88/13/89/555881389.db2.gz VNTYSZKFCFQPAL-UHFFFAOYSA-N 0 0 447.510 4.810 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000034724879 555881745 /nfs/dbraw/zinc/88/17/45/555881745.db2.gz BBXOVVRLTQRFEO-UHFFFAOYSA-N 0 0 445.538 4.787 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1ccc(C)cc1)C(F)(F)F ZINC000003103358 555886969 /nfs/dbraw/zinc/88/69/69/555886969.db2.gz YTCCUXNLLFHUDP-SFHVURJKSA-N 0 0 449.256 4.965 50 0 IJAARN CCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000003147864 555892201 /nfs/dbraw/zinc/89/22/01/555892201.db2.gz RLCANRURACTJRE-LLVKDONJSA-N 0 0 437.607 4.892 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccccn2)CC3)CC1 ZINC000034755760 555901190 /nfs/dbraw/zinc/90/11/90/555901190.db2.gz MVXXPHUBNDOIMQ-UHFFFAOYSA-N 0 0 433.531 4.598 50 0 IJAARN O=C(c1cccc2ccccc21)N1CCC2(CC1)NC(=O)c1c(Cl)c(Cl)ccc1N2 ZINC000034812039 555909399 /nfs/dbraw/zinc/90/93/99/555909399.db2.gz KNDDVDXMTGVMIQ-UHFFFAOYSA-N 0 0 440.330 4.934 50 0 IJAARN CCc1[nH]nc(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034794967 555917521 /nfs/dbraw/zinc/91/75/21/555917521.db2.gz OOGYANNPUKFSAZ-UHFFFAOYSA-N 0 0 449.429 4.936 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nc(C(=O)NCCCNC(=O)C3CCCC3)cs2)c1 ZINC000034906035 555920291 /nfs/dbraw/zinc/92/02/91/555920291.db2.gz JPAJYYRUURPNSN-UHFFFAOYSA-N 0 0 443.613 4.580 50 0 IJAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000034907229 555921054 /nfs/dbraw/zinc/92/10/54/555921054.db2.gz SCJFPVFDBCUUJC-UHFFFAOYSA-N 0 0 435.616 4.854 50 0 IJAARN CCCN(CCC)C(=O)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916958 555930608 /nfs/dbraw/zinc/93/06/08/555930608.db2.gz KEDTXMWKVSWTMU-CQSZACIVSA-N 0 0 438.412 4.721 50 0 IJAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCCC[C@@H]1C ZINC000034919701 555931168 /nfs/dbraw/zinc/93/11/68/555931168.db2.gz QFJNCRFDKFDSNH-MOPGFXCFSA-N 0 0 443.613 4.703 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)cc1 ZINC000034921754 555932001 /nfs/dbraw/zinc/93/20/01/555932001.db2.gz UAVJRDXBIZUUKY-UHFFFAOYSA-N 0 0 442.512 4.789 50 0 IJAARN CCCCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 ZINC000003627238 555941430 /nfs/dbraw/zinc/94/14/30/555941430.db2.gz WEQBFJYHBRBBQI-UHFFFAOYSA-N 0 0 444.597 4.929 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2 ZINC000003655221 555944348 /nfs/dbraw/zinc/94/43/48/555944348.db2.gz BCUJTZCTPRXELA-FQEVSTJZSA-N 0 0 440.525 4.570 50 0 IJAARN CCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000003667432 555945171 /nfs/dbraw/zinc/94/51/71/555945171.db2.gz VLVLARXXANXMPS-OVKIHRCZSA-N 0 0 437.495 4.650 50 0 IJAARN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc[nH]n1 ZINC000003770968 555946330 /nfs/dbraw/zinc/94/63/30/555946330.db2.gz DARGOVLICVDIFQ-UHFFFAOYSA-N 0 0 436.609 4.707 50 0 IJAARN Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2C(F)(F)F)o1 ZINC000004180601 555974248 /nfs/dbraw/zinc/97/42/48/555974248.db2.gz QRQBQONSQJIWBT-MOSHPQCFSA-N 0 0 428.410 4.694 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2cccs2)cc1 ZINC000002223201 556060053 /nfs/dbraw/zinc/06/00/53/556060053.db2.gz WLHJKSPJCMWHKL-UHFFFAOYSA-N 0 0 431.517 4.839 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccccc2)cc1 ZINC000006157269 556078652 /nfs/dbraw/zinc/07/86/52/556078652.db2.gz KELGXGWPNRBSCE-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000002440945 556099960 /nfs/dbraw/zinc/09/99/60/556099960.db2.gz MASHGOOAGCBXJO-BFUOFWGJSA-N 0 0 448.277 4.963 50 0 IJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)cc1C ZINC000006858801 556106443 /nfs/dbraw/zinc/10/64/43/556106443.db2.gz UYWZKODZUQTVSX-LICLKQGHSA-N 0 0 445.338 4.741 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1cccnc1Cl ZINC000002663045 556118447 /nfs/dbraw/zinc/11/84/47/556118447.db2.gz FFWITUKVZDIXCG-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cc(C)ccc1C ZINC000002691136 556122070 /nfs/dbraw/zinc/12/20/70/556122070.db2.gz PYJCEQCSASKSAQ-UHFFFAOYSA-N 0 0 433.529 4.508 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002703973 556123013 /nfs/dbraw/zinc/12/30/13/556123013.db2.gz IJKCAAFRMMKYGM-HSZRJFAPSA-N 0 0 427.456 4.561 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002704261 556123579 /nfs/dbraw/zinc/12/35/79/556123579.db2.gz ZEBFXNSYTYTNHG-QFIPXVFZSA-N 0 0 447.874 4.906 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704577 556123915 /nfs/dbraw/zinc/12/39/15/556123915.db2.gz JUBGXCAXRSGTSG-HSZRJFAPSA-N 0 0 427.456 4.561 50 0 IJAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)c1 ZINC000002716395 556130772 /nfs/dbraw/zinc/13/07/72/556130772.db2.gz XXNOSHVCWRIXKP-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)nc21 ZINC000002746273 556136657 /nfs/dbraw/zinc/13/66/57/556136657.db2.gz MUWNFKWLMZJIBC-UHFFFAOYSA-N 0 0 438.582 4.627 50 0 IJAARN Cn1nc(-c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1C(F)(F)F ZINC000002787614 556139195 /nfs/dbraw/zinc/13/91/95/556139195.db2.gz TYIPIQMJLYUYQC-SNVBAGLBSA-N 0 0 434.491 4.909 50 0 IJAARN O=C(Nc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1)c1ccco1 ZINC000002930852 556150008 /nfs/dbraw/zinc/15/00/08/556150008.db2.gz DFWDOPKITCDLSW-UHFFFAOYSA-N 0 0 440.253 4.923 50 0 IJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1 ZINC000003024758 556157371 /nfs/dbraw/zinc/15/73/71/556157371.db2.gz CGBXINJXNCBEGZ-UHFFFAOYSA-N 0 0 438.524 4.953 50 0 IJAARN Cc1cc(-c2ccccc2)nc2oc3c([nH]c(=O)n(-c4cccc(C(F)(F)F)c4)c3=O)c21 ZINC000008382940 556158556 /nfs/dbraw/zinc/15/85/56/556158556.db2.gz GYLUQYHYVXGGEF-UHFFFAOYSA-N 0 0 437.377 4.814 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)c1 ZINC000008400451 556165833 /nfs/dbraw/zinc/16/58/33/556165833.db2.gz ZNTUASRGDIOXTR-UHFFFAOYSA-N 0 0 440.425 4.696 50 0 IJAARN COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)cc1 ZINC000008407750 556166703 /nfs/dbraw/zinc/16/67/03/556166703.db2.gz VOLNLCCSAFLEJE-STZFKDTASA-N 0 0 433.847 4.912 50 0 IJAARN Cc1ccc(OCCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000008426255 556168856 /nfs/dbraw/zinc/16/88/56/556168856.db2.gz RBHAGECMMAMVDH-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000008434832 556172708 /nfs/dbraw/zinc/17/27/08/556172708.db2.gz SFKBXQJNPAPIKF-OMXAPOSASA-N 0 0 427.328 4.752 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Br)cc1 ZINC000008434841 556172716 /nfs/dbraw/zinc/17/27/16/556172716.db2.gz GVFZLMWJZPRSFX-INIZCTEOSA-N 0 0 447.638 4.712 50 0 IJAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000008442710 556177747 /nfs/dbraw/zinc/17/77/47/556177747.db2.gz JCJPHKVFTVRRCB-XMGSFKNRSA-N 0 0 442.922 4.733 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000008444555 556179007 /nfs/dbraw/zinc/17/90/07/556179007.db2.gz NGFZCYZIFJLMFQ-UXEPBGEESA-N 0 0 436.459 4.911 50 0 IJAARN Cc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2cccc(Cl)c2)cc1 ZINC000008445472 556179688 /nfs/dbraw/zinc/17/96/88/556179688.db2.gz HBLCJMRJTNOILN-UHFFFAOYSA-N 0 0 425.883 4.810 50 0 IJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCCC2)cc1 ZINC000008603399 556190949 /nfs/dbraw/zinc/19/09/49/556190949.db2.gz FSRPGXPIQAPNGK-QFIPXVFZSA-N 0 0 435.524 4.502 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000008603418 556190974 /nfs/dbraw/zinc/19/09/74/556190974.db2.gz DTPOOKKZVMRNLJ-QFIPXVFZSA-N 0 0 435.524 4.584 50 0 IJAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)c12 ZINC000097428274 556195691 /nfs/dbraw/zinc/19/56/91/556195691.db2.gz FEDWEICHKWEBBJ-UHFFFAOYSA-N 0 0 436.899 4.770 50 0 IJAARN CC(C)Oc1ccc(OCCn2c(SCc3ccccc3)nc3c2ncnc3N)cc1 ZINC000008715498 556201996 /nfs/dbraw/zinc/20/19/96/556201996.db2.gz KKWMPHHSQGPOAO-UHFFFAOYSA-N 0 0 435.553 4.567 50 0 IJAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2C1=O ZINC000008721822 556203058 /nfs/dbraw/zinc/20/30/58/556203058.db2.gz VBJJECMMQADKCQ-UHFFFAOYSA-N 0 0 444.487 4.672 50 0 IJAARN COc1cc(C(=O)NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC ZINC000008722767 556203349 /nfs/dbraw/zinc/20/33/49/556203349.db2.gz FIWRKKOIMBUKAF-UHFFFAOYSA-N 0 0 437.521 4.583 50 0 IJAARN Cc1cc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)no1 ZINC000008745908 556209389 /nfs/dbraw/zinc/20/93/89/556209389.db2.gz GYOFNJUESXCARL-UHFFFAOYSA-N 0 0 426.567 4.517 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 ZINC000008827395 556224459 /nfs/dbraw/zinc/22/44/59/556224459.db2.gz LXBCYUILVNKJMZ-KRWDZBQOSA-N 0 0 441.871 4.749 50 0 IJAARN C[C@H](NC(=O)c1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000008873044 556229889 /nfs/dbraw/zinc/22/98/89/556229889.db2.gz UBEPFNJEARGBCF-MBBDBFLNSA-N 0 0 432.564 4.641 50 0 IJAARN CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2ccccc2Br)CC(=O)N1 ZINC000008893206 556230922 /nfs/dbraw/zinc/23/09/22/556230922.db2.gz HUNMRBBJTRHNPF-GOSISDBHSA-N 0 0 428.326 4.503 50 0 IJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@H]2c1cccnc1 ZINC000008974227 556238044 /nfs/dbraw/zinc/23/80/44/556238044.db2.gz MKNPZHNOKMFRKE-IBGZPJMESA-N 0 0 427.851 4.831 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000009159593 556249751 /nfs/dbraw/zinc/24/97/51/556249751.db2.gz NOCLBWRGIHNWCM-NRFANRHFSA-N 0 0 432.863 4.908 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1)c1cccs1 ZINC000009195019 556254498 /nfs/dbraw/zinc/25/44/98/556254498.db2.gz ODYDOMQFGOJFSS-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009197090 556255113 /nfs/dbraw/zinc/25/51/13/556255113.db2.gz MOVYQEULLHWWQP-PMACEKPBSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000009198241 556256391 /nfs/dbraw/zinc/25/63/91/556256391.db2.gz VSTNNFAYOQBUHX-MRXNPFEDSA-N 0 0 440.956 4.510 50 0 IJAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 ZINC000009199272 556257110 /nfs/dbraw/zinc/25/71/10/556257110.db2.gz YUSCLKVDTYCLEY-AWEZNQCLSA-N 0 0 426.929 4.527 50 0 IJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)c1 ZINC000009199260 556257146 /nfs/dbraw/zinc/25/71/46/556257146.db2.gz HNLYDZQPNAJHMH-AWEZNQCLSA-N 0 0 426.929 4.581 50 0 IJAARN CCOc1cc(CNc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)cc(OCC)c1OCC ZINC000009224795 556258599 /nfs/dbraw/zinc/25/85/99/556258599.db2.gz NGVGOLMCGWZSPT-UHFFFAOYSA-N 0 0 437.536 4.683 50 0 IJAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(F)cc3F)c2c1 ZINC000009225113 556258994 /nfs/dbraw/zinc/25/89/94/556258994.db2.gz PWWULLNOSXKTCY-UHFFFAOYSA-N 0 0 433.458 4.839 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)c1 ZINC000009225830 556260055 /nfs/dbraw/zinc/26/00/55/556260055.db2.gz NVCALZSPMMDSBK-SANMLTNESA-N 0 0 444.556 4.792 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231893 556261009 /nfs/dbraw/zinc/26/10/09/556261009.db2.gz CGBCCMGYOQQZPW-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239648 556266347 /nfs/dbraw/zinc/26/63/47/556266347.db2.gz FIAKFFQYMASSEC-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN COCc1nn2c(nc(-c3cccnc3)cc2C(F)(F)F)c1-c1ccc(OC)c(OC)c1 ZINC000009261138 556268990 /nfs/dbraw/zinc/26/89/90/556268990.db2.gz DYNGWSRIDFTFJA-UHFFFAOYSA-N 0 0 444.413 4.641 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1C[C@H](O)c1ccccc1 ZINC000009292234 556274330 /nfs/dbraw/zinc/27/43/30/556274330.db2.gz DZBDHUSWYFYFIV-SIKLNZKXSA-N 0 0 431.875 4.725 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009295109 556274818 /nfs/dbraw/zinc/27/48/18/556274818.db2.gz PFUZHFMVSQFOJD-VQTJNVASSA-N 0 0 441.988 4.844 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC(C)C)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013684646 556275167 /nfs/dbraw/zinc/27/51/67/556275167.db2.gz MTTFLYPSIYBEGH-UHFFFAOYSA-N 0 0 428.554 4.872 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1 ZINC000009308372 556277872 /nfs/dbraw/zinc/27/78/72/556277872.db2.gz KPUDUSMHOYRVNA-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000013690411 556279772 /nfs/dbraw/zinc/27/97/72/556279772.db2.gz OWICZQQVWCEZCO-QGZVFWFLSA-N 0 0 430.335 4.643 50 0 IJAARN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000009323350 556281386 /nfs/dbraw/zinc/28/13/86/556281386.db2.gz SOXZLPGAUPGCKT-HYARGMPZSA-N 0 0 428.488 4.676 50 0 IJAARN COc1ccc(C(=O)Nc2c(S(=O)(=O)c3ccccc3)c(C)c(C)n2C(C)C)cc1 ZINC000013692069 556281702 /nfs/dbraw/zinc/28/17/02/556281702.db2.gz WUEAYDHHBNQADC-UHFFFAOYSA-N 0 0 426.538 4.780 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000009356394 556285123 /nfs/dbraw/zinc/28/51/23/556285123.db2.gz ODLGHZXXSITSBU-QFIPXVFZSA-N 0 0 444.922 4.849 50 0 IJAARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009371650 556286507 /nfs/dbraw/zinc/28/65/07/556286507.db2.gz WTDVJCBHMXNHPX-OAQYLSRUSA-N 0 0 439.870 4.959 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013727358 556293888 /nfs/dbraw/zinc/29/38/88/556293888.db2.gz GUPFRSNTFOJTRE-UHFFFAOYSA-N 0 0 428.554 4.872 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000009480215 556293884 /nfs/dbraw/zinc/29/38/84/556293884.db2.gz NZLVXZJBHACWOX-UHFFFAOYSA-N 0 0 434.924 4.709 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000009499784 556295517 /nfs/dbraw/zinc/29/55/17/556295517.db2.gz IAZPNLZUHLHRBN-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c13)CCC(C)(C)O2 ZINC000013735347 556297468 /nfs/dbraw/zinc/29/74/68/556297468.db2.gz ZZLNFXBOYMGEET-UHFFFAOYSA-N 0 0 446.503 4.876 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)Cc1csc(-c3ccc(Cl)cc3)n1)CC2 ZINC000013736615 556297688 /nfs/dbraw/zinc/29/76/88/556297688.db2.gz RQOAIBUJYDWJSF-UHFFFAOYSA-N 0 0 428.941 4.608 50 0 IJAARN CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000009559827 556298264 /nfs/dbraw/zinc/29/82/64/556298264.db2.gz DBZFRLCTAJCUPP-INIZCTEOSA-N 0 0 443.540 4.999 50 0 IJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1Cl ZINC000013750577 556298990 /nfs/dbraw/zinc/29/89/90/556298990.db2.gz YUBRIHNODZHZAA-XKZIYDEJSA-N 0 0 448.931 4.698 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000032739407 556299696 /nfs/dbraw/zinc/29/96/96/556299696.db2.gz SIAPFCAWAUUAKL-OAHLLOKOSA-N 0 0 435.528 4.600 50 0 IJAARN Cc1cc(NC(=O)CCC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661115 556304227 /nfs/dbraw/zinc/30/42/27/556304227.db2.gz ILFQKUOXCRJYMN-UHFFFAOYSA-N 0 0 449.946 4.872 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000013770351 556304948 /nfs/dbraw/zinc/30/49/48/556304948.db2.gz JXJRNLZSYILYNO-ORAYPTAESA-N 0 0 430.287 4.824 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)c(C)c3)nn12 ZINC000009668075 556305202 /nfs/dbraw/zinc/30/52/02/556305202.db2.gz WIOMCTASWHWSIC-UHFFFAOYSA-N 0 0 429.958 4.854 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000009724038 556307508 /nfs/dbraw/zinc/30/75/08/556307508.db2.gz WHEBHBIJZYDWRY-UHFFFAOYSA-N 0 0 427.353 4.666 50 0 IJAARN CSc1nc2ccccc2n1C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000009722459 556307556 /nfs/dbraw/zinc/30/75/56/556307556.db2.gz FWDCYHDKHBUATM-UHFFFAOYSA-N 0 0 429.501 4.628 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000013809822 556311587 /nfs/dbraw/zinc/31/15/87/556311587.db2.gz RKACYQRHAGLORW-OKILXGFUSA-N 0 0 428.458 4.917 50 0 IJAARN COc1ccccc1CNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn21 ZINC000009831134 556312613 /nfs/dbraw/zinc/31/26/13/556312613.db2.gz LJRTUNGGCZJRNQ-UHFFFAOYSA-N 0 0 441.491 4.582 50 0 IJAARN CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2ccc(F)c(Br)c2)CC(=O)N1 ZINC000009860963 556314245 /nfs/dbraw/zinc/31/42/45/556314245.db2.gz KMZYDIIQKSOBIZ-QGZVFWFLSA-N 0 0 446.316 4.642 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000009892175 556315298 /nfs/dbraw/zinc/31/52/98/556315298.db2.gz WNPVKDXXVPKJBV-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1Br ZINC000032747984 556316680 /nfs/dbraw/zinc/31/66/80/556316680.db2.gz RXFYKQRBFXGHFB-GOSISDBHSA-N 0 0 425.729 4.809 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccs1)Nc1ccccc1 ZINC000009934118 556317816 /nfs/dbraw/zinc/31/78/16/556317816.db2.gz AIMMIJKMRYWMOH-IBGZPJMESA-N 0 0 439.924 4.768 50 0 IJAARN COCCCn1c(=O)c2c3c(sc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1)CCC3 ZINC000032754521 556323808 /nfs/dbraw/zinc/32/38/08/556323808.db2.gz YFXOBTGMNVDCOE-LBPRGKRZSA-N 0 0 448.614 4.517 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2)n1C ZINC000013880427 556325610 /nfs/dbraw/zinc/32/56/10/556325610.db2.gz YGCODYQDPVJDSJ-UHFFFAOYSA-N 0 0 449.001 4.641 50 0 IJAARN O=C(/C(=C\c1ccc(OCc2ccccc2)cc1)n1ccccc1=O)N1CCCCCC1 ZINC000013897316 556329863 /nfs/dbraw/zinc/32/98/63/556329863.db2.gz GMTCBOQFLOREMT-LKUDQCMESA-N 0 0 428.532 4.828 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CCc3nc(-c4ccsc4)no3)n2)c(OC)c1 ZINC000032768251 556333281 /nfs/dbraw/zinc/33/32/81/556333281.db2.gz CTUWKVYCYXICMY-UHFFFAOYSA-N 0 0 442.522 4.510 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1=O ZINC000010462088 556335484 /nfs/dbraw/zinc/33/54/84/556335484.db2.gz SXAGUFPCCRFUIM-HNNXBMFYSA-N 0 0 448.350 4.833 50 0 IJAARN Brc1ccc(-c2nnc(CN(Cc3cccs3)C[C@H]3CCCO3)o2)s1 ZINC000032772747 556335539 /nfs/dbraw/zinc/33/55/39/556335539.db2.gz MHWKOBFDEKSYSD-GFCCVEGCSA-N 0 0 440.388 4.803 50 0 IJAARN Brc1ccc(-c2nnc(CN(Cc3cccs3)C[C@@H]3CCCO3)o2)s1 ZINC000032772745 556335627 /nfs/dbraw/zinc/33/56/27/556335627.db2.gz MHWKOBFDEKSYSD-LBPRGKRZSA-N 0 0 440.388 4.803 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1O ZINC000013941649 556338591 /nfs/dbraw/zinc/33/85/91/556338591.db2.gz RZBQWEDZGWJHSI-UHFFFAOYSA-N 0 0 425.282 4.968 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1C ZINC000013944469 556341678 /nfs/dbraw/zinc/34/16/78/556341678.db2.gz APSHWVDJGSNBTF-LJQANCHMSA-N 0 0 434.565 4.637 50 0 IJAARN COc1ccc(NC(=O)CS[C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 ZINC000013957676 556345635 /nfs/dbraw/zinc/34/56/35/556345635.db2.gz WGYOOQRMBPAUBO-RUZDIDTESA-N 0 0 432.545 4.764 50 0 IJAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000011768135 556349761 /nfs/dbraw/zinc/34/97/61/556349761.db2.gz FRZNWNXPJMFRDD-QFIPXVFZSA-N 0 0 434.584 4.588 50 0 IJAARN CN1CCc2nc(NC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)sc2C1 ZINC000032795560 556357882 /nfs/dbraw/zinc/35/78/82/556357882.db2.gz JMDVKVBAHLDXEA-UHFFFAOYSA-N 0 0 434.496 4.844 50 0 IJAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000011820447 556362346 /nfs/dbraw/zinc/36/23/46/556362346.db2.gz LTCNULFQTGUSMH-FQEVSTJZSA-N 0 0 425.488 4.862 50 0 IJAARN CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](C/C(C)=C/c2ccccc2)CC1)c1ccccc1 ZINC000011838385 556363231 /nfs/dbraw/zinc/36/32/31/556363231.db2.gz YPMRAJXRPLBKNT-MLBYCOPISA-N 0 0 444.579 4.950 50 0 IJAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000011840821 556365074 /nfs/dbraw/zinc/36/50/74/556365074.db2.gz RBKMFACZGDEXQE-DEOSSOPVSA-N 0 0 427.928 4.571 50 0 IJAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000011872962 556369575 /nfs/dbraw/zinc/36/95/75/556369575.db2.gz XGVMYQJDBREZNN-HSZRJFAPSA-N 0 0 445.563 4.689 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CC=C(c5ccccc5)CC4)c(=O)c23)s1 ZINC000014124576 556373178 /nfs/dbraw/zinc/37/31/78/556373178.db2.gz MOOIQSDUEAUUKP-UHFFFAOYSA-N 0 0 447.585 4.811 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000014129219 556374207 /nfs/dbraw/zinc/37/42/07/556374207.db2.gz SVMFXWKLIHPNMW-HXUWFJFHSA-N 0 0 442.515 4.732 50 0 IJAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000032800447 556375212 /nfs/dbraw/zinc/37/52/12/556375212.db2.gz ALXODUGSQYZZCE-UHFFFAOYSA-N 0 0 428.467 4.536 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000014137448 556375469 /nfs/dbraw/zinc/37/54/69/556375469.db2.gz YCYCHCDJJJOFSJ-SNVBAGLBSA-N 0 0 442.850 4.723 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014138939 556375825 /nfs/dbraw/zinc/37/58/25/556375825.db2.gz UYYFOVAEKWYIRK-QGZVFWFLSA-N 0 0 426.563 4.913 50 0 IJAARN Cc1c(C(=O)NCCCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000011913107 556375952 /nfs/dbraw/zinc/37/59/52/556375952.db2.gz OLFCUFCHEVLCER-OAHLLOKOSA-N 0 0 437.594 4.992 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)CCc2ccccc2F)C1)NCc1ccccc1Cl ZINC000011933771 556377257 /nfs/dbraw/zinc/37/72/57/556377257.db2.gz GATWIMRSRFTBIK-GOSISDBHSA-N 0 0 430.951 4.747 50 0 IJAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)[C@@H]2CCCO2)C2CC2)cc1OC ZINC000011997599 556384682 /nfs/dbraw/zinc/38/46/82/556384682.db2.gz SIZXQSQXXOXFHV-DEOSSOPVSA-N 0 0 446.547 4.897 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000014186178 556386136 /nfs/dbraw/zinc/38/61/36/556386136.db2.gz DVPISMYBBBNAPR-HXUWFJFHSA-N 0 0 426.307 4.506 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)c1 ZINC000014187684 556386706 /nfs/dbraw/zinc/38/67/06/556386706.db2.gz GMTIBAMFXXIFGW-IBGZPJMESA-N 0 0 428.533 4.569 50 0 IJAARN C[C@@H](c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012022293 556387041 /nfs/dbraw/zinc/38/70/41/556387041.db2.gz WBMDSGSCHXXUFD-KRWDZBQOSA-N 0 0 432.549 4.977 50 0 IJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012029286 556388451 /nfs/dbraw/zinc/38/84/51/556388451.db2.gz DLDRRTJMEUDZII-NRFANRHFSA-N 0 0 432.998 4.982 50 0 IJAARN CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000014199744 556390531 /nfs/dbraw/zinc/39/05/31/556390531.db2.gz PZXIGSYVJZZSPS-HNNXBMFYSA-N 0 0 430.342 4.858 50 0 IJAARN CNC(=O)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C2CC2)cc1 ZINC000032816594 556392664 /nfs/dbraw/zinc/39/26/64/556392664.db2.gz LZSJAYYZXGFBAI-IBGZPJMESA-N 0 0 428.532 4.672 50 0 IJAARN CCN(c1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1)S(C)(=O)=O ZINC000014229075 556396452 /nfs/dbraw/zinc/39/64/52/556396452.db2.gz PGBUVVPXIUCSHA-UHFFFAOYSA-N 0 0 429.592 4.797 50 0 IJAARN Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NS(=O)(=O)Cc1ccccc1 ZINC000032610736 556408634 /nfs/dbraw/zinc/40/86/34/556408634.db2.gz DYLZKOFYEPMQTQ-UHFFFAOYSA-N 0 0 440.352 4.785 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1nc2c(cccc2C)s1 ZINC000032824583 556410152 /nfs/dbraw/zinc/41/01/52/556410152.db2.gz XSCGYTJQDRTKBM-HNNXBMFYSA-N 0 0 429.929 4.510 50 0 IJAARN COP(=O)(OC)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccccc2)s1 ZINC000032624699 556411415 /nfs/dbraw/zinc/41/14/15/556411415.db2.gz XMHWHAWBPHUTJC-QGZVFWFLSA-N 0 0 432.442 4.505 50 0 IJAARN COc1cc2c(cc1OC)CN(Cc1csc(N(C(C)=O)c3ccccc3F)n1)CC2 ZINC000032819357 556412030 /nfs/dbraw/zinc/41/20/30/556412030.db2.gz IFRMSOLYGZMZIY-UHFFFAOYSA-N 0 0 441.528 4.542 50 0 IJAARN Cc1nc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 ZINC000032819949 556412248 /nfs/dbraw/zinc/41/22/48/556412248.db2.gz BLGKYQOZTMNONI-HXUWFJFHSA-N 0 0 444.516 4.659 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032672102 556414880 /nfs/dbraw/zinc/41/48/80/556414880.db2.gz JIZIXNNUENCREY-INIZCTEOSA-N 0 0 426.519 4.582 50 0 IJAARN O=C(c1ccc(Cl)cc1)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000032666359 556417601 /nfs/dbraw/zinc/41/76/01/556417601.db2.gz MSMJJCZLDPUJMA-UHFFFAOYSA-N 0 0 429.958 4.967 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000014526342 556419896 /nfs/dbraw/zinc/41/98/96/556419896.db2.gz GIKWLGDNTMDVAT-LJQANCHMSA-N 0 0 429.524 4.691 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cc(C)ccc1C)CC2 ZINC000012978557 556423136 /nfs/dbraw/zinc/42/31/36/556423136.db2.gz CNHXNSQNZNZJGO-MHZLTWQESA-N 0 0 430.548 4.907 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1F)CC2 ZINC000012978586 556423179 /nfs/dbraw/zinc/42/31/79/556423179.db2.gz CTBACGOYAGUMSP-AREMUKBSSA-N 0 0 434.511 4.738 50 0 IJAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012980773 556424247 /nfs/dbraw/zinc/42/42/47/556424247.db2.gz MOHLZOMFCAOBSI-NXEZZACHSA-N 0 0 446.857 4.899 50 0 IJAARN Cc1csc(N(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c2ccccc2)n1 ZINC000014586697 556428861 /nfs/dbraw/zinc/42/88/61/556428861.db2.gz GUOQBQLFIMPPBE-UHFFFAOYSA-N 0 0 438.530 4.997 50 0 IJAARN COc1ccc([C@@H](CNC(=O)CCc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000032845772 556429419 /nfs/dbraw/zinc/42/94/19/556429419.db2.gz LKWNARNFAVXCKO-JOCHJYFZSA-N 0 0 442.515 4.786 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)c2ccccc12 ZINC000012995033 556430258 /nfs/dbraw/zinc/43/02/58/556430258.db2.gz HYRDKNNNUHZJSB-GOSISDBHSA-N 0 0 436.939 4.670 50 0 IJAARN O=C(CN1CC=C(c2ccc(O)cc2)CC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000032851112 556431857 /nfs/dbraw/zinc/43/18/57/556431857.db2.gz NCXQYXBPKNJFDC-NRFANRHFSA-N 0 0 449.601 4.982 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000032854797 556432895 /nfs/dbraw/zinc/43/28/95/556432895.db2.gz HFGHGIKFBVWTND-UHFFFAOYSA-N 0 0 435.929 4.574 50 0 IJAARN O=C(Nc1ccccc1OC(F)(F)F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000027823274 556433649 /nfs/dbraw/zinc/43/36/49/556433649.db2.gz HATIOJWDIRBHJQ-UHFFFAOYSA-N 0 0 426.350 4.638 50 0 IJAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000027851700 556434295 /nfs/dbraw/zinc/43/42/95/556434295.db2.gz QLLQIDQXIUUBEC-ZIAGYGMSSA-N 0 0 438.471 4.855 50 0 IJAARN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000027851716 556434572 /nfs/dbraw/zinc/43/45/72/556434572.db2.gz QLLQIDQXIUUBEC-KGLIPLIRSA-N 0 0 438.471 4.855 50 0 IJAARN COc1ccc(OC)c(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)c1 ZINC000011025939 556434966 /nfs/dbraw/zinc/43/49/66/556434966.db2.gz CLKYWTMPXIFJDN-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000013008984 556435310 /nfs/dbraw/zinc/43/53/10/556435310.db2.gz OZYXMOXYNYVHKD-IBGZPJMESA-N 0 0 442.635 4.880 50 0 IJAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1CSc1nc2ccccc2o1 ZINC000013016402 556437983 /nfs/dbraw/zinc/43/79/83/556437983.db2.gz BGJYYEQCXABCDN-QGZVFWFLSA-N 0 0 432.501 4.690 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1 ZINC000013018557 556439379 /nfs/dbraw/zinc/43/93/79/556439379.db2.gz OZOOTTAZDXMINS-UHFFFAOYSA-N 0 0 429.307 4.860 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000027995375 556441032 /nfs/dbraw/zinc/44/10/32/556441032.db2.gz VRWSNPFTBAZTGT-CQSZACIVSA-N 0 0 430.501 4.696 50 0 IJAARN CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000028043718 556442589 /nfs/dbraw/zinc/44/25/89/556442589.db2.gz LBVZCLOMFVPYAC-UHFFFAOYSA-N 0 0 432.767 4.506 50 0 IJAARN CCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1C ZINC000013038181 556443860 /nfs/dbraw/zinc/44/38/60/556443860.db2.gz KHIKROFELHHERG-UHFFFAOYSA-N 0 0 427.932 4.680 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000028195051 556445177 /nfs/dbraw/zinc/44/51/77/556445177.db2.gz ZZNKYWNCUACWQK-UHFFFAOYSA-N 0 0 449.473 4.780 50 0 IJAARN O=C(CSCc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1Br ZINC000028259281 556447278 /nfs/dbraw/zinc/44/72/78/556447278.db2.gz MRDGEDBIHRMGIQ-UHFFFAOYSA-N 0 0 428.735 4.746 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028288444 556448226 /nfs/dbraw/zinc/44/82/26/556448226.db2.gz NMVBGNUCPZMPNP-NRFANRHFSA-N 0 0 438.955 4.966 50 0 IJAARN C[C@@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032868674 556448850 /nfs/dbraw/zinc/44/88/50/556448850.db2.gz OAQYYYZXRHJJKA-CYBMUJFWSA-N 0 0 431.473 4.584 50 0 IJAARN CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000013061148 556450732 /nfs/dbraw/zinc/45/07/32/556450732.db2.gz DATVPMCPZMIQJL-UUOWRZLLSA-N 0 0 436.552 4.671 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000013062759 556451033 /nfs/dbraw/zinc/45/10/33/556451033.db2.gz WIHLASJBSWMHOO-JOCHJYFZSA-N 0 0 425.504 4.859 50 0 IJAARN CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(Br)cc4c3C)cc21 ZINC000028404405 556453715 /nfs/dbraw/zinc/45/37/15/556453715.db2.gz PCQBEBIZURBMJV-UHFFFAOYSA-N 0 0 429.270 4.501 50 0 IJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000072275032 556454419 /nfs/dbraw/zinc/45/44/19/556454419.db2.gz HHKAFTQIZGHFKB-GYCJOSAFSA-N 0 0 443.592 4.524 50 0 IJAARN Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)ccc1Br ZINC000032958366 556455721 /nfs/dbraw/zinc/45/57/21/556455721.db2.gz SVKDCDZZXAOEOJ-UHFFFAOYSA-N 0 0 425.330 4.943 50 0 IJAARN O=c1ccc2cc(S(=O)(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)ccc2o1 ZINC000072275410 556456011 /nfs/dbraw/zinc/45/60/11/556456011.db2.gz OUUVCMGOBZVECX-UHFFFAOYSA-N 0 0 440.908 4.859 50 0 IJAARN O=C(Cc1coc2cc3c(cc12)CCC3)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000013097315 556457923 /nfs/dbraw/zinc/45/79/23/556457923.db2.gz QHQCDDVFNUEMIT-UHFFFAOYSA-N 0 0 437.849 4.760 50 0 IJAARN C[C@@H]1c2cccn2CCN1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000072277418 556458509 /nfs/dbraw/zinc/45/85/09/556458509.db2.gz XHSWIKUZRUXHGA-QGZVFWFLSA-N 0 0 434.927 4.674 50 0 IJAARN Cc1c(C(=O)c2cccc3ccccc32)c2cccc3c2n1[C@@H](CN1CCOCC1)CO3 ZINC000028766051 556460556 /nfs/dbraw/zinc/46/05/56/556460556.db2.gz HQVHOQAKMCMIIM-FQEVSTJZSA-N 0 0 426.516 4.600 50 0 in-vitro IJAARN Cc1ccc(N(CCC(=O)Nc2ccc(C)c(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013109529 556462932 /nfs/dbraw/zinc/46/29/32/556462932.db2.gz AXVOPXXYBZKCQY-UHFFFAOYSA-N 0 0 426.513 4.667 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(N4CCCC4=O)c3)cc12 ZINC000013112975 556466209 /nfs/dbraw/zinc/46/62/09/556466209.db2.gz GVFHWNZWDWDLQG-UHFFFAOYSA-N 0 0 434.496 4.914 50 0 IJAARN Cc1sc2nc(C)nc(SCC(=O)N(C)Cc3nc4ccccc4s3)c2c1C ZINC000013113187 556466527 /nfs/dbraw/zinc/46/65/27/556466527.db2.gz CHUUMPLADIMRNX-UHFFFAOYSA-N 0 0 428.608 4.977 50 0 IJAARN CCSc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)s1 ZINC000013114602 556467080 /nfs/dbraw/zinc/46/70/80/556467080.db2.gz VNQKZKDVWWWKQL-UHFFFAOYSA-N 0 0 429.596 4.979 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)NCc1ccco1 ZINC000013117489 556470100 /nfs/dbraw/zinc/47/01/00/556470100.db2.gz JRUIZNYAXIJKAE-CQSZACIVSA-N 0 0 442.928 4.630 50 0 IJAARN CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cnc21 ZINC000013117655 556470515 /nfs/dbraw/zinc/47/05/15/556470515.db2.gz HPDIGXRPMDAPKQ-JOCHJYFZSA-N 0 0 426.476 4.719 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SCc1cc(C)on1)O[C@H](C)C2 ZINC000013118042 556471453 /nfs/dbraw/zinc/47/14/53/556471453.db2.gz JZKUYHMCHQSXCV-OAHLLOKOSA-N 0 0 438.549 4.927 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(CNC(=O)c4ccccc4)no3)c2n1 ZINC000029298281 556471989 /nfs/dbraw/zinc/47/19/89/556471989.db2.gz IEGCDPMEIFAFJV-UHFFFAOYSA-N 0 0 443.290 4.742 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000013120064 556472046 /nfs/dbraw/zinc/47/20/46/556472046.db2.gz QAUKGCANPAVGIK-UHFFFAOYSA-N 0 0 438.471 4.808 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4sccc4[C@@H]3C)[C@@H](c3ccco3)C2)cc1 ZINC000013120918 556473220 /nfs/dbraw/zinc/47/32/20/556473220.db2.gz XINSPSHBJVEYQQ-HRAATJIYSA-N 0 0 435.549 4.647 50 0 IJAARN COc1ccc(C[C@]2(CCC(=O)NC(c3ccccc3)c3ccccc3)CCC(=O)N2)cc1 ZINC000014989313 556474048 /nfs/dbraw/zinc/47/40/48/556474048.db2.gz VCWIFCKTEAUDPQ-NDEPHWFRSA-N 0 0 442.559 4.573 50 0 IJAARN O=c1c2c3c(sc2nc(S[C@H]2CCCCCC2=O)n1C[C@H]1CCCO1)CCCC3 ZINC000029389252 556474287 /nfs/dbraw/zinc/47/42/87/556474287.db2.gz LAAKIZGLDITJQY-KDOFPFPSSA-N 0 0 432.611 4.510 50 0 IJAARN CCc1ccc([C@H](NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)cc1 ZINC000029428839 556475121 /nfs/dbraw/zinc/47/51/21/556475121.db2.gz JCNFTZZXYMXOHV-YMPIYDPWSA-N 0 0 436.621 4.849 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000013127272 556476021 /nfs/dbraw/zinc/47/60/21/556476021.db2.gz CLWUXKMSFRDJQH-MOPGFXCFSA-N 0 0 431.521 4.747 50 0 IJAARN O=C(CSc1nnnn1C1CCCCC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029526793 556477512 /nfs/dbraw/zinc/47/75/12/556477512.db2.gz NASJPSCLPUWSTO-LJQANCHMSA-N 0 0 445.639 4.568 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000029604041 556478807 /nfs/dbraw/zinc/47/88/07/556478807.db2.gz RKUASSUEJXHIJS-UHFFFAOYSA-N 0 0 427.327 4.721 50 0 IJAARN O=C(CSc1nnnn1Cc1cccs1)N1c2ccccc2Sc2ccccc21 ZINC000029743937 556481137 /nfs/dbraw/zinc/48/11/37/556481137.db2.gz SUNZIBXDILYWEF-UHFFFAOYSA-N 0 0 437.575 4.705 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013133870 556481800 /nfs/dbraw/zinc/48/18/00/556481800.db2.gz VGWVNCFDQMTJFM-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C3CCCCC3)n2N)c2ccccc2)c1 ZINC000013134605 556482545 /nfs/dbraw/zinc/48/25/45/556482545.db2.gz XAVBKAUKLJQAAY-OAQYLSRUSA-N 0 0 449.580 4.714 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(Br)cc3)n2N)cc1 ZINC000013140981 556486020 /nfs/dbraw/zinc/48/60/20/556486020.db2.gz SPBRMOKFSJOIHG-UHFFFAOYSA-N 0 0 447.402 4.923 50 0 IJAARN COCCN(Cc1cccs1)C(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000029916267 556486629 /nfs/dbraw/zinc/48/66/29/556486629.db2.gz KURMZXVUTCUKHS-UHFFFAOYSA-N 0 0 436.002 4.663 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1cccnc1 ZINC000013141717 556486920 /nfs/dbraw/zinc/48/69/20/556486920.db2.gz ZCDLFNPSKHFWTH-ILZDJORESA-N 0 0 435.597 4.671 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccccc2)c1 ZINC000013146471 556488376 /nfs/dbraw/zinc/48/83/76/556488376.db2.gz BAYAHNUOHVCUDI-DEOSSOPVSA-N 0 0 427.456 4.947 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030627 556489166 /nfs/dbraw/zinc/48/91/66/556489166.db2.gz VKYJCQXWIBMZTM-OAHLLOKOSA-N 0 0 440.897 4.602 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000013148861 556490311 /nfs/dbraw/zinc/49/03/11/556490311.db2.gz URGHJZSHTDPTIH-UHFFFAOYSA-N 0 0 437.879 4.765 50 0 IJAARN CCCCN(C)C(=O)c1sc2ncnc(NCc3cccc(OC)c3OC)c2c1C ZINC000015067460 556493391 /nfs/dbraw/zinc/49/33/91/556493391.db2.gz HISYDRXTLKIBNY-UHFFFAOYSA-N 0 0 428.558 4.501 50 0 IJAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnnn3C[C@H]3CCCO3)c3ccccc3)c[nH]c21 ZINC000013163935 556495053 /nfs/dbraw/zinc/49/50/53/556495053.db2.gz XEDJIPGIKYRRQX-JPYJTQIMSA-N 0 0 447.564 4.612 50 0 IJAARN CCc1cccc2c(C(=O)[C@H](Sc3nnnn3C[C@H]3CCCO3)c3ccccc3)c[nH]c21 ZINC000013163936 556495058 /nfs/dbraw/zinc/49/50/58/556495058.db2.gz XEDJIPGIKYRRQX-WZONZLPQSA-N 0 0 447.564 4.612 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000030479632 556495123 /nfs/dbraw/zinc/49/51/23/556495123.db2.gz ODIYONSYYVCBBZ-UHFFFAOYSA-N 0 0 427.863 4.931 50 0 IJAARN COc1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)c(OC)c1 ZINC000013164295 556496118 /nfs/dbraw/zinc/49/61/18/556496118.db2.gz UGXFWPSCCNPCHK-UHFFFAOYSA-N 0 0 425.666 4.749 50 0 IJAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCC[C@@H](C)C2)CCC3)c(C)c1 ZINC000004554268 556502864 /nfs/dbraw/zinc/50/28/64/556502864.db2.gz RCKWVADTESWWOU-MRXNPFEDSA-N 0 0 425.598 4.776 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)ccc1O ZINC000015106701 556504200 /nfs/dbraw/zinc/50/42/00/556504200.db2.gz TTZCXIHUEVXJTA-OAHLLOKOSA-N 0 0 426.469 4.636 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)CCc1ncc(-c3ccc(Cl)cc3)o1)CC2 ZINC000032879300 556505267 /nfs/dbraw/zinc/50/52/67/556505267.db2.gz ZKGFAOUWHSGCFM-UHFFFAOYSA-N 0 0 426.900 4.530 50 0 IJAARN CC(=O)N[C@@H](CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccs1 ZINC000032879906 556507553 /nfs/dbraw/zinc/50/75/53/556507553.db2.gz FDTUSCZLAPNQCD-VGXSYGJXSA-N 0 0 430.573 4.729 50 0 IJAARN CC(=O)N[C@H](CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccs1 ZINC000032879907 556507632 /nfs/dbraw/zinc/50/76/32/556507632.db2.gz FDTUSCZLAPNQCD-KHBNHNKUSA-N 0 0 430.573 4.729 50 0 IJAARN CCc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013513473 556510880 /nfs/dbraw/zinc/51/08/80/556510880.db2.gz KMJOFSKFCDJDQS-QGZVFWFLSA-N 0 0 448.009 4.947 50 0 IJAARN Cc1cc2c(cc1C)n([C@H]1CC(=O)[C@@H]3OC[C@H]1O3)c(=S)n2Cc1ccccc1Cl ZINC000015218300 556511667 /nfs/dbraw/zinc/51/16/67/556511667.db2.gz RFAHFSKNQAUVLL-CEWLAPEOSA-N 0 0 428.941 4.746 50 0 IJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000011072694 556518576 /nfs/dbraw/zinc/51/85/76/556518576.db2.gz QEVZPFCEOURSNS-VWLOTQADSA-N 0 0 445.563 4.637 50 0 IJAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073476 556518998 /nfs/dbraw/zinc/51/89/98/556518998.db2.gz OEAABXBCYJLPIU-IBGZPJMESA-N 0 0 437.543 4.684 50 0 IJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011073481 556519006 /nfs/dbraw/zinc/51/90/06/556519006.db2.gz OEAABXBCYJLPIU-LJQANCHMSA-N 0 0 437.543 4.684 50 0 IJAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cn1 ZINC000013568308 556520980 /nfs/dbraw/zinc/52/09/80/556520980.db2.gz OFMJMLFMSCQANI-UHFFFAOYSA-N 0 0 432.307 4.507 50 0 IJAARN COc1cc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc(OC)c1OC ZINC000013568802 556521310 /nfs/dbraw/zinc/52/13/10/556521310.db2.gz VDUVWQJVROJGFZ-UHFFFAOYSA-N 0 0 434.448 4.787 50 0 IJAARN Cc1cc2occ(CC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c2cc1C(C)C ZINC000032893712 556521319 /nfs/dbraw/zinc/52/13/19/556521319.db2.gz OSGMEQAPBZHHOC-UHFFFAOYSA-N 0 0 447.579 4.626 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(Sc2ccccn2)CC1 ZINC000072298002 556523323 /nfs/dbraw/zinc/52/33/23/556523323.db2.gz PPKHEXPOGHTCIX-UHFFFAOYSA-N 0 0 440.594 4.771 50 0 IJAARN COc1ccc([C@@H]2CCCN2Cc2cc(OC)c(OC)cc2Br)c(OC)c1 ZINC000015367303 556523343 /nfs/dbraw/zinc/52/33/43/556523343.db2.gz KYFPJTIISXLMTD-SFHVURJKSA-N 0 0 436.346 4.821 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(-c2ccncc2)nn1C ZINC000072300847 556523573 /nfs/dbraw/zinc/52/35/73/556523573.db2.gz FOSNMWWGDTZATF-UHFFFAOYSA-N 0 0 437.507 4.727 50 0 IJAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000015413010 556525747 /nfs/dbraw/zinc/52/57/47/556525747.db2.gz LWRLQXPKBMWVMJ-AREMUKBSSA-N 0 0 444.531 4.832 50 0 IJAARN O=C(Nc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)s1)c1ccco1 ZINC000032899362 556530512 /nfs/dbraw/zinc/53/05/12/556530512.db2.gz LHOZZUYFGAJCIJ-FQEVSTJZSA-N 0 0 438.505 4.504 50 0 IJAARN COc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3cc(OC)ccc3O2)cc1 ZINC000013609493 556534166 /nfs/dbraw/zinc/53/41/66/556534166.db2.gz PKDKJRHLDYQPIP-FLFQWRMESA-N 0 0 425.440 4.852 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2CC(C)C)cc1 ZINC000032579577 556541502 /nfs/dbraw/zinc/54/15/02/556541502.db2.gz NNQAMRNYHDOVPI-UHFFFAOYSA-N 0 0 442.560 4.712 50 0 IJAARN Cc1cc(Br)ccc1SCC(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000072303611 556547381 /nfs/dbraw/zinc/54/73/81/556547381.db2.gz SXPVTZWSLXUSBS-UHFFFAOYSA-N 0 0 446.326 4.607 50 0 IJAARN Cc1ccc(Oc2ccccc2NC(=O)CCNC(=O)CCC(=O)c2cccs2)cc1 ZINC000015757154 556548883 /nfs/dbraw/zinc/54/88/83/556548883.db2.gz DOZQLRSWLXTODJ-UHFFFAOYSA-N 0 0 436.533 4.957 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000015768703 556549478 /nfs/dbraw/zinc/54/94/78/556549478.db2.gz WCLARBOVYKNZBG-UHFFFAOYSA-N 0 0 437.297 4.752 50 0 IJAARN CC(C)c1ccc(NC(=O)CCn2cnc3onc(-c4ccccc4Cl)c3c2=O)cc1 ZINC000032933724 556549932 /nfs/dbraw/zinc/54/99/32/556549932.db2.gz WEBIBHXHVGVKNS-UHFFFAOYSA-N 0 0 436.899 4.857 50 0 IJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2 ZINC000015778853 556550844 /nfs/dbraw/zinc/55/08/44/556550844.db2.gz QTGKISJEVRXOSR-UHFFFAOYSA-N 0 0 431.359 4.611 50 0 IJAARN CCOc1cccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3)c2)c1OCC ZINC000032998441 556552561 /nfs/dbraw/zinc/55/25/61/556552561.db2.gz FBYXWVQJRVJLLP-UHFFFAOYSA-N 0 0 448.519 4.926 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 ZINC000022966385 556552946 /nfs/dbraw/zinc/55/29/46/556552946.db2.gz QWWZJFAOPFHVQT-LAUBAEHRSA-N 0 0 426.925 4.943 50 0 IJAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000033269905 556557993 /nfs/dbraw/zinc/55/79/93/556557993.db2.gz FGKSVAKNIJDSCM-SFHVURJKSA-N 0 0 437.450 4.916 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1 ZINC000033274674 556558660 /nfs/dbraw/zinc/55/86/60/556558660.db2.gz DWBYVMSMPYNEET-UHFFFAOYSA-N 0 0 440.609 4.776 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N(C)Cc2ccco2)cc1 ZINC000015860967 556558700 /nfs/dbraw/zinc/55/87/00/556558700.db2.gz XGCAPNBLVVTEJU-UHFFFAOYSA-N 0 0 436.537 4.708 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc1 ZINC000015869220 556560026 /nfs/dbraw/zinc/56/00/26/556560026.db2.gz ALJFXDWYENVEAV-UHFFFAOYSA-N 0 0 447.495 4.549 50 0 IJAARN Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CCN(c2cccc(Cl)c2)CC1 ZINC000015880920 556560518 /nfs/dbraw/zinc/56/05/18/556560518.db2.gz YZDRLXZAAWXORI-UHFFFAOYSA-N 0 0 439.350 4.757 50 0 IJAARN CCOC(=O)c1sc2ncnc(N[C@H](CC(=O)OC(C)C)c3ccccc3)c2c1C ZINC000072307598 556562752 /nfs/dbraw/zinc/56/27/52/556562752.db2.gz RNCVALBBVAJARA-MRXNPFEDSA-N 0 0 427.526 4.671 50 0 IJAARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000032908143 556564160 /nfs/dbraw/zinc/56/41/60/556564160.db2.gz ZMPZVSRCNQIGEY-LJQCHSNASA-N 0 0 427.614 4.678 50 0 IJAARN NC(=O)c1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000015982104 556570903 /nfs/dbraw/zinc/57/09/03/556570903.db2.gz JNGZRDWPXNMYKE-VWLOTQADSA-N 0 0 449.510 4.695 50 0 IJAARN CN(CCc1noc(COc2cccc(Cl)c2)n1)C(=O)c1ccccc1C(F)(F)F ZINC000032961057 556571851 /nfs/dbraw/zinc/57/18/51/556571851.db2.gz AMGPUUVTLAAVIT-UHFFFAOYSA-N 0 0 439.821 4.636 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000071326438 556572206 /nfs/dbraw/zinc/57/22/06/556572206.db2.gz LUXUCOIWTROUPO-UHFFFAOYSA-N 0 0 441.988 4.823 50 0 IJAARN COC(=O)c1cc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)cc(C(=O)OC)c1 ZINC000001004360 556573724 /nfs/dbraw/zinc/57/37/24/556573724.db2.gz CQYROMQMFGFVDB-UHFFFAOYSA-N 0 0 427.840 4.734 50 0 IJAARN O=C(CC1CCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1)N1CCCC1 ZINC000072311017 556577281 /nfs/dbraw/zinc/57/72/81/556577281.db2.gz MSXWMSIHJOPHSK-UHFFFAOYSA-N 0 0 439.003 4.905 50 0 IJAARN O=C(OCC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000016043538 556578437 /nfs/dbraw/zinc/57/84/37/556578437.db2.gz OYIVDXBFZBPZOV-UHFFFAOYSA-N 0 0 428.532 4.818 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(-c2nnco2)c1 ZINC000072311281 556580121 /nfs/dbraw/zinc/58/01/21/556580121.db2.gz GNFPGWDXICGLDX-UHFFFAOYSA-N 0 0 438.875 4.883 50 0 IJAARN O=C(NCc1ccccc1F)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709689 556581158 /nfs/dbraw/zinc/58/11/58/556581158.db2.gz UDZWPUMIMNTKJB-FCHUYYIVSA-N 0 0 434.486 4.527 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)ccc21 ZINC000032911019 556581993 /nfs/dbraw/zinc/58/19/93/556581993.db2.gz SWMMVVGOAGWGCH-UHFFFAOYSA-N 0 0 428.517 4.782 50 0 IJAARN COc1cc(F)c(S(=O)(=O)N([C@H](C)c2cccc3ccccc32)C2CC2)cc1OC ZINC000032911857 556585260 /nfs/dbraw/zinc/58/52/60/556585260.db2.gz WWNUZQYMZIESGC-OAHLLOKOSA-N 0 0 429.513 4.910 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034889470 556585867 /nfs/dbraw/zinc/58/58/67/556585867.db2.gz LWHQQICNECELPM-RBOXIYTFSA-N 0 0 439.305 4.985 50 0 IJAARN CCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016161764 556586242 /nfs/dbraw/zinc/58/62/42/556586242.db2.gz HZAGAQPBOWGRLV-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2OC)n1 ZINC000036068943 556592154 /nfs/dbraw/zinc/59/21/54/556592154.db2.gz RLYAADJTJRIGLP-UHFFFAOYSA-N 0 0 447.457 4.654 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083870 556592859 /nfs/dbraw/zinc/59/28/59/556592859.db2.gz WAAIEOTZFVNUOW-DEOSSOPVSA-N 0 0 436.552 4.821 50 0 IJAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000016267693 556595880 /nfs/dbraw/zinc/59/58/80/556595880.db2.gz WSUYZKKZUFCZQB-IAGOWNOFSA-N 0 0 430.287 4.806 50 0 IJAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000016267702 556595911 /nfs/dbraw/zinc/59/59/11/556595911.db2.gz WSUYZKKZUFCZQB-CALCHBBNSA-N 0 0 430.287 4.806 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000032975174 556598432 /nfs/dbraw/zinc/59/84/32/556598432.db2.gz GOQJYFMQYVYXJR-UHFFFAOYSA-N 0 0 434.496 4.633 50 0 IJAARN CCOc1ccc(NC(=O)Nc2nn(Cc3ccc(F)cc3)cc2Br)cc1 ZINC000016346674 556601628 /nfs/dbraw/zinc/60/16/28/556601628.db2.gz BPWILSWFRZNKDY-UHFFFAOYSA-N 0 0 433.281 4.876 50 0 IJAARN O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCN(Cc2ccccc2)CC1 ZINC000016361726 556602693 /nfs/dbraw/zinc/60/26/93/556602693.db2.gz LGALQIJNMPNPHA-HSZRJFAPSA-N 0 0 434.967 4.912 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 ZINC000032983582 556603512 /nfs/dbraw/zinc/60/35/12/556603512.db2.gz OPJRWPNGGLGEES-LJQANCHMSA-N 0 0 433.558 4.851 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@@H]1C ZINC000037623577 556605253 /nfs/dbraw/zinc/60/52/53/556605253.db2.gz OFMRYVGAPLYNKU-OALUTQOASA-N 0 0 426.561 4.531 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1C ZINC000016425907 556606552 /nfs/dbraw/zinc/60/65/52/556606552.db2.gz AMBOZXQWGFXVKQ-UHFFFAOYSA-N 0 0 430.476 4.943 50 0 IJAARN CCC(CC)c1nnc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000032994585 556609441 /nfs/dbraw/zinc/60/94/41/556609441.db2.gz RQELGKHTISJZKL-FBXSJCODSA-N 0 0 430.618 4.588 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N[C@@H](c2cccs2)C(C)C)s1 ZINC000032995373 556610233 /nfs/dbraw/zinc/61/02/33/556610233.db2.gz MWGWAPYWSPPXJW-HXUWFJFHSA-N 0 0 442.610 4.997 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016487745 556611723 /nfs/dbraw/zinc/61/17/23/556611723.db2.gz XHKXNJILMDZVQQ-UHFFFAOYSA-N 0 0 436.533 4.518 50 0 IJAARN Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCC4)c3)no2)cc1NC(=O)c1ccco1 ZINC000032996612 556612060 /nfs/dbraw/zinc/61/20/60/556612060.db2.gz UPOFIHVKZHMJLE-UHFFFAOYSA-N 0 0 442.475 4.793 50 0 IJAARN O=C(NCc1ccco1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998895 556626749 /nfs/dbraw/zinc/62/67/49/556626749.db2.gz CLRGKWXBFUAOQT-UHFFFAOYSA-N 0 0 437.908 4.560 50 0 IJAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2Cl)c1 ZINC000033767606 556631375 /nfs/dbraw/zinc/63/13/75/556631375.db2.gz CPYZEIKAXZMMRX-KWOQKUFVSA-N 0 0 429.944 4.866 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@@H](C)SC2=N1 ZINC000016733896 556632512 /nfs/dbraw/zinc/63/25/12/556632512.db2.gz IFFCNASMZGPEQY-BZNIZROVSA-N 0 0 427.353 4.841 50 0 IJAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCc1cccs1 ZINC000033778275 556632857 /nfs/dbraw/zinc/63/28/57/556632857.db2.gz LPSNRLUAJWDSNZ-NRFANRHFSA-N 0 0 446.576 4.685 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2nc(-c3ccccc3)nn12 ZINC000016735329 556633000 /nfs/dbraw/zinc/63/30/00/556633000.db2.gz VLHKPQGSCSIICL-PDGQHHTCSA-N 0 0 439.418 4.645 50 0 IJAARN COCCCn1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000016735572 556633026 /nfs/dbraw/zinc/63/30/26/556633026.db2.gz KEEPCGZEJSMDEY-AWEZNQCLSA-N 0 0 448.951 4.893 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3ccc(F)cc3F)C2)cc1 ZINC000097938709 556634961 /nfs/dbraw/zinc/63/49/61/556634961.db2.gz JHRFXDGZCFPRAX-KRWDZBQOSA-N 0 0 449.461 4.864 50 0 IJAARN CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 ZINC000016749740 556636849 /nfs/dbraw/zinc/63/68/49/556636849.db2.gz ZMCIOQGPXAYHKZ-HSZRJFAPSA-N 0 0 435.520 4.944 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1OCC ZINC000016753873 556638737 /nfs/dbraw/zinc/63/87/37/556638737.db2.gz BLJLXCFEQUIGJA-HNNXBMFYSA-N 0 0 425.485 4.502 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413717 556641113 /nfs/dbraw/zinc/64/11/13/556641113.db2.gz GNIYWDDLZNDNHV-HSZRJFAPSA-N 0 0 443.503 4.843 50 0 IJAARN COC(=O)c1cccc(CN2C(=O)C[C@@H](c3cccc(C)c3)C(C(=O)OC(C)C)=C2C)c1 ZINC000037574911 556643201 /nfs/dbraw/zinc/64/32/01/556643201.db2.gz WASGUKVXLAZWFI-QFIPXVFZSA-N 0 0 435.520 4.523 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)CCSC2=N1 ZINC000016805207 556643400 /nfs/dbraw/zinc/64/34/00/556643400.db2.gz VGASOQAKIXPHTE-KRWDZBQOSA-N 0 0 427.353 4.843 50 0 IJAARN C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)(C)C)CC2)C(=O)N1CCCC1 ZINC000037604046 556645543 /nfs/dbraw/zinc/64/55/43/556645543.db2.gz QREFYFWFFWGDKM-DVECYGJZSA-N 0 0 434.580 4.597 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NC(C)C)cc2[C@H]1c1ccc(F)cc1 ZINC000037603558 556645551 /nfs/dbraw/zinc/64/55/51/556645551.db2.gz XTNZJXNZRQHVHC-IQGLISFBSA-N 0 0 440.559 4.638 50 0 IJAARN CCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)CC)CC3)o1 ZINC000037605440 556645594 /nfs/dbraw/zinc/64/55/94/556645594.db2.gz ILVRUDRHRWVRRG-AREMUKBSSA-N 0 0 446.547 4.801 50 0 IJAARN CCn1c(SCC(=O)NCc2ccc(C)cc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845071 556646852 /nfs/dbraw/zinc/64/68/52/556646852.db2.gz BGBPBNOJZREJLA-UHFFFAOYSA-N 0 0 449.601 4.862 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000016890712 556648307 /nfs/dbraw/zinc/64/83/07/556648307.db2.gz JKISECXUKHMNAV-UHFFFAOYSA-N 0 0 436.924 4.983 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000016902522 556648490 /nfs/dbraw/zinc/64/84/90/556648490.db2.gz CDPJAWDIASQRNL-HXUWFJFHSA-N 0 0 432.568 4.514 50 0 IJAARN COc1ccc(OC)c(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1 ZINC000016944506 556649505 /nfs/dbraw/zinc/64/95/05/556649505.db2.gz XRCPMRGZKRTVJK-UHFFFAOYSA-N 0 0 442.479 4.781 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(C)cc4)s3)c2C)cc1 ZINC000038487651 556649673 /nfs/dbraw/zinc/64/96/73/556649673.db2.gz KEVOAQBYCOHSGB-UHFFFAOYSA-N 0 0 447.564 4.645 50 0 IJAARN O=C(Nc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1)c1cccs1 ZINC000011751888 556651187 /nfs/dbraw/zinc/65/11/87/556651187.db2.gz YGGZVBVLPDNEJB-UHFFFAOYSA-N 0 0 437.502 4.634 50 0 IJAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)Nc3ccc(C)cc3C)c(=O)c12 ZINC000032999227 556652955 /nfs/dbraw/zinc/65/29/55/556652955.db2.gz SXYUWFYRJMADSP-UHFFFAOYSA-N 0 0 432.499 4.589 50 0 IJAARN CCCCOc1ccc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 ZINC000038736346 556653902 /nfs/dbraw/zinc/65/39/02/556653902.db2.gz SHJHMXAPWSZLGY-UHFFFAOYSA-N 0 0 426.567 4.671 50 0 IJAARN COCCCNc1nc2ccccc2n(CC(=O)Nc2ccc(C3CCCCC3)cc2)c1=O ZINC000032928681 556656920 /nfs/dbraw/zinc/65/69/20/556656920.db2.gz LRIIUUCAVLDFMH-UHFFFAOYSA-N 0 0 448.567 4.531 50 0 IJAARN Cc1scc(-c2nnc(SCC(=O)NC3CCCC3)n2C)c1-c1ccc(C)cc1 ZINC000017095092 556658347 /nfs/dbraw/zinc/65/83/47/556658347.db2.gz QNXHZHBSCFPILA-UHFFFAOYSA-N 0 0 426.611 4.978 50 0 IJAARN O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccccc1SC(F)F ZINC000011837437 556659961 /nfs/dbraw/zinc/65/99/61/556659961.db2.gz SBTISCQPVJVQHZ-UHFFFAOYSA-N 0 0 449.504 4.865 50 0 IJAARN CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000017097294 556661500 /nfs/dbraw/zinc/66/15/00/556661500.db2.gz VEOZIIATZCZXRS-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cn1nc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c(Br)c1C(F)(F)F ZINC000017097346 556661513 /nfs/dbraw/zinc/66/15/13/556661513.db2.gz BZMFZUUAQDBNHM-UHFFFAOYSA-N 0 0 431.256 4.719 50 0 IJAARN COc1ccc(-c2c(C)c3cc(OCC(=O)OCc4ccccc4)ccc3oc2=O)cc1 ZINC000011865098 556664704 /nfs/dbraw/zinc/66/47/04/556664704.db2.gz GXNFPRUPTYQFIO-UHFFFAOYSA-N 0 0 430.456 4.899 50 0 IJAARN c1ccc(CC[C@H]2COC(c3cccc(C4=N[C@@H](CCc5ccccc5)CO4)n3)=N2)cc1 ZINC000043763954 556665320 /nfs/dbraw/zinc/66/53/20/556665320.db2.gz IYRZZMJRGHERQU-GOTSBHOMSA-N 0 0 425.532 4.638 50 0 IJAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)Nc1ccc(F)cc1 ZINC000017191644 556672279 /nfs/dbraw/zinc/67/22/79/556672279.db2.gz YKDOOJVNCLFRRK-UHFFFAOYSA-N 0 0 434.496 4.596 50 0 IJAARN COCCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1cccc(C)c1 ZINC000010620520 556678016 /nfs/dbraw/zinc/67/80/16/556678016.db2.gz VQKVSXNQOFSXOO-UHFFFAOYSA-N 0 0 436.537 4.856 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999208 556679913 /nfs/dbraw/zinc/67/99/13/556679913.db2.gz YZXWFEZIHHVFGJ-UHFFFAOYSA-N 0 0 432.851 4.541 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000017987889 556680977 /nfs/dbraw/zinc/68/09/77/556680977.db2.gz GJCSTILUVXXYAX-SJORKVTESA-N 0 0 428.410 4.803 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000238924261 556682042 /nfs/dbraw/zinc/68/20/42/556682042.db2.gz RMLFKCDGCNEORG-SAABIXHNSA-N 0 0 443.540 4.900 50 0 IJAARN CCCCOC(=O)[C@@H](CCCC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018042322 556682225 /nfs/dbraw/zinc/68/22/25/556682225.db2.gz OQPAMSKMUVBUBD-HJGXUNPXSA-N 0 0 445.559 4.781 50 0 IJAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000010628743 556683008 /nfs/dbraw/zinc/68/30/08/556683008.db2.gz HHZDIQZEXGJDBV-MRXNPFEDSA-N 0 0 429.851 4.761 50 0 IJAARN COc1cccnc1NC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000060330436 556686810 /nfs/dbraw/zinc/68/68/10/556686810.db2.gz FWLNZJUJCNYMHI-UHFFFAOYSA-N 0 0 445.426 4.671 50 0 IJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(OC)cc2)N3)cc1 ZINC000018210233 556687076 /nfs/dbraw/zinc/68/70/76/556687076.db2.gz UVZHTUDICVMEQI-PKOBYXMFSA-N 0 0 446.429 4.813 50 0 IJAARN O=C(COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000018243939 556687620 /nfs/dbraw/zinc/68/76/20/556687620.db2.gz XIAWKANNUUCSBD-IRXDYDNUSA-N 0 0 432.303 4.935 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033026055 556702170 /nfs/dbraw/zinc/70/21/70/556702170.db2.gz VUCXCAXJEDOSON-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN Cc1ccc(C(=O)NCCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)cc1F ZINC000033026112 556702271 /nfs/dbraw/zinc/70/22/71/556702271.db2.gz WCRLQBQIUCGDFP-UHFFFAOYSA-N 0 0 436.531 4.512 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccc(C)c4)c3)C2)cc1 ZINC000033034715 556716949 /nfs/dbraw/zinc/71/69/49/556716949.db2.gz BKCXTDWPBHBRDC-VWLOTQADSA-N 0 0 442.559 4.953 50 0 biogenic IJAARN COCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035419 556717752 /nfs/dbraw/zinc/71/77/52/556717752.db2.gz NRQUEDXDBAQRQY-IBGZPJMESA-N 0 0 429.948 4.518 50 0 IJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)C1 ZINC000033035882 556718686 /nfs/dbraw/zinc/71/86/86/556718686.db2.gz WEVOLFJKYHUFLA-IBGZPJMESA-N 0 0 433.474 4.544 50 0 IJAARN O=C(c1cnc2ccccc2c1N1CCN(c2ccccc2Cl)CC1)N1CCCCC1 ZINC000072328378 556725140 /nfs/dbraw/zinc/72/51/40/556725140.db2.gz PXKKRCHIOBVWNZ-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)Sc2nccn(-c3ccc(Br)cc3)c2=O)cc1C ZINC000033039858 556731601 /nfs/dbraw/zinc/73/16/01/556731601.db2.gz OIXMEIQDVOPHPR-HNNXBMFYSA-N 0 0 443.366 4.975 50 0 IJAARN CCCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000024325486 556732939 /nfs/dbraw/zinc/73/29/39/556732939.db2.gz XXFHMLGTUVLGQT-UHFFFAOYSA-N 0 0 429.442 4.612 50 0 IJAARN CCSc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055088367 556733914 /nfs/dbraw/zinc/73/39/14/556733914.db2.gz KOIUUBRFFPJUOB-OAQYLSRUSA-N 0 0 449.580 4.769 50 0 IJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 ZINC000019296318 556734493 /nfs/dbraw/zinc/73/44/93/556734493.db2.gz KTRVGZJELUFTNK-UHFFFAOYSA-N 0 0 436.924 4.609 50 0 IJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(c2cnccn2)CC1 ZINC000055120112 556735332 /nfs/dbraw/zinc/73/53/32/556735332.db2.gz GWENIXMCOYQPTO-UHFFFAOYSA-N 0 0 427.508 4.555 50 0 IJAARN COc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)c(OC)c1C ZINC000055447646 556741401 /nfs/dbraw/zinc/74/14/01/556741401.db2.gz KJJJGGKJFOHOCE-DEOSSOPVSA-N 0 0 443.551 4.518 50 0 IJAARN CCC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000060367515 556748305 /nfs/dbraw/zinc/74/83/05/556748305.db2.gz TWQCIQNASNAONQ-GOSISDBHSA-N 0 0 433.405 4.662 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)ccc2s1 ZINC000057994846 556751453 /nfs/dbraw/zinc/75/14/53/556751453.db2.gz PQXPGBRXCMCRPI-ZDUSSCGKSA-N 0 0 425.510 4.919 50 0 IJAARN CCN(Cc1cccc(F)c1)C(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 ZINC000058061936 556756085 /nfs/dbraw/zinc/75/60/85/556756085.db2.gz XLXSDCOTLHQNBS-UHFFFAOYSA-N 0 0 437.496 4.610 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)cnn1-c1ccc(F)cc1 ZINC000058103675 556758560 /nfs/dbraw/zinc/75/85/60/556758560.db2.gz DFJKZAXKOJCCIG-QGZVFWFLSA-N 0 0 434.515 4.895 50 0 IJAARN Cc1csc([C@](O)(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C(F)(F)F)n1 ZINC000058140390 556761104 /nfs/dbraw/zinc/76/11/04/556761104.db2.gz FQWJXSJJIWHVEP-GHTZIAJQSA-N 0 0 434.483 4.692 50 0 IJAARN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CCC(=O)c3ccc(Cl)s3)ccc21 ZINC000058149689 556761979 /nfs/dbraw/zinc/76/19/79/556761979.db2.gz BJROPMOKRSSDHM-UHFFFAOYSA-N 0 0 445.972 4.826 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 ZINC000005271522 556762074 /nfs/dbraw/zinc/76/20/74/556762074.db2.gz HQWWAKOVZTWMCU-UHFFFAOYSA-N 0 0 429.513 4.606 50 0 IJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000058158650 556763533 /nfs/dbraw/zinc/76/35/33/556763533.db2.gz VHSXQDDVLOLPIU-OALUTQOASA-N 0 0 446.532 4.997 50 0 IJAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000058158772 556763568 /nfs/dbraw/zinc/76/35/68/556763568.db2.gz YGBWQDRMNUCUHN-UHFFFAOYSA-N 0 0 437.927 4.599 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000058159492 556763764 /nfs/dbraw/zinc/76/37/64/556763764.db2.gz RDJXPHAKQIZTPN-INIZCTEOSA-N 0 0 437.462 4.586 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccc3[nH]ccc3c1)C(=O)OC2 ZINC000062001705 556764602 /nfs/dbraw/zinc/76/46/02/556764602.db2.gz LMQJCZHJPUYCCT-LNKIKWGQSA-N 0 0 434.492 4.769 50 0 biogenic IJAARN Cc1nc(COc2ccc(CNCc3cn4cc(Br)ccc4n3)cc2)cs1 ZINC000058161700 556765467 /nfs/dbraw/zinc/76/54/67/556765467.db2.gz RZSUQIOXLLFVBY-UHFFFAOYSA-N 0 0 443.370 4.731 50 0 IJAARN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000058166332 556766536 /nfs/dbraw/zinc/76/65/36/556766536.db2.gz WFGKRKQLOWUTNM-UHFFFAOYSA-N 0 0 449.967 4.855 50 0 IJAARN O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c2sc(-c3ccccc3)cc21 ZINC000058171264 556768347 /nfs/dbraw/zinc/76/83/47/556768347.db2.gz RESSXRFUOSODBY-LJQANCHMSA-N 0 0 445.544 4.760 50 0 IJAARN COc1cc([C@H](C)NC(=O)N(Cc2cccc(O)c2)C2CC2)ccc1OCc1ccncc1 ZINC000058202280 556771056 /nfs/dbraw/zinc/77/10/56/556771056.db2.gz GLIATDVIPJKSBU-SFHVURJKSA-N 0 0 447.535 4.810 50 0 IJAARN CC(=O)c1ccc(N2CCN([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)cc1 ZINC000058219011 556773164 /nfs/dbraw/zinc/77/31/64/556773164.db2.gz MOSHVHFHZWOYPU-RUZDIDTESA-N 0 0 431.511 4.530 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1 ZINC000058226931 556773771 /nfs/dbraw/zinc/77/37/71/556773771.db2.gz VFLGTHSJFRUSKL-DLBZAZTESA-N 0 0 438.553 4.855 50 0 IJAARN O=C(N[C@H](CC1CCCCC1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000058297791 556778371 /nfs/dbraw/zinc/77/83/71/556778371.db2.gz SYQVSANFOGGSDA-HSZRJFAPSA-N 0 0 426.582 4.668 50 0 IJAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000011174741 556778619 /nfs/dbraw/zinc/77/86/19/556778619.db2.gz BAKCDOAUEHMYII-UHFFFAOYSA-N 0 0 440.849 4.772 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000058414764 556786515 /nfs/dbraw/zinc/78/65/15/556786515.db2.gz PEHIPOONIKJTQB-OAHLLOKOSA-N 0 0 425.326 4.803 50 0 IJAARN O=C(NCc1cc2ccccc2[nH]1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000058419128 556787052 /nfs/dbraw/zinc/78/70/52/556787052.db2.gz SPBSOTAVZVSVIZ-UHFFFAOYSA-N 0 0 436.865 4.768 50 0 IJAARN CC(=O)Nc1ccc(Cl)cc1NC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000058905509 556792763 /nfs/dbraw/zinc/79/27/63/556792763.db2.gz GVJCHGBHBYOIQN-UHFFFAOYSA-N 0 0 434.721 4.963 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001518241 556797477 /nfs/dbraw/zinc/79/74/77/556797477.db2.gz OWNFHGUDFDXZCI-UHFFFAOYSA-N 0 0 436.533 4.906 50 0 IJAARN CC(C)Sc1ccccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000059363088 556798884 /nfs/dbraw/zinc/79/88/84/556798884.db2.gz TVUVRQVIMWHJBG-UHFFFAOYSA-N 0 0 425.550 4.693 50 0 IJAARN Cc1sc2nc(SCC(=O)N(C)c3ccccc3)n(Cc3ccccc3)c(=O)c2c1C ZINC000002616585 556800292 /nfs/dbraw/zinc/80/02/92/556800292.db2.gz WYBQJXSIQFUMAX-UHFFFAOYSA-N 0 0 449.601 4.878 50 0 IJAARN COc1ccc(Oc2cc(CNS(=O)(=O)c3c(Cl)cccc3Cl)ccn2)cc1 ZINC000059829548 556804624 /nfs/dbraw/zinc/80/46/24/556804624.db2.gz UPIDHFIMQKIVTK-UHFFFAOYSA-N 0 0 439.320 4.668 50 0 IJAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000003271022 556807643 /nfs/dbraw/zinc/80/76/43/556807643.db2.gz HHMYEHKUSHAULK-SFHVURJKSA-N 0 0 448.382 4.587 50 0 IJAARN FC(F)(F)c1ccccc1NC(=S)NNC(=S)Nc1ccccc1C(F)(F)F ZINC000003272584 556807910 /nfs/dbraw/zinc/80/79/10/556807910.db2.gz IOBHDZXKSKNKEX-UHFFFAOYSA-N 0 0 438.422 4.912 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000003282471 556808447 /nfs/dbraw/zinc/80/84/47/556808447.db2.gz WCPWRPLSMFBNNL-BJMVGYQFSA-N 0 0 428.897 4.667 50 0 IJAARN C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 ZINC000003309363 556809364 /nfs/dbraw/zinc/80/93/64/556809364.db2.gz VEQJMVQVKGFDEJ-BBRMVZONSA-N 0 0 449.001 4.958 50 0 IJAARN COc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003300243 556811285 /nfs/dbraw/zinc/81/12/85/556811285.db2.gz NXYQIMIOTDEDBJ-GOSISDBHSA-N 0 0 435.476 4.827 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C ZINC000003328668 556812293 /nfs/dbraw/zinc/81/22/93/556812293.db2.gz VHYVQPYHNURJFM-UHFFFAOYSA-N 0 0 440.304 4.979 50 0 IJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Br)cc1 ZINC000003371600 556812309 /nfs/dbraw/zinc/81/23/09/556812309.db2.gz SNBCAVMAFFNBIE-UHFFFAOYSA-N 0 0 425.282 4.988 50 0 IJAARN CCOC(=O)c1cc(OCC(=O)Nc2ccccc2-c2ccccc2)cc(C(=O)OCC)c1 ZINC000011209763 556814374 /nfs/dbraw/zinc/81/43/74/556814374.db2.gz IRBJZKIQSADPRX-UHFFFAOYSA-N 0 0 447.487 4.725 50 0 IJAARN COc1ccc([C@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000003432768 556815429 /nfs/dbraw/zinc/81/54/29/556815429.db2.gz GNRGMTIHNLKSMA-PTHHNIJRSA-N 0 0 440.499 4.867 50 0 IJAARN Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)s2)cc1 ZINC000033063917 556818784 /nfs/dbraw/zinc/81/87/84/556818784.db2.gz BJIPRSRIXKVMNF-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1C ZINC000033067872 556819997 /nfs/dbraw/zinc/81/99/97/556819997.db2.gz WLWSBSSENLXKCB-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000033068178 556820918 /nfs/dbraw/zinc/82/09/18/556820918.db2.gz JFINBKVSAFTHFK-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 ZINC000033068139 556820924 /nfs/dbraw/zinc/82/09/24/556820924.db2.gz AVRWDBDSWRZALZ-OAQYLSRUSA-N 0 0 427.504 4.714 50 0 IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1C1CCCCC1 ZINC000064661918 556825717 /nfs/dbraw/zinc/82/57/17/556825717.db2.gz VAOSULDFXSTTHC-XMMPIXPASA-N 0 0 439.556 4.706 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1CCc1cccs1 ZINC000064662007 556825990 /nfs/dbraw/zinc/82/59/90/556825990.db2.gz GFPVTCXPLWRSFY-XMMPIXPASA-N 0 0 449.601 4.538 50 0 IJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccccc4)cs3)c2C)cc1 ZINC000064790105 556826734 /nfs/dbraw/zinc/82/67/34/556826734.db2.gz VCRXCAYCIKGYLW-UHFFFAOYSA-N 0 0 430.533 4.996 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc43)nc2)cc2c1OCCCO2 ZINC000072403818 556828074 /nfs/dbraw/zinc/82/80/74/556828074.db2.gz KCUBLWYVQAHBNF-UHFFFAOYSA-N 0 0 431.448 4.777 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002543 556830933 /nfs/dbraw/zinc/83/09/33/556830933.db2.gz VCCUCSMORYVGAN-UHFFFAOYSA-N 0 0 436.559 4.800 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c(C)c1 ZINC000065003504 556831508 /nfs/dbraw/zinc/83/15/08/556831508.db2.gz RJOJCBLXSULNBB-FQEVSTJZSA-N 0 0 448.588 4.682 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000019639254 556836677 /nfs/dbraw/zinc/83/66/77/556836677.db2.gz KKLSNDFCDWPGBT-NSHDSACASA-N 0 0 443.832 4.522 50 0 IJAARN Cc1cc(Cl)ccc1OCc1ccc(C(=O)Nc2cnn(COCC(F)(F)F)c2)o1 ZINC000019639234 556836731 /nfs/dbraw/zinc/83/67/31/556836731.db2.gz VPPPUMILSZYUFS-UHFFFAOYSA-N 0 0 443.809 4.806 50 0 IJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccn(COc2ccc(Br)cc2)n1 ZINC000019640001 556836922 /nfs/dbraw/zinc/83/69/22/556836922.db2.gz AOCNMZFYKVTYDU-UHFFFAOYSA-N 0 0 444.373 4.628 50 0 IJAARN COc1ccc(CN(Cc2cc(=O)n3c(C)csc3n2)c2ccc(Cl)cc2)cc1 ZINC000033069001 556838936 /nfs/dbraw/zinc/83/89/36/556838936.db2.gz NTSDFRWMJDKNNT-UHFFFAOYSA-N 0 0 425.941 4.933 50 0 IJAARN CC[C@H](C)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000019644013 556839003 /nfs/dbraw/zinc/83/90/03/556839003.db2.gz FCIBMLMNAORQOE-KRWDZBQOSA-N 0 0 445.654 4.520 50 0 IJAARN CC(C)N(C(=O)CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1)C(C)C ZINC000008725897 556843486 /nfs/dbraw/zinc/84/34/86/556843486.db2.gz TUUZGBLMZFMTGY-SFHVURJKSA-N 0 0 447.624 4.691 50 0 IJAARN COc1cccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000068713025 556849193 /nfs/dbraw/zinc/84/91/93/556849193.db2.gz FKDCUFXTZBPYAU-RUZDIDTESA-N 0 0 435.907 4.664 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1 ZINC000033072519 556852294 /nfs/dbraw/zinc/85/22/94/556852294.db2.gz JAWWPRGZPZIBSQ-UHFFFAOYSA-N 0 0 442.519 4.618 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c(C)c1 ZINC000033073984 556853067 /nfs/dbraw/zinc/85/30/67/556853067.db2.gz KHTNOLDZAPUHHD-UHFFFAOYSA-N 0 0 446.526 4.945 50 0 IJAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000033085227 556855308 /nfs/dbraw/zinc/85/53/08/556855308.db2.gz DENNYCOQBHONDL-UHFFFAOYSA-N 0 0 434.540 4.707 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088590 556858027 /nfs/dbraw/zinc/85/80/27/556858027.db2.gz QIOMNTNSJJTRLT-UHFFFAOYSA-N 0 0 431.443 4.995 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)s1 ZINC000033113471 556860116 /nfs/dbraw/zinc/86/01/16/556860116.db2.gz VPRZCQNWOUBKIZ-CQSZACIVSA-N 0 0 441.944 4.855 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccc(F)cc4)C3)s2)cc1 ZINC000033113333 556860280 /nfs/dbraw/zinc/86/02/80/556860280.db2.gz NZHPAWYHEQNYLB-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN CCCNC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000033115204 556861812 /nfs/dbraw/zinc/86/18/12/556861812.db2.gz AZHQZCCBOJYEAO-UHFFFAOYSA-N 0 0 444.579 4.616 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033128126 556864990 /nfs/dbraw/zinc/86/49/90/556864990.db2.gz LPWZSMKVSOBXDZ-OAHLLOKOSA-N 0 0 443.956 4.631 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128217 556865216 /nfs/dbraw/zinc/86/52/16/556865216.db2.gz DMSCNYZEECYIGC-HNNXBMFYSA-N 0 0 443.956 4.631 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1 ZINC000033128261 556865263 /nfs/dbraw/zinc/86/52/63/556865263.db2.gz HEXYSVFJZIDKBX-AWEZNQCLSA-N 0 0 433.455 4.679 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1 ZINC000033128260 556865328 /nfs/dbraw/zinc/86/53/28/556865328.db2.gz HEXYSVFJZIDKBX-CQSZACIVSA-N 0 0 433.455 4.679 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3cc(C)c(C)cc3C)CC2)c1 ZINC000033126080 556866670 /nfs/dbraw/zinc/86/66/70/556866670.db2.gz NKFLYOGYAIPGRM-UHFFFAOYSA-N 0 0 443.613 4.533 50 0 IJAARN COc1cc(NC(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)cc(OC)c1OC ZINC000033129615 556868711 /nfs/dbraw/zinc/86/87/11/556868711.db2.gz DOLLLMBZBBWBFP-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN Cc1ccc(CNC(=O)c2nc3c(c(C)c(C)n3-c3ccccc3)c(N3CCCCC3)n2)o1 ZINC000033130679 556871144 /nfs/dbraw/zinc/87/11/44/556871144.db2.gz WNRGCCAYOKMFFL-UHFFFAOYSA-N 0 0 443.551 4.859 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720605 556876288 /nfs/dbraw/zinc/87/62/88/556876288.db2.gz YRDIOBNNYZHZDH-UHFFFAOYSA-N 0 0 435.365 4.997 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)cc1 ZINC000033168756 556880917 /nfs/dbraw/zinc/88/09/17/556880917.db2.gz PDAMYIUILYLZTN-OAQYLSRUSA-N 0 0 432.593 4.777 50 0 IJAARN Cc1cc2c(ccnc2N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)s1 ZINC000033171961 556882753 /nfs/dbraw/zinc/88/27/53/556882753.db2.gz RGRFSIRWDGERDQ-UHFFFAOYSA-N 0 0 448.636 4.787 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Cl)cc3)c2cc1OC ZINC000033172804 556883052 /nfs/dbraw/zinc/88/30/52/556883052.db2.gz CBXMGDLYKAQKMF-UHFFFAOYSA-N 0 0 428.901 4.513 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033173823 556883971 /nfs/dbraw/zinc/88/39/71/556883971.db2.gz BBRUCRMHDMYJAT-UHFFFAOYSA-N 0 0 427.473 4.607 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000033170606 556886193 /nfs/dbraw/zinc/88/61/93/556886193.db2.gz AFCLGYRQWFHTFB-RAXLEYEMSA-N 0 0 439.537 4.554 50 0 IJAARN O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000060522983 556886919 /nfs/dbraw/zinc/88/69/19/556886919.db2.gz DXXZLVMEBWUZIW-HXUWFJFHSA-N 0 0 437.421 4.725 50 0 IJAARN CCCCN1C(=O)c2c(-n3cccc3)c3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249542 556889483 /nfs/dbraw/zinc/88/94/83/556889483.db2.gz NZOMVSDVJDURJW-AREMUKBSSA-N 0 0 432.568 4.505 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1C ZINC000033258250 556895988 /nfs/dbraw/zinc/89/59/88/556895988.db2.gz HIVXUDZPSCVGRM-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1Cl ZINC000033258220 556896025 /nfs/dbraw/zinc/89/60/25/556896025.db2.gz YHYNMMXMNXCXGY-UHFFFAOYSA-N 0 0 437.931 4.930 50 0 IJAARN COc1ccc(CCN2C(=O)O[C@@](C)(CC(C)(C)c3ccccc3)[C@]2(C)O)cc1OC ZINC000004727311 556901562 /nfs/dbraw/zinc/90/15/62/556901562.db2.gz SVSSBZAQWDRMDK-DQEYMECFSA-N 0 0 427.541 4.534 50 0 IJAARN O=C(CSc1nc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019815322 556919549 /nfs/dbraw/zinc/91/95/49/556919549.db2.gz WTZLIHDYQHLHPF-UHFFFAOYSA-N 0 0 442.588 4.589 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccnc2)cc1 ZINC000019823586 556925237 /nfs/dbraw/zinc/92/52/37/556925237.db2.gz PLALHZXOVBYAFX-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019841114 556929826 /nfs/dbraw/zinc/92/98/26/556929826.db2.gz LIAZJPSLPOCFAV-UHFFFAOYSA-N 0 0 442.922 4.774 50 0 IJAARN O=C(NCCc1nc2cccnc2n1-c1ccccc1)Nc1ccccc1Br ZINC000033263753 556929884 /nfs/dbraw/zinc/92/98/84/556929884.db2.gz CGACHBPRDLMWMV-UHFFFAOYSA-N 0 0 436.313 4.547 50 0 IJAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)C[C@@H](C)O1 ZINC000019881232 556937047 /nfs/dbraw/zinc/93/70/47/556937047.db2.gz FMODCWMNFKOSDH-IAGOWNOFSA-N 0 0 439.556 4.735 50 0 IJAARN Cc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000019898582 556941120 /nfs/dbraw/zinc/94/11/20/556941120.db2.gz VMCOJCBQQNQBHD-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN COc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000019939648 556953242 /nfs/dbraw/zinc/95/32/42/556953242.db2.gz HBJWCMJQUJZMMA-UHFFFAOYSA-N 0 0 449.601 4.736 50 0 IJAARN CCCCN(C)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020029476 556968395 /nfs/dbraw/zinc/96/83/95/556968395.db2.gz YDKQUGXRRPKTKG-UHFFFAOYSA-N 0 0 425.602 4.927 50 0 IJAARN O=C(NCc1ccccc1Cl)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266497 556976873 /nfs/dbraw/zinc/97/68/73/556976873.db2.gz NRLNDVMSZMJRLE-UHFFFAOYSA-N 0 0 445.954 4.583 50 0 IJAARN COc1cc([C@@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc(OC)c1OC ZINC000020101638 556980415 /nfs/dbraw/zinc/98/04/15/556980415.db2.gz LPKVVFTVCWOXPE-INIZCTEOSA-N 0 0 433.508 4.776 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(Cc1cn3ccccc3n1)C(=O)c1ccccc1S2 ZINC000033267381 556981893 /nfs/dbraw/zinc/98/18/93/556981893.db2.gz XMTZFZNYYDDOHB-UHFFFAOYSA-N 0 0 429.501 4.823 50 0 IJAARN COCCCn1c(=O)c2c(nc1SCc1ccc(F)cc1)c(-c1ccccc1)cn2C ZINC000033267943 556982329 /nfs/dbraw/zinc/98/23/29/556982329.db2.gz LEKKGXIKNWQOCA-UHFFFAOYSA-N 0 0 437.540 4.870 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267868 556982385 /nfs/dbraw/zinc/98/23/85/556982385.db2.gz BBFCGKPQVKCFJC-JOCHJYFZSA-N 0 0 442.519 4.704 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c(OC)c1OC ZINC000097105011 556987666 /nfs/dbraw/zinc/98/76/66/556987666.db2.gz KLVLUTXHXAFYRO-HNNXBMFYSA-N 0 0 428.535 4.827 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1)C1=CCCCC1 ZINC000023055099 556988978 /nfs/dbraw/zinc/98/89/78/556988978.db2.gz YMBGEFVULGAJCT-UHFFFAOYSA-N 0 0 449.580 4.736 50 0 IJAARN CCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000097111952 556990290 /nfs/dbraw/zinc/99/02/90/556990290.db2.gz DMJPQJGRGLCARH-AWEZNQCLSA-N 0 0 428.334 4.625 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000023075085 556995589 /nfs/dbraw/zinc/99/55/89/556995589.db2.gz YGIROIWCTVBGIK-UHFFFAOYSA-N 0 0 431.448 4.968 50 0 IJAARN O=C(Nc1ccccc1Br)NC1(c2nc(-c3cccnc3)no2)CCCCC1 ZINC000077197467 556996750 /nfs/dbraw/zinc/99/67/50/556996750.db2.gz KBQVBUJTHYEUPI-UHFFFAOYSA-N 0 0 442.317 4.875 50 0 IJAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1)N1CCCCC1 ZINC000020193758 556996829 /nfs/dbraw/zinc/99/68/29/556996829.db2.gz NDHVJUXZTRQBEY-UHFFFAOYSA-N 0 0 432.549 4.844 50 0 IJAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccccc4OC)oc3C)n2)cc1 ZINC000023126200 557007860 /nfs/dbraw/zinc/00/78/60/557007860.db2.gz RRGSVNZFGWDAKS-UHFFFAOYSA-N 0 0 435.505 4.710 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)c1 ZINC000020355988 557010304 /nfs/dbraw/zinc/01/03/04/557010304.db2.gz OQLKKCQTPNUZHC-QFBILLFUSA-N 0 0 449.580 4.718 50 0 IJAARN S=C(Nc1ccc2c(c1)OCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020364093 557011918 /nfs/dbraw/zinc/01/19/18/557011918.db2.gz PTTQEIBWXIVEJU-UHFFFAOYSA-N 0 0 431.561 4.519 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000045971241 557013962 /nfs/dbraw/zinc/01/39/62/557013962.db2.gz NFVZWZVBRFOATP-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN CCc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1 ZINC000045994492 557014797 /nfs/dbraw/zinc/01/47/97/557014797.db2.gz IQVXLLHJYJTWRU-UHFFFAOYSA-N 0 0 425.488 4.537 50 0 IJAARN Cc1cc2nc(COc3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)ccc3C)cc(=O)n2o1 ZINC000045995793 557015460 /nfs/dbraw/zinc/01/54/60/557015460.db2.gz XPJMPDRTVPWQOU-UHFFFAOYSA-N 0 0 447.535 4.638 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N2CCc4ccccc42)cc3C)cc1 ZINC000045990746 557016414 /nfs/dbraw/zinc/01/64/14/557016414.db2.gz YDNHSYVNZCXXDU-UHFFFAOYSA-N 0 0 426.520 4.568 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)NCCc3ccccc3)cc(C)c12 ZINC000045990549 557016434 /nfs/dbraw/zinc/01/64/34/557016434.db2.gz HKSHJIKKBHOVAV-UHFFFAOYSA-N 0 0 448.954 4.737 50 0 IJAARN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000046017602 557020802 /nfs/dbraw/zinc/02/08/02/557020802.db2.gz HPKOWYYHVSRULE-UHFFFAOYSA-N 0 0 441.372 4.516 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000010733094 557022094 /nfs/dbraw/zinc/02/20/94/557022094.db2.gz CSSUXIGJDRCMGC-UHFFFAOYSA-N 0 0 430.382 4.855 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010756018 557024642 /nfs/dbraw/zinc/02/46/42/557024642.db2.gz CBHMJYOVDQYDAX-KRWDZBQOSA-N 0 0 442.562 4.580 50 0 IJAARN CCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032506 557025078 /nfs/dbraw/zinc/02/50/78/557025078.db2.gz KEWVELWFYLYAAZ-UHFFFAOYSA-N 0 0 448.592 4.705 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000046043809 557025090 /nfs/dbraw/zinc/02/50/90/557025090.db2.gz VHOGHRFFTFCYBI-AWEZNQCLSA-N 0 0 440.849 4.858 50 0 IJAARN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032504 557025099 /nfs/dbraw/zinc/02/50/99/557025099.db2.gz UJWVMGKJVJNUSM-UHFFFAOYSA-N 0 0 448.592 4.876 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(NCCc3ccccc3)s2)c1 ZINC000010773151 557025717 /nfs/dbraw/zinc/02/57/17/557025717.db2.gz RCYAUWDUHDNKOG-HNNXBMFYSA-N 0 0 426.567 4.515 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(NCCc3ccccc3)s2)c1 ZINC000010773159 557025756 /nfs/dbraw/zinc/02/57/56/557025756.db2.gz RCYAUWDUHDNKOG-OAHLLOKOSA-N 0 0 426.567 4.515 50 0 IJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000046045604 557025757 /nfs/dbraw/zinc/02/57/57/557025757.db2.gz OQEKEQKTBNZUQJ-QGZVFWFLSA-N 0 0 429.358 4.865 50 0 IJAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000046045601 557025810 /nfs/dbraw/zinc/02/58/10/557025810.db2.gz OQEKEQKTBNZUQJ-KRWDZBQOSA-N 0 0 429.358 4.865 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000046053595 557026643 /nfs/dbraw/zinc/02/66/43/557026643.db2.gz JOQCFPQYORZXPL-KRWDZBQOSA-N 0 0 441.959 4.603 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000010786014 557026841 /nfs/dbraw/zinc/02/68/41/557026841.db2.gz ZEAZWDFYYHSYML-UHFFFAOYSA-N 0 0 445.972 4.516 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000046046778 557027732 /nfs/dbraw/zinc/02/77/32/557027732.db2.gz IOCZKESZRPIJTA-UHFFFAOYSA-N 0 0 439.441 4.860 50 0 IJAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn12 ZINC000046056278 557028447 /nfs/dbraw/zinc/02/84/47/557028447.db2.gz SXHPSAGASJMNNT-UHFFFAOYSA-N 0 0 425.517 4.758 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000046057583 557029130 /nfs/dbraw/zinc/02/91/30/557029130.db2.gz BLBKMMMNIVRZHI-GOSISDBHSA-N 0 0 438.325 4.814 50 0 IJAARN CCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000046059037 557029868 /nfs/dbraw/zinc/02/98/68/557029868.db2.gz ZNRHTQZPBCFOAQ-UHFFFAOYSA-N 0 0 430.595 4.811 50 0 IJAARN COc1ccc(NC2(c3nnnn3-c3cccc(C(F)(F)F)c3)CCCC2)cc1OC ZINC000046078271 557033564 /nfs/dbraw/zinc/03/35/64/557033564.db2.gz WPJUMUKVBNSBCW-UHFFFAOYSA-N 0 0 433.434 4.580 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000046079792 557035079 /nfs/dbraw/zinc/03/50/79/557035079.db2.gz RJBHJCTWFQWFPL-IBGZPJMESA-N 0 0 429.520 4.825 50 0 IJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000023175925 557037216 /nfs/dbraw/zinc/03/72/16/557037216.db2.gz AMWIHKFHXYIDLC-DEOSSOPVSA-N 0 0 446.507 4.617 50 0 IJAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000017178279 557037850 /nfs/dbraw/zinc/03/78/50/557037850.db2.gz NVQSODQYVISYSB-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN COc1ccc(OC)c(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)c1 ZINC000017245733 557044316 /nfs/dbraw/zinc/04/43/16/557044316.db2.gz ZCPUKTTXOZKRMO-KRWDZBQOSA-N 0 0 444.539 4.813 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181243 557045407 /nfs/dbraw/zinc/04/54/07/557045407.db2.gz LBBOTFUYMWJUOG-NTKDMRAZSA-N 0 0 437.584 4.565 50 0 IJAARN C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181459 557045415 /nfs/dbraw/zinc/04/54/15/557045415.db2.gz KTDAXBSSWSYASF-FDDCHVKYSA-N 0 0 429.605 4.836 50 0 IJAARN O=S(=O)(CCNc1cccc2ccccc21)c1c(F)c(F)nc(N2CCCCC2)c1F ZINC000024617043 557045681 /nfs/dbraw/zinc/04/56/81/557045681.db2.gz ZGHHSNDDIVZVAA-UHFFFAOYSA-N 0 0 449.498 4.528 50 0 IJAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc(F)c(Cl)c4)n3)nc2c1 ZINC000033270728 557047249 /nfs/dbraw/zinc/04/72/49/557047249.db2.gz IKWRAZVGZOVYAI-UHFFFAOYSA-N 0 0 445.907 4.910 50 0 IJAARN CCOc1cc(/C=C/C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)ccc1OC(F)F ZINC000048236449 557047264 /nfs/dbraw/zinc/04/72/64/557047264.db2.gz AXAGNAISTOHSFI-WEVVVXLNSA-N 0 0 431.414 4.972 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000017269446 557048182 /nfs/dbraw/zinc/04/81/82/557048182.db2.gz PPCSPYRKGWSCHR-OAHLLOKOSA-N 0 0 447.557 4.641 50 0 IJAARN CCCCCN(C(=O)NC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000017269951 557048600 /nfs/dbraw/zinc/04/86/00/557048600.db2.gz IYLZJDSCZSTABQ-UHFFFAOYSA-N 0 0 437.949 4.771 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4n3)ccc2Cl)C1 ZINC000048231146 557048883 /nfs/dbraw/zinc/04/88/83/557048883.db2.gz QWTQTLWUAZGOEJ-HNNXBMFYSA-N 0 0 443.956 4.561 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1 ZINC000033272226 557050711 /nfs/dbraw/zinc/05/07/11/557050711.db2.gz YXBXVDMMFWNFLQ-UHFFFAOYSA-N 0 0 438.487 4.779 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCc1ccc(F)cc1 ZINC000033273866 557053147 /nfs/dbraw/zinc/05/31/47/557053147.db2.gz DAZYAAMYWPSMBY-UHFFFAOYSA-N 0 0 441.919 4.730 50 0 IJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(OC)cc2OC)c1N ZINC000017316091 557056895 /nfs/dbraw/zinc/05/68/95/557056895.db2.gz APSJXNLHZSABRU-UHFFFAOYSA-N 0 0 431.539 4.519 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]2CCc3ccccc32)cc1 ZINC000048299565 557061728 /nfs/dbraw/zinc/06/17/28/557061728.db2.gz XIKJKXSWRLGDSI-AREMUKBSSA-N 0 0 441.575 4.825 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4c(C)cccc4C)n3c2)c1 ZINC000033284335 557063533 /nfs/dbraw/zinc/06/35/33/557063533.db2.gz IXZTUFSCROSDCV-UHFFFAOYSA-N 0 0 445.548 4.638 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)c(OC)c1 ZINC000033287839 557065188 /nfs/dbraw/zinc/06/51/88/557065188.db2.gz VUVYUBWBMAUVAB-UHFFFAOYSA-N 0 0 443.503 4.676 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)no2)cc1 ZINC000033281819 557067443 /nfs/dbraw/zinc/06/74/43/557067443.db2.gz AGGPNLIQGPUCLI-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccc(C)cc5)no4)c3C)c(C)o2)cc1 ZINC000033296924 557072834 /nfs/dbraw/zinc/07/28/34/557072834.db2.gz YNYOJMDYENSKIT-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000033297956 557073803 /nfs/dbraw/zinc/07/38/03/557073803.db2.gz UERRFLILVILEDK-GDNBJRDFSA-N 0 0 439.537 4.635 50 0 IJAARN O=C(CCC(=O)c1ccc(Br)cc1)NCc1csc(-c2ccccc2)n1 ZINC000010893727 557073998 /nfs/dbraw/zinc/07/39/98/557073998.db2.gz BVWRGGMMVGZFGZ-UHFFFAOYSA-N 0 0 429.339 4.852 50 0 IJAARN COc1ccccc1-c1noc(CSc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)n1 ZINC000023222782 557074180 /nfs/dbraw/zinc/07/41/80/557074180.db2.gz VPIKMRIOOVBUDF-LLVKDONJSA-N 0 0 439.566 4.749 50 0 IJAARN O=C(CSc1ncnc2c3cc(Br)ccc3[nH]c21)Nc1ccc(F)cc1F ZINC000033298710 557074504 /nfs/dbraw/zinc/07/45/04/557074504.db2.gz XGOVMXBFSLOTJQ-UHFFFAOYSA-N 0 0 449.280 4.883 50 0 IJAARN Cn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000048366703 557075360 /nfs/dbraw/zinc/07/53/60/557075360.db2.gz RBFMEOCIXUSTHW-QFIPXVFZSA-N 0 0 446.532 4.594 50 0 IJAARN CC(C)[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287615 557076931 /nfs/dbraw/zinc/07/69/31/557076931.db2.gz DRCBEVFFLLBCGW-BWKNWUBXSA-N 0 0 426.532 4.637 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C)c2)cc1 ZINC000048990983 557080477 /nfs/dbraw/zinc/08/04/77/557080477.db2.gz DJSBRVQWTXINTE-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@H](c4ccccc4)C(C)C)c(=O)c3s2)cc1 ZINC000011294747 557080942 /nfs/dbraw/zinc/08/09/42/557080942.db2.gz HAAGBCPMSUMHAU-QHCPKHFHSA-N 0 0 447.560 4.647 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1-c1ccccc1C ZINC000011299800 557081265 /nfs/dbraw/zinc/08/12/65/557081265.db2.gz JQRXILMLALQNDO-UHFFFAOYSA-N 0 0 446.960 4.675 50 0 IJAARN Cc1ccccc1-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)n1 ZINC000011309587 557082405 /nfs/dbraw/zinc/08/24/05/557082405.db2.gz BCAGAXONCZMVLU-UHFFFAOYSA-N 0 0 426.505 4.980 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)c(Br)c1 ZINC000033301286 557082982 /nfs/dbraw/zinc/08/29/82/557082982.db2.gz WMZSICCOKFXVHT-UHFFFAOYSA-N 0 0 435.391 4.515 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCCO2 ZINC000049005103 557084201 /nfs/dbraw/zinc/08/42/01/557084201.db2.gz LLDYSNOHTOZKDW-SFHVURJKSA-N 0 0 432.524 4.858 50 0 IJAARN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)n3c4ccccc4nc32)cc1 ZINC000023382093 557089215 /nfs/dbraw/zinc/08/92/15/557089215.db2.gz LXFVQOVXZXOIND-QFIPXVFZSA-N 0 0 428.467 4.601 50 0 IJAARN O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000023382357 557089567 /nfs/dbraw/zinc/08/95/67/557089567.db2.gz FZIQIUDFNKGGRM-LJQANCHMSA-N 0 0 442.441 4.914 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000011328521 557091380 /nfs/dbraw/zinc/09/13/80/557091380.db2.gz WUYBSQILAFZUSB-SFHVURJKSA-N 0 0 433.892 4.553 50 0 IJAARN Cc1cc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2-c2cccnc2)ccc1F ZINC000049003687 557091703 /nfs/dbraw/zinc/09/17/03/557091703.db2.gz PTVZNUKOQSIWNX-UHFFFAOYSA-N 0 0 429.499 4.830 50 0 IJAARN CCN(c1ccsc1C(=O)NCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000049004231 557092589 /nfs/dbraw/zinc/09/25/89/557092589.db2.gz RGOBIOXLQWWGSZ-UHFFFAOYSA-N 0 0 434.970 4.547 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1)N1CCCC1 ZINC000033311599 557095533 /nfs/dbraw/zinc/09/55/33/557095533.db2.gz MXUJLSKBJBWJQJ-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312980 557097895 /nfs/dbraw/zinc/09/78/95/557097895.db2.gz CBNNUAKPGNHERO-UHFFFAOYSA-N 0 0 426.442 4.693 50 0 IJAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc(C)cc4Cl)CC3)n2)cc1 ZINC000049403494 557099241 /nfs/dbraw/zinc/09/92/41/557099241.db2.gz NHYIEVSWISUMBC-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3ccc(C(C)C)cc3)cccn12 ZINC000049405171 557100387 /nfs/dbraw/zinc/10/03/87/557100387.db2.gz ZWAFLWYTKXIWTI-UHFFFAOYSA-N 0 0 438.528 4.696 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3nccn3Cc3ccccc3)n2)cc1 ZINC000023642549 557102568 /nfs/dbraw/zinc/10/25/68/557102568.db2.gz UUANGGWWTUWMJN-UHFFFAOYSA-N 0 0 436.562 4.794 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320727 557104574 /nfs/dbraw/zinc/10/45/74/557104574.db2.gz WQJMYJDSRKPZOZ-UHFFFAOYSA-N 0 0 438.503 4.996 50 0 IJAARN COc1cccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)c1 ZINC000033322297 557105487 /nfs/dbraw/zinc/10/54/87/557105487.db2.gz UKNOOQNCDAAQHD-YVLHZVERSA-N 0 0 433.327 4.872 50 0 IJAARN Cc1cccc(OCc2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)c1 ZINC000033325024 557106955 /nfs/dbraw/zinc/10/69/55/557106955.db2.gz QZSZAFDZRLHFDD-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccc(C(F)(F)F)c1 ZINC000585147936 557108367 /nfs/dbraw/zinc/10/83/67/557108367.db2.gz IWPUGMFSLUQGDA-CYBMUJFWSA-N 0 0 433.498 4.507 50 0 IJAARN O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccc(C(F)(F)F)c1 ZINC000585147937 557108410 /nfs/dbraw/zinc/10/84/10/557108410.db2.gz IWPUGMFSLUQGDA-ZDUSSCGKSA-N 0 0 433.498 4.507 50 0 IJAARN O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(OC(F)(F)F)cc1 ZINC000585150596 557110589 /nfs/dbraw/zinc/11/05/89/557110589.db2.gz WFDOMBCIOSUUFI-UHFFFAOYSA-N 0 0 437.443 4.586 50 0 IJAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000049546408 557111760 /nfs/dbraw/zinc/11/17/60/557111760.db2.gz PYIZVCNWBVFDNY-XMMPIXPASA-N 0 0 432.564 4.806 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1C ZINC000033328836 557112329 /nfs/dbraw/zinc/11/23/29/557112329.db2.gz XDFPNODZTPDERI-UHFFFAOYSA-N 0 0 429.505 4.885 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)Nc1ccc(F)cc1F ZINC000033328818 557112437 /nfs/dbraw/zinc/11/24/37/557112437.db2.gz VRHDIMYMQQCUGX-UHFFFAOYSA-N 0 0 437.431 4.547 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc4ccc(F)cc4nc3C)c2)cs1 ZINC000010924447 557113173 /nfs/dbraw/zinc/11/31/73/557113173.db2.gz KQRIXUJHRDOZEG-UHFFFAOYSA-N 0 0 435.480 4.910 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cc2Cl)C12CCCC2 ZINC000049551058 557113491 /nfs/dbraw/zinc/11/34/91/557113491.db2.gz CZXXWYKOOVUADL-NRFANRHFSA-N 0 0 426.944 4.786 50 0 IJAARN CCN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)N(C)C1=S ZINC000033333280 557118230 /nfs/dbraw/zinc/11/82/30/557118230.db2.gz IWWVLTJILCLVQY-RGVLZGJSSA-N 0 0 427.932 4.902 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000113627576 557118347 /nfs/dbraw/zinc/11/83/47/557118347.db2.gz ZHDUHVZCJGBPEI-OALUTQOASA-N 0 0 426.925 4.526 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccs1 ZINC000001065347 557118446 /nfs/dbraw/zinc/11/84/46/557118446.db2.gz DKRMEQRIPRFJCT-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN CCCCc1nnc(NC(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)s1 ZINC000115075528 557119728 /nfs/dbraw/zinc/11/97/28/557119728.db2.gz FYCZJAVAOSFPCL-QXMHVHEDSA-N 0 0 427.555 4.674 50 0 IJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 ZINC000004786915 557119715 /nfs/dbraw/zinc/11/97/15/557119715.db2.gz CBXDYSKHIAMELZ-HXUWFJFHSA-N 0 0 439.357 4.956 50 0 IJAARN O=C(CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000000628523 557121914 /nfs/dbraw/zinc/12/19/14/557121914.db2.gz OBHCHFYAOCGIGL-UHFFFAOYSA-N 0 0 434.561 4.561 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)ccc21 ZINC000023884229 557123826 /nfs/dbraw/zinc/12/38/26/557123826.db2.gz XJGGOMYZQSZQPQ-UHFFFAOYSA-N 0 0 442.544 4.788 50 0 IJAARN Cc1nc2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc2n1-c1ccccc1 ZINC000017822504 557124399 /nfs/dbraw/zinc/12/43/99/557124399.db2.gz XLNQDWJBUQNCSL-NRFANRHFSA-N 0 0 438.531 4.825 50 0 IJAARN C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000017840782 557125076 /nfs/dbraw/zinc/12/50/76/557125076.db2.gz YGGPDXCDAAQVOA-HNNXBMFYSA-N 0 0 425.326 4.600 50 0 IJAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CN3CCC[C@@H]3c3nc4ccccc4s3)C2=O)cc1 ZINC000023955597 557127379 /nfs/dbraw/zinc/12/73/79/557127379.db2.gz MFIAJOLUGWMDTA-NLFFAJNJSA-N 0 0 448.592 4.981 50 0 IJAARN COc1ccc(N2C(=O)C[C@H](C(=O)NCCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004800211 557127420 /nfs/dbraw/zinc/12/74/20/557127420.db2.gz GZNMLKKBCBFIST-UKILVPOCSA-N 0 0 436.527 4.935 50 0 IJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000017887657 557127563 /nfs/dbraw/zinc/12/75/63/557127563.db2.gz MXDJBYWEIIEIQR-DNVJHFABSA-N 0 0 448.906 4.708 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000000652237 557129388 /nfs/dbraw/zinc/12/93/88/557129388.db2.gz JERQRFIZAQEAQL-UHFFFAOYSA-N 0 0 431.945 4.919 50 0 IJAARN CCc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)cs1 ZINC000024007927 557131555 /nfs/dbraw/zinc/13/15/55/557131555.db2.gz USLUHTZHOXXDHW-AWEZNQCLSA-N 0 0 447.651 4.827 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(Cl)c(O)c(OC)c2)c(OC)c1 ZINC000024034238 557132629 /nfs/dbraw/zinc/13/26/29/557132629.db2.gz LEDSENQGCIHDFZ-QFIPXVFZSA-N 0 0 440.883 4.843 50 0 IJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 ZINC000002856902 557133459 /nfs/dbraw/zinc/13/34/59/557133459.db2.gz BXZNYLSMZUGERF-GFCCVEGCSA-N 0 0 427.257 4.961 50 0 IJAARN CCc1cc2c(ncnc2Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)s1 ZINC000024060635 557134397 /nfs/dbraw/zinc/13/43/97/557134397.db2.gz BLSCGGLSYKVSBL-LBPRGKRZSA-N 0 0 428.562 4.747 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000709237 557140660 /nfs/dbraw/zinc/14/06/60/557140660.db2.gz OAVMWJUDOSWMOO-QHCPKHFHSA-N 0 0 425.575 4.773 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000011405958 557142294 /nfs/dbraw/zinc/14/22/94/557142294.db2.gz QCMBKVGVPDMBAO-FQEVSTJZSA-N 0 0 448.526 4.671 50 0 IJAARN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1cccs1)Cc1cccs1)C2=O ZINC000024468703 557147756 /nfs/dbraw/zinc/14/77/56/557147756.db2.gz PJNXCMCTLXPTMV-UHFFFAOYSA-N 0 0 438.574 4.723 50 0 IJAARN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 ZINC000000719077 557149170 /nfs/dbraw/zinc/14/91/70/557149170.db2.gz MLVDVYIKIPKMIS-SECBINFHSA-N 0 0 441.788 4.935 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000000719270 557149208 /nfs/dbraw/zinc/14/92/08/557149208.db2.gz QZNSOPRNUCRXRZ-UHFFFAOYSA-N 0 0 439.533 4.918 50 0 IJAARN CC(=O)N(c1nc(COC(=O)c2cc(=O)[nH]c3ccccc32)cs1)c1ccccc1F ZINC000011458099 557150858 /nfs/dbraw/zinc/15/08/58/557150858.db2.gz IMUUBSYQAGYNDC-UHFFFAOYSA-N 0 0 437.452 4.578 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCOCC1 ZINC000016426107 557151529 /nfs/dbraw/zinc/15/15/29/557151529.db2.gz PLOAKSDDPUAVDE-UHFFFAOYSA-N 0 0 449.938 4.990 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606490 557153092 /nfs/dbraw/zinc/15/30/92/557153092.db2.gz RNAGDSDDRKOBKG-KRWDZBQOSA-N 0 0 442.562 4.580 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607096 557153381 /nfs/dbraw/zinc/15/33/81/557153381.db2.gz DDQOKPQIVUTANY-UHFFFAOYSA-N 0 0 442.968 4.674 50 0 IJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000024607123 557153410 /nfs/dbraw/zinc/15/34/10/557153410.db2.gz IBPGBRVYCSGPDJ-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000024752407 557162591 /nfs/dbraw/zinc/16/25/91/557162591.db2.gz HNOZCYIWFGZTKK-UHFFFAOYSA-N 0 0 429.881 4.527 50 0 IJAARN O=C(NCCc1nnc2ccccn21)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000011546339 557163044 /nfs/dbraw/zinc/16/30/44/557163044.db2.gz XHAMOBYYICJELP-UHFFFAOYSA-N 0 0 427.895 4.570 50 0 IJAARN COc1cc(COC(=O)CSc2ccc(NC(C)=O)cc2)cc(Cl)c1OC(F)F ZINC000024759229 557163879 /nfs/dbraw/zinc/16/38/79/557163879.db2.gz OZFQLEGHQGHGDE-UHFFFAOYSA-N 0 0 445.871 4.744 50 0 IJAARN Cn1c(CSc2nc3ccccc3s2)nn(CN2CCCc3ncccc32)c1=S ZINC000024760743 557164342 /nfs/dbraw/zinc/16/43/42/557164342.db2.gz KYZAMGSCFSHJAZ-UHFFFAOYSA-N 0 0 440.623 4.658 50 0 IJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 ZINC000024777091 557167097 /nfs/dbraw/zinc/16/70/97/557167097.db2.gz CEQPLZKMHDZRGI-LJQANCHMSA-N 0 0 448.466 4.776 50 0 IJAARN CCCCn1c(=O)[nH]nc1S[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000024793951 557168026 /nfs/dbraw/zinc/16/80/26/557168026.db2.gz QHRISNDJTQJVFH-SFHVURJKSA-N 0 0 446.960 4.506 50 0 IJAARN C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000024819989 557168786 /nfs/dbraw/zinc/16/87/86/557168786.db2.gz FZRJXSGHAALYBU-AWEZNQCLSA-N 0 0 431.323 4.562 50 0 IJAARN O=C(COc1ccc(F)c(Cl)c1)Nc1ccnn1Cc1ccccc1Br ZINC000024835543 557171948 /nfs/dbraw/zinc/17/19/48/557171948.db2.gz SGDCGIRUMYKANV-UHFFFAOYSA-N 0 0 438.684 4.504 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000024864392 557172124 /nfs/dbraw/zinc/17/21/24/557172124.db2.gz NIAUKWHDPUHPJG-UHFFFAOYSA-N 0 0 430.961 4.743 50 0 IJAARN CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 ZINC000008784727 557173810 /nfs/dbraw/zinc/17/38/10/557173810.db2.gz OWKUPKVWPGDGIN-CYBMUJFWSA-N 0 0 427.555 4.904 50 0 IJAARN CCc1nc(SC[C@H](O)COc2ccccc2F)nc(N)c1-c1ccc(Cl)cc1 ZINC000024843838 557173924 /nfs/dbraw/zinc/17/39/24/557173924.db2.gz WDQKLJCWAMCIHC-OAHLLOKOSA-N 0 0 433.936 4.613 50 0 IJAARN COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000024886236 557176936 /nfs/dbraw/zinc/17/69/36/557176936.db2.gz FOQYUWMLQSDNGP-UHFFFAOYSA-N 0 0 426.881 4.711 50 0 IJAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000024929083 557180776 /nfs/dbraw/zinc/18/07/76/557180776.db2.gz PNQPDJPTMSHANG-LBPRGKRZSA-N 0 0 425.838 4.925 50 0 IJAARN Cc1cc(-c2cc(C(=O)Nc3ccccc3C(=O)NC3CC3)c3c(C)noc3n2)c(C)o1 ZINC000011556369 557183952 /nfs/dbraw/zinc/18/39/52/557183952.db2.gz NQFUXNATUQCRHI-UHFFFAOYSA-N 0 0 430.464 4.553 50 0 IJAARN CN(C(=O)CSc1ncnc2sccc21)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000024971735 557183979 /nfs/dbraw/zinc/18/39/79/557183979.db2.gz BZDZYJQPLIPXLC-NRFANRHFSA-N 0 0 445.997 4.934 50 0 IJAARN O=C(CSc1nnc2n1CCCCC2)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000024977839 557184920 /nfs/dbraw/zinc/18/49/20/557184920.db2.gz ZNTDWQFPALHDCM-LJQANCHMSA-N 0 0 436.606 4.977 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1nnc2n1CCC2 ZINC000024982119 557185514 /nfs/dbraw/zinc/18/55/14/557185514.db2.gz SEBZHOHMQOPZNW-CYBMUJFWSA-N 0 0 429.496 4.774 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(OC)c(OC)c1 ZINC000009303066 557185812 /nfs/dbraw/zinc/18/58/12/557185812.db2.gz NHQXHZSWPGYYAH-UHFFFAOYSA-N 0 0 447.944 4.523 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC1 ZINC000025047910 557190579 /nfs/dbraw/zinc/19/05/79/557190579.db2.gz PSBKPXJMIXUADH-UHFFFAOYSA-N 0 0 428.863 4.982 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000009698902 557191437 /nfs/dbraw/zinc/19/14/37/557191437.db2.gz UMBHYKSFEGRWFT-LAUBAEHRSA-N 0 0 442.629 4.543 50 0 IJAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN(c4cccc(C)c4)CC3)c12 ZINC000025050146 557191435 /nfs/dbraw/zinc/19/14/35/557191435.db2.gz CSKHJNPBOWNZFP-UHFFFAOYSA-N 0 0 426.520 4.777 50 0 IJAARN Cc1cccc(-c2nc(SCC(=O)Nc3cc(C)c(C)cc3Br)n[nH]2)c1 ZINC000009614911 557191766 /nfs/dbraw/zinc/19/17/66/557191766.db2.gz YCRSCDWPSHGCCH-UHFFFAOYSA-N 0 0 431.359 4.890 50 0 IJAARN OCCCc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000100869009 557193433 /nfs/dbraw/zinc/19/34/33/557193433.db2.gz CRZBERNAWPNGAN-GOSISDBHSA-N 0 0 445.748 4.675 50 0 IJAARN CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2c(COC(C)=O)c1OC(C)=O ZINC000072238416 557203431 /nfs/dbraw/zinc/20/34/31/557203431.db2.gz HJIGOZOYDMUHEG-UHFFFAOYSA-N 0 0 428.868 4.973 50 0 IJAARN COc1cc2nc(SC[C@@H]3CCCO3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000011597376 557206863 /nfs/dbraw/zinc/20/68/63/557206863.db2.gz RREJPLCGODOTJW-KRWDZBQOSA-N 0 0 430.570 4.575 50 0 IJAARN COc1ccccc1CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1cccs1 ZINC000025393523 557207678 /nfs/dbraw/zinc/20/76/78/557207678.db2.gz HFHIMEDBDMZWHL-UHFFFAOYSA-N 0 0 449.576 4.523 50 0 IJAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000025458359 557211100 /nfs/dbraw/zinc/21/11/00/557211100.db2.gz REPBKLUUAVXFMY-XMMPIXPASA-N 0 0 445.588 4.554 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)C=Cc4ccccc4)nn32)cc1 ZINC000101000020 557212206 /nfs/dbraw/zinc/21/22/06/557212206.db2.gz MLRJEYFTMJFIKD-SKELBMGJSA-N 0 0 449.514 4.995 50 0 biogenic IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1)[C@@H]1CCCO1 ZINC000025509229 557212362 /nfs/dbraw/zinc/21/23/62/557212362.db2.gz JIDQZFKZVVUPQR-RXVVDRJESA-N 0 0 438.574 4.715 50 0 IJAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc2c(c1)NC(=O)CS2 ZINC000072245367 557213415 /nfs/dbraw/zinc/21/34/15/557213415.db2.gz PIKZERDCSPBTAY-UHFFFAOYSA-N 0 0 446.351 4.869 50 0 IJAARN COc1ccc(C2=NN3COc4c(Br)cc(Br)cc4[C@H]3C2)cc1 ZINC000025586531 557217693 /nfs/dbraw/zinc/21/76/93/557217693.db2.gz VJDYAUDZDBURPT-MRXNPFEDSA-N 0 0 438.119 4.721 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1OC ZINC000024912760 557217714 /nfs/dbraw/zinc/21/77/14/557217714.db2.gz IETXLSCSGHKWCF-UHFFFAOYSA-N 0 0 425.510 4.835 50 0 IJAARN O=c1nc(CSc2nnc(-c3ccco3)n2-c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000025777568 557225386 /nfs/dbraw/zinc/22/53/86/557225386.db2.gz IHBJOAYDTPZPGN-UHFFFAOYSA-N 0 0 447.545 4.606 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011612765 557230359 /nfs/dbraw/zinc/23/03/59/557230359.db2.gz AAXQSYASRVJFIV-SFHVURJKSA-N 0 0 440.487 4.586 50 0 IJAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 ZINC000011693537 557232451 /nfs/dbraw/zinc/23/24/51/557232451.db2.gz QTFQFGKMBHPNHQ-UHFFFAOYSA-N 0 0 430.361 4.815 50 0 IJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018114605 557237519 /nfs/dbraw/zinc/23/75/19/557237519.db2.gz WBODRYFUBAAFHS-UHFFFAOYSA-N 0 0 432.929 4.822 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000018119221 557238275 /nfs/dbraw/zinc/23/82/75/557238275.db2.gz QJAIQSRXULGGAZ-XPWALMASSA-N 0 0 426.497 4.952 50 0 IJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c(OC)c1 ZINC000032950748 557238657 /nfs/dbraw/zinc/23/86/57/557238657.db2.gz CABXKSQKFIMYKA-UHFFFAOYSA-N 0 0 434.471 4.681 50 0 IJAARN O=C(CCN1c2ccccc2Sc2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000026526998 557243155 /nfs/dbraw/zinc/24/31/55/557243155.db2.gz BFZTXCLTURQJGJ-UHFFFAOYSA-N 0 0 431.561 4.734 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)C1(c2ccc(Br)cc2)CCCC1 ZINC000026647319 557246152 /nfs/dbraw/zinc/24/61/52/557246152.db2.gz LGVQBNDKWCJVER-UHFFFAOYSA-N 0 0 438.369 4.822 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)c1 ZINC000024928553 557246434 /nfs/dbraw/zinc/24/64/34/557246434.db2.gz KJUWUXNHIYHDKK-UHFFFAOYSA-N 0 0 442.924 4.557 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000072265281 557250536 /nfs/dbraw/zinc/25/05/36/557250536.db2.gz WEPGVCZBYQIXGS-VWLOTQADSA-N 0 0 438.568 4.538 50 0 IJAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000027024661 557255845 /nfs/dbraw/zinc/25/58/45/557255845.db2.gz BCBRMQGEGSWPJR-SXSDINLZSA-N 0 0 442.799 4.807 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@@H]2C1 ZINC000100580340 557265382 /nfs/dbraw/zinc/26/53/82/557265382.db2.gz DNCFJPFQNZRNOK-FDQGKXFDSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000027580125 557266497 /nfs/dbraw/zinc/26/64/97/557266497.db2.gz SMYISDDXIXGNTE-NRFANRHFSA-N 0 0 426.944 4.815 50 0 IJAARN CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC ZINC000000822879 557268474 /nfs/dbraw/zinc/26/84/74/557268474.db2.gz OGJRQXJMWJBCBC-PDGQHHTCSA-N 0 0 437.492 4.661 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CC[C@@H](C)C2 ZINC000000827146 557270656 /nfs/dbraw/zinc/27/06/56/557270656.db2.gz FAMYATHVJGZCCP-SVTZGKHISA-N 0 0 446.569 4.715 50 0 IJAARN CSc1ncc(Br)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000027742945 557272262 /nfs/dbraw/zinc/27/22/62/557272262.db2.gz CWJXMAHYYYUVGD-UHFFFAOYSA-N 0 0 426.645 4.886 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NC(C)C)=CSC2=N1 ZINC000101387164 557282222 /nfs/dbraw/zinc/28/22/22/557282222.db2.gz OGELSNQFGMXFFN-QFIPXVFZSA-N 0 0 441.597 4.863 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N12 ZINC000101386808 557282229 /nfs/dbraw/zinc/28/22/29/557282229.db2.gz LDOVZKFQUZWGCY-YCRPNKLZSA-N 0 0 441.597 4.908 50 0 IJAARN CC(C)C[C@H]1Nc2ccc(Br)cc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000101523348 557290819 /nfs/dbraw/zinc/29/08/19/557290819.db2.gz VRYLRODQHUHQCL-KRWDZBQOSA-N 0 0 429.293 4.844 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NCCc1ccc(Cl)cc1 ZINC000014070628 557297690 /nfs/dbraw/zinc/29/76/90/557297690.db2.gz LDUGGZUDVDGIPD-UHFFFAOYSA-N 0 0 430.936 4.524 50 0 IJAARN Cc1sc2nc(S[C@@H](C)C(=O)N3CCc4ccccc43)n(CC(C)C)c(=O)c2c1C ZINC000014075768 557299101 /nfs/dbraw/zinc/29/91/01/557299101.db2.gz IJDTZRVCZHSWRK-INIZCTEOSA-N 0 0 441.622 4.801 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1Br ZINC000013140910 557299212 /nfs/dbraw/zinc/29/92/12/557299212.db2.gz OFGOESSNASRLLL-UHFFFAOYSA-N 0 0 426.376 4.576 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(F)cc5)ccc4[nH]cc-3c2=O)cc1C ZINC000101828068 557299740 /nfs/dbraw/zinc/29/97/40/557299740.db2.gz UCFMYUMLKBBDOJ-UHFFFAOYSA-N 0 0 440.478 4.505 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4ccc(F)cc4)c(=O)c23)s1 ZINC000014109346 557304056 /nfs/dbraw/zinc/30/40/56/557304056.db2.gz URYDPOBLRCRNLW-ZDUSSCGKSA-N 0 0 427.526 4.511 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)c1 ZINC000102639972 557304356 /nfs/dbraw/zinc/30/43/56/557304356.db2.gz XXQCUJZVTCHZED-XWIAVFTESA-N 0 0 426.900 4.527 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(F)ccc3C)C(=O)C2)cc1C ZINC000101880384 557304663 /nfs/dbraw/zinc/30/46/63/557304663.db2.gz IDOCLMVIPHVDNX-UHFFFAOYSA-N 0 0 430.483 4.642 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000102652305 557304831 /nfs/dbraw/zinc/30/48/31/557304831.db2.gz JZODCCJOWSBIEW-JGMYCQGLSA-N 0 0 427.891 4.788 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000101880759 557304929 /nfs/dbraw/zinc/30/49/29/557304929.db2.gz JWGJSHYFMXVBIP-UHFFFAOYSA-N 0 0 432.911 4.794 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCCC1=N2 ZINC000101945814 557307841 /nfs/dbraw/zinc/30/78/41/557307841.db2.gz GPUQBUCANHUFGJ-OAHLLOKOSA-N 0 0 440.341 4.924 50 0 IJAARN COc1cccc(CNC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000102201484 557314873 /nfs/dbraw/zinc/31/48/73/557314873.db2.gz XGUTYKMLUPIMAN-UHFFFAOYSA-N 0 0 429.476 4.735 50 0 IJAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1nc(-c2ccco2)no1 ZINC000032754540 557315336 /nfs/dbraw/zinc/31/53/36/557315336.db2.gz LBYAVFPBCYTKQV-UHFFFAOYSA-N 0 0 447.314 4.504 50 0 IJAARN CCc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cnn1-c1ccccc1 ZINC000024436511 557319876 /nfs/dbraw/zinc/31/98/76/557319876.db2.gz FQXVAIQVZLEXCD-UHFFFAOYSA-N 0 0 429.480 4.602 50 0 IJAARN COc1cc(NC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)cc(OC)c1OC ZINC000032953297 557320589 /nfs/dbraw/zinc/32/05/89/557320589.db2.gz NQGOJLCKWWNKTQ-UHFFFAOYSA-N 0 0 429.476 4.883 50 0 IJAARN Cc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000033113929 557326054 /nfs/dbraw/zinc/32/60/54/557326054.db2.gz MIHFANCJAGEVGD-QGZVFWFLSA-N 0 0 437.971 4.934 50 0 IJAARN Cc1cc2c(ccnc2N2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)s1 ZINC000033171962 557326644 /nfs/dbraw/zinc/32/66/44/557326644.db2.gz WAPSMQAQYBASLQ-UHFFFAOYSA-N 0 0 448.636 4.787 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1F ZINC000033273094 557328842 /nfs/dbraw/zinc/32/88/42/557328842.db2.gz KDIURFYKMLSGCD-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033258437 557329452 /nfs/dbraw/zinc/32/94/52/557329452.db2.gz GQZKXWUUAQSIIK-UHFFFAOYSA-N 0 0 438.915 4.725 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000033296975 557330474 /nfs/dbraw/zinc/33/04/74/557330474.db2.gz HTAKOWDPSBOMQW-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000033400965 557334208 /nfs/dbraw/zinc/33/42/08/557334208.db2.gz YPRUJQAKQPGJSV-MLBQELRYSA-N 0 0 440.565 4.769 50 0 IJAARN CCOC(=O)c1cc(C(C)(C)C)n(C2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000023328766 557338399 /nfs/dbraw/zinc/33/83/99/557338399.db2.gz DFANBXXYPUZVSO-UHFFFAOYSA-N 0 0 433.552 4.988 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1 ZINC000102530454 557342572 /nfs/dbraw/zinc/34/25/72/557342572.db2.gz NUTHNZWWHNLRRG-UHFFFAOYSA-N 0 0 447.922 4.523 50 0 IJAARN Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)n(C(C)(C)C)n1 ZINC000023332333 557344583 /nfs/dbraw/zinc/34/45/83/557344583.db2.gz LLUZAPDEPJUFFP-DEOSSOPVSA-N 0 0 434.559 4.633 50 0 IJAARN O=C(c1ccc(F)c(F)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023332540 557344815 /nfs/dbraw/zinc/34/48/15/557344815.db2.gz LMEIUQPSNRJQBY-UHFFFAOYSA-N 0 0 428.429 4.790 50 0 IJAARN COc1ccc(CNC(=O)c2cc(N(C)C3CCCCC3)nc3ccccc32)cc1OC ZINC000023334994 557349873 /nfs/dbraw/zinc/34/98/73/557349873.db2.gz VCLLXJIGSVOVKA-UHFFFAOYSA-N 0 0 433.552 4.951 50 0 IJAARN O=C(c1cccc2c1OCCO2)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023427106 557353673 /nfs/dbraw/zinc/35/36/73/557353673.db2.gz SKBHRXGAJCGHKV-XMMPIXPASA-N 0 0 448.950 4.659 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000023437835 557354623 /nfs/dbraw/zinc/35/46/23/557354623.db2.gz NGRDMXWHWHBYBU-SFHVURJKSA-N 0 0 447.535 4.597 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc3c(cc1Cl)OCO3)n2CCOC ZINC000023430728 557355260 /nfs/dbraw/zinc/35/52/60/557355260.db2.gz HIWIIAVAEWMOQY-UHFFFAOYSA-N 0 0 448.928 4.534 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023432308 557355400 /nfs/dbraw/zinc/35/54/00/557355400.db2.gz QDPCKGYGMMYNKU-RUZDIDTESA-N 0 0 438.568 4.538 50 0 IJAARN COc1cc([C@H]2c3c(N)c(C(C)=O)sc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000102594740 557357194 /nfs/dbraw/zinc/35/71/94/557357194.db2.gz NVUDPOVWVAWLJJ-MRXNPFEDSA-N 0 0 428.510 4.773 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000023439485 557357724 /nfs/dbraw/zinc/35/77/24/557357724.db2.gz BFQSDYPDUBOROJ-WXTAPIANSA-N 0 0 447.531 4.654 50 0 IJAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000220787511 557366872 /nfs/dbraw/zinc/36/68/72/557366872.db2.gz XYPYXOGONRTOEU-SFHVURJKSA-N 0 0 447.564 4.696 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102722059 557368845 /nfs/dbraw/zinc/36/88/45/557368845.db2.gz NPFRISRZXQKFFD-ISJGIBHGSA-N 0 0 436.467 4.597 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3F)N12 ZINC000102744500 557377073 /nfs/dbraw/zinc/37/70/73/557377073.db2.gz PRLBVAALQCUPCJ-SPLOXXLWSA-N 0 0 445.560 4.657 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cc(OC)cc(OC)c3)C2)cc1 ZINC000102745043 557377561 /nfs/dbraw/zinc/37/75/61/557377561.db2.gz LKHWEYKXPUEDCQ-FPTDNZKUSA-N 0 0 448.479 4.724 50 0 IJAARN O=C(Nc1cccc(O)c1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000013602190 557380569 /nfs/dbraw/zinc/38/05/69/557380569.db2.gz BBTZIICYQIPWOQ-MOSHPQCFSA-N 0 0 437.293 4.564 50 0 IJAARN Cc1cc(CN2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc43)CC2)on1 ZINC000023982560 557390098 /nfs/dbraw/zinc/39/00/98/557390098.db2.gz QOVYMSGNNRLZTC-UHFFFAOYSA-N 0 0 446.938 4.810 50 0 IJAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 ZINC000011695020 557393008 /nfs/dbraw/zinc/39/30/08/557393008.db2.gz BRUMTALOIFURRJ-UHFFFAOYSA-N 0 0 434.489 4.586 50 0 IJAARN CC(=O)N1C[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)Oc2ccccc21 ZINC000024474936 557418588 /nfs/dbraw/zinc/41/85/88/557418588.db2.gz YOBHKTVBGVLLFK-NRFANRHFSA-N 0 0 429.501 4.716 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C)nc3ccccc3c2=O)nc1 ZINC000103966273 557443570 /nfs/dbraw/zinc/44/35/70/557443570.db2.gz XTVXNUHVRKGZIB-KRWDZBQOSA-N 0 0 430.533 4.517 50 0 IJAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O ZINC000014792026 557455727 /nfs/dbraw/zinc/45/57/27/557455727.db2.gz VCUWVXFMCJGETI-SANMLTNESA-N 0 0 443.503 4.583 50 0 IJAARN COCc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC000014795456 557456077 /nfs/dbraw/zinc/45/60/77/557456077.db2.gz DQJUNYBARCEOEG-UHFFFAOYSA-N 0 0 444.940 4.848 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(NC(=O)c2ccco2)c1 ZINC000010109739 557497011 /nfs/dbraw/zinc/49/70/11/557497011.db2.gz WIWNELXXYJNVLI-UHFFFAOYSA-N 0 0 445.431 4.638 50 0 IJAARN Cc1cc(C)cc(NC(=O)CCn2c3nn(CC(C)C)cc3c(C(F)(F)F)cc2=O)c1 ZINC000036621725 557517004 /nfs/dbraw/zinc/51/70/04/557517004.db2.gz ARMWGQGZLFKMNI-UHFFFAOYSA-N 0 0 434.462 4.518 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)n2)o1 ZINC000012052534 557525669 /nfs/dbraw/zinc/52/56/69/557525669.db2.gz UOYBVIJGWULDTM-UHFFFAOYSA-N 0 0 425.441 4.691 50 0 IJAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000106543172 557530099 /nfs/dbraw/zinc/53/00/99/557530099.db2.gz KHKIMAMHXXRYJP-IAGOWNOFSA-N 0 0 434.989 4.594 50 0 IJAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1=O ZINC000044840776 557539295 /nfs/dbraw/zinc/53/92/95/557539295.db2.gz HEOREUDNDOWKOW-GOSISDBHSA-N 0 0 443.503 4.565 50 0 IJAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)nn2)cc1 ZINC000045921328 557547284 /nfs/dbraw/zinc/54/72/84/557547284.db2.gz RIILBDHXLZITQH-UHFFFAOYSA-N 0 0 436.556 4.608 50 0 IJAARN COc1ccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[nH]3)c(C)o2)cc1OC ZINC000045924927 557549971 /nfs/dbraw/zinc/54/99/71/557549971.db2.gz ZKOXSRYRWKOJIS-UHFFFAOYSA-N 0 0 436.493 4.517 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941955 557551502 /nfs/dbraw/zinc/55/15/02/557551502.db2.gz KERNGIVFDMZFRS-XMMPIXPASA-N 0 0 443.499 4.843 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942347 557551985 /nfs/dbraw/zinc/55/19/85/557551985.db2.gz DCSJVNQEADBJRK-HSZRJFAPSA-N 0 0 433.435 4.616 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943216 557552328 /nfs/dbraw/zinc/55/23/28/557552328.db2.gz FYFOHFIPFDCAKS-UHFFFAOYSA-N 0 0 447.310 4.622 50 0 IJAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1OC ZINC000045974143 557556073 /nfs/dbraw/zinc/55/60/73/557556073.db2.gz FUFBHAWBMHVIBG-UHFFFAOYSA-N 0 0 449.938 4.568 50 0 IJAARN Cc1nc(/C=C/C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)cs1 ZINC000040072318 557684669 /nfs/dbraw/zinc/68/46/69/557684669.db2.gz UXACYGOVRLXOQE-VMPITWQZSA-N 0 0 427.570 4.677 50 0 IJAARN O=S(=O)(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040152636 557704489 /nfs/dbraw/zinc/70/44/89/557704489.db2.gz HLCGQRLCEYFJBA-UHFFFAOYSA-N 0 0 429.807 4.742 50 0 IJAARN COC(=O)c1c(F)cc(NC(=O)N(Cc2cccc(C)c2)Cc2ccccn2)cc1F ZINC000225785003 557777775 /nfs/dbraw/zinc/77/77/75/557777775.db2.gz SNUYIOQGSUDEBP-UHFFFAOYSA-N 0 0 425.435 4.689 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn23)C1 ZINC000096323822 557779291 /nfs/dbraw/zinc/77/92/91/557779291.db2.gz LUQVEUZXLOQBHE-UHFFFAOYSA-N 0 0 437.500 4.586 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000024985929 557828940 /nfs/dbraw/zinc/82/89/40/557828940.db2.gz QOEWITDZCMRHEL-FQEVSTJZSA-N 0 0 436.577 4.953 50 0 IJAARN O=C(Nc1cccnc1Cl)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848519 557829528 /nfs/dbraw/zinc/82/95/28/557829528.db2.gz FLFFTXPEOQGRFV-UHFFFAOYSA-N 0 0 442.184 4.962 50 0 IJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1 ZINC000228511888 557830446 /nfs/dbraw/zinc/83/04/46/557830446.db2.gz OEGLMAGEXLFNKK-LMMKCTJWSA-N 0 0 429.586 4.769 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@@H](O)c3ccccc3)CC(C)(C)C)cc2)C[C@H](C)O1 ZINC000229413737 557832263 /nfs/dbraw/zinc/83/22/63/557832263.db2.gz XEMRTSPOVFHAJK-JXALWOEJSA-N 0 0 439.600 4.914 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000229899382 557833695 /nfs/dbraw/zinc/83/36/95/557833695.db2.gz NYJVOOYIRMZESA-DNLXBLNOSA-N 0 0 429.564 4.962 50 0 IJAARN COc1ccc(Cl)c2c3nnc(SCC(=O)Nc4ccc(Cl)cc4)nc3[nH]c21 ZINC000000862175 557835887 /nfs/dbraw/zinc/83/58/87/557835887.db2.gz KONWMMNSOBWRLT-UHFFFAOYSA-N 0 0 434.308 4.552 50 0 IJAARN O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000003239375 557842017 /nfs/dbraw/zinc/84/20/17/557842017.db2.gz WUMIJHYBUKWQRJ-YBEGLDIGSA-N 0 0 429.473 4.630 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@H]2C1 ZINC000239038597 557842560 /nfs/dbraw/zinc/84/25/60/557842560.db2.gz DNCFJPFQNZRNOK-QBIMZIAESA-N 0 0 442.309 4.594 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000241776831 557846882 /nfs/dbraw/zinc/84/68/82/557846882.db2.gz RTASNQGRAPUKIV-FQEVSTJZSA-N 0 0 446.532 4.994 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000885139 557855299 /nfs/dbraw/zinc/85/52/99/557855299.db2.gz IFCVNFBJOPFQMA-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN CCOc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036646379 560082096 /nfs/dbraw/zinc/08/20/96/560082096.db2.gz PGFUIWZVUGAQMW-UHFFFAOYSA-N 0 0 436.485 4.935 50 0 biogenic,in-vitro IJAARN COCCOC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2c1cc(O)c1ccccc21 ZINC000008782974 560210880 /nfs/dbraw/zinc/21/08/80/560210880.db2.gz YUKWYFAHLXHGQM-UHFFFAOYSA-N 0 0 433.504 4.999 50 0 biogenic,in-vitro IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001018716 562920030 /nfs/dbraw/zinc/92/00/30/562920030.db2.gz RFSYFPVBKHLXNY-HSZRJFAPSA-N 0 0 436.533 4.552 50 0 aggregator IJAARN Cc1ccc(N(C(=O)COc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001469787 562922074 /nfs/dbraw/zinc/92/20/74/562922074.db2.gz CNTAERISDHEXBC-UHFFFAOYSA-N 0 0 429.925 4.758 50 0 IJAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002316868 562926914 /nfs/dbraw/zinc/92/69/14/562926914.db2.gz AIUOFOGOHDIYHU-UHFFFAOYSA-N 0 0 444.308 4.598 50 0 IJAARN Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1 ZINC000002930991 562930704 /nfs/dbraw/zinc/93/07/04/562930704.db2.gz QNHKZQFIYNROKT-UHFFFAOYSA-N 0 0 429.432 4.605 50 0 aggregator IJAARN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1F ZINC000003024443 562931824 /nfs/dbraw/zinc/93/18/24/562931824.db2.gz UPSSFZQKAVDPQG-UHFFFAOYSA-N 0 0 426.513 4.856 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1Cl ZINC000003192025 562932650 /nfs/dbraw/zinc/93/26/50/562932650.db2.gz BUJTZUJOKDKHSJ-OAQYLSRUSA-N 0 0 433.943 4.853 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OCC ZINC000003582212 562936497 /nfs/dbraw/zinc/93/64/97/562936497.db2.gz SFMWYQJYMTXTJI-UHFFFAOYSA-N 0 0 428.492 4.984 50 0 IJAARN CSc1ccc(CCNC(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587727 562950421 /nfs/dbraw/zinc/95/04/21/562950421.db2.gz UPOLHIMLAVPQLP-OAHLLOKOSA-N 0 0 437.590 4.561 50 0 IJAARN Cc1nn([C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2c3ccccc3sc21 ZINC000008587738 562950447 /nfs/dbraw/zinc/95/04/47/562950447.db2.gz JJXYLJDFKWZWGH-INIZCTEOSA-N 0 0 435.549 4.584 50 0 IJAARN C[C@H]1CCc2c(sc3nc(-c4cc5cc(Br)ccc5oc4=O)[nH]c(=O)c32)C1 ZINC000008588374 562950765 /nfs/dbraw/zinc/95/07/65/562950765.db2.gz NPHSFQFAFCJIAJ-VIFPVBQESA-N 0 0 443.322 4.645 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589227 562951164 /nfs/dbraw/zinc/95/11/64/562951164.db2.gz DEBCXZZCVABMIA-PMERELPUSA-N 0 0 445.968 4.753 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)c1 ZINC000008589340 562951221 /nfs/dbraw/zinc/95/12/21/562951221.db2.gz GDKBBWROGGZAAS-UHFFFAOYSA-N 0 0 428.492 4.775 50 0 IJAARN O=C(Cn1cc(SCc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCOCC1 ZINC000008589728 562951362 /nfs/dbraw/zinc/95/13/62/562951362.db2.gz ZHYGJMORDDYUCT-UHFFFAOYSA-N 0 0 434.483 4.811 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 ZINC000008598077 562954169 /nfs/dbraw/zinc/95/41/69/562954169.db2.gz VXRGIVNWXHCALR-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)sc2c1 ZINC000008600353 562955048 /nfs/dbraw/zinc/95/50/48/562955048.db2.gz IZELADXNMZEBDR-UHFFFAOYSA-N 0 0 439.924 4.811 50 0 IJAARN Cc1c(CCNC(=O)c2ccc(C(F)(F)F)cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000008601738 562955592 /nfs/dbraw/zinc/95/55/92/562955592.db2.gz QGLGMEHJJLKBCL-UHFFFAOYSA-N 0 0 448.445 4.897 50 0 IJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008606646 562957070 /nfs/dbraw/zinc/95/70/70/562957070.db2.gz ZLBIJHLTFLOTDR-VWLOTQADSA-N 0 0 440.503 4.712 50 0 IJAARN COc1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)cc1Cl ZINC000008609409 562957839 /nfs/dbraw/zinc/95/78/39/562957839.db2.gz DVJYNWCKMKIZEQ-UHFFFAOYSA-N 0 0 444.915 4.589 50 0 IJAARN CCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1OC ZINC000008611785 562958707 /nfs/dbraw/zinc/95/87/07/562958707.db2.gz RNWQURMGXMODES-UHFFFAOYSA-N 0 0 432.314 4.675 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)coc2c1C ZINC000008611915 562958790 /nfs/dbraw/zinc/95/87/90/562958790.db2.gz OZXXDSKFNGKXOY-QGZVFWFLSA-N 0 0 440.565 4.794 50 0 aggregator IJAARN COc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)n2)cc1 ZINC000008612125 562959007 /nfs/dbraw/zinc/95/90/07/562959007.db2.gz UEZTYAHOVXOBEC-UHFFFAOYSA-N 0 0 442.504 4.680 50 0 IJAARN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000008615081 562959754 /nfs/dbraw/zinc/95/97/54/562959754.db2.gz KHPQEMLKUOBVTC-UHFFFAOYSA-N 0 0 426.494 4.505 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c(Cl)c1 ZINC000008619666 562959962 /nfs/dbraw/zinc/95/99/62/562959962.db2.gz MZVXJBXOOCKVPE-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000008673671 562961306 /nfs/dbraw/zinc/96/13/06/562961306.db2.gz RVIHZKAWQTYHHH-UHFFFAOYSA-N 0 0 425.579 4.962 50 0 IJAARN CCn1c2ccccc2c2sc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2c1=O ZINC000008681687 562961720 /nfs/dbraw/zinc/96/17/20/562961720.db2.gz XJUXERTZGLXLLP-UHFFFAOYSA-N 0 0 438.505 4.514 50 0 IJAARN Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccc3ccccc3c2)c1C(N)=O ZINC000008683907 562962066 /nfs/dbraw/zinc/96/20/66/562962066.db2.gz GQOVZUDFQBBMGB-UHFFFAOYSA-N 0 0 444.512 4.880 50 0 IJAARN COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000008685493 562962528 /nfs/dbraw/zinc/96/25/28/562962528.db2.gz UGSQBUVQXIDCBD-UHFFFAOYSA-N 0 0 436.618 4.661 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000008686294 562962715 /nfs/dbraw/zinc/96/27/15/562962715.db2.gz CZDKCJVTLXAERJ-QGZVFWFLSA-N 0 0 441.487 4.721 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1 ZINC000008686342 562962784 /nfs/dbraw/zinc/96/27/84/562962784.db2.gz TXDVOGQIRMNCLU-UHFFFAOYSA-N 0 0 430.533 4.547 50 0 IJAARN Cc1ccc(S(=O)(=O)NCc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000008686928 562962939 /nfs/dbraw/zinc/96/29/39/562962939.db2.gz HDYVRWWHPKPOGI-UHFFFAOYSA-N 0 0 438.936 4.635 50 0 IJAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC ZINC000009360579 562969633 /nfs/dbraw/zinc/96/96/33/562969633.db2.gz ROTCUWUVLDPCSI-DEOSSOPVSA-N 0 0 429.451 4.983 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1 ZINC000009591411 562973678 /nfs/dbraw/zinc/97/36/78/562973678.db2.gz QUYTWGPTUBKWKP-LJQANCHMSA-N 0 0 438.499 4.757 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)Cc3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000009962116 562977945 /nfs/dbraw/zinc/97/79/45/562977945.db2.gz YYWVULOLXYVFQM-UHFFFAOYSA-N 0 0 448.466 4.937 50 0 IJAARN COc1cc([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000085988136 563179986 /nfs/dbraw/zinc/17/99/86/563179986.db2.gz DWJWRXXUKHHESZ-OXJNMPFZSA-N 0 0 437.323 4.529 50 0 IJAARN Cc1cc(-c2csc(-c3cccc(NC(=O)CN4CCOCC4)c3)n2)c(C)n1C1CC1 ZINC000023936658 568614064 /nfs/dbraw/zinc/61/40/64/568614064.db2.gz WOLXLKFUWHCMNL-UHFFFAOYSA-N 0 0 436.581 4.501 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1C ZINC000000904264 568636247 /nfs/dbraw/zinc/63/62/47/568636247.db2.gz NYXDUVSYZCZABR-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc4ccc(OCC)cc4cc3c2N)cc1 ZINC000000907418 568636414 /nfs/dbraw/zinc/63/64/14/568636414.db2.gz YVQRVHKSDOGJLR-UHFFFAOYSA-N 0 0 435.505 4.859 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c(Br)c2)cc1 ZINC000000944078 568641837 /nfs/dbraw/zinc/64/18/37/568641837.db2.gz QDUXODHZZXOSDW-UHFFFAOYSA-N 0 0 434.311 4.824 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2ccccc2Br)sc2c1CCCC2 ZINC000000942884 568642255 /nfs/dbraw/zinc/64/22/55/568642255.db2.gz QPBZVVBAWIMRHX-UHFFFAOYSA-N 0 0 438.343 4.584 50 0 IJAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccc(C)cc2)cc1 ZINC000086066620 568644412 /nfs/dbraw/zinc/64/44/12/568644412.db2.gz ARRFVKDHEZLEFZ-UHFFFAOYSA-N 0 0 435.915 4.559 50 0 IJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000000976337 568648030 /nfs/dbraw/zinc/64/80/30/568648030.db2.gz FGGJMBLWUXVTQK-HNNXBMFYSA-N 0 0 429.977 4.991 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000000990110 568648272 /nfs/dbraw/zinc/64/82/72/568648272.db2.gz ZJENKJQRRGACRH-HSZRJFAPSA-N 0 0 438.321 4.820 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)COc1ccc(Br)cc1 ZINC000000999394 568649640 /nfs/dbraw/zinc/64/96/40/568649640.db2.gz VBCXXBGXRLOSGL-UHFFFAOYSA-N 0 0 448.748 4.982 50 0 IJAARN Cc1cccc2c1ncn(CCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c2=O ZINC000025285253 568651198 /nfs/dbraw/zinc/65/11/98/568651198.db2.gz ZJTOTIDBQKZJMM-DEOSSOPVSA-N 0 0 425.532 4.585 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001020888 568652973 /nfs/dbraw/zinc/65/29/73/568652973.db2.gz ZTGITZCTHZKTHH-UHFFFAOYSA-N 0 0 432.501 4.902 50 0 IJAARN COc1ccc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1Br ZINC000001093278 568658540 /nfs/dbraw/zinc/65/85/40/568658540.db2.gz JAAFOTBXBYNODV-HNNXBMFYSA-N 0 0 448.367 4.893 50 0 IJAARN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 ZINC000001097643 568658860 /nfs/dbraw/zinc/65/88/60/568658860.db2.gz LJXXHABBIKZHFO-VIFPVBQESA-N 0 0 425.333 4.665 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357881 568731601 /nfs/dbraw/zinc/73/16/01/568731601.db2.gz QOLRLLFJMZLYQJ-ZRLWHYHISA-N 0 0 430.629 4.973 50 0 IJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000001175525 568735563 /nfs/dbraw/zinc/73/55/63/568735563.db2.gz WTEICMVGTONWET-UHFFFAOYSA-N 0 0 429.549 4.979 50 0 IJAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3cc4ccccc4oc3=O)c(C(F)(F)F)c2)n1 ZINC000063332036 568738982 /nfs/dbraw/zinc/73/89/82/568738982.db2.gz XDWRJCCDNZWSPO-UHFFFAOYSA-N 0 0 441.409 4.544 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)cc1Cl ZINC000031686955 568741622 /nfs/dbraw/zinc/74/16/22/568741622.db2.gz CTGQRURNHQIDBJ-VIFPVBQESA-N 0 0 432.673 4.665 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)sc2c1 ZINC000003259774 568744269 /nfs/dbraw/zinc/74/42/69/568744269.db2.gz AOIMRQNOZKQFHS-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN CC(C)C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000003259723 568744304 /nfs/dbraw/zinc/74/43/04/568744304.db2.gz OOHPOYNIOCXDGT-XMMPIXPASA-N 0 0 442.515 4.915 50 0 IJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000003306611 568745788 /nfs/dbraw/zinc/74/57/88/568745788.db2.gz YNOQNLZWILHACJ-UHFFFAOYSA-N 0 0 427.485 4.869 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)Cc1ccccc1F)Nc1ccccc1C(F)(F)F ZINC000003353033 568746942 /nfs/dbraw/zinc/74/69/42/568746942.db2.gz KPHPWUBMALIRAW-UHFFFAOYSA-N 0 0 434.389 4.648 50 0 IJAARN Cc1ccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2ccncc2)cc1C ZINC000044156659 568748931 /nfs/dbraw/zinc/74/89/31/568748931.db2.gz BPVYDOQOSKITNC-UHFFFAOYSA-N 0 0 431.927 4.572 50 0 IJAARN COCCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O ZINC000003493651 568750115 /nfs/dbraw/zinc/75/01/15/568750115.db2.gz VDYRXGLCABCUKF-UHFFFAOYSA-N 0 0 430.529 4.685 50 0 IJAARN O=C(C=Cc1cccc(Cl)c1)Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21 ZINC000003583310 568751246 /nfs/dbraw/zinc/75/12/46/568751246.db2.gz JTHYXTLMVCOLNK-OUKQBFOZSA-N 0 0 438.892 4.520 50 0 IJAARN CCCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3S[C@@H](CC)C(=O)N32)cc1 ZINC000003637572 568752291 /nfs/dbraw/zinc/75/22/91/568752291.db2.gz GJMFISPIIIYZSM-AZUAARDMSA-N 0 0 430.570 4.857 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3ncccc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586465 568759445 /nfs/dbraw/zinc/75/94/45/568759445.db2.gz URUFYINOAITKGG-XMMPIXPASA-N 0 0 436.515 4.971 50 0 biogenic IJAARN O=C(c1ccco1)N1CCN(c2ccc3cccc(OCc4cccc(F)c4)c3n2)CC1 ZINC000015390717 568761387 /nfs/dbraw/zinc/76/13/87/568761387.db2.gz YRGPNFBKSKPELM-UHFFFAOYSA-N 0 0 431.467 4.508 50 0 IJAARN CCc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 ZINC000001240291 568774567 /nfs/dbraw/zinc/77/45/67/568774567.db2.gz RTGDBPUZEXZIAO-UHFFFAOYSA-N 0 0 429.549 4.672 50 0 IJAARN COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2OC)cc1 ZINC000001245729 568774779 /nfs/dbraw/zinc/77/47/79/568774779.db2.gz QMCRTGANCFLATF-PDDUZAPNSA-N 0 0 427.503 4.652 50 0 IJAARN COc1ccc2cc([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001247107 568774878 /nfs/dbraw/zinc/77/48/78/568774878.db2.gz VZLSEQVYUSPMEP-HXUWFJFHSA-N 0 0 439.899 4.612 50 0 IJAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(Br)c4)no3)c2CO1 ZINC000263616685 568776727 /nfs/dbraw/zinc/77/67/27/568776727.db2.gz KAWHNKASSLWYOH-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Br)c5)no4)c3CO2)c1 ZINC000263616096 568776941 /nfs/dbraw/zinc/77/69/41/568776941.db2.gz GZJGGINAMIVRPD-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1OC ZINC000263619214 568777866 /nfs/dbraw/zinc/77/78/66/568777866.db2.gz XMMNUSVFLFILQY-FQEVSTJZSA-N 0 0 438.871 4.542 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(-n4cccc4)cc3)C2=O)cc1 ZINC000004124732 568780618 /nfs/dbraw/zinc/78/06/18/568780618.db2.gz SFPSRIDKKOSZBZ-MUUNZHRXSA-N 0 0 436.511 4.793 50 0 IJAARN CC(C)(C)OC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004145358 568781944 /nfs/dbraw/zinc/78/19/44/568781944.db2.gz JNUILWJSBQKUFV-UHFFFAOYSA-N 0 0 436.459 4.782 50 0 IJAARN COC(=O)c1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1OC ZINC000004145344 568781949 /nfs/dbraw/zinc/78/19/49/568781949.db2.gz GPJGNKKFTGLWML-UHFFFAOYSA-N 0 0 445.544 4.946 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 ZINC000001387678 568784655 /nfs/dbraw/zinc/78/46/55/568784655.db2.gz LADWNMUJCIYPFJ-QHCPKHFHSA-N 0 0 429.545 4.697 50 0 IJAARN COc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)c(F)c4)c3C2=O)cc1 ZINC000001405538 568786966 /nfs/dbraw/zinc/78/69/66/568786966.db2.gz XKLYGRQVSBLWCL-UHFFFAOYSA-N 0 0 426.444 4.770 50 0 IJAARN Cc1[nH]c2c(cc(F)cc2Br)c1CCNC(=S)NCCc1ccccc1 ZINC000001410391 568787844 /nfs/dbraw/zinc/78/78/44/568787844.db2.gz GORPOWAWYMYMDI-UHFFFAOYSA-N 0 0 434.378 4.627 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000001413028 568789969 /nfs/dbraw/zinc/78/99/69/568789969.db2.gz TZNSDXXWAXGEKX-UHFFFAOYSA-N 0 0 430.309 4.760 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)cc2F)n1 ZINC000084105042 568792750 /nfs/dbraw/zinc/79/27/50/568792750.db2.gz SUNVNOJZGGMXKN-UHFFFAOYSA-N 0 0 427.911 4.532 50 0 IJAARN Cc1ccccc1O[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001420958 568792962 /nfs/dbraw/zinc/79/29/62/568792962.db2.gz PSJCOTJBQQQXBW-RPWUZVMVSA-N 0 0 435.907 4.951 50 0 IJAARN COc1ccc(-c2oc(=O)n(Cc3ccc4c(c3)OCO4)c2-c2ccc(OC)cc2)cc1 ZINC000001426943 568793957 /nfs/dbraw/zinc/79/39/57/568793957.db2.gz BKQXPZQGCOMNCY-UHFFFAOYSA-N 0 0 431.444 4.570 50 0 IJAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2C1 ZINC000084169396 568795432 /nfs/dbraw/zinc/79/54/32/568795432.db2.gz GNQPFBKHGQVKPU-GOSISDBHSA-N 0 0 425.598 4.785 50 0 IJAARN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000084569567 568798855 /nfs/dbraw/zinc/79/88/55/568798855.db2.gz OPAMFJFBHBNQPU-UHFFFAOYSA-N 0 0 427.957 4.666 50 0 IJAARN C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)N(C)C1CCCCC1 ZINC000084667945 568799870 /nfs/dbraw/zinc/79/98/70/568799870.db2.gz NGFREEYENKVQLO-CYBMUJFWSA-N 0 0 425.360 4.827 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1nccs1 ZINC000015669775 568802142 /nfs/dbraw/zinc/80/21/42/568802142.db2.gz FELPNAWMZVDPNN-UHFFFAOYSA-N 0 0 444.538 4.875 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccs1 ZINC000015675529 568803708 /nfs/dbraw/zinc/80/37/08/568803708.db2.gz AAFSECPVWJYMRH-DEOSSOPVSA-N 0 0 439.581 4.940 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 ZINC000015677021 568804419 /nfs/dbraw/zinc/80/44/19/568804419.db2.gz IBOVTINLVPUVSK-AREMUKBSSA-N 0 0 433.552 4.878 50 0 IJAARN Cc1ccccc1NC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000015679451 568805164 /nfs/dbraw/zinc/80/51/64/568805164.db2.gz OYCJPWXDPHPLNB-UHFFFAOYSA-N 0 0 435.528 4.760 50 0 IJAARN COc1ccc(CN(C(=O)Nc2cc(Cl)ccc2C)C2CCN(C(C)=O)CC2)cc1 ZINC000015679701 568805689 /nfs/dbraw/zinc/80/56/89/568805689.db2.gz FMCPUZINYYVXNM-UHFFFAOYSA-N 0 0 429.948 4.702 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1cc(C)ccc1C ZINC000015680346 568806085 /nfs/dbraw/zinc/80/60/85/568806085.db2.gz PHOBTHCFRHQRKB-UHFFFAOYSA-N 0 0 441.553 4.710 50 0 IJAARN CSc1ccc(CCNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000015682056 568806896 /nfs/dbraw/zinc/80/68/96/568806896.db2.gz ZZIPBMJUPKQQJT-UHFFFAOYSA-N 0 0 447.604 4.645 50 0 IJAARN COc1ccc(OC)c(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721071 568811871 /nfs/dbraw/zinc/81/18/71/568811871.db2.gz SZKNUKZUOZUKBH-QFIPXVFZSA-N 0 0 434.467 4.569 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721461 568811916 /nfs/dbraw/zinc/81/19/16/568811916.db2.gz WRWSOLPGVYRGHU-DEOSSOPVSA-N 0 0 442.515 4.898 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1OC ZINC000015721255 568811928 /nfs/dbraw/zinc/81/19/28/568811928.db2.gz LHEJZDQALMDHET-OAQYLSRUSA-N 0 0 434.467 4.569 50 0 IJAARN C=Cc1c(CN(C)CC(C)=O)c2cc(Br)ccc2n1CCc1ccccn1 ZINC000085393403 568817218 /nfs/dbraw/zinc/81/72/18/568817218.db2.gz ADMFPOQNGHRBFT-UHFFFAOYSA-N 0 0 426.358 4.705 50 0 IJAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001448106 568817458 /nfs/dbraw/zinc/81/74/58/568817458.db2.gz PHSLIVGKODUQEQ-UHFFFAOYSA-N 0 0 430.412 4.981 50 0 biogenic IJAARN CCOc1ccc([C@@H]2c3c([nH]nc3-c3cccc(OC)c3)C(=O)N2CCCOC(C)C)cc1 ZINC000085409652 568817850 /nfs/dbraw/zinc/81/78/50/568817850.db2.gz CQYDPNCNLOXLFP-RUZDIDTESA-N 0 0 449.551 4.844 50 0 IJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC ZINC000085411906 568818023 /nfs/dbraw/zinc/81/80/23/568818023.db2.gz NGNIIZWBRXIISN-FQEVSTJZSA-N 0 0 431.558 4.984 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000015773914 568823079 /nfs/dbraw/zinc/82/30/79/568823079.db2.gz WUHQZAJIMRZMNL-HSZRJFAPSA-N 0 0 430.504 4.694 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4C)CC3)c(C)o2)cc1 ZINC000015774810 568823279 /nfs/dbraw/zinc/82/32/79/568823279.db2.gz TVIVQHYVSOWZDP-UHFFFAOYSA-N 0 0 434.540 4.625 50 0 IJAARN NC(=O)c1ccc(-c2nc(CSCc3cc(Cl)cc4c3OCOC4)cs2)cc1 ZINC000063649410 568823611 /nfs/dbraw/zinc/82/36/11/568823611.db2.gz QNXQXJIANLELOT-UHFFFAOYSA-N 0 0 432.954 4.862 50 0 IJAARN CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000085644395 568829497 /nfs/dbraw/zinc/82/94/97/568829497.db2.gz OVCAIOYOPBGLIF-UHFFFAOYSA-N 0 0 436.899 4.841 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000015784881 568829799 /nfs/dbraw/zinc/82/97/99/568829799.db2.gz JOUWZFUXIUWJFT-UHFFFAOYSA-N 0 0 446.528 4.922 50 0 IJAARN CCCC(=O)OCc1cnc(C)c2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc12 ZINC000015784996 568829818 /nfs/dbraw/zinc/82/98/18/568829818.db2.gz QUCXWRCLVBQOAY-UHFFFAOYSA-N 0 0 439.855 4.710 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccnc(-c3cccc(F)c3)n2)CC1 ZINC000085649315 568830777 /nfs/dbraw/zinc/83/07/77/568830777.db2.gz OSTQDSMHQLETIG-UHFFFAOYSA-N 0 0 428.870 4.930 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(F)c2)c1C ZINC000085711291 568834999 /nfs/dbraw/zinc/83/49/99/568834999.db2.gz LXGQWBGFWHKAOX-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(C)cc2)c1C ZINC000085711249 568835022 /nfs/dbraw/zinc/83/50/22/568835022.db2.gz NYRNNQQAEWVJLI-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2cccc(C)c2)c1C ZINC000085712681 568835577 /nfs/dbraw/zinc/83/55/77/568835577.db2.gz UDAGMUGYHPCBAW-UHFFFAOYSA-N 0 0 440.565 4.508 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc2C)c1C ZINC000085711757 568835994 /nfs/dbraw/zinc/83/59/94/568835994.db2.gz RXAHYCWCWFMJQF-UHFFFAOYSA-N 0 0 448.519 4.688 50 0 IJAARN CCOC(=O)[C@H](C)Oc1cc(C)c2c(c1)oc(C)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001509386 568836121 /nfs/dbraw/zinc/83/61/21/568836121.db2.gz UVRZWCIBFHQSOD-KRWDZBQOSA-N 0 0 432.476 4.593 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000015796833 568838944 /nfs/dbraw/zinc/83/89/44/568838944.db2.gz LAEQCPCQGSLNOC-YOEHRIQHSA-N 0 0 427.595 4.580 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@H]1C ZINC000253390001 568839404 /nfs/dbraw/zinc/83/94/04/568839404.db2.gz OFMRYVGAPLYNKU-RTBURBONSA-N 0 0 426.561 4.531 50 0 IJAARN COc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc(OC)c1OC ZINC000001518186 568841075 /nfs/dbraw/zinc/84/10/75/568841075.db2.gz SRSKJXGPYLOXOB-UHFFFAOYSA-N 0 0 436.489 4.947 50 0 IJAARN Cc1sc2ncn3c(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nnc3c2c1C ZINC000015829889 568841462 /nfs/dbraw/zinc/84/14/62/568841462.db2.gz PBBOABIMZOBSAX-UHFFFAOYSA-N 0 0 437.472 4.705 50 0 IJAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000015833325 568842384 /nfs/dbraw/zinc/84/23/84/568842384.db2.gz NYMNWNJZSMAFBM-UHFFFAOYSA-N 0 0 447.560 4.879 50 0 IJAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccnc2)N2CCOCC2)cc1 ZINC000015859602 568847748 /nfs/dbraw/zinc/84/77/48/568847748.db2.gz SDRMTNCCQKUNPO-XMMPIXPASA-N 0 0 427.504 4.810 50 0 IJAARN O=C(Nc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2s1)c1ccccc1 ZINC000015861920 568848365 /nfs/dbraw/zinc/84/83/65/568848365.db2.gz ATVQECMTLCSDTK-UHFFFAOYSA-N 0 0 441.468 4.907 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 ZINC000015865456 568850495 /nfs/dbraw/zinc/85/04/95/568850495.db2.gz BAMAQOQTVHEGRX-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000015866607 568850792 /nfs/dbraw/zinc/85/07/92/568850792.db2.gz RIUJYTRXODYGOO-UHFFFAOYSA-N 0 0 447.516 4.647 50 0 IJAARN COc1ccccc1N1C(=O)N(Cc2ccccc2Cl)c2ccccc2S1(=O)=O ZINC000015868357 568851319 /nfs/dbraw/zinc/85/13/19/568851319.db2.gz UUEWUXCVRWABHQ-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1 ZINC000015882192 568856702 /nfs/dbraw/zinc/85/67/02/568856702.db2.gz KZVGWGHCEYWNPZ-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000015883379 568857548 /nfs/dbraw/zinc/85/75/48/568857548.db2.gz DQJJHMIOANZGLP-UHFFFAOYSA-N 0 0 431.879 4.553 50 0 IJAARN CCOc1ccc2[nH]c(=NC=C3N=C(c4ccc(Br)cc4)OC3=O)sc2c1 ZINC000015974306 568861332 /nfs/dbraw/zinc/86/13/32/568861332.db2.gz NOAKMJHSPJRTCE-GDNBJRDFSA-N 0 0 444.310 4.714 50 0 IJAARN O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cc(Cl)ccc1Cl ZINC000012937415 568867314 /nfs/dbraw/zinc/86/73/14/568867314.db2.gz XMJACYRSEGXAIJ-UHFFFAOYSA-N 0 0 430.217 4.695 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc(OCC)c1OCC ZINC000016047591 568869173 /nfs/dbraw/zinc/86/91/73/568869173.db2.gz CVULBRHCQCPRDZ-MDZDMXLPSA-N 0 0 429.498 4.646 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)c1 ZINC000575609710 568878865 /nfs/dbraw/zinc/87/88/65/568878865.db2.gz FHSVYBBYHFSLHE-IBGZPJMESA-N 0 0 432.339 4.650 50 0 IJAARN O=C(c1cc(Cl)sc1Cl)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615914 568881462 /nfs/dbraw/zinc/88/14/62/568881462.db2.gz GZVUVYREDXYYTG-ZDUSSCGKSA-N 0 0 438.785 4.710 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 ZINC000575620259 568882912 /nfs/dbraw/zinc/88/29/12/568882912.db2.gz RZDSTLSJUUNBDU-HXUWFJFHSA-N 0 0 432.911 4.825 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229513224 568886602 /nfs/dbraw/zinc/88/66/02/568886602.db2.gz WPKOZKGOMNWHLP-FDDCHVKYSA-N 0 0 427.976 4.731 50 0 IJAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000090607147 568889810 /nfs/dbraw/zinc/88/98/10/568889810.db2.gz NQQBEALUIJLBIH-UHFFFAOYSA-N 0 0 430.430 4.889 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012974437 568889836 /nfs/dbraw/zinc/88/98/36/568889836.db2.gz LVRXYQFLAKTYCG-UHFFFAOYSA-N 0 0 434.489 4.980 50 0 IJAARN O=C(CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)c1ccccc1F ZINC000090610265 568892169 /nfs/dbraw/zinc/89/21/69/568892169.db2.gz GKOCOTWHEHFDIX-UHFFFAOYSA-N 0 0 437.887 4.812 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1F ZINC000012980829 568893685 /nfs/dbraw/zinc/89/36/85/568893685.db2.gz UYGAHOHLYAZYFM-UHFFFAOYSA-N 0 0 445.903 4.990 50 0 IJAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000040040615 568896361 /nfs/dbraw/zinc/89/63/61/568896361.db2.gz OTECYKWYXGRKAU-UHFFFAOYSA-N 0 0 445.523 4.791 50 0 IJAARN Cc1c([C@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013014797 568901463 /nfs/dbraw/zinc/90/14/63/568901463.db2.gz SQVRFPIYHRDFND-AWEZNQCLSA-N 0 0 445.441 4.738 50 0 IJAARN O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786203 568907584 /nfs/dbraw/zinc/90/75/84/568907584.db2.gz WXHHZJRIPHUBPB-UHFFFAOYSA-N 0 0 426.097 4.534 50 0 IJAARN CCOc1ccc2cc(C(=O)Nc3cc(C(N)=O)ccc3NCc3ccccc3)[nH]c2c1 ZINC000089269873 568910002 /nfs/dbraw/zinc/91/00/02/568910002.db2.gz KBFKYMPGAVGEEE-UHFFFAOYSA-N 0 0 428.492 4.530 50 0 IJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000238901816 568910203 /nfs/dbraw/zinc/91/02/03/568910203.db2.gz MXDJBYWEIIEIQR-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239378410 568911440 /nfs/dbraw/zinc/91/14/40/568911440.db2.gz ORVFSAGTVMLGGL-HRCADAONSA-N 0 0 427.595 4.662 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000239434027 568911664 /nfs/dbraw/zinc/91/16/64/568911664.db2.gz YXEPNMZUECRAEI-NJDAHSKKSA-N 0 0 449.304 4.500 50 0 IJAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC[C@H]1CCCO1 ZINC000245228831 568913111 /nfs/dbraw/zinc/91/31/11/568913111.db2.gz GHSXEMHWLUJWSP-GYCJOSAFSA-N 0 0 437.565 4.673 50 0 IJAARN CC(=O)O[C@H]1C=C2C(C)=C[C@@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253527921 568920196 /nfs/dbraw/zinc/92/01/96/568920196.db2.gz SDHHPVPFUVQWKY-NWKKLHQESA-N 0 0 428.569 4.938 50 0 IJAARN CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1cccs1 ZINC000016497674 568920310 /nfs/dbraw/zinc/92/03/10/568920310.db2.gz YNRWWYATNJNSCU-UHFFFAOYSA-N 0 0 433.526 4.706 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1Cl ZINC000026884107 568923527 /nfs/dbraw/zinc/92/35/27/568923527.db2.gz ZIIUVAXLJLQBJJ-UHFFFAOYSA-N 0 0 441.768 4.723 50 0 IJAARN CCOc1ccc(-c2csc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c23)cc1 ZINC000001971005 568924058 /nfs/dbraw/zinc/92/40/58/568924058.db2.gz WCFCJZJCLVSXFM-UHFFFAOYSA-N 0 0 445.544 4.503 50 0 IJAARN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001115247 568924536 /nfs/dbraw/zinc/92/45/36/568924536.db2.gz CFDRDQYPNRWWAQ-FYYLOGMGSA-N 0 0 427.504 4.955 50 0 biogenic IJAARN CC(C)OC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942583 568924632 /nfs/dbraw/zinc/92/46/32/568924632.db2.gz UZBKWSHSMYMAMU-UHFFFAOYSA-N 0 0 433.254 4.678 50 0 biogenic IJAARN COc1ccc(C(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000089438715 568924811 /nfs/dbraw/zinc/92/48/11/568924811.db2.gz YIVAGHIFOYCCMA-VWLOTQADSA-N 0 0 438.487 4.639 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3C[C@H](O)C[C@H]3c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000089455353 568925591 /nfs/dbraw/zinc/92/55/91/568925591.db2.gz KCZKKVOUTFHOJN-APWZRJJASA-N 0 0 448.466 4.786 50 0 IJAARN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000035806835 568926058 /nfs/dbraw/zinc/92/60/58/568926058.db2.gz DKJDPRQDAGPCQW-UHFFFAOYSA-N 0 0 442.475 4.622 50 0 IJAARN COc1cccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2Cc2ccco2)c1 ZINC000089471399 568926616 /nfs/dbraw/zinc/92/66/16/568926616.db2.gz RUPIRDAFRYWQRZ-UHFFFAOYSA-N 0 0 435.465 4.530 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)NCc2ccccc2)C(C)C)o1 ZINC000016651519 568929675 /nfs/dbraw/zinc/92/96/75/568929675.db2.gz HVSRWRJDXUCXMM-UHFFFAOYSA-N 0 0 433.552 4.737 50 0 IJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccco1 ZINC000016653654 568929718 /nfs/dbraw/zinc/92/97/18/568929718.db2.gz UCFKEHKTHVHPFF-INIZCTEOSA-N 0 0 431.485 4.627 50 0 IJAARN COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471923 568929846 /nfs/dbraw/zinc/92/98/46/568929846.db2.gz DOMJVUHDNAMMJM-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)c(Br)c1 ZINC000064471893 568929927 /nfs/dbraw/zinc/92/99/27/568929927.db2.gz BQPSQYZHFXHJQH-UHFFFAOYSA-N 0 0 444.304 4.661 50 0 IJAARN CCc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3cc(OC)c(OC)cc32)c1 ZINC000064474119 568930191 /nfs/dbraw/zinc/93/01/91/568930191.db2.gz HVTQEKUQEBUVJO-UHFFFAOYSA-N 0 0 437.565 4.747 50 0 IJAARN CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(C)C ZINC000006531613 568930755 /nfs/dbraw/zinc/93/07/55/568930755.db2.gz TUSJSGPLFPEMQO-UHFFFAOYSA-N 0 0 426.561 4.870 50 0 IJAARN CCn1c(SCC(=O)NCc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000064565406 568932347 /nfs/dbraw/zinc/93/23/47/568932347.db2.gz PSJRNDFNPNQYMH-UHFFFAOYSA-N 0 0 435.574 4.553 50 0 IJAARN CSc1cccc(NC(=O)N2CCc3c(c(COCc4ccccc4F)nn3C)C2)c1 ZINC000064565813 568932702 /nfs/dbraw/zinc/93/27/02/568932702.db2.gz WUYSWJDXFLQCES-UHFFFAOYSA-N 0 0 440.544 4.588 50 0 IJAARN COc1cccc2c(Nc3cc(Cl)ccc3F)cc(C(=O)N3CCSCC3)nc12 ZINC000064568518 568933677 /nfs/dbraw/zinc/93/36/77/568933677.db2.gz YMWRKNIEUJXHPI-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCCc4ccccc4)c3)ncn2)cc1 ZINC000064578586 568933843 /nfs/dbraw/zinc/93/38/43/568933843.db2.gz MYACXNFRLATHKT-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064593495 568935957 /nfs/dbraw/zinc/93/59/57/568935957.db2.gz VPEVVDJALCKJKX-HXUWFJFHSA-N 0 0 447.564 4.513 50 0 IJAARN COc1ccccc1Oc1c(CN(C(=O)NC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000035980842 568940253 /nfs/dbraw/zinc/94/02/53/568940253.db2.gz HPJMSZKHVJFMFO-UHFFFAOYSA-N 0 0 434.540 4.970 50 0 IJAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1 ZINC000064660157 568942574 /nfs/dbraw/zinc/94/25/74/568942574.db2.gz ZVGNMGRCNVKAOL-UHFFFAOYSA-N 0 0 442.606 4.863 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000064667931 568942865 /nfs/dbraw/zinc/94/28/65/568942865.db2.gz BIVVQFQZLZDAJX-UHFFFAOYSA-N 0 0 425.598 4.728 50 0 IJAARN O=C(NC1CC1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(Cl)c2)n1 ZINC000036063998 568944944 /nfs/dbraw/zinc/94/49/44/568944944.db2.gz FFCUDADISOUIHH-UHFFFAOYSA-N 0 0 448.954 4.946 50 0 IJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065588 568945336 /nfs/dbraw/zinc/94/53/36/568945336.db2.gz XOKMEQOKHQIANC-SFHVURJKSA-N 0 0 439.531 4.799 50 0 IJAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2ccccc2C)c1=O ZINC000064734255 568946741 /nfs/dbraw/zinc/94/67/41/568946741.db2.gz JHRWFIXESRVMRR-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3cccnc3)co2)Cc2ccccc2)c(C)c1 ZINC000036082909 568946779 /nfs/dbraw/zinc/94/67/79/568946779.db2.gz OEZACWOEHSQXDX-UHFFFAOYSA-N 0 0 440.547 4.819 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nnn(Cc2ccc(F)cc2)c1-n1cccc1 ZINC000064744057 568948819 /nfs/dbraw/zinc/94/88/19/568948819.db2.gz CZSJQJPKIUOXFE-UHFFFAOYSA-N 0 0 429.377 4.527 50 0 IJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)n1 ZINC000064747619 568950139 /nfs/dbraw/zinc/95/01/39/568950139.db2.gz TUKONONNILXSQB-MRXNPFEDSA-N 0 0 443.301 4.877 50 0 IJAARN Cc1nc2cc(C(=O)NCc3cccc(C)c3)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748058 568950640 /nfs/dbraw/zinc/95/06/40/568950640.db2.gz VRGZSJPMZKMTJH-UHFFFAOYSA-N 0 0 426.520 4.612 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)C1CCCC1 ZINC000036094325 568951222 /nfs/dbraw/zinc/95/12/22/568951222.db2.gz IDDLHHUMZIKPCM-INIZCTEOSA-N 0 0 432.586 4.540 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1)c1ccccc1 ZINC000064775693 568954697 /nfs/dbraw/zinc/95/46/97/568954697.db2.gz VLWIHDKRLSSGFD-NRFANRHFSA-N 0 0 433.533 4.776 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115712 568955592 /nfs/dbraw/zinc/95/55/92/568955592.db2.gz LKPSTEJJFGXPDW-MGPUTAFESA-N 0 0 434.989 4.553 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(C)=O ZINC000036116117 568955596 /nfs/dbraw/zinc/95/55/96/568955596.db2.gz VIBOKPATQXTRFP-HRAATJIYSA-N 0 0 449.016 4.862 50 0 IJAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036115676 568955617 /nfs/dbraw/zinc/95/56/17/568955617.db2.gz SDBITDUKVVQKNP-HXUWFJFHSA-N 0 0 449.016 4.799 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)C(C)C ZINC000036118785 568956121 /nfs/dbraw/zinc/95/61/21/568956121.db2.gz PBBYAXJPZOCETL-OAQYLSRUSA-N 0 0 442.625 4.764 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036121233 568957911 /nfs/dbraw/zinc/95/79/11/568957911.db2.gz VIHGLHAJRJEVRO-NRFANRHFSA-N 0 0 446.588 4.677 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)C(C)C ZINC000036121926 568957994 /nfs/dbraw/zinc/95/79/94/568957994.db2.gz GEBBAMKGDWGHDK-CTNGQTDRSA-N 0 0 442.625 4.844 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147134 568962425 /nfs/dbraw/zinc/96/24/25/568962425.db2.gz PMUPHGFSKUWINQ-ZEQRLZLVSA-N 0 0 448.538 4.569 50 0 IJAARN CC(C)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036149340 568962759 /nfs/dbraw/zinc/96/27/59/568962759.db2.gz ZGEDRQCFAAGUMJ-UHFFFAOYSA-N 0 0 433.508 4.721 50 0 IJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@H]1CCCO1)C(=O)C(C)(C)C ZINC000006721997 568962958 /nfs/dbraw/zinc/96/29/58/568962958.db2.gz NXYLVMILMNSYPG-HXUWFJFHSA-N 0 0 431.621 4.681 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000006723090 568963386 /nfs/dbraw/zinc/96/33/86/568963386.db2.gz SILGDJOKHPTNNZ-KRWDZBQOSA-N 0 0 428.552 4.720 50 0 IJAARN CC(C)(C)NC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000064815858 568963680 /nfs/dbraw/zinc/96/36/80/568963680.db2.gz FRRJQWBPFWVMSN-JOCHJYFZSA-N 0 0 442.972 4.599 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SC(C)(C)CN2C(=O)c2ccco2)C1=O ZINC000036153023 568963858 /nfs/dbraw/zinc/96/38/58/568963858.db2.gz YNABPCMCPPTFKR-RUZDIDTESA-N 0 0 432.545 4.955 50 0 IJAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000036150822 568963921 /nfs/dbraw/zinc/96/39/21/568963921.db2.gz PWQXOYCFFDCIKZ-UHFFFAOYSA-N 0 0 439.943 4.884 50 0 IJAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817290 568964524 /nfs/dbraw/zinc/96/45/24/568964524.db2.gz NIPLDFZEHUBXKZ-UHFFFAOYSA-N 0 0 448.592 4.887 50 0 IJAARN Cc1ccccc1-c1noc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000064818122 568965075 /nfs/dbraw/zinc/96/50/75/568965075.db2.gz REGUBIBAKKCLEN-UHFFFAOYSA-N 0 0 430.430 4.919 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1C ZINC000064819144 568966052 /nfs/dbraw/zinc/96/60/52/568966052.db2.gz JCNAAQPQBOORJD-UHFFFAOYSA-N 0 0 429.446 4.620 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccccc2)c3=O)c1 ZINC000064819357 568966186 /nfs/dbraw/zinc/96/61/86/568966186.db2.gz WMCVUNNEUPPHJH-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN Cc1ccc(-c2noc(C3CCN(C(=O)Cc4ccccc4Br)CC3)n2)cc1 ZINC000064818192 568966203 /nfs/dbraw/zinc/96/62/03/568966203.db2.gz GIGVTOJKICKEGI-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167174 568967606 /nfs/dbraw/zinc/96/76/06/568967606.db2.gz XDRAQQQAAODFPJ-XMMPIXPASA-N 0 0 442.531 4.738 50 0 IJAARN COc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036164443 568967992 /nfs/dbraw/zinc/96/79/92/568967992.db2.gz HOHOLEWAQJLLET-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN CCC(=O)N1CCS[C@]12c1cc(OC)ccc1N(Cc1ccc(C(C)(C)C)cc1)C2=O ZINC000036166104 568968605 /nfs/dbraw/zinc/96/86/05/568968605.db2.gz UIPYQSVHORFJOA-VWLOTQADSA-N 0 0 438.593 4.678 50 0 IJAARN CN(CCc1noc(COc2ccccc2F)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064840365 568969636 /nfs/dbraw/zinc/96/96/36/568969636.db2.gz SNVGZBIGYVFQDF-UHFFFAOYSA-N 0 0 438.381 4.513 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847806 568971145 /nfs/dbraw/zinc/97/11/45/568971145.db2.gz KCTKTSUXFBLYTN-OAHLLOKOSA-N 0 0 445.947 4.876 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847804 568971181 /nfs/dbraw/zinc/97/11/81/568971181.db2.gz KCTKTSUXFBLYTN-HNNXBMFYSA-N 0 0 445.947 4.876 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1Br)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847650 568971212 /nfs/dbraw/zinc/97/12/12/568971212.db2.gz GFGBRHYJWPBZNS-OAHLLOKOSA-N 0 0 430.346 4.968 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1C ZINC000064848049 568971327 /nfs/dbraw/zinc/97/13/27/568971327.db2.gz SFWDRCFYQJSELA-UHFFFAOYSA-N 0 0 439.556 4.647 50 0 biogenic IJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000064847951 568971363 /nfs/dbraw/zinc/97/13/63/568971363.db2.gz IZTPXDXZOJHZEY-INIZCTEOSA-N 0 0 441.503 4.521 50 0 IJAARN Cc1ccccc1CNC(=O)CC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000064847225 568972171 /nfs/dbraw/zinc/97/21/71/568972171.db2.gz SJMJIHYNBBOIJD-UHFFFAOYSA-N 0 0 444.373 4.708 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3C)c2)on1 ZINC000064866114 568974306 /nfs/dbraw/zinc/97/43/06/568974306.db2.gz JWUSNLNCSKYSAA-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN CCOc1ccc(NC(=O)N2CCc3nc(-c4ccc(OC)c(OC)c4)sc3C2)cc1 ZINC000064868124 568975535 /nfs/dbraw/zinc/97/55/35/568975535.db2.gz URMXJBXCPKYPEG-UHFFFAOYSA-N 0 0 439.537 4.816 50 0 IJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Br)cc2)CC3)cc1 ZINC000064868307 568975549 /nfs/dbraw/zinc/97/55/49/568975549.db2.gz QAMRLZVIWCLKMW-UHFFFAOYSA-N 0 0 449.395 4.628 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000064872449 568978482 /nfs/dbraw/zinc/97/84/82/568978482.db2.gz ISZIZQBOKJZHBO-UHFFFAOYSA-N 0 0 438.934 4.511 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000064888044 568979305 /nfs/dbraw/zinc/97/93/05/568979305.db2.gz QZRRXGWXTAMUPZ-UHFFFAOYSA-N 0 0 433.577 4.915 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3cccc(C)c3)c2C(C)C)C1 ZINC000006771032 568981919 /nfs/dbraw/zinc/98/19/19/568981919.db2.gz WKEBJWGWUIYNGH-IBGZPJMESA-N 0 0 425.573 4.843 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(F)cc3)c2C(C)C)C1 ZINC000006770915 568981928 /nfs/dbraw/zinc/98/19/28/568981928.db2.gz PLSHKPPTKBINPM-KRWDZBQOSA-N 0 0 429.536 4.674 50 0 IJAARN COc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246972 568982129 /nfs/dbraw/zinc/98/21/29/568982129.db2.gz MYXVCVPKQNXCEU-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@H](C)c2ccc(F)cc2)c1 ZINC000036248557 568983417 /nfs/dbraw/zinc/98/34/17/568983417.db2.gz XBAITYFRJJXZEG-OAHLLOKOSA-N 0 0 429.469 4.520 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930517 568988897 /nfs/dbraw/zinc/98/88/97/568988897.db2.gz XCWGVIIUAUAJLZ-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN CSc1cccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c1 ZINC000064944181 568993258 /nfs/dbraw/zinc/99/32/58/568993258.db2.gz ZBLZDDJHIDINGT-UHFFFAOYSA-N 0 0 445.639 4.919 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c(C)c1 ZINC000064944402 568993378 /nfs/dbraw/zinc/99/33/78/568993378.db2.gz BBWAWNGMJFCCSM-CYBMUJFWSA-N 0 0 441.626 4.979 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)CC)C[C@H]1CCCO1 ZINC000036303002 568993579 /nfs/dbraw/zinc/99/35/79/568993579.db2.gz HTBIWVINXKINFT-ISKFKSNPSA-N 0 0 449.595 4.979 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1ccc(NCc2ccc3c(c2)OCO3)nn1 ZINC000064945287 568993586 /nfs/dbraw/zinc/99/35/86/568993586.db2.gz LPENSPIZHUMTLJ-UHFFFAOYSA-N 0 0 442.928 4.510 50 0 IJAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312457 568997834 /nfs/dbraw/zinc/99/78/34/568997834.db2.gz CKQYJYFXWFSQAW-IBGZPJMESA-N 0 0 437.565 4.825 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC(C)C)C(=O)C2CCCC2)c1 ZINC000036314143 568998949 /nfs/dbraw/zinc/99/89/49/568998949.db2.gz UZFFFIPMSYKZGF-UHFFFAOYSA-N 0 0 425.573 4.661 50 0 IJAARN COc1cccc(Cn2nnc3cc(C(=O)Nc4cc(C)c(Cl)cc4OC)ccc32)c1 ZINC000064956822 568999271 /nfs/dbraw/zinc/99/92/71/568999271.db2.gz UKDUFZDSZYDVCD-UHFFFAOYSA-N 0 0 436.899 4.711 50 0 IJAARN O=C(NCc1ccc(F)cc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957117 568999425 /nfs/dbraw/zinc/99/94/25/568999425.db2.gz FVHWNGUGVZNHPX-UHFFFAOYSA-N 0 0 444.510 4.661 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(NCc2ccc(OC)cc2)n1 ZINC000064960359 569000146 /nfs/dbraw/zinc/00/01/46/569000146.db2.gz FTSFRXBSBFGKSG-UHFFFAOYSA-N 0 0 438.871 4.736 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C ZINC000064960756 569000365 /nfs/dbraw/zinc/00/03/65/569000365.db2.gz LIGDEGZGTOLISB-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)c(OCC)c2)c1 ZINC000006811494 569000743 /nfs/dbraw/zinc/00/07/43/569000743.db2.gz XMJLETJUTXXVRD-UHFFFAOYSA-N 0 0 425.485 4.965 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cc(F)ccc2C)c1C ZINC000064967575 569001415 /nfs/dbraw/zinc/00/14/15/569001415.db2.gz FQTKWUVVZHQMHK-UHFFFAOYSA-N 0 0 439.878 4.951 50 0 IJAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)c(C)o2)cc1 ZINC000064977409 569077061 /nfs/dbraw/zinc/07/70/61/569077061.db2.gz TZPQBYHJUHXYDN-UHFFFAOYSA-N 0 0 446.894 4.837 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036345430 569080705 /nfs/dbraw/zinc/08/07/05/569080705.db2.gz HGWBVYMDFOIOFT-AREMUKBSSA-N 0 0 427.523 4.870 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(Oc3ccccc3C)cc1O2 ZINC000064986855 569082460 /nfs/dbraw/zinc/08/24/60/569082460.db2.gz XCZIDPRDTZDDNZ-UHFFFAOYSA-N 0 0 438.505 4.704 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)C2=O)cc1 ZINC000064988828 569082900 /nfs/dbraw/zinc/08/29/00/569082900.db2.gz GKAMDFMCGZQNHG-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN CSc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccc(C)cc4)C3=O)CC2)c1 ZINC000064988888 569082913 /nfs/dbraw/zinc/08/29/13/569082913.db2.gz BXJBDABJACLEHP-UHFFFAOYSA-N 0 0 438.597 4.651 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000064988820 569082956 /nfs/dbraw/zinc/08/29/56/569082956.db2.gz DDQGHJOKWOEJQW-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc21 ZINC000064990040 569083146 /nfs/dbraw/zinc/08/31/46/569083146.db2.gz YXHLHFRLNMKFDR-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990494 569083375 /nfs/dbraw/zinc/08/33/75/569083375.db2.gz YLCKYQAXJMGSQM-KRWDZBQOSA-N 0 0 427.504 4.802 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(SC)c4)cc32)cc1 ZINC000064990795 569083465 /nfs/dbraw/zinc/08/34/65/569083465.db2.gz NPGWOZPTBBBQPD-UHFFFAOYSA-N 0 0 447.560 4.942 50 0 IJAARN Cc1cccc(N(C)C(=O)c2c3c(cn(-c4ccc(F)cc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000151 569085811 /nfs/dbraw/zinc/08/58/11/569085811.db2.gz CTFIHYDCVWLXIV-UHFFFAOYSA-N 0 0 432.495 4.717 50 0 IJAARN CCOc1ccc(NC(=O)c2c3c(cn(-c4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000365 569085882 /nfs/dbraw/zinc/08/58/82/569085882.db2.gz VLEHJMJIJIHSKW-UHFFFAOYSA-N 0 0 444.531 4.952 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000064999605 569086158 /nfs/dbraw/zinc/08/61/58/569086158.db2.gz WUPHBQVCFOYJSB-UHFFFAOYSA-N 0 0 426.563 4.842 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)cc1 ZINC000064999546 569086161 /nfs/dbraw/zinc/08/61/61/569086161.db2.gz DEKJQHWVWJSION-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN O=C(Nc1cccc(F)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999772 569086297 /nfs/dbraw/zinc/08/62/97/569086297.db2.gz MLJNIRNFTILKGC-UHFFFAOYSA-N 0 0 430.526 4.591 50 0 IJAARN Cc1c(S(=O)(=O)NCc2cccs2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000065008704 569087793 /nfs/dbraw/zinc/08/77/93/569087793.db2.gz YILZHLAHJCIALL-UHFFFAOYSA-N 0 0 429.592 4.664 50 0 IJAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000065010025 569088174 /nfs/dbraw/zinc/08/81/74/569088174.db2.gz GGIBIVLJFGNGDS-UHFFFAOYSA-N 0 0 430.508 4.679 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023693 569089332 /nfs/dbraw/zinc/08/93/32/569089332.db2.gz GFXNPKGWBWLOFU-KRWDZBQOSA-N 0 0 437.341 4.761 50 0 IJAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccc(Br)c4)cc3)ccc21 ZINC000065027014 569090146 /nfs/dbraw/zinc/09/01/46/569090146.db2.gz OOKITWLNFLQLDZ-UHFFFAOYSA-N 0 0 449.348 4.955 50 0 IJAARN CCOc1ccccc1CNC(=O)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065025031 569090225 /nfs/dbraw/zinc/09/02/25/569090225.db2.gz IQDUOKCIARZOQM-UHFFFAOYSA-N 0 0 430.508 4.695 50 0 IJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)NCc1cccc(Br)c1 ZINC000065031505 569091517 /nfs/dbraw/zinc/09/15/17/569091517.db2.gz AJIHLKIOHFPYMK-UHFFFAOYSA-N 0 0 448.320 4.755 50 0 IJAARN CC(C)N(C(=O)Cn1cc(SCC(=O)NC2CCCCC2)c2ccccc21)C(C)C ZINC000006867548 569092970 /nfs/dbraw/zinc/09/29/70/569092970.db2.gz FGLPBYPBPFRUAU-UHFFFAOYSA-N 0 0 429.630 4.828 50 0 IJAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(C(F)(F)F)cc4)C3)n[nH]2)cc1 ZINC000169753948 569093706 /nfs/dbraw/zinc/09/37/06/569093706.db2.gz GZAQPAJGFGVQCD-SFHVURJKSA-N 0 0 444.457 4.503 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065058706 569095592 /nfs/dbraw/zinc/09/55/92/569095592.db2.gz AIIPOSWFCIIDLI-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C)cs2)cc1OC ZINC000036392931 569098253 /nfs/dbraw/zinc/09/82/53/569098253.db2.gz REBWYVDSIUAJBU-UHFFFAOYSA-N 0 0 444.607 4.900 50 0 IJAARN CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000006882081 569098610 /nfs/dbraw/zinc/09/86/10/569098610.db2.gz KUJGHFUFLVQBMC-UHFFFAOYSA-N 0 0 427.566 4.641 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000065074964 569099262 /nfs/dbraw/zinc/09/92/62/569099262.db2.gz GZGDYNXXKOVFHY-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)c1 ZINC000065074965 569099264 /nfs/dbraw/zinc/09/92/64/569099264.db2.gz GZGDYNXXKOVFHY-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN CSc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000065074928 569099338 /nfs/dbraw/zinc/09/93/38/569099338.db2.gz PQPCGSQQCRJFCN-SANMLTNESA-N 0 0 430.573 4.995 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1cccc(SC)c1 ZINC000065075135 569099543 /nfs/dbraw/zinc/09/95/43/569099543.db2.gz GMTHPZKEOSCHKR-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(OC)c(OC)c3)cn12 ZINC000065079536 569100989 /nfs/dbraw/zinc/10/09/89/569100989.db2.gz JYRHGJPPQYSQRD-UHFFFAOYSA-N 0 0 437.521 4.660 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)c1 ZINC000036397649 569101071 /nfs/dbraw/zinc/10/10/71/569101071.db2.gz NJSCGPYRQZMYNS-UHFFFAOYSA-N 0 0 426.542 4.909 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)C2)o1 ZINC000065080941 569101244 /nfs/dbraw/zinc/10/12/44/569101244.db2.gz ZQQXXGKRVJPSAZ-GOSISDBHSA-N 0 0 449.580 4.533 50 0 IJAARN O=C(NCCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000169773990 569102097 /nfs/dbraw/zinc/10/20/97/569102097.db2.gz KOQUBVALNALRII-VWLOTQADSA-N 0 0 439.559 4.887 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C2)cc1 ZINC000065082804 569102527 /nfs/dbraw/zinc/10/25/27/569102527.db2.gz XXMPJBARHZSLJS-FQEVSTJZSA-N 0 0 434.923 4.768 50 0 IJAARN Cc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)C[C@@H]2C)c1 ZINC000065097908 569104126 /nfs/dbraw/zinc/10/41/26/569104126.db2.gz LWOOJNJCPKCOJP-SFHVURJKSA-N 0 0 429.499 4.961 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc(-c4cccc(-c5csc(C)n5)c4)no3)CC2=O)cc1 ZINC000065098182 569104723 /nfs/dbraw/zinc/10/47/23/569104723.db2.gz PTOOCWRZIIGTDN-KRWDZBQOSA-N 0 0 432.505 4.698 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c(OC)c1 ZINC000006902026 569105660 /nfs/dbraw/zinc/10/56/60/569105660.db2.gz JFMAUDVTPNIJRS-UHFFFAOYSA-N 0 0 425.554 4.908 50 0 IJAARN CCOc1ccccc1C(=O)N1CCC(c2nc(-c3cccc(NC(=O)CC)c3)no2)CC1 ZINC000065111448 569106466 /nfs/dbraw/zinc/10/64/66/569106466.db2.gz RAOZBCNNVNZJGF-UHFFFAOYSA-N 0 0 448.523 4.504 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000065116275 569107293 /nfs/dbraw/zinc/10/72/93/569107293.db2.gz MBKNIZCDOIQCOQ-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000065116256 569107311 /nfs/dbraw/zinc/10/73/11/569107311.db2.gz CFWNVMJWXJHNBK-UHFFFAOYSA-N 0 0 433.917 4.625 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1 ZINC000065116276 569107313 /nfs/dbraw/zinc/10/73/13/569107313.db2.gz QYJNRXDALSIZRK-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1 ZINC000065112268 569108035 /nfs/dbraw/zinc/10/80/35/569108035.db2.gz ZACDJGKUSRVXMH-UHFFFAOYSA-N 0 0 425.554 4.566 50 0 IJAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(C)=O)cc3)c2c1=O ZINC000065113482 569108444 /nfs/dbraw/zinc/10/84/44/569108444.db2.gz DRFVWYSAKQDWAG-UHFFFAOYSA-N 0 0 442.519 4.506 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ncccc2-c2nnc(C(C)C)o2)CC1 ZINC000065118074 569108883 /nfs/dbraw/zinc/10/88/83/569108883.db2.gz RPMICNXEALLZPW-UHFFFAOYSA-N 0 0 440.935 4.571 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000065136286 569110297 /nfs/dbraw/zinc/11/02/97/569110297.db2.gz PQNFCWNWMGOHIF-HSZRJFAPSA-N 0 0 448.611 4.676 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCC[C@@H](c2ccnc(Nc3ccccc3F)n2)C1 ZINC000065148500 569110813 /nfs/dbraw/zinc/11/08/13/569110813.db2.gz YEVFHCMDTUTGJC-CYBMUJFWSA-N 0 0 445.292 4.735 50 0 IJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(Br)cc1)CC2 ZINC000065148877 569110878 /nfs/dbraw/zinc/11/08/78/569110878.db2.gz YLYBKOFVPFSQBE-UHFFFAOYSA-N 0 0 428.330 4.640 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4sccc4[C@@H]3C)[C@H](c3ccco3)C2)cc1 ZINC000036450919 569111280 /nfs/dbraw/zinc/11/12/80/569111280.db2.gz XINSPSHBJVEYQQ-KKSFZXQISA-N 0 0 435.549 4.647 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4sccc4[C@H]3C)[C@H](c3ccco3)C2)cc1 ZINC000036450917 569111296 /nfs/dbraw/zinc/11/12/96/569111296.db2.gz XINSPSHBJVEYQQ-IERDGZPVSA-N 0 0 435.549 4.647 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCc3nc(-c4ccc(F)cc4)ncc3C2)cc1Cl ZINC000065168918 569112641 /nfs/dbraw/zinc/11/26/41/569112641.db2.gz OUAVNZNJKATGFY-UHFFFAOYSA-N 0 0 442.878 4.544 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2cccc(-c3nc4cccnc4n3CC(C)C)c2)cc1 ZINC000065172747 569113252 /nfs/dbraw/zinc/11/32/52/569113252.db2.gz UBWYFHKMZVDFRU-UHFFFAOYSA-N 0 0 427.508 4.965 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)N1CCCC1 ZINC000065179811 569113634 /nfs/dbraw/zinc/11/36/34/569113634.db2.gz VMNZXKNUXSKUOF-UHFFFAOYSA-N 0 0 426.944 4.507 50 0 IJAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)NCc4ccc(F)cc4)c3)n2)cc1 ZINC000065185624 569113765 /nfs/dbraw/zinc/11/37/65/569113765.db2.gz RGLKWFJVHACMJM-UHFFFAOYSA-N 0 0 434.496 4.655 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(-c3nc(C4CC4)no3)cn2)c(Br)c1 ZINC000065185790 569114630 /nfs/dbraw/zinc/11/46/30/569114630.db2.gz VIRJTPWBMNKVST-UHFFFAOYSA-N 0 0 445.342 4.811 50 0 IJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4ccco4)o3)c2C)cc1Cl ZINC000065194911 569114785 /nfs/dbraw/zinc/11/47/85/569114785.db2.gz XZCRLFNKNFGKOA-UHFFFAOYSA-N 0 0 426.860 4.716 50 0 IJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)cc1F ZINC000065194854 569114821 /nfs/dbraw/zinc/11/48/21/569114821.db2.gz GLCAZKJNAMUWPM-UHFFFAOYSA-N 0 0 426.473 4.670 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209255 569116116 /nfs/dbraw/zinc/11/61/16/569116116.db2.gz VXZIOLILOZTKQY-NRFANRHFSA-N 0 0 438.959 4.746 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209866 569116569 /nfs/dbraw/zinc/11/65/69/569116569.db2.gz GVJIOBABWIGNJD-UHFFFAOYSA-N 0 0 425.492 4.696 50 0 IJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000065218908 569117404 /nfs/dbraw/zinc/11/74/04/569117404.db2.gz HJCMHEYUVVGIIK-UHFFFAOYSA-N 0 0 435.505 4.972 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000065228432 569117613 /nfs/dbraw/zinc/11/76/13/569117613.db2.gz KFHRHGSWFQRHBG-KRWDZBQOSA-N 0 0 426.398 4.797 50 0 IJAARN O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1ccccc1 ZINC000007017413 569118463 /nfs/dbraw/zinc/11/84/63/569118463.db2.gz QNWULPADUFTVIW-SILNSSARSA-N 0 0 427.342 4.623 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(-c4ccno4)c3)c3cnn(C)c3n2)cc1 ZINC000036616955 569122969 /nfs/dbraw/zinc/12/29/69/569122969.db2.gz AOSCXKGPQYQOEL-UHFFFAOYSA-N 0 0 425.448 4.551 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(-c3nnc(SCc4ccccn4)n3C)c12 ZINC000036612067 569123621 /nfs/dbraw/zinc/12/36/21/569123621.db2.gz RTABCLXOERLSOL-UHFFFAOYSA-N 0 0 427.537 4.520 50 0 IJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000013120851 569125087 /nfs/dbraw/zinc/12/50/87/569125087.db2.gz VDMBAJMWAOIQCL-UHFFFAOYSA-N 0 0 438.535 4.987 50 0 IJAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000013134057 569125530 /nfs/dbraw/zinc/12/55/30/569125530.db2.gz VUWYPLOHNSWKOZ-UHFFFAOYSA-N 0 0 427.507 4.792 50 0 IJAARN CC(C)n1cc2c(n1)n(CCC(=O)Nc1ccc(F)c(Cl)c1)c(=O)cc2C(F)F ZINC000036621381 569126067 /nfs/dbraw/zinc/12/60/67/569126067.db2.gz XPNFLAQRXCDASH-UHFFFAOYSA-N 0 0 426.826 4.538 50 0 IJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1ccc(C(F)(F)F)s1 ZINC000065272391 569128974 /nfs/dbraw/zinc/12/89/74/569128974.db2.gz DRAWTCRWVZKJQJ-UHFFFAOYSA-N 0 0 446.454 4.856 50 0 IJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1ccc(C(F)(F)F)s1 ZINC000065272344 569129003 /nfs/dbraw/zinc/12/90/03/569129003.db2.gz LSQVVKJSXYLNNA-UHFFFAOYSA-N 0 0 432.427 4.861 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(F)c(Cl)c1)N2 ZINC000065298624 569132120 /nfs/dbraw/zinc/13/21/20/569132120.db2.gz LHWUDZUQOONMAK-LJQANCHMSA-N 0 0 445.922 4.657 50 0 biogenic IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065299619 569132124 /nfs/dbraw/zinc/13/21/24/569132124.db2.gz PTBAJJGMTMDADG-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCC3)C2)cc1 ZINC000065315493 569134122 /nfs/dbraw/zinc/13/41/22/569134122.db2.gz QJCJDJRILANXDJ-GOSISDBHSA-N 0 0 449.555 4.633 50 0 IJAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036702529 569135543 /nfs/dbraw/zinc/13/55/43/569135543.db2.gz AZBVIBCEJQXSDJ-IOFSEFHDSA-N 0 0 448.529 4.572 50 0 IJAARN CCN1c2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2-c2ccccc2S1(=O)=O ZINC000065315062 569135674 /nfs/dbraw/zinc/13/56/74/569135674.db2.gz PXCMIQGBCRSQTB-UHFFFAOYSA-N 0 0 442.924 4.797 50 0 IJAARN CCN1c2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2-c2ccccc2S1(=O)=O ZINC000065315078 569135684 /nfs/dbraw/zinc/13/56/84/569135684.db2.gz VLAFOJCEVJXBRV-UHFFFAOYSA-N 0 0 436.533 4.922 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)c1C ZINC000065320733 569136248 /nfs/dbraw/zinc/13/62/48/569136248.db2.gz ZMBFFQCSEABYQQ-LJQANCHMSA-N 0 0 429.517 4.635 50 0 IJAARN O=C(OCc1csc(-c2ccco2)n1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC000037143126 569140424 /nfs/dbraw/zinc/14/04/24/569140424.db2.gz KOPOVZXHXCKASR-UHFFFAOYSA-N 0 0 448.287 4.613 50 0 IJAARN O=C(NCc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000170610169 569145034 /nfs/dbraw/zinc/14/50/34/569145034.db2.gz IQMMIOVPGUCGTF-UHFFFAOYSA-N 0 0 440.381 4.627 50 0 IJAARN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CCC(C)CC2)CC1)c1ccccc1 ZINC000037277100 569145367 /nfs/dbraw/zinc/14/53/67/569145367.db2.gz PPCSUPUBXYDYGW-DEOSSOPVSA-N 0 0 447.623 4.838 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2cccc(OC)c2)cc1 ZINC000037278629 569145482 /nfs/dbraw/zinc/14/54/82/569145482.db2.gz FFVVMOPRZJXVFN-UHFFFAOYSA-N 0 0 437.540 4.790 50 0 IJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000037279362 569145584 /nfs/dbraw/zinc/14/55/84/569145584.db2.gz JRHUALFSIQZROO-UHFFFAOYSA-N 0 0 446.522 4.846 50 0 IJAARN Cc1ccc(C(=O)N(C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)C2CCCC2)cc1 ZINC000037282361 569145830 /nfs/dbraw/zinc/14/58/30/569145830.db2.gz SKEADFYSPUVWOI-QHCPKHFHSA-N 0 0 440.971 4.574 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)CC1 ZINC000037285005 569145913 /nfs/dbraw/zinc/14/59/13/569145913.db2.gz LDAGKXUJGXNHLW-UHFFFAOYSA-N 0 0 447.539 4.502 50 0 IJAARN COCCN(CCC(=O)Nc1ccc(F)cc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037285138 569145934 /nfs/dbraw/zinc/14/59/34/569145934.db2.gz AVMXETPNPYRKFU-UHFFFAOYSA-N 0 0 434.471 4.511 50 0 IJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281124 569146001 /nfs/dbraw/zinc/14/60/01/569146001.db2.gz COWSRJMEHSCBIX-FTJBHMTQSA-N 0 0 448.607 4.953 50 0 IJAARN CCN(C)C(=O)COc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000037281866 569146146 /nfs/dbraw/zinc/14/61/46/569146146.db2.gz CIXCNPZHPPXYTB-MHZLTWQESA-N 0 0 442.559 4.640 50 0 IJAARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)N[C@H]1c1csc(C2CC2)n1 ZINC000170623366 569148277 /nfs/dbraw/zinc/14/82/77/569148277.db2.gz WIYGKMMCCPKNDO-INIZCTEOSA-N 0 0 448.342 4.501 50 0 IJAARN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000170629127 569148852 /nfs/dbraw/zinc/14/88/52/569148852.db2.gz YDNCIVMAPTWPIY-SJORKVTESA-N 0 0 430.474 4.956 50 0 IJAARN CCCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000007570655 569148901 /nfs/dbraw/zinc/14/89/01/569148901.db2.gz AZEAHNUCSWMMSX-UHFFFAOYSA-N 0 0 425.532 4.887 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3cc4ccccc4oc3=O)cs2)cc1OC ZINC000009884166 569150358 /nfs/dbraw/zinc/15/03/58/569150358.db2.gz KKQBCXQULLGFRN-UHFFFAOYSA-N 0 0 437.473 4.681 50 0 IJAARN O=C(CSc1nnc(Nc2ccc(F)cc2)s1)c1cccc(N2CCCC2=O)c1 ZINC000010028665 569151783 /nfs/dbraw/zinc/15/17/83/569151783.db2.gz ZMFFGGCRSMOSCN-UHFFFAOYSA-N 0 0 428.514 4.523 50 0 IJAARN CCOc1cccc2sc(NC(=O)CCCS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000010219049 569153595 /nfs/dbraw/zinc/15/35/95/569153595.db2.gz AMKXPDBIPNZULN-UHFFFAOYSA-N 0 0 438.958 4.541 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000010218899 569153631 /nfs/dbraw/zinc/15/36/31/569153631.db2.gz LGEXPOKOLKFPNQ-UHFFFAOYSA-N 0 0 444.962 4.857 50 0 IJAARN O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000010255571 569154063 /nfs/dbraw/zinc/15/40/63/569154063.db2.gz MGFHRRNLMZHRDC-OAHLLOKOSA-N 0 0 425.381 4.900 50 0 IJAARN O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000010255587 569154073 /nfs/dbraw/zinc/15/40/73/569154073.db2.gz YHJCZPMXJHANOU-CQSZACIVSA-N 0 0 425.381 4.900 50 0 IJAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000013322547 569154980 /nfs/dbraw/zinc/15/49/80/569154980.db2.gz WETYXUACUBQISL-SSDOTTSWSA-N 0 0 432.414 4.700 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccncc3)nc3ccccc31)CCCC2 ZINC000013322535 569154985 /nfs/dbraw/zinc/15/49/85/569154985.db2.gz FKXHLBDAQPKEIR-UHFFFAOYSA-N 0 0 428.517 4.588 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccn3)nc3ccccc31)CCCC2 ZINC000013321319 569155065 /nfs/dbraw/zinc/15/50/65/569155065.db2.gz JERXGGGTEGJFOM-UHFFFAOYSA-N 0 0 428.517 4.588 50 0 IJAARN C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000013522818 569155557 /nfs/dbraw/zinc/15/55/57/569155557.db2.gz INNGBKVQZUHADZ-ZWKOTPCHSA-N 0 0 425.488 4.720 50 0 IJAARN Cc1sc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000013574943 569155741 /nfs/dbraw/zinc/15/57/41/569155741.db2.gz HTTSNJRRYWDZDX-UHFFFAOYSA-N 0 0 442.924 4.917 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578802 569156001 /nfs/dbraw/zinc/15/60/01/569156001.db2.gz NRBZHTTXCTVXDG-INIZCTEOSA-N 0 0 429.427 4.844 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000013578962 569156035 /nfs/dbraw/zinc/15/60/35/569156035.db2.gz FUGKKGZENJXXHW-KRWDZBQOSA-N 0 0 433.533 4.988 50 0 IJAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000014185964 569158033 /nfs/dbraw/zinc/15/80/33/569158033.db2.gz HKMVBGJVADRQHC-UHFFFAOYSA-N 0 0 426.542 4.648 50 0 IJAARN Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)ncn2)cc1 ZINC000037342138 569159555 /nfs/dbraw/zinc/15/95/55/569159555.db2.gz NGQTYEHPXWZJKM-UHFFFAOYSA-N 0 0 443.334 4.847 50 0 IJAARN Cc1cc(C)n2nc(C(=O)Nc3nc(-c4cccs4)c(-c4cccs4)s3)nc2n1 ZINC000014625097 569159570 /nfs/dbraw/zinc/15/95/70/569159570.db2.gz UAEKWKKEIUKCLR-UHFFFAOYSA-N 0 0 438.563 4.907 50 0 IJAARN CC(C)(C)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 ZINC000089643084 569160384 /nfs/dbraw/zinc/16/03/84/569160384.db2.gz JGUSTRTTZPLRMI-UHFFFAOYSA-N 0 0 439.562 4.714 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c(C)c1 ZINC000016840367 569163145 /nfs/dbraw/zinc/16/31/45/569163145.db2.gz IFIWLIFYUYXPQL-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000016841089 569163234 /nfs/dbraw/zinc/16/32/34/569163234.db2.gz RPBJMYGGRBZOMW-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN COc1cccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccc3)no2)c1 ZINC000016842997 569163603 /nfs/dbraw/zinc/16/36/03/569163603.db2.gz JSKCYPGQJTVSOV-UHFFFAOYSA-N 0 0 448.529 4.798 50 0 IJAARN CC(C)Oc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000089888010 569166682 /nfs/dbraw/zinc/16/66/82/569166682.db2.gz CNDBESWQHAEQPC-UHFFFAOYSA-N 0 0 425.506 4.518 50 0 IJAARN COc1ccc2cc([C@@H]3CC(c4ccc(OC)cc4OC)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089930402 569167971 /nfs/dbraw/zinc/16/79/71/569167971.db2.gz ACSKMDQDMHLZRF-NRFANRHFSA-N 0 0 439.899 4.612 50 0 IJAARN COc1ccc(C2(CNC(=O)c3c(C)onc3-c3ccccc3Cl)CCOCC2)cc1 ZINC000016969091 569168520 /nfs/dbraw/zinc/16/85/20/569168520.db2.gz IZRJAJWAPXHDCI-UHFFFAOYSA-N 0 0 440.927 4.790 50 0 IJAARN Cc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000016992283 569169581 /nfs/dbraw/zinc/16/95/81/569169581.db2.gz FDFBVYDFGSMFIS-UHFFFAOYSA-N 0 0 435.574 4.702 50 0 IJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@@H]1C ZINC000037355872 569171182 /nfs/dbraw/zinc/17/11/82/569171182.db2.gz KWSLPPRAESBRRW-IBGZPJMESA-N 0 0 426.561 4.593 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000017051841 569171910 /nfs/dbraw/zinc/17/19/10/569171910.db2.gz JTHNSXQOZTUCJE-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1C ZINC000017053182 569171968 /nfs/dbraw/zinc/17/19/68/569171968.db2.gz OKKFGBXHECWJDN-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)C[C@@H]2C)cc1 ZINC000037357319 569173151 /nfs/dbraw/zinc/17/31/51/569173151.db2.gz WTBNDQBRYXQEER-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000017121129 569174240 /nfs/dbraw/zinc/17/42/40/569174240.db2.gz UQOQCDRDOZDUHI-UHFFFAOYSA-N 0 0 439.878 4.951 50 0 IJAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000017135510 569174355 /nfs/dbraw/zinc/17/43/55/569174355.db2.gz BHPQJLPBKXCRLY-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000017156743 569175023 /nfs/dbraw/zinc/17/50/23/569175023.db2.gz KEACSEZFEZFBAS-UHFFFAOYSA-N 0 0 427.334 4.529 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(Br)cc1 ZINC000017169618 569175242 /nfs/dbraw/zinc/17/52/42/569175242.db2.gz XFIKAKQKSURXNP-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000017170892 569175529 /nfs/dbraw/zinc/17/55/29/569175529.db2.gz YKIDJXWWPFBMMP-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN COc1cccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc4c(C)cc(=O)oc4c3)n2)c1 ZINC000000935585 569176303 /nfs/dbraw/zinc/17/63/03/569176303.db2.gz DJCYKUDEIDGMCB-CQSZACIVSA-N 0 0 436.489 4.640 50 0 IJAARN O=C(c1ccccc1)[C@]12c3ccccc3N(c3ccccc3)[C@]1(c1ccccc1)NC(=O)C2=O ZINC000002077897 569177097 /nfs/dbraw/zinc/17/70/97/569177097.db2.gz IQRAQHOHYXVUSC-VMPREFPWSA-N 0 0 444.490 4.511 50 0 IJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002091833 569178664 /nfs/dbraw/zinc/17/86/64/569178664.db2.gz ZUIKATCYWPUHEE-HXUWFJFHSA-N 0 0 437.492 4.890 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CCC)NC(=O)OCc3ccccc3)ccc12 ZINC000002094141 569179062 /nfs/dbraw/zinc/17/90/62/569179062.db2.gz NWCRLYNIIHXQJX-NRFANRHFSA-N 0 0 437.492 4.746 50 0 biogenic IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002095906 569179308 /nfs/dbraw/zinc/17/93/08/569179308.db2.gz BSNCZPVZRHAGLL-IBGZPJMESA-N 0 0 437.492 4.719 50 0 biogenic IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002098485 569179431 /nfs/dbraw/zinc/17/94/31/569179431.db2.gz GWHMHHGEEABDRO-DHLKQENFSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000252444180 569183789 /nfs/dbraw/zinc/18/37/89/569183789.db2.gz KLSICHWMMQUAAB-CPJSRVTESA-N 0 0 448.592 4.884 50 0 IJAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)c1 ZINC000208006475 569184631 /nfs/dbraw/zinc/18/46/31/569184631.db2.gz LYOZPYSCUWPMEA-UHFFFAOYSA-N 0 0 438.534 4.758 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 ZINC000208006061 569184676 /nfs/dbraw/zinc/18/46/76/569184676.db2.gz ZQIMJAKUUVARRI-UHFFFAOYSA-N 0 0 438.534 4.758 50 0 IJAARN C[S@](=O)Cc1cccc(C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)c1 ZINC000252467611 569184733 /nfs/dbraw/zinc/18/47/33/569184733.db2.gz VNGJAPKXPVWBBB-MHZLTWQESA-N 0 0 439.389 4.524 50 0 IJAARN COc1ccc(-c2cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3oc2=O)cc1 ZINC000002138121 569185181 /nfs/dbraw/zinc/18/51/81/569185181.db2.gz SVEZJSOVONERJH-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN COc1cc(OC)c(Nc2ncncc2-c2nc(-c3ccccc3F)no2)cc1Cl ZINC000252485342 569186606 /nfs/dbraw/zinc/18/66/06/569186606.db2.gz GRTHEIYVLQDDCJ-UHFFFAOYSA-N 0 0 427.823 4.747 50 0 IJAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002148648 569187085 /nfs/dbraw/zinc/18/70/85/569187085.db2.gz UBBRPPDJWFTXEH-QHCPKHFHSA-N 0 0 449.503 4.528 50 0 biogenic IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccn2)cc1 ZINC000002194884 569191317 /nfs/dbraw/zinc/19/13/17/569191317.db2.gz GYUCTJJAHXEEBW-UHFFFAOYSA-N 0 0 449.511 4.516 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000037383842 569191949 /nfs/dbraw/zinc/19/19/49/569191949.db2.gz RUVTVSUVULLLNB-UHFFFAOYSA-N 0 0 438.531 4.576 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N(CCC(=O)NC3CC3)Cc3ccco3)n2)cc1 ZINC000037384269 569192147 /nfs/dbraw/zinc/19/21/47/569192147.db2.gz CVGWSIZJKKJLSG-UHFFFAOYSA-N 0 0 442.519 4.574 50 0 IJAARN Cc1ccccc1-n1c(SCc2ccc(C(=O)NC3CC3)cc2)nnc1-c1ccncc1 ZINC000037398198 569193835 /nfs/dbraw/zinc/19/38/35/569193835.db2.gz BEORQMDAZUNDGA-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C)c1 ZINC000037398917 569194177 /nfs/dbraw/zinc/19/41/77/569194177.db2.gz NQMSDEKLGYAYQC-UHFFFAOYSA-N 0 0 442.607 4.910 50 0 IJAARN COCC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440900 569196743 /nfs/dbraw/zinc/19/67/43/569196743.db2.gz LUJBEFFFVVCOHX-MRXNPFEDSA-N 0 0 441.742 4.815 50 0 IJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Br)cc1 ZINC000037522784 569198350 /nfs/dbraw/zinc/19/83/50/569198350.db2.gz RHBVTSHARFXHTB-QGZVFWFLSA-N 0 0 449.348 4.994 50 0 IJAARN Cc1cccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3scc(Br)c32)c1 ZINC000037543618 569199586 /nfs/dbraw/zinc/19/95/86/569199586.db2.gz MQYWIRJGXRKEII-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1cccc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N(C(=O)NCc3ccccc3)C2)c1 ZINC000037546504 569200058 /nfs/dbraw/zinc/20/00/58/569200058.db2.gz MBSMXRZHLJHIHX-IZZNHLLZSA-N 0 0 441.575 4.974 50 0 IJAARN O=C(/C=C/c1ccccc1)N(Cc1cccc(F)c1)c1ccc(CC(=O)NC2CC2)cc1 ZINC000037556820 569200637 /nfs/dbraw/zinc/20/06/37/569200637.db2.gz YSHFFOHJRBAZDM-LFIBNONCSA-N 0 0 428.507 4.893 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)/C=C/c1ccccc1 ZINC000037623629 569203301 /nfs/dbraw/zinc/20/33/01/569203301.db2.gz DZQBUADOGQVEIU-DOJUMQAQSA-N 0 0 434.927 4.673 50 0 IJAARN COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000066091736 569205843 /nfs/dbraw/zinc/20/58/43/569205843.db2.gz HFUODYSENTUUDB-VQTJNVASSA-N 0 0 433.487 4.560 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002234931 569211937 /nfs/dbraw/zinc/21/19/37/569211937.db2.gz AXMJAGCSBASFPQ-OAQYLSRUSA-N 0 0 441.911 4.815 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002690539 569212577 /nfs/dbraw/zinc/21/25/77/569212577.db2.gz MCWQHMIHJVAOKX-UHFFFAOYSA-N 0 0 443.474 4.754 50 0 IJAARN CCC[C@@H]1Cc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)nc(N)c32)CO1 ZINC000002239026 569212796 /nfs/dbraw/zinc/21/27/96/569212796.db2.gz IKRFZFXFKNOYKW-CQSZACIVSA-N 0 0 428.583 4.554 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002256947 569217003 /nfs/dbraw/zinc/21/70/03/569217003.db2.gz JVFHMRADPDBHFM-QFIPXVFZSA-N 0 0 446.425 4.821 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002256948 569217014 /nfs/dbraw/zinc/21/70/14/569217014.db2.gz JVFHMRADPDBHFM-JOCHJYFZSA-N 0 0 446.425 4.821 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccc(F)c2)cc1C ZINC000027521026 569218286 /nfs/dbraw/zinc/21/82/86/569218286.db2.gz ZKWLNBPZFYWPMR-NHDPSOOVSA-N 0 0 432.451 4.581 50 0 IJAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(OC)ccc2O[C@H]3c2cccs2)cc1 ZINC000019928340 569257334 /nfs/dbraw/zinc/25/73/34/569257334.db2.gz WEQZOHLFYLWVJN-PKTZIBPZSA-N 0 0 444.516 4.917 50 0 IJAARN CCCCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(OC)c2)cc1 ZINC000027527534 569263336 /nfs/dbraw/zinc/26/33/36/569263336.db2.gz HPJJBZFHBGDLJM-UHFFFAOYSA-N 0 0 427.504 4.799 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000003024288 569263705 /nfs/dbraw/zinc/26/37/05/569263705.db2.gz OBAXRARMEWAIMY-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N ZINC000002328681 569274417 /nfs/dbraw/zinc/27/44/17/569274417.db2.gz JDESGFCFUBWXJO-UHFFFAOYSA-N 0 0 433.489 4.925 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1c1nc2ccc(F)cc2s1 ZINC000002338574 569274895 /nfs/dbraw/zinc/27/48/95/569274895.db2.gz QTXHNWXSCWQUTC-HXUWFJFHSA-N 0 0 444.443 4.997 50 0 IJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccccc1Br ZINC000002347640 569281073 /nfs/dbraw/zinc/28/10/73/569281073.db2.gz QDCWZTZPHAMJEL-UHFFFAOYSA-N 0 0 425.311 4.955 50 0 IJAARN CO[C@@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O)C5(C)C)O1 ZINC000253499918 569283388 /nfs/dbraw/zinc/28/33/88/569283388.db2.gz RNNKNCIBOJGMFI-LEGHLABXSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN COc1cc(CNC(=O)CCCCCCC(C)C)c(I)cc1O ZINC000027644862 569286063 /nfs/dbraw/zinc/28/60/63/569286063.db2.gz WPVUDCLXIKWQHK-UHFFFAOYSA-N 0 0 433.330 4.618 50 0 in-vitro IJAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccc(OC)cc1 ZINC000002353972 569285831 /nfs/dbraw/zinc/28/58/31/569285831.db2.gz BTVKVMCXQWWEEX-UHFFFAOYSA-N 0 0 428.488 4.958 50 0 IJAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002372539 569289263 /nfs/dbraw/zinc/28/92/63/569289263.db2.gz NMWPBVAOAYOZDC-HXUWFJFHSA-N 0 0 449.503 4.591 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000002378261 569289708 /nfs/dbraw/zinc/28/97/08/569289708.db2.gz JVEOZWCPDUPVFR-UHFFFAOYSA-N 0 0 446.507 4.520 50 0 IJAARN COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc(C)c1-c1ccc(F)cc1 ZINC000027698702 569292349 /nfs/dbraw/zinc/29/23/49/569292349.db2.gz FWMFUMPTPVZDQE-UHFFFAOYSA-N 0 0 429.469 4.919 50 0 IJAARN COc1ccc(OC)c([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000002383221 569293729 /nfs/dbraw/zinc/29/37/29/569293729.db2.gz DOFHKWMKGXFOFC-DJUQAAIZSA-N 0 0 433.485 4.714 50 0 IJAARN CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002399181 569298854 /nfs/dbraw/zinc/29/88/54/569298854.db2.gz RKNWBJCBVZQIIY-UHFFFAOYSA-N 0 0 449.931 4.926 50 0 IJAARN CCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cccc(C)c3nc21 ZINC000002420206 569301899 /nfs/dbraw/zinc/30/18/99/569301899.db2.gz HQUYRAMYSWHCRD-UHFFFAOYSA-N 0 0 434.496 4.581 50 0 IJAARN COc1cc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc(OC)c1OC ZINC000002425025 569302483 /nfs/dbraw/zinc/30/24/83/569302483.db2.gz YQKWHXFTNTWACK-UHFFFAOYSA-N 0 0 448.523 4.827 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002433981 569303396 /nfs/dbraw/zinc/30/33/96/569303396.db2.gz HFNJDLYDJRUHOM-NRFANRHFSA-N 0 0 432.863 4.990 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 ZINC000002437892 569303900 /nfs/dbraw/zinc/30/39/00/569303900.db2.gz XBLBGMOYGZUDLH-SIKLNZKXSA-N 0 0 449.865 4.864 50 0 IJAARN COc1cc(-c2nnc(SCCC(=O)Nc3ccccc3Cl)o2)cc(OC)c1OC ZINC000002437921 569303966 /nfs/dbraw/zinc/30/39/66/569303966.db2.gz BWBCLOFNDMDWGP-UHFFFAOYSA-N 0 0 449.916 4.537 50 0 IJAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002441481 569304169 /nfs/dbraw/zinc/30/41/69/569304169.db2.gz DBWHVAMVDMFRSI-HXUWFJFHSA-N 0 0 449.846 4.571 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC000013004208 569306252 /nfs/dbraw/zinc/30/62/52/569306252.db2.gz AQEZYXBQKDVOGL-LLVKDONJSA-N 0 0 425.710 4.775 50 0 IJAARN Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 ZINC000013009971 569306738 /nfs/dbraw/zinc/30/67/38/569306738.db2.gz ZSQXCYGIAPHIKA-UHFFFAOYSA-N 0 0 448.552 4.639 50 0 IJAARN Cc1cccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)c1C ZINC000013042525 569308240 /nfs/dbraw/zinc/30/82/40/569308240.db2.gz BZLADHVECVPRLI-UHFFFAOYSA-N 0 0 441.556 4.684 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCC(=O)c3cccs3)ccc2C)c1 ZINC000013070631 569309043 /nfs/dbraw/zinc/30/90/43/569309043.db2.gz GODTVDNDTXVJEU-UHFFFAOYSA-N 0 0 442.562 4.767 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(OC(F)F)c3)cc2)cc1 ZINC000013074900 569309280 /nfs/dbraw/zinc/30/92/80/569309280.db2.gz MGDLJPZZUURXLK-UHFFFAOYSA-N 0 0 447.459 4.641 50 0 IJAARN COCCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccccc1Cl ZINC000013117943 569311033 /nfs/dbraw/zinc/31/10/33/569311033.db2.gz AKNDSZNEMBIKQC-OAHLLOKOSA-N 0 0 430.961 4.754 50 0 IJAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1SCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000013146111 569311944 /nfs/dbraw/zinc/31/19/44/569311944.db2.gz JEKXHODCBYRYDR-IAGOWNOFSA-N 0 0 435.593 4.599 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000013356134 569313620 /nfs/dbraw/zinc/31/36/20/569313620.db2.gz OHNNUACWIVJTMV-UHFFFAOYSA-N 0 0 439.562 4.804 50 0 IJAARN O=C(NCc1nc2cc(Br)ccc2o1)c1ccc(COc2ccc(F)cc2)o1 ZINC000328591805 569317105 /nfs/dbraw/zinc/31/71/05/569317105.db2.gz NRXWOOFKKANUOQ-UHFFFAOYSA-N 0 0 445.244 4.831 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000328595421 569317719 /nfs/dbraw/zinc/31/77/19/569317719.db2.gz UUYHXEKYIWWWGM-MRXNPFEDSA-N 0 0 432.705 4.764 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccncc4)c3)o2)cc1 ZINC000078813473 569319216 /nfs/dbraw/zinc/31/92/16/569319216.db2.gz WSFJEFQUKITOCK-UHFFFAOYSA-N 0 0 439.471 4.727 50 0 IJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000078814040 569319278 /nfs/dbraw/zinc/31/92/78/569319278.db2.gz PTVAELPAGOBPEP-HYDGNGQDSA-N 0 0 434.989 4.993 50 0 IJAARN Cc1cc(-n2cncn2)ccc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000078878000 569319859 /nfs/dbraw/zinc/31/98/59/569319859.db2.gz JVMACFIRROEKAR-UHFFFAOYSA-N 0 0 448.530 4.701 50 0 IJAARN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000078974425 569321175 /nfs/dbraw/zinc/32/11/75/569321175.db2.gz UCEXSKLXQPTKLT-OKXSDPAFSA-N 0 0 444.597 4.577 50 0 IJAARN Cc1nnc(-c2cccc(NC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)c2)o1 ZINC000079097167 569325403 /nfs/dbraw/zinc/32/54/03/569325403.db2.gz DOULPYSZJBPDIO-LJQANCHMSA-N 0 0 441.329 4.583 50 0 IJAARN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000079102584 569325547 /nfs/dbraw/zinc/32/55/47/569325547.db2.gz HJYGUJINQJRGME-IAGOWNOFSA-N 0 0 431.602 4.771 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccc(F)c(Br)c1 ZINC000079464783 569330478 /nfs/dbraw/zinc/33/04/78/569330478.db2.gz HBYPCZHXYJFEPE-UHFFFAOYSA-N 0 0 428.217 4.978 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2Cl)cc1 ZINC000019855352 569330462 /nfs/dbraw/zinc/33/04/62/569330462.db2.gz ZAMWYVJQOXTAJT-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN O=C1N(CCc2ccccc2)c2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000002463874 569331808 /nfs/dbraw/zinc/33/18/08/569331808.db2.gz SNNDYSAHQYKZHF-DEOSSOPVSA-N 0 0 447.332 4.756 50 0 IJAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC2CCCCCCC2)C[C@H](C)O1 ZINC000020069444 569333213 /nfs/dbraw/zinc/33/32/13/569333213.db2.gz NATWJVOGPCZVPB-HDICACEKSA-N 0 0 442.629 4.565 50 0 IJAARN CSCC[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020116081 569335106 /nfs/dbraw/zinc/33/51/06/569335106.db2.gz QLRDXSSSCXJHFW-KRWDZBQOSA-N 0 0 427.408 4.514 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@H]1c1cccs1 ZINC000020133877 569335567 /nfs/dbraw/zinc/33/55/67/569335567.db2.gz VYAPFFUROLBKOA-KRWDZBQOSA-N 0 0 430.530 4.623 50 0 IJAARN CC[C@H](C(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C)c1ccccc1 ZINC000020153349 569353410 /nfs/dbraw/zinc/35/34/10/569353410.db2.gz LSBUVOQPPIIJHN-FQEVSTJZSA-N 0 0 440.565 4.879 50 0 IJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCc3ccc(F)cc3)cc2N(C)C1=O ZINC000020179724 569354950 /nfs/dbraw/zinc/35/49/50/569354950.db2.gz GQGCDEJYHSOLMB-OEAKJJBVSA-N 0 0 448.519 4.874 50 0 IJAARN CC(C)OCCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181369 569355293 /nfs/dbraw/zinc/35/52/93/569355293.db2.gz HDRJQXUPMJAUHD-KGENOOAVSA-N 0 0 444.984 4.751 50 0 IJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NC3CCCC3)c1)c1cc(Cl)ccc1O2 ZINC000020182116 569355399 /nfs/dbraw/zinc/35/53/99/569355399.db2.gz DWGJBZSVEIYDRR-AUSIDOKSSA-N 0 0 425.916 4.782 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N[C@@H](C)CCc3ccccc3)cc12 ZINC000020183212 569355512 /nfs/dbraw/zinc/35/55/12/569355512.db2.gz BBLPGKQBFYBTOO-IBGZPJMESA-N 0 0 434.609 4.688 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020213509 569356279 /nfs/dbraw/zinc/35/62/79/569356279.db2.gz HUAVYNVKGMFIGV-HXUWFJFHSA-N 0 0 447.457 4.893 50 0 IJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NC4CC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000020242656 569358162 /nfs/dbraw/zinc/35/81/62/569358162.db2.gz ICZNFUOLWNSNCZ-YTTGMZPUSA-N 0 0 444.556 4.523 50 0 IJAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1[S@]2=O ZINC000020242197 569358191 /nfs/dbraw/zinc/35/81/91/569358191.db2.gz NOLPNKCJYWTAEO-YTTGMZPUSA-N 0 0 446.572 4.852 50 0 IJAARN Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000095350307 569361796 /nfs/dbraw/zinc/36/17/96/569361796.db2.gz SPXNJERAGZGVQK-UHFFFAOYSA-N 0 0 438.656 4.973 50 0 IJAARN O=C(Nn1cnc2ccccc21)c1cccnc1SCc1ccc(Br)cc1 ZINC000095365004 569362414 /nfs/dbraw/zinc/36/24/14/569362414.db2.gz STZWUCDMLBJLPS-UHFFFAOYSA-N 0 0 439.338 4.870 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC[C@H](C)C2)cc1 ZINC000020381812 569362611 /nfs/dbraw/zinc/36/26/11/569362611.db2.gz BUMLVDRDFQSATO-HNNXBMFYSA-N 0 0 430.957 4.966 50 0 IJAARN C[C@H](Nc1nc(-c2ccncc2)nc2ccccc21)[C@@H](O)c1ccc(Br)cc1 ZINC000095389983 569363443 /nfs/dbraw/zinc/36/34/43/569363443.db2.gz QIXALUGVHRCDFW-VBKZILBWSA-N 0 0 435.325 4.988 50 0 IJAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(OC)c(Br)c3)nc1-2 ZINC000020439921 569365774 /nfs/dbraw/zinc/36/57/74/569365774.db2.gz XDLPHOVFIUNWJH-UHFFFAOYSA-N 0 0 445.338 4.941 50 0 IJAARN O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCCN(CC(F)F)CC1 ZINC000095452749 569368139 /nfs/dbraw/zinc/36/81/39/569368139.db2.gz VWNVTQLUSJCITG-UHFFFAOYSA-N 0 0 429.442 4.561 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)N(Cc3ccccc3)c3ccncc3)n2)cc1 ZINC000095457250 569368924 /nfs/dbraw/zinc/36/89/24/569368924.db2.gz BFAANEFOMFRNQV-UHFFFAOYSA-N 0 0 428.492 4.696 50 0 IJAARN C[C@@H](c1cccc(F)c1)N1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000095456930 569368931 /nfs/dbraw/zinc/36/89/31/569368931.db2.gz APPRRWYANFWVSD-HNNXBMFYSA-N 0 0 431.437 4.580 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[nH]c(=O)c2c1C ZINC000095461561 569369800 /nfs/dbraw/zinc/36/98/00/569369800.db2.gz ATNXCEJAQMXKFI-AWEZNQCLSA-N 0 0 438.578 4.857 50 0 IJAARN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000095467827 569371247 /nfs/dbraw/zinc/37/12/47/569371247.db2.gz AFGKMKWOXQZWGM-UHFFFAOYSA-N 0 0 438.487 4.797 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Br)c4)c32)ccc1O ZINC000095472839 569372297 /nfs/dbraw/zinc/37/22/97/569372297.db2.gz APMBPFJXBGXEKS-GOSISDBHSA-N 0 0 446.326 4.773 50 0 IJAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095475122 569372765 /nfs/dbraw/zinc/37/27/65/569372765.db2.gz QTYNRHKWOHVSLM-UHFFFAOYSA-N 0 0 444.362 4.745 50 0 IJAARN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000095482500 569374281 /nfs/dbraw/zinc/37/42/81/569374281.db2.gz NTGSFTKYHXOPCB-OAQYLSRUSA-N 0 0 437.540 4.859 50 0 IJAARN Cc1cc(C(=O)N(C[C@H]2CCCN(C(=O)c3ccc(F)c(C)c3)C2)C(C)C)ccc1F ZINC000095979876 569377755 /nfs/dbraw/zinc/37/77/55/569377755.db2.gz NUWRGIXSFLXBLA-IBGZPJMESA-N 0 0 428.523 4.985 50 0 IJAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C\c2c(Cl)nc3sccn23)cc1F ZINC000096055632 569381071 /nfs/dbraw/zinc/38/10/71/569381071.db2.gz KYUDHPUNFOHQAI-FOQNGQEVSA-N 0 0 429.908 4.573 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000096113759 569382619 /nfs/dbraw/zinc/38/26/19/569382619.db2.gz NQUPZXGEUDOVIB-UHFFFAOYSA-N 0 0 432.476 4.994 50 0 biogenic IJAARN COc1cccc(NC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)c1 ZINC000096114372 569382852 /nfs/dbraw/zinc/38/28/52/569382852.db2.gz KXTPMQQPVPSJJE-OQLLNIDSSA-N 0 0 439.508 4.599 50 0 biogenic IJAARN O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000096116768 569383940 /nfs/dbraw/zinc/38/39/40/569383940.db2.gz ZRSDVGJTSQXKMW-HNNXBMFYSA-N 0 0 430.382 4.738 50 0 IJAARN C[C@H](NC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1)c1ccccc1 ZINC000096124040 569385443 /nfs/dbraw/zinc/38/54/43/569385443.db2.gz SZOSXUWYCYZNOI-IBGZPJMESA-N 0 0 425.536 4.514 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3occ(-c4ccco4)c3c1)CC2 ZINC000096221974 569387067 /nfs/dbraw/zinc/38/70/67/569387067.db2.gz DBMYNLBXGYRFHZ-UHFFFAOYSA-N 0 0 433.460 4.674 50 0 biogenic IJAARN COCCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1OC ZINC000096275336 569388321 /nfs/dbraw/zinc/38/83/21/569388321.db2.gz ONSTVTGZSUNYPL-XMMPIXPASA-N 0 0 442.559 4.983 50 0 IJAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCc3ccncc3)n2Cc2cc(C)ccc2C)c1 ZINC000096276815 569388657 /nfs/dbraw/zinc/38/86/57/569388657.db2.gz WDOWJEASSXGYLO-UHFFFAOYSA-N 0 0 440.547 4.980 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)Nc1ccccc1OC ZINC000096279807 569389424 /nfs/dbraw/zinc/38/94/24/569389424.db2.gz KJHOWMZKFKOJGO-SFHVURJKSA-N 0 0 435.572 4.994 50 0 IJAARN O=C(COc1ccc2c(c1)n(CC1CCC1)c(=O)cc2C(F)(F)F)Nc1ccccc1F ZINC000096281977 569390172 /nfs/dbraw/zinc/39/01/72/569390172.db2.gz JORLFPZGSAOWNZ-UHFFFAOYSA-N 0 0 448.416 4.977 50 0 IJAARN CCCCN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1C1CCCC1 ZINC000096288420 569390430 /nfs/dbraw/zinc/39/04/30/569390430.db2.gz MSUMHJVBRXLRBJ-UHFFFAOYSA-N 0 0 431.583 4.898 50 0 IJAARN CCc1nc(NCCNC(=O)Nc2ccc(OC)cc2)c2cc(Cl)cc(Cl)c2n1 ZINC000096291337 569391153 /nfs/dbraw/zinc/39/11/53/569391153.db2.gz BVJYBGHANFOOEY-UHFFFAOYSA-N 0 0 434.327 4.741 50 0 IJAARN COCCCNC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3ccccc3)cn21 ZINC000096292428 569391353 /nfs/dbraw/zinc/39/13/53/569391353.db2.gz NDEFZBSKJUZXDB-UHFFFAOYSA-N 0 0 443.547 4.762 50 0 IJAARN COc1cc(OC)cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccc(C)cc3)n2)c1 ZINC000096293510 569391530 /nfs/dbraw/zinc/39/15/30/569391530.db2.gz BTMHXLGXEAIHON-QHCPKHFHSA-N 0 0 443.503 4.776 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)C3CCC3)[C@@H](C)c3ccccc3)n2)cc1OC ZINC000096293311 569391593 /nfs/dbraw/zinc/39/15/93/569391593.db2.gz LFVBESMLULGRDW-KRWDZBQOSA-N 0 0 435.524 4.686 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000096293711 569391688 /nfs/dbraw/zinc/39/16/88/569391688.db2.gz LLOITBCRZHFTNS-NRFANRHFSA-N 0 0 428.916 4.549 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000096317002 569393010 /nfs/dbraw/zinc/39/30/10/569393010.db2.gz XHOKTYJEFHTCLF-QGZVFWFLSA-N 0 0 441.595 4.659 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000096317336 569393307 /nfs/dbraw/zinc/39/33/07/569393307.db2.gz HXFVXNPPMKYBGM-UHFFFAOYSA-N 0 0 434.628 4.819 50 0 IJAARN Cc1cccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000096317505 569393471 /nfs/dbraw/zinc/39/34/71/569393471.db2.gz VCVDCHJNGMNKJD-UHFFFAOYSA-N 0 0 437.632 4.513 50 0 IJAARN COc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)n1 ZINC000096322952 569394977 /nfs/dbraw/zinc/39/49/77/569394977.db2.gz HCDNNLQXLPJWDC-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C)c(Cl)c1)C3 ZINC000096326898 569396297 /nfs/dbraw/zinc/39/62/97/569396297.db2.gz QUIUFBSUDMPZSG-UHFFFAOYSA-N 0 0 446.334 4.561 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000096335930 569396629 /nfs/dbraw/zinc/39/66/29/569396629.db2.gz ROYPCJGGUNVCCY-NFBKMPQASA-N 0 0 447.874 4.987 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C12CCCC2 ZINC000096344621 569396995 /nfs/dbraw/zinc/39/69/95/569396995.db2.gz AYDPCKXJGPGYTQ-VWLOTQADSA-N 0 0 445.607 4.688 50 0 IJAARN COc1ccccc1CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 ZINC000096344590 569397044 /nfs/dbraw/zinc/39/70/44/569397044.db2.gz JKUAYUGMHOMWRG-XMMPIXPASA-N 0 0 434.580 4.562 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096356954 569397436 /nfs/dbraw/zinc/39/74/36/569397436.db2.gz MZKGZBINJQQLBQ-UHFFFAOYSA-N 0 0 438.409 4.922 50 0 IJAARN COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)c2c1 ZINC000096358896 569397475 /nfs/dbraw/zinc/39/74/75/569397475.db2.gz BAEBMVHZWWGYFN-UHFFFAOYSA-N 0 0 425.488 4.881 50 0 biogenic IJAARN Cc1oc(C2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)nc1C(=O)N1CCCC1 ZINC000096397061 569399328 /nfs/dbraw/zinc/39/93/28/569399328.db2.gz GETICEJOOOSDHG-UHFFFAOYSA-N 0 0 430.936 4.592 50 0 IJAARN Cc1oc(-c2ccc(NC(=O)c3ccccc3Br)cc2)nc1Cn1cccn1 ZINC000096397180 569399460 /nfs/dbraw/zinc/39/94/60/569399460.db2.gz LSLKLUHBDNKQQR-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=S(=O)(Nc1ccc2nc(SCc3cccnc3)sc2c1)c1cccc(F)c1 ZINC000096399452 569399960 /nfs/dbraw/zinc/39/99/60/569399960.db2.gz IEUHFTQLPMIBIH-UHFFFAOYSA-N 0 0 431.539 4.924 50 0 IJAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)sc2c1 ZINC000096399551 569400196 /nfs/dbraw/zinc/40/01/96/569400196.db2.gz SZVIAJOVVWPDQM-UHFFFAOYSA-N 0 0 449.623 4.912 50 0 IJAARN O=C([C@H]1Cc2ccccc2N2CCCC[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096457179 569400704 /nfs/dbraw/zinc/40/07/04/569400704.db2.gz CSFKRYNIGQQFFV-GMAHTHKFSA-N 0 0 443.513 4.585 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2OC)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000096533410 569401041 /nfs/dbraw/zinc/40/10/41/569401041.db2.gz LUJCKGHYVIWIGL-SFHVURJKSA-N 0 0 428.847 4.662 50 0 IJAARN O=C(NC1CCCCC1)[C@]12CCCC[C@@H]1SCCC(=O)N2Cc1ccc(Cl)cc1 ZINC000096576701 569401541 /nfs/dbraw/zinc/40/15/41/569401541.db2.gz OSMFFVIRLQLILJ-REWPJTCUSA-N 0 0 435.033 4.936 50 0 IJAARN COc1ccc(-c2nc(-c3ccc4c(c3)n(C)c(=O)n4C)c(-c3ccccc3)[nH]2)cc1OC ZINC000096582009 569401769 /nfs/dbraw/zinc/40/17/69/569401769.db2.gz SOOAIONVSCKIEW-UHFFFAOYSA-N 0 0 440.503 4.618 50 0 IJAARN COc1ccc(CN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)C(C)(C)C)c(OC)c1 ZINC000097165005 569403401 /nfs/dbraw/zinc/40/34/01/569403401.db2.gz WWCNTAOFMPDBII-UHFFFAOYSA-N 0 0 444.616 4.696 50 0 IJAARN COC(=O)[C@@](NC(=O)Nc1cccc(Cl)c1)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000002504006 569406164 /nfs/dbraw/zinc/40/61/64/569406164.db2.gz WIMFIMPMIYATHK-SFHVURJKSA-N 0 0 425.794 4.574 50 0 IJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000225660578 569406476 /nfs/dbraw/zinc/40/64/76/569406476.db2.gz VVWVRWHGUWIQFM-OAQYLSRUSA-N 0 0 428.467 4.964 50 0 IJAARN COc1ccc(CCC(=O)NCc2ccnc(-c3ccsc3)c2)cc1Br ZINC000225755437 569408152 /nfs/dbraw/zinc/40/81/52/569408152.db2.gz FLAMVFNQGNLPCF-UHFFFAOYSA-N 0 0 431.355 4.830 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC000002616595 569410235 /nfs/dbraw/zinc/41/02/35/569410235.db2.gz LRVRZXJIFSIJKB-UHFFFAOYSA-N 0 0 439.556 4.515 50 0 IJAARN Nc1cccc(CNC(=O)/C(=C/c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)c1 ZINC000215671287 569410578 /nfs/dbraw/zinc/41/05/78/569410578.db2.gz LRWKXBIADDVBQH-ULJHMMPZSA-N 0 0 437.499 4.616 50 0 IJAARN CCOc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(F)c1 ZINC000002633794 569412624 /nfs/dbraw/zinc/41/26/24/569412624.db2.gz VOUTVZSSJPLAAB-UHFFFAOYSA-N 0 0 449.507 4.654 50 0 IJAARN NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002634789 569412801 /nfs/dbraw/zinc/41/28/01/569412801.db2.gz RUKUOYCOGNRYBZ-UHFFFAOYSA-N 0 0 447.269 4.837 50 0 IJAARN C[C@]1(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1(Cl)Cl ZINC000002636917 569413184 /nfs/dbraw/zinc/41/31/84/569413184.db2.gz HNRGSRSZOJFRDT-OAQYLSRUSA-N 0 0 444.318 4.605 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000002646119 569414217 /nfs/dbraw/zinc/41/42/17/569414217.db2.gz FDMMBYQEKXPLLD-OAQYLSRUSA-N 0 0 440.421 4.791 50 0 IJAARN CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCC(=O)N(CC)CC)cc21 ZINC000002648423 569414448 /nfs/dbraw/zinc/41/44/48/569414448.db2.gz IULVRUPWSRWLRR-UHFFFAOYSA-N 0 0 436.552 4.616 50 0 IJAARN C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002653410 569415180 /nfs/dbraw/zinc/41/51/80/569415180.db2.gz WVDCANRVNQHNAA-LLVKDONJSA-N 0 0 438.336 4.891 50 0 IJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1CCc1ccc(F)cc1 ZINC000002662587 569416274 /nfs/dbraw/zinc/41/62/74/569416274.db2.gz HFRRPPKUQUPRKJ-UHFFFAOYSA-N 0 0 435.524 4.698 50 0 IJAARN CCOC(=O)c1c(NC(=O)Nc2ccc(CC)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000002686853 569416852 /nfs/dbraw/zinc/41/68/52/569416852.db2.gz LSMGGKQOUNNSLH-UHFFFAOYSA-N 0 0 445.541 4.646 50 0 IJAARN O=C(CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)NCc1ccccc1Cl ZINC000002688201 569416895 /nfs/dbraw/zinc/41/68/95/569416895.db2.gz WRTZPCXSANUFSE-UHFFFAOYSA-N 0 0 445.972 4.510 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccc(Cl)cc1)cc(C(=O)c1ccccc1)c2=O ZINC000002690529 569416964 /nfs/dbraw/zinc/41/69/64/569416964.db2.gz JLOHFWAFIQOQPR-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN COC(=O)c1ccn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)n1 ZINC000002733259 569419589 /nfs/dbraw/zinc/41/95/89/569419589.db2.gz QNIAHIRLIKDWRT-UHFFFAOYSA-N 0 0 428.826 4.638 50 0 IJAARN S=C1N=NC(c2ccc(COc3ccc(Cl)cc3Cl)o2)N1C[C@H]1CCCO1 ZINC000002790898 569421798 /nfs/dbraw/zinc/42/17/98/569421798.db2.gz VVXPINDBNQAMHU-GFCCVEGCSA-N 0 0 426.325 4.892 50 0 IJAARN CCc1sc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1Br ZINC000002800453 569422408 /nfs/dbraw/zinc/42/24/08/569422408.db2.gz FTHDIDKLXHFZCF-UHFFFAOYSA-N 0 0 425.315 4.517 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000002908897 569424770 /nfs/dbraw/zinc/42/47/70/569424770.db2.gz ANYQTIUYYWBXAK-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911013 569424811 /nfs/dbraw/zinc/42/48/11/569424811.db2.gz UDDYMVPRUAUXKM-UHFFFAOYSA-N 0 0 445.878 4.999 50 0 IJAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCCC2)c1 ZINC000002912866 569425015 /nfs/dbraw/zinc/42/50/15/569425015.db2.gz GQSQOSAIDTZPPT-DEOSSOPVSA-N 0 0 436.552 4.630 50 0 IJAARN Cc1c(C(=O)Oc2ccc(F)cc2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002919977 569425270 /nfs/dbraw/zinc/42/52/70/569425270.db2.gz RDQIKZDXLBIBGQ-UHFFFAOYSA-N 0 0 428.872 4.826 50 0 IJAARN CCOC(=O)c1sc2nc(Cc3ccccc3)nc(NCC(OCC)OCC)c2c1C ZINC000002921840 569425375 /nfs/dbraw/zinc/42/53/75/569425375.db2.gz MQLQWXMPPLTVJI-UHFFFAOYSA-N 0 0 443.569 4.578 50 0 IJAARN O=C(CSc1nc2ccccc2c(NCc2ccc3c(c2)OCO3)n1)c1ccccc1 ZINC000002949003 569427163 /nfs/dbraw/zinc/42/71/63/569427163.db2.gz XTYRYJODGDRQLG-UHFFFAOYSA-N 0 0 429.501 4.946 50 0 IJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1nc(C(C)C)no1 ZINC000029139162 569427385 /nfs/dbraw/zinc/42/73/85/569427385.db2.gz OCTFLUAANQUTFK-UHFFFAOYSA-N 0 0 432.600 4.999 50 0 IJAARN Cc1cc(CN2CCN(c3ncnc4cc(-c5ccc(Cl)cc5)sc43)CC2)no1 ZINC000057315240 569430796 /nfs/dbraw/zinc/43/07/96/569430796.db2.gz DBTJHWZUVIXVKE-UHFFFAOYSA-N 0 0 425.945 4.630 50 0 IJAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccc(CN2CCOCC2)cc1 ZINC000029716273 569431904 /nfs/dbraw/zinc/43/19/04/569431904.db2.gz BYGIXIWZOWBJQJ-SOFGYWHQSA-N 0 0 438.877 4.521 50 0 IJAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C[C@H]1COc2ccccc2O1 ZINC000002971154 569433385 /nfs/dbraw/zinc/43/33/85/569433385.db2.gz SIEKQASBRJYDIQ-SFHVURJKSA-N 0 0 434.492 4.668 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 ZINC000002970678 569433437 /nfs/dbraw/zinc/43/34/37/569433437.db2.gz KPTJMSNFFHTILK-UHFFFAOYSA-N 0 0 435.574 4.800 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1F ZINC000057417045 569434288 /nfs/dbraw/zinc/43/42/88/569434288.db2.gz SEKHDSPOURJCAJ-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 ZINC000057426103 569434498 /nfs/dbraw/zinc/43/44/98/569434498.db2.gz GXNKYCJNJFGOSK-UHFFFAOYSA-N 0 0 439.537 4.685 50 0 IJAARN S=c1n(CN2CCN(c3ccccc3)CC2)nc(-c2cccs2)n1-c1ccccc1 ZINC000057427851 569434817 /nfs/dbraw/zinc/43/48/17/569434817.db2.gz ZOMNVDPAVFDQIB-UHFFFAOYSA-N 0 0 433.606 4.911 50 0 IJAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)N(C)C2CCCCC2)ccc1F ZINC000057428672 569434924 /nfs/dbraw/zinc/43/49/24/569434924.db2.gz ROLSFYZZDDCRSS-UHFFFAOYSA-N 0 0 445.585 4.778 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1C)CC2 ZINC000003006534 569435134 /nfs/dbraw/zinc/43/51/34/569435134.db2.gz VQFWJGSCSMKPOR-QHCPKHFHSA-N 0 0 435.495 4.970 50 0 IJAARN CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(F)ccc1Cl ZINC000057472550 569435639 /nfs/dbraw/zinc/43/56/39/569435639.db2.gz IVFZWVXJMTVECH-UHFFFAOYSA-N 0 0 433.936 4.966 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000057472682 569435664 /nfs/dbraw/zinc/43/56/64/569435664.db2.gz UYQJKZTVJQCMTL-UHFFFAOYSA-N 0 0 435.936 4.829 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1cccs1)Nc1ccc(F)cc1 ZINC000057473433 569435737 /nfs/dbraw/zinc/43/57/37/569435737.db2.gz VTGFXKTUSBGYJG-UHFFFAOYSA-N 0 0 439.537 4.571 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)cc1 ZINC000003022339 569435994 /nfs/dbraw/zinc/43/59/94/569435994.db2.gz CGJQRACZCPOFLE-UHFFFAOYSA-N 0 0 432.904 4.518 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000003022751 569436050 /nfs/dbraw/zinc/43/60/50/569436050.db2.gz VMROCUQOXPADQF-UHFFFAOYSA-N 0 0 446.931 4.827 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1F ZINC000003022758 569436051 /nfs/dbraw/zinc/43/60/51/569436051.db2.gz CRJBNGMQXARNND-UHFFFAOYSA-N 0 0 446.931 4.861 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1F ZINC000003022964 569436078 /nfs/dbraw/zinc/43/60/78/569436078.db2.gz IRQURCNVMPXGCR-UHFFFAOYSA-N 0 0 444.503 4.736 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000003022627 569436079 /nfs/dbraw/zinc/43/60/79/569436079.db2.gz PNNWZQZKWUQFMZ-CALCHBBNSA-N 0 0 432.561 4.868 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003023400 569436095 /nfs/dbraw/zinc/43/60/95/569436095.db2.gz VBVFCDRLKPXQCC-HNNXBMFYSA-N 0 0 438.952 4.993 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003023738 569436135 /nfs/dbraw/zinc/43/61/35/569436135.db2.gz LCUJNYWEKOXAKV-UHFFFAOYSA-N 0 0 448.878 4.622 50 0 IJAARN CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F ZINC000003025109 569436217 /nfs/dbraw/zinc/43/62/17/569436217.db2.gz XSIDLWKTWSZAON-UHFFFAOYSA-N 0 0 432.561 4.814 50 0 IJAARN CCc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc32)cc1 ZINC000003025528 569436280 /nfs/dbraw/zinc/43/62/80/569436280.db2.gz GBSFSDFEZCXBSI-UHFFFAOYSA-N 0 0 429.520 4.578 50 0 biogenic IJAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccco2)c1)c1ccc(F)cc1 ZINC000057486273 569436449 /nfs/dbraw/zinc/43/64/49/569436449.db2.gz UOBOUUPBHOEJPO-UHFFFAOYSA-N 0 0 435.480 4.509 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000057486769 569436518 /nfs/dbraw/zinc/43/65/18/569436518.db2.gz CEHWAXWRRSKPEI-OAHLLOKOSA-N 0 0 436.899 4.745 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486771 569436559 /nfs/dbraw/zinc/43/65/59/569436559.db2.gz DRVYSUBQBQHJMW-OAHLLOKOSA-N 0 0 436.899 4.745 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NC1CCCCC1 ZINC000057486935 569436588 /nfs/dbraw/zinc/43/65/88/569436588.db2.gz NAVBQBACYHXPCJ-UHFFFAOYSA-N 0 0 447.308 4.556 50 0 IJAARN COc1cccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057487319 569436673 /nfs/dbraw/zinc/43/66/73/569436673.db2.gz PBXRAVVRSSWMRE-HNNXBMFYSA-N 0 0 436.899 4.745 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000057487476 569436719 /nfs/dbraw/zinc/43/67/19/569436719.db2.gz KTDFKBUXUOITHV-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2F)c1 ZINC000057487426 569436724 /nfs/dbraw/zinc/43/67/24/569436724.db2.gz DLODVUAYRKIDMF-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1C ZINC000057487578 569436803 /nfs/dbraw/zinc/43/68/03/569436803.db2.gz UTWBQVONKXOGFL-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl ZINC000057487772 569436852 /nfs/dbraw/zinc/43/68/52/569436852.db2.gz HPIFHCFBMFNQOI-AWEZNQCLSA-N 0 0 448.013 4.984 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000057488217 569436885 /nfs/dbraw/zinc/43/68/85/569436885.db2.gz AFDQDBHBIZESTB-KRWDZBQOSA-N 0 0 441.622 4.947 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488051 569436913 /nfs/dbraw/zinc/43/69/13/569436913.db2.gz OYBHEJVYEDPHBA-HNNXBMFYSA-N 0 0 448.013 4.984 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)c(C)c1 ZINC000057488541 569436936 /nfs/dbraw/zinc/43/69/36/569436936.db2.gz QBGUGUFWGKXYKW-INIZCTEOSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@H]2C)c1 ZINC000057488236 569436946 /nfs/dbraw/zinc/43/69/46/569436946.db2.gz NYQZEDCBNGZGHE-MRXNPFEDSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000057488519 569436954 /nfs/dbraw/zinc/43/69/54/569436954.db2.gz RGPXMIRIZGFYAY-IYBDPMFKSA-N 0 0 441.622 4.661 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)c(C)c1 ZINC000057488593 569436965 /nfs/dbraw/zinc/43/69/65/569436965.db2.gz GBWUQRGXARZULE-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(C)C)c3)c2=O)c(C)c1 ZINC000057493154 569437588 /nfs/dbraw/zinc/43/75/88/569437588.db2.gz IWVQNKMHFMKFRU-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN COc1ccccc1CNC(=O)c1cnn2c1nc(C)c(Cc1ccc(Cl)cc1)c2C ZINC000003033327 569437844 /nfs/dbraw/zinc/43/78/44/569437844.db2.gz XJOZDXOEIWYVKC-UHFFFAOYSA-N 0 0 434.927 4.529 50 0 IJAARN Cc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1c(F)cccc1Cl ZINC000003033814 569437863 /nfs/dbraw/zinc/43/78/63/569437863.db2.gz OCXZKCSEAYBEGR-UHFFFAOYSA-N 0 0 440.881 4.799 50 0 IJAARN COC(=O)c1cnn2c(NC3CCC(C)CC3)c(-c3ccc(OC(C)C)c(OC)c3)[nH]c12 ZINC000003038534 569437976 /nfs/dbraw/zinc/43/79/76/569437976.db2.gz VVKAFTNKYCNUHU-UHFFFAOYSA-N 0 0 440.544 4.902 50 0 IJAARN COc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCC2=CCCCC2)cc1OC ZINC000003037510 569438005 /nfs/dbraw/zinc/43/80/05/569438005.db2.gz MVEMIPDLHYFDEN-VWLOTQADSA-N 0 0 440.584 4.639 50 0 IJAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000003039154 569438048 /nfs/dbraw/zinc/43/80/48/569438048.db2.gz MIBASRQXZWCAAA-DEOSSOPVSA-N 0 0 440.971 4.984 50 0 IJAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2C)c(-c2cccc(Cl)c2)n1 ZINC000057526970 569439094 /nfs/dbraw/zinc/43/90/94/569439094.db2.gz FYPXPVWGPDRCDB-UHFFFAOYSA-N 0 0 446.732 4.582 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@H](C)C2=O)cc1 ZINC000003055992 569439349 /nfs/dbraw/zinc/43/93/49/569439349.db2.gz DWWVJPPJMIHPBC-QGZVFWFLSA-N 0 0 431.923 4.860 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000003059278 569439421 /nfs/dbraw/zinc/43/94/21/569439421.db2.gz BOWWUPHGUXAOQX-UHFFFAOYSA-N 0 0 435.574 4.800 50 0 IJAARN O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCCCCC1 ZINC000003188721 569441463 /nfs/dbraw/zinc/44/14/63/569441463.db2.gz FKZLYVQFINQJPH-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000003223248 569442079 /nfs/dbraw/zinc/44/20/79/569442079.db2.gz CJPSGLSLPSJPMY-IBGZPJMESA-N 0 0 444.281 4.978 50 0 IJAARN CCN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)c1cccc2ccccc21 ZINC000003246881 569442808 /nfs/dbraw/zinc/44/28/08/569442808.db2.gz YSJRXQOCJOYDLV-UHFFFAOYSA-N 0 0 442.471 4.895 50 0 IJAARN Fc1ccc(-c2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)no2)cc1 ZINC000030514725 569443071 /nfs/dbraw/zinc/44/30/71/569443071.db2.gz ATVIVIOXMTWPBW-UHFFFAOYSA-N 0 0 436.516 4.739 50 0 IJAARN CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@@]1(c1ccc(C)cc1)C(F)(F)F ZINC000003261827 569443242 /nfs/dbraw/zinc/44/32/42/569443242.db2.gz NBCHSAXILYZKAD-HXUWFJFHSA-N 0 0 434.439 4.863 50 0 IJAARN COc1ccccc1NCCC(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003273702 569443622 /nfs/dbraw/zinc/44/36/22/569443622.db2.gz ORSNLQNULJHEGJ-UHFFFAOYSA-N 0 0 431.703 4.639 50 0 IJAARN COC(=O)c1c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 ZINC000003297288 569444808 /nfs/dbraw/zinc/44/48/08/569444808.db2.gz VJDPLOILUMWKAM-UHFFFAOYSA-N 0 0 443.565 4.897 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000003303403 569445124 /nfs/dbraw/zinc/44/51/24/569445124.db2.gz PXKWSDRGGKHVRZ-HXUWFJFHSA-N 0 0 440.927 4.700 50 0 IJAARN CC[C@@H](C)c1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 ZINC000003314819 569445636 /nfs/dbraw/zinc/44/56/36/569445636.db2.gz RNEZDKGISILZLQ-QGZVFWFLSA-N 0 0 444.528 4.762 50 0 IJAARN CC(=O)Nc1ccc(C(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000003321711 569445985 /nfs/dbraw/zinc/44/59/85/569445985.db2.gz XZXJCFFTRXLXQA-UHFFFAOYSA-N 0 0 426.472 4.843 50 0 IJAARN COc1cc(-c2nnc(SCC(=O)c3c(C)cc(C)cc3C)o2)cc(OC)c1OC ZINC000003328633 569446285 /nfs/dbraw/zinc/44/62/85/569446285.db2.gz ULPMNGLMZZHGPY-UHFFFAOYSA-N 0 0 428.510 4.663 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc(Cl)cn1 ZINC000003331918 569446456 /nfs/dbraw/zinc/44/64/56/569446456.db2.gz BUVPOYOQRKSRTI-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003347061 569447156 /nfs/dbraw/zinc/44/71/56/569447156.db2.gz JMSFQRZKPNFIOJ-UHFFFAOYSA-N 0 0 439.471 4.537 50 0 IJAARN Cc1csc(Sc2c(Cl)cccc2NC(=O)C2CCN(c3ncccn3)CC2)n1 ZINC000058104861 569447504 /nfs/dbraw/zinc/44/75/04/569447504.db2.gz DPUYCCQWNVPVIN-UHFFFAOYSA-N 0 0 446.001 4.901 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N[C@H]4CCCC[C@@H]4C)ccc3c2=O)cc1 ZINC000003361635 569447955 /nfs/dbraw/zinc/44/79/55/569447955.db2.gz IULGYIXLBBGZFD-AOMKIAJQSA-N 0 0 435.520 4.851 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 ZINC000003363044 569447963 /nfs/dbraw/zinc/44/79/63/569447963.db2.gz USTKLQKXGXSTGG-UHFFFAOYSA-N 0 0 441.560 4.857 50 0 IJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000003396804 569449482 /nfs/dbraw/zinc/44/94/82/569449482.db2.gz ZQTWDSHYSPCIKS-JOCHJYFZSA-N 0 0 442.302 4.552 50 0 IJAARN C[C@@H]1CCc2c(sc3[nH]c(COC(=O)C4c5ccccc5-c5ccccc54)nc(=O)c23)C1 ZINC000003397816 569449491 /nfs/dbraw/zinc/44/94/91/569449491.db2.gz IBZZHCVYRJAXEL-CQSZACIVSA-N 0 0 442.540 4.965 50 0 IJAARN COc1ccc(CCNC(=O)CSc2cc(C)c(Br)cc2C)cc1OC ZINC000003418527 569450298 /nfs/dbraw/zinc/45/02/98/569450298.db2.gz GXQSNQUQWLSARA-UHFFFAOYSA-N 0 0 438.387 4.534 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000003437474 569451073 /nfs/dbraw/zinc/45/10/73/569451073.db2.gz VQYHLNPBVPMQDC-UHFFFAOYSA-N 0 0 442.874 4.930 50 0 IJAARN CC(C)(C)NC(=O)NC(=O)CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000003448393 569451484 /nfs/dbraw/zinc/45/14/84/569451484.db2.gz NKPLBHPSWFGFAI-UHFFFAOYSA-N 0 0 446.623 4.700 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000003450760 569451583 /nfs/dbraw/zinc/45/15/83/569451583.db2.gz PYJOOGFHIVIUOM-UHFFFAOYSA-N 0 0 440.908 4.817 50 0 IJAARN COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000003478506 569452261 /nfs/dbraw/zinc/45/22/61/569452261.db2.gz NWWLXULLXZPNCL-UHFFFAOYSA-N 0 0 449.561 4.553 50 0 IJAARN COc1ccc(C(C)=O)cc1COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000003489260 569452433 /nfs/dbraw/zinc/45/24/33/569452433.db2.gz HGBFADDTCWMZIN-UHFFFAOYSA-N 0 0 427.460 4.503 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000003491013 569452494 /nfs/dbraw/zinc/45/24/94/569452494.db2.gz ZZQKTWVOZIOOQA-UHFFFAOYSA-N 0 0 429.545 4.792 50 0 IJAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000003495837 569452672 /nfs/dbraw/zinc/45/26/72/569452672.db2.gz UJTOTJXUJFUXHR-QAPCUYQASA-N 0 0 436.537 4.795 50 0 IJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)o1 ZINC000003516870 569453081 /nfs/dbraw/zinc/45/30/81/569453081.db2.gz MRAOUSYCZDRLSB-UHFFFAOYSA-N 0 0 426.881 4.711 50 0 IJAARN CC[C@H](c1nnc(SCc2nnc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C ZINC000003552213 569453830 /nfs/dbraw/zinc/45/38/30/569453830.db2.gz VJVQOQATLCGTDL-LJQANCHMSA-N 0 0 434.569 4.681 50 0 IJAARN CC(C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nc2cc(Cl)ccc2c1=O ZINC000003567608 569454133 /nfs/dbraw/zinc/45/41/33/569454133.db2.gz HNTFDVRCDILCGO-AWEZNQCLSA-N 0 0 427.957 4.701 50 0 IJAARN O=C(OCc1nc2ccccc2s1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000003605530 569454883 /nfs/dbraw/zinc/45/48/83/569454883.db2.gz KOVHVRXPLKDSKN-UHFFFAOYSA-N 0 0 431.469 4.656 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000003638935 569455492 /nfs/dbraw/zinc/45/54/92/569455492.db2.gz UEZYBTFBHMCMEP-FQRUVTKNSA-N 0 0 449.620 4.661 50 0 IJAARN O=c1c2cc(NC(=S)N3CCC(Cc4ccccc4)CC3)ccc2nc2n1CCCCC2 ZINC000003645989 569455612 /nfs/dbraw/zinc/45/56/12/569455612.db2.gz AWCJBEKZXDDMDI-UHFFFAOYSA-N 0 0 446.620 4.774 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)NC(C)C)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661373 569455973 /nfs/dbraw/zinc/45/59/73/569455973.db2.gz KCKJZJHKIIHETC-LOSJGSFVSA-N 0 0 446.522 4.840 50 0 IJAARN CCOc1ccc(-c2nc(CSCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 ZINC000031412415 569456297 /nfs/dbraw/zinc/45/62/97/569456297.db2.gz MWMQPJADZDBXQZ-UHFFFAOYSA-N 0 0 428.535 4.809 50 0 IJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000031733124 569457164 /nfs/dbraw/zinc/45/71/64/569457164.db2.gz SBQCQNJSIKLYIW-UHFFFAOYSA-N 0 0 447.926 4.726 50 0 IJAARN CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1 ZINC000004059407 569458537 /nfs/dbraw/zinc/45/85/37/569458537.db2.gz JBSVYCGYUBWQOA-UHFFFAOYSA-N 0 0 428.577 4.740 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000032069527 569459123 /nfs/dbraw/zinc/45/91/23/569459123.db2.gz YOOJYUQTRWLOTH-LJQANCHMSA-N 0 0 440.883 4.531 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC(C)C ZINC000032071985 569459246 /nfs/dbraw/zinc/45/92/46/569459246.db2.gz HOIHZIOGPONFTJ-AWEZNQCLSA-N 0 0 427.892 4.544 50 0 IJAARN CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2Cc1ccccc1Cl ZINC000032071140 569459259 /nfs/dbraw/zinc/45/92/59/569459259.db2.gz NOMPBWJDAAVNNY-UHFFFAOYSA-N 0 0 435.940 4.740 50 0 IJAARN Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2CC(=O)c1ccc(Cl)cc1 ZINC000032091085 569459623 /nfs/dbraw/zinc/45/96/23/569459623.db2.gz DWRRAIVRRUJION-UHFFFAOYSA-N 0 0 438.896 4.519 50 0 IJAARN O=C(NC[C@H](O)c1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032095055 569459804 /nfs/dbraw/zinc/45/98/04/569459804.db2.gz PJBLCLSEQAXZLO-DQEYMECFSA-N 0 0 446.591 4.721 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC(C)C ZINC000032096988 569459978 /nfs/dbraw/zinc/45/99/78/569459978.db2.gz WKTDZWAGUGUDCO-CQSZACIVSA-N 0 0 427.892 4.544 50 0 IJAARN COc1cc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc(OC)c1 ZINC000032104529 569460196 /nfs/dbraw/zinc/46/01/96/569460196.db2.gz BZMIXMWBMZYICR-SFHVURJKSA-N 0 0 440.887 4.701 50 0 IJAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccccc2)c1 ZINC000004186541 569460789 /nfs/dbraw/zinc/46/07/89/569460789.db2.gz QWVWJWRTHXHNER-UHFFFAOYSA-N 0 0 428.561 4.575 50 0 IJAARN CCOC(=O)c1csc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)n1 ZINC000004209070 569460991 /nfs/dbraw/zinc/46/09/91/569460991.db2.gz ROFSARQUXKKZAA-UHFFFAOYSA-N 0 0 440.525 4.999 50 0 IJAARN COc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000032384208 569461477 /nfs/dbraw/zinc/46/14/77/569461477.db2.gz UUQDREAPKRFRBQ-QFIPXVFZSA-N 0 0 447.564 4.611 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc2ccccc2oc1=O ZINC000032524934 569462019 /nfs/dbraw/zinc/46/20/19/569462019.db2.gz FCSUUBSGKSNFET-UHFFFAOYSA-N 0 0 435.911 4.580 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)N(C)Cc4ccccc4)s3)c2C)cc1 ZINC000038487649 569462931 /nfs/dbraw/zinc/46/29/31/569462931.db2.gz RLVMODZVAWVRIU-UHFFFAOYSA-N 0 0 447.564 4.679 50 0 IJAARN COc1ccc(CNC(=O)Nc2cc(-c3ccsc3)ccc2NC(C)=O)cc1OC ZINC000038490189 569463161 /nfs/dbraw/zinc/46/31/61/569463161.db2.gz NCEWKMXBTJACSS-UHFFFAOYSA-N 0 0 425.510 4.712 50 0 IJAARN CCc1cc([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546453 569463533 /nfs/dbraw/zinc/46/35/33/569463533.db2.gz HILDYMYGTKIOLS-NRFANRHFSA-N 0 0 427.545 4.632 50 0 IJAARN Cc1cc([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546406 569463569 /nfs/dbraw/zinc/46/35/69/569463569.db2.gz VZPONVFOVFTIHD-HXUWFJFHSA-N 0 0 429.973 4.892 50 0 IJAARN CCCOc1ccc(CN(CCC)C(=O)Cc2ccc(OC)cc2OC)cc1OCC ZINC000008405611 569464042 /nfs/dbraw/zinc/46/40/42/569464042.db2.gz IUQZZPVUIMDARX-UHFFFAOYSA-N 0 0 429.557 4.873 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C(C)C ZINC000067192644 569464401 /nfs/dbraw/zinc/46/44/01/569464401.db2.gz OJMULZGNNUIOSF-UHFFFAOYSA-N 0 0 435.553 4.584 50 0 IJAARN C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2N1 ZINC000067197421 569464425 /nfs/dbraw/zinc/46/44/25/569464425.db2.gz NXPPIUCXYHIVBE-RTHLEPHNSA-N 0 0 436.217 4.537 50 0 IJAARN CN(C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)c1ccccc1 ZINC000067207319 569464732 /nfs/dbraw/zinc/46/47/32/569464732.db2.gz GEAVUSFQCNBMPL-UHFFFAOYSA-N 0 0 437.297 4.631 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209088 569464789 /nfs/dbraw/zinc/46/47/89/569464789.db2.gz PIJYPZWERUIBOJ-MRXNPFEDSA-N 0 0 427.595 4.639 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1 ZINC000067209262 569464794 /nfs/dbraw/zinc/46/47/94/569464794.db2.gz GBPMTSMSUSESMB-UHFFFAOYSA-N 0 0 449.557 4.689 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@H]2C)c1 ZINC000067216935 569464907 /nfs/dbraw/zinc/46/49/07/569464907.db2.gz FACYXQNXHAXDEI-MRXNPFEDSA-N 0 0 427.595 4.557 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1[nH]nnc1Nc1ccc(OCc2ccccc2)cc1 ZINC000038654647 569465807 /nfs/dbraw/zinc/46/58/07/569465807.db2.gz OWRDYPQMTLYOMY-UHFFFAOYSA-N 0 0 433.899 4.711 50 0 IJAARN CN(c1ccsc1C(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245591 569465900 /nfs/dbraw/zinc/46/59/00/569465900.db2.gz JTEJVFADTZKWBP-UHFFFAOYSA-N 0 0 426.991 4.679 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1ccc(F)cc1 ZINC000067245360 569465902 /nfs/dbraw/zinc/46/59/02/569465902.db2.gz JLQGIPXGCCZNBL-UHFFFAOYSA-N 0 0 427.391 4.576 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccc2c(c1)OCO2 ZINC000067259421 569466273 /nfs/dbraw/zinc/46/62/73/569466273.db2.gz OSIMIVQYNSBPRB-UHFFFAOYSA-N 0 0 438.455 4.744 50 0 IJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cc(F)ccc3F)c(=O)c12 ZINC000067260403 569466372 /nfs/dbraw/zinc/46/63/72/569466372.db2.gz HJURTMMVEGNOPZ-UHFFFAOYSA-N 0 0 442.472 4.871 50 0 IJAARN COc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1OC ZINC000067261391 569466499 /nfs/dbraw/zinc/46/64/99/569466499.db2.gz HKYSREQLSPFFLK-UHFFFAOYSA-N 0 0 429.455 4.713 50 0 IJAARN COc1ccccc1-c1cc(C(=O)NCC2CCC(c3nc4ccccc4n3C)CC2)[nH]n1 ZINC000038671727 569466555 /nfs/dbraw/zinc/46/65/55/569466555.db2.gz UJNFRWRNWVIEJA-UHFFFAOYSA-N 0 0 443.551 4.676 50 0 IJAARN Cc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)c1 ZINC000067288144 569467412 /nfs/dbraw/zinc/46/74/12/569467412.db2.gz DVRVSYWNJZUBKW-UHFFFAOYSA-N 0 0 432.543 4.635 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067290001 569467533 /nfs/dbraw/zinc/46/75/33/569467533.db2.gz TXPRVNILYUVICO-UHFFFAOYSA-N 0 0 445.548 4.702 50 0 IJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccc(Br)cc1 ZINC000067290137 569467573 /nfs/dbraw/zinc/46/75/73/569467573.db2.gz GILKWKCBJWRGJD-UHFFFAOYSA-N 0 0 445.367 4.951 50 0 IJAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067292206 569467720 /nfs/dbraw/zinc/46/77/20/569467720.db2.gz JESSHNROMFKQGN-FGGSVNHKSA-N 0 0 441.325 4.645 50 0 IJAARN CSc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067293086 569467829 /nfs/dbraw/zinc/46/78/29/569467829.db2.gz ITUVRFRCEUTAAC-QEQSUZCXSA-N 0 0 428.941 4.949 50 0 IJAARN CCOC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294305 569467887 /nfs/dbraw/zinc/46/78/87/569467887.db2.gz FJVOHNMRLUCVCE-PNHLSOANSA-N 0 0 443.459 4.503 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3F)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319586 569468565 /nfs/dbraw/zinc/46/85/65/569468565.db2.gz DPQNYJUPJKDSKR-UHFFFAOYSA-N 0 0 436.512 4.509 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc(F)cc3F)cc2)CC1 ZINC000067334488 569468808 /nfs/dbraw/zinc/46/88/08/569468808.db2.gz ZDVSVKQARGOFHV-UHFFFAOYSA-N 0 0 438.478 4.713 50 0 IJAARN COc1ccc([C@@H](NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709612 569470819 /nfs/dbraw/zinc/47/08/19/569470819.db2.gz YOEKBHBRPRHEBT-UIOOFZCWSA-N 0 0 432.589 4.972 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000008717677 569471111 /nfs/dbraw/zinc/47/11/11/569471111.db2.gz KQKIOEMMNMQZGY-BKMJKUGQSA-N 0 0 425.488 4.606 50 0 IJAARN CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 ZINC000008717797 569471166 /nfs/dbraw/zinc/47/11/66/569471166.db2.gz ZGLVNKAMUMLBFQ-SFHVURJKSA-N 0 0 442.943 4.526 50 0 IJAARN Cc1ccccc1CN(C)C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 ZINC000008719686 569471457 /nfs/dbraw/zinc/47/14/57/569471457.db2.gz HXGMTJWXKIQYTE-UHFFFAOYSA-N 0 0 435.574 4.506 50 0 IJAARN CCn1c(S[C@H](C)C(=O)NC2CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000008724754 569472058 /nfs/dbraw/zinc/47/20/58/569472058.db2.gz QCJITYPDJFJOPZ-MRXNPFEDSA-N 0 0 443.576 4.939 50 0 IJAARN O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000008726283 569472313 /nfs/dbraw/zinc/47/23/13/569472313.db2.gz PWHGEXNHJIMULO-UHFFFAOYSA-N 0 0 427.429 4.537 50 0 IJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1ccco1)C1=CCCCC1 ZINC000008734341 569472537 /nfs/dbraw/zinc/47/25/37/569472537.db2.gz TWQVIYJDTRKKGM-UHFFFAOYSA-N 0 0 432.307 4.783 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000008735495 569472683 /nfs/dbraw/zinc/47/26/83/569472683.db2.gz CGAZPOKTLSGRLH-UHFFFAOYSA-N 0 0 428.410 4.663 50 0 IJAARN COc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000008750697 569473421 /nfs/dbraw/zinc/47/34/21/569473421.db2.gz MULHTXYUJVHFJG-JOCHJYFZSA-N 0 0 439.309 4.578 50 0 IJAARN COc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 ZINC000008753787 569473761 /nfs/dbraw/zinc/47/37/61/569473761.db2.gz ZPTWTBVTTSWYJF-UHFFFAOYSA-N 0 0 425.448 4.645 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(COc2ccccc2)o1 ZINC000008753927 569473802 /nfs/dbraw/zinc/47/38/02/569473802.db2.gz JCPGHVVAKLTUQU-UHFFFAOYSA-N 0 0 430.298 4.902 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 ZINC000008762757 569474374 /nfs/dbraw/zinc/47/43/74/569474374.db2.gz JWPKOCFCZMUKFU-HHHXNRCGSA-N 0 0 431.848 4.629 50 0 IJAARN Cc1nc(NC(=O)Nc2cccc(C)c2)sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000008771218 569475168 /nfs/dbraw/zinc/47/51/68/569475168.db2.gz UDMZPHZIDUIKGD-UHFFFAOYSA-N 0 0 433.537 4.858 50 0 IJAARN COc1ccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(Cl)c3)nc2C)cc1 ZINC000008771842 569475204 /nfs/dbraw/zinc/47/52/04/569475204.db2.gz FPPZJJDVPFVUAT-UHFFFAOYSA-N 0 0 444.944 4.730 50 0 IJAARN Cc1cc(CSC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)no1 ZINC000008777067 569475408 /nfs/dbraw/zinc/47/54/08/569475408.db2.gz QYUILYCHFKPZNW-GRSHGNNSSA-N 0 0 433.489 4.697 50 0 IJAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)c1cccs1 ZINC000008781760 569475700 /nfs/dbraw/zinc/47/57/00/569475700.db2.gz IQVCMMNVFKSMGJ-UHFFFAOYSA-N 0 0 432.548 4.579 50 0 IJAARN COc1ccc(OC)c(-c2cc3ccc(OC(=O)c4ccccc4OC)cc3oc2=O)c1 ZINC000008790014 569476006 /nfs/dbraw/zinc/47/60/06/569476006.db2.gz MUXPQDNBIRLOSE-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCCO1)occ3-c1ccccc1 ZINC000008791585 569476289 /nfs/dbraw/zinc/47/62/89/569476289.db2.gz FHXVQQUNNVGCTH-GOSISDBHSA-N 0 0 431.488 4.742 50 0 biogenic IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000008824972 569477266 /nfs/dbraw/zinc/47/72/66/569477266.db2.gz YCWFTNLUNRTSKX-UHFFFAOYSA-N 0 0 443.478 4.877 50 0 IJAARN O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000008825098 569477281 /nfs/dbraw/zinc/47/72/81/569477281.db2.gz LQGLWQGNRTULNZ-HXUWFJFHSA-N 0 0 429.501 4.615 50 0 IJAARN Cc1cc(C)n2c(nnc2S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000008825177 569477334 /nfs/dbraw/zinc/47/73/34/569477334.db2.gz SBRKHSXREPPAGP-JTQLQIEISA-N 0 0 429.855 4.533 50 0 IJAARN O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000008825574 569477388 /nfs/dbraw/zinc/47/73/88/569477388.db2.gz ZJEHAOSRQSRLBY-UHFFFAOYSA-N 0 0 441.439 4.701 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)s1 ZINC000008827397 569477623 /nfs/dbraw/zinc/47/76/23/569477623.db2.gz KIAZZQOJISYJME-KRWDZBQOSA-N 0 0 441.871 4.749 50 0 IJAARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c3cccc1c23 ZINC000008835895 569477985 /nfs/dbraw/zinc/47/79/85/569477985.db2.gz IEFPWCTXCYELRT-UHFFFAOYSA-N 0 0 430.485 4.785 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)cc1OC ZINC000008844359 569478605 /nfs/dbraw/zinc/47/86/05/569478605.db2.gz QISQYNCCUFHWJI-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1Cc1cccnc1 ZINC000008846043 569479022 /nfs/dbraw/zinc/47/90/22/569479022.db2.gz YSOSWHZSTFTBSI-HXUWFJFHSA-N 0 0 447.288 4.696 50 0 IJAARN COc1cc(CSc2nc(CC(=O)NCc3ccc(C)cc3)cs2)cc(OC)c1 ZINC000008853648 569479587 /nfs/dbraw/zinc/47/95/87/569479587.db2.gz ALNQVRKGLLWTRN-UHFFFAOYSA-N 0 0 428.579 4.620 50 0 IJAARN COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)o2)cc1 ZINC000008858699 569479877 /nfs/dbraw/zinc/47/98/77/569479877.db2.gz GXIWANYNVSDXOR-UHFFFAOYSA-N 0 0 426.538 4.872 50 0 IJAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)N1CCCC1=O ZINC000008861484 569480026 /nfs/dbraw/zinc/48/00/26/569480026.db2.gz AHQJGXRXDPKRRR-UHFFFAOYSA-N 0 0 448.592 4.768 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ncnc3ccccc32)cc1 ZINC000008862043 569480114 /nfs/dbraw/zinc/48/01/14/569480114.db2.gz SYIYFNWAXOMAOB-UHFFFAOYSA-N 0 0 444.516 4.622 50 0 IJAARN COC(=O)C1=CN(CCC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccs1 ZINC000008867214 569480268 /nfs/dbraw/zinc/48/02/68/569480268.db2.gz XPKVKOBVKVIXCU-UHFFFAOYSA-N 0 0 441.593 4.868 50 0 IJAARN COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)NC4CCCC4)nn3)s2)cc1 ZINC000008875758 569481038 /nfs/dbraw/zinc/48/10/38/569481038.db2.gz HBBBXFZYRUEFQA-UHFFFAOYSA-N 0 0 440.594 4.735 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008879672 569481378 /nfs/dbraw/zinc/48/13/78/569481378.db2.gz FLBXKYNPWUVGET-GOSISDBHSA-N 0 0 441.556 4.515 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ncc(-c2ccccc2)o1 ZINC000039482279 569481637 /nfs/dbraw/zinc/48/16/37/569481637.db2.gz PSXFPPZHOIIHET-JOCHJYFZSA-N 0 0 426.472 4.946 50 0 IJAARN CCOC(=O)N1CCN(CCO[C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000039476242 569481686 /nfs/dbraw/zinc/48/16/86/569481686.db2.gz QSKVQHJTXGBYJR-HXUWFJFHSA-N 0 0 447.000 4.879 50 0 IJAARN C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000039589008 569481815 /nfs/dbraw/zinc/48/18/15/569481815.db2.gz CKWISNPYZGZOSI-VIFPVBQESA-N 0 0 430.304 4.879 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)c1 ZINC000039844662 569481908 /nfs/dbraw/zinc/48/19/08/569481908.db2.gz PCDZTBGIURGRSU-UHFFFAOYSA-N 0 0 448.500 4.824 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000039984278 569482346 /nfs/dbraw/zinc/48/23/46/569482346.db2.gz USBCPZOGVYNLLI-GOSISDBHSA-N 0 0 438.578 4.919 50 0 IJAARN C[C@@H](S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000040018165 569482669 /nfs/dbraw/zinc/48/26/69/569482669.db2.gz MSBUWUSKZSQCAN-LSDHHAIUSA-N 0 0 434.569 4.508 50 0 IJAARN CCOc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000008884120 569483128 /nfs/dbraw/zinc/48/31/28/569483128.db2.gz QHTPQMLRLHIATK-OAQYLSRUSA-N 0 0 443.565 4.565 50 0 IJAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000040034732 569483280 /nfs/dbraw/zinc/48/32/80/569483280.db2.gz WFJQRSYCRDLQMM-IRLDBZIGSA-N 0 0 443.547 4.584 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008893474 569483586 /nfs/dbraw/zinc/48/35/86/569483586.db2.gz JOSBLUQENNGDFP-KRWDZBQOSA-N 0 0 430.533 4.656 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)c3ccccc3n2)o1 ZINC000040042943 569483606 /nfs/dbraw/zinc/48/36/06/569483606.db2.gz ZFBPMSWUGHZSKK-UHFFFAOYSA-N 0 0 443.488 4.606 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc(Br)c1 ZINC000008894257 569483612 /nfs/dbraw/zinc/48/36/12/569483612.db2.gz FGWIKJNDIKXCLW-UHFFFAOYSA-N 0 0 435.372 4.835 50 0 IJAARN CCC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000040049544 569483906 /nfs/dbraw/zinc/48/39/06/569483906.db2.gz KFVKBNSOMDUUBB-UHFFFAOYSA-N 0 0 434.311 4.666 50 0 IJAARN Cc1cc(C)nc(SCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000040049261 569483899 /nfs/dbraw/zinc/48/38/99/569483899.db2.gz OOILPYSIEMAHLR-SFHVURJKSA-N 0 0 434.565 4.657 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000040049983 569484132 /nfs/dbraw/zinc/48/41/32/569484132.db2.gz ADQDOIKOXIQJEL-UHFFFAOYSA-N 0 0 446.934 4.606 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2CC(=O)NCCC2=CCCCC2)cc1 ZINC000008913156 569485238 /nfs/dbraw/zinc/48/52/38/569485238.db2.gz URKLSUNPHOZBRZ-UHFFFAOYSA-N 0 0 436.581 4.739 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1nc(SC(C)C)ncc1Cl)CCCC2 ZINC000008916270 569485750 /nfs/dbraw/zinc/48/57/50/569485750.db2.gz FJPDKFORLUZWFM-UHFFFAOYSA-N 0 0 425.963 4.610 50 0 IJAARN Cc1cc2nc(Sc3nnc(-c4cccnc4)n3Cc3ccco3)c3ccccc3n2n1 ZINC000040071547 569485824 /nfs/dbraw/zinc/48/58/24/569485824.db2.gz MOFHGKULORGKFC-UHFFFAOYSA-N 0 0 439.504 4.637 50 0 IJAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c(OC)c1 ZINC000008917605 569486051 /nfs/dbraw/zinc/48/60/51/569486051.db2.gz WIXKUDZAZYNBDJ-UHFFFAOYSA-N 0 0 433.892 4.831 50 0 IJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@](=O)C3)c1C ZINC000008918903 569486421 /nfs/dbraw/zinc/48/64/21/569486421.db2.gz GCQVYDCYQQNQRI-SSEXGKCCSA-N 0 0 433.455 4.523 50 0 IJAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@@](=O)C2 ZINC000008919764 569486495 /nfs/dbraw/zinc/48/64/95/569486495.db2.gz WBNJCAIJWPRWNM-YTTGMZPUSA-N 0 0 441.556 4.714 50 0 IJAARN COc1cc(NC(=O)c2ccc(C)c(F)c2)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000040087645 569486731 /nfs/dbraw/zinc/48/67/31/569486731.db2.gz XHJMXYJZROLZMW-HOTGVXAUSA-N 0 0 428.504 4.807 50 0 IJAARN CC(C)c1ccc(C(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000008921848 569486895 /nfs/dbraw/zinc/48/68/95/569486895.db2.gz IABVJBSXLJBMDH-UHFFFAOYSA-N 0 0 425.550 4.564 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000008922998 569486973 /nfs/dbraw/zinc/48/69/73/569486973.db2.gz DUVBTSXVCLWYQJ-IRLDBZIGSA-N 0 0 447.608 4.662 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008924246 569487167 /nfs/dbraw/zinc/48/71/67/569487167.db2.gz KVGLJVYMORDTMZ-UHFFFAOYSA-N 0 0 441.940 4.654 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1Cl ZINC000040090602 569487431 /nfs/dbraw/zinc/48/74/31/569487431.db2.gz WVTWYYIHRLVPDI-UHFFFAOYSA-N 0 0 427.701 4.976 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(SCc2ccc(C)cc2)n1 ZINC000008936922 569488080 /nfs/dbraw/zinc/48/80/80/569488080.db2.gz NERQXNMFZNHCEC-UHFFFAOYSA-N 0 0 441.578 4.892 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000008942030 569488706 /nfs/dbraw/zinc/48/87/06/569488706.db2.gz VMNAQYUTTAMDON-JKSUJKDBSA-N 0 0 436.537 4.816 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 ZINC000040121953 569489608 /nfs/dbraw/zinc/48/96/08/569489608.db2.gz SLGXSNUDPTZWJQ-QGZVFWFLSA-N 0 0 435.572 4.594 50 0 IJAARN COC(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000040123059 569489690 /nfs/dbraw/zinc/48/96/90/569489690.db2.gz UKMHKYGQWSEWRQ-KRWDZBQOSA-N 0 0 446.507 4.678 50 0 IJAARN CCCCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008951860 569489959 /nfs/dbraw/zinc/48/99/59/569489959.db2.gz OQEQOEKZETZOAR-CJAUYULYSA-N 0 0 435.955 4.653 50 0 biogenic IJAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)Nc1ccc(C)c(Cl)c1)c2=O ZINC000008955583 569490192 /nfs/dbraw/zinc/49/01/92/569490192.db2.gz CWYXTXGANJVZNS-UHFFFAOYSA-N 0 0 442.903 4.568 50 0 IJAARN CCCN1c2cc(NC(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000008959691 569490331 /nfs/dbraw/zinc/49/03/31/569490331.db2.gz JWFJKTJUUQFCNM-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN CCc1nc2ccc(C(=O)N3CCC(N4c5ccccc5C[C@@H]4C)CC3)cc2nc1CC ZINC000040135625 569490664 /nfs/dbraw/zinc/49/06/64/569490664.db2.gz XZODAMOMETWBGD-SFHVURJKSA-N 0 0 428.580 4.810 50 0 IJAARN CCc1nc2ccc(C(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2nc1CC ZINC000040135626 569490687 /nfs/dbraw/zinc/49/06/87/569490687.db2.gz XZODAMOMETWBGD-GOSISDBHSA-N 0 0 428.580 4.810 50 0 IJAARN COc1cccc(-n2ccnc2SCC(=O)c2ccc(NC(C)=O)c(SC)c2)c1 ZINC000040139015 569490793 /nfs/dbraw/zinc/49/07/93/569490793.db2.gz PSUJOHVOHMWLSD-UHFFFAOYSA-N 0 0 427.551 4.536 50 0 IJAARN CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965289 569491394 /nfs/dbraw/zinc/49/13/94/569491394.db2.gz UMLURUBHCWJIOK-KOSHJBKYSA-N 0 0 442.563 4.675 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc2ccccc2n1 ZINC000040141398 569491721 /nfs/dbraw/zinc/49/17/21/569491721.db2.gz GSTVWGXBNAMKHE-UHFFFAOYSA-N 0 0 425.414 4.632 50 0 IJAARN COc1cc([C@@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1OCc1ccncc1 ZINC000040145825 569492156 /nfs/dbraw/zinc/49/21/56/569492156.db2.gz IZCZTVWUPFASLS-GOSISDBHSA-N 0 0 442.519 4.720 50 0 IJAARN CN(c1ccc(NC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1F)C1CCCCC1 ZINC000040145978 569492209 /nfs/dbraw/zinc/49/22/09/569492209.db2.gz CREIRWQQUVWZEE-OAHLLOKOSA-N 0 0 430.490 4.600 50 0 IJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000040156295 569494076 /nfs/dbraw/zinc/49/40/76/569494076.db2.gz GSQPAPCKDJBENX-UHFFFAOYSA-N 0 0 436.943 4.689 50 0 IJAARN O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000040156290 569494105 /nfs/dbraw/zinc/49/41/05/569494105.db2.gz IKDMQTPSOBSIAY-UHFFFAOYSA-N 0 0 449.576 4.612 50 0 IJAARN O=C(Nc1cnc(-c2cccc(F)c2)nc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000040156842 569494152 /nfs/dbraw/zinc/49/41/52/569494152.db2.gz QJUBYXOPMWPXCI-UHFFFAOYSA-N 0 0 436.450 4.783 50 0 IJAARN Cc1cc(C)cc(OCCN(C)C(=O)c2c3c(sc2NC(=O)c2ccco2)CCC3)c1 ZINC000040157353 569494287 /nfs/dbraw/zinc/49/42/87/569494287.db2.gz FMKOHCYEXLRACF-UHFFFAOYSA-N 0 0 438.549 4.850 50 0 IJAARN CCc1ccccc1O[C@H]1C(=O)N(Cc2cccc(NC(C)=O)c2)[C@@H]1c1cccc(OC)c1 ZINC000040157776 569494359 /nfs/dbraw/zinc/49/43/59/569494359.db2.gz VYQXULRNMRVOOQ-CLJLJLNGSA-N 0 0 444.531 4.747 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N(C)c3c(F)cccc3F)cc2)c1 ZINC000040157904 569494393 /nfs/dbraw/zinc/49/43/93/569494393.db2.gz MLYYIBBSQRHBQV-UHFFFAOYSA-N 0 0 431.460 4.626 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC000008987967 569494915 /nfs/dbraw/zinc/49/49/15/569494915.db2.gz HTOUKNRQVMKPHS-UHFFFAOYSA-N 0 0 425.868 4.606 50 0 IJAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)c(C)c2oc1=O ZINC000009033678 569497144 /nfs/dbraw/zinc/49/71/44/569497144.db2.gz FZJLVKMIBIIDIO-UHFFFAOYSA-N 0 0 430.456 4.540 50 0 biogenic IJAARN COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C(C)C)n2)cc1 ZINC000009095264 569501327 /nfs/dbraw/zinc/50/13/27/569501327.db2.gz BJSNQQVXOYHYFN-OAHLLOKOSA-N 0 0 429.904 4.603 50 0 IJAARN Cc1nc2[nH]c(SCC(=O)Nc3cccc4ccccc43)nc2cc1Br ZINC000009108644 569501922 /nfs/dbraw/zinc/50/19/22/569501922.db2.gz DWOMOTNQYLQXSA-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(Br)s1 ZINC000009112189 569502384 /nfs/dbraw/zinc/50/23/84/569502384.db2.gz CLLOIWLRMBPGDN-UHFFFAOYSA-N 0 0 442.741 4.770 50 0 IJAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000009116303 569502932 /nfs/dbraw/zinc/50/29/32/569502932.db2.gz WNADYMXREBRLGL-UHFFFAOYSA-N 0 0 449.557 4.891 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)CC2)cc1 ZINC000009117270 569503117 /nfs/dbraw/zinc/50/31/17/569503117.db2.gz KEOOVBHTGINYEK-UHFFFAOYSA-N 0 0 447.564 4.630 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000009117807 569503227 /nfs/dbraw/zinc/50/32/27/569503227.db2.gz ZIZAUIPFTIRIQQ-QHCPKHFHSA-N 0 0 448.526 4.505 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000009118996 569503452 /nfs/dbraw/zinc/50/34/52/569503452.db2.gz FIUACFHNYSALDB-UHFFFAOYSA-N 0 0 430.545 4.620 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@H]1C)c1ccccc1 ZINC000245329268 569504029 /nfs/dbraw/zinc/50/40/29/569504029.db2.gz SCZGKSHNSOVJLA-CTNGQTDRSA-N 0 0 446.551 4.508 50 0 IJAARN COc1cc(CC(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000009127672 569505188 /nfs/dbraw/zinc/50/51/88/569505188.db2.gz GYZPSMNKWCQCKL-UHFFFAOYSA-N 0 0 449.532 4.921 50 0 IJAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(-c2ccccc2)cc1 ZINC000009128840 569505484 /nfs/dbraw/zinc/50/54/84/569505484.db2.gz WPIKTCSKNUGBMR-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1Cl ZINC000009129524 569505765 /nfs/dbraw/zinc/50/57/65/569505765.db2.gz WMYJTOURZOAVJZ-NRFANRHFSA-N 0 0 439.943 4.536 50 0 IJAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc3ccccc3c2)cc1 ZINC000009130575 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O=C1OC(c2ccccc2F)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000009186395 569510172 /nfs/dbraw/zinc/51/01/72/569510172.db2.gz NAKQLRPCHXALKN-QJOMJCCJSA-N 0 0 427.387 4.703 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000009186043 569510175 /nfs/dbraw/zinc/51/01/75/569510175.db2.gz KELXLAXVMUJZDB-UHFFFAOYSA-N 0 0 440.594 4.798 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009187028 569510231 /nfs/dbraw/zinc/51/02/31/569510231.db2.gz PKSVZBCGMMPKEL-OAQYLSRUSA-N 0 0 434.423 4.767 50 0 IJAARN O=C(Nc1ccccc1Br)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000009187541 569510424 /nfs/dbraw/zinc/51/04/24/569510424.db2.gz CRKPAXAHVOJEQD-UHFFFAOYSA-N 0 0 440.341 4.604 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000009204018 569511320 /nfs/dbraw/zinc/51/13/20/569511320.db2.gz QZTFSYSMJPTOAX-UHFFFAOYSA-N 0 0 446.557 4.856 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCS[C@H]1c1ccccc1F ZINC000009207519 569511448 /nfs/dbraw/zinc/51/14/48/569511448.db2.gz SCLYTNGKLCQCPN-NRFANRHFSA-N 0 0 440.569 4.650 50 0 IJAARN CCCCN1C(=O)[C@H]2CS[C@@H](c3ccc(OC)c(COc4ccccc4F)c3)N2C1=O ZINC000009215982 569512116 /nfs/dbraw/zinc/51/21/16/569512116.db2.gz NOWUBPCUQAMEMO-GCJKJVERSA-N 0 0 444.528 4.592 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000009227701 569513470 /nfs/dbraw/zinc/51/34/70/569513470.db2.gz QIBDLUHHLPUUJM-JOCHJYFZSA-N 0 0 436.577 4.750 50 0 IJAARN CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000009228162 569513542 /nfs/dbraw/zinc/51/35/42/569513542.db2.gz QTEMERKYBVVPDC-UHFFFAOYSA-N 0 0 430.508 4.839 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009236921 569514195 /nfs/dbraw/zinc/51/41/95/569514195.db2.gz RZBSGOXCJDMENS-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009238230 569514243 /nfs/dbraw/zinc/51/42/43/569514243.db2.gz LDDYAFVIPBSTHU-RTWAWAEBSA-N 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CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009240030 569514614 /nfs/dbraw/zinc/51/46/14/569514614.db2.gz YMOMJCOHQYCIBS-QHCPKHFHSA-N 0 0 440.499 4.949 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@H](NC(=O)c1ccccc1)C(C)C ZINC000009245792 569515415 /nfs/dbraw/zinc/51/54/15/569515415.db2.gz ORMMQKIGRAMYPA-HSZRJFAPSA-N 0 0 436.577 4.740 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250068 569515632 /nfs/dbraw/zinc/51/56/32/569515632.db2.gz JBPISHXDRQNRAQ-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN COc1ccc(Br)cc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1 ZINC000009250749 569515790 /nfs/dbraw/zinc/51/57/90/569515790.db2.gz BVPXHWBITRSMEC-IBGZPJMESA-N 0 0 444.354 4.727 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(N(CC)CC)cc1C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000009251483 569515921 /nfs/dbraw/zinc/51/59/21/569515921.db2.gz ISGRGIAGPZDNDE-QFIPXVFZSA-N 0 0 445.567 4.702 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1C ZINC000009253128 569516148 /nfs/dbraw/zinc/51/61/48/569516148.db2.gz NPQSBUGKBYKJGK-UHFFFAOYSA-N 0 0 431.517 4.508 50 0 IJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)c1 ZINC000009268290 569517542 /nfs/dbraw/zinc/51/75/42/569517542.db2.gz YQHWCMYAGQOAKR-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3OC)c3ncnn32)cc1 ZINC000009288995 569519496 /nfs/dbraw/zinc/51/94/96/569519496.db2.gz PPLBGACHIJKNBQ-DHIUTWEWSA-N 0 0 440.503 4.677 50 0 IJAARN CC[C@H](C(=O)NCCc1ccc(Cl)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289176 569519548 /nfs/dbraw/zinc/51/95/48/569519548.db2.gz PNZUNWWOQQBGRB-GOSISDBHSA-N 0 0 439.968 4.883 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@H](CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289457 569519599 /nfs/dbraw/zinc/51/95/99/569519599.db2.gz PTKSYHAZJOCDML-SFHVURJKSA-N 0 0 435.549 4.586 50 0 IJAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009292012 569519918 /nfs/dbraw/zinc/51/99/18/569519918.db2.gz VOJIKKIHFNFQCI-DHIUTWEWSA-N 0 0 427.895 4.848 50 0 IJAARN CCCCOc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000009293326 569520235 /nfs/dbraw/zinc/52/02/35/569520235.db2.gz WHOWHAZNODELFP-UHFFFAOYSA-N 0 0 431.540 4.721 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000009304804 569521185 /nfs/dbraw/zinc/52/11/85/569521185.db2.gz AFWDDKDQDXUDBS-HSZRJFAPSA-N 0 0 445.471 4.765 50 0 IJAARN O=C(C1CCOCC1)N1CCCCC[C@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000069842486 569521284 /nfs/dbraw/zinc/52/12/84/569521284.db2.gz WLBJATSDSYOELI-QHCPKHFHSA-N 0 0 436.999 4.889 50 0 IJAARN Nc1nc2c(sc3nc4c(c(-c5ccc(Br)cc5)c32)CCCC4)c(N)n1 ZINC000009307185 569521385 /nfs/dbraw/zinc/52/13/85/569521385.db2.gz TZHLRUBVTSHYQY-UHFFFAOYSA-N 0 0 426.343 4.712 50 0 IJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NCCCO)n1 ZINC000009307550 569521416 /nfs/dbraw/zinc/52/14/16/569521416.db2.gz AZMROJHGZCXMFE-UHFFFAOYSA-N 0 0 446.642 4.806 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000009308096 569521423 /nfs/dbraw/zinc/52/14/23/569521423.db2.gz JFBYZOCFUGMXNC-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000009315002 569522051 /nfs/dbraw/zinc/52/20/51/569522051.db2.gz FOVVLARYUVFKNB-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN Cn1ccnc1[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009318833 569522447 /nfs/dbraw/zinc/52/24/47/569522447.db2.gz VYKMSAHWYSRWTP-LJQANCHMSA-N 0 0 433.878 4.543 50 0 IJAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1 ZINC000009319718 569522582 /nfs/dbraw/zinc/52/25/82/569522582.db2.gz NILFXTQLHHJBOZ-UHFFFAOYSA-N 0 0 437.887 4.513 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000009324354 569522710 /nfs/dbraw/zinc/52/27/10/569522710.db2.gz IOFGCJABCSACEI-UHFFFAOYSA-N 0 0 434.930 4.914 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C(F)(F)F)cc1 ZINC000009335550 569523330 /nfs/dbraw/zinc/52/33/30/569523330.db2.gz AWMOTJUOQSEVMW-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009348817 569524567 /nfs/dbraw/zinc/52/45/67/569524567.db2.gz DVBUNZWJNIQWJF-IZILLXMLSA-N 0 0 441.940 4.525 50 0 IJAARN COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1OC ZINC000009355460 569525214 /nfs/dbraw/zinc/52/52/14/569525214.db2.gz MOGFTQQZGLXRPW-SANMLTNESA-N 0 0 426.516 4.983 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)COc3ccccc3C)C3CCCCC3)n2)cc1 ZINC000009355736 569525264 /nfs/dbraw/zinc/52/52/64/569525264.db2.gz ZOJRXIGVLGUQJJ-UHFFFAOYSA-N 0 0 435.524 4.794 50 0 IJAARN CCCCSc1nnc(CNC(=O)c2ccccc2)n1-c1ccc(Br)cc1 ZINC000009368967 569526691 /nfs/dbraw/zinc/52/66/91/569526691.db2.gz UCJWLGKCVLJKKX-UHFFFAOYSA-N 0 0 445.386 4.852 50 0 IJAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000009373032 569526987 /nfs/dbraw/zinc/52/69/87/569526987.db2.gz KTBQRWWANPXTFW-SANMLTNESA-N 0 0 443.503 4.665 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ncc(-c5ccc(F)cc5)o4)C3=O)ccc2c1 ZINC000009376017 569527284 /nfs/dbraw/zinc/52/72/84/569527284.db2.gz AJBQIEXTZACWDR-VWLOTQADSA-N 0 0 445.450 4.610 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000009377389 569527467 /nfs/dbraw/zinc/52/74/67/569527467.db2.gz SLZOZRZVQUDQQM-UHFFFAOYSA-N 0 0 444.535 4.662 50 0 IJAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000009380427 569527939 /nfs/dbraw/zinc/52/79/39/569527939.db2.gz FPZZNWRGTJCUFP-XMMPIXPASA-N 0 0 429.451 4.983 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009385866 569528438 /nfs/dbraw/zinc/52/84/38/569528438.db2.gz VBFAVCPEXDJPQA-NRFANRHFSA-N 0 0 449.595 4.921 50 0 IJAARN COc1ccc(C(=O)NCc2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000009390710 569528761 /nfs/dbraw/zinc/52/87/61/569528761.db2.gz OOUIQJGSFRNDJZ-UHFFFAOYSA-N 0 0 448.523 4.637 50 0 IJAARN O=C(COc1ccc2ccccc2c1)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000009391022 569528810 /nfs/dbraw/zinc/52/88/10/569528810.db2.gz DFGHVRQFIDHYRB-UHFFFAOYSA-N 0 0 435.530 4.684 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1OC ZINC000009390985 569528856 /nfs/dbraw/zinc/52/88/56/569528856.db2.gz QKOIXLRCTVBGOL-JXMROGBWSA-N 0 0 435.549 4.905 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)n2CC ZINC000009403726 569529508 /nfs/dbraw/zinc/52/95/08/569529508.db2.gz ZPKJPSUBRFLTHS-HNNXBMFYSA-N 0 0 439.537 4.555 50 0 IJAARN O=C(Nc1ccc(Br)cc1)C(=O)c1c(-c2ccccc2)nc2sccn21 ZINC000009403738 569529529 /nfs/dbraw/zinc/52/95/29/569529529.db2.gz YBPSJZNACYXSFT-UHFFFAOYSA-N 0 0 426.295 4.647 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C ZINC000009403981 569529554 /nfs/dbraw/zinc/52/95/54/569529554.db2.gz HXKQGIISWCDXTM-UHFFFAOYSA-N 0 0 425.535 4.785 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)c12 ZINC000009407804 569530345 /nfs/dbraw/zinc/53/03/45/569530345.db2.gz WEUAFFYNHKROEZ-UHFFFAOYSA-N 0 0 428.492 4.646 50 0 IJAARN CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1 ZINC000009409030 569530840 /nfs/dbraw/zinc/53/08/40/569530840.db2.gz LGLOGIFWILELKU-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)c1 ZINC000009409162 569530866 /nfs/dbraw/zinc/53/08/66/569530866.db2.gz VZFRXFULKISOAE-SANMLTNESA-N 0 0 439.515 4.969 50 0 IJAARN Cc1cccc(COc2ccc([C@@H]3CC(=O)Nc4nc(-c5ccccc5)[nH]c(=O)c43)cc2)c1 ZINC000009409463 569531059 /nfs/dbraw/zinc/53/10/59/569531059.db2.gz VFWFFQGMAOFAGU-QFIPXVFZSA-N 0 0 437.499 4.798 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 ZINC000009413350 569531697 /nfs/dbraw/zinc/53/16/97/569531697.db2.gz PRBILWMQJGBHHX-YTTGMZPUSA-N 0 0 445.544 4.747 50 0 IJAARN Cc1nc2sc3c(ncn(Cc4ccccc4Cl)c3=O)c2c2c1COC(C)(C)C2 ZINC000009422260 569532864 /nfs/dbraw/zinc/53/28/64/569532864.db2.gz HKLPRBBYSYYPPK-UHFFFAOYSA-N 0 0 425.941 4.868 50 0 IJAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ncccc3C)ccc2c1=O ZINC000009423600 569532960 /nfs/dbraw/zinc/53/29/60/569532960.db2.gz XLARFTBQAVFXBF-UHFFFAOYSA-N 0 0 446.459 4.623 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc21 ZINC000009427509 569533347 /nfs/dbraw/zinc/53/33/47/569533347.db2.gz PNNLPQWVBYWCJR-CQSZACIVSA-N 0 0 443.594 4.586 50 0 IJAARN CCCC1=C(C(=O)OCC)S[C@]2(SC(C(C)=O)=NN2c2cccc(Cl)c2)N1C ZINC000009430989 569534052 /nfs/dbraw/zinc/53/40/52/569534052.db2.gz OWJWBECETMSCTE-IBGZPJMESA-N 0 0 439.990 4.660 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]1c1cccs1 ZINC000009432776 569534483 /nfs/dbraw/zinc/53/44/83/569534483.db2.gz HWPRLQLVOYXSSI-GOTSBHOMSA-N 0 0 448.544 4.517 50 0 IJAARN COc1ccc(-n2cc(C(=O)N(C)c3cc(Cl)ccc3OC)c3ccccc3c2=O)cc1 ZINC000009433727 569534600 /nfs/dbraw/zinc/53/46/00/569534600.db2.gz ICPQGFDMASIXPE-UHFFFAOYSA-N 0 0 448.906 4.938 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000009449235 569536152 /nfs/dbraw/zinc/53/61/52/569536152.db2.gz NWDZRTYFZRNZTK-FQEVSTJZSA-N 0 0 436.533 4.995 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000009450976 569536357 /nfs/dbraw/zinc/53/63/57/569536357.db2.gz CXVCPDYLYUKKML-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN Clc1ccccc1OCc1nnc(SCc2nnc(-c3ccco3)o2)n1C1CC1 ZINC000009460129 569536886 /nfs/dbraw/zinc/53/68/86/569536886.db2.gz FMTAHUNTUWRGNJ-UHFFFAOYSA-N 0 0 429.889 4.781 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1c(C)cc(C)c(C(C)=O)c1C ZINC000009462056 569537258 /nfs/dbraw/zinc/53/72/58/569537258.db2.gz WTKLLBKDQIYTPY-UHFFFAOYSA-N 0 0 444.597 4.610 50 0 IJAARN Nn1c(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1C1CC1 ZINC000009463097 569537331 /nfs/dbraw/zinc/53/73/31/569537331.db2.gz YREVIYBLCQXUNS-INIZCTEOSA-N 0 0 434.352 4.648 50 0 IJAARN COc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2[C@@H](C)N2CCCCC2)cc1 ZINC000009464288 569537669 /nfs/dbraw/zinc/53/76/69/569537669.db2.gz LWZJCKRYXXJVIU-GOSISDBHSA-N 0 0 448.596 4.763 50 0 IJAARN OCCn1c(CSc2nc(C(F)(F)F)nc3ccccc32)nc2ccc(Cl)cc21 ZINC000009464751 569537778 /nfs/dbraw/zinc/53/77/78/569537778.db2.gz PGCMXIREGNUWPF-UHFFFAOYSA-N 0 0 438.862 4.936 50 0 IJAARN Cc1sc2[nH]c([C@@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)nc(=O)c2c1C ZINC000009466051 569538081 /nfs/dbraw/zinc/53/80/81/569538081.db2.gz VGFCWRBZIIZLRR-CQSZACIVSA-N 0 0 437.594 4.972 50 0 IJAARN C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009467301 569538396 /nfs/dbraw/zinc/53/83/96/569538396.db2.gz NCNWXFPRGIJCJZ-CPJSRVTESA-N 0 0 438.531 4.611 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000009477274 569539164 /nfs/dbraw/zinc/53/91/64/569539164.db2.gz CXBXOEOEHMAOID-HXUWFJFHSA-N 0 0 440.619 4.527 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1OC ZINC000009478582 569539379 /nfs/dbraw/zinc/53/93/79/569539379.db2.gz KUEIXXJLDFSUPW-UHFFFAOYSA-N 0 0 449.536 4.509 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009488690 569539946 /nfs/dbraw/zinc/53/99/46/569539946.db2.gz LLDXJAWHNLCLID-QFIPXVFZSA-N 0 0 446.459 4.555 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000009493254 569540676 /nfs/dbraw/zinc/54/06/76/569540676.db2.gz IZYSJLOJKDPWQD-UHFFFAOYSA-N 0 0 447.560 4.954 50 0 IJAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)c1cc(Cl)ccc1Cl ZINC000009493203 569540715 /nfs/dbraw/zinc/54/07/15/569540715.db2.gz QKBQMBIMHJKFEP-LLVKDONJSA-N 0 0 444.311 4.619 50 0 IJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000009498485 569541399 /nfs/dbraw/zinc/54/13/99/569541399.db2.gz LIEDUXGSSODNCD-MGPUTAFESA-N 0 0 441.528 4.635 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)on2)cc1 ZINC000009499829 569541493 /nfs/dbraw/zinc/54/14/93/569541493.db2.gz DVNLCRAMQOYEPB-UHFFFAOYSA-N 0 0 445.548 4.898 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccc(F)cc1 ZINC000009504933 569541868 /nfs/dbraw/zinc/54/18/68/569541868.db2.gz URCUYJXQIVDKBW-RUZDIDTESA-N 0 0 428.463 4.703 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nc(C)nc3scc(-c4cccs4)c32)o1 ZINC000009507040 569541898 /nfs/dbraw/zinc/54/18/98/569541898.db2.gz OJYAILXABQCFTP-UHFFFAOYSA-N 0 0 443.575 4.932 50 0 IJAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000009507424 569541994 /nfs/dbraw/zinc/54/19/94/569541994.db2.gz GJRIYQGLPXSMIW-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCc3ccccc32)cc1OC ZINC000009516150 569543414 /nfs/dbraw/zinc/54/34/14/569543414.db2.gz LOYQRLPLIWGIEX-UHFFFAOYSA-N 0 0 439.515 4.819 50 0 IJAARN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000009516676 569543532 /nfs/dbraw/zinc/54/35/32/569543532.db2.gz YPMVEIKRXXQJHC-UHFFFAOYSA-N 0 0 426.520 4.522 50 0 IJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2nc3ccccc3s2)c(C)c1 ZINC000009517763 569543820 /nfs/dbraw/zinc/54/38/20/569543820.db2.gz LKFQCJDCZOQJTF-UHFFFAOYSA-N 0 0 446.561 4.773 50 0 IJAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518461 569544075 /nfs/dbraw/zinc/54/40/75/569544075.db2.gz HPBZUSJGMLGERU-UHFFFAOYSA-N 0 0 430.416 4.675 50 0 IJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000009529382 569544815 /nfs/dbraw/zinc/54/48/15/569544815.db2.gz AGZIWBNKRVXNJW-FQEVSTJZSA-N 0 0 441.984 4.888 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3cccc(OC)c3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009531963 569545220 /nfs/dbraw/zinc/54/52/20/569545220.db2.gz KRMZCBZXYZCQHA-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN O=C([O-])c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1cccc(F)c1 ZINC000009531620 569545245 /nfs/dbraw/zinc/54/52/45/569545245.db2.gz OYFOSWFQEFAGEM-UHFFFAOYSA-N 0 0 432.451 4.545 50 0 IJAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3cccs3)c2C(=O)[O-])cc1 ZINC000009532319 569545327 /nfs/dbraw/zinc/54/53/27/569545327.db2.gz KQVCPTOCAUKKLJ-UHFFFAOYSA-N 0 0 436.533 4.756 50 0 IJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009533987 569545498 /nfs/dbraw/zinc/54/54/98/569545498.db2.gz NOMWMVZGDNFLPC-NRFANRHFSA-N 0 0 432.524 4.638 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1 ZINC000009536105 569545539 /nfs/dbraw/zinc/54/55/39/569545539.db2.gz LHDPFKATJGWQCG-HXUWFJFHSA-N 0 0 440.544 4.611 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H]5CCCC[C@H]54)c(=O)c23)s1 ZINC000009537286 569545593 /nfs/dbraw/zinc/54/55/93/569545593.db2.gz ZEMQJXGEXVGUJT-NVXWUHKLSA-N 0 0 427.595 4.676 50 0 IJAARN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000009540345 569545768 /nfs/dbraw/zinc/54/57/68/569545768.db2.gz KXBWKHJQOUNDAT-AWXXVTGVSA-N 0 0 432.564 4.568 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000009545656 569546135 /nfs/dbraw/zinc/54/61/35/569546135.db2.gz USRZVHAQZUDHFO-UHFFFAOYSA-N 0 0 430.533 4.886 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNc2ccc3ccccc3c2)c1 ZINC000009548841 569546578 /nfs/dbraw/zinc/54/65/78/569546578.db2.gz CXWCZBOENWIXSC-UHFFFAOYSA-N 0 0 445.544 4.716 50 0 IJAARN CC(C)N(C(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1)C(C)C ZINC000009555970 569546767 /nfs/dbraw/zinc/54/67/67/569546767.db2.gz KPNGZDGKZBKIGQ-UHFFFAOYSA-N 0 0 426.538 4.922 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(Cl)c2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559012 569546894 /nfs/dbraw/zinc/54/68/94/569546894.db2.gz PBYMTHICCBHDTJ-UHFFFAOYSA-N 0 0 446.956 4.960 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009568948 569547495 /nfs/dbraw/zinc/54/74/95/569547495.db2.gz GWSVTFOPAFKZBQ-UHFFFAOYSA-N 0 0 431.348 4.666 50 0 IJAARN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000009572439 569547746 /nfs/dbraw/zinc/54/77/46/569547746.db2.gz UMWOVRAJSCIJMB-UHFFFAOYSA-N 0 0 433.537 4.914 50 0 IJAARN CN(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000009573664 569547904 /nfs/dbraw/zinc/54/79/04/569547904.db2.gz JJJVHTFYVHQINA-UHFFFAOYSA-N 0 0 429.933 4.688 50 0 IJAARN Cc1oc2cc(OCC(=O)Nc3nccs3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000009575989 569548037 /nfs/dbraw/zinc/54/80/37/569548037.db2.gz FTQKJPRBQAYFTG-UHFFFAOYSA-N 0 0 426.881 4.896 50 0 IJAARN O=C(Nc1cccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1)c1cccs1 ZINC000009578240 569548300 /nfs/dbraw/zinc/54/83/00/569548300.db2.gz XQOBXQHRSWJRRR-UHFFFAOYSA-N 0 0 447.560 4.557 50 0 IJAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000009580303 569548761 /nfs/dbraw/zinc/54/87/61/569548761.db2.gz FSUBGDNCUMOTHZ-UHFFFAOYSA-N 0 0 428.514 4.523 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009584085 569549314 /nfs/dbraw/zinc/54/93/14/569549314.db2.gz PJRSPBJZBCFDJR-UHFFFAOYSA-N 0 0 448.548 4.524 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1nc2ccccc2s1 ZINC000009584336 569549369 /nfs/dbraw/zinc/54/93/69/569549369.db2.gz UJJFRQHSPRFHIZ-UHFFFAOYSA-N 0 0 430.533 4.619 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)NCCCCc1ccccc1 ZINC000009586700 569549719 /nfs/dbraw/zinc/54/97/19/569549719.db2.gz GYRKRDWIPWFRRM-UHFFFAOYSA-N 0 0 426.948 4.521 50 0 IJAARN CCOc1c(Br)cc(C(=O)Nc2nc3ccc(F)cc3s2)cc1OC ZINC000009588312 569549907 /nfs/dbraw/zinc/54/99/07/569549907.db2.gz FMLJLRLTZOYURL-UHFFFAOYSA-N 0 0 425.279 4.858 50 0 IJAARN O=C(OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2)c1ccccn1 ZINC000009588325 569549924 /nfs/dbraw/zinc/54/99/24/569549924.db2.gz VNMGUXALTLJVEY-NRFANRHFSA-N 0 0 426.266 4.809 50 0 IJAARN CCCCOc1ccc(-c2nnc3n2N=C(c2cc4ccccc4oc2=O)CS3)cc1 ZINC000009590778 569550011 /nfs/dbraw/zinc/55/00/11/569550011.db2.gz AJZJGGVITZSOGB-UHFFFAOYSA-N 0 0 432.505 4.589 50 0 IJAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)c2ccccc2OC)cc1 ZINC000009591219 569550167 /nfs/dbraw/zinc/55/01/67/569550167.db2.gz SCYXDFIKKVQCBM-UHFFFAOYSA-N 0 0 448.910 4.916 50 0 IJAARN O=C(CSc1nnc(NCc2ccco2)s1)Nc1nc(-c2ccccc2)cs1 ZINC000009593412 569550417 /nfs/dbraw/zinc/55/04/17/569550417.db2.gz IYMIHNHYKZWLQB-UHFFFAOYSA-N 0 0 429.552 4.598 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009598518 569551029 /nfs/dbraw/zinc/55/10/29/569551029.db2.gz KFBFLYPXRSGIFM-GOTSBHOMSA-N 0 0 432.907 4.824 50 0 IJAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O)N1CCc2ccccc21 ZINC000009608489 569552153 /nfs/dbraw/zinc/55/21/53/569552153.db2.gz ABYTXZRLGDWYCA-UHFFFAOYSA-N 0 0 431.419 4.693 50 0 IJAARN CCc1ccc(NC(=O)CCc2c(C)nc3nc(-c4cccc(OC)c4)nn3c2C)cc1 ZINC000009610344 569552517 /nfs/dbraw/zinc/55/25/17/569552517.db2.gz GIOHVMXKUOLZTB-UHFFFAOYSA-N 0 0 429.524 4.550 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1C ZINC000009610736 569552589 /nfs/dbraw/zinc/55/25/89/569552589.db2.gz HNVUTFMSEZWNDR-UHFFFAOYSA-N 0 0 443.474 4.808 50 0 IJAARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCC(=O)NC2CC2)c(C)c1 ZINC000009612665 569552890 /nfs/dbraw/zinc/55/28/90/569552890.db2.gz PLONOUBSKKERQL-UHFFFAOYSA-N 0 0 442.588 4.999 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cccnc1 ZINC000009616721 569553285 /nfs/dbraw/zinc/55/32/85/569553285.db2.gz UVSPFSAQUBZCKB-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009619035 569553338 /nfs/dbraw/zinc/55/33/38/569553338.db2.gz LGWHPUAEKANGEX-UHFFFAOYSA-N 0 0 428.872 4.628 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000009619546 569553387 /nfs/dbraw/zinc/55/33/87/569553387.db2.gz DAZIIYRXKGQZFV-UHFFFAOYSA-N 0 0 447.564 4.782 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(F)cc1Cl ZINC000009631667 569553806 /nfs/dbraw/zinc/55/38/06/569553806.db2.gz VWQZPJAUFQSRGK-UHFFFAOYSA-N 0 0 439.221 4.925 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000009632006 569553872 /nfs/dbraw/zinc/55/38/72/569553872.db2.gz KIQMYXYRJYMXGT-UHFFFAOYSA-N 0 0 430.411 4.675 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc32)nc2ccccc2c1=O ZINC000009632400 569553998 /nfs/dbraw/zinc/55/39/98/569553998.db2.gz DIUYBRUDLMQPKK-UHFFFAOYSA-N 0 0 441.512 4.851 50 0 IJAARN CC[C@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NC2CC2)cc1 ZINC000009632549 569554027 /nfs/dbraw/zinc/55/40/27/569554027.db2.gz VECPPKIOZOSXOW-AWEZNQCLSA-N 0 0 441.984 4.923 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N(C)C)cc1)oc1ccccc12 ZINC000009632899 569554113 /nfs/dbraw/zinc/55/41/13/569554113.db2.gz GGPHKGTVASSPSE-OAHLLOKOSA-N 0 0 432.476 4.845 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1C ZINC000009633083 569554192 /nfs/dbraw/zinc/55/41/92/569554192.db2.gz LZXWMDUPOARPBK-UHFFFAOYSA-N 0 0 446.576 4.747 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009633691 569554281 /nfs/dbraw/zinc/55/42/81/569554281.db2.gz ZPKRODWXVNVPLP-UHFFFAOYSA-N 0 0 428.539 4.696 50 0 IJAARN Cc1cc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2Oc2cccc(C)c2)no1 ZINC000009641669 569555698 /nfs/dbraw/zinc/55/56/98/569555698.db2.gz GPALFGJDDXXVQW-UHFFFAOYSA-N 0 0 441.553 4.870 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 ZINC000009644877 569556088 /nfs/dbraw/zinc/55/60/88/569556088.db2.gz TWLDFJLYXFMYEQ-UHFFFAOYSA-N 0 0 428.532 4.803 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000009659756 569556702 /nfs/dbraw/zinc/55/67/02/569556702.db2.gz GOIWCQDNUGBMDZ-UHFFFAOYSA-N 0 0 431.532 4.960 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000009662094 569557098 /nfs/dbraw/zinc/55/70/98/569557098.db2.gz FMEZVMGZZMUUTN-OXJNMPFZSA-N 0 0 440.569 4.706 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccccc3)nc3ccccc3c2=O)c(C)c1 ZINC000009666249 569557685 /nfs/dbraw/zinc/55/76/85/569557685.db2.gz POGOAZZHRJCRLP-IBGZPJMESA-N 0 0 443.572 4.972 50 0 IJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 ZINC000009666415 569557770 /nfs/dbraw/zinc/55/77/70/569557770.db2.gz DYLUEFSTUUJSSG-HXUWFJFHSA-N 0 0 440.293 4.995 50 0 IJAARN Cc1cccc(OCC(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1C ZINC000009668129 569557915 /nfs/dbraw/zinc/55/79/15/569557915.db2.gz IQTDJPGDPIFEHT-UHFFFAOYSA-N 0 0 431.989 4.839 50 0 IJAARN CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1ccc(OC)cc1 ZINC000009671919 569558651 /nfs/dbraw/zinc/55/86/51/569558651.db2.gz OOTXMGUSHQRQJF-UHFFFAOYSA-N 0 0 448.342 4.757 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(N4CCCC4=O)c3)c2n1 ZINC000009672752 569558863 /nfs/dbraw/zinc/55/88/63/569558863.db2.gz DADVDPYUIFAYCV-UHFFFAOYSA-N 0 0 444.318 4.994 50 0 IJAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009673990 569559021 /nfs/dbraw/zinc/55/90/21/569559021.db2.gz QFNHNWRJGJAPCA-UHFFFAOYSA-N 0 0 443.503 4.632 50 0 IJAARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000009674130 569559120 /nfs/dbraw/zinc/55/91/20/569559120.db2.gz CFRIRIWDZIJKGA-UHFFFAOYSA-N 0 0 449.532 4.762 50 0 IJAARN COCCCNC(=O)CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(OC)cc1 ZINC000009674176 569559167 /nfs/dbraw/zinc/55/91/67/569559167.db2.gz GLCCGESCJPSSTG-UHFFFAOYSA-N 0 0 445.972 4.651 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N(C)c3cccc(C)c3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682087 569560310 /nfs/dbraw/zinc/56/03/10/569560310.db2.gz DTYKHJSMGHDBIC-UHFFFAOYSA-N 0 0 436.515 4.771 50 0 IJAARN COc1ccc(CN(Cc2cccs2)C(=O)c2cc3c(c(Cl)c2)OCO3)cc1OC ZINC000009685104 569560662 /nfs/dbraw/zinc/56/06/62/569560662.db2.gz SYOJGWMCNKRIRB-UHFFFAOYSA-N 0 0 445.924 4.990 50 0 IJAARN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)s2)c1C ZINC000009686740 569560757 /nfs/dbraw/zinc/56/07/57/569560757.db2.gz PYSIFBQANWUVGR-UHFFFAOYSA-N 0 0 426.361 4.627 50 0 IJAARN CSc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)cc1 ZINC000009687409 569560762 /nfs/dbraw/zinc/56/07/62/569560762.db2.gz MZWQFLZRXAFISD-UHFFFAOYSA-N 0 0 433.581 4.657 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)n2)c1 ZINC000009686250 569560763 /nfs/dbraw/zinc/56/07/63/569560763.db2.gz VZTNSEYMXXVRJM-UHFFFAOYSA-N 0 0 438.534 4.910 50 0 IJAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCc1ccccc1Cl ZINC000009687726 569560778 /nfs/dbraw/zinc/56/07/78/569560778.db2.gz JUMDCPCNDMKGFU-UHFFFAOYSA-N 0 0 437.952 4.943 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1c(Cl)cccc1Cl ZINC000009707808 569561739 /nfs/dbraw/zinc/56/17/39/569561739.db2.gz XYXGYBGDTJYBKE-UHFFFAOYSA-N 0 0 434.308 4.689 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc2c(c1)OCCO2 ZINC000009711908 569562045 /nfs/dbraw/zinc/56/20/45/569562045.db2.gz XSBCWZLZYBDYSG-UHFFFAOYSA-N 0 0 439.533 4.769 50 0 IJAARN CCCCn1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O ZINC000009712152 569562206 /nfs/dbraw/zinc/56/22/06/569562206.db2.gz MWZSHQZBVIYNKJ-QGZVFWFLSA-N 0 0 446.576 4.826 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000009712673 569562322 /nfs/dbraw/zinc/56/23/22/569562322.db2.gz XPRAOQKNSLDHHW-UHFFFAOYSA-N 0 0 427.334 4.773 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1)c1ccc(C(C)C)cc1 ZINC000009723845 569563615 /nfs/dbraw/zinc/56/36/15/569563615.db2.gz XKCHIQMSPRVTSC-UHFFFAOYSA-N 0 0 441.553 4.557 50 0 IJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)N4CCC(c5ccccc5)=N4)o3)cc2C1 ZINC000009724296 569563705 /nfs/dbraw/zinc/56/37/05/569563705.db2.gz OCJOHDQISIDKGZ-AWEZNQCLSA-N 0 0 438.578 4.652 50 0 IJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000009727629 569564078 /nfs/dbraw/zinc/56/40/78/569564078.db2.gz FACIARVAVSRNBK-DEOSSOPVSA-N 0 0 436.895 4.622 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000009730012 569564357 /nfs/dbraw/zinc/56/43/57/569564357.db2.gz WOMVHMNYPFIZFI-HNNXBMFYSA-N 0 0 437.544 4.794 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2C2CC2)cs1)c1c(C)cc(C)cc1Cl ZINC000009730221 569564412 /nfs/dbraw/zinc/56/44/12/569564412.db2.gz CXIKTQVGVHSPQF-UHFFFAOYSA-N 0 0 434.978 4.712 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCCC3=O)cc12 ZINC000009730278 569564385 /nfs/dbraw/zinc/56/43/85/569564385.db2.gz XBLQHCIMQWOAKM-UHFFFAOYSA-N 0 0 448.523 4.973 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1c(-c2ccccc2)nc2sccn12 ZINC000009731575 569564635 /nfs/dbraw/zinc/56/46/35/569564635.db2.gz MOQWNAMAFUPTFR-UHFFFAOYSA-N 0 0 440.956 4.795 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731643 569564685 /nfs/dbraw/zinc/56/46/85/569564685.db2.gz SUANHQWZAKHHTJ-UHFFFAOYSA-N 0 0 438.332 4.533 50 0 IJAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009743764 569565548 /nfs/dbraw/zinc/56/55/48/569565548.db2.gz UEFWHHRDXZFXOK-UHFFFAOYSA-N 0 0 443.554 4.538 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccccc2OC)nc2c3ccccc3oc2c1=O ZINC000009749253 569566020 /nfs/dbraw/zinc/56/60/20/569566020.db2.gz WZTHLMCDXFDYAU-UHFFFAOYSA-N 0 0 437.521 4.682 50 0 IJAARN CC(C)CCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3oc2c1=O ZINC000009751497 569566038 /nfs/dbraw/zinc/56/60/38/569566038.db2.gz YAMOEBANKXXYDL-UHFFFAOYSA-N 0 0 449.576 4.640 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009766971 569566910 /nfs/dbraw/zinc/56/69/10/569566910.db2.gz SSSFZMSEAUXIEP-UHFFFAOYSA-N 0 0 436.515 4.978 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776624 569567032 /nfs/dbraw/zinc/56/70/32/569567032.db2.gz DYXBNYYLXSBSBO-VWNXMTODSA-N 0 0 434.467 4.576 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000009779530 569567394 /nfs/dbraw/zinc/56/73/94/569567394.db2.gz RXKSTWBEQSRUBA-QGZVFWFLSA-N 0 0 432.593 4.993 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 ZINC000009797669 569568511 /nfs/dbraw/zinc/56/85/11/569568511.db2.gz YQHOOONMANWJLQ-UHFFFAOYSA-N 0 0 432.524 4.728 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nnc(-c2cccs2)o1 ZINC000009799437 569568624 /nfs/dbraw/zinc/56/86/24/569568624.db2.gz MEMGUFRDTZSTAG-QMMMGPOBSA-N 0 0 439.353 4.931 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000009818304 569569356 /nfs/dbraw/zinc/56/93/56/569569356.db2.gz BJSFXTQXQDXWAK-UHFFFAOYSA-N 0 0 447.391 4.919 50 0 IJAARN O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000009829736 569570141 /nfs/dbraw/zinc/57/01/41/569570141.db2.gz NPKXZLLWPGDREO-UHFFFAOYSA-N 0 0 431.517 4.629 50 0 IJAARN CC(C)OCCCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009850455 569571389 /nfs/dbraw/zinc/57/13/89/569571389.db2.gz BHIDEVVUVCESQE-IEBWSBKVSA-N 0 0 443.009 4.622 50 0 IJAARN Cc1csc2nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n12 ZINC000009858771 569571719 /nfs/dbraw/zinc/57/17/19/569571719.db2.gz VKLVCDKIRABPNV-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1csc(-c2ccccc2)n1 ZINC000009863646 569572081 /nfs/dbraw/zinc/57/20/81/569572081.db2.gz BKNOODSOFLIVLV-UHFFFAOYSA-N 0 0 430.371 4.952 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009867703 569572271 /nfs/dbraw/zinc/57/22/71/569572271.db2.gz LSGNLRMORVVOQD-INIZCTEOSA-N 0 0 440.525 4.941 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N1CCS[C@@H]1c1ccccc1F ZINC000009871093 569572392 /nfs/dbraw/zinc/57/23/92/569572392.db2.gz RIVKVOJWGTVQRI-HXUWFJFHSA-N 0 0 440.525 4.723 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000009911362 569573214 /nfs/dbraw/zinc/57/32/14/569573214.db2.gz CLVDUDVLZYZYPH-UHFFFAOYSA-N 0 0 427.547 4.853 50 0 IJAARN COc1ccc(C(C)=O)cc1CSCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000009912444 569573265 /nfs/dbraw/zinc/57/32/65/569573265.db2.gz KQCPFWIJUQSIPA-UHFFFAOYSA-N 0 0 426.365 4.797 50 0 IJAARN COc1ccccc1CNC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000009924812 569573561 /nfs/dbraw/zinc/57/35/61/569573561.db2.gz LQKUJHWJWKWYIX-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000009952461 569574558 /nfs/dbraw/zinc/57/45/58/569574558.db2.gz HCSUGAPXPGDMIE-HOTGVXAUSA-N 0 0 438.572 4.881 50 0 IJAARN COCCCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009952840 569574607 /nfs/dbraw/zinc/57/46/07/569574607.db2.gz HRAZGXFUFUITRZ-UHFFFAOYSA-N 0 0 431.945 4.619 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)n2C[C@H]2CCCO2)cc1 ZINC000009953241 569574713 /nfs/dbraw/zinc/57/47/13/569574713.db2.gz LWYCJOLLOBURAU-JOCHJYFZSA-N 0 0 449.576 4.596 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2OC)c1 ZINC000009958673 569574939 /nfs/dbraw/zinc/57/49/39/569574939.db2.gz RGWMWKSZHHJYAF-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(OC)c2)c1 ZINC000009958748 569574952 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O=C(COc1ccccc1)Nc1ccc([C@@H]2CC2(Br)Br)cc1 ZINC000009972091 569576384 /nfs/dbraw/zinc/57/63/84/569576384.db2.gz AAXNVDKAZGFCGT-HNNXBMFYSA-N 0 0 425.120 4.678 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)c4ccccc4Cl)ccc32)cc1 ZINC000010013998 569577104 /nfs/dbraw/zinc/57/71/04/569577104.db2.gz VKJWYRPBPJCTAM-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)COc2ccc(Cl)cc2C)cs1 ZINC000010022844 569577283 /nfs/dbraw/zinc/57/72/83/569577283.db2.gz WJWIPAOTZSLTCB-UHFFFAOYSA-N 0 0 444.940 4.717 50 0 IJAARN O=C(CNc1ccccc1N1CCCC1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000010037676 569577455 /nfs/dbraw/zinc/57/74/55/569577455.db2.gz LTYTUEKVWVCQKD-VWLOTQADSA-N 0 0 433.939 4.785 50 0 IJAARN COc1cccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1OC ZINC000010186526 569578352 /nfs/dbraw/zinc/57/83/52/569578352.db2.gz NDBSGWDGOAGMCW-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cccn(Cc2ccccc2Cl)c1=O ZINC000010187780 569578681 /nfs/dbraw/zinc/57/86/81/569578681.db2.gz 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O=C(N[C@H](c1cccs1)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000010289625 569580556 /nfs/dbraw/zinc/58/05/56/569580556.db2.gz GPUDZNRHAYFYAD-QFIPXVFZSA-N 0 0 440.515 4.784 50 0 IJAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCc2ccccc2F)cc1OC ZINC000010429326 569582037 /nfs/dbraw/zinc/58/20/37/569582037.db2.gz PICSJJBTEOSOKJ-UHFFFAOYSA-N 0 0 445.494 4.668 50 0 IJAARN COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)c1 ZINC000010433621 569582100 /nfs/dbraw/zinc/58/21/00/569582100.db2.gz BAMWROISNKAOQY-UHFFFAOYSA-N 0 0 426.513 4.776 50 0 IJAARN COCCc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1 ZINC000010448606 569582320 /nfs/dbraw/zinc/58/23/20/569582320.db2.gz WGRCADSAPJOWET-UHFFFAOYSA-N 0 0 435.553 4.885 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cnc2ccccc2n1 ZINC000071877801 569582664 /nfs/dbraw/zinc/58/26/64/569582664.db2.gz UKVFHMQYZFUHKF-IBGZPJMESA-N 0 0 429.307 4.570 50 0 IJAARN COc1ccc([C@H]2c3cnn(C(C)(C)C)c3Nc3[nH]c(=O)n(-c4ccc(F)cc4)c32)cc1 ZINC000078546669 569586699 /nfs/dbraw/zinc/58/66/99/569586699.db2.gz FVQVAWZSAUIDSB-VQTJNVASSA-N 0 0 433.487 4.751 50 0 IJAARN Cc1ccc(C(=O)NCc2cccc(F)c2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034729040 569587529 /nfs/dbraw/zinc/58/75/29/569587529.db2.gz DVPIJRRLSHUBHN-UHFFFAOYSA-N 0 0 449.501 4.618 50 0 IJAARN NC1=C(c2nc(-c3cccc(C(F)(F)F)c3)cs2)C(=O)CN1Cc1ccc(F)cc1 ZINC000034770036 569587665 /nfs/dbraw/zinc/58/76/65/569587665.db2.gz GEPCRQDGCJYJRL-UHFFFAOYSA-N 0 0 433.430 4.680 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC1CC1 ZINC000036115977 569587813 /nfs/dbraw/zinc/58/78/13/569587813.db2.gz HVJQAHKZWZQVEN-HXUWFJFHSA-N 0 0 447.000 4.555 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCC2)[C@@H]1C ZINC000037443011 569588026 /nfs/dbraw/zinc/58/80/26/569588026.db2.gz ZCGVSAORKMFJKO-MFJZGFPYSA-N 0 0 427.614 4.801 50 0 IJAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000000687145 291393200 /nfs/dbraw/zinc/39/32/00/291393200.db2.gz SRQGDTHJRNNRTO-KRXBUXKQSA-N 0 0 429.295 4.953 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000624725 193860557 /nfs/dbraw/zinc/86/05/57/193860557.db2.gz LVLKAKLERLINAL-SFHVURJKSA-N 0 0 428.561 4.869 50 0 IJAARN CN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 ZINC000000644885 193869288 /nfs/dbraw/zinc/86/92/88/193869288.db2.gz OKXRCYDUQMQLKK-AGJHTDJMSA-N 0 0 440.543 4.586 50 0 IJAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1OC ZINC000000648116 193870798 /nfs/dbraw/zinc/87/07/98/193870798.db2.gz XAVRGPIGLZVXJH-CQSZACIVSA-N 0 0 431.554 4.637 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000009847376 193905560 /nfs/dbraw/zinc/90/55/60/193905560.db2.gz VTCSYEVEYRRKOF-UHFFFAOYSA-N 0 0 432.501 4.891 50 0 IJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(NCCc4ccc(Cl)cc4)n3n2)n1 ZINC000009831095 193898296 /nfs/dbraw/zinc/89/82/96/193898296.db2.gz ULNDYPBJKOCMAO-UHFFFAOYSA-N 0 0 445.958 4.642 50 0 IJAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(C)ccc32)cc1 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IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009042933 132301100 /nfs/dbraw/zinc/30/11/00/132301100.db2.gz XUGOVRCDWGXLIZ-QFIPXVFZSA-N 0 0 436.515 4.599 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009042930 132301124 /nfs/dbraw/zinc/30/11/24/132301124.db2.gz XUGOVRCDWGXLIZ-JOCHJYFZSA-N 0 0 436.515 4.599 50 0 IJAARN CC1(C)CC(=O)c2c(nc(N3CCN(c4ccccc4)CC3)nc2Nc2ccccc2)C1 ZINC000009060849 132301640 /nfs/dbraw/zinc/30/16/40/132301640.db2.gz RKMUQDCWGLJFDT-UHFFFAOYSA-N 0 0 427.552 4.702 50 0 IJAARN COC(=O)C1=NN(c2ccccc2)[C@@]2(C=CC(c3ccccc3)=NN2c2ccccc2)S1 ZINC000009075695 132302055 /nfs/dbraw/zinc/30/20/55/132302055.db2.gz VCGBRSLSRLFBJT-VWLOTQADSA-N 0 0 440.528 4.861 50 0 IJAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009411150 132316250 /nfs/dbraw/zinc/31/62/50/132316250.db2.gz YWPLRDHQAJQXIY-UHFFFAOYSA-N 0 0 428.463 4.562 50 0 IJAARN Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000009483710 132319073 /nfs/dbraw/zinc/31/90/73/132319073.db2.gz HFXYQOAXBCLBIS-UHFFFAOYSA-N 0 0 444.966 4.802 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1Br ZINC000009504291 132319683 /nfs/dbraw/zinc/31/96/83/132319683.db2.gz SJGFRGBNHNOPHB-UHFFFAOYSA-N 0 0 439.737 4.590 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCCSc1ccccc1 ZINC000009510363 132319926 /nfs/dbraw/zinc/31/99/26/132319926.db2.gz VLEWKKWBCSUMJB-UHFFFAOYSA-N 0 0 444.597 4.832 50 0 IJAARN Cc1ccc2c(c1)-c1c(c(C(=O)N3CCN(c4cccc(C)c4C)CC3)nn1C)CS2 ZINC000009527800 132320362 /nfs/dbraw/zinc/32/03/62/132320362.db2.gz MMPSHNHVBPWNLU-UHFFFAOYSA-N 0 0 432.593 4.580 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N3CCCc4ccccc43)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681997 132325718 /nfs/dbraw/zinc/32/57/18/132325718.db2.gz CLOIUUPWCHBIIN-UHFFFAOYSA-N 0 0 448.526 4.779 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCCCOC(C)C)C2=O)cc1 ZINC000009692913 132326177 /nfs/dbraw/zinc/32/61/77/132326177.db2.gz KWAGIYKUSPTOJK-WMZHIEFXSA-N 0 0 440.609 4.570 50 0 IJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NCc3ccco3)C2=O)c1 ZINC000009692946 132326208 /nfs/dbraw/zinc/32/62/08/132326208.db2.gz GAVYWFLWQYIGDV-MBSDFSHPSA-N 0 0 434.561 4.856 50 0 IJAARN O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009779820 132328746 /nfs/dbraw/zinc/32/87/46/132328746.db2.gz WEMNUMKRFCLHFX-UHFFFAOYSA-N 0 0 429.501 4.718 50 0 IJAARN Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OCC(=O)N2CCCC2)c1 ZINC000009781845 132328963 /nfs/dbraw/zinc/32/89/63/132328963.db2.gz MFYRWZMPSXKIMS-AREMUKBSSA-N 0 0 441.531 4.767 50 0 IJAARN CCn1c(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)nnc1-c1ccco1 ZINC000009793213 132329185 /nfs/dbraw/zinc/32/91/85/132329185.db2.gz RSJWBNZUHOAWTA-LJQANCHMSA-N 0 0 446.532 4.817 50 0 IJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000009969338 132333073 /nfs/dbraw/zinc/33/30/73/132333073.db2.gz SXIDKNBKLLCTEB-UHFFFAOYSA-N 0 0 443.572 4.703 50 0 IJAARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000010010686 132333993 /nfs/dbraw/zinc/33/39/93/132333993.db2.gz GJBYQWNEXRUUFZ-UHFFFAOYSA-N 0 0 433.596 4.832 50 0 IJAARN COc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCCc4ccccc43)s2)cc1 ZINC000010786584 132336528 /nfs/dbraw/zinc/33/65/28/132336528.db2.gz XYJVXRNGSKLWQZ-CQSZACIVSA-N 0 0 426.567 4.750 50 0 IJAARN COc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCCc4ccccc43)s2)cc1 ZINC000010786582 132336553 /nfs/dbraw/zinc/33/65/53/132336553.db2.gz XYJVXRNGSKLWQZ-AWEZNQCLSA-N 0 0 426.567 4.750 50 0 IJAARN CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000011565869 132338016 /nfs/dbraw/zinc/33/80/16/132338016.db2.gz INAWOZDTKGVVGX-UHFFFAOYSA-N 0 0 430.614 4.674 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3C)CC2)cc1Cl ZINC000011613863 132338286 /nfs/dbraw/zinc/33/82/86/132338286.db2.gz BXKDUTIKBOBIOZ-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000013003830 132341801 /nfs/dbraw/zinc/34/18/01/132341801.db2.gz IOFGOKGLRLPNLM-CABCVRRESA-N 0 0 427.501 4.809 50 0 IJAARN CC1CCN(Cc2nc3sc4c(c3c(N3CCN(c5ccccc5)CC3)n2)CCC4)CC1 ZINC000013040410 132343245 /nfs/dbraw/zinc/34/32/45/132343245.db2.gz SUFWYMFPKZBTMW-UHFFFAOYSA-N 0 0 447.652 4.739 50 0 IJAARN CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000013112464 132344839 /nfs/dbraw/zinc/34/48/39/132344839.db2.gz LOHZFZWEOQASQT-UHFFFAOYSA-N 0 0 436.585 4.507 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000013112790 132344843 /nfs/dbraw/zinc/34/48/43/132344843.db2.gz YQDQPRSELVWVKD-GOSISDBHSA-N 0 0 430.451 4.747 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3)[C@H]2c2ccccc2OC)cc1 ZINC000013119970 132345209 /nfs/dbraw/zinc/34/52/09/132345209.db2.gz ANNBJBDAUUOBHP-WIOPSUGQSA-N 0 0 430.504 4.827 50 0 IJAARN O=C(Nc1ccccc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583826 132351102 /nfs/dbraw/zinc/35/11/02/132351102.db2.gz CWHOPWARJWYSPW-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN COc1ccccc1N1CCn2c(nc3cc(NC(=O)CCc4ccccc4)ccc32)C1 ZINC000013730992 132354182 /nfs/dbraw/zinc/35/41/82/132354182.db2.gz MKVOHFOAGLKJEM-UHFFFAOYSA-N 0 0 426.520 4.636 50 0 IJAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1c1nc3ccccc3s1)C2=O ZINC000012884011 518605102 /nfs/dbraw/zinc/60/51/02/518605102.db2.gz YHNUINQXAPOWNH-YBBVMAFNSA-N 0 0 440.613 4.918 50 0 IJAARN CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)CC1CC1 ZINC000036044863 519451830 /nfs/dbraw/zinc/45/18/30/519451830.db2.gz NOVWODIIBNFVEU-UHFFFAOYSA-N 0 0 434.515 4.512 50 0 IJAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C1CC1 ZINC000036030575 519454290 /nfs/dbraw/zinc/45/42/90/519454290.db2.gz HOPSCPZWAIHSEX-UHFFFAOYSA-N 0 0 443.613 4.509 50 0 IJAARN CC(C)C(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849040 519472278 /nfs/dbraw/zinc/47/22/78/519472278.db2.gz GFMFUZUNZJBXQD-UHFFFAOYSA-N 0 0 426.630 4.922 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)cs1)c1ccccc1F ZINC000012893505 519474125 /nfs/dbraw/zinc/47/41/25/519474125.db2.gz XEMGMWNVORNKFX-MFOYZWKCSA-N 0 0 443.406 4.590 50 0 IJAARN CC(=O)N1CCC2(CC1)c1cccn1-c1ccccc1CN2C(=O)Nc1ccc(C)cc1C ZINC000020864965 519520075 /nfs/dbraw/zinc/52/00/75/519520075.db2.gz AYTNBBQPLODXCV-UHFFFAOYSA-N 0 0 442.563 4.979 50 0 biogenic IJAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015870284 519530295 /nfs/dbraw/zinc/53/02/95/519530295.db2.gz ZWUZMZKGHSSXLB-UHFFFAOYSA-N 0 0 443.472 4.710 50 0 IJAARN CC(C)CCN1c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2OCC(C)(C)C1=O ZINC000022510219 519654177 /nfs/dbraw/zinc/65/41/77/519654177.db2.gz LUQYWPBQGRENDB-UHFFFAOYSA-N 0 0 439.512 4.857 50 0 IJAARN CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042131 519661342 /nfs/dbraw/zinc/66/13/42/519661342.db2.gz UAFWSRPFNHSEEO-MSOLQXFVSA-N 0 0 438.515 4.785 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000032977866 519661488 /nfs/dbraw/zinc/66/14/88/519661488.db2.gz GQQVWANFCWESIP-VWLOTQADSA-N 0 0 426.988 4.892 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000021858397 519661490 /nfs/dbraw/zinc/66/14/90/519661490.db2.gz HCRQGHXRKTZPSD-VWLOTQADSA-N 0 0 437.971 4.872 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N(C)Cc2ccco2)cc1 ZINC000033037366 519701659 /nfs/dbraw/zinc/70/16/59/519701659.db2.gz LFKLFVPSRWFOOL-UHFFFAOYSA-N 0 0 446.482 4.810 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4cccc(C)c4)ccc3[nH]2)cc1 ZINC000033264777 519716027 /nfs/dbraw/zinc/71/60/27/519716027.db2.gz GLUFKPIGWHJTNM-UHFFFAOYSA-N 0 0 426.520 4.545 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)c1 ZINC000020355823 519742022 /nfs/dbraw/zinc/74/20/22/519742022.db2.gz NUQYZEQLZFKXOL-QHCPKHFHSA-N 0 0 445.544 4.854 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc32)c1 ZINC000012232783 519742200 /nfs/dbraw/zinc/74/22/00/519742200.db2.gz DDMKHYUESMEUPV-UHFFFAOYSA-N 0 0 449.561 4.751 50 0 IJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)c1 ZINC000058183143 519746364 /nfs/dbraw/zinc/74/63/64/519746364.db2.gz KPPNMIXWAWSKAK-QGZVFWFLSA-N 0 0 446.592 4.623 50 0 IJAARN CC(=O)Nc1nc2ccc(NC=C3N=C(c4cccc5ccccc54)OC3=O)cc2s1 ZINC000020616280 519753261 /nfs/dbraw/zinc/75/32/61/519753261.db2.gz FHBKNAUZCYHOCT-XDHOZWIPSA-N 0 0 428.473 4.665 50 0 IJAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@H](c2ccc(-c3ccc(F)cc3)o2)O1 ZINC000021091713 519759074 /nfs/dbraw/zinc/75/90/74/519759074.db2.gz NQGIKVNCOJEEOR-QFIPXVFZSA-N 0 0 442.830 4.904 50 0 IJAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000244811337 519759266 /nfs/dbraw/zinc/75/92/66/519759266.db2.gz SATUNPTUJFOSJI-ASDGIDEWSA-N 0 0 437.495 4.855 50 0 IJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936028 519806461 /nfs/dbraw/zinc/80/64/61/519806461.db2.gz YUDLSQWMIYGFDM-ACJLOTCBSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000021852204 519833693 /nfs/dbraw/zinc/83/36/93/519833693.db2.gz OPJACURXRYHUNH-HSZRJFAPSA-N 0 0 428.964 4.528 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000021852209 519833769 /nfs/dbraw/zinc/83/37/69/519833769.db2.gz OPJACURXRYHUNH-QHCPKHFHSA-N 0 0 428.964 4.528 50 0 IJAARN CC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)n2)cc1 ZINC000012823500 519833827 /nfs/dbraw/zinc/83/38/27/519833827.db2.gz TXIMKMOHNFNTRB-UHFFFAOYSA-N 0 0 434.565 4.819 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC000024745945 519833904 /nfs/dbraw/zinc/83/39/04/519833904.db2.gz FBGVMLRWDDDLOJ-HNNXBMFYSA-N 0 0 428.579 4.828 50 0 IJAARN CCCC(=O)N(CC)CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000016461959 519862572 /nfs/dbraw/zinc/86/25/72/519862572.db2.gz VTYOORANHQXRAA-UHFFFAOYSA-N 0 0 441.591 4.985 50 0 IJAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(NC2CCC(NC(=O)c3ccco3)CC2)n1 ZINC000036002964 519868978 /nfs/dbraw/zinc/86/89/78/519868978.db2.gz FEKATVNXORHTDY-UHFFFAOYSA-N 0 0 444.539 4.685 50 0 IJAARN CC(C)c1nn2c(nc(COc3cccc(NC(=O)/C=C/c4ccccc4)c3)cc2=O)s1 ZINC000020859194 519884122 /nfs/dbraw/zinc/88/41/22/519884122.db2.gz PZAWELAMVFQZAI-VAWYXSNFSA-N 0 0 446.532 4.505 50 0 IJAARN CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000012798086 520070679 /nfs/dbraw/zinc/07/06/79/520070679.db2.gz JDOFQXIOGKRNKX-UHFFFAOYSA-N 0 0 428.941 4.832 50 0 IJAARN CCCCCCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Br ZINC000012137507 520105005 /nfs/dbraw/zinc/10/50/05/520105005.db2.gz KQQBFNKBWLEWMV-UHFFFAOYSA-N 0 0 439.375 4.806 50 0 IJAARN CCCCCCOc1ccc(C(=O)NC(=S)N2CCCCC2)cc1Br ZINC000012137520 520106256 /nfs/dbraw/zinc/10/62/56/520106256.db2.gz KDJNFMQINSQFTB-UHFFFAOYSA-N 0 0 427.408 4.909 50 0 IJAARN CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCCc1ccccc1 ZINC000016752142 520243292 /nfs/dbraw/zinc/24/32/92/520243292.db2.gz YOJBFUYMZJKXLQ-UHFFFAOYSA-N 0 0 444.468 4.820 50 0 IJAARN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)nc(C)n1 ZINC000012226413 520314898 /nfs/dbraw/zinc/31/48/98/520314898.db2.gz GFZWRQPKFKDELH-UHFFFAOYSA-N 0 0 432.933 4.772 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000036046036 520373893 /nfs/dbraw/zinc/37/38/93/520373893.db2.gz KKINHMCUBYQZMH-UHFFFAOYSA-N 0 0 442.494 4.779 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1OCCC ZINC000018108811 520411819 /nfs/dbraw/zinc/41/18/19/520411819.db2.gz VLFUWHRPWORCQQ-ZHRRBRCNSA-N 0 0 442.581 4.945 50 0 IJAARN CCOC(=O)C1=C(C)N(C)[C@H]2C=CC(OC(=O)C(c3ccccc3)c3ccccc3)=C[C@@H]12 ZINC000170591625 520475471 /nfs/dbraw/zinc/47/54/71/520475471.db2.gz IUPRIJXDPRTPLU-PKTZIBPZSA-N 0 0 429.516 4.583 50 0 IJAARN CCCCN(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)c1cccc(F)c1 ZINC000035700684 520486500 /nfs/dbraw/zinc/48/65/00/520486500.db2.gz KBBYAHGMGHUOGV-UHFFFAOYSA-N 0 0 426.517 4.615 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000012576993 520551063 /nfs/dbraw/zinc/55/10/63/520551063.db2.gz YXJFBLGFCINXNA-FQEVSTJZSA-N 0 0 436.581 4.554 50 0 IJAARN CCCSCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021808368 520565013 /nfs/dbraw/zinc/56/50/13/520565013.db2.gz ZTECFSOCNNPYCH-QHCPKHFHSA-N 0 0 447.670 4.900 50 0 IJAARN CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000022312618 520594774 /nfs/dbraw/zinc/59/47/74/520594774.db2.gz RSZSTZBPZFIKEU-CYBMUJFWSA-N 0 0 445.766 4.769 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OC ZINC000012757703 520615472 /nfs/dbraw/zinc/61/54/72/520615472.db2.gz FVRQQGZTIAUODD-DXRVJIQQSA-N 0 0 442.943 4.638 50 0 IJAARN CCOc1cc(/C=C2/NC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033333121 520624674 /nfs/dbraw/zinc/62/46/74/520624674.db2.gz KBPWMOVVYAOBIH-LICLKQGHSA-N 0 0 434.920 4.534 50 0 IJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC ZINC000002946752 520631307 /nfs/dbraw/zinc/63/13/07/520631307.db2.gz QLGISKKRSSXZER-YVLHZVERSA-N 0 0 435.307 4.884 50 0 IJAARN CCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000001109116 520672695 /nfs/dbraw/zinc/67/26/95/520672695.db2.gz LGWWJIQBNQWLQV-UHFFFAOYSA-N 0 0 443.396 4.520 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000012619788 520806763 /nfs/dbraw/zinc/80/67/63/520806763.db2.gz SAZBDSKGAADOLE-MRXNPFEDSA-N 0 0 443.347 4.991 50 0 IJAARN CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2)nn1 ZINC000020604350 520811472 /nfs/dbraw/zinc/81/14/72/520811472.db2.gz WAXKBMOLBJSOMV-UHFFFAOYSA-N 0 0 441.406 4.501 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(OC)cc3)no2)cc1 ZINC000033325056 520814005 /nfs/dbraw/zinc/81/40/05/520814005.db2.gz FVXYKNUNSBKBDN-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)NC(=O)N1C ZINC000035707632 520814780 /nfs/dbraw/zinc/81/47/80/520814780.db2.gz XTKFUIHPRHIJGZ-HXUWFJFHSA-N 0 0 441.915 4.514 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000012793300 520817317 /nfs/dbraw/zinc/81/73/17/520817317.db2.gz QWTBJGCGYIQVHR-UHFFFAOYSA-N 0 0 436.577 4.560 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)sc2C)cc1 ZINC000012845818 520822033 /nfs/dbraw/zinc/82/20/33/520822033.db2.gz DIIGSZSMICVDHN-UHFFFAOYSA-N 0 0 439.537 4.601 50 0 IJAARN CCOc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1 ZINC000020662633 520831394 /nfs/dbraw/zinc/83/13/94/520831394.db2.gz ARQJKQVBCSEGFE-SFQUDFHCSA-N 0 0 428.488 4.972 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OCC)cc1 ZINC000012411731 520840480 /nfs/dbraw/zinc/84/04/80/520840480.db2.gz LTBVDFDAOKGSSI-GOSISDBHSA-N 0 0 440.323 4.582 50 0 IJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3OC)C2=O)cc1OCC ZINC000033348746 520852733 /nfs/dbraw/zinc/85/27/33/520852733.db2.gz COUFNKDFHAVJGZ-MOSHPQCFSA-N 0 0 428.510 4.599 50 0 IJAARN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012566016 520863085 /nfs/dbraw/zinc/86/30/85/520863085.db2.gz AADWEOCWSOIPHT-XXWNAHEMSA-N 0 0 442.419 4.731 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000018155459 520875679 /nfs/dbraw/zinc/87/56/79/520875679.db2.gz DCHFIUKDCSASNW-SJORKVTESA-N 0 0 428.410 4.803 50 0 IJAARN CCCCOc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 ZINC000022606371 520885189 /nfs/dbraw/zinc/88/51/89/520885189.db2.gz ZIKPTLNYFIRWDA-UHFFFAOYSA-N 0 0 440.569 4.932 50 0 IJAARN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000021209286 520887257 /nfs/dbraw/zinc/88/72/57/520887257.db2.gz JAEFWKHGFWMZIF-UHFFFAOYSA-N 0 0 435.480 4.602 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1OCC ZINC000012632686 520917493 /nfs/dbraw/zinc/91/74/93/520917493.db2.gz YHEMCBDMYFQLSL-UHFFFAOYSA-N 0 0 427.419 4.780 50 0 IJAARN CC1CCC(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021808439 520940176 /nfs/dbraw/zinc/94/01/76/520940176.db2.gz BYQNITPCZZWMTK-QEAWBRDWSA-N 0 0 427.614 4.945 50 0 IJAARN CCOc1ccc(CNC(=O)CSc2ncnc3c2sc2cccc(F)c23)cc1 ZINC000021153489 520985706 /nfs/dbraw/zinc/98/57/06/520985706.db2.gz WKRLMPRHBNEBGT-UHFFFAOYSA-N 0 0 427.526 4.791 50 0 IJAARN CCOC(=O)[C@@H](C)NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 ZINC000033278607 521017470 /nfs/dbraw/zinc/01/74/70/521017470.db2.gz XYSDFMZMJFFFBT-CQSZACIVSA-N 0 0 425.460 4.513 50 0 IJAARN CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nn2)CC1 ZINC000020554824 521035848 /nfs/dbraw/zinc/03/58/48/521035848.db2.gz WAYWZOORYRBDPX-UHFFFAOYSA-N 0 0 442.972 4.834 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034758054 521047835 /nfs/dbraw/zinc/04/78/35/521047835.db2.gz ZGZRMYUKBGMVEL-UHFFFAOYSA-N 0 0 446.526 4.843 50 0 IJAARN CCOc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)cc1 ZINC000021795360 521087043 /nfs/dbraw/zinc/08/70/43/521087043.db2.gz XZCVTKWAEYDUDE-UHFFFAOYSA-N 0 0 446.555 4.590 50 0 IJAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000035980617 521089162 /nfs/dbraw/zinc/08/91/62/521089162.db2.gz NAWLLOCTQRGAHX-QFIPXVFZSA-N 0 0 449.551 4.806 50 0 IJAARN CCOc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156887 521101079 /nfs/dbraw/zinc/10/10/79/521101079.db2.gz UDAXEKPAUAIFQU-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccsc3)ccc2C)cc1 ZINC000022628327 521130402 /nfs/dbraw/zinc/13/04/02/521130402.db2.gz CELJPJIBXBYPKR-UHFFFAOYSA-N 0 0 444.578 4.827 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925410 521159075 /nfs/dbraw/zinc/15/90/75/521159075.db2.gz WGDANJCEIOYVHS-FQEVSTJZSA-N 0 0 448.615 4.633 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000012412267 521173109 /nfs/dbraw/zinc/17/31/09/521173109.db2.gz IRMSFQRVUKKHPK-KRWDZBQOSA-N 0 0 435.229 4.657 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936360 521253459 /nfs/dbraw/zinc/25/34/59/521253459.db2.gz XZXHEMLIBBOKKS-OXQOHEQNSA-N 0 0 434.565 4.822 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936224 521254312 /nfs/dbraw/zinc/25/43/12/521254312.db2.gz YWERSVVMNOFWCJ-UXHICEINSA-N 0 0 434.565 4.904 50 0 IJAARN CCCCc1ccc(-n2nnnc2SCC(=O)c2ccccc2Br)cc1 ZINC000012619389 521266590 /nfs/dbraw/zinc/26/65/90/521266590.db2.gz DFTQKXGMEJIOPV-UHFFFAOYSA-N 0 0 431.359 4.742 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1 ZINC000021661282 521296832 /nfs/dbraw/zinc/29/68/32/521296832.db2.gz DPVOYLQDVVRFMX-CQSZACIVSA-N 0 0 440.475 4.941 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035866455 521314118 /nfs/dbraw/zinc/31/41/18/521314118.db2.gz GAGZEYPMGVHDFN-KRWDZBQOSA-N 0 0 428.646 4.853 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2ccc(C)cc2)c1C ZINC000036004333 521365148 /nfs/dbraw/zinc/36/51/48/521365148.db2.gz ISOCVUWGYZICQZ-SFHVURJKSA-N 0 0 436.508 4.623 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000017097125 521366701 /nfs/dbraw/zinc/36/67/01/521366701.db2.gz GJGZOEOQXFOBHQ-AWEZNQCLSA-N 0 0 430.570 4.658 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000033332811 521386154 /nfs/dbraw/zinc/38/61/54/521386154.db2.gz PPMVAVAVZJKOEX-RAXLEYEMSA-N 0 0 428.554 4.710 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000022655692 521424664 /nfs/dbraw/zinc/42/46/64/521424664.db2.gz GPPUBBVHOICCGZ-UHFFFAOYSA-N 0 0 441.547 5.000 50 0 IJAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3cccnc3)C[C@@H]21 ZINC000012196122 521435230 /nfs/dbraw/zinc/43/52/30/521435230.db2.gz LQPPVHGLKZMDHE-NBGIEHNGSA-N 0 0 431.492 4.740 50 0 IJAARN CCOc1ccccc1CNC(=O)CCc1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000021353295 521489165 /nfs/dbraw/zinc/48/91/65/521489165.db2.gz KOIAGXUMIKFYKU-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1)C(=O)c1ccccc1S2 ZINC000021939404 521531574 /nfs/dbraw/zinc/53/15/74/521531574.db2.gz NLEMUUFNHNMSAH-UHFFFAOYSA-N 0 0 432.501 4.613 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)c1ccc(CC)cc1 ZINC000035829850 521539650 /nfs/dbraw/zinc/53/96/50/521539650.db2.gz ZXGDMENBZBHMRU-SANMLTNESA-N 0 0 447.554 4.674 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(=O)Nc1ccc(C)cc1 ZINC000035471571 521540573 /nfs/dbraw/zinc/54/05/73/521540573.db2.gz RVBSOECVVBSOFT-VWLOTQADSA-N 0 0 448.542 4.811 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(=O)Nc1ccccc1C ZINC000035471615 521540717 /nfs/dbraw/zinc/54/07/17/521540717.db2.gz IOPSFFHAXFDWNC-VWLOTQADSA-N 0 0 448.542 4.811 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CCCCC3 ZINC000035892559 521544480 /nfs/dbraw/zinc/54/44/80/521544480.db2.gz FIHIKZOOXQTNRY-UHFFFAOYSA-N 0 0 426.630 4.752 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783548 521544491 /nfs/dbraw/zinc/54/44/91/521544491.db2.gz XTRUXRBNEQQVMD-JOCHJYFZSA-N 0 0 431.536 4.778 50 0 IJAARN CCOc1ccccc1NC(=O)c1nc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000021660538 521552692 /nfs/dbraw/zinc/55/26/92/521552692.db2.gz IUVYUJOYATVPAW-UHFFFAOYSA-N 0 0 441.413 4.770 50 0 IJAARN CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1NCCc1ccccc1Cl ZINC000023425386 521567900 /nfs/dbraw/zinc/56/79/00/521567900.db2.gz JDJIZJHPZIYJNB-UHFFFAOYSA-N 0 0 441.915 4.646 50 0 IJAARN CCOc1ccccc1Oc1coc2c(ccc3c2CN(Cc2cccnc2)CO3)c1=O ZINC000012442643 521568894 /nfs/dbraw/zinc/56/88/94/521568894.db2.gz BVURVAPJGALLGB-UHFFFAOYSA-N 0 0 430.460 4.731 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000020445833 521573899 /nfs/dbraw/zinc/57/38/99/521573899.db2.gz OERDQORNCQQOCY-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(OC)cc1OC ZINC000012862327 521592267 /nfs/dbraw/zinc/59/22/67/521592267.db2.gz PRLICLKVJOQTML-CVJWPJSTSA-N 0 0 439.552 4.611 50 0 biogenic IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000037385117 521601618 /nfs/dbraw/zinc/60/16/18/521601618.db2.gz SONNZNVQPAEARJ-UHFFFAOYSA-N 0 0 444.491 4.603 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000033004218 521637968 /nfs/dbraw/zinc/63/79/68/521637968.db2.gz BHOOZUTZTQWULT-OAQYLSRUSA-N 0 0 446.595 4.822 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035769913 521686577 /nfs/dbraw/zinc/68/65/77/521686577.db2.gz LLKOYEFBFIDYDM-UHFFFAOYSA-N 0 0 448.928 4.896 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(OC)cc1 ZINC000020578453 521695581 /nfs/dbraw/zinc/69/55/81/521695581.db2.gz HCFATMCLSVPNDB-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CCNC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000035980293 521739388 /nfs/dbraw/zinc/73/93/88/521739388.db2.gz NXABYHOQVUSIMA-UHFFFAOYSA-N 0 0 440.519 4.544 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)C(CC)CC)c1 ZINC000035947479 521743006 /nfs/dbraw/zinc/74/30/06/521743006.db2.gz BWEXRQDDPLUBCY-UHFFFAOYSA-N 0 0 442.579 4.998 50 0 IJAARN CCc1cccc(NC(=O)C[C@@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000020561243 521753756 /nfs/dbraw/zinc/75/37/56/521753756.db2.gz MKTDVBVRFGLKTH-QHCPKHFHSA-N 0 0 444.531 4.992 50 0 IJAARN CCc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533609 521753834 /nfs/dbraw/zinc/75/38/34/521753834.db2.gz GRPTVUUBCPAORU-AWEZNQCLSA-N 0 0 427.599 4.616 50 0 IJAARN CCc1cccc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)c1 ZINC000020561240 521754059 /nfs/dbraw/zinc/75/40/59/521754059.db2.gz MKTDVBVRFGLKTH-HSZRJFAPSA-N 0 0 444.531 4.992 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2CS[C@@]3(c4ccc(Br)cc4)CCC(=O)N23)c1 ZINC000012754257 521767073 /nfs/dbraw/zinc/76/70/73/521767073.db2.gz VOMOFFSQEURLIP-WIYYLYMNSA-N 0 0 445.382 4.541 50 0 IJAARN COC(=O)c1c(NCc2cc(Br)ccc2OC)onc1-c1ccc(F)cc1 ZINC000035509999 521775506 /nfs/dbraw/zinc/77/55/06/521775506.db2.gz LKYHXZUYVCWHKW-UHFFFAOYSA-N 0 0 435.249 4.651 50 0 IJAARN CC[C@@H](C(=O)N(Cc1cc(NC(=O)COC)ccc1N(C)C)[C@@H](C)CC)c1ccccc1 ZINC000035945497 521809460 /nfs/dbraw/zinc/80/94/60/521809460.db2.gz GDTOVSNUMJKUCS-WMZHIEFXSA-N 0 0 439.600 4.658 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000035887766 521822154 /nfs/dbraw/zinc/82/21/54/521822154.db2.gz UWKHMQPVGXCENH-RUZDIDTESA-N 0 0 442.607 4.835 50 0 IJAARN CCc1ccccc1NC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000015721248 521877988 /nfs/dbraw/zinc/87/79/88/521877988.db2.gz WTQVCHIDVCBXEE-HSZRJFAPSA-N 0 0 444.531 4.992 50 0 IJAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)Cc1ccccc1)C2 ZINC000012003895 521906526 /nfs/dbraw/zinc/90/65/26/521906526.db2.gz HAQIDWLUTSECBO-UHFFFAOYSA-N 0 0 430.529 4.936 50 0 IJAARN COc1cc(C=CC(=O)OCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)ccc1O ZINC000015911675 521935062 /nfs/dbraw/zinc/93/50/62/521935062.db2.gz RAPOHDDBKLJWNU-FYWRMAATSA-N 0 0 441.483 4.999 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@H](C(=O)N(C)C)c3ccccc3)nc(=O)c12 ZINC000012739819 522032385 /nfs/dbraw/zinc/03/23/85/522032385.db2.gz VDZFONMQURCKFI-ACJLOTCBSA-N 0 0 429.611 4.803 50 0 IJAARN CC[C@H](C)c1ccc([C@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C(C)C)cc1 ZINC000012799581 522041063 /nfs/dbraw/zinc/04/10/63/522041063.db2.gz FZTYMRLYQJHFSV-QMHKHESXSA-N 0 0 432.586 4.843 50 0 IJAARN COc1cc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cc(OC)c1OC ZINC000012458378 522073635 /nfs/dbraw/zinc/07/36/35/522073635.db2.gz CJKHKVDAEFDPFY-GOSISDBHSA-N 0 0 433.504 4.601 50 0 IJAARN CC[C@@H](C)N1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021868874 522109308 /nfs/dbraw/zinc/10/93/08/522109308.db2.gz SPRJAQGUDIPPBF-WINIVTDRSA-N 0 0 446.595 4.812 50 0 IJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4cc(Cl)ccc4OC)c(C)n3)cc2)no1 ZINC000033258544 522142261 /nfs/dbraw/zinc/14/22/61/522142261.db2.gz CFCRNYNAULXZPD-UHFFFAOYSA-N 0 0 437.887 4.707 50 0 IJAARN COc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc(Cl)c1OCC(C)C ZINC000012691882 522152689 /nfs/dbraw/zinc/15/26/89/522152689.db2.gz QUYGGTLIYFOERM-UHFFFAOYSA-N 0 0 446.352 4.693 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035928409 522217952 /nfs/dbraw/zinc/21/79/52/522217952.db2.gz NYSNBMVLNNDFET-XMMPIXPASA-N 0 0 435.524 4.923 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccco1)C(=O)c1cccc(F)c1 ZINC000035945100 522223121 /nfs/dbraw/zinc/22/31/21/522223121.db2.gz FZSRVSYLXHBEQL-UHFFFAOYSA-N 0 0 435.499 4.676 50 0 IJAARN CC[C@H](NC(=O)CSc1nnc(Nc2ccccc2OC)s1)c1ccc(C)cc1 ZINC000012607837 522392733 /nfs/dbraw/zinc/39/27/33/522392733.db2.gz FIJNNUFPDTYOFP-INIZCTEOSA-N 0 0 428.583 4.958 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000035948896 522451807 /nfs/dbraw/zinc/45/18/07/522451807.db2.gz PDLAQTHHQWAQCB-KRWDZBQOSA-N 0 0 432.977 4.519 50 0 IJAARN CC[C@@H](CCNC(=O)c1cc(C)nc2ccccc21)NC(=O)c1cc(C)nc2ccccc21 ZINC000012637756 522497349 /nfs/dbraw/zinc/49/73/49/522497349.db2.gz ZXJXJNWJTUNNBI-IBGZPJMESA-N 0 0 440.547 4.728 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000012603530 522497606 /nfs/dbraw/zinc/49/76/06/522497606.db2.gz NXUAIJKQSUAVCC-UHFFFAOYSA-N 0 0 437.714 4.748 50 0 IJAARN CN(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012819114 522523430 /nfs/dbraw/zinc/52/34/30/522523430.db2.gz HIADPDUBJINOCW-UHFFFAOYSA-N 0 0 449.363 4.626 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H]1CCCO1)C(C)=O ZINC000035975995 522639705 /nfs/dbraw/zinc/63/97/05/522639705.db2.gz BUHFSNZUHPEUNR-QFIPXVFZSA-N 0 0 437.515 4.894 50 0 IJAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCc1ccc(C)cc1 ZINC000020919840 522646034 /nfs/dbraw/zinc/64/60/34/522646034.db2.gz SKRVWICFKYLHEB-UHFFFAOYSA-N 0 0 446.956 4.520 50 0 IJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccc(Br)cc3F)c3ccccc23)o1 ZINC000035422962 522721871 /nfs/dbraw/zinc/72/18/71/522721871.db2.gz HTTZRARGKVBECX-UHFFFAOYSA-N 0 0 443.276 4.794 50 0 IJAARN COc1cc(OC)c(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000010109438 522802616 /nfs/dbraw/zinc/80/26/16/522802616.db2.gz MFWRFHAOVLUIDT-UHFFFAOYSA-N 0 0 440.883 4.518 50 0 IJAARN COc1cc(OC)c(NC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)cc1Cl ZINC000035397095 522802957 /nfs/dbraw/zinc/80/29/57/522802957.db2.gz JTGDZXMOIKYTNK-UHFFFAOYSA-N 0 0 436.917 4.577 50 0 IJAARN COC(=O)C1=CN(C23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccc(Cl)s1 ZINC000012417482 522898278 /nfs/dbraw/zinc/89/82/78/522898278.db2.gz FFGDGEHWIORHDT-UHFFFAOYSA-N 0 0 447.984 4.883 50 0 IJAARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccccc1F ZINC000001121039 522898689 /nfs/dbraw/zinc/89/86/89/522898689.db2.gz IDCPSMKVTMORGY-UHFFFAOYSA-N 0 0 435.373 4.562 50 0 IJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(OCCO)c2)ccc1F ZINC000020206412 522967726 /nfs/dbraw/zinc/96/77/26/522967726.db2.gz SACJOSGWZRMHJC-MHZLTWQESA-N 0 0 446.522 4.834 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000020898893 522967840 /nfs/dbraw/zinc/96/78/40/522967840.db2.gz XWVKVPBRFLOTFO-HXUWFJFHSA-N 0 0 429.929 4.734 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(C)c1)CC2 ZINC000036043247 523036744 /nfs/dbraw/zinc/03/67/44/523036744.db2.gz WRNMAPOFJBYEKC-HOYKHHGWSA-N 0 0 439.600 4.598 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(C)cc1)N(Cc1ccc(F)cc1)CC2 ZINC000036040794 523036828 /nfs/dbraw/zinc/03/68/28/523036828.db2.gz JFPSPOFSVICVDI-XMMPIXPASA-N 0 0 448.538 4.681 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036043038 523049174 /nfs/dbraw/zinc/04/91/74/523049174.db2.gz AZVFSRPVAAXRCW-QYBDOPJKSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1c(F)cccc1F)CC2 ZINC000013056059 523052336 /nfs/dbraw/zinc/05/23/36/523052336.db2.gz PEFSEMWRUCDTOP-HSZRJFAPSA-N 0 0 444.503 4.630 50 0 IJAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000012296704 523072350 /nfs/dbraw/zinc/07/23/50/523072350.db2.gz JYSUTYWYSCPKFX-UHFFFAOYSA-N 0 0 438.911 4.536 50 0 biogenic IJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3ccco3)CO4)c2=O)cc1OC ZINC000041669357 523078575 /nfs/dbraw/zinc/07/85/75/523078575.db2.gz XOBOIBSSVQOUNL-UHFFFAOYSA-N 0 0 433.460 4.731 50 0 IJAARN COc1ccc(-c2ccc(C(=O)NC[C@@H]3Cc4cccc(-c5ccncc5)c4O3)o2)cc1 ZINC000012248014 523133171 /nfs/dbraw/zinc/13/31/71/523133171.db2.gz IGHLRSSRBMDBQP-NRFANRHFSA-N 0 0 426.472 4.751 50 0 IJAARN COc1ccc(-c2cn3c(C(=O)N4CCC[C@H]4c4nccs4)csc3n2)cc1F ZINC000012307398 523141536 /nfs/dbraw/zinc/14/15/36/523141536.db2.gz ZIZGUMQRVNBQTO-HNNXBMFYSA-N 0 0 428.514 4.644 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n[nH]2)cc1 ZINC000012915398 523178253 /nfs/dbraw/zinc/17/82/53/523178253.db2.gz KLDWMBGQEIWOQJ-UHFFFAOYSA-N 0 0 444.516 4.708 50 0 IJAARN COc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000012520810 523186021 /nfs/dbraw/zinc/18/60/21/523186021.db2.gz QRRMBVRXWPKADO-XMMPIXPASA-N 0 0 426.476 4.865 50 0 IJAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=S)NCC(C)C)ccc21 ZINC000012323934 523201606 /nfs/dbraw/zinc/20/16/06/523201606.db2.gz STYSNDKLGOKTBH-UHFFFAOYSA-N 0 0 428.631 4.698 50 0 IJAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593054 523201476 /nfs/dbraw/zinc/20/14/76/523201476.db2.gz IODSOJRNAHYGPI-INIZCTEOSA-N 0 0 438.524 4.940 50 0 IJAARN COc1ccc(-c2nc(CN3CCC[C@@H](C(=O)c4cccs4)C3)c(C)o2)c(OC)c1 ZINC000020454691 523203725 /nfs/dbraw/zinc/20/37/25/523203725.db2.gz XQMDKBDGJPIXMV-MRXNPFEDSA-N 0 0 426.538 4.824 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccccc3)nsc2c1=O ZINC000033300241 523226058 /nfs/dbraw/zinc/22/60/58/523226058.db2.gz CRDGXKRBWTZOJQ-UHFFFAOYSA-N 0 0 436.562 4.579 50 0 IJAARN COc1ccc(-c2nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3o2)cc1 ZINC000033004064 523229235 /nfs/dbraw/zinc/22/92/35/523229235.db2.gz NABLWXMSHCAHEL-UHFFFAOYSA-N 0 0 434.448 4.782 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(OC(F)(F)F)c2)nnc1-c1cccs1 ZINC000012872245 523230182 /nfs/dbraw/zinc/23/01/82/523230182.db2.gz KTTITVXXHKIVON-UHFFFAOYSA-N 0 0 428.461 4.656 50 0 IJAARN CCn1c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)cc2nc(C)c1=O ZINC000012857189 523262117 /nfs/dbraw/zinc/26/21/17/523262117.db2.gz FWQZMSGGNBFGJN-UHFFFAOYSA-N 0 0 437.590 4.733 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1OC ZINC000012248591 523262650 /nfs/dbraw/zinc/26/26/50/523262650.db2.gz HPRBEEVPUDFICH-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C3CC3)n2)c(OC)c1 ZINC000012679870 523295355 /nfs/dbraw/zinc/29/53/55/523295355.db2.gz UPVCVNKFXKCSST-UHFFFAOYSA-N 0 0 441.538 4.701 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccccc3Br)n2)cc1 ZINC000035319234 523304068 /nfs/dbraw/zinc/30/40/68/523304068.db2.gz LZQWXQSOSQDECT-QGZVFWFLSA-N 0 0 443.301 4.877 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000032941839 523324161 /nfs/dbraw/zinc/32/41/61/523324161.db2.gz FTNHMDHDNGDLRC-UHFFFAOYSA-N 0 0 432.501 4.780 50 0 IJAARN COC(=O)C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000012907428 523333243 /nfs/dbraw/zinc/33/32/43/523333243.db2.gz ATIXIJUKWPNPPM-FQEVSTJZSA-N 0 0 426.310 4.565 50 0 IJAARN COC(=O)Cc1c(C)c2c(OC(=O)c3ccc(Cl)cc3Cl)cc(C)cc2oc1=O ZINC000011867588 523363057 /nfs/dbraw/zinc/36/30/57/523363057.db2.gz FZIIGEWLXZHNJH-UHFFFAOYSA-N 0 0 435.259 4.651 50 0 IJAARN COCCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035417 523369121 /nfs/dbraw/zinc/36/91/21/523369121.db2.gz NRQUEDXDBAQRQY-LJQANCHMSA-N 0 0 429.948 4.518 50 0 IJAARN CCn1cc([C@H](CC(=O)NCc2ccccn2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872328 523478716 /nfs/dbraw/zinc/47/87/16/523478716.db2.gz LHMXKXWSNLEFEQ-XMMPIXPASA-N 0 0 443.547 4.912 50 0 IJAARN CN(Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 ZINC000012451688 523479712 /nfs/dbraw/zinc/47/97/12/523479712.db2.gz VJVVPVXFEHAXMN-JOCHJYFZSA-N 0 0 425.573 4.504 50 0 IJAARN CO[C@@H](c1ccc2c(c1)CN(C(=O)c1scc3c1OCCO3)CCO2)C1CCCCC1 ZINC000012332841 523548927 /nfs/dbraw/zinc/54/89/27/523548927.db2.gz PACQQXZIGYUOIS-OAQYLSRUSA-N 0 0 443.565 4.822 50 0 IJAARN COc1ccc(C(=O)C2CCN(Cn3ccn(-c4cccc(OC)c4)c3=S)CC2)cc1 ZINC000012544051 523574922 /nfs/dbraw/zinc/57/49/22/523574922.db2.gz FZTSGICBBFBGFW-UHFFFAOYSA-N 0 0 437.565 4.578 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884050 523606213 /nfs/dbraw/zinc/60/62/13/523606213.db2.gz QTPMITNCOBEXMQ-QHCPKHFHSA-N 0 0 448.494 4.543 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccccc2F)C[C@H]2CC(c3ccccc3OC)=NO2)cc1 ZINC000035835421 523615627 /nfs/dbraw/zinc/61/56/27/523615627.db2.gz WRLKIWRZTKTARE-OAQYLSRUSA-N 0 0 448.494 4.679 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3C)CC2)c2ccccc12 ZINC000012920621 523621915 /nfs/dbraw/zinc/62/19/15/523621915.db2.gz JTRVKEWOLVONPV-IBGZPJMESA-N 0 0 430.548 4.886 50 0 IJAARN COc1ccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC ZINC000016959640 523700872 /nfs/dbraw/zinc/70/08/72/523700872.db2.gz MNBFBFOEBIMCPN-UHFFFAOYSA-N 0 0 436.455 4.819 50 0 IJAARN CN1C(=O)Cc2cc(C(=O)CSc3ncnc4cc(-c5ccc(F)cc5)sc43)ccc21 ZINC000012788698 523713488 /nfs/dbraw/zinc/71/34/88/523713488.db2.gz GJCPYRIGWRZCNJ-UHFFFAOYSA-N 0 0 449.532 4.991 50 0 IJAARN COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000036739552 523734802 /nfs/dbraw/zinc/73/48/02/523734802.db2.gz XJSTYIJMSJKPMH-QGZVFWFLSA-N 0 0 444.597 4.531 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(=O)C1CC1 ZINC000035980358 523736128 /nfs/dbraw/zinc/73/61/28/523736128.db2.gz HQSAZELETRAVIV-UHFFFAOYSA-N 0 0 439.943 4.918 50 0 IJAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)Nc1cccc(F)c1 ZINC000035945021 523739131 /nfs/dbraw/zinc/73/91/31/523739131.db2.gz OJJNZLJEHBWFLS-UHFFFAOYSA-N 0 0 444.551 4.557 50 0 IJAARN CCc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)sc1C ZINC000022226989 523757455 /nfs/dbraw/zinc/75/74/55/523757455.db2.gz HRVJRHQVJQGKOJ-UHFFFAOYSA-N 0 0 441.622 4.709 50 0 IJAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000012764528 523781040 /nfs/dbraw/zinc/78/10/40/523781040.db2.gz KUMIBBHLOOEKNN-UHFFFAOYSA-N 0 0 433.485 4.551 50 0 IJAARN COc1ccc(C(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000012820396 523796219 /nfs/dbraw/zinc/79/62/19/523796219.db2.gz WMOSCTYRZPMMGM-SFHVURJKSA-N 0 0 436.527 4.742 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2Cl)C12CCCCC2 ZINC000020729322 523810832 /nfs/dbraw/zinc/81/08/32/523810832.db2.gz CZWFOEZLABKIHU-JOCHJYFZSA-N 0 0 440.971 4.545 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(-n3cccn3)nc(C)n2)cc1 ZINC000035597386 523834287 /nfs/dbraw/zinc/83/42/87/523834287.db2.gz FNQCWHGHAKNVQW-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN CN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 ZINC000008862263 523841385 /nfs/dbraw/zinc/84/13/85/523841385.db2.gz FZIZOQUKUGDMRQ-UHFFFAOYSA-N 0 0 428.945 4.601 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cc1 ZINC000020603765 523852251 /nfs/dbraw/zinc/85/22/51/523852251.db2.gz AFAUPTYEODSIIE-AWEZNQCLSA-N 0 0 435.471 4.881 50 0 IJAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)N=C2SC)cc1 ZINC000020578430 523873067 /nfs/dbraw/zinc/87/30/67/523873067.db2.gz GENMDYNPONALPA-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000021658613 523878924 /nfs/dbraw/zinc/87/89/24/523878924.db2.gz RKHJGZPJJBASLG-SFHVURJKSA-N 0 0 439.537 4.842 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3ccccc3C)cc2Sc2ccccc2C1=O ZINC000021355440 523888718 /nfs/dbraw/zinc/88/87/18/523888718.db2.gz FVISULZQWVHENU-UHFFFAOYSA-N 0 0 432.545 4.934 50 0 IJAARN COCCN1c2ccc(NC(=O)c3ccc(OC)cc3)cc2Sc2ccccc2C1=O ZINC000021355375 523889259 /nfs/dbraw/zinc/88/92/59/523889259.db2.gz RPLNVDNANZHBKW-UHFFFAOYSA-N 0 0 434.517 4.705 50 0 IJAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1OC ZINC000012441753 523907481 /nfs/dbraw/zinc/90/74/81/523907481.db2.gz PNVCWBDQBNABNJ-UHFFFAOYSA-N 0 0 434.521 4.503 50 0 IJAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012328623 523953301 /nfs/dbraw/zinc/95/33/01/523953301.db2.gz IWZNCANJEFCGQA-GOSISDBHSA-N 0 0 427.976 4.754 50 0 IJAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1 ZINC000035533568 523975480 /nfs/dbraw/zinc/97/54/80/523975480.db2.gz UHWOPFXJNPYJQK-CQSZACIVSA-N 0 0 427.599 4.616 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000021156935 523986734 /nfs/dbraw/zinc/98/67/34/523986734.db2.gz PTEXHXHDEABROG-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885237 523988313 /nfs/dbraw/zinc/98/83/13/523988313.db2.gz IPMVKPBIQXIOCF-LJQANCHMSA-N 0 0 430.508 4.558 50 0 IJAARN COc1ccc(CN(C)C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)cc1F ZINC000024731982 523995590 /nfs/dbraw/zinc/99/55/90/523995590.db2.gz NACMLLRGCPBJAT-UHFFFAOYSA-N 0 0 439.556 4.650 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007663 524017378 /nfs/dbraw/zinc/01/73/78/524017378.db2.gz MJPKHYAUTVFEBG-UHFFFAOYSA-N 0 0 437.546 4.912 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000022666419 524017473 /nfs/dbraw/zinc/01/74/73/524017473.db2.gz GPEJTUKXSLLYDO-UHFFFAOYSA-N 0 0 426.563 4.704 50 0 IJAARN CCc1ccc([C@H]2C[C@H](C(=O)NCc3ccco3)CN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034709147 524056395 /nfs/dbraw/zinc/05/63/95/524056395.db2.gz UKRMCUSOZPAQLY-VXKWHMMOSA-N 0 0 434.511 4.543 50 0 IJAARN CCc1ccc([C@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998213 524056663 /nfs/dbraw/zinc/05/66/63/524056663.db2.gz BGRWAUSBHMIDLZ-HXUWFJFHSA-N 0 0 426.929 4.920 50 0 IJAARN COc1ccc(CNC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023328686 524057673 /nfs/dbraw/zinc/05/76/73/524057673.db2.gz BGPFWJLHBICJBR-VWLOTQADSA-N 0 0 449.982 4.965 50 0 IJAARN CCc1cccc(N2C(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000021658300 524071364 /nfs/dbraw/zinc/07/13/64/524071364.db2.gz CSONMSZGOFJLTM-UHFFFAOYSA-N 0 0 440.496 4.732 50 0 IJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)nc2c1 ZINC000021721740 524096549 /nfs/dbraw/zinc/09/65/49/524096549.db2.gz GSBHWACLMXVGBV-UHFFFAOYSA-N 0 0 426.473 4.830 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021852452 524119993 /nfs/dbraw/zinc/11/99/93/524119993.db2.gz HKODQFZJTQLDSM-AREMUKBSSA-N 0 0 434.584 4.635 50 0 IJAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045732 524120161 /nfs/dbraw/zinc/12/01/61/524120161.db2.gz HYZVGPBFDCIDSN-ZEQRLZLVSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)CCC(C)C)n2Cc2ccco2)c1 ZINC000012803667 524126758 /nfs/dbraw/zinc/12/67/58/524126758.db2.gz XEPQHLRFUUROGI-GOSISDBHSA-N 0 0 426.586 4.928 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000035462906 524139055 /nfs/dbraw/zinc/13/90/55/524139055.db2.gz DFCAUUGCMPPKFZ-UHFFFAOYSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(C)c(OC[C@H](O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000012506101 524181811 /nfs/dbraw/zinc/18/18/11/524181811.db2.gz YWEQXIULSGOPDF-RBBKRZOGSA-N 0 0 443.547 4.584 50 0 IJAARN COc1ccc(Cl)c2sc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc21 ZINC000012345068 524188403 /nfs/dbraw/zinc/18/84/03/524188403.db2.gz ZRCFWUQUPRIDIZ-UHFFFAOYSA-N 0 0 444.969 4.530 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001105866 524189058 /nfs/dbraw/zinc/18/90/58/524189058.db2.gz VZBCTDRDSRJQHN-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766049 524196640 /nfs/dbraw/zinc/19/66/40/524196640.db2.gz RGDGCQWVRIIVPO-OAQYLSRUSA-N 0 0 426.969 4.940 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012765875 524232199 /nfs/dbraw/zinc/23/21/99/524232199.db2.gz YOUQECZLZGEJNN-UHFFFAOYSA-N 0 0 428.598 4.864 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000035447721 524233331 /nfs/dbraw/zinc/23/33/31/524233331.db2.gz IJPGJEVPXRJPHS-UHFFFAOYSA-N 0 0 435.915 4.504 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3cccs3)C[C@@H]21 ZINC000012130097 524246903 /nfs/dbraw/zinc/24/69/03/524246903.db2.gz IFZHYUKJCNCGHH-JTSKRJEESA-N 0 0 437.908 4.759 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000035684803 524274736 /nfs/dbraw/zinc/27/47/36/524274736.db2.gz GDZYMOYEPNPPBU-INIZCTEOSA-N 0 0 446.385 4.629 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035684806 524275245 /nfs/dbraw/zinc/27/52/45/524275245.db2.gz VJKAFXGUSJWUSZ-INIZCTEOSA-N 0 0 446.385 4.629 50 0 IJAARN COc1ccccc1-c1csc2c1NC(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000021157717 524276099 /nfs/dbraw/zinc/27/60/99/524276099.db2.gz CSEAYCNYROBBRR-OAHLLOKOSA-N 0 0 425.506 4.924 50 0 IJAARN COc1ccc(N(C(C)=O)c2nc(/C=C3\N=C(c4ccc(C)c(C)c4)OC3=O)cs2)cc1 ZINC000012999845 524338101 /nfs/dbraw/zinc/33/81/01/524338101.db2.gz AGSNNSVKWIKCAL-MTJSOVHGSA-N 0 0 447.516 4.798 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Oc2ccccc2Br)cc1 ZINC000023042814 524356871 /nfs/dbraw/zinc/35/68/71/524356871.db2.gz HYGPUSJTGDCJME-IYBDPMFKSA-N 0 0 446.341 4.837 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)c2ccc(F)cc2)C1 ZINC000035835413 524373129 /nfs/dbraw/zinc/37/31/29/524373129.db2.gz QSFSIZJIYLBDQI-FQEVSTJZSA-N 0 0 436.458 4.809 50 0 IJAARN COc1ccccc1C1=NN(c2nc(C)cs2)[C@@H](c2cc(OC)c(OC)c(OC)c2)C1 ZINC000021658624 524374345 /nfs/dbraw/zinc/37/43/45/524374345.db2.gz LJFCXMZRYHRIRO-GOSISDBHSA-N 0 0 439.537 4.842 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)[C@@H]1C ZINC000012634157 524398197 /nfs/dbraw/zinc/39/81/97/524398197.db2.gz KEGWHFOVNMYEND-RKVPGOIHSA-N 0 0 449.020 4.878 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CC2)C(=O)NC(C)(C)C)s1 ZINC000035808329 524416448 /nfs/dbraw/zinc/41/64/48/524416448.db2.gz VAOPBEPHWMMPSH-UHFFFAOYSA-N 0 0 445.604 4.945 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020583546 524470161 /nfs/dbraw/zinc/47/01/61/524470161.db2.gz QLMLQIGTFPVHGR-GOSISDBHSA-N 0 0 441.944 4.590 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3C(C)=O)C2)cc1Cl ZINC000012443221 524482960 /nfs/dbraw/zinc/48/29/60/524482960.db2.gz SJGZZPPLFQGKLS-KRWDZBQOSA-N 0 0 442.943 4.822 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000020573803 524486171 /nfs/dbraw/zinc/48/61/71/524486171.db2.gz NHUNKVVNMIPIJH-XMMPIXPASA-N 0 0 436.483 4.753 50 0 IJAARN COc1ccc(NC(=O)CN(C)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000012800062 524489522 /nfs/dbraw/zinc/48/95/22/524489522.db2.gz HEHZJEQPMFYDHT-UHFFFAOYSA-N 0 0 435.471 4.908 50 0 IJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000035530364 524493838 /nfs/dbraw/zinc/49/38/38/524493838.db2.gz NPYMWBWHLYDRBB-UHFFFAOYSA-N 0 0 444.373 4.708 50 0 IJAARN Cc1cc(C)n(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC000012742326 524517719 /nfs/dbraw/zinc/51/77/19/524517719.db2.gz NNJHJZNGMWWALB-UHFFFAOYSA-N 0 0 430.430 4.800 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3C)c2c1=O ZINC000035400343 524521303 /nfs/dbraw/zinc/52/13/03/524521303.db2.gz WWYXHMZHQMQYDO-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN COc1ccc(NC(=O)Cn2c(SCc3cccc(C)c3)nc3cccnc32)cc1OC ZINC000021528348 524528074 /nfs/dbraw/zinc/52/80/74/524528074.db2.gz DJTHOOWWSFFWCN-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN COc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855806 524535326 /nfs/dbraw/zinc/53/53/26/524535326.db2.gz ZDAGHSFYKAMKNF-AREMUKBSSA-N 0 0 431.536 4.518 50 0 IJAARN Cc1cc(C)n(Cc2cccc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c2)n1 ZINC000020616145 524539749 /nfs/dbraw/zinc/53/97/49/524539749.db2.gz WCWNHFILCCDPTK-UHFFFAOYSA-N 0 0 433.459 4.768 50 0 IJAARN Cc1cccc(N2C[C@H](C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)CC2=O)c1 ZINC000021792242 524566825 /nfs/dbraw/zinc/56/68/25/524566825.db2.gz VKGKIZMLLBJSNE-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN C[C@@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021863915 524587133 /nfs/dbraw/zinc/58/71/33/524587133.db2.gz HGEOGQCJLDWETJ-PPHZAIPVSA-N 0 0 445.563 4.825 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1Cl ZINC000035398160 524612625 /nfs/dbraw/zinc/61/26/25/524612625.db2.gz GUWUDGLAHHTLCQ-SFHVURJKSA-N 0 0 436.943 4.969 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000012297770 524618079 /nfs/dbraw/zinc/61/80/79/524618079.db2.gz OCBOLCYYRFOZNE-UHFFFAOYSA-N 0 0 441.482 4.651 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000018247619 524623199 /nfs/dbraw/zinc/62/31/99/524623199.db2.gz FCVOJQGHGGDHIQ-ZNZDAUKMSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)CC(C)(C)C)C3CC3)n2C(C)C)cc1 ZINC000036040416 524639495 /nfs/dbraw/zinc/63/94/95/524639495.db2.gz SAXLJSXGDGTKBM-UHFFFAOYSA-N 0 0 445.629 4.674 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)c1C ZINC000021936014 524645169 /nfs/dbraw/zinc/64/51/69/524645169.db2.gz JHQAYUJBXREISM-UZLBHIALSA-N 0 0 434.565 4.678 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c(OC)c1 ZINC000021923000 524652761 /nfs/dbraw/zinc/65/27/61/524652761.db2.gz IRMSXZQPYQHNSE-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(C)cc4F)CC3=O)c2)c1 ZINC000033308653 524663228 /nfs/dbraw/zinc/66/32/28/524663228.db2.gz DAFQREZUYMWNFY-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN COc1ccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)c2ncccc12 ZINC000020446778 524722412 /nfs/dbraw/zinc/72/24/12/524722412.db2.gz BSPIEWWCABHBBH-UHFFFAOYSA-N 0 0 443.385 4.669 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882437 524725372 /nfs/dbraw/zinc/72/53/72/524725372.db2.gz ATKFIKLYEGLOBZ-QGZVFWFLSA-N 0 0 449.620 4.523 50 0 IJAARN C[C@@H]1CCc2sc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2C1 ZINC000021670185 524735113 /nfs/dbraw/zinc/73/51/13/524735113.db2.gz XILMYTQVUOBKRQ-GFCCVEGCSA-N 0 0 443.922 4.903 50 0 IJAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012923207 524749226 /nfs/dbraw/zinc/74/92/26/524749226.db2.gz IZEZVZZQWGJNME-QGZVFWFLSA-N 0 0 439.558 4.677 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860112 524754509 /nfs/dbraw/zinc/75/45/09/524754509.db2.gz FOWCGNNOAYKFRE-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@H]2C)c1 ZINC000012860711 524785859 /nfs/dbraw/zinc/78/58/59/524785859.db2.gz PPAGDAGGNOMNME-XLIONFOSSA-N 0 0 428.554 4.556 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 ZINC000022240264 524867977 /nfs/dbraw/zinc/86/79/77/524867977.db2.gz MMWKJVUJOUIHBQ-UHFFFAOYSA-N 0 0 425.794 4.814 50 0 IJAARN COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c1 ZINC000021788130 524899713 /nfs/dbraw/zinc/89/97/13/524899713.db2.gz LABDPRILIIRCKI-NRFANRHFSA-N 0 0 443.956 4.934 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000035910968 524920157 /nfs/dbraw/zinc/92/01/57/524920157.db2.gz RYABNWYMQARNQM-HSZRJFAPSA-N 0 0 438.574 4.883 50 0 IJAARN C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012695047 524968406 /nfs/dbraw/zinc/96/84/06/524968406.db2.gz MCSODEXBPXFAIU-KRWDZBQOSA-N 0 0 432.911 4.844 50 0 IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccs2)cc1 ZINC000035598301 524973450 /nfs/dbraw/zinc/97/34/50/524973450.db2.gz RJRDIIPBROHYFD-FQEVSTJZSA-N 0 0 439.533 4.593 50 0 IJAARN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)/C=C/c3cccc(F)c3)c(N(C)C)nc12 ZINC000012080106 524973942 /nfs/dbraw/zinc/97/39/42/524973942.db2.gz HNSRKVVNVMCHNJ-BYUVYSIJSA-N 0 0 447.554 4.969 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2ccccc2c1 ZINC000012568838 524978277 /nfs/dbraw/zinc/97/82/77/524978277.db2.gz QPFVOWCDGCLUIE-INIZCTEOSA-N 0 0 429.549 4.798 50 0 IJAARN COc1ccc(OCc2nnc(Sc3cc(C)nc(C)n3)n2-c2ccccc2F)cc1 ZINC000012522547 524979140 /nfs/dbraw/zinc/97/91/40/524979140.db2.gz GJRXIFHQEKRXHE-UHFFFAOYSA-N 0 0 437.500 4.552 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000012433759 524986780 /nfs/dbraw/zinc/98/67/80/524986780.db2.gz FAGLFUWTHUGGAB-GOSISDBHSA-N 0 0 434.515 4.795 50 0 IJAARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NC(=O)NC(C)C ZINC000015980610 525023083 /nfs/dbraw/zinc/02/30/83/525023083.db2.gz ZEVCIIQVQSPVJV-UHFFFAOYSA-N 0 0 442.972 4.827 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884603 525062634 /nfs/dbraw/zinc/06/26/34/525062634.db2.gz MPFQPXVUUIFURK-CQSZACIVSA-N 0 0 440.421 4.666 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884151 525062803 /nfs/dbraw/zinc/06/28/03/525062803.db2.gz XHXNMERWFWGHEZ-QGZVFWFLSA-N 0 0 434.467 4.884 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2C)cc1 ZINC000013055956 525076601 /nfs/dbraw/zinc/07/66/01/525076601.db2.gz OTVQVSGONHGDKM-UHFFFAOYSA-N 0 0 448.544 4.830 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1ccc(F)cc1 ZINC000012887418 525089453 /nfs/dbraw/zinc/08/94/53/525089453.db2.gz DCDZZMLMWFIXAO-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000036616584 525141473 /nfs/dbraw/zinc/14/14/73/525141473.db2.gz NRDYNQBTJMPQKF-OAHLLOKOSA-N 0 0 448.498 4.685 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2cccc(F)c2)n1C[C@H]1CCCO1 ZINC000014968399 525187463 /nfs/dbraw/zinc/18/74/63/525187463.db2.gz BAFHLRVTSHHBIA-JOCHJYFZSA-N 0 0 440.588 4.829 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)NC[C@H]2CCCO2)cc2scc(Br)c21 ZINC000037545074 525210146 /nfs/dbraw/zinc/21/01/46/525210146.db2.gz UHAUQCZIGHHDBE-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1cc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)nn1Cc1c(Cl)cccc1Cl ZINC000020602133 525231749 /nfs/dbraw/zinc/23/17/49/525231749.db2.gz SZBOPBPHRQNFTF-LJQANCHMSA-N 0 0 447.297 4.817 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 ZINC000013006453 525268736 /nfs/dbraw/zinc/26/87/36/525268736.db2.gz KLKKLPCKQPLCRO-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN COc1ccc([C@@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447000 525283668 /nfs/dbraw/zinc/28/36/68/525283668.db2.gz NSNMRRSJBXMBCJ-FTJBHMTQSA-N 0 0 437.967 4.701 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)nc(C)n2)cc1 ZINC000021795356 525322658 /nfs/dbraw/zinc/32/26/58/525322658.db2.gz ZFHIEXBUXJROGM-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561302 525343989 /nfs/dbraw/zinc/34/39/89/525343989.db2.gz QQXMJHIPEQDSLI-QFIPXVFZSA-N 0 0 430.504 4.738 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(Cl)c5c(nc4c3)CCC5)CC2)cc1 ZINC000009858147 534850025 /nfs/dbraw/zinc/85/00/25/534850025.db2.gz AHURNLKXDPKEPV-UHFFFAOYSA-N 0 0 433.939 4.542 50 0 IJAARN COc1ccc([C@H](NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c2ccccc2)cc1 ZINC000012603824 525366127 /nfs/dbraw/zinc/36/61/27/525366127.db2.gz VMNSUIQRGMSONS-HSZRJFAPSA-N 0 0 433.533 4.578 50 0 IJAARN C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197780 525380529 /nfs/dbraw/zinc/38/05/29/525380529.db2.gz DVYHZSOKOQOVDB-SSDOTTSWSA-N 0 0 442.151 4.590 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)[nH]c1Cc1ccccc1 ZINC000016833511 525413100 /nfs/dbraw/zinc/41/31/00/525413100.db2.gz SRDFOYHKNCHOFN-INIZCTEOSA-N 0 0 434.565 4.553 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1OC ZINC000020892765 525432011 /nfs/dbraw/zinc/43/20/11/525432011.db2.gz GFJHFZOEJKKWLO-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c(NC(=O)c2ccccc2)c1 ZINC000035447962 525442801 /nfs/dbraw/zinc/44/28/01/525442801.db2.gz HOPQPOXQFAGHIX-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Br)cc3)c2c1 ZINC000033298729 525485117 /nfs/dbraw/zinc/48/51/17/525485117.db2.gz KVKZBLPKEDWEMS-UHFFFAOYSA-N 0 0 443.326 4.613 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(C)c2)cc1 ZINC000016309877 525509477 /nfs/dbraw/zinc/50/94/77/525509477.db2.gz BKJYXHNMBUNTLC-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c2oc1-c1ccccc1 ZINC000015057384 525524081 /nfs/dbraw/zinc/52/40/81/525524081.db2.gz JLCLRSSLGZBJLL-SFHVURJKSA-N 0 0 441.483 4.803 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc(Cl)c4C)ccc32)cc1 ZINC000020889196 525552204 /nfs/dbraw/zinc/55/22/04/525552204.db2.gz APYPJGDFAKRBOS-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1cccc2ncccc21 ZINC000012850035 525606777 /nfs/dbraw/zinc/60/67/77/525606777.db2.gz BIBJAKRPBDJURI-UHFFFAOYSA-N 0 0 435.480 4.735 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)nc2c1 ZINC000021100157 525607494 /nfs/dbraw/zinc/60/74/94/525607494.db2.gz ACFPQOITKHJZCW-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909497 525611265 /nfs/dbraw/zinc/61/12/65/525611265.db2.gz LJVVGNBELRTNEK-AWEZNQCLSA-N 0 0 440.421 4.666 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCc2ccccc2)C3=O)o1 ZINC000021526793 525617940 /nfs/dbraw/zinc/61/79/40/525617940.db2.gz FBXKZBNRWWLGMO-MHZLTWQESA-N 0 0 447.579 4.839 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 ZINC000021810836 525618803 /nfs/dbraw/zinc/61/88/03/525618803.db2.gz QTHWPALRUIAGOK-RUZDIDTESA-N 0 0 437.515 4.545 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C3=O ZINC000021855961 525642366 /nfs/dbraw/zinc/64/23/66/525642366.db2.gz LVTWLISJTNEEHC-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(F)c3F)sc2c1 ZINC000021660575 525657298 /nfs/dbraw/zinc/65/72/98/525657298.db2.gz KCDNHKOOMPLEEW-ZDUSSCGKSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3cc4ccccc4oc3=O)nc2c(C)c1 ZINC000023144826 525698070 /nfs/dbraw/zinc/69/80/70/525698070.db2.gz FNJXSQZWURWITI-UHFFFAOYSA-N 0 0 444.516 4.563 50 0 IJAARN COc1cccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)no2)c1 ZINC000036012308 525704488 /nfs/dbraw/zinc/70/44/88/525704488.db2.gz NJSLPFBDXZHXRQ-UHFFFAOYSA-N 0 0 432.432 4.515 50 0 IJAARN Cc1ccnc2nc(C(=O)N(Cc3ccccc3)c3nc(-c4ccc(F)cc4)cs3)nn21 ZINC000012767570 525719309 /nfs/dbraw/zinc/71/93/09/525719309.db2.gz ZYIHUIBMEMUJSX-UHFFFAOYSA-N 0 0 444.495 4.542 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c3ccccc3n2)cc1 ZINC000023056914 525728804 /nfs/dbraw/zinc/72/88/04/525728804.db2.gz ULWYADWSNUJPON-UHFFFAOYSA-N 0 0 431.517 4.834 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)c(C)c1 ZINC000033266484 525738248 /nfs/dbraw/zinc/73/82/48/525738248.db2.gz STZUMVCKMDBLIG-QFIPXVFZSA-N 0 0 439.563 4.546 50 0 IJAARN CSCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012559157 525765298 /nfs/dbraw/zinc/76/52/98/525765298.db2.gz DEOMACOBVJLDCB-MRXNPFEDSA-N 0 0 436.606 4.915 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127969 525771566 /nfs/dbraw/zinc/77/15/66/525771566.db2.gz SZMIERFQQICEAW-QFIPXVFZSA-N 0 0 433.939 4.971 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccs1 ZINC000021869047 525790135 /nfs/dbraw/zinc/79/01/35/525790135.db2.gz UGBQYMCNTLYPGA-VWLOTQADSA-N 0 0 433.577 4.690 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000035553517 525804163 /nfs/dbraw/zinc/80/41/63/525804163.db2.gz QBPRUUSKWANVDQ-VWLOTQADSA-N 0 0 447.535 4.573 50 0 IJAARN COc1cccc(CN(C)c2nc(CN3CCCC3)nc3sc(C)c(C)c32)c1OC ZINC000012759080 525920984 /nfs/dbraw/zinc/92/09/84/525920984.db2.gz FJQMKCDLKHCCRF-UHFFFAOYSA-N 0 0 426.586 4.558 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000001065322 525926118 /nfs/dbraw/zinc/92/61/18/525926118.db2.gz CYNAGABYSGHVTC-GFCCVEGCSA-N 0 0 429.731 4.889 50 0 IJAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1F ZINC000022738201 525935304 /nfs/dbraw/zinc/93/53/04/525935304.db2.gz YVYCNIKOIBGYEI-MRVPVSSYSA-N 0 0 431.288 4.635 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(C(C)C)cc1)nc2C ZINC000020563607 525936316 /nfs/dbraw/zinc/93/63/16/525936316.db2.gz QPHVUTIKLRHETO-UHFFFAOYSA-N 0 0 443.551 4.741 50 0 IJAARN Cc1cn2c(nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2=O)s1 ZINC000020859434 525941482 /nfs/dbraw/zinc/94/14/82/525941482.db2.gz MBLVPRMMRPFEBD-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccc(SC)cc3)C2)c1 ZINC000012469168 525968270 /nfs/dbraw/zinc/96/82/70/525968270.db2.gz DNWLHCWPWOFNRD-GOSISDBHSA-N 0 0 441.597 4.758 50 0 IJAARN C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012799545 526006747 /nfs/dbraw/zinc/00/67/47/526006747.db2.gz JHSYCDPJYLWCRD-ZDUSSCGKSA-N 0 0 441.463 4.536 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCCC1 ZINC000023484342 526008499 /nfs/dbraw/zinc/00/84/99/526008499.db2.gz QPFDNRBSJOMKHE-GOEBONIOSA-N 0 0 432.659 4.798 50 0 IJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccc(F)cc3F)ccc2OCC1=O ZINC000035909702 526064842 /nfs/dbraw/zinc/06/48/42/526064842.db2.gz DBJLMLFSHMOWFL-CQSZACIVSA-N 0 0 440.421 4.838 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)cc2)C[C@@H]2CCCO2)cc1 ZINC000012244329 526073966 /nfs/dbraw/zinc/07/39/66/526073966.db2.gz QWBWASBUTFHYLX-SANMLTNESA-N 0 0 430.548 4.833 50 0 IJAARN Cc1ccc(C(=O)N2CCCC[C@@H]2C)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034729404 526091197 /nfs/dbraw/zinc/09/11/97/526091197.db2.gz UYCPXZPTIHQQSL-KRWDZBQOSA-N 0 0 441.522 4.703 50 0 IJAARN Cc1ccc2[nH]c(=O)c(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2c1 ZINC000020442508 526095534 /nfs/dbraw/zinc/09/55/34/526095534.db2.gz FFZJRDCUXGGCDX-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN C[C@@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc2ccoc21 ZINC000035844055 526098654 /nfs/dbraw/zinc/09/86/54/526098654.db2.gz PXAJVOMCGFUUGA-PMACEKPBSA-N 0 0 441.531 4.830 50 0 IJAARN CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c1 ZINC000021527651 526108572 /nfs/dbraw/zinc/10/85/72/526108572.db2.gz JTDDETOJJJTFSZ-VWLOTQADSA-N 0 0 435.593 4.945 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(F)c4)c3c2=O)c1 ZINC000035400457 526110892 /nfs/dbraw/zinc/11/08/92/526110892.db2.gz YHPPRACQZVEBDB-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN Cc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000012761031 526126567 /nfs/dbraw/zinc/12/65/67/526126567.db2.gz HVRKNGANUPVPSD-SFHVURJKSA-N 0 0 444.622 4.701 50 0 IJAARN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000022784631 526149435 /nfs/dbraw/zinc/14/94/35/526149435.db2.gz KLSLKMDLBURRPC-LJQANCHMSA-N 0 0 437.971 4.517 50 0 IJAARN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1 ZINC000034729053 526157062 /nfs/dbraw/zinc/15/70/62/526157062.db2.gz YWJJMDWHOAPTGI-UHFFFAOYSA-N 0 0 433.596 4.649 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012815533 526166348 /nfs/dbraw/zinc/16/63/48/526166348.db2.gz JAVWDGADGQKILA-UHFFFAOYSA-N 0 0 433.390 4.809 50 0 IJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000035399268 526172518 /nfs/dbraw/zinc/17/25/18/526172518.db2.gz SDWMIMGALUWWTD-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000022357255 526176926 /nfs/dbraw/zinc/17/69/26/526176926.db2.gz QUSGDVHNDMQMOR-NSHDSACASA-N 0 0 447.347 4.533 50 0 IJAARN C[C@H](C1CC1)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012785512 526203247 /nfs/dbraw/zinc/20/32/47/526203247.db2.gz IBCKJEBNSDZDKF-GFCCVEGCSA-N 0 0 427.353 4.665 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC000012577737 526216563 /nfs/dbraw/zinc/21/65/63/526216563.db2.gz OSLAREFRAHOGTR-JTQLQIEISA-N 0 0 435.336 4.726 50 0 IJAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccccc1Br)n2C ZINC000015681810 526216874 /nfs/dbraw/zinc/21/68/74/526216874.db2.gz XMGMNFFBKCHHMH-UHFFFAOYSA-N 0 0 426.314 4.628 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000012678839 526217161 /nfs/dbraw/zinc/21/71/61/526217161.db2.gz HXYWGWQQXLQWGZ-INIZCTEOSA-N 0 0 448.906 4.714 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CN4CCOCC4)cs3)c2c1 ZINC000012770061 526242081 /nfs/dbraw/zinc/24/20/81/526242081.db2.gz VUWNBMJIMRRSPL-UHFFFAOYSA-N 0 0 444.560 4.751 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2c1 ZINC000017122168 526254031 /nfs/dbraw/zinc/25/40/31/526254031.db2.gz PKBRYPVALZKAEQ-IYBDPMFKSA-N 0 0 443.594 4.524 50 0 IJAARN Cc1cc(C(=O)N2CCSCC2)n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000020607314 526257377 /nfs/dbraw/zinc/25/73/77/526257377.db2.gz XIJFNFYISCMUFL-UHFFFAOYSA-N 0 0 439.393 4.800 50 0 IJAARN O=C(NCCCc1ccccc1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020565148 526279288 /nfs/dbraw/zinc/27/92/88/526279288.db2.gz PVVRCFAEUCJQDK-UHFFFAOYSA-N 0 0 432.549 4.588 50 0 IJAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000012544668 526281828 /nfs/dbraw/zinc/28/18/28/526281828.db2.gz RHDXSICTFKRIEM-UHFFFAOYSA-N 0 0 447.848 4.783 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc12 ZINC000012857293 526292566 /nfs/dbraw/zinc/29/25/66/526292566.db2.gz DFZBHOPTXHDFCL-UHFFFAOYSA-N 0 0 448.523 4.738 50 0 IJAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc(-c2ccc(C)cc2)cs1 ZINC000012632210 526307581 /nfs/dbraw/zinc/30/75/81/526307581.db2.gz QTFNIGDUJZSJHK-WAVCKPEOSA-N 0 0 433.986 4.807 50 0 IJAARN Fc1ccc(-n2ccc(C3=NO[C@H](CNc4ncc(C(F)(F)F)cc4Cl)C3)n2)cc1 ZINC000020404919 526321163 /nfs/dbraw/zinc/32/11/63/526321163.db2.gz LQDIEEPWSQXNJN-AWEZNQCLSA-N 0 0 439.800 4.684 50 0 IJAARN Cc1nnc(-c2cn(CC(=O)Nc3ccc(Br)cc3F)c3ccccc23)o1 ZINC000035423115 526322373 /nfs/dbraw/zinc/32/23/73/526322373.db2.gz VPGCMICIZOLEHP-UHFFFAOYSA-N 0 0 429.249 4.540 50 0 IJAARN O=C(CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)NCCC1=CCCCC1 ZINC000020618524 526327304 /nfs/dbraw/zinc/32/73/04/526327304.db2.gz XFETTYGLCTXDEX-UHFFFAOYSA-N 0 0 429.586 4.547 50 0 IJAARN Cc1csc(N(C(=O)CSc2nnc(Cc3ccccc3)n2C)c2ccccc2)n1 ZINC000012858314 526370641 /nfs/dbraw/zinc/37/06/41/526370641.db2.gz UMKLRKMIODVNJL-UHFFFAOYSA-N 0 0 435.578 4.628 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012625439 526376829 /nfs/dbraw/zinc/37/68/29/526376829.db2.gz XSYZMDAGXWHQPF-UHFFFAOYSA-N 0 0 445.494 4.651 50 0 IJAARN O=C(CCC1CCN(C(=O)c2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012580239 526408556 /nfs/dbraw/zinc/40/85/56/526408556.db2.gz YOHCKVGKRJLUCI-UHFFFAOYSA-N 0 0 436.571 4.939 50 0 IJAARN O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1cc(=O)c2ccccc2o1 ZINC000021226813 526424591 /nfs/dbraw/zinc/42/45/91/526424591.db2.gz KQEWYQGRHYSYNP-RUZDIDTESA-N 0 0 432.403 4.897 50 0 IJAARN O=C(OCc1ccc(C(F)(F)F)cc1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC000012923119 526426206 /nfs/dbraw/zinc/42/62/06/526426206.db2.gz AKVLGKSPENUQQK-UHFFFAOYSA-N 0 0 443.208 4.915 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712080 526522357 /nfs/dbraw/zinc/52/23/57/526522357.db2.gz WOWGZSTXVMIQQP-IBGZPJMESA-N 0 0 430.476 4.576 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1c(C)cccc1C ZINC000017135767 526573609 /nfs/dbraw/zinc/57/36/09/526573609.db2.gz HOLDVAMBIFHJNH-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN O=C(c1cc2ccsc2n1Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000035843817 526643534 /nfs/dbraw/zinc/64/35/34/526643534.db2.gz OPELZRXTYCQBJK-UHFFFAOYSA-N 0 0 433.552 4.848 50 0 IJAARN O=C(CCc1nc(-c2ccco2)no1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000012905906 526646104 /nfs/dbraw/zinc/64/61/04/526646104.db2.gz GANOTGDNLAJUSP-UHFFFAOYSA-N 0 0 442.269 4.601 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012883279 526660421 /nfs/dbraw/zinc/66/04/21/526660421.db2.gz RLTGWMLPCJVTIM-UPVQGACJSA-N 0 0 441.918 4.608 50 0 biogenic IJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000012593845 526665183 /nfs/dbraw/zinc/66/51/83/526665183.db2.gz APLHOBAHTNGUMA-MRXNPFEDSA-N 0 0 429.394 4.547 50 0 IJAARN O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000012931354 526668893 /nfs/dbraw/zinc/66/88/93/526668893.db2.gz RQOOAQVPCGBHCK-UHFFFAOYSA-N 0 0 448.319 4.583 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033257961 526701227 /nfs/dbraw/zinc/70/12/27/526701227.db2.gz SAWFVWGNDPXJFG-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)c1csc2ccccc12 ZINC000017100286 526701332 /nfs/dbraw/zinc/70/13/32/526701332.db2.gz GJDDFTRIGJSBNG-UHFFFAOYSA-N 0 0 436.514 4.874 50 0 IJAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012592073 526706408 /nfs/dbraw/zinc/70/64/08/526706408.db2.gz QKBAEOGOLRBNJG-DEOSSOPVSA-N 0 0 436.527 4.583 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462144 526733906 /nfs/dbraw/zinc/73/39/06/526733906.db2.gz LJYVIIODZASOFE-UHFFFAOYSA-N 0 0 443.532 4.981 50 0 biogenic,in-vitro IJAARN Cc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)CC1=CCCCC1 ZINC000012041336 526735327 /nfs/dbraw/zinc/73/53/27/526735327.db2.gz BZIDZADYJNAMQI-UHFFFAOYSA-N 0 0 430.508 4.804 50 0 IJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000012715253 526747238 /nfs/dbraw/zinc/74/72/38/526747238.db2.gz OJPRXZZEVSONRJ-KRWDZBQOSA-N 0 0 434.565 4.835 50 0 IJAARN O=C(NCc1ccccc1OC(F)F)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000022374257 526757178 /nfs/dbraw/zinc/75/71/78/526757178.db2.gz CJNWYKXOTYKZKW-LJQANCHMSA-N 0 0 438.474 4.610 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000021533730 526799933 /nfs/dbraw/zinc/79/99/33/526799933.db2.gz PFDSOZIMUNQBMB-FQEVSTJZSA-N 0 0 429.476 4.818 50 0 IJAARN O=C(c1cccs1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892171 526837454 /nfs/dbraw/zinc/83/74/54/526837454.db2.gz WKQHKMCRWFYGNO-UHFFFAOYSA-N 0 0 438.622 4.862 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012387342 526847327 /nfs/dbraw/zinc/84/73/27/526847327.db2.gz QJAJMZBAUJKBPZ-FQEVSTJZSA-N 0 0 434.446 4.921 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1Br ZINC000012927539 526853639 /nfs/dbraw/zinc/85/36/39/526853639.db2.gz YUKRKDYCJGBUTQ-UHFFFAOYSA-N 0 0 433.689 4.731 50 0 IJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)C4CCCC4)CC3)c2c1C ZINC000035866771 526891025 /nfs/dbraw/zinc/89/10/25/526891025.db2.gz UWAHVTXSPIQSKG-UHFFFAOYSA-N 0 0 448.636 4.932 50 0 IJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000023451643 526906749 /nfs/dbraw/zinc/90/67/49/526906749.db2.gz VRPDXFVRDRTKDW-UHFFFAOYSA-N 0 0 434.920 4.974 50 0 IJAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc2ccccc21 ZINC000021763290 526907713 /nfs/dbraw/zinc/90/77/13/526907713.db2.gz WWWXZTKQTQTVHS-UHFFFAOYSA-N 0 0 442.437 4.896 50 0 IJAARN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCN(Cc2ccccc2)CC1 ZINC000020556908 526914285 /nfs/dbraw/zinc/91/42/85/526914285.db2.gz CMZVDOGTBDNBOB-UHFFFAOYSA-N 0 0 448.998 4.888 50 0 IJAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N(Cc1ccccc1)c1ccccn1 ZINC000012822956 526926925 /nfs/dbraw/zinc/92/69/25/526926925.db2.gz CPISFNNKPRTOEE-UHFFFAOYSA-N 0 0 432.483 4.628 50 0 IJAARN Cc1nc(N2CCC(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccccc12 ZINC000011881043 526960665 /nfs/dbraw/zinc/96/06/65/526960665.db2.gz SFMGMCSTSUGHRP-UHFFFAOYSA-N 0 0 442.485 4.832 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)sc1C ZINC000035655224 526987787 /nfs/dbraw/zinc/98/77/87/526987787.db2.gz CDVMHZPIAJFHDX-OAHLLOKOSA-N 0 0 436.566 4.522 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1F)Nc1ccc(Br)cc1 ZINC000032981791 526989049 /nfs/dbraw/zinc/98/90/49/526989049.db2.gz HOSMZPGAXXWKOP-UHFFFAOYSA-N 0 0 443.272 4.858 50 0 IJAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)sc1C ZINC000035655226 526989356 /nfs/dbraw/zinc/98/93/56/526989356.db2.gz CDVMHZPIAJFHDX-HNNXBMFYSA-N 0 0 436.566 4.522 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000012908736 527001394 /nfs/dbraw/zinc/00/13/94/527001394.db2.gz GNGXCTOFOHSKJH-JOCHJYFZSA-N 0 0 429.545 4.698 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(N2CCOCC2)n1 ZINC000021795563 527002512 /nfs/dbraw/zinc/00/25/12/527002512.db2.gz BVFCYKSPUXBQDM-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc(N(C)C)n1 ZINC000021794073 527004305 /nfs/dbraw/zinc/00/43/05/527004305.db2.gz WSQNLTRERPUKDN-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[nH]c(SCc3ccccc3Cl)nc2N1 ZINC000021784935 527022850 /nfs/dbraw/zinc/02/28/50/527022850.db2.gz AKXJWNCHUIKBEI-ZDUSSCGKSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784999 527031891 /nfs/dbraw/zinc/03/18/91/527031891.db2.gz DTRKEIOYQQSAHQ-CQSZACIVSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)NCc1ccc(Cl)cc1Cl ZINC000012902456 527047052 /nfs/dbraw/zinc/04/70/52/527047052.db2.gz PUEXURMARAQKKG-FPYGCLRLSA-N 0 0 437.327 4.830 50 0 IJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)c1ccc(N2CCCC2=O)cc1 ZINC000018961262 527053000 /nfs/dbraw/zinc/05/30/00/527053000.db2.gz PJRIOIAGDXJVSV-UHFFFAOYSA-N 0 0 431.439 4.750 50 0 IJAARN O=C(CSc1nccn1Cc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032572398 527071726 /nfs/dbraw/zinc/07/17/26/527071726.db2.gz MFBZDUQISYTKFX-NRFANRHFSA-N 0 0 449.576 4.549 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000032983643 527074962 /nfs/dbraw/zinc/07/49/62/527074962.db2.gz MAJAEJUWKRNKRS-CYBMUJFWSA-N 0 0 426.592 4.799 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000012543613 527080179 /nfs/dbraw/zinc/08/01/79/527080179.db2.gz MYIAEKAJNFBGJC-UHFFFAOYSA-N 0 0 442.544 4.935 50 0 IJAARN O=C(CSc1nnnn1-c1cccc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000012293159 527093862 /nfs/dbraw/zinc/09/38/62/527093862.db2.gz JMRSAYHIEFYIDS-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN Cn1c2ccccc2nc1NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036617012 527116296 /nfs/dbraw/zinc/11/62/96/527116296.db2.gz KCMPHLIAQDEXMS-UHFFFAOYSA-N 0 0 426.455 4.576 50 0 IJAARN O=C(Nc1cc(NC(=O)N(C[C@H]2CCCO2)C[C@@H]2CCCO2)ccc1F)C1CCCCC1 ZINC000065477884 527128547 /nfs/dbraw/zinc/12/85/47/527128547.db2.gz ZQWAJKLKBYNATA-BGYRXZFFSA-N 0 0 447.551 4.536 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@H]1CCSc2ccccc21 ZINC000014250475 527145401 /nfs/dbraw/zinc/14/54/01/527145401.db2.gz BXMRYYRVXKCKEN-GUYCJALGSA-N 0 0 438.496 4.862 50 0 IJAARN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(Br)cc1 ZINC000021216506 527145475 /nfs/dbraw/zinc/14/54/75/527145475.db2.gz XEZAHCRQFAFTTO-MRXNPFEDSA-N 0 0 445.260 4.838 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)c1ccco1 ZINC000012558230 527162507 /nfs/dbraw/zinc/16/25/07/527162507.db2.gz YXMPPMDKFRTOSG-UHFFFAOYSA-N 0 0 443.425 4.513 50 0 IJAARN O=S(=O)(Cc1ccccc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020522870 527197231 /nfs/dbraw/zinc/19/72/31/527197231.db2.gz DSEOQVDDXMPKIU-HXUWFJFHSA-N 0 0 439.924 4.599 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000022523528 527224604 /nfs/dbraw/zinc/22/46/04/527224604.db2.gz JSFZHEJRVLSJBE-UHFFFAOYSA-N 0 0 436.515 4.978 50 0 IJAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557525 527243655 /nfs/dbraw/zinc/24/36/55/527243655.db2.gz KKZKAGHSIDACBS-SFHVURJKSA-N 0 0 429.567 4.812 50 0 IJAARN O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cc(C(F)(F)F)ccc1Cl ZINC000012601597 527247044 /nfs/dbraw/zinc/24/70/44/527247044.db2.gz FTRCZKINVHAGEO-UHFFFAOYSA-N 0 0 428.215 4.584 50 0 IJAARN O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1cc2ccccc2oc1=O ZINC000033308222 527248773 /nfs/dbraw/zinc/24/87/73/527248773.db2.gz PAXISBWYXUGYTJ-UHFFFAOYSA-N 0 0 439.427 4.674 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccc(C(F)(F)F)c1 ZINC000020554868 527251270 /nfs/dbraw/zinc/25/12/70/527251270.db2.gz DIQVNVCPBITICL-UHFFFAOYSA-N 0 0 448.470 4.563 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccc(Cl)c1 ZINC000020554787 527252384 /nfs/dbraw/zinc/25/23/84/527252384.db2.gz IPBSRZMDGVJWQJ-UHFFFAOYSA-N 0 0 428.945 4.588 50 0 IJAARN O=S(=O)(Nc1cccc([C@@H]2OC[C@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376839 527253191 /nfs/dbraw/zinc/25/31/91/527253191.db2.gz UQDDVJZSYBZOPD-RBBKRZOGSA-N 0 0 445.924 4.634 50 0 IJAARN O=S(=O)(Nc1cccc([C@H]2OC[C@@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376842 527253492 /nfs/dbraw/zinc/25/34/92/527253492.db2.gz UQDDVJZSYBZOPD-IRLDBZIGSA-N 0 0 445.924 4.634 50 0 IJAARN O=C(Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023325913 527278641 /nfs/dbraw/zinc/27/86/41/527278641.db2.gz AZEWOFOTUDPBTH-RUZDIDTESA-N 0 0 449.392 4.925 50 0 IJAARN O=C(Nc1cccc(-c2ccno2)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734866 527309956 /nfs/dbraw/zinc/30/99/56/527309956.db2.gz SKNRVHASOXVHPQ-UHFFFAOYSA-N 0 0 431.521 4.715 50 0 IJAARN Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)C2 ZINC000012754278 527319217 /nfs/dbraw/zinc/31/92/17/527319217.db2.gz LATYXOMKUDWZMS-DNVCBOLYSA-N 0 0 440.897 4.567 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000012933264 527333124 /nfs/dbraw/zinc/33/31/24/527333124.db2.gz BPAIDGGCJXDXDV-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 ZINC000017155810 527337034 /nfs/dbraw/zinc/33/70/34/527337034.db2.gz ZQTWXBDBGCECMX-UHFFFAOYSA-N 0 0 434.348 4.604 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466628 527346515 /nfs/dbraw/zinc/34/65/15/527346515.db2.gz GELAXHYEDUJFCN-LLVKDONJSA-N 0 0 439.773 4.500 50 0 IJAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)Nc1ccccc1Cl ZINC000035399637 527360854 /nfs/dbraw/zinc/36/08/54/527360854.db2.gz LDTPIBJFJKVDLU-UHFFFAOYSA-N 0 0 442.906 4.692 50 0 IJAARN O=C(Nc1ccccc1)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921735 527390774 /nfs/dbraw/zinc/39/07/74/527390774.db2.gz BITHVDYSBBMBRZ-UHFFFAOYSA-N 0 0 440.496 4.790 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc(Br)c1 ZINC000012770676 527406322 /nfs/dbraw/zinc/40/63/22/527406322.db2.gz GMJCVXOLTMVSAF-UHFFFAOYSA-N 0 0 446.351 4.588 50 0 IJAARN O=C(Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 ZINC000012360152 527409607 /nfs/dbraw/zinc/40/96/07/527409607.db2.gz GNTAHQNMPOFUAG-UHFFFAOYSA-N 0 0 441.531 4.688 50 0 IJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(SCc3cscn3)cc2)cc1 ZINC000012560428 527427345 /nfs/dbraw/zinc/42/73/45/527427345.db2.gz JROZGHACGMVHIY-UHFFFAOYSA-N 0 0 434.546 4.652 50 0 IJAARN Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(Br)cc1 ZINC000012341988 527429283 /nfs/dbraw/zinc/42/92/83/527429283.db2.gz ZTEGIFOIOUGUKX-UHFFFAOYSA-N 0 0 434.293 4.767 50 0 IJAARN O=c1nc(CSc2nnnn2C2CCCC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000012678636 527440618 /nfs/dbraw/zinc/44/06/18/527440618.db2.gz DRBZZLUOWQMNEL-UHFFFAOYSA-N 0 0 444.973 4.699 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2noc(-c4ccco4)n2)n1-c1ccccc1)CCC3 ZINC000012854747 527458996 /nfs/dbraw/zinc/45/89/96/527458996.db2.gz BTIURCWERBTQEI-UHFFFAOYSA-N 0 0 448.529 4.871 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccc(F)cc3)nnc2n1CCc1ccccc1 ZINC000035529405 527473100 /nfs/dbraw/zinc/47/31/00/527473100.db2.gz QHICQZVHZYDYAY-UHFFFAOYSA-N 0 0 436.537 4.780 50 0 IJAARN O=C(Nc1nc2ccc(F)cc2s1)c1cc(I)ccc1Cl ZINC000001267355 527513689 /nfs/dbraw/zinc/51/36/89/527513689.db2.gz AIBHODMRNZWMIM-UHFFFAOYSA-N 0 0 432.645 4.946 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c12 ZINC000020516822 527523182 /nfs/dbraw/zinc/52/31/82/527523182.db2.gz FYOXAHMDLFTCIP-KRWDZBQOSA-N 0 0 442.519 4.608 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3cc(C)ccn3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320737 527569001 /nfs/dbraw/zinc/56/90/01/527569001.db2.gz BRMBDBOZKNGKDI-UHFFFAOYSA-N 0 0 435.528 4.560 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021660843 527571889 /nfs/dbraw/zinc/57/18/89/527571889.db2.gz UCNLFCMDNKHLJH-OAHLLOKOSA-N 0 0 425.414 4.560 50 0 IJAARN O=C(C(=O)N1CC(=O)Nc2ccccc21)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000012375610 527663418 /nfs/dbraw/zinc/66/34/18/527663418.db2.gz IRLQRSMSTUWPDR-UHFFFAOYSA-N 0 0 443.890 4.511 50 0 IJAARN C=C1C(N2CCN(c3cccc(C)c3)[C@@H](C)C2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009251846 535238695 /nfs/dbraw/zinc/23/86/95/535238695.db2.gz DHMUUAMZJAPLQR-IBGZPJMESA-N 0 0 437.609 4.802 50 0 IJAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000000706925 535336741 /nfs/dbraw/zinc/33/67/41/535336741.db2.gz ZTWHMGHOWBHZFG-UHFFFAOYSA-N 0 0 430.548 4.867 50 0 IJAARN CCOc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000001217084 535426384 /nfs/dbraw/zinc/42/63/84/535426384.db2.gz LRIADFAHJSIJAO-SANMLTNESA-N 0 0 433.504 4.790 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC[C@@H]2CCCO2)c1)c1ccccc1 ZINC000000736900 535430654 /nfs/dbraw/zinc/43/06/54/535430654.db2.gz DYFCFNKAOGQAHN-XZOQPEGZSA-N 0 0 449.595 4.718 50 0 IJAARN CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000009531047 535606293 /nfs/dbraw/zinc/60/62/93/535606293.db2.gz PLIVCIDOKMQMMQ-UHFFFAOYSA-N 0 0 426.520 4.867 50 0 IJAARN COc1ccc(/C=C(/C(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000001462315 536569795 /nfs/dbraw/zinc/56/97/95/536569795.db2.gz JAOMVMQICRRHSA-HIXSDJFHSA-N 0 0 428.532 4.593 50 0 IJAARN COC(=O)c1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000013161832 536818446 /nfs/dbraw/zinc/81/84/46/536818446.db2.gz SUXONHSYXUQICC-PXLXIMEGSA-N 0 0 426.472 4.730 50 0 IJAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cccc(C)n2)CCC(=O)N1c1ccc(C)cc1 ZINC000009672405 537105829 /nfs/dbraw/zinc/10/58/29/537105829.db2.gz FLVDRADROLGCDU-PXDATVDWSA-N 0 0 429.520 4.830 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000624727 555512002 /nfs/dbraw/zinc/51/20/02/555512002.db2.gz LVLKAKLERLINAL-GOSISDBHSA-N 0 0 428.561 4.869 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccccc2Cl)o1 ZINC000000629412 555514030 /nfs/dbraw/zinc/51/40/30/555514030.db2.gz OMAFOSPPVBWRMB-UHFFFAOYSA-N 0 0 429.900 4.961 50 0 IJAARN COc1cc(-c2cc(=O)n(-c3ccccc3)c(SCC(=O)c3ccccc3)n2)ccc1O ZINC000000636664 555516957 /nfs/dbraw/zinc/51/69/57/555516957.db2.gz UYZUQZXJDAQCEF-UHFFFAOYSA-N 0 0 444.512 4.589 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2c3c(sc2NC(C)=O)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000000644067 555519799 /nfs/dbraw/zinc/51/97/99/555519799.db2.gz QMPFYNNZXIWQPP-HNNXBMFYSA-N 0 0 428.554 4.896 50 0 IJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cccc(I)c1 ZINC000000644321 555519829 /nfs/dbraw/zinc/51/98/29/555519829.db2.gz ZUNYGVCCXFXAQB-UHFFFAOYSA-N 0 0 439.256 4.858 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)F)cc1C(F)F)CCCCC2 ZINC000000650581 555522575 /nfs/dbraw/zinc/52/25/75/555522575.db2.gz MNWVKIRGLRBCSW-UHFFFAOYSA-N 0 0 447.454 4.904 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000000658183 555525780 /nfs/dbraw/zinc/52/57/80/555525780.db2.gz HCDVTKVLCWGYAF-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000000665323 555528381 /nfs/dbraw/zinc/52/83/81/555528381.db2.gz FNMUYZHVHLFYEC-OAHLLOKOSA-N 0 0 431.330 4.536 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000000667202 555529205 /nfs/dbraw/zinc/52/92/05/555529205.db2.gz BSAPOTTZWCQXNU-QGZVFWFLSA-N 0 0 426.563 4.631 50 0 IJAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2NC(=O)COc2cc(C)ccc2C)c1 ZINC000000673666 555532210 /nfs/dbraw/zinc/53/22/10/555532210.db2.gz XKNPYTDHJZHMPF-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)c1 ZINC000000673984 555532582 /nfs/dbraw/zinc/53/25/82/555532582.db2.gz UEJMYYPUMYVQFN-KSSFIOAISA-N 0 0 434.393 4.949 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000000674207 555533091 /nfs/dbraw/zinc/53/30/91/555533091.db2.gz ZJUPUUDKNLYUOV-WBVHZDCISA-N 0 0 436.459 4.544 50 0 IJAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000000682167 555538033 /nfs/dbraw/zinc/53/80/33/555538033.db2.gz YIKKBCWABFYFPB-UHFFFAOYSA-N 0 0 440.590 4.935 50 0 IJAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000000687549 555540721 /nfs/dbraw/zinc/54/07/21/555540721.db2.gz LQXXRDWYOBUHTR-CYBMUJFWSA-N 0 0 436.459 4.705 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)c1 ZINC000000687613 555541057 /nfs/dbraw/zinc/54/10/57/555541057.db2.gz ALARQVTTWRFUFH-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(OC)cc1)c2=O ZINC000000703469 555544050 /nfs/dbraw/zinc/54/40/50/555544050.db2.gz UGTHLAWMIVMVEV-UHFFFAOYSA-N 0 0 438.354 4.555 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000715393 555548603 /nfs/dbraw/zinc/54/86/03/555548603.db2.gz QJRBXNKXQRPQFY-QGZVFWFLSA-N 0 0 428.941 4.533 50 0 IJAARN O=C1[C@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000000720754 555549993 /nfs/dbraw/zinc/54/99/93/555549993.db2.gz UVTHWVMWBLCZPQ-LEWJYISDSA-N 0 0 427.378 4.970 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000000724978 555551285 /nfs/dbraw/zinc/55/12/85/555551285.db2.gz NGXKJTJFJSKQJG-UHFFFAOYSA-N 0 0 427.957 4.866 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2OC(=O)c2ccco2)cc1 ZINC000000727428 555551921 /nfs/dbraw/zinc/55/19/21/555551921.db2.gz ATMQPUYTKZFCSX-UHFFFAOYSA-N 0 0 438.439 4.874 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)cc1)COC(C)(C)C2 ZINC000000752939 555553556 /nfs/dbraw/zinc/55/35/56/555553556.db2.gz LCYQNLDWQPJOTP-UHFFFAOYSA-N 0 0 438.343 4.791 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccnc2)cc1 ZINC000000796424 555558315 /nfs/dbraw/zinc/55/83/15/555558315.db2.gz ZSTVKYLIHIIOJL-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN COc1ccc(Br)cc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000816767 555562888 /nfs/dbraw/zinc/56/28/88/555562888.db2.gz BXOJZPFSNVHJHH-INIZCTEOSA-N 0 0 431.315 4.535 50 0 IJAARN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000000816769 555562903 /nfs/dbraw/zinc/56/29/03/555562903.db2.gz BXOJZPFSNVHJHH-MRXNPFEDSA-N 0 0 431.315 4.535 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000000862873 555572958 /nfs/dbraw/zinc/57/29/58/555572958.db2.gz JTSUMCYVSWHDKW-UHFFFAOYSA-N 0 0 444.344 4.535 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865663 555573590 /nfs/dbraw/zinc/57/35/90/555573590.db2.gz AJWKUUPOJWIAIL-RYUDHWBXSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865896 555573865 /nfs/dbraw/zinc/57/38/65/555573865.db2.gz FDYAFRSSEFXQOM-YPMHNXCESA-N 0 0 441.866 4.583 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 ZINC000000882066 555577694 /nfs/dbraw/zinc/57/76/94/555577694.db2.gz OUWIJQRUPNSGRS-UHFFFAOYSA-N 0 0 433.489 4.644 50 0 IJAARN COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1[C@H](C(=O)OC)CC2 ZINC000000950159 555588834 /nfs/dbraw/zinc/58/88/34/555588834.db2.gz IDBHWRUSWYXQDS-SECBINFHSA-N 0 0 443.308 4.688 50 0 IJAARN O=C(COC(=O)c1cccc(Br)c1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000992888 555597111 /nfs/dbraw/zinc/59/71/11/555597111.db2.gz NACOTZLUJKBVAO-UHFFFAOYSA-N 0 0 439.261 4.708 50 0 IJAARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 ZINC000000992884 555597143 /nfs/dbraw/zinc/59/71/43/555597143.db2.gz BUYLUCASUYWBDW-UHFFFAOYSA-N 0 0 445.496 4.680 50 0 IJAARN COC(=O)c1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc(C(=O)OC)c1 ZINC000000995366 555598360 /nfs/dbraw/zinc/59/83/60/555598360.db2.gz IHFWAEUPAKESTC-OAQYLSRUSA-N 0 0 435.501 4.732 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1OC ZINC000000995083 555598378 /nfs/dbraw/zinc/59/83/78/555598378.db2.gz XCKMTHCNAKIKHA-UHFFFAOYSA-N 0 0 442.471 4.943 50 0 IJAARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(Nc3ccc(C)cc3)C=C(C)[C@@H]2C(=O)OC)cc1 ZINC000001019505 555603397 /nfs/dbraw/zinc/60/33/97/555603397.db2.gz WGCMAJCJJWEHFZ-GOTSBHOMSA-N 0 0 435.520 4.766 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000001023504 555603975 /nfs/dbraw/zinc/60/39/75/555603975.db2.gz IZKDAZJREYBVCJ-UHFFFAOYSA-N 0 0 427.961 4.911 50 0 IJAARN COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C(F)(F)F)s1 ZINC000001033407 555606701 /nfs/dbraw/zinc/60/67/01/555606701.db2.gz HVZFNNCAOYGFFL-LBPRGKRZSA-N 0 0 447.500 4.641 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000001056920 555614535 /nfs/dbraw/zinc/61/45/35/555614535.db2.gz WLUFDSLHEYXDLM-UHFFFAOYSA-N 0 0 439.309 4.891 50 0 biogenic IJAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000001064872 555617881 /nfs/dbraw/zinc/61/78/81/555617881.db2.gz BKLXITOMLQVTBW-UHFFFAOYSA-N 0 0 443.290 4.997 50 0 IJAARN COc1c(C(=O)NC(=S)Nc2ccc(C)cc2O)cc2ccccc2c1Br ZINC000001065685 555618209 /nfs/dbraw/zinc/61/82/09/555618209.db2.gz PULBIBMQNMXDRM-UHFFFAOYSA-N 0 0 445.338 4.752 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(I)c1OCC ZINC000001065463 555618267 /nfs/dbraw/zinc/61/82/67/555618267.db2.gz YWDWWSKBYYZBPI-UHFFFAOYSA-N 0 0 425.266 4.649 50 0 IJAARN Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NC[C@@H]3CCCO3)c2c1 ZINC000001068304 555619651 /nfs/dbraw/zinc/61/96/51/555619651.db2.gz WYQGMNWVNZQVKI-KRWDZBQOSA-N 0 0 425.326 4.882 50 0 IJAARN COC(=O)c1sc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)nc1C ZINC000001068305 555619663 /nfs/dbraw/zinc/61/96/63/555619663.db2.gz CEHLAIMXLWOMIX-UHFFFAOYSA-N 0 0 432.505 4.717 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000001072337 555621896 /nfs/dbraw/zinc/62/18/96/555621896.db2.gz RQRAICTXEJDNDB-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000001099959 555628473 /nfs/dbraw/zinc/62/84/73/555628473.db2.gz XBXQLQMCVPQZGX-UHFFFAOYSA-N 0 0 426.472 4.549 50 0 IJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 ZINC000001104441 555629263 /nfs/dbraw/zinc/62/92/63/555629263.db2.gz NWTIEDNGRVAIEX-UHFFFAOYSA-N 0 0 430.439 4.525 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000001108467 555629873 /nfs/dbraw/zinc/62/98/73/555629873.db2.gz XPZGXXMKPXQXAD-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN CC(=O)O[C@@H](COc1ccc2ccccc2c1Br)Cn1cnc2ccccc21 ZINC000001108396 555629916 /nfs/dbraw/zinc/62/99/16/555629916.db2.gz HIVIFKNUNAIAEW-QGZVFWFLSA-N 0 0 439.309 4.963 50 0 IJAARN O=c1c(-c2cccs2)[n+]([O-])c2ccccc2n1OCc1ccc(Oc2ccccc2)cc1 ZINC000001110162 555631091 /nfs/dbraw/zinc/63/10/91/555631091.db2.gz GMIVSPUVUBUWHE-UHFFFAOYSA-N 0 0 442.496 4.785 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C1CCCCC1 ZINC000001115559 555634217 /nfs/dbraw/zinc/63/42/17/555634217.db2.gz JTISIIOTRMVJSW-UHFFFAOYSA-N 0 0 436.961 4.665 50 0 IJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)Nc1nc(C)cc(C)n1 ZINC000001117377 555635222 /nfs/dbraw/zinc/63/52/22/555635222.db2.gz PSWLDVXZINMYPH-UHFFFAOYSA-N 0 0 426.567 4.731 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F ZINC000001119294 555636450 /nfs/dbraw/zinc/63/64/50/555636450.db2.gz IVWMEOXXOQSWFU-UHFFFAOYSA-N 0 0 448.903 4.676 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1nc(-c2ccccc2)cs1 ZINC000001119647 555636683 /nfs/dbraw/zinc/63/66/83/555636683.db2.gz LGUWTLMEFRIIER-UHFFFAOYSA-N 0 0 427.942 4.979 50 0 IJAARN CSc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000001120644 555637590 /nfs/dbraw/zinc/63/75/90/555637590.db2.gz OBGIDHLCRIURCO-UHFFFAOYSA-N 0 0 436.574 4.510 50 0 IJAARN O=C(COc1ccc(I)cc1)Nc1ccccc1-c1ccccc1 ZINC000001122375 555638455 /nfs/dbraw/zinc/63/84/55/555638455.db2.gz KHFFKCSKRTWNCE-UHFFFAOYSA-N 0 0 429.257 4.976 50 0 IJAARN CC[C@@H](C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001124063 555639367 /nfs/dbraw/zinc/63/93/67/555639367.db2.gz GVGWPCHJEPPILX-CYBMUJFWSA-N 0 0 429.369 4.766 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000001126221 555640706 /nfs/dbraw/zinc/64/07/06/555640706.db2.gz DRLFPDGSAXPMOZ-IBGZPJMESA-N 0 0 444.869 4.612 50 0 IJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)CCc1ccccc1 ZINC000001126177 555640753 /nfs/dbraw/zinc/64/07/53/555640753.db2.gz JPYBGZHKWPMVCI-UHFFFAOYSA-N 0 0 449.967 4.828 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001131888 555645054 /nfs/dbraw/zinc/64/50/54/555645054.db2.gz PSXFNYJVQSIDEK-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000001133305 555646007 /nfs/dbraw/zinc/64/60/07/555646007.db2.gz BVTBXCMRCQKNJF-UHFFFAOYSA-N 0 0 433.467 4.797 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001137131 555647427 /nfs/dbraw/zinc/64/74/27/555647427.db2.gz CYIMXBHIYVDZSB-INIZCTEOSA-N 0 0 444.940 4.926 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001138003 555648038 /nfs/dbraw/zinc/64/80/38/555648038.db2.gz KLWRZDCZDOUYNW-UHFFFAOYSA-N 0 0 434.439 4.687 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000001139957 555649467 /nfs/dbraw/zinc/64/94/67/555649467.db2.gz QBQCPSNQUZYKDR-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN Cn1nc(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000001140866 555649738 /nfs/dbraw/zinc/64/97/38/555649738.db2.gz BQHSNCPYUZJNCZ-UHFFFAOYSA-N 0 0 435.936 4.919 50 0 IJAARN O=C(NC1CCCCC1)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)CCCC2 ZINC000001141355 555650074 /nfs/dbraw/zinc/65/00/74/555650074.db2.gz JTHHPLWZOCLSTF-UHFFFAOYSA-N 0 0 426.538 4.670 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001141749 555650305 /nfs/dbraw/zinc/65/03/05/555650305.db2.gz PGQMGQIPEKHDBO-UHFFFAOYSA-N 0 0 448.894 4.634 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccncc2)cc1C ZINC000001144137 555652038 /nfs/dbraw/zinc/65/20/38/555652038.db2.gz YAZGQWZUZGOSHC-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN O[C@@H](CNc1ccc(Br)cc1)COc1ccc(OCc2ccccc2)cc1 ZINC000001148279 555654961 /nfs/dbraw/zinc/65/49/61/555654961.db2.gz XDUCXLQATDHMTN-FQEVSTJZSA-N 0 0 428.326 4.880 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl ZINC000001148835 555655320 /nfs/dbraw/zinc/65/53/20/555655320.db2.gz NDSUZLGZCARNFC-UHFFFAOYSA-N 0 0 445.953 4.789 50 0 IJAARN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000001149579 555655543 /nfs/dbraw/zinc/65/55/43/555655543.db2.gz PYYRHQVBCNQNAD-UHFFFAOYSA-N 0 0 427.547 4.859 50 0 IJAARN CC1(C)C(=O)[C@](C)(CC(=O)c2ccc(Br)cc2)C(=O)O[C@@H]1c1ccccc1 ZINC000001150341 555656068 /nfs/dbraw/zinc/65/60/68/555656068.db2.gz BPBIGKXXPPRDGP-GCJKJVERSA-N 0 0 429.310 4.922 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(F)cc1 ZINC000001150649 555656098 /nfs/dbraw/zinc/65/60/98/555656098.db2.gz DNZZMOHUMGQUBX-MHZLTWQESA-N 0 0 425.459 4.986 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(Cl)c3)n2)cc1OC ZINC000001157923 555660145 /nfs/dbraw/zinc/66/01/45/555660145.db2.gz IOIBXRGZZHXVLM-UHFFFAOYSA-N 0 0 433.942 4.608 50 0 IJAARN CCOc1ccc(Br)c([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000001159460 555660862 /nfs/dbraw/zinc/66/08/62/555660862.db2.gz SDMDIPDESVTJJY-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN Cc1cccc(CN(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001161119 555661749 /nfs/dbraw/zinc/66/17/49/555661749.db2.gz FVZSDMYEMSFZGZ-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000001162168 555662340 /nfs/dbraw/zinc/66/23/40/555662340.db2.gz OISQXUYJFABFSY-VVBXCHJUSA-N 0 0 445.313 4.732 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000001171528 555666964 /nfs/dbraw/zinc/66/69/64/555666964.db2.gz MZWUEGHATTZALX-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccc(F)cc2)cc1 ZINC000001173365 555668121 /nfs/dbraw/zinc/66/81/21/555668121.db2.gz CCLCVCOTAIETBP-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1Cl ZINC000001178153 555670563 /nfs/dbraw/zinc/67/05/63/555670563.db2.gz ZTEJGVYBMZATMC-OAHLLOKOSA-N 0 0 447.874 4.877 50 0 IJAARN O=C(COc1ccccc1)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000001183544 555673056 /nfs/dbraw/zinc/67/30/56/555673056.db2.gz IELMOULOCCNYLE-UHFFFAOYSA-N 0 0 435.530 4.561 50 0 IJAARN COC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000001185931 555674291 /nfs/dbraw/zinc/67/42/91/555674291.db2.gz GQHPXRGKEGBAKT-DHDCSXOGSA-N 0 0 438.288 4.786 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)c1 ZINC000001193800 555676103 /nfs/dbraw/zinc/67/61/03/555676103.db2.gz LIVVUXBLOXEAMB-INIZCTEOSA-N 0 0 448.778 4.855 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001198067 555677661 /nfs/dbraw/zinc/67/76/61/555677661.db2.gz JYUOZEIHCBWZBW-AWEZNQCLSA-N 0 0 426.460 4.521 50 0 IJAARN CSc1nnc2c(n1)O[C@H](c1c(C)nn(-c3ccccc3)c1Cl)Nc1ccccc1-2 ZINC000001203486 555679444 /nfs/dbraw/zinc/67/94/44/555679444.db2.gz VOWMBOOOLDJRLT-LJQANCHMSA-N 0 0 436.928 4.911 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001215162 555683657 /nfs/dbraw/zinc/68/36/57/555683657.db2.gz SBUNKHYTYOEKGP-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000001218649 555685081 /nfs/dbraw/zinc/68/50/81/555685081.db2.gz LETVJRRSAVFCEP-KRWDZBQOSA-N 0 0 434.721 4.678 50 0 IJAARN O=C(NC(=S)Nc1ccccc1OC(F)F)c1cc(Br)ccc1Cl ZINC000001268492 555688695 /nfs/dbraw/zinc/68/86/95/555688695.db2.gz DFRBJEIALHYPKC-UHFFFAOYSA-N 0 0 435.677 4.831 50 0 IJAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000001413791 555694672 /nfs/dbraw/zinc/69/46/72/555694672.db2.gz UBQXZUPVOPFFCY-UHFFFAOYSA-N 0 0 435.530 4.804 50 0 IJAARN COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1OC ZINC000001416741 555695341 /nfs/dbraw/zinc/69/53/41/555695341.db2.gz UIPUJCGITUDQCP-RQZCQDPDSA-N 0 0 437.876 4.741 50 0 IJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OCC4CCCCC4)c(C)c3C(=O)C2)c1 ZINC000001440764 555697664 /nfs/dbraw/zinc/69/76/64/555697664.db2.gz NWGLNYVKNABOHM-KRWDZBQOSA-N 0 0 425.525 4.990 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccc(F)cc1 ZINC000001446142 555699000 /nfs/dbraw/zinc/69/90/00/555699000.db2.gz BYRFKRUGSJPDKV-VXKWHMMOSA-N 0 0 425.843 4.739 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000001448417 555699640 /nfs/dbraw/zinc/69/96/40/555699640.db2.gz CHWXZBAEMSSPMQ-XZOQPEGZSA-N 0 0 427.522 4.652 50 0 IJAARN CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000001776159 555714041 /nfs/dbraw/zinc/71/40/41/555714041.db2.gz BWJQJMRLXWKBMU-UHFFFAOYSA-N 0 0 429.856 4.544 50 0 IJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775138 555714065 /nfs/dbraw/zinc/71/40/65/555714065.db2.gz NXPLDAUYCRLMSD-CQSZACIVSA-N 0 0 432.856 4.586 50 0 IJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC000001778248 555714293 /nfs/dbraw/zinc/71/42/93/555714293.db2.gz IJNHIZOHAIDNES-HNNXBMFYSA-N 0 0 431.554 4.856 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 ZINC000001936728 555725822 /nfs/dbraw/zinc/72/58/22/555725822.db2.gz PQHBLMXSDCKWRR-DEOSSOPVSA-N 0 0 437.503 4.785 50 0 IJAARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002058763 555731410 /nfs/dbraw/zinc/73/14/10/555731410.db2.gz JLCDIOZXYKVTEB-JOCHJYFZSA-N 0 0 440.565 4.532 50 0 IJAARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1OCc1ccccc1 ZINC000002058762 555731503 /nfs/dbraw/zinc/73/15/03/555731503.db2.gz JLCDIOZXYKVTEB-QFIPXVFZSA-N 0 0 440.565 4.532 50 0 IJAARN CCCOc1c(Br)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC ZINC000002081679 555738400 /nfs/dbraw/zinc/73/84/00/555738400.db2.gz APOZKVMSYPSNKZ-MHWRWJLKSA-N 0 0 434.261 4.730 50 0 IJAARN CCCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002088402 555740498 /nfs/dbraw/zinc/74/04/98/555740498.db2.gz KMNZIUAQJGRPHZ-CABCVRRESA-N 0 0 445.283 4.836 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0 0 442.968 4.721 50 0 IJAARN O=C(NC(=S)Nc1cccc2ccccc21)c1cccc(I)c1 ZINC000002982314 555872805 /nfs/dbraw/zinc/87/28/05/555872805.db2.gz IIEARHATQPAWAV-UHFFFAOYSA-N 0 0 432.286 4.571 50 0 IJAARN COc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1Br ZINC000002988835 555874483 /nfs/dbraw/zinc/87/44/83/555874483.db2.gz FCYKSEJPPBBVED-UHFFFAOYSA-N 0 0 439.689 4.500 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 ZINC000034734024 555878496 /nfs/dbraw/zinc/87/84/96/555878496.db2.gz XOFIWCWNYNUPDS-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000034734542 555879291 /nfs/dbraw/zinc/87/92/91/555879291.db2.gz CAZVZKRMUSQTDX-UHFFFAOYSA-N 0 0 443.503 4.808 50 0 IJAARN CC(C)CC(=O)N[C@@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034931 555882337 /nfs/dbraw/zinc/88/23/37/555882337.db2.gz VOZVVBGLMRGGNA-GFCCVEGCSA-N 0 0 449.547 4.562 50 0 IJAARN COc1ccc(NC(=O)C2CCCC2)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000034739759 555882701 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50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(F)c3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813349 555910112 /nfs/dbraw/zinc/91/01/12/555910112.db2.gz ABROPTKQMBVION-UHFFFAOYSA-N 0 0 445.494 4.785 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C ZINC000034860677 555924928 /nfs/dbraw/zinc/92/49/28/555924928.db2.gz FWOHRSSOPXUDSB-VWLOTQADSA-N 0 0 448.542 4.811 50 0 IJAARN O=C(N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000034924435 555933314 /nfs/dbraw/zinc/93/33/14/555933314.db2.gz KYXALFRHGYLKGW-UHFFFAOYSA-N 0 0 445.028 4.955 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000004083944 555959530 /nfs/dbraw/zinc/95/95/30/555959530.db2.gz UDPGHBMLPMRGPN-VWLOTQADSA-N 0 0 442.515 4.679 50 0 IJAARN COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000004773735 556011175 /nfs/dbraw/zinc/01/11/75/556011175.db2.gz BOCZYIUKFAQNLG-OKLSWEBGSA-N 0 0 425.500 4.717 50 0 in-vitro IJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000004911870 556020829 /nfs/dbraw/zinc/02/08/29/556020829.db2.gz RHLIFDGFLZBUMK-OAHLLOKOSA-N 0 0 429.513 4.609 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000006142051 556077031 /nfs/dbraw/zinc/07/70/31/556077031.db2.gz GNQZNWLVJIDMTL-QHAWAJNXSA-N 0 0 449.304 4.500 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(OC)cc3)c3c(F)cc(F)cc3c2=O)cc1 ZINC000002687722 556118964 /nfs/dbraw/zinc/11/89/64/556118964.db2.gz PFBYVCKFFKFVKS-UHFFFAOYSA-N 0 0 449.453 4.966 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1ccccc1Cl ZINC000002691095 556122064 /nfs/dbraw/zinc/12/20/64/556122064.db2.gz IVYYHSVPOFUISS-UHFFFAOYSA-N 0 0 439.920 4.545 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000002761519 556135771 /nfs/dbraw/zinc/13/57/71/556135771.db2.gz FYAXBRKGBQGUMH-UHFFFAOYSA-N 0 0 425.362 4.868 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1sc2c(c1Cl)c(OC(F)F)ccc2Br ZINC000002782628 556138342 /nfs/dbraw/zinc/13/83/42/556138342.db2.gz UZCYAKRLUPHPIL-SSDOTTSWSA-N 0 0 440.693 4.827 50 0 IJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)c2cccnc12 ZINC000002785598 556138542 /nfs/dbraw/zinc/13/85/42/556138542.db2.gz KSGGFFNFLNNQGR-UHFFFAOYSA-N 0 0 447.642 4.813 50 0 IJAARN O=C(Nc1ncn(Cc2cccc(F)c2)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002799745 556142127 /nfs/dbraw/zinc/14/21/27/556142127.db2.gz HDLARTAWZAWTCQ-UHFFFAOYSA-N 0 0 432.242 4.680 50 0 IJAARN CSc1nsc(SC)c1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C ZINC000002791651 556144037 /nfs/dbraw/zinc/14/40/37/556144037.db2.gz HTSNSSIORMDUQH-UHFFFAOYSA-N 0 0 444.957 4.584 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCSc1nnc(C)s1 ZINC000002889156 556147549 /nfs/dbraw/zinc/14/75/49/556147549.db2.gz UIVGLHFCALNRBL-UHFFFAOYSA-N 0 0 433.580 4.873 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000002984738 556154198 /nfs/dbraw/zinc/15/41/98/556154198.db2.gz MFOOUPKJASXBAL-OAQYLSRUSA-N 0 0 429.944 4.818 50 0 IJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)CC1 ZINC000003008447 556154976 /nfs/dbraw/zinc/15/49/76/556154976.db2.gz JHZOVVWZHLDCMO-UHFFFAOYSA-N 0 0 429.586 4.544 50 0 IJAARN CCCCc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 ZINC000003015408 556158280 /nfs/dbraw/zinc/15/82/80/556158280.db2.gz LMJQNMRSXKHUEB-UHFFFAOYSA-N 0 0 445.563 4.818 50 0 IJAARN CCOC(=O)c1cccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000008383539 556159430 /nfs/dbraw/zinc/15/94/30/556159430.db2.gz DRKXFVRXILLAJM-UHFFFAOYSA-N 0 0 428.444 4.937 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N2CCCCCC2)cc1 ZINC000008400118 556165902 /nfs/dbraw/zinc/16/59/02/556165902.db2.gz GMQXZMLUWQSYEB-LTGZKZEYSA-N 0 0 441.369 4.931 50 0 IJAARN O=C(OC1CCCCC1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000008406378 556166817 /nfs/dbraw/zinc/16/68/17/556166817.db2.gz HIBVRMAJYWBDKI-UHFFFAOYSA-N 0 0 430.092 4.808 50 0 IJAARN COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000008414471 556167353 /nfs/dbraw/zinc/16/73/53/556167353.db2.gz BNIQVYSNNPVNOB-KQWNVCNZSA-N 0 0 434.561 4.503 50 0 biogenic IJAARN COc1cccc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)c1OCc1ccccc1 ZINC000008425946 556168535 /nfs/dbraw/zinc/16/85/35/556168535.db2.gz IQQSLKIVKCXFOI-HMAPJEAMSA-N 0 0 442.540 4.661 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCC ZINC000008426761 556169402 /nfs/dbraw/zinc/16/94/02/556169402.db2.gz KNFTYOJHOJIYNM-ODLFYWEKSA-N 0 0 428.941 4.525 50 0 IJAARN CCCCCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1CC ZINC000008438512 556174365 /nfs/dbraw/zinc/17/43/65/556174365.db2.gz UMQKFDKEHKPQAG-WJDWOHSUSA-N 0 0 428.385 4.592 50 0 IJAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1Cl ZINC000008439266 556175480 /nfs/dbraw/zinc/17/54/80/556175480.db2.gz YUBRIHNODZHZAA-LPYMAVHISA-N 0 0 448.931 4.698 50 0 IJAARN CCC[C@@H](C(=O)n1nc(C)cc1C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000008442241 556177159 /nfs/dbraw/zinc/17/71/59/556177159.db2.gz XVDOZMYITBYVON-PKTZIBPZSA-N 0 0 439.581 4.585 50 0 IJAARN O=c1/c(=C/c2cc(Cl)ccc2OCc2ccccc2F)sc2nc3ccccc3n12 ZINC000008442347 556177341 /nfs/dbraw/zinc/17/73/41/556177341.db2.gz CDDDNUUWUKSUCL-MTJSOVHGSA-N 0 0 436.895 4.828 50 0 IJAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008451048 556181910 /nfs/dbraw/zinc/18/19/10/556181910.db2.gz FYXWGYFGOIZAKB-UHFFFAOYSA-N 0 0 447.560 4.973 50 0 IJAARN CC[C@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454314 556185029 /nfs/dbraw/zinc/18/50/29/556185029.db2.gz VSGHKYNDRFWKGI-ZBFQPJSCSA-N 0 0 433.228 4.994 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003062929 556187290 /nfs/dbraw/zinc/18/72/90/556187290.db2.gz LZKZQEPVGVYEPX-YCIYHOANSA-N 0 0 444.328 4.585 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(C)cc4)c3C)no2)cc1OC ZINC000008592914 556189617 /nfs/dbraw/zinc/18/96/17/556189617.db2.gz NCBHLKLQLIEYKM-UHFFFAOYSA-N 0 0 446.507 4.781 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000008594968 556190270 /nfs/dbraw/zinc/19/02/70/556190270.db2.gz PWHMBDDBKAJKRG-SANMLTNESA-N 0 0 444.556 4.737 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)c1 ZINC000008687358 556200238 /nfs/dbraw/zinc/20/02/38/556200238.db2.gz GTOPYMJHKLMZJK-PXLXIMEGSA-N 0 0 448.906 4.926 50 0 IJAARN O=C(NN1CCOCC1)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc21 ZINC000008741966 556207314 /nfs/dbraw/zinc/20/73/14/556207314.db2.gz BDIOIIFESCTGTJ-UHFFFAOYSA-N 0 0 433.895 4.792 50 0 IJAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000008745474 556209093 /nfs/dbraw/zinc/20/90/93/556209093.db2.gz XETBSAKIHQIUPY-UHFFFAOYSA-N 0 0 448.569 4.660 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1C ZINC000009225670 556259558 /nfs/dbraw/zinc/25/95/58/556259558.db2.gz YHINALXBICBJIE-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCc2ccccc2)cc1 ZINC000009265274 556270681 /nfs/dbraw/zinc/27/06/81/556270681.db2.gz KUFFESPPLPQJDQ-UHFFFAOYSA-N 0 0 442.588 4.769 50 0 IJAARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289577 556273737 /nfs/dbraw/zinc/27/37/37/556273737.db2.gz MIYPVLIJNWDHKV-HSZRJFAPSA-N 0 0 444.466 4.817 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4C)o3)n2)cc1 ZINC000009289607 556273793 /nfs/dbraw/zinc/27/37/93/556273793.db2.gz DWYIVOSVYBMBMH-UHFFFAOYSA-N 0 0 438.534 4.908 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294976 556274301 /nfs/dbraw/zinc/27/43/01/556274301.db2.gz OXUAGARAZZCIIP-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)NC2=S)cc1 ZINC000009295889 556275164 /nfs/dbraw/zinc/27/51/64/556275164.db2.gz OCRPDSPNBWIDQW-KQWNVCNZSA-N 0 0 430.529 4.927 50 0 IJAARN COc1ccc(-c2nc3c(s2)CN(C(=S)Nc2cccc(F)c2)CC3)cc1OC ZINC000013693528 556282913 /nfs/dbraw/zinc/28/29/13/556282913.db2.gz MSDOBRQTZHBWED-UHFFFAOYSA-N 0 0 429.542 4.722 50 0 IJAARN COc1ccc(OC)c([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000009359597 556285429 /nfs/dbraw/zinc/28/54/29/556285429.db2.gz JHDSSZONUOSKPT-XMMPIXPASA-N 0 0 429.451 4.983 50 0 IJAARN CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1 ZINC000009426498 556290203 /nfs/dbraw/zinc/29/02/03/556290203.db2.gz CPCVBFNLETYYSZ-UHFFFAOYSA-N 0 0 429.520 4.916 50 0 IJAARN O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NCCc1c[nH]c2ccccc12 ZINC000013721623 556290584 /nfs/dbraw/zinc/29/05/84/556290584.db2.gz QGVXVLSCLBTKIE-UHFFFAOYSA-N 0 0 432.520 4.574 50 0 IJAARN COc1ccc(CCc2nnc3sc(COc4cccc5ccccc54)nn23)cc1OC ZINC000013722577 556290988 /nfs/dbraw/zinc/29/09/88/556290988.db2.gz ZYZCWQCIDCVOMM-UHFFFAOYSA-N 0 0 446.532 4.720 50 0 IJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009489236 556294866 /nfs/dbraw/zinc/29/48/66/556294866.db2.gz SCFFAIQSJOQDFE-UHFFFAOYSA-N 0 0 444.944 4.586 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccncc1)Nc1ccc(Br)cc1-2 ZINC000009557715 556298023 /nfs/dbraw/zinc/29/80/23/556298023.db2.gz JTALNYWDLLBEKD-INIZCTEOSA-N 0 0 430.331 4.701 50 0 IJAARN CCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs/c1=N\c1ccccc1 ZINC000013752134 556299440 /nfs/dbraw/zinc/29/94/40/556299440.db2.gz FVXSIHTWKDTTFE-FCQUAONHSA-N 0 0 427.595 4.644 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000032744885 556299730 /nfs/dbraw/zinc/29/97/30/556299730.db2.gz DVPTYFOCWZISNE-GJZGRUSLSA-N 0 0 429.538 4.542 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000032744887 556300377 /nfs/dbraw/zinc/30/03/77/556300377.db2.gz DVPTYFOCWZISNE-CABCVRRESA-N 0 0 429.538 4.542 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025060 556302039 /nfs/dbraw/zinc/30/20/39/556302039.db2.gz HBONYVYLVBYDCE-UHFFFAOYSA-N 0 0 444.491 4.795 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000032744900 556302797 /nfs/dbraw/zinc/30/27/97/556302797.db2.gz NCESEQQSKMGHSI-FQEVSTJZSA-N 0 0 448.350 4.513 50 0 IJAARN O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000009761108 556308295 /nfs/dbraw/zinc/30/82/95/556308295.db2.gz OVZQQHTYDUPHLY-MRXNPFEDSA-N 0 0 447.638 4.712 50 0 IJAARN Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c(Br)c1 ZINC000013785913 556308872 /nfs/dbraw/zinc/30/88/72/556308872.db2.gz NXUMTYFIINESJP-YBFXNURJSA-N 0 0 437.318 4.788 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(Nc2ccc(F)cc2)c2ccccc23)c1 ZINC000009829923 556309994 /nfs/dbraw/zinc/30/99/94/556309994.db2.gz ZUTJMQJLJXPWFH-UHFFFAOYSA-N 0 0 447.495 4.610 50 0 IJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)c2ccccc2Br)cc1 ZINC000013811056 556312226 /nfs/dbraw/zinc/31/22/26/556312226.db2.gz PLIAWTJEFLGEMT-UHFFFAOYSA-N 0 0 439.338 4.861 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)s1 ZINC000009908140 556316334 /nfs/dbraw/zinc/31/63/34/556316334.db2.gz JZUGZNSZZHIEPZ-UHFFFAOYSA-N 0 0 442.610 4.732 50 0 IJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(F)ccc1Br ZINC000032747986 556316672 /nfs/dbraw/zinc/31/66/72/556316672.db2.gz UPKBAYWHDZJRDT-GOSISDBHSA-N 0 0 425.729 4.809 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933938 556317298 /nfs/dbraw/zinc/31/72/98/556317298.db2.gz IXUSNUHUHGZQER-QFIPXVFZSA-N 0 0 435.524 4.502 50 0 IJAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 ZINC000013842566 556317866 /nfs/dbraw/zinc/31/78/66/556317866.db2.gz RTEVBWAANKNNBI-UHFFFAOYSA-N 0 0 434.931 4.876 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013845199 556318757 /nfs/dbraw/zinc/31/87/57/556318757.db2.gz XPFVZWKLKPCCSD-MRXNPFEDSA-N 0 0 428.941 4.800 50 0 IJAARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013847354 556319417 /nfs/dbraw/zinc/31/94/17/556319417.db2.gz QFAULVWRRCHHBE-XMSQKQJNSA-N 0 0 432.520 4.982 50 0 IJAARN O=C(Nc1cc(C(=O)NC2CCCCC2)ccc1C(=O)NC1CCCCC1)c1ccco1 ZINC000009972169 556319571 /nfs/dbraw/zinc/31/95/71/556319571.db2.gz RATPNQNBJKOVRC-UHFFFAOYSA-N 0 0 437.540 4.657 50 0 IJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O)c1cccs1 ZINC000013856603 556321020 /nfs/dbraw/zinc/32/10/20/556321020.db2.gz JBCREGJHYGVRHB-UHFFFAOYSA-N 0 0 441.464 4.742 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000013856486 556321173 /nfs/dbraw/zinc/32/11/73/556321173.db2.gz KQBMJCOIXGFHFI-SANMLTNESA-N 0 0 446.572 4.742 50 0 IJAARN CCCC[C@H](C(=O)OCC(C)C)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857919 556321724 /nfs/dbraw/zinc/32/17/24/556321724.db2.gz WGRSPVHLKPWJFB-JEZXRVLCSA-N 0 0 445.559 4.637 50 0 IJAARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@@H]2c1ccc(Cl)cc1 ZINC000010059671 556324078 /nfs/dbraw/zinc/32/40/78/556324078.db2.gz RJOOFVMJSUPQQT-KRWDZBQOSA-N 0 0 434.714 4.952 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1 ZINC000032552083 556326639 /nfs/dbraw/zinc/32/66/39/556326639.db2.gz GDBGIARPZHZDFH-UHFFFAOYSA-N 0 0 438.380 4.676 50 0 IJAARN CN(Cc1ccc(Cl)cc1)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000032770194 556334575 /nfs/dbraw/zinc/33/45/75/556334575.db2.gz CYEAFJIZAPTRHO-UHFFFAOYSA-N 0 0 425.945 4.860 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1=O ZINC000010461865 556335496 /nfs/dbraw/zinc/33/54/96/556335496.db2.gz XAOXFEDFYZCSER-MRXNPFEDSA-N 0 0 447.457 4.545 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc(Cl)c1OCCC(C)C ZINC000032772901 556335576 /nfs/dbraw/zinc/33/55/76/556335576.db2.gz BULFKJRHWUOPAN-CYBMUJFWSA-N 0 0 432.904 4.745 50 0 IJAARN COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1F ZINC000022919375 556339830 /nfs/dbraw/zinc/33/98/30/556339830.db2.gz LIBXAXQQXACVRJ-FQEVSTJZSA-N 0 0 447.554 4.646 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Br)NC(=S)N1 ZINC000013942688 556340025 /nfs/dbraw/zinc/34/00/25/556340025.db2.gz XGABAQVSTXWHCM-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1ccnc(N(C(=O)CCCOc2ccccc2)C(=O)CCCOc2ccccc2)c1 ZINC000013944194 556341415 /nfs/dbraw/zinc/34/14/15/556341415.db2.gz ZPPRTMSERNLCER-UHFFFAOYSA-N 0 0 432.520 4.968 50 0 IJAARN Cc1ccc(CNC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)o1 ZINC000013945793 556343062 /nfs/dbraw/zinc/34/30/62/556343062.db2.gz UNVNTEAVGCFBGQ-VWLOTQADSA-N 0 0 427.504 4.629 50 0 IJAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000013946367 556343728 /nfs/dbraw/zinc/34/37/28/556343728.db2.gz UPUOQTNHZACMCA-UHFFFAOYSA-N 0 0 445.338 4.512 50 0 IJAARN COc1ccc(-n2ccnc2CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000011663804 556344821 /nfs/dbraw/zinc/34/48/21/556344821.db2.gz YLNYIRMTDWZBGB-NRFANRHFSA-N 0 0 433.552 4.763 50 0 IJAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccc3c(c2)OCO3)n1 ZINC000011666185 556346136 /nfs/dbraw/zinc/34/61/36/556346136.db2.gz HDLRTMWQUILVHH-MHZLTWQESA-N 0 0 439.515 4.707 50 0 IJAARN Cc1nn(Cc2cccc(C(=O)NCc3ccc4ncccc4c3)c2)c(C)c1Br ZINC000013959629 556346379 /nfs/dbraw/zinc/34/63/79/556346379.db2.gz HECPMEGUERYARQ-UHFFFAOYSA-N 0 0 449.352 4.789 50 0 IJAARN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000011691737 556346811 /nfs/dbraw/zinc/34/68/11/556346811.db2.gz FLZQMQNJFHDFPB-FKBYEOEOSA-N 0 0 436.870 4.526 50 0 IJAARN Cc1ncc(Cc2ccccc2)c([C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)n1 ZINC000011788055 556354196 /nfs/dbraw/zinc/35/41/96/556354196.db2.gz QKBWLSPXHCLBAL-HXUWFJFHSA-N 0 0 435.955 4.814 50 0 IJAARN COc1ccc(-c2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc2OC)cc1 ZINC000014076878 556362193 /nfs/dbraw/zinc/36/21/93/556362193.db2.gz RQLOPBNNSBJKPC-FQEVSTJZSA-N 0 0 436.533 4.676 50 0 IJAARN C[C@@]1(CCc2ccc(Oc3ncnc4sc(-c5ccccc5)cc43)cc2)NC(=O)NC1=O ZINC000014115317 556370679 /nfs/dbraw/zinc/37/06/79/556370679.db2.gz ADTKVJWRNAKGLP-DEOSSOPVSA-N 0 0 444.516 4.681 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SC[C@@H]1CCCO1)O[C@@H](C)C2 ZINC000014128595 556373885 /nfs/dbraw/zinc/37/38/85/556373885.db2.gz VPVUECPBQDGVFM-LPHOPBHVSA-N 0 0 427.566 4.610 50 0 IJAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000014138692 556375858 /nfs/dbraw/zinc/37/58/58/556375858.db2.gz CBYZBBIYZVRYNG-KRWDZBQOSA-N 0 0 428.113 4.723 50 0 IJAARN COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)ccc1OCc1ccccc1 ZINC000014183856 556383663 /nfs/dbraw/zinc/38/36/63/556383663.db2.gz ANCABZJGNZDESZ-UHFFFAOYSA-N 0 0 448.544 4.639 50 0 IJAARN CCn1c(=S)n(CN2CCC[C@H]2c2ccc(OC)cc2OC)nc1-c1cccs1 ZINC000014185901 556385470 /nfs/dbraw/zinc/38/54/70/556385470.db2.gz WEALUBHYMAPBQJ-KRWDZBQOSA-N 0 0 430.599 4.974 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(F)cc1Br ZINC000032817120 556393112 /nfs/dbraw/zinc/39/31/12/556393112.db2.gz MITTXNFROIIDTI-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CCn3cnc4sc(C)c(C)c4c3=O)n2)s1 ZINC000014236762 556399439 /nfs/dbraw/zinc/39/94/39/556399439.db2.gz MMUCJQGAPTXIIG-UHFFFAOYSA-N 0 0 430.580 4.597 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)C[C@@](O)(c3ccccc3)C(F)(F)F)cc2)cs1 ZINC000014241770 556402381 /nfs/dbraw/zinc/40/23/81/556402381.db2.gz QEEKXPUEXWREEL-OAQYLSRUSA-N 0 0 434.483 4.617 50 0 IJAARN Cc1nc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cs1 ZINC000014245541 556405246 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IJAARN Cc1sc2nc(C)nc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)c2c1C ZINC000032830024 556416772 /nfs/dbraw/zinc/41/67/72/556416772.db2.gz UKTKFPFHYNVJFM-UHFFFAOYSA-N 0 0 434.487 4.598 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000012943404 556417327 /nfs/dbraw/zinc/41/73/27/556417327.db2.gz XEJFXAGGUSLKLE-SXYIGIQMSA-N 0 0 445.401 4.903 50 0 IJAARN CC1CCN(Cc2csc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1 ZINC000014527501 556420017 /nfs/dbraw/zinc/42/00/17/556420017.db2.gz CEDFOYHKXQJERT-UHFFFAOYSA-N 0 0 430.574 4.974 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@H]1CCCc2ccccc21 ZINC000012975912 556421602 /nfs/dbraw/zinc/42/16/02/556421602.db2.gz FVNYDMCMQLRGTM-FQEVSTJZSA-N 0 0 439.577 4.745 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1F)CC2 ZINC000012978584 556423115 /nfs/dbraw/zinc/42/31/15/556423115.db2.gz CTBACGOYAGUMSP-SANMLTNESA-N 0 0 434.511 4.738 50 0 IJAARN O=C(NC1CCCC1)c1cc(NCc2ccccc2)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000014540135 556425237 /nfs/dbraw/zinc/42/52/37/556425237.db2.gz JYNMUHMIAABXLL-UHFFFAOYSA-N 0 0 449.576 4.772 50 0 IJAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992933 556428919 /nfs/dbraw/zinc/42/89/19/556428919.db2.gz GKOJTPOVIRBUCF-RYUDHWBXSA-N 0 0 426.355 4.775 50 0 IJAARN CSc1ccc(N2C[C@H](C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)CC2=O)cc1 ZINC000013004069 556434438 /nfs/dbraw/zinc/43/44/38/556434438.db2.gz PBUGWTRUKFODAC-GOSISDBHSA-N 0 0 434.565 4.511 50 0 IJAARN Cc1nnc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c32)CCC4)s1 ZINC000014714905 556435526 /nfs/dbraw/zinc/43/55/26/556435526.db2.gz JSPKIGGRFZTKLZ-UHFFFAOYSA-N 0 0 425.564 4.743 50 0 IJAARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000013018224 556438996 /nfs/dbraw/zinc/43/89/96/556438996.db2.gz ZNGVLYYUTQTQMN-UHFFFAOYSA-N 0 0 431.513 4.599 50 0 IJAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027991997 556440430 /nfs/dbraw/zinc/44/04/30/556440430.db2.gz IAIIWIGATAYTAT-XMMPIXPASA-N 0 0 435.527 4.817 50 0 IJAARN Cc1cccc(-n2c(COc3ccccc3)nnc2SCC(=O)NC2CCCC2)c1C ZINC000028047353 556442475 /nfs/dbraw/zinc/44/24/75/556442475.db2.gz ZMUUUDCDSBHNSN-UHFFFAOYSA-N 0 0 436.581 4.614 50 0 IJAARN Cc1ccccc1-n1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1 ZINC000028047365 556442579 /nfs/dbraw/zinc/44/25/79/556442579.db2.gz XJDWXURRHSJNSP-UHFFFAOYSA-N 0 0 444.560 4.563 50 0 IJAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000072272634 556445635 /nfs/dbraw/zinc/44/56/35/556445635.db2.gz PHDKLXGWICJSIX-AOYPEHQESA-N 0 0 430.523 4.665 50 0 IJAARN CCN(CC(=O)Nc1cccc(Cl)c1Cl)CC(=O)Nc1cc(Cl)ccc1C ZINC000013040227 556445989 /nfs/dbraw/zinc/44/59/89/556445989.db2.gz HIAXEYHVESJLKI-UHFFFAOYSA-N 0 0 428.747 4.854 50 0 IJAARN CCN(CC)[C@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1Cl ZINC000028289029 556448892 /nfs/dbraw/zinc/44/88/92/556448892.db2.gz VLZKSTRMQGXIIP-HXUWFJFHSA-N 0 0 426.944 4.876 50 0 IJAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)cc1 ZINC000028293056 556450669 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CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1 ZINC000028644756 556458095 /nfs/dbraw/zinc/45/80/95/556458095.db2.gz USBUVGVNOPWUDB-QFIPXVFZSA-N 0 0 426.626 4.585 50 0 IJAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000014949771 556460253 /nfs/dbraw/zinc/46/02/53/556460253.db2.gz BQPDUKADIWETBP-LJQANCHMSA-N 0 0 447.560 4.550 50 0 IJAARN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1=O ZINC000013102696 556461383 /nfs/dbraw/zinc/46/13/83/556461383.db2.gz VSOCSYIMHLNWBV-GFCCVEGCSA-N 0 0 426.822 4.667 50 0 IJAARN O=C([C@@H]1CCCN1C(=O)C1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000072281700 556463029 /nfs/dbraw/zinc/46/30/29/556463029.db2.gz ZZTYSNWUNRBIOW-FQEVSTJZSA-N 0 0 425.598 4.574 50 0 IJAARN CCN(CC(=O)Nc1ccccc1OC)c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000013110164 556464296 /nfs/dbraw/zinc/46/42/96/556464296.db2.gz CVRBHAPHHUZTQA-UHFFFAOYSA-N 0 0 436.512 4.971 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Sc3nnnn3-c3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000013112466 556464907 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C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)N1CCc2ccccc21 ZINC000013116221 556468621 /nfs/dbraw/zinc/46/86/21/556468621.db2.gz UBCKUWSZNMXCEY-KGLIPLIRSA-N 0 0 425.579 4.993 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)n1C[C@@H]1CCCO1 ZINC000013119668 556471704 /nfs/dbraw/zinc/47/17/04/556471704.db2.gz QQOIZEWSOMNTEY-IBGZPJMESA-N 0 0 447.560 4.605 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O ZINC000013120419 556472275 /nfs/dbraw/zinc/47/22/75/556472275.db2.gz OLLAUEFPLPLVOJ-QGZVFWFLSA-N 0 0 446.576 4.682 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029350769 556473008 /nfs/dbraw/zinc/47/30/08/556473008.db2.gz UEUJWGBTRBTNPT-QGZVFWFLSA-N 0 0 429.548 4.719 50 0 IJAARN O=c1c2c3c(sc2nc(S[C@@H]2CCCCCC2=O)n1C[C@H]1CCCO1)CCCC3 ZINC000029389254 556474388 /nfs/dbraw/zinc/47/43/88/556474388.db2.gz LAAKIZGLDITJQY-RDTXWAMCSA-N 0 0 432.611 4.510 50 0 IJAARN COc1cccc(CC(=O)NC[C@@H]2Cc3cc(C)cc(-c4cc(C(C)=O)ccc4F)c3O2)c1 ZINC000014990933 556475156 /nfs/dbraw/zinc/47/51/56/556475156.db2.gz BQOFUCPNUPSJPC-QFIPXVFZSA-N 0 0 447.506 4.675 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013127665 556476483 /nfs/dbraw/zinc/47/64/83/556476483.db2.gz MQDOLISMGQJILF-VXGBXAGGSA-N 0 0 443.550 4.771 50 0 IJAARN Cc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@@H]2CCCO2)o1 ZINC000014994688 556477212 /nfs/dbraw/zinc/47/72/12/556477212.db2.gz HZKONGFDVPGAOG-FQEVSTJZSA-N 0 0 426.586 4.591 50 0 IJAARN O=C(NCc1cccc(C(=O)Nc2ccncc2)c1)c1csc(-c2ccccc2F)n1 ZINC000072285496 556477312 /nfs/dbraw/zinc/47/73/12/556477312.db2.gz MIGUMXQVCJOXNX-UHFFFAOYSA-N 0 0 432.480 4.527 50 0 IJAARN O=C(CSc1nnnn1C1CCCCC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029526795 556477633 /nfs/dbraw/zinc/47/76/33/556477633.db2.gz NASJPSCLPUWSTO-IBGZPJMESA-N 0 0 445.639 4.568 50 0 IJAARN COC(=O)c1ccc(CNc2nc(C)c(-c3ccn(Cc4ccccc4F)n3)s2)cc1 ZINC000014997547 556478627 /nfs/dbraw/zinc/47/86/27/556478627.db2.gz BQVPYHZNAXYOTD-UHFFFAOYSA-N 0 0 436.512 4.901 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC000013134084 556482012 /nfs/dbraw/zinc/48/20/12/556482012.db2.gz GNRAIYVRPVZZKX-NSHDSACASA-N 0 0 436.306 4.608 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016173 556485530 /nfs/dbraw/zinc/48/55/30/556485530.db2.gz ZXLCPQOMZIDKGQ-NTKDMRAZSA-N 0 0 434.517 4.932 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)[nH]c(=O)c2c1C ZINC000029884907 556485619 /nfs/dbraw/zinc/48/56/19/556485619.db2.gz NWXZEAOFKIRIOY-SGIREYDYSA-N 0 0 445.610 4.598 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1C[C@H]1CCCO1 ZINC000013141838 556487093 /nfs/dbraw/zinc/48/70/93/556487093.db2.gz IYVIQSHNKVHIDD-LJQANCHMSA-N 0 0 445.515 4.948 50 0 IJAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)NCc1ccco1 ZINC000015018893 556487214 /nfs/dbraw/zinc/48/72/14/556487214.db2.gz SBODEXZPLOKECN-UHFFFAOYSA-N 0 0 430.489 4.682 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 ZINC000015018976 556487566 /nfs/dbraw/zinc/48/75/66/556487566.db2.gz JBUTVIICJUTXGN-UHFFFAOYSA-N 0 0 443.326 4.722 50 0 IJAARN O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000029986757 556488229 /nfs/dbraw/zinc/48/82/29/556488229.db2.gz IFYUSHYZUIKLTD-UHFFFAOYSA-N 0 0 435.531 4.837 50 0 IJAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000013150570 556492660 /nfs/dbraw/zinc/49/26/60/556492660.db2.gz FOWDIICDETYYPP-UHFFFAOYSA-N 0 0 444.409 4.533 50 0 IJAARN COc1ccc(F)c(-c2nc(CN3CCN(c4nc5ccccc5s4)CC3)c(C)o2)c1 ZINC000015072042 556496572 /nfs/dbraw/zinc/49/65/72/556496572.db2.gz XBDKARKHHYOPLF-UHFFFAOYSA-N 0 0 438.528 4.730 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000013165055 556497968 /nfs/dbraw/zinc/49/79/68/556497968.db2.gz ZVYJHKPVIYMIDV-GFCCVEGCSA-N 0 0 446.326 4.821 50 0 IJAARN CCCn1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c(C)n1 ZINC000015073943 556498075 /nfs/dbraw/zinc/49/80/75/556498075.db2.gz LJZTWGUFBHESBC-QHCPKHFHSA-N 0 0 433.556 4.782 50 0 IJAARN COc1cccc(NC(=O)CCC2CCN(C(=O)Nc3ccc(OC)cc3C)CC2)c1 ZINC000015074002 556498138 /nfs/dbraw/zinc/49/81/38/556498138.db2.gz PULBWDGPQVDBBK-UHFFFAOYSA-N 0 0 425.529 4.675 50 0 IJAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000015074663 556498421 /nfs/dbraw/zinc/49/84/21/556498421.db2.gz HXTBINFYDJTDKP-UHFFFAOYSA-N 0 0 442.922 4.774 50 0 IJAARN COC(=O)[C@](C)(c1ccc(Br)cc1)N(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000072292710 556502038 /nfs/dbraw/zinc/50/20/38/556502038.db2.gz ZICMUJJMFWYVNG-SFHVURJKSA-N 0 0 444.247 4.628 50 0 IJAARN CC(=O)N[C@H](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000032879140 556502962 /nfs/dbraw/zinc/50/29/62/556502962.db2.gz XNAGFGIJHNSGIW-NZQKXSOJSA-N 0 0 431.561 4.745 50 0 IJAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000015105861 556503817 /nfs/dbraw/zinc/50/38/17/556503817.db2.gz NCOHIRHLIXJATL-VWLOTQADSA-N 0 0 437.478 4.880 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032716875 556506185 /nfs/dbraw/zinc/50/61/85/556506185.db2.gz WQDZGJCBBCTDJL-UHFFFAOYSA-N 0 0 425.868 4.651 50 0 IJAARN O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)Nc1cc(F)cc(F)c1 ZINC000032882281 556509057 /nfs/dbraw/zinc/50/90/57/556509057.db2.gz SITCPGYWMJEVNE-UHFFFAOYSA-N 0 0 449.529 4.863 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)nc1)c1ccccc1CSc1nc2ccccc2o1 ZINC000032883638 556509654 /nfs/dbraw/zinc/50/96/54/556509654.db2.gz PKPBHOCHAXNJQQ-UHFFFAOYSA-N 0 0 446.532 4.604 50 0 IJAARN COc1ccc(Nc2nc3c(nnn3-c3ccc(OC)c(Cl)c3)c(C)n2)cc1Cl ZINC000013532908 556512581 /nfs/dbraw/zinc/51/25/81/556512581.db2.gz GCVRZTSDDOHKLU-UHFFFAOYSA-N 0 0 431.283 4.587 50 0 IJAARN CCCCCN(C(=O)NC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000004428065 556513598 /nfs/dbraw/zinc/51/35/98/556513598.db2.gz UOUKYLWEQWAZLR-UHFFFAOYSA-N 0 0 431.558 4.734 50 0 IJAARN CCc1ccccc1NC(=O)C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000030902143 556515061 /nfs/dbraw/zinc/51/50/61/556515061.db2.gz YMQLVYCVZLUATF-DEOSSOPVSA-N 0 0 438.531 4.758 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000015313538 556518664 /nfs/dbraw/zinc/51/86/64/556518664.db2.gz BVTLXEGLDQCDMD-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc(OC)c(F)c2)[C@H]1c1ccc(OC)cc1 ZINC000032719125 556521875 /nfs/dbraw/zinc/52/18/75/556521875.db2.gz ZPFVEQPVEBPTBC-HYBUGGRVSA-N 0 0 443.515 4.666 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCCO1)occ3-c1ccc(F)cc1 ZINC000013573644 556523999 /nfs/dbraw/zinc/52/39/99/556523999.db2.gz PEEYTHZMWYYIOR-SFHVURJKSA-N 0 0 449.478 4.882 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H](O)c1ccccc1)occ3C(C)(C)C ZINC000013574889 556525067 /nfs/dbraw/zinc/52/50/67/556525067.db2.gz YPWVVBAZBLAFGC-JOCHJYFZSA-N 0 0 447.531 4.928 50 0 IJAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015413051 556525704 /nfs/dbraw/zinc/52/57/04/556525704.db2.gz VHELYVGPMALRQI-VWLOTQADSA-N 0 0 430.504 4.523 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000032899290 556530452 /nfs/dbraw/zinc/53/04/52/556530452.db2.gz NYLZSEWPOSFGSG-UHFFFAOYSA-N 0 0 426.501 4.580 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(OC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)c1 ZINC000015598669 556536718 /nfs/dbraw/zinc/53/67/18/556536718.db2.gz ZTXSCRBOXVHAQV-UHFFFAOYSA-N 0 0 432.501 4.901 50 0 IJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000015643722 556540008 /nfs/dbraw/zinc/54/00/08/556540008.db2.gz HCYQBIOEHOPZMW-UHFFFAOYSA-N 0 0 439.492 4.983 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000032902800 556540862 /nfs/dbraw/zinc/54/08/62/556540862.db2.gz LYWLOTYFVVDDFM-UHFFFAOYSA-N 0 0 435.593 4.584 50 0 IJAARN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)n1nnc2ccccc21 ZINC000032602753 556542616 /nfs/dbraw/zinc/54/26/16/556542616.db2.gz BXOWZCNNYZYNLS-DEOSSOPVSA-N 0 0 440.503 4.635 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)NCCCSC1CCCCC1 ZINC000004436891 556546675 /nfs/dbraw/zinc/54/66/75/556546675.db2.gz GXZOPNFPXQZSTG-SSEXGKCCSA-N 0 0 448.654 4.779 50 0 IJAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)cc1 ZINC000015778915 556551198 /nfs/dbraw/zinc/55/11/98/556551198.db2.gz WZHCWRLPRXVIDQ-UHFFFAOYSA-N 0 0 431.359 4.611 50 0 IJAARN O=C(CSc1nnc(N2CCCC2)n1C1CC1)N1c2ccccc2CCc2ccccc21 ZINC000032906029 556551865 /nfs/dbraw/zinc/55/18/65/556551865.db2.gz NRCXIILSJUCEFA-UHFFFAOYSA-N 0 0 445.592 4.769 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000015821660 556553633 /nfs/dbraw/zinc/55/36/33/556553633.db2.gz RCDICVABSPRYFB-PXLXIMEGSA-N 0 0 436.895 4.767 50 0 IJAARN CCOc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000033266337 556557640 /nfs/dbraw/zinc/55/76/40/556557640.db2.gz MUUIFWBKICGHRW-UHFFFAOYSA-N 0 0 433.943 4.775 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c(C)c1 ZINC000015869605 556560277 /nfs/dbraw/zinc/56/02/77/556560277.db2.gz BNKPZZYJTBTLPF-UHFFFAOYSA-N 0 0 440.609 4.893 50 0 IJAARN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1csc(-c2cc(Br)cs2)n1 ZINC000072307216 556561755 /nfs/dbraw/zinc/56/17/55/556561755.db2.gz FQUZQZFXSVWAND-GXTWGEPZSA-N 0 0 437.388 4.744 50 0 IJAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)cc1 ZINC000015922066 556564239 /nfs/dbraw/zinc/56/42/39/556564239.db2.gz BEYHYVLAPLVQKC-HXUWFJFHSA-N 0 0 432.568 4.511 50 0 IJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OC(=O)c1ccccc1 ZINC000015945244 556566606 /nfs/dbraw/zinc/56/66/06/556566606.db2.gz UOAPLSIBJCUZMP-FPTDNZKUSA-N 0 0 448.544 4.955 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc(CC3=NCCc4cc(OC)c(OC)cc43)cc2)c1 ZINC000033892589 556568993 /nfs/dbraw/zinc/56/89/93/556568993.db2.gz PMGGNRAIAPYQHZ-UHFFFAOYSA-N 0 0 445.519 4.944 50 0 IJAARN Cc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)no1 ZINC000002261982 556574875 /nfs/dbraw/zinc/57/48/75/556574875.db2.gz RKURDFRODCNZDK-JSGCOSHPSA-N 0 0 425.798 4.746 50 0 IJAARN Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(N)=O)cc2)c2nc3ccccc3s2)c1 ZINC000032910427 556575651 /nfs/dbraw/zinc/57/56/51/556575651.db2.gz YDFNEDMQHAYXHW-UHFFFAOYSA-N 0 0 430.533 4.789 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016184127 556587526 /nfs/dbraw/zinc/58/75/26/556587526.db2.gz DUVQYNWHTJRUBM-QGZVFWFLSA-N 0 0 434.492 4.752 50 0 IJAARN Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(I)c3)n(C)c2)cs1 ZINC000016205372 556590715 /nfs/dbraw/zinc/59/07/15/556590715.db2.gz AOZBQZOLPYNVAI-UHFFFAOYSA-N 0 0 437.306 4.622 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000016212801 556590967 /nfs/dbraw/zinc/59/09/67/556590967.db2.gz PDKKHHQPHPDPAV-NRFANRHFSA-N 0 0 444.597 4.583 50 0 IJAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036106559 556593167 /nfs/dbraw/zinc/59/31/67/556593167.db2.gz CEDWVTFKGRAKNU-UHFFFAOYSA-N 0 0 440.565 4.718 50 0 IJAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1F ZINC000036106548 556593190 /nfs/dbraw/zinc/59/31/90/556593190.db2.gz QDMFDMHBXGPTLC-UHFFFAOYSA-N 0 0 428.529 4.849 50 0 IJAARN COc1cccc(OC)c1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016228107 556593338 /nfs/dbraw/zinc/59/33/38/556593338.db2.gz KZEPJBYWEPFMNR-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000036235574 556595095 /nfs/dbraw/zinc/59/50/95/556595095.db2.gz UXVVYQCVXWKLEY-UHFFFAOYSA-N 0 0 440.507 4.671 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000016263145 556595101 /nfs/dbraw/zinc/59/51/01/556595101.db2.gz BBNUNEDMAMSWAC-GOSISDBHSA-N 0 0 428.970 4.707 50 0 IJAARN O=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H]1CCCO1 ZINC000036249467 556595564 /nfs/dbraw/zinc/59/55/64/556595564.db2.gz BKOXGMJSFBBPCU-FQEVSTJZSA-N 0 0 435.524 4.746 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)N(C)Cc2ccco2)c1 ZINC000032975004 556596719 /nfs/dbraw/zinc/59/67/19/556596719.db2.gz LTPDPYKRBQFEFB-UHFFFAOYSA-N 0 0 445.519 4.741 50 0 IJAARN Nn1c(=O)c2sc(-c3ccc(Cl)cc3)cc2nc1SCC(=O)c1ccc(F)cc1 ZINC000036646162 556599597 /nfs/dbraw/zinc/59/95/97/556599597.db2.gz YRXDVKGFIJXZRZ-UHFFFAOYSA-N 0 0 445.928 4.606 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Br)cc2)cc1 ZINC000016310547 556599627 /nfs/dbraw/zinc/59/96/27/556599627.db2.gz ILUJZUTYYMUOQV-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000016347788 556601844 /nfs/dbraw/zinc/60/18/44/556601844.db2.gz YLENFKPZRSHDFE-UHFFFAOYSA-N 0 0 448.588 4.891 50 0 IJAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983912 556602657 /nfs/dbraw/zinc/60/26/57/556602657.db2.gz OJZOKHYYUSXGJJ-ZHZULCJRSA-N 0 0 430.957 4.975 50 0 IJAARN CCCOc1c(Cl)cc([C@@H]2NC(=S)N=C(CCC)C2C(=O)OCC)cc1OCC ZINC000016382401 556603863 /nfs/dbraw/zinc/60/38/63/556603863.db2.gz LBKWPPFAWNXQAL-SFHVURJKSA-N 0 0 440.993 4.664 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)cc1C ZINC000016392142 556604569 /nfs/dbraw/zinc/60/45/69/556604569.db2.gz MYXGZPZLKOEZMN-UHFFFAOYSA-N 0 0 425.326 4.754 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037623617 556605203 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O=C(NCc1ccc(F)cc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009491 556657643 /nfs/dbraw/zinc/65/76/43/556657643.db2.gz LSWCAQRJHJEXOS-UHFFFAOYSA-N 0 0 432.499 5.000 50 0 IJAARN COc1ccc2c(ccn2CCC(=O)N[C@H](CCSC)c2nc3ccccc3n2C)c1 ZINC000248035220 556657945 /nfs/dbraw/zinc/65/79/45/556657945.db2.gz MKZYXZSVUWGMKY-HXUWFJFHSA-N 0 0 436.581 4.537 50 0 IJAARN COc1ccc(OC)c(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)c1 ZINC000017094650 556657968 /nfs/dbraw/zinc/65/79/68/556657968.db2.gz LDMIVUJGPGRIJB-UHFFFAOYSA-N 0 0 425.938 4.799 50 0 IJAARN CC[C@H](c1nnc(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)n1Cc1ccccc1)N(C)C ZINC000248079768 556661064 /nfs/dbraw/zinc/66/10/64/556661064.db2.gz CMJQKJBYBWXGRB-ANTGDGSKSA-N 0 0 443.661 4.609 50 0 IJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000033012668 556661554 /nfs/dbraw/zinc/66/15/54/556661554.db2.gz NJPZKLWQVKXSJK-IBGZPJMESA-N 0 0 438.487 4.704 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(F)cc3Cl)n2C)c1C ZINC000017099254 556664511 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Cc1ccccc1CSc1nnc(CN(C)Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000055358678 556740384 /nfs/dbraw/zinc/74/03/84/556740384.db2.gz RLDYWRLICHMDBM-JOCHJYFZSA-N 0 0 440.588 4.829 50 0 IJAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)COc4ccccc4)ccc32)C1 ZINC000055551703 556742207 /nfs/dbraw/zinc/74/22/07/556742207.db2.gz FSNOBVVHWRVNFJ-IBGZPJMESA-N 0 0 426.520 4.631 50 0 IJAARN CCc1nc(CN2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cs1 ZINC000057991921 556750977 /nfs/dbraw/zinc/75/09/77/556750977.db2.gz MQQOAYNYIUWUCL-LJQANCHMSA-N 0 0 434.609 4.517 50 0 IJAARN CCOc1cc(CNc2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409110945 556761486 /nfs/dbraw/zinc/76/14/86/556761486.db2.gz ZUBRSUGFJZPXQH-UHFFFAOYSA-N 0 0 427.522 4.782 50 0 IJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3OC)CO2)cc1 ZINC000061997637 556763670 /nfs/dbraw/zinc/76/36/70/556763670.db2.gz RBVDZTWBFHDXCZ-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 biogenic IJAARN O=C(NCc1cn2cc(Cl)ccc2n1)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000058159740 556764079 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O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sc2cc(F)ccc2c1Cl ZINC000003355746 556811417 /nfs/dbraw/zinc/81/14/17/556811417.db2.gz DQNZXDTUFPSSNW-UHFFFAOYSA-N 0 0 438.933 4.731 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000003366594 556812027 /nfs/dbraw/zinc/81/20/27/556812027.db2.gz FYNLNGZVXSJWDG-UHFFFAOYSA-N 0 0 445.894 4.505 50 0 IJAARN O=C(CNC(=O)COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000003423052 556814952 /nfs/dbraw/zinc/81/49/52/556814952.db2.gz ZYZNPUQDWVYIGZ-UHFFFAOYSA-N 0 0 429.303 4.794 50 0 IJAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1Cl ZINC000033064091 556819019 /nfs/dbraw/zinc/81/90/19/556819019.db2.gz YLENUOQALQKEQN-UHFFFAOYSA-N 0 0 446.956 4.687 50 0 IJAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)n1C ZINC000033067708 556819576 /nfs/dbraw/zinc/81/95/76/556819576.db2.gz NHKVXWFFMJOEOP-UHFFFAOYSA-N 0 0 440.956 4.744 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc(F)cc4)ccc3C)nc2c1 ZINC000033068110 556820632 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556895267 /nfs/dbraw/zinc/89/52/67/556895267.db2.gz HXRFYUJPFHBNLJ-UHFFFAOYSA-N 0 0 448.498 4.784 50 0 IJAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)cc2)no1 ZINC000033258194 556895928 /nfs/dbraw/zinc/89/59/28/556895928.db2.gz NBLRATTVOFEQOM-UHFFFAOYSA-N 0 0 425.920 4.615 50 0 IJAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1Cl ZINC000033258438 556896146 /nfs/dbraw/zinc/89/61/46/556896146.db2.gz UQTXDODISHCYHQ-UHFFFAOYSA-N 0 0 438.915 4.725 50 0 IJAARN COc1ccc(CCN2C(=O)O[C@](C)(CC(C)(C)c3ccccc3)[C@@]2(C)O)cc1OC ZINC000004727310 556901511 /nfs/dbraw/zinc/90/15/11/556901511.db2.gz SVSSBZAQWDRMDK-JWQCQUIFSA-N 0 0 427.541 4.534 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccncc2)cc1 ZINC000019823265 556924963 /nfs/dbraw/zinc/92/49/63/556924963.db2.gz HLAGUUGWPWTJBT-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019831900 556927028 /nfs/dbraw/zinc/92/70/28/556927028.db2.gz ZALXRZUORITSNY-UHFFFAOYSA-N 0 0 449.392 4.925 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3cccs3)cs2)o1 ZINC000019849414 556930391 /nfs/dbraw/zinc/93/03/91/556930391.db2.gz PXYYRVZDEIRRDA-UHFFFAOYSA-N 0 0 430.536 4.661 50 0 IJAARN O=C(Cn1c(=O)sc2ccccc21)O[C@H](OCc1ccccc1)C(Cl)(Cl)Cl ZINC000019893092 556939856 /nfs/dbraw/zinc/93/98/56/556939856.db2.gz KACRWFPRXCLQQP-INIZCTEOSA-N 0 0 446.739 4.519 50 0 IJAARN Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000019921524 556943946 /nfs/dbraw/zinc/94/39/46/556943946.db2.gz SFNBSQWHFMXOOS-JHUUHBRDSA-N 0 0 438.575 4.566 50 0 IJAARN COc1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccc(F)c(Cl)c4)ccc23)cc1 ZINC000019962646 556955871 /nfs/dbraw/zinc/95/58/71/556955871.db2.gz GMPVYEMSOYXSTD-UHFFFAOYSA-N 0 0 434.858 4.810 50 0 IJAARN CCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072453220 556973744 /nfs/dbraw/zinc/97/37/44/556973744.db2.gz FSIJMGSGQIQLEP-QGZVFWFLSA-N 0 0 428.414 4.653 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4Cl)ccc3[nH]2)cc1 ZINC000033264759 556974528 /nfs/dbraw/zinc/97/45/28/556974528.db2.gz KGWFRIRICBOODZ-UHFFFAOYSA-N 0 0 446.938 4.890 50 0 IJAARN C[C@@H](NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1 ZINC000033266622 556977712 /nfs/dbraw/zinc/97/77/12/556977712.db2.gz KZOWLKNUCWJMKS-GOSISDBHSA-N 0 0 443.526 4.629 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095518 556979502 /nfs/dbraw/zinc/97/95/02/556979502.db2.gz YQVOXNUSCGAFAG-XMMPIXPASA-N 0 0 443.547 4.890 50 0 IJAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000020096576 556979787 /nfs/dbraw/zinc/97/97/87/556979787.db2.gz SLHVKXIHXZPHJN-UHFFFAOYSA-N 0 0 439.987 4.849 50 0 IJAARN COc1cc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc(OC)c1OC ZINC000020101560 556980305 /nfs/dbraw/zinc/98/03/05/556980305.db2.gz FGXSOSCWYBTVFD-AWEZNQCLSA-N 0 0 437.471 4.606 50 0 IJAARN O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000020103592 556981366 /nfs/dbraw/zinc/98/13/66/556981366.db2.gz ZJXYRKMRZLPDIC-DEOSSOPVSA-N 0 0 447.498 4.701 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103580 556981386 /nfs/dbraw/zinc/98/13/86/556981386.db2.gz ANCPGPCJYJERCD-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3Cl)o2)N2CCN(c3ccccn3)CC2)cc1 ZINC000033268285 556983760 /nfs/dbraw/zinc/98/37/60/556983760.db2.gz HUEKIQIGQJGRCR-QFIPXVFZSA-N 0 0 449.917 4.836 50 0 IJAARN O=C(c1cc(-c2ccc(O)cc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137448 556988686 /nfs/dbraw/zinc/98/86/86/556988686.db2.gz JVVCUYPJXYLHNK-UHFFFAOYSA-N 0 0 439.515 4.595 50 0 IJAARN CC(C)(c1noc(CCC2CCCC2)n1)S(=O)(=O)c1ccc(Br)cc1 ZINC000097141555 556992801 /nfs/dbraw/zinc/99/28/01/556992801.db2.gz RPQHXSWDDCODPS-UHFFFAOYSA-N 0 0 427.364 4.664 50 0 IJAARN CSc1nc2n(n1)[C@H](c1ccccc1F)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000020181693 556995964 /nfs/dbraw/zinc/99/59/64/556995964.db2.gz AKVVUAKWQBHJOH-QGZVFWFLSA-N 0 0 429.908 4.720 50 0 IJAARN COc1ccc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1OC ZINC000020258889 557004103 /nfs/dbraw/zinc/00/41/03/557004103.db2.gz YSMSTYKWWHUALQ-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c(Br)c1 ZINC000011252555 557009695 /nfs/dbraw/zinc/00/96/95/557009695.db2.gz OWWBPCYZHUAFGH-UHFFFAOYSA-N 0 0 437.721 4.555 50 0 IJAARN COc1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)ccc1N1CCCC1=O ZINC000011258656 557009746 /nfs/dbraw/zinc/00/97/46/557009746.db2.gz WTKJCRNZHNOZBN-UHFFFAOYSA-N 0 0 443.862 4.830 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCc2ccccc2OC)c1C ZINC000020356136 557010307 /nfs/dbraw/zinc/01/03/07/557010307.db2.gz GKEYEOMZOMLXLK-UHFFFAOYSA-N 0 0 434.536 4.664 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)Nc1ccc(Cl)cc1 ZINC000045994486 557014652 /nfs/dbraw/zinc/01/46/52/557014652.db2.gz ZFZFEPUYLREIIU-UHFFFAOYSA-N 0 0 431.879 4.628 50 0 IJAARN CCc1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 ZINC000045994557 557014827 /nfs/dbraw/zinc/01/48/27/557014827.db2.gz ONUQEHKWJZQLOG-UHFFFAOYSA-N 0 0 425.488 4.537 50 0 IJAARN Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000020418877 557015200 /nfs/dbraw/zinc/01/52/00/557015200.db2.gz WYPOFORITGYJBM-UHFFFAOYSA-N 0 0 437.590 4.945 50 0 IJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000020432120 557016630 /nfs/dbraw/zinc/01/66/30/557016630.db2.gz PXGXYYDXQDUXFU-RUZDIDTESA-N 0 0 432.520 4.715 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045991874 557017282 /nfs/dbraw/zinc/01/72/82/557017282.db2.gz JXOJZHGHPODMHB-QGZVFWFLSA-N 0 0 428.492 4.552 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c(OC)c1 ZINC000046012034 557018503 /nfs/dbraw/zinc/01/85/03/557018503.db2.gz JNFXRXAWJAWEKD-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN Cc1c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)sc2ncn(C)c(=O)c12 ZINC000072005268 557018547 /nfs/dbraw/zinc/01/85/47/557018547.db2.gz URUFLUFTWXVEIM-UHFFFAOYSA-N 0 0 439.924 4.788 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C)c2c(C)nn(-c3ccccc3)c2n1 ZINC000046016804 557019879 /nfs/dbraw/zinc/01/98/79/557019879.db2.gz LARDUVZHRZBOGE-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1 ZINC000046016979 557020082 /nfs/dbraw/zinc/02/00/82/557020082.db2.gz QBZRNHVFHPLCFJ-FQEVSTJZSA-N 0 0 449.576 4.644 50 0 IJAARN CCc1cc(OCC(=O)NCc2ccc(Cl)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017143 557020394 /nfs/dbraw/zinc/02/03/94/557020394.db2.gz QCAVMIQONUIWMM-UHFFFAOYSA-N 0 0 448.954 4.948 50 0 IJAARN CC(C)c1nc2ccc(NCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2s1 ZINC000072041615 557023310 /nfs/dbraw/zinc/02/33/10/557023310.db2.gz UVJCZQJVQAQBPO-UHFFFAOYSA-N 0 0 426.933 4.704 50 0 IJAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000023143392 557025277 /nfs/dbraw/zinc/02/52/77/557025277.db2.gz WFOIPUQFMGVXAD-UHFFFAOYSA-N 0 0 434.393 4.750 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc5ccccc5n4)cc3c2=O)cc1 ZINC000023143849 557025541 /nfs/dbraw/zinc/02/55/41/557025541.db2.gz CQTDKPRTWFIIQP-UHFFFAOYSA-N 0 0 436.471 4.503 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)CCSc4ccccc4)cc3c2=O)cc1 ZINC000023143846 557025597 /nfs/dbraw/zinc/02/55/97/557025597.db2.gz WPJKEODXPHANSR-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)c1ccccc1 ZINC000010778812 557026318 /nfs/dbraw/zinc/02/63/18/557026318.db2.gz GNQWWAHDPOOJCI-UHFFFAOYSA-N 0 0 435.527 4.936 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056995 557028842 /nfs/dbraw/zinc/02/88/42/557028842.db2.gz JVAVAZLCFTYNME-SFHVURJKSA-N 0 0 438.325 4.869 50 0 IJAARN CCN(c1ccc2sc(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1)S(C)(=O)=O ZINC000046058212 557029083 /nfs/dbraw/zinc/02/90/83/557029083.db2.gz MHOXJWDPZRQOSS-UHFFFAOYSA-N 0 0 426.922 4.732 50 0 IJAARN COCCn1c(=O)c2cc(Br)ccc2nc1SCc1ccccc1Cl ZINC000010811496 557029564 /nfs/dbraw/zinc/02/95/64/557029564.db2.gz DABGQEFPEGYZEZ-UHFFFAOYSA-N 0 0 439.762 4.751 50 0 IJAARN O=C(Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(C(F)(F)F)c1)c1ccco1 ZINC000022182377 557030978 /nfs/dbraw/zinc/03/09/78/557030978.db2.gz UDXWCKUAMWFUAF-CQSZACIVSA-N 0 0 443.381 4.615 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3ccc(Cl)cc3)ccc1O2 ZINC000046077445 557033042 /nfs/dbraw/zinc/03/30/42/557033042.db2.gz RMZRRMAMWYMIMH-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c(OC)c1 ZINC000046078705 557033552 /nfs/dbraw/zinc/03/35/52/557033552.db2.gz AKNTWGRAUXCFTC-UHFFFAOYSA-N 0 0 430.504 4.858 50 0 IJAARN COc1cc(NC(=O)Cc2cccs2)c(C(=O)OCc2ccc(C)cc2)cc1OC ZINC000010840733 557034228 /nfs/dbraw/zinc/03/42/28/557034228.db2.gz QOXAYLRUUKAETH-UHFFFAOYSA-N 0 0 425.506 4.612 50 0 IJAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)c1 ZINC000046079533 557034705 /nfs/dbraw/zinc/03/47/05/557034705.db2.gz XTVJMUDSBLDRJO-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000017178219 557037783 /nfs/dbraw/zinc/03/77/83/557037783.db2.gz FEPZFBCARDWEQH-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000017178269 557037867 /nfs/dbraw/zinc/03/78/67/557037867.db2.gz DTEKWNPQCQPPBX-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3SC3CCCC3)CC2)c(C)o1 ZINC000048234840 557046437 /nfs/dbraw/zinc/04/64/37/557046437.db2.gz XDXZZIYHYRKDFV-UHFFFAOYSA-N 0 0 427.570 4.921 50 0 IJAARN CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OC)cc1 ZINC000017268658 557048056 /nfs/dbraw/zinc/04/80/56/557048056.db2.gz QVDAZRLRIJXUFS-HXUWFJFHSA-N 0 0 436.537 4.858 50 0 IJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 ZINC000033271560 557049500 /nfs/dbraw/zinc/04/95/00/557049500.db2.gz BUQKSPCMPJFDPD-INIZCTEOSA-N 0 0 434.521 4.672 50 0 IJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305737 557051989 /nfs/dbraw/zinc/05/19/89/557051989.db2.gz MNMHRRHTYKXWMA-ZDUSSCGKSA-N 0 0 437.853 4.571 50 0 IJAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000023043423 557059532 /nfs/dbraw/zinc/05/95/32/557059532.db2.gz HFBDAUJSAMBHOI-FQEVSTJZSA-N 0 0 447.491 4.523 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3nc4c(s3)CCCCC4)[nH]c(=O)c2c1C ZINC000048310620 557060628 /nfs/dbraw/zinc/06/06/28/557060628.db2.gz PWQMKFCAJKGHCZ-GFCCVEGCSA-N 0 0 448.639 4.587 50 0 IJAARN COc1ccc(NC(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(OC)c1 ZINC000032948831 557062100 /nfs/dbraw/zinc/06/21/00/557062100.db2.gz IPZNDJUYCVXCQP-UHFFFAOYSA-N 0 0 426.463 4.958 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)cc1OCC ZINC000048302041 557063007 /nfs/dbraw/zinc/06/30/07/557063007.db2.gz SWBQVBUWASXKHG-YWZLYKJASA-N 0 0 425.447 4.981 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)cc1OCC ZINC000048302039 557063059 /nfs/dbraw/zinc/06/30/59/557063059.db2.gz SWBQVBUWASXKHG-QRWLVFNGSA-N 0 0 425.447 4.981 50 0 IJAARN Cc1ccc(-c2ccc3c(n2)sc2c3ncn(CC(=O)Nc3ccccc3)c2=O)cc1C ZINC000033283979 557063480 /nfs/dbraw/zinc/06/34/80/557063480.db2.gz CBDUPGYWWLUJMW-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(F)ccc1C ZINC000023119143 557064842 /nfs/dbraw/zinc/06/48/42/557064842.db2.gz BEEAPKWVAORPDZ-UHFFFAOYSA-N 0 0 436.512 4.590 50 0 IJAARN CCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1 ZINC000033288218 557065225 /nfs/dbraw/zinc/06/52/25/557065225.db2.gz IJPKHMASUDXOLA-UHFFFAOYSA-N 0 0 432.524 4.831 50 0 IJAARN CC(C)CNC(=O)COc1ccc(-c2csc3ccccc32)cc1CN1CCOCC1 ZINC000023128649 557065779 /nfs/dbraw/zinc/06/57/79/557065779.db2.gz FIXYHYMYDSOVTO-UHFFFAOYSA-N 0 0 438.593 4.552 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)c1 ZINC000033289871 557071562 /nfs/dbraw/zinc/07/15/62/557071562.db2.gz XNEJZQKORJXGQN-FBRRREGBSA-N 0 0 430.508 4.505 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000033296737 557072582 /nfs/dbraw/zinc/07/25/82/557072582.db2.gz YCVKLHJRPFMYHE-UHFFFAOYSA-N 0 0 446.507 4.529 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccccc2CC)cc1 ZINC000033297879 557073601 /nfs/dbraw/zinc/07/36/01/557073601.db2.gz VFVYIQPIAKOXGZ-QINSGFPZSA-N 0 0 439.537 4.865 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000033297947 557073892 /nfs/dbraw/zinc/07/38/92/557073892.db2.gz PKLORHGZBQANBQ-WDZFZDKYSA-N 0 0 447.463 4.581 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000033298686 557074667 /nfs/dbraw/zinc/07/46/67/557074667.db2.gz YXZUMZNUMBAYGX-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000085817297 557077452 /nfs/dbraw/zinc/07/74/52/557077452.db2.gz RJPQMVZCEOACKV-INIZCTEOSA-N 0 0 427.386 4.609 50 0 IJAARN NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000023244068 557077696 /nfs/dbraw/zinc/07/76/96/557077696.db2.gz GCWXEAUWIPHBBM-UHFFFAOYSA-N 0 0 430.895 4.603 50 0 IJAARN O=C(COC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1c[nH]c2ccccc21 ZINC000011307420 557082118 /nfs/dbraw/zinc/08/21/18/557082118.db2.gz QRDRNHXYLOQWPB-UHFFFAOYSA-N 0 0 428.473 4.517 50 0 IJAARN CC(C)Cn1c(SCCOc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000048989010 557083062 /nfs/dbraw/zinc/08/30/62/557083062.db2.gz WZTJGKAIJWPGBT-UHFFFAOYSA-N 0 0 429.542 4.972 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccnc(Cl)c4)cc3)o2)cc1 ZINC000033308313 557088565 /nfs/dbraw/zinc/08/85/65/557088565.db2.gz KSNDDWPSQFTQJS-UHFFFAOYSA-N 0 0 436.855 4.625 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccc(F)cc4)o3)cc2)c1OC ZINC000033308277 557088578 /nfs/dbraw/zinc/08/85/78/557088578.db2.gz NQXKCKHZGZZIHP-UHFFFAOYSA-N 0 0 449.438 4.724 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)c1 ZINC000033308665 557089553 /nfs/dbraw/zinc/08/95/53/557089553.db2.gz UZHWRRBYICNILY-FQEVSTJZSA-N 0 0 427.504 4.547 50 0 IJAARN O=C(C[C@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000023382360 557089608 /nfs/dbraw/zinc/08/96/08/557089608.db2.gz FZIQIUDFNKGGRM-IBGZPJMESA-N 0 0 442.441 4.914 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1 ZINC000049002597 557090422 /nfs/dbraw/zinc/09/04/22/557090422.db2.gz XELVUKJOCICQQP-UHFFFAOYSA-N 0 0 442.519 4.855 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Br)cc2F)n1 ZINC000049004557 557092928 /nfs/dbraw/zinc/09/29/28/557092928.db2.gz OMNJEZXNVQOCRL-UHFFFAOYSA-N 0 0 429.293 4.819 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004691 557092950 /nfs/dbraw/zinc/09/29/50/557092950.db2.gz OTZRNLDURQJTCR-UHFFFAOYSA-N 0 0 432.524 4.875 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN2C(=O)c2ccccc2C(F)(F)F)cc1)N1CCCC1 ZINC000033310509 557094246 /nfs/dbraw/zinc/09/42/46/557094246.db2.gz UJEFXXFSWZDKJD-GOSISDBHSA-N 0 0 446.469 4.625 50 0 IJAARN Cc1ccc(-c2ccc3nnc(CCC(=O)NCc4ccc(C(C)C)cc4)n3n2)cc1C ZINC000049399524 557095177 /nfs/dbraw/zinc/09/51/77/557095177.db2.gz PCMBEVYIJCFELA-UHFFFAOYSA-N 0 0 427.552 4.781 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)ncn2)cc1 ZINC000033311978 557096039 /nfs/dbraw/zinc/09/60/39/557096039.db2.gz VXDTWBBVVBJXAE-UHFFFAOYSA-N 0 0 430.552 4.673 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccccc4F)CC3)ncn2)cc1 ZINC000049401917 557097367 /nfs/dbraw/zinc/09/73/67/557097367.db2.gz KGXKPLKRVKSWSQ-UHFFFAOYSA-N 0 0 434.515 4.503 50 0 IJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000049403298 557098831 /nfs/dbraw/zinc/09/88/31/557098831.db2.gz FFNUNBXYXXXLIT-UHFFFAOYSA-N 0 0 444.457 4.882 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2)c1=O ZINC000033317916 557099718 /nfs/dbraw/zinc/09/97/18/557099718.db2.gz SIGVFZNMODGTCZ-KRWDZBQOSA-N 0 0 440.503 4.612 50 0 IJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000017640314 557101718 /nfs/dbraw/zinc/10/17/18/557101718.db2.gz LLQFBMGHMHSNFA-UHFFFAOYSA-N 0 0 441.984 4.955 50 0 IJAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)COc1ccccc1C ZINC000033320586 557103570 /nfs/dbraw/zinc/10/35/70/557103570.db2.gz GSFUWHCPMKCCTE-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2c(C)noc2C)Cc2ccccc2Cl)cc1 ZINC000023658750 557104392 /nfs/dbraw/zinc/10/43/92/557104392.db2.gz QKLNTPHPSHCWTG-UHFFFAOYSA-N 0 0 434.945 4.735 50 0 IJAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c1 ZINC000049421829 557108601 /nfs/dbraw/zinc/10/86/01/557108601.db2.gz DBTDEQVNPOKNLT-UHFFFAOYSA-N 0 0 432.524 4.711 50 0 IJAARN Cc1cc(C(=O)COC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c(C)n1CC(F)(F)F ZINC000014706854 557111172 /nfs/dbraw/zinc/11/11/72/557111172.db2.gz UUFSVEVMUVPOBC-UHFFFAOYSA-N 0 0 448.441 4.989 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000049544966 557111136 /nfs/dbraw/zinc/11/11/36/557111136.db2.gz MBSRLCPXVGFIJF-QHCPKHFHSA-N 0 0 436.552 4.613 50 0 IJAARN O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000023743964 557113734 /nfs/dbraw/zinc/11/37/34/557113734.db2.gz OKPIGMBJCASEPO-GOSISDBHSA-N 0 0 426.847 4.822 50 0 IJAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000000724658 557116073 /nfs/dbraw/zinc/11/60/73/557116073.db2.gz AUMUMYYQPSZANO-UHFFFAOYSA-N 0 0 425.535 4.526 50 0 IJAARN COc1ccc(C[C@@H](NCc2nc3ccc(Cl)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049581001 557116248 /nfs/dbraw/zinc/11/62/48/557116248.db2.gz HQPHILDAFOYDLI-HSZRJFAPSA-N 0 0 449.938 4.667 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000033331980 557116594 /nfs/dbraw/zinc/11/65/94/557116594.db2.gz HOPXMHMDWJLJCR-DEOSSOPVSA-N 0 0 442.991 4.702 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(C1CCC(C)CC1)C3=O ZINC000033332116 557117016 /nfs/dbraw/zinc/11/70/16/557117016.db2.gz JBVNKHFXPGTURP-QSEDJUOYSA-N 0 0 437.584 4.502 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000033334123 557117237 /nfs/dbraw/zinc/11/72/37/557117237.db2.gz GBPSGLYLJFGPOL-WJDWOHSUSA-N 0 0 426.925 4.817 50 0 IJAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000209311759 557117578 /nfs/dbraw/zinc/11/75/78/557117578.db2.gz YXXZWCFXRIVIPT-NZQKXSOJSA-N 0 0 437.543 4.506 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000113627573 557118276 /nfs/dbraw/zinc/11/82/76/557118276.db2.gz ZHDUHVZCJGBPEI-KDURUIRLSA-N 0 0 426.925 4.526 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2F)c1 ZINC000001067195 557118366 /nfs/dbraw/zinc/11/83/66/557118366.db2.gz FICYXTPTZXHMTJ-UHFFFAOYSA-N 0 0 427.257 4.880 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(F)c(Cl)c1 ZINC000113626523 557118840 /nfs/dbraw/zinc/11/88/40/557118840.db2.gz HRUOCXQRIUZTNZ-CALCHBBNSA-N 0 0 444.915 4.666 50 0 IJAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000024662710 557122851 /nfs/dbraw/zinc/12/28/51/557122851.db2.gz KYKMDDYWAUXCGB-HNNXBMFYSA-N 0 0 447.318 4.879 50 0 IJAARN COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004792640 557125839 /nfs/dbraw/zinc/12/58/39/557125839.db2.gz ZWEHXIRVTVTQRP-DQEYMECFSA-N 0 0 439.515 4.736 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)o2)cc1 ZINC000023968477 557128271 /nfs/dbraw/zinc/12/82/71/557128271.db2.gz HAKTZKMNLBEGMX-UHFFFAOYSA-N 0 0 445.544 4.717 50 0 IJAARN CN(Cc1ccc2ccccc2c1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023982513 557129336 /nfs/dbraw/zinc/12/93/36/557129336.db2.gz CUQCBNCMUVGSLZ-UHFFFAOYSA-N 0 0 435.527 4.725 50 0 IJAARN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000000657029 557129967 /nfs/dbraw/zinc/12/99/67/557129967.db2.gz LZZNOUGQBFKEPJ-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000017961473 557132624 /nfs/dbraw/zinc/13/26/24/557132624.db2.gz OOEVIZYFMABITA-AWEZNQCLSA-N 0 0 445.386 4.572 50 0 IJAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1Br ZINC000017964712 557133778 /nfs/dbraw/zinc/13/37/78/557133778.db2.gz CDLFWODYUFLNGD-CYBMUJFWSA-N 0 0 441.354 4.800 50 0 IJAARN COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000002982742 557134449 /nfs/dbraw/zinc/13/44/49/557134449.db2.gz JERQUPHPKLRFMZ-XSFVSMFZSA-N 0 0 433.847 4.912 50 0 IJAARN COCCN(Cc1cccs1)C(=O)/C=C/c1cc(C)n(-c2ccnn2C(C)C)c1C ZINC000024761995 557135258 /nfs/dbraw/zinc/13/52/58/557135258.db2.gz FYLXTDBNGQOYGY-CMDGGOBGSA-N 0 0 426.586 4.621 50 0 IJAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000003144149 557143446 /nfs/dbraw/zinc/14/34/46/557143446.db2.gz CXOHAZSALSDTDK-XMMPIXPASA-N 0 0 443.547 4.949 50 0 IJAARN N=C1NC(=O)/C(=C/c2ccc(OCCOc3cccc(C(F)(F)F)c3)c(Cl)c2)S1 ZINC000016247530 557148015 /nfs/dbraw/zinc/14/80/15/557148015.db2.gz FLABQQDROUVBRA-SXGWCWSVSA-N 0 0 442.846 4.955 50 0 IJAARN CCCc1cc(=O)[nH]c(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1 ZINC000011443603 557148340 /nfs/dbraw/zinc/14/83/40/557148340.db2.gz XDSMJZZSDSPRHS-SNVBAGLBSA-N 0 0 430.580 4.602 50 0 IJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000000719813 557149543 /nfs/dbraw/zinc/14/95/43/557149543.db2.gz VKEWLQSCKJBQFA-UHFFFAOYSA-N 0 0 439.309 4.626 50 0 biogenic,in-vitro IJAARN Cc1nc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n(C[C@H]2CCCO2)c1C ZINC000024513384 557149761 /nfs/dbraw/zinc/14/97/61/557149761.db2.gz PUEXXGHGIUZOTN-SJLPKXTDSA-N 0 0 442.610 4.922 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000011481207 557152768 /nfs/dbraw/zinc/15/27/68/557152768.db2.gz PNDOZBFOHVRFKU-UHFFFAOYSA-N 0 0 446.503 4.756 50 0 IJAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000011490367 557153031 /nfs/dbraw/zinc/15/30/31/557153031.db2.gz MVOZYMKYTRGWSP-LJQANCHMSA-N 0 0 437.609 4.645 50 0 IJAARN O=C(CCn1c(=S)[nH]nc1-c1cccs1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526647 557159558 /nfs/dbraw/zinc/15/95/58/557159558.db2.gz ABDKMYNNXBWXKQ-UHFFFAOYSA-N 0 0 439.522 4.543 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929350 557161923 /nfs/dbraw/zinc/16/19/23/557161923.db2.gz JTYPQWOQKMFWDO-JOCHJYFZSA-N 0 0 432.911 4.610 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206789866 557163487 /nfs/dbraw/zinc/16/34/87/557163487.db2.gz HMJFPVFRWGIUCA-HXUWFJFHSA-N 0 0 440.469 4.768 50 0 IJAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000206879536 557165341 /nfs/dbraw/zinc/16/53/41/557165341.db2.gz KTHUSOOOCQXYNM-FQEVSTJZSA-N 0 0 434.001 4.861 50 0 IJAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3ccco3)c2)no1 ZINC000024768977 557165635 /nfs/dbraw/zinc/16/56/35/557165635.db2.gz OOLADNYZRCWJOL-UHFFFAOYSA-N 0 0 434.477 4.768 50 0 IJAARN O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000206951111 557167868 /nfs/dbraw/zinc/16/78/68/557167868.db2.gz NEGLPYYEGOWMPY-UHFFFAOYSA-N 0 0 432.876 4.961 50 0 IJAARN Cc1ccc(OCc2nc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cs2)cc1 ZINC000024833554 557171677 /nfs/dbraw/zinc/17/16/77/557171677.db2.gz IRYDYHBDSFYNPM-UHFFFAOYSA-N 0 0 449.454 4.575 50 0 IJAARN COc1ccc(CN(C(=O)Cn2cccn2)C2CCCC2)cc1OCc1cccs1 ZINC000014957377 557177255 /nfs/dbraw/zinc/17/72/55/557177255.db2.gz SJPFFBHPOAEJNG-UHFFFAOYSA-N 0 0 425.554 4.504 50 0 IJAARN Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C(C)C)c(C)c1 ZINC000009289847 557183600 /nfs/dbraw/zinc/18/36/00/557183600.db2.gz LBAAVJWKUHFNJZ-OAHLLOKOSA-N 0 0 431.587 4.631 50 0 IJAARN Cc1cc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c(C)n1CCc1ccc(F)cc1 ZINC000024988113 557186819 /nfs/dbraw/zinc/18/68/19/557186819.db2.gz MPDILDYNKZSLPN-FQEVSTJZSA-N 0 0 426.315 4.797 50 0 IJAARN COc1ccc(CCCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1C ZINC000009328162 557187005 /nfs/dbraw/zinc/18/70/05/557187005.db2.gz MDLXVQDEDHNLEY-UHFFFAOYSA-N 0 0 429.973 4.936 50 0 IJAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000100891986 557198600 /nfs/dbraw/zinc/19/86/00/557198600.db2.gz BDLOFNBNMNAGLG-VABKMULXSA-N 0 0 448.906 4.708 50 0 IJAARN CC(=O)Nc1nc(COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cs1 ZINC000025394031 557207716 /nfs/dbraw/zinc/20/77/16/557207716.db2.gz AKKRDUSNKSIEBD-UHFFFAOYSA-N 0 0 436.415 4.616 50 0 IJAARN Cc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000025404291 557208706 /nfs/dbraw/zinc/20/87/06/557208706.db2.gz FWHLYJIBYWFDOX-UHFFFAOYSA-N 0 0 432.904 4.770 50 0 IJAARN CN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766164 557211836 /nfs/dbraw/zinc/21/18/36/557211836.db2.gz NATPBPBPWJMHNA-LJQANCHMSA-N 0 0 433.430 4.630 50 0 IJAARN Cc1csc([C@@](O)(CC(=O)NCc2ccccc2Oc2ccccc2)C(F)(F)F)n1 ZINC000060215384 557213758 /nfs/dbraw/zinc/21/37/58/557213758.db2.gz CSNDMAFVIHGJKT-FQEVSTJZSA-N 0 0 436.455 4.700 50 0 IJAARN Cc1ccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101020661 557214119 /nfs/dbraw/zinc/21/41/19/557214119.db2.gz PRWRJGNDJHHWEO-GPXOXTDOSA-N 0 0 426.516 4.971 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(F)cc4)nn32)cc1 ZINC000101023801 557214385 /nfs/dbraw/zinc/21/43/85/557214385.db2.gz AOBWCILHZYRKSW-JOCHJYFZSA-N 0 0 441.466 4.734 50 0 IJAARN CCOC(=O)Cc1csc(SCC(=O)Nc2c(CC)ccc(Cl)c2CC)n1 ZINC000011646295 557219487 /nfs/dbraw/zinc/21/94/87/557219487.db2.gz RLVQDXIASOGUBQ-UHFFFAOYSA-N 0 0 426.991 4.758 50 0 IJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCCC[C@H]1c1cccn1C ZINC000025712445 557223013 /nfs/dbraw/zinc/22/30/13/557223013.db2.gz BHHZORZQFDQMLD-DEOSSOPVSA-N 0 0 429.568 4.914 50 0 IJAARN O=C(CSc1ccc2ccccc2n1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010961680 557226088 /nfs/dbraw/zinc/22/60/88/557226088.db2.gz QHFSLDYFZBFDFU-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 ZINC000024926623 557231474 /nfs/dbraw/zinc/23/14/74/557231474.db2.gz DLORJMOKXISNIS-JXMROGBWSA-N 0 0 429.307 4.849 50 0 IJAARN Cc1cc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2C(F)(F)F)no1 ZINC000026048763 557232972 /nfs/dbraw/zinc/23/29/72/557232972.db2.gz FCQFRKDDYAGXHN-UHFFFAOYSA-N 0 0 437.491 4.861 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026090611 557234339 /nfs/dbraw/zinc/23/43/39/557234339.db2.gz OPNVUDXTUCHZQE-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1F ZINC000098211385 557234496 /nfs/dbraw/zinc/23/44/96/557234496.db2.gz WCTOHFWFZAYMSF-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN C[C@H](Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000026104721 557234508 /nfs/dbraw/zinc/23/45/08/557234508.db2.gz PRXCKVHWFPXSMO-QMMMGPOBSA-N 0 0 447.891 4.787 50 0 IJAARN Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211481 557235127 /nfs/dbraw/zinc/23/51/27/557235127.db2.gz LZBFQJYCOPHAAC-UHFFFAOYSA-N 0 0 436.855 4.534 50 0 IJAARN O=C(c1cc2ccccc2cc1O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018079025 557235283 /nfs/dbraw/zinc/23/52/83/557235283.db2.gz HGTRXGXQHCKRHE-UHFFFAOYSA-N 0 0 435.833 4.575 50 0 IJAARN O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098212870 557235995 /nfs/dbraw/zinc/23/59/95/557235995.db2.gz XTCNPDPHLHTAJH-UHFFFAOYSA-N 0 0 448.420 4.513 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)C1c3ccccc3C2c2ccccc21 ZINC000018101273 557236792 /nfs/dbraw/zinc/23/67/92/557236792.db2.gz MQSJZSUDZTUUSB-JQBYJRRVSA-N 0 0 430.301 4.846 50 0 IJAARN CC(C)Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000032950600 557236960 /nfs/dbraw/zinc/23/69/60/557236960.db2.gz KZEZZBVTSXFVQG-UHFFFAOYSA-N 0 0 440.613 4.779 50 0 IJAARN COc1ccc(C)cc1CN(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000026196485 557237135 /nfs/dbraw/zinc/23/71/35/557237135.db2.gz LJLGAEVHFKWUPG-UHFFFAOYSA-N 0 0 428.330 4.532 50 0 IJAARN COc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)on1 ZINC000026234568 557237699 /nfs/dbraw/zinc/23/76/99/557237699.db2.gz BLNFFWFFPBUXCM-UHFFFAOYSA-N 0 0 445.500 4.994 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000026226774 557237739 /nfs/dbraw/zinc/23/77/39/557237739.db2.gz KSSTVCMRDKXUAY-MRXNPFEDSA-N 0 0 439.566 4.615 50 0 IJAARN O=C(Nc1cccc(OCc2ccccn2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000026246435 557237951 /nfs/dbraw/zinc/23/79/51/557237951.db2.gz NGDITOBVDLZJES-LJQANCHMSA-N 0 0 449.938 4.805 50 0 IJAARN O=C(CS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000100054005 557238820 /nfs/dbraw/zinc/23/88/20/557238820.db2.gz MINTXEIUJGGDGN-HNNXBMFYSA-N 0 0 443.739 4.651 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4cn(C)c5ccccc45)c(C)c3cc2c1C ZINC000604404872 557248150 /nfs/dbraw/zinc/24/81/50/557248150.db2.gz HMQFVNKKHZEDGV-UHFFFAOYSA-N 0 0 442.515 4.858 50 0 biogenic IJAARN O=C(COC(=O)c1ccc2ncsc2c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000018251233 557253942 /nfs/dbraw/zinc/25/39/42/557253942.db2.gz QBRDGUJGQJIELT-FQEVSTJZSA-N 0 0 426.494 4.560 50 0 IJAARN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000011016736 557256684 /nfs/dbraw/zinc/25/66/84/557256684.db2.gz PEVVZUMTRSKQQC-OPKNHHPXSA-N 0 0 438.568 4.648 50 0 IJAARN COc1ccc(CCNC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)cc1OC ZINC000032952896 557256831 /nfs/dbraw/zinc/25/68/31/557256831.db2.gz PDLHHAIKJVBXMX-UHFFFAOYSA-N 0 0 427.504 4.595 50 0 biogenic IJAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000027161249 557258571 /nfs/dbraw/zinc/25/85/71/557258571.db2.gz KBNSSVQXCUFXCJ-ZJSXRUAMSA-N 0 0 438.543 4.830 50 0 IJAARN O=C(COc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1)N1CCCC1 ZINC000027448547 557262499 /nfs/dbraw/zinc/26/24/99/557262499.db2.gz BBSCQCFXTBSVPC-UHFFFAOYSA-N 0 0 434.517 4.561 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1CCc2ccccc2C1 ZINC000027546851 557264864 /nfs/dbraw/zinc/26/48/64/557264864.db2.gz PDZUFXUUXRZEAF-MHZLTWQESA-N 0 0 435.527 4.606 50 0 IJAARN C[C@@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000027561771 557265556 /nfs/dbraw/zinc/26/55/56/557265556.db2.gz PVAMIUAGHCODQA-UZTOHYMASA-N 0 0 449.554 4.697 50 0 IJAARN O=C(Nc1cccc(-c2ccc3ccccc3c2)n1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000072271965 557267309 /nfs/dbraw/zinc/26/73/09/557267309.db2.gz GQLJWQAGMAQAMS-UHFFFAOYSA-N 0 0 428.536 4.768 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1OC ZINC000027663224 557269368 /nfs/dbraw/zinc/26/93/68/557269368.db2.gz KFAMAPDVDTUTQK-UHFFFAOYSA-N 0 0 427.298 4.708 50 0 IJAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1C ZINC000027663651 557269753 /nfs/dbraw/zinc/26/97/53/557269753.db2.gz ALAAVSXKHGUDSY-UHFFFAOYSA-N 0 0 449.576 4.586 50 0 IJAARN CC(C)CC(=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664084 557269936 /nfs/dbraw/zinc/26/99/36/557269936.db2.gz XQFDUDMUECHCGA-QGZVFWFLSA-N 0 0 443.487 4.527 50 0 IJAARN Cc1ccc(-n2ncnc2-c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c(C)c1 ZINC000032955179 557271571 /nfs/dbraw/zinc/27/15/71/557271571.db2.gz URDHSHUNQISAJP-UHFFFAOYSA-N 0 0 438.531 4.857 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000829725 557272410 /nfs/dbraw/zinc/27/24/10/557272410.db2.gz DGADZIXJYCDISR-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(C)c(-n2c(CNc3ccccc3C)nnc2SCC(=O)NC2CCCC2)c1 ZINC000027753271 557273481 /nfs/dbraw/zinc/27/34/81/557273481.db2.gz QCQUNHXYJYYOQZ-UHFFFAOYSA-N 0 0 449.624 4.956 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000027792912 557274082 /nfs/dbraw/zinc/27/40/82/557274082.db2.gz NPPOMKNTTNKSFT-LJQANCHMSA-N 0 0 439.537 4.547 50 0 IJAARN COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1OC ZINC000027793791 557274371 /nfs/dbraw/zinc/27/43/71/557274371.db2.gz HPFDXQVJJFXSIE-CYBMUJFWSA-N 0 0 447.944 4.899 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100744319 557275381 /nfs/dbraw/zinc/27/53/81/557275381.db2.gz YTCLHUBKKIDIGF-UPRAQXHNSA-N 0 0 442.309 4.594 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000101080113 557282544 /nfs/dbraw/zinc/28/25/44/557282544.db2.gz FCVOJQGHGGDHIQ-UPRAQXHNSA-N 0 0 442.309 4.594 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccccc1Cl ZINC000011665529 557284133 /nfs/dbraw/zinc/28/41/33/557284133.db2.gz JTLSQVFAVRKWHP-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000101554661 557291101 /nfs/dbraw/zinc/29/11/01/557291101.db2.gz SMIQCXYKJPZTIA-GCJKJVERSA-N 0 0 436.515 4.547 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000101361609 557291783 /nfs/dbraw/zinc/29/17/83/557291783.db2.gz JSAZXLHCIXZYIC-FGZHOGPDSA-N 0 0 445.563 4.917 50 0 IJAARN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000014075549 557299154 /nfs/dbraw/zinc/29/91/54/557299154.db2.gz GQRPBPGJPWDKAL-CQSZACIVSA-N 0 0 428.414 4.823 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@H](C)C5)ccc4[nH]cc-3c2=O)cc1C ZINC000101827845 557299725 /nfs/dbraw/zinc/29/97/25/557299725.db2.gz OUJUDGJFQVBDGQ-IYBDPMFKSA-N 0 0 428.536 4.554 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccccc3Cl)C(=O)c3ccccc3)nn2c1=O ZINC000101861373 557304143 /nfs/dbraw/zinc/30/41/43/557304143.db2.gz VVVZTHNLUOQPFS-UHFFFAOYSA-N 0 0 449.942 4.569 50 0 IJAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)c1 ZINC000101881724 557305724 /nfs/dbraw/zinc/30/57/24/557305724.db2.gz OEHGBLKKCYQHSB-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)N1CCc3ccccc3C1)C(=O)CC(c1cccs1)=N2 ZINC000101947718 557308281 /nfs/dbraw/zinc/30/82/81/557308281.db2.gz QIWUQFOKDSMOBX-UHFFFAOYSA-N 0 0 443.572 4.807 50 0 IJAARN Cc1cccc(NC(=O)CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1C ZINC000014137058 557309613 /nfs/dbraw/zinc/30/96/13/557309613.db2.gz MWPRASUDWTWVKA-UHFFFAOYSA-N 0 0 430.533 4.586 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000102201479 557314913 /nfs/dbraw/zinc/31/49/13/557314913.db2.gz ZGXXIHDJVRSBLX-UHFFFAOYSA-N 0 0 443.459 4.820 50 0 IJAARN COc1cc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1 ZINC000014201883 557317536 /nfs/dbraw/zinc/31/75/36/557317536.db2.gz TUSYHAYIFWPGOX-UHFFFAOYSA-N 0 0 432.520 4.602 50 0 IJAARN CC/C(=C\c1sc2cc(OC)c3ccsc3c2[n+]1CCCS(=O)(=O)[O-])SC ZINC000032915934 557318198 /nfs/dbraw/zinc/31/81/98/557318198.db2.gz IZTLGIIUMNPMMF-ZRDIBKRKSA-O 0 0 444.645 4.804 50 0 IJAARN O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000023994288 557319238 /nfs/dbraw/zinc/31/92/38/557319238.db2.gz DFRRGLDXSFHVSI-ZETCQYMHSA-N 0 0 441.096 4.719 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033011854 557320899 /nfs/dbraw/zinc/32/08/99/557320899.db2.gz ICAAQZBHMWOMRS-UHFFFAOYSA-N 0 0 448.957 4.573 50 0 IJAARN Cc1nn(-c2nc(CC(=O)NCc3ccccc3C)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019485 557321090 /nfs/dbraw/zinc/32/10/90/557321090.db2.gz XVCSERJGOJUCOF-UHFFFAOYSA-N 0 0 448.567 4.843 50 0 IJAARN CN1c2ccc(C(=O)Nc3ccc(Br)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033088648 557322449 /nfs/dbraw/zinc/32/24/49/557322449.db2.gz ARCGYRWAIBNJIU-UHFFFAOYSA-N 0 0 443.322 4.507 50 0 IJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(Br)o1 ZINC000033077539 557323781 /nfs/dbraw/zinc/32/37/81/557323781.db2.gz LUYRINWZQHICLW-UHFFFAOYSA-N 0 0 438.281 4.610 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142070 557325764 /nfs/dbraw/zinc/32/57/64/557325764.db2.gz ABCWNQOMMUBXJO-HXUWFJFHSA-N 0 0 430.552 4.980 50 0 IJAARN COc1ccc(NC(=O)NCCC(=O)N(Cc2cccs2)Cc2cccs2)cc1 ZINC000024468607 557327307 /nfs/dbraw/zinc/32/73/07/557327307.db2.gz XWUPIRCGYMGMIQ-UHFFFAOYSA-N 0 0 429.567 4.559 50 0 IJAARN COc1ccc(C)cc1NC(=O)CCc1nc(CSc2nc3cc(C)ccc3o2)no1 ZINC000033270978 557328625 /nfs/dbraw/zinc/32/86/25/557328625.db2.gz PQNKFFXOORVFAC-UHFFFAOYSA-N 0 0 438.509 4.700 50 0 IJAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)n[nH]2)c1 ZINC000033270815 557328636 /nfs/dbraw/zinc/32/86/36/557328636.db2.gz DNKQPFHDLUKRKU-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN CCn1c(SCC(=O)NCCc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278113 557329227 /nfs/dbraw/zinc/32/92/27/557329227.db2.gz IFYMTLZLOBWENG-UHFFFAOYSA-N 0 0 449.601 4.596 50 0 IJAARN COc1ccccc1-c1noc(-c2nnn(Cc3nc(-c4cccc(C)c4)oc3C)c2C)n1 ZINC000033296976 557330452 /nfs/dbraw/zinc/33/04/52/557330452.db2.gz QEPNYKHEHUQXSY-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN O=C(COC(=O)c1cccc2cnccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000072312552 557333665 /nfs/dbraw/zinc/33/36/65/557333665.db2.gz PMEGOVVXEBFRMJ-IBGZPJMESA-N 0 0 447.541 4.893 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000102530218 557341666 /nfs/dbraw/zinc/34/16/66/557341666.db2.gz PMSFHHBLXAEUKJ-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc4c(c3)OCO4)C(=O)C2)c(C)c1 ZINC000102531115 557343090 /nfs/dbraw/zinc/34/30/90/557343090.db2.gz NYVPCYFRKKZMFY-UHFFFAOYSA-N 0 0 441.487 4.528 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C(=O)C2)cc1 ZINC000102530907 557343110 /nfs/dbraw/zinc/34/31/10/557343110.db2.gz QUQWEIKQMOBWQU-UHFFFAOYSA-N 0 0 429.495 4.562 50 0 IJAARN CC(C)NC(=O)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000023335912 557348526 /nfs/dbraw/zinc/34/85/26/557348526.db2.gz WFCHTCSJDGJKIZ-UHFFFAOYSA-N 0 0 442.485 4.718 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023430548 557355233 /nfs/dbraw/zinc/35/52/33/557355233.db2.gz NHGAZNBQKZFPOD-QHCPKHFHSA-N 0 0 444.959 4.575 50 0 IJAARN COC(=O)c1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 ZINC000023442439 557358357 /nfs/dbraw/zinc/35/83/57/557358357.db2.gz VFGDICZTBOQTPC-DEOSSOPVSA-N 0 0 446.503 4.670 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(F)ccc2F)cc1 ZINC000023446701 557359143 /nfs/dbraw/zinc/35/91/43/557359143.db2.gz CPFUFXFGNQSWBR-DEOSSOPVSA-N 0 0 439.458 4.779 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1OC)n2Cc1ccccn1 ZINC000023459980 557360295 /nfs/dbraw/zinc/36/02/95/557360295.db2.gz IPQSANDZBLGRBW-UHFFFAOYSA-N 0 0 433.533 4.957 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102663045 557362095 /nfs/dbraw/zinc/36/20/95/557362095.db2.gz VVVMRLYSMZETSR-RJGXRXQPSA-N 0 0 448.906 4.790 50 0 IJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCc4cccc(Cl)c4)c3)n2)o1 ZINC000023456493 557362652 /nfs/dbraw/zinc/36/26/52/557362652.db2.gz UIWAXYIBXIVORM-UHFFFAOYSA-N 0 0 449.942 4.980 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4n[nH]c5ccccc54)cc3)sc2c1 ZINC000033756635 557369075 /nfs/dbraw/zinc/36/90/75/557369075.db2.gz NMSACFOIOWOTKB-UHFFFAOYSA-N 0 0 442.500 4.944 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cc(OC)cc(OC)c3)C2)cc1 ZINC000102745045 557377673 /nfs/dbraw/zinc/37/76/73/557377673.db2.gz LKHWEYKXPUEDCQ-PEBXRYMYSA-N 0 0 448.479 4.724 50 0 IJAARN Cc1cc(OS(=O)(=O)c2cccc3cccnc32)n(-c2ccc(Cl)cc2Cl)n1 ZINC000011691561 557379426 /nfs/dbraw/zinc/37/94/26/557379426.db2.gz QWBZVVLQPFUYRV-UHFFFAOYSA-N 0 0 434.304 4.803 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cc(OC)ccc3OC)C2)cc1 ZINC000102753068 557383431 /nfs/dbraw/zinc/38/34/31/557383431.db2.gz OPKCENXLSILZCK-JLCFBVMHSA-N 0 0 448.479 4.724 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000011691951 557385356 /nfs/dbraw/zinc/38/53/56/557385356.db2.gz HSUKLMMUYBWFQD-UHFFFAOYSA-N 0 0 432.524 4.961 50 0 IJAARN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000011692847 557389349 /nfs/dbraw/zinc/38/93/49/557389349.db2.gz JGCLUPJKQSWUFA-KGLIPLIRSA-N 0 0 429.303 4.675 50 0 biogenic IJAARN COc1cc(OC)c([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)cc1OC ZINC000102832992 557394365 /nfs/dbraw/zinc/39/43/65/557394365.db2.gz ZIRQMJOMGXZTBH-FPTDNZKUSA-N 0 0 448.479 4.724 50 0 IJAARN CC[C@H](C)[C@H](C(=O)N[C@@H]1CCCc2c3cc(OC)ccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000257198593 557395306 /nfs/dbraw/zinc/39/53/06/557395306.db2.gz DBIUIUGXWXMGLB-CDSRXRBVSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN Clc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000033424807 557396383 /nfs/dbraw/zinc/39/63/83/557396383.db2.gz OWVSLYAKQVFWTP-UHFFFAOYSA-N 0 0 428.989 4.668 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000033423500 557396388 /nfs/dbraw/zinc/39/63/88/557396388.db2.gz DTSNAZNTIZPMQO-UHFFFAOYSA-N 0 0 429.568 4.655 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccccc1F ZINC000013955800 557397472 /nfs/dbraw/zinc/39/74/72/557397472.db2.gz OWANTHZPBADLJL-UHFFFAOYSA-N 0 0 440.544 4.626 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000004926303 557408888 /nfs/dbraw/zinc/40/88/88/557408888.db2.gz WZNPMRDSBXQSDK-UHFFFAOYSA-N 0 0 427.544 4.921 50 0 IJAARN COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1)c1ccc(C)cc1C ZINC000103539998 557438668 /nfs/dbraw/zinc/43/86/68/557438668.db2.gz LHQKHRFCDHODJW-WVQWTBLQSA-N 0 0 432.564 4.907 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2ccccc2F)[C@H]1C ZINC000104795186 557461924 /nfs/dbraw/zinc/46/19/24/557461924.db2.gz CMDXPQYOCAAKAJ-MSYCTHLASA-N 0 0 441.616 4.643 50 0 IJAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)OC1=O)c1ccco1 ZINC000015821876 557467563 /nfs/dbraw/zinc/46/75/63/557467563.db2.gz DCGDDZSHWNFVBT-FOWTUZBSSA-N 0 0 438.233 4.606 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000016193632 557470460 /nfs/dbraw/zinc/47/04/60/557470460.db2.gz ZAOJIAXUNIAFRM-AWEZNQCLSA-N 0 0 439.496 4.688 50 0 IJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1ccccc1Br ZINC000046913648 557513354 /nfs/dbraw/zinc/51/33/54/557513354.db2.gz GLPTZCJKTKPPTI-UHFFFAOYSA-N 0 0 436.313 4.683 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)sc2c1CCCC2 ZINC000012062877 557525895 /nfs/dbraw/zinc/52/58/95/557525895.db2.gz IUODIYLYSVKCDU-UHFFFAOYSA-N 0 0 425.506 4.779 50 0 IJAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2cccs2)c1 ZINC000045924530 557549570 /nfs/dbraw/zinc/54/95/70/557549570.db2.gz DAGGSVSYSMRXBG-UHFFFAOYSA-N 0 0 440.575 4.516 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942052 557551763 /nfs/dbraw/zinc/55/17/63/557551763.db2.gz OACMKPKLPCUSEN-DEOSSOPVSA-N 0 0 443.499 4.577 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000045943363 557552331 /nfs/dbraw/zinc/55/23/31/557552331.db2.gz KVKBIRADZWGQTM-UHFFFAOYSA-N 0 0 447.310 4.622 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NCC1CCCCC1 ZINC000045962055 557557055 /nfs/dbraw/zinc/55/70/55/557557055.db2.gz KBQPIGIIEYNZEO-UHFFFAOYSA-N 0 0 426.538 4.894 50 0 IJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000040060259 557687740 /nfs/dbraw/zinc/68/77/40/557687740.db2.gz AYHFFICBYGVJJT-LFIBNONCSA-N 0 0 436.515 4.854 50 0 IJAARN COc1ccccc1CNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355821 557713685 /nfs/dbraw/zinc/71/36/85/557713685.db2.gz XPBKTTJKSIVHJE-UHFFFAOYSA-N 0 0 436.320 4.641 50 0 IJAARN Cn1nccc1-c1ccccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000225451761 557724442 /nfs/dbraw/zinc/72/44/42/557724442.db2.gz QAAUVPGNIXUWGU-UHFFFAOYSA-N 0 0 425.532 4.804 50 0 IJAARN Cn1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc21 ZINC000225486305 557728466 /nfs/dbraw/zinc/72/84/66/557728466.db2.gz QEZMINVRJCRUCB-LJQANCHMSA-N 0 0 434.298 4.868 50 0 IJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC000225541115 557738996 /nfs/dbraw/zinc/73/89/96/557738996.db2.gz MSUNEGBMXVMGLG-UHFFFAOYSA-N 0 0 437.005 4.600 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000225783369 557777596 /nfs/dbraw/zinc/77/75/96/557777596.db2.gz KHYCBQLUNPAWMG-XMMPIXPASA-N 0 0 426.451 4.769 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000226576049 557807104 /nfs/dbraw/zinc/80/71/04/557807104.db2.gz BHKYXJZGXBVITE-VZJVUDMVSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1cccs1 ZINC000000851218 557830834 /nfs/dbraw/zinc/83/08/34/557830834.db2.gz KPIZJYKGIGLXTD-SAPNQHFASA-N 0 0 433.371 4.684 50 0 IJAARN COCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040817 557842063 /nfs/dbraw/zinc/84/20/63/557842063.db2.gz IZWAYYQJYIITGC-UHFFFAOYSA-N 0 0 432.545 4.765 50 0 IJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000886974 557855936 /nfs/dbraw/zinc/85/59/36/557855936.db2.gz NKOFKZIBTFYECQ-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000958826 562919842 /nfs/dbraw/zinc/91/98/42/562919842.db2.gz SEBGZWFSPQAELZ-OAHLLOKOSA-N 0 0 438.597 4.863 50 0 IJAARN COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2C(=O)c2ccccc2F)cc1OC ZINC000000999141 562919961 /nfs/dbraw/zinc/91/99/61/562919961.db2.gz UIRDBRBCPDSGGT-UHFFFAOYSA-N 0 0 438.451 4.517 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)c1 ZINC000001509659 562922417 /nfs/dbraw/zinc/92/24/17/562922417.db2.gz DNNSSKWZWADMGS-QHCPKHFHSA-N 0 0 436.895 4.541 50 0 IJAARN O=c1c(F)cn(Cc2c(Cl)cccc2Cl)c(=O)n1Cc1c(Cl)cccc1Cl ZINC000001647091 562923669 /nfs/dbraw/zinc/92/36/69/562923669.db2.gz HZHUEKUZQLHQCE-UHFFFAOYSA-N 0 0 448.108 4.859 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000002647346 562929223 /nfs/dbraw/zinc/92/92/23/562929223.db2.gz JVXPGBDTFBFMJJ-UHFFFAOYSA-N 0 0 435.530 4.742 50 0 aggregator IJAARN CCCCOc1ccc([C@H](C)NC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000002940962 562930943 /nfs/dbraw/zinc/93/09/43/562930943.db2.gz WPKGNQHZTUXUMN-KRWDZBQOSA-N 0 0 437.989 4.701 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002965469 562931260 /nfs/dbraw/zinc/93/12/60/562931260.db2.gz KSKXGTQSAFKPHW-WOJBJXKFSA-N 0 0 434.565 4.760 50 0 IJAARN O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn21)Nc1ccc(F)cc1 ZINC000002969409 562931363 /nfs/dbraw/zinc/93/13/63/562931363.db2.gz WTYLBEULUYNPSF-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NCc1ccco1 ZINC000003229174 562933085 /nfs/dbraw/zinc/93/30/85/562933085.db2.gz IPDHZGJRLFXHEK-UHFFFAOYSA-N 0 0 432.448 4.811 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3cc4c(s3)CCCC4)s2)cc1 ZINC000003369353 562934992 /nfs/dbraw/zinc/93/49/92/562934992.db2.gz JEHYSPSCDUEQJZ-UHFFFAOYSA-N 0 0 445.591 4.810 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(COC(=O)[C@@H]4C[C@@H]4C)o3)c3ccccc3n2)cc1OC ZINC000003387500 562935123 /nfs/dbraw/zinc/93/51/23/562935123.db2.gz DMGFPNFNXGWPFK-WMLDXEAASA-N 0 0 445.475 4.668 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000003584884 562936586 /nfs/dbraw/zinc/93/65/86/562936586.db2.gz CVCVBNMBHLJEAB-UHFFFAOYSA-N 0 0 448.272 4.700 50 0 IJAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003586230 562936593 /nfs/dbraw/zinc/93/65/93/562936593.db2.gz KRLWLTZJIUBROQ-UHFFFAOYSA-N 0 0 432.145 4.835 50 0 IJAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(-c4ccccc4)nn32)c1 ZINC000003634808 562937135 /nfs/dbraw/zinc/93/71/35/562937135.db2.gz PPVLHGDIWHZFSV-HSZRJFAPSA-N 0 0 437.503 4.881 50 0 IJAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000006488864 562946776 /nfs/dbraw/zinc/94/67/76/562946776.db2.gz FSYLYSSBGQSPHH-GFCCVEGCSA-N 0 0 442.368 4.931 50 0 IJAARN CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4)cc(C(=O)NCCCOC)c32)cc1 ZINC000008583931 562949920 /nfs/dbraw/zinc/94/99/20/562949920.db2.gz PEOGTDSFVMOEGR-UHFFFAOYSA-N 0 0 444.535 4.629 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)c2ccc(C)c(C)c2)c1=O ZINC000008587298 562950248 /nfs/dbraw/zinc/95/02/48/562950248.db2.gz RAQSZUDMPYVSAX-UHFFFAOYSA-N 0 0 439.515 4.912 50 0 IJAARN COc1cc(-c2nnc(SCCOc3ccc(C)c(Cl)c3)o2)cc(OC)c1OC ZINC000008587174 562950270 /nfs/dbraw/zinc/95/02/70/562950270.db2.gz WIOUPDYIKMLBFT-UHFFFAOYSA-N 0 0 436.917 4.895 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C)cc2Br)sc2nc3n(c(=O)c12)CCCCC3 ZINC000008588235 562950645 /nfs/dbraw/zinc/95/06/45/562950645.db2.gz NZXMHHDHCJFGKJ-UHFFFAOYSA-N 0 0 446.370 4.816 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008590114 562951467 /nfs/dbraw/zinc/95/14/67/562951467.db2.gz BAUATRFJBPQMDH-SFHVURJKSA-N 0 0 431.941 4.533 50 0 IJAARN COc1ccc(Cn2c(SCc3ccc(C(=O)NC(C)C)cc3)nc3cccnc32)cc1 ZINC000008590248 562951549 /nfs/dbraw/zinc/95/15/49/562951549.db2.gz NEEQCRRVLRUAOC-UHFFFAOYSA-N 0 0 446.576 4.919 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008590369 562951623 /nfs/dbraw/zinc/95/16/23/562951623.db2.gz KPUCNBGROJABCQ-QHCPKHFHSA-N 0 0 426.472 4.953 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)N(C)c3ccccc3)c3ccccc23)cc1 ZINC000008590381 562951647 /nfs/dbraw/zinc/95/16/47/562951647.db2.gz WECGTOTUIBCYJH-UHFFFAOYSA-N 0 0 432.545 4.587 50 0 IJAARN O=C(CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O)NCc1ccccc1F ZINC000008590517 562951721 /nfs/dbraw/zinc/95/17/21/562951721.db2.gz FYLJKNJWNWQPEC-UHFFFAOYSA-N 0 0 439.874 4.723 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(C)c3)c2=O)CCCC4)cc1 ZINC000008591973 562952201 /nfs/dbraw/zinc/95/22/01/562952201.db2.gz NBPUUGFOPCSADH-UHFFFAOYSA-N 0 0 446.572 4.848 50 0 IJAARN COc1cc(OC)c(N(C)C(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1Cl ZINC000008595715 562953655 /nfs/dbraw/zinc/95/36/55/562953655.db2.gz RCHOEPVULXKTCR-UHFFFAOYSA-N 0 0 443.931 4.996 50 0 IJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000008597633 562954018 /nfs/dbraw/zinc/95/40/18/562954018.db2.gz FGSJMEXNQOYICV-MUUNZHRXSA-N 0 0 437.348 4.522 50 0 IJAARN Cc1ccc(Cn2c(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3cccnc32)cc1 ZINC000008600231 562954971 /nfs/dbraw/zinc/95/49/71/562954971.db2.gz IAEXIAWKMBSJKI-UHFFFAOYSA-N 0 0 448.592 4.564 50 0 IJAARN O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000008601625 562955483 /nfs/dbraw/zinc/95/54/83/562955483.db2.gz AOCPHVUCWMBGST-LJQANCHMSA-N 0 0 437.908 4.718 50 0 IJAARN Cc1ccc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)cc1Cl ZINC000008603010 562955881 /nfs/dbraw/zinc/95/58/81/562955881.db2.gz ZGFQESGLNIWGOP-UHFFFAOYSA-N 0 0 426.929 4.526 50 0 IJAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000008603854 562956140 /nfs/dbraw/zinc/95/61/40/562956140.db2.gz WMGOHMOSSLQSHF-UHFFFAOYSA-N 0 0 426.541 4.977 50 0 IJAARN O=C(Nc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1)c1cccc(F)c1 ZINC000008603877 562956179 /nfs/dbraw/zinc/95/61/79/562956179.db2.gz DMSHEUWVNUNEED-UHFFFAOYSA-N 0 0 449.507 4.605 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)sc2c1 ZINC000008605097 562956568 /nfs/dbraw/zinc/95/65/68/562956568.db2.gz FVTGJIOOEIUQMP-MRXNPFEDSA-N 0 0 429.973 4.881 50 0 IJAARN COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)NC4CCCCC4)c3c2cc1OC ZINC000008605931 562956858 /nfs/dbraw/zinc/95/68/58/562956858.db2.gz FBOZLGLZAGRZAP-UHFFFAOYSA-N 0 0 444.535 4.718 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1cccc(C)c1 ZINC000008606292 562956937 /nfs/dbraw/zinc/95/69/37/562956937.db2.gz DBPQWCNPYIWGOS-JOCHJYFZSA-N 0 0 441.491 4.783 50 0 IJAARN COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000008606548 562957003 /nfs/dbraw/zinc/95/70/03/562957003.db2.gz FIEALEDMLKAOHI-VWLOTQADSA-N 0 0 425.488 4.579 50 0 IJAARN COc1ccc([C@@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008606632 562957068 /nfs/dbraw/zinc/95/70/68/562957068.db2.gz DPXOUDJQNZBQJH-XMMPIXPASA-N 0 0 429.476 4.746 50 0 aggregator IJAARN CSc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008606668 562957093 /nfs/dbraw/zinc/95/70/93/562957093.db2.gz YYUFQXIAEUUXSM-QHCPKHFHSA-N 0 0 428.517 4.645 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000008608930 562957578 /nfs/dbraw/zinc/95/75/78/562957578.db2.gz XELPIIFZJJXIAC-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c(C)c1 ZINC000008610104 562958102 /nfs/dbraw/zinc/95/81/02/562958102.db2.gz DPDUGHSBIVUMRF-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000008614116 562959541 /nfs/dbraw/zinc/95/95/41/562959541.db2.gz DAPJUEJLBHKHLN-FQEVSTJZSA-N 0 0 449.576 4.642 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N[C@H](C)c4ccccc4)nc23)cc1 ZINC000008618982 562959722 /nfs/dbraw/zinc/95/97/22/562959722.db2.gz MXWNYMNWSAHNDN-OAHLLOKOSA-N 0 0 449.561 4.653 50 0 IJAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008619675 562959946 /nfs/dbraw/zinc/95/99/46/562959946.db2.gz JDAUALYZQWGDOW-UHFFFAOYSA-N 0 0 429.501 4.680 50 0 IJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccc(F)cc4)n3n2)n1 ZINC000008673661 562961303 /nfs/dbraw/zinc/96/13/03/562961303.db2.gz AVBXQCFUYJIDSG-UHFFFAOYSA-N 0 0 432.528 4.765 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008685559 562962530 /nfs/dbraw/zinc/96/25/30/562962530.db2.gz MRQCULSXSMBXKR-UHFFFAOYSA-N 0 0 435.760 4.930 50 0 IJAARN COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000009111667 562967144 /nfs/dbraw/zinc/96/71/44/562967144.db2.gz VNZXNNDQTUGVJM-QHCPKHFHSA-N 0 0 438.911 4.872 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCCCn3ccnc3)c(=O)oc12 ZINC000009187769 562968032 /nfs/dbraw/zinc/96/80/32/562968032.db2.gz SOCZILXFTHVQFG-UHFFFAOYSA-N 0 0 449.551 4.789 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)CCc1cccnc1)C2 ZINC000011982940 562980034 /nfs/dbraw/zinc/98/00/34/562980034.db2.gz VVTLOINDJCVDEU-IBGZPJMESA-N 0 0 429.545 4.719 50 0 IJAARN COc1ccc(NC(=S)N(CCc2ccc(OC)c(OC)c2)Cc2ccccn2)cc1 ZINC000013138717 562985168 /nfs/dbraw/zinc/98/51/68/562985168.db2.gz RCSCKRDTDJFVNV-UHFFFAOYSA-N 0 0 437.565 4.549 50 0 IJAARN O=c1c(Cl)nc2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020218961 563024127 /nfs/dbraw/zinc/02/41/27/563024127.db2.gz IOARIYKAASODPP-UHFFFAOYSA-N 0 0 437.636 4.883 50 0 IJAARN CCc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020441005 563024976 /nfs/dbraw/zinc/02/49/76/563024976.db2.gz XPSIKVKQGXEMJM-IXCJQBJRSA-N 0 0 431.576 4.610 50 0 IJAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)o1 ZINC000037868471 563096001 /nfs/dbraw/zinc/09/60/01/563096001.db2.gz VQNPXHLTVHNWHE-HXUWFJFHSA-N 0 0 431.492 4.735 50 0 IJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c(Br)c1 ZINC000040154885 563099351 /nfs/dbraw/zinc/09/93/51/563099351.db2.gz IGGQSHFPFMZZSY-UHFFFAOYSA-N 0 0 430.327 4.721 50 0 IJAARN CC(C)[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000015026918 568632193 /nfs/dbraw/zinc/63/21/93/568632193.db2.gz LIMMFQRSBLLIAY-JOCHJYFZSA-N 0 0 446.341 4.697 50 0 IJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000248181826 568634375 /nfs/dbraw/zinc/63/43/75/568634375.db2.gz DTWIAOWCRRLBAN-RLWLMLJZSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccccc1Nc1nc(N)nc(CSCc2coc(-c3ccc(C)cc3)n2)n1 ZINC000025090540 568636008 /nfs/dbraw/zinc/63/60/08/568636008.db2.gz VTVCVYAOGFVWCF-UHFFFAOYSA-N 0 0 434.525 4.603 50 0 IJAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1cccc2nsnc21 ZINC000019078488 568638498 /nfs/dbraw/zinc/63/84/98/568638498.db2.gz IQZVIJYZKXQVHG-UHFFFAOYSA-N 0 0 435.556 4.538 50 0 IJAARN COc1ccc(-c2csc3ncn([C@@H](C)C(=O)Nc4ccc(C)cc4)c(=O)c23)cc1OC ZINC000000937706 568638894 /nfs/dbraw/zinc/63/88/94/568638894.db2.gz BLDUHMVZBNFORP-HNNXBMFYSA-N 0 0 449.532 4.650 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n(-c2ccc(F)cc2)n1 ZINC000025145507 568640407 /nfs/dbraw/zinc/64/04/07/568640407.db2.gz XMXJLWIMKSNWRO-UHFFFAOYSA-N 0 0 448.454 4.712 50 0 IJAARN CC1=Nc2ncnn2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C1C(=O)OC(C)C ZINC000000940426 568641620 /nfs/dbraw/zinc/64/16/20/568641620.db2.gz TUMBFMTVDLRVCK-NRFANRHFSA-N 0 0 438.915 4.751 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000943248 568641811 /nfs/dbraw/zinc/64/18/11/568641811.db2.gz NVIDCDOUPCEVNA-FQEVSTJZSA-N 0 0 438.405 4.551 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c1C ZINC000000943165 568641934 /nfs/dbraw/zinc/64/19/34/568641934.db2.gz QQWPEHMSXCVQEG-UHFFFAOYSA-N 0 0 429.567 4.667 50 0 IJAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000000953989 568646957 /nfs/dbraw/zinc/64/69/57/568646957.db2.gz HKUHKRJFLLZKRF-XXBNENTESA-N 0 0 439.968 4.946 50 0 IJAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000001015635 568652240 /nfs/dbraw/zinc/65/22/40/568652240.db2.gz DKALLGQVJAFPFC-UHFFFAOYSA-N 0 0 449.359 4.823 50 0 IJAARN COC(=O)c1ccc(COc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 ZINC000001050371 568654665 /nfs/dbraw/zinc/65/46/65/568654665.db2.gz KUKRZLFOLDWBPV-UHFFFAOYSA-N 0 0 446.455 4.843 50 0 biogenic IJAARN Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1ccc(C)c(C)c1C ZINC000001072125 568656271 /nfs/dbraw/zinc/65/62/71/568656271.db2.gz BJPYBSIYSNKABR-UHFFFAOYSA-N 0 0 435.387 4.685 50 0 IJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC)cc32)c2ccccc12 ZINC000001089993 568658273 /nfs/dbraw/zinc/65/82/73/568658273.db2.gz HMNMKJDRKLPLHK-UHFFFAOYSA-N 0 0 438.549 4.558 50 0 IJAARN COC(=O)C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348203 568731105 /nfs/dbraw/zinc/73/11/05/568731105.db2.gz CDAUSDISIHTTHK-DNQZVJBRSA-N 0 0 446.584 4.746 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000257357536 568731568 /nfs/dbraw/zinc/73/15/68/568731568.db2.gz ORXKASWXOVPKDV-DHAMROCESA-N 0 0 430.629 4.685 50 0 IJAARN CCc1nc(SCC(=O)c2ccc3c(c2)OCO3)nc(N)c1-c1ccc(Cl)cc1 ZINC000025588737 568736831 /nfs/dbraw/zinc/73/68/31/568736831.db2.gz ZVESLXORNBAURC-UHFFFAOYSA-N 0 0 427.913 4.645 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCCC(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000005830237 568737748 /nfs/dbraw/zinc/73/77/48/568737748.db2.gz WCJSQYATMBZVJM-FXAWDEMLSA-N 0 0 430.618 4.959 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001784917 568739852 /nfs/dbraw/zinc/73/98/52/568739852.db2.gz PEDOGNHRTWKZKI-ZDUSSCGKSA-N 0 0 444.988 4.605 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000001960835 568742426 /nfs/dbraw/zinc/74/24/26/568742426.db2.gz XZPOUYJGXAQTRB-UHFFFAOYSA-N 0 0 427.378 4.732 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 ZINC000003219429 568743214 /nfs/dbraw/zinc/74/32/14/568743214.db2.gz IRQZFXCPLKGRKQ-UHFFFAOYSA-N 0 0 435.907 4.752 50 0 IJAARN CCOC(=O)c1sc2[nH]c(CSc3ccc(Br)cc3)nc(=O)c2c1C ZINC000003251663 568744026 /nfs/dbraw/zinc/74/40/26/568744026.db2.gz GBJGHFAEFRZOFW-UHFFFAOYSA-N 0 0 439.356 4.525 50 0 IJAARN C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003279373 568744986 /nfs/dbraw/zinc/74/49/86/568744986.db2.gz GYIILUDERCUSBZ-LLVKDONJSA-N 0 0 433.291 4.736 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000003291778 568745339 /nfs/dbraw/zinc/74/53/39/568745339.db2.gz CWRHYEULZIIYNA-KDOFPFPSSA-N 0 0 441.622 4.851 50 0 IJAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000044002182 568745494 /nfs/dbraw/zinc/74/54/94/568745494.db2.gz KXUOUMMENXWFFR-VAWYXSNFSA-N 0 0 442.515 4.585 50 0 IJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 ZINC000003320171 568746012 /nfs/dbraw/zinc/74/60/12/568746012.db2.gz AQLCUIBCZGWWJC-QFIPXVFZSA-N 0 0 445.357 4.593 50 0 IJAARN COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1OC ZINC000003409339 568748491 /nfs/dbraw/zinc/74/84/91/568748491.db2.gz CTKOHSIRSAQCJB-UHFFFAOYSA-N 0 0 445.494 4.668 50 0 IJAARN CSc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1 ZINC000003636679 568752115 /nfs/dbraw/zinc/75/21/15/568752115.db2.gz WKEGHPPADQSAQE-MGPUTAFESA-N 0 0 438.574 4.801 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 ZINC000003649143 568752558 /nfs/dbraw/zinc/75/25/58/568752558.db2.gz QVOBBFMKCDTNHA-HKWRFOASSA-N 0 0 439.968 4.978 50 0 IJAARN Cc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000003766204 568754270 /nfs/dbraw/zinc/75/42/70/568754270.db2.gz FPSOMEDARHYUNF-FCKOQQNDSA-N 0 0 440.593 4.689 50 0 IJAARN CCOc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003672727 568754295 /nfs/dbraw/zinc/75/42/95/568754295.db2.gz MPXRDSFQWVZBOE-RUZDIDTESA-N 0 0 429.476 4.742 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)COc1cc(C)c(Cl)cc1C(C)C ZINC000015280005 568754779 /nfs/dbraw/zinc/75/47/79/568754779.db2.gz DBBTUQNQTSWYLT-UHFFFAOYSA-N 0 0 447.915 4.509 50 0 IJAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccccc1 ZINC000015329479 568758333 /nfs/dbraw/zinc/75/83/33/568758333.db2.gz APXMZQYRVMOZNX-UHFFFAOYSA-N 0 0 433.485 4.868 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccccc2)cc1OC ZINC000263585195 568758927 /nfs/dbraw/zinc/75/89/27/568758927.db2.gz GFJGGHYAOLFCMY-INIZCTEOSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccc3cccnc31)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585412 568759075 /nfs/dbraw/zinc/75/90/75/568759075.db2.gz IHWNONWYHAKRGW-HSZRJFAPSA-N 0 0 436.515 4.971 50 0 biogenic IJAARN COc1cccc(C(=O)Nc2nc(-c3cccs3)c(C(=O)C(F)(F)F)s2)c1OC ZINC000015391364 568761567 /nfs/dbraw/zinc/76/15/67/568761567.db2.gz NUENSNOFHZTLMD-UHFFFAOYSA-N 0 0 442.440 4.886 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000001248155 568774906 /nfs/dbraw/zinc/77/49/06/568774906.db2.gz QENDGFISXRDDAR-UHFFFAOYSA-N 0 0 448.569 4.920 50 0 IJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1 ZINC000263616871 568776971 /nfs/dbraw/zinc/77/69/71/568776971.db2.gz KZMQHGPBWDGQJM-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000004132962 568781212 /nfs/dbraw/zinc/78/12/12/568781212.db2.gz VUQJVEVIOSKOOT-ISQHLFTMSA-N 0 0 448.291 4.729 50 0 IJAARN O=C(c1ccc(Cl)c(Cl)c1)n1ccc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1 ZINC000001392536 568785276 /nfs/dbraw/zinc/78/52/76/568785276.db2.gz XPLIBJZVBCCSEW-UHFFFAOYSA-N 0 0 445.693 4.745 50 0 IJAARN CCOC(=O)c1cnc(SC)nc1Sc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000001399181 568785877 /nfs/dbraw/zinc/78/58/77/568785877.db2.gz LVHUQAOUNGJYFT-UHFFFAOYSA-N 0 0 443.525 4.918 50 0 IJAARN COc1cccc(Sc2nc(S(=O)(=O)Cc3ccc(C)cc3)nc3c2CCCC3)c1 ZINC000001403603 568786747 /nfs/dbraw/zinc/78/67/47/568786747.db2.gz CDVUDFZZNAEQAP-UHFFFAOYSA-N 0 0 440.590 4.798 50 0 IJAARN Clc1cccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)c1 ZINC000002804345 568789519 /nfs/dbraw/zinc/78/95/19/568789519.db2.gz DFIQOVFKEWOMBE-UHFFFAOYSA-N 0 0 442.866 4.956 50 0 IJAARN COc1ccc(C(=O)c2s/c(=N\c3ccccc3)c3nn(-c4ccccc4)cnc2-3)cc1 ZINC000001413111 568789869 /nfs/dbraw/zinc/78/98/69/568789869.db2.gz UBOJBQOMNXOZGG-RFBIWTDZSA-N 0 0 438.512 4.906 50 0 IJAARN COc1ccc([C@H]2OC(=O)N(CCc3ccc(C)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001428121 568794154 /nfs/dbraw/zinc/79/41/54/568794154.db2.gz YNHZDVCUKAUOMS-AOYPEHQESA-N 0 0 433.504 4.594 50 0 IJAARN C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)[C@H](O)c1ccc(Br)cc1 ZINC000084139746 568794636 /nfs/dbraw/zinc/79/46/36/568794636.db2.gz LLFFSSSNTUGMHW-BMIGLBTASA-N 0 0 426.236 4.945 50 0 IJAARN Cn1c2ccccc2c2c(c1=O)[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)O2 ZINC000001432645 568795207 /nfs/dbraw/zinc/79/52/07/568795207.db2.gz OLZFEJLOPCBHDP-FQEVSTJZSA-N 0 0 429.447 4.698 50 0 IJAARN Cc1ccc(-n2cc(C(=O)NC[C@@H](O)c3ccc(OC(F)F)cc3)c(C(C)(C)C)n2)cc1 ZINC000084177498 568795637 /nfs/dbraw/zinc/79/56/37/568795637.db2.gz ZHXNNVYFNKVFKR-HXUWFJFHSA-N 0 0 443.494 4.543 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)Cc2ccc(Br)s2)s1 ZINC000084205046 568796099 /nfs/dbraw/zinc/79/60/99/568796099.db2.gz AQMXVYPIPJRGTA-UHFFFAOYSA-N 0 0 442.400 4.851 50 0 IJAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000084501930 568798190 /nfs/dbraw/zinc/79/81/90/568798190.db2.gz MXHACFRSNRFZPG-IRXDYDNUSA-N 0 0 433.335 4.680 50 0 IJAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(N2CCCC2)cn1 ZINC000084595033 568798926 /nfs/dbraw/zinc/79/89/26/568798926.db2.gz ITOAQOSJQZWYPF-UHFFFAOYSA-N 0 0 426.314 4.615 50 0 IJAARN O=c1c2ccccc2nc(SCC[S@](=O)c2cc(Cl)ccc2Cl)n1C1CC1 ZINC000084587411 568798961 /nfs/dbraw/zinc/79/89/61/568798961.db2.gz PVLIQYJALMMOKM-HHHXNRCGSA-N 0 0 439.389 4.938 50 0 IJAARN FC(F)(F)c1cc(NCCc2nc(-c3ccncc3)cs2)nc(-c2ccccn2)n1 ZINC000084613299 568799215 /nfs/dbraw/zinc/79/92/15/568799215.db2.gz DUQRWJSILKRZND-UHFFFAOYSA-N 0 0 428.443 4.731 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000084647543 568799526 /nfs/dbraw/zinc/79/95/26/568799526.db2.gz VVGAYPFVRLSYDI-OXQOHEQNSA-N 0 0 428.529 4.537 50 0 IJAARN CCOC(=O)c1cc(Cl)cc(Br)c1NC(=O)COc1ccc(C)cc1 ZINC000084798495 568801447 /nfs/dbraw/zinc/80/14/47/568801447.db2.gz WYVXGOHQMDPWKZ-UHFFFAOYSA-N 0 0 426.694 4.605 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(C2CCCC2)C3=O)o1 ZINC000015675821 568804021 /nfs/dbraw/zinc/80/40/21/568804021.db2.gz LJQISQOIYCSVLT-VWLOTQADSA-N 0 0 425.573 4.929 50 0 IJAARN COc1ccc(Br)cc1-c1nc(CSc2nc3cccnc3[nH]2)c(C)o1 ZINC000015679863 568805886 /nfs/dbraw/zinc/80/58/86/568805886.db2.gz PIXAJCSYCVYATJ-UHFFFAOYSA-N 0 0 431.315 4.985 50 0 IJAARN CCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000015680804 568806009 /nfs/dbraw/zinc/80/60/09/568806009.db2.gz YOYOEENWPPWQGL-UHFFFAOYSA-N 0 0 446.572 4.664 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1cccc(CC)c1 ZINC000015680327 568806138 /nfs/dbraw/zinc/80/61/38/568806138.db2.gz HFOIHBDJCQRWPG-UHFFFAOYSA-N 0 0 441.553 4.656 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)cc1 ZINC000015680824 568806251 /nfs/dbraw/zinc/80/62/51/568806251.db2.gz VGDRSXMKOLCHDF-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721458 568811927 /nfs/dbraw/zinc/81/19/27/568811927.db2.gz WRWSOLPGVYRGHU-XMMPIXPASA-N 0 0 442.515 4.898 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C)cc2)cc1OC ZINC000001443362 568813107 /nfs/dbraw/zinc/81/31/07/568813107.db2.gz QSMMWWUBJKPDMB-AREMUKBSSA-N 0 0 447.531 4.817 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733367 568815689 /nfs/dbraw/zinc/81/56/89/568815689.db2.gz BCSHRLYRMIAMKK-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733417 568815875 /nfs/dbraw/zinc/81/58/75/568815875.db2.gz MJBDTYIGRVOAPB-UHFFFAOYSA-N 0 0 443.503 4.886 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(Cc3ccccc3)CC1)[nH]c1c2C(=O)CCC1 ZINC000015733799 568816115 /nfs/dbraw/zinc/81/61/15/568816115.db2.gz JBHADNQSSCSEDA-UHFFFAOYSA-N 0 0 436.577 4.639 50 0 IJAARN Cc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000015770985 568822529 /nfs/dbraw/zinc/82/25/29/568822529.db2.gz ODZYRVMTRAHDNM-UHFFFAOYSA-N 0 0 431.923 4.822 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000015774503 568823291 /nfs/dbraw/zinc/82/32/91/568823291.db2.gz WPURJOZQVSEXOQ-UHFFFAOYSA-N 0 0 440.931 4.662 50 0 IJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000085650199 568830881 /nfs/dbraw/zinc/83/08/81/568830881.db2.gz UEXIYASBTRNKDD-INIZCTEOSA-N 0 0 436.537 4.592 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)[C@H](C)Oc2ccccc2)C2CCCCC2)c1C ZINC000085711408 568835235 /nfs/dbraw/zinc/83/52/35/568835235.db2.gz MCWGTLKMLWAUAU-IBGZPJMESA-N 0 0 426.557 4.937 50 0 IJAARN Cc1ccc2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4C)s3)[nH]c2c1C ZINC000015787069 568836406 /nfs/dbraw/zinc/83/64/06/568836406.db2.gz NRWSGPGXLDJHGI-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc(OC)c(OC)c3)c21 ZINC000085879318 568838929 /nfs/dbraw/zinc/83/89/29/568838929.db2.gz CPQREUWUNGILLT-SFHVURJKSA-N 0 0 434.492 4.625 50 0 biogenic IJAARN COC(=O)c1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3cccc(OC)c32)cc1 ZINC000085880054 568839204 /nfs/dbraw/zinc/83/92/04/568839204.db2.gz NCRPHUOJDGUYES-NRFANRHFSA-N 0 0 442.515 4.802 50 0 biogenic IJAARN O=C1N(Cc2c(F)cccc2Cl)c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000015826641 568840778 /nfs/dbraw/zinc/84/07/78/568840778.db2.gz RXHKKFIBQNETSZ-UHFFFAOYSA-N 0 0 430.888 4.810 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1 ZINC000015829984 568841419 /nfs/dbraw/zinc/84/14/19/568841419.db2.gz MMAMDWGDCOGHQM-QPGLYAHGSA-N 0 0 431.916 4.751 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1 ZINC000015829983 568841435 /nfs/dbraw/zinc/84/14/35/568841435.db2.gz MMAMDWGDCOGHQM-VQFGERMISA-N 0 0 431.916 4.751 50 0 IJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000033814642 568842389 /nfs/dbraw/zinc/84/23/89/568842389.db2.gz SDLLYTRBUXKMAV-GOSISDBHSA-N 0 0 429.636 4.848 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc3[nH]c(Cc4ccc(NC(C)=O)cc4)nc3c2)cc1 ZINC000015863830 568849566 /nfs/dbraw/zinc/84/95/66/568849566.db2.gz ZYVKLRXEXJBAHK-UHFFFAOYSA-N 0 0 426.520 4.605 50 0 IJAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3ccc(C)c(C)c3[nH]2)n1C ZINC000015865318 568850161 /nfs/dbraw/zinc/85/01/61/568850161.db2.gz DOEBHRMIOBLIKX-UHFFFAOYSA-N 0 0 434.565 4.707 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)nc3n2)cc1 ZINC000015868184 568851105 /nfs/dbraw/zinc/85/11/05/568851105.db2.gz VYYNVGWFKFJJQK-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN C[C@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NCc1cccs1 ZINC000015868029 568851474 /nfs/dbraw/zinc/85/14/74/568851474.db2.gz GGXKDZLVSCFCFV-HNNXBMFYSA-N 0 0 445.573 4.803 50 0 IJAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2s1)c1ccccc1 ZINC000015870198 568851576 /nfs/dbraw/zinc/85/15/76/568851576.db2.gz BEWMSJFDGKKEGA-UHFFFAOYSA-N 0 0 445.472 4.628 50 0 IJAARN CCCCn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000334156959 568852454 /nfs/dbraw/zinc/85/24/54/568852454.db2.gz FCIVOXBAMIWHDG-UHFFFAOYSA-O 0 0 442.952 4.793 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c1 ZINC000015881570 568855327 /nfs/dbraw/zinc/85/53/27/568855327.db2.gz RQTHSLIAYQJONP-UHFFFAOYSA-N 0 0 434.496 4.546 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000016047958 568869264 /nfs/dbraw/zinc/86/92/64/568869264.db2.gz FOBZDNLSSJOBDU-UHFFFAOYSA-N 0 0 440.908 4.951 50 0 IJAARN O=S(=O)(c1cccc2nsnc21)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575443586 568869601 /nfs/dbraw/zinc/86/96/01/568869601.db2.gz VUQNZGSLCQOUIT-UHFFFAOYSA-N 0 0 448.533 4.612 50 0 IJAARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000063830250 568869897 /nfs/dbraw/zinc/86/98/97/568869897.db2.gz ORBPKRONDVAVGK-UHFFFAOYSA-N 0 0 447.869 4.514 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2NC1=O ZINC000012946558 568871234 /nfs/dbraw/zinc/87/12/34/568871234.db2.gz RCVVWPHRJXNADH-LLVKDONJSA-N 0 0 447.438 4.730 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012949752 568871864 /nfs/dbraw/zinc/87/18/64/568871864.db2.gz HAHANVJFNLYXLA-UHFFFAOYSA-N 0 0 442.556 4.634 50 0 IJAARN COc1cc(C2SCCS2)ccc1OC(=O)CCc1nc(-c2ccccc2)no1 ZINC000026367790 568877024 /nfs/dbraw/zinc/87/70/24/568877024.db2.gz UKGKUCAMGODIGR-UHFFFAOYSA-N 0 0 428.535 4.762 50 0 IJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000009452016 568883431 /nfs/dbraw/zinc/88/34/31/568883431.db2.gz QXGZLVYSXVCYRR-XCVCLJGOSA-N 0 0 429.391 4.798 50 0 IJAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009599786 568884118 /nfs/dbraw/zinc/88/41/18/568884118.db2.gz HDAGUNNEUYIVRI-UHFFFAOYSA-N 0 0 435.456 4.602 50 0 IJAARN COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)ccc2c1 ZINC000012973726 568889634 /nfs/dbraw/zinc/88/96/34/568889634.db2.gz RGKVWERBDBRGJJ-HNNXBMFYSA-N 0 0 440.927 4.711 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccsc3C(=O)OC)C2=O)cc1 ZINC000102921299 568890542 /nfs/dbraw/zinc/89/05/42/568890542.db2.gz FYPRFEXSMJKGSC-RGEXLXHISA-N 0 0 448.500 4.573 50 0 IJAARN CCOC(=O)c1cc(Cl)c(OCc2ccc(S(=O)(=O)C(F)F)cc2)c(Cl)c1 ZINC000012983004 568894845 /nfs/dbraw/zinc/89/48/45/568894845.db2.gz PBMWPTVYHDYCBT-UHFFFAOYSA-N 0 0 439.263 4.745 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3OC)C2=O)cc1 ZINC000103005143 568900804 /nfs/dbraw/zinc/90/08/04/568900804.db2.gz XTBKYIFBMNJXCC-LTGZKZEYSA-N 0 0 442.471 4.512 50 0 IJAARN O=C(c1csc2c1CCCC2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013020543 568902227 /nfs/dbraw/zinc/90/22/27/568902227.db2.gz PLJTXMQGGARDJH-UHFFFAOYSA-N 0 0 429.545 4.706 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(C)cc1 ZINC000013022896 568902445 /nfs/dbraw/zinc/90/24/45/568902445.db2.gz KSINPZJWVPQLKK-HSZRJFAPSA-N 0 0 430.508 4.845 50 0 IJAARN CCCOC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000001770162 568905976 /nfs/dbraw/zinc/90/59/76/568905976.db2.gz LVRHGICGBYXGDJ-UHFFFAOYSA-N 0 0 433.254 4.680 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1 ZINC000035709822 568907694 /nfs/dbraw/zinc/90/76/94/568907694.db2.gz CQFIKRGWQKAMBR-UHFFFAOYSA-N 0 0 432.446 4.842 50 0 IJAARN CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254813 568913650 /nfs/dbraw/zinc/91/36/50/568913650.db2.gz CFQMZJGTRPLWLR-CWBXHPNXSA-N 0 0 448.950 4.598 50 0 IJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000245311305 568914445 /nfs/dbraw/zinc/91/44/45/568914445.db2.gz MWQRUOLFFTVKCY-YFNKSVMNSA-N 0 0 430.479 4.802 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000016572432 568922310 /nfs/dbraw/zinc/92/23/10/568922310.db2.gz ASSMMRZAVWVPKK-VQIMIIECSA-N 0 0 437.569 4.997 50 0 IJAARN COCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000035794446 568923019 /nfs/dbraw/zinc/92/30/19/568923019.db2.gz QGOSULSUCUIMEL-UHFFFAOYSA-N 0 0 449.338 4.861 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452467 568929282 /nfs/dbraw/zinc/92/92/82/568929282.db2.gz XTKRIIHYKJWPLY-QGZVFWFLSA-N 0 0 440.906 4.594 50 0 IJAARN COc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474145 568930219 /nfs/dbraw/zinc/93/02/19/568930219.db2.gz PLTCOQZXRXMGRR-MRXNPFEDSA-N 0 0 435.524 4.876 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 ZINC000064565922 568932649 /nfs/dbraw/zinc/93/26/49/568932649.db2.gz UQWBWZWWEZQXGY-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN Cc1ccc2nc(C(=O)Nc3ccc(Br)c(C)c3)cc(N3CCOCC3)c2c1 ZINC000064568351 568933749 /nfs/dbraw/zinc/93/37/49/568933749.db2.gz PIHPTSLVGHNTTM-UHFFFAOYSA-N 0 0 440.341 4.703 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cc(C)ccc2C)cc1 ZINC000064656884 568942359 /nfs/dbraw/zinc/94/23/59/568942359.db2.gz CYACDPLUTINLOY-GOSISDBHSA-N 0 0 427.547 4.680 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000064668034 568943079 /nfs/dbraw/zinc/94/30/79/568943079.db2.gz USJAAZFYTKKCEE-HNNXBMFYSA-N 0 0 443.588 4.805 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)o1 ZINC000064668081 568943123 /nfs/dbraw/zinc/94/31/23/568943123.db2.gz SUBPXWGKQGDESU-UHFFFAOYSA-N 0 0 427.551 4.504 50 0 IJAARN Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccc(F)cc1F ZINC000064664459 568943575 /nfs/dbraw/zinc/94/35/75/568943575.db2.gz VHXZSKFLSOVJPW-UHFFFAOYSA-N 0 0 434.269 4.681 50 0 IJAARN Cc1ccc(-c2cn3c(CC(=O)NCc4ccc(Br)cc4)csc3n2)cc1 ZINC000064676164 568944057 /nfs/dbraw/zinc/94/40/57/568944057.db2.gz CHXSUAUCFKCRAU-UHFFFAOYSA-N 0 0 440.366 4.993 50 0 IJAARN Cc1cccc(-c2nc3sc(N(C)CC(=O)NCCC(C)C)nn3c2NC(C)(C)C)c1 ZINC000064703658 568944510 /nfs/dbraw/zinc/94/45/10/568944510.db2.gz OMVFQJUIIDUUTB-UHFFFAOYSA-N 0 0 442.633 4.575 50 0 IJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)N[C@@H](C)CC)nn3c2NC(C)(C)C)cc1 ZINC000064703707 568944533 /nfs/dbraw/zinc/94/45/33/568944533.db2.gz XVTRZKOHWVZDTE-HNNXBMFYSA-N 0 0 442.633 4.582 50 0 IJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(C)cc2C)n1 ZINC000036068396 568945281 /nfs/dbraw/zinc/94/52/81/568945281.db2.gz BWVWNJLZMNOMCR-LJQANCHMSA-N 0 0 449.551 4.751 50 0 IJAARN O=C(NCc1ccco1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068556 568945343 /nfs/dbraw/zinc/94/53/43/568945343.db2.gz YGTKUFFVKAJZGV-UHFFFAOYSA-N 0 0 437.446 4.678 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccncc3)co2)Cc2ccccc2)cc1 ZINC000036072211 568945834 /nfs/dbraw/zinc/94/58/34/568945834.db2.gz VAAQJGWLGCBTFF-UHFFFAOYSA-N 0 0 426.520 4.510 50 0 IJAARN COc1ccc(CN(Cc2nc(C(=O)NC(C)C)co2)[C@H](C)c2ccccc2)c(OC)c1 ZINC000036073323 568945881 /nfs/dbraw/zinc/94/58/81/568945881.db2.gz KPLVRWQKQVMRNN-GOSISDBHSA-N 0 0 437.540 4.593 50 0 IJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072422 568946069 /nfs/dbraw/zinc/94/60/69/568946069.db2.gz VXWZQVOEZUVATJ-HNNXBMFYSA-N 0 0 431.458 4.823 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000036073585 568946544 /nfs/dbraw/zinc/94/65/44/568946544.db2.gz YPEZYIXKEFDQTE-OAQYLSRUSA-N 0 0 433.552 4.527 50 0 IJAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082700 568946829 /nfs/dbraw/zinc/94/68/29/568946829.db2.gz FMJVBYPEYBCGTB-UHFFFAOYSA-N 0 0 429.442 4.788 50 0 IJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccccc2Br)n1 ZINC000064747607 568950134 /nfs/dbraw/zinc/95/01/34/568950134.db2.gz ZTVGQDYFMCEVKF-MRXNPFEDSA-N 0 0 443.301 4.877 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(C)cc4)CC3=O)c2)cc1 ZINC000064754730 568951051 /nfs/dbraw/zinc/95/10/51/568951051.db2.gz ILIJTNABXNCJEO-HXUWFJFHSA-N 0 0 427.504 4.547 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1C ZINC000064754635 568951052 /nfs/dbraw/zinc/95/10/52/568951052.db2.gz NTQRIZWIONRGAP-FQEVSTJZSA-N 0 0 427.504 4.547 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)N3CCN(c4cccc(C)c4C)CC3)C2)cc1 ZINC000064757353 568951583 /nfs/dbraw/zinc/95/15/83/568951583.db2.gz ZTXWFASLQORWCW-HSZRJFAPSA-N 0 0 448.611 4.595 50 0 IJAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)Nc1ccc(F)cc1Cl ZINC000064759237 568951813 /nfs/dbraw/zinc/95/18/13/568951813.db2.gz ATNIUFSVLCZVRL-UHFFFAOYSA-N 0 0 439.878 4.638 50 0 IJAARN COc1ccc(OC[C@H](O)CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)cc1 ZINC000036104204 568952913 /nfs/dbraw/zinc/95/29/13/568952913.db2.gz PCUFMSCBHJLUGQ-OAQYLSRUSA-N 0 0 431.454 4.555 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036117046 568955799 /nfs/dbraw/zinc/95/57/99/568955799.db2.gz GFQUUCMXVAERKF-QHCPKHFHSA-N 0 0 440.609 4.635 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119899 568957293 /nfs/dbraw/zinc/95/72/93/568957293.db2.gz LKYLRVQSDRPQRS-KNQAVFIVSA-N 0 0 442.625 4.844 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(C)C ZINC000036120357 568957542 /nfs/dbraw/zinc/95/75/42/568957542.db2.gz OCBWNMLZLRRCKR-FQEVSTJZSA-N 0 0 446.588 4.675 50 0 IJAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C(C)C ZINC000036121825 568957995 /nfs/dbraw/zinc/95/79/95/568957995.db2.gz GAHLNRMDUILOLG-NRFANRHFSA-N 0 0 442.625 4.702 50 0 IJAARN Cc1cc(Nc2cccc(C(=O)N(C)C3CCCCC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791617 568959040 /nfs/dbraw/zinc/95/90/40/568959040.db2.gz JYLWCAGNXKCKKQ-UHFFFAOYSA-N 0 0 441.539 4.643 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c1 ZINC000064801559 568961534 /nfs/dbraw/zinc/96/15/34/568961534.db2.gz MHFGHCMBNHKOKD-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152366 568963456 /nfs/dbraw/zinc/96/34/56/568963456.db2.gz VQHBRHIAFLNTRN-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815762 568963725 /nfs/dbraw/zinc/96/37/25/568963725.db2.gz WNKTWHZSSCCHBH-RUZDIDTESA-N 0 0 448.592 4.706 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036151346 568963965 /nfs/dbraw/zinc/96/39/65/568963965.db2.gz NBTWXEXXOBCVHT-DEOSSOPVSA-N 0 0 433.508 4.806 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(F)c3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817412 568964497 /nfs/dbraw/zinc/96/44/97/568964497.db2.gz OAYIJBXMVOWZPU-UHFFFAOYSA-N 0 0 426.492 4.540 50 0 IJAARN CC(C)c1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064816257 568965096 /nfs/dbraw/zinc/96/50/96/568965096.db2.gz HRTGMXBQXYIYEA-AREMUKBSSA-N 0 0 446.551 4.744 50 0 IJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000036155789 568966366 /nfs/dbraw/zinc/96/63/66/568966366.db2.gz YFXMSTGYTHUPRD-RUZDIDTESA-N 0 0 445.544 4.676 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1cccc(F)c1 ZINC000036164963 568968253 /nfs/dbraw/zinc/96/82/53/568968253.db2.gz QXRVRBCWZOFADP-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN CN(CCc1noc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1C(F)(F)F ZINC000064841038 568970084 /nfs/dbraw/zinc/97/00/84/568970084.db2.gz XVKZYLFMVQJHSG-UHFFFAOYSA-N 0 0 439.821 4.636 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842396 568970768 /nfs/dbraw/zinc/97/07/68/568970768.db2.gz DDXSCOJJOAGGLX-HXUWFJFHSA-N 0 0 446.507 4.521 50 0 IJAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842413 568970805 /nfs/dbraw/zinc/97/08/05/568970805.db2.gz AOEDGAYDICCCLA-FQEVSTJZSA-N 0 0 446.507 4.575 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000064847954 568971387 /nfs/dbraw/zinc/97/13/87/568971387.db2.gz IZTPXDXZOJHZEY-MRXNPFEDSA-N 0 0 441.503 4.521 50 0 IJAARN CCc1ccccc1S(=O)(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848121 568971573 /nfs/dbraw/zinc/97/15/73/568971573.db2.gz STEHUFKYKQEBMV-UHFFFAOYSA-N 0 0 441.984 4.799 50 0 biogenic IJAARN CCOc1ccc(CCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000064846681 568972070 /nfs/dbraw/zinc/97/20/70/568972070.db2.gz XLZAOAYEGFRLCH-UHFFFAOYSA-N 0 0 443.975 4.732 50 0 IJAARN COc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c(OC)c1 ZINC000064858555 568972147 /nfs/dbraw/zinc/97/21/47/568972147.db2.gz SKLQLVFQNDBAJF-UHFFFAOYSA-N 0 0 431.536 4.668 50 0 biogenic IJAARN COCCN(Cc1c(-c2cccc(C)c2)noc1N1CCCC1)C(=O)c1ccc(F)cc1 ZINC000036208222 568973236 /nfs/dbraw/zinc/97/32/36/568973236.db2.gz DXYKBKNLXBVBDE-UHFFFAOYSA-N 0 0 437.515 4.678 50 0 IJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862166 568973972 /nfs/dbraw/zinc/97/39/72/568973972.db2.gz IFKDQFNMCRNAOR-UHFFFAOYSA-N 0 0 447.988 4.854 50 0 IJAARN CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000064866165 568974235 /nfs/dbraw/zinc/97/42/35/568974235.db2.gz LROMBPCDLBMPQK-UHFFFAOYSA-N 0 0 426.538 4.632 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(OC)ccc2OC)CC3)cc1 ZINC000064868010 568975432 /nfs/dbraw/zinc/97/54/32/568975432.db2.gz SEHBQZDTCLENGT-UHFFFAOYSA-N 0 0 439.537 4.816 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064872869 568978117 /nfs/dbraw/zinc/97/81/17/568978117.db2.gz ALLRBXUWBYIYEL-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-c3ccc(C)cc3)ncn2)CC1 ZINC000064872849 568978132 /nfs/dbraw/zinc/97/81/32/568978132.db2.gz APJPPUSSLUZRKF-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1 ZINC000064873391 568978273 /nfs/dbraw/zinc/97/82/73/568978273.db2.gz WOJOGRMKTBGEGJ-UHFFFAOYSA-N 0 0 443.478 4.765 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888152 568979298 /nfs/dbraw/zinc/97/92/98/568979298.db2.gz FERKXZIFNWFXBP-UHFFFAOYSA-N 0 0 447.604 4.753 50 0 IJAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000064888065 568979368 /nfs/dbraw/zinc/97/93/68/568979368.db2.gz ZABXGNSZPAZFJZ-UHFFFAOYSA-N 0 0 447.894 4.613 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000064888048 568979395 /nfs/dbraw/zinc/97/93/95/568979395.db2.gz CUEZRHYNNDZNCP-UHFFFAOYSA-N 0 0 437.540 4.773 50 0 IJAARN Cc1nc2cc(-c3noc(-c4ccc(Br)o4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890498 568981273 /nfs/dbraw/zinc/98/12/73/568981273.db2.gz DBGAJYIAWVWXEF-UHFFFAOYSA-N 0 0 441.285 4.893 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccc(F)cc1)C(=O)COC ZINC000036246016 568981663 /nfs/dbraw/zinc/98/16/63/568981663.db2.gz MRAFELGMISPUNK-UHFFFAOYSA-N 0 0 425.504 4.502 50 0 IJAARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246560 568981967 /nfs/dbraw/zinc/98/19/67/568981967.db2.gz XTSPRHGYGFHZCS-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248466 568982713 /nfs/dbraw/zinc/98/27/13/568982713.db2.gz BMSZLCKUQDWAPT-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248447 568982717 /nfs/dbraw/zinc/98/27/17/568982717.db2.gz YFXSKIHZDCRTCY-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036249387 568983206 /nfs/dbraw/zinc/98/32/06/568983206.db2.gz YAXLZHWMUUZFFN-GOSISDBHSA-N 0 0 437.515 4.758 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036249365 568983209 /nfs/dbraw/zinc/98/32/09/568983209.db2.gz ICUAZQQFDXCBHI-GOSISDBHSA-N 0 0 437.515 4.758 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036249200 568983224 /nfs/dbraw/zinc/98/32/24/568983224.db2.gz NBZOPYBSSPNTLG-GOSISDBHSA-N 0 0 437.515 4.758 50 0 IJAARN CC1(C(=O)NCc2ccc(F)cc2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000064928057 568986967 /nfs/dbraw/zinc/98/69/67/568986967.db2.gz VOGWMMOYVURLTQ-UHFFFAOYSA-N 0 0 437.437 4.795 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928947 568987259 /nfs/dbraw/zinc/98/72/59/568987259.db2.gz YJIKLLZQESVNLR-LJQANCHMSA-N 0 0 436.556 4.537 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c(C)c1 ZINC000064944083 568993297 /nfs/dbraw/zinc/99/32/97/568993297.db2.gz RMACXGCZRXRMJU-UHFFFAOYSA-N 0 0 427.599 4.814 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)C)C1CC1 ZINC000036302936 568993518 /nfs/dbraw/zinc/99/35/18/568993518.db2.gz PMOUDNLKGDVKJL-HSZRJFAPSA-N 0 0 449.595 4.977 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1-c1nc(-c2ccccc2)no1 ZINC000064948545 568994526 /nfs/dbraw/zinc/99/45/26/568994526.db2.gz LPIQEKJWUKPBQY-UHFFFAOYSA-N 0 0 437.521 4.879 50 0 IJAARN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304842 568994598 /nfs/dbraw/zinc/99/45/98/568994598.db2.gz FQYQMKPIRVBBMK-QHCPKHFHSA-N 0 0 435.568 4.643 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C(=O)C1CCCC1 ZINC000036312789 568997904 /nfs/dbraw/zinc/99/79/04/568997904.db2.gz HMKAFFWXFHJBPT-LJQANCHMSA-N 0 0 425.573 4.886 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccccc2)C(=O)C(C)C)c1 ZINC000036314182 568998955 /nfs/dbraw/zinc/99/89/55/568998955.db2.gz JDIMMMNFLWLZHE-UHFFFAOYSA-N 0 0 433.552 4.671 50 0 IJAARN Cc1ccc(CNC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000064957106 568999440 /nfs/dbraw/zinc/99/94/40/568999440.db2.gz QEMFASQHRUHGTA-UHFFFAOYSA-N 0 0 440.547 4.831 50 0 IJAARN O=C(NCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957100 568999462 /nfs/dbraw/zinc/99/94/62/568999462.db2.gz OKTJDHBWZRRLAQ-UHFFFAOYSA-N 0 0 426.520 4.522 50 0 IJAARN O=S(=O)(NCc1cccn1Cc1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000064959374 568999640 /nfs/dbraw/zinc/99/96/40/568999640.db2.gz NFEDEECEBAZAFN-UHFFFAOYSA-N 0 0 428.863 4.687 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(NCCc2ccc(Cl)cc2)n1 ZINC000064960280 569000223 /nfs/dbraw/zinc/00/02/23/569000223.db2.gz INNXPCIVKJQWIJ-UHFFFAOYSA-N 0 0 440.862 4.909 50 0 IJAARN CCOc1ccc(-c2nnc3sc(NC(=O)c4ccccc4C(F)(F)F)nn32)cc1 ZINC000064980515 569078556 /nfs/dbraw/zinc/07/85/56/569078556.db2.gz XDZXRWMHIAWHAN-UHFFFAOYSA-N 0 0 433.415 4.523 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036341226 569079115 /nfs/dbraw/zinc/07/91/15/569079115.db2.gz SBIOFNVOLKZEDO-RUZDIDTESA-N 0 0 431.511 4.644 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C)CC1 ZINC000036341396 569079281 /nfs/dbraw/zinc/07/92/81/569079281.db2.gz CKLNOCXRVUUCTO-JOCHJYFZSA-N 0 0 425.960 4.758 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN(C)Cc2ccccc2)[C@H](c2cccc(F)c2)C1 ZINC000036344839 569080346 /nfs/dbraw/zinc/08/03/46/569080346.db2.gz ASRHIUIOSQFFIJ-DEOSSOPVSA-N 0 0 431.511 4.644 50 0 IJAARN O=C1Nc2ccccc2Oc2cc(NC3CCCC3)c(S(=O)(=O)N3CCCCC3)cc21 ZINC000064986542 569082191 /nfs/dbraw/zinc/08/21/91/569082191.db2.gz RERKSYGFAPEHMR-UHFFFAOYSA-N 0 0 441.553 4.574 50 0 IJAARN CC(=O)c1c(C)n(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc21 ZINC000064987332 569082464 /nfs/dbraw/zinc/08/24/64/569082464.db2.gz PBAPEDYHYDLLLC-AREMUKBSSA-N 0 0 434.536 4.827 50 0 IJAARN CC[C@@H](NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987078 569082558 /nfs/dbraw/zinc/08/25/58/569082558.db2.gz PKPSLKSAYSCBRN-OAQYLSRUSA-N 0 0 434.536 4.909 50 0 IJAARN CC[C@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987049 569082578 /nfs/dbraw/zinc/08/25/78/569082578.db2.gz KWVKUAIPLSSXNX-NRFANRHFSA-N 0 0 432.520 4.663 50 0 IJAARN CN(C)c1cccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000064989640 569083067 /nfs/dbraw/zinc/08/30/67/569083067.db2.gz CGKBEYASJULRPG-UHFFFAOYSA-N 0 0 433.939 4.539 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@H](C)C3)cc1 ZINC000064990215 569083260 /nfs/dbraw/zinc/08/32/60/569083260.db2.gz WHWVKDMGKQXFNZ-GOSISDBHSA-N 0 0 444.531 4.615 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c(OC)c1 ZINC000064990347 569083263 /nfs/dbraw/zinc/08/32/63/569083263.db2.gz UTENQYNUQYJNCY-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)cc4C)cc32)cc1 ZINC000064990759 569083485 /nfs/dbraw/zinc/08/34/85/569083485.db2.gz ZQEZXNIJQTUYBI-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C(C)C)c2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000006838317 569084985 /nfs/dbraw/zinc/08/49/85/569084985.db2.gz RPCBHKPTTRXDGY-QFIPXVFZSA-N 0 0 426.488 4.541 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 ZINC000036358743 569085230 /nfs/dbraw/zinc/08/52/30/569085230.db2.gz HOEIOCRAQHAPGT-GOSISDBHSA-N 0 0 446.898 4.722 50 0 IJAARN Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCCc1ccccc1 ZINC000064998683 569085364 /nfs/dbraw/zinc/08/53/64/569085364.db2.gz RQIMSIBZPWXVGB-UHFFFAOYSA-N 0 0 437.956 4.634 50 0 IJAARN CN(C(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2)c1cccc(Cl)c1 ZINC000065000659 569086039 /nfs/dbraw/zinc/08/60/39/569086039.db2.gz HQXGUFHAHMEJFX-UHFFFAOYSA-N 0 0 434.923 4.923 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)NCCCc4ccccc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000525 569086057 /nfs/dbraw/zinc/08/60/57/569086057.db2.gz QYRSVQJKKTXETJ-UHFFFAOYSA-N 0 0 442.559 4.664 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)cc2)c1 ZINC000064999536 569086176 /nfs/dbraw/zinc/08/61/76/569086176.db2.gz FQSHSNPHLZCARL-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCN(c2ccccc2)CC1 ZINC000036360031 569086578 /nfs/dbraw/zinc/08/65/78/569086578.db2.gz VLTNXDSJHZFZDL-UHFFFAOYSA-N 0 0 446.425 4.720 50 0 IJAARN C[C@@H](NC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)c1ccccc1 ZINC000065005858 569087251 /nfs/dbraw/zinc/08/72/51/569087251.db2.gz HQLPKRIKJBQEQL-QGZVFWFLSA-N 0 0 431.536 4.825 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCN(c3ccccc3)CC2)cc1 ZINC000036370366 569088567 /nfs/dbraw/zinc/08/85/67/569088567.db2.gz ZDPXIXIIOAHKIE-UHFFFAOYSA-N 0 0 441.506 4.940 50 0 IJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)nc2)c1 ZINC000065023827 569089461 /nfs/dbraw/zinc/08/94/61/569089461.db2.gz ZSFYKYJVGDQUTA-UHFFFAOYSA-N 0 0 434.971 4.681 50 0 IJAARN O=C(NC1CCCC1)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027375 569090270 /nfs/dbraw/zinc/09/02/70/569090270.db2.gz JFMBWXIXQYHGDD-UHFFFAOYSA-N 0 0 439.899 4.832 50 0 IJAARN COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)Cc3ccccc3)cc21 ZINC000065034102 569091878 /nfs/dbraw/zinc/09/18/78/569091878.db2.gz NHEDMPDXYYKNIE-UHFFFAOYSA-N 0 0 444.462 4.774 50 0 IJAARN CCOc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)no2)cc1OCC ZINC000169755214 569093473 /nfs/dbraw/zinc/09/34/73/569093473.db2.gz YZPJOHRHTNZCSO-OAHLLOKOSA-N 0 0 427.888 4.708 50 0 IJAARN CCOc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)cc1OCC ZINC000169755777 569093575 /nfs/dbraw/zinc/09/35/75/569093575.db2.gz RUJKHFALRMPXCP-CQSZACIVSA-N 0 0 445.878 4.847 50 0 IJAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(SC)c2)c1=O ZINC000169756956 569093904 /nfs/dbraw/zinc/09/39/04/569093904.db2.gz ZWVHWJXVUNFPPZ-UHFFFAOYSA-N 0 0 427.957 4.795 50 0 IJAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000169756953 569093934 /nfs/dbraw/zinc/09/39/34/569093934.db2.gz JCQGGHWENYEWEX-UHFFFAOYSA-N 0 0 434.298 4.866 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3cccc(Cl)c3C)nc(N3CCCCCC3)c12 ZINC000065056545 569095243 /nfs/dbraw/zinc/09/52/43/569095243.db2.gz MXJULFKZSLKWBP-UHFFFAOYSA-N 0 0 427.936 4.840 50 0 IJAARN c1sc2nc(-c3ccccn3)nc(Sc3nnnn3C3CC3)c2c1-c1ccccc1 ZINC000036391209 569097150 /nfs/dbraw/zinc/09/71/50/569097150.db2.gz WWSKNMVETLPHSJ-UHFFFAOYSA-N 0 0 429.534 4.893 50 0 IJAARN CC(C)C[C@]1(c2ccccc2)NC(=O)N(CN2CCC[C@H]2c2nc3ccccc3s2)C1=O ZINC000036395090 569098699 /nfs/dbraw/zinc/09/86/99/569098699.db2.gz KLSICHWMMQUAAB-NBGIEHNGSA-N 0 0 448.592 4.884 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCCC3)no2)c(C)c1 ZINC000065076113 569099966 /nfs/dbraw/zinc/09/99/66/569099966.db2.gz KHWNJCAGSZZDDY-UHFFFAOYSA-N 0 0 444.539 4.558 50 0 IJAARN O=C(Cc1csc2nc(-c3cccc(Cl)c3)cn12)Nc1ccc2c(c1)OCCO2 ZINC000065079368 569100842 /nfs/dbraw/zinc/10/08/42/569100842.db2.gz UARNLHSNEHOXEA-UHFFFAOYSA-N 0 0 425.897 4.669 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 ZINC000065081939 569102108 /nfs/dbraw/zinc/10/21/08/569102108.db2.gz UQNFTNDUUYTCPF-RXVVDRJESA-N 0 0 446.522 4.767 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCC1CCCCC1)CO2)c1cccc(Cl)c1 ZINC000065082805 569102512 /nfs/dbraw/zinc/10/25/12/569102512.db2.gz BFXACVOIFMENBT-IBGZPJMESA-N 0 0 426.944 4.840 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)Cn1nc(-c2nc(-c3ccc(C)cc3)no2)c2ccccc21 ZINC000065111265 569106294 /nfs/dbraw/zinc/10/62/94/569106294.db2.gz MVSIITZPTLQRAU-LJQANCHMSA-N 0 0 429.524 4.853 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)c1 ZINC000065111437 569106450 /nfs/dbraw/zinc/10/64/50/569106450.db2.gz RWTFTQSNJWCSNR-UHFFFAOYSA-N 0 0 438.915 4.758 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(CC)c2)c1 ZINC000065116354 569107368 /nfs/dbraw/zinc/10/73/68/569107368.db2.gz ZJBWKOJFAGXEJM-UHFFFAOYSA-N 0 0 427.526 4.534 50 0 IJAARN CCc1csc(-c2csc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000065116826 569107534 /nfs/dbraw/zinc/10/75/34/569107534.db2.gz VKMJCBWDFKQMFB-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)no2)cc1 ZINC000065111916 569107821 /nfs/dbraw/zinc/10/78/21/569107821.db2.gz XSNZZJZKXPCGJN-UHFFFAOYSA-N 0 0 439.581 4.812 50 0 IJAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCc1ccccc1 ZINC000006916097 569108642 /nfs/dbraw/zinc/10/86/42/569108642.db2.gz SHRFIRRKPSXZRQ-UHFFFAOYSA-N 0 0 427.548 4.963 50 0 IJAARN CSc1ccc(CNC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 ZINC000065133144 569109887 /nfs/dbraw/zinc/10/98/87/569109887.db2.gz RADPFEVTPDOCML-UHFFFAOYSA-N 0 0 445.013 4.873 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3C[C@@H](C)C[C@H](C)C3)ncn2)c(Br)c1 ZINC000065133389 569109903 /nfs/dbraw/zinc/10/99/03/569109903.db2.gz MFOSKVSNFPPVEM-GJZGRUSLSA-N 0 0 449.418 4.761 50 0 IJAARN CCOc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065133976 569110027 /nfs/dbraw/zinc/11/00/27/569110027.db2.gz VMEAPYMCYTUILE-UHFFFAOYSA-N 0 0 431.414 4.887 50 0 IJAARN Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134153 569110178 /nfs/dbraw/zinc/11/01/78/569110178.db2.gz ATQSJRNMKRKDAZ-UHFFFAOYSA-N 0 0 449.860 4.862 50 0 IJAARN COc1ccc(Nc2nc(-c3nnn(-c4cc(Cl)ccc4OC)c3C)ns2)cc1 ZINC000065134798 569110882 /nfs/dbraw/zinc/11/08/82/569110882.db2.gz SDUGZTZOZVRQJK-UHFFFAOYSA-N 0 0 428.905 4.508 50 0 IJAARN COc1ccccc1-c1nc([C@@H]2CCCN(C(=O)c3ccccc3Br)C2)no1 ZINC000065149495 569110966 /nfs/dbraw/zinc/11/09/66/569110966.db2.gz JIGAQAOWUOWNKF-CQSZACIVSA-N 0 0 442.313 4.528 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)cc1 ZINC000065179583 569113521 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/nfs/dbraw/zinc/13/82/28/569138228.db2.gz ADOGKEQDVPOOFU-UHFFFAOYSA-N 0 0 433.533 4.871 50 0 IJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(-c3cccc(Br)c3)n2C)c1 ZINC000065494247 569138815 /nfs/dbraw/zinc/13/88/15/569138815.db2.gz IFOSSKQWTOYQKN-AWEZNQCLSA-N 0 0 440.341 4.904 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccccc2[S@](C)=O)c(C)n1CCC1=CCCCC1 ZINC000007311576 569138914 /nfs/dbraw/zinc/13/89/14/569138914.db2.gz YFJCKAFNTAVHNP-SSEXGKCCSA-N 0 0 427.566 4.773 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@H](C)O1 ZINC000065515522 569139061 /nfs/dbraw/zinc/13/90/61/569139061.db2.gz AMWRHPUUTHJYOC-CALCHBBNSA-N 0 0 427.520 4.556 50 0 IJAARN O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccco1)C1CC1 ZINC000037170351 569140405 /nfs/dbraw/zinc/14/04/05/569140405.db2.gz ZRHXHMUFBHZFJX-UHFFFAOYSA-N 0 0 425.131 4.702 50 0 IJAARN C[C@H](NC(=O)CSc1ccc(O)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606013 569143931 /nfs/dbraw/zinc/14/39/31/569143931.db2.gz NANKAUXLIKCBQR-LBPRGKRZSA-N 0 0 432.343 4.514 50 0 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COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3ccn4CCC(C)C)n2)cc1 ZINC000071284637 569150744 /nfs/dbraw/zinc/15/07/44/569150744.db2.gz ILOVCICBPYGNFD-UHFFFAOYSA-N 0 0 444.535 4.558 50 0 IJAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CCS[C@H]1c1ccccc1F ZINC000010025416 569151517 /nfs/dbraw/zinc/15/15/17/569151517.db2.gz ZOFBKNGWVACKPX-SFHVURJKSA-N 0 0 446.598 4.656 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000010220609 569152934 /nfs/dbraw/zinc/15/29/34/569152934.db2.gz MRRGYQCDYHANOT-UHFFFAOYSA-N 0 0 449.985 4.765 50 0 IJAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1 ZINC000013321313 569155008 /nfs/dbraw/zinc/15/50/08/569155008.db2.gz XFFFSYJYUYSYAE-UHFFFAOYSA-N 0 0 442.544 4.897 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](Nc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 ZINC000013577292 569155871 /nfs/dbraw/zinc/15/58/71/569155871.db2.gz WJGXPCBXJOSZGV-NRFANRHFSA-N 0 0 430.533 4.548 50 0 IJAARN O=C(CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2cc[nH]c2c1 ZINC000013576996 569155912 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HRUARUZEFRWEQI-XMMPIXPASA-N 0 0 436.533 4.552 50 0 IJAARN Cc1cccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000089669533 569161170 /nfs/dbraw/zinc/16/11/70/569161170.db2.gz NKWJICQNEPKFCY-UHFFFAOYSA-N 0 0 441.936 4.757 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1NC(C)=O ZINC000089677852 569161281 /nfs/dbraw/zinc/16/12/81/569161281.db2.gz AXAKCUXPQFUIOB-UHFFFAOYSA-N 0 0 426.494 4.555 50 0 IJAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)oc4C)ccn3n2)cc1 ZINC000016840096 569163126 /nfs/dbraw/zinc/16/31/26/569163126.db2.gz PYDBEIPFMUAPBX-UHFFFAOYSA-N 0 0 440.503 4.746 50 0 IJAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)ccn3n2)cc1C ZINC000016842758 569163479 /nfs/dbraw/zinc/16/34/79/569163479.db2.gz KLRWQTMXEKVSMU-UHFFFAOYSA-N 0 0 431.883 4.532 50 0 IJAARN C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCCc1ccccc1 ZINC000016843873 569163666 /nfs/dbraw/zinc/16/36/66/569163666.db2.gz NCIFQIVQGPFNLA-AWEZNQCLSA-N 0 0 431.355 4.944 50 0 IJAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccccc1 ZINC000016849160 569164570 /nfs/dbraw/zinc/16/45/70/569164570.db2.gz MNVPCURTXYTMFG-UHFFFAOYSA-N 0 0 428.945 4.732 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccc(C3SCCCS3)cc2)CC1)c1cccs1 ZINC000089799924 569165007 /nfs/dbraw/zinc/16/50/07/569165007.db2.gz RBMPQSOZNYZAEA-UHFFFAOYSA-N 0 0 432.636 4.651 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891051 569165536 /nfs/dbraw/zinc/16/55/36/569165536.db2.gz MDSPCNBGPIXHTP-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891290 569165682 /nfs/dbraw/zinc/16/56/82/569165682.db2.gz BCFJHHKVTVDGLP-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(COc1ccc2c(c1)occ(Oc1ccccc1F)c2=O)N1CCc2ccccc21 ZINC000089861288 569166249 /nfs/dbraw/zinc/16/62/49/569166249.db2.gz LRNAFSQVKFBYGO-UHFFFAOYSA-N 0 0 431.419 4.693 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000016976784 569168953 /nfs/dbraw/zinc/16/89/53/569168953.db2.gz PFKZFPIDTYUPMA-ISLYRVAYSA-N 0 0 444.512 4.632 50 0 IJAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000016994279 569169840 /nfs/dbraw/zinc/16/98/40/569169840.db2.gz KDWKKFYPMKYMOZ-UHFFFAOYSA-N 0 0 430.595 4.573 50 0 IJAARN Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012050 569170443 /nfs/dbraw/zinc/17/04/43/569170443.db2.gz QPSQIWVQRGSFMN-UHFFFAOYSA-N 0 0 434.502 4.724 50 0 IJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC000017013433 569170573 /nfs/dbraw/zinc/17/05/73/569170573.db2.gz DYNIGQYYHMIMPI-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(Oc3ccc(F)cc3)ncn2)CC1 ZINC000037355781 569170924 /nfs/dbraw/zinc/17/09/24/569170924.db2.gz HXKZRMWYLCBYIW-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN Cc1nc(Sc2ncnc3scc(-c4ccc(C)c(C)c4)c32)sc1CC(N)=O ZINC000170632189 569171242 /nfs/dbraw/zinc/17/12/42/569171242.db2.gz XKXSWXTXSHEEOP-UHFFFAOYSA-N 0 0 426.592 4.919 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccc(F)cc4)[C@H](C)C3)ncn2)ccc1Cl ZINC000037356115 569171622 /nfs/dbraw/zinc/17/16/22/569171622.db2.gz VFBUABJPWSUJMD-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4cccs4)[C@@H](C)C3)ncn2)ccc1Cl ZINC000037356126 569171828 /nfs/dbraw/zinc/17/18/28/569171828.db2.gz JGRVNEKSPTYYLA-HNNXBMFYSA-N 0 0 428.945 4.643 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000017156379 569175147 /nfs/dbraw/zinc/17/51/47/569175147.db2.gz CSPKBEFRGFZLCH-UHFFFAOYSA-N 0 0 447.390 4.981 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(Br)o1 ZINC000017169926 569175384 /nfs/dbraw/zinc/17/53/84/569175384.db2.gz JMGUTLNWGRQAJG-UHFFFAOYSA-N 0 0 431.311 4.949 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000001079753 569176732 /nfs/dbraw/zinc/17/67/32/569176732.db2.gz ZUPPUNGUPGGPPW-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN O=S(=O)(Oc1cccc2cccnc21)c1cc(Br)ccc1Br ZINC000002072012 569176960 /nfs/dbraw/zinc/17/69/60/569176960.db2.gz ILFHUNPWRKSMOX-UHFFFAOYSA-N 0 0 443.116 4.528 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000006237727 569178278 /nfs/dbraw/zinc/17/82/78/569178278.db2.gz DNNRNQCQNCRHHM-DEOSSOPVSA-N 0 0 428.488 4.637 50 0 IJAARN Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000170637903 569178576 /nfs/dbraw/zinc/17/85/76/569178576.db2.gz FCUJXSQZGHMUMR-UHFFFAOYSA-N 0 0 436.364 4.670 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OCc3cc(=O)oc4cc(C)cc(C)c34)cc21 ZINC000002092707 569178787 /nfs/dbraw/zinc/17/87/87/569178787.db2.gz BXFJXLFNBSOBEQ-UHFFFAOYSA-N 0 0 436.460 4.847 50 0 biogenic IJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2oc1=O ZINC000002094605 569179166 /nfs/dbraw/zinc/17/91/66/569179166.db2.gz BORHJIRIUKJFMP-UHFFFAOYSA-N 0 0 444.867 4.558 50 0 biogenic IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000002511875 569180127 /nfs/dbraw/zinc/18/01/27/569180127.db2.gz XUELKORVLQLLAA-SFHVURJKSA-N 0 0 426.538 4.947 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000002104243 569180206 /nfs/dbraw/zinc/18/02/06/569180206.db2.gz ZYGKAYLZIYAUON-UHFFFAOYSA-N 0 0 429.513 4.592 50 0 biogenic IJAARN CCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002117339 569182493 /nfs/dbraw/zinc/18/24/93/569182493.db2.gz RAHCYEDGLHRDEB-UHFFFAOYSA-N 0 0 433.504 4.904 50 0 biogenic IJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OCC)cc1 ZINC000017315117 569184427 /nfs/dbraw/zinc/18/44/27/569184427.db2.gz URMGDTGZQZMOOD-OAHLLOKOSA-N 0 0 436.537 4.858 50 0 IJAARN COc1ccc(-c2cc3ccc(OC(=O)c4c(OC)cccc4OC)cc3oc2=O)cc1 ZINC000002134891 569185256 /nfs/dbraw/zinc/18/52/56/569185256.db2.gz ZCRSAFHLWLGBJH-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)c1 ZINC000000916188 569185411 /nfs/dbraw/zinc/18/54/11/569185411.db2.gz XPZDXYPJUIEZOV-UHFFFAOYSA-N 0 0 444.560 4.945 50 0 IJAARN COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000001439662 569185511 /nfs/dbraw/zinc/18/55/11/569185511.db2.gz OOINDJYQRUMGGA-UHFFFAOYSA-N 0 0 446.532 4.586 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2CC)cc1 ZINC000002264775 569185751 /nfs/dbraw/zinc/18/57/51/569185751.db2.gz CSUJLUUXAYZMHA-UHFFFAOYSA-N 0 0 444.626 4.672 50 0 IJAARN CC(C)C(=O)N(Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2)C1CC1 ZINC000037379182 569189006 /nfs/dbraw/zinc/18/90/06/569189006.db2.gz ZUSXEJCABRXKII-UHFFFAOYSA-N 0 0 446.570 4.717 50 0 IJAARN Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)CC2)s1 ZINC000252518034 569189281 /nfs/dbraw/zinc/18/92/81/569189281.db2.gz XSICOPGTPYACDA-WTGUMLROSA-N 0 0 442.650 4.783 50 0 IJAARN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1cccnc1 ZINC000037397385 569193331 /nfs/dbraw/zinc/19/33/31/569193331.db2.gz QBCMKKFQWDMFST-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN O=C(CCn1c(Cc2ccccc2)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000037397682 569193663 /nfs/dbraw/zinc/19/36/63/569193663.db2.gz QLZKUXZXRPDORV-UHFFFAOYSA-N 0 0 442.538 4.505 50 0 IJAARN C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1c2ccccc2nc1Cc1ccccc1 ZINC000037397858 569193832 /nfs/dbraw/zinc/19/38/32/569193832.db2.gz DBVWGVVEYZYJLH-FQEVSTJZSA-N 0 0 442.538 4.676 50 0 IJAARN CCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426712 569195770 /nfs/dbraw/zinc/19/57/70/569195770.db2.gz DTAGGZDIIQQWHW-UHFFFAOYSA-N 0 0 436.581 4.754 50 0 IJAARN C[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccc(Br)cc1 ZINC000037521933 569198264 /nfs/dbraw/zinc/19/82/64/569198264.db2.gz OLFLIDNZZQLKCH-LLVKDONJSA-N 0 0 442.140 4.633 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000037524200 569198355 /nfs/dbraw/zinc/19/83/55/569198355.db2.gz CWPKPJAOTDMYAG-HXUWFJFHSA-N 0 0 433.596 4.843 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)cc2)C1 ZINC000037526601 569199203 /nfs/dbraw/zinc/19/92/03/569199203.db2.gz QONZXFJKDXOQHW-QGZVFWFLSA-N 0 0 428.529 4.614 50 0 IJAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000037557224 569200677 /nfs/dbraw/zinc/20/06/77/569200677.db2.gz NNXZTKJWIYBFRP-SANMLTNESA-N 0 0 442.559 4.680 50 0 IJAARN CC(C)CCn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559732 569200959 /nfs/dbraw/zinc/20/09/59/569200959.db2.gz WTYRUORRQBEVIB-UHFFFAOYSA-N 0 0 448.542 4.706 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3cccc(F)c3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037570538 569201243 /nfs/dbraw/zinc/20/12/43/569201243.db2.gz PXCNKTOPAADNRY-UHFFFAOYSA-N 0 0 438.568 4.994 50 0 IJAARN Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CCCc1ccccc1 ZINC000002211951 569201495 /nfs/dbraw/zinc/20/14/95/569201495.db2.gz DANZDZXVQLEFFT-UHFFFAOYSA-N 0 0 448.573 4.694 50 0 IJAARN CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCc3ccccc3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602350 569202358 /nfs/dbraw/zinc/20/23/58/569202358.db2.gz YCADFJMGLOAXNO-DCFHFQCYSA-N 0 0 442.559 4.573 50 0 IJAARN CCC(=O)N1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602813 569202561 /nfs/dbraw/zinc/20/25/61/569202561.db2.gz BTYCTHFTDCEDGB-NDEPHWFRSA-N 0 0 442.559 4.574 50 0 IJAARN CCOc1ccc2oc(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)c(C)c2c1 ZINC000007780650 569202607 /nfs/dbraw/zinc/20/26/07/569202607.db2.gz SJVCKVWLLXDOIK-UHFFFAOYSA-N 0 0 425.525 4.629 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037603713 569202655 /nfs/dbraw/zinc/20/26/55/569202655.db2.gz KCUAXXYGIRZEBZ-BJKOFHAPSA-N 0 0 440.559 4.638 50 0 IJAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)/C=C/c1ccccc1 ZINC000037623630 569203283 /nfs/dbraw/zinc/20/32/83/569203283.db2.gz DZQBUADOGQVEIU-ZGKFYVQTSA-N 0 0 434.927 4.673 50 0 IJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)n(Cc4ccccc4)c3nc12 ZINC000002229149 569208327 /nfs/dbraw/zinc/20/83/27/569208327.db2.gz MDHBEZMTKNEANM-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002230314 569210165 /nfs/dbraw/zinc/21/01/65/569210165.db2.gz KCUSVOCPZVULKT-UHFFFAOYSA-N 0 0 428.579 4.761 50 0 IJAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2Cl)CCO1 ZINC000002235466 569212047 /nfs/dbraw/zinc/21/20/47/569212047.db2.gz TYGWRLZAQLXBAN-MEDUHNTESA-N 0 0 442.368 4.800 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCS[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000002693054 569212599 /nfs/dbraw/zinc/21/25/99/569212599.db2.gz FKNHJOKJJMHXNZ-QFIPXVFZSA-N 0 0 429.538 4.841 50 0 IJAARN COc1ccc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 ZINC000027471765 569214009 /nfs/dbraw/zinc/21/40/09/569214009.db2.gz KZEFQQLNCFDQIG-UHFFFAOYSA-N 0 0 442.515 4.727 50 0 IJAARN CSc1nnc(CCCNC(=O)COc2cc(C)ccc2C(C)C)n1C1CCCC1 ZINC000007924198 569217598 /nfs/dbraw/zinc/21/75/98/569217598.db2.gz HPUGXGMBBRUPEF-UHFFFAOYSA-N 0 0 430.618 4.675 50 0 IJAARN COC(=O)c1c2c(sc1N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)CCCC2 ZINC000002274028 569217749 /nfs/dbraw/zinc/21/77/49/569217749.db2.gz GBFDKBILVBSGJC-AWEZNQCLSA-N 0 0 441.808 4.684 50 0 IJAARN COc1ccccc1CNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc21 ZINC000002276758 569217884 /nfs/dbraw/zinc/21/78/84/569217884.db2.gz HAMOMNBGBAHDIR-UHFFFAOYSA-N 0 0 429.524 4.611 50 0 IJAARN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c([C@@H](O)c2ccccc2Cl)cc1OC ZINC000002279917 569218002 /nfs/dbraw/zinc/21/80/02/569218002.db2.gz DGIDEWZNJWPYEF-QFIPXVFZSA-N 0 0 447.940 4.548 50 0 IJAARN CCCCCCn1c(N)c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002281386 569263366 /nfs/dbraw/zinc/26/33/66/569263366.db2.gz GSIPJTOAEGXGMV-UHFFFAOYSA-N 0 0 433.531 4.859 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc2c1OCO2 ZINC000253399666 569264837 /nfs/dbraw/zinc/26/48/37/569264837.db2.gz DEKIJAHTYGAYRE-KRWDZBQOSA-N 0 0 442.423 4.638 50 0 biogenic IJAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002290475 569267935 /nfs/dbraw/zinc/26/79/35/569267935.db2.gz SJONOMIBYXVQNV-UHFFFAOYSA-N 0 0 429.499 4.915 50 0 IJAARN CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc32)cc1 ZINC000002293882 569268134 /nfs/dbraw/zinc/26/81/34/569268134.db2.gz KSTWDHBJHQQWBI-UHFFFAOYSA-N 0 0 439.519 4.621 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000002308459 569272181 /nfs/dbraw/zinc/27/21/81/569272181.db2.gz KHNHWZMUOWMGQP-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN CCOC(=O)[C@](NC(=O)Nc1ccccc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002317217 569272462 /nfs/dbraw/zinc/27/24/62/569272462.db2.gz GZMWBDGSXZAWQK-QGZVFWFLSA-N 0 0 449.351 4.761 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002334050 569274241 /nfs/dbraw/zinc/27/42/41/569274241.db2.gz MCLAELGHWBQMLW-GOSISDBHSA-N 0 0 443.883 4.755 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)NCc1cccs1 ZINC000018190724 569287375 /nfs/dbraw/zinc/28/73/75/569287375.db2.gz VJYYPAAUFUXXES-UHFFFAOYSA-N 0 0 445.260 4.527 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 ZINC000002375402 569289278 /nfs/dbraw/zinc/28/92/78/569289278.db2.gz FYAAOPXRHVSIEQ-UHFFFAOYSA-N 0 0 448.523 4.766 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000008766944 569290526 /nfs/dbraw/zinc/29/05/26/569290526.db2.gz DEUGMTQAEDGVLM-INIZCTEOSA-N 0 0 441.578 4.626 50 0 IJAARN COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002380273 569291633 /nfs/dbraw/zinc/29/16/33/569291633.db2.gz MSIUSDIQEQFPGH-HSZRJFAPSA-N 0 0 439.467 4.633 50 0 IJAARN COc1cc2nc(SCc3c(Cl)cccc3Cl)n3cc(O)nc3c2cc1OC ZINC000008888379 569292081 /nfs/dbraw/zinc/29/20/81/569292081.db2.gz XWCPAZKSNQAQPN-UHFFFAOYSA-N 0 0 436.320 4.534 50 0 IJAARN O=c1/c(=C/c2cccc(Oc3ccccc3)c2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000002384422 569294292 /nfs/dbraw/zinc/29/42/92/569294292.db2.gz BXHLMCJCAZMHOF-MOSHPQCFSA-N 0 0 431.904 4.811 50 0 IJAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002389471 569296254 /nfs/dbraw/zinc/29/62/54/569296254.db2.gz LVDVACQOTBFVQC-KBMIEXCESA-N 0 0 426.291 4.926 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000002404422 569299997 /nfs/dbraw/zinc/29/99/97/569299997.db2.gz XKETUDOVGBFJGT-GOTSBHOMSA-N 0 0 439.519 4.614 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002413146 569301022 /nfs/dbraw/zinc/30/10/22/569301022.db2.gz HBNJIGDHMOXAJO-FQEVSTJZSA-N 0 0 431.517 4.901 50 0 IJAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C[C@@H](c2ccccc2)N3)cc1 ZINC000002419503 569301787 /nfs/dbraw/zinc/30/17/87/569301787.db2.gz RWTJWDGNESMYHL-XZOQPEGZSA-N 0 0 439.519 4.614 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1OC ZINC000002420153 569301796 /nfs/dbraw/zinc/30/17/96/569301796.db2.gz WKQUSGMWGRKZFI-IBGZPJMESA-N 0 0 448.500 4.633 50 0 IJAARN CC(=O)n1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)c(-c2ccccc2)n1 ZINC000002423043 569302280 /nfs/dbraw/zinc/30/22/80/569302280.db2.gz KGOYOVPWZWHDQJ-NVMNQCDNSA-N 0 0 426.259 4.862 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002427435 569302639 /nfs/dbraw/zinc/30/26/39/569302639.db2.gz AWVZZUFXXMSLOG-HXUWFJFHSA-N 0 0 448.500 4.715 50 0 IJAARN COc1ccc(CCNc2ncnc3c2oc2nc(C)c4c(c23)CC(C)(C)OC4)cc1OC ZINC000002445433 569304413 /nfs/dbraw/zinc/30/44/13/569304413.db2.gz SJTGFJSVDJNABJ-UHFFFAOYSA-N 0 0 448.523 4.603 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)nn2)n1 ZINC000013009677 569306633 /nfs/dbraw/zinc/30/66/33/569306633.db2.gz CPCHTRAOWUYPQA-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN O=C(CSc1ccccc1C(=O)OCCOc1ccccc1)Nc1ccc(F)cc1 ZINC000013038420 569307794 /nfs/dbraw/zinc/30/77/94/569307794.db2.gz GPUYWCBOXGJZNQ-UHFFFAOYSA-N 0 0 425.481 4.792 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)o2)cc1 ZINC000013110031 569310420 /nfs/dbraw/zinc/31/04/20/569310420.db2.gz XXNUZZZNMBBGSN-UHFFFAOYSA-N 0 0 442.523 4.601 50 0 IJAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000013117871 569310989 /nfs/dbraw/zinc/31/09/89/569310989.db2.gz LKGLAGDOZNBYTJ-UHFFFAOYSA-N 0 0 448.548 4.621 50 0 IJAARN COc1ccc2c(COC(=O)c3ccccc3OCCOc3ccccc3)cc(=O)oc2c1 ZINC000013145453 569311947 /nfs/dbraw/zinc/31/19/47/569311947.db2.gz BIVFEGSMQGSFPE-UHFFFAOYSA-N 0 0 446.455 4.616 50 0 IJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000013165060 569312481 /nfs/dbraw/zinc/31/24/81/569312481.db2.gz GUPQSAORZYRTIT-UHFFFAOYSA-N 0 0 430.537 4.751 50 0 IJAARN CCN1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000013347074 569313071 /nfs/dbraw/zinc/31/30/71/569313071.db2.gz ZGYHMLZJJYLSKW-UHFFFAOYSA-N 0 0 442.608 4.874 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc32)cc1 ZINC000013355939 569313547 /nfs/dbraw/zinc/31/35/47/569313547.db2.gz UIQQAYDITCSQDC-UHFFFAOYSA-N 0 0 439.512 4.838 50 0 IJAARN CCc1ccc(-c2nc(NC(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)sc2C)cc1 ZINC000013363377 569314135 /nfs/dbraw/zinc/31/41/35/569314135.db2.gz ALSDFFPIESXNLP-UHFFFAOYSA-N 0 0 435.549 4.777 50 0 IJAARN C[C@@H](Sc1nnc(CNc2cc(Cl)ccc2Cl)n1C)C(=O)Nc1ccccc1 ZINC000013423951 569316057 /nfs/dbraw/zinc/31/60/57/569316057.db2.gz QBNYOBFVXFICKV-GFCCVEGCSA-N 0 0 436.368 4.853 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)CSc3ccccc32)c1 ZINC000019295394 569316699 /nfs/dbraw/zinc/31/66/99/569316699.db2.gz AMLGLNQTIIBVHK-UHFFFAOYSA-N 0 0 445.544 4.715 50 0 IJAARN O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000078648461 569316708 /nfs/dbraw/zinc/31/67/08/569316708.db2.gz USYNCXNIDHWLLX-HUUCEWRRSA-N 0 0 438.247 4.536 50 0 IJAARN O=C(c1csc(CCc2ccccc2)n1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000328591887 569317052 /nfs/dbraw/zinc/31/70/52/569317052.db2.gz KQERGLILGVPSAL-UHFFFAOYSA-N 0 0 430.577 4.900 50 0 IJAARN O=C(CCc1ccc(F)cc1)NC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000078742851 569318906 /nfs/dbraw/zinc/31/89/06/569318906.db2.gz ZDRWPLJOTHTQTO-XMMPIXPASA-N 0 0 436.502 4.504 50 0 IJAARN COc1cccc(C(=O)Nc2cc(Br)ccc2NC2CC2)c1OC(F)F ZINC000078968562 569320752 /nfs/dbraw/zinc/32/07/52/569320752.db2.gz DTJPFKNWAUKSRA-UHFFFAOYSA-N 0 0 427.245 4.886 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccc(Br)cc1 ZINC000079045405 569323103 /nfs/dbraw/zinc/32/31/03/569323103.db2.gz SRUAABSURDRTGD-SJLPKXTDSA-N 0 0 436.371 4.588 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000079182867 569327816 /nfs/dbraw/zinc/32/78/16/569327816.db2.gz OPMZTFWDNFPUOG-UHFFFAOYSA-N 0 0 434.845 4.750 50 0 IJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 ZINC000019855239 569330514 /nfs/dbraw/zinc/33/05/14/569330514.db2.gz FECPYROORYOYFG-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000079485633 569330983 /nfs/dbraw/zinc/33/09/83/569330983.db2.gz HIOSRYCEIXYSEN-LJQANCHMSA-N 0 0 445.350 4.784 50 0 IJAARN O=C1N(CCc2ccccc2)c2ccc(Br)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000002463872 569331774 /nfs/dbraw/zinc/33/17/74/569331774.db2.gz SNNDYSAHQYKZHF-XMMPIXPASA-N 0 0 447.332 4.756 50 0 IJAARN C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NC2CCCCCCC2)C[C@H](C)O1 ZINC000020069447 569333300 /nfs/dbraw/zinc/33/33/00/569333300.db2.gz NATWJVOGPCZVPB-ROUUACIJSA-N 0 0 442.629 4.565 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020115770 569334979 /nfs/dbraw/zinc/33/49/79/569334979.db2.gz ZQOYIAJYQUUQNJ-CBGDNZLLSA-N 0 0 446.613 4.860 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCC4)cc1 ZINC000020131053 569335354 /nfs/dbraw/zinc/33/53/54/569335354.db2.gz ADBVWFUZBYGYEI-UHFFFAOYSA-N 0 0 446.572 4.848 50 0 IJAARN CCCC1=Nc2cc(C(=O)NCCCN3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000020178968 569354609 /nfs/dbraw/zinc/35/46/09/569354609.db2.gz ZOYQEARFKTUXIZ-UHFFFAOYSA-N 0 0 437.609 4.833 50 0 IJAARN CCOCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000020180368 569354997 /nfs/dbraw/zinc/35/49/97/569354997.db2.gz XGGOTHLEDUAMPI-ZHZULCJRSA-N 0 0 430.957 4.606 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240652 569357734 /nfs/dbraw/zinc/35/77/34/569357734.db2.gz YGMRDGPKUSXIHX-CXAGYDPISA-N 0 0 429.460 4.581 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000020241575 569358051 /nfs/dbraw/zinc/35/80/51/569358051.db2.gz HYLOKOUUOSCBSN-WENCNXQZSA-N 0 0 442.968 4.746 50 0 IJAARN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000095369586 569362736 /nfs/dbraw/zinc/36/27/36/569362736.db2.gz VXUYZIPBKLWPSO-LBPRGKRZSA-N 0 0 449.363 4.936 50 0 IJAARN C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21)N1CCOCC1 ZINC000080346000 569362753 /nfs/dbraw/zinc/36/27/53/569362753.db2.gz ICRSVUHABOKZRD-MRXNPFEDSA-N 0 0 449.942 4.738 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCc1ccc(C)cc1 ZINC000020384750 569362876 /nfs/dbraw/zinc/36/28/76/569362876.db2.gz ZSYRSZRYBBFSTN-UHFFFAOYSA-N 0 0 446.576 4.739 50 0 IJAARN Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(F)(F)F)n1 ZINC000095390005 569363448 /nfs/dbraw/zinc/36/34/48/569363448.db2.gz QFYGRLZVZLCPPT-FZKQIMNGSA-N 0 0 441.500 4.565 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCN(c2ccc(F)cc2)CC1 ZINC000020404848 569363654 /nfs/dbraw/zinc/36/36/54/569363654.db2.gz XFWSUYKVNAKJTR-UHFFFAOYSA-N 0 0 444.432 4.818 50 0 IJAARN CC[C@H](C(=O)NCCc1ccccc1Cl)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020413591 569364169 /nfs/dbraw/zinc/36/41/69/569364169.db2.gz XFCFIHDCYKRLPO-GOSISDBHSA-N 0 0 439.968 4.883 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccnc(-n2cccn2)c1)C(F)(F)F ZINC000095406412 569364830 /nfs/dbraw/zinc/36/48/30/569364830.db2.gz WYLLYTPIWQNVHJ-HXUWFJFHSA-N 0 0 441.413 4.530 50 0 IJAARN CCc1cccc(NC(=O)Cn2ncc3c(C)n(Cc4cccc(Cl)c4)c(C)c3c2=O)c1 ZINC000020417859 569365066 /nfs/dbraw/zinc/36/50/66/569365066.db2.gz DPEDQHJCKQTQMZ-UHFFFAOYSA-N 0 0 448.954 4.718 50 0 IJAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000095442249 569366791 /nfs/dbraw/zinc/36/67/91/569366791.db2.gz LEMADNIMVZBMMU-OAQYLSRUSA-N 0 0 429.948 4.527 50 0 IJAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O ZINC000095479233 569373634 /nfs/dbraw/zinc/37/36/34/569373634.db2.gz BDUKBWXPNSLOHS-NRFANRHFSA-N 0 0 447.512 4.881 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc(OC)c1O ZINC000095478908 569373708 /nfs/dbraw/zinc/37/37/08/569373708.db2.gz ZGRKTAOMOHUYRX-IBGZPJMESA-N 0 0 431.901 4.673 50 0 IJAARN CC1=C(CC(=O)Nc2cnn(C)c2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000095480661 569373916 /nfs/dbraw/zinc/37/39/16/569373916.db2.gz YMFRMDBTSNRJFK-DPMSRWDOSA-N 0 0 435.524 4.653 50 0 IJAARN O=C1CCC[C@H]1[C@@H](c1ccccc1)N(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000095481838 569374179 /nfs/dbraw/zinc/37/41/79/569374179.db2.gz LXFHVPSHSMKJLP-HYBUGGRVSA-N 0 0 430.529 4.753 50 0 IJAARN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482333 569374307 /nfs/dbraw/zinc/37/43/07/569374307.db2.gz NONNULITZKWIFM-OAHLLOKOSA-N 0 0 444.329 4.508 50 0 IJAARN COc1nc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cc2ccccc21 ZINC000095940103 569375291 /nfs/dbraw/zinc/37/52/91/569375291.db2.gz FPYBOEOYPUDGPL-UHFFFAOYSA-N 0 0 441.325 4.690 50 0 IJAARN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)C2)cc1 ZINC000095942608 569375588 /nfs/dbraw/zinc/37/55/88/569375588.db2.gz HLBZFDUYWIJEEF-JOCHJYFZSA-N 0 0 434.584 4.672 50 0 IJAARN OCC[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Br ZINC000096005733 569379361 /nfs/dbraw/zinc/37/93/61/569379361.db2.gz OEVDHAHYHXXSGZ-HXUWFJFHSA-N 0 0 435.325 4.990 50 0 IJAARN COCCOc1ccccc1C(=O)Nc1c(Br)cc(F)cc1Br ZINC000096006645 569379471 /nfs/dbraw/zinc/37/94/71/569379471.db2.gz XFQCQKGFCGOFMG-UHFFFAOYSA-N 0 0 447.098 4.628 50 0 IJAARN Cc1cc(Br)cc(I)c1NCc1nccn1C(F)F ZINC000096011644 569379857 /nfs/dbraw/zinc/37/98/57/569379857.db2.gz VHHXWVAEHWPXMO-UHFFFAOYSA-N 0 0 442.045 4.566 50 0 IJAARN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccccc1C(F)(F)F ZINC000096024416 569380523 /nfs/dbraw/zinc/38/05/23/569380523.db2.gz OCJOXTIBKFRQFJ-UHFFFAOYSA-N 0 0 436.459 4.635 50 0 IJAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnc6c7cccnc7nn65)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096114347 569382884 /nfs/dbraw/zinc/38/28/84/569382884.db2.gz VDSIEYXGIAUGSQ-ISZYYHFBSA-N 0 0 430.596 4.986 50 0 biogenic IJAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccc(C)cc2C)cc(=O)c1O ZINC000096114472 569382922 /nfs/dbraw/zinc/38/29/22/569382922.db2.gz HKTXDSDAUIOTOP-IBGZPJMESA-N 0 0 440.517 4.655 50 0 biogenic IJAARN COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2ccc(C)cc2C)cc(=O)c1O ZINC000096115993 569383487 /nfs/dbraw/zinc/38/34/87/569383487.db2.gz DFTLUFGTKKRCAJ-IBGZPJMESA-N 0 0 440.517 4.655 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116684 569383749 /nfs/dbraw/zinc/38/37/49/569383749.db2.gz NZFNCZMJHHAUTC-KBXCAEBGSA-N 0 0 449.960 4.713 50 0 IJAARN COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1OC ZINC000096222894 569387315 /nfs/dbraw/zinc/38/73/15/569387315.db2.gz XFDBJXJREGDSKC-SFHVURJKSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN CN1c2cccnc2Sc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2C1=O ZINC000096231186 569387479 /nfs/dbraw/zinc/38/74/79/569387479.db2.gz AHCQVBOURPXDKH-UHFFFAOYSA-N 0 0 431.304 4.777 50 0 IJAARN Cn1c(CNC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)nc2ccccc21 ZINC000096231718 569387594 /nfs/dbraw/zinc/38/75/94/569387594.db2.gz QUGUUEURBRTEQU-INIZCTEOSA-N 0 0 432.351 4.708 50 0 IJAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC)cc1 ZINC000096275352 569388302 /nfs/dbraw/zinc/38/83/02/569388302.db2.gz ATFSYLDDEBQJMK-VWLOTQADSA-N 0 0 442.559 4.983 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1Cl ZINC000096275996 569388397 /nfs/dbraw/zinc/38/83/97/569388397.db2.gz DXTMKSWIAXTIMQ-IBGZPJMESA-N 0 0 447.878 4.833 50 0 IJAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NC[C@@H]1COc2ccccc2O1 ZINC000096289095 569390571 /nfs/dbraw/zinc/39/05/71/569390571.db2.gz DRILBGMTKBIJCD-MJGOQNOKSA-N 0 0 447.922 4.695 50 0 IJAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)[C@H](C)CC ZINC000096289438 569390639 /nfs/dbraw/zinc/39/06/39/569390639.db2.gz VONBQHWHIFJVOG-MRXNPFEDSA-N 0 0 438.977 4.746 50 0 IJAARN O=C(c1cccs1)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000096290649 569391060 /nfs/dbraw/zinc/39/10/60/569391060.db2.gz AEJMWCRQFZFMSI-UHFFFAOYSA-N 0 0 445.537 4.707 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccccc3Cl)C(C)C)n2)cc1OC ZINC000096291911 569391126 /nfs/dbraw/zinc/39/11/26/569391126.db2.gz SQOSKMYOQXQYMW-UHFFFAOYSA-N 0 0 429.904 4.501 50 0 IJAARN Cc1ccc(-n2c(SCc3ccccc3C(=O)NC3CC3)nnc2-c2ccncc2)cc1 ZINC000096292042 569391216 /nfs/dbraw/zinc/39/12/16/569391216.db2.gz ZMAHGQOMHAHWSF-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000096293768 569391665 /nfs/dbraw/zinc/39/16/65/569391665.db2.gz CEFUZLKDSNBGDM-HXUWFJFHSA-N 0 0 446.956 4.654 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000096293769 569391703 /nfs/dbraw/zinc/39/17/03/569391703.db2.gz CEFUZLKDSNBGDM-FQEVSTJZSA-N 0 0 446.956 4.654 50 0 IJAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)s2)on1 ZINC000096323474 569395377 /nfs/dbraw/zinc/39/53/77/569395377.db2.gz NPCNRLTYGFVPOQ-UHFFFAOYSA-N 0 0 427.345 4.892 50 0 IJAARN COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000096344483 569397040 /nfs/dbraw/zinc/39/70/40/569397040.db2.gz DTYGJULLSSENKW-DEOSSOPVSA-N 0 0 434.580 4.910 50 0 IJAARN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccccc4C(F)(F)F)no3)cc2c1 ZINC000096349574 569397276 /nfs/dbraw/zinc/39/72/76/569397276.db2.gz WLWANYVDUXOMDB-UHFFFAOYSA-N 0 0 428.414 4.860 50 0 IJAARN C[C@H](NC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1)c1ccccc1 ZINC000096386326 569398385 /nfs/dbraw/zinc/39/83/85/569398385.db2.gz IHLZKXVSYRBSKU-INIZCTEOSA-N 0 0 426.973 4.614 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000096386808 569398785 /nfs/dbraw/zinc/39/87/85/569398785.db2.gz ABNMYGALNJPEEZ-UHFFFAOYSA-N 0 0 448.523 4.674 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000021861640 569400909 /nfs/dbraw/zinc/40/09/09/569400909.db2.gz FQGKJSCTQJZASV-CIVIXNTOSA-N 0 0 444.579 4.705 50 0 IJAARN COc1cc(/C=C2/C(=O)Nc3ccccc32)c(Br)c(Br)c1OC ZINC000096568937 569401455 /nfs/dbraw/zinc/40/14/55/569401455.db2.gz UQUHZOUOVWGUSN-YRNVUSSQSA-N 0 0 439.103 4.722 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1CC ZINC000096580515 569401717 /nfs/dbraw/zinc/40/17/17/569401717.db2.gz VQCIFKYMMDLEJB-UHFFFAOYSA-N 0 0 429.977 4.857 50 0 IJAARN COc1ccc(-c2cnn(-c3ccc(Cc4ccc(Cl)cc4Cl)nn3)c2N)cc1 ZINC000002508497 569406284 /nfs/dbraw/zinc/40/62/84/569406284.db2.gz BJDKPTMFFLFZNY-UHFFFAOYSA-N 0 0 426.307 4.818 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225730425 569407546 /nfs/dbraw/zinc/40/75/46/569407546.db2.gz WNNGBFUTGXRQIY-LBPRGKRZSA-N 0 0 449.654 4.810 50 0 IJAARN CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C ZINC000028229019 569409350 /nfs/dbraw/zinc/40/93/50/569409350.db2.gz UJNZABMVVLWSAW-UHFFFAOYSA-N 0 0 428.330 4.962 50 0 IJAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(Cl)c1 ZINC000002621783 569411202 /nfs/dbraw/zinc/41/12/02/569411202.db2.gz JTIIARWLXWQSMD-UHFFFAOYSA-N 0 0 427.353 4.647 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000002624131 569411500 /nfs/dbraw/zinc/41/15/00/569411500.db2.gz LGFJEWAWXJSIBF-UHFFFAOYSA-N 0 0 444.535 4.814 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)OCc1nc2ccccc2s1 ZINC000002640438 569413643 /nfs/dbraw/zinc/41/36/43/569413643.db2.gz CZKQIMYIBKIVCF-SFHVURJKSA-N 0 0 447.354 4.557 50 0 IJAARN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002649464 569414513 /nfs/dbraw/zinc/41/45/13/569414513.db2.gz QALPGXROCHFNLH-UHFFFAOYSA-N 0 0 437.352 4.779 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000002651084 569414886 /nfs/dbraw/zinc/41/48/86/569414886.db2.gz LFPMQUDQJFTDON-UHFFFAOYSA-N 0 0 449.359 4.767 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000002652862 569414958 /nfs/dbraw/zinc/41/49/58/569414958.db2.gz LZWRUFLNYRDISR-INIZCTEOSA-N 0 0 442.610 4.910 50 0 IJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1C ZINC000002658062 569415597 /nfs/dbraw/zinc/41/55/97/569415597.db2.gz FYFAAWDVWJNFJO-LLVKDONJSA-N 0 0 427.357 4.637 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)NCc1ccc(Cl)cc1 ZINC000002663930 569416341 /nfs/dbraw/zinc/41/63/41/569416341.db2.gz NEQDELSLJQIBGK-UHFFFAOYSA-N 0 0 427.957 4.574 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000002665221 569416520 /nfs/dbraw/zinc/41/65/20/569416520.db2.gz SLNCIDFVJKUAOX-UHFFFAOYSA-N 0 0 433.489 4.820 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)nc3sccc31)CCCC2 ZINC000002679462 569416680 /nfs/dbraw/zinc/41/66/80/569416680.db2.gz YKWMHAULVLPIBT-UHFFFAOYSA-N 0 0 447.607 4.848 50 0 IJAARN O=C(Nc1nn(Cc2ccccc2)cc1Cl)c1cc(-c2ccc(OC(F)F)cc2)[nH]n1 ZINC000002729266 569418667 /nfs/dbraw/zinc/41/86/67/569418667.db2.gz OPEWXNJLCJEIHM-UHFFFAOYSA-N 0 0 443.841 4.829 50 0 IJAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002795714 569422034 /nfs/dbraw/zinc/42/20/34/569422034.db2.gz IGWBJWXEHNSITC-UHFFFAOYSA-N 0 0 431.467 4.984 50 0 IJAARN O=S(=O)(NC[C@H](Nc1ccc(Br)cc1)c1ccccc1)c1ccccc1 ZINC000002907929 569424617 /nfs/dbraw/zinc/42/46/17/569424617.db2.gz WHURVJOYJYRSLH-FQEVSTJZSA-N 0 0 431.355 4.581 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2)cc1C ZINC000002908908 569424733 /nfs/dbraw/zinc/42/47/33/569424733.db2.gz FRMXDSBWMTYPLC-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCCC2)c(OC)c1 ZINC000002912890 569424934 /nfs/dbraw/zinc/42/49/34/569424934.db2.gz DQRGBDBBNUUXJT-XMMPIXPASA-N 0 0 436.552 4.630 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000002915125 569424986 /nfs/dbraw/zinc/42/49/86/569424986.db2.gz KXNGOFYAYSRYLX-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN COc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)c1OC ZINC000002919495 569425244 /nfs/dbraw/zinc/42/52/44/569425244.db2.gz SHZHDSDHTWCNTP-HUUCEWRRSA-N 0 0 436.846 4.696 50 0 IJAARN Cc1cc(I)ccc1Nc1nc(Cl)nc(NC2CCCCC2)n1 ZINC000002924939 569425493 /nfs/dbraw/zinc/42/54/93/569425493.db2.gz BVGFSZYGEHEHEJ-UHFFFAOYSA-N 0 0 443.720 4.926 50 0 IJAARN COc1ccccc1-n1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O ZINC000002942655 569426839 /nfs/dbraw/zinc/42/68/39/569426839.db2.gz HJIMEDPXPHVDIK-UHFFFAOYSA-N 0 0 439.393 4.665 50 0 IJAARN C[NH+](C)CCN(C(=O)c1c[nH]c2ccccc21)c1nc2ccc(OC(F)(F)F)cc2s1 ZINC000056902259 569427438 /nfs/dbraw/zinc/42/74/38/569427438.db2.gz XMWBPGSCUGYWHU-UHFFFAOYSA-N 0 0 448.470 4.885 50 0 IJAARN O=C(NCc1nc(-c2ccccc2)no1)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907756 569427559 /nfs/dbraw/zinc/42/75/59/569427559.db2.gz VAYHUZCWOIJOHN-UHFFFAOYSA-N 0 0 432.505 4.580 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)CC1 ZINC000056907769 569427571 /nfs/dbraw/zinc/42/75/71/569427571.db2.gz YTLJORIKWRWTKM-UHFFFAOYSA-N 0 0 449.576 4.571 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 ZINC000056945372 569427926 /nfs/dbraw/zinc/42/79/26/569427926.db2.gz NLWXSPAQWDSMOH-XMMPIXPASA-N 0 0 431.580 4.870 50 0 IJAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000002962151 569432759 /nfs/dbraw/zinc/43/27/59/569432759.db2.gz GRCSJOZJBZMRRZ-MRXNPFEDSA-N 0 0 436.558 4.765 50 0 IJAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002963896 569432865 /nfs/dbraw/zinc/43/28/65/569432865.db2.gz XCDDESXMGPMCON-LQDNNDEMSA-N 0 0 444.328 4.898 50 0 IJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccc(C)cc4)n3n2)n1 ZINC000002969264 569433130 /nfs/dbraw/zinc/43/31/30/569433130.db2.gz JKKIZPXLDJCMDM-UHFFFAOYSA-N 0 0 428.565 4.934 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)cc1 ZINC000002969037 569433143 /nfs/dbraw/zinc/43/31/43/569433143.db2.gz KFKIDICCWBGCPS-UHFFFAOYSA-N 0 0 439.544 4.661 50 0 IJAARN O=C(Cc1ccccc1)Nn1c(=O)c2ccccc2nc1SCc1ccccc1Cl ZINC000002971511 569433494 /nfs/dbraw/zinc/43/34/94/569433494.db2.gz ZSJGXSPUCGMLSS-UHFFFAOYSA-N 0 0 435.936 4.655 50 0 IJAARN COc1ccccc1OC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCCC1 ZINC000002980203 569433676 /nfs/dbraw/zinc/43/36/76/569433676.db2.gz QYQOCAFOHSUQSA-OAQYLSRUSA-N 0 0 439.552 4.798 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000057417018 569434267 /nfs/dbraw/zinc/43/42/67/569434267.db2.gz AWGWEMFJGZOULE-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(Cl)cc2)cc1 ZINC000002983123 569434325 /nfs/dbraw/zinc/43/43/25/569434325.db2.gz IVVKWYUZMUFQOR-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN Cc1ccccc1N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427869 569434846 /nfs/dbraw/zinc/43/48/46/569434846.db2.gz BDZIBWLZBWFIMP-UHFFFAOYSA-N 0 0 440.547 4.946 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000003006462 569435154 /nfs/dbraw/zinc/43/51/54/569435154.db2.gz GRZHUMBAUIDAKR-QFIPXVFZSA-N 0 0 439.458 4.801 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1 ZINC000057473499 569435734 /nfs/dbraw/zinc/43/57/34/569435734.db2.gz HXWIUACEGGKPCV-UHFFFAOYSA-N 0 0 449.601 4.764 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000003024220 569436175 /nfs/dbraw/zinc/43/61/75/569436175.db2.gz KFPHHXLSDWSKPT-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1cccc(Cl)c1 ZINC000057486780 569436564 /nfs/dbraw/zinc/43/65/64/569436564.db2.gz UWKPIIKNXOFAFL-UHFFFAOYSA-N 0 0 427.291 4.828 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 ZINC000057487403 569436745 /nfs/dbraw/zinc/43/67/45/569436745.db2.gz SPJKEGHVAHVOMM-INIZCTEOSA-N 0 0 427.595 4.639 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F ZINC000057487517 569436782 /nfs/dbraw/zinc/43/67/82/569436782.db2.gz LUYDKYDWDMDJCA-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000057488091 569436878 /nfs/dbraw/zinc/43/68/78/569436878.db2.gz RVNHOGZPRALBBR-UHFFFAOYSA-N 0 0 441.965 4.856 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000057488112 569436917 /nfs/dbraw/zinc/43/69/17/569436917.db2.gz HEZHPKXRSSKNJU-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1C ZINC000057488788 569437010 /nfs/dbraw/zinc/43/70/10/569437010.db2.gz ROJRNCPIDGXUJH-INIZCTEOSA-N 0 0 445.585 4.778 50 0 IJAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1 ZINC000057488864 569437013 /nfs/dbraw/zinc/43/70/13/569437013.db2.gz PBEBGLJXHJMWEI-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)c(C)c1 ZINC000057492939 569437500 /nfs/dbraw/zinc/43/75/00/569437500.db2.gz KNLPVXKQRPJJTE-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN COc1ccccc1CNC(=O)c1cnn2c1nc(C)c(Cc1cccc(Cl)c1)c2C ZINC000003033477 569437898 /nfs/dbraw/zinc/43/78/98/569437898.db2.gz FKWCBKSPPSVBKF-UHFFFAOYSA-N 0 0 434.927 4.529 50 0 IJAARN Cc1ccc(Cn2c(=O)cc(C(=O)NCc3c(F)cc(F)cc3F)c3ccccc32)cc1 ZINC000003042582 569438501 /nfs/dbraw/zinc/43/85/01/569438501.db2.gz RIVXZNLNZFYBHL-UHFFFAOYSA-N 0 0 436.433 4.706 50 0 IJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2ccc(F)cc2Cl)c3C)cc1 ZINC000003045382 569438622 /nfs/dbraw/zinc/43/86/22/569438622.db2.gz TVAVQWMLQYEGPF-UHFFFAOYSA-N 0 0 436.918 4.968 50 0 IJAARN COC(=O)c1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c1 ZINC000057529698 569439197 /nfs/dbraw/zinc/43/91/97/569439197.db2.gz ORWDVZQMXYAGML-HXUWFJFHSA-N 0 0 443.459 4.602 50 0 IJAARN CCOc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc(Br)c1O ZINC000057815336 569441703 /nfs/dbraw/zinc/44/17/03/569441703.db2.gz DMKNJDQRDUASAL-NTUHNPAUSA-N 0 0 447.354 4.886 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)NC1CCCCCC1 ZINC000003224243 569442076 /nfs/dbraw/zinc/44/20/76/569442076.db2.gz YJYSJLQYSXQQRK-UHFFFAOYSA-N 0 0 443.519 4.595 50 0 IJAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003237359 569442473 /nfs/dbraw/zinc/44/24/73/569442473.db2.gz GGEWFCICTXVZCY-UHFFFAOYSA-N 0 0 431.332 4.515 50 0 IJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003241215 569442600 /nfs/dbraw/zinc/44/26/00/569442600.db2.gz XFAAZEXEVVEFEL-UHFFFAOYSA-N 0 0 425.484 4.911 50 0 IJAARN O=C(COc1c(Br)cc(Br)c2cccnc21)Nc1ccccc1 ZINC000003245278 569442690 /nfs/dbraw/zinc/44/26/90/569442690.db2.gz WUQNNGROWFVXPL-UHFFFAOYSA-N 0 0 436.103 4.777 50 0 IJAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC1CCCCCC1 ZINC000003253247 569442960 /nfs/dbraw/zinc/44/29/60/569442960.db2.gz SWTONKJRNPAIKJ-UHFFFAOYSA-N 0 0 435.446 4.840 50 0 IJAARN CC(C)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000003259849 569443191 /nfs/dbraw/zinc/44/31/91/569443191.db2.gz OKOJAFRHZQOQKJ-UHFFFAOYSA-N 0 0 441.622 4.580 50 0 IJAARN Cc1cccc(N2CCC(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000670434367 569443343 /nfs/dbraw/zinc/44/33/43/569443343.db2.gz XYDXFJSJYUEVJM-UHFFFAOYSA-N 0 0 438.959 4.806 50 0 IJAARN NC(=O)C1CCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)CC1 ZINC000003265717 569443422 /nfs/dbraw/zinc/44/34/22/569443422.db2.gz FDJQEFSCXXURFY-UHFFFAOYSA-N 0 0 435.527 4.906 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003273635 569443645 /nfs/dbraw/zinc/44/36/45/569443645.db2.gz GXAGTNAWUBSBKP-MRXNPFEDSA-N 0 0 445.519 4.595 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000003274439 569443651 /nfs/dbraw/zinc/44/36/51/569443651.db2.gz GZPZLSKKESWCKC-UHFFFAOYSA-N 0 0 426.545 4.611 50 0 IJAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003273373 569443655 /nfs/dbraw/zinc/44/36/55/569443655.db2.gz CULOFPCIWOKFJL-UHFFFAOYSA-N 0 0 439.242 4.925 50 0 IJAARN COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2c(Cl)cncc2Cl)cc1 ZINC000003277589 569443766 /nfs/dbraw/zinc/44/37/66/569443766.db2.gz ABTVGWDWBSGUQL-UHFFFAOYSA-N 0 0 431.275 4.893 50 0 IJAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C2=O ZINC000003280574 569443836 /nfs/dbraw/zinc/44/38/36/569443836.db2.gz UVQLZGFGPPUDBI-GIGQVBGESA-N 0 0 446.762 4.722 50 0 IJAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C2=O ZINC000003280571 569443869 /nfs/dbraw/zinc/44/38/69/569443869.db2.gz UVQLZGFGPPUDBI-DGIBIBHMSA-N 0 0 446.762 4.722 50 0 IJAARN Fc1cc(Br)ccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1 ZINC000003295792 569444631 /nfs/dbraw/zinc/44/46/31/569444631.db2.gz JTTDEZPLRPXDQI-UHFFFAOYSA-N 0 0 446.305 4.570 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc1 ZINC000003299781 569444893 /nfs/dbraw/zinc/44/48/93/569444893.db2.gz RMZPACKUCRJNIV-UHFFFAOYSA-N 0 0 440.565 4.715 50 0 IJAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NCc1cccs1 ZINC000003362794 569447958 /nfs/dbraw/zinc/44/79/58/569447958.db2.gz PRXXNLAEKZEKLS-UHFFFAOYSA-N 0 0 428.029 4.954 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)Cn1nc(Nc2ccccc2F)sc1=S ZINC000003307593 569445294 /nfs/dbraw/zinc/44/52/94/569445294.db2.gz KBSRDKMMZSYXRD-UHFFFAOYSA-N 0 0 437.953 4.738 50 0 IJAARN CCCOc1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1OC ZINC000003323788 569446080 /nfs/dbraw/zinc/44/60/80/569446080.db2.gz HYTRCODHMGOVDP-UHFFFAOYSA-N 0 0 428.510 4.877 50 0 IJAARN COc1cc(OC)c(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000003329294 569446377 /nfs/dbraw/zinc/44/63/77/569446377.db2.gz IZZHYZRUBCTFEM-RUZDIDTESA-N 0 0 445.471 4.975 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2c1 ZINC000003329624 569446390 /nfs/dbraw/zinc/44/63/90/569446390.db2.gz XHUWBVRCJGPZLA-UHFFFAOYSA-N 0 0 434.970 4.804 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2C)no1 ZINC000003332546 569446532 /nfs/dbraw/zinc/44/65/32/569446532.db2.gz HDMMCUASBFQGQY-UHFFFAOYSA-N 0 0 433.537 4.502 50 0 IJAARN COc1ccccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C(=O)Nc1ccccc1 ZINC000003339059 569446790 /nfs/dbraw/zinc/44/67/90/569446790.db2.gz BCXXWPXRDVRADJ-UHFFFAOYSA-N 0 0 432.520 4.520 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 ZINC000003340613 569446879 /nfs/dbraw/zinc/44/68/79/569446879.db2.gz XWZBKKPQVRMWJQ-QFIPXVFZSA-N 0 0 428.517 4.942 50 0 IJAARN COc1cc(OC)c(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000003341988 569446929 /nfs/dbraw/zinc/44/69/29/569446929.db2.gz DWOCOCPJAYRUOQ-UHFFFAOYSA-N 0 0 429.513 4.755 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccncc1 ZINC000003347024 569447135 /nfs/dbraw/zinc/44/71/35/569447135.db2.gz YNFLUCUKPUOIRO-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000003351399 569447395 /nfs/dbraw/zinc/44/73/95/569447395.db2.gz RBFHRTUKBDFBDB-HNNXBMFYSA-N 0 0 426.900 4.598 50 0 IJAARN Cc1ccc(OCc2nc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)n[nH]2)cc1 ZINC000003378030 569448653 /nfs/dbraw/zinc/44/86/53/569448653.db2.gz SUOFSWAWJXBFAI-NSHDSACASA-N 0 0 438.340 4.513 50 0 IJAARN CCN(C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003379679 569448746 /nfs/dbraw/zinc/44/87/46/569448746.db2.gz VZJGJGLIOUKAMH-MRXNPFEDSA-N 0 0 444.004 4.689 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000058148588 569448811 /nfs/dbraw/zinc/44/88/11/569448811.db2.gz CYFMIWYPWMBOQZ-AWEZNQCLSA-N 0 0 447.516 4.633 50 0 IJAARN CCc1cccc(CC)c1-n1c(SCC(=O)NCCC(C)C)nnc1-c1cccnc1 ZINC000003381575 569448877 /nfs/dbraw/zinc/44/88/77/569448877.db2.gz BQCDRHYETSOAAG-UHFFFAOYSA-N 0 0 437.613 4.709 50 0 IJAARN COc1cc(Cl)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1OC ZINC000058155405 569448957 /nfs/dbraw/zinc/44/89/57/569448957.db2.gz WPWLBPJWTCXHJL-CQSZACIVSA-N 0 0 437.323 4.502 50 0 IJAARN COc1ccc2c(CC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)coc2c1 ZINC000003387031 569449044 /nfs/dbraw/zinc/44/90/44/569449044.db2.gz XVJXTBYCTBZZFZ-UHFFFAOYSA-N 0 0 429.498 4.906 50 0 IJAARN Cc1cccc(NC(=O)COC(=O)COc2c(C)cc(Br)cc2Cl)c1C ZINC000003406740 569449955 /nfs/dbraw/zinc/44/99/55/569449955.db2.gz BKCLIGOWCVSTAY-UHFFFAOYSA-N 0 0 440.721 4.588 50 0 IJAARN Brc1ccccc1-c1nnc(COc2ncnc3sc4c(c32)CCCC4)o1 ZINC000003410047 569450028 /nfs/dbraw/zinc/45/00/28/569450028.db2.gz ZNNWCOGOURRDQO-UHFFFAOYSA-N 0 0 443.326 4.962 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)o1 ZINC000003412939 569450151 /nfs/dbraw/zinc/45/01/51/569450151.db2.gz ZNVTWHQQSDXQAF-UHFFFAOYSA-N 0 0 429.885 4.912 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cccc(Cl)c2)cc1 ZINC000003430340 569450788 /nfs/dbraw/zinc/45/07/88/569450788.db2.gz HKBOQXSHPQQWEE-UHFFFAOYSA-N 0 0 442.972 4.701 50 0 IJAARN CC(C)n1c(SCC(=O)NCc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O ZINC000003439350 569451091 /nfs/dbraw/zinc/45/10/91/569451091.db2.gz GWKKFBMNCMGAHU-UHFFFAOYSA-N 0 0 436.364 4.693 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1C ZINC000003479756 569452297 /nfs/dbraw/zinc/45/22/97/569452297.db2.gz PLBVOTNPVXFCBW-UHFFFAOYSA-N 0 0 436.533 4.665 50 0 IJAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000003525746 569453273 /nfs/dbraw/zinc/45/32/73/569453273.db2.gz UNHKCLGBZALDJX-UHFFFAOYSA-N 0 0 445.281 4.877 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C ZINC000003552678 569453820 /nfs/dbraw/zinc/45/38/20/569453820.db2.gz OTNXPTGOFSJYFG-NRFANRHFSA-N 0 0 433.581 4.795 50 0 IJAARN O=C(c1cc(Br)c(Br)s1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000031176475 569454368 /nfs/dbraw/zinc/45/43/68/569454368.db2.gz JIIDGNUJJFHNRB-GFCCVEGCSA-N 0 0 449.139 4.626 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031190616 569454644 /nfs/dbraw/zinc/45/46/44/569454644.db2.gz JFJGNHFEIQJOGN-UHFFFAOYSA-N 0 0 438.980 4.992 50 0 IJAARN COC(=O)c1sc2nc(CNCc3ccccc3)nc(NCc3ccccc3)c2c1C ZINC000058450303 569454920 /nfs/dbraw/zinc/45/49/20/569454920.db2.gz SASVWVKJCFHTRX-UHFFFAOYSA-N 0 0 432.549 4.688 50 0 IJAARN Cc1ccc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000003638938 569455511 /nfs/dbraw/zinc/45/55/11/569455511.db2.gz UEZYBTFBHMCMEP-FNZWTVRRSA-N 0 0 449.620 4.661 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000031506662 569456621 /nfs/dbraw/zinc/45/66/21/569456621.db2.gz MZVISJMXUJOAEU-UHFFFAOYSA-N 0 0 443.906 4.551 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 ZINC000031532573 569456686 /nfs/dbraw/zinc/45/66/86/569456686.db2.gz BUSBECKMTKWOSI-UHFFFAOYSA-N 0 0 426.925 4.690 50 0 IJAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1noc(C(C)(C)C)n1 ZINC000031707654 569457056 /nfs/dbraw/zinc/45/70/56/569457056.db2.gz SZIFGJRCLNVSMC-UHFFFAOYSA-N 0 0 437.363 4.542 50 0 IJAARN O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000031819381 569458047 /nfs/dbraw/zinc/45/80/47/569458047.db2.gz MSGBYIKMKYAMKU-VWLOTQADSA-N 0 0 439.559 4.841 50 0 IJAARN CC(C)c1c(C(=O)Nc2ccc3c(c2)OCCCO3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031836155 569458111 /nfs/dbraw/zinc/45/81/11/569458111.db2.gz RAYFVCLJRPIPJZ-UHFFFAOYSA-N 0 0 446.429 4.823 50 0 IJAARN O=C(CCCCCCCCC(=O)OCC(=O)c1ccccc1)OCC(=O)c1ccccc1 ZINC000004109267 569459122 /nfs/dbraw/zinc/45/91/22/569459122.db2.gz DNYGFEKCOXQXDK-UHFFFAOYSA-N 0 0 438.520 4.959 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(Br)s2)c1[C@@H]1C(=O)Nc2ccccc21 ZINC000032072987 569459297 /nfs/dbraw/zinc/45/92/97/569459297.db2.gz WOTQZKAWTDXARQ-OAHLLOKOSA-N 0 0 431.311 4.685 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)cc2F)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000032087776 569459491 /nfs/dbraw/zinc/45/94/91/569459491.db2.gz JEBIODZDDCTLLF-QGZVFWFLSA-N 0 0 428.847 4.662 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1OC ZINC000032096058 569459869 /nfs/dbraw/zinc/45/98/69/569459869.db2.gz MTSONTSSYFQFAD-INIZCTEOSA-N 0 0 440.887 4.701 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)C(C)C ZINC000004122658 569460023 /nfs/dbraw/zinc/46/00/23/569460023.db2.gz PNTOMGMDRXNANC-UHFFFAOYSA-N 0 0 427.570 4.714 50 0 IJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000004239761 569461160 /nfs/dbraw/zinc/46/11/60/569461160.db2.gz FNBWWEZIAOTVSD-UHFFFAOYSA-N 0 0 426.314 4.827 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000032526172 569462010 /nfs/dbraw/zinc/46/20/10/569462010.db2.gz BHAMDQVMLDMGME-UHFFFAOYSA-N 0 0 435.483 4.918 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000007977640 569462027 /nfs/dbraw/zinc/46/20/27/569462027.db2.gz PHKVNKNPQWWTKK-UHFFFAOYSA-N 0 0 425.598 4.645 50 0 IJAARN COc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1OC ZINC000038487261 569462889 /nfs/dbraw/zinc/46/28/89/569462889.db2.gz VZAIIXRTWZFYKF-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1 ZINC000038487689 569462924 /nfs/dbraw/zinc/46/29/24/569462924.db2.gz POLGOADDLVYPOF-UHFFFAOYSA-N 0 0 447.926 4.702 50 0 IJAARN Cc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)c3ccc(F)cc3)c2)o1 ZINC000067206625 569464664 /nfs/dbraw/zinc/46/46/64/569464664.db2.gz LJSDABZDJRYZQO-UHFFFAOYSA-N 0 0 449.507 4.818 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)c1 ZINC000067216933 569464928 /nfs/dbraw/zinc/46/49/28/569464928.db2.gz FACYXQNXHAXDEI-INIZCTEOSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237314 569465474 /nfs/dbraw/zinc/46/54/74/569465474.db2.gz KNUZUNJPLCAIKJ-UHFFFAOYSA-N 0 0 442.903 4.546 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3c(C)cccc3C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237075 569465490 /nfs/dbraw/zinc/46/54/90/569465490.db2.gz YHYHDAPWGGTDPO-UHFFFAOYSA-N 0 0 432.549 4.678 50 0 IJAARN COc1cc(OC)cc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)c1 ZINC000067245370 569465905 /nfs/dbraw/zinc/46/59/05/569465905.db2.gz IWBRAHALNAXMDZ-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2F)c1 ZINC000067258662 569466159 /nfs/dbraw/zinc/46/61/59/569466159.db2.gz PBFZLMIUODOAKQ-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)c(F)c2)c(OC)c1 ZINC000067258925 569466202 /nfs/dbraw/zinc/46/62/02/569466202.db2.gz CHBIVRLBJLRILE-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3cccc(Cl)c3)ncc2S1(=O)=O ZINC000067260218 569466281 /nfs/dbraw/zinc/46/62/81/569466281.db2.gz AEKUCQLSGYMCQL-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3ccc(F)cc3F)ncc2S1(=O)=O ZINC000067260136 569466325 /nfs/dbraw/zinc/46/63/25/569466325.db2.gz BNXRHOKSQOWZIE-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccccc4Cl)ccn3n2)cc1 ZINC000067260989 569466431 /nfs/dbraw/zinc/46/64/31/569466431.db2.gz AYOGPGVUGOXQON-UHFFFAOYSA-N 0 0 448.954 4.646 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261293 569466521 /nfs/dbraw/zinc/46/65/21/569466521.db2.gz GIVURMYQDNHMLF-UHFFFAOYSA-N 0 0 442.281 4.705 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000040080845 569486631 /nfs/dbraw/zinc/48/66/31/569486631.db2.gz UICAZWJDBOTUSS-SCLBCKFNSA-N 0 0 425.019 4.747 50 0 IJAARN Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1 ZINC000038693435 569466719 /nfs/dbraw/zinc/46/67/19/569466719.db2.gz ORJICBWTZSWWPB-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN Cc1ccccc1N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)CC1 ZINC000067288191 569467438 /nfs/dbraw/zinc/46/74/38/569467438.db2.gz HNYUZNWVCOIRAH-UHFFFAOYSA-N 0 0 432.543 4.635 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nccn3n2)cc1C ZINC000067289949 569467543 /nfs/dbraw/zinc/46/75/43/569467543.db2.gz RAKPHCQJPNFPFB-UHFFFAOYSA-N 0 0 446.532 4.515 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)N[C@@H]4CCc5ccccc54)nccn3n2)cc1C ZINC000067290039 569467569 /nfs/dbraw/zinc/46/75/69/569467569.db2.gz GKBZHJGYERQKLI-OAQYLSRUSA-N 0 0 428.561 4.909 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)cc4)nccn3n2)cc1 ZINC000067290352 569467600 /nfs/dbraw/zinc/46/76/00/569467600.db2.gz DUWYMYQIWYJZMO-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292853 569467772 /nfs/dbraw/zinc/46/77/72/569467772.db2.gz XFALARXOPKSZTL-JUZPYSENSA-N 0 0 428.941 4.949 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067294068 569467873 /nfs/dbraw/zinc/46/78/73/569467873.db2.gz CPZCNPWXAOEQOT-LTHSRMNQSA-N 0 0 426.900 4.544 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)C1(c2ccccc2)CCOCC1 ZINC000038710592 569467886 /nfs/dbraw/zinc/46/78/86/569467886.db2.gz XJFDWLXHPYQTGQ-UHFFFAOYSA-N 0 0 446.572 4.634 50 0 IJAARN COC(=O)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 ZINC000067294923 569467932 /nfs/dbraw/zinc/46/79/32/569467932.db2.gz RTCPKGYIBZBPGX-CLCOLTQESA-N 0 0 439.880 4.814 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000008586913 569469221 /nfs/dbraw/zinc/46/92/21/569469221.db2.gz ZPTLWMLMJRKBBY-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000008645438 569469622 /nfs/dbraw/zinc/46/96/22/569469622.db2.gz CNMLDRZSMUDXNH-SANMLTNESA-N 0 0 429.520 4.677 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)c2ccccn2)cc1OC ZINC000008710697 569470913 /nfs/dbraw/zinc/47/09/13/569470913.db2.gz KMLSRKHNLPZQCQ-GOSISDBHSA-N 0 0 442.519 4.502 50 0 IJAARN CC[C@H](OC(=O)[C@H]1CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)C1)C(=O)c1ccccc1 ZINC000008715705 569471054 /nfs/dbraw/zinc/47/10/54/569471054.db2.gz POLRJXGVHCQEFB-FPOVZHCZSA-N 0 0 448.544 4.676 50 0 IJAARN COc1ccc(-c2csc3ncn([C@H](C)C(=O)Nc4ccccc4Cl)c(=O)c23)cc1 ZINC000008717815 569471163 /nfs/dbraw/zinc/47/11/63/569471163.db2.gz QZXYKTGBEXNFBG-CYBMUJFWSA-N 0 0 439.924 4.987 50 0 IJAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)c(F)c1 ZINC000008718838 569471309 /nfs/dbraw/zinc/47/13/09/569471309.db2.gz JOAONQVSNRJNQX-UHFFFAOYSA-N 0 0 434.467 4.641 50 0 IJAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 ZINC000008722326 569471820 /nfs/dbraw/zinc/47/18/20/569471820.db2.gz XAEPHGUQAHDLDA-SYKLMVBDSA-N 0 0 434.517 4.939 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2)cs1 ZINC000008724369 569472025 /nfs/dbraw/zinc/47/20/25/569472025.db2.gz CMNJVDKVEYZBGY-QGZVFWFLSA-N 0 0 444.603 4.650 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1C1CC1 ZINC000008728375 569472433 /nfs/dbraw/zinc/47/24/33/569472433.db2.gz QDRULSMKNNSEHY-IBGZPJMESA-N 0 0 433.405 4.986 50 0 IJAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1OC ZINC000008751979 569473486 /nfs/dbraw/zinc/47/34/86/569473486.db2.gz AXXZXTQXIOZAKL-UHFFFAOYSA-N 0 0 449.503 4.649 50 0 biogenic IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000008755647 569474041 /nfs/dbraw/zinc/47/40/41/569474041.db2.gz ICJZCWYCSZGVIS-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008758527 569474254 /nfs/dbraw/zinc/47/42/54/569474254.db2.gz PCRBZFFIJQHUFL-SFHVURJKSA-N 0 0 445.494 4.761 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)NCCCc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000008765432 569474742 /nfs/dbraw/zinc/47/47/42/569474742.db2.gz HRLKEHHMNUIKBT-UHFFFAOYSA-N 0 0 449.547 4.505 50 0 biogenic IJAARN CC1(C)Cc2c(sc3c2c(=O)n(C2CCCCC2)c(=O)n3CCc2ccccc2)CO1 ZINC000008769933 569475101 /nfs/dbraw/zinc/47/51/01/569475101.db2.gz ZJUCTKKZABSITM-UHFFFAOYSA-N 0 0 438.593 4.824 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000008778402 569475435 /nfs/dbraw/zinc/47/54/35/569475435.db2.gz YPIYWTSCSAXDJS-HNNXBMFYSA-N 0 0 427.957 4.532 50 0 IJAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000008781762 569475684 /nfs/dbraw/zinc/47/56/84/569475684.db2.gz VFQKJAHXPPOQJS-UHFFFAOYSA-N 0 0 440.546 4.826 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000008781808 569475694 /nfs/dbraw/zinc/47/56/94/569475694.db2.gz WHOFGVNHDJHISZ-NZQKXSOJSA-N 0 0 427.928 4.846 50 0 IJAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)c1cccc(C)c1 ZINC000008781765 569475701 /nfs/dbraw/zinc/47/57/01/569475701.db2.gz JANYRMBCKKKXOH-UHFFFAOYSA-N 0 0 440.546 4.826 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3ccccc3)C[C@H]21 ZINC000008798551 569476393 /nfs/dbraw/zinc/47/63/93/569476393.db2.gz FSVWNQLCSOQJAQ-YKSBVNFPSA-N 0 0 431.879 4.697 50 0 IJAARN COc1cc(C2c3c(=O)oc4ccccc4c3Oc3c4ccccc4oc(=O)c32)ccc1O ZINC000008837827 569478263 /nfs/dbraw/zinc/47/82/63/569478263.db2.gz JKNGDKUDURBWLR-UHFFFAOYSA-N 0 0 440.407 4.900 50 0 IJAARN CN(C)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000008842395 569478384 /nfs/dbraw/zinc/47/83/84/569478384.db2.gz VKKJXQJJQMLQQC-UHFFFAOYSA-N 0 0 426.520 4.829 50 0 IJAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840976 569478395 /nfs/dbraw/zinc/47/83/95/569478395.db2.gz PJXNHNDRZMBTRS-UHFFFAOYSA-N 0 0 430.570 4.602 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000008843527 569478506 /nfs/dbraw/zinc/47/85/06/569478506.db2.gz RHCIPNYFERVAJL-LJQANCHMSA-N 0 0 427.430 4.841 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008843837 569478520 /nfs/dbraw/zinc/47/85/20/569478520.db2.gz BZINTEOERPKUSA-UHFFFAOYSA-N 0 0 443.883 4.975 50 0 biogenic IJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)cc1 ZINC000008845406 569478845 /nfs/dbraw/zinc/47/88/45/569478845.db2.gz PZQARKONZPSMIN-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000008849775 569479305 /nfs/dbraw/zinc/47/93/05/569479305.db2.gz DUYNGYAGKIWHAM-UHFFFAOYSA-N 0 0 434.867 4.642 50 0 IJAARN C[C@@H](NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000008852376 569479441 /nfs/dbraw/zinc/47/94/41/569479441.db2.gz NARNCKUTNUAERG-CQSZACIVSA-N 0 0 445.997 4.947 50 0 IJAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(C(C)=O)cc3)cs2)cc(OC)c1 ZINC000008853729 569479534 /nfs/dbraw/zinc/47/95/34/569479534.db2.gz IBRAMPFUWJLPOO-UHFFFAOYSA-N 0 0 442.562 4.836 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 ZINC000008854081 569479628 /nfs/dbraw/zinc/47/96/28/569479628.db2.gz IMNSJTQOXIJBRN-UHFFFAOYSA-N 0 0 430.526 4.932 50 0 IJAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000008867212 569480261 /nfs/dbraw/zinc/48/02/61/569480261.db2.gz KGBQUYAWWDHRJF-UHFFFAOYSA-N 0 0 439.527 4.555 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2C)cc1OCCC ZINC000008869140 569480456 /nfs/dbraw/zinc/48/04/56/569480456.db2.gz OOPYZZRJWLXSKJ-UHFFFAOYSA-N 0 0 425.485 4.640 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)c1 ZINC000008871393 569480745 /nfs/dbraw/zinc/48/07/45/569480745.db2.gz ZPGLMURYJZCMPI-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 ZINC000008871432 569480829 /nfs/dbraw/zinc/48/08/29/569480829.db2.gz KKWSXFWZDRYNAX-IBGZPJMESA-N 0 0 427.504 4.644 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000008880309 569481415 /nfs/dbraw/zinc/48/14/15/569481415.db2.gz OXCDJFCVFXVGFE-HXUWFJFHSA-N 0 0 445.441 4.855 50 0 IJAARN C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000039589009 569481839 /nfs/dbraw/zinc/48/18/39/569481839.db2.gz CKWISNPYZGZOSI-SECBINFHSA-N 0 0 430.304 4.879 50 0 IJAARN COc1ccc2c(c1)C=C1[C@@H](O)n3nc(-c4ccc(Cl)cc4Cl)nc3S[C@@H]1N2 ZINC000039930145 569482001 /nfs/dbraw/zinc/48/20/01/569482001.db2.gz XPJWSGFWWJFPAQ-ZWKOTPCHSA-N 0 0 433.320 4.692 50 0 IJAARN Nc1c(-c2nnc(Nc3cccc(Br)c3)s2)nnn1-c1ccc(Cl)cc1 ZINC000039932696 569482074 /nfs/dbraw/zinc/48/20/74/569482074.db2.gz IRPPGDLOIFWRRK-UHFFFAOYSA-N 0 0 448.737 4.528 50 0 IJAARN COc1cc(CCC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000039995515 569482420 /nfs/dbraw/zinc/48/24/20/569482420.db2.gz RHAWNBLYJIYNHB-XMMPIXPASA-N 0 0 429.520 4.613 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000040018160 569482610 /nfs/dbraw/zinc/48/26/10/569482610.db2.gz UHKQLUGNULTMOV-KBPBESRZSA-N 0 0 442.976 4.981 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000040018306 569482664 /nfs/dbraw/zinc/48/26/64/569482664.db2.gz UPPJAEXWSLHVNA-IBGZPJMESA-N 0 0 440.565 4.608 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000040033785 569483148 /nfs/dbraw/zinc/48/31/48/569483148.db2.gz RTSLRABLSQCTFT-UHFFFAOYSA-N 0 0 447.535 4.744 50 0 IJAARN C[C@H]1CCCC[C@H]1n1c(SCCCn2c3ccccc3[nH]c2=O)nnc1-c1cccnc1 ZINC000008886955 569483238 /nfs/dbraw/zinc/48/32/38/569483238.db2.gz PZXRPPOSGXMORG-FXAWDEMLSA-N 0 0 448.596 4.917 50 0 IJAARN CC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000040040789 569483492 /nfs/dbraw/zinc/48/34/92/569483492.db2.gz PORJDGMKEIZUBL-QGZVFWFLSA-N 0 0 433.533 4.610 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000040049394 569483851 /nfs/dbraw/zinc/48/38/51/569483851.db2.gz IHJQWLDAQYQKDB-ZDUSSCGKSA-N 0 0 444.534 4.621 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000008900592 569484103 /nfs/dbraw/zinc/48/41/03/569484103.db2.gz WBXWNEHJXLPXKD-UHFFFAOYSA-N 0 0 432.505 4.820 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c(OC)c1 ZINC000008900937 569484306 /nfs/dbraw/zinc/48/43/06/569484306.db2.gz IRYCBFDHJHTLMM-HXUWFJFHSA-N 0 0 439.537 4.600 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000040086571 569486752 /nfs/dbraw/zinc/48/67/52/569486752.db2.gz HAZUVJFVENHJSB-UHFFFAOYSA-N 0 0 442.563 4.767 50 0 IJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008921419 569486791 /nfs/dbraw/zinc/48/67/91/569486791.db2.gz IVTARLNUXIQKSA-HXUWFJFHSA-N 0 0 437.521 4.853 50 0 IJAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)C1=O ZINC000008921914 569486896 /nfs/dbraw/zinc/48/68/96/569486896.db2.gz YPAVEKMZGLMFQN-QHCPKHFHSA-N 0 0 444.369 4.818 50 0 IJAARN O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000008926212 569487265 /nfs/dbraw/zinc/48/72/65/569487265.db2.gz NNCBEIGAASGNDG-AQTBWJFISA-N 0 0 444.288 4.641 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1 ZINC000008927253 569487275 /nfs/dbraw/zinc/48/72/75/569487275.db2.gz VEBJCFHGXKEVIF-UHFFFAOYSA-N 0 0 434.308 4.729 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000008927769 569487316 /nfs/dbraw/zinc/48/73/16/569487316.db2.gz IKDLUCUIQQYIKE-MHZLTWQESA-N 0 0 429.491 4.712 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H]1Cc1ccccc1 ZINC000040099017 569487570 /nfs/dbraw/zinc/48/75/70/569487570.db2.gz KCNYTATXTRFHLN-IBGZPJMESA-N 0 0 433.474 4.781 50 0 IJAARN O=C(Nc1ccccc1SC(F)F)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000040103924 569488094 /nfs/dbraw/zinc/48/80/94/569488094.db2.gz AOSNXNXFPSUJRN-UHFFFAOYSA-N 0 0 431.464 4.737 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccc(F)cc3)n2N)c2ccccc2)c1 ZINC000008938431 569488227 /nfs/dbraw/zinc/48/82/27/569488227.db2.gz BKLKTQLVZIXBLY-OAQYLSRUSA-N 0 0 447.539 4.887 50 0 IJAARN Cc1sc2[nH]c([C@H](C)OC(=O)c3[nH]c4ccccc4c3Br)nc(=O)c2c1C ZINC000040106444 569488406 /nfs/dbraw/zinc/48/84/06/569488406.db2.gz PZAONTJTWNRHCZ-VIFPVBQESA-N 0 0 446.326 4.763 50 0 IJAARN O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1cc(Br)ccc1F ZINC000040106733 569488422 /nfs/dbraw/zinc/48/84/22/569488422.db2.gz FNMMRHCMYHIAGY-UHFFFAOYSA-N 0 0 427.273 4.771 50 0 IJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccccc4C(F)(F)F)C3=O)co2)cc1 ZINC000040116568 569489308 /nfs/dbraw/zinc/48/93/08/569489308.db2.gz ZTZDWSAWRPFNIZ-OAQYLSRUSA-N 0 0 429.398 4.636 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000008951740 569489918 /nfs/dbraw/zinc/48/99/18/569489918.db2.gz DETLOOIULVYZME-IBGZPJMESA-N 0 0 435.501 4.858 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000008959852 569490349 /nfs/dbraw/zinc/49/03/49/569490349.db2.gz XKYIWJIMABBQTQ-UHFFFAOYSA-N 0 0 425.872 4.913 50 0 IJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c12 ZINC000040133416 569490458 /nfs/dbraw/zinc/49/04/58/569490458.db2.gz YVGRYQMXMVNDPO-UHFFFAOYSA-N 0 0 427.936 4.623 50 0 IJAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2C1=O ZINC000008961085 569490892 /nfs/dbraw/zinc/49/08/92/569490892.db2.gz JLDMJQKMKVYPMB-UHFFFAOYSA-N 0 0 428.897 4.664 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2C1=O ZINC000008961104 569490913 /nfs/dbraw/zinc/49/09/13/569490913.db2.gz JPUDNCJWCYRYNZ-UHFFFAOYSA-N 0 0 428.897 4.913 50 0 IJAARN CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000008961240 569490970 /nfs/dbraw/zinc/49/09/70/569490970.db2.gz WMZLAWAEWSAXSJ-UHFFFAOYSA-N 0 0 438.505 4.880 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc1O2 ZINC000008961495 569491083 /nfs/dbraw/zinc/49/10/83/569491083.db2.gz KGWJJUFOBWUYMF-UHFFFAOYSA-N 0 0 426.469 4.626 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 ZINC000040140048 569491507 /nfs/dbraw/zinc/49/15/07/569491507.db2.gz ABMKXZYBTFGBJG-UHFFFAOYSA-N 0 0 429.270 4.832 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1 ZINC000040142835 569491873 /nfs/dbraw/zinc/49/18/73/569491873.db2.gz MIGDILZCNYANGJ-CQSZACIVSA-N 0 0 427.298 4.810 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000008981099 569494360 /nfs/dbraw/zinc/49/43/60/569494360.db2.gz MIFUNIYYIXIYTJ-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN CCc1ccccc1O[C@@H]1C(=O)N(Cc2cccc(NC(C)=O)c2)[C@H]1c1cccc(OC)c1 ZINC000040157775 569494402 /nfs/dbraw/zinc/49/44/02/569494402.db2.gz VYQXULRNMRVOOQ-UIOOFZCWSA-N 0 0 444.531 4.747 50 0 IJAARN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)c2cccs2)CC1 ZINC000008984730 569494785 /nfs/dbraw/zinc/49/47/85/569494785.db2.gz MGZYHRISWBATPG-UHFFFAOYSA-N 0 0 435.332 4.913 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)c(C)c1C ZINC000244998654 569496928 /nfs/dbraw/zinc/49/69/28/569496928.db2.gz KOGVAIQCUMDJRE-NRFANRHFSA-N 0 0 435.636 4.566 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12 ZINC000009034132 569497266 /nfs/dbraw/zinc/49/72/66/569497266.db2.gz PZVPXAHYXGURMS-UHFFFAOYSA-N 0 0 437.492 4.748 50 0 biogenic IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc4cc[nH]c4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288158 569498434 /nfs/dbraw/zinc/49/84/34/569498434.db2.gz FKEIQBHFUIJSNU-RPWUZVMVSA-N 0 0 425.488 4.726 50 0 IJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000009076212 569500314 /nfs/dbraw/zinc/50/03/14/569500314.db2.gz UPKUFCDDUCBUIN-UHFFFAOYSA-N 0 0 433.961 4.993 50 0 IJAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H]1c1cccs1 ZINC000245237328 569500509 /nfs/dbraw/zinc/50/05/09/569500509.db2.gz JROIOXMOKUJDTF-OFVILXPXSA-N 0 0 431.561 4.533 50 0 IJAARN O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(F)cc1 ZINC000009085885 569500575 /nfs/dbraw/zinc/50/05/75/569500575.db2.gz AUUPFLPCPTVVQW-UHFFFAOYSA-N 0 0 426.860 4.809 50 0 IJAARN COc1cccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3[nH]2)c1OC ZINC000009086967 569500716 /nfs/dbraw/zinc/50/07/16/569500716.db2.gz ILOIDGOPALRPSO-JOCHJYFZSA-N 0 0 426.476 4.503 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245240995 569500786 /nfs/dbraw/zinc/50/07/86/569500786.db2.gz WDYKKHJZMBBXJG-AEVIGOTDSA-N 0 0 433.552 4.590 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)cc3C)C(C)C)n2)cc1 ZINC000009095270 569501341 /nfs/dbraw/zinc/50/13/41/569501341.db2.gz FXWJPYJXJYSEIL-UHFFFAOYSA-N 0 0 429.904 4.523 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c(OC)c1 ZINC000009100555 569501551 /nfs/dbraw/zinc/50/15/51/569501551.db2.gz HLBFGSANUHGMNM-UHFFFAOYSA-N 0 0 443.503 4.780 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(C)o2)cc1OC ZINC000245276766 569501988 /nfs/dbraw/zinc/50/19/88/569501988.db2.gz VVGRSXFEMJPZSW-HDMKZQKVSA-N 0 0 432.586 4.841 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000009115677 569502812 /nfs/dbraw/zinc/50/28/12/569502812.db2.gz WSOJWGQAOQWOQO-NDEPHWFRSA-N 0 0 433.982 4.935 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)CC1 ZINC000009116120 569502917 /nfs/dbraw/zinc/50/29/17/569502917.db2.gz VTYAPVOUYMKNOR-UHFFFAOYSA-N 0 0 447.579 4.668 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009119074 569503425 /nfs/dbraw/zinc/50/34/25/569503425.db2.gz XEIBXGQBLKUIPX-UHFFFAOYSA-N 0 0 442.556 4.682 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000069375173 569503427 /nfs/dbraw/zinc/50/34/27/569503427.db2.gz VYGDZEFEWCPZMQ-QFIPXVFZSA-N 0 0 448.573 4.712 50 0 IJAARN CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 ZINC000009119676 569503576 /nfs/dbraw/zinc/50/35/76/569503576.db2.gz ALYHZABOSPKQTC-UHFFFAOYSA-N 0 0 428.521 4.897 50 0 IJAARN O=C(COc1ncnc2sccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009120626 569504002 /nfs/dbraw/zinc/50/40/02/569504002.db2.gz LFWCGJQPUHEMCT-KRWDZBQOSA-N 0 0 438.896 4.694 50 0 IJAARN Cc1ccc2c(CC(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)coc2c1 ZINC000009125196 569504600 /nfs/dbraw/zinc/50/46/00/569504600.db2.gz BIVRJPWAJNVRNU-NRFANRHFSA-N 0 0 434.536 4.547 50 0 IJAARN CCn1cc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 ZINC000009125787 569504716 /nfs/dbraw/zinc/50/47/16/569504716.db2.gz JSZCTAXJGAHDBM-CQSZACIVSA-N 0 0 440.956 4.516 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)nc2c1 ZINC000009126689 569504959 /nfs/dbraw/zinc/50/49/59/569504959.db2.gz DFSABOQAEMNXHR-QGZVFWFLSA-N 0 0 438.534 4.696 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000009127951 569505310 /nfs/dbraw/zinc/50/53/10/569505310.db2.gz REQDWXWWNPCXEU-CYBMUJFWSA-N 0 0 444.281 4.890 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCCN3CCCCCC3=O)cc12 ZINC000009127959 569505337 /nfs/dbraw/zinc/50/53/37/569505337.db2.gz WBPNQTNZAZSXDT-UHFFFAOYSA-N 0 0 444.988 4.571 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000009128388 569505373 /nfs/dbraw/zinc/50/53/73/569505373.db2.gz JFNIHNLDLXCJGW-UHFFFAOYSA-N 0 0 445.894 4.967 50 0 IJAARN CCCCc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000009128595 569505409 /nfs/dbraw/zinc/50/54/09/569505409.db2.gz AJDCOUVEWQHILO-DEOSSOPVSA-N 0 0 447.579 4.917 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nn(-c2cccc(Cl)c2)ccc1=O ZINC000009130101 569505928 /nfs/dbraw/zinc/50/59/28/569505928.db2.gz SFHFJGVLEQCDHH-UHFFFAOYSA-N 0 0 428.197 4.810 50 0 IJAARN O=C1N(Cc2cccs2)c2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000009130354 569505995 /nfs/dbraw/zinc/50/59/95/569505995.db2.gz GJJNFYXYNBLKSW-NRFANRHFSA-N 0 0 439.334 4.775 50 0 IJAARN Clc1cc(Cl)cc(-c2nnc3ccc(N4CCO[C@@H](c5ccccc5)C4)nn32)c1 ZINC000069441311 569506579 /nfs/dbraw/zinc/50/65/79/569506579.db2.gz CZKPHFQUXPPKMD-GOSISDBHSA-N 0 0 426.307 4.676 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1OC ZINC000009135399 569507106 /nfs/dbraw/zinc/50/71/06/569507106.db2.gz HGAWWQVKNDBVKZ-UHFFFAOYSA-N 0 0 432.476 4.576 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCc3ccccc32)cc1OC ZINC000009139681 569507189 /nfs/dbraw/zinc/50/71/89/569507189.db2.gz BHCKDRKRWIMQIJ-NRFANRHFSA-N 0 0 447.560 4.506 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000009151495 569507536 /nfs/dbraw/zinc/50/75/36/569507536.db2.gz ARNIYGRPDBAKLJ-INIZCTEOSA-N 0 0 435.911 4.625 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000009170738 569509327 /nfs/dbraw/zinc/50/93/27/569509327.db2.gz ZHGQOXXUNLCZGY-HXUWFJFHSA-N 0 0 430.957 4.978 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)NC1CCCCCC1 ZINC000009176576 569509693 /nfs/dbraw/zinc/50/96/93/569509693.db2.gz FWOWGYIGEXZQMR-UHFFFAOYSA-N 0 0 441.984 4.970 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccccc3Br)C(C)C)n2)cc1 ZINC000009194052 569510911 /nfs/dbraw/zinc/51/09/11/569510911.db2.gz QKYZJKHDHGBLLS-UHFFFAOYSA-N 0 0 430.302 4.559 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009196925 569510983 /nfs/dbraw/zinc/51/09/83/569510983.db2.gz ZAHFGISURUBCRB-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009197902 569511038 /nfs/dbraw/zinc/51/10/38/569511038.db2.gz QNHAJNSSNDNKCK-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN O=C(CCC1CCCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009203455 569511285 /nfs/dbraw/zinc/51/12/85/569511285.db2.gz ZONSUQIWYWTFEY-UHFFFAOYSA-N 0 0 444.553 4.558 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000009207906 569511443 /nfs/dbraw/zinc/51/14/43/569511443.db2.gz TYVXBQSIUAZVLC-JPYJTQIMSA-N 0 0 436.943 4.639 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCS[C@@H]1c1ccccc1F ZINC000009207517 569511454 /nfs/dbraw/zinc/51/14/54/569511454.db2.gz SCLYTNGKLCQCPN-OAQYLSRUSA-N 0 0 440.569 4.650 50 0 IJAARN FC(F)(F)c1ccnc(N2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655367 569511697 /nfs/dbraw/zinc/51/16/97/569511697.db2.gz JTEPYOOSISCRLV-CQSZACIVSA-N 0 0 435.837 4.973 50 0 IJAARN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000009211745 569511847 /nfs/dbraw/zinc/51/18/47/569511847.db2.gz PKHJGWVLQRVEIN-QGZVFWFLSA-N 0 0 449.503 4.919 50 0 biogenic IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000009223355 569512953 /nfs/dbraw/zinc/51/29/53/569512953.db2.gz YXWISSASYUJKGM-UHFFFAOYSA-N 0 0 439.562 4.967 50 0 IJAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000009224109 569513105 /nfs/dbraw/zinc/51/31/05/569513105.db2.gz OCVDJIDZODWGAH-UHFFFAOYSA-N 0 0 429.867 4.592 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 ZINC000009236919 569514188 /nfs/dbraw/zinc/51/41/88/569514188.db2.gz RZBSGOXCJDMENS-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238271 569514259 /nfs/dbraw/zinc/51/42/59/569514259.db2.gz FNRGXWFEFJSGLT-LEWJYISDSA-N 0 0 427.533 4.651 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238263 569514273 /nfs/dbraw/zinc/51/42/73/569514273.db2.gz UKKPKDMXECBKFZ-WOJBJXKFSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238362 569514325 /nfs/dbraw/zinc/51/43/25/569514325.db2.gz SFHQPJYHHRWPAC-RTWAWAEBSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239391 569514502 /nfs/dbraw/zinc/51/45/02/569514502.db2.gz TVPPDUKNPGOEPE-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)N[C@H]1CCCc2ccccc21 ZINC000009245621 569515393 /nfs/dbraw/zinc/51/53/93/569515393.db2.gz PYPLXMKWPVBEEE-QYYYHEGRSA-N 0 0 445.650 4.726 50 0 IJAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 ZINC000009249843 569515480 /nfs/dbraw/zinc/51/54/80/569515480.db2.gz IBWOQBYKICNSAR-IBGZPJMESA-N 0 0 449.576 4.642 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c1 ZINC000009250099 569515635 /nfs/dbraw/zinc/51/56/35/569515635.db2.gz SXYTWOQVKDRDLO-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(N(CC)CC)cc1C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000009251484 569515918 /nfs/dbraw/zinc/51/59/18/569515918.db2.gz ISGRGIAGPZDNDE-JOCHJYFZSA-N 0 0 445.567 4.702 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)c1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009257073 569516829 /nfs/dbraw/zinc/51/68/29/569516829.db2.gz XKUXXKRLKDTODM-UHFFFAOYSA-N 0 0 437.805 4.628 50 0 IJAARN CCC(CC)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000009283341 569518862 /nfs/dbraw/zinc/51/88/62/569518862.db2.gz YFPVCFHVEXRGEP-UHFFFAOYSA-N 0 0 433.643 4.849 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)[C@@H]1C ZINC000009284554 569519057 /nfs/dbraw/zinc/51/90/57/569519057.db2.gz WTLMTPUQLRATSR-JXXFODFXSA-N 0 0 439.556 4.558 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)NCc2ccc(C)cc2)n1-c1ccccc1 ZINC000009284452 569519078 /nfs/dbraw/zinc/51/90/78/569519078.db2.gz YNKUNMREKUUNLF-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN Cc1cc(I)ccc1NC(=O)Cc1ccc(Br)cc1 ZINC000009562255 569547254 /nfs/dbraw/zinc/54/72/54/569547254.db2.gz WDNWCTOKMBZPOL-UHFFFAOYSA-N 0 0 430.083 4.543 50 0 IJAARN CCOc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000009289488 569519596 /nfs/dbraw/zinc/51/95/96/569519596.db2.gz MTEULMCOCHXJFK-LJQANCHMSA-N 0 0 435.549 4.586 50 0 IJAARN Cc1nn(CCCC(=O)N[C@H](C)CCc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000009289649 569519609 /nfs/dbraw/zinc/51/96/09/569519609.db2.gz ABZYPQBZXWPFJK-QGZVFWFLSA-N 0 0 433.577 4.837 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)c1 ZINC000009291288 569519799 /nfs/dbraw/zinc/51/97/99/569519799.db2.gz XRWVUYYXROSLQW-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009292015 569519926 /nfs/dbraw/zinc/51/99/26/569519926.db2.gz VOJIKKIHFNFQCI-GOTSBHOMSA-N 0 0 427.895 4.848 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@H](c3ccccc3Cl)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293537 569520215 /nfs/dbraw/zinc/52/02/15/569520215.db2.gz WWWIHJDDUKIGCL-GOTSBHOMSA-N 0 0 427.895 4.848 50 0 IJAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000009315025 569522033 /nfs/dbraw/zinc/52/20/33/569522033.db2.gz ATVVESMGWVWCST-UHFFFAOYSA-N 0 0 433.533 4.605 50 0 IJAARN COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)n(C)c3ccccc3c2=O)cc1OC ZINC000009327827 569522744 /nfs/dbraw/zinc/52/27/44/569522744.db2.gz WVZPCTCHJNLKEI-UHFFFAOYSA-N 0 0 428.488 4.783 50 0 IJAARN Cc1ccccc1-n1c2nnc(S)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000009339700 569523788 /nfs/dbraw/zinc/52/37/88/569523788.db2.gz LYDHZJRDJVHOIQ-UHFFFAOYSA-N 0 0 428.561 4.902 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)c(OC)c1 ZINC000009345173 569524048 /nfs/dbraw/zinc/52/40/48/569524048.db2.gz CYKXNCPBWSKQBA-PKTZIBPZSA-N 0 0 444.516 4.570 50 0 IJAARN O=C(c1cccc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)c1)N1CCCCC1 ZINC000069930356 569524195 /nfs/dbraw/zinc/52/41/95/569524195.db2.gz WEQUZJJAFRCWOY-UHFFFAOYSA-N 0 0 442.972 4.956 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nc(-c3ccccc3)cs1)CC2 ZINC000009348416 569524453 /nfs/dbraw/zinc/52/44/53/569524453.db2.gz VQMMTLHZDUZQTP-UHFFFAOYSA-N 0 0 426.563 4.504 50 0 IJAARN COCCn1c(SCC(=O)c2ccc3ccccc3c2)nc2cc(Cl)ccc2c1=O ZINC000009354029 569525007 /nfs/dbraw/zinc/52/50/07/569525007.db2.gz LJFDDEVXZFBZAD-UHFFFAOYSA-N 0 0 438.936 4.825 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000009354511 569525065 /nfs/dbraw/zinc/52/50/65/569525065.db2.gz VWMFGBUZZPHKLD-UHFFFAOYSA-N 0 0 443.594 4.710 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)c1 ZINC000009364405 569525981 /nfs/dbraw/zinc/52/59/81/569525981.db2.gz KICFTORQAQJQOH-UHFFFAOYSA-N 0 0 434.546 4.983 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1C ZINC000009364781 569526065 /nfs/dbraw/zinc/52/60/65/569526065.db2.gz LTYBKJQOLIFZAL-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000009365357 569526139 /nfs/dbraw/zinc/52/61/39/569526139.db2.gz MXIINYUTQMCHKK-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN CC(C)C(=O)Nc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000009365927 569526198 /nfs/dbraw/zinc/52/61/98/569526198.db2.gz RHXQJMBKKQGPKM-UHFFFAOYSA-N 0 0 438.884 4.536 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000009368699 569526663 /nfs/dbraw/zinc/52/66/63/569526663.db2.gz MVJWMQBCUUJEAZ-UHFFFAOYSA-N 0 0 444.560 4.910 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1OC ZINC000009369707 569526727 /nfs/dbraw/zinc/52/67/27/569526727.db2.gz MKMNLSPPVYSFJV-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000009373323 569527030 /nfs/dbraw/zinc/52/70/30/569527030.db2.gz VBHZTIVJUOPRTG-IAGOWNOFSA-N 0 0 435.593 4.599 50 0 IJAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000009374735 569527189 /nfs/dbraw/zinc/52/71/89/569527189.db2.gz QAURQJQCWQIJLZ-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN C[C@@H](NC(=O)COc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O)c1ccccc1 ZINC000009377316 569527453 /nfs/dbraw/zinc/52/74/53/569527453.db2.gz ORLRNQBWIVNVBO-MRXNPFEDSA-N 0 0 433.435 4.981 50 0 IJAARN CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)s1 ZINC000070011315 569528046 /nfs/dbraw/zinc/52/80/46/569528046.db2.gz IFLMAQCGAQDNHL-UHFFFAOYSA-N 0 0 433.407 4.937 50 0 IJAARN CCCC(CCC)C(=O)Nc1scc2c1c(=O)n(-c1ccccc1)nc2C(=O)OCC ZINC000009381289 569528087 /nfs/dbraw/zinc/52/80/87/569528087.db2.gz DNWOVHABQVEILC-UHFFFAOYSA-N 0 0 441.553 4.779 50 0 IJAARN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1c[nH]c2ccccc21 ZINC000009382314 569528299 /nfs/dbraw/zinc/52/82/99/569528299.db2.gz JTRYEUYSTIGDHO-UHFFFAOYSA-N 0 0 449.580 4.729 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000009382508 569528301 /nfs/dbraw/zinc/52/83/01/569528301.db2.gz CXLUONSDUITDSU-UHFFFAOYSA-N 0 0 447.564 4.529 50 0 IJAARN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000009391200 569528935 /nfs/dbraw/zinc/52/89/35/569528935.db2.gz KDYPYCFRTJCELO-VLSFKVKESA-N 0 0 447.560 4.649 50 0 IJAARN COc1ccc(/C=C\C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1OC ZINC000009391618 569528982 /nfs/dbraw/zinc/52/89/82/569528982.db2.gz WOHADLUETNLKKY-LUAWRHEFSA-N 0 0 435.549 4.905 50 0 IJAARN COc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009403495 569529469 /nfs/dbraw/zinc/52/94/69/569529469.db2.gz NUDIYLSEKYAAEJ-IBGZPJMESA-N 0 0 438.867 4.511 50 0 IJAARN COc1ccc(-c2nsc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009404040 569529619 /nfs/dbraw/zinc/52/96/19/569529619.db2.gz MMZFMEXTNQVKKW-UHFFFAOYSA-N 0 0 425.457 4.963 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405653 569529966 /nfs/dbraw/zinc/52/99/66/569529966.db2.gz SVXNFOVDTJGDTJ-UHFFFAOYSA-N 0 0 446.370 4.816 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000009409171 569530926 /nfs/dbraw/zinc/53/09/26/569530926.db2.gz HWGWMCJJEOFCAJ-AREMUKBSSA-N 0 0 439.515 4.887 50 0 IJAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)ccc4C)nn32)cc1 ZINC000009415228 569532147 /nfs/dbraw/zinc/53/21/47/569532147.db2.gz LTVXMWDDXOJWFZ-UHFFFAOYSA-N 0 0 433.537 4.538 50 0 IJAARN COC(=O)c1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2)o1 ZINC000009416325 569532288 /nfs/dbraw/zinc/53/22/88/569532288.db2.gz RQMZCYWOCQMKOJ-UHFFFAOYSA-N 0 0 431.473 4.539 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4N4CCCC4)c(=O)c23)cc1 ZINC000009417002 569532373 /nfs/dbraw/zinc/53/23/73/569532373.db2.gz KUMUCDDOWKNGJN-UHFFFAOYSA-N 0 0 444.560 4.672 50 0 IJAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000009424719 569533167 /nfs/dbraw/zinc/53/31/67/569533167.db2.gz NHNLAJPTNUKKFF-KRWDZBQOSA-N 0 0 447.915 4.630 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)n1 ZINC000009431804 569534282 /nfs/dbraw/zinc/53/42/82/569534282.db2.gz DJZIADBNYFRCSJ-UHFFFAOYSA-N 0 0 438.003 4.947 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009435354 569534856 /nfs/dbraw/zinc/53/48/56/569534856.db2.gz QHRCITICNSLFIL-UHFFFAOYSA-N 0 0 448.947 4.637 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1ccccc1F)oc1c3CCCC1 ZINC000009435898 569534878 /nfs/dbraw/zinc/53/48/78/569534878.db2.gz LDMHTRFBTNZGOG-UHFFFAOYSA-N 0 0 433.479 4.767 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc21)Nc1nc2ccccc2s1 ZINC000009438746 569535005 /nfs/dbraw/zinc/53/50/05/569535005.db2.gz RIBBVMIUYLNHLN-UHFFFAOYSA-N 0 0 440.484 4.702 50 0 IJAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1cccs1 ZINC000009440373 569535200 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Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3cc(C)cc(C)c3)cc2s1 ZINC000009610879 569552697 /nfs/dbraw/zinc/55/26/97/569552697.db2.gz BLGFDEHWNDFAMF-HXUWFJFHSA-N 0 0 445.610 4.553 50 0 IJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)(C3)C2 ZINC000009613149 569552975 /nfs/dbraw/zinc/55/29/75/569552975.db2.gz TYWHUKRREHBCEQ-KIDGDNONSA-N 0 0 431.532 4.629 50 0 IJAARN CC(C)CCn1nc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2c1=O ZINC000009613344 569553011 /nfs/dbraw/zinc/55/30/11/569553011.db2.gz UEPNVCCQBPWGJP-UHFFFAOYSA-N 0 0 436.512 4.958 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2Cl)c(=O)n1-c1ccccc1)CCC3 ZINC000009615347 569553176 /nfs/dbraw/zinc/55/31/76/569553176.db2.gz JWGOGJJWGBJZRN-UHFFFAOYSA-N 0 0 426.900 4.543 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[C@@H]1C ZINC000009631010 569553697 /nfs/dbraw/zinc/55/36/97/569553697.db2.gz WMJBORNDKVKQOC-CPUCHLNUSA-N 0 0 448.972 4.752 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000009631225 569553781 /nfs/dbraw/zinc/55/37/81/569553781.db2.gz GDLCVURJTTWYQT-UHFFFAOYSA-N 0 0 446.459 4.656 50 0 IJAARN Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c(Br)c1 ZINC000009632160 569553918 /nfs/dbraw/zinc/55/39/18/569553918.db2.gz DIWZSGMOYGHHPS-UHFFFAOYSA-N 0 0 448.320 4.768 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000009632112 569553946 /nfs/dbraw/zinc/55/39/46/569553946.db2.gz LXULTMSIXNQBBS-UHFFFAOYSA-N 0 0 445.972 4.754 50 0 IJAARN Cc1cc(C)c(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C)c1 ZINC000009632823 569554088 /nfs/dbraw/zinc/55/40/88/569554088.db2.gz BLOSSDLYUVHORS-UHFFFAOYSA-N 0 0 440.503 4.655 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1 ZINC000009632890 569554120 /nfs/dbraw/zinc/55/41/20/569554120.db2.gz HJINGWRFXVLRHZ-UHFFFAOYSA-N 0 0 443.459 4.557 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3)n2C)c2ccccc2)c1 ZINC000009633204 569554232 /nfs/dbraw/zinc/55/42/32/569554232.db2.gz OZQWRAGMTCDBRO-OAQYLSRUSA-N 0 0 430.533 4.963 50 0 IJAARN Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)o2)cc1 ZINC000009639922 569555283 /nfs/dbraw/zinc/55/52/83/569555283.db2.gz ISVXQIMNPLXSRO-UHFFFAOYSA-N 0 0 439.581 4.911 50 0 IJAARN CCN(C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C1=CCCCC1 ZINC000009644010 569555967 /nfs/dbraw/zinc/55/59/67/569555967.db2.gz ATKLVZUWOWCCMM-INIZCTEOSA-N 0 0 448.036 4.942 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000009662092 569557109 /nfs/dbraw/zinc/55/71/09/569557109.db2.gz FMEZVMGZZMUUTN-JXFKEZNVSA-N 0 0 440.569 4.706 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(C)=O)cc1)oc1ccccc12 ZINC000009663572 569557269 /nfs/dbraw/zinc/55/72/69/569557269.db2.gz LNFIZEJTSFMGIX-CQSZACIVSA-N 0 0 446.459 4.737 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)c2cc1C(C)C ZINC000009664571 569557401 /nfs/dbraw/zinc/55/74/01/569557401.db2.gz BFKQKOVWOQEDNU-XMMPIXPASA-N 0 0 438.911 4.845 50 0 IJAARN CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000009666230 569557711 /nfs/dbraw/zinc/55/77/11/569557711.db2.gz ZXEPYCVFOLPMNG-UHFFFAOYSA-N 0 0 443.617 4.686 50 0 IJAARN COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009671056 569558422 /nfs/dbraw/zinc/55/84/22/569558422.db2.gz QGKGXPVEQNOFSS-INIZCTEOSA-N 0 0 447.520 4.583 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCN(c2nccs2)CC1 ZINC000009671424 569558545 /nfs/dbraw/zinc/55/85/45/569558545.db2.gz BUPYVTBJPZZFLG-UHFFFAOYSA-N 0 0 434.281 4.780 50 0 IJAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)c1 ZINC000009674375 569559180 /nfs/dbraw/zinc/55/91/80/569559180.db2.gz BRXQFJDNQOYRNE-QFIPXVFZSA-N 0 0 440.528 4.698 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009683012 569560326 /nfs/dbraw/zinc/56/03/26/569560326.db2.gz LHMYYJFSYNVLRK-HXUWFJFHSA-N 0 0 444.965 4.935 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)CSc3nnc(-c4ccco4)n3C)n2)c1 ZINC000009683830 569560424 /nfs/dbraw/zinc/56/04/24/569560424.db2.gz ITUXVSVXNKZKNV-UHFFFAOYSA-N 0 0 425.539 4.546 50 0 IJAARN CCc1ccc(CNC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000009687890 569560815 /nfs/dbraw/zinc/56/08/15/569560815.db2.gz SOJKGECNZITPOO-UHFFFAOYSA-N 0 0 431.561 4.852 50 0 IJAARN CCN(CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O)c1cccc(C)c1 ZINC000009693056 569561122 /nfs/dbraw/zinc/56/11/22/569561122.db2.gz LAFPGYNWBPDBTQ-UHFFFAOYSA-N 0 0 433.577 4.708 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000009707401 569561459 /nfs/dbraw/zinc/56/14/59/569561459.db2.gz LPDPBBIYEHZHMY-UHFFFAOYSA-N 0 0 441.512 4.648 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)c(C)c1 ZINC000009708244 569561870 /nfs/dbraw/zinc/56/18/70/569561870.db2.gz GCXSWYNKVYWWCZ-NRFANRHFSA-N 0 0 426.607 4.756 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 ZINC000009712709 569562320 /nfs/dbraw/zinc/56/23/20/569562320.db2.gz HMNALIAUQABCEM-UHFFFAOYSA-N 0 0 433.363 4.834 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000009712655 569562325 /nfs/dbraw/zinc/56/23/25/569562325.db2.gz KAEBWKAZGFHOPI-UHFFFAOYSA-N 0 0 427.334 4.773 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4sccc4c3)c2)cc1 ZINC000009714873 569562970 /nfs/dbraw/zinc/56/29/70/569562970.db2.gz WOENFQULIJEPAM-UHFFFAOYSA-N 0 0 438.530 4.963 50 0 IJAARN C[C@H](c1nnc(SCc2cn3ccccc3n2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009729743 569564273 /nfs/dbraw/zinc/56/42/73/569564273.db2.gz AKFYUWIGYNQLBG-QGZVFWFLSA-N 0 0 436.560 4.893 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc3ccccc3cc2OC)c(C(=O)OCC)c1C ZINC000009731321 569564547 /nfs/dbraw/zinc/56/45/47/569564547.db2.gz HJZJFOGJFMBYSS-UHFFFAOYSA-N 0 0 441.505 4.824 50 0 IJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000009731849 569564744 /nfs/dbraw/zinc/56/47/44/569564744.db2.gz SEOAUSQSHATKAB-UHFFFAOYSA-N 0 0 441.934 4.971 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000009734042 569564756 /nfs/dbraw/zinc/56/47/56/569564756.db2.gz XATPFSVBOHWZBA-UHFFFAOYSA-N 0 0 434.515 4.625 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C1CCCC1)NCCc1ccccc1 ZINC000009752605 569566157 /nfs/dbraw/zinc/56/61/57/569566157.db2.gz AHNKLDVAPFFYHK-UHFFFAOYSA-N 0 0 447.560 4.709 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3Cc3ccccc3)c2)cs1 ZINC000009781895 569567594 /nfs/dbraw/zinc/56/75/94/569567594.db2.gz HWIKOEMZVHAHED-UHFFFAOYSA-N 0 0 435.578 4.798 50 0 IJAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N(CCc1ccccc1)Cc1cccs1 ZINC000009782479 569567713 /nfs/dbraw/zinc/56/77/13/569567713.db2.gz FGEJWOVMGLOTFR-UHFFFAOYSA-N 0 0 426.925 4.581 50 0 IJAARN Cc1oc2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc2c(=O)c1-c1ccccc1 ZINC000009789865 569568166 /nfs/dbraw/zinc/56/81/66/569568166.db2.gz YFXAUWQFDNWATG-UHFFFAOYSA-N 0 0 443.455 4.557 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3oc4ccccc4c3COc3ccccc3)cc2NC1=O ZINC000009791256 569568201 /nfs/dbraw/zinc/56/82/01/569568201.db2.gz WTKKSRZPMFMSQK-HNNXBMFYSA-N 0 0 428.444 4.984 50 0 IJAARN C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000009794889 569568378 /nfs/dbraw/zinc/56/83/78/569568378.db2.gz NBYNSXIOTHPAON-KRWDZBQOSA-N 0 0 432.524 4.793 50 0 IJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000009796137 569568452 /nfs/dbraw/zinc/56/84/52/569568452.db2.gz KQJHXVLXAPOCHH-UHFFFAOYSA-N 0 0 447.973 4.859 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009798826 569568556 /nfs/dbraw/zinc/56/85/56/569568556.db2.gz JLIVAEXCXYXLCN-UHFFFAOYSA-N 0 0 440.551 4.785 50 0 IJAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2ccc(F)cc2)cc1=O ZINC000009816050 569569189 /nfs/dbraw/zinc/56/91/89/569569189.db2.gz HLPKNSOHYUZMDD-UHFFFAOYSA-N 0 0 432.904 4.580 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000009824062 569569606 /nfs/dbraw/zinc/56/96/06/569569606.db2.gz ALOYZPAXLKSJBI-IBGZPJMESA-N 0 0 449.532 4.505 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2Cc2cccs2)c2ccccc2)c1 ZINC000009831833 569570240 /nfs/dbraw/zinc/57/02/40/569570240.db2.gz KORMFYAQGWBGTM-FQEVSTJZSA-N 0 0 435.578 4.872 50 0 IJAARN CSc1cccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@H](C)C2=O)c1 ZINC000009834047 569570483 /nfs/dbraw/zinc/57/04/83/569570483.db2.gz ACNZINMEAGGTTG-QGZVFWFLSA-N 0 0 429.545 4.620 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cccc(Cl)c2C)CC1 ZINC000009835193 569570619 /nfs/dbraw/zinc/57/06/19/569570619.db2.gz NLZHLCUKDGKDOI-OAQYLSRUSA-N 0 0 427.932 4.836 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)cc1 ZINC000009845768 569570971 /nfs/dbraw/zinc/57/09/71/569570971.db2.gz HYIBZRVIBUTZHW-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)N1CCCCCC1 ZINC000009847481 569571112 /nfs/dbraw/zinc/57/11/12/569571112.db2.gz OWTPIZWEKFUVDX-SFHVURJKSA-N 0 0 438.572 4.880 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000009858332 569571694 /nfs/dbraw/zinc/57/16/94/569571694.db2.gz PFNXELAKYQLBQW-UHFFFAOYSA-N 0 0 431.565 4.544 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)n1-c1ccccc1 ZINC000009864500 569572116 /nfs/dbraw/zinc/57/21/16/569572116.db2.gz WXMFMYJRMROZTD-AWEZNQCLSA-N 0 0 444.516 4.866 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)cc2)cs1 ZINC000009884722 569572808 /nfs/dbraw/zinc/57/28/08/569572808.db2.gz MUXPWAYSUOQQAU-KRWDZBQOSA-N 0 0 425.941 4.759 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cccc(Cl)c2)cc1 ZINC000009908169 569573170 /nfs/dbraw/zinc/57/31/70/569573170.db2.gz YYLIQDBOXTUECJ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(NCCCCCc1nc(-c2cccs2)no1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000009930198 569573595 /nfs/dbraw/zinc/57/35/95/569573595.db2.gz RWELYXFPEQQSNI-UHFFFAOYSA-N 0 0 439.566 4.789 50 0 IJAARN CCSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCCC1 ZINC000009938625 569573835 /nfs/dbraw/zinc/57/38/35/569573835.db2.gz SKAULAXQNKWDIB-UHFFFAOYSA-N 0 0 429.611 4.952 50 0 IJAARN CSc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4Cl)n3)c2C)c1 ZINC000009940549 569573933 /nfs/dbraw/zinc/57/39/33/569573933.db2.gz HBAVAPFMKIFULL-UHFFFAOYSA-N 0 0 442.957 4.722 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(Cl)cc1 ZINC000009940612 569573971 /nfs/dbraw/zinc/57/39/71/569573971.db2.gz IIBUZKIJJPLQMW-UHFFFAOYSA-N 0 0 431.308 4.653 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccccc1F ZINC000009942599 569574053 /nfs/dbraw/zinc/57/40/53/569574053.db2.gz BARCCBZMZNRVGM-HXUWFJFHSA-N 0 0 438.528 4.870 50 0 IJAARN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000009952468 569574578 /nfs/dbraw/zinc/57/45/78/569574578.db2.gz HCSUGAPXPGDMIE-JKSUJKDBSA-N 0 0 438.572 4.881 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2OC)cc1 ZINC000009958818 569574945 /nfs/dbraw/zinc/57/49/45/569574945.db2.gz XVTLGERLGVPSHH-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)c1 ZINC000009959552 569575188 /nfs/dbraw/zinc/57/51/88/569575188.db2.gz QPBIHNRKUXCTAY-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000009963964 569575920 /nfs/dbraw/zinc/57/59/20/569575920.db2.gz GPAJCLTZPFECNI-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)c1ccc(F)cc1 ZINC000009970702 569576242 /nfs/dbraw/zinc/57/62/42/569576242.db2.gz IAFIEOBCZSQALL-UHFFFAOYSA-N 0 0 440.521 4.702 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009971465 569576271 /nfs/dbraw/zinc/57/62/71/569576271.db2.gz HQOXRJGGKVPPGU-UHFFFAOYSA-N 0 0 430.456 4.514 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC000009972010 569576323 /nfs/dbraw/zinc/57/63/23/569576323.db2.gz SSSKFVKMESVRRG-UHFFFAOYSA-N 0 0 448.466 4.924 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000009982924 569576559 /nfs/dbraw/zinc/57/65/59/569576559.db2.gz YBJLWLLDPWZALM-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000009988968 569576820 /nfs/dbraw/zinc/57/68/20/569576820.db2.gz XKJHHICZXNTMBW-UHFFFAOYSA-N 0 0 437.899 4.715 50 0 IJAARN COc1ccc(NC(=O)Cn2c(=O)c3ccccc3nc2-c2ccccc2F)cc1Cl ZINC000010013002 569576997 /nfs/dbraw/zinc/57/69/97/569576997.db2.gz USQBYBAUQAEWNF-UHFFFAOYSA-N 0 0 437.858 4.503 50 0 IJAARN COc1ccc(Br)cc1[C@@H]1SCCN1S(=O)(=O)c1ccc(C)cc1C ZINC000010013855 569577125 /nfs/dbraw/zinc/57/71/25/569577125.db2.gz QYJXRZWPGBVEAR-SFHVURJKSA-N 0 0 442.400 4.511 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000010030289 569577274 /nfs/dbraw/zinc/57/72/74/569577274.db2.gz LUCUXRDZPZLOHR-UHFFFAOYSA-N 0 0 439.414 4.509 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c(C)c1Br ZINC000010034810 569577367 /nfs/dbraw/zinc/57/73/67/569577367.db2.gz RKUIANZMUKSSCP-UHFFFAOYSA-N 0 0 445.357 4.628 50 0 IJAARN CC(=O)N(c1nc(CSc2nc3ncccn3n2)cs1)c1c(C)cc(C)cc1Cl ZINC000010074438 569577662 /nfs/dbraw/zinc/57/76/62/569577662.db2.gz CSTLGWPIPAPQMM-UHFFFAOYSA-N 0 0 444.973 4.828 50 0 IJAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1ccccc1OC(F)F ZINC000010115147 569578018 /nfs/dbraw/zinc/57/80/18/569578018.db2.gz LVNQYSDTGLYSHO-UHFFFAOYSA-N 0 0 431.439 4.662 50 0 IJAARN Cc1cc2nc(N(Cc3ccccn3)C(=O)[C@H]3COc4ccccc4O3)sc2cc1C ZINC000010187718 569578711 /nfs/dbraw/zinc/57/87/11/569578711.db2.gz ZINUDONHTUCTLE-OAQYLSRUSA-N 0 0 431.517 4.681 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000010215041 569579229 /nfs/dbraw/zinc/57/92/29/569579229.db2.gz BWZPCGARIAZQEN-UHFFFAOYSA-N 0 0 440.565 4.627 50 0 IJAARN COc1ccccc1[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1c1nccs1 ZINC000010233042 569579395 /nfs/dbraw/zinc/57/93/95/569579395.db2.gz UIOUWXJJWGYQMA-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN Cc1nc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccnc2)sc1C ZINC000010233049 569579449 /nfs/dbraw/zinc/57/94/49/569579449.db2.gz ZXMKSKDTIIHNIY-GOSISDBHSA-N 0 0 437.908 4.973 50 0 IJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000010246654 569579742 /nfs/dbraw/zinc/57/97/42/569579742.db2.gz RUDKEJFJFXAPMQ-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)c(OC)c1 ZINC000010273314 569580223 /nfs/dbraw/zinc/58/02/23/569580223.db2.gz ICTVFOZSRZESMI-UHFFFAOYSA-N 0 0 427.258 4.573 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010326974 569580995 /nfs/dbraw/zinc/58/09/95/569580995.db2.gz PLBFOCZWTMURKR-UHFFFAOYSA-N 0 0 426.438 4.982 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000010327559 569581041 /nfs/dbraw/zinc/58/10/41/569581041.db2.gz CPOLSTZEQANOJD-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN Cc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@H](c3cccnc3)C21 ZINC000010337055 569581172 /nfs/dbraw/zinc/58/11/72/569581172.db2.gz NXBCOIGMGUAOHU-FGZHOGPDSA-N 0 0 428.883 4.590 50 0 IJAARN Cc1ccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc2c1C ZINC000010381622 569581681 /nfs/dbraw/zinc/58/16/81/569581681.db2.gz DAYWUYQXBAGNGS-UHFFFAOYSA-N 0 0 448.548 4.618 50 0 IJAARN Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(N5CCCC5=O)cc4)c3)cn2c1 ZINC000010390934 569581831 /nfs/dbraw/zinc/58/18/31/569581831.db2.gz MSJVYHXLIWTSSE-UHFFFAOYSA-N 0 0 440.503 4.601 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 ZINC000010423228 569581971 /nfs/dbraw/zinc/58/19/71/569581971.db2.gz LQBGUUSYIOIDKW-UHFFFAOYSA-N 0 0 442.450 4.552 50 0 IJAARN COc1cc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCC3)cc(OC)c1OC ZINC000010433631 569582065 /nfs/dbraw/zinc/58/20/65/569582065.db2.gz XLJUQEJMVWVAPP-UHFFFAOYSA-N 0 0 438.549 4.645 50 0 IJAARN CC[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccccc4OC)n3C)cc2C1 ZINC000010440387 569582199 /nfs/dbraw/zinc/58/21/99/569582199.db2.gz OJJCXITXVJPXFY-AWEZNQCLSA-N 0 0 442.610 4.798 50 0 IJAARN COc1ccc(-c2cc(N3CCC[C@@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)cc1 ZINC000077191904 569585968 /nfs/dbraw/zinc/58/59/68/569585968.db2.gz VGQQEZDZXGDHNS-QGZVFWFLSA-N 0 0 445.548 4.617 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1(c2nc(-c3cnccn3)no2)CCCCC1 ZINC000077197520 569586193 /nfs/dbraw/zinc/58/61/93/569586193.db2.gz ISBYUABZVQVXIP-UHFFFAOYSA-N 0 0 432.406 4.527 50 0 IJAARN COc1ccc([C@@H]2c3cnn(C(C)(C)C)c3Nc3[nH]c(=O)n(-c4ccc(F)cc4)c32)cc1 ZINC000078546673 569586721 /nfs/dbraw/zinc/58/67/21/569586721.db2.gz FVQVAWZSAUIDSB-WOJBJXKFSA-N 0 0 433.487 4.751 50 0 IJAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCc1c[nH]c2ccccc12 ZINC000033260490 569587401 /nfs/dbraw/zinc/58/74/01/569587401.db2.gz QULRPRFFBBXQKR-UHFFFAOYSA-N 0 0 436.537 4.916 50 0 IJAARN Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)s2)cc1F ZINC000195582511 569588089 /nfs/dbraw/zinc/58/80/89/569588089.db2.gz IRSSVECJLFTNCI-FQEVSTJZSA-N 0 0 429.492 4.926 50 0 IJAARN CCC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2C)cc1 ZINC000000624531 193860592 /nfs/dbraw/zinc/86/05/92/193860592.db2.gz GIGUNRGDVGGENY-UHFFFAOYSA-N 0 0 430.533 4.959 50 0 IJAARN COc1cc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)c(OC)cc1Cl ZINC000000652953 193873070 /nfs/dbraw/zinc/87/30/70/193873070.db2.gz ABTQBRZMBIKPQV-UHFFFAOYSA-N 0 0 432.761 4.527 50 0 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CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000006238765 132276701 /nfs/dbraw/zinc/27/67/01/132276701.db2.gz NTGWMMGRAKWMNW-UHFFFAOYSA-N 0 0 427.548 4.911 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c2cc(Cl)ccc2O1 ZINC000008588459 132282939 /nfs/dbraw/zinc/28/29/39/132282939.db2.gz RNVNNMJPXPQAIW-QGZVFWFLSA-N 0 0 445.991 4.766 50 0 aggregator IJAARN O=C(NCc1ccccc1Cl)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000008594258 132284420 /nfs/dbraw/zinc/28/44/20/132284420.db2.gz MSMALRJISOCMCZ-UHFFFAOYSA-N 0 0 438.940 4.809 50 0 aggregator IJAARN CCN(C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)c1ccccc1 ZINC000008596271 132285088 /nfs/dbraw/zinc/28/50/88/132285088.db2.gz BYXKTWWVVJNQFH-SFHVURJKSA-N 0 0 445.498 4.693 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c12 ZINC000008598045 132285753 /nfs/dbraw/zinc/28/57/53/132285753.db2.gz WSGZHZGDPVCVHF-UHFFFAOYSA-N 0 0 439.563 4.617 50 0 IJAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1)c1ccccc1 ZINC000008599904 132286124 /nfs/dbraw/zinc/28/61/24/132286124.db2.gz HWXLAYNHZQTUMS-OAHLLOKOSA-N 0 0 428.458 4.742 50 0 IJAARN CCc1ccc(CNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 ZINC000008602432 132286717 /nfs/dbraw/zinc/28/67/17/132286717.db2.gz PAMVSWLIFNIFGU-UHFFFAOYSA-N 0 0 446.576 4.647 50 0 IJAARN Cc1cccc(-c2nc3c4ccccc4nc(N4CCN(c5ccc(F)cc5)CC4)n3n2)c1 ZINC000008604755 132287064 /nfs/dbraw/zinc/28/70/64/132287064.db2.gz ONLMZKCWOYTRDU-UHFFFAOYSA-N 0 0 438.510 4.719 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000008725876 132292286 /nfs/dbraw/zinc/29/22/86/132292286.db2.gz ITYKEXQQTFCXFD-UHFFFAOYSA-N 0 0 438.553 4.856 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000008826336 132295395 /nfs/dbraw/zinc/29/53/95/132295395.db2.gz NEBSYHCBFSMWQX-UHFFFAOYSA-N 0 0 442.494 4.767 50 0 IJAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000008861993 132296634 /nfs/dbraw/zinc/29/66/34/132296634.db2.gz KPTHKJISRJKPSY-UHFFFAOYSA-N 0 0 446.938 4.529 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)cs2)cc1 ZINC000008965662 132298926 /nfs/dbraw/zinc/29/89/26/132298926.db2.gz WXVZYBVEQQNBQJ-JOCHJYFZSA-N 0 0 447.560 4.539 50 0 IJAARN Cc1cc(C)c(NC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)c(C)c1 ZINC000009114918 132303421 /nfs/dbraw/zinc/30/34/21/132303421.db2.gz BHHKXFYKFXBXQD-XMMPIXPASA-N 0 0 429.520 4.892 50 0 IJAARN CSc1ncc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(-c2ccccc2)n1 ZINC000009153538 132307025 /nfs/dbraw/zinc/30/70/25/132307025.db2.gz FEFRHWRDMYQWFJ-UHFFFAOYSA-N 0 0 438.984 4.790 50 0 IJAARN CC(C)Cn1cc(NC(=O)NCCCN2CCCc3ccccc32)c2ccccc2c1=O ZINC000009227626 132309949 /nfs/dbraw/zinc/30/99/49/132309949.db2.gz BFZVLZNXCGCBEI-UHFFFAOYSA-N 0 0 432.568 4.622 50 0 IJAARN Cc1cccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000009289129 132312737 /nfs/dbraw/zinc/31/27/37/132312737.db2.gz UCRHUPULIVBSKT-UHFFFAOYSA-N 0 0 442.519 4.661 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000009336452 132313972 /nfs/dbraw/zinc/31/39/72/132313972.db2.gz IECYOTZQJKVQQX-UHFFFAOYSA-N 0 0 449.554 4.983 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 ZINC000009406301 132315679 /nfs/dbraw/zinc/31/56/79/132315679.db2.gz ZHXPJKTVQLMWIJ-IBGZPJMESA-N 0 0 432.955 4.716 50 0 IJAARN CCC(=O)N1CCN(c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000009426105 132316700 /nfs/dbraw/zinc/31/67/00/132316700.db2.gz CXGXEIHGLXPLKR-UHFFFAOYSA-N 0 0 427.548 4.516 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1 ZINC000009468572 132318496 /nfs/dbraw/zinc/31/84/96/132318496.db2.gz YPSRVNBEHQXKRB-YKSBVNFPSA-N 0 0 440.503 4.695 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(F)cc1 ZINC000009526217 132320312 /nfs/dbraw/zinc/32/03/12/132320312.db2.gz NXWWQNRARJIERT-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CCN(c2ccccc2)CC1 ZINC000009544874 132321058 /nfs/dbraw/zinc/32/10/58/132321058.db2.gz AGAIXVJSAUXAIX-UHFFFAOYSA-N 0 0 446.601 4.799 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000009562923 132321723 /nfs/dbraw/zinc/32/17/23/132321723.db2.gz SHLUQNPAAPOIDK-UHFFFAOYSA-N 0 0 438.446 4.592 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000009594610 132322639 /nfs/dbraw/zinc/32/26/39/132322639.db2.gz DNHHPJWNRXSIPW-QZTJIDSGSA-N 0 0 436.581 4.591 50 0 IJAARN C[C@H](Nc1ccc(N2CCOCC2)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009632302 132323951 /nfs/dbraw/zinc/32/39/51/132323951.db2.gz OUXZFKBEHRUNLE-INIZCTEOSA-N 0 0 432.549 4.661 50 0 IJAARN CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000009693953 132326435 /nfs/dbraw/zinc/32/64/35/132326435.db2.gz MMBQURLGTNPDNE-UHFFFAOYSA-N 0 0 435.593 4.794 50 0 IJAARN Cc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1C ZINC000009708834 132326725 /nfs/dbraw/zinc/32/67/25/132326725.db2.gz MUMWWHAONNXGQY-UHFFFAOYSA-N 0 0 444.461 4.831 50 0 IJAARN C[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009726356 132327750 /nfs/dbraw/zinc/32/77/50/132327750.db2.gz OXZHDOJMHSJSLZ-AWEZNQCLSA-N 0 0 446.557 4.824 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009782554 132328938 /nfs/dbraw/zinc/32/89/38/132328938.db2.gz RESCSCGHRJVJNS-UKILVPOCSA-N 0 0 430.504 4.827 50 0 IJAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1)c1ccccc1 ZINC000009849399 132330071 /nfs/dbraw/zinc/33/00/71/132330071.db2.gz XXWMOFYRDIQRDK-UHFFFAOYSA-N 0 0 431.511 4.619 50 0 IJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCCc5ccccc54)o3)cc2C1 ZINC000009950978 132332737 /nfs/dbraw/zinc/33/27/37/132332737.db2.gz OFZSJTJPVTZYRI-CQSZACIVSA-N 0 0 425.579 4.994 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)c1 ZINC000009971948 132333468 /nfs/dbraw/zinc/33/34/68/132333468.db2.gz KPVRBBFREAKGOT-UHFFFAOYSA-N 0 0 443.572 4.983 50 0 IJAARN Cc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(c5cccc(Cl)c5)CC4)nc3C2)cc1 ZINC000010076169 132334535 /nfs/dbraw/zinc/33/45/35/132334535.db2.gz JSDNHFANFXSXJN-FQEVSTJZSA-N 0 0 446.982 4.986 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3sc(-c4ccccc4)c(C)c31)C[C@H]2O ZINC000010215905 132335126 /nfs/dbraw/zinc/33/51/26/132335126.db2.gz XDKIOQUYLBCCMG-QGZVFWFLSA-N 0 0 433.533 4.738 50 0 IJAARN CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc(Cl)cc1 ZINC000010917910 132336852 /nfs/dbraw/zinc/33/68/52/132336852.db2.gz UCLFLCCKROQECQ-GOSISDBHSA-N 0 0 445.972 4.702 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Cl)c1 ZINC000011118980 132337358 /nfs/dbraw/zinc/33/73/58/132337358.db2.gz GEXBKBXKLOEEDQ-UHFFFAOYSA-N 0 0 426.925 4.717 50 0 IJAARN CCOc1ccc(NC(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1 ZINC000011613239 132338327 /nfs/dbraw/zinc/33/83/27/132338327.db2.gz PSERMBWLDQCVBR-UHFFFAOYSA-N 0 0 447.539 4.639 50 0 IJAARN Cc1nc(N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)nc2cc3c(cc12)CCC3 ZINC000011789062 132339867 /nfs/dbraw/zinc/33/98/67/132339867.db2.gz UYFNDMKAAOVNRF-SFHVURJKSA-N 0 0 428.580 4.563 50 0 IJAARN CCOC(=O)/C=C/c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013000272 132341603 /nfs/dbraw/zinc/34/16/03/132341603.db2.gz GTBRXRKPKSTYNL-BJMVGYQFSA-N 0 0 447.457 4.532 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1 ZINC000013039247 132343190 /nfs/dbraw/zinc/34/31/90/132343190.db2.gz OLFXBMUCNOYWRD-UHFFFAOYSA-N 0 0 431.945 4.690 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(c4ccccc4C)CC3)c2n1 ZINC000013041760 132343439 /nfs/dbraw/zinc/34/34/39/132343439.db2.gz VDPYLTXTLAJJEJ-UHFFFAOYSA-N 0 0 444.362 4.886 50 0 IJAARN O=C(Cc1ccc2ccccc2c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013068995 132343836 /nfs/dbraw/zinc/34/38/36/132343836.db2.gz FMNKGNVCMRFAEB-UHFFFAOYSA-N 0 0 433.861 4.798 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3)[C@@H]2c2ccccc2OC)cc1 ZINC000013114604 132344903 /nfs/dbraw/zinc/34/49/03/132344903.db2.gz ISTVWKYPLFGXAJ-OZXSUGGESA-N 0 0 444.531 4.505 50 0 IJAARN O=C(CNc1cc(Cl)ccc1N1CCCCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013126968 132345353 /nfs/dbraw/zinc/34/53/53/132345353.db2.gz BDSLCZFJZLMNLM-UHFFFAOYSA-N 0 0 445.354 4.615 50 0 IJAARN Cc1cc(C)cc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000013469185 132346999 /nfs/dbraw/zinc/34/69/99/132346999.db2.gz UUFYQUCXFRJEIR-UHFFFAOYSA-N 0 0 428.911 4.890 50 0 IJAARN CCCNC(=O)[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000014171549 132356441 /nfs/dbraw/zinc/35/64/41/132356441.db2.gz CSWBEULYVMMJFF-RUZDIDTESA-N 0 0 428.532 4.529 50 0 IJAARN Brc1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000021540719 518222219 /nfs/dbraw/zinc/22/22/19/518222219.db2.gz ARLSFSDXLDYHRE-UHFFFAOYSA-N 0 0 445.386 4.518 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(CCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022653792 518402667 /nfs/dbraw/zinc/40/26/67/518402667.db2.gz DLUDKRJWRQPLMC-UHFFFAOYSA-N 0 0 439.499 4.942 50 0 IJAARN C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)C[C@@H](OC(=O)C(C)=C(C)C)[C@H]21 ZINC000252428376 518485471 /nfs/dbraw/zinc/48/54/71/518485471.db2.gz AVECJVSAHPKONZ-SGXYLOHQSA-N 0 0 442.552 4.751 50 0 IJAARN CC(C)(C)C(=O)NCCC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000022523587 518574914 /nfs/dbraw/zinc/57/49/14/518574914.db2.gz DROUMMWPQACDBL-UHFFFAOYSA-N 0 0 435.593 4.938 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCc5ccccc5C4)[nH]c(=O)c32)C1 ZINC000021882610 518945038 /nfs/dbraw/zinc/94/50/38/518945038.db2.gz KASOHZISGGVRRF-GOSISDBHSA-N 0 0 449.620 4.653 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(F)c(F)c4)[nH]c(=O)c23)C1 ZINC000021352500 518979354 /nfs/dbraw/zinc/97/93/54/518979354.db2.gz BKIXRFTWZWSFPY-LBPRGKRZSA-N 0 0 445.535 4.985 50 0 IJAARN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002320488 519390488 /nfs/dbraw/zinc/39/04/88/519390488.db2.gz BXIRFNUOFLMUSX-DQEYMECFSA-N 0 0 440.543 4.798 50 0 IJAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cs1)c1ccccc1 ZINC000016104212 519473665 /nfs/dbraw/zinc/47/36/65/519473665.db2.gz ZOQGOBQUARHSRZ-CSKARUKUSA-N 0 0 443.431 4.801 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1cccc(C)c1C ZINC000013113536 519478789 /nfs/dbraw/zinc/47/87/89/519478789.db2.gz IKRMOYSEUWXNNA-UHFFFAOYSA-N 0 0 428.587 4.838 50 0 IJAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC000012822908 519527152 /nfs/dbraw/zinc/52/71/52/519527152.db2.gz HRRCONRSRPXZHM-UHFFFAOYSA-N 0 0 448.420 4.555 50 0 IJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3cccc4ccccc43)CCC(=O)N2)C1 ZINC000012183424 519611198 /nfs/dbraw/zinc/61/11/98/519611198.db2.gz QQASOJIBOUOODH-FIPFOOKPSA-N 0 0 448.607 4.665 50 0 IJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000035765763 519635589 /nfs/dbraw/zinc/63/55/89/519635589.db2.gz OFENVBFJXDHQGB-LOSJGSFVSA-N 0 0 430.548 4.849 50 0 IJAARN CC(C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035537946 519650820 /nfs/dbraw/zinc/65/08/20/519650820.db2.gz VHZOYOQQTBEMLU-UHFFFAOYSA-N 0 0 447.413 4.577 50 0 IJAARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000015239169 519682159 /nfs/dbraw/zinc/68/21/59/519682159.db2.gz VSWPENHHTPCTHC-LBPRGKRZSA-N 0 0 431.464 4.861 50 0 IJAARN CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Cc1ccccc1 ZINC000035765028 519709740 /nfs/dbraw/zinc/70/97/40/519709740.db2.gz BDZRJRGQMBWEAT-UHFFFAOYSA-N 0 0 432.564 4.578 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1 ZINC000020282596 519721960 /nfs/dbraw/zinc/72/19/60/519721960.db2.gz ZDPVIXJVPVVKAY-UHFFFAOYSA-N 0 0 445.498 4.682 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000035684930 519743997 /nfs/dbraw/zinc/74/39/97/519743997.db2.gz WZIYSIHQPFWAEY-GOSISDBHSA-N 0 0 437.887 4.642 50 0 IJAARN CC(C)OCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021858070 519762176 /nfs/dbraw/zinc/76/21/76/519762176.db2.gz QBNKIHPABDEGPE-SANMLTNESA-N 0 0 439.600 4.510 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020550391 519838520 /nfs/dbraw/zinc/83/85/20/519838520.db2.gz JFOWWJJLSWEQRB-UHFFFAOYSA-N 0 0 434.605 4.906 50 0 IJAARN CCCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000035890379 519869371 /nfs/dbraw/zinc/86/93/71/519869371.db2.gz RATPHIAJAJIZOH-UHFFFAOYSA-N 0 0 432.543 4.631 50 0 IJAARN CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1Cc1ccco1 ZINC000022133433 519890931 /nfs/dbraw/zinc/89/09/31/519890931.db2.gz IZYHHFVXUWYIIG-QGZVFWFLSA-N 0 0 438.597 4.891 50 0 IJAARN CCCNC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000021243540 519894435 /nfs/dbraw/zinc/89/44/35/519894435.db2.gz LNQBPAZLAUYVRB-LBPRGKRZSA-N 0 0 436.368 4.643 50 0 IJAARN CCCCC(=O)Nc1ccc(N2CCN(Cc3nc4ccccc4n3C)CC2)c(Cl)c1 ZINC000020582117 519914786 /nfs/dbraw/zinc/91/47/86/519914786.db2.gz RQWWFHNDQRCKQM-UHFFFAOYSA-N 0 0 439.991 4.678 50 0 IJAARN CC(C)n1c(CN(C(=O)CC(C)(C)C)C2CC2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036042680 519920800 /nfs/dbraw/zinc/92/08/00/519920800.db2.gz MLHFLPQDWWXCQN-UHFFFAOYSA-N 0 0 449.592 4.504 50 0 IJAARN CCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@H]1CCCO1 ZINC000035767288 519950836 /nfs/dbraw/zinc/95/08/36/519950836.db2.gz YSYAZRQHYXJXLT-XMMPIXPASA-N 0 0 440.584 4.786 50 0 IJAARN CCCCCCC(=O)N1CCCN(c2nc(CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925576 519950992 /nfs/dbraw/zinc/95/09/92/519950992.db2.gz OIZBPZYPJZQFPB-UHFFFAOYSA-N 0 0 448.615 4.777 50 0 IJAARN CCN(C(=O)[C@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)c1cccc(C)c1 ZINC000033057677 520045527 /nfs/dbraw/zinc/04/55/27/520045527.db2.gz VQDGNVMDRQDISJ-HNNXBMFYSA-N 0 0 436.899 4.627 50 0 IJAARN CCN(C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1Cc1ccccc1)C1CCCCC1 ZINC000012421582 520071496 /nfs/dbraw/zinc/07/14/96/520071496.db2.gz LDSLVNIHCXGTEH-UHFFFAOYSA-N 0 0 442.563 4.801 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1OCC ZINC000012254042 520295330 /nfs/dbraw/zinc/29/53/30/520295330.db2.gz UWQDBCCWJPSQFG-HXUWFJFHSA-N 0 0 449.906 4.843 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000012884200 520354700 /nfs/dbraw/zinc/35/47/00/520354700.db2.gz PPMAHBAQFMCPKO-UHFFFAOYSA-N 0 0 445.350 4.647 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398643 520354808 /nfs/dbraw/zinc/35/48/08/520354808.db2.gz CSXYLSYUQJWVLC-UHFFFAOYSA-N 0 0 448.542 4.604 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000020324280 520391560 /nfs/dbraw/zinc/39/15/60/520391560.db2.gz VKEPOYXFXWTPFR-HSZRJFAPSA-N 0 0 449.551 4.974 50 0 IJAARN CCCOc1ccccc1NC(=O)CNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000022694076 520477441 /nfs/dbraw/zinc/47/74/41/520477441.db2.gz VXVGSLOKMZAARI-UHFFFAOYSA-N 0 0 433.508 4.787 50 0 IJAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)NCc3cccc4ccccc43)ccc21 ZINC000022505402 520525729 /nfs/dbraw/zinc/52/57/29/520525729.db2.gz WOTMGEASRNGYFQ-UHFFFAOYSA-N 0 0 437.565 4.654 50 0 IJAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OC ZINC000012793453 520593296 /nfs/dbraw/zinc/59/32/96/520593296.db2.gz FXTDTGFKDVCWOU-AIADIJKESA-N 0 0 443.927 4.895 50 0 IJAARN CCC[C@@H](C(=O)OCC)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)CC(C)C ZINC000035844949 520601023 /nfs/dbraw/zinc/60/10/23/520601023.db2.gz ZHINIGKGIQUHKB-QHCPKHFHSA-N 0 0 446.563 4.637 50 0 IJAARN CCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccc(OC)cc2)C1=O ZINC000012420109 520601493 /nfs/dbraw/zinc/60/14/93/520601493.db2.gz OJLXGWZFCKMODP-AREMUKBSSA-N 0 0 427.504 4.767 50 0 IJAARN CCOc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)ccc1O ZINC000024754287 520616965 /nfs/dbraw/zinc/61/69/65/520616965.db2.gz RAZWANXFFPWBTM-YBEGLDIGSA-N 0 0 429.929 4.618 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000002438825 520779533 /nfs/dbraw/zinc/77/95/33/520779533.db2.gz ICYWEZGYVFSUJW-JOCHJYFZSA-N 0 0 445.471 4.853 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000017287965 520792809 /nfs/dbraw/zinc/79/28/09/520792809.db2.gz FZRDUBLLDRKIPK-UHFFFAOYSA-N 0 0 448.548 4.513 50 0 IJAARN CCOc1ccc(-c2cc(NC(=O)c3noc4c3COc3ccccc3-4)on2)cc1OCC ZINC000020484805 520807402 /nfs/dbraw/zinc/80/74/02/520807402.db2.gz IDVMFBOGZALQMF-UHFFFAOYSA-N 0 0 447.447 4.939 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000012619132 520808005 /nfs/dbraw/zinc/80/80/05/520808005.db2.gz SOVUVFDSNSSSOG-INIZCTEOSA-N 0 0 427.785 4.765 50 0 IJAARN CCOc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)cc1 ZINC000033327412 520813931 /nfs/dbraw/zinc/81/39/31/520813931.db2.gz OWLCDRICIRYZEA-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)c1 ZINC000012789434 520817730 /nfs/dbraw/zinc/81/77/30/520817730.db2.gz SYDIKBFVWAJKJU-UHFFFAOYSA-N 0 0 445.610 4.630 50 0 IJAARN CCOc1ccc(-c2noc(-c3cc4cc(Br)cc(OC)c4oc3=O)n2)cc1 ZINC000035592648 520825232 /nfs/dbraw/zinc/82/52/32/520825232.db2.gz CPIZHVAPLVUKHA-UHFFFAOYSA-N 0 0 443.253 4.680 50 0 IJAARN CCOc1ccc(-n2c(=O)c3cnn(-c4ccccc4Cl)c3nc2-c2ccco2)cc1 ZINC000012411989 520830886 /nfs/dbraw/zinc/83/08/86/520830886.db2.gz JZNOOPWDTXBGTB-UHFFFAOYSA-N 0 0 432.867 4.884 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1OCC ZINC000012342270 520919304 /nfs/dbraw/zinc/91/93/04/520919304.db2.gz LOXCMSBOZZAKHQ-UHFFFAOYSA-N 0 0 443.503 4.744 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1OCC ZINC000033020327 520919631 /nfs/dbraw/zinc/91/96/31/520919631.db2.gz DGYRELVNGHAYBH-UHFFFAOYSA-N 0 0 427.526 4.941 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)c(C)c1 ZINC000020938317 520920802 /nfs/dbraw/zinc/92/08/02/520920802.db2.gz DCZCLDHYXVHDHU-UHFFFAOYSA-N 0 0 445.567 4.535 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N ZINC000009666669 520926576 /nfs/dbraw/zinc/92/65/76/520926576.db2.gz NSWBVAPDINYJNT-UHFFFAOYSA-N 0 0 437.352 4.859 50 0 IJAARN CCOc1ccc(CCNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1OCC ZINC000014889525 520952709 /nfs/dbraw/zinc/95/27/09/520952709.db2.gz SECFCHILKMQSIF-UHFFFAOYSA-N 0 0 441.959 4.663 50 0 IJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc1OCC ZINC000021025829 520954786 /nfs/dbraw/zinc/95/47/86/520954786.db2.gz SRMGLKNWKPRLBF-UHFFFAOYSA-N 0 0 436.552 4.922 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000020977988 521022084 /nfs/dbraw/zinc/02/20/84/521022084.db2.gz QJEMFCAZBUZLDS-UHFFFAOYSA-N 0 0 432.445 4.646 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902791 521041508 /nfs/dbraw/zinc/04/15/08/521041508.db2.gz JOEDLZJEPORSJD-MHZLTWQESA-N 0 0 445.563 4.908 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560636 521069865 /nfs/dbraw/zinc/06/98/65/521069865.db2.gz JSSAXEJSQWXQTK-DEOSSOPVSA-N 0 0 430.504 4.820 50 0 IJAARN CCOc1ccc(NC(=O)NCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1OCC ZINC000012925671 521092112 /nfs/dbraw/zinc/09/21/12/521092112.db2.gz WZCXJSQSSFMHFV-UHFFFAOYSA-N 0 0 449.551 4.955 50 0 IJAARN CCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CCCC3=O)cc1 ZINC000000809745 521114285 /nfs/dbraw/zinc/11/42/85/521114285.db2.gz RGEQQPSRQYBVRC-UHFFFAOYSA-N 0 0 436.895 4.661 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1 ZINC000012509514 521116216 /nfs/dbraw/zinc/11/62/16/521116216.db2.gz FIKFLPAKJRDOAY-KRWDZBQOSA-N 0 0 445.519 4.979 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000033297877 521196387 /nfs/dbraw/zinc/19/63/87/521196387.db2.gz CGCPOXIOYVQUGZ-KAMYIIQDSA-N 0 0 439.537 4.920 50 0 IJAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(S(=O)(=O)N(CC)CC)cc3)cs2)cc1 ZINC000012825577 521198207 /nfs/dbraw/zinc/19/82/07/521198207.db2.gz MUNOLCXKGZQOSC-UHFFFAOYSA-N 0 0 443.594 4.856 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000012596230 521245749 /nfs/dbraw/zinc/24/57/49/521245749.db2.gz AUOVXLCQTAEKPX-IGKIAQTJSA-N 0 0 443.547 4.800 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936231 521253816 /nfs/dbraw/zinc/25/38/16/521253816.db2.gz YWERSVVMNOFWCJ-WOJBJXKFSA-N 0 0 434.565 4.904 50 0 IJAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1cc(OC)c(O)c(OC)c1)CC3=O ZINC000012296955 521260576 /nfs/dbraw/zinc/26/05/76/521260576.db2.gz PFAIBQUINDLQBE-KRWDZBQOSA-N 0 0 438.476 4.873 50 0 biogenic IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3F)sc2c1 ZINC000021660930 521297065 /nfs/dbraw/zinc/29/70/65/521297065.db2.gz SETJKXDVYDXLGI-OAHLLOKOSA-N 0 0 440.475 4.941 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(F)c3F)sc2c1 ZINC000021660934 521298481 /nfs/dbraw/zinc/29/84/81/521298481.db2.gz JWPKRSXOCBQOQT-CQSZACIVSA-N 0 0 440.475 4.941 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)c(F)c3)sc2c1 ZINC000021661284 521298884 /nfs/dbraw/zinc/29/88/84/521298884.db2.gz DPVOYLQDVVRFMX-AWEZNQCLSA-N 0 0 440.475 4.941 50 0 IJAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)CC)c1 ZINC000036042501 521315023 /nfs/dbraw/zinc/31/50/23/521315023.db2.gz UFGQRJXXLXBYJV-UHFFFAOYSA-N 0 0 448.567 4.771 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(OC)c2)cc1 ZINC000033122062 521336272 /nfs/dbraw/zinc/33/62/72/521336272.db2.gz ZPUKGTNSIMBXIS-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)c2ccc(C)cc2)c1C ZINC000036003695 521363382 /nfs/dbraw/zinc/36/33/82/521363382.db2.gz CKAMKLUZAWQXMW-LJQANCHMSA-N 0 0 426.557 4.876 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C1=C(c2ccccc2)SCCO1 ZINC000012409277 521388153 /nfs/dbraw/zinc/38/81/53/521388153.db2.gz NTZXSGMNJZKGEV-UHFFFAOYSA-N 0 0 431.535 4.507 50 0 IJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012623362 521406286 /nfs/dbraw/zinc/40/62/86/521406286.db2.gz YBHVLKAECIMIOH-UHFFFAOYSA-N 0 0 434.627 4.825 50 0 IJAARN CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012817126 521470380 /nfs/dbraw/zinc/47/03/80/521470380.db2.gz LKLRNYHNGBWSRY-ZDUSSCGKSA-N 0 0 448.894 4.705 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1c(C)nc(SCc2cccc(Cl)c2)[nH]c1=O ZINC000035596852 521532924 /nfs/dbraw/zinc/53/29/24/521532924.db2.gz ADVJBKKICGIMAI-UHFFFAOYSA-N 0 0 443.956 4.604 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1ccccc1OC ZINC000035765919 521533425 /nfs/dbraw/zinc/53/34/25/521533425.db2.gz YQNGSBSPRRENDO-UHFFFAOYSA-N 0 0 434.536 4.678 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000022606431 521539485 /nfs/dbraw/zinc/53/94/85/521539485.db2.gz CSXSXHGUYYZWTG-UHFFFAOYSA-N 0 0 428.583 4.620 50 0 IJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)CC(C)(C)C)cc2)C(C(=O)OCC(C)C)=C1C ZINC000035729601 521539826 /nfs/dbraw/zinc/53/98/26/521539826.db2.gz JFEOHEXITBGVSL-OAQYLSRUSA-N 0 0 445.629 4.786 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccs4)CC2)n1)CC[C@@H](C)C3 ZINC000035866006 521543946 /nfs/dbraw/zinc/54/39/46/521543946.db2.gz WGGWRUHSUBOWAW-OAHLLOKOSA-N 0 0 440.638 4.793 50 0 IJAARN CCOc1ccccc1Oc1c(C)oc2c(ccc3c2CN(C[C@@H]2CCCO2)CO3)c1=O ZINC000012442635 521568625 /nfs/dbraw/zinc/56/86/25/521568625.db2.gz SUOZINHINFKQAJ-KRWDZBQOSA-N 0 0 437.492 4.623 50 0 biogenic IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(Cl)nc1 ZINC000012390430 521620570 /nfs/dbraw/zinc/62/05/70/521620570.db2.gz PZDMFRIZQNOCRS-UHFFFAOYSA-N 0 0 445.972 4.957 50 0 IJAARN CCCn1cnc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)cc3)cc(=O)n21 ZINC000021800932 521663716 /nfs/dbraw/zinc/66/37/16/521663716.db2.gz VBXFQFPSJFIAAP-UHFFFAOYSA-N 0 0 448.552 4.546 50 0 IJAARN CCS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1 ZINC000021694327 521689551 /nfs/dbraw/zinc/68/95/51/521689551.db2.gz LPUFQHJVOZACEF-UHFFFAOYSA-N 0 0 429.925 4.818 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000025277065 521695504 /nfs/dbraw/zinc/69/55/04/521695504.db2.gz DEGIIIBKIVFTFM-UHFFFAOYSA-N 0 0 442.422 4.634 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(OC)cc1 ZINC000020578371 521695759 /nfs/dbraw/zinc/69/57/59/521695759.db2.gz ZMSXLJRFAPFSQL-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(OC)cc1 ZINC000020578392 521695771 /nfs/dbraw/zinc/69/57/71/521695771.db2.gz MKQFSVLIMBHTTJ-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)Nc3ccccc3)cc2)C(C(=O)OCC)=C1C ZINC000035711349 521700508 /nfs/dbraw/zinc/70/05/08/521700508.db2.gz JGHPBKWFSSYTSI-NRFANRHFSA-N 0 0 436.512 4.644 50 0 IJAARN CCCN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021853476 521702668 /nfs/dbraw/zinc/70/26/68/521702668.db2.gz JIVBAMIDAINZMS-AREMUKBSSA-N 0 0 436.600 4.747 50 0 IJAARN CCCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(OC)c2)n1 ZINC000022815332 521703231 /nfs/dbraw/zinc/70/32/31/521703231.db2.gz DIZYMWHKBYMVAS-OAQYLSRUSA-N 0 0 436.537 4.813 50 0 IJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000035766091 521704632 /nfs/dbraw/zinc/70/46/32/521704632.db2.gz VMGCVGXBVFCHJK-UHFFFAOYSA-N 0 0 446.563 4.557 50 0 IJAARN CCN1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)C1=O ZINC000021169469 521731109 /nfs/dbraw/zinc/73/11/09/521731109.db2.gz YQVXGCYYKRUORS-FQEVSTJZSA-N 0 0 429.907 4.732 50 0 IJAARN COC(=O)c1c(C)c(C(=O)N2CCCC2)sc1NC(=O)c1ccc(Cl)cc1Cl ZINC000016426302 521751790 /nfs/dbraw/zinc/75/17/90/521751790.db2.gz BFKZLILATPYXFK-UHFFFAOYSA-N 0 0 441.336 4.638 50 0 IJAARN CCc1cccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)c1 ZINC000020939666 521752908 /nfs/dbraw/zinc/75/29/08/521752908.db2.gz VJSWAOWICSZOHX-UHFFFAOYSA-N 0 0 432.549 4.969 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885309 521763859 /nfs/dbraw/zinc/76/38/59/521763859.db2.gz JWGZRSXQFFFEDY-LJQANCHMSA-N 0 0 430.508 4.558 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)Nc1ccc(Br)cc1-2 ZINC000001159894 521798532 /nfs/dbraw/zinc/79/85/32/521798532.db2.gz RAMQVPBGIJUGJB-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1c(C)nn(Cc2ccc(F)cc2)c1C ZINC000017098023 521829052 /nfs/dbraw/zinc/82/90/52/521829052.db2.gz RTMJDEPGAJYQDJ-UHFFFAOYSA-N 0 0 432.546 4.653 50 0 IJAARN COc1cc(-c2cc(CN(CC(C)C)C(=O)c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000036012414 521896221 /nfs/dbraw/zinc/89/62/21/521896221.db2.gz GZBPPJMHGKGOMV-UHFFFAOYSA-N 0 0 438.524 4.974 50 0 IJAARN COC(=O)c1ccc(CSc2nc3oc(C)c(C)c3c(NC(=O)c3ccccc3)n2)o1 ZINC000012734001 522051520 /nfs/dbraw/zinc/05/15/20/522051520.db2.gz HLUPIZFUPTUBGK-UHFFFAOYSA-N 0 0 437.477 4.764 50 0 IJAARN COC(=O)c1ccc(CSc2ncc(CO)n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000035841308 522051689 /nfs/dbraw/zinc/05/16/89/522051689.db2.gz XVYVAPVAGFNOPJ-UHFFFAOYSA-N 0 0 436.455 4.521 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nccn2-c2ccc(Br)cc2)c1C ZINC000012603549 522061976 /nfs/dbraw/zinc/06/19/76/522061976.db2.gz CPCXZVJWEWGGGR-UHFFFAOYSA-N 0 0 448.386 4.675 50 0 IJAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(Cl)c1OC(C)C ZINC000012793459 522076663 /nfs/dbraw/zinc/07/66/63/522076663.db2.gz IDVPNUCYHBSHQA-GOSISDBHSA-N 0 0 431.916 4.884 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCC1 ZINC000035770286 522097729 /nfs/dbraw/zinc/09/77/29/522097729.db2.gz JDNIQRGBQBWXMI-MRXNPFEDSA-N 0 0 449.544 4.529 50 0 IJAARN COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 ZINC000012771003 522147935 /nfs/dbraw/zinc/14/79/35/522147935.db2.gz XVWUKEILLZWPBJ-JTQLQIEISA-N 0 0 431.794 4.560 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769180 522239586 /nfs/dbraw/zinc/23/95/86/522239586.db2.gz FBHSXQUNUYKUQJ-UHFFFAOYSA-N 0 0 448.998 4.862 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035724838 522309651 /nfs/dbraw/zinc/30/96/51/522309651.db2.gz KOOCYABWMGENGG-VQIMIIECSA-N 0 0 437.569 4.997 50 0 IJAARN COc1cc(CC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc(OC)c1OC ZINC000017371384 522314137 /nfs/dbraw/zinc/31/41/37/522314137.db2.gz QKLZXGDXHXXXHF-UHFFFAOYSA-N 0 0 439.577 4.896 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012919865 522434160 /nfs/dbraw/zinc/43/41/60/522434160.db2.gz YSQJFUPJZAKABA-GOSISDBHSA-N 0 0 440.609 4.728 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)NC(C)(C)C ZINC000035948882 522451758 /nfs/dbraw/zinc/45/17/58/522451758.db2.gz ISQQKIFXLHCONT-KRWDZBQOSA-N 0 0 432.977 4.519 50 0 IJAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012763347 522508029 /nfs/dbraw/zinc/50/80/29/522508029.db2.gz JXHAFPCYPYXQBX-UHFFFAOYSA-N 0 0 439.821 4.964 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531247 522515081 /nfs/dbraw/zinc/51/50/81/522515081.db2.gz UQPPHBQZYLTCNB-JOCHJYFZSA-N 0 0 434.923 4.863 50 0 IJAARN CN(CC(=O)Nc1ccccc1)C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000036010625 522515121 /nfs/dbraw/zinc/51/51/21/522515121.db2.gz GXJNSJWGPITDCP-UHFFFAOYSA-N 0 0 435.336 4.904 50 0 IJAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000020919858 522647425 /nfs/dbraw/zinc/64/74/25/522647425.db2.gz MKBNSHIMIZRLTN-ZDUSSCGKSA-N 0 0 446.956 4.773 50 0 IJAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NC1CCCCCC1 ZINC000020919818 522647661 /nfs/dbraw/zinc/64/76/61/522647661.db2.gz VVCBEBXTHWTYBA-UHFFFAOYSA-N 0 0 438.977 4.735 50 0 IJAARN COc1cc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl ZINC000012928786 522715811 /nfs/dbraw/zinc/71/58/11/522715811.db2.gz LKRLUHIWIPRQLP-NFQTVLRUSA-N 0 0 446.975 4.503 50 0 IJAARN CNc1snc(C)c1C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000012700888 522730433 /nfs/dbraw/zinc/73/04/33/522730433.db2.gz WIOCAEAHXBUVCD-UHFFFAOYSA-N 0 0 430.555 4.608 50 0 IJAARN COc1cc(OC)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1Cl ZINC000041076976 522804500 /nfs/dbraw/zinc/80/45/00/522804500.db2.gz MEGZODIILABJJW-UHFFFAOYSA-N 0 0 443.931 4.889 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000012039828 522844726 /nfs/dbraw/zinc/84/47/26/522844726.db2.gz RRVRXHNBJQCHBR-UHFFFAOYSA-N 0 0 437.323 4.502 50 0 IJAARN COc1cc(OC)cc(C2=N/C(=C\c3ccc(OC)c(OCc4ccccc4)c3)C(=O)O2)c1 ZINC000035045405 522858003 /nfs/dbraw/zinc/85/80/03/522858003.db2.gz LZPQBTWKOUUHGO-JJFYIABZSA-N 0 0 445.471 4.636 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021935812 522913954 /nfs/dbraw/zinc/91/39/54/522913954.db2.gz DOUFOIJGYAITGV-VQTJNVASSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(F)cc1 ZINC000021935820 522915823 /nfs/dbraw/zinc/91/58/23/522915823.db2.gz BICPQAZGWQKTDA-OALUTQOASA-N 0 0 438.528 4.591 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(C)C ZINC000021725680 522960349 /nfs/dbraw/zinc/96/03/49/522960349.db2.gz ZZAXJBJTMRKKKK-MRXNPFEDSA-N 0 0 448.548 5.000 50 0 IJAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCCC3)nn1-c1ccccc1Cl)C2 ZINC000020737525 523020766 /nfs/dbraw/zinc/02/07/66/523020766.db2.gz NGJMPWZCQKBBPP-UHFFFAOYSA-N 0 0 437.927 4.740 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)Nc1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036041084 523036520 /nfs/dbraw/zinc/03/65/20/523036520.db2.gz BVHVTYNPUQQIQO-XMMPIXPASA-N 0 0 445.563 4.933 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1)N(Cc1ccccc1C)CC2 ZINC000036041047 523046776 /nfs/dbraw/zinc/04/67/76/523046776.db2.gz WZYFQCDKSLSKGZ-VWLOTQADSA-N 0 0 444.575 4.850 50 0 IJAARN COc1cc2oc3ccccc3c2cc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc43)CN2C1=O ZINC000012661880 523073951 /nfs/dbraw/zinc/07/39/51/523073951.db2.gz UARWBYGRPWWZOD-NRFANRHFSA-N 0 0 437.455 4.969 50 0 biogenic IJAARN COc1ccc(-c2c(C)c3cc(OCC(=O)OC(C)(C)C)ccc3oc2=O)cc1OC ZINC000011866212 523075571 /nfs/dbraw/zinc/07/55/71/523075571.db2.gz NYULXCIXLIIHJO-UHFFFAOYSA-N 0 0 426.465 4.506 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021935800 523078769 /nfs/dbraw/zinc/07/87/69/523078769.db2.gz DOUFOIJGYAITGV-UXHICEINSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021935895 523079060 /nfs/dbraw/zinc/07/90/60/523079060.db2.gz LFGNKUYENQRIQX-UXHICEINSA-N 0 0 434.565 4.760 50 0 IJAARN CCn1c(-c2nnc(SCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)o2)cc2ccccc21 ZINC000033317948 523089454 /nfs/dbraw/zinc/08/94/54/523089454.db2.gz LNGZFCMTESNPGE-CQSZACIVSA-N 0 0 446.536 4.557 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4c(C)cccc4C)nc3n2)cc1 ZINC000021727559 523103797 /nfs/dbraw/zinc/10/37/97/523103797.db2.gz FBBHYHSIJGXFLI-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN CCn1c(C)c(C(=O)CN(C(=O)c2cccc(F)c2)C2CCCCC2)c(C)c1C(=O)OC ZINC000036018674 523123570 /nfs/dbraw/zinc/12/35/70/523123570.db2.gz HPDONVMESQMJFM-UHFFFAOYSA-N 0 0 442.531 4.708 50 0 IJAARN CC[C@@H](c1nc2ccccc2c(=O)n1CC)N(CCOC)C(=O)Nc1ccc(Cl)cc1 ZINC000035688648 523130314 /nfs/dbraw/zinc/13/03/14/523130314.db2.gz RNWLCSYRFXOGAL-FQEVSTJZSA-N 0 0 442.947 4.701 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000035684697 523152340 /nfs/dbraw/zinc/15/23/40/523152340.db2.gz KYYFUSFRXJLEFG-KRWDZBQOSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020733285 523153826 /nfs/dbraw/zinc/15/38/26/523153826.db2.gz MQONJGVZZCIUQK-KRWDZBQOSA-N 0 0 430.386 4.749 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012620057 523154545 /nfs/dbraw/zinc/15/45/45/523154545.db2.gz ZNICWSZVUHGYDM-QGZVFWFLSA-N 0 0 435.446 4.792 50 0 IJAARN COc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000012810361 523185698 /nfs/dbraw/zinc/18/56/98/523185698.db2.gz MOUYWRFYVJQLNZ-DEOSSOPVSA-N 0 0 426.476 4.865 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1OC ZINC000016027907 523196256 /nfs/dbraw/zinc/19/62/56/523196256.db2.gz OMQKTHJAQWDZNG-UHFFFAOYSA-N 0 0 433.327 4.771 50 0 IJAARN COc1ccc(-c2nc(CN(Cc3ccccc3)S(=O)(=O)c3cccs3)co2)cc1 ZINC000012758393 523199922 /nfs/dbraw/zinc/19/99/22/523199922.db2.gz KPBVHGHFMXFRTP-UHFFFAOYSA-N 0 0 440.546 4.803 50 0 IJAARN COc1ccc(-c2nnc(SCc3nnsc3Cl)n2-c2ccc(OC)cc2)cc1 ZINC000023280280 523264749 /nfs/dbraw/zinc/26/47/49/523264749.db2.gz LCPHSKQPCDMHCX-UHFFFAOYSA-N 0 0 445.957 4.749 50 0 IJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)n2)cc1 ZINC000015671104 523277369 /nfs/dbraw/zinc/27/73/69/523277369.db2.gz PBNOFCLPPJNOIF-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)cc1 ZINC000012382434 523283924 /nfs/dbraw/zinc/28/39/24/523283924.db2.gz JRMVRERCWUNGJZ-UHFFFAOYSA-N 0 0 430.302 4.559 50 0 IJAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1 ZINC000035447315 523297876 /nfs/dbraw/zinc/29/78/76/523297876.db2.gz LWTAGPQLZCSJAC-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN COc1ccc(-c2noc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)n2)cc1 ZINC000018960057 523298326 /nfs/dbraw/zinc/29/83/26/523298326.db2.gz RHZJOXWOOGOVIZ-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN COc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)cc1 ZINC000014609672 523342226 /nfs/dbraw/zinc/34/22/26/523342226.db2.gz QICZMYPCNRGADA-UHFFFAOYSA-N 0 0 449.308 4.958 50 0 IJAARN COCCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528306 523364714 /nfs/dbraw/zinc/36/47/14/523364714.db2.gz VCHXAEKLJMSCMJ-UHFFFAOYSA-N 0 0 446.576 4.538 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000012137925 523495275 /nfs/dbraw/zinc/49/52/75/523495275.db2.gz VJQWLGBUEOTNRK-CQSZACIVSA-N 0 0 440.721 4.921 50 0 IJAARN CC[C@](O)(c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868676 523532605 /nfs/dbraw/zinc/53/26/05/523532605.db2.gz ISPPOPNUNDOMIR-RTWAWAEBSA-N 0 0 438.793 4.816 50 0 IJAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012508232 523627915 /nfs/dbraw/zinc/62/79/15/523627915.db2.gz JNRNAHISCXWDRI-HXUWFJFHSA-N 0 0 426.563 4.699 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1Br ZINC000012753353 523645419 /nfs/dbraw/zinc/64/54/19/523645419.db2.gz XOZJOPKNJGAKHI-KRWDZBQOSA-N 0 0 432.314 4.596 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000020837016 523648591 /nfs/dbraw/zinc/64/85/91/523648591.db2.gz OKGTYPCHDAINAN-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000035889727 523710059 /nfs/dbraw/zinc/71/00/59/523710059.db2.gz LPNYMMQZCRCGRL-UHFFFAOYSA-N 0 0 434.971 4.939 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000035828543 523712543 /nfs/dbraw/zinc/71/25/43/523712543.db2.gz LYMYBYWUSHLSJM-LJQANCHMSA-N 0 0 426.568 4.686 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000012418083 523742986 /nfs/dbraw/zinc/74/29/86/523742986.db2.gz XIEANIJBMXCTAL-ZIAGYGMSSA-N 0 0 438.446 4.589 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1)c1ccccc1 ZINC000035887587 523763818 /nfs/dbraw/zinc/76/38/18/523763818.db2.gz HHJQPLOWGPNALE-QHCPKHFHSA-N 0 0 446.570 4.666 50 0 IJAARN COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000021821282 523781861 /nfs/dbraw/zinc/78/18/61/523781861.db2.gz WCJCGNPQBNCDAF-UHFFFAOYSA-N 0 0 436.407 4.713 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000021156755 523835823 /nfs/dbraw/zinc/83/58/23/523835823.db2.gz IIJHDUWFDNBRBT-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)cs2)cc1 ZINC000012790249 523859605 /nfs/dbraw/zinc/85/96/05/523859605.db2.gz SHMMZYAPZURRNQ-UHFFFAOYSA-N 0 0 443.956 4.745 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000035944407 523880672 /nfs/dbraw/zinc/88/06/72/523880672.db2.gz CTVUOZIWSIEQGN-QHCPKHFHSA-N 0 0 436.458 4.809 50 0 IJAARN CCc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000021531244 523939239 /nfs/dbraw/zinc/93/92/39/523939239.db2.gz NXOYLLRIQWLYOV-UHFFFAOYSA-N 0 0 432.549 4.718 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021811900 523964265 /nfs/dbraw/zinc/96/42/65/523964265.db2.gz XNNUJRFDCCXHKO-AREMUKBSSA-N 0 0 446.551 4.574 50 0 IJAARN CN(C)C(=O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000016102274 523969390 /nfs/dbraw/zinc/96/93/90/523969390.db2.gz XEVKJANRIFRUJP-XMHGGMMESA-N 0 0 439.309 4.568 50 0 IJAARN COc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CCN(C(C)=O)CC2)cc1 ZINC000020532289 523989791 /nfs/dbraw/zinc/98/97/91/523989791.db2.gz OVETYDBTPVZBHS-UHFFFAOYSA-N 0 0 449.473 4.759 50 0 IJAARN CCc1ccc(NC(=O)c2nc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000021727570 523993665 /nfs/dbraw/zinc/99/36/65/523993665.db2.gz GUUZNKNYZOJEAK-UHFFFAOYSA-N 0 0 441.413 4.633 50 0 IJAARN CN1CCc2c3ccccc3[nH]c2[C@@H]1CC(=O)C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000020758161 523997599 /nfs/dbraw/zinc/99/75/99/523997599.db2.gz STCPBUYCVAARLB-DQEYMECFSA-N 0 0 426.564 4.757 50 0 biogenic IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021107179 524021919 /nfs/dbraw/zinc/02/19/19/524021919.db2.gz CZUHUDKSYFZMDX-HXUWFJFHSA-N 0 0 435.352 4.552 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C ZINC000012869516 524043314 /nfs/dbraw/zinc/04/33/14/524043314.db2.gz NFEJZJYZQQCNKE-UHFFFAOYSA-N 0 0 434.414 4.875 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C)c2)cc1 ZINC000021362158 524065201 /nfs/dbraw/zinc/06/52/01/524065201.db2.gz WSGPWRBOLUCEEO-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 ZINC000012787141 524067849 /nfs/dbraw/zinc/06/78/49/524067849.db2.gz UYVVJRSIZTYLLE-UHFFFAOYSA-N 0 0 440.565 4.542 50 0 IJAARN Cc1ccc(C)c(CN(C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(C(C)C)cc2)c1 ZINC000021167280 524097236 /nfs/dbraw/zinc/09/72/36/524097236.db2.gz KEKWFCVCPLMPAE-FGZHOGPDSA-N 0 0 428.623 4.702 50 0 IJAARN Cc1ccc2sc(N3CCN(C(=O)c4ccc(Br)s4)CC3)nc2c1C ZINC000015882467 524101826 /nfs/dbraw/zinc/10/18/26/524101826.db2.gz WEEICYYUDWFBRQ-UHFFFAOYSA-N 0 0 436.400 4.700 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)nn2)c1 ZINC000035398424 524108513 /nfs/dbraw/zinc/10/85/13/524108513.db2.gz COCLMMJOPWPVFY-UHFFFAOYSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 ZINC000015975039 524139084 /nfs/dbraw/zinc/13/90/84/524139084.db2.gz OQJVTCRXPOLWCP-QGZVFWFLSA-N 0 0 434.562 4.639 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000021811373 524141362 /nfs/dbraw/zinc/14/13/62/524141362.db2.gz QPRNWNZDWQHSGN-VDABOFBKSA-N 0 0 425.573 4.867 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCc3nc4ccccc4c(C(=O)NCC(C)C)c3C2)c1 ZINC000021155049 524145708 /nfs/dbraw/zinc/14/57/08/524145708.db2.gz KMUAULQITKYOEX-UHFFFAOYSA-N 0 0 430.552 4.828 50 0 IJAARN Cc1cccc(-n2nnnc2S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000012683203 524148818 /nfs/dbraw/zinc/14/88/18/524148818.db2.gz ZUNDBYOBLPPIKW-NRFANRHFSA-N 0 0 433.512 4.890 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000021099903 524150583 /nfs/dbraw/zinc/15/05/83/524150583.db2.gz GKEDITWTMBSUPO-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1 ZINC000021795579 524152020 /nfs/dbraw/zinc/15/20/20/524152020.db2.gz QVVQZYNEEKHYDQ-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN Cc1ccc(C)c(OC[C@H](O)Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000012506099 524182737 /nfs/dbraw/zinc/18/27/37/524182737.db2.gz YWEQXIULSGOPDF-IFMALSPDSA-N 0 0 443.547 4.584 50 0 IJAARN Cc1ccc(C)c(OCc2nc(CCN(C)C(=O)c3ccccc3C(F)(F)F)no2)c1 ZINC000032961040 524184675 /nfs/dbraw/zinc/18/46/75/524184675.db2.gz JVTLBWXTWOGPFM-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c1OC ZINC000021788029 524187394 /nfs/dbraw/zinc/18/73/94/524187394.db2.gz MHXWPBZJZVWFQZ-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561928 524220223 /nfs/dbraw/zinc/22/02/23/524220223.db2.gz JUHBNGXWKZNMNT-VQTJNVASSA-N 0 0 431.580 4.794 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)Nc3cccc4ccccc43)CC2)s1 ZINC000020388738 524221761 /nfs/dbraw/zinc/22/17/61/524221761.db2.gz CCRAVLLBKZKUQJ-UHFFFAOYSA-N 0 0 431.565 4.954 50 0 IJAARN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012767406 524224014 /nfs/dbraw/zinc/22/40/14/524224014.db2.gz QXAHMGIAWPMCLI-UHFFFAOYSA-N 0 0 432.307 4.813 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398467 524241519 /nfs/dbraw/zinc/24/15/19/524241519.db2.gz RGKPEDVSPZJAJS-LJQANCHMSA-N 0 0 432.543 4.637 50 0 IJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCc3ccc(SC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777214 524255892 /nfs/dbraw/zinc/25/58/92/524255892.db2.gz DVYZUOHPQOJZGW-UHFFFAOYSA-N 0 0 438.593 4.914 50 0 IJAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4)o3)no2)c(C)c1 ZINC000021721621 524281716 /nfs/dbraw/zinc/28/17/16/524281716.db2.gz RJKPCQLZOYXYPS-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000021529552 524283834 /nfs/dbraw/zinc/28/38/34/524283834.db2.gz LQILNIOAFNDJLI-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2ccccc2F)[C@@H]1C ZINC000020679841 524305317 /nfs/dbraw/zinc/30/53/17/524305317.db2.gz CMDXPQYOCAAKAJ-DNVFCKCGSA-N 0 0 441.616 4.643 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)Cc2ccccc2)C1 ZINC000035835428 524373990 /nfs/dbraw/zinc/37/39/90/524373990.db2.gz UTKMWQWJXIWWAF-OAQYLSRUSA-N 0 0 432.495 4.599 50 0 IJAARN COc1ccccc1CC(=O)NC[C@H]1Cc2cc(C)cc(-c3cc(C(C)=O)ccc3F)c2O1 ZINC000012125531 524382692 /nfs/dbraw/zinc/38/26/92/524382692.db2.gz ACCYYLSIRZBTNI-OAQYLSRUSA-N 0 0 447.506 4.675 50 0 IJAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000035912336 524389704 /nfs/dbraw/zinc/38/97/04/524389704.db2.gz KDCJHHALOGIBBU-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@H]2c2cccnc2)cc1 ZINC000035225357 524401799 /nfs/dbraw/zinc/40/17/99/524401799.db2.gz JQCWYXMBRPSKDQ-LOSJGSFVSA-N 0 0 443.547 4.738 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000035533437 524421049 /nfs/dbraw/zinc/42/10/49/524421049.db2.gz GSRLYILXUZDLTJ-CYBMUJFWSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1 ZINC000012524875 524434198 /nfs/dbraw/zinc/43/41/98/524434198.db2.gz UBTIMPPIKPDMAD-MHZLTWQESA-N 0 0 443.591 4.952 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021862998 524435214 /nfs/dbraw/zinc/43/52/14/524435214.db2.gz JRLRXFMKIXFRMA-HHHXNRCGSA-N 0 0 445.563 4.920 50 0 IJAARN COc1ccccc1CN1Cc2cc(NC(=O)OCc3ccccc3)ccc2O[C@H](C)C1=O ZINC000035885125 524458140 /nfs/dbraw/zinc/45/81/40/524458140.db2.gz ICSLUBASLZOCIQ-GOSISDBHSA-N 0 0 446.503 4.754 50 0 IJAARN COc1ccccc1CNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020728314 524463042 /nfs/dbraw/zinc/46/30/42/524463042.db2.gz JIBZJVPQHMGFRF-UCQKPKSFSA-N 0 0 448.519 4.631 50 0 IJAARN COc1ccccc1CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C)c1 ZINC000021362141 524478940 /nfs/dbraw/zinc/47/89/40/524478940.db2.gz UBFNSCLYGKSDFX-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(C)C)c(OC)c1 ZINC000018201306 524513285 /nfs/dbraw/zinc/51/32/85/524513285.db2.gz RQSORYQGDSTOGE-UHFFFAOYSA-N 0 0 440.569 4.658 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(F)cc2)cc1 ZINC000001417368 524513936 /nfs/dbraw/zinc/51/39/36/524513936.db2.gz ZTXUJCHLNJMURQ-UHFFFAOYSA-N 0 0 440.525 4.874 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3F)c2c1=O ZINC000035400350 524521495 /nfs/dbraw/zinc/52/14/95/524521495.db2.gz JPDAFPYNFPVWDT-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3cccc(F)c3)c2c1=O ZINC000035400678 524522967 /nfs/dbraw/zinc/52/29/67/524522967.db2.gz IOCVWSWBOZYDSP-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN Cc1cc(C)n(Cc2cccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)c2)n1 ZINC000020617731 524540135 /nfs/dbraw/zinc/54/01/35/524540135.db2.gz FJFMWXYJDSJOEP-UHFFFAOYSA-N 0 0 430.508 4.984 50 0 IJAARN COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c(OC)c1 ZINC000035446804 524541435 /nfs/dbraw/zinc/54/14/35/524541435.db2.gz ZNWZLDHOSVVOPV-UHFFFAOYSA-N 0 0 432.524 4.752 50 0 biogenic IJAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC000012458796 524546589 /nfs/dbraw/zinc/54/65/89/524546589.db2.gz WFXBAFUSILJGIW-HNNXBMFYSA-N 0 0 436.430 4.849 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1 ZINC000020942254 524555620 /nfs/dbraw/zinc/55/56/20/524555620.db2.gz KLCAARDAZDXJSO-UHFFFAOYSA-N 0 0 447.535 4.533 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccccc2F)n1 ZINC000021523679 524574982 /nfs/dbraw/zinc/57/49/82/524574982.db2.gz JDTZTQQRILQIRQ-QFIPXVFZSA-N 0 0 445.523 4.860 50 0 IJAARN Cc1cc(C)nc(SCc2nc3cc(NC(=O)c4ccc(Cl)nc4)ccc3n2C)n1 ZINC000012323871 524602132 /nfs/dbraw/zinc/60/21/32/524602132.db2.gz DGBLFEFDODOYCZ-UHFFFAOYSA-N 0 0 438.944 4.573 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1Cc1ccccc1 ZINC000012777100 524633759 /nfs/dbraw/zinc/63/37/59/524633759.db2.gz HLBIRUUAFRGMNH-UHFFFAOYSA-N 0 0 429.925 4.595 50 0 IJAARN Cc1cccc(NC(=O)Nc2cccc([C@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1 ZINC000035707667 524642919 /nfs/dbraw/zinc/64/29/19/524642919.db2.gz UDECEZDTJUMNNJ-OAQYLSRUSA-N 0 0 436.512 4.561 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1 ZINC000033068293 524643657 /nfs/dbraw/zinc/64/36/57/524643657.db2.gz BAZRGWDXKKTGHU-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)c1 ZINC000021936982 524653058 /nfs/dbraw/zinc/65/30/58/524653058.db2.gz BFNHLYZAZJSTHY-OXJNMPFZSA-N 0 0 434.565 4.760 50 0 IJAARN Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CCC(=O)N2)cc1 ZINC000012338052 524668720 /nfs/dbraw/zinc/66/87/20/524668720.db2.gz NYFNIGKKBLNPBS-LVXARBLLSA-N 0 0 447.604 4.940 50 0 IJAARN Cc1ccc(C[C@]2(CCC(=O)NCC(c3ccccc3)c3ccccc3)CCC(=O)N2)cc1 ZINC000014995334 524688466 /nfs/dbraw/zinc/68/84/66/524688466.db2.gz IJSDHYFVQQEUPD-LJAQVGFWSA-N 0 0 440.587 4.915 50 0 IJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000015883369 524728473 /nfs/dbraw/zinc/72/84/73/524728473.db2.gz FLEIYQUUBLRWLO-MRXNPFEDSA-N 0 0 445.469 4.705 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccco2)c1 ZINC000012786893 524785563 /nfs/dbraw/zinc/78/55/63/524785563.db2.gz AFVWWAGAEYBDBK-UHFFFAOYSA-N 0 0 440.521 4.807 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc32)c1 ZINC000012688745 524795707 /nfs/dbraw/zinc/79/57/07/524795707.db2.gz GACLSXRYDRZEOU-UHFFFAOYSA-N 0 0 425.488 4.759 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012568839 524796169 /nfs/dbraw/zinc/79/61/69/524796169.db2.gz RVAIXILMGPAWMG-UHFFFAOYSA-N 0 0 443.459 4.538 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000016944360 524851235 /nfs/dbraw/zinc/85/12/35/524851235.db2.gz AGTQYMSRPAIGSK-UHFFFAOYSA-N 0 0 437.443 4.639 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950688 524860480 /nfs/dbraw/zinc/86/04/80/524860480.db2.gz JLUABABDTRSOKG-UHFFFAOYSA-N 0 0 434.471 4.681 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)c1 ZINC000035672172 524867460 /nfs/dbraw/zinc/86/74/60/524867460.db2.gz GGOBUQDAXUVYJB-UHFFFAOYSA-N 0 0 427.526 4.541 50 0 IJAARN COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1 ZINC000020892642 524899186 /nfs/dbraw/zinc/89/91/86/524899186.db2.gz GWCIPELFDXSYOX-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)cc1F ZINC000021657717 524925356 /nfs/dbraw/zinc/92/53/56/524925356.db2.gz MGXXFHVXZZKXRY-UHFFFAOYSA-N 0 0 432.423 4.748 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000021863768 524930616 /nfs/dbraw/zinc/93/06/16/524930616.db2.gz MMMQAKUUBPZREY-SANMLTNESA-N 0 0 431.536 4.843 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1C ZINC000021810939 524931473 /nfs/dbraw/zinc/93/14/73/524931473.db2.gz FSLRHWMKNOMGGZ-GTIOVZTQSA-N 0 0 433.552 4.965 50 0 IJAARN C[C@H](NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)C12CC3CC(CC(C3)C1)C2 ZINC000012542964 524967119 /nfs/dbraw/zinc/96/71/19/524967119.db2.gz KAKKQGLMIPHLRY-ZCZKMIILSA-N 0 0 435.564 4.728 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1 ZINC000021883516 524979059 /nfs/dbraw/zinc/97/90/59/524979059.db2.gz HEUPTVVLBPMJDG-IBGZPJMESA-N 0 0 430.508 4.694 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000012193929 524985640 /nfs/dbraw/zinc/98/56/40/524985640.db2.gz SDBJJRHQKPJVPH-IBGZPJMESA-N 0 0 436.531 4.531 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000012193938 524986973 /nfs/dbraw/zinc/98/69/73/524986973.db2.gz SDBJJRHQKPJVPH-LJQANCHMSA-N 0 0 436.531 4.531 50 0 IJAARN Cc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cc(Cl)ccc2n1 ZINC000001073356 525002089 /nfs/dbraw/zinc/00/20/89/525002089.db2.gz AKPBPQPPVHZIEX-UHFFFAOYSA-N 0 0 443.938 4.616 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4cccc(C)c4)o3)no2)cc1 ZINC000021721642 525040375 /nfs/dbraw/zinc/04/03/75/525040375.db2.gz DQVRJWDFFSRXRN-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4C)o3)no2)cc1 ZINC000021721513 525040390 /nfs/dbraw/zinc/04/03/90/525040390.db2.gz RORAZEUNJYQAEG-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865253 525047789 /nfs/dbraw/zinc/04/77/89/525047789.db2.gz GRFYQSAOGOHOOM-MRXNPFEDSA-N 0 0 446.620 4.964 50 0 IJAARN Cc1ccccc1C(=O)N1C[C@H](C(=O)NCC(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036041913 525050837 /nfs/dbraw/zinc/05/08/37/525050837.db2.gz XEDAHWAEKGQJAF-SFTDATJTSA-N 0 0 432.486 4.642 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c(F)c1 ZINC000035528305 525084708 /nfs/dbraw/zinc/08/47/08/525084708.db2.gz VGYMXMTYVACKJK-CYBMUJFWSA-N 0 0 431.562 4.501 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)C(C)(C)C)cc1 ZINC000012389907 525093256 /nfs/dbraw/zinc/09/32/56/525093256.db2.gz ROSYAHXVKAXUMR-UHFFFAOYSA-N 0 0 444.553 4.572 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC(C)CC2)cc1 ZINC000022573885 525095109 /nfs/dbraw/zinc/09/51/09/525095109.db2.gz IZHJVNNNMIORDF-UHFFFAOYSA-N 0 0 430.957 4.966 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000012783426 525098220 /nfs/dbraw/zinc/09/82/20/525098220.db2.gz DSFSYEJKTCLDBZ-OAQYLSRUSA-N 0 0 449.576 4.741 50 0 IJAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)Nc3ccc(CCO)cc3)c2)C1=O ZINC000035180900 525139909 /nfs/dbraw/zinc/13/99/09/525139909.db2.gz VTZBFXDINKTTMP-UHFFFAOYSA-N 0 0 443.547 4.614 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2cccs2)CC3)no1 ZINC000012816175 525149473 /nfs/dbraw/zinc/14/94/73/525149473.db2.gz OIPHBMDKBMICRI-NTCAYCPXSA-N 0 0 445.500 4.875 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccc(F)cc2)no1 ZINC000018022019 525158819 /nfs/dbraw/zinc/15/88/19/525158819.db2.gz HBALSFOEUCUZRZ-UHFFFAOYSA-N 0 0 448.483 4.582 50 0 IJAARN COc1ccc([C@@H](CNC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062419 525182581 /nfs/dbraw/zinc/18/25/81/525182581.db2.gz TYHLIVZCOURQNF-OAQYLSRUSA-N 0 0 447.510 4.956 50 0 IJAARN Cc1ccccc1CSc1nnc([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)n1C ZINC000012471211 525188316 /nfs/dbraw/zinc/18/83/16/525188316.db2.gz YXWSXDGPJZSAQF-INIZCTEOSA-N 0 0 441.000 4.978 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1OCc1cc(=O)n2ccccc2n1 ZINC000021156691 525188459 /nfs/dbraw/zinc/18/84/59/525188459.db2.gz FEDXHIWXDLQNMR-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)ccc1Br ZINC000020531213 525213401 /nfs/dbraw/zinc/21/34/01/525213401.db2.gz VXPHGOHSQNRHLU-JOCHJYFZSA-N 0 0 449.348 4.963 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000021622767 525242248 /nfs/dbraw/zinc/24/22/48/525242248.db2.gz SZEOHRFSYLSDGL-QHCPKHFHSA-N 0 0 442.515 4.588 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 ZINC000013006582 525243881 /nfs/dbraw/zinc/24/38/81/525243881.db2.gz ZXLQOKFEBGFJJA-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN Cc1cc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nn1Cc1ccccc1F ZINC000020616317 525248338 /nfs/dbraw/zinc/24/83/38/525248338.db2.gz JXBXUVOAECNXMS-UHFFFAOYSA-N 0 0 434.471 4.815 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)c(OC)c1 ZINC000023699262 525248496 /nfs/dbraw/zinc/24/84/96/525248496.db2.gz KKJXJCKTQBJUFJ-INIZCTEOSA-N 0 0 426.494 4.588 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000033114076 525249219 /nfs/dbraw/zinc/24/92/19/525249219.db2.gz SCEBDXKDFLFJDB-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041530 525257335 /nfs/dbraw/zinc/25/73/35/525257335.db2.gz WPYADPUEKHRDFP-GOTSBHOMSA-N 0 0 448.950 4.521 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC ZINC000020892769 525270699 /nfs/dbraw/zinc/27/06/99/525270699.db2.gz PINSILKJUHKBMA-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccccc1Nc1nnc(SCc2nc(N)nc(Nc3ccccc3C)n2)s1 ZINC000012634581 525277312 /nfs/dbraw/zinc/27/73/12/525277312.db2.gz PHQHVFYPNDJLLC-UHFFFAOYSA-N 0 0 436.570 4.702 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc5cc(C)ccc5nc4s3)CC2)cc1 ZINC000008609616 534850542 /nfs/dbraw/zinc/85/05/42/534850542.db2.gz BXYSXJNZGBDUEW-UHFFFAOYSA-N 0 0 429.545 4.923 50 0 IJAARN COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)cc1 ZINC000012697846 525370311 /nfs/dbraw/zinc/37/03/11/525370311.db2.gz KLQZOXXBTAZQSK-YADARESESA-N 0 0 434.923 4.607 50 0 IJAARN COc1ccc([C@H](NCC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 ZINC000012920917 525371861 /nfs/dbraw/zinc/37/18/61/525371861.db2.gz VWUGVUOMYSIIEO-JOCHJYFZSA-N 0 0 443.316 4.915 50 0 IJAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914638 525407844 /nfs/dbraw/zinc/40/78/44/525407844.db2.gz PAUAXZYLYGVPJC-HXUWFJFHSA-N 0 0 432.948 4.922 50 0 IJAARN Cc1cc(SCC(=O)Nc2cc(F)ccc2F)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070541 525434102 /nfs/dbraw/zinc/43/41/02/525434102.db2.gz WLWGECJODRGWPX-UHFFFAOYSA-N 0 0 428.439 4.853 50 0 IJAARN Cc1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000012917902 525438913 /nfs/dbraw/zinc/43/89/13/525438913.db2.gz NQOSWGJDOSXJPC-QGZVFWFLSA-N 0 0 426.925 4.527 50 0 IJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000012292597 525467546 /nfs/dbraw/zinc/46/75/46/525467546.db2.gz QDUHCOHSFYVOAO-LJQANCHMSA-N 0 0 438.549 4.819 50 0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)no1 ZINC000021718684 525492693 /nfs/dbraw/zinc/49/26/93/525492693.db2.gz FWZCWDSDNMGNJD-HNNXBMFYSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4ncccc43)cc2)cc1 ZINC000012764977 525498727 /nfs/dbraw/zinc/49/87/27/525498727.db2.gz IEEQXVVWPFXJDL-UHFFFAOYSA-N 0 0 431.517 4.621 50 0 IJAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl ZINC000012380886 525573653 /nfs/dbraw/zinc/57/36/53/525573653.db2.gz CUBYDPDYQIGGSQ-MRVPVSSYSA-N 0 0 442.151 4.606 50 0 IJAARN Cc1cc2c(cc1C)n(CC(=O)Nc1ccc(Cl)cc1)cc(C(=O)c1ccncc1)c2=O ZINC000035535159 525605267 /nfs/dbraw/zinc/60/52/67/525605267.db2.gz CWKYZXSQDQYOKM-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1c(C(=O)NCCCOC(C)C)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490095 525609630 /nfs/dbraw/zinc/60/96/30/525609630.db2.gz QDPFGRPPKOOKGE-UHFFFAOYSA-N 0 0 441.959 4.797 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C3=O)o1 ZINC000021810750 525616827 /nfs/dbraw/zinc/61/68/27/525616827.db2.gz CFXZZWOWNSZYPO-SANMLTNESA-N 0 0 433.552 4.715 50 0 IJAARN Cc1c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022508553 525630006 /nfs/dbraw/zinc/63/00/06/525630006.db2.gz LXRFYAWEEKPVHE-UHFFFAOYSA-N 0 0 436.581 4.884 50 0 IJAARN Cc1c(C(=O)NCc2ccccc2Cn2cccn2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022508226 525630584 /nfs/dbraw/zinc/63/05/84/525630584.db2.gz WXVZCSHADYVSGF-UHFFFAOYSA-N 0 0 433.581 4.780 50 0 IJAARN Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cnn1-c1ccc(Cl)cc1 ZINC000012607885 525660299 /nfs/dbraw/zinc/66/02/99/525660299.db2.gz HNGIOQCHYSPFNY-UHFFFAOYSA-N 0 0 431.323 4.576 50 0 IJAARN COc1ccc2nc(C)c(C(=O)OCC(=O)c3cc(C)n(-c4nc(C)cs4)c3C)cc2c1 ZINC000022133306 525662329 /nfs/dbraw/zinc/66/23/29/525662329.db2.gz LOZIPYHEUMRELU-UHFFFAOYSA-N 0 0 449.532 4.764 50 0 IJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n2o1 ZINC000041077221 525672832 /nfs/dbraw/zinc/67/28/32/525672832.db2.gz RYOHOHYLDZDXSQ-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)c(C)c1 ZINC000012569519 525673107 /nfs/dbraw/zinc/67/31/07/525673107.db2.gz GJHKGRPQETYWAX-UHFFFAOYSA-N 0 0 440.590 4.957 50 0 IJAARN Cc1cc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3Cl)cc(=O)n2o1 ZINC000041089658 525673338 /nfs/dbraw/zinc/67/33/38/525673338.db2.gz YKOLOPPWKNEQCZ-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN COc1ccc2nc(NC(=O)C3CCN(c4nc(-c5ccccc5C)no4)CC3)sc2c1 ZINC000035374899 525673442 /nfs/dbraw/zinc/67/34/42/525673442.db2.gz IWLFGOYDSWTKBD-UHFFFAOYSA-N 0 0 449.536 4.518 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)cc(=O)n2o1 ZINC000041089724 525675766 /nfs/dbraw/zinc/67/57/66/525675766.db2.gz PGCHDNYPRDHXSU-UHFFFAOYSA-N 0 0 438.484 4.980 50 0 IJAARN Cc1c(CN(C)C(=O)c2cc(COc3cccc4cnccc43)on2)[nH]c2ccccc12 ZINC000012198394 525702982 /nfs/dbraw/zinc/70/29/82/525702982.db2.gz PHUGNDAKRZVHQZ-UHFFFAOYSA-N 0 0 426.476 4.864 50 0 IJAARN COc1cccc(-c2nc(CN3CCC[C@H](C(=O)c4cccs4)C3)c(C)o2)c1OC ZINC000012300829 525723944 /nfs/dbraw/zinc/72/39/44/525723944.db2.gz VLCMVIXDWHHXFB-INIZCTEOSA-N 0 0 426.538 4.824 50 0 IJAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1cccc(Cl)c1 ZINC000012894139 525726680 /nfs/dbraw/zinc/72/66/80/525726680.db2.gz JJGFLSVWYACXRE-CQSZACIVSA-N 0 0 428.989 4.839 50 0 IJAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000012852930 525727078 /nfs/dbraw/zinc/72/70/78/525727078.db2.gz TYELSABDDBGJBQ-CQSZACIVSA-N 0 0 428.989 4.839 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2Cc2ccco2)c1 ZINC000013805601 525734270 /nfs/dbraw/zinc/73/42/70/525734270.db2.gz XRJANIIXSSTZQE-UHFFFAOYSA-N 0 0 448.548 4.943 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)nn2)cc1 ZINC000035398537 525753249 /nfs/dbraw/zinc/75/32/49/525753249.db2.gz WWQMRTIRMWDUBS-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN COc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)c1 ZINC000020848550 525754900 /nfs/dbraw/zinc/75/49/00/525754900.db2.gz YYEUYODMYIBLFM-UHFFFAOYSA-N 0 0 448.552 4.653 50 0 IJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3NC2=O)c1 ZINC000020734288 525765688 /nfs/dbraw/zinc/76/56/88/525765688.db2.gz MROXXQBRPPTZDA-WSDLNYQXSA-N 0 0 434.492 4.850 50 0 IJAARN COc1cccc(C(=O)COC(=O)c2ccc(Cl)cc2NC(=O)c2cccs2)c1 ZINC000025279511 525784296 /nfs/dbraw/zinc/78/42/96/525784296.db2.gz DTGYJDFSPBOCPN-UHFFFAOYSA-N 0 0 429.881 4.702 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000012999620 525789347 /nfs/dbraw/zinc/78/93/47/525789347.db2.gz CXQWZANFTRHFEQ-CQSZACIVSA-N 0 0 445.386 4.946 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1cccc(F)c1 ZINC000021863191 525792261 /nfs/dbraw/zinc/79/22/61/525792261.db2.gz SLZMKOMCMAPAJA-SANMLTNESA-N 0 0 449.526 4.751 50 0 IJAARN Cc1ccc(-c2nc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)no2)cc1 ZINC000012733622 525817070 /nfs/dbraw/zinc/81/70/70/525817070.db2.gz KRZSSVHBCUBGPS-UHFFFAOYSA-N 0 0 436.541 4.560 50 0 IJAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)c1OC ZINC000012441996 525831891 /nfs/dbraw/zinc/83/18/91/525831891.db2.gz WYOLAEFCXRRICU-UHFFFAOYSA-N 0 0 438.484 4.713 50 0 IJAARN C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012800588 525885606 /nfs/dbraw/zinc/88/56/06/525885606.db2.gz PVRWEHFAJJZJMX-ZFGQVMFLSA-N 0 0 438.568 4.648 50 0 IJAARN C[C@H](OC(=O)c1c2c(sc1-n1cccc1)CSCC2)C(=O)Nc1ccccc1F ZINC000012568952 525888539 /nfs/dbraw/zinc/88/85/39/525888539.db2.gz KPHVSWJUNKCIMT-ZDUSSCGKSA-N 0 0 430.526 4.651 50 0 IJAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021855729 525928297 /nfs/dbraw/zinc/92/82/97/525928297.db2.gz ZNALQUARSOSSQP-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000021121551 525934223 /nfs/dbraw/zinc/93/42/23/525934223.db2.gz BYQPJCOOTSATNZ-LSDHHAIUSA-N 0 0 433.426 4.717 50 0 IJAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(SC)cc3)C2)c1 ZINC000012469164 525968317 /nfs/dbraw/zinc/96/83/17/525968317.db2.gz DNWLHCWPWOFNRD-SFHVURJKSA-N 0 0 441.597 4.758 50 0 IJAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)C2(c4ccc(Cl)cc4)CCC2)O3)n1 ZINC000012182771 525983464 /nfs/dbraw/zinc/98/34/64/525983464.db2.gz IRCSDRVGPPSCFN-JOCHJYFZSA-N 0 0 447.966 4.955 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000033169558 525995781 /nfs/dbraw/zinc/99/57/81/525995781.db2.gz XOADMTVENSPIHH-UHFFFAOYSA-N 0 0 432.549 4.631 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000012647952 526003883 /nfs/dbraw/zinc/00/38/83/526003883.db2.gz MYJSCJHPZLRBBQ-UZLBHIALSA-N 0 0 425.529 4.988 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000012647956 526005407 /nfs/dbraw/zinc/00/54/07/526005407.db2.gz MYJSCJHPZLRBBQ-JXFKEZNVSA-N 0 0 425.529 4.988 50 0 IJAARN CSc1ccc(Cl)c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000029804957 526011594 /nfs/dbraw/zinc/01/15/94/526011594.db2.gz WQZRMILGCPYYGB-LJQANCHMSA-N 0 0 425.381 4.519 50 0 IJAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022798197 526023315 /nfs/dbraw/zinc/02/33/15/526023315.db2.gz XALDRAJQIJCLGR-RBZOQEBVSA-N 0 0 439.603 4.612 50 0 IJAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000017011240 526068906 /nfs/dbraw/zinc/06/89/06/526068906.db2.gz YYELMONQATUGJF-UHFFFAOYSA-N 0 0 438.409 4.669 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000011913709 526077581 /nfs/dbraw/zinc/07/75/81/526077581.db2.gz VTIMUBGNIHPXIR-VGSWGCGISA-N 0 0 435.545 4.856 50 0 IJAARN CSc1cccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 ZINC000012414813 526105315 /nfs/dbraw/zinc/10/53/15/526105315.db2.gz ZHWLYAWCWSHAJL-UHFFFAOYSA-N 0 0 428.510 4.883 50 0 IJAARN C[C@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc2ccoc21 ZINC000035844057 526109004 /nfs/dbraw/zinc/10/90/04/526109004.db2.gz PXAJVOMCGFUUGA-WOJBJXKFSA-N 0 0 441.531 4.830 50 0 IJAARN COc1cccc(Cn2nccc2NC(=O)C2c3ccccc3Oc3ccccc32)c1OC ZINC000012811809 526111399 /nfs/dbraw/zinc/11/13/99/526111399.db2.gz RLQZISXEHQIMLN-UHFFFAOYSA-N 0 0 441.487 4.825 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 ZINC000033067793 526128787 /nfs/dbraw/zinc/12/87/87/526128787.db2.gz JVRLLDAIHMPDNM-UHFFFAOYSA-N 0 0 432.505 4.639 50 0 IJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036043595 526139273 /nfs/dbraw/zinc/13/92/73/526139273.db2.gz IMHLVZAIIRIYAS-DQEYMECFSA-N 0 0 430.523 4.615 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)c(Cl)cc12 ZINC000022105670 526148077 /nfs/dbraw/zinc/14/80/77/526148077.db2.gz IWOOCCZICRSLKL-UHFFFAOYSA-N 0 0 447.940 4.740 50 0 IJAARN COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3c4ccccc4[nH]c3-c3ccccc3)CC2)c1 ZINC000020725385 526155063 /nfs/dbraw/zinc/15/50/63/526155063.db2.gz LVBQNTVNFGZYCQ-SANMLTNESA-N 0 0 441.531 4.791 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1 ZINC000012371594 526180409 /nfs/dbraw/zinc/18/04/09/526180409.db2.gz HBZACOKCRAEXPX-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN C[C@H](c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1-c1ccccc1)N1CCCCC1 ZINC000012522845 526189543 /nfs/dbraw/zinc/18/95/43/526189543.db2.gz KDLVVMZJYHYMDN-SBHAEUEKSA-N 0 0 441.645 4.601 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000012818564 526196184 /nfs/dbraw/zinc/19/61/84/526196184.db2.gz OTMYCZNEOFLRSR-QGZVFWFLSA-N 0 0 445.548 4.516 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000016045698 526211669 /nfs/dbraw/zinc/21/16/69/526211669.db2.gz ARBQLRDDOANIGF-UHFFFAOYSA-N 0 0 448.500 4.531 50 0 IJAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCc2cccc(F)c2)c1 ZINC000034922029 526212724 /nfs/dbraw/zinc/21/27/24/526212724.db2.gz RETVFMVRXAAGNM-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)n1Cc1ccco1 ZINC000012801937 526216919 /nfs/dbraw/zinc/21/69/19/526216919.db2.gz MLAPHOYNYCETOA-UHFFFAOYSA-N 0 0 430.291 4.646 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC000012577730 526218332 /nfs/dbraw/zinc/21/83/32/526218332.db2.gz OSLAREFRAHOGTR-SNVBAGLBSA-N 0 0 435.336 4.726 50 0 IJAARN CSc1ncccc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000015991063 526222853 /nfs/dbraw/zinc/22/28/53/526222853.db2.gz MBHCFCAFLCEJGY-UHFFFAOYSA-N 0 0 449.454 4.696 50 0 IJAARN Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1C ZINC000012712429 526249105 /nfs/dbraw/zinc/24/91/05/526249105.db2.gz DPCKMYBPLRRSMS-FQEVSTJZSA-N 0 0 430.504 4.519 50 0 IJAARN Cc1ccc2nc(COc3cccc(C(=O)NCc4ccc(OC(F)F)cc4)c3)cn2c1 ZINC000022375274 526249995 /nfs/dbraw/zinc/24/99/95/526249995.db2.gz CBWBTLITDPAXKJ-UHFFFAOYSA-N 0 0 437.446 4.753 50 0 IJAARN Cc1ccc2nc(N3CCN(C(=O)C(C)C)CC3)c(-c3noc(-c4ccccc4)n3)cc2c1 ZINC000033318231 526253528 /nfs/dbraw/zinc/25/35/28/526253528.db2.gz QWBGHEFHMZWWEU-UHFFFAOYSA-N 0 0 441.535 4.565 50 0 IJAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000012515839 526257361 /nfs/dbraw/zinc/25/73/61/526257361.db2.gz QRSYOKAFQSPEGW-UHFFFAOYSA-N 0 0 432.549 4.798 50 0 IJAARN Cc1nn(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466876 526267839 /nfs/dbraw/zinc/26/78/39/526267839.db2.gz NNHYKMIRMCYWNY-SBNSQYLKSA-N 0 0 435.593 4.641 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012599912 526289818 /nfs/dbraw/zinc/28/98/18/526289818.db2.gz KRYLFWDNMKMXPN-SOLBZPMBSA-N 0 0 431.964 4.536 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc12 ZINC000012776558 526297329 /nfs/dbraw/zinc/29/73/29/526297329.db2.gz YVNFPQMYJBCDPQ-SFHVURJKSA-N 0 0 442.972 4.734 50 0 IJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCCc4ccccc4)c3)n2)o1 ZINC000023454408 526315281 /nfs/dbraw/zinc/31/52/81/526315281.db2.gz MXKPJTNXZSAENO-UHFFFAOYSA-N 0 0 443.551 4.891 50 0 IJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)NCCc4cccc(Cl)c4)c3)n2)o1 ZINC000023457273 526315444 /nfs/dbraw/zinc/31/54/44/526315444.db2.gz SBMXXNHGQJRECD-UHFFFAOYSA-N 0 0 447.926 4.734 50 0 IJAARN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020738743 526315388 /nfs/dbraw/zinc/31/53/88/526315388.db2.gz ILWZBQMRNKDFCE-DEOSSOPVSA-N 0 0 433.939 4.918 50 0 IJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1 ZINC000012376633 526335885 /nfs/dbraw/zinc/33/58/85/526335885.db2.gz APPOGYLCRXHIRW-UHFFFAOYSA-N 0 0 427.548 4.990 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-c1cccc(C)c1 ZINC000009817159 526381144 /nfs/dbraw/zinc/38/11/44/526381144.db2.gz KMWRAKZKQNSZBW-UHFFFAOYSA-N 0 0 435.322 4.517 50 0 IJAARN O=C(CCC1CCN(C(=O)CCC(F)(F)F)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012301105 526408714 /nfs/dbraw/zinc/40/87/14/526408714.db2.gz RYEIGZTYRWNIKZ-UHFFFAOYSA-N 0 0 438.534 4.829 50 0 IJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000012921292 526469307 /nfs/dbraw/zinc/46/93/07/526469307.db2.gz YWPYHSIPFJTGOL-UHFFFAOYSA-N 0 0 445.306 4.565 50 0 IJAARN O=C(NC[C@@H]1CCCO1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000015769822 526515350 /nfs/dbraw/zinc/51/53/50/526515350.db2.gz MGFKOJWQHKROIX-BUFPPZMGSA-N 0 0 442.515 4.545 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 ZINC000012846986 526521711 /nfs/dbraw/zinc/52/17/11/526521711.db2.gz ISJVKSJPHQWECV-UHFFFAOYSA-N 0 0 432.442 4.791 50 0 IJAARN O=C(CCSCc1cn2ccccc2n1)Nc1nnc(SCc2ccccc2)s1 ZINC000012519890 526540155 /nfs/dbraw/zinc/54/01/55/526540155.db2.gz RRHVNNLWGJYNGS-UHFFFAOYSA-N 0 0 441.607 4.740 50 0 IJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000012852921 526619876 /nfs/dbraw/zinc/61/98/76/526619876.db2.gz FTPCZYPRVYOZPS-UHFFFAOYSA-N 0 0 425.579 4.736 50 0 IJAARN O=C(NC[C@H]1Cc2c(c(-c3ncccn3)ccc2F)O1)C(c1ccccc1)c1ccccc1 ZINC000012572063 526628517 /nfs/dbraw/zinc/62/85/17/526628517.db2.gz IZRGORYBGYYOPO-HXUWFJFHSA-N 0 0 439.490 4.535 50 0 IJAARN O=C(CCc1nnc(-c2ccccc2)o1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000021932946 526660620 /nfs/dbraw/zinc/66/06/20/526660620.db2.gz DFIRIYMOLVCKCT-UHFFFAOYSA-N 0 0 449.514 4.838 50 0 IJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c12 ZINC000022137462 526677961 /nfs/dbraw/zinc/67/79/61/526677961.db2.gz QKKIZGOXVVXXOL-KRWDZBQOSA-N 0 0 438.491 4.612 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(CN4C[C@H](C)C[C@@H](C)C4)cs3)c12 ZINC000022296496 526681572 /nfs/dbraw/zinc/68/15/72/526681572.db2.gz ORMRJAHDLCKUPG-CHWSQXEVSA-N 0 0 425.558 4.595 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(-c4cccc(Cl)c4)n3)ccc21)N1CCCCC1 ZINC000035460271 526681792 /nfs/dbraw/zinc/68/17/92/526681792.db2.gz CTFWBMGUZWRLIE-UHFFFAOYSA-N 0 0 435.915 4.809 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc21)N1CCCCC1 ZINC000035460315 526682351 /nfs/dbraw/zinc/68/23/51/526682351.db2.gz UMNPWTZQBZOZEY-UHFFFAOYSA-N 0 0 435.915 4.809 50 0 IJAARN Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000035887708 526729915 /nfs/dbraw/zinc/72/99/15/526729915.db2.gz LNPGNGHXFNUCEF-UHFFFAOYSA-N 0 0 448.533 4.788 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020470465 526750153 /nfs/dbraw/zinc/75/01/53/526750153.db2.gz UQROPZAEWVKAMF-UHFFFAOYSA-N 0 0 435.365 4.997 50 0 IJAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000022773957 526767272 /nfs/dbraw/zinc/76/72/72/526767272.db2.gz KPVOMXWJBSEOSM-NTEUORMPSA-N 0 0 425.576 4.547 50 0 IJAARN O=C(c1ccccc1Br)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000016183082 526801486 /nfs/dbraw/zinc/80/14/86/526801486.db2.gz VTDVVXNYHDUXPD-INIZCTEOSA-N 0 0 447.638 4.604 50 0 IJAARN O=C(c1cccn1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000012369139 526817348 /nfs/dbraw/zinc/81/73/48/526817348.db2.gz POGPEKWRRMDGHR-UHFFFAOYSA-N 0 0 447.356 4.994 50 0 IJAARN O=C(c1ccco1)N(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C1CCCC1 ZINC000034691981 526826311 /nfs/dbraw/zinc/82/63/11/526826311.db2.gz YCKBRJPUPNXGOB-FQEVSTJZSA-N 0 0 436.474 4.584 50 0 IJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000023082920 526842223 /nfs/dbraw/zinc/84/22/23/526842223.db2.gz IJIXQKIJWIVRJB-SNVBAGLBSA-N 0 0 432.263 4.929 50 0 IJAARN O=C(CNC(=S)N(Cc1ccccc1)Cc1ccccc1F)NC1CCCCCCC1 ZINC000020679817 526875334 /nfs/dbraw/zinc/87/53/34/526875334.db2.gz JWPLWGDTIFRQTP-UHFFFAOYSA-N 0 0 441.616 4.932 50 0 IJAARN O=C(c1cnsn1)N1CCC(n2c3ncccc3nc2-c2cccc3ccccc32)CC1 ZINC000012241840 526894307 /nfs/dbraw/zinc/89/43/07/526894307.db2.gz CDQICAJFWWLBCS-UHFFFAOYSA-N 0 0 440.532 4.580 50 0 IJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000023396764 526907698 /nfs/dbraw/zinc/90/76/98/526907698.db2.gz GAYOUXWYNRAMGG-UHFFFAOYSA-N 0 0 425.437 4.804 50 0 IJAARN O=C(COC(=O)c1ccccc1O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000012595191 526916975 /nfs/dbraw/zinc/91/69/75/526916975.db2.gz SFHCMLVJBXHSDB-PYBAQSHJSA-N 0 0 446.459 4.558 50 0 IJAARN O=C(c1nc2sccn2c1CN1CCC[C@@H]1c1nccs1)N1CCCCCCC1 ZINC000012305347 526919743 /nfs/dbraw/zinc/91/97/43/526919743.db2.gz WRGBVZOKCJTTCW-MRXNPFEDSA-N 0 0 429.615 4.596 50 0 IJAARN Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CCN(c4ccccn4)CC3)o2)cc1 ZINC000021916535 526935601 /nfs/dbraw/zinc/93/56/01/526935601.db2.gz CYEBUZZNSXEQHM-QFIPXVFZSA-N 0 0 431.927 4.697 50 0 IJAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc2c(c1)OCCCO2 ZINC000041105511 526945046 /nfs/dbraw/zinc/94/50/46/526945046.db2.gz IGRGWHAKEDRSAJ-UHFFFAOYSA-N 0 0 440.879 4.748 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399485 526952132 /nfs/dbraw/zinc/95/21/32/526952132.db2.gz HBYQWXCNOOVVRY-UHFFFAOYSA-N 0 0 425.891 4.592 50 0 biogenic IJAARN O=C(COc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000021038061 526952599 /nfs/dbraw/zinc/95/25/99/526952599.db2.gz XCENCOLCUCGWGI-OAQYLSRUSA-N 0 0 437.858 4.814 50 0 IJAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Cl)cc2Cl)n1 ZINC000035655390 526964829 /nfs/dbraw/zinc/96/48/29/526964829.db2.gz AGDCANLGZCXYOR-UHFFFAOYSA-N 0 0 431.327 4.576 50 0 IJAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002646292 526971789 /nfs/dbraw/zinc/97/17/89/526971789.db2.gz FDSCJLONUDAAMJ-UHFFFAOYSA-N 0 0 447.409 4.978 50 0 IJAARN O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012565166 527003501 /nfs/dbraw/zinc/00/35/01/527003501.db2.gz YOIWYXKTWBHLEJ-UHFFFAOYSA-N 0 0 447.804 4.505 50 0 IJAARN Clc1nc2ccccc2cc1CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000022358689 527007581 /nfs/dbraw/zinc/00/75/81/527007581.db2.gz BWWSHFNIIVVNTN-UHFFFAOYSA-N 0 0 436.968 4.956 50 0 IJAARN Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000012223819 527009228 /nfs/dbraw/zinc/00/92/28/527009228.db2.gz VMEIBLYHORBGQJ-UHFFFAOYSA-N 0 0 442.441 4.559 50 0 IJAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012855016 527010268 /nfs/dbraw/zinc/01/02/68/527010268.db2.gz GFJIDAOXRPCOOE-UZLBHIALSA-N 0 0 428.554 4.707 50 0 IJAARN Cc1nc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n(C[C@@H]2CCCO2)c1C ZINC000012733488 527017046 /nfs/dbraw/zinc/01/70/46/527017046.db2.gz FSLKABSGWBNSED-BJKOFHAPSA-N 0 0 449.620 4.871 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)n(C[C@H]2CCCO2)c1C ZINC000018596337 527022973 /nfs/dbraw/zinc/02/29/73/527022973.db2.gz YTEZWCOAUREMEM-WMLDXEAASA-N 0 0 438.391 4.561 50 0 IJAARN O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[nH]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021785002 527023505 /nfs/dbraw/zinc/02/35/05/527023505.db2.gz NTJKUBYHHDBLIL-AWEZNQCLSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@H](c2ccc(F)c(Br)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725696 527031333 /nfs/dbraw/zinc/03/13/33/527031333.db2.gz NERMNTOCYPDYNL-LLVKDONJSA-N 0 0 443.301 4.858 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)Nc1nccs1 ZINC000021149488 527059136 /nfs/dbraw/zinc/05/91/36/527059136.db2.gz VBMBHWJVZOLLHI-UHFFFAOYSA-N 0 0 444.538 4.875 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000021846537 527065087 /nfs/dbraw/zinc/06/50/87/527065087.db2.gz WRINHXYZEOVLJZ-INIZCTEOSA-N 0 0 449.001 4.565 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012533437 527075822 /nfs/dbraw/zinc/07/58/22/527075822.db2.gz BEGWTTRNINTQID-UHFFFAOYSA-N 0 0 426.517 4.987 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cccnc1 ZINC000012778975 527082887 /nfs/dbraw/zinc/08/28/87/527082887.db2.gz CRLHTDHVXZBSGT-UHFFFAOYSA-N 0 0 428.732 4.568 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccccc1F ZINC000012377055 527089281 /nfs/dbraw/zinc/08/92/81/527089281.db2.gz PPBDQVYXHCEOIB-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN O=C(CSc1nnnn1C1CCCC1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009637122 527094305 /nfs/dbraw/zinc/09/43/05/527094305.db2.gz SKAGXEXYPXKAMD-LJQANCHMSA-N 0 0 437.594 4.761 50 0 IJAARN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1Br ZINC000012822589 527099744 /nfs/dbraw/zinc/09/97/44/527099744.db2.gz KGIJSEIOYRWEDI-UHFFFAOYSA-N 0 0 429.293 4.825 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000014427215 527110472 /nfs/dbraw/zinc/11/04/72/527110472.db2.gz GSTFEJOTZUQFMK-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN Cn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000021356988 527113901 /nfs/dbraw/zinc/11/39/01/527113901.db2.gz LSIJOOODAJFWKL-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2OC(F)F)N1C[C@H]1CCCO1 ZINC000012597044 527134487 /nfs/dbraw/zinc/13/44/87/527134487.db2.gz OGTSDHXAZCRJNE-ACJLOTCBSA-N 0 0 440.393 4.635 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000012681601 527156787 /nfs/dbraw/zinc/15/67/87/527156787.db2.gz AZEGCNLDHXRARC-UHFFFAOYSA-N 0 0 437.543 4.789 50 0 IJAARN O=C(Nc1ccc(Br)cn1)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000012428501 527159280 /nfs/dbraw/zinc/15/92/80/527159280.db2.gz NWHOOQGAYPIKFU-UHFFFAOYSA-N 0 0 442.100 4.636 50 0 IJAARN Cc1nc2sc([C@H](c3ccccc3F)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626378 527206271 /nfs/dbraw/zinc/20/62/71/527206271.db2.gz JEHDZMUJCJZAOW-NRFANRHFSA-N 0 0 436.556 4.988 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(Cl)cc1 ZINC000020554898 527247015 /nfs/dbraw/zinc/24/70/15/527247015.db2.gz DHDQSGGBXBFSBQ-UHFFFAOYSA-N 0 0 442.972 4.978 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1)NCCc1ccccn1 ZINC000034686517 527266800 /nfs/dbraw/zinc/26/68/00/527266800.db2.gz DBAGKPGWYYPQHT-UHFFFAOYSA-N 0 0 441.575 4.706 50 0 IJAARN O=C(Cc1ccccc1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892159 527279123 /nfs/dbraw/zinc/27/91/23/527279123.db2.gz WNEKYTZTHBKPBE-UHFFFAOYSA-N 0 0 446.620 4.729 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000012344097 527289310 /nfs/dbraw/zinc/28/93/10/527289310.db2.gz LHISRSCMQDKXSX-FQEVSTJZSA-N 0 0 440.297 4.616 50 0 IJAARN Cn1cc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cccc(F)c2)c2ccccc21 ZINC000035891911 527292967 /nfs/dbraw/zinc/29/29/67/527292967.db2.gz UMXNVWHNTYHZGJ-NRFANRHFSA-N 0 0 430.479 4.885 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccc(Cl)cc1 ZINC000035375300 527336797 /nfs/dbraw/zinc/33/67/97/527336797.db2.gz LEIASCJFXREYNG-UHFFFAOYSA-N 0 0 435.336 4.953 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 ZINC000034924308 527345127 /nfs/dbraw/zinc/34/51/27/527345127.db2.gz QYWHLWGRLFDWOA-UHFFFAOYSA-N 0 0 440.352 4.686 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1ccccc1F ZINC000012414521 527353501 /nfs/dbraw/zinc/35/35/01/527353501.db2.gz GQFUOTXNYXSHRX-UHFFFAOYSA-N 0 0 425.822 4.634 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1ccc(F)c(F)c1 ZINC000012414531 527353547 /nfs/dbraw/zinc/35/35/47/527353547.db2.gz POKGNDOFCCOXMX-UHFFFAOYSA-N 0 0 443.812 4.773 50 0 IJAARN O=C(Cn1c2ccccc2nc1SCc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000012520442 527361555 /nfs/dbraw/zinc/36/15/55/527361555.db2.gz KBXZBQLAPLOZGX-FQEVSTJZSA-N 0 0 429.545 4.969 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 ZINC000022550526 527395032 /nfs/dbraw/zinc/39/50/32/527395032.db2.gz QIHVVCDOKHUTFG-UHFFFAOYSA-N 0 0 439.479 4.571 50 0 IJAARN O=C(Nc1ccccc1N1CCOCC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000012857179 527427841 /nfs/dbraw/zinc/42/78/41/527427841.db2.gz UZCFLBFZVGPDKS-UHFFFAOYSA-N 0 0 429.358 4.736 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccccc3F)nnc2n1Cc1ccc(F)cc1 ZINC000035529347 527472751 /nfs/dbraw/zinc/47/27/51/527472751.db2.gz NSXOWKSIPQYENV-UHFFFAOYSA-N 0 0 440.500 4.725 50 0 IJAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000035871309 527493588 /nfs/dbraw/zinc/49/35/88/527493588.db2.gz BTUZABDNGLHCGQ-FPOVZHCZSA-N 0 0 449.904 4.505 50 0 IJAARN O=C(NC1CCCC1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000035512258 527511251 /nfs/dbraw/zinc/51/12/51/527511251.db2.gz DNGXEJMYXRMMAU-UHFFFAOYSA-N 0 0 434.971 4.887 50 0 IJAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(CN2CCOCC2)cc1 ZINC000012734790 527514852 /nfs/dbraw/zinc/51/48/52/527514852.db2.gz QSRHSKIPZHOISK-UHFFFAOYSA-N 0 0 435.521 4.696 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882865 527516980 /nfs/dbraw/zinc/51/69/80/527516980.db2.gz ZKAJBZLRBJVONJ-UHFFFAOYSA-N 0 0 429.423 4.777 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S ZINC000012742356 527523064 /nfs/dbraw/zinc/52/30/64/527523064.db2.gz MVIBRBZWAMXSBR-UHFFFAOYSA-N 0 0 432.553 4.666 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000012885281 527527917 /nfs/dbraw/zinc/52/79/17/527527917.db2.gz IKYZTLUROZOPDS-AWEZNQCLSA-N 0 0 426.875 4.890 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 ZINC000012922063 527528145 /nfs/dbraw/zinc/52/81/45/527528145.db2.gz ZADHNCQTJCBGQF-UHFFFAOYSA-N 0 0 426.875 4.892 50 0 IJAARN O=C(NCC(F)(F)F)c1cncn1-c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000023334712 527555744 /nfs/dbraw/zinc/55/57/44/527555744.db2.gz GSUGJDPSPWGQDR-UHFFFAOYSA-N 0 0 429.320 4.730 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)nc(NC3CCC(NC(=O)C(C)C)CC3)c12 ZINC000036000375 527566209 /nfs/dbraw/zinc/56/62/09/527566209.db2.gz RFGJEQMHYVAZCB-UHFFFAOYSA-N 0 0 440.979 4.581 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020891307 527571384 /nfs/dbraw/zinc/57/13/84/527571384.db2.gz HFFGIWMGYWMQRF-SFHVURJKSA-N 0 0 428.489 4.843 50 0 IJAARN O=C(/C=C/c1cccc(Br)c1)OCC(=O)Nc1ccccc1C(F)(F)F ZINC000009665545 527624604 /nfs/dbraw/zinc/62/46/04/527624604.db2.gz DSZIAJACARKXLT-CMDGGOBGSA-N 0 0 428.204 4.663 50 0 IJAARN FC(F)(F)c1cccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)c1 ZINC000035622782 527684920 /nfs/dbraw/zinc/68/49/20/527684920.db2.gz ZSFMHKVGTXDRFI-UHFFFAOYSA-N 0 0 445.445 4.724 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009139957 535133281 /nfs/dbraw/zinc/13/32/81/535133281.db2.gz XEEUVSPUMHYZLL-UHFFFAOYSA-N 0 0 443.526 4.781 50 0 IJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCc1ccc(Cl)cc1 ZINC000002976420 535133328 /nfs/dbraw/zinc/13/33/28/535133328.db2.gz SIYLYYYTYAIUJA-UHFFFAOYSA-N 0 0 444.000 4.979 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c2ccccc12 ZINC000002887116 535391124 /nfs/dbraw/zinc/39/11/24/535391124.db2.gz XVLIOJKXILHWDE-UHFFFAOYSA-N 0 0 444.984 4.711 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)C1 ZINC000002921826 535525523 /nfs/dbraw/zinc/52/55/23/535525523.db2.gz ATFGLNAXUMJONC-GOSISDBHSA-N 0 0 435.593 4.940 50 0 IJAARN COc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c(OC)c1OC ZINC000003953509 536532142 /nfs/dbraw/zinc/53/21/42/536532142.db2.gz XEDFPCKJZLTWAH-UHFFFAOYSA-N 0 0 449.345 4.718 50 0 IJAARN COc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000002692848 536661069 /nfs/dbraw/zinc/66/10/69/536661069.db2.gz UTBYTLHBTSNFBW-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1 ZINC000000953853 536874564 /nfs/dbraw/zinc/87/45/64/536874564.db2.gz RVNJIFGJLGXRQJ-RIYZIHGNSA-N 0 0 444.531 4.763 50 0 IJAARN COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC ZINC000000624174 555511680 /nfs/dbraw/zinc/51/16/80/555511680.db2.gz ZSYWSWNAVLCUEA-UHFFFAOYSA-N 0 0 434.517 4.919 50 0 IJAARN O=C(COc1ccccc1)Nc1nnc(SCc2ccccc2Br)s1 ZINC000000624691 555511998 /nfs/dbraw/zinc/51/19/98/555511998.db2.gz GAHVUNYBLFNRLS-UHFFFAOYSA-N 0 0 436.356 4.610 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3c(=O)o1)C[C@@H](C)CC2 ZINC000000650177 555522651 /nfs/dbraw/zinc/52/26/51/555522651.db2.gz CAJLJXBJPMKUGL-ZDUSSCGKSA-N 0 0 425.506 4.797 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000000665321 555527971 /nfs/dbraw/zinc/52/79/71/555527971.db2.gz FNMUYZHVHLFYEC-HNNXBMFYSA-N 0 0 431.330 4.536 50 0 IJAARN CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)N(C)C1=S ZINC000000664739 555527995 /nfs/dbraw/zinc/52/79/95/555527995.db2.gz IWWVLTJILCLVQY-JAIQZWGSSA-N 0 0 427.932 4.902 50 0 IJAARN Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1cccs1 ZINC000000667112 555528962 /nfs/dbraw/zinc/52/89/62/555528962.db2.gz DXGOKGANQBLCQZ-UHFFFAOYSA-N 0 0 434.344 4.648 50 0 IJAARN COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2cnc(SC)nc2)cc1 ZINC000000667965 555529609 /nfs/dbraw/zinc/52/96/09/555529609.db2.gz RHQXWYUGQWMZSF-RWEWTDSWSA-N 0 0 448.573 4.776 50 0 IJAARN COc1ccc(Br)c([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000000668382 555529934 /nfs/dbraw/zinc/52/99/34/555529934.db2.gz AASZCXOXZKEFCS-INIZCTEOSA-N 0 0 431.315 4.535 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)c1ccccc1 ZINC000000670115 555530456 /nfs/dbraw/zinc/53/04/56/555530456.db2.gz BBGWKVUFKDYANS-CQSZACIVSA-N 0 0 433.847 4.569 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000674299 555533171 /nfs/dbraw/zinc/53/31/71/555533171.db2.gz JTHZGKSHNRNWBZ-TZMCWYRMSA-N 0 0 442.800 4.859 50 0 IJAARN CCN(C(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1 ZINC000000676485 555534924 /nfs/dbraw/zinc/53/49/24/555534924.db2.gz CTMBZWUIWQLHTC-UHFFFAOYSA-N 0 0 427.136 4.952 50 0 IJAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000000682901 555538236 /nfs/dbraw/zinc/53/82/36/555538236.db2.gz AYOHVMYHPNGSTK-RYUDHWBXSA-N 0 0 427.136 4.856 50 0 IJAARN COc1cccc(C(=O)Nc2sc3c(c2C(=O)NCCc2ccccc2)CCCC3)c1 ZINC000000702506 555543338 /nfs/dbraw/zinc/54/33/38/555543338.db2.gz HDFNCXGBTBLYKU-UHFFFAOYSA-N 0 0 434.561 4.860 50 0 IJAARN CN(C(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)c1ccccc1 ZINC000000709693 555546810 /nfs/dbraw/zinc/54/68/10/555546810.db2.gz CHSUNMZRCKFQDV-UHFFFAOYSA-N 0 0 439.544 4.783 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000000729200 555552196 /nfs/dbraw/zinc/55/21/96/555552196.db2.gz YMSBHOSRUDSSKF-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc2c1CCCC2 ZINC000000729990 555552908 /nfs/dbraw/zinc/55/29/08/555552908.db2.gz LMZNOAFDJVVYJK-UHFFFAOYSA-N 0 0 438.343 4.584 50 0 IJAARN CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000000731831 555553131 /nfs/dbraw/zinc/55/31/31/555553131.db2.gz XMNUVMNYGRZIKT-UHFFFAOYSA-N 0 0 434.970 4.633 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000000783155 555555494 /nfs/dbraw/zinc/55/54/94/555555494.db2.gz ZDTLOLLUWXNNLN-XMMPIXPASA-N 0 0 444.535 4.854 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000000803447 555559548 /nfs/dbraw/zinc/55/95/48/555559548.db2.gz JWXNJYIQJVBOBC-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN COC(=O)c1cn(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c2ccccc12 ZINC000000815272 555561311 /nfs/dbraw/zinc/56/13/11/555561311.db2.gz NNMVNEDPMCGVGS-UHFFFAOYSA-N 0 0 446.413 4.764 50 0 IJAARN CCc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000817165 555563154 /nfs/dbraw/zinc/56/31/54/555563154.db2.gz NXAKDPBOHOSVPJ-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000839826 555567916 /nfs/dbraw/zinc/56/79/16/555567916.db2.gz HMRAKUWFHDFRMS-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OCC)c1OCC ZINC000000847205 555569890 /nfs/dbraw/zinc/56/98/90/555569890.db2.gz BXDPFYUUWAHNAS-UHFFFAOYSA-N 0 0 438.480 4.980 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc2ccccc2c1=O ZINC000009440684 555570805 /nfs/dbraw/zinc/57/08/05/555570805.db2.gz DAIXYLJCZKQGDJ-UHFFFAOYSA-N 0 0 431.517 4.940 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000000866995 555574400 /nfs/dbraw/zinc/57/44/00/555574400.db2.gz SEVFEQHVMKODQT-KBPBESRZSA-N 0 0 442.800 4.859 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000869096 555574650 /nfs/dbraw/zinc/57/46/50/555574650.db2.gz ARXAAGUEDIKEAJ-UHFFFAOYSA-N 0 0 433.986 4.566 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)c1 ZINC000000884129 555578314 /nfs/dbraw/zinc/57/83/14/555578314.db2.gz KEYJRPUGJSYOTD-MSOLQXFVSA-N 0 0 432.402 4.510 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)c1 ZINC000000884184 555578670 /nfs/dbraw/zinc/57/86/70/555578670.db2.gz NYAPBWFNFGQALT-IRXDYDNUSA-N 0 0 436.459 4.544 50 0 IJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1cccs1 ZINC000000885337 555578965 /nfs/dbraw/zinc/57/89/65/555578965.db2.gz BLPQKYAMOKTJPZ-UHFFFAOYSA-N 0 0 435.496 4.731 50 0 IJAARN COc1cc(C(=O)Oc2cccc(Nc3ncnc4ccccc43)c2)cc(OC)c1OC ZINC000000914961 555583122 /nfs/dbraw/zinc/58/31/22/555583122.db2.gz ZTBRBKQPRFUXRC-UHFFFAOYSA-N 0 0 431.448 4.618 50 0 IJAARN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N[C@@H]1CCCc2ccccc21 ZINC000009396713 555583473 /nfs/dbraw/zinc/58/34/73/555583473.db2.gz VJUXETMZINZBAV-QGZVFWFLSA-N 0 0 431.464 4.624 50 0 IJAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000000938591 555586514 /nfs/dbraw/zinc/58/65/14/555586514.db2.gz VWACLERIKLHSEI-UHFFFAOYSA-N 0 0 446.315 4.742 50 0 IJAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 ZINC000000944529 555587996 /nfs/dbraw/zinc/58/79/96/555587996.db2.gz AUZDFXHFUORJRV-UHFFFAOYSA-N 0 0 433.485 4.660 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)c1C ZINC000000947677 555588219 /nfs/dbraw/zinc/58/82/19/555588219.db2.gz GERVZSHKDFIARL-LLVKDONJSA-N 0 0 443.594 4.913 50 0 IJAARN CCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccc(F)cc3)c(=O)c2cc1C ZINC000000947949 555588447 /nfs/dbraw/zinc/58/84/47/555588447.db2.gz SKHVBYUEIDHESW-UHFFFAOYSA-N 0 0 440.345 4.994 50 0 IJAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000000973436 555592090 /nfs/dbraw/zinc/59/20/90/555592090.db2.gz GNXCGDUKDLVPMZ-HNNXBMFYSA-N 0 0 443.739 4.651 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)NCc1ccco1 ZINC000000976347 555592255 /nfs/dbraw/zinc/59/22/55/555592255.db2.gz JFOSPBFMRRPQCX-UHFFFAOYSA-N 0 0 438.940 4.513 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)o1)CCCC2 ZINC000000983568 555594179 /nfs/dbraw/zinc/59/41/79/555594179.db2.gz QOSALLKAFUUCLA-UHFFFAOYSA-N 0 0 443.550 4.584 50 0 IJAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(I)cc1 ZINC000000989872 555595568 /nfs/dbraw/zinc/59/55/68/555595568.db2.gz XBXKULWBHVEEBR-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(N(C)C)cc3)nc2c1 ZINC000000990021 555595957 /nfs/dbraw/zinc/59/59/57/555595957.db2.gz CAQPZDYANMCLOY-UHFFFAOYSA-N 0 0 437.503 4.901 50 0 IJAARN CC(=O)COC(=O)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000000991733 555596568 /nfs/dbraw/zinc/59/65/68/555596568.db2.gz SFTJJVSIUNYTSP-UHFFFAOYSA-N 0 0 449.846 4.679 50 0 IJAARN Cc1cc(Br)cc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccccc3)nc12 ZINC000000993246 555597432 /nfs/dbraw/zinc/59/74/32/555597432.db2.gz QDCSTULVTUWHEZ-KRWDZBQOSA-N 0 0 425.326 4.882 50 0 IJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1I ZINC000000995435 555598334 /nfs/dbraw/zinc/59/83/34/555598334.db2.gz IZMHDPDILQVZFL-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000997465 555599326 /nfs/dbraw/zinc/59/93/26/555599326.db2.gz GGZYACIWNQYFRD-QHCPKHFHSA-N 0 0 429.545 4.957 50 0 IJAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000001004472 555600827 /nfs/dbraw/zinc/60/08/27/555600827.db2.gz RRNDNSKFTGDAPG-UHFFFAOYSA-N 0 0 433.512 4.810 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2C1 ZINC000001010417 555601705 /nfs/dbraw/zinc/60/17/05/555601705.db2.gz JQWOJYMLWBXBOQ-CQSZACIVSA-N 0 0 436.581 4.771 50 0 IJAARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1cc(F)c(Br)cc1F ZINC000001028003 555604935 /nfs/dbraw/zinc/60/49/35/555604935.db2.gz DWZHXLZNELDFEI-AWEZNQCLSA-N 0 0 432.673 4.805 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)c1 ZINC000001032250 555606163 /nfs/dbraw/zinc/60/61/63/555606163.db2.gz LJGXYZSWEKKKBV-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN C[C@@H](c1ccccc1)n1c(=O)[nH]nc1SCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000001034084 555607385 /nfs/dbraw/zinc/60/73/85/555607385.db2.gz LCCRGVDVDLCDMC-HNNXBMFYSA-N 0 0 435.553 4.821 50 0 IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000001044293 555610548 /nfs/dbraw/zinc/61/05/48/555610548.db2.gz GHSWYBPREWWVJA-UHFFFAOYSA-N 0 0 435.398 4.546 50 0 IJAARN Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccc(C(F)(F)F)cn1 ZINC000001047965 555611564 /nfs/dbraw/zinc/61/15/64/555611564.db2.gz SXUPYVFAWIYPQT-UHFFFAOYSA-N 0 0 427.473 4.610 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000001049563 555612644 /nfs/dbraw/zinc/61/26/44/555612644.db2.gz CDYRWBSYDKSVDA-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000001051234 555612947 /nfs/dbraw/zinc/61/29/47/555612947.db2.gz TVIFLOAUIRNTJD-UHFFFAOYSA-N 0 0 441.380 4.591 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)c1 ZINC000001050706 555613000 /nfs/dbraw/zinc/61/30/00/555613000.db2.gz UQCFJFGKOZMNTL-UHFFFAOYSA-N 0 0 440.308 4.791 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCc1cccnc1)c1ccccc1 ZINC000001052938 555613957 /nfs/dbraw/zinc/61/39/57/555613957.db2.gz QZBBSFPZMAVWGV-UHFFFAOYSA-N 0 0 425.897 4.835 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccsc1NC(=O)c1cc2ccccc2oc1=O ZINC000001056031 555614511 /nfs/dbraw/zinc/61/45/11/555614511.db2.gz FJWCKWXGFKBYTI-UHFFFAOYSA-N 0 0 434.473 4.758 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1)c1ccccc1 ZINC000001063111 555617043 /nfs/dbraw/zinc/61/70/43/555617043.db2.gz BWLXZVAGDLAKBY-QGZVFWFLSA-N 0 0 430.533 4.609 50 0 IJAARN CCc1nnc2sc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nn12 ZINC000001065360 555618129 /nfs/dbraw/zinc/61/81/29/555618129.db2.gz WTUBRLSVHPJKPD-UHFFFAOYSA-N 0 0 429.958 4.799 50 0 IJAARN COc1c(F)c(F)c(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c(F)c1F ZINC000001069431 555620215 /nfs/dbraw/zinc/62/02/15/555620215.db2.gz YAOUDWDESZJEHY-UHFFFAOYSA-N 0 0 430.357 4.990 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)Nc3c(-c4ccccc4)nc4ccccn43)nc2c1 ZINC000001074053 555622913 /nfs/dbraw/zinc/62/29/13/555622913.db2.gz MJVVAQOTMAGCJS-UHFFFAOYSA-N 0 0 429.505 4.617 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000001083973 555626300 /nfs/dbraw/zinc/62/63/00/555626300.db2.gz ZSDMJHSZOQBVRF-UHFFFAOYSA-N 0 0 448.903 4.606 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000001092965 555627523 /nfs/dbraw/zinc/62/75/23/555627523.db2.gz QEOSHMVYQJDVCF-OGKDHEGQSA-N 0 0 443.502 4.980 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 ZINC000001100450 555628775 /nfs/dbraw/zinc/62/87/75/555628775.db2.gz YNFANZKFGYWVAN-UHFFFAOYSA-N 0 0 430.942 4.851 50 0 IJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)N1CCCCC1 ZINC000001109060 555630496 /nfs/dbraw/zinc/63/04/96/555630496.db2.gz HDWUTRFUPTWAJT-BUHFOSPRSA-N 0 0 425.488 4.671 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1Br ZINC000001113025 555632988 /nfs/dbraw/zinc/63/29/88/555632988.db2.gz TUJAKDGQXOVKHK-UHFFFAOYSA-N 0 0 445.285 4.576 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2c1 ZINC000001115167 555634059 /nfs/dbraw/zinc/63/40/59/555634059.db2.gz NAJVHTVMDLNVOT-SOFGYWHQSA-N 0 0 427.334 4.659 50 0 IJAARN COc1cc(C=O)cc(I)c1OCc1c(Cl)cccc1Cl ZINC000001118414 555635776 /nfs/dbraw/zinc/63/57/76/555635776.db2.gz LWCIZNYSXAWMIN-UHFFFAOYSA-N 0 0 437.060 4.998 50 0 IJAARN O=C(OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1cc2ccccc2cc1O ZINC000001124358 555639590 /nfs/dbraw/zinc/63/95/90/555639590.db2.gz FPIYYLHQNSFUML-UHFFFAOYSA-N 0 0 432.497 4.876 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000001130211 555644032 /nfs/dbraw/zinc/64/40/32/555644032.db2.gz UTRZNXPIVMVEPB-LBPRGKRZSA-N 0 0 439.364 4.705 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000001133694 555646039 /nfs/dbraw/zinc/64/60/39/555646039.db2.gz IIKHXVFEDWGUHS-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000001135238 555646550 /nfs/dbraw/zinc/64/65/50/555646550.db2.gz UHVYFUAZWNAAKX-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN COc1ccccc1C(=O)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 ZINC000001137444 555647697 /nfs/dbraw/zinc/64/76/97/555647697.db2.gz VWOVLWHPDOUDRS-UHFFFAOYSA-N 0 0 435.530 4.927 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1-c1ccc(F)cc1 ZINC000001141463 555650267 /nfs/dbraw/zinc/65/02/67/555650267.db2.gz ZEPJFRYFVGJDQT-UHFFFAOYSA-N 0 0 435.322 4.517 50 0 IJAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(I)cc1 ZINC000001145172 555652596 /nfs/dbraw/zinc/65/25/96/555652596.db2.gz QHGLADGRXGCDCP-UHFFFAOYSA-N 0 0 426.304 4.632 50 0 IJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001145041 555652723 /nfs/dbraw/zinc/65/27/23/555652723.db2.gz JEGRXUFMJAFOKF-UHFFFAOYSA-N 0 0 440.878 4.809 50 0 IJAARN Cc1cc(I)ccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000001146119 555653515 /nfs/dbraw/zinc/65/35/15/555653515.db2.gz DISQITLEFKISSY-UHFFFAOYSA-N 0 0 446.313 4.880 50 0 IJAARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc(Br)cc2)C(=O)O[C@@H]1c1ccccc1 ZINC000001150339 555656119 /nfs/dbraw/zinc/65/61/19/555656119.db2.gz BPBIGKXXPPRDGP-XMSQKQJNSA-N 0 0 429.310 4.922 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001150885 555656344 /nfs/dbraw/zinc/65/63/44/555656344.db2.gz XGBBXCOWJXDVCA-SFHVURJKSA-N 0 0 440.590 4.772 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000001151127 555656464 /nfs/dbraw/zinc/65/64/64/555656464.db2.gz ZLQOCRQRBKPAFV-UHFFFAOYSA-N 0 0 434.348 4.707 50 0 IJAARN Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000001151693 555656693 /nfs/dbraw/zinc/65/66/93/555656693.db2.gz GASAMLUHWCNXRV-UHFFFAOYSA-N 0 0 438.952 4.750 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001152260 555656880 /nfs/dbraw/zinc/65/68/80/555656880.db2.gz XPWAIGYLALNZTO-UHFFFAOYSA-N 0 0 431.311 4.780 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000001152713 555657201 /nfs/dbraw/zinc/65/72/01/555657201.db2.gz NVTDVOJIFOKCPY-ZHACJKMWSA-N 0 0 444.969 4.883 50 0 IJAARN O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000001154114 555657882 /nfs/dbraw/zinc/65/78/82/555657882.db2.gz OUTPOWNOUXEPNS-UHFFFAOYSA-N 0 0 436.261 4.511 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 ZINC000001160209 555661481 /nfs/dbraw/zinc/66/14/81/555661481.db2.gz DOPYXECCSWZJCT-CYBMUJFWSA-N 0 0 447.553 4.718 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)C2CCCCC2)cc1 ZINC000001165840 555664142 /nfs/dbraw/zinc/66/41/42/555664142.db2.gz ZHSQSMDAWMQNTD-UHFFFAOYSA-N 0 0 434.989 4.919 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1Cl ZINC000001167603 555664982 /nfs/dbraw/zinc/66/49/82/555664982.db2.gz DVZLTRHZQLKSKI-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(Cl)cc2)cc1 ZINC000001169204 555665651 /nfs/dbraw/zinc/66/56/51/555665651.db2.gz KFTXLEDLABUIPZ-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001170538 555666207 /nfs/dbraw/zinc/66/62/07/555666207.db2.gz HQOLVTJPBAGJQH-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 ZINC000001174775 555669237 /nfs/dbraw/zinc/66/92/37/555669237.db2.gz MVZSAKWMRBUICI-UHFFFAOYSA-N 0 0 433.489 4.726 50 0 IJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000001175542 555669468 /nfs/dbraw/zinc/66/94/68/555669468.db2.gz AWIOTYHBRQTYCE-UHFFFAOYSA-N 0 0 441.516 4.910 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 ZINC000001181279 555671923 /nfs/dbraw/zinc/67/19/23/555671923.db2.gz LJFCYJMSBVWZBR-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(I)cc1 ZINC000001182722 555672523 /nfs/dbraw/zinc/67/25/23/555672523.db2.gz SGHGCBHMQWTJEA-UHFFFAOYSA-N 0 0 439.256 4.858 50 0 IJAARN Cc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1C ZINC000001183056 555672841 /nfs/dbraw/zinc/67/28/41/555672841.db2.gz JZYFPCJHWDDCGG-UHFFFAOYSA-N 0 0 444.725 4.688 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 ZINC000001186825 555674661 /nfs/dbraw/zinc/67/46/61/555674661.db2.gz GAWDCBYXWRAXFX-UHFFFAOYSA-N 0 0 437.546 4.859 50 0 IJAARN Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Br)cc4)cc3C2=O)c1 ZINC000001188857 555675209 /nfs/dbraw/zinc/67/52/09/555675209.db2.gz PUMWRHHNGQWCOS-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2Br)NC(=S)N1 ZINC000001188839 555675217 /nfs/dbraw/zinc/67/52/17/555675217.db2.gz ILSXYFANNGQOFW-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(C(=O)N[C@@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001193806 555676084 /nfs/dbraw/zinc/67/60/84/555676084.db2.gz WESKIWYHQZEKFY-MRXNPFEDSA-N 0 0 438.138 4.895 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000001206430 555680652 /nfs/dbraw/zinc/68/06/52/555680652.db2.gz SBMIOPNWGPJANL-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001207925 555681336 /nfs/dbraw/zinc/68/13/36/555681336.db2.gz ACVIGAYSIQYYKD-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccncc2)cc1 ZINC000001259920 555688098 /nfs/dbraw/zinc/68/80/98/555688098.db2.gz CDEBJBBBYDZYKU-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000001268183 555688705 /nfs/dbraw/zinc/68/87/05/555688705.db2.gz WGFOVVJLIRJBCA-VOTSOKGWSA-N 0 0 425.337 4.693 50 0 IJAARN COc1cccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)c1 ZINC000001322239 555690051 /nfs/dbraw/zinc/69/00/51/555690051.db2.gz UCKCPSODOHUIHD-VWNXMTODSA-N 0 0 439.540 4.824 50 0 biogenic,in-vitro IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cccc(C)c1 ZINC000001434657 555696486 /nfs/dbraw/zinc/69/64/86/555696486.db2.gz UWBNHUHGHRYTMJ-UHFFFAOYSA-N 0 0 428.554 4.856 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccc(F)cc1 ZINC000001446144 555699026 /nfs/dbraw/zinc/69/90/26/555699026.db2.gz BYRFKRUGSJPDKV-YADHBBJMSA-N 0 0 425.843 4.739 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccc(F)cc1 ZINC000001446143 555699062 /nfs/dbraw/zinc/69/90/62/555699062.db2.gz BYRFKRUGSJPDKV-FGZHOGPDSA-N 0 0 425.843 4.739 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000001471015 555701108 /nfs/dbraw/zinc/70/11/08/555701108.db2.gz AFQQFYSDGFGLPG-UHFFFAOYSA-N 0 0 440.293 4.706 50 0 IJAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000001786983 555715328 /nfs/dbraw/zinc/71/53/28/555715328.db2.gz NLYGFZKXFZRDNZ-STZFKDTASA-N 0 0 445.931 4.598 50 0 IJAARN Cc1cc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2c2ccccc12 ZINC000001927638 555725380 /nfs/dbraw/zinc/72/53/80/555725380.db2.gz FWQZLOWDHVYSIT-UHFFFAOYSA-N 0 0 427.327 4.684 50 0 IJAARN Cc1sc(NC(=O)c2cccc(I)c2)c(C(=O)OC(C)C)c1C ZINC000002102068 555742602 /nfs/dbraw/zinc/74/26/02/555742602.db2.gz KWDLRUAMWLUXBJ-UHFFFAOYSA-N 0 0 443.306 4.787 50 0 IJAARN O=C(Cc1cccc2ccccc21)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002136922 555747333 /nfs/dbraw/zinc/74/73/33/555747333.db2.gz JHKVJXMBGWDGBX-UHFFFAOYSA-N 0 0 445.588 4.958 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2I)cc1 ZINC000002145436 555749118 /nfs/dbraw/zinc/74/91/18/555749118.db2.gz KWIONVWDWCUGHQ-UHFFFAOYSA-N 0 0 438.334 4.716 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1c2c(sc1NC(C)=O)C[C@H](C(C)(C)C)CC2 ZINC000002182419 555754243 /nfs/dbraw/zinc/75/42/43/555754243.db2.gz BOOHHCJJJPERDK-CQSZACIVSA-N 0 0 428.554 4.896 50 0 IJAARN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000002228973 555760316 /nfs/dbraw/zinc/76/03/16/555760316.db2.gz APGNQBHGPKJCJT-UHFFFAOYSA-N 0 0 438.516 4.608 50 0 IJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000002309170 555767642 /nfs/dbraw/zinc/76/76/42/555767642.db2.gz HBWCVHRWOYOHED-UHFFFAOYSA-N 0 0 430.146 4.630 50 0 IJAARN COC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(C)c1)C(F)(F)F ZINC000002345447 555770470 /nfs/dbraw/zinc/77/04/70/555770470.db2.gz POYJSOXNMKGSQR-OAQYLSRUSA-N 0 0 432.398 4.715 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002356247 555771760 /nfs/dbraw/zinc/77/17/60/555771760.db2.gz HGLYEKJTDRNZLS-UHFFFAOYSA-N 0 0 440.550 4.696 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002363750 555772311 /nfs/dbraw/zinc/77/23/11/555772311.db2.gz TUYHGVRWNAIGLM-HSZRJFAPSA-N 0 0 441.483 4.869 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccco2)cc1 ZINC000002444329 555779935 /nfs/dbraw/zinc/77/99/35/555779935.db2.gz KVLJUGOCPNBSLJ-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000002447805 555780809 /nfs/dbraw/zinc/78/08/09/555780809.db2.gz YLEKWVKEYNLMIN-KRWDZBQOSA-N 0 0 434.562 4.585 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccco2)c1 ZINC000002451199 555781810 /nfs/dbraw/zinc/78/18/10/555781810.db2.gz MXUGYHNCIWZQTN-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC ZINC000002452825 555781989 /nfs/dbraw/zinc/78/19/89/555781989.db2.gz UPRVFYRYDSZPNW-UHFFFAOYSA-N 0 0 430.961 4.824 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccnc2)cc1 ZINC000002453616 555782399 /nfs/dbraw/zinc/78/23/99/555782399.db2.gz NDFDYQLNVMGAHT-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COc1ccc(C(=O)N=c2sc3c(n2CC(=O)c2ccc(Cl)cc2)CCCC3)cc1 ZINC000002546768 555786984 /nfs/dbraw/zinc/78/69/84/555786984.db2.gz ARGSSJMRSMCMTJ-BZZOAKBMSA-N 0 0 440.952 4.714 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccccn1 ZINC000034672368 555793550 /nfs/dbraw/zinc/79/35/50/555793550.db2.gz KNXLXOKDEOHVSA-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1ccccn1 ZINC000034675940 555794470 /nfs/dbraw/zinc/79/44/70/555794470.db2.gz GPMRCTPAFKJJIR-UHFFFAOYSA-N 0 0 427.548 4.664 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 ZINC000002695478 555799688 /nfs/dbraw/zinc/79/96/88/555799688.db2.gz XUELKORVLQLLAA-GOSISDBHSA-N 0 0 426.538 4.947 50 0 IJAARN CSc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1 ZINC000002693514 555799751 /nfs/dbraw/zinc/79/97/51/555799751.db2.gz ARXLLGTVXWMXST-UHFFFAOYSA-N 0 0 447.545 4.576 50 0 IJAARN Cc1cccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000034692756 555805328 /nfs/dbraw/zinc/80/53/28/555805328.db2.gz GJFOKMIJVVHCDH-UHFFFAOYSA-N 0 0 442.563 4.944 50 0 IJAARN COc1cc2c(cc1N1CC[C@@H](C(=O)N(C)Cc3ccccc3)C1=O)oc1ccccc12 ZINC000034696282 555810828 /nfs/dbraw/zinc/81/08/28/555810828.db2.gz SNALFGUQSQGBKU-IBGZPJMESA-N 0 0 428.488 4.606 50 0 IJAARN COc1cc2c(cc1N1CC[C@@H](C(=O)N3CCc4ccccc4C3)C1=O)oc1ccccc12 ZINC000034696280 555810976 /nfs/dbraw/zinc/81/09/76/555810976.db2.gz CUVZJXDXSBFAAU-FQEVSTJZSA-N 0 0 440.499 4.532 50 0 IJAARN Cc1cccc(-c2nnc3c4ccc(Cl)cc4nc(N4CC[NH+](CC(C)C)CC4)n23)c1 ZINC000034707915 555822397 /nfs/dbraw/zinc/82/23/97/555822397.db2.gz OBLOCGBJTQZKIH-UHFFFAOYSA-N 0 0 434.975 4.684 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000034708369 555823056 /nfs/dbraw/zinc/82/30/56/555823056.db2.gz NQQIOIXQYPKNFP-CLJLJLNGSA-N 0 0 448.607 4.809 50 0 IJAARN Cc1cccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)c1C ZINC000002815642 555828441 /nfs/dbraw/zinc/82/84/41/555828441.db2.gz VSDJCAAKISGIRE-UHFFFAOYSA-N 0 0 426.582 4.505 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713886 555829137 /nfs/dbraw/zinc/82/91/37/555829137.db2.gz VJVUCWGHTXTQRE-CLOONOSVSA-N 0 0 446.547 4.669 50 0 IJAARN COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 ZINC000002821645 555829826 /nfs/dbraw/zinc/82/98/26/555829826.db2.gz ZXRKUHZCDQJAEX-XMMPIXPASA-N 0 0 445.515 4.792 50 0 IJAARN COc1ccc(OCCSCc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000002824496 555830753 /nfs/dbraw/zinc/83/07/53/555830753.db2.gz FOOCNBMGAVNISE-UHFFFAOYSA-N 0 0 430.555 4.811 50 0 IJAARN COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)c(Cl)c1Cl ZINC000002842171 555836096 /nfs/dbraw/zinc/83/60/96/555836096.db2.gz SHXXFYPNHLQYGT-UHFFFAOYSA-N 0 0 440.801 4.867 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2N)c(C)c1 ZINC000002843142 555836340 /nfs/dbraw/zinc/83/63/40/555836340.db2.gz PMFNLZFMLXVMGP-UHFFFAOYSA-N 0 0 436.368 4.622 50 0 IJAARN COCCNC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc2c1CCCC2 ZINC000002842762 555836420 /nfs/dbraw/zinc/83/64/20/555836420.db2.gz QFTXMESFLBYEQI-UHFFFAOYSA-N 0 0 426.538 4.618 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2C)c1 ZINC000002846253 555837656 /nfs/dbraw/zinc/83/76/56/555837656.db2.gz AYIFREPZQVTXKD-UHFFFAOYSA-N 0 0 430.624 4.701 50 0 IJAARN Cc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1N1C(=O)c2ccccc2C1=O ZINC000002855865 555841372 /nfs/dbraw/zinc/84/13/72/555841372.db2.gz WKHKOYHMSAWGNU-UHFFFAOYSA-N 0 0 425.440 4.789 50 0 IJAARN CCOc1cc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc(OCC)c1OCC ZINC000002859448 555843544 /nfs/dbraw/zinc/84/35/44/555843544.db2.gz QUCNFKOHBDOFJC-UHFFFAOYSA-N 0 0 443.525 4.703 50 0 IJAARN C[C@H](NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000002859526 555843886 /nfs/dbraw/zinc/84/38/86/555843886.db2.gz FANZPRFWQZKWQE-JTQLQIEISA-N 0 0 427.382 4.967 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000002860790 555844522 /nfs/dbraw/zinc/84/45/22/555844522.db2.gz UZNPYXFDSFGIAB-UHFFFAOYSA-N 0 0 444.545 4.670 50 0 IJAARN Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4ccc5c(c4)OCO5)c23)cc1 ZINC000002861442 555844747 /nfs/dbraw/zinc/84/47/47/555844747.db2.gz IRTLKKIYSSVQED-UHFFFAOYSA-N 0 0 449.557 4.804 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)Nc3ccccc3)c2)c1 ZINC000002864785 555846747 /nfs/dbraw/zinc/84/67/47/555846747.db2.gz GTCZDRDLODTFFU-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(Cc3ccco3)c(=O)c2c1C ZINC000002865616 555847074 /nfs/dbraw/zinc/84/70/74/555847074.db2.gz JSYYSLFBYXQTFY-UHFFFAOYSA-N 0 0 428.510 4.830 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002873728 555851169 /nfs/dbraw/zinc/85/11/69/555851169.db2.gz VMLAWIAOMPQFFC-MAUKXSAKSA-N 0 0 430.386 4.524 50 0 IJAARN CN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002877379 555852973 /nfs/dbraw/zinc/85/29/73/555852973.db2.gz BQLVLLHHAZTTLW-UHFFFAOYSA-N 0 0 432.973 4.785 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000002879134 555853987 /nfs/dbraw/zinc/85/39/87/555853987.db2.gz FNHZLSDIPJVZGM-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN CCc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002882364 555856249 /nfs/dbraw/zinc/85/62/49/555856249.db2.gz GYBWLNVPOKTUAV-UHFFFAOYSA-N 0 0 444.503 4.670 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(Br)ccc1OC)Nc1ccccc1-2 ZINC000002906341 555861648 /nfs/dbraw/zinc/86/16/48/555861648.db2.gz MONGQPCTNUIPAN-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)C[C@H](c2ccc(F)c(C)c2)C1 ZINC000034716372 555865824 /nfs/dbraw/zinc/86/58/24/555865824.db2.gz UJZKTZPAQRBUCU-VQTJNVASSA-N 0 0 441.547 4.697 50 0 IJAARN CC(C)c1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002958134 555867295 /nfs/dbraw/zinc/86/72/95/555867295.db2.gz BFZFUGMTNTUBII-HXUWFJFHSA-N 0 0 436.577 4.883 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2cc(C)ccc2C)cc1 ZINC000002979764 555871524 /nfs/dbraw/zinc/87/15/24/555871524.db2.gz MWWJBFTXFYHRKM-UHFFFAOYSA-N 0 0 430.614 4.604 50 0 IJAARN COc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c1 ZINC000002986991 555874299 /nfs/dbraw/zinc/87/42/99/555874299.db2.gz SVRYJUDFHGHURQ-UHFFFAOYSA-N 0 0 448.544 4.997 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(OC)cc3NC(=O)C3CCCC3)C2=O)cc1 ZINC000034739734 555882667 /nfs/dbraw/zinc/88/26/67/555882667.db2.gz DUTKLYFTYSWHBE-UHFFFAOYSA-N 0 0 437.540 4.665 50 0 IJAARN CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000034737259 555888293 /nfs/dbraw/zinc/88/82/93/555888293.db2.gz PLEJMOBGHFPYAC-UHFFFAOYSA-N 0 0 434.462 4.988 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003137302 555890914 /nfs/dbraw/zinc/89/09/14/555890914.db2.gz SVCNWRZZXIJCSZ-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000034782806 555894891 /nfs/dbraw/zinc/89/48/91/555894891.db2.gz IHALYQZKTDNODG-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(Cc2ccncc2)CC3)CC1 ZINC000034755734 555901029 /nfs/dbraw/zinc/90/10/29/555901029.db2.gz KGQJQTZMMFZXSY-UHFFFAOYSA-N 0 0 433.531 4.598 50 0 IJAARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000003252444 555909405 /nfs/dbraw/zinc/90/94/05/555909405.db2.gz MERKMHNWKMNSAA-UHFFFAOYSA-N 0 0 429.476 4.817 50 0 IJAARN CCCCCc1ccc(C(=O)N2CCC3(CC2)Nc2cccc(Cl)c2C(=O)N3)cc1 ZINC000034811987 555909418 /nfs/dbraw/zinc/90/94/18/555909418.db2.gz ZAAJHDHVVJTALE-UHFFFAOYSA-N 0 0 425.960 4.861 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000034813487 555910394 /nfs/dbraw/zinc/91/03/94/555910394.db2.gz LISWRXUBJXVBSE-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN COc1ccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)CC2)cc1 ZINC000034813590 555910406 /nfs/dbraw/zinc/91/04/06/555910406.db2.gz ASQFZDXIXWFNHU-UHFFFAOYSA-N 0 0 441.531 4.575 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)c3cc(F)cc(F)c3)CC1)=Nc1ccccc1O2 ZINC000034813603 555910417 /nfs/dbraw/zinc/91/04/17/555910417.db2.gz BBEJKPVZWRKZGP-UHFFFAOYSA-N 0 0 433.458 4.915 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034814117 555910586 /nfs/dbraw/zinc/91/05/86/555910586.db2.gz ZPHCSQMVEYMJSO-UHFFFAOYSA-N 0 0 448.567 4.848 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc(-n2cccc2)cc1 ZINC000004121872 555965427 /nfs/dbraw/zinc/96/54/27/555965427.db2.gz VBSRBYPVPRJLGH-MUUNZHRXSA-N 0 0 436.511 4.527 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CCCOc2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000004290195 555983170 /nfs/dbraw/zinc/98/31/70/555983170.db2.gz ACBMSZJFKCVXEL-UHFFFAOYSA-N 0 0 433.526 4.516 50 0 IJAARN COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000022649845 556017228 /nfs/dbraw/zinc/01/72/28/556017228.db2.gz IBTLBXPTDZXHIU-HEFCMCLBSA-N 0 0 434.319 4.633 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000006359675 556085924 /nfs/dbraw/zinc/08/59/24/556085924.db2.gz KTTFMZVIIRHKMK-LDADJPATSA-N 0 0 446.359 4.851 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N(CCCn1ccnc1)c1nc2c(cccc2F)s1 ZINC000010579386 556094599 /nfs/dbraw/zinc/09/45/99/556094599.db2.gz VRXQABFMHREXSJ-UHFFFAOYSA-N 0 0 444.919 4.788 50 0 IJAARN CCOc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1OCC ZINC000006601850 556097797 /nfs/dbraw/zinc/09/77/97/556097797.db2.gz MDUSQFPCANWJPX-UHFFFAOYSA-N 0 0 433.917 4.820 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1cccc(OC)c1 ZINC000002691884 556120267 /nfs/dbraw/zinc/12/02/67/556120267.db2.gz PNRIFTCSFFOXMW-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000002712947 556122374 /nfs/dbraw/zinc/12/23/74/556122374.db2.gz NXBPUNMCXLSFMF-UHFFFAOYSA-N 0 0 431.513 4.870 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002703977 556123030 /nfs/dbraw/zinc/12/30/30/556123030.db2.gz OJLSEXHOBUIQBH-DEOSSOPVSA-N 0 0 441.483 4.951 50 0 IJAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000002720638 556127127 /nfs/dbraw/zinc/12/71/27/556127127.db2.gz RAEKDNPSDUGXDC-UHFFFAOYSA-N 0 0 444.491 4.737 50 0 IJAARN CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002722910 556128450 /nfs/dbraw/zinc/12/84/50/556128450.db2.gz LTPADVPULKMICK-MWTRTKDXSA-N 0 0 427.570 4.621 50 0 IJAARN O=C1CCCN1CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714044 556129399 /nfs/dbraw/zinc/12/93/99/556129399.db2.gz DVUNQWLEDMFUBD-UHFFFAOYSA-N 0 0 429.499 4.651 50 0 IJAARN Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)c1 ZINC000002716389 556130757 /nfs/dbraw/zinc/13/07/57/556130757.db2.gz ABSNJKHEIBCXIO-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000002717810 556131247 /nfs/dbraw/zinc/13/12/47/556131247.db2.gz PEQMKZFMVHUORC-UHFFFAOYSA-N 0 0 431.304 4.803 50 0 IJAARN CCn1ncc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)c1C(=O)N(C)C ZINC000002729959 556133832 /nfs/dbraw/zinc/13/38/32/556133832.db2.gz CRCHJOBTCAEXJT-UHFFFAOYSA-N 0 0 442.519 4.589 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc(C(=O)OC)c1 ZINC000002745573 556136385 /nfs/dbraw/zinc/13/63/85/556136385.db2.gz ITSKISPKNALMOQ-UHFFFAOYSA-N 0 0 446.484 4.789 50 0 IJAARN CC[C@@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C(F)(F)F)nn5C)nc4c23)C1 ZINC000002789530 556139150 /nfs/dbraw/zinc/13/91/50/556139150.db2.gz NKDISOGYGSKRBU-MRVPVSSYSA-N 0 0 440.882 4.927 50 0 IJAARN Cn1ncc(Br)c1-c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002798122 556141878 /nfs/dbraw/zinc/14/18/78/556141878.db2.gz HYSNMRHLGUDDFC-JTQLQIEISA-N 0 0 445.390 4.653 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000002795606 556145612 /nfs/dbraw/zinc/14/56/12/556145612.db2.gz SADNBBHRAJENGH-OAHLLOKOSA-N 0 0 441.457 4.883 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccc(-c3ccc(OC(F)F)cc3)n2)cc1 ZINC000002806820 556146356 /nfs/dbraw/zinc/14/63/56/556146356.db2.gz IKKQJDXKTBISBU-UHFFFAOYSA-N 0 0 431.464 4.875 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008385058 556160950 /nfs/dbraw/zinc/16/09/50/556160950.db2.gz RGBNXLBXECTJLN-SFHVURJKSA-N 0 0 431.941 4.533 50 0 IJAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3cccnc3)n1C)oc1ccccc12 ZINC000008385300 556161137 /nfs/dbraw/zinc/16/11/37/556161137.db2.gz NNQGMTNCXZDQOS-UHFFFAOYSA-N 0 0 445.504 4.516 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(Cl)cc2)cc1 ZINC000008461776 556186280 /nfs/dbraw/zinc/18/62/80/556186280.db2.gz IHBYOTTYXAXSJH-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000008599533 556190682 /nfs/dbraw/zinc/19/06/82/556190682.db2.gz OWOYMUIZUPVFDZ-HSZRJFAPSA-N 0 0 449.551 4.892 50 0 IJAARN O=S(=O)(NCCSCc1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000008618197 556192939 /nfs/dbraw/zinc/19/29/39/556192939.db2.gz KJSNTMLKAXSCBN-UHFFFAOYSA-N 0 0 427.872 4.710 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008716667 556202473 /nfs/dbraw/zinc/20/24/73/556202473.db2.gz VFDJUAJHQYBECF-YEJXKQKISA-N 0 0 448.375 4.958 50 0 IJAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000008720960 556202722 /nfs/dbraw/zinc/20/27/22/556202722.db2.gz MPIVZUUFIHBZMK-RCCKNPSSSA-N 0 0 434.879 4.536 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4cccnc43)c2)cc1F ZINC000008746761 556209990 /nfs/dbraw/zinc/20/99/90/556209990.db2.gz FRMQKDJBPQWVTP-UHFFFAOYSA-N 0 0 435.480 4.735 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)c1 ZINC000008829120 556225099 /nfs/dbraw/zinc/22/50/99/556225099.db2.gz BPRURHQGQIZUEX-UHFFFAOYSA-N 0 0 438.409 4.780 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1C(F)(F)F ZINC000008857615 556227723 /nfs/dbraw/zinc/22/77/23/556227723.db2.gz XANYVMCXWPYWKH-UHFFFAOYSA-N 0 0 426.394 4.874 50 0 IJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009095569 556246467 /nfs/dbraw/zinc/24/64/67/556246467.db2.gz CUDQUWGCUKZEFU-UHFFFAOYSA-N 0 0 436.895 4.655 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1C ZINC000009189603 556252689 /nfs/dbraw/zinc/25/26/89/556252689.db2.gz FOUOTXZPRCJRTP-HXUWFJFHSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000009196675 556254775 /nfs/dbraw/zinc/25/47/75/556254775.db2.gz MMKZNAHSEIQOLW-UHFFFAOYSA-N 0 0 429.520 4.806 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009197970 556256273 /nfs/dbraw/zinc/25/62/73/556256273.db2.gz VDZSVGNDWJADFI-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1C ZINC000009199445 556257136 /nfs/dbraw/zinc/25/71/36/556257136.db2.gz TVEUZTCXWHCEPC-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccc(F)cc1 ZINC000009225601 556259201 /nfs/dbraw/zinc/25/92/01/556259201.db2.gz ZQNMIWAFEQJPGZ-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3cccc(F)c3)c2c1 ZINC000009225196 556259220 /nfs/dbraw/zinc/25/92/20/556259220.db2.gz ULZATUSUAIXQKV-UHFFFAOYSA-N 0 0 445.494 4.708 50 0 IJAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1ccc(Cl)cc1Cl ZINC000009225145 556259252 /nfs/dbraw/zinc/25/92/52/556259252.db2.gz TZYWBTKUSQSGDX-UHFFFAOYSA-N 0 0 427.243 4.922 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225794 556259789 /nfs/dbraw/zinc/25/97/89/556259789.db2.gz OIBQYEIPOAAFID-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000009239599 556266076 /nfs/dbraw/zinc/26/60/76/556266076.db2.gz GURQFIFTQAWUAU-FCHUYYIVSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239646 556266358 /nfs/dbraw/zinc/26/63/58/556266358.db2.gz FIAKFFQYMASSEC-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CC[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)C1=O ZINC000009258978 556267283 /nfs/dbraw/zinc/26/72/83/556267283.db2.gz KHLSZAZZBCYBCW-SJPXOZHESA-N 0 0 440.521 4.548 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(O)c2)cc1 ZINC000009289258 556273790 /nfs/dbraw/zinc/27/37/90/556273790.db2.gz QIPLPDPCAJVZAO-HSZRJFAPSA-N 0 0 426.476 4.678 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009294975 556274326 /nfs/dbraw/zinc/27/43/26/556274326.db2.gz FUQOUMUBGSTDII-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000009295094 556274598 /nfs/dbraw/zinc/27/45/98/556274598.db2.gz UUYXOBVSMSUVQO-YADHBBJMSA-N 0 0 435.597 4.753 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295002 556274631 /nfs/dbraw/zinc/27/46/31/556274631.db2.gz HCXMVDPJIXBZPQ-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 ZINC000009296282 556275447 /nfs/dbraw/zinc/27/54/47/556275447.db2.gz WTXUNXGESIHQPL-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000013686905 556276640 /nfs/dbraw/zinc/27/66/40/556276640.db2.gz GQCKNANWURUHSB-UHFFFAOYSA-N 0 0 449.498 4.782 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000009309244 556278536 /nfs/dbraw/zinc/27/85/36/556278536.db2.gz JIPDXZSIQMRQFP-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN O=C(N[C@@H](C(=O)Nc1nccs1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013690137 556279342 /nfs/dbraw/zinc/27/93/42/556279342.db2.gz HVXCPOVHKCROEE-JOCHJYFZSA-N 0 0 427.529 4.771 50 0 IJAARN O=c1n2nc(-c3ccccc3)nc2c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000013690677 556280076 /nfs/dbraw/zinc/28/00/76/556280076.db2.gz MCMCZCZDIWZXSP-UHFFFAOYSA-N 0 0 430.508 4.839 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1C ZINC000013693158 556282645 /nfs/dbraw/zinc/28/26/45/556282645.db2.gz ZVBBRYMPBZPOTB-UHFFFAOYSA-N 0 0 440.565 4.535 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccc(OC)c1 ZINC000013718777 556288295 /nfs/dbraw/zinc/28/82/95/556288295.db2.gz NUVRXSPXXFTHHA-UHFFFAOYSA-N 0 0 440.565 4.917 50 0 IJAARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(OC(C)C)c2)no1 ZINC000009446582 556292548 /nfs/dbraw/zinc/29/25/48/556292548.db2.gz PUMPMHNIBFHNHL-JOCHJYFZSA-N 0 0 430.460 4.935 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cccs1 ZINC000009456967 556292812 /nfs/dbraw/zinc/29/28/12/556292812.db2.gz WYBTWKOAWDLLFU-UHFFFAOYSA-N 0 0 436.562 4.853 50 0 IJAARN COc1ccc2c(c1)CCc1cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)sc1-2 ZINC000032739412 556299752 /nfs/dbraw/zinc/29/97/52/556299752.db2.gz PZTZUFJZAACGDW-MRXNPFEDSA-N 0 0 444.560 4.936 50 0 IJAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000032740804 556302177 /nfs/dbraw/zinc/30/21/77/556302177.db2.gz JHFBYVJOSWZBIS-UHFFFAOYSA-N 0 0 447.998 4.986 50 0 IJAARN COc1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)ccc1OC(C)C ZINC000032740896 556302186 /nfs/dbraw/zinc/30/21/86/556302186.db2.gz IGYDOXHDEQNTAM-KRWDZBQOSA-N 0 0 439.581 4.611 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(O)ccc1Br)Nc1ccccc1-2 ZINC000009601793 556302788 /nfs/dbraw/zinc/30/27/88/556302788.db2.gz BBUDAMUOXNGHLU-MRXNPFEDSA-N 0 0 431.315 4.622 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000032744899 556302839 /nfs/dbraw/zinc/30/28/39/556302839.db2.gz NCESEQQSKMGHSI-HXUWFJFHSA-N 0 0 448.350 4.513 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000013786594 556309100 /nfs/dbraw/zinc/30/91/00/556309100.db2.gz SOBHCIWKRNGJGB-OFVILXPXSA-N 0 0 444.487 4.733 50 0 IJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000009805307 556309379 /nfs/dbraw/zinc/30/93/79/556309379.db2.gz VZMXGWUBWMEVOG-UHFFFAOYSA-N 0 0 448.585 4.547 50 0 IJAARN COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1Cl ZINC000013804438 556310837 /nfs/dbraw/zinc/31/08/37/556310837.db2.gz WHQLOMQKHIMPRL-UHFFFAOYSA-N 0 0 439.928 4.517 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(Cl)c1 ZINC000013803884 556310846 /nfs/dbraw/zinc/31/08/46/556310846.db2.gz FKNUIXXXSJRIDG-UHFFFAOYSA-N 0 0 437.956 4.876 50 0 IJAARN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@@H]2CSCN21 ZINC000013814238 556313836 /nfs/dbraw/zinc/31/38/36/556313836.db2.gz BJMYFYDEORNQRJ-AALWMKDKSA-N 0 0 440.568 4.814 50 0 IJAARN O=C(c1cccc(COc2ccc3ccccc3c2)c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000013881959 556326513 /nfs/dbraw/zinc/32/65/13/556326513.db2.gz FGFLFCCTIZVGHF-HSZRJFAPSA-N 0 0 446.400 4.840 50 0 IJAARN COc1cc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc(OC)c1OC ZINC000010156585 556326995 /nfs/dbraw/zinc/32/69/95/556326995.db2.gz IGMLWBCRLQNKNW-INIZCTEOSA-N 0 0 433.508 4.776 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013896605 556329595 /nfs/dbraw/zinc/32/95/95/556329595.db2.gz XKMIRLRKYWURSB-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCc1nnsc1Cl ZINC000032776122 556336988 /nfs/dbraw/zinc/33/69/88/556336988.db2.gz JZTPSHRVTQRZKQ-UHFFFAOYSA-N 0 0 445.795 4.612 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032560852 556337797 /nfs/dbraw/zinc/33/77/97/556337797.db2.gz VCVJVBNLOMQVTL-SFHVURJKSA-N 0 0 443.956 4.833 50 0 IJAARN O=C1N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000013942165 556339307 /nfs/dbraw/zinc/33/93/07/556339307.db2.gz GBJRUEXSSCWXNB-VIZOYTHASA-N 0 0 426.097 4.849 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)n1C1CCCCC1 ZINC000013942631 556340015 /nfs/dbraw/zinc/34/00/15/556340015.db2.gz FVBYVZCSCQFFGG-UHFFFAOYSA-N 0 0 429.571 4.646 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Br)NC(=S)N1 ZINC000013942689 556340033 /nfs/dbraw/zinc/34/00/33/556340033.db2.gz XGABAQVSTXWHCM-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN c1ccc(-c2nc3ccccn3c2CN2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000022921994 556340962 /nfs/dbraw/zinc/34/09/62/556340962.db2.gz TXXKVTHPHDNYRS-UHFFFAOYSA-N 0 0 439.588 4.929 50 0 IJAARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)COc2ccc(Cl)cc2)OCCO3)cc1 ZINC000013945483 556342768 /nfs/dbraw/zinc/34/27/68/556342768.db2.gz SCACBEHXMDIRML-UHFFFAOYSA-N 0 0 437.879 4.668 50 0 IJAARN COc1ccc2cc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccccn3)n(C)c2c1 ZINC000011664958 556345576 /nfs/dbraw/zinc/34/55/76/556345576.db2.gz JMLPHDQROMWQFU-AREMUKBSSA-N 0 0 436.515 4.851 50 0 IJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccc3c(c2)OCO3)n1 ZINC000011666179 556346050 /nfs/dbraw/zinc/34/60/50/556346050.db2.gz HDLRTMWQUILVHH-HHHXNRCGSA-N 0 0 439.515 4.707 50 0 IJAARN O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000011667764 556346482 /nfs/dbraw/zinc/34/64/82/556346482.db2.gz LOYMAPDZIWOZTD-VWLOTQADSA-N 0 0 445.494 4.539 50 0 IJAARN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000014010212 556354846 /nfs/dbraw/zinc/35/48/46/556354846.db2.gz YVHPQQUNZJXPFI-VQIMKDEXSA-N 0 0 432.879 4.758 50 0 IJAARN O=C(CN(Cc1cccs1)Cc1cccs1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000014017690 556356024 /nfs/dbraw/zinc/35/60/24/556356024.db2.gz LPCWHTMIZQDKPJ-UHFFFAOYSA-N 0 0 443.985 4.685 50 0 IJAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3ccn(C)n3)c2c1C ZINC000014066234 556359248 /nfs/dbraw/zinc/35/92/48/556359248.db2.gz NDDKTHBPPPKESL-UHFFFAOYSA-N 0 0 439.566 4.946 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2F)cc1 ZINC000014084535 556364309 /nfs/dbraw/zinc/36/43/09/556364309.db2.gz QEUDAGRMVFDVLN-SJORKVTESA-N 0 0 435.499 4.764 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000014092793 556365647 /nfs/dbraw/zinc/36/56/47/556365647.db2.gz UFNLRCJYNNRYJH-ROUUACIJSA-N 0 0 433.479 4.788 50 0 IJAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000011872961 556369443 /nfs/dbraw/zinc/36/94/43/556369443.db2.gz XGVMYQJDBREZNN-QHCPKHFHSA-N 0 0 445.563 4.689 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)cs1 ZINC000014116475 556370860 /nfs/dbraw/zinc/37/08/60/556370860.db2.gz JPEUXQZJXGETHN-UHFFFAOYSA-N 0 0 448.592 4.721 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)CC(C)(C)C)cc2)C(C(=O)OC(C)C)=C1C ZINC000004507609 556371250 /nfs/dbraw/zinc/37/12/50/556371250.db2.gz SWBZUJFXCQZCJV-FQEVSTJZSA-N 0 0 431.602 4.538 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014122012 556372241 /nfs/dbraw/zinc/37/22/41/556372241.db2.gz RVLQTQXXDJDNAA-SIKLNZKXSA-N 0 0 431.561 4.967 50 0 IJAARN COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(OC)c1 ZINC000014128665 556373789 /nfs/dbraw/zinc/37/37/89/556373789.db2.gz GAKNHBQFNZARIX-UHFFFAOYSA-N 0 0 447.560 4.949 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cccc(C(F)(F)F)c4)C3=O)ccc2c1 ZINC000014129676 556374921 /nfs/dbraw/zinc/37/49/21/556374921.db2.gz WFERWAIMUUWRMB-QFIPXVFZSA-N 0 0 428.410 4.834 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)Cc2ccccc2)c1 ZINC000014161926 556378600 /nfs/dbraw/zinc/37/86/00/556378600.db2.gz GZFPOVNPIZDWJY-UHFFFAOYSA-N 0 0 438.549 4.691 50 0 IJAARN CN(CCOc1ccc(Br)cc1)C(=O)CCCc1nc2ccccc2s1 ZINC000014168810 556380597 /nfs/dbraw/zinc/38/05/97/556380597.db2.gz FZLUKSHDBVMGQD-UHFFFAOYSA-N 0 0 433.371 4.919 50 0 IJAARN Cc1oc2cc(OCC(=O)NCc3ccccc3)ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000014184240 556384111 /nfs/dbraw/zinc/38/41/11/556384111.db2.gz BIBPYOLUSNCXKX-UHFFFAOYSA-N 0 0 433.435 4.728 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)c1 ZINC000014187686 556386683 /nfs/dbraw/zinc/38/66/83/556386683.db2.gz GMTIBAMFXXIFGW-LJQANCHMSA-N 0 0 428.533 4.569 50 0 IJAARN CC1(C)C[C@@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)CCO1 ZINC000012039910 556390425 /nfs/dbraw/zinc/39/04/25/556390425.db2.gz SCFCFCACASFSRQ-IRXDYDNUSA-N 0 0 433.470 4.997 50 0 IJAARN CC[C@@H](c1nnc(SCc2nc(-c3ccsc3)no2)n1Cc1ccccc1)N(C)C ZINC000014200565 556391103 /nfs/dbraw/zinc/39/11/03/556391103.db2.gz GXAYIBGVJYRBRP-KRWDZBQOSA-N 0 0 440.598 4.743 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)ccc1Br ZINC000032817117 556393188 /nfs/dbraw/zinc/39/31/88/556393188.db2.gz DJZYIILOYOOFHN-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000012055702 556394123 /nfs/dbraw/zinc/39/41/23/556394123.db2.gz NMEMFWQLPFYEGG-LJQANCHMSA-N 0 0 433.483 4.849 50 0 IJAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)c1 ZINC000012062024 556395109 /nfs/dbraw/zinc/39/51/09/556395109.db2.gz VLWHZFNSLJVBPT-HXUWFJFHSA-N 0 0 432.568 4.511 50 0 IJAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1nc2ccccc2n1C ZINC000012301376 556403355 /nfs/dbraw/zinc/40/33/55/556403355.db2.gz WVZRINIQXINAMC-HSZRJFAPSA-N 0 0 444.970 4.898 50 0 IJAARN Cc1nn2c(nc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c3ccccc32)c1Cl ZINC000014245517 556405239 /nfs/dbraw/zinc/40/52/39/556405239.db2.gz WTTIOCQTHLHCTM-UHFFFAOYSA-N 0 0 446.864 4.585 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000014246439 556406333 /nfs/dbraw/zinc/40/63/33/556406333.db2.gz IXLXRIVYZMLHJM-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN CCc1nnc2sc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nn12 ZINC000014273218 556411435 /nfs/dbraw/zinc/41/14/35/556411435.db2.gz LDYDXSDFJIZFNM-UHFFFAOYSA-N 0 0 441.944 4.865 50 0 IJAARN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032820505 556412438 /nfs/dbraw/zinc/41/24/38/556412438.db2.gz ASKHSEIXNCJNDT-UHFFFAOYSA-N 0 0 429.564 4.554 50 0 IJAARN CCCN(CC(=O)N1CC[C@@H](C)Sc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000032665040 556417046 /nfs/dbraw/zinc/41/70/46/556417046.db2.gz PUSDUOGFTWSTDT-MRXNPFEDSA-N 0 0 442.610 4.928 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n(C2CC2)c1C ZINC000032830980 556417070 /nfs/dbraw/zinc/41/70/70/556417070.db2.gz HYHGQDYYYCPCSA-KRWDZBQOSA-N 0 0 426.567 4.959 50 0 IJAARN O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000014517767 556419795 /nfs/dbraw/zinc/41/97/95/556419795.db2.gz PFCYALQCFUDKCZ-UHFFFAOYSA-N 0 0 443.956 4.705 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976412 556421855 /nfs/dbraw/zinc/42/18/55/556421855.db2.gz IEWOKHFTACPHHU-NAVXVDNBSA-N 0 0 431.374 4.595 50 0 IJAARN COc1ccc(-c2cc3ncn(CC(=O)N(Cc4ccccc4)C(C)C)c(=O)c3s2)cc1 ZINC000012979711 556423710 /nfs/dbraw/zinc/42/37/10/556423710.db2.gz LFHPZKZVXYHOLA-UHFFFAOYSA-N 0 0 447.560 4.571 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(F)cc1 ZINC000012980777 556424251 /nfs/dbraw/zinc/42/42/51/556424251.db2.gz MOHLZOMFCAOBSI-ZJUUUORDSA-N 0 0 446.857 4.899 50 0 IJAARN O=C(CN1CCN(C(=O)c2sc3ccccc3c2Cl)CC1)Nc1ccccc1Cl ZINC000012981551 556424508 /nfs/dbraw/zinc/42/45/08/556424508.db2.gz SHODHJCSOHQJHI-UHFFFAOYSA-N 0 0 448.375 4.605 50 0 IJAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992932 556428857 /nfs/dbraw/zinc/42/88/57/556428857.db2.gz GKOJTPOVIRBUCF-TXEJJXNPSA-N 0 0 426.355 4.775 50 0 IJAARN C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(F)cc1F ZINC000032847873 556430689 /nfs/dbraw/zinc/43/06/89/556430689.db2.gz UYWWQOMOWAASOL-ZDUSSCGKSA-N 0 0 427.900 4.582 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1Cl ZINC000014669466 556431186 /nfs/dbraw/zinc/43/11/86/556431186.db2.gz NJEVKDMTUAZAIU-UHFFFAOYSA-N 0 0 429.369 4.893 50 0 IJAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000012997897 556432173 /nfs/dbraw/zinc/43/21/73/556432173.db2.gz KCGNZOVOGLROOU-UHFFFAOYSA-N 0 0 425.960 4.855 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)n1 ZINC000027810549 556433344 /nfs/dbraw/zinc/43/33/44/556433344.db2.gz LFJCNJFTQVRVRC-HNNXBMFYSA-N 0 0 436.537 4.642 50 0 IJAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1N1CCCC1=O ZINC000032855994 556433412 /nfs/dbraw/zinc/43/34/12/556433412.db2.gz ITWBHMITBCSIOE-UHFFFAOYSA-N 0 0 429.851 4.611 50 0 IJAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000027818730 556433599 /nfs/dbraw/zinc/43/35/99/556433599.db2.gz YZNHEKYCTRBESP-UHFFFAOYSA-N 0 0 447.891 4.881 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1Br ZINC000013018056 556439038 /nfs/dbraw/zinc/43/90/38/556439038.db2.gz QGINMUWSMYBHAU-CYBMUJFWSA-N 0 0 441.163 4.728 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 ZINC000013019154 556439391 /nfs/dbraw/zinc/43/93/91/556439391.db2.gz GHFSMUWADSAPJS-NRFANRHFSA-N 0 0 430.552 4.913 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000013026626 556440621 /nfs/dbraw/zinc/44/06/21/556440621.db2.gz SCRNVJXEAWZTEC-KRWDZBQOSA-N 0 0 433.821 4.878 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000013027197 556440996 /nfs/dbraw/zinc/44/09/96/556440996.db2.gz HQMWQTSFXWFBEF-HSZRJFAPSA-N 0 0 436.533 4.661 50 0 IJAARN CCc1sc(-c2nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)cc1C ZINC000013028096 556441323 /nfs/dbraw/zinc/44/13/23/556441323.db2.gz XBBXPGAVFJKOLX-UHFFFAOYSA-N 0 0 428.495 4.740 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)NC3CCCC3)n2-c2ccccc2C)cc1 ZINC000028047467 556442537 /nfs/dbraw/zinc/44/25/37/556442537.db2.gz JRARAGTZVMJCCF-UHFFFAOYSA-N 0 0 436.581 4.614 50 0 IJAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cc(F)c(F)cc1Cl ZINC000011027667 556445258 /nfs/dbraw/zinc/44/52/58/556445258.db2.gz ODVWTGQQISNTIG-UHFFFAOYSA-N 0 0 426.814 4.590 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)cc1OC ZINC000028287577 556447971 /nfs/dbraw/zinc/44/79/71/556447971.db2.gz OCEMHBFDKNNHCZ-UHFFFAOYSA-N 0 0 433.917 4.673 50 0 IJAARN Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1Cl ZINC000028288915 556448570 /nfs/dbraw/zinc/44/85/70/556448570.db2.gz WRVFVTICMALBBJ-LJQANCHMSA-N 0 0 445.346 4.975 50 0 IJAARN CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000013061143 556450352 /nfs/dbraw/zinc/45/03/52/556450352.db2.gz DATVPMCPZMIQJL-KOSHJBKYSA-N 0 0 436.552 4.671 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nc(=O)c2ccsc2[nH]1)c1ccccc1 ZINC000032865459 556450786 /nfs/dbraw/zinc/45/07/86/556450786.db2.gz ZATDEPCSHDJITK-GOSISDBHSA-N 0 0 437.546 4.855 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc(=O)c2ccsc2[nH]1)c1ccccc1 ZINC000032865458 556450800 /nfs/dbraw/zinc/45/08/00/556450800.db2.gz ZATDEPCSHDJITK-SFHVURJKSA-N 0 0 437.546 4.855 50 0 IJAARN Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2cccc(O)c2)n1 ZINC000028404719 556453813 /nfs/dbraw/zinc/45/38/13/556453813.db2.gz SMCGGKBTMHBVGJ-UHFFFAOYSA-N 0 0 430.327 4.798 50 0 IJAARN CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Cl)cc3Cl)nn2c1=O ZINC000028467617 556455393 /nfs/dbraw/zinc/45/53/93/556455393.db2.gz UNWHAGPQEXFYBW-WQRHYEAKSA-N 0 0 446.359 4.851 50 0 IJAARN Cc1c(C(=O)NCCc2cccs2)sc2ncnc(N[C@H](C)c3nccs3)c12 ZINC000014955413 556461890 /nfs/dbraw/zinc/46/18/90/556461890.db2.gz PHNNWDFSSASZIR-GFCCVEGCSA-N 0 0 429.596 4.663 50 0 IJAARN CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 ZINC000028873258 556462699 /nfs/dbraw/zinc/46/26/99/556462699.db2.gz YJWCGTQHNBINKV-KRWDZBQOSA-N 0 0 437.492 4.870 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 ZINC000029072579 556466670 /nfs/dbraw/zinc/46/66/70/556466670.db2.gz YFWIAJMQFDNAHP-YJBOKZPZSA-N 0 0 442.972 4.897 50 0 IJAARN Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000013114808 556467293 /nfs/dbraw/zinc/46/72/93/556467293.db2.gz RVJNGFIISAMDKN-OAQYLSRUSA-N 0 0 432.520 4.798 50 0 IJAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000013116262 556468855 /nfs/dbraw/zinc/46/88/55/556468855.db2.gz RDQKUOCKNPSTEA-VWLOTQADSA-N 0 0 447.922 4.803 50 0 IJAARN CN(Cc1nnc(SCc2ccncc2)n1C)CC(c1ccccc1)c1ccccc1 ZINC000014977502 556469633 /nfs/dbraw/zinc/46/96/33/556469633.db2.gz PITMZBKYQBXLLC-UHFFFAOYSA-N 0 0 429.593 4.766 50 0 IJAARN Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000014980629 556470610 /nfs/dbraw/zinc/47/06/10/556470610.db2.gz BISQGTOCBWDVHM-GRTQGXPSSA-N 0 0 433.021 4.546 50 0 IJAARN Cc1ccc(OCCNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000013118130 556471524 /nfs/dbraw/zinc/47/15/24/556471524.db2.gz VVRUZRBHUVXJMM-UHFFFAOYSA-N 0 0 438.524 4.674 50 0 IJAARN Cc1noc2ncc(C(=O)N[C@H](C)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc12 ZINC000029295446 556471932 /nfs/dbraw/zinc/47/19/32/556471932.db2.gz KCUBRTMXIXUWRJ-LLVKDONJSA-N 0 0 429.402 4.535 50 0 IJAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cc(C)sc2C)cs1 ZINC000029349940 556472962 /nfs/dbraw/zinc/47/29/62/556472962.db2.gz UCEFZJUENQHHLH-IBGZPJMESA-N 0 0 438.578 4.656 50 0 IJAARN CN(C(=O)CSc1ncnc2ccccc21)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000013128612 556478134 /nfs/dbraw/zinc/47/81/34/556478134.db2.gz UELHLXFRKBHBIF-HSZRJFAPSA-N 0 0 439.968 4.872 50 0 IJAARN COc1ccc2c(-c3ccccc3)cc(=O)n(S(=O)(=O)c3ccc(F)c(Cl)c3)c2c1 ZINC000013130848 556480205 /nfs/dbraw/zinc/48/02/05/556480205.db2.gz GDFLXFJLHNVHMP-UHFFFAOYSA-N 0 0 443.883 4.707 50 0 IJAARN O=C(COc1ccc2ccccc2c1Br)NCc1nc2ccccc2s1 ZINC000029735651 556480834 /nfs/dbraw/zinc/48/08/34/556480834.db2.gz TYWMQZNFBLSNAW-UHFFFAOYSA-N 0 0 427.323 4.907 50 0 IJAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000029794473 556482928 /nfs/dbraw/zinc/48/29/28/556482928.db2.gz CATXLFLWWXLGSN-QHCPKHFHSA-N 0 0 434.511 4.963 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nnnn2-c2ccc(C)cc2C)c2ccccc2)c1 ZINC000013141010 556485960 /nfs/dbraw/zinc/48/59/60/556485960.db2.gz ADDQATZOGYNGLB-JOCHJYFZSA-N 0 0 445.548 4.760 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 ZINC000013141008 556485982 /nfs/dbraw/zinc/48/59/82/556485982.db2.gz KBJDEFRLWHYKJS-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN COc1cc(NC(=O)COc2ncnc3scc(-c4ccc(C)cc4)c32)cc(OC)c1 ZINC000013141011 556485987 /nfs/dbraw/zinc/48/59/87/556485987.db2.gz XUIKLVCTEUDFFI-UHFFFAOYSA-N 0 0 435.505 4.701 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013146166 556488077 /nfs/dbraw/zinc/48/80/77/556488077.db2.gz ULUAHJNQGYIQPX-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1)c1cccs1 ZINC000032872037 556489785 /nfs/dbraw/zinc/48/97/85/556489785.db2.gz KVKHMEOMSRSNGE-UHFFFAOYSA-N 0 0 430.533 4.897 50 0 IJAARN COC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013149719 556491596 /nfs/dbraw/zinc/49/15/96/556491596.db2.gz LXYODAUBJSZHDR-UHFFFAOYSA-N 0 0 429.925 4.518 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000015065971 556492745 /nfs/dbraw/zinc/49/27/45/556492745.db2.gz RBZMIUDKTXKQHR-UHFFFAOYSA-N 0 0 437.544 4.590 50 0 IJAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(c3ccc4cccc(OC)c4n3)C2)c1 ZINC000015068064 556493894 /nfs/dbraw/zinc/49/38/94/556493894.db2.gz HXLDTRKYPJIBRB-LJQANCHMSA-N 0 0 433.552 4.565 50 0 IJAARN CSc1ncc(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068566 556494149 /nfs/dbraw/zinc/49/41/49/556494149.db2.gz NJCJZONLOMGLHJ-IBGZPJMESA-N 0 0 432.593 4.508 50 0 IJAARN Cc1nc(C(=O)N2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)cs1 ZINC000015069750 556495025 /nfs/dbraw/zinc/49/50/25/556495025.db2.gz UXNSQJPQLMLUDZ-HXUWFJFHSA-N 0 0 441.560 4.990 50 0 IJAARN C[C@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccc(Cl)cc1 ZINC000015070394 556495430 /nfs/dbraw/zinc/49/54/30/556495430.db2.gz SLJOQLZILPXZQG-INIZCTEOSA-N 0 0 426.944 4.611 50 0 IJAARN CC(=O)Nc1ccc(OC[C@H](O)COc2cc3sc(C)nc3c3sccc32)cc1 ZINC000030531520 556497026 /nfs/dbraw/zinc/49/70/26/556497026.db2.gz VGKVLFZUAHBMJA-HNNXBMFYSA-N 0 0 428.535 4.597 50 0 IJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000013164721 556497092 /nfs/dbraw/zinc/49/70/92/556497092.db2.gz NNQSDURDLBJYFK-OAQYLSRUSA-N 0 0 445.519 4.551 50 0 IJAARN O=C(NCc1ccc2sccc2c1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000015073819 556497826 /nfs/dbraw/zinc/49/78/26/556497826.db2.gz NQXRYFPWRMNUBM-IBGZPJMESA-N 0 0 426.969 4.652 50 0 IJAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCC[C@H](C)C2)CCC3)c(C)c1 ZINC000004554264 556502877 /nfs/dbraw/zinc/50/28/77/556502877.db2.gz RCKWVADTESWWOU-INIZCTEOSA-N 0 0 425.598 4.776 50 0 IJAARN CC(=O)N[C@@H](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000032879138 556502971 /nfs/dbraw/zinc/50/29/71/556502971.db2.gz XNAGFGIJHNSGIW-REWPJTCUSA-N 0 0 431.561 4.745 50 0 IJAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccco1 ZINC000015135281 556505761 /nfs/dbraw/zinc/50/57/61/556505761.db2.gz VZRUSLUQBLRLON-CYBMUJFWSA-N 0 0 438.427 4.590 50 0 IJAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2ccccc2)CO4)cc1OC ZINC000030822689 556506749 /nfs/dbraw/zinc/50/67/49/556506749.db2.gz VYBILCMAKGPOCJ-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 IJAARN O=C(CCC(=O)N1CCC(c2c[nH]c3ccccc32)CC1)c1ccc2c(c1)OCCCO2 ZINC000032882697 556509299 /nfs/dbraw/zinc/50/92/99/556509299.db2.gz ZZEXSSVEBOSETB-UHFFFAOYSA-N 0 0 432.520 4.698 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 ZINC000013512425 556510818 /nfs/dbraw/zinc/51/08/18/556510818.db2.gz CHNPVBRFAARLQS-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 ZINC000013514227 556511147 /nfs/dbraw/zinc/51/11/47/556511147.db2.gz PSYAAULYEGPABG-UHFFFAOYSA-N 0 0 441.622 4.947 50 0 IJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2nc(-c3ccccc3)no2)c1 ZINC000015220763 556511728 /nfs/dbraw/zinc/51/17/28/556511728.db2.gz KTHFSMRMMMPHLY-UHFFFAOYSA-N 0 0 442.500 4.737 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 ZINC000015223509 556512198 /nfs/dbraw/zinc/51/21/98/556512198.db2.gz ACFOJLAQJKRVIR-ZCOIRKDISA-N 0 0 441.914 4.788 50 0 IJAARN COc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000013556366 556516490 /nfs/dbraw/zinc/51/64/90/556516490.db2.gz NJFAWKDEUTVGFG-UHFFFAOYSA-N 0 0 447.604 4.808 50 0 IJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000032898976 556517797 /nfs/dbraw/zinc/51/77/97/556517797.db2.gz MMBMKUAPNSSZSV-UHFFFAOYSA-N 0 0 425.485 4.549 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(OC)c(OC)cc2Br)c1 ZINC000015312883 556518535 /nfs/dbraw/zinc/51/85/35/556518535.db2.gz UPSRHNPWURAIOD-SFHVURJKSA-N 0 0 436.346 4.821 50 0 IJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000015356159 556522801 /nfs/dbraw/zinc/52/28/01/556522801.db2.gz JJWGAWKTOMGLQN-UHFFFAOYSA-N 0 0 447.417 4.730 50 0 IJAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1ccc(CCO)cc1 ZINC000013572197 556522846 /nfs/dbraw/zinc/52/28/46/556522846.db2.gz GLAVYGVMINCFGZ-UHFFFAOYSA-N 0 0 449.890 4.666 50 0 IJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900654 556529804 /nfs/dbraw/zinc/52/98/04/556529804.db2.gz XSOLDXNMRUBPRG-SFHVURJKSA-N 0 0 428.492 4.860 50 0 IJAARN Cc1ccc(F)cc1NC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000032899984 556531881 /nfs/dbraw/zinc/53/18/81/556531881.db2.gz BLRZHHDKRGHOCJ-NRFANRHFSA-N 0 0 446.931 4.836 50 0 IJAARN CSCC[C@@H](NC(=O)Cc1nc(-c2cccs2)oc1C)c1nc2ccccc2[nH]1 ZINC000032899996 556531907 /nfs/dbraw/zinc/53/19/07/556531907.db2.gz CHPLRNGGZHBHSR-MRXNPFEDSA-N 0 0 426.567 4.741 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)N1CCc2ccccc2C1 ZINC000013625383 556537019 /nfs/dbraw/zinc/53/70/19/556537019.db2.gz KQHMTXHMECGESC-ICSRJNTNSA-N 0 0 426.442 4.742 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)N1CCc2ccccc2C1 ZINC000013625389 556537044 /nfs/dbraw/zinc/53/70/44/556537044.db2.gz KQHMTXHMECGESC-UYAOXDASSA-N 0 0 426.442 4.742 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959199 556537971 /nfs/dbraw/zinc/53/79/71/556537971.db2.gz MZDAGVYXGVQWOT-GOSISDBHSA-N 0 0 429.495 4.544 50 0 IJAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013629217 556538562 /nfs/dbraw/zinc/53/85/62/556538562.db2.gz CPAFIJLYVCPFFV-NIJIEXERSA-N 0 0 440.927 4.916 50 0 IJAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032902047 556538652 /nfs/dbraw/zinc/53/86/52/556538652.db2.gz OUIPJXWUMGURFX-QAPCUYQASA-N 0 0 425.960 4.620 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccc(Br)c2)cc1 ZINC000015722754 556545355 /nfs/dbraw/zinc/54/53/55/556545355.db2.gz NRLSDCJKIGELPG-CPNJWEJPSA-N 0 0 425.282 4.760 50 0 IJAARN O=C1Nc2ccc(Br)cc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000032678386 556546214 /nfs/dbraw/zinc/54/62/14/556546214.db2.gz NNCBEIGAASGNDG-QGOAFFKASA-N 0 0 444.288 4.641 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013661781 556546898 /nfs/dbraw/zinc/54/68/98/556546898.db2.gz HESACCWOPXDZNE-DSNGMDLFSA-N 0 0 436.467 4.597 50 0 IJAARN COc1cc(NC(=O)c2cc(Br)ccc2OC)ccc1NC(=O)c1ccco1 ZINC000015746294 556548079 /nfs/dbraw/zinc/54/80/79/556548079.db2.gz RDCNPANKXVFDJG-UHFFFAOYSA-N 0 0 445.269 4.564 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000032905394 556548559 /nfs/dbraw/zinc/54/85/59/556548559.db2.gz KKLFJFGTQMVVOR-UHFFFAOYSA-N 0 0 446.934 4.736 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997696 556551954 /nfs/dbraw/zinc/55/19/54/556551954.db2.gz DWBLFHPFIQYTQB-OAQYLSRUSA-N 0 0 442.491 4.990 50 0 IJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1OC ZINC000032998155 556552257 /nfs/dbraw/zinc/55/22/57/556552257.db2.gz YNIUYEYOKBQTOE-HXUWFJFHSA-N 0 0 442.928 4.757 50 0 IJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1F ZINC000032998127 556552286 /nfs/dbraw/zinc/55/22/86/556552286.db2.gz VOKMVSBQVLTGLG-LJQANCHMSA-N 0 0 430.892 4.887 50 0 IJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)c2c1C ZINC000032959995 556554091 /nfs/dbraw/zinc/55/40/91/556554091.db2.gz KVFNDXNXAPYUEZ-OAHLLOKOSA-N 0 0 443.345 4.766 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c(C)c1 ZINC000033115391 556554993 /nfs/dbraw/zinc/55/49/93/556554993.db2.gz MQHFGPVDULRFLC-UHFFFAOYSA-N 0 0 440.609 4.975 50 0 IJAARN CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000033115460 556555415 /nfs/dbraw/zinc/55/54/15/556555415.db2.gz NDLUAMMBKMTJSO-UHFFFAOYSA-N 0 0 426.582 4.703 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)c1 ZINC000033257963 556557349 /nfs/dbraw/zinc/55/73/49/556557349.db2.gz NDUGDBBZBNHYPK-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN Cc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCC2)o1 ZINC000015860480 556558684 /nfs/dbraw/zinc/55/86/84/556558684.db2.gz BYEJPLBYSVTWRD-KRWDZBQOSA-N 0 0 431.330 4.972 50 0 IJAARN CC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274794 556559226 /nfs/dbraw/zinc/55/92/26/556559226.db2.gz CMIIVRPEPBGLDA-UHFFFAOYSA-N 0 0 428.598 4.589 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc1 ZINC000015869205 556559953 /nfs/dbraw/zinc/55/99/53/556559953.db2.gz DFJDEQVNDNHYJC-UHFFFAOYSA-N 0 0 449.511 4.745 50 0 IJAARN COc1ccc(OC)c(CCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 ZINC000032908310 556564533 /nfs/dbraw/zinc/56/45/33/556564533.db2.gz BKBZMTNWWIBRDF-UHFFFAOYSA-N 0 0 443.931 4.777 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)c2c1C ZINC000032960352 556565000 /nfs/dbraw/zinc/56/50/00/556565000.db2.gz DXHIYIFSNJKCJG-HNNXBMFYSA-N 0 0 448.445 4.902 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc43)cc2)cc1 ZINC000032908989 556566598 /nfs/dbraw/zinc/56/65/98/556566598.db2.gz CKFAAJSUCGWYKK-UHFFFAOYSA-N 0 0 435.505 4.646 50 0 IJAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCCCCC1)CCCC2 ZINC000015946871 556567752 /nfs/dbraw/zinc/56/77/52/556567752.db2.gz RETMGWYCAKFTTB-UHFFFAOYSA-N 0 0 441.597 4.702 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 ZINC000015974981 556570271 /nfs/dbraw/zinc/57/02/71/556570271.db2.gz SNBPXMMMSKYCPX-KBXCAEBGSA-N 0 0 448.589 4.975 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000016024721 556575953 /nfs/dbraw/zinc/57/59/53/556575953.db2.gz HLPGNEGJFXHUDG-UHFFFAOYSA-N 0 0 429.545 4.934 50 0 IJAARN CCOC(=O)C[C@@H](OC(=O)CCc1c(C)nn(C)c1C)c1cc(Cl)cc(Cl)c1 ZINC000072310808 556577028 /nfs/dbraw/zinc/57/70/28/556577028.db2.gz JHRVHNVOBTZINM-GOSISDBHSA-N 0 0 427.328 4.514 50 0 IJAARN O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000072310007 556577625 /nfs/dbraw/zinc/57/76/25/556577625.db2.gz DLMBFXOWLKRPEB-UHFFFAOYSA-N 0 0 430.508 4.512 50 0 IJAARN CCOc1ccccc1N1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O ZINC000016044710 556579029 /nfs/dbraw/zinc/57/90/29/556579029.db2.gz GRFCKCXWOCGDNG-HSZRJFAPSA-N 0 0 442.559 4.777 50 0 IJAARN O=S(=O)(N=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000016133856 556584834 /nfs/dbraw/zinc/58/48/34/556584834.db2.gz AEVALPJLGXNXIZ-UHFFFAOYSA-N 0 0 427.881 4.893 50 0 IJAARN O=C(CCSCCC(=O)NCCCCc1ccccc1)NCCCCc1ccccc1 ZINC000016226001 556592710 /nfs/dbraw/zinc/59/27/10/556592710.db2.gz DHJZGIOTQRNQTJ-UHFFFAOYSA-N 0 0 440.653 4.778 50 0 IJAARN COc1cccc(OC)c1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016228108 556593249 /nfs/dbraw/zinc/59/32/49/556593249.db2.gz KZEPJBYWEPFMNR-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)N2CCCCCC2)c1 ZINC000032974979 556596837 /nfs/dbraw/zinc/59/68/37/556596837.db2.gz QTMAACIEBXPHJP-UHFFFAOYSA-N 0 0 433.552 4.892 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN(C)c2ccccc2)[C@@H](c2ccccc2OC)C1 ZINC000036345384 556596990 /nfs/dbraw/zinc/59/69/90/556596990.db2.gz ALVUNDLGIQUDLV-HSZRJFAPSA-N 0 0 429.520 4.518 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016285870 556597441 /nfs/dbraw/zinc/59/74/41/556597441.db2.gz CWNBJHZAKJDOKR-UHFFFAOYSA-N 0 0 434.536 4.868 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(C)c2)cc1 ZINC000016309822 556599265 /nfs/dbraw/zinc/59/92/65/556599265.db2.gz CSCJJVHLZLDCEK-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)Nc4ccccc4)[C@@H](C)C3)ncn2)c1 ZINC000037285044 556601463 /nfs/dbraw/zinc/60/14/63/556601463.db2.gz JMQSSMKTPUSPJU-KRWDZBQOSA-N 0 0 437.931 4.973 50 0 IJAARN O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCN(Cc2ccccc2)CC1 ZINC000016361724 556602591 /nfs/dbraw/zinc/60/25/91/556602591.db2.gz LGALQIJNMPNPHA-QHCPKHFHSA-N 0 0 434.967 4.912 50 0 IJAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000016361624 556602685 /nfs/dbraw/zinc/60/26/85/556602685.db2.gz BUTBJTBZJATRNS-QHCPKHFHSA-N 0 0 431.467 4.671 50 0 IJAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984022 556603288 /nfs/dbraw/zinc/60/32/88/556603288.db2.gz XFVPCAMGQPAOIK-DEDYPNTBSA-N 0 0 430.957 4.975 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2cc4ccc(OC)cc4[nH]2)CC3)cc1 ZINC000032984632 556603802 /nfs/dbraw/zinc/60/38/02/556603802.db2.gz XVHKSPBTQDMWGH-UHFFFAOYSA-N 0 0 433.533 4.897 50 0 IJAARN COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)c(OC)c1 ZINC000016382580 556604064 /nfs/dbraw/zinc/60/40/64/556604064.db2.gz BMXKFERSGHGIOV-SFHVURJKSA-N 0 0 444.329 4.853 50 0 IJAARN COCCCN1C(=O)c2[nH]nc(-c3cc(C)c(C)cc3O)c2[C@@H]1c1ccc(SC)cc1 ZINC000016448494 556608730 /nfs/dbraw/zinc/60/87/30/556608730.db2.gz LXVBGAKAQRIIGQ-QHCPKHFHSA-N 0 0 437.565 4.703 50 0 IJAARN CSCC[C@@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000032990906 556609764 /nfs/dbraw/zinc/60/97/64/556609764.db2.gz XRJRISUHKHKYQY-MRXNPFEDSA-N 0 0 447.486 4.542 50 0 IJAARN O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 ZINC000016638173 556619155 /nfs/dbraw/zinc/61/91/55/556619155.db2.gz GUNOGLODSWMQPJ-UHFFFAOYSA-N 0 0 443.938 4.550 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c1C ZINC000016650756 556620626 /nfs/dbraw/zinc/62/06/26/556620626.db2.gz REIAUHSSAQXVKD-LJQANCHMSA-N 0 0 446.551 4.630 50 0 IJAARN CCOc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000016663030 556621165 /nfs/dbraw/zinc/62/11/65/556621165.db2.gz IIEPXNVIPLFQDO-UHFFFAOYSA-N 0 0 432.564 4.995 50 0 IJAARN Cc1ccc(Nc2nc(N)nc(CSc3nc(C)nc4sc5c(c43)CCC5)n2)cc1 ZINC000016678037 556622927 /nfs/dbraw/zinc/62/29/27/556622927.db2.gz QSWRCTFWQQIGNG-UHFFFAOYSA-N 0 0 435.582 4.600 50 0 IJAARN CCOC(=O)[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1 ZINC000016682204 556624589 /nfs/dbraw/zinc/62/45/89/556624589.db2.gz LVDGINAITMTTPN-OAQYLSRUSA-N 0 0 428.444 4.865 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000016691919 556627348 /nfs/dbraw/zinc/62/73/48/556627348.db2.gz CAESGFCDVUFISK-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1ccccc1Cl ZINC000033758954 556630741 /nfs/dbraw/zinc/63/07/41/556630741.db2.gz GCEPFPCFCNSYRL-UHFFFAOYSA-N 0 0 441.965 4.891 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)cc1Br ZINC000033763403 556631888 /nfs/dbraw/zinc/63/18/88/556631888.db2.gz RWXCGTUWCQBYBW-ISTRZQFTSA-N 0 0 442.419 4.642 50 0 IJAARN CC(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005099881 556634205 /nfs/dbraw/zinc/63/42/05/556634205.db2.gz QSGAQKWTHIIAIA-QHCPKHFHSA-N 0 0 427.610 4.937 50 0 IJAARN CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 ZINC000016749737 556636861 /nfs/dbraw/zinc/63/68/61/556636861.db2.gz ZMCIOQGPXAYHKZ-QHCPKHFHSA-N 0 0 435.520 4.944 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)cc1 ZINC000016789583 556642487 /nfs/dbraw/zinc/64/24/87/556642487.db2.gz BCZJIOFFYPJAPC-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037603562 556645470 /nfs/dbraw/zinc/64/54/70/556645470.db2.gz VRPCJWXYGSKLPV-AVRWGWEMSA-N 0 0 440.559 4.639 50 0 IJAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000037557723 556645521 /nfs/dbraw/zinc/64/55/21/556645521.db2.gz MTJUTWQAXWGWPR-SANMLTNESA-N 0 0 442.559 4.680 50 0 IJAARN COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)C3CC3)c2)cc1 ZINC000037601401 556646366 /nfs/dbraw/zinc/64/63/66/556646366.db2.gz QYJOSNDLTYESEW-UHFFFAOYSA-N 0 0 432.495 4.959 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016844944 556646556 /nfs/dbraw/zinc/64/65/56/556646556.db2.gz CVZLHZGZBYTGPX-UHFFFAOYSA-N 0 0 435.574 4.955 50 0 IJAARN Cn1c(SCC(=O)NCCCc2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016844897 556646562 /nfs/dbraw/zinc/64/65/62/556646562.db2.gz DQWLJUHSUVYXRG-UHFFFAOYSA-N 0 0 449.601 4.503 50 0 IJAARN CCn1c(=O)c2scc(-c3ccc(C)cc3)c2nc1SCC(=O)N1CCCCC1 ZINC000016846732 556647403 /nfs/dbraw/zinc/64/74/03/556647403.db2.gz QRGFIBNBKCPSKT-UHFFFAOYSA-N 0 0 427.595 4.558 50 0 IJAARN C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2S1 ZINC000011726664 556647656 /nfs/dbraw/zinc/64/76/56/556647656.db2.gz IQJUSHWSTLXRAZ-CYBMUJFWSA-N 0 0 428.966 4.898 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000016884221 556648005 /nfs/dbraw/zinc/64/80/05/556648005.db2.gz SCSUYEGWYNTKIG-GOSISDBHSA-N 0 0 432.520 4.738 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000016884338 556648295 /nfs/dbraw/zinc/64/82/95/556648295.db2.gz VICXPTBISPUWCB-SFHVURJKSA-N 0 0 432.520 4.656 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000038654113 556653921 /nfs/dbraw/zinc/65/39/21/556653921.db2.gz SBYFYZSTDBCYIS-UHFFFAOYSA-N 0 0 442.972 4.786 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NCCc1ccccc1 ZINC000038654758 556653939 /nfs/dbraw/zinc/65/39/39/556653939.db2.gz NBXZSHKYRPHJFA-UHFFFAOYSA-N 0 0 431.565 4.597 50 0 IJAARN Cc1nc2scc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)n2c(=O)c1C ZINC000011768327 556654205 /nfs/dbraw/zinc/65/42/05/556654205.db2.gz POASJGSWBBIYTM-UHFFFAOYSA-N 0 0 444.310 4.648 50 0 IJAARN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(-c3csc4nc(C)cc(=O)n34)cc2)c1 ZINC000011770789 556654491 /nfs/dbraw/zinc/65/44/91/556654491.db2.gz MNLZMYXOISWBOP-KRWDZBQOSA-N 0 0 433.533 4.754 50 0 IJAARN COc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4ccccc4)cs3)c2C)cc1 ZINC000033004571 556654813 /nfs/dbraw/zinc/65/48/13/556654813.db2.gz PLZPFPNHRITKRR-UHFFFAOYSA-N 0 0 432.549 4.726 50 0 IJAARN COC(=O)c1ccc(NC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033008252 556657075 /nfs/dbraw/zinc/65/70/75/556657075.db2.gz YVVXXUQBYHKPLI-UHFFFAOYSA-N 0 0 446.488 4.979 50 0 IJAARN Cn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017094882 556658141 /nfs/dbraw/zinc/65/81/41/556658141.db2.gz STXGFILJTJYBTG-UHFFFAOYSA-N 0 0 426.498 4.766 50 0 IJAARN COc1ccc2nc(-c3ccc(C)o3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000017095424 556658800 /nfs/dbraw/zinc/65/88/00/556658800.db2.gz ZJDVZZLJTLAJMO-UHFFFAOYSA-N 0 0 427.504 4.774 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1cnn(CC)c1C ZINC000017096101 556659793 /nfs/dbraw/zinc/65/97/93/556659793.db2.gz KXXGEJHGRCTFDO-UHFFFAOYSA-N 0 0 428.583 4.603 50 0 IJAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)[C@H]1C ZINC000248077388 556661171 /nfs/dbraw/zinc/66/11/71/556661171.db2.gz HTHXJFYEDCSYAT-TYILLQQXSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(COc2cc(C)c(Cl)c(C)c2)n1C ZINC000017097295 556661394 /nfs/dbraw/zinc/66/13/94/556661394.db2.gz QRJNIFHIFNCYKV-UHFFFAOYSA-N 0 0 430.961 4.704 50 0 IJAARN CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)[nH]c1=O ZINC000011855153 556662079 /nfs/dbraw/zinc/66/20/79/556662079.db2.gz JMAHGMLRXIMVSW-UHFFFAOYSA-N 0 0 447.564 4.516 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000033013232 556662603 /nfs/dbraw/zinc/66/26/03/556662603.db2.gz KQOUHGIEQYCINJ-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)N1CCC(C)CC1 ZINC000033013267 556662947 /nfs/dbraw/zinc/66/29/47/556662947.db2.gz SUWPFWUKYQDPTR-UHFFFAOYSA-N 0 0 435.524 4.748 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)c2nc(-c3c(Cl)cccc3Cl)sc2C)CC1 ZINC000011866139 556665709 /nfs/dbraw/zinc/66/57/09/556665709.db2.gz HABCHGAANYINMW-UHFFFAOYSA-N 0 0 442.368 4.776 50 0 IJAARN CC(=O)Oc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1C ZINC000011867369 556666044 /nfs/dbraw/zinc/66/60/44/556666044.db2.gz XSMYATBZDBFDCE-UHFFFAOYSA-N 0 0 441.233 4.563 50 0 IJAARN CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000011866374 556666595 /nfs/dbraw/zinc/66/65/95/556666595.db2.gz NIKQHCVXNHRGMP-UHFFFAOYSA-N 0 0 435.402 4.533 50 0 IJAARN NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1cccc(Cl)c1Cl ZINC000017103229 556667218 /nfs/dbraw/zinc/66/72/18/556667218.db2.gz UREDPFTVFVUVOV-UHFFFAOYSA-N 0 0 439.393 4.585 50 0 IJAARN NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1cc(Cl)cc(Cl)c1 ZINC000017103235 556667621 /nfs/dbraw/zinc/66/76/21/556667621.db2.gz LBVPIGFEFFQANN-UHFFFAOYSA-N 0 0 439.393 4.585 50 0 IJAARN Cc1ccc(N2CCN(Cc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000017173173 556671393 /nfs/dbraw/zinc/67/13/93/556671393.db2.gz MGNHOCXYAYGZBV-HXUWFJFHSA-N 0 0 442.538 4.544 50 0 IJAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCCC[C@H]1C ZINC000248163475 556673070 /nfs/dbraw/zinc/67/30/70/556673070.db2.gz QFJNCRFDKFDSNH-RBUKOAKNSA-N 0 0 443.613 4.703 50 0 IJAARN O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1)c1csnn1 ZINC000011914223 556673697 /nfs/dbraw/zinc/67/36/97/556673697.db2.gz KUSLCCREMPYMOU-UHFFFAOYSA-N 0 0 432.383 4.808 50 0 IJAARN COc1ccc2cc(C(=O)N3CC=C(c4c(OC)cc(OC)cc4OC)CC3)c(C)nc2c1 ZINC000011919029 556674968 /nfs/dbraw/zinc/67/49/68/556674968.db2.gz QAZVVKLUTXHJQT-UHFFFAOYSA-N 0 0 448.519 4.507 50 0 IJAARN Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(S(N)(=O)=O)cc1)C(C)(C)N2 ZINC000018010083 556681500 /nfs/dbraw/zinc/68/15/00/556681500.db2.gz QRFDLGRLGWKKPY-QOCHGBHMSA-N 0 0 431.608 4.634 50 0 IJAARN O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000018228623 556687744 /nfs/dbraw/zinc/68/77/44/556687744.db2.gz FLZQMQNJFHDFPB-BDTNDASRSA-N 0 0 436.870 4.526 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccccc3Cl)c2)s1 ZINC000033022822 556688149 /nfs/dbraw/zinc/68/81/49/556688149.db2.gz FBLPEWXUDSYIJO-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000136602464 556690214 /nfs/dbraw/zinc/69/02/14/556690214.db2.gz KRABEFAWQGNOTJ-PWRODBHTSA-N 0 0 440.833 4.669 50 0 IJAARN C=C(C)COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC ZINC000000998036 556690559 /nfs/dbraw/zinc/69/05/59/556690559.db2.gz ZHNXUYGGENDFCI-LICLKQGHSA-N 0 0 428.282 4.757 50 0 IJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccccc1F ZINC000046006744 556690859 /nfs/dbraw/zinc/69/08/59/556690859.db2.gz RLDLFOHMJIBZBY-UHFFFAOYSA-N 0 0 436.462 4.895 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141489 556692962 /nfs/dbraw/zinc/69/29/62/556692962.db2.gz WHJWDBHGCGFMJH-UHFFFAOYSA-N 0 0 445.497 4.722 50 0 IJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccccc1Br ZINC000033025525 556701160 /nfs/dbraw/zinc/70/11/60/556701160.db2.gz CSYSCCQCIAUKAH-UHFFFAOYSA-N 0 0 428.334 4.673 50 0 IJAARN Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccccc5Cl)c4[nH]3)CC2)c1 ZINC000048986616 556702762 /nfs/dbraw/zinc/70/27/62/556702762.db2.gz OUMRMJOEPHFLKJ-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000049007709 556703182 /nfs/dbraw/zinc/70/31/82/556703182.db2.gz IEICBHLDPKSDGJ-UHFFFAOYSA-N 0 0 434.443 4.502 50 0 IJAARN CCCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000004608126 556703813 /nfs/dbraw/zinc/70/38/13/556703813.db2.gz UWJCQLLQDKLWBD-UHFFFAOYSA-N 0 0 428.573 4.562 50 0 IJAARN CCCCNC(=O)c1cccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)c1 ZINC000033027489 556706857 /nfs/dbraw/zinc/70/68/57/556706857.db2.gz GANVXWRBXOOEEX-UHFFFAOYSA-N 0 0 438.553 4.516 50 0 IJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(OC)cc1OC ZINC000072328525 556725947 /nfs/dbraw/zinc/72/59/47/556725947.db2.gz CXHAFOMBTHDYJP-UHFFFAOYSA-N 0 0 427.932 5.000 50 0 IJAARN Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000055060911 556733602 /nfs/dbraw/zinc/73/36/02/556733602.db2.gz ZVIGOMHHCGPFSK-UHFFFAOYSA-N 0 0 440.547 4.907 50 0 IJAARN CN(Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)Cc1ccccc1 ZINC000055369434 556740865 /nfs/dbraw/zinc/74/08/65/556740865.db2.gz QZXZCBPKTQWVIN-UHFFFAOYSA-N 0 0 444.966 4.818 50 0 IJAARN COC(=O)C[C@H]1CCCCN1Cn1nc(Cc2cccs2)n(C2CCCCC2)c1=S ZINC000058080332 556756735 /nfs/dbraw/zinc/75/67/35/556756735.db2.gz MBNIARBANAJPAZ-GOSISDBHSA-N 0 0 448.658 4.947 50 0 IJAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058084228 556757081 /nfs/dbraw/zinc/75/70/81/556757081.db2.gz MYHJVYKBPYHLLR-GOSISDBHSA-N 0 0 438.531 4.617 50 0 IJAARN Cc1ccc(-n2ncc3c4nnc(-c5cc6ccccc6cc5O)n4cnc32)cc1Cl ZINC000002360681 556760786 /nfs/dbraw/zinc/76/07/86/556760786.db2.gz ILQFWTRWNGXBMA-UHFFFAOYSA-N 0 0 426.867 4.951 50 0 IJAARN CC(C)CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000001000556 556761862 /nfs/dbraw/zinc/76/18/62/556761862.db2.gz QAMCRFDWJJOJIJ-UHFFFAOYSA-N 0 0 441.347 4.845 50 0 IJAARN CCOc1cc2c(c3[nH]c(C(=O)N[C@H](C)c4ccc(NC(=O)C5CC5)cc4)cc31)O[C@H](C)C2 ZINC000058161591 556765512 /nfs/dbraw/zinc/76/55/12/556765512.db2.gz LPPPDFHVKCVKES-HUUCEWRRSA-N 0 0 447.535 4.730 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)N=NC3c3ccc(C)cc3)cn2)cc1 ZINC000058161877 556765535 /nfs/dbraw/zinc/76/55/35/556765535.db2.gz VKXUMWJCQFVKRY-UHFFFAOYSA-N 0 0 431.521 4.677 50 0 IJAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000001114013 556767787 /nfs/dbraw/zinc/76/77/87/556767787.db2.gz SZJDQVCNERBJRE-PXLXIMEGSA-N 0 0 445.500 4.778 50 0 IJAARN CC(C)[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)n1cnc2cc(F)c(F)cc21 ZINC000058208567 556771705 /nfs/dbraw/zinc/77/17/05/556771705.db2.gz YHSUADJZKBHPEV-OAQYLSRUSA-N 0 0 438.434 4.996 50 0 IJAARN CN(CC(=O)OC(C)(C)C)C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000058210404 556771903 /nfs/dbraw/zinc/77/19/03/556771903.db2.gz XPPMVPSYFHNFBL-UHFFFAOYSA-N 0 0 428.579 4.881 50 0 IJAARN COc1ccc(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c(OC)c1 ZINC000058297961 556778384 /nfs/dbraw/zinc/77/83/84/556778384.db2.gz JLKNPYLHMOSSHN-UHFFFAOYSA-N 0 0 425.504 4.718 50 0 IJAARN COc1cccc(CN(Cc2cccc(OC)c2)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000058368580 556783134 /nfs/dbraw/zinc/78/31/34/556783134.db2.gz IFLSJPQZCWYNNS-UHFFFAOYSA-N 0 0 443.547 4.708 50 0 IJAARN Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)n1 ZINC000058406301 556785741 /nfs/dbraw/zinc/78/57/41/556785741.db2.gz UUUQYUKRKDJTRX-UHFFFAOYSA-N 0 0 447.651 4.811 50 0 IJAARN Cc1cc(-c2csc(NC(=O)CCc3nc4sc(C)c(C)c4c(=O)[nH]3)n2)c(C)o1 ZINC000058414334 556786585 /nfs/dbraw/zinc/78/65/85/556786585.db2.gz LXWALBLDQWLEER-UHFFFAOYSA-N 0 0 428.539 4.506 50 0 IJAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)nc(=O)c2c1C ZINC000058434217 556788242 /nfs/dbraw/zinc/78/82/42/556788242.db2.gz SVDPRXPJSIPVGF-MBNYWOFBSA-N 0 0 430.549 4.527 50 0 IJAARN C[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)[C@@H](O)c1ccc(Br)cc1 ZINC000058545293 556790080 /nfs/dbraw/zinc/79/00/80/556790080.db2.gz LLFFSSSNTUGMHW-ZUZCIYMTSA-N 0 0 426.236 4.945 50 0 IJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000059278864 556796940 /nfs/dbraw/zinc/79/69/40/556796940.db2.gz ZDZBDUHCHGJMEC-UHFFFAOYSA-N 0 0 438.247 4.926 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000011195293 556797995 /nfs/dbraw/zinc/79/79/95/556797995.db2.gz CVMQDFDIQFIZAQ-NSDYXAQKSA-N 0 0 445.560 4.601 50 0 IJAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NCCc1ccccc1 ZINC000002636344 556801350 /nfs/dbraw/zinc/80/13/50/556801350.db2.gz RZCOYPJHMBGTFT-UHFFFAOYSA-N 0 0 432.545 4.582 50 0 IJAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002637645 556801637 /nfs/dbraw/zinc/80/16/37/556801637.db2.gz PCWPCALEPBEZBD-UHFFFAOYSA-N 0 0 434.609 4.940 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003207921 556804435 /nfs/dbraw/zinc/80/44/35/556804435.db2.gz RPQUUAYWDNHFIX-UHFFFAOYSA-N 0 0 446.878 4.786 50 0 IJAARN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000060034322 556806015 /nfs/dbraw/zinc/80/60/15/556806015.db2.gz UNEYPPPVDNITTH-UHFFFAOYSA-N 0 0 428.248 4.904 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)c(Br)c1 ZINC000003261732 556807481 /nfs/dbraw/zinc/80/74/81/556807481.db2.gz CKQKSIIXXWHOCJ-UHFFFAOYSA-N 0 0 447.354 4.872 50 0 IJAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000060376098 556807526 /nfs/dbraw/zinc/80/75/26/556807526.db2.gz RUAKHKGWRZODGN-UHFFFAOYSA-N 0 0 426.904 4.642 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)OCC)c1C ZINC000003307049 556809172 /nfs/dbraw/zinc/80/91/72/556809172.db2.gz RJMIKROVFUOMKV-UHFFFAOYSA-N 0 0 430.309 4.969 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1cccc(Cl)c1 ZINC000003350095 556813531 /nfs/dbraw/zinc/81/35/31/556813531.db2.gz POYRWJLQWMWNHB-CYBMUJFWSA-N 0 0 429.977 4.729 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000011209252 556814152 /nfs/dbraw/zinc/81/41/52/556814152.db2.gz NJVMGTHMUXKURK-UHFFFAOYSA-N 0 0 445.972 4.835 50 0 IJAARN COc1ccc(C(C)=O)cc1CN1C(=O)NC(c2ccc(C)cc2)(c2ccc(C)cc2)C1=O ZINC000003419566 556814944 /nfs/dbraw/zinc/81/49/44/556814944.db2.gz WAEYFYMMOHROCR-UHFFFAOYSA-N 0 0 442.515 4.510 50 0 IJAARN Cc1cc(C(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c(C)n1CC(F)(F)F ZINC000003431477 556815528 /nfs/dbraw/zinc/81/55/28/556815528.db2.gz QYNOXJUOCXQPSA-UHFFFAOYSA-N 0 0 433.426 4.871 50 0 IJAARN COc1ccc(C2(CNC(=O)c3sc(-c4ccc(F)cc4)nc3C)CCOCC2)cc1 ZINC000072402548 556815968 /nfs/dbraw/zinc/81/59/68/556815968.db2.gz ANHRBABBLZIENL-UHFFFAOYSA-N 0 0 440.540 4.744 50 0 IJAARN O=C1CCC[C@H]1Sc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000003562232 556817678 /nfs/dbraw/zinc/81/76/78/556817678.db2.gz WDHYURHLYXECEF-GOSISDBHSA-N 0 0 428.355 4.970 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062146 556817869 /nfs/dbraw/zinc/81/78/69/556817869.db2.gz DGDGYEYHHZRQDZ-OAHLLOKOSA-N 0 0 442.972 4.514 50 0 IJAARN O=C(Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1)c1ccc(F)cc1 ZINC000033063936 556818702 /nfs/dbraw/zinc/81/87/02/556818702.db2.gz CPWBITVAYKCOPL-UHFFFAOYSA-N 0 0 446.916 4.717 50 0 IJAARN Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)s2)c1 ZINC000033063919 556818770 /nfs/dbraw/zinc/81/87/70/556818770.db2.gz BKNIJBSLDWSIOP-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN Cc1cc(C)c2[nH]c(CSc3nnc(COc4ccccc4Cl)n3C)cc(=O)c2c1 ZINC000033064373 556819022 /nfs/dbraw/zinc/81/90/22/556819022.db2.gz OPHYNJMRJHXCJE-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cc1ccc2c(=O)cc(CSc3nnc(COc4ccccc4Cl)n3C)[nH]c2c1C ZINC000033064352 556819035 /nfs/dbraw/zinc/81/90/35/556819035.db2.gz HECDDHNOOQGKLG-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4cccc(F)c4)ccc3C)nc2c1 ZINC000033068079 556820662 /nfs/dbraw/zinc/82/06/62/556820662.db2.gz DXXMZTAZTZPXQS-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN CCCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1[C@H](CC)N(C)C ZINC000004494778 556822119 /nfs/dbraw/zinc/82/21/19/556822119.db2.gz KUPWRPDFPWNFGI-IBGZPJMESA-N 0 0 431.650 4.947 50 0 IJAARN Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccc(Cl)cc5)c4[nH]3)CC2)c1 ZINC000064611597 556825729 /nfs/dbraw/zinc/82/57/29/556825729.db2.gz GYXUBRLQANKZJK-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN Cc1cccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662234 556826204 /nfs/dbraw/zinc/82/62/04/556826204.db2.gz SPBXKYDDBAQYBO-VWLOTQADSA-N 0 0 435.593 4.875 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000064800303 556827294 /nfs/dbraw/zinc/82/72/94/556827294.db2.gz JHGMMIBUMNFEDN-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN O=C(c1ccc2oc(=O)n(Cc3ccccc3)c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000064893994 556828875 /nfs/dbraw/zinc/82/88/75/556828875.db2.gz HKPNADVBKBVFLH-UHFFFAOYSA-N 0 0 426.516 4.738 50 0 IJAARN COc1cccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)c1 ZINC000033068727 556829170 /nfs/dbraw/zinc/82/91/70/556829170.db2.gz MCBOBDDASZWRMX-UHFFFAOYSA-N 0 0 443.572 4.946 50 0 IJAARN CC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccccc5F)CC4)c3c2)CC1 ZINC000065002349 556830784 /nfs/dbraw/zinc/83/07/84/556830784.db2.gz BMRMXDYVZONXNR-UHFFFAOYSA-N 0 0 432.543 4.573 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000065002912 556831299 /nfs/dbraw/zinc/83/12/99/556831299.db2.gz OXWRUAUDUOKEPE-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)c1cc(C)nc3c1c(C)nn3C)CCCC2 ZINC000019632328 556833088 /nfs/dbraw/zinc/83/30/88/556833088.db2.gz XWRGPNRTZNOUAC-CYBMUJFWSA-N 0 0 440.569 4.733 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CCSCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000019632527 556833413 /nfs/dbraw/zinc/83/34/13/556833413.db2.gz WGIPTKISAGOHBN-VXKWHMMOSA-N 0 0 440.653 4.775 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CCSCCC(=O)N[C@H](C)CCc1ccccc1 ZINC000019632534 556833458 /nfs/dbraw/zinc/83/34/58/556833458.db2.gz WGIPTKISAGOHBN-FGZHOGPDSA-N 0 0 440.653 4.775 50 0 IJAARN O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1 ZINC000019633271 556833532 /nfs/dbraw/zinc/83/35/32/556833532.db2.gz YQAZGMBPOYDMAR-UTCJRWHESA-N 0 0 441.331 4.741 50 0 IJAARN COc1ccc(C(=O)N[C@@H](Cn2cccn2)C(C)(C)C)cc1COc1ccc(Cl)cc1 ZINC000019635088 556834709 /nfs/dbraw/zinc/83/47/09/556834709.db2.gz SOSDGFWYBYQSDW-QFIPXVFZSA-N 0 0 441.959 4.969 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000065363237 556834934 /nfs/dbraw/zinc/83/49/34/556834934.db2.gz FUBRKYUJDDCWNW-UHFFFAOYSA-N 0 0 446.555 4.508 50 0 IJAARN C[C@H](c1ccccc1)n1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O ZINC000008852942 556850178 /nfs/dbraw/zinc/85/01/78/556850178.db2.gz MRWWDLMMZFEXGB-GOSISDBHSA-N 0 0 429.545 4.761 50 0 IJAARN COc1cc(CSc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)cc(OC)c1 ZINC000008853770 556850250 /nfs/dbraw/zinc/85/02/50/556850250.db2.gz NHVKTSMAXKLGAB-UHFFFAOYSA-N 0 0 444.578 4.951 50 0 IJAARN COc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1 ZINC000008875950 556851629 /nfs/dbraw/zinc/85/16/29/556851629.db2.gz RQQATLWMIZCPAD-UHFFFAOYSA-N 0 0 449.561 4.710 50 0 IJAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1 ZINC000033071616 556851835 /nfs/dbraw/zinc/85/18/35/556851835.db2.gz IYPCMOHGAZZBTP-INIZCTEOSA-N 0 0 428.989 4.514 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)s2)cc1 ZINC000033113347 556860254 /nfs/dbraw/zinc/86/02/54/556860254.db2.gz NIPBHBNXGWLDEC-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)n1 ZINC000033130519 556870557 /nfs/dbraw/zinc/87/05/57/556870557.db2.gz JWNBRCZGENOJOD-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000033131089 556871702 /nfs/dbraw/zinc/87/17/02/556871702.db2.gz BLRIHURTMHKNRT-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1C ZINC000033141997 556877372 /nfs/dbraw/zinc/87/73/72/556877372.db2.gz URHPVZYFPABZSC-HXUWFJFHSA-N 0 0 430.552 4.980 50 0 IJAARN COc1ccc(C)cc1NC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168634 556880620 /nfs/dbraw/zinc/88/06/20/556880620.db2.gz MTKNXAWVYUBXPV-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCCc1ccccc1 ZINC000033173589 556883585 /nfs/dbraw/zinc/88/35/85/556883585.db2.gz QEVVTBQAEZIWOE-UHFFFAOYSA-N 0 0 438.471 4.834 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033249560 556889546 /nfs/dbraw/zinc/88/95/46/556889546.db2.gz ZCRCCFQDYWQSRO-MUUNZHRXSA-N 0 0 441.575 4.937 50 0 IJAARN CCc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc2)no1 ZINC000033254454 556890514 /nfs/dbraw/zinc/89/05/14/556890514.db2.gz FBNNMFZUZXVNLS-UHFFFAOYSA-N 0 0 446.551 4.913 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)Nc1ccc(Cl)cc1F ZINC000033258449 556896196 /nfs/dbraw/zinc/89/61/96/556896196.db2.gz MCDSHQGOFLKPBG-UHFFFAOYSA-N 0 0 442.878 4.555 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4cccc(OC)c4)CC3)ccc21 ZINC000019773686 556913446 /nfs/dbraw/zinc/91/34/46/556913446.db2.gz PKGYFKYQGFCZFQ-UHFFFAOYSA-N 0 0 427.548 4.781 50 0 IJAARN c1ccc(CNc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000019848825 556930449 /nfs/dbraw/zinc/93/04/49/556930449.db2.gz QUOMWKXTEHKCME-UHFFFAOYSA-N 0 0 431.565 4.567 50 0 IJAARN CCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019851343 556930936 /nfs/dbraw/zinc/93/09/36/556930936.db2.gz QLDTUEDNLIRZHR-UHFFFAOYSA-N 0 0 444.626 4.820 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000019858253 556931719 /nfs/dbraw/zinc/93/17/19/556931719.db2.gz STPYFQOEBSKAJN-QFIPXVFZSA-N 0 0 448.588 4.843 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859666 556932137 /nfs/dbraw/zinc/93/21/37/556932137.db2.gz OMRKXYTVDDVARF-IBGZPJMESA-N 0 0 442.968 4.674 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859878 556932346 /nfs/dbraw/zinc/93/23/46/556932346.db2.gz SNGNWSZELDNXKB-KRWDZBQOSA-N 0 0 434.989 4.644 50 0 IJAARN COc1ccc(-c2cc(=O)n(-c3ccccc3)c(SCC(=O)c3ccccc3)n2)cc1 ZINC000019892258 556939889 /nfs/dbraw/zinc/93/98/89/556939889.db2.gz MRISYEQDTDSUFN-UHFFFAOYSA-N 0 0 428.513 4.883 50 0 IJAARN CN1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000019911231 556943346 /nfs/dbraw/zinc/94/33/46/556943346.db2.gz WKWDZCCCJWFCNH-UHFFFAOYSA-N 0 0 434.590 4.525 50 0 IJAARN Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000019913640 556943679 /nfs/dbraw/zinc/94/36/79/556943679.db2.gz UKICBSNMAIAMKQ-NRFANRHFSA-N 0 0 446.982 4.673 50 0 IJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(F)c(Cl)c3)c2)C1 ZINC000033264307 556973769 /nfs/dbraw/zinc/97/37/69/556973769.db2.gz ZEXDADJZHJPEHR-LJQANCHMSA-N 0 0 431.939 4.707 50 0 IJAARN O=S(=O)(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000073630923 556977210 /nfs/dbraw/zinc/97/72/10/556977210.db2.gz TXLHLROQRDSFBU-UHFFFAOYSA-N 0 0 442.345 4.578 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1C ZINC000033266621 556977399 /nfs/dbraw/zinc/97/73/99/556977399.db2.gz QAMYRVAPBKERCD-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN CC1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000020064841 556978153 /nfs/dbraw/zinc/97/81/53/556978153.db2.gz OWUGWLLYUGUELQ-UHFFFAOYSA-N 0 0 437.613 4.927 50 0 IJAARN CCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000097002011 556978594 /nfs/dbraw/zinc/97/85/94/556978594.db2.gz OWGSHFKIGNGORT-UHFFFAOYSA-N 0 0 434.556 4.929 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046076 556979617 /nfs/dbraw/zinc/97/96/17/556979617.db2.gz YVPCDJJNWZBXTP-RTWAWAEBSA-N 0 0 432.927 4.783 50 0 IJAARN CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000097104955 556987630 /nfs/dbraw/zinc/98/76/30/556987630.db2.gz ZCYBRXADZIRPAU-QHCPKHFHSA-N 0 0 439.968 4.946 50 0 IJAARN Cc1nc2ccccc2c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1C(C)C ZINC000097104287 556987667 /nfs/dbraw/zinc/98/76/67/556987667.db2.gz DAIFDZNOVLLSGZ-UHFFFAOYSA-N 0 0 445.972 4.823 50 0 IJAARN CC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000071976540 556993126 /nfs/dbraw/zinc/99/31/26/556993126.db2.gz PIEZNGDETKNOLY-LJQANCHMSA-N 0 0 435.351 4.876 50 0 IJAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)Cc1nc(-c2ccncc2)no1 ZINC000020207132 556998359 /nfs/dbraw/zinc/99/83/59/556998359.db2.gz WOXRTOZXLVRALC-UHFFFAOYSA-N 0 0 429.402 4.746 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994259 557002989 /nfs/dbraw/zinc/00/29/89/557002989.db2.gz DGFINYODXCLKNS-XDHOZWIPSA-N 0 0 435.871 4.540 50 0 IJAARN CCn1c2cc(NC(=O)Nc3cccc(Cl)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994424 557014639 /nfs/dbraw/zinc/01/46/39/557014639.db2.gz CFFHPXBWGRQWTO-UHFFFAOYSA-N 0 0 427.936 4.740 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2 ZINC000045994497 557014878 /nfs/dbraw/zinc/01/48/78/557014878.db2.gz RTNYIKIFKVDAOR-UHFFFAOYSA-N 0 0 425.488 4.537 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3C)c3nc(OCC(=O)NC(C)C)cc(C)c23)cc1 ZINC000045986583 557015829 /nfs/dbraw/zinc/01/58/29/557015829.db2.gz MZHUEVTZLQOXBS-UHFFFAOYSA-N 0 0 444.535 4.616 50 0 IJAARN Cn1c(CN2CCN(c3ccccc3NC(=O)Nc3ccccc3)CC2)nc2ccccc21 ZINC000020428262 557016250 /nfs/dbraw/zinc/01/62/50/557016250.db2.gz FTEWKTOIQTVHSO-UHFFFAOYSA-N 0 0 440.551 4.540 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)NCc1ccc(C)cc1)cc2-c1ccccc1 ZINC000045992302 557017929 /nfs/dbraw/zinc/01/79/29/557017929.db2.gz CAHLDOKJHUCYEW-LJQANCHMSA-N 0 0 428.536 4.819 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NC[C@@H](C)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000010731230 557022007 /nfs/dbraw/zinc/02/20/07/557022007.db2.gz SWVQKZBIJWLUQZ-LJQANCHMSA-N 0 0 443.576 4.650 50 0 IJAARN CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010822760 557030425 /nfs/dbraw/zinc/03/04/25/557030425.db2.gz HVFHCNDXXRSZPL-HNNXBMFYSA-N 0 0 442.562 4.615 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078707 557033615 /nfs/dbraw/zinc/03/36/15/557033615.db2.gz MPEUJBIWNSLIRR-UHFFFAOYSA-N 0 0 430.504 4.858 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)cc1OC ZINC000046079765 557035015 /nfs/dbraw/zinc/03/50/15/557035015.db2.gz XTCXHCQVXBPZDQ-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)cc1OC ZINC000046080021 557035291 /nfs/dbraw/zinc/03/52/91/557035291.db2.gz HYBMCQQWXGBDBY-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC ZINC000017195654 557036313 /nfs/dbraw/zinc/03/63/13/557036313.db2.gz HMRUWJQEVADTQJ-FQEVSTJZSA-N 0 0 447.557 4.522 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122764 557036521 /nfs/dbraw/zinc/03/65/21/557036521.db2.gz BPHNFVGREINRAW-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)C3CCCCC3)C2)s1 ZINC000046123404 557037188 /nfs/dbraw/zinc/03/71/88/557037188.db2.gz NLYHLBDXNSUVBL-HNNXBMFYSA-N 0 0 432.977 4.730 50 0 IJAARN O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(c2cccs2)CCOCC1 ZINC000017178345 557037840 /nfs/dbraw/zinc/03/78/40/557037840.db2.gz ASYUTLPMGPEUIX-UHFFFAOYSA-N 0 0 446.616 4.730 50 0 IJAARN C[C@@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181368 557045445 /nfs/dbraw/zinc/04/54/45/557045445.db2.gz IENLYVGTSNQQPQ-WZONZLPQSA-N 0 0 439.556 4.928 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181754 557045868 /nfs/dbraw/zinc/04/58/68/557045868.db2.gz QGFLNGCVAWSCID-CJFMBICVSA-N 0 0 449.620 4.747 50 0 IJAARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022923196 557047906 /nfs/dbraw/zinc/04/79/06/557047906.db2.gz XCKCKKXKQWRSQK-JOCHJYFZSA-N 0 0 435.656 4.932 50 0 IJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000048237156 557047970 /nfs/dbraw/zinc/04/79/70/557047970.db2.gz BNRQGMSVLKSQQY-UHFFFAOYSA-N 0 0 440.468 4.793 50 0 IJAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271532 557049372 /nfs/dbraw/zinc/04/93/72/557049372.db2.gz HWZPEKACTPUONH-INIZCTEOSA-N 0 0 434.521 4.590 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccc(Cl)cc4)nc3n2)cc1 ZINC000033271815 557049451 /nfs/dbraw/zinc/04/94/51/557049451.db2.gz DVPIQAWAXXHVOV-UHFFFAOYSA-N 0 0 445.832 4.702 50 0 IJAARN Cc1cccc(OCc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033276516 557056637 /nfs/dbraw/zinc/05/66/37/557056637.db2.gz CEWAPCPSLTUDNN-UHFFFAOYSA-N 0 0 439.468 4.564 50 0 IJAARN COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000048280000 557057445 /nfs/dbraw/zinc/05/74/45/557057445.db2.gz UXSFFIBVFWPHET-HYFFOGBASA-N 0 0 427.520 4.817 50 0 IJAARN COc1cc(C(=O)O[C@@H](Cn2cncn2)c2ccc(Cl)cc2)ccc1OC1CCCC1 ZINC000048309360 557059972 /nfs/dbraw/zinc/05/99/72/557059972.db2.gz HWAYRWPDDJYLEB-QFIPXVFZSA-N 0 0 441.915 4.860 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1F ZINC000023126778 557065429 /nfs/dbraw/zinc/06/54/29/557065429.db2.gz JQWAVFAAFASIOL-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1F ZINC000033288293 557065501 /nfs/dbraw/zinc/06/55/01/557065501.db2.gz VMOJXGGJIICBRG-UHFFFAOYSA-N 0 0 436.487 4.580 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048325009 557065884 /nfs/dbraw/zinc/06/58/84/557065884.db2.gz YACTXTHPVAEBSH-SFTDATJTSA-N 0 0 428.561 4.907 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)c1 ZINC000033288699 557065890 /nfs/dbraw/zinc/06/58/90/557065890.db2.gz GONUIQRGZVOWCU-QFIPXVFZSA-N 0 0 446.620 4.902 50 0 IJAARN CCOc1ccc([C@H](CNC(=O)Nc2cc(C)on2)c2c[nH]c3ccccc32)cc1OC ZINC000048325146 557065930 /nfs/dbraw/zinc/06/59/30/557065930.db2.gz ZNELTMMPKYCSJC-SFHVURJKSA-N 0 0 434.496 4.825 50 0 IJAARN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000023130581 557066696 /nfs/dbraw/zinc/06/66/96/557066696.db2.gz IMKWRHRDBSRHFF-UHFFFAOYSA-N 0 0 441.576 4.967 50 0 IJAARN CN(C)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000023174858 557070533 /nfs/dbraw/zinc/07/05/33/557070533.db2.gz CEGHYZGRNAHEGM-JOCHJYFZSA-N 0 0 448.954 4.878 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000048343441 557071279 /nfs/dbraw/zinc/07/12/79/557071279.db2.gz LRDBAHVOEHDCDQ-KRWDZBQOSA-N 0 0 449.256 4.711 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 ZINC000033289817 557071626 /nfs/dbraw/zinc/07/16/26/557071626.db2.gz GKULVQZYCCSFCO-QZMUEMGWSA-N 0 0 444.535 4.813 50 0 IJAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3F)c2)n1 ZINC000033297750 557073251 /nfs/dbraw/zinc/07/32/51/557073251.db2.gz MHQJORFHLJWKDN-UHFFFAOYSA-N 0 0 428.551 4.827 50 0 IJAARN COc1ccc(NC(=O)CSc2nccc3c2ccn3Cc2ccccc2)c(OC)c1 ZINC000033298392 557074218 /nfs/dbraw/zinc/07/42/18/557074218.db2.gz HCSDVPGYSVMCHC-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000033298746 557074550 /nfs/dbraw/zinc/07/45/50/557074550.db2.gz RLGUUQGOPYXPGJ-UHFFFAOYSA-N 0 0 428.901 4.513 50 0 IJAARN Cc1cc(-n2c(C)cc(C=C3NC(=S)N(Cc4ccccc4Cl)C3=O)c2C)no1 ZINC000048374996 557076391 /nfs/dbraw/zinc/07/63/91/557076391.db2.gz WLZMPZVWLLBZDA-ZDLGFXPLSA-N 0 0 426.929 4.713 50 0 IJAARN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCc2c(F)cc(F)cc21 ZINC000048374834 557076953 /nfs/dbraw/zinc/07/69/53/557076953.db2.gz YXTOHCWHVQWGLC-UHFFFAOYSA-N 0 0 427.472 4.532 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000033299281 557077671 /nfs/dbraw/zinc/07/76/71/557077671.db2.gz AHAWYEPSQQFYNK-NSHDSACASA-N 0 0 430.473 4.812 50 0 IJAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000023257447 557079910 /nfs/dbraw/zinc/07/99/10/557079910.db2.gz HHUSSOPTKYZRGK-KRWDZBQOSA-N 0 0 430.474 4.943 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000049001777 557081101 /nfs/dbraw/zinc/08/11/01/557081101.db2.gz UUIHXHNYVQXFAO-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005195 557084259 /nfs/dbraw/zinc/08/42/59/557084259.db2.gz JOFCZDSJMWUHQZ-QGZVFWFLSA-N 0 0 432.524 4.873 50 0 IJAARN O=C(c1ccc(F)cc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023332976 557084509 /nfs/dbraw/zinc/08/45/09/557084509.db2.gz ITMGUIAOYHHPLV-UHFFFAOYSA-N 0 0 428.429 4.790 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(-c2ccc(F)cc2)n1 ZINC000049006946 557085718 /nfs/dbraw/zinc/08/57/18/557085718.db2.gz JNQWRNGDONXLCY-UHFFFAOYSA-N 0 0 434.240 4.510 50 0 IJAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1C(F)(F)F ZINC000049007784 557085970 /nfs/dbraw/zinc/08/59/70/557085970.db2.gz YFXKQXUMXTVQII-UHFFFAOYSA-N 0 0 448.470 4.748 50 0 IJAARN COc1ccc(-c2nnc(COc3cccc(NC(=O)/C=C/c4ccc(C)o4)c3)o2)cc1 ZINC000033307381 557086735 /nfs/dbraw/zinc/08/67/35/557086735.db2.gz RZQNTZSCRSEEGY-OUKQBFOZSA-N 0 0 431.448 4.878 50 0 IJAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3ccc4sc(C)nc4c3)cn2)cc1 ZINC000049028231 557088583 /nfs/dbraw/zinc/08/85/83/557088583.db2.gz UEMYYDTZYUVUFU-UHFFFAOYSA-N 0 0 448.548 4.646 50 0 IJAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)cc1 ZINC000033308363 557088801 /nfs/dbraw/zinc/08/88/01/557088801.db2.gz ZPXMOCOAIBOGTD-UHFFFAOYSA-N 0 0 442.475 4.835 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(C)c4C)CC3=O)c2)c1 ZINC000033308626 557089488 /nfs/dbraw/zinc/08/94/88/557089488.db2.gz IFYXHNSZFMTVRE-OAQYLSRUSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(F)cc4C)CC3=O)c2)c1 ZINC000033308647 557089550 /nfs/dbraw/zinc/08/95/50/557089550.db2.gz YDUCCQKGHWYJKN-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN O=S(=O)(c1ccc(NC[C@@H](c2c[nH]c3ccccc23)c2ccccc2)nc1)N1CCCC1 ZINC000023408600 557090922 /nfs/dbraw/zinc/09/09/22/557090922.db2.gz WOJOQEIVFSLEEY-JOCHJYFZSA-N 0 0 446.576 4.591 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ncn2)cc1 ZINC000049401764 557097386 /nfs/dbraw/zinc/09/73/86/557097386.db2.gz ZWNJXGBYRPSQML-UHFFFAOYSA-N 0 0 442.563 4.633 50 0 IJAARN C=Cc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404982 557100022 /nfs/dbraw/zinc/10/00/22/557100022.db2.gz CDKHFJCJGDYNPJ-UHFFFAOYSA-N 0 0 432.549 4.891 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3cccc(Cl)c3)cccn12 ZINC000049405061 557100038 /nfs/dbraw/zinc/10/00/38/557100038.db2.gz YOYCPAJBNMCOKD-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(CC)cc3)cccn12 ZINC000049405041 557100162 /nfs/dbraw/zinc/10/01/62/557100162.db2.gz SRJKTNNBRVPKBO-UHFFFAOYSA-N 0 0 434.565 4.558 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000023660687 557104723 /nfs/dbraw/zinc/10/47/23/557104723.db2.gz ZFBRYEYZHKUQPS-UHFFFAOYSA-N 0 0 425.550 4.936 50 0 IJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccccc2C)n1 ZINC000033325023 557107029 /nfs/dbraw/zinc/10/70/29/557107029.db2.gz PTJZQWVMCSZZCL-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)c1 ZINC000023699054 557107294 /nfs/dbraw/zinc/10/72/94/557107294.db2.gz DMOWHZLNKNSSMW-MRXNPFEDSA-N 0 0 426.494 4.588 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325620 557107460 /nfs/dbraw/zinc/10/74/60/557107460.db2.gz QFZPCELKMPLYDI-NRFANRHFSA-N 0 0 437.565 4.594 50 0 IJAARN COc1ccc(-c2nnc([C@@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000023701625 557107969 /nfs/dbraw/zinc/10/79/69/557107969.db2.gz IICHKFJOVKSBSR-OAHLLOKOSA-N 0 0 432.446 4.647 50 0 IJAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)NCc1ccccc1 ZINC000086069968 557108363 /nfs/dbraw/zinc/10/83/63/557108363.db2.gz RVLMRJQCRYTTNX-UHFFFAOYSA-N 0 0 427.552 4.565 50 0 IJAARN Cc1c(C(=O)N2CCC(Oc3nc4c(cccc4F)s3)CC2)cnn1-c1ccccc1 ZINC000049432224 557109891 /nfs/dbraw/zinc/10/98/91/557109891.db2.gz OBXUWRQCLCBYOO-UHFFFAOYSA-N 0 0 436.512 4.613 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000049523049 557114503 /nfs/dbraw/zinc/11/45/03/557114503.db2.gz NUTQKHUGFXWXOC-UHFFFAOYSA-N 0 0 428.532 4.923 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000033331941 557116643 /nfs/dbraw/zinc/11/66/43/557116643.db2.gz CJUHYCHMKBQYHR-MIRXNBLZSA-N 0 0 433.552 4.965 50 0 IJAARN CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000000944411 557117803 /nfs/dbraw/zinc/11/78/03/557117803.db2.gz BHKYMZVWBBLDPM-UHFFFAOYSA-N 0 0 425.186 4.555 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)/C=C\c1ccc(F)cc1 ZINC000033332792 557117884 /nfs/dbraw/zinc/11/78/84/557117884.db2.gz QMLJKPTXRLMTEB-RAXLEYEMSA-N 0 0 432.517 4.506 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000113628240 557118369 /nfs/dbraw/zinc/11/83/69/557118369.db2.gz JYFMIVXVMPBZSJ-VXKWHMMOSA-N 0 0 434.561 4.996 50 0 IJAARN Cc1oc2cc(Br)c(OCC(=O)OC(C)(C)C)cc2c1C(=O)OC(C)C ZINC000000623942 557121617 /nfs/dbraw/zinc/12/16/17/557121617.db2.gz XVFDTMUWVJHSRV-UHFFFAOYSA-N 0 0 427.291 4.789 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023955734 557127568 /nfs/dbraw/zinc/12/75/68/557127568.db2.gz CCZVOJWJPDKCSZ-UHFFFAOYSA-N 0 0 431.561 4.833 50 0 IJAARN O=C(CCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 ZINC000023956653 557127954 /nfs/dbraw/zinc/12/79/54/557127954.db2.gz PFTSHKKNSDGSIE-UHFFFAOYSA-N 0 0 443.572 4.757 50 0 IJAARN Cc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCSc4ccc(F)cc43)c2c1C ZINC000023968035 557128296 /nfs/dbraw/zinc/12/82/96/557128296.db2.gz FRVSXMRRIWVAMD-KRWDZBQOSA-N 0 0 444.601 4.928 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023968074 557128305 /nfs/dbraw/zinc/12/83/05/557128305.db2.gz PWJIFJWJBYKHBB-UHFFFAOYSA-N 0 0 443.572 4.687 50 0 IJAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000023984244 557129945 /nfs/dbraw/zinc/12/99/45/557129945.db2.gz OBVKUJAJHVOEGF-CYBMUJFWSA-N 0 0 428.451 4.563 50 0 IJAARN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OCCc1ccccc1 ZINC000000679172 557134683 /nfs/dbraw/zinc/13/46/83/557134683.db2.gz UMVJPVVUEXPRTM-LDADJPATSA-N 0 0 430.298 4.785 50 0 IJAARN COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccccc1 ZINC000000686773 557136474 /nfs/dbraw/zinc/13/64/74/557136474.db2.gz UXIOCAYYRXEZKM-HMAPJEAMSA-N 0 0 428.488 4.676 50 0 IJAARN Cc1csc(=O)n1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000024178444 557139718 /nfs/dbraw/zinc/13/97/18/557139718.db2.gz XROOAQFMSYTLMS-UHFFFAOYSA-N 0 0 449.454 4.518 50 0 IJAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000014729285 557147767 /nfs/dbraw/zinc/14/77/67/557147767.db2.gz WMMZPFZAFPESJV-DEOSSOPVSA-N 0 0 436.552 4.688 50 0 IJAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000014729284 557147790 /nfs/dbraw/zinc/14/77/90/557147790.db2.gz WMMZPFZAFPESJV-XMMPIXPASA-N 0 0 436.552 4.688 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)c1 ZINC000024589032 557152286 /nfs/dbraw/zinc/15/22/86/557152286.db2.gz OGDMMOITHTVAGS-UHFFFAOYSA-N 0 0 434.561 4.615 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)s1 ZINC000024596766 557152289 /nfs/dbraw/zinc/15/22/89/557152289.db2.gz GKYJMSCDAYKSMX-UHFFFAOYSA-N 0 0 430.533 4.573 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607166 557153396 /nfs/dbraw/zinc/15/33/96/557153396.db2.gz GIIFAMUNUNMZNO-UHFFFAOYSA-N 0 0 449.016 4.952 50 0 IJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)c12 ZINC000011527485 557159549 /nfs/dbraw/zinc/15/95/49/557159549.db2.gz SNOBGQBBUXXJJT-UHFFFAOYSA-N 0 0 428.404 4.889 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc(-c4ccco4)n3)n2)c1 ZINC000024730724 557160996 /nfs/dbraw/zinc/16/09/96/557160996.db2.gz OWVIEJLQVVQUAB-UHFFFAOYSA-N 0 0 427.507 4.725 50 0 IJAARN CCc1cccc(C)c1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929301 557161684 /nfs/dbraw/zinc/16/16/84/557161684.db2.gz DPNHWIZTPFHEIZ-XMMPIXPASA-N 0 0 426.520 4.519 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929359 557161991 /nfs/dbraw/zinc/16/19/91/557161991.db2.gz LSOKKFCFJNJEJV-JOCHJYFZSA-N 0 0 432.911 4.610 50 0 IJAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)NC(c1ccccc1)c1ccccc1 ZINC000206845875 557166411 /nfs/dbraw/zinc/16/64/11/557166411.db2.gz PBJOKSGQFPDBPT-JOCHJYFZSA-N 0 0 440.503 4.634 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1 ZINC000024812106 557168395 /nfs/dbraw/zinc/16/83/95/557168395.db2.gz RSMDIXNCKBLLIW-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000207002497 557170298 /nfs/dbraw/zinc/17/02/98/557170298.db2.gz FCOKMQLZMZGIMJ-SFHVURJKSA-N 0 0 428.023 4.603 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)s2)c1Cl ZINC000024831428 557170571 /nfs/dbraw/zinc/17/05/71/557170571.db2.gz PCRWVARZSBAGBT-UHFFFAOYSA-N 0 0 439.924 4.601 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)n2C)cc1 ZINC000024832234 557170871 /nfs/dbraw/zinc/17/08/71/557170871.db2.gz QNJQYFXYKVFREL-UHFFFAOYSA-N 0 0 444.564 4.584 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1C ZINC000024864398 557172149 /nfs/dbraw/zinc/17/21/49/557172149.db2.gz RBWGIIXHHMGTHR-UHFFFAOYSA-N 0 0 430.961 4.743 50 0 IJAARN CCc1c(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 ZINC000024873879 557175929 /nfs/dbraw/zinc/17/59/29/557175929.db2.gz VMLDUMSYQUZRTJ-UHFFFAOYSA-N 0 0 427.430 4.591 50 0 IJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1 ZINC000069928939 557178675 /nfs/dbraw/zinc/17/86/75/557178675.db2.gz OEGLMAGEXLFNKK-ZIFCJYIRSA-N 0 0 429.586 4.769 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000009327933 557187014 /nfs/dbraw/zinc/18/70/14/557187014.db2.gz NFBARNLQKMPPJF-UHFFFAOYSA-N 0 0 437.565 4.739 50 0 IJAARN CNC(=O)c1ccc(/C=C\C(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000098004793 557189419 /nfs/dbraw/zinc/18/94/19/557189419.db2.gz ZSFTVJAXDWGZDA-VJESUMGBSA-N 0 0 436.458 4.567 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(C)c1 ZINC000025040108 557189905 /nfs/dbraw/zinc/18/99/05/557189905.db2.gz WIKMNNGXEWMVSW-UHFFFAOYSA-N 0 0 440.547 4.638 50 0 IJAARN Cc1ccc(O)c(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)n2CC(C)C)c1 ZINC000009583038 557190646 /nfs/dbraw/zinc/19/06/46/557190646.db2.gz PPDDEVJGROUCJP-UHFFFAOYSA-N 0 0 444.988 4.923 50 0 IJAARN O=C(c1c[nH]c2ccc(Br)cc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025050127 557191394 /nfs/dbraw/zinc/19/13/94/557191394.db2.gz WVPYQRXOFAFDKO-GOSISDBHSA-N 0 0 427.298 4.679 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c(Cl)c1 ZINC000025062398 557193231 /nfs/dbraw/zinc/19/32/31/557193231.db2.gz KADDTPLKLVTRRG-UHFFFAOYSA-N 0 0 440.352 4.951 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3nnc4ccccn43)c3c(C)noc3n2)s1 ZINC000025065221 557193813 /nfs/dbraw/zinc/19/38/13/557193813.db2.gz NWGOWDNJBZCGOY-QGZVFWFLSA-N 0 0 444.520 4.588 50 0 IJAARN CC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc(C)ccc4C)cn32)CC1 ZINC000096290086 557194379 /nfs/dbraw/zinc/19/43/79/557194379.db2.gz RESAIYXPRQEJJM-UHFFFAOYSA-N 0 0 438.575 4.949 50 0 IJAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@@H](c2ccccc2)C=C(c2ccccc2)N=3)S1 ZINC000003186306 557199591 /nfs/dbraw/zinc/19/95/91/557199591.db2.gz ILZZUBGVKDHEJZ-LJQANCHMSA-N 0 0 434.611 4.971 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(F)cc3)C(=S)N[C@@H]2c2ccc(C)s2)no1 ZINC000011561425 557199900 /nfs/dbraw/zinc/19/99/00/557199900.db2.gz RYFHTNFDACAZES-LJQANCHMSA-N 0 0 442.541 4.841 50 0 IJAARN Cc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000096766512 557204747 /nfs/dbraw/zinc/20/47/47/557204747.db2.gz GGQDQYJIGOJBEG-UHFFFAOYSA-N 0 0 435.934 4.819 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)cc1OC ZINC000025337655 557204973 /nfs/dbraw/zinc/20/49/73/557204973.db2.gz SQNRCCZRAYYJRF-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN CC(C)c1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000169621115 557208480 /nfs/dbraw/zinc/20/84/80/557208480.db2.gz NEABLBKBGNYBCS-DEOSSOPVSA-N 0 0 426.520 4.772 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621120 557208634 /nfs/dbraw/zinc/20/86/34/557208634.db2.gz OHWBNWGCDFRSAB-QFIPXVFZSA-N 0 0 432.911 4.610 50 0 IJAARN CCOc1ccc(N2C(=O)C[C@H](n3c(CCc4ccccc4)nc4ccccc43)C2=O)cc1 ZINC000100972000 557208965 /nfs/dbraw/zinc/20/89/65/557208965.db2.gz QAJZIVDGALEBQY-DEOSSOPVSA-N 0 0 439.515 4.725 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)c1 ZINC000011613300 557209272 /nfs/dbraw/zinc/20/92/72/557209272.db2.gz QNHDESMEPUJQBH-UHFFFAOYSA-N 0 0 443.551 4.578 50 0 IJAARN O=C(NC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000011617137 557212796 /nfs/dbraw/zinc/21/27/96/557212796.db2.gz WLFCXJHFDLUITI-UHFFFAOYSA-N 0 0 445.500 4.977 50 0 IJAARN COc1cccc([C@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c1 ZINC000025581412 557216267 /nfs/dbraw/zinc/21/62/67/557216267.db2.gz WMNZOPPESRYYDQ-HXUWFJFHSA-N 0 0 442.972 4.694 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)o2)cc1 ZINC000011644823 557219188 /nfs/dbraw/zinc/21/91/88/557219188.db2.gz MLBCCAFWOPVTSN-CYBMUJFWSA-N 0 0 432.398 4.570 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)NCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000011643734 557219192 /nfs/dbraw/zinc/21/91/92/557219192.db2.gz ZIIGFXHQUUZUCP-UHFFFAOYSA-N 0 0 447.318 4.749 50 0 IJAARN CCn1c2ccc(C(=O)N(Cc3cccs3)Cc3ccccc3OC)cc2nc(C)c1=O ZINC000025730993 557223839 /nfs/dbraw/zinc/22/38/39/557223839.db2.gz JRDHWLKFTJERPD-UHFFFAOYSA-N 0 0 447.560 4.638 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000025739024 557223901 /nfs/dbraw/zinc/22/39/01/557223901.db2.gz SBVAPMQOYSGSTK-UHFFFAOYSA-N 0 0 447.604 4.787 50 0 IJAARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000000804879 557224314 /nfs/dbraw/zinc/22/43/14/557224314.db2.gz HNLXUDNBWLNILP-UHFFFAOYSA-N 0 0 429.476 4.817 50 0 IJAARN CSc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000010992699 557226099 /nfs/dbraw/zinc/22/60/99/557226099.db2.gz ZAXKSKINRWQZTF-UHFFFAOYSA-N 0 0 431.517 4.851 50 0 IJAARN COc1ccc2c(c1)C1=C([C@@H](c3ccccc3F)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000025783921 557226409 /nfs/dbraw/zinc/22/64/09/557226409.db2.gz ANMWZQSRUSFVKA-BJKOFHAPSA-N 0 0 444.441 4.778 50 0 IJAARN COCCCn1c(=O)c2ccccc2nc1SCc1coc(-c2cccc(F)c2)n1 ZINC000026014385 557232300 /nfs/dbraw/zinc/23/23/00/557232300.db2.gz XCESSQGAGQHOSP-UHFFFAOYSA-N 0 0 425.485 4.519 50 0 IJAARN C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000026055349 557232996 /nfs/dbraw/zinc/23/29/96/557232996.db2.gz WPRIFUYMGSKYIV-SFHVURJKSA-N 0 0 446.580 4.826 50 0 IJAARN COc1cc(CNC(=O)c2ccccc2Br)ccc1OCc1ccccc1 ZINC000018105771 557237237 /nfs/dbraw/zinc/23/72/37/557237237.db2.gz QAQUHQFGHLJDOG-UHFFFAOYSA-N 0 0 426.310 4.967 50 0 IJAARN COc1ccc2c(c1)c(CCN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl ZINC000026381513 557240206 /nfs/dbraw/zinc/24/02/06/557240206.db2.gz FSFZRNZSZYDVLI-UHFFFAOYSA-N 0 0 447.362 4.828 50 0 in-vitro IJAARN CCCCCCOc1ccccc1/C=c1/sc2nc(-c3ccccc3Cl)nn2c1=O ZINC000026503230 557242961 /nfs/dbraw/zinc/24/29/61/557242961.db2.gz BMYFYNHVHMOGIZ-HMMYKYKNSA-N 0 0 439.968 4.978 50 0 IJAARN Cc1cccc(C)c1N1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1 ZINC000000811026 557243975 /nfs/dbraw/zinc/24/39/75/557243975.db2.gz QZJRPRAITATZHJ-UHFFFAOYSA-N 0 0 431.319 4.679 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000100155049 557244007 /nfs/dbraw/zinc/24/40/07/557244007.db2.gz HBJSJJPYDZPGDI-OAQYLSRUSA-N 0 0 449.576 4.597 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1Br ZINC000026548314 557244504 /nfs/dbraw/zinc/24/45/04/557244504.db2.gz BZXRVYWRZVLTFD-UHFFFAOYSA-N 0 0 449.326 4.791 50 0 IJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cncc(Br)c1 ZINC000018157431 557244567 /nfs/dbraw/zinc/24/45/67/557244567.db2.gz IBPWVOOHSFQOHF-UHFFFAOYSA-N 0 0 433.309 4.627 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952092 557247098 /nfs/dbraw/zinc/24/70/98/557247098.db2.gz KJJJNKAFPKXUCJ-UHFFFAOYSA-N 0 0 445.548 4.668 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000026787846 557248908 /nfs/dbraw/zinc/24/89/08/557248908.db2.gz NAUOTDSQVAZBLQ-KRWDZBQOSA-N 0 0 433.483 4.581 50 0 IJAARN COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)Nc3ccccc3Cl)sc2=S)c1 ZINC000032952504 557250150 /nfs/dbraw/zinc/25/01/50/557250150.db2.gz KEFMBUZNGLPSKK-UHFFFAOYSA-N 0 0 433.942 4.851 50 0 IJAARN COc1ccc([C@H](NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C(C)C)cc1OC ZINC000604418547 557250361 /nfs/dbraw/zinc/25/03/61/557250361.db2.gz QCFPVJOLEOUZFL-HSZRJFAPSA-N 0 0 436.556 4.866 50 0 IJAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2nc3ccccc3o2)cc1OC ZINC000018274923 557254896 /nfs/dbraw/zinc/25/48/96/557254896.db2.gz UAGWVCHRKNGMPU-UHFFFAOYSA-N 0 0 438.461 4.516 50 0 IJAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000027020337 557254968 /nfs/dbraw/zinc/25/49/68/557254968.db2.gz GWUCOYGFMHFCLQ-KRWDZBQOSA-N 0 0 444.274 4.583 50 0 IJAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000101192121 557262913 /nfs/dbraw/zinc/26/29/13/557262913.db2.gz TZVNYUAKPNQVII-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000000822129 557268552 /nfs/dbraw/zinc/26/85/52/557268552.db2.gz UFBYTGBKCUFPLJ-UHFFFAOYSA-N 0 0 437.945 4.876 50 0 IJAARN Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027663288 557269358 /nfs/dbraw/zinc/26/93/58/557269358.db2.gz MVSMTUZFSQFDGV-RUZDIDTESA-N 0 0 439.471 4.565 50 0 IJAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000027664610 557270579 /nfs/dbraw/zinc/27/05/79/557270579.db2.gz CLKQFTNVXMTCPN-NRFANRHFSA-N 0 0 428.444 4.772 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000000827144 557270710 /nfs/dbraw/zinc/27/07/10/557270710.db2.gz FAMYATHVJGZCCP-HJTPGIPUSA-N 0 0 446.569 4.715 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3sc(C)c(CC)c3c(=O)n2C[C@H]2CCCO2)n1 ZINC000027771908 557273500 /nfs/dbraw/zinc/27/35/00/557273500.db2.gz WBYKHUAYPUHQPA-ZIAGYGMSSA-N 0 0 448.614 4.697 50 0 IJAARN COc1ccc(-c2nsc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1OC ZINC000027793643 557274426 /nfs/dbraw/zinc/27/44/26/557274426.db2.gz RAKRDCGLYQDKDD-UHFFFAOYSA-N 0 0 427.526 4.672 50 0 IJAARN COc1cc([C@@H]2CC(c3ccc(Cl)cc3Cl)=Nc3ncnn32)cc(OC)c1OC ZINC000101032313 557281641 /nfs/dbraw/zinc/28/16/41/557281641.db2.gz HFLMTUAFIMJWFQ-INIZCTEOSA-N 0 0 433.295 4.667 50 0 IJAARN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N2C(CC(=O)NCC(C)C)=CSC2=N1 ZINC000101387051 557282151 /nfs/dbraw/zinc/28/21/51/557282151.db2.gz AVVAFNVOYIQGJQ-OAQYLSRUSA-N 0 0 441.597 4.766 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2cc(=O)n3nc(-c4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000101411877 557284462 /nfs/dbraw/zinc/28/44/62/557284462.db2.gz ZYAMNVIJSLZZLM-UHFFFAOYSA-N 0 0 428.920 4.870 50 0 IJAARN O=C(CCCc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1 ZINC000014056618 557293263 /nfs/dbraw/zinc/29/32/63/557293263.db2.gz WWHKEKHCTYCZDM-UHFFFAOYSA-N 0 0 434.503 4.815 50 0 IJAARN Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[nH]c3n2)cc1Cl ZINC000101796922 557298552 /nfs/dbraw/zinc/29/85/52/557298552.db2.gz AASFNIRWDBBHPS-UHFFFAOYSA-N 0 0 436.947 4.727 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827713 557299542 /nfs/dbraw/zinc/29/95/42/557299542.db2.gz WABWLLBQRJFQDR-QGZVFWFLSA-N 0 0 434.927 4.877 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000102644492 557304530 /nfs/dbraw/zinc/30/45/30/557304530.db2.gz FCVOJQGHGGDHIQ-ZNOIYHFQSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000101880553 557304531 /nfs/dbraw/zinc/30/45/31/557304531.db2.gz CGVGRSQQUFZWTN-UHFFFAOYSA-N 0 0 426.520 4.811 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3cccc(Cl)c3)C(=O)c3ccccc3)nn2c1=O ZINC000101878486 557304588 /nfs/dbraw/zinc/30/45/88/557304588.db2.gz NIEMREJZFQYKAT-UHFFFAOYSA-N 0 0 449.942 4.569 50 0 IJAARN O=C(CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O)Nc1ccc2c(c1)CCC2 ZINC000101880838 557304945 /nfs/dbraw/zinc/30/49/45/557304945.db2.gz VSFJQPCPWSYVQG-UHFFFAOYSA-N 0 0 444.922 4.720 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1Oc1ccccc1 ZINC000014115423 557305471 /nfs/dbraw/zinc/30/54/71/557305471.db2.gz UIGPBPFMZPTPCI-UHFFFAOYSA-N 0 0 430.485 4.780 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)Nc3nnc(SCc4ccccc4F)s3)c2O1 ZINC000014123828 557306110 /nfs/dbraw/zinc/30/61/10/557306110.db2.gz OQYSFHHCQPAROA-UHFFFAOYSA-N 0 0 445.541 4.701 50 0 IJAARN COC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000014129539 557308087 /nfs/dbraw/zinc/30/80/87/557308087.db2.gz LYORUHDGCZVBTH-UHFFFAOYSA-N 0 0 429.925 4.518 50 0 IJAARN O=C(NC1CC1)[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000084544627 557309911 /nfs/dbraw/zinc/30/99/11/557309911.db2.gz POCANYUJMUGOJT-MHZLTWQESA-N 0 0 436.559 4.708 50 0 IJAARN COC(=O)c1ccc2c(c1)nc(CN(CCc1ccccc1)Cc1ccc(C)s1)[nH]c2=O ZINC000032759819 557315284 /nfs/dbraw/zinc/31/52/84/557315284.db2.gz SCKLSKJFSQZECN-UHFFFAOYSA-N 0 0 447.560 4.737 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1nc2ccccc2nc1N1CCCCC1 ZINC000032958385 557319125 /nfs/dbraw/zinc/31/91/25/557319125.db2.gz UNZNHOMRVVEMFG-UHFFFAOYSA-N 0 0 429.293 4.774 50 0 IJAARN C[C@@H](NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000033048976 557323059 /nfs/dbraw/zinc/32/30/59/557323059.db2.gz BZMHHBVIBGGWFE-OAHLLOKOSA-N 0 0 435.886 4.733 50 0 IJAARN Cc1ncsc1C(=O)N1C[C@@H](C(C)C)N(C(=O)c2scnc2C)c2ccccc21 ZINC000072307941 557326790 /nfs/dbraw/zinc/32/67/90/557326790.db2.gz YNJBHPXZFAXRME-KRWDZBQOSA-N 0 0 426.567 4.548 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)s1 ZINC000033311120 557332622 /nfs/dbraw/zinc/33/26/22/557332622.db2.gz WLBXYJPMBYHYTD-LJQANCHMSA-N 0 0 426.582 4.614 50 0 IJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014673340 557347694 /nfs/dbraw/zinc/34/76/94/557347694.db2.gz FDUVUGCQAFNKJI-UHFFFAOYSA-N 0 0 432.307 4.631 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(C)c1 ZINC000023351773 557350513 /nfs/dbraw/zinc/35/05/13/557350513.db2.gz JESSEFSRGJQXAZ-HXUWFJFHSA-N 0 0 434.609 4.572 50 0 IJAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(C)nn4C(C)(C)C)cc3)n2)cc1 ZINC000023449529 557356649 /nfs/dbraw/zinc/35/66/49/557356649.db2.gz UZGNETYDMIBINS-UHFFFAOYSA-N 0 0 443.551 4.942 50 0 IJAARN COc1cc([C@@H]2c3c(N)c(C(C)=O)sc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000102594736 557357257 /nfs/dbraw/zinc/35/72/57/557357257.db2.gz NVUDPOVWVAWLJJ-INIZCTEOSA-N 0 0 428.510 4.773 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c2c1Cc1ccccc1-2 ZINC000023439191 557357464 /nfs/dbraw/zinc/35/74/64/557357464.db2.gz ATASWGYJEUAFCM-KRWDZBQOSA-N 0 0 429.520 4.635 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000023439492 557357713 /nfs/dbraw/zinc/35/77/13/557357713.db2.gz BFQSDYPDUBOROJ-HFJWLAOPSA-N 0 0 447.531 4.654 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC[C@H](Cc4nc(-c5ccccc5C)no4)C3)[nH]c2c1 ZINC000220810483 557367226 /nfs/dbraw/zinc/36/72/26/557367226.db2.gz XJKBAQVEIFMHIP-QGZVFWFLSA-N 0 0 430.508 4.630 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000102720167 557375558 /nfs/dbraw/zinc/37/55/58/557375558.db2.gz WZGPSKSACMITHU-BHIFYINESA-N 0 0 434.517 4.588 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@@H]1c1ccccc1Cl ZINC000102744615 557377428 /nfs/dbraw/zinc/37/74/28/557377428.db2.gz VUANJWJGXBJZPA-ZUOKHONESA-N 0 0 447.988 4.783 50 0 IJAARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102739059 557380228 /nfs/dbraw/zinc/38/02/28/557380228.db2.gz WTGWVVNWSIZOJE-DNVJHFABSA-N 0 0 448.906 4.708 50 0 IJAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1 ZINC000011693426 557390819 /nfs/dbraw/zinc/39/08/19/557390819.db2.gz DBRGLJMHFWCCCS-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(C(F)(F)F)cc1 ZINC000024022517 557391152 /nfs/dbraw/zinc/39/11/52/557391152.db2.gz UOCJPNGXISLMQK-UHFFFAOYSA-N 0 0 434.418 4.588 50 0 IJAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 ZINC000011693440 557391204 /nfs/dbraw/zinc/39/12/04/557391204.db2.gz RDWUBLHAQKLYEZ-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc3ccccc3c2)cc1 ZINC000102898564 557411455 /nfs/dbraw/zinc/41/14/55/557411455.db2.gz FSCPIIFZKWTHSB-RBJSKKJNSA-N 0 0 448.478 4.929 50 0 IJAARN CCOC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000004961238 557416446 /nfs/dbraw/zinc/41/64/46/557416446.db2.gz BNXKRSXPGXAQOH-UHFFFAOYSA-N 0 0 427.545 4.780 50 0 IJAARN CC(C)C[C@H](NC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000223237894 557449755 /nfs/dbraw/zinc/44/97/55/557449755.db2.gz QTLQUXLPEDJJEU-NYVOZVTQSA-N 0 0 432.568 4.648 50 0 IJAARN CN(C)C(=O)CSc1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000014798569 557456764 /nfs/dbraw/zinc/45/67/64/557456764.db2.gz PBMYZTHEIQZUKH-UHFFFAOYSA-N 0 0 432.589 4.819 50 0 IJAARN O=C(CCc1ccccc1)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000046775725 557512840 /nfs/dbraw/zinc/51/28/40/557512840.db2.gz RTJUUPGHPODTPU-UHFFFAOYSA-N 0 0 426.560 4.559 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)nn1Cc1cccc(C)c1 ZINC000020616467 557522890 /nfs/dbraw/zinc/52/28/90/557522890.db2.gz CIHAIBMBYGLDTF-UHFFFAOYSA-N 0 0 430.508 4.984 50 0 IJAARN O=S(=O)(c1cccc(-c2nnc(SC/C=C/c3ccccc3)o2)c1)N1CCCCC1 ZINC000003477829 557528055 /nfs/dbraw/zinc/52/80/55/557528055.db2.gz OWUQVIHSGIGWHI-DHZHZOJOSA-N 0 0 441.578 4.717 50 0 IJAARN COc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccc(C)cc3)n2)cc1OC ZINC000106428424 557529338 /nfs/dbraw/zinc/52/93/38/557529338.db2.gz UNMBKMWAYILAOU-UHFFFAOYSA-N 0 0 447.491 4.540 50 0 IJAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000106543174 557530116 /nfs/dbraw/zinc/53/01/16/557530116.db2.gz KHKIMAMHXXRYJP-DLBZAZTESA-N 0 0 434.989 4.594 50 0 IJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C ZINC000045670494 557545045 /nfs/dbraw/zinc/54/50/45/557545045.db2.gz KDGGQHAXUIBWLL-UHFFFAOYSA-N 0 0 426.494 4.695 50 0 IJAARN CCOc1ccc(OCC)c(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)c1 ZINC000045901637 557546675 /nfs/dbraw/zinc/54/66/75/557546675.db2.gz KLXPAUYXUPPXSA-QGZVFWFLSA-N 0 0 437.496 4.507 50 0 IJAARN CCOCCOC(=O)c1nc2ccccc2nc1Nc1ccc(Br)c(C)c1 ZINC000045901265 557546715 /nfs/dbraw/zinc/54/67/15/557546715.db2.gz ZIDDLVLCVSQEBX-UHFFFAOYSA-N 0 0 430.302 4.638 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccccc2)cc1 ZINC000045942102 557551736 /nfs/dbraw/zinc/55/17/36/557551736.db2.gz YQQUSZKHAFXFMR-DEOSSOPVSA-N 0 0 431.488 4.765 50 0 IJAARN CCOc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1 ZINC000606422256 557635860 /nfs/dbraw/zinc/63/58/60/557635860.db2.gz HVDJPSDUWVYLFQ-JIMJEQGWSA-N 0 0 436.596 4.502 50 0 IJAARN Cc1c(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)cnn1-c1ccccc1 ZINC000225474388 557727053 /nfs/dbraw/zinc/72/70/53/557727053.db2.gz QDGWDDYOLNIZPR-UHFFFAOYSA-N 0 0 440.326 4.714 50 0 IJAARN CCn1ccnc1[C@@H]1CCCCN1c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000225478907 557727693 /nfs/dbraw/zinc/72/76/93/557727693.db2.gz YRGZMJSWRIVEPT-SFHVURJKSA-N 0 0 445.596 4.975 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225506081 557731691 /nfs/dbraw/zinc/73/16/91/557731691.db2.gz GZSFYWJFSMIIIM-HSZRJFAPSA-N 0 0 448.935 4.823 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccn2C2CC2)cc1 ZINC000029074951 557732183 /nfs/dbraw/zinc/73/21/83/557732183.db2.gz OQIUPGPMEAPYFK-HNNXBMFYSA-N 0 0 436.537 4.598 50 0 IJAARN C[C@H](CNC(=O)N(C)c1ccc(Br)cc1F)c1nc(-c2ccccc2)no1 ZINC000225523214 557735375 /nfs/dbraw/zinc/73/53/75/557735375.db2.gz GTWWAPBKTYBSRH-GFCCVEGCSA-N 0 0 433.281 4.588 50 0 IJAARN O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000225602679 557749937 /nfs/dbraw/zinc/74/99/37/557749937.db2.gz RASBMIMJKXNBRQ-UHFFFAOYSA-N 0 0 436.314 4.624 50 0 IJAARN CCc1cccc(NC(=O)C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)c1 ZINC000225686293 557763534 /nfs/dbraw/zinc/76/35/34/557763534.db2.gz URYHZFQUHYEGHM-UHFFFAOYSA-N 0 0 447.720 4.632 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000226909624 557811055 /nfs/dbraw/zinc/81/10/55/557811055.db2.gz JLBMDPCAVYQBTR-ISJGIBHGSA-N 0 0 437.499 4.836 50 0 IJAARN COc1ccc(-c2cc(C(=O)N[C@@H](c3nc(-c4ccc(OC)cc4)no3)C(C)C)no2)cc1 ZINC000227156515 557812636 /nfs/dbraw/zinc/81/26/36/557812636.db2.gz VJCGDJIBBNCHDX-OAQYLSRUSA-N 0 0 448.479 4.536 50 0 IJAARN CCOC(=O)c1ccc(Nc2nnc(-c3cc4cccc(OCC)c4oc3=O)s2)cc1 ZINC000000856300 557831449 /nfs/dbraw/zinc/83/14/49/557831449.db2.gz CVBIVCXQEWTLKO-UHFFFAOYSA-N 0 0 437.477 4.631 50 0 IJAARN COc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 ZINC000000866341 557839713 /nfs/dbraw/zinc/83/97/13/557839713.db2.gz KTMIZYCZODNWAG-UHFFFAOYSA-N 0 0 434.355 4.838 50 0 IJAARN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cnoc1-c1ccc(F)cc1Cl ZINC000241144885 557845972 /nfs/dbraw/zinc/84/59/72/557845972.db2.gz JTXVROWVBXXKLP-UHFFFAOYSA-N 0 0 433.226 4.768 50 0 IJAARN CCN(C(=O)CCc1nc(-c2ccncc2)no1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000241409051 557846434 /nfs/dbraw/zinc/84/64/34/557846434.db2.gz NEEVPIBZPUCINO-HNNXBMFYSA-N 0 0 432.446 4.563 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)OCc2csc(-c3cccs3)n2)CC1 ZINC000018772861 557858231 /nfs/dbraw/zinc/85/82/31/557858231.db2.gz NBWSGJMSKWUUCH-UHFFFAOYSA-N 0 0 427.551 4.859 50 0 IJAARN COc1ccccc1NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O ZINC000000809725 562919270 /nfs/dbraw/zinc/91/92/70/562919270.db2.gz CDHKBIPNPWBEMD-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)cc1C ZINC000002152227 562925990 /nfs/dbraw/zinc/92/59/90/562925990.db2.gz WMBRJOZBZRKLMT-BUVRLJJBSA-N 0 0 427.504 4.508 50 0 IJAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NC[C@@H]1CCCO1 ZINC000002417141 562927543 /nfs/dbraw/zinc/92/75/43/562927543.db2.gz DORNVAFGAGAUGV-ZDUSSCGKSA-N 0 0 436.537 4.942 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc(OC)c1OC ZINC000002483564 562928177 /nfs/dbraw/zinc/92/81/77/562928177.db2.gz RQIVBMGQADOEAW-UHFFFAOYSA-N 0 0 439.537 4.514 50 0 IJAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724815 562930031 /nfs/dbraw/zinc/93/00/31/562930031.db2.gz KXPDXVISWMLAJO-XMMPIXPASA-N 0 0 436.458 4.936 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)cc1C ZINC000003024525 562931851 /nfs/dbraw/zinc/93/18/51/562931851.db2.gz MMSYDUZSPMHVEY-UHFFFAOYSA-N 0 0 430.545 4.864 50 0 IJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N4CCc5ccccc5C4)cc3NC2=O)cc1 ZINC000003060677 562932420 /nfs/dbraw/zinc/93/24/20/562932420.db2.gz CFGMNBVSMGXJIC-ZVHZXABRSA-N 0 0 442.540 4.979 50 0 aggregator IJAARN CCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000004199641 562942626 /nfs/dbraw/zinc/94/26/26/562942626.db2.gz WLEWYBTZDCMGAN-OAQYLSRUSA-N 0 0 443.956 4.706 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000008587248 562950257 /nfs/dbraw/zinc/95/02/57/562950257.db2.gz KGMQRTCPOLJLKC-UHFFFAOYSA-N 0 0 425.488 4.603 50 0 IJAARN CCc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3[C@@H](C)CC)cc1 ZINC000008589670 562951255 /nfs/dbraw/zinc/95/12/55/562951255.db2.gz IDLKYEFIRUJHIG-HNNXBMFYSA-N 0 0 437.569 4.601 50 0 IJAARN Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)c1 ZINC000008589601 562951277 /nfs/dbraw/zinc/95/12/77/562951277.db2.gz FKNLJKUIVOZAOT-UHFFFAOYSA-N 0 0 440.609 4.877 50 0 IJAARN CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000008591710 562952068 /nfs/dbraw/zinc/95/20/68/562952068.db2.gz GKQPIVBSQZDKRG-UHFFFAOYSA-N 0 0 428.304 4.798 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(F)cc3)c2=O)CCCC4)cc1 ZINC000008593260 562952637 /nfs/dbraw/zinc/95/26/37/562952637.db2.gz OSTFDQIKTWUIDJ-UHFFFAOYSA-N 0 0 434.536 4.843 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@H](CC)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008593805 562952845 /nfs/dbraw/zinc/95/28/45/562952845.db2.gz PLHRZLVGRZVNBP-NRFANRHFSA-N 0 0 443.551 4.660 50 0 IJAARN CCCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(OC)cc1 ZINC000008598139 562954164 /nfs/dbraw/zinc/95/41/64/562954164.db2.gz CRKQQBQKTXEETM-UHFFFAOYSA-N 0 0 442.629 4.874 50 0 IJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000008598793 562954449 /nfs/dbraw/zinc/95/44/49/562954449.db2.gz KCZZFAGRQUOVIC-UHFFFAOYSA-N 0 0 438.530 4.715 50 0 IJAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(C(F)(F)F)c1 ZINC000008599379 562954737 /nfs/dbraw/zinc/95/47/37/562954737.db2.gz BQPSVNQSKFOBQG-UHFFFAOYSA-N 0 0 434.418 4.588 50 0 IJAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008599663 562954843 /nfs/dbraw/zinc/95/48/43/562954843.db2.gz UEZJAQDQHQSGSX-HSZRJFAPSA-N 0 0 447.535 4.752 50 0 IJAARN Cc1cccc(OCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000008602017 562955813 /nfs/dbraw/zinc/95/58/13/562955813.db2.gz VLLQSDMCZIMAKO-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN CCOc1cccc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008606616 562957072 /nfs/dbraw/zinc/95/70/72/562957072.db2.gz UUAQZTPYRRDRNU-XMMPIXPASA-N 0 0 429.476 4.828 50 0 aggregator IJAARN CSc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008606667 562957105 /nfs/dbraw/zinc/95/71/05/562957105.db2.gz YYUFQXIAEUUXSM-HSZRJFAPSA-N 0 0 428.517 4.645 50 0 IJAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000008614004 562959517 /nfs/dbraw/zinc/95/95/17/562959517.db2.gz HIANUINTBTXJSV-UHFFFAOYSA-N 0 0 448.878 4.622 50 0 aggregator IJAARN CCOC(=O)CSc1cc(C[S@](=O)c2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000008666742 562960603 /nfs/dbraw/zinc/96/06/03/562960603.db2.gz VKQGQMHWPHTTBP-GDLZYMKVSA-N 0 0 446.981 4.760 50 0 IJAARN COc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)NCc2ccco2)cc1OC ZINC000008671766 562961016 /nfs/dbraw/zinc/96/10/16/562961016.db2.gz XEPFTHMPJYJXAP-UHFFFAOYSA-N 0 0 449.532 4.762 50 0 IJAARN Cc1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000008673663 562961289 /nfs/dbraw/zinc/96/12/89/562961289.db2.gz UFCGQVROWAQAGY-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 aggregator IJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)NCc1ccco1 ZINC000008686304 562962736 /nfs/dbraw/zinc/96/27/36/562962736.db2.gz OXDUKHCCTUESQV-HNNXBMFYSA-N 0 0 430.599 4.826 50 0 IJAARN Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 ZINC000017121373 563021339 /nfs/dbraw/zinc/02/13/39/563021339.db2.gz BJYRWEIRCNUCMI-UHFFFAOYSA-N 0 0 439.585 4.827 50 0 IJAARN Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000019939368 563023391 /nfs/dbraw/zinc/02/33/91/563023391.db2.gz HSDLJQVEXVZPQJ-QHCPKHFHSA-N 0 0 443.469 4.605 50 0 IJAARN C[C@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288909 563024378 /nfs/dbraw/zinc/02/43/78/563024378.db2.gz OPSSRDBGRZEICH-GAJHUEQPSA-N 0 0 443.613 4.559 50 0 IJAARN C[C@@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015948 563143015 /nfs/dbraw/zinc/14/30/15/563143015.db2.gz NMEGQXPTZNDYOB-AUSIDOKSSA-N 0 0 426.630 4.632 50 0 IJAARN CC(C)(C)OC[C@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984752 568623483 /nfs/dbraw/zinc/62/34/83/568623483.db2.gz ARVIHJOVPBUPGR-NHCUHLMSSA-N 0 0 448.966 4.650 50 0 IJAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc(Cl)c1Cl ZINC000018992478 568631159 /nfs/dbraw/zinc/63/11/59/568631159.db2.gz YQEUTYPYPSRTFY-HNNXBMFYSA-N 0 0 447.299 4.517 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c(C)c1 ZINC000000915509 568637022 /nfs/dbraw/zinc/63/70/22/568637022.db2.gz QFOYBIZEWDAUPO-UHFFFAOYSA-N 0 0 433.533 4.694 50 0 IJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000086057133 568642467 /nfs/dbraw/zinc/64/24/67/568642467.db2.gz DZDBBZKAQHOVJI-GOSISDBHSA-N 0 0 435.549 4.634 50 0 IJAARN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253610380 568644095 /nfs/dbraw/zinc/64/40/95/568644095.db2.gz NTIXPPFPXLYJCT-LNLQEZASSA-N 0 0 436.677 4.525 50 0 IJAARN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253610381 568644127 /nfs/dbraw/zinc/64/41/27/568644127.db2.gz NTIXPPFPXLYJCT-PQHUZPKQSA-N 0 0 436.677 4.525 50 0 IJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H](OC(C)=O)c1ccccc1 ZINC000000952475 568645570 /nfs/dbraw/zinc/64/55/70/568645570.db2.gz IFKXCCLVUXZOLS-SFHVURJKSA-N 0 0 429.519 4.896 50 0 IJAARN CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958422 568646238 /nfs/dbraw/zinc/64/62/38/568646238.db2.gz RHQUUHOWSSSNTQ-ZBFHGGJFSA-N 0 0 441.553 4.538 50 0 IJAARN O=C(NCc1ccccc1F)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025161383 568647031 /nfs/dbraw/zinc/64/70/31/568647031.db2.gz VLAQKRMDUQLFEB-UHFFFAOYSA-N 0 0 429.480 4.613 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)n2ncnc2N1 ZINC000000954663 568647056 /nfs/dbraw/zinc/64/70/56/568647056.db2.gz MTFSJCCFDJKMFZ-KRWDZBQOSA-N 0 0 444.720 4.622 50 0 IJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ccc2c(c1)OCCO2 ZINC000001006924 568650533 /nfs/dbraw/zinc/65/05/33/568650533.db2.gz YFEWUEAZUQJACP-UHFFFAOYSA-N 0 0 435.530 4.860 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)[nH]c4ccccc43)C2=O)cc1 ZINC000001006036 568650990 /nfs/dbraw/zinc/65/09/90/568650990.db2.gz HFMDFJIIYCJLTP-NDENLUEZSA-N 0 0 435.505 4.550 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cnn(C)c1C)C[C@@H](c1ccccc1)CC2 ZINC000001019066 568651297 /nfs/dbraw/zinc/65/12/97/568651297.db2.gz CYQJLJOJGXZAGM-JICACKBISA-N 0 0 435.549 4.501 50 0 IJAARN COc1cc(Cl)c(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc32)cc1Cl ZINC000001072103 568654952 /nfs/dbraw/zinc/65/49/52/568654952.db2.gz RERPSZLGMDKZOM-UHFFFAOYSA-N 0 0 427.353 4.621 50 0 IJAARN CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2cccc3ccccc32)cc1 ZINC000001058828 568655411 /nfs/dbraw/zinc/65/54/11/568655411.db2.gz LTUYHSZRNYUAMC-UHFFFAOYSA-N 0 0 442.496 4.644 50 0 IJAARN COC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OC)c1c2-c1cccc(C(F)(F)F)c1 ZINC000001083583 568657391 /nfs/dbraw/zinc/65/73/91/568657391.db2.gz OQKRLADFABCOQA-UHFFFAOYSA-N 0 0 448.353 4.602 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)n2)cc1OC ZINC000001157510 568663776 /nfs/dbraw/zinc/66/37/76/568663776.db2.gz VKQVUBWILNPGOY-UHFFFAOYSA-N 0 0 447.969 4.916 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000256080226 568663928 /nfs/dbraw/zinc/66/39/28/568663928.db2.gz QOLRLLFJMZLYQJ-BRGACWJKSA-N 0 0 430.629 4.973 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)C(C)C)cc1 ZINC000001175474 568735654 /nfs/dbraw/zinc/73/56/54/568735654.db2.gz RVPZNZGEBWFUKF-QHCPKHFHSA-N 0 0 429.520 4.640 50 0 IJAARN CC(=C\c1ccccc1)/C=C1\SC(=O)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O ZINC000001796754 568740227 /nfs/dbraw/zinc/74/02/27/568740227.db2.gz BPNMBNQRFQQYLV-GEZYKDBCSA-N 0 0 431.517 4.672 50 0 IJAARN COc1ccccc1N(Cc1cc(F)cc2cccnc21)S(=O)(=O)c1ccc(F)cc1 ZINC000031608073 568740776 /nfs/dbraw/zinc/74/07/76/568740776.db2.gz GBBABYWAQJISKF-UHFFFAOYSA-N 0 0 440.471 4.917 50 0 IJAARN CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1cc(OC)c(OC)cc1OC ZINC000031652546 568741377 /nfs/dbraw/zinc/74/13/77/568741377.db2.gz ZONZKBXFLCFJPP-UHFFFAOYSA-N 0 0 442.581 4.987 50 0 IJAARN c1sc(Cc2ccccc2)nc1CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000031654774 568741482 /nfs/dbraw/zinc/74/14/82/568741482.db2.gz UHKAHBACRJHEPC-UHFFFAOYSA-N 0 0 448.617 4.802 50 0 IJAARN C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003279371 568744856 /nfs/dbraw/zinc/74/48/56/568744856.db2.gz GYIILUDERCUSBZ-NSHDSACASA-N 0 0 433.291 4.736 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000003291783 568745330 /nfs/dbraw/zinc/74/53/30/568745330.db2.gz CWRHYEULZIIYNA-KBXCAEBGSA-N 0 0 441.622 4.851 50 0 IJAARN CC(C)Cn1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O ZINC000003307470 568745676 /nfs/dbraw/zinc/74/56/76/568745676.db2.gz DHNLIKOORFTFFA-UHFFFAOYSA-N 0 0 437.384 4.852 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(F)cc2)cc1 ZINC000044087041 568748124 /nfs/dbraw/zinc/74/81/24/568748124.db2.gz GJGAGQJDFOZLAL-UHFFFAOYSA-N 0 0 438.484 4.714 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000003403957 568748526 /nfs/dbraw/zinc/74/85/26/568748526.db2.gz VWSRRLJTFFWTOQ-UHFFFAOYSA-N 0 0 446.532 4.863 50 0 IJAARN O=C1OCC[C@H]1Sc1nc2scc(-c3ccccc3)c2c(=O)n1Cc1ccccc1 ZINC000003447071 568749711 /nfs/dbraw/zinc/74/97/11/568749711.db2.gz ZNTMTXACLPNZRA-GOSISDBHSA-N 0 0 434.542 4.581 50 0 IJAARN Cc1ccc(NC(=O)NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c(C)c1 ZINC000012569712 568750220 /nfs/dbraw/zinc/75/02/20/568750220.db2.gz NNZAGGCBEBPOOK-UHFFFAOYSA-N 0 0 441.582 4.956 50 0 IJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc32)cc1 ZINC000044273005 568750392 /nfs/dbraw/zinc/75/03/92/568750392.db2.gz UCIKJQJHMWBEKR-UHFFFAOYSA-N 0 0 446.598 4.535 50 0 IJAARN Cc1ccc2c(c1)c1c(n2C[C@H](O)CNc2ccc(Br)cc2)C(=O)CCC1 ZINC000003628138 568751889 /nfs/dbraw/zinc/75/18/89/568751889.db2.gz RWYBMCIWXSAAMA-QGZVFWFLSA-N 0 0 427.342 4.704 50 0 IJAARN CCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)NC1=S ZINC000003662839 568753897 /nfs/dbraw/zinc/75/38/97/568753897.db2.gz JEDJWGLBAIESET-WQRHYEAKSA-N 0 0 448.947 4.924 50 0 IJAARN COc1cc2c(cc1OC)C(C1=NC(C)(C)Cc3cc(OC)c(OC)cc31)=NC(C)(C)C2 ZINC000003672384 568754114 /nfs/dbraw/zinc/75/41/14/568754114.db2.gz UXVJSMBCGYMNOM-UHFFFAOYSA-N 0 0 436.552 4.669 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccccc2)cc1OC ZINC000263585196 568758980 /nfs/dbraw/zinc/75/89/80/568758980.db2.gz GFJGGHYAOLFCMY-MRXNPFEDSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc(OC)c1O ZINC000263586672 568759476 /nfs/dbraw/zinc/75/94/76/568759476.db2.gz WUDVBKNKJGZIAS-GOSISDBHSA-N 0 0 428.488 4.887 50 0 biogenic IJAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 ZINC000263586389 568759479 /nfs/dbraw/zinc/75/94/79/568759479.db2.gz UACIKIFTKRMNHT-NRFANRHFSA-N 0 0 432.524 4.734 50 0 biogenic IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000019170196 568759919 /nfs/dbraw/zinc/75/99/19/568759919.db2.gz VMUYCSAXFRTBOS-UHFFFAOYSA-N 0 0 441.361 4.786 50 0 IJAARN Cc1nc2sc3c(c2c2nnc(SCc4ccc5c(c4)OCO5)n21)CC(C)(C)OC3 ZINC000001247305 568774897 /nfs/dbraw/zinc/77/48/97/568774897.db2.gz OUTRDZVNTLHMDN-UHFFFAOYSA-N 0 0 440.550 4.520 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1OCC ZINC000263617606 568777337 /nfs/dbraw/zinc/77/73/37/568777337.db2.gz ORQXKZPNGRMBDB-GOSISDBHSA-N 0 0 425.460 4.650 50 0 IJAARN C[C@@](O)(CSc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388624 568784794 /nfs/dbraw/zinc/78/47/94/568784794.db2.gz TXWPYTALJQAOHG-MRXNPFEDSA-N 0 0 434.277 4.950 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1Cl ZINC000001393947 568785483 /nfs/dbraw/zinc/78/54/83/568785483.db2.gz JDTRBTNTUZOUGK-UHFFFAOYSA-N 0 0 436.316 4.794 50 0 IJAARN CCc1ccc2oc(C(=O)Nc3cccc(CS(=O)(=O)NCC(C)C)c3)c(C)c2c1 ZINC000223231367 568786234 /nfs/dbraw/zinc/78/62/34/568786234.db2.gz NXRULBPUXZWKFE-UHFFFAOYSA-N 0 0 428.554 4.631 50 0 IJAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2ccccc21 ZINC000001121261 568788202 /nfs/dbraw/zinc/78/82/02/568788202.db2.gz BKXHVEDGFWZUIK-UHFFFAOYSA-N 0 0 435.435 4.680 50 0 IJAARN O=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1 ZINC000001431703 568794853 /nfs/dbraw/zinc/79/48/53/568794853.db2.gz BUWFHWWMDLYXET-UHFFFAOYSA-N 0 0 435.349 4.711 50 0 IJAARN O=C(Oc1cccnc1Br)C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000084364382 568797441 /nfs/dbraw/zinc/79/74/41/568797441.db2.gz QUDBLJXVXOTYDF-UHFFFAOYSA-N 0 0 430.220 4.517 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc2c(c1)CCC2 ZINC000084372714 568797602 /nfs/dbraw/zinc/79/76/02/568797602.db2.gz GIXVZFWIMWBQAD-NRFANRHFSA-N 0 0 447.510 4.734 50 0 IJAARN COc1cc2c(cc1NC(=O)CCC(=O)c1ccc3c(c1)OCCO3)oc1ccccc12 ZINC000015575934 568798647 /nfs/dbraw/zinc/79/86/47/568798647.db2.gz LEUFCWPGMVGLKC-UHFFFAOYSA-N 0 0 431.444 4.967 50 0 IJAARN CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000084633103 568799353 /nfs/dbraw/zinc/79/93/53/568799353.db2.gz HGBFHGOEXVKMCQ-VWLOTQADSA-N 0 0 448.611 4.996 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCS[C@@H](c4ccccc4F)CC3)[nH]n2)c1 ZINC000219077458 568801263 /nfs/dbraw/zinc/80/12/63/568801263.db2.gz NQZDRMSRXDYCAG-JOCHJYFZSA-N 0 0 441.528 4.553 50 0 IJAARN COc1cc(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)cc(OC)c1 ZINC000015670840 568802387 /nfs/dbraw/zinc/80/23/87/568802387.db2.gz CYMJGWMNIUTJHJ-UHFFFAOYSA-N 0 0 438.509 4.583 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015676233 568804147 /nfs/dbraw/zinc/80/41/47/568804147.db2.gz GNLYUUQYDKSXOF-AREMUKBSSA-N 0 0 436.600 4.665 50 0 IJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678230 568804730 /nfs/dbraw/zinc/80/47/30/568804730.db2.gz JJUHZBKJNBXRFY-VWLOTQADSA-N 0 0 425.573 4.992 50 0 IJAARN CCc1ccccc1NC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000015721252 568811821 /nfs/dbraw/zinc/81/18/21/568811821.db2.gz WTQVCHIDVCBXEE-QHCPKHFHSA-N 0 0 444.531 4.992 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1cccs1 ZINC000015727910 568813154 /nfs/dbraw/zinc/81/31/54/568813154.db2.gz XOGDBSNTOZGACI-UHFFFAOYSA-N 0 0 431.517 4.709 50 0 IJAARN COc1cc(Br)c(NC(=O)COc2ccc(Cl)cc2)c(Br)c1 ZINC000001444138 568813370 /nfs/dbraw/zinc/81/33/70/568813370.db2.gz FHVXHOFVFJRMQG-UHFFFAOYSA-N 0 0 449.526 4.891 50 0 IJAARN Cc1nn(CC(=O)NCc2ccc(F)cc2)c(C)c1Cc1nc(-c2ccccc2C)oc1C ZINC000015775123 568823224 /nfs/dbraw/zinc/82/32/24/568823224.db2.gz YGZHPHULXHEUFX-UHFFFAOYSA-N 0 0 446.526 4.818 50 0 IJAARN Cc1cc(C)cc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000015781010 568826021 /nfs/dbraw/zinc/82/60/21/568826021.db2.gz CCFOZFBWBMJSBQ-OAQYLSRUSA-N 0 0 431.554 4.757 50 0 IJAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O ZINC000015783425 568826735 /nfs/dbraw/zinc/82/67/35/568826735.db2.gz WMWPXKWQSFJBPO-SFHVURJKSA-N 0 0 440.956 4.717 50 0 IJAARN CCC[C@@H](NC(=O)CN1c2ccccc2-n2cccc2SCC1=O)c1cccs1 ZINC000015784821 568829678 /nfs/dbraw/zinc/82/96/78/568829678.db2.gz TYQMXPPZKNECCO-MRXNPFEDSA-N 0 0 425.579 4.635 50 0 IJAARN COC(=O)c1ccc2c(c1)N(Cc1ncc(C)c(OC)c1C)C(=O)c1ccccc1S2 ZINC000015784934 568829779 /nfs/dbraw/zinc/82/97/79/568829779.db2.gz BRRAPNCRRKSYNV-UHFFFAOYSA-N 0 0 434.517 4.805 50 0 IJAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c1 ZINC000085649113 568830793 /nfs/dbraw/zinc/83/07/93/568830793.db2.gz FLWIKHBQUVZQON-IBGZPJMESA-N 0 0 430.552 4.554 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4F)ccc3[nH]2)cc1 ZINC000085653743 568832240 /nfs/dbraw/zinc/83/22/40/568832240.db2.gz WYSGBCDBKMYPHQ-UHFFFAOYSA-N 0 0 444.510 4.766 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)COc2ccccc2)c1C ZINC000085711170 568835027 /nfs/dbraw/zinc/83/50/27/568835027.db2.gz BOQBXTXRYMJKRE-UHFFFAOYSA-N 0 0 434.536 4.724 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)CCc2ccc(OC)cc2)c1C ZINC000085711453 568835222 /nfs/dbraw/zinc/83/52/22/568835222.db2.gz SXLBZAFRRBLMEA-UHFFFAOYSA-N 0 0 448.563 4.978 50 0 IJAARN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000000702582 568836500 /nfs/dbraw/zinc/83/65/00/568836500.db2.gz JJMGAJPKXFFQNU-UHFFFAOYSA-N 0 0 425.941 4.858 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(SC)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000015787043 568836514 /nfs/dbraw/zinc/83/65/14/568836514.db2.gz BGWMKLORJZRBCW-FQEVSTJZSA-N 0 0 447.564 4.511 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1cccnc1)OC1(CCCCC1)CC3 ZINC000085876657 568838485 /nfs/dbraw/zinc/83/84/85/568838485.db2.gz JOMGKYDSHVZWMU-UHFFFAOYSA-N 0 0 446.547 4.773 50 0 biogenic IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1ccc(C)cc1C ZINC000015823805 568840155 /nfs/dbraw/zinc/84/01/55/568840155.db2.gz MGXPRIVFKTVMRQ-UHFFFAOYSA-N 0 0 429.567 4.782 50 0 IJAARN CCOc1ccccc1NC(=O)COc1cc(CSc2ccc(F)cc2)ncc1OC ZINC000015824727 568840620 /nfs/dbraw/zinc/84/06/20/568840620.db2.gz PTUVBEUUFOESMG-UHFFFAOYSA-N 0 0 442.512 4.938 50 0 IJAARN O=C(CSC(=S)N1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000033814638 568842387 /nfs/dbraw/zinc/84/23/87/568842387.db2.gz SJKAFIMFJROESH-QGZVFWFLSA-N 0 0 433.599 4.679 50 0 IJAARN c1ccc([Si](c2ccccc2)(c2ccccc2)[C@@H]2c3ccccc3O[C@H]3C=CC=C[C@H]32)cc1 ZINC000230096042 568843841 /nfs/dbraw/zinc/84/38/41/568843841.db2.gz VPQHURQDZVTRFE-QKMMQOFESA-N 0 0 442.634 4.983 50 0 IJAARN COc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000216608465 568846802 /nfs/dbraw/zinc/84/68/02/568846802.db2.gz OTDLVWQZHRTJEL-UHFFFAOYSA-N 0 0 440.529 4.761 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccccc4)cc3C)s2)cc1 ZINC000015862059 568848421 /nfs/dbraw/zinc/84/84/21/568848421.db2.gz ULFGTHMLMUAWGM-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1C ZINC000015863264 568849104 /nfs/dbraw/zinc/84/91/04/568849104.db2.gz HOPWLKYYQSDTPV-UHFFFAOYSA-N 0 0 445.567 4.654 50 0 IJAARN CCn1c(COc2cccc(C)c2)nnc1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015865329 568850105 /nfs/dbraw/zinc/85/01/05/568850105.db2.gz WZLKJLHYZMEDTQ-UHFFFAOYSA-N 0 0 434.565 4.936 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 ZINC000015865500 568850663 /nfs/dbraw/zinc/85/06/63/568850663.db2.gz BPBDBHRFJCFQSS-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000015870276 568851666 /nfs/dbraw/zinc/85/16/66/568851666.db2.gz CTWZECKLTFHWAP-UHFFFAOYSA-N 0 0 429.567 4.924 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000015880732 568854273 /nfs/dbraw/zinc/85/42/73/568854273.db2.gz USTOHOUPCPJTNJ-UHFFFAOYSA-N 0 0 443.916 4.580 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880688 568854288 /nfs/dbraw/zinc/85/42/88/568854288.db2.gz KFJWFLDGMFNYMW-CYBMUJFWSA-N 0 0 426.929 4.961 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880689 568854304 /nfs/dbraw/zinc/85/43/04/568854304.db2.gz KFJWFLDGMFNYMW-ZDUSSCGKSA-N 0 0 426.929 4.961 50 0 IJAARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc21 ZINC000015882435 568856574 /nfs/dbraw/zinc/85/65/74/568856574.db2.gz FOZGTVCFYDDQFQ-UHFFFAOYSA-N 0 0 428.970 4.830 50 0 IJAARN O=C(NCc1ccccc1Cl)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000015968581 568861303 /nfs/dbraw/zinc/86/13/03/568861303.db2.gz IAOLOVVKVVETAQ-ISKFKSNPSA-N 0 0 441.918 4.608 50 0 IJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575414564 568862306 /nfs/dbraw/zinc/86/23/06/568862306.db2.gz BGABKZKAECWMMH-OAQYLSRUSA-N 0 0 445.537 4.682 50 0 IJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC000016042547 568868177 /nfs/dbraw/zinc/86/81/77/568868177.db2.gz WIDZCZADYHHCEZ-OAQYLSRUSA-N 0 0 431.529 4.899 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)COc1c(C)cc(Cl)cc1C ZINC000016044054 568868723 /nfs/dbraw/zinc/86/87/23/568868723.db2.gz UUEYENZUKAOMTJ-UHFFFAOYSA-N 0 0 426.738 4.765 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000016047943 568869261 /nfs/dbraw/zinc/86/92/61/568869261.db2.gz SXNNLHIKYQKUED-UHFFFAOYSA-N 0 0 429.350 4.714 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000016048029 568869381 /nfs/dbraw/zinc/86/93/81/568869381.db2.gz VOXJPGURPDVLCO-UHFFFAOYSA-N 0 0 426.494 4.515 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C(C)C)n2)cc1OC ZINC000006190537 568874908 /nfs/dbraw/zinc/87/49/08/568874908.db2.gz ZLEPPOIXJQSGGA-UHFFFAOYSA-N 0 0 430.892 4.850 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(C)cc3)cc2)cc1NC(C)=O ZINC000026236097 568875904 /nfs/dbraw/zinc/87/59/04/568875904.db2.gz GPHYKUCYNMWAGW-UHFFFAOYSA-N 0 0 427.478 4.522 50 0 IJAARN O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000026416879 568877474 /nfs/dbraw/zinc/87/74/74/568877474.db2.gz VKCKOLUTBBOKAC-UHFFFAOYSA-N 0 0 433.552 4.848 50 0 IJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000090594469 568889213 /nfs/dbraw/zinc/88/92/13/568889213.db2.gz GXALCKONCNJNAX-MRXNPFEDSA-N 0 0 445.306 4.696 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N(Cc3ccoc3)Cc3cccs3)n(C)n2)c1 ZINC000090612181 568892707 /nfs/dbraw/zinc/89/27/07/568892707.db2.gz AWJTVBLDZHTUCF-UHFFFAOYSA-N 0 0 437.521 4.601 50 0 IJAARN CCOc1ccc(-c2nc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)cs2)cc1 ZINC000012983875 568895533 /nfs/dbraw/zinc/89/55/33/568895533.db2.gz PBMCCEMDIKSKSW-QFIPXVFZSA-N 0 0 439.562 4.554 50 0 IJAARN Cc1nc2c(cc(OC[C@@H](O)COCc3ccc4c(c3)OCO4)c3ccsc32)s1 ZINC000012985849 568895751 /nfs/dbraw/zinc/89/57/51/568895751.db2.gz QMGMRXDVUJBCIP-AWEZNQCLSA-N 0 0 429.519 4.505 50 0 IJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000012993499 568896933 /nfs/dbraw/zinc/89/69/33/568896933.db2.gz FOYBDTMTIJKJOJ-UHFFFAOYSA-N 0 0 436.625 4.815 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012997306 568896938 /nfs/dbraw/zinc/89/69/38/568896938.db2.gz QXFUFDJJMGYMHG-LZGZYFLISA-N 0 0 445.401 4.903 50 0 IJAARN COc1cc(CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C2CC2)ccc1OC(F)F ZINC000012997978 568896941 /nfs/dbraw/zinc/89/69/41/568896941.db2.gz LWXMKNNVPOXCML-UHFFFAOYSA-N 0 0 442.462 4.994 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012997304 568897070 /nfs/dbraw/zinc/89/70/70/568897070.db2.gz QXFUFDJJMGYMHG-SXYIGIQMSA-N 0 0 445.401 4.903 50 0 IJAARN CN(Cc1ccccc1)C(=O)CSc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000013004193 568898947 /nfs/dbraw/zinc/89/89/47/568898947.db2.gz OTAJHRIFXODJFY-UHFFFAOYSA-N 0 0 439.537 4.541 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000013008477 568899585 /nfs/dbraw/zinc/89/95/85/568899585.db2.gz QWPJAHYWAOKPJY-SIGOSDGXSA-N 0 0 430.539 4.538 50 0 IJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000013010292 568899836 /nfs/dbraw/zinc/89/98/36/568899836.db2.gz AOMLQBHASJPXFL-UHFFFAOYSA-N 0 0 435.284 4.691 50 0 IJAARN CCOCCCn1c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 ZINC000013010525 568899906 /nfs/dbraw/zinc/89/99/06/568899906.db2.gz SBXIVNWDGNJTNU-SFHVURJKSA-N 0 0 439.585 4.503 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000013013438 568901607 /nfs/dbraw/zinc/90/16/07/568901607.db2.gz SZRKVUVYKKGOCW-QGZVFWFLSA-N 0 0 439.606 4.616 50 0 IJAARN O=C(c1ccc(I)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000013023571 568902453 /nfs/dbraw/zinc/90/24/53/568902453.db2.gz FEVIFWILGAPGIA-OAHLLOKOSA-N 0 0 434.302 4.878 50 0 IJAARN CCN(CC)C(=O)[C@H](C)Sc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC ZINC000026639963 568905336 /nfs/dbraw/zinc/90/53/36/568905336.db2.gz IBEVUAHKZMLAEY-AWEZNQCLSA-N 0 0 447.601 4.941 50 0 IJAARN CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000091301196 568906274 /nfs/dbraw/zinc/90/62/74/568906274.db2.gz DJVKHGGGJZLGII-CWTOASCOSA-N 0 0 434.532 4.745 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOC(=O)Nc1ccc(Cl)cc1 ZINC000026803424 568917241 /nfs/dbraw/zinc/91/72/41/568917241.db2.gz OSOZEWUGEWECLV-NSHDSACASA-N 0 0 431.703 4.779 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOC(=O)Nc1ccc(Cl)cc1 ZINC000026803417 568917274 /nfs/dbraw/zinc/91/72/74/568917274.db2.gz OSOZEWUGEWECLV-LLVKDONJSA-N 0 0 431.703 4.779 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccccc1OC(F)(F)F ZINC000026831980 568917596 /nfs/dbraw/zinc/91/75/96/568917596.db2.gz PCPSOBCEWKDPKD-UHFFFAOYSA-N 0 0 428.823 4.550 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4C)c3)C2)cc1 ZINC000033034780 568919509 /nfs/dbraw/zinc/91/95/09/568919509.db2.gz PFUHAJUTHDOMGO-RUZDIDTESA-N 0 0 442.559 4.953 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000035793342 568923142 /nfs/dbraw/zinc/92/31/42/568923142.db2.gz WXNLNWPUIFDFHV-UHFFFAOYSA-N 0 0 442.519 4.829 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000001953748 568923862 /nfs/dbraw/zinc/92/38/62/568923862.db2.gz YTQFPYRDBUAKAT-UHFFFAOYSA-N 0 0 441.890 4.642 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452554 568929372 /nfs/dbraw/zinc/92/93/72/568929372.db2.gz VOTKTPRVMCFKJB-JOCHJYFZSA-N 0 0 430.552 4.673 50 0 IJAARN O=S(=O)(Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000002023173 568930730 /nfs/dbraw/zinc/93/07/30/568930730.db2.gz OUPIOIDBIXGYDB-UHFFFAOYSA-N 0 0 443.329 4.594 50 0 IJAARN O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064557975 568931900 /nfs/dbraw/zinc/93/19/00/568931900.db2.gz ORPQGDXNCPLLGQ-FQEVSTJZSA-N 0 0 439.920 4.667 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1 ZINC000064565860 568932663 /nfs/dbraw/zinc/93/26/63/568932663.db2.gz IKMGBUMAXWKLFH-UHFFFAOYSA-N 0 0 438.959 4.997 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)c1 ZINC000064568572 568933890 /nfs/dbraw/zinc/93/38/90/568933890.db2.gz ILKBLZSFZGKIOY-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1cccc(NCc2nnc(SCC(=O)c3ccc[nH]3)n2C2CCCCC2)c1 ZINC000006589766 568934024 /nfs/dbraw/zinc/93/40/24/568934024.db2.gz VVPDIVOSLVEIQA-UHFFFAOYSA-N 0 0 425.558 4.707 50 0 IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035978856 568936387 /nfs/dbraw/zinc/93/63/87/568936387.db2.gz FGRIAVDOJFXRGD-NRFANRHFSA-N 0 0 434.540 4.590 50 0 IJAARN O=c1c2ccc(OCCN3CCN(c4ccc(F)cc4)CC3)cc2occ1-c1ccccc1 ZINC000054307016 568937437 /nfs/dbraw/zinc/93/74/37/568937437.db2.gz LXYWABZZIVZBDO-UHFFFAOYSA-N 0 0 444.506 4.800 50 0 IJAARN COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000016689800 568938315 /nfs/dbraw/zinc/93/83/15/568938315.db2.gz XWRVZWIVFZCVJE-ZRGWGRIASA-N 0 0 438.553 4.832 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)c1 ZINC000064606085 568939892 /nfs/dbraw/zinc/93/98/92/568939892.db2.gz OUUMMUHAMUOULX-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(C)c(C)cc2C)CC3)cc1 ZINC000064660250 568942545 /nfs/dbraw/zinc/94/25/45/568942545.db2.gz UURSBVIJZRGQFL-UHFFFAOYSA-N 0 0 442.606 4.881 50 0 IJAARN CCCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000064667973 568942979 /nfs/dbraw/zinc/94/29/79/568942979.db2.gz PMSULBBGLHSZSZ-QGZVFWFLSA-N 0 0 427.614 4.832 50 0 IJAARN CCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000064668048 568943159 /nfs/dbraw/zinc/94/31/59/568943159.db2.gz WQNFQXWTZCPTBY-HNNXBMFYSA-N 0 0 431.577 4.662 50 0 IJAARN Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1F ZINC000064664455 568943712 /nfs/dbraw/zinc/94/37/12/568943712.db2.gz FRKKFYUCYSOPIG-UHFFFAOYSA-N 0 0 430.306 4.850 50 0 IJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)N1CCN(c2ccc(F)cc2)CC1 ZINC000064675567 568943874 /nfs/dbraw/zinc/94/38/74/568943874.db2.gz DDYOCZOEVRZDTB-UHFFFAOYSA-N 0 0 446.501 4.561 50 0 IJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cc(C)ccc2C)CC1 ZINC000064690451 568944163 /nfs/dbraw/zinc/94/41/63/568944163.db2.gz JTVUWFJZYDDFGU-UHFFFAOYSA-N 0 0 432.568 4.757 50 0 IJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(OC)c(OC)c(OC)c1 ZINC000064690446 568944209 /nfs/dbraw/zinc/94/42/09/568944209.db2.gz KQAZKHSAMVMXSN-UHFFFAOYSA-N 0 0 425.485 4.583 50 0 IJAARN CN(CC(=O)N1CCCCCC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704345 568944628 /nfs/dbraw/zinc/94/46/28/568944628.db2.gz QPAPENUGPNMWGO-UHFFFAOYSA-N 0 0 440.617 4.507 50 0 IJAARN Cc1ccc(C)c(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC3CC3)co2)c1 ZINC000036065670 568945355 /nfs/dbraw/zinc/94/53/55/568945355.db2.gz FMALIUIXGRTKGI-UHFFFAOYSA-N 0 0 442.563 4.910 50 0 IJAARN O=C(NCc1cccnc1)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072289 568946099 /nfs/dbraw/zinc/94/60/99/568946099.db2.gz SLWMCSKRDUORIX-UHFFFAOYSA-N 0 0 446.938 4.855 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083663 568947361 /nfs/dbraw/zinc/94/73/61/568947361.db2.gz GYKQIIZNJYVYLO-FQEVSTJZSA-N 0 0 449.334 4.976 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083687 568947463 /nfs/dbraw/zinc/94/74/63/568947463.db2.gz OYYOXNNFJCZFSB-OAQYLSRUSA-N 0 0 428.916 4.549 50 0 IJAARN CCc1ccc(-c2nc3sc(N4CCN(CC)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746060 568949312 /nfs/dbraw/zinc/94/93/12/568949312.db2.gz YAPIAZAOAGLNNM-UHFFFAOYSA-N 0 0 438.645 4.907 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1ccc(F)cc1F ZINC000064746922 568950216 /nfs/dbraw/zinc/95/02/16/568950216.db2.gz KCHSZCBRMPPHCT-UHFFFAOYSA-N 0 0 448.454 4.590 50 0 IJAARN Cc1nc2cc(C(=O)NCc3cccc(Cl)c3)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748062 568950661 /nfs/dbraw/zinc/95/06/61/568950661.db2.gz WWIGFHAZHYMBRB-UHFFFAOYSA-N 0 0 446.938 4.957 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000064775530 568954729 /nfs/dbraw/zinc/95/47/29/568954729.db2.gz JQKGKDPGPFBCLA-CQSZACIVSA-N 0 0 426.394 4.559 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)C(C)C ZINC000036118783 568956118 /nfs/dbraw/zinc/95/61/18/568956118.db2.gz PBBYAXJPZOCETL-NRFANRHFSA-N 0 0 442.625 4.764 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119449 568956127 /nfs/dbraw/zinc/95/61/27/568956127.db2.gz NUHFWQDWYKJCDB-RXVVDRJESA-N 0 0 428.598 4.536 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036119702 568956840 /nfs/dbraw/zinc/95/68/40/568956840.db2.gz BHPLQMKPLXJDAU-NRFANRHFSA-N 0 0 428.598 4.538 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121421 568957909 /nfs/dbraw/zinc/95/79/09/568957909.db2.gz NUOWJRUUGXANCY-UTKZUKDTSA-N 0 0 446.588 4.675 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C1CCCC1 ZINC000036121989 568958004 /nfs/dbraw/zinc/95/80/04/568958004.db2.gz JGQSRCFUDHQUHL-OAQYLSRUSA-N 0 0 440.609 4.600 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)[C@H](C)CC ZINC000036121936 568958005 /nfs/dbraw/zinc/95/80/05/568958005.db2.gz ACSBEALBSVZFMZ-UYAOXDASSA-N 0 0 428.598 4.598 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036121765 568958037 /nfs/dbraw/zinc/95/80/37/568958037.db2.gz WCASHHHAOYNQDW-OAQYLSRUSA-N 0 0 446.588 4.677 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2C)cc1 ZINC000064793793 568959754 /nfs/dbraw/zinc/95/97/54/568959754.db2.gz HZYLLIZXGRVCCI-UHFFFAOYSA-N 0 0 438.582 4.528 50 0 IJAARN Cc1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2C[C@H]2CCCO2)c1 ZINC000064794612 568960073 /nfs/dbraw/zinc/96/00/73/568960073.db2.gz PWEJIGMQCOQCHS-MRXNPFEDSA-N 0 0 437.594 4.917 50 0 IJAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000064801731 568961559 /nfs/dbraw/zinc/96/15/59/568961559.db2.gz OOBCYWSLJOAGOT-UHFFFAOYSA-N 0 0 433.537 4.914 50 0 IJAARN CC(C)NC(=O)N(Cc1ccco1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006722514 568963198 /nfs/dbraw/zinc/96/31/98/568963198.db2.gz GVHHWCXKEJFROA-UHFFFAOYSA-N 0 0 428.577 4.841 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815743 568963432 /nfs/dbraw/zinc/96/34/32/568963432.db2.gz VTKHZKUTWBLHDA-RUZDIDTESA-N 0 0 448.592 4.706 50 0 IJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064815715 568963470 /nfs/dbraw/zinc/96/34/70/568963470.db2.gz FCVHQGIDXFFCBE-RUZDIDTESA-N 0 0 448.592 4.652 50 0 IJAARN CC(C)(C)NC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1ccc(Cl)cc1 ZINC000064815860 568963662 /nfs/dbraw/zinc/96/36/62/568963662.db2.gz FRRJQWBPFWVMSN-QFIPXVFZSA-N 0 0 442.972 4.599 50 0 IJAARN Cc1cccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1C ZINC000064819142 568965973 /nfs/dbraw/zinc/96/59/73/568965973.db2.gz ZNTZEZXFMMQZJU-UHFFFAOYSA-N 0 0 429.446 4.620 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000064819145 568966071 /nfs/dbraw/zinc/96/60/71/568966071.db2.gz BMZFSRZIINDUTI-UHFFFAOYSA-N 0 0 429.446 4.620 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036164410 568968087 /nfs/dbraw/zinc/96/80/87/568968087.db2.gz IHCWMQNTIWBUQZ-SANMLTNESA-N 0 0 428.557 4.892 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1F ZINC000036164698 568968191 /nfs/dbraw/zinc/96/81/91/568968191.db2.gz SEFBCPZUDPELPV-QHCPKHFHSA-N 0 0 438.549 4.784 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1Cl ZINC000036165021 568968246 /nfs/dbraw/zinc/96/82/46/568968246.db2.gz XFODBNYHEJHDLR-HSZRJFAPSA-N 0 0 438.936 4.830 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC ZINC000064847836 568971110 /nfs/dbraw/zinc/97/11/10/568971110.db2.gz ZQSRGMYGIOBABX-OAHLLOKOSA-N 0 0 445.947 4.876 50 0 IJAARN CCC[C@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206594 568973055 /nfs/dbraw/zinc/97/30/55/568973055.db2.gz NPYDZYQSRNQMPA-KRWDZBQOSA-N 0 0 443.613 4.669 50 0 IJAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 ZINC000064862048 568973838 /nfs/dbraw/zinc/97/38/38/568973838.db2.gz AELGIIVRMGRFNH-UHFFFAOYSA-N 0 0 433.961 4.546 50 0 IJAARN CCc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000064867110 568975012 /nfs/dbraw/zinc/97/50/12/568975012.db2.gz QPRDKMIPOJWVQV-UHFFFAOYSA-N 0 0 426.538 4.632 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2cccc(SC)c2)=Nc2ccccc2N1 ZINC000064869504 568976172 /nfs/dbraw/zinc/97/61/72/568976172.db2.gz LWBJJBAGNNPPAK-UHFFFAOYSA-N 0 0 427.551 4.683 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(Cl)ccc2C)=Nc2ccccc2N1 ZINC000064869513 568976207 /nfs/dbraw/zinc/97/62/07/568976207.db2.gz ACJGASTTZJAWSD-UHFFFAOYSA-N 0 0 429.929 4.923 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4F)cc3)n2)c1 ZINC000064873214 568978293 /nfs/dbraw/zinc/97/82/93/568978293.db2.gz JAEFUWQUVOWIKO-UHFFFAOYSA-N 0 0 429.451 4.511 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000064888015 568979107 /nfs/dbraw/zinc/97/91/07/568979107.db2.gz XWCZFIGUTBNANC-UHFFFAOYSA-N 0 0 433.577 4.943 50 0 IJAARN COc1cc(OC)cc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1 ZINC000064890501 568981316 /nfs/dbraw/zinc/98/13/16/568981316.db2.gz DWYOMZYXQIITFZ-UHFFFAOYSA-N 0 0 432.480 4.554 50 0 IJAARN CCCn1c2ccc(-c3noc(-c4ccc(OCC)c(OCC)c4)n3)cc2nc(C)c1=O ZINC000064890447 568981340 /nfs/dbraw/zinc/98/13/40/568981340.db2.gz ABYCHJJJJUDPRU-UHFFFAOYSA-N 0 0 434.496 4.629 50 0 IJAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccccc2F)cc1OC ZINC000036247253 568982110 /nfs/dbraw/zinc/98/21/10/568982110.db2.gz HWZZAPYKWVLUOR-UHFFFAOYSA-N 0 0 437.439 4.517 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000036247745 568982410 /nfs/dbraw/zinc/98/24/10/568982410.db2.gz CYPBXQZOCSPBDU-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@H](C)c2ccccc2C)cc1 ZINC000036247694 568982449 /nfs/dbraw/zinc/98/24/49/568982449.db2.gz CKZJNTWFFROXBD-GOSISDBHSA-N 0 0 441.549 4.977 50 0 IJAARN COc1cc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc(OC)c1 ZINC000036248313 568982568 /nfs/dbraw/zinc/98/25/68/568982568.db2.gz RKOUAFMSSXIEJH-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036249366 568983203 /nfs/dbraw/zinc/98/32/03/568983203.db2.gz ICUAZQQFDXCBHI-SFHVURJKSA-N 0 0 437.515 4.758 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681200 568991484 /nfs/dbraw/zinc/99/14/84/568991484.db2.gz JQQJWKZRJOMOID-UHFFFAOYSA-N 0 0 446.869 4.742 50 0 IJAARN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036302963 568993503 /nfs/dbraw/zinc/99/35/03/568993503.db2.gz FEASKKKMLHQQQW-QFIPXVFZSA-N 0 0 435.568 4.589 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1 ZINC000064948668 568994583 /nfs/dbraw/zinc/99/45/83/568994583.db2.gz DMQGHCOAVKBDOS-UHFFFAOYSA-N 0 0 442.342 4.801 50 0 IJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COCC(C)C)C1CC1 ZINC000036308453 568996311 /nfs/dbraw/zinc/99/63/11/568996311.db2.gz FIYYNRJDMNSSCL-DEOSSOPVSA-N 0 0 449.595 4.971 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1OC ZINC000036312400 568997619 /nfs/dbraw/zinc/99/76/19/568997619.db2.gz REYCZQXMTSKHLT-UHFFFAOYSA-N 0 0 449.551 4.629 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036313240 568998557 /nfs/dbraw/zinc/99/85/57/568998557.db2.gz KLPDMPWAASOYHV-KRWDZBQOSA-N 0 0 429.536 4.635 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1OCC ZINC000064955880 568998777 /nfs/dbraw/zinc/99/87/77/568998777.db2.gz GZEOCDMGNBMOQC-UHFFFAOYSA-N 0 0 447.510 4.951 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccs1 ZINC000036314235 568998923 /nfs/dbraw/zinc/99/89/23/568998923.db2.gz LFJDEBFCZIWDMB-SFHVURJKSA-N 0 0 439.581 4.989 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2cc(F)ccc2F)c1C ZINC000064967612 569001413 /nfs/dbraw/zinc/00/14/13/569001413.db2.gz RSSCWUPGAOYMRC-UHFFFAOYSA-N 0 0 443.841 4.782 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1nsc2ccccc21 ZINC000064972702 569077045 /nfs/dbraw/zinc/07/70/45/569077045.db2.gz VVAGYVKLRQSZNL-UHFFFAOYSA-N 0 0 442.544 4.511 50 0 IJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1cccc(Br)c1 ZINC000064978178 569077760 /nfs/dbraw/zinc/07/77/60/569077760.db2.gz CAZVMDCVQHUXHM-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036341693 569078903 /nfs/dbraw/zinc/07/89/03/569078903.db2.gz LIVJAOYXZVYAQJ-VWLOTQADSA-N 0 0 449.595 4.730 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000036340935 569079215 /nfs/dbraw/zinc/07/92/15/569079215.db2.gz JYMMBMNLYANFMC-AREMUKBSSA-N 0 0 427.548 4.813 50 0 IJAARN CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346143 569081125 /nfs/dbraw/zinc/08/11/25/569081125.db2.gz FNWMSIQXKACRAK-QHCPKHFHSA-N 0 0 437.584 4.891 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4ccccc4Cl)CC3)C2=O)cc1 ZINC000064988821 569082919 /nfs/dbraw/zinc/08/29/19/569082919.db2.gz YKRUYZWUFIHEDW-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCO[C@@H](c2ccccc2)C1 ZINC000036352668 569083761 /nfs/dbraw/zinc/08/37/61/569083761.db2.gz UQXTWYXXLKPRHN-OAQYLSRUSA-N 0 0 447.409 4.971 50 0 IJAARN O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCO[C@H](c2ccccc2)C1 ZINC000036352666 569083797 /nfs/dbraw/zinc/08/37/97/569083797.db2.gz UQXTWYXXLKPRHN-NRFANRHFSA-N 0 0 447.409 4.971 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 ZINC000036354815 569084220 /nfs/dbraw/zinc/08/42/20/569084220.db2.gz FSCJPMXGCYBQDE-GOSISDBHSA-N 0 0 446.898 4.722 50 0 IJAARN CCN(C(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1C ZINC000065000676 569086060 /nfs/dbraw/zinc/08/60/60/569086060.db2.gz OYIUETFZJVOWCO-UHFFFAOYSA-N 0 0 428.532 4.968 50 0 IJAARN CCOc1ccc(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000616 569086075 /nfs/dbraw/zinc/08/60/75/569086075.db2.gz LQQSCEUGFDSWEZ-UHFFFAOYSA-N 0 0 430.504 4.644 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999543 569086177 /nfs/dbraw/zinc/08/61/77/569086177.db2.gz IAMWVUNFDPHDHJ-UHFFFAOYSA-N 0 0 430.526 4.591 50 0 IJAARN Cc1cccc(CNC(=O)CC2CCN(C(=O)c3ccc4oc(C5CC5)nc4c3)CC2)c1 ZINC000065005864 569087246 /nfs/dbraw/zinc/08/72/46/569087246.db2.gz RETXQRUQIZBURM-UHFFFAOYSA-N 0 0 431.536 4.572 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCC(C)CC3)c2oc1C(=O)N1CCCCCC1 ZINC000065010939 569087780 /nfs/dbraw/zinc/08/77/80/569087780.db2.gz JLTXGNCGYRITSN-UHFFFAOYSA-N 0 0 446.613 4.795 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023220 569089238 /nfs/dbraw/zinc/08/92/38/569089238.db2.gz AKPPQRHARMVMEJ-IBGZPJMESA-N 0 0 438.934 4.511 50 0 IJAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc2)cc1 ZINC000065023373 569089297 /nfs/dbraw/zinc/08/92/97/569089297.db2.gz BSEAQYXRXGGZCE-OAQYLSRUSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc2)cc1 ZINC000065023372 569089339 /nfs/dbraw/zinc/08/93/39/569089339.db2.gz BSEAQYXRXGGZCE-NRFANRHFSA-N 0 0 434.971 4.681 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)c1 ZINC000065023816 569089436 /nfs/dbraw/zinc/08/94/36/569089436.db2.gz SUAFGTOJUAWJII-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN O=C(NC1CCCCCC1)c1cc(COc2ccc(NC(=O)c3ccccc3)cc2)on1 ZINC000065027024 569090143 /nfs/dbraw/zinc/09/01/43/569090143.db2.gz LVSGPWMCVXXOCP-UHFFFAOYSA-N 0 0 433.508 4.959 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025588 569090776 /nfs/dbraw/zinc/09/07/76/569090776.db2.gz FXVIIVDCLLQOFX-UHFFFAOYSA-N 0 0 430.508 4.547 50 0 IJAARN COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034234 569091820 /nfs/dbraw/zinc/09/18/20/569091820.db2.gz GCVVGQKDCGNCLS-UHFFFAOYSA-N 0 0 436.851 4.952 50 0 IJAARN COC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000065034079 569091907 /nfs/dbraw/zinc/09/19/07/569091907.db2.gz FCQAGGXPUIFRFC-UHFFFAOYSA-N 0 0 434.492 4.591 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)cc1 ZINC000169760258 569094591 /nfs/dbraw/zinc/09/45/91/569094591.db2.gz CJSXXXIWPJDNEU-UHFFFAOYSA-N 0 0 440.547 4.799 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058048 569095448 /nfs/dbraw/zinc/09/54/48/569095448.db2.gz SKVRRWUMSVNRTL-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000065061049 569096314 /nfs/dbraw/zinc/09/63/14/569096314.db2.gz DZWCXGOZOAUBIF-UHFFFAOYSA-N 0 0 431.467 4.888 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC4CCC(C)CC4)c3=O)cc2)cc1 ZINC000065062748 569097301 /nfs/dbraw/zinc/09/73/01/569097301.db2.gz HSVLCHYQLCTHFR-UHFFFAOYSA-N 0 0 443.547 4.707 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC4CCCCCC4)c3=O)cc2)cc1 ZINC000065062694 569097327 /nfs/dbraw/zinc/09/73/27/569097327.db2.gz DFNQFMVAOUEKCP-UHFFFAOYSA-N 0 0 443.547 4.851 50 0 IJAARN CCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc1 ZINC000065063561 569097618 /nfs/dbraw/zinc/09/76/18/569097618.db2.gz OSGMKQKVMYWGSR-UHFFFAOYSA-N 0 0 439.537 4.513 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075027 569099400 /nfs/dbraw/zinc/09/94/00/569099400.db2.gz GSOORKSXOLURBI-HHHXNRCGSA-N 0 0 428.532 4.672 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(SC)cc2)cc1 ZINC000065074994 569099419 /nfs/dbraw/zinc/09/94/19/569099419.db2.gz HRLVDFZYYVZHTP-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1ccc(SC)cc1 ZINC000065075179 569099502 /nfs/dbraw/zinc/09/95/02/569099502.db2.gz QNFGOUBAYGFGLP-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084976 569102719 /nfs/dbraw/zinc/10/27/19/569102719.db2.gz CHTPWCGNDXKFSN-UHFFFAOYSA-N 0 0 440.315 4.735 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000065075262 569099527 /nfs/dbraw/zinc/09/95/27/569099527.db2.gz CKZUENKNMMMKTQ-MHZLTWQESA-N 0 0 428.532 4.590 50 0 IJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)no2)c1 ZINC000065076858 569100011 /nfs/dbraw/zinc/10/00/11/569100011.db2.gz NSTVEZNONWVLIJ-UHFFFAOYSA-N 0 0 431.414 4.784 50 0 IJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)no2)c1 ZINC000065076856 569100020 /nfs/dbraw/zinc/10/00/20/569100020.db2.gz BNMLJCDPBIFHJI-UHFFFAOYSA-N 0 0 447.413 4.664 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1F)CO2)c1ccc(Cl)cc1 ZINC000065082857 569102510 /nfs/dbraw/zinc/10/25/10/569102510.db2.gz JUJAIBYWLICOKM-GOSISDBHSA-N 0 0 438.886 4.599 50 0 IJAARN COc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc(OC)c1 ZINC000065085426 569102903 /nfs/dbraw/zinc/10/29/03/569102903.db2.gz ZMZTZCNYTYVZDT-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN CCN1c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780604 569103156 /nfs/dbraw/zinc/10/31/56/569103156.db2.gz XSHHUKSKQBHVSU-OAQYLSRUSA-N 0 0 445.485 4.818 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097968 569104348 /nfs/dbraw/zinc/10/43/48/569104348.db2.gz YZXTWHMHENKBBB-UHFFFAOYSA-N 0 0 425.963 4.929 50 0 IJAARN O=S(=O)(NCCC1=CCCCC1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098020 569104537 /nfs/dbraw/zinc/10/45/37/569104537.db2.gz DJEKZVWGOVYRED-UHFFFAOYSA-N 0 0 433.530 4.773 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098048 569104595 /nfs/dbraw/zinc/10/45/95/569104595.db2.gz LJHZMPSQWKUSCA-UHFFFAOYSA-N 0 0 429.498 4.819 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099465 569105210 /nfs/dbraw/zinc/10/52/10/569105210.db2.gz HKZVJHQXJBGBRV-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN COCCCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000006904474 569105802 /nfs/dbraw/zinc/10/58/02/569105802.db2.gz IKNKIHRFDJEATF-UHFFFAOYSA-N 0 0 441.380 4.952 50 0 IJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000065102398 569106033 /nfs/dbraw/zinc/10/60/33/569106033.db2.gz NSEHUMABKISZGN-LJQANCHMSA-N 0 0 430.552 4.925 50 0 IJAARN Cc1ccc(-c2noc(-c3nn(CC(=O)N4CCc5ccccc54)c4ccccc43)n2)cc1 ZINC000065111269 569106333 /nfs/dbraw/zinc/10/63/33/569106333.db2.gz OFAJOBPMRLJTLJ-UHFFFAOYSA-N 0 0 435.487 4.651 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4csc(C5CC5)n4)cc3)CC2)cc1 ZINC000065117693 569106517 /nfs/dbraw/zinc/10/65/17/569106517.db2.gz LLXDHPHQUBNHSS-UHFFFAOYSA-N 0 0 431.561 4.853 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 ZINC000065115075 569106520 /nfs/dbraw/zinc/10/65/20/569106520.db2.gz XIOCPVXOVSFACA-UHFFFAOYSA-N 0 0 448.910 4.981 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc1 ZINC000065114709 569106643 /nfs/dbraw/zinc/10/66/43/569106643.db2.gz KDCMICXCLATVOT-UHFFFAOYSA-N 0 0 438.480 4.859 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1C ZINC000065111964 569107885 /nfs/dbraw/zinc/10/78/85/569107885.db2.gz LVFIQQUTRWCGKF-UHFFFAOYSA-N 0 0 445.972 4.884 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000065112117 569107946 /nfs/dbraw/zinc/10/79/46/569107946.db2.gz GZRCRSDGMURTMX-UHFFFAOYSA-N 0 0 443.544 4.643 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)no1 ZINC000065112251 569108087 /nfs/dbraw/zinc/10/80/87/569108087.db2.gz HPPUPUSGGPIGBM-UHFFFAOYSA-N 0 0 439.581 4.812 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 ZINC000065133100 569109955 /nfs/dbraw/zinc/10/99/55/569109955.db2.gz DOGBDPHMBXTLRO-UHFFFAOYSA-N 0 0 426.929 4.676 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccccc2Br)nc(-c2ccc(Cl)cc2)n1 ZINC000065133933 569110023 /nfs/dbraw/zinc/11/00/23/569110023.db2.gz QNWRHFAHTKBFJT-UHFFFAOYSA-N 0 0 432.705 4.885 50 0 IJAARN COc1ccccc1-c1nc([C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)no1 ZINC000065149512 569110982 /nfs/dbraw/zinc/11/09/82/569110982.db2.gz FFAKPMVYOJTWMC-HNNXBMFYSA-N 0 0 431.414 4.784 50 0 IJAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc(Cl)cc3F)c3ccccc23)n1 ZINC000065154368 569112233 /nfs/dbraw/zinc/11/22/33/569112233.db2.gz NQBKHWDLDQMXMK-UHFFFAOYSA-N 0 0 440.862 4.606 50 0 IJAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065165994 569113127 /nfs/dbraw/zinc/11/31/27/569113127.db2.gz JDZGBTCVGXTRKG-UHFFFAOYSA-N 0 0 427.495 4.624 50 0 IJAARN CCCn1c(-c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nc2cccnc21 ZINC000065172802 569113276 /nfs/dbraw/zinc/11/32/76/569113276.db2.gz AIAYZAODRSMONS-UHFFFAOYSA-N 0 0 443.526 4.610 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2 ZINC000065201186 569115330 /nfs/dbraw/zinc/11/53/30/569115330.db2.gz NFVIMUGRWGBCEX-UHFFFAOYSA-N 0 0 428.916 4.669 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2nc3cc(C)nc(-c4ccc(Cl)cc4)n3c2=O)cc1 ZINC000065196519 569115671 /nfs/dbraw/zinc/11/56/71/569115671.db2.gz XRWGJPRVSJPUPS-UHFFFAOYSA-N 0 0 449.942 4.501 50 0 IJAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)[C@@H](C)NC(=O)c3ccccc3)n2)c1 ZINC000065219280 569117174 /nfs/dbraw/zinc/11/71/74/569117174.db2.gz SAOAWKHRUKOXLZ-OAHLLOKOSA-N 0 0 432.505 4.531 50 0 IJAARN COc1cc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000065218797 569117330 /nfs/dbraw/zinc/11/73/30/569117330.db2.gz MKXSOGGDAGOQCS-UHFFFAOYSA-N 0 0 437.477 4.743 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)cc1OC ZINC000065241465 569121013 /nfs/dbraw/zinc/12/10/13/569121013.db2.gz REUBKTDTMKXQEZ-UHFFFAOYSA-N 0 0 447.516 4.625 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)Cn3cc(Cl)cn3)c12 ZINC000036616142 569122735 /nfs/dbraw/zinc/12/27/35/569122735.db2.gz YJSZGFHQCNBLJM-OAHLLOKOSA-N 0 0 448.958 4.522 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3cccc(-c4ccno4)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616708 569122874 /nfs/dbraw/zinc/12/28/74/569122874.db2.gz YZRIHGFEPKGONJ-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c12 ZINC000036612499 569123753 /nfs/dbraw/zinc/12/37/53/569123753.db2.gz ZTXKZWURPAILKM-UHFFFAOYSA-N 0 0 435.557 4.616 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1OC ZINC000036613354 569123838 /nfs/dbraw/zinc/12/38/38/569123838.db2.gz XXSXELUFJQSWHD-AWEZNQCLSA-N 0 0 435.455 4.846 50 0 IJAARN Cc1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)nn1Cc1ccccc1C ZINC000036617838 569123947 /nfs/dbraw/zinc/12/39/47/569123947.db2.gz DSQIRCLSHVRSTR-UHFFFAOYSA-N 0 0 430.508 4.984 50 0 IJAARN CCN1c2ccc(NC(=O)CCc3ccccc3OC)cc2Sc2ncccc2C1=O ZINC000065258503 569124472 /nfs/dbraw/zinc/12/44/72/569124472.db2.gz SWEGIVKFIFFQLB-UHFFFAOYSA-N 0 0 433.533 4.793 50 0 IJAARN CN1c2ccc(NC(=O)c3cccc(Br)c3)cc2Sc2ncccc2C1=O ZINC000065258389 569124474 /nfs/dbraw/zinc/12/44/74/569124474.db2.gz CKGCBIKWVPCAIA-UHFFFAOYSA-N 0 0 440.322 4.838 50 0 IJAARN Cc1c(NC(=O)c2cccc(NC(=O)CCC3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000013127911 569125288 /nfs/dbraw/zinc/12/52/88/569125288.db2.gz DTJJCFVSKUHRCQ-UHFFFAOYSA-N 0 0 446.551 4.646 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)c3ccccc23)ccc1F ZINC000013165387 569125766 /nfs/dbraw/zinc/12/57/66/569125766.db2.gz XZKNMSGZXHHXPW-UHFFFAOYSA-N 0 0 435.904 4.882 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3C)cc2c1C ZINC000036621026 569126050 /nfs/dbraw/zinc/12/60/50/569126050.db2.gz JZDFAQKXDXBPRH-FQEVSTJZSA-N 0 0 427.522 4.752 50 0 IJAARN Cc1cccc(NC(=O)CCn2c3nn(Cc4ccccc4)cc3c(C(F)F)cc2=O)c1 ZINC000036621517 569126197 /nfs/dbraw/zinc/12/61/97/569126197.db2.gz OVOAVKYUHKHCKJ-UHFFFAOYSA-N 0 0 436.462 4.521 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(F)c(F)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524734442 569127709 /nfs/dbraw/zinc/12/77/09/569127709.db2.gz FITJVTSKRZPUPC-JOCHJYFZSA-N 0 0 435.474 4.776 50 0 IJAARN O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)Nc2nc(-c3ccco3)cs2)cs1 ZINC000036657892 569130277 /nfs/dbraw/zinc/13/02/77/569130277.db2.gz LNFYIBXMHKAGGH-CMDGGOBGSA-N 0 0 436.518 4.693 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)sc12 ZINC000065294087 569131173 /nfs/dbraw/zinc/13/11/73/569131173.db2.gz SWOHCJPAPJTGIP-KRWDZBQOSA-N 0 0 433.581 4.721 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NCc3cccc(Cl)c3)sc12 ZINC000065294094 569131189 /nfs/dbraw/zinc/13/11/89/569131189.db2.gz LXRYEWMXGZSTIT-UHFFFAOYSA-N 0 0 439.972 4.505 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCc3cccc(Cl)c3)sc12 ZINC000065293972 569131194 /nfs/dbraw/zinc/13/11/94/569131194.db2.gz VPTIEJQMXUMJBC-UHFFFAOYSA-N 0 0 439.972 4.505 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccc(C)cc1)N2 ZINC000065298493 569132039 /nfs/dbraw/zinc/13/20/39/569132039.db2.gz DPEUMEDDJUUTRB-HXUWFJFHSA-N 0 0 441.959 4.826 50 0 biogenic IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4ccsc4)CC3)sc12 ZINC000065300426 569132259 /nfs/dbraw/zinc/13/22/59/569132259.db2.gz PIUZLAXNEBMSSG-UHFFFAOYSA-N 0 0 437.594 4.513 50 0 IJAARN COC(=O)c1ccc2c(c1)nc(N(Cc1ccco1)C1CCCC1)n(-c1ccccc1)c2=O ZINC000065306564 569133440 /nfs/dbraw/zinc/13/34/40/569133440.db2.gz NABLUMXRWPLURB-UHFFFAOYSA-N 0 0 443.503 4.715 50 0 IJAARN Cc1cc(C)cc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c1 ZINC000065315674 569134197 /nfs/dbraw/zinc/13/41/97/569134197.db2.gz JSISDVQFPVCLBV-UHFFFAOYSA-N 0 0 444.579 4.597 50 0 IJAARN O=C(c1nc2ccccc2s1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000036704705 569134275 /nfs/dbraw/zinc/13/42/75/569134275.db2.gz VEGZMYHPZZRCMR-UHFFFAOYSA-N 0 0 438.553 4.517 50 0 IJAARN CCN1c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2-c2ccccc2S1(=O)=O ZINC000065315077 569135692 /nfs/dbraw/zinc/13/56/92/569135692.db2.gz KVTZKSRPBQNRJO-UHFFFAOYSA-N 0 0 436.533 4.922 50 0 IJAARN CCN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O ZINC000065315069 569135749 /nfs/dbraw/zinc/13/57/49/569135749.db2.gz KQMROEHMEIGURU-UHFFFAOYSA-N 0 0 430.888 4.927 50 0 IJAARN Cc1ccc(CSc2nc(CC(=O)NCc3nc(-c4ccccc4)no3)cs2)cc1 ZINC000036709186 569136226 /nfs/dbraw/zinc/13/62/26/569136226.db2.gz LWSJBBNLMOUEIX-UHFFFAOYSA-N 0 0 436.562 4.653 50 0 IJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc([C@H]3CC(=O)N(C4CCCC4)C3)n2)c1 ZINC000065330162 569137067 /nfs/dbraw/zinc/13/70/67/569137067.db2.gz YMQSJMJGTFLXHO-KRWDZBQOSA-N 0 0 431.496 4.639 50 0 IJAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(F)c(Cl)c4)no3)n2)c1 ZINC000065330978 569137119 /nfs/dbraw/zinc/13/71/19/569137119.db2.gz MNKDTFHLQWONER-UHFFFAOYSA-N 0 0 444.875 4.993 50 0 IJAARN COc1ccc(Nc2c(-c3ccccc3)nc3cnc(Br)cn32)cc1OC ZINC000065331636 569137306 /nfs/dbraw/zinc/13/73/06/569137306.db2.gz NMAKHTAXSCILQX-UHFFFAOYSA-N 0 0 425.286 4.920 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@@H](C)O1 ZINC000065515525 569138985 /nfs/dbraw/zinc/13/89/85/569138985.db2.gz AMWRHPUUTHJYOC-IAGOWNOFSA-N 0 0 427.520 4.556 50 0 IJAARN CCCn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000065568157 569139866 /nfs/dbraw/zinc/13/98/66/569139866.db2.gz BJTQDASAYYIGNQ-UHFFFAOYSA-N 0 0 438.553 4.675 50 0 IJAARN O=C([C@H]1C[C@@H]1c1cccnc1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000170607640 569144430 /nfs/dbraw/zinc/14/44/30/569144430.db2.gz KMGOHDMFTZAZMT-RTWAWAEBSA-N 0 0 443.385 4.672 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000170609669 569144818 /nfs/dbraw/zinc/14/48/18/569144818.db2.gz KFFSCMFDNHWOML-PZJWPPBQSA-N 0 0 445.350 4.918 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000037276509 569145381 /nfs/dbraw/zinc/14/53/81/569145381.db2.gz KOJLOARNYQZUSL-FQEVSTJZSA-N 0 0 427.548 4.576 50 0 IJAARN Cc1ccc([C@@H]2c3cc(OCC(=O)NC(C)C)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037281077 569146050 /nfs/dbraw/zinc/14/60/50/569146050.db2.gz MKUYGZUTOLFIJK-AREMUKBSSA-N 0 0 434.580 4.563 50 0 IJAARN O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000170619260 569147577 /nfs/dbraw/zinc/14/75/77/569147577.db2.gz MXUOGAAPIQLIPV-HXUWFJFHSA-N 0 0 429.442 4.559 50 0 IJAARN COc1cc2c(cc1NC(=O)CCn1cc(Br)ccc1=O)oc1ccccc12 ZINC000170626353 569148572 /nfs/dbraw/zinc/14/85/72/569148572.db2.gz RZHUJRTUCIJHSC-UHFFFAOYSA-N 0 0 441.281 4.548 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(S[C@H](C)C(=O)c3ccc(F)cc3)s2)o1 ZINC000009882198 569149529 /nfs/dbraw/zinc/14/95/29/569149529.db2.gz UHGJBGPJTXPJEU-SNVBAGLBSA-N 0 0 438.527 4.713 50 0 IJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000009883230 569149994 /nfs/dbraw/zinc/14/99/94/569149994.db2.gz CADAGOBMNTVVDM-OAHLLOKOSA-N 0 0 429.851 4.761 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCc1cccs1 ZINC000009910024 569150446 /nfs/dbraw/zinc/15/04/46/569150446.db2.gz XVFTZICBBIQXJB-UHFFFAOYSA-N 0 0 432.574 4.718 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000010025511 569151582 /nfs/dbraw/zinc/15/15/82/569151582.db2.gz QYKZLWWDIYYMQY-NNPDTBDGSA-N 0 0 447.554 4.687 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000010025520 569151693 /nfs/dbraw/zinc/15/16/93/569151693.db2.gz QYKZLWWDIYYMQY-KHOMTPLRSA-N 0 0 447.554 4.687 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc32)cc1 ZINC000010060161 569152499 /nfs/dbraw/zinc/15/24/99/569152499.db2.gz HFQFBDXYRHOBGU-VWLOTQADSA-N 0 0 425.488 4.669 50 0 IJAARN COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3OC)C[C@@H]2c2ccccc2)c1 ZINC000010060392 569152633 /nfs/dbraw/zinc/15/26/33/569152633.db2.gz KMZLTTWIRSLQHT-DHIUTWEWSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1Cl ZINC000010119402 569152677 /nfs/dbraw/zinc/15/26/77/569152677.db2.gz HLLNICCYBWNXGO-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN CCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010119423 569152712 /nfs/dbraw/zinc/15/27/12/569152712.db2.gz WGJCMEGSHKBSHR-UHFFFAOYSA-N 0 0 440.952 4.906 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119414 569152730 /nfs/dbraw/zinc/15/27/30/569152730.db2.gz JJVJHNJBTICYFC-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN COc1ccc(SCCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 ZINC000010219599 569153734 /nfs/dbraw/zinc/15/37/34/569153734.db2.gz COGHFUIPYHUYBB-UHFFFAOYSA-N 0 0 430.551 4.957 50 0 IJAARN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)c2)c1 ZINC000071819965 569154641 /nfs/dbraw/zinc/15/46/41/569154641.db2.gz IDBRPPWILKQCNE-QFIPXVFZSA-N 0 0 435.911 4.912 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c2ccccc2)c1 ZINC000071821945 569154654 /nfs/dbraw/zinc/15/46/54/569154654.db2.gz CDIHSRHTPGZIAA-ZEQRLZLVSA-N 0 0 446.478 4.859 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1Cl ZINC000013579813 569156307 /nfs/dbraw/zinc/15/63/07/569156307.db2.gz JISOCWNFJJVBNH-RTBURBONSA-N 0 0 440.952 4.835 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1 ZINC000013660287 569156570 /nfs/dbraw/zinc/15/65/70/569156570.db2.gz SIKQSMBVSAQXOA-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN Cc1ccc(OCCCOc2ccccc2/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000013896410 569157320 /nfs/dbraw/zinc/15/73/20/569157320.db2.gz ISMAEGQYXLLTKX-JJIBRWJFSA-N 0 0 442.540 4.613 50 0 IJAARN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000014412178 569158947 /nfs/dbraw/zinc/15/89/47/569158947.db2.gz YQTCVKDKEOCIAI-UHFFFAOYSA-N 0 0 429.516 4.766 50 0 IJAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000014426503 569159097 /nfs/dbraw/zinc/15/90/97/569159097.db2.gz IHLLQBOTFWQSRA-IRXDYDNUSA-N 0 0 444.597 4.539 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609916 569159493 /nfs/dbraw/zinc/15/94/93/569159493.db2.gz JSAMODSNCVLAEB-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)Cc2ccccc2)cc1C ZINC000089643252 569160397 /nfs/dbraw/zinc/16/03/97/569160397.db2.gz YXAMUFTUFYEAHC-UHFFFAOYSA-N 0 0 448.588 4.622 50 0 IJAARN CCCCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000016740595 569160788 /nfs/dbraw/zinc/16/07/88/569160788.db2.gz AXHYNGHTFPCIIA-INIZCTEOSA-N 0 0 425.529 4.743 50 0 IJAARN COc1cc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)cc(OC)c1OC ZINC000016848733 569164440 /nfs/dbraw/zinc/16/44/40/569164440.db2.gz XXFUZSSRXMJDDS-UHFFFAOYSA-N 0 0 437.521 4.660 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891057 569165548 /nfs/dbraw/zinc/16/55/48/569165548.db2.gz MDSPCNBGPIXHTP-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4nc5ccccc5s4)ccc3n2)cc1 ZINC000016954781 569167563 /nfs/dbraw/zinc/16/75/63/569167563.db2.gz NZPVLUWSUCCZKH-UHFFFAOYSA-N 0 0 447.545 4.745 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2-c2ccccc2)cc1 ZINC000089927517 569167591 /nfs/dbraw/zinc/16/75/91/569167591.db2.gz SGEIJBRQASHRBR-HDICACEKSA-N 0 0 436.581 4.825 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1OC ZINC000016959832 569168032 /nfs/dbraw/zinc/16/80/32/569168032.db2.gz DPCPNSDWBDSNIL-UHFFFAOYSA-N 0 0 436.533 4.540 50 0 IJAARN COc1ccccc1C1(CNC(=O)c2c(C)onc2-c2ccccc2Cl)CCOCC1 ZINC000016969858 569168550 /nfs/dbraw/zinc/16/85/50/569168550.db2.gz MTJJGDBXLNAKPI-UHFFFAOYSA-N 0 0 440.927 4.790 50 0 IJAARN CCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000089969569 569169358 /nfs/dbraw/zinc/16/93/58/569169358.db2.gz JETOTUQOUNYZNP-UHFFFAOYSA-N 0 0 439.533 4.658 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccccc4Cl)ncn3)C[C@H]2C)cc1 ZINC000037355796 569170928 /nfs/dbraw/zinc/17/09/28/569170928.db2.gz AYMLJZPBNXQHRX-QGZVFWFLSA-N 0 0 436.943 4.836 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CCCc4ccccc4)CC3)n2)cc1 ZINC000017042551 569171648 /nfs/dbraw/zinc/17/16/48/569171648.db2.gz LQTMQHCDAGYYSV-UHFFFAOYSA-N 0 0 429.568 4.509 50 0 IJAARN Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000017052582 569172054 /nfs/dbraw/zinc/17/20/54/569172054.db2.gz RWPTWSHAILFZKF-FQEVSTJZSA-N 0 0 433.982 4.963 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)C4CCCCC4)[C@H](C)C3)ncn2)c1 ZINC000037357355 569173932 /nfs/dbraw/zinc/17/39/32/569173932.db2.gz PBSGWMNEXDWHSD-QGZVFWFLSA-N 0 0 428.964 4.848 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1F ZINC000017121107 569174263 /nfs/dbraw/zinc/17/42/63/569174263.db2.gz MURZNPTWAFZWNU-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000017149703 569174893 /nfs/dbraw/zinc/17/48/93/569174893.db2.gz DTERHUGIUJCDTE-QGZVFWFLSA-N 0 0 441.908 4.625 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000017155546 569175016 /nfs/dbraw/zinc/17/50/16/569175016.db2.gz OUWRYZCFDOOLRU-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN Cc1nc2sc3c(c2c2nc(-c4ccc(Br)cc4)nn21)CC(C)(C)OC3 ZINC000001057391 569176588 /nfs/dbraw/zinc/17/65/88/569176588.db2.gz JOOMOBNONBKZRJ-UHFFFAOYSA-N 0 0 429.343 4.928 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001121339 569176847 /nfs/dbraw/zinc/17/68/47/569176847.db2.gz DBPBOELCNXAMSD-UHFFFAOYSA-N 0 0 436.261 4.607 50 0 IJAARN CCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000001120921 569176869 /nfs/dbraw/zinc/17/68/69/569176869.db2.gz SWJTYZQEWVQLQL-UHFFFAOYSA-N 0 0 428.444 4.937 50 0 IJAARN O=C(c1ccccc1)[C@]12c3ccccc3N(c3ccccc3)[C@@]1(c1ccccc1)NC(=O)C2=O ZINC000002077887 569177118 /nfs/dbraw/zinc/17/71/18/569177118.db2.gz IQRAQHOHYXVUSC-URLMMPGGSA-N 0 0 444.490 4.511 50 0 IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1ccccn1)nc2-c1cccc(Cl)c1 ZINC000037359493 569177290 /nfs/dbraw/zinc/17/72/90/569177290.db2.gz APRWFCNTWUDNCV-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002100283 569179668 /nfs/dbraw/zinc/17/96/68/569179668.db2.gz PBYXTSJTPXMCFP-XMMPIXPASA-N 0 0 425.484 4.898 50 0 biogenic IJAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002361282 569180778 /nfs/dbraw/zinc/18/07/78/569180778.db2.gz ULUGDOOUGFUQNZ-UHFFFAOYSA-N 0 0 427.595 4.704 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000002336133 569180799 /nfs/dbraw/zinc/18/07/99/569180799.db2.gz XLGYKUUCBQYMFC-UHFFFAOYSA-N 0 0 430.580 4.520 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccn1 ZINC000002396346 569180813 /nfs/dbraw/zinc/18/08/13/569180813.db2.gz DIUGZEKQJWMRHO-UHFFFAOYSA-N 0 0 445.548 4.670 50 0 IJAARN CC(C)(C)n1nc2nc(NCc3ccccn3)nc(-c3ccc(F)c(Cl)c3)c2c1N ZINC000037360915 569181603 /nfs/dbraw/zinc/18/16/03/569181603.db2.gz XMSGLPSUPYDVEB-UHFFFAOYSA-N 0 0 425.899 4.630 50 0 IJAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1ccccc1)nc2-c1cccc(F)c1F ZINC000037360773 569181611 /nfs/dbraw/zinc/18/16/11/569181611.db2.gz OFWMJZNXUXTIHF-UHFFFAOYSA-N 0 0 428.446 4.955 50 0 IJAARN CCOc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)cc1OC ZINC000002112537 569182089 /nfs/dbraw/zinc/18/20/89/569182089.db2.gz CBRLWXWVVYOKMS-QGZVFWFLSA-N 0 0 445.519 4.699 50 0 biogenic IJAARN O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccc(Br)cc1)c1ccccc1 ZINC000253496079 569182814 /nfs/dbraw/zinc/18/28/14/569182814.db2.gz CANGESFNPVWVGQ-HNENSFHCSA-N 0 0 447.760 4.799 50 0 IJAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Cl)cc3)CN1C(=O)CN(C1CCCC1)C2=O ZINC000002128953 569184322 /nfs/dbraw/zinc/18/43/22/569184322.db2.gz HFZZLODLOFFUOT-FNZWTVRRSA-N 0 0 447.966 4.795 50 0 biogenic IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000252458394 569184394 /nfs/dbraw/zinc/18/43/94/569184394.db2.gz FFWUSBLZMVKOIN-CMJOXMDJSA-N 0 0 437.590 4.521 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)CC2)s1 ZINC000252518036 569189292 /nfs/dbraw/zinc/18/92/92/569189292.db2.gz XSICOPGTPYACDA-ZRNYENFQSA-N 0 0 442.650 4.783 50 0 IJAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1 ZINC000037382362 569191878 /nfs/dbraw/zinc/19/18/78/569191878.db2.gz RJZCSBCVFGUUAK-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NCc3ccncc3)c2cc1C ZINC000037397437 569193538 /nfs/dbraw/zinc/19/35/38/569193538.db2.gz LCZWFAQMUMASHD-UHFFFAOYSA-N 0 0 432.955 4.999 50 0 IJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NCc3ccccn3)c2cc1C ZINC000037397931 569193985 /nfs/dbraw/zinc/19/39/85/569193985.db2.gz LLSYENJXIHHDKO-UHFFFAOYSA-N 0 0 432.955 4.999 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000037398930 569194200 /nfs/dbraw/zinc/19/42/00/569194200.db2.gz SYDLILBYUXXFQJ-UHFFFAOYSA-N 0 0 440.591 4.718 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(CC(C)C)C(=O)CC(C)(C)C)c2)cc1 ZINC000037400093 569194824 /nfs/dbraw/zinc/19/48/24/569194824.db2.gz OFRGAMBJBKRLDA-UHFFFAOYSA-N 0 0 447.597 4.884 50 0 IJAARN CC(C)CN(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000037401147 569195160 /nfs/dbraw/zinc/19/51/60/569195160.db2.gz KLDFHTXUQNSIFI-UHFFFAOYSA-N 0 0 436.549 4.560 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)CC(C)C ZINC000037401290 569195167 /nfs/dbraw/zinc/19/51/67/569195167.db2.gz KBNKJLUQMYETSH-SFHVURJKSA-N 0 0 433.570 4.636 50 0 IJAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)[C@H](C)CC ZINC000037423847 569195483 /nfs/dbraw/zinc/19/54/83/569195483.db2.gz XWPKBXMHTPOBGY-CQSZACIVSA-N 0 0 442.940 4.577 50 0 IJAARN CC(C)CN(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)C(C)C ZINC000037423111 569195704 /nfs/dbraw/zinc/19/57/04/569195704.db2.gz JSKKCMVQSCMDEZ-UHFFFAOYSA-N 0 0 441.952 4.887 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)C1 ZINC000037440619 569196620 /nfs/dbraw/zinc/19/66/20/569196620.db2.gz QETLRFADLDUSBE-IBGZPJMESA-N 0 0 436.458 4.809 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)C3CCCC3)C2)cc1OC ZINC000037440610 569196629 /nfs/dbraw/zinc/19/66/29/569196629.db2.gz HHUSPXHHHOQCIF-OAQYLSRUSA-N 0 0 440.515 4.555 50 0 IJAARN O=C(NCC1CCCCC1)c1ccccc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000037525157 569198960 /nfs/dbraw/zinc/19/89/60/569198960.db2.gz ZJSMOSAIMBZLFB-UHFFFAOYSA-N 0 0 425.617 4.662 50 0 IJAARN O=C(NCc1ccccn1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037543523 569199569 /nfs/dbraw/zinc/19/95/69/569199569.db2.gz BEMWWRJLDWRMTC-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN COc1cccc(C(=O)Nc2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000037544185 569199605 /nfs/dbraw/zinc/19/96/05/569199605.db2.gz SUBIODCSXRFDJB-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547000 569199875 /nfs/dbraw/zinc/19/98/75/569199875.db2.gz QDVQDOREHVTKGW-HSZRJFAPSA-N 0 0 433.552 4.818 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2ccc(F)cc2)cc1 ZINC000037546871 569200157 /nfs/dbraw/zinc/20/01/57/569200157.db2.gz MXZDJVLTOKKAPU-UHFFFAOYSA-N 0 0 425.504 4.920 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)cc1)NCCc1ccccc1 ZINC000037555917 569200606 /nfs/dbraw/zinc/20/06/06/569200606.db2.gz MALQOPQZSCMKPM-UHFFFAOYSA-N 0 0 430.523 4.670 50 0 IJAARN Cc1ccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000037559138 569200822 /nfs/dbraw/zinc/20/08/22/569200822.db2.gz FUXISYQWMQEYKV-UHFFFAOYSA-N 0 0 444.579 4.875 50 0 IJAARN CC(C)CNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000037600729 569202399 /nfs/dbraw/zinc/20/23/99/569202399.db2.gz UEQGOTDNIUCSLJ-UHFFFAOYSA-N 0 0 438.568 4.978 50 0 IJAARN CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2[C@@H]1c1cccc(F)c1 ZINC000037602851 569202463 /nfs/dbraw/zinc/20/24/63/569202463.db2.gz UKZHQYTVRFZDSO-SANMLTNESA-N 0 0 432.495 4.646 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NCC1CC1 ZINC000037601888 569202479 /nfs/dbraw/zinc/20/24/79/569202479.db2.gz DIZYAPPSHVMBFZ-JWQCQUIFSA-N 0 0 434.580 4.500 50 0 IJAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)CCc1ccccc1 ZINC000037623624 569203272 /nfs/dbraw/zinc/20/32/72/569203272.db2.gz UDVQCLKAYUHARP-SFHVURJKSA-N 0 0 436.943 4.592 50 0 IJAARN CC1(C)Cc2nc3sc4c(ncnc4SCC(=O)Nc4ccccc4)c3cc2CO1 ZINC000002220786 569204497 /nfs/dbraw/zinc/20/44/97/569204497.db2.gz KWHJHWNOWUHWHW-UHFFFAOYSA-N 0 0 436.562 4.822 50 0 IJAARN COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@H](c4ccc(F)cc4)[C@@H]32)c1 ZINC000066091738 569205839 /nfs/dbraw/zinc/20/58/39/569205839.db2.gz HFUODYSENTUUDB-PMACEKPBSA-N 0 0 433.487 4.560 50 0 IJAARN O=c1c(=Cc2cc(Cl)ccc2OCc2ccccc2F)sc2nc3ccccc3n12 ZINC000252666651 569209718 /nfs/dbraw/zinc/20/97/18/569209718.db2.gz CDDDNUUWUKSUCL-UHFFFAOYSA-N 0 0 436.895 4.828 50 0 IJAARN COc1ccc(-c2c(C)sc(=NC(=O)c3ccccc3)n2-c2cnc(SC)nc2)cc1 ZINC000252673656 569210154 /nfs/dbraw/zinc/21/01/54/569210154.db2.gz RHQXWYUGQWMZSF-UHFFFAOYSA-N 0 0 448.573 4.776 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1cccc(F)c1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691226 569212648 /nfs/dbraw/zinc/21/26/48/569212648.db2.gz JNISRTHHVQNBMW-UHFFFAOYSA-N 0 0 431.463 4.746 50 0 IJAARN COC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)sc2c1CCCC2 ZINC000002240885 569213605 /nfs/dbraw/zinc/21/36/05/569213605.db2.gz NCXQWSFVVNCKAS-UHFFFAOYSA-N 0 0 431.897 4.734 50 0 IJAARN CCCCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccccc2)c1NC(=O)CC ZINC000002241501 569213644 /nfs/dbraw/zinc/21/36/44/569213644.db2.gz APYAEDJWIQYWNX-UHFFFAOYSA-N 0 0 436.537 4.566 50 0 IJAARN CCCSc1nc2ccc(I)cc2c(=O)n1-c1ccc(C)cc1 ZINC000002252572 569214212 /nfs/dbraw/zinc/21/42/12/569214212.db2.gz NOZVGYNQUFVLLD-UHFFFAOYSA-N 0 0 436.318 4.801 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1c1nccs1 ZINC000002249993 569214804 /nfs/dbraw/zinc/21/48/04/569214804.db2.gz VBDXNUGEJIESGP-INIZCTEOSA-N 0 0 439.290 4.762 50 0 IJAARN CCCCCN(C(=O)NC(=O)Nc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000027496079 569215701 /nfs/dbraw/zinc/21/57/01/569215701.db2.gz QDAUKQPKBBVTDO-UHFFFAOYSA-N 0 0 439.537 4.962 50 0 IJAARN Cc1c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000002264226 569216070 /nfs/dbraw/zinc/21/60/70/569216070.db2.gz UASIHZOYNQUAFR-UHFFFAOYSA-N 0 0 429.513 4.581 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002265652 569216157 /nfs/dbraw/zinc/21/61/57/569216157.db2.gz FUMIWZBOAWRZDW-OAQYLSRUSA-N 0 0 449.503 4.591 50 0 IJAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CCCC3 ZINC000002268800 569216489 /nfs/dbraw/zinc/21/64/89/569216489.db2.gz CKMZKHMDGLPUEY-UHFFFAOYSA-N 0 0 426.592 4.915 50 0 IJAARN CC(C)CNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002256474 569216862 /nfs/dbraw/zinc/21/68/62/569216862.db2.gz MWUGVPBKCISVCG-UHFFFAOYSA-N 0 0 427.430 4.561 50 0 IJAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002273122 569217751 /nfs/dbraw/zinc/21/77/51/569217751.db2.gz LHNDDWJDDYAMNC-LLVKDONJSA-N 0 0 445.306 4.654 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000027527450 569263248 /nfs/dbraw/zinc/26/32/48/569263248.db2.gz GPMULXCJGPYWFR-UHFFFAOYSA-N 0 0 440.286 4.763 50 0 IJAARN Cc1cccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)c1 ZINC000027527591 569263352 /nfs/dbraw/zinc/26/33/52/569263352.db2.gz FVGHMLMBNDCBFK-UHFFFAOYSA-N 0 0 434.293 4.518 50 0 IJAARN CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000027528360 569263617 /nfs/dbraw/zinc/26/36/17/569263617.db2.gz UHUMIMHPCRXZNR-HAHDFKILSA-N 0 0 440.455 4.768 50 0 IJAARN O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000253397376 569264689 /nfs/dbraw/zinc/26/46/89/569264689.db2.gz FQDGDYHDHKBVAP-LJQANCHMSA-N 0 0 425.497 4.813 50 0 IJAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253401338 569265004 /nfs/dbraw/zinc/26/50/04/569265004.db2.gz FNNFJUGRXAABRZ-LJQANCHMSA-N 0 0 436.895 4.678 50 0 biogenic IJAARN CC(C)Cc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000002296130 569268537 /nfs/dbraw/zinc/26/85/37/569268537.db2.gz RUQOVRQEJCTSCO-AWEZNQCLSA-N 0 0 426.586 4.880 50 0 IJAARN CCOC(=O)[C@@](NC(=O)Nc1ccccc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002317218 569272444 /nfs/dbraw/zinc/27/24/44/569272444.db2.gz GZMWBDGSXZAWQK-KRWDZBQOSA-N 0 0 449.351 4.761 50 0 IJAARN CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@@](C)(CC)Cc2ccccc2-1 ZINC000002368963 569288836 /nfs/dbraw/zinc/28/88/36/569288836.db2.gz FQTPLSRHNVVSCQ-VWLOTQADSA-N 0 0 430.577 4.942 50 0 IJAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002369915 569288837 /nfs/dbraw/zinc/28/88/37/569288837.db2.gz DCUTXYJFDIFGER-JXFKEZNVSA-N 0 0 445.585 4.672 50 0 IJAARN c1[nH]c2ccccc2c1CCCc1nc2nccc(-c3ccc4c(c3)OCCCO4)n2n1 ZINC000253414755 569289115 /nfs/dbraw/zinc/28/91/15/569289115.db2.gz YMCIGHFYHBKYEH-UHFFFAOYSA-N 0 0 425.492 4.609 50 0 IJAARN Cc1ccc(Cn2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002378104 569289581 /nfs/dbraw/zinc/28/95/81/569289581.db2.gz VZNQJPVZFBPLNG-UHFFFAOYSA-N 0 0 442.544 4.665 50 0 IJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002387072 569295056 /nfs/dbraw/zinc/29/50/56/569295056.db2.gz CFVBHOUVBNRJIA-UHFFFAOYSA-N 0 0 441.203 4.988 50 0 IJAARN COc1cc(/C=C/C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)ccc1OC(F)F ZINC000009349408 569295827 /nfs/dbraw/zinc/29/58/27/569295827.db2.gz XJOALUWBJIWOGK-YRNVUSSQSA-N 0 0 428.435 4.856 50 0 IJAARN O=C(C(=Cc1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCCC1 ZINC000009609309 569297479 /nfs/dbraw/zinc/29/74/79/569297479.db2.gz LDWUXJJLKTXLHK-GHRIWEEISA-N 0 0 433.558 4.876 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002398660 569298734 /nfs/dbraw/zinc/29/87/34/569298734.db2.gz AXVWZPWXGPHYEG-MOPGFXCFSA-N 0 0 425.920 4.681 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1nncs1 ZINC000002410074 569300652 /nfs/dbraw/zinc/30/06/52/569300652.db2.gz NPOJVJXWIXFTBP-OAHLLOKOSA-N 0 0 430.272 4.701 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1OC ZINC000002412836 569301096 /nfs/dbraw/zinc/30/10/96/569301096.db2.gz HBCUUUFBSMCLDQ-FQEVSTJZSA-N 0 0 448.500 4.633 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC)s2)c1 ZINC000002415966 569301524 /nfs/dbraw/zinc/30/15/24/569301524.db2.gz PNBQEQWHOSILCL-FQEVSTJZSA-N 0 0 447.516 4.664 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000002428455 569302770 /nfs/dbraw/zinc/30/27/70/569302770.db2.gz KOLBKDJSVMTJHZ-QHCPKHFHSA-N 0 0 435.520 4.779 50 0 IJAARN CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002434161 569303536 /nfs/dbraw/zinc/30/35/36/569303536.db2.gz HJFSCZPWWMHGED-MGPUTAFESA-N 0 0 441.936 4.893 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1 ZINC000002435048 569303693 /nfs/dbraw/zinc/30/36/93/569303693.db2.gz DEGWBUNZCBSGPX-FQEVSTJZSA-N 0 0 447.516 4.601 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2c(N)n(Cc3cccs3)c3nc4ccccc4nc32)c1 ZINC000002440220 569304014 /nfs/dbraw/zinc/30/40/14/569304014.db2.gz WEJDFYUMFUFFIV-UHFFFAOYSA-N 0 0 448.573 4.726 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000002447566 569304473 /nfs/dbraw/zinc/30/44/73/569304473.db2.gz LCEZXHDXMPJBAF-UHFFFAOYSA-N 0 0 439.928 4.517 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nn(-c2cccc(Cl)c2)c(=O)cc1C(F)(F)F ZINC000012956943 569305333 /nfs/dbraw/zinc/30/53/33/569305333.db2.gz VMFLMOJPPPDNQQ-UHFFFAOYSA-N 0 0 428.197 4.810 50 0 IJAARN CCc1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000013038638 569307765 /nfs/dbraw/zinc/30/77/65/569307765.db2.gz VUURMNXUYAEJPG-ZDUSSCGKSA-N 0 0 441.881 4.819 50 0 IJAARN Cc1c(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)sc2cccc(F)c12 ZINC000013095852 569309449 /nfs/dbraw/zinc/30/94/49/569309449.db2.gz AHFVPJCACLHKPY-UHFFFAOYSA-N 0 0 440.418 4.958 50 0 IJAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1ccccc1 ZINC000013095479 569309460 /nfs/dbraw/zinc/30/94/60/569309460.db2.gz FTPVTYAGXRNTNT-FQEVSTJZSA-N 0 0 437.613 4.658 50 0 IJAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013096957 569309596 /nfs/dbraw/zinc/30/95/96/569309596.db2.gz LQJBPOXXGHNNLA-UHFFFAOYSA-N 0 0 435.520 4.607 50 0 IJAARN CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013097825 569309820 /nfs/dbraw/zinc/30/98/20/569309820.db2.gz IDFRRQOVTLFYGP-NSHDSACASA-N 0 0 434.489 4.994 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)c1ccccc1Cl ZINC000013109266 569310233 /nfs/dbraw/zinc/31/02/33/569310233.db2.gz VAVWJQGHLZMBMR-QHCPKHFHSA-N 0 0 432.907 4.906 50 0 IJAARN O=C(COc1ccccc1)NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000013283315 569312614 /nfs/dbraw/zinc/31/26/14/569312614.db2.gz URCJBMAJNSCTEH-UHFFFAOYSA-N 0 0 437.902 4.615 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4cc(F)ccc4F)cc32)cc1 ZINC000013355943 569313542 /nfs/dbraw/zinc/31/35/42/569313542.db2.gz QCALVWFVJYTPEA-UHFFFAOYSA-N 0 0 443.475 4.669 50 0 IJAARN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000013356356 569313651 /nfs/dbraw/zinc/31/36/51/569313651.db2.gz XNINELCQQGIMSJ-UHFFFAOYSA-N 0 0 425.488 4.815 50 0 IJAARN O=C(NCCCc1ccccc1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366363 569314350 /nfs/dbraw/zinc/31/43/50/569314350.db2.gz KQCZYNAZJPCFPN-VWLOTQADSA-N 0 0 444.600 4.693 50 0 IJAARN CC(C)CC(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000013368398 569314565 /nfs/dbraw/zinc/31/45/65/569314565.db2.gz PGOVADPQSIIOKJ-UHFFFAOYSA-N 0 0 440.569 4.762 50 0 IJAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)N1CCC2(CC1)OCCO2 ZINC000013369470 569314844 /nfs/dbraw/zinc/31/48/44/569314844.db2.gz HSFSGKYLORJXBP-UHFFFAOYSA-N 0 0 439.943 4.502 50 0 IJAARN Cc1ccccc1S(=O)(=O)N(C)c1ccc(Br)cc1C(=O)c1ccccc1 ZINC000328598828 569318093 /nfs/dbraw/zinc/31/80/93/569318093.db2.gz OQPFJUMFCJHUGA-UHFFFAOYSA-N 0 0 444.350 4.814 50 0 IJAARN O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1ccccc1-c1ccccc1 ZINC000078904319 569320227 /nfs/dbraw/zinc/32/02/27/569320227.db2.gz RRMCESZLKMKDEG-UHFFFAOYSA-N 0 0 438.512 4.826 50 0 IJAARN C[C@@H]1CN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c2ccccc2NC1=O ZINC000078954032 569320530 /nfs/dbraw/zinc/32/05/30/569320530.db2.gz GYQSANLJHPMZEJ-GOSISDBHSA-N 0 0 443.551 4.563 50 0 IJAARN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000078974417 569321058 /nfs/dbraw/zinc/32/10/58/569321058.db2.gz UCEXSKLXQPTKLT-DRKIFQHWSA-N 0 0 444.597 4.577 50 0 IJAARN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000079020889 569322361 /nfs/dbraw/zinc/32/23/61/569322361.db2.gz JIIPIIKBXDHKLE-QHCPKHFHSA-N 0 0 426.520 4.697 50 0 IJAARN CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccc(Cl)cc4)sc3C)cc21 ZINC000019796520 569329557 /nfs/dbraw/zinc/32/95/57/569329557.db2.gz XTPCYLOSBBFENX-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1C ZINC000019943559 569332153 /nfs/dbraw/zinc/33/21/53/569332153.db2.gz UAVFRECRNWXJEC-UHFFFAOYSA-N 0 0 427.397 4.738 50 0 IJAARN O=C(N1CC[C@H](c2cccs2)S(=O)(=O)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000390828408 569353913 /nfs/dbraw/zinc/35/39/13/569353913.db2.gz AWMIQSNRNZJLHV-LJQANCHMSA-N 0 0 438.014 4.602 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCc1ccccn1 ZINC000020181003 569355245 /nfs/dbraw/zinc/35/52/45/569355245.db2.gz QGQCUPWFMLTZQS-FYJGNVAPSA-N 0 0 435.936 4.531 50 0 IJAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216367 569356710 /nfs/dbraw/zinc/35/67/10/569356710.db2.gz NBEANXWRIRTLLS-UHFFFAOYSA-N 0 0 426.451 4.577 50 0 IJAARN CCc1ccc(CNC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)cc1 ZINC000020233763 569357293 /nfs/dbraw/zinc/35/72/93/569357293.db2.gz UWRYAOAPTMEKAG-UHFFFAOYSA-N 0 0 435.549 4.811 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000080324650 569362235 /nfs/dbraw/zinc/36/22/35/569362235.db2.gz GJVPVDKHOVADBX-SFHVURJKSA-N 0 0 425.945 4.971 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000080324703 569362307 /nfs/dbraw/zinc/36/23/07/569362307.db2.gz LNFHQTQTSYVLAA-SFHVURJKSA-N 0 0 425.945 4.971 50 0 IJAARN Cc1nc(Cl)cc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 ZINC000095394833 569363570 /nfs/dbraw/zinc/36/35/70/569363570.db2.gz PEUSJJPMEIZKDA-AWEZNQCLSA-N 0 0 434.725 4.516 50 0 IJAARN O=C(NCCCc1ccccc1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415058 569364297 /nfs/dbraw/zinc/36/42/97/569364297.db2.gz OCBIQZOXWQIKKN-UHFFFAOYSA-N 0 0 448.567 4.949 50 0 IJAARN O=C(c1c[nH]c2ccccc21)[C@@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405889 569364534 /nfs/dbraw/zinc/36/45/34/569364534.db2.gz UFYYIVLOCRFPAZ-ZCYQVOJMSA-N 0 0 445.588 4.817 50 0 IJAARN O=C(c1c[nH]c2ccccc21)[C@H](NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405890 569364595 /nfs/dbraw/zinc/36/45/95/569364595.db2.gz UFYYIVLOCRFPAZ-UKILVPOCSA-N 0 0 445.588 4.817 50 0 IJAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1OC ZINC000020439046 569365724 /nfs/dbraw/zinc/36/57/24/569365724.db2.gz OLLHDAQHEYIZAU-XLNRJJMWSA-N 0 0 433.552 4.699 50 0 IJAARN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1F ZINC000095465583 569370820 /nfs/dbraw/zinc/37/08/20/569370820.db2.gz WFBBRFGVMFNZMN-FQEVSTJZSA-N 0 0 444.938 4.886 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1)CC2 ZINC000095472646 569372122 /nfs/dbraw/zinc/37/21/22/569372122.db2.gz BZHLXAAXVRWIPQ-OAQYLSRUSA-N 0 0 438.955 4.918 50 0 IJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475024 569372591 /nfs/dbraw/zinc/37/25/91/569372591.db2.gz OJAXOPYCUPNWGW-YJYMSZOUSA-N 0 0 447.557 4.631 50 0 IJAARN Cc1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(Cc2ccccc2)s1 ZINC000095479495 569373794 /nfs/dbraw/zinc/37/37/94/569373794.db2.gz XXKRVJCEWNELQZ-UHFFFAOYSA-N 0 0 426.969 4.820 50 0 IJAARN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000095482499 569374273 /nfs/dbraw/zinc/37/42/73/569374273.db2.gz NTGSFTKYHXOPCB-NRFANRHFSA-N 0 0 437.540 4.859 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC1CN(C(=O)OC(C)(C)C)C1 ZINC000095942819 569375566 /nfs/dbraw/zinc/37/55/66/569375566.db2.gz OWPRUGMWPIYOJU-UHFFFAOYSA-N 0 0 430.448 4.647 50 0 IJAARN CCCNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3sc(C)c(C)c32)cc1 ZINC000095949004 569376586 /nfs/dbraw/zinc/37/65/86/569376586.db2.gz PPCDTXJDNWXUQN-UHFFFAOYSA-N 0 0 444.504 4.759 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000095993292 569378302 /nfs/dbraw/zinc/37/83/02/569378302.db2.gz ZWCFDTIUWGQDDU-OAQYLSRUSA-N 0 0 441.535 4.774 50 0 IJAARN O=C(Nc1c(Br)cc(F)cc1Br)c1ccccc1-n1cccn1 ZINC000096006646 569379519 /nfs/dbraw/zinc/37/95/19/569379519.db2.gz YKNULNIMCBQEEG-UHFFFAOYSA-N 0 0 439.082 4.789 50 0 IJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103464 569381983 /nfs/dbraw/zinc/38/19/83/569381983.db2.gz CUDMHHRFXODWMM-FQEVSTJZSA-N 0 0 431.966 4.757 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103476 569382014 /nfs/dbraw/zinc/38/20/14/569382014.db2.gz LQKVWJBHJGACPK-QFIPXVFZSA-N 0 0 439.964 4.547 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=CC(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000096113619 569382618 /nfs/dbraw/zinc/38/26/18/569382618.db2.gz WTRHMMAHUQAPMC-SEYXRHQNSA-N 0 0 427.504 4.777 50 0 IJAARN Cc1ncc(CN2CCSCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116502 569383760 /nfs/dbraw/zinc/38/37/60/569383760.db2.gz ZQSKIIXZFXDEDA-UHFFFAOYSA-N 0 0 432.545 4.947 50 0 biogenic IJAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(Br)cs1 ZINC000096120402 569384942 /nfs/dbraw/zinc/38/49/42/569384942.db2.gz OECFMEDCBCSERT-UHFFFAOYSA-N 0 0 447.354 4.539 50 0 IJAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000096120381 569384951 /nfs/dbraw/zinc/38/49/51/569384951.db2.gz VNNIVHKLWQZJLB-UHFFFAOYSA-N 0 0 434.458 4.665 50 0 IJAARN O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000096121691 569385153 /nfs/dbraw/zinc/38/51/53/569385153.db2.gz PCZWQXUWOFKART-UHFFFAOYSA-N 0 0 437.547 4.911 50 0 IJAARN O=C(NCc1ccccc1Cl)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124039 569385363 /nfs/dbraw/zinc/38/53/63/569385363.db2.gz AJUAJZGUIINTKA-UHFFFAOYSA-N 0 0 445.954 4.607 50 0 IJAARN COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)n1 ZINC000096203386 569386365 /nfs/dbraw/zinc/38/63/65/569386365.db2.gz QOGLXFYYCQYAJQ-UHFFFAOYSA-N 0 0 433.443 4.735 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c(OC)c1 ZINC000096221177 569386852 /nfs/dbraw/zinc/38/68/52/569386852.db2.gz NBDRTDKZCYFVDR-IBGZPJMESA-N 0 0 444.439 4.624 50 0 biogenic IJAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096222135 569387097 /nfs/dbraw/zinc/38/70/97/569387097.db2.gz SBCIBLCFTUJDCW-OAQYLSRUSA-N 0 0 430.504 4.718 50 0 biogenic IJAARN CC(C)CN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)COCc1ccccc1 ZINC000096276261 569388529 /nfs/dbraw/zinc/38/85/29/569388529.db2.gz HPCWRCYIJFSSTP-UHFFFAOYSA-N 0 0 427.932 4.634 50 0 IJAARN C[C@@]1(CNC(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2ccccc2)CCCO1 ZINC000096276934 569388679 /nfs/dbraw/zinc/38/86/79/569388679.db2.gz BFVMLSVWCXRDPR-MHZLTWQESA-N 0 0 445.563 4.727 50 0 IJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000096277451 569388778 /nfs/dbraw/zinc/38/87/78/569388778.db2.gz AXSLVOXNTWVTRV-QGZVFWFLSA-N 0 0 427.932 4.947 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2)C(=O)NC1CC1 ZINC000096281150 569389808 /nfs/dbraw/zinc/38/98/08/569389808.db2.gz OSJIQUYMXCKFQV-CLJLJLNGSA-N 0 0 446.591 4.787 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC3CC3)C(=O)CC(C)(C)C)cc2)cc1 ZINC000096291795 569391142 /nfs/dbraw/zinc/39/11/42/569391142.db2.gz PZKWNJUGZQWJMD-UHFFFAOYSA-N 0 0 445.581 4.638 50 0 IJAARN COc1cc(-c2noc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc(OC)c1OC ZINC000096293993 569391782 /nfs/dbraw/zinc/39/17/82/569391782.db2.gz VTOGJAZKRDICPM-GOSISDBHSA-N 0 0 445.903 4.543 50 0 IJAARN COc1cc(OC)cc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3cccs3)n2)c1 ZINC000096294229 569391784 /nfs/dbraw/zinc/39/17/84/569391784.db2.gz PWERNJXCNWMFLC-LJQANCHMSA-N 0 0 435.505 4.529 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2ccccc2F)cc1 ZINC000096294380 569391793 /nfs/dbraw/zinc/39/17/93/569391793.db2.gz MHVOBLPNZJEGEE-XMMPIXPASA-N 0 0 447.485 4.723 50 0 IJAARN CC(C)(C)C1CCC(NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000096299968 569392025 /nfs/dbraw/zinc/39/20/25/569392025.db2.gz DBWTZKCPTPBEIH-UHFFFAOYSA-N 0 0 440.459 4.832 50 0 IJAARN CCC(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000096317038 569393027 /nfs/dbraw/zinc/39/30/27/569393027.db2.gz JPHMEDGBKKFPKP-UHFFFAOYSA-N 0 0 448.533 4.831 50 0 IJAARN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H](O)c1ccc(OCCc3ccccc3)cc1O2 ZINC000096319620 569393948 /nfs/dbraw/zinc/39/39/48/569393948.db2.gz MPYDYYQIRLHPIQ-PXDATVDWSA-N 0 0 425.525 4.504 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1)c1ccccc1 ZINC000096322674 569394787 /nfs/dbraw/zinc/39/47/87/569394787.db2.gz RDVBUFCFSFHUMB-UHFFFAOYSA-N 0 0 434.395 4.989 50 0 IJAARN CCOc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn34)C2)cc1 ZINC000096323823 569395512 /nfs/dbraw/zinc/39/55/12/569395512.db2.gz LPADEODEVODLAD-UHFFFAOYSA-N 0 0 437.500 4.586 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000096324502 569395961 /nfs/dbraw/zinc/39/59/61/569395961.db2.gz WDYQWLSCZFXECQ-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccc(C(F)(F)F)cc4)no3)cc2c1 ZINC000096349576 569397291 /nfs/dbraw/zinc/39/72/91/569397291.db2.gz PTUFCWNXIOCQQK-UHFFFAOYSA-N 0 0 428.414 4.860 50 0 IJAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccc(C(C)(C)C)cc4)no3)[nH]c2c1 ZINC000096349438 569397324 /nfs/dbraw/zinc/39/73/24/569397324.db2.gz NUBYBPOZDGLVFO-UHFFFAOYSA-N 0 0 432.524 4.839 50 0 IJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)NCc1cccc(Cl)c1 ZINC000096387120 569398857 /nfs/dbraw/zinc/39/88/57/569398857.db2.gz HIIROZQJKBIQMP-LJQANCHMSA-N 0 0 426.303 4.796 50 0 IJAARN CSc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000096387132 569398902 /nfs/dbraw/zinc/39/89/02/569398902.db2.gz IBIBJBIEDWRVBY-HXUWFJFHSA-N 0 0 437.952 4.865 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)cc1Cl ZINC000096399707 569400253 /nfs/dbraw/zinc/40/02/53/569400253.db2.gz LMKXCDKBYLHGHP-UHFFFAOYSA-N 0 0 439.946 4.784 50 0 IJAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000096405051 569400644 /nfs/dbraw/zinc/40/06/44/569400644.db2.gz WXPHJRJZUWQUIM-LPDYGMJQSA-N 0 0 441.524 4.594 50 0 IJAARN COc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)Nc2cccc(O)c2)cc1 ZINC000096568802 569401446 /nfs/dbraw/zinc/40/14/46/569401446.db2.gz VJKJFOCDFDVGSH-PCLIKHOPSA-N 0 0 438.483 4.964 50 0 IJAARN CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000097230298 569403383 /nfs/dbraw/zinc/40/33/83/569403383.db2.gz MBLVMYYXDMLHBI-UHFFFAOYSA-N 0 0 430.302 4.988 50 0 IJAARN CC1=Nc2ncnn2[C@@H](c2cc(Cl)ccc2OC(F)F)C1C(=O)OC1CCCCC1 ZINC000002464612 569403858 /nfs/dbraw/zinc/40/38/58/569403858.db2.gz BLBKGCYQTMCHMV-KRWDZBQOSA-N 0 0 438.862 4.698 50 0 IJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2cc(OC)c(OC)c(OC)c2)CO1 ZINC000055393814 569404258 /nfs/dbraw/zinc/40/42/58/569404258.db2.gz OTMHPSLHHPRUCH-UHFFFAOYSA-N 0 0 439.508 4.514 50 0 biogenic IJAARN Cc1ccc([C@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000002488227 569405167 /nfs/dbraw/zinc/40/51/67/569405167.db2.gz AHLOYDTWZUVSAV-LJQANCHMSA-N 0 0 430.323 4.752 50 0 IJAARN COc1ccc(C(=O)Nc2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000028049193 569406719 /nfs/dbraw/zinc/40/67/19/569406719.db2.gz WTFBYZNQSCPRPL-UHFFFAOYSA-N 0 0 425.554 4.563 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002594619 569410016 /nfs/dbraw/zinc/41/00/16/569410016.db2.gz RNIUMINQRRGBHE-UHFFFAOYSA-N 0 0 429.516 4.807 50 0 IJAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C)CCCC2 ZINC000002617331 569410400 /nfs/dbraw/zinc/41/04/00/569410400.db2.gz SQWSECMJLVOLPW-UHFFFAOYSA-N 0 0 442.581 4.569 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nnc1-c1ccccc1 ZINC000002619003 569410585 /nfs/dbraw/zinc/41/05/85/569410585.db2.gz UBEQXABPBKVCJZ-UHFFFAOYSA-N 0 0 446.580 4.696 50 0 IJAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 ZINC000002619343 569410742 /nfs/dbraw/zinc/41/07/42/569410742.db2.gz RQTYJAFEAWTCMG-FXAWDEMLSA-N 0 0 433.581 4.773 50 0 IJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)C2=O ZINC000002625775 569411601 /nfs/dbraw/zinc/41/16/01/569411601.db2.gz AHQQIXJOQBOJRI-UHFFFAOYSA-N 0 0 440.371 4.849 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)NC1CCCCC1 ZINC000002626042 569411805 /nfs/dbraw/zinc/41/18/05/569411805.db2.gz GJRDKWSZHRDUAV-UHFFFAOYSA-N 0 0 441.984 4.639 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(Cl)cc3F)cc12 ZINC000002632258 569412583 /nfs/dbraw/zinc/41/25/83/569412583.db2.gz PTLXXNXRIAWYKE-UHFFFAOYSA-N 0 0 443.887 4.983 50 0 IJAARN Cc1nc(NC(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)c(Cl)cc1Cl ZINC000002632224 569412591 /nfs/dbraw/zinc/41/25/91/569412591.db2.gz NDWUCIKMOXDNIF-UHFFFAOYSA-N 0 0 430.291 4.529 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)CCc1ccccc1 ZINC000002633384 569412626 /nfs/dbraw/zinc/41/26/26/569412626.db2.gz DKVQDRVRGJJKQB-UHFFFAOYSA-N 0 0 437.517 4.706 50 0 IJAARN Cc1sc2[nH]c(CSc3nnc(-c4ccco4)n3Cc3ccccc3)nc(=O)c2c1C ZINC000002640011 569413552 /nfs/dbraw/zinc/41/35/52/569413552.db2.gz NUKPGBNJWBNKEA-UHFFFAOYSA-N 0 0 449.561 4.794 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1C ZINC000002644655 569414057 /nfs/dbraw/zinc/41/40/57/569414057.db2.gz MBDDTSUPFZQJEW-UHFFFAOYSA-N 0 0 445.544 4.817 50 0 IJAARN C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002649724 569414660 /nfs/dbraw/zinc/41/46/60/569414660.db2.gz DVHMVMBTKQSWIM-SNVBAGLBSA-N 0 0 433.835 4.954 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000002653144 569415173 /nfs/dbraw/zinc/41/51/73/569415173.db2.gz WZPWMZNTXCTZTI-UHFFFAOYSA-N 0 0 445.906 4.666 50 0 IJAARN Cc1ccc(Nc2nc(COC(=O)C[C@H]3Sc4ccccc4NC3=O)cs2)cc1 ZINC000002657267 569415662 /nfs/dbraw/zinc/41/56/62/569415662.db2.gz XRLHKMLIOGEGJU-GOSISDBHSA-N 0 0 425.535 4.741 50 0 IJAARN O=C(C=Cc1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1 ZINC000002684819 569416753 /nfs/dbraw/zinc/41/67/53/569416753.db2.gz CECFPBUFPUEXJR-GIDUJCDVSA-N 0 0 427.435 4.513 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691239 569416999 /nfs/dbraw/zinc/41/69/99/569416999.db2.gz NWYQERKQGROXTA-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691632 569417141 /nfs/dbraw/zinc/41/71/41/569417141.db2.gz DCRVPWNYCKAAES-UHFFFAOYSA-N 0 0 431.463 4.746 50 0 IJAARN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccn(COc2ccccc2)n1 ZINC000002728671 569418714 /nfs/dbraw/zinc/41/87/14/569418714.db2.gz CXCPAMTUPMCUBF-UHFFFAOYSA-N 0 0 442.447 4.897 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002805283 569422629 /nfs/dbraw/zinc/42/26/29/569422629.db2.gz ATJLENBATCRUCR-UHFFFAOYSA-N 0 0 440.308 4.635 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cn2cncn2)cc1 ZINC000029026785 569424463 /nfs/dbraw/zinc/42/44/63/569424463.db2.gz JQWXAEMXZGXAQO-UHFFFAOYSA-N 0 0 429.446 4.588 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1Cl)NC1CCCCC1 ZINC000002908767 569424573 /nfs/dbraw/zinc/42/45/73/569424573.db2.gz RIOBGCFQZPPZHN-UHFFFAOYSA-N 0 0 448.013 4.701 50 0 IJAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3cccc(Cl)c3C)c2c1C ZINC000002912207 569425020 /nfs/dbraw/zinc/42/50/20/569425020.db2.gz CSQUOJZSVYJSAD-UHFFFAOYSA-N 0 0 433.917 4.597 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002915174 569425072 /nfs/dbraw/zinc/42/50/72/569425072.db2.gz IZONCLVGACSPIE-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000002918845 569425303 /nfs/dbraw/zinc/42/53/03/569425303.db2.gz APMBGAPDMKCGSX-OAHLLOKOSA-N 0 0 437.219 4.837 50 0 IJAARN COc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)cc1 ZINC000002943149 569426880 /nfs/dbraw/zinc/42/68/80/569426880.db2.gz VAHCBVWOKVMTJG-UHFFFAOYSA-N 0 0 439.393 4.665 50 0 IJAARN COc1ccc(-n2nc(C(=O)N(C)c3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 ZINC000002944013 569426891 /nfs/dbraw/zinc/42/68/91/569426891.db2.gz KESWIJQVZBPBAV-UHFFFAOYSA-N 0 0 427.504 4.794 50 0 IJAARN CCCCc1ccc(C2=NC(=CNc3ccccc3I)C(=O)O2)cc1 ZINC000002946605 569427055 /nfs/dbraw/zinc/42/70/55/569427055.db2.gz RWSIYJNRMTTYBQ-AQTBWJFISA-N 0 0 446.288 4.891 50 0 IJAARN CCC1=CO[C@](CC)([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)CC1 ZINC000226863503 569429901 /nfs/dbraw/zinc/42/99/01/569429901.db2.gz SCQXXMAARAHUFR-ONJIFJTESA-N 0 0 432.520 4.618 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000057315215 569430799 /nfs/dbraw/zinc/43/07/99/569430799.db2.gz AUOVXLCQTAEKPX-RPLLCQBOSA-N 0 0 443.547 4.800 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)COc1cccc(C)c1C)CC2 ZINC000029700914 569431797 /nfs/dbraw/zinc/43/17/97/569431797.db2.gz HPUQTDSYMYKPHI-RUZDIDTESA-N 0 0 437.561 4.935 50 0 IJAARN CCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1 ZINC000002953144 569432199 /nfs/dbraw/zinc/43/21/99/569432199.db2.gz WZEPQWZXCUOFGL-SGEDCAFJSA-N 0 0 427.504 4.984 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1 ZINC000002954882 569432340 /nfs/dbraw/zinc/43/23/40/569432340.db2.gz CIORGRBBTBCRHL-COOPMVRXSA-N 0 0 449.894 4.775 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2F)cc1 ZINC000057381126 569432804 /nfs/dbraw/zinc/43/28/04/569432804.db2.gz QEUDAGRMVFDVLN-DLBZAZTESA-N 0 0 435.499 4.764 50 0 IJAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCCC1 ZINC000002980202 569433730 /nfs/dbraw/zinc/43/37/30/569433730.db2.gz QYQOCAFOHSUQSA-NRFANRHFSA-N 0 0 439.552 4.798 50 0 IJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000057425095 569434377 /nfs/dbraw/zinc/43/43/77/569434377.db2.gz KGMJLNZNUXMMGD-UHFFFAOYSA-N 0 0 427.473 4.618 50 0 IJAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)ccc1F ZINC000057428659 569434911 /nfs/dbraw/zinc/43/49/11/569434911.db2.gz FZLYFWYQNVBQSJ-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000003007781 569435224 /nfs/dbraw/zinc/43/52/24/569435224.db2.gz YLUGGUBBGSVPFQ-RDJZCZTQSA-N 0 0 432.923 4.888 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1 ZINC000057473437 569435756 /nfs/dbraw/zinc/43/57/56/569435756.db2.gz MSBMMTHLJFTZDR-UHFFFAOYSA-N 0 0 435.574 4.740 50 0 IJAARN CCc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000057486283 569436440 /nfs/dbraw/zinc/43/64/40/569436440.db2.gz IDLOFJOABLVASE-UHFFFAOYSA-N 0 0 445.544 4.933 50 0 IJAARN CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003028594 569436479 /nfs/dbraw/zinc/43/64/79/569436479.db2.gz USTVILWBTJDXKL-UHFFFAOYSA-N 0 0 441.524 4.702 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000057486984 569436586 /nfs/dbraw/zinc/43/65/86/569436586.db2.gz VLNOBQLWOAAPLK-MRXNPFEDSA-N 0 0 448.445 4.895 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1ccccc1 ZINC000057486946 569436602 /nfs/dbraw/zinc/43/66/02/569436602.db2.gz MGNJKALISIULDS-UHFFFAOYSA-N 0 0 428.370 4.742 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1cccc(F)c1 ZINC000057486966 569436613 /nfs/dbraw/zinc/43/66/13/569436613.db2.gz WCBFCPJQTCNOGG-UHFFFAOYSA-N 0 0 446.360 4.882 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000057487322 569436676 /nfs/dbraw/zinc/43/66/76/569436676.db2.gz FAESNCCFAAMHQP-OAHLLOKOSA-N 0 0 436.899 4.745 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCc1cccc(Cl)c1 ZINC000057487331 569436690 /nfs/dbraw/zinc/43/66/90/569436690.db2.gz UEVZTWUWPUPJIF-UHFFFAOYSA-N 0 0 427.291 4.828 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c1 ZINC000057487542 569436799 /nfs/dbraw/zinc/43/67/99/569436799.db2.gz QPEVBIGYOHLOHR-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)Nc1ccc(F)cc1 ZINC000057487793 569436845 /nfs/dbraw/zinc/43/68/45/569436845.db2.gz GJYHFXMDHPMQKK-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)c1 ZINC000057488234 569436955 /nfs/dbraw/zinc/43/69/55/569436955.db2.gz NYQZEDCBNGZGHE-INIZCTEOSA-N 0 0 427.595 4.557 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)cc1C ZINC000057488504 569436960 /nfs/dbraw/zinc/43/69/60/569436960.db2.gz ZASSCLYRHHQXSI-KRWDZBQOSA-N 0 0 441.622 4.947 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000057488524 569436961 /nfs/dbraw/zinc/43/69/61/569436961.db2.gz RGPXMIRIZGFYAY-HOTGVXAUSA-N 0 0 441.622 4.661 50 0 IJAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)N(C)c1ccccc1 ZINC000057488854 569436988 /nfs/dbraw/zinc/43/69/88/569436988.db2.gz DJWCCMOYSJIIMW-UHFFFAOYSA-N 0 0 439.537 4.650 50 0 IJAARN CC[C@H](Sc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1)C(=O)N(CC)CC ZINC000003038592 569437967 /nfs/dbraw/zinc/43/79/67/569437967.db2.gz XMNOHURZDUNCSE-IBGZPJMESA-N 0 0 446.020 4.724 50 0 IJAARN COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2CCC2=CCCCC2)cc1 ZINC000003039772 569438038 /nfs/dbraw/zinc/43/80/38/569438038.db2.gz CBAHELBTOFPUFG-SANMLTNESA-N 0 0 432.564 4.540 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2ccc(Cl)cc2)c3C)cc1 ZINC000003045255 569438645 /nfs/dbraw/zinc/43/86/45/569438645.db2.gz WNJGQURGJGKDGK-UHFFFAOYSA-N 0 0 434.927 4.529 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](C)C2=O)cc1Cl ZINC000003049827 569438947 /nfs/dbraw/zinc/43/89/47/569438947.db2.gz WTIIXVAJGVXQOG-KRWDZBQOSA-N 0 0 431.923 4.860 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000003056918 569439423 /nfs/dbraw/zinc/43/94/23/569439423.db2.gz MMVWXRFWMPJJGK-KRWDZBQOSA-N 0 0 445.968 4.799 50 0 IJAARN O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCCc1ccc(Cl)cc1 ZINC000003063301 569439663 /nfs/dbraw/zinc/43/96/63/569439663.db2.gz DRQQJSSHLSIOEP-UHFFFAOYSA-N 0 0 441.358 4.670 50 0 IJAARN CCOC(=O)c1c(Cl)nc2c(Br)cc(N)c3c2c1-c1ccccc1C3=O ZINC000003082537 569439926 /nfs/dbraw/zinc/43/99/26/569439926.db2.gz RUICOZBJYZKEDE-UHFFFAOYSA-N 0 0 431.673 4.621 50 0 IJAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000057713344 569441074 /nfs/dbraw/zinc/44/10/74/569441074.db2.gz IDTRETYEYJRGPY-IFXJQAMLSA-N 0 0 437.883 4.840 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 ZINC000003234287 569442333 /nfs/dbraw/zinc/44/23/33/569442333.db2.gz NKOBZEDYSUHASU-UHFFFAOYSA-N 0 0 432.505 4.555 50 0 IJAARN C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000003235275 569442398 /nfs/dbraw/zinc/44/23/98/569442398.db2.gz FENDZLQEGSPOHH-ZDUSSCGKSA-N 0 0 444.375 4.711 50 0 IJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000003250119 569442875 /nfs/dbraw/zinc/44/28/75/569442875.db2.gz CTSZFCKQFUKGSJ-UHFFFAOYSA-N 0 0 436.078 4.693 50 0 IJAARN COC(=O)c1ccc(CN(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 ZINC000030514351 569443101 /nfs/dbraw/zinc/44/31/01/569443101.db2.gz GEPPFLZNBONODZ-UHFFFAOYSA-N 0 0 430.342 4.706 50 0 IJAARN COc1ccc2cc(-c3cc(C(=O)OCC(=O)NCC(C)C)c4ccccc4n3)ccc2c1 ZINC000003260150 569443206 /nfs/dbraw/zinc/44/32/06/569443206.db2.gz UIEZTTPGTNEVFC-UHFFFAOYSA-N 0 0 442.515 4.993 50 0 IJAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)c1Cl ZINC000003261418 569443270 /nfs/dbraw/zinc/44/32/70/569443270.db2.gz HFXNAIZVEZQXIR-NSHDSACASA-N 0 0 440.714 4.751 50 0 IJAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003272507 569443559 /nfs/dbraw/zinc/44/35/59/569443559.db2.gz SLBYNQOEQWFUFD-UHFFFAOYSA-N 0 0 446.528 4.990 50 0 IJAARN CCc1cccc2c(C(=O)COC(=O)c3cccc(OCc4c(C)noc4C)c3)c[nH]c21 ZINC000003278759 569443810 /nfs/dbraw/zinc/44/38/10/569443810.db2.gz MGTNFVKZFPGWCG-UHFFFAOYSA-N 0 0 432.476 4.954 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003288332 569444180 /nfs/dbraw/zinc/44/41/80/569444180.db2.gz RKUGADAEYONZAO-UHFFFAOYSA-N 0 0 444.837 4.746 50 0 IJAARN NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000003291841 569444497 /nfs/dbraw/zinc/44/44/97/569444497.db2.gz JHYVLAVQIBKHSL-UHFFFAOYSA-N 0 0 436.924 4.957 50 0 IJAARN COc1ccc2c(CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc(=O)oc2c1 ZINC000003297547 569444881 /nfs/dbraw/zinc/44/48/81/569444881.db2.gz RIVPSHOAASOISK-UHFFFAOYSA-N 0 0 445.500 4.994 50 0 IJAARN CCOC(=O)c1c(NC(=O)CSc2cccc[n+]2[O-])sc(Cl)c1-c1ccccc1 ZINC000003299508 569444917 /nfs/dbraw/zinc/44/49/17/569444917.db2.gz QSMITSNAHYEEJS-UHFFFAOYSA-N 0 0 448.953 4.609 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003302877 569445157 /nfs/dbraw/zinc/44/51/57/569445157.db2.gz SGDGSJMPBGNRRW-UHFFFAOYSA-N 0 0 449.331 4.802 50 0 IJAARN Cn1c2ccccc2c(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c1-c1ccccc1 ZINC000003336912 569446663 /nfs/dbraw/zinc/44/66/63/569446663.db2.gz JLLVNYKSKJBXIE-UHFFFAOYSA-N 0 0 436.467 4.727 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1nc2ccccc2s1 ZINC000003340351 569446794 /nfs/dbraw/zinc/44/67/94/569446794.db2.gz WLMYCLOOOFQVSR-MDZDMXLPSA-N 0 0 433.455 4.604 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000003341821 569446955 /nfs/dbraw/zinc/44/69/55/569446955.db2.gz QVVDXGLUWIOMDO-QFIPXVFZSA-N 0 0 441.560 4.615 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCCCC1 ZINC000003352414 569447417 /nfs/dbraw/zinc/44/74/17/569447417.db2.gz BUDWWMGZLZMSQB-UHFFFAOYSA-N 0 0 440.565 4.989 50 0 IJAARN COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000003355894 569447642 /nfs/dbraw/zinc/44/76/42/569447642.db2.gz JUMBTGZXWGTBIH-OAQYLSRUSA-N 0 0 444.369 4.940 50 0 IJAARN COc1ccccc1NC(=O)C(=Cc1c(F)cccc1F)C(=O)Nc1ccccc1OC ZINC000003358792 569447762 /nfs/dbraw/zinc/44/77/62/569447762.db2.gz KBYKDSMWHJEXNW-UHFFFAOYSA-N 0 0 438.430 4.643 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003365530 569448163 /nfs/dbraw/zinc/44/81/63/569448163.db2.gz PUHNMRGWSYJRIN-UHFFFAOYSA-N 0 0 443.528 4.885 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(=O)NC3=NCCS3)c12 ZINC000003369792 569448301 /nfs/dbraw/zinc/44/83/01/569448301.db2.gz DHEMTEUGCPDADC-UHFFFAOYSA-N 0 0 427.533 4.537 50 0 IJAARN COc1ccccc1OCCNc1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC000003378116 569448667 /nfs/dbraw/zinc/44/86/67/569448667.db2.gz JSHXPSDSKRIGLC-UHFFFAOYSA-N 0 0 438.597 4.665 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1 ZINC000003389067 569449059 /nfs/dbraw/zinc/44/90/59/569449059.db2.gz SCETVWNZWLPDDK-UHFFFAOYSA-N 0 0 425.901 4.615 50 0 IJAARN COc1cc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc2cc1OC ZINC000058161647 569449232 /nfs/dbraw/zinc/44/92/32/569449232.db2.gz GXFQXAJMOYRZFV-KRWDZBQOSA-N 0 0 427.888 4.832 50 0 IJAARN CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000003415571 569450236 /nfs/dbraw/zinc/45/02/36/569450236.db2.gz HKRRJVJAKQUQBM-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000003426190 569450515 /nfs/dbraw/zinc/45/05/15/569450515.db2.gz HZEYJVMKGGQBFY-UHFFFAOYSA-N 0 0 426.321 4.584 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2-c2ccc(C)cc2)c1 ZINC000003427152 569450617 /nfs/dbraw/zinc/45/06/17/569450617.db2.gz KAIYPNLMMWXPHH-UHFFFAOYSA-N 0 0 438.597 4.989 50 0 IJAARN COc1ccccc1N1CCN([C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000058219020 569450778 /nfs/dbraw/zinc/45/07/78/569450778.db2.gz NUROPUBNQFFNFO-CYBMUJFWSA-N 0 0 442.774 4.805 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C2CCCCC2)cc1 ZINC000003433430 569450965 /nfs/dbraw/zinc/45/09/65/569450965.db2.gz YLOQDRWVNLPNJV-UHFFFAOYSA-N 0 0 442.629 4.699 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)s2)cc1C ZINC000003445134 569451345 /nfs/dbraw/zinc/45/13/45/569451345.db2.gz HHXRGPQUQUZLJN-AWEZNQCLSA-N 0 0 442.566 4.789 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2cc(C)ccc2C)nc2ccccc2c1=O ZINC000003448847 569451546 /nfs/dbraw/zinc/45/15/46/569451546.db2.gz KTHYHDPLAUWJOE-UHFFFAOYSA-N 0 0 430.529 4.986 50 0 IJAARN Cc1sc2nc(SCC(=O)N(C(C)C)C(C)C)n(Cc3ccccc3)c(=O)c2c1C ZINC000003466491 569452007 /nfs/dbraw/zinc/45/20/07/569452007.db2.gz YEVHVRSLVZKVON-UHFFFAOYSA-N 0 0 443.638 4.861 50 0 IJAARN COc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000003491956 569452599 /nfs/dbraw/zinc/45/25/99/569452599.db2.gz LIVSDTLIYUTBRY-ZDUSSCGKSA-N 0 0 444.988 4.860 50 0 IJAARN Cc1ccc(C)c(-n2c(S[C@@H]3CCOC3=O)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000003505127 569452931 /nfs/dbraw/zinc/45/29/31/569452931.db2.gz PYDMFPVHDFNMSJ-SUMWQHHRSA-N 0 0 440.590 4.596 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(Br)s1 ZINC000003537502 569453573 /nfs/dbraw/zinc/45/35/73/569453573.db2.gz GYXAJCRHZMQYLK-UHFFFAOYSA-N 0 0 431.340 4.615 50 0 IJAARN CC(C)[C@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000003549014 569453728 /nfs/dbraw/zinc/45/37/28/569453728.db2.gz ADTYKMUQYRJKEH-AWEZNQCLSA-N 0 0 433.643 4.705 50 0 IJAARN O=C(c1cc(Br)c(Br)s1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000031176473 569454358 /nfs/dbraw/zinc/45/43/58/569454358.db2.gz JIIDGNUJJFHNRB-LBPRGKRZSA-N 0 0 449.139 4.626 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000058444966 569454847 /nfs/dbraw/zinc/45/48/47/569454847.db2.gz HTETXOYEFIIAOP-UHFFFAOYSA-N 0 0 430.002 4.822 50 0 IJAARN CCOc1ccc(Cc2nnc(SCc3ccc(OC)c(Br)c3)n2C)cc1 ZINC000003641736 569455571 /nfs/dbraw/zinc/45/55/71/569455571.db2.gz QXHRRRDGBFENRE-UHFFFAOYSA-N 0 0 448.386 4.868 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000031705356 569457058 /nfs/dbraw/zinc/45/70/58/569457058.db2.gz DWIFWGHLEDDHPK-UHFFFAOYSA-N 0 0 446.532 4.684 50 0 IJAARN CN(Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000031732563 569457094 /nfs/dbraw/zinc/45/70/94/569457094.db2.gz VYESNISYGWDOAT-UHFFFAOYSA-N 0 0 440.366 4.977 50 0 IJAARN O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000031829611 569458097 /nfs/dbraw/zinc/45/80/97/569458097.db2.gz WUKFKUYQNDHWIO-QGOAFFKASA-N 0 0 444.288 4.641 50 0 IJAARN CC(C)C[C@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1)c1cccnc1 ZINC000670455627 569458128 /nfs/dbraw/zinc/45/81/28/569458128.db2.gz HFJOMTHLRNMQPU-QFIPXVFZSA-N 0 0 428.598 4.591 50 0 IJAARN CCCCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004082833 569458702 /nfs/dbraw/zinc/45/87/02/569458702.db2.gz IVETUHWCHAECJQ-ZBLYBZFDSA-N 0 0 429.564 4.698 50 0 biogenic IJAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OC(C)C ZINC000032087757 569459487 /nfs/dbraw/zinc/45/94/87/569459487.db2.gz HHRDBIGSYPCVCQ-CQSZACIVSA-N 0 0 427.892 4.544 50 0 IJAARN CC[C@@]1(C)Cc2nc3sc4c(ncn(Cc5ccccc5Cl)c4=O)c3cc2CO1 ZINC000032092604 569459664 /nfs/dbraw/zinc/45/96/64/569459664.db2.gz DLROAHXRVXHGRX-QFIPXVFZSA-N 0 0 425.941 4.949 50 0 IJAARN COc1cc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc(OC)c1 ZINC000032093262 569459682 /nfs/dbraw/zinc/45/96/82/569459682.db2.gz FHWASPCUPHZCBN-SFHVURJKSA-N 0 0 440.887 4.701 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(F)cc4)nn32)cc1Cl ZINC000032092816 569459691 /nfs/dbraw/zinc/45/96/91/569459691.db2.gz WWFMIDHKNIIGKH-INIZCTEOSA-N 0 0 428.851 4.831 50 0 IJAARN CSc1cc(-c2ccccc2)c2c(n1)nc(SCC(=O)Nc1ccccc1)[nH]c2=O ZINC000032093538 569459706 /nfs/dbraw/zinc/45/97/06/569459706.db2.gz QHUALGMOZGKPIU-UHFFFAOYSA-N 0 0 434.546 4.850 50 0 IJAARN CN1c2cccc(Cl)c2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(C(F)(F)F)cc2)C1=O ZINC000032093813 569459752 /nfs/dbraw/zinc/45/97/52/569459752.db2.gz HSTLWJGSFXGNQM-HXUWFJFHSA-N 0 0 446.816 4.799 50 0 IJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1 ZINC000032094976 569459834 /nfs/dbraw/zinc/45/98/34/569459834.db2.gz RRFSKSZUQASPAW-INIZCTEOSA-N 0 0 443.276 4.932 50 0 IJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032101750 569460054 /nfs/dbraw/zinc/46/00/54/569460054.db2.gz KCLNQULTKRBEPS-DEOSSOPVSA-N 0 0 434.927 4.865 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000004123131 569460098 /nfs/dbraw/zinc/46/00/98/569460098.db2.gz FGXHBZUULJWVPA-NDEPHWFRSA-N 0 0 436.511 4.793 50 0 IJAARN CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CCc1ccccc1 ZINC000032101957 569460105 /nfs/dbraw/zinc/46/01/05/569460105.db2.gz BNBGBLVKXVRNMM-UHFFFAOYSA-N 0 0 428.561 4.810 50 0 IJAARN COc1cc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc(OC)c1 ZINC000032104531 569460181 /nfs/dbraw/zinc/46/01/81/569460181.db2.gz BZMIXMWBMZYICR-GOSISDBHSA-N 0 0 440.887 4.701 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C12CCCC2 ZINC000032105706 569460251 /nfs/dbraw/zinc/46/02/51/569460251.db2.gz RSXUWSWPXIWUGS-HXUWFJFHSA-N 0 0 446.469 4.843 50 0 IJAARN COC(=O)c1ccc(CSc2ncc(CO)n2Cc2ccccc2C(F)(F)F)cc1 ZINC000004157739 569460534 /nfs/dbraw/zinc/46/05/34/569460534.db2.gz AYFDMDWWBRAMFW-UHFFFAOYSA-N 0 0 436.455 4.521 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccc(F)cc2)c1)c1ccccc1 ZINC000004184736 569460747 /nfs/dbraw/zinc/46/07/47/569460747.db2.gz QGRKQCWZAVZGHV-QFIPXVFZSA-N 0 0 433.527 4.954 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(N(C)C)c(C(=O)NCc2ccc(F)cc2)c1)c1ccccc1 ZINC000004184739 569460770 /nfs/dbraw/zinc/46/07/70/569460770.db2.gz QGRKQCWZAVZGHV-JOCHJYFZSA-N 0 0 433.527 4.954 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000004211485 569460977 /nfs/dbraw/zinc/46/09/77/569460977.db2.gz XQLBOHKFHLEEST-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000004211124 569461005 /nfs/dbraw/zinc/46/10/05/569461005.db2.gz WYCCYSWREGSPNW-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN O=C(Nc1ccccc1Br)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000004239445 569461156 /nfs/dbraw/zinc/46/11/56/569461156.db2.gz IHAPMXHWVXOWPH-UHFFFAOYSA-N 0 0 427.302 4.911 50 0 IJAARN O=C(c1cncc(Br)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032480092 569461887 /nfs/dbraw/zinc/46/18/87/569461887.db2.gz PBPGFDLUMBUXFZ-UHFFFAOYSA-N 0 0 431.311 4.524 50 0 IJAARN Cc1ccc2[nH]c(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2c1 ZINC000008065747 569462163 /nfs/dbraw/zinc/46/21/63/569462163.db2.gz JGJDCXCGUUQIBL-QFIPXVFZSA-N 0 0 425.554 4.638 50 0 IJAARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=NNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C2 ZINC000008397206 569463251 /nfs/dbraw/zinc/46/32/51/569463251.db2.gz UPSKUISTSNBUTG-UHFFFAOYSA-N 0 0 434.456 4.786 50 0 IJAARN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546032 569463423 /nfs/dbraw/zinc/46/34/23/569463423.db2.gz BOASAQRDQITAIJ-OAQYLSRUSA-N 0 0 426.538 4.586 50 0 IJAARN CN1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546487 569463596 /nfs/dbraw/zinc/46/35/96/569463596.db2.gz KRLWRPKOZPLEFE-HSZRJFAPSA-N 0 0 435.593 4.809 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)Cc4ccccc4)n3)c2)cs1 ZINC000038575678 569464053 /nfs/dbraw/zinc/46/40/53/569464053.db2.gz FKJHFDRDCJVUIH-UHFFFAOYSA-N 0 0 448.573 4.937 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 ZINC000067209290 569464809 /nfs/dbraw/zinc/46/48/09/569464809.db2.gz JRPGTYQJUFHUEA-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)Nc1cc(F)ccc1F ZINC000067245997 569465953 /nfs/dbraw/zinc/46/59/53/569465953.db2.gz GORQFYZILKTNBU-UHFFFAOYSA-N 0 0 431.851 4.695 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000067257569 569466106 /nfs/dbraw/zinc/46/61/06/569466106.db2.gz DZZUBGXZMQLGJL-UHFFFAOYSA-N 0 0 429.929 4.853 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3cc(F)cc(F)c3)ncc2S1(=O)=O ZINC000067260115 569466295 /nfs/dbraw/zinc/46/62/95/569466295.db2.gz GPFBNQNDSGETJP-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc3c(c2)OCO3)cc1 ZINC000067259629 569466265 /nfs/dbraw/zinc/46/62/65/569466265.db2.gz KFGSUEBBQBMERD-UHFFFAOYSA-N 0 0 432.501 4.805 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067289935 569467531 /nfs/dbraw/zinc/46/75/31/569467531.db2.gz YNEFRAWIXTZQSQ-UHFFFAOYSA-N 0 0 446.532 4.531 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4OC)nccn3n2)cc1 ZINC000067290519 569467592 /nfs/dbraw/zinc/46/75/92/569467592.db2.gz WKCXTZUYGJKZKQ-UHFFFAOYSA-N 0 0 448.548 4.843 50 0 IJAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292200 569467755 /nfs/dbraw/zinc/46/77/55/569467755.db2.gz GEVDZOIUBGMAJP-FGGSVNHKSA-N 0 0 441.325 4.645 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067294167 569467872 /nfs/dbraw/zinc/46/78/72/569467872.db2.gz JPHOVGARTQANMY-LTHSRMNQSA-N 0 0 426.900 4.544 50 0 IJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067299303 569468177 /nfs/dbraw/zinc/46/81/77/569468177.db2.gz IPFXZMYJXMEFPU-MEFGMAGPSA-N 0 0 444.365 4.792 50 0 IJAARN CSc1nc2cc(C)n(CC(=O)Nc3ccccc3C(C)C)c2c(=O)n1CC(C)C ZINC000067320107 569468634 /nfs/dbraw/zinc/46/86/34/569468634.db2.gz DEWJLYHFLOPVGN-UHFFFAOYSA-N 0 0 426.586 4.646 50 0 IJAARN CCCOc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000067323946 569468803 /nfs/dbraw/zinc/46/88/03/569468803.db2.gz FCZIUUXUDOVELF-UHFFFAOYSA-N 0 0 446.551 4.978 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1sccc1NC(=O)c1cnccn1 ZINC000067336047 569468890 /nfs/dbraw/zinc/46/88/90/569468890.db2.gz WSRSFABNNKYQGX-UHFFFAOYSA-N 0 0 426.807 4.715 50 0 IJAARN COc1ccc(NC(=O)N2CCN(c3nc4c(s3)c(Cl)ccc4C)CC2)cc1OC ZINC000038934746 569469594 /nfs/dbraw/zinc/46/95/94/569469594.db2.gz JGCISIGMVOJDED-UHFFFAOYSA-N 0 0 446.960 4.629 50 0 IJAARN Brc1cc2c(cc1CSc1nnc(C3CC3)n1Cc1ccccc1)OCO2 ZINC000008704027 569470284 /nfs/dbraw/zinc/47/02/84/569470284.db2.gz QTABQYPZVINKKV-UHFFFAOYSA-N 0 0 444.354 4.987 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CNc3ccc(Br)cc3)[C@@H](c3ccco3)C2)o1 ZINC000008706058 569470495 /nfs/dbraw/zinc/47/04/95/569470495.db2.gz QEWITMMWHAPAQW-QGZVFWFLSA-N 0 0 428.286 4.733 50 0 IJAARN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000008707552 569470645 /nfs/dbraw/zinc/47/06/45/569470645.db2.gz VPJBQZFJYFWFPR-SFHVURJKSA-N 0 0 446.580 4.546 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008708150 569470655 /nfs/dbraw/zinc/47/06/55/569470655.db2.gz GOMBRJZYXJVIAP-ZDUSSCGKSA-N 0 0 433.986 4.906 50 0 IJAARN Cc1ccccc1-c1noc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)n1 ZINC000008710819 569470960 /nfs/dbraw/zinc/47/09/60/569470960.db2.gz UGRRJBDHTHOSSS-UHFFFAOYSA-N 0 0 432.553 4.908 50 0 IJAARN C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008716099 569471060 /nfs/dbraw/zinc/47/10/60/569471060.db2.gz QFXYYLLMNJOADX-JKSUJKDBSA-N 0 0 446.528 4.970 50 0 IJAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 ZINC000008722327 569471791 /nfs/dbraw/zinc/47/17/91/569471791.db2.gz XAEPHGUQAHDLDA-JTGMDOEWSA-N 0 0 434.517 4.939 50 0 IJAARN O=S(=O)(c1ccc(SCc2csc(-c3ccccc3)n2)nc1)N1CCCCC1 ZINC000008724629 569472034 /nfs/dbraw/zinc/47/20/34/569472034.db2.gz GIGNNRAHXPHXEZ-UHFFFAOYSA-N 0 0 431.608 4.672 50 0 IJAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000008726231 569472287 /nfs/dbraw/zinc/47/22/87/569472287.db2.gz RFJMBMNKQUOWGG-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccc2c(c1)OCO2)occ3C(C)(C)C ZINC000008751970 569473481 /nfs/dbraw/zinc/47/34/81/569473481.db2.gz ZZJIGOLMKDKQTF-UHFFFAOYSA-N 0 0 447.487 4.733 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C(=O)NC3CC3)c3ccccc3)nc(=O)c12 ZINC000008753538 569473770 /nfs/dbraw/zinc/47/37/70/569473770.db2.gz MWRSOGFECPCTJZ-DJJJIMSYSA-N 0 0 441.622 4.994 50 0 IJAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 ZINC000008754675 569473878 /nfs/dbraw/zinc/47/38/78/569473878.db2.gz VKVISSSFUDHURG-IBGZPJMESA-N 0 0 432.568 4.592 50 0 IJAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(=O)oc1c2C ZINC000008764811 569474668 /nfs/dbraw/zinc/47/46/68/569474668.db2.gz SXYXXWDLMUVXPK-UHFFFAOYSA-N 0 0 429.428 4.752 50 0 biogenic IJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)cc1OC ZINC000008791459 569476229 /nfs/dbraw/zinc/47/62/29/569476229.db2.gz XLWYJLAGSILCOZ-UHFFFAOYSA-N 0 0 447.487 4.925 50 0 biogenic IJAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCc4ccccn4)c(=O)oc12)CCCC3 ZINC000008792030 569476319 /nfs/dbraw/zinc/47/63/19/569476319.db2.gz WQQOKKNZPBYREY-UHFFFAOYSA-N 0 0 430.504 4.679 50 0 biogenic IJAARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCN(C(C)C)C2 ZINC000008793086 569476352 /nfs/dbraw/zinc/47/63/52/569476352.db2.gz KXESKPWYYDQEGL-UHFFFAOYSA-N 0 0 427.353 4.860 50 0 IJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc2c(c1)NC(=O)CO2 ZINC000008824442 569477176 /nfs/dbraw/zinc/47/71/76/569477176.db2.gz PJWJAOPSEMZTOC-UHFFFAOYSA-N 0 0 433.514 4.664 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O ZINC000008828146 569477759 /nfs/dbraw/zinc/47/77/59/569477759.db2.gz HLBAQZZFKPLVCV-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CSc1nc2n(n1)[C@H](c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008843520 569478496 /nfs/dbraw/zinc/47/84/96/569478496.db2.gz YCFFHJBCQZGSLE-QGZVFWFLSA-N 0 0 445.470 4.946 50 0 IJAARN CCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845716 569478915 /nfs/dbraw/zinc/47/89/15/569478915.db2.gz WZYZAVOCOFEUAZ-RUZDIDTESA-N 0 0 440.503 4.630 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008852993 569479547 /nfs/dbraw/zinc/47/95/47/569479547.db2.gz LNRWDLWNQVYNAH-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000008870351 569480523 /nfs/dbraw/zinc/48/05/23/569480523.db2.gz YBMPJAXQGDIAPL-UHFFFAOYSA-N 0 0 431.510 4.816 50 0 IJAARN CCn1c(SCC(=O)c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000008876622 569481129 /nfs/dbraw/zinc/48/11/29/569481129.db2.gz AEIKAEJWVKLGTJ-UHFFFAOYSA-N 0 0 447.944 4.619 50 0 IJAARN O=C(NCCc1cccc2cccnc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000039548094 569481711 /nfs/dbraw/zinc/48/17/11/569481711.db2.gz ORJAQYPBQYUFGU-UHFFFAOYSA-N 0 0 443.572 4.772 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC000039844000 569481859 /nfs/dbraw/zinc/48/18/59/569481859.db2.gz KTXZKTCXQLQXIK-HOTGVXAUSA-N 0 0 446.956 4.750 50 0 IJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000039930563 569481997 /nfs/dbraw/zinc/48/19/97/569481997.db2.gz IPQSATWRUGBQTN-MHZLTWQESA-N 0 0 440.547 4.760 50 0 IJAARN CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000039930562 569482017 /nfs/dbraw/zinc/48/20/17/569482017.db2.gz IPQSATWRUGBQTN-HHHXNRCGSA-N 0 0 440.547 4.760 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)S[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000040018161 569482623 /nfs/dbraw/zinc/48/26/23/569482623.db2.gz UHKQLUGNULTMOV-ZIAGYGMSSA-N 0 0 442.976 4.981 50 0 IJAARN Cc1[nH]c(=S)sc1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000040040451 569483441 /nfs/dbraw/zinc/48/34/41/569483441.db2.gz IEECDGYOFIDODB-OAHLLOKOSA-N 0 0 425.579 4.755 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008893367 569483560 /nfs/dbraw/zinc/48/35/60/569483560.db2.gz RGAGZEQQEPWKRY-DLBZAZTESA-N 0 0 433.577 4.970 50 0 IJAARN CC[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)C1=O ZINC000008899677 569484100 /nfs/dbraw/zinc/48/41/00/569484100.db2.gz SWHIQRPXIIRYRA-MHZLTWQESA-N 0 0 443.547 4.646 50 0 IJAARN Cc1noc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000040050210 569484138 /nfs/dbraw/zinc/48/41/38/569484138.db2.gz LAAGZFORGWEARU-UHFFFAOYSA-N 0 0 438.531 4.592 50 0 IJAARN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000040051000 569484329 /nfs/dbraw/zinc/48/43/29/569484329.db2.gz HFGFFLVNARPKFW-WMZOPIPTSA-N 0 0 439.606 4.759 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2Cl)cc1 ZINC000008912194 569484962 /nfs/dbraw/zinc/48/49/62/569484962.db2.gz GEUQSGQWILHPGZ-UHFFFAOYSA-N 0 0 430.957 4.766 50 0 IJAARN CCc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(OC)cc2)cc1 ZINC000008913151 569485246 /nfs/dbraw/zinc/48/52/46/569485246.db2.gz NRVJUAWYDPZBTG-UHFFFAOYSA-N 0 0 432.549 4.933 50 0 IJAARN C[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000008914103 569485458 /nfs/dbraw/zinc/48/54/58/569485458.db2.gz NEJBPWSVNSBHDJ-MBBDBFLNSA-N 0 0 436.596 4.954 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008916726 569485797 /nfs/dbraw/zinc/48/57/97/569485797.db2.gz GWROEKVCNDFEJD-UHFFFAOYSA-N 0 0 431.876 4.600 50 0 IJAARN Cc1cc(C)c2c(c1)oc1c(c2=O)[C@@H](c2cccc(Oc3ccccc3)c2)N(CCO)C1=O ZINC000008917314 569485977 /nfs/dbraw/zinc/48/59/77/569485977.db2.gz BXFVZQQBXQFDBJ-XMMPIXPASA-N 0 0 441.483 4.740 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008917676 569486080 /nfs/dbraw/zinc/48/60/80/569486080.db2.gz GLTWOUIGBPGJDX-HNNXBMFYSA-N 0 0 437.945 4.523 50 0 IJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2c(OC)ccc4ccccc42)N3)C1 ZINC000008921416 569486833 /nfs/dbraw/zinc/48/68/33/569486833.db2.gz IVTARLNUXIQKSA-FQEVSTJZSA-N 0 0 437.521 4.853 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)o1 ZINC000008922962 569486994 /nfs/dbraw/zinc/48/69/94/569486994.db2.gz RXPKYAKTJXRVIQ-JOCHJYFZSA-N 0 0 430.287 4.902 50 0 IJAARN COc1ccc(OC)c(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932854 569487723 /nfs/dbraw/zinc/48/77/23/569487723.db2.gz MHELEXAZWYAIMW-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccc(F)cc3)n2N)c2ccccc2)c1 ZINC000008938436 569488198 /nfs/dbraw/zinc/48/81/98/569488198.db2.gz BKLKTQLVZIXBLY-NRFANRHFSA-N 0 0 447.539 4.887 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000040119042 569489358 /nfs/dbraw/zinc/48/93/58/569489358.db2.gz RTIHLRKLQPRJOX-UHFFFAOYSA-N 0 0 428.897 4.986 50 0 IJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccnc1N1CCCCC1 ZINC000040128999 569489805 /nfs/dbraw/zinc/48/98/05/569489805.db2.gz JYENMHBJCPDBAD-UHFFFAOYSA-N 0 0 429.546 4.607 50 0 IJAARN O=C(NCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1)c1cccs1 ZINC000040130548 569490272 /nfs/dbraw/zinc/49/02/72/569490272.db2.gz FXAVBFJLIQFQAT-HSZRJFAPSA-N 0 0 427.529 4.593 50 0 IJAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000008959257 569490302 /nfs/dbraw/zinc/49/03/02/569490302.db2.gz RCZVKESWLZZSND-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN CC(C)CCN1c2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2OCC(C)(C)C1=O ZINC000008959964 569490356 /nfs/dbraw/zinc/49/03/56/569490356.db2.gz ZGBLMGAXTOODEM-UHFFFAOYSA-N 0 0 448.519 4.843 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1F ZINC000008961339 569490950 /nfs/dbraw/zinc/49/09/50/569490950.db2.gz HKCZQUHAUFFGPH-UHFFFAOYSA-N 0 0 442.468 4.692 50 0 IJAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961335 569490972 /nfs/dbraw/zinc/49/09/72/569490972.db2.gz PPMMUEUIIDXWPZ-UHFFFAOYSA-N 0 0 438.505 4.943 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)ccc1F ZINC000008961407 569491054 /nfs/dbraw/zinc/49/10/54/569491054.db2.gz FCLUEIRTAUUWQM-UHFFFAOYSA-N 0 0 432.860 4.946 50 0 IJAARN COc1cc(C(=O)Nc2cccc3ncccc32)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008965778 569491540 /nfs/dbraw/zinc/49/15/40/569491540.db2.gz APQLBLWOVDEVNL-UHFFFAOYSA-N 0 0 445.450 4.652 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCCc1ccc(F)cc1 ZINC000008965806 569491545 /nfs/dbraw/zinc/49/15/45/569491545.db2.gz JLJSXSOILVOYKS-UHFFFAOYSA-N 0 0 428.533 4.633 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c1C ZINC000008966069 569491664 /nfs/dbraw/zinc/49/16/64/569491664.db2.gz KPUKTMBEJVVNSO-ZDUSSCGKSA-N 0 0 445.610 4.963 50 0 IJAARN COc1ccc2c(C)c(CC(=O)NCC(c3ccccc3)c3ccccc3)c(=O)oc2c1 ZINC000008972190 569492829 /nfs/dbraw/zinc/49/28/29/569492829.db2.gz NLPJIMWFWCIRAV-UHFFFAOYSA-N 0 0 427.500 4.601 50 0 IJAARN O=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008980335 569493112 /nfs/dbraw/zinc/49/31/12/569493112.db2.gz SQFXRUHYMSUZMB-UHFFFAOYSA-N 0 0 428.558 4.521 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000040150178 569493161 /nfs/dbraw/zinc/49/31/61/569493161.db2.gz ZFVAZTPPJVJIJH-UHFFFAOYSA-N 0 0 433.552 4.540 50 0 IJAARN Cc1nccn1-c1ccc(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cn1 ZINC000040156081 569494015 /nfs/dbraw/zinc/49/40/15/569494015.db2.gz LWNCUFCFPAWSLF-UHFFFAOYSA-N 0 0 432.911 4.738 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000008986923 569494794 /nfs/dbraw/zinc/49/47/94/569494794.db2.gz APOUABQFZBKEAV-UHFFFAOYSA-N 0 0 446.322 4.897 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)n2C(C)C)cc1 ZINC000008989693 569494971 /nfs/dbraw/zinc/49/49/71/569494971.db2.gz SYTJISHMMPEEMH-KRWDZBQOSA-N 0 0 436.581 4.600 50 0 IJAARN CCCN(Cc1ccccc1)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000040160491 569495123 /nfs/dbraw/zinc/49/51/23/569495123.db2.gz ULUBFQVGCDDADG-UHFFFAOYSA-N 0 0 441.622 4.535 50 0 IJAARN CCOCCn1c2ccccc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008997879 569495976 /nfs/dbraw/zinc/49/59/76/569495976.db2.gz KQTWGUWORBZSEU-QPLCGJKRSA-N 0 0 430.529 4.711 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000009037717 569497371 /nfs/dbraw/zinc/49/73/71/569497371.db2.gz QPMQTABFUGAZJK-UHFFFAOYSA-N 0 0 435.911 4.850 50 0 IJAARN O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc([C@@H]2CCCO2)s1 ZINC000040287860 569498387 /nfs/dbraw/zinc/49/83/87/569498387.db2.gz RWDSTFMRYFMNNT-FQEVSTJZSA-N 0 0 434.521 4.562 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)Oc3ccccc3F)o2)c1 ZINC000009050428 569498599 /nfs/dbraw/zinc/49/85/99/569498599.db2.gz XZVHXUYGFYQDID-ZIAGYGMSSA-N 0 0 429.473 4.671 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)c(OC)c3)o2)cc1 ZINC000009056341 569499025 /nfs/dbraw/zinc/49/90/25/569499025.db2.gz FJEXIKAANDSMLI-UHFFFAOYSA-N 0 0 427.526 4.575 50 0 IJAARN C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009056726 569499077 /nfs/dbraw/zinc/49/90/77/569499077.db2.gz NLUXEPAXRRLUMX-OAHLLOKOSA-N 0 0 431.517 4.809 50 0 IJAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccco2)cc1OC ZINC000040337561 569499449 /nfs/dbraw/zinc/49/94/49/569499449.db2.gz ICKKCSVHPKFOBD-XMMPIXPASA-N 0 0 429.476 4.822 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)o2)cc1 ZINC000009065186 569499705 /nfs/dbraw/zinc/49/97/05/569499705.db2.gz NRJAQTVOJFVTQB-FQEVSTJZSA-N 0 0 437.521 4.602 50 0 IJAARN COc1ccc(CNC(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000040355516 569499780 /nfs/dbraw/zinc/49/97/80/569499780.db2.gz IMXGKLCWWGJESU-UHFFFAOYSA-N 0 0 436.320 4.641 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2)cs1 ZINC000009076675 569500338 /nfs/dbraw/zinc/50/03/38/569500338.db2.gz AEXHXLJWMAVMBW-KRWDZBQOSA-N 0 0 425.941 4.759 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000009100470 569501512 /nfs/dbraw/zinc/50/15/12/569501512.db2.gz WQBCNLKXUOEHNO-UHFFFAOYSA-N 0 0 441.487 4.549 50 0 IJAARN O=C(NC[C@H]1COc2ccccc2C1)c1cccnc1Oc1cccc(Br)c1 ZINC000069348641 569501642 /nfs/dbraw/zinc/50/16/42/569501642.db2.gz QGYIXNOXBATNOF-HNNXBMFYSA-N 0 0 439.309 4.618 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245263538 569501743 /nfs/dbraw/zinc/50/17/43/569501743.db2.gz APDHZTJOKCUNND-NJBDSQKTSA-N 0 0 434.915 4.823 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000009111716 569502355 /nfs/dbraw/zinc/50/23/55/569502355.db2.gz QWPFYFIJHSVAKD-CYBMUJFWSA-N 0 0 448.379 4.739 50 0 IJAARN Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCc2cccc(Br)c2)o1 ZINC000009115495 569502741 /nfs/dbraw/zinc/50/27/41/569502741.db2.gz WASRNQZGRRBZQT-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1cn(CC(=O)N(CC)CC)c2ccccc12 ZINC000009118257 569503259 /nfs/dbraw/zinc/50/32/59/569503259.db2.gz GAADZTHYDRDVGI-UHFFFAOYSA-N 0 0 439.581 4.639 50 0 IJAARN Cc1sc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc(F)c(F)c1 ZINC000009125693 569504706 /nfs/dbraw/zinc/50/47/06/569504706.db2.gz PHCPJSRCSWKMOX-UHFFFAOYSA-N 0 0 436.505 4.508 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cc1 ZINC000009126129 569504817 /nfs/dbraw/zinc/50/48/17/569504817.db2.gz ZPZBCINQOQIRJA-UHFFFAOYSA-N 0 0 429.472 4.533 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3F)ccc2n1-c1ccccc1 ZINC000009126700 569504962 /nfs/dbraw/zinc/50/49/62/569504962.db2.gz RJSKOWPMVVOPQT-UHFFFAOYSA-N 0 0 437.858 4.922 50 0 IJAARN CN(C)c1ccc([C@@H](CNC(=O)COc2cccc(F)c2)c2c[nH]c3ccccc32)cc1 ZINC000009127580 569505210 /nfs/dbraw/zinc/50/52/10/569505210.db2.gz MZOFXPDRDWUBLC-HSZRJFAPSA-N 0 0 431.511 4.700 50 0 IJAARN COc1ccc2c(C)cc(SCc3nc(=O)c4c(C)c(C(C)=O)sc4[nH]3)nc2c1 ZINC000009128396 569505376 /nfs/dbraw/zinc/50/53/76/569505376.db2.gz LAIQLZIQBFLUSN-UHFFFAOYSA-N 0 0 425.535 4.653 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000009128805 569505483 /nfs/dbraw/zinc/50/54/83/569505483.db2.gz LVIYQWAXEJPCTO-HNNXBMFYSA-N 0 0 448.504 4.551 50 0 IJAARN CCC1=CO[C@](CC)([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)CC1 ZINC000245380892 569505577 /nfs/dbraw/zinc/50/55/77/569505577.db2.gz SCQXXMAARAHUFR-KSZLKVKMSA-N 0 0 432.520 4.618 50 0 IJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000009129463 569505711 /nfs/dbraw/zinc/50/57/11/569505711.db2.gz KPAKOEWYFDXPFU-NKFKGCMQSA-N 0 0 427.387 4.703 50 0 IJAARN O=S(=O)(Nc1cccc(Cl)c1)c1cccc(NC(=S)NCc2ccccc2)c1 ZINC000009137156 569507126 /nfs/dbraw/zinc/50/71/26/569507126.db2.gz JYOONLATFFUBHI-UHFFFAOYSA-N 0 0 431.970 4.627 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169379 569509223 /nfs/dbraw/zinc/50/92/23/569509223.db2.gz WKHNGKVFFGWHET-UHFFFAOYSA-N 0 0 430.570 4.594 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000009175759 569509747 /nfs/dbraw/zinc/50/97/47/569509747.db2.gz NYSISGHLYBZQBM-HNAYVOBHSA-N 0 0 441.984 4.826 50 0 IJAARN COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)c1 ZINC000009185026 569510038 /nfs/dbraw/zinc/51/00/38/569510038.db2.gz SANNKNCXTSSFIZ-UHFFFAOYSA-N 0 0 434.536 4.829 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCC2 ZINC000009189639 569510439 /nfs/dbraw/zinc/51/04/39/569510439.db2.gz IQEZOKBLHAWKIA-KRWDZBQOSA-N 0 0 425.945 4.568 50 0 biogenic IJAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1 ZINC000009210484 569511611 /nfs/dbraw/zinc/51/16/11/569511611.db2.gz KFTIHAPYYMWVRP-HSZRJFAPSA-N 0 0 436.471 4.715 50 0 IJAARN COc1ccc(CC(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2OC)cc1 ZINC000009210159 569511627 /nfs/dbraw/zinc/51/16/27/569511627.db2.gz IAPMXLUSDIEBAV-UHFFFAOYSA-N 0 0 442.515 4.630 50 0 IJAARN CCOC(=O)CNC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211817 569511871 /nfs/dbraw/zinc/51/18/71/569511871.db2.gz DFABMMWZXCERLH-UHFFFAOYSA-N 0 0 447.560 4.780 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000009216601 569512125 /nfs/dbraw/zinc/51/21/25/569512125.db2.gz PUMUVDFOUWPVOY-UHFFFAOYSA-N 0 0 427.957 4.832 50 0 IJAARN O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000009216227 569512139 /nfs/dbraw/zinc/51/21/39/569512139.db2.gz OIWRLAIBPZVXIZ-CTYOZDGLSA-N 0 0 447.560 4.818 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1 ZINC000009216642 569512194 /nfs/dbraw/zinc/51/21/94/569512194.db2.gz FSFDUAXZVBHDEA-JOCHJYFZSA-N 0 0 442.515 4.708 50 0 IJAARN CN(Cc1ccccc1N1CCCC1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009217881 569512321 /nfs/dbraw/zinc/51/23/21/569512321.db2.gz UNGVGJLFRAEEAZ-UHFFFAOYSA-N 0 0 430.577 4.884 50 0 IJAARN CCCCn1nc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2c1=O ZINC000009223400 569512970 /nfs/dbraw/zinc/51/29/70/569512970.db2.gz IPDYSEZUVXGMJB-DEOSSOPVSA-N 0 0 441.531 4.725 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc3ncccc32)[C@@H]1c1ccc(OC)cc1 ZINC000009223963 569513053 /nfs/dbraw/zinc/51/30/53/569513053.db2.gz HGCNBXRSIAUMIV-OFVILXPXSA-N 0 0 431.536 4.962 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000009223849 569513088 /nfs/dbraw/zinc/51/30/88/569513088.db2.gz JUFSFMNNIMVXHJ-UHFFFAOYSA-N 0 0 438.530 4.531 50 0 IJAARN Cc1nc(SCc2cc(=O)n3cc(Br)ccc3n2)n(C2CCCC2)c1C ZINC000009224068 569513152 /nfs/dbraw/zinc/51/31/52/569513152.db2.gz NTBGEMQRVICBQA-UHFFFAOYSA-N 0 0 433.375 4.678 50 0 IJAARN Cc1cccc(-n2ncc(C(=O)N3CCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000009227971 569513501 /nfs/dbraw/zinc/51/35/01/569513501.db2.gz VEVDZXUXJZGWQL-UHFFFAOYSA-N 0 0 438.572 4.531 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1 ZINC000009233964 569513905 /nfs/dbraw/zinc/51/39/05/569513905.db2.gz OYMZDPJPAOSPPL-UHFFFAOYSA-N 0 0 429.545 4.951 50 0 IJAARN CCc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238293 569514312 /nfs/dbraw/zinc/51/43/12/569514312.db2.gz VQQKSLZENUGXGR-YADHBBJMSA-N 0 0 441.560 4.905 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239428 569514566 /nfs/dbraw/zinc/51/45/66/569514566.db2.gz AHEJWHYLTVOSON-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN COc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009243804 569515013 /nfs/dbraw/zinc/51/50/13/569515013.db2.gz HZFACFFPPMXGMJ-QFIPXVFZSA-N 0 0 426.472 4.559 50 0 IJAARN COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)coc2c1 ZINC000009244591 569515104 /nfs/dbraw/zinc/51/51/04/569515104.db2.gz FRCJIPSGYFGKDX-CQSZACIVSA-N 0 0 436.489 4.678 50 0 IJAARN C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000009245377 569515305 /nfs/dbraw/zinc/51/53/05/569515305.db2.gz NUVSZWOHTZXNRV-GOSISDBHSA-N 0 0 445.592 4.767 50 0 IJAARN Cc1nc2ccccc2c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1 ZINC000009245756 569515398 /nfs/dbraw/zinc/51/53/98/569515398.db2.gz ZDWJUEBDQREOKT-IBGZPJMESA-N 0 0 425.941 4.905 50 0 IJAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009245877 569515466 /nfs/dbraw/zinc/51/54/66/569515466.db2.gz OLROXMGHSWJFIB-XMMPIXPASA-N 0 0 426.463 4.662 50 0 IJAARN CCCCn1c(=O)c2c(nc1SCC(=O)OCC)-c1ccccc1CC21CCCC1 ZINC000009250967 569515734 /nfs/dbraw/zinc/51/57/34/569515734.db2.gz XANUHFTVEGYBMW-UHFFFAOYSA-N 0 0 426.582 4.734 50 0 biogenic IJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009252794 569516091 /nfs/dbraw/zinc/51/60/91/569516091.db2.gz IZUWOHKDFHGZFE-UHFFFAOYSA-N 0 0 439.493 4.983 50 0 IJAARN O=C(CN(Cc1ccco1)Cc1ccco1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009255959 569516656 /nfs/dbraw/zinc/51/66/56/569516656.db2.gz UMGYBCMYFPBYFU-GOSISDBHSA-N 0 0 435.549 4.891 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009283592 569518891 /nfs/dbraw/zinc/51/88/91/569518891.db2.gz ITMRLWWSBLPSMT-VIFPVBQESA-N 0 0 430.839 4.867 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000009283775 569518977 /nfs/dbraw/zinc/51/89/77/569518977.db2.gz SXAKIGBFONMMSL-NSHDSACASA-N 0 0 441.500 4.881 50 0 IJAARN CCc1cc2c(nc(SCc3cc(=O)oc4cc5c(cc34)CCC5)n(CC)c2=O)s1 ZINC000009284398 569519056 /nfs/dbraw/zinc/51/90/56/569519056.db2.gz QTZZZQANDDQJHJ-UHFFFAOYSA-N 0 0 438.574 4.928 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)Nc3ccccc3F)c2)cc1 ZINC000009285162 569519166 /nfs/dbraw/zinc/51/91/66/569519166.db2.gz LDYINCQSGGIPKV-UHFFFAOYSA-N 0 0 449.891 4.933 50 0 IJAARN CSc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009292329 569519998 /nfs/dbraw/zinc/51/99/98/569519998.db2.gz VNKJAEUYKBMNEQ-DHIUTWEWSA-N 0 0 425.517 4.608 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@@H](O)c1ccccc1 ZINC000009292415 569520021 /nfs/dbraw/zinc/52/00/21/569520021.db2.gz AEHPWXWXVIHMOO-KNQAVFIVSA-N 0 0 431.875 4.725 50 0 IJAARN Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009293297 569520125 /nfs/dbraw/zinc/52/01/25/569520125.db2.gz LXWOAUWGBPDMFG-YADHBBJMSA-N 0 0 431.858 4.678 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293544 569520264 /nfs/dbraw/zinc/52/02/64/569520264.db2.gz KQGFMGGWTVMSPE-XZOQPEGZSA-N 0 0 427.895 4.848 50 0 IJAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009293672 569520287 /nfs/dbraw/zinc/52/02/87/569520287.db2.gz SWSUHBBWVUFAQU-XZOQPEGZSA-N 0 0 443.894 4.548 50 0 IJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C)c4C)ccn3n2)cc1 ZINC000009319685 569522465 /nfs/dbraw/zinc/52/24/65/569522465.db2.gz PPTOUGXWTDSVCV-UHFFFAOYSA-N 0 0 444.535 4.597 50 0 IJAARN CC(C)Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069877819 569522612 /nfs/dbraw/zinc/52/26/12/569522612.db2.gz HXSINJVSKYANPW-QFIPXVFZSA-N 0 0 439.604 4.957 50 0 IJAARN CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009328535 569522938 /nfs/dbraw/zinc/52/29/38/569522938.db2.gz ZPWSQPMAMKDGBQ-LJQANCHMSA-N 0 0 434.521 4.587 50 0 IJAARN COc1cc(NC(=O)NCc2cccc(COc3ccccc3)c2)ccc1N1CCCC1=O ZINC000069899598 569522940 /nfs/dbraw/zinc/52/29/40/569522940.db2.gz OXYNAXAYDXNBRY-UHFFFAOYSA-N 0 0 445.519 4.723 50 0 IJAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009338160 569523647 /nfs/dbraw/zinc/52/36/47/569523647.db2.gz ADGCEVMRAHXWDL-QFIPXVFZSA-N 0 0 425.488 4.774 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)CCO)occ3-c1ccc(Cl)cc1 ZINC000009341609 569523874 /nfs/dbraw/zinc/52/38/74/569523874.db2.gz LVHWWIAVFRMIHA-UHFFFAOYSA-N 0 0 439.895 4.551 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1OC ZINC000009358664 569525700 /nfs/dbraw/zinc/52/57/00/569525700.db2.gz SJQDYIMUMKYZFW-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(C)cc(C)c3)s2)c(C)c1 ZINC000009365242 569526140 /nfs/dbraw/zinc/52/61/40/569526140.db2.gz NBBFTZLWVMCLNC-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN COc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1OC ZINC000009367910 569526553 /nfs/dbraw/zinc/52/65/53/569526553.db2.gz UGOXFLKFAHRNMZ-UHFFFAOYSA-N 0 0 449.334 4.605 50 0 IJAARN CCCSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1ccccc1OC ZINC000009369017 569526641 /nfs/dbraw/zinc/52/66/41/569526641.db2.gz WYAKLFNWOXXFTM-UHFFFAOYSA-N 0 0 434.924 4.501 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009377462 569527487 /nfs/dbraw/zinc/52/74/87/569527487.db2.gz KHPKDXFILAWCEF-NRFANRHFSA-N 0 0 429.588 4.847 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000009377446 569527519 /nfs/dbraw/zinc/52/75/19/569527519.db2.gz FAONQLFYIKWCDK-LJQANCHMSA-N 0 0 447.589 4.847 50 0 IJAARN O=C(NCC12CC3CC(C1)CC(CNC(=O)c1ccc(F)cc1)(C3)C2)c1ccc(F)cc1 ZINC000009379625 569527703 /nfs/dbraw/zinc/52/77/03/569527703.db2.gz KMGIWGQYEGNKHY-UHFFFAOYSA-N 0 0 438.518 4.711 50 0 IJAARN CCCCCOC(=O)CSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000009380377 569527875 /nfs/dbraw/zinc/52/78/75/569527875.db2.gz ZUFZITUUXJJKOX-UHFFFAOYSA-N 0 0 431.583 4.916 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc(OCC)c1OCC ZINC000009381068 569528117 /nfs/dbraw/zinc/52/81/17/569528117.db2.gz HYVDSXHNDPMUMQ-UHFFFAOYSA-N 0 0 442.581 4.936 50 0 IJAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)cc1OCC ZINC000009390978 569528857 /nfs/dbraw/zinc/52/88/57/569528857.db2.gz WXXNJEKYXYKCSZ-UHFFFAOYSA-N 0 0 439.537 4.677 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000009398899 569529292 /nfs/dbraw/zinc/52/92/92/569529292.db2.gz XOIREDQSQGNDDA-KBPBESRZSA-N 0 0 447.963 4.957 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 ZINC000009403991 569529556 /nfs/dbraw/zinc/52/95/56/569529556.db2.gz WVZIYDNUCAGJLZ-UHFFFAOYSA-N 0 0 425.535 4.866 50 0 IJAARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCc1cn2cccnc2n1 ZINC000009403786 569529559 /nfs/dbraw/zinc/52/95/59/569529559.db2.gz RQCOOJRIMRIEDX-UHFFFAOYSA-N 0 0 433.924 4.683 50 0 IJAARN O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2)Nc1ccc(Cl)cc1 ZINC000009407918 569530399 /nfs/dbraw/zinc/53/03/99/569530399.db2.gz HKIHVELOMGFUNU-UHFFFAOYSA-N 0 0 427.907 4.800 50 0 IJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccc(Br)cn3)c(C)c12 ZINC000009408548 569530650 /nfs/dbraw/zinc/53/06/50/569530650.db2.gz NRVVEGWGQUGTQV-UHFFFAOYSA-N 0 0 444.377 4.840 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009409113 569530886 /nfs/dbraw/zinc/53/08/86/569530886.db2.gz QWVATGKYPQPEQI-RUZDIDTESA-N 0 0 449.551 4.931 50 0 IJAARN Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1F ZINC000009412548 569531582 /nfs/dbraw/zinc/53/15/82/569531582.db2.gz PDRFRMGYTHVKHG-UHFFFAOYSA-N 0 0 437.496 4.679 50 0 IJAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCc1cccc(C(F)(F)F)c1 ZINC000009413224 569531693 /nfs/dbraw/zinc/53/16/93/569531693.db2.gz DHHXNBZWPSYDEU-UHFFFAOYSA-N 0 0 436.484 4.551 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 ZINC000009413346 569531695 /nfs/dbraw/zinc/53/16/95/569531695.db2.gz PRBILWMQJGBHHX-JGCGQSQUSA-N 0 0 445.544 4.747 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 ZINC000009413381 569531702 /nfs/dbraw/zinc/53/17/02/569531702.db2.gz CFIHHBYVULPQQY-JGCGQSQUSA-N 0 0 445.544 4.747 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2OC)cc1 ZINC000009413726 569531809 /nfs/dbraw/zinc/53/18/09/569531809.db2.gz DFKWUWLDVBBJRE-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c(OC)c1 ZINC000009414601 569532005 /nfs/dbraw/zinc/53/20/05/569532005.db2.gz UYQUDTASAMZUIV-OAQYLSRUSA-N 0 0 438.505 4.506 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009426968 569533296 /nfs/dbraw/zinc/53/32/96/569533296.db2.gz XPVQZKYPXLRGOF-CSKARUKUSA-N 0 0 426.303 4.970 50 0 IJAARN Cc1cc2cc(CCNC(=O)c3cc(Br)ccc3Cl)c(=O)[nH]c2cc1C ZINC000009428125 569533466 /nfs/dbraw/zinc/53/34/66/569533466.db2.gz PUNCCSQQTHJWSV-UHFFFAOYSA-N 0 0 433.733 4.533 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)N(C)c4cc(Cl)ccc4C)C3)n2)cc1 ZINC000009431618 569534277 /nfs/dbraw/zinc/53/42/77/569534277.db2.gz MFYKDLOWWNTBMQ-KRWDZBQOSA-N 0 0 440.931 4.586 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)[C@H]1c1cccs1 ZINC000009432818 569534493 /nfs/dbraw/zinc/53/44/93/569534493.db2.gz MFBDSJKCAVNWLU-XZOQPEGZSA-N 0 0 448.544 4.517 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccn1)occ3-c1ccc(F)cc1 ZINC000009433919 569534630 /nfs/dbraw/zinc/53/46/30/569534630.db2.gz QFNPXZZZYXHDCE-UHFFFAOYSA-N 0 0 442.446 4.908 50 0 IJAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000009443012 569535642 /nfs/dbraw/zinc/53/56/42/569535642.db2.gz ICNCSXNNVVALPT-UHFFFAOYSA-N 0 0 438.622 4.724 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000009454718 569536733 /nfs/dbraw/zinc/53/67/33/569536733.db2.gz FFVBMKDOSLTQIY-KRWDZBQOSA-N 0 0 448.589 4.975 50 0 IJAARN O=C(NC1CCCCCC1)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000009460343 569536916 /nfs/dbraw/zinc/53/69/16/569536916.db2.gz QGZCUVPPFGAJSD-UHFFFAOYSA-N 0 0 445.368 4.518 50 0 IJAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@@H](c2ccc(Br)cc2)C1 ZINC000009461212 569536982 /nfs/dbraw/zinc/53/69/82/569536982.db2.gz MBNAVTWMAPUPHJ-GOSISDBHSA-N 0 0 435.705 4.725 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000009463175 569537431 /nfs/dbraw/zinc/53/74/31/569537431.db2.gz XFBDHVGLKZDESA-SFHVURJKSA-N 0 0 429.549 4.816 50 0 IJAARN C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000009463672 569537471 /nfs/dbraw/zinc/53/74/71/569537471.db2.gz ZYXCRKUFGPNUAF-INIZCTEOSA-N 0 0 438.601 4.607 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)cc1 ZINC000009464454 569537691 /nfs/dbraw/zinc/53/76/91/569537691.db2.gz RDLSUXPPGDIHEG-UHFFFAOYSA-N 0 0 446.326 4.549 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)nc2c1 ZINC000009466409 569538190 /nfs/dbraw/zinc/53/81/90/569538190.db2.gz ZAKAEQRGHQAUOO-ZDUSSCGKSA-N 0 0 426.567 4.883 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cn3c(cccc3C)n1)CC2 ZINC000009467362 569538374 /nfs/dbraw/zinc/53/83/74/569538374.db2.gz APGVEWYPQBXYSU-HSZRJFAPSA-N 0 0 433.533 4.509 50 0 IJAARN C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009467306 569538407 /nfs/dbraw/zinc/53/84/07/569538407.db2.gz NCNWXFPRGIJCJZ-CJFMBICVSA-N 0 0 438.531 4.611 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCSc3ccccc32)cc1 ZINC000009469907 569538851 /nfs/dbraw/zinc/53/88/51/569538851.db2.gz JQWGYHZROGTVMQ-UHFFFAOYSA-N 0 0 447.560 4.888 50 0 IJAARN CC(C)(C)c1csc(-c2ccc(OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2)n1 ZINC000009481136 569539414 /nfs/dbraw/zinc/53/94/14/569539414.db2.gz XWBYZWCWNUAFHG-UHFFFAOYSA-N 0 0 437.565 4.933 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)C12CC3CC(CC(C3)C1)C2 ZINC000009492813 569540628 /nfs/dbraw/zinc/54/06/28/569540628.db2.gz CXKYYUWVAREOIT-JIEKGTPASA-N 0 0 439.412 4.849 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc(Cc2csc(C)n2)o1 ZINC000009493204 569540702 /nfs/dbraw/zinc/54/07/02/569540702.db2.gz RLMLQRDPDMXECT-UHFFFAOYSA-N 0 0 440.550 4.751 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2ccccc21)c1ccccc1 ZINC000009496545 569541213 /nfs/dbraw/zinc/54/12/13/569541213.db2.gz FACNVOFNKDQXAH-QGZVFWFLSA-N 0 0 442.544 4.852 50 0 IJAARN COc1ccccc1CCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009497497 569541256 /nfs/dbraw/zinc/54/12/56/569541256.db2.gz ONKOQNIPCWQVNU-UHFFFAOYSA-N 0 0 440.547 4.932 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000009501131 569541594 /nfs/dbraw/zinc/54/15/94/569541594.db2.gz JEQKONXDFSEFIK-QFIPXVFZSA-N 0 0 443.591 4.776 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc1OC ZINC000009507459 569542002 /nfs/dbraw/zinc/54/20/02/569542002.db2.gz GGTSPELPLSTZNV-UHFFFAOYSA-N 0 0 433.254 4.572 50 0 IJAARN CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1 ZINC000009507264 569542024 /nfs/dbraw/zinc/54/20/24/569542024.db2.gz KDSYOYSWQCQLCS-UHFFFAOYSA-N 0 0 444.988 4.993 50 0 IJAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1 ZINC000009507747 569542130 /nfs/dbraw/zinc/54/21/30/569542130.db2.gz HDRVLZCTBBCVGX-CQSZACIVSA-N 0 0 430.961 4.603 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)ccc1Br ZINC000009507855 569542195 /nfs/dbraw/zinc/54/21/95/569542195.db2.gz DLVNHKUBTZBIPY-UHFFFAOYSA-N 0 0 446.157 4.838 50 0 IJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518482 569544068 /nfs/dbraw/zinc/54/40/68/569544068.db2.gz VGRMGXAJTNOGNY-OAHLLOKOSA-N 0 0 444.443 4.820 50 0 IJAARN COc1ccccc1CC[NH2+]Cc1c2ccccc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000009531646 569545192 /nfs/dbraw/zinc/54/51/92/569545192.db2.gz JOCPGNKCSBWLAD-UHFFFAOYSA-N 0 0 432.495 4.868 50 0 IJAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009532280 569545267 /nfs/dbraw/zinc/54/52/67/569545267.db2.gz DUAWHTHHHOZMMF-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009534737 569545513 /nfs/dbraw/zinc/54/55/13/569545513.db2.gz XOLWJOPPWUZZHS-JOCHJYFZSA-N 0 0 427.547 4.574 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009550026 569546673 /nfs/dbraw/zinc/54/66/73/569546673.db2.gz GBKAKBRWWQZHRN-UHFFFAOYSA-N 0 0 428.517 4.980 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559068 569546950 /nfs/dbraw/zinc/54/69/50/569546950.db2.gz NUOGBXGSYDRVMK-UHFFFAOYSA-N 0 0 432.501 4.541 50 0 IJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(C(=O)NC3CCCC3)c2)n1 ZINC000009561327 569547087 /nfs/dbraw/zinc/54/70/87/569547087.db2.gz PZYKMLQUYJMBPB-UHFFFAOYSA-N 0 0 426.524 4.848 50 0 IJAARN O=C(COc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000009561783 569547157 /nfs/dbraw/zinc/54/71/57/569547157.db2.gz WJDUWXSHDGKICB-UHFFFAOYSA-N 0 0 440.547 4.669 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000009562767 569547344 /nfs/dbraw/zinc/54/73/44/569547344.db2.gz JJWYSLWFEKAUMJ-UHFFFAOYSA-N 0 0 427.533 4.501 50 0 IJAARN CCN(c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)cc1)C(C)C ZINC000009570419 569547636 /nfs/dbraw/zinc/54/76/36/569547636.db2.gz HHDOSFXHYWIMKG-UHFFFAOYSA-N 0 0 437.613 4.854 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000009572551 569547794 /nfs/dbraw/zinc/54/77/94/569547794.db2.gz BTPDMWWLYBSLFQ-UHFFFAOYSA-N 0 0 439.585 4.792 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2)c1 ZINC000009576422 569548050 /nfs/dbraw/zinc/54/80/50/569548050.db2.gz PDPPUCUXZKYFJX-QFIPXVFZSA-N 0 0 448.544 4.680 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)N2CCCCC2)nn1 ZINC000009578177 569548310 /nfs/dbraw/zinc/54/83/10/569548310.db2.gz KKOFNJYSWQPDNC-UHFFFAOYSA-N 0 0 428.558 4.819 50 0 IJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCOc1ccccc1F ZINC000009578840 569548398 /nfs/dbraw/zinc/54/83/98/569548398.db2.gz DOHAFUOSNTWLEG-UHFFFAOYSA-N 0 0 445.494 4.555 50 0 IJAARN O=C(COc1ccccc1Cc1ccccc1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009578972 569548438 /nfs/dbraw/zinc/54/84/38/569548438.db2.gz MXYWPXGMPRHYPN-UHFFFAOYSA-N 0 0 442.559 4.599 50 0 IJAARN CC(C)n1nccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009579308 569548520 /nfs/dbraw/zinc/54/85/20/569548520.db2.gz VSNSWNHGKXPWFG-UHFFFAOYSA-N 0 0 430.537 4.714 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCC(c2ccccc2)=N1 ZINC000009580446 569548752 /nfs/dbraw/zinc/54/87/52/569548752.db2.gz RDOCAWQWVRIVNH-UHFFFAOYSA-N 0 0 435.553 4.772 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000009580988 569549062 /nfs/dbraw/zinc/54/90/62/569549062.db2.gz BVXCVFBXIWKDBJ-MRXNPFEDSA-N 0 0 438.684 4.508 50 0 IJAARN CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000009584124 569549319 /nfs/dbraw/zinc/54/93/19/569549319.db2.gz HDBMRBOKAVDQEY-LJQANCHMSA-N 0 0 426.973 4.904 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 ZINC000009583931 569549343 /nfs/dbraw/zinc/54/93/43/569549343.db2.gz SWHCCBFSIFFIFL-UHFFFAOYSA-N 0 0 441.512 4.952 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2Br)c(C)c1 ZINC000009584379 569549401 /nfs/dbraw/zinc/54/94/01/569549401.db2.gz KNAIFVMPJOIEEB-LJQANCHMSA-N 0 0 438.329 4.585 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1OC(c2ccc(Br)cc2)=NN1C(C)=O ZINC000009584917 569549432 /nfs/dbraw/zinc/54/94/32/569549432.db2.gz TYXRQTNDQPKBMB-OAQYLSRUSA-N 0 0 425.282 4.850 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000009586085 569549613 /nfs/dbraw/zinc/54/96/13/569549613.db2.gz OCHXBQIJWVEIGG-UHFFFAOYSA-N 0 0 444.597 4.728 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000009586111 569549636 /nfs/dbraw/zinc/54/96/36/569549636.db2.gz FAZRBIGXVNOALY-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN Cc1cc(NC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)ccc1Br ZINC000009587659 569549776 /nfs/dbraw/zinc/54/97/76/569549776.db2.gz QMNQMJIJXKIGDO-UHFFFAOYSA-N 0 0 429.314 4.789 50 0 biogenic IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009588395 569549883 /nfs/dbraw/zinc/54/98/83/569549883.db2.gz ILTJJSGCDLNJEW-UHFFFAOYSA-N 0 0 436.867 4.980 50 0 IJAARN CCOC(=O)[C@@H](Sc1nnc([C@H](CC)N(C)C)n1Cc1ccccc1)c1ccccc1 ZINC000009592060 569550307 /nfs/dbraw/zinc/55/03/07/569550307.db2.gz BCAOUZJSSSBWNY-SFTDATJTSA-N 0 0 438.597 4.736 50 0 IJAARN Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1C1CCCCC1 ZINC000009592652 569550371 /nfs/dbraw/zinc/55/03/71/569550371.db2.gz QWWKORCENLSGRQ-UHFFFAOYSA-N 0 0 434.363 4.968 50 0 IJAARN O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)Nc1cccc2ccccc21 ZINC000009600050 569551428 /nfs/dbraw/zinc/55/14/28/569551428.db2.gz MEQCNIFHOLLOBQ-UHFFFAOYSA-N 0 0 434.546 4.603 50 0 IJAARN Clc1ccccc1-n1c(SCc2nc(-c3ccsc3)no2)nnc1N1CCCC1 ZINC000009606656 569551988 /nfs/dbraw/zinc/55/19/88/569551988.db2.gz MVPSSULZDYKGKQ-UHFFFAOYSA-N 0 0 444.973 4.925 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c(OC)c1 ZINC000009609626 569552391 /nfs/dbraw/zinc/55/23/91/569552391.db2.gz PFNLTPAVTZVOSD-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccccc3Cl)c(C)n2n1 ZINC000009609726 569552424 /nfs/dbraw/zinc/55/24/24/569552424.db2.gz ANUYEYGUMFOEIY-UHFFFAOYSA-N 0 0 448.954 4.924 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)cc(C(=O)c1ccc(F)cc1)c2=O ZINC000009610762 569552619 /nfs/dbraw/zinc/55/26/19/569552619.db2.gz PKMLCAFTGAHICR-UHFFFAOYSA-N 0 0 435.426 4.576 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc12 ZINC000009613797 569553083 /nfs/dbraw/zinc/55/30/83/569553083.db2.gz FVRJFUPUXUSZFO-LBPRGKRZSA-N 0 0 436.468 4.506 50 0 IJAARN CNC(=O)c1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000009613989 569553096 /nfs/dbraw/zinc/55/30/96/569553096.db2.gz HVWZUWMSYPIFPP-UHFFFAOYSA-N 0 0 439.309 4.640 50 0 IJAARN Cc1nnc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccc(F)cc2)s1 ZINC000009614624 569553160 /nfs/dbraw/zinc/55/31/60/569553160.db2.gz LEHKYDCNGSHJBB-LJQANCHMSA-N 0 0 439.541 4.814 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3C)c2=O)CCC4)cc1 ZINC000009615410 569553172 /nfs/dbraw/zinc/55/31/72/569553172.db2.gz NEUYINSXZPTVOY-UHFFFAOYSA-N 0 0 430.573 4.930 50 0 IJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009620110 569553399 /nfs/dbraw/zinc/55/33/99/569553399.db2.gz XGMIWNLXCFAKQF-ZDUSSCGKSA-N 0 0 447.520 4.609 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 ZINC000009625633 569553540 /nfs/dbraw/zinc/55/35/40/569553540.db2.gz VUSLKMYHVNKHIE-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccnc3Cl)c3ccccc3n2)cc1 ZINC000009631191 569553734 /nfs/dbraw/zinc/55/37/34/569553734.db2.gz RQNBASSMQIUUKA-UHFFFAOYSA-N 0 0 447.878 4.754 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009631773 569553802 /nfs/dbraw/zinc/55/38/02/569553802.db2.gz FVLXJYJSEYGLAE-UHFFFAOYSA-N 0 0 434.487 4.928 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)s1 ZINC000009631706 569553841 /nfs/dbraw/zinc/55/38/41/569553841.db2.gz NYTKYPARKXIHEP-UHFFFAOYSA-N 0 0 428.539 4.614 50 0 IJAARN O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009632193 569553976 /nfs/dbraw/zinc/55/39/76/569553976.db2.gz UICSSSQDZOSXPW-UHFFFAOYSA-N 0 0 429.806 4.645 50 0 IJAARN CCCCCC(=O)Nc1ccc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000009633294 569554213 /nfs/dbraw/zinc/55/42/13/569554213.db2.gz LUDMQNHZVAFGGD-UHFFFAOYSA-N 0 0 428.838 4.922 50 0 IJAARN CSc1cccc(-n2nnc(-c3nsc(NC(=O)c4cccc(Cl)c4)n3)c2C)c1 ZINC000009638305 569555002 /nfs/dbraw/zinc/55/50/02/569555002.db2.gz GIEXSYJXSQFQGE-UHFFFAOYSA-N 0 0 442.957 4.722 50 0 IJAARN COc1cc(CN(C)C(=O)c2ccc(Br)o2)ccc1OCc1ccccc1 ZINC000009638487 569555009 /nfs/dbraw/zinc/55/50/09/569555009.db2.gz IOFCJLPEWNHRHQ-UHFFFAOYSA-N 0 0 430.298 4.902 50 0 IJAARN Cc1ccccc1-c1nc2cc(=O)[nH]n2c(SCCOc2ccc(C(C)(C)C)cc2)n1 ZINC000009640618 569555416 /nfs/dbraw/zinc/55/54/16/569555416.db2.gz CVWFXGHANXMIJE-UHFFFAOYSA-N 0 0 434.565 4.862 50 0 IJAARN Cc1ccc(-c2nc3cc(=O)[nH]n3c(SCCCOc3ccccc3Cl)n2)cc1 ZINC000009640709 569555494 /nfs/dbraw/zinc/55/54/94/569555494.db2.gz WIILZCLEGKKSJX-UHFFFAOYSA-N 0 0 426.929 4.608 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n2CC(C)C)cc1 ZINC000009644622 569556065 /nfs/dbraw/zinc/55/60/65/569556065.db2.gz YDBIFMUIJCBYTF-OAQYLSRUSA-N 0 0 436.581 4.722 50 0 IJAARN CCc1cc2oc(=O)cc(CSCc3cc(=O)n4c(C)csc4n3)c2cc1Cl ZINC000009647088 569556409 /nfs/dbraw/zinc/55/64/09/569556409.db2.gz AGJKMUIKKRTIQM-UHFFFAOYSA-N 0 0 432.954 4.820 50 0 IJAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)cc1 ZINC000009660223 569556671 /nfs/dbraw/zinc/55/66/71/569556671.db2.gz TVTUMTWOYDSDDO-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C1\SC(=N)NC1=O ZINC000009660241 569556734 /nfs/dbraw/zinc/55/67/34/569556734.db2.gz FTJMWHJSZOMXMD-BOPFTXTBSA-N 0 0 447.354 4.662 50 0 IJAARN Cc1ccc(N2C(=O)N(CC(=O)c3ccc(Cl)s3)c3ccccc3S2(=O)=O)cc1 ZINC000009663693 569557271 /nfs/dbraw/zinc/55/72/71/569557271.db2.gz MLIRYCDWVOACCE-UHFFFAOYSA-N 0 0 446.937 4.728 50 0 IJAARN Cn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009665170 569557519 /nfs/dbraw/zinc/55/75/19/569557519.db2.gz LMCBYJAIRDYDSA-UHFFFAOYSA-N 0 0 428.989 4.842 50 0 IJAARN COc1ccc(Nc2nc(CSc3nncn3-c3ccccc3OC)cs2)cc1 ZINC000009669476 569558017 /nfs/dbraw/zinc/55/80/17/569558017.db2.gz IDZZYKOOMBDXJT-UHFFFAOYSA-N 0 0 425.539 4.777 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000009669714 569558097 /nfs/dbraw/zinc/55/80/97/569558097.db2.gz PGZIFKGOBQBBNC-UHFFFAOYSA-N 0 0 436.515 4.992 50 0 IJAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)C(C)C)cc1 ZINC000009670080 569558248 /nfs/dbraw/zinc/55/82/48/569558248.db2.gz KXSCPZMOWUTZET-QHCPKHFHSA-N 0 0 442.519 4.632 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000009670360 569558265 /nfs/dbraw/zinc/55/82/65/569558265.db2.gz ILGNEVZWFWBERT-LBPRGKRZSA-N 0 0 425.851 4.514 50 0 IJAARN O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000009671234 569558496 /nfs/dbraw/zinc/55/84/96/569558496.db2.gz KLNSOTXBHPBXAR-OAQYLSRUSA-N 0 0 443.528 4.533 50 0 IJAARN O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000009671232 569558522 /nfs/dbraw/zinc/55/85/22/569558522.db2.gz KLNSOTXBHPBXAR-NRFANRHFSA-N 0 0 443.528 4.533 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(Cl)nc2ccccc21 ZINC000009671430 569558549 /nfs/dbraw/zinc/55/85/49/569558549.db2.gz UIJUSRZINMHPNC-UHFFFAOYSA-N 0 0 449.894 4.771 50 0 IJAARN O=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccccc1)NC[C@H]1CCCO1 ZINC000009674085 569559088 /nfs/dbraw/zinc/55/90/88/569559088.db2.gz WSCQNYXDSVDPJR-GOSISDBHSA-N 0 0 427.957 4.784 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2ccccn2)cc1 ZINC000009679297 569559879 /nfs/dbraw/zinc/55/98/79/569559879.db2.gz XLOAFHFXXUXQNV-XMMPIXPASA-N 0 0 438.487 4.707 50 0 IJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000009688118 569560850 /nfs/dbraw/zinc/56/08/50/569560850.db2.gz HBJWWQOVQMSYEM-UHFFFAOYSA-N 0 0 441.969 4.958 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000009707832 569561708 /nfs/dbraw/zinc/56/17/08/569561708.db2.gz HRJXYTITBXBKFE-UHFFFAOYSA-N 0 0 434.308 4.689 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)n2-n2cccc2)cc1 ZINC000009707882 569561714 /nfs/dbraw/zinc/56/17/14/569561714.db2.gz FTUDTRXUVODTIE-UHFFFAOYSA-N 0 0 437.956 4.674 50 0 IJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009711971 569562122 /nfs/dbraw/zinc/56/21/22/569562122.db2.gz WMQDZEYWKXVDMS-UHFFFAOYSA-N 0 0 430.537 4.751 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc12 ZINC000009712966 569562452 /nfs/dbraw/zinc/56/24/52/569562452.db2.gz MFJSDLXVQKBQFF-UHFFFAOYSA-N 0 0 433.533 4.764 50 0 IJAARN CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009713487 569562666 /nfs/dbraw/zinc/56/26/66/569562666.db2.gz BTMFCHWTQHATNQ-IBGZPJMESA-N 0 0 437.565 4.673 50 0 IJAARN CCn1c2ccccc2nc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009713486 569562672 /nfs/dbraw/zinc/56/26/72/569562672.db2.gz BTMFCHWTQHATNQ-LJQANCHMSA-N 0 0 437.565 4.673 50 0 IJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c(OC)c1 ZINC000009713962 569562728 /nfs/dbraw/zinc/56/27/28/569562728.db2.gz PQQYPNOEQSZUSD-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN O=C(Nc1nc2c(cccc2F)s1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009714956 569562939 /nfs/dbraw/zinc/56/29/39/569562939.db2.gz MDLZCQUCTMYVSB-UHFFFAOYSA-N 0 0 445.472 4.628 50 0 IJAARN Cc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)ccc2s1 ZINC000009714908 569562948 /nfs/dbraw/zinc/56/29/48/569562948.db2.gz KJPSEQDMJQQPBK-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1ccc(NCc2nn3cc(-c4ccc(OC)c(OC)c4)c4c3n2CCCC4)cc1 ZINC000009715202 569563046 /nfs/dbraw/zinc/56/30/46/569563046.db2.gz ZHNQUAXTUBQZOP-UHFFFAOYSA-N 0 0 432.524 4.777 50 0 IJAARN COc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)NCc4ccc(F)cc4)c3c2c1 ZINC000009725621 569563844 /nfs/dbraw/zinc/56/38/44/569563844.db2.gz PRRRTIIDDGSSEN-UHFFFAOYSA-N 0 0 440.478 4.716 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1 ZINC000009727347 569563975 /nfs/dbraw/zinc/56/39/75/569563975.db2.gz NHMVLYVWVMTPSN-UHFFFAOYSA-N 0 0 448.573 4.853 50 0 IJAARN Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCc4ccccc4Cl)nn32)c1 ZINC000009743808 569565543 /nfs/dbraw/zinc/56/55/43/569565543.db2.gz YSXDEIMEYOPMIJ-UHFFFAOYSA-N 0 0 434.931 4.578 50 0 IJAARN Cc1cccc(NC(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000009746193 569565706 /nfs/dbraw/zinc/56/57/06/569565706.db2.gz KEBIUTYHBVZLKZ-QFIPXVFZSA-N 0 0 443.613 4.675 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1Cc1cccs1)Nc1ccccc1 ZINC000009749904 569566023 /nfs/dbraw/zinc/56/60/23/569566023.db2.gz GIYQJEFQELMSGB-UHFFFAOYSA-N 0 0 447.541 4.983 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)cc1 ZINC000009761517 569566329 /nfs/dbraw/zinc/56/63/29/569566329.db2.gz YHHIPNSCTMDLEW-UHFFFAOYSA-N 0 0 431.517 4.515 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000009762562 569566503 /nfs/dbraw/zinc/56/65/03/569566503.db2.gz AMWWMVVBNRZQKX-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009766053 569566827 /nfs/dbraw/zinc/56/68/27/569566827.db2.gz MEKPLIHEZHJFDB-UHFFFAOYSA-N 0 0 428.517 4.980 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2ccncc2)cc1 ZINC000009768031 569566939 /nfs/dbraw/zinc/56/69/39/569566939.db2.gz SPLHKOUPFOKZMR-UHFFFAOYSA-N 0 0 441.560 4.573 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)Nc1ccccc1 ZINC000009775810 569566977 /nfs/dbraw/zinc/56/69/77/569566977.db2.gz MTOSZOWLQSBNMW-UHFFFAOYSA-N 0 0 447.535 4.941 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1cc2ccccc2o1 ZINC000009778446 569567216 /nfs/dbraw/zinc/56/72/16/569567216.db2.gz OSMDSPUVIYEDMN-CQSZACIVSA-N 0 0 438.578 4.981 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778667 569567271 /nfs/dbraw/zinc/56/72/71/569567271.db2.gz YOKYVPSSSOWUNR-SFTDATJTSA-N 0 0 434.854 4.540 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009779172 569567371 /nfs/dbraw/zinc/56/73/71/569567371.db2.gz SPQSLSVAMSZJTD-HXUWFJFHSA-N 0 0 442.516 4.605 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009779169 569567390 /nfs/dbraw/zinc/56/73/90/569567390.db2.gz SPQSLSVAMSZJTD-FQEVSTJZSA-N 0 0 442.516 4.605 50 0 IJAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccccc1 ZINC000009780465 569567485 /nfs/dbraw/zinc/56/74/85/569567485.db2.gz RCNSGRBMVDZBQX-UHFFFAOYSA-N 0 0 447.535 4.729 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009780631 569567493 /nfs/dbraw/zinc/56/74/93/569567493.db2.gz ZJTCYTBUTUXBNN-HNNXBMFYSA-N 0 0 439.947 4.773 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)on2)cc1 ZINC000009780826 569567530 /nfs/dbraw/zinc/56/75/30/569567530.db2.gz VTZQZJUHIIVXTH-OAQYLSRUSA-N 0 0 433.508 4.587 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009783446 569567846 /nfs/dbraw/zinc/56/78/46/569567846.db2.gz YSGABIKEDJQOKI-JOCHJYFZSA-N 0 0 431.561 4.967 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000009788855 569568009 /nfs/dbraw/zinc/56/80/09/569568009.db2.gz BPGGNVOYIYBHCG-INIZCTEOSA-N 0 0 445.548 4.589 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(-c4ccccc4)n3)[C@H](c3ccco3)C2)cc1 ZINC000009789016 569568025 /nfs/dbraw/zinc/56/80/25/569568025.db2.gz MAQCVWRKWAXBOE-FQEVSTJZSA-N 0 0 443.532 4.843 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009790264 569568165 /nfs/dbraw/zinc/56/81/65/569568165.db2.gz XMGHCFROQQSLSJ-HXUWFJFHSA-N 0 0 432.505 4.635 50 0 IJAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(F)cc2)cc1=O ZINC000009815980 569569203 /nfs/dbraw/zinc/56/92/03/569569203.db2.gz MJIVHYCUMULSHD-UHFFFAOYSA-N 0 0 426.513 4.544 50 0 IJAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1=O ZINC000009827882 569569679 /nfs/dbraw/zinc/56/96/79/569569679.db2.gz AFLRIOMBRCUIGH-UHFFFAOYSA-N 0 0 432.860 4.662 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccccc3)nn21)Nc1ccc(Cl)c(Cl)c1 ZINC000009829043 569569933 /nfs/dbraw/zinc/56/99/33/569569933.db2.gz ICXMWUBHENLHPR-UHFFFAOYSA-N 0 0 430.320 4.829 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000009829373 569570054 /nfs/dbraw/zinc/57/00/54/569570054.db2.gz XVHNJTTZLSRGNO-UHFFFAOYSA-N 0 0 439.924 4.686 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)c1 ZINC000009833824 569570403 /nfs/dbraw/zinc/57/04/03/569570403.db2.gz WSQHSORXYOGLOT-UHFFFAOYSA-N 0 0 443.550 4.517 50 0 IJAARN Cn1cccc1[C@H]1CCCN1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009834346 569570587 /nfs/dbraw/zinc/57/05/87/569570587.db2.gz TUOYOQQMMMRICH-YADHBBJMSA-N 0 0 436.943 4.786 50 0 IJAARN CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000009836648 569570723 /nfs/dbraw/zinc/57/07/23/569570723.db2.gz PCDSXJBIOWVGGD-HNNXBMFYSA-N 0 0 437.594 4.886 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009836603 569570758 /nfs/dbraw/zinc/57/07/58/569570758.db2.gz OLDQUWGRSWHFFM-UHFFFAOYSA-N 0 0 427.353 4.729 50 0 IJAARN O=C(Nc1cc2c(cc1[C@@H](O)c1ccc(Br)cc1)OCCO2)c1cccs1 ZINC000009846179 569571018 /nfs/dbraw/zinc/57/10/18/569571018.db2.gz RDOQEAUOLCMCAN-IBGZPJMESA-N 0 0 446.322 4.616 50 0 IJAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000009847367 569571114 /nfs/dbraw/zinc/57/11/14/569571114.db2.gz SJOSZQNOICRNNG-UHFFFAOYSA-N 0 0 448.500 4.591 50 0 IJAARN Cn1c(C(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc2sccc21 ZINC000009847845 569571174 /nfs/dbraw/zinc/57/11/74/569571174.db2.gz MYAPVKQPFCJQHD-UHFFFAOYSA-N 0 0 449.620 4.573 50 0 IJAARN CCc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000009847562 569571184 /nfs/dbraw/zinc/57/11/84/569571184.db2.gz DSJOEBSTCKGDIF-UHFFFAOYSA-N 0 0 431.513 4.870 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000009858338 569571736 /nfs/dbraw/zinc/57/17/36/569571736.db2.gz USIIANPKLYDPGM-UHFFFAOYSA-N 0 0 445.592 4.853 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000009863749 569572093 /nfs/dbraw/zinc/57/20/93/569572093.db2.gz GLJWCSRPSFVDKU-INIZCTEOSA-N 0 0 430.533 4.785 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000009867273 569572211 /nfs/dbraw/zinc/57/22/11/569572211.db2.gz PAZKQEISBHDGNG-UHFFFAOYSA-N 0 0 438.531 4.618 50 0 IJAARN O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccccc1F ZINC000009892747 569572996 /nfs/dbraw/zinc/57/29/96/569572996.db2.gz ZZKAHYMWHHPAAD-UHFFFAOYSA-N 0 0 429.459 4.549 50 0 IJAARN CC(=O)c1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1cccc(F)c1 ZINC000009937730 569573869 /nfs/dbraw/zinc/57/38/69/569573869.db2.gz URBNRHGDRGCUAE-UHFFFAOYSA-N 0 0 442.899 4.566 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1CCc1cccs1 ZINC000009948904 569574181 /nfs/dbraw/zinc/57/41/81/569574181.db2.gz QBJYFTMHCLTKFN-UHFFFAOYSA-N 0 0 437.594 4.575 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000009950136 569574330 /nfs/dbraw/zinc/57/43/30/569574330.db2.gz IMYXJEUWBVWJEO-IFMALSPDSA-N 0 0 447.608 4.519 50 0 IJAARN CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nnc1-c1cccs1 ZINC000009952123 569574592 /nfs/dbraw/zinc/57/45/92/569574592.db2.gz VCXIWOHSHQOSAH-CYBMUJFWSA-N 0 0 443.623 4.948 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c1 ZINC000009958743 569574942 /nfs/dbraw/zinc/57/49/42/569574942.db2.gz YHGYFQSXUQWWSU-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1nnc(-c2ccccc2)o1 ZINC000009959007 569575003 /nfs/dbraw/zinc/57/50/03/569575003.db2.gz XXLQBOLEAZWQQU-UHFFFAOYSA-N 0 0 431.832 4.539 50 0 IJAARN COc1ccc(-c2noc(COC(=O)C3(c4ccc(Cl)cc4)CCC3)n2)c(OC)c1 ZINC000009959091 569575070 /nfs/dbraw/zinc/57/50/70/569575070.db2.gz WNUTWZWFWOZGND-UHFFFAOYSA-N 0 0 428.872 4.572 50 0 IJAARN CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000009959588 569575191 /nfs/dbraw/zinc/57/51/91/569575191.db2.gz ITDLQWAJPIZKGR-UHFFFAOYSA-N 0 0 446.503 4.953 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccsc32)cc1 ZINC000009970002 569576161 /nfs/dbraw/zinc/57/61/61/569576161.db2.gz AIBYYXOGYXKULE-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000009970115 569576169 /nfs/dbraw/zinc/57/61/69/569576169.db2.gz DITHDPUPAVOWPZ-UHFFFAOYSA-N 0 0 442.562 4.590 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000009982607 569576585 /nfs/dbraw/zinc/57/65/85/569576585.db2.gz ICOJOJXVWUIYQJ-UHFFFAOYSA-N 0 0 432.948 4.704 50 0 IJAARN COc1ccc(Br)cc1[C@H]1SCCN1S(=O)(=O)c1ccc(C)cc1C ZINC000010013854 569577136 /nfs/dbraw/zinc/57/71/36/569577136.db2.gz QYJXRZWPGBVEAR-GOSISDBHSA-N 0 0 442.400 4.511 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)CSC(c2ccccc2)c2ccccc2)n1 ZINC000010045491 569577512 /nfs/dbraw/zinc/57/75/12/569577512.db2.gz NXSDUFZJSKLGKV-UHFFFAOYSA-N 0 0 426.563 4.710 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn21)c1ccc(C)cc1 ZINC000010126602 569578022 /nfs/dbraw/zinc/57/80/22/569578022.db2.gz MXDADWCRPQNLMJ-JOCHJYFZSA-N 0 0 444.510 4.963 50 0 IJAARN O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1F ZINC000010166160 569578236 /nfs/dbraw/zinc/57/82/36/569578236.db2.gz QNGFMJDWZQVGQT-UHFFFAOYSA-N 0 0 448.438 4.628 50 0 IJAARN COc1cccc(OC)c1C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1Cl ZINC000010186539 569578370 /nfs/dbraw/zinc/57/83/70/569578370.db2.gz LKEFDCWWZDEKSF-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000010187667 569578642 /nfs/dbraw/zinc/57/86/42/569578642.db2.gz OTVFMCYRHHZFBD-UHFFFAOYSA-N 0 0 447.516 4.758 50 0 IJAARN CCc1cc(=O)oc2cc(OCc3nc(-c4cccc(Br)c4)no3)ccc12 ZINC000010199030 569578928 /nfs/dbraw/zinc/57/89/28/569578928.db2.gz ACYUVPAEAFPCHU-UHFFFAOYSA-N 0 0 427.254 4.747 50 0 IJAARN COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)cc(OC)c1OC ZINC000010232987 569579337 /nfs/dbraw/zinc/57/93/37/569579337.db2.gz BVSITTNUAADFAL-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000010253080 569579922 /nfs/dbraw/zinc/57/99/22/569579922.db2.gz JWGGOSOUJBABHC-UHFFFAOYSA-N 0 0 441.936 4.546 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1cccc(Br)c1 ZINC000010273854 569580274 /nfs/dbraw/zinc/58/02/74/569580274.db2.gz RWIBXKSINWLOHF-UHFFFAOYSA-N 0 0 448.320 4.945 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccc(C)cc4)no3)c(C)c2c1 ZINC000071761898 569580630 /nfs/dbraw/zinc/58/06/30/569580630.db2.gz UZJSDIAHMUVHAX-UHFFFAOYSA-N 0 0 425.510 4.797 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000010322113 569580972 /nfs/dbraw/zinc/58/09/72/569580972.db2.gz OWPSUGNUIITCBM-UHFFFAOYSA-N 0 0 430.533 4.554 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000010327563 569581006 /nfs/dbraw/zinc/58/10/06/569581006.db2.gz ZOUPBJANTFHAOF-UHFFFAOYSA-N 0 0 446.450 4.709 50 0 IJAARN Cc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)c1 ZINC000010337053 569581137 /nfs/dbraw/zinc/58/11/37/569581137.db2.gz RXRUOCLMAXQFQH-VXKWHMMOSA-N 0 0 428.883 4.590 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c4ncsc43)cc2)C1 ZINC000010337208 569581220 /nfs/dbraw/zinc/58/12/20/569581220.db2.gz HHIMISROODRPAN-ZDUSSCGKSA-N 0 0 449.985 4.623 50 0 IJAARN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccnn1Cc1ccccc1Cl ZINC000010348437 569581450 /nfs/dbraw/zinc/58/14/50/569581450.db2.gz DVCFDAWPZYTQRY-UHFFFAOYSA-N 0 0 426.851 4.729 50 0 IJAARN COc1ccc(-n2c(COc3ccc4c(c3)OCO4)nnc2SCc2ccccc2)cc1 ZINC000010382297 569581736 /nfs/dbraw/zinc/58/17/36/569581736.db2.gz YWXJSWAODKVGTC-UHFFFAOYSA-N 0 0 447.516 4.876 50 0 IJAARN CC[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1 ZINC000010423676 569582026 /nfs/dbraw/zinc/58/20/26/569582026.db2.gz HGCQGQAQDZKPNK-KRWDZBQOSA-N 0 0 429.973 4.648 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)CC1 ZINC000010446229 569582244 /nfs/dbraw/zinc/58/22/44/569582244.db2.gz AYYNIYRFTOKPGW-IHWFROFDSA-N 0 0 444.666 4.866 50 0 IJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000071844210 569582318 /nfs/dbraw/zinc/58/23/18/569582318.db2.gz LQAVQFOHVRVYFG-OIISXLGYSA-N 0 0 449.414 4.814 50 0 IJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000010482692 569582504 /nfs/dbraw/zinc/58/25/04/569582504.db2.gz YEZWFHQYLOROTJ-UHFFFAOYSA-N 0 0 439.515 4.690 50 0 IJAARN CCOC(=O)CCC(=O)N(Cc1ccccn1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099365 569585166 /nfs/dbraw/zinc/58/51/66/569585166.db2.gz MPCAPNBCOSFKQE-UHFFFAOYSA-N 0 0 437.443 4.587 50 0 IJAARN COc1cc(COCC2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)cc(OC)c1 ZINC000077099657 569585261 /nfs/dbraw/zinc/58/52/61/569585261.db2.gz ZJCJCJMOGFJQOP-BQYQJAHWSA-N 0 0 429.944 4.826 50 0 IJAARN O=C(c1ccc(-n2cccc2)cc1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077190944 569585932 /nfs/dbraw/zinc/58/59/32/569585932.db2.gz CRMIZOYOUIKSFT-UHFFFAOYSA-N 0 0 438.409 4.786 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(OC(F)(F)F)cc1 ZINC000077200770 569586571 /nfs/dbraw/zinc/58/65/71/569586571.db2.gz CFGOCTFDLHGRCL-UHFFFAOYSA-N 0 0 430.382 4.629 50 0 IJAARN Cn1c(=O)cc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000020280268 569587067 /nfs/dbraw/zinc/58/70/67/569587067.db2.gz BVKPPOSZBJBLPE-UHFFFAOYSA-N 0 0 440.996 4.765 50 0 IJAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c3OC[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033315205 569587452 /nfs/dbraw/zinc/58/74/52/569587452.db2.gz XAGMHADHCYQXBP-AREMUKBSSA-N 0 0 432.520 4.594 50 0 IJAARN Cc1cccc(CN2CC(=O)C(c3nc(-c4cccc(C(F)(F)F)c4)cs3)=C2N)c1 ZINC000034770058 569587629 /nfs/dbraw/zinc/58/76/29/569587629.db2.gz IVVCIFCMQLEBAH-UHFFFAOYSA-N 0 0 429.467 4.850 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(I)c1 ZINC000000629392 193862678 /nfs/dbraw/zinc/86/26/78/193862678.db2.gz CFSIMDQPWNRGQO-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN O=C(COC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc2ccccc2c1 ZINC000000644509 193869235 /nfs/dbraw/zinc/86/92/35/193869235.db2.gz WTIBWLHIHKZIOW-UHFFFAOYSA-N 0 0 437.245 4.748 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1Br ZINC000000646309 193870183 /nfs/dbraw/zinc/87/01/83/193870183.db2.gz HLGPKNDGIFKBOT-UHFFFAOYSA-N 0 0 449.526 4.891 50 0 IJAARN CC(C)c1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)cc2)cc1 ZINC000000653402 193873355 /nfs/dbraw/zinc/87/33/55/193873355.db2.gz CZNSKCQIFSPDNZ-QFIPXVFZSA-N 0 0 438.421 4.810 50 0 IJAARN O=C(/C=C/c1ccccc1)OC[C@H]1[C@H](COC(=O)/C=C/c2ccccc2)C1(Cl)Cl ZINC000006142450 193881906 /nfs/dbraw/zinc/88/19/06/193881906.db2.gz OPEOMUGBUBKGGU-SPHKIOCNSA-N 0 0 431.315 4.920 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000009834616 193901225 /nfs/dbraw/zinc/90/12/25/193901225.db2.gz OXTWBEXAWVSWQT-UHFFFAOYSA-N 0 0 449.463 4.654 50 0 IJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCc3ccccc3)n2n1 ZINC000009831114 193898479 /nfs/dbraw/zinc/89/84/79/193898479.db2.gz PQNUYVQOHGKOLW-UHFFFAOYSA-N 0 0 433.519 4.790 50 0 IJAARN COc1ccc(CN2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000054278160 193930227 /nfs/dbraw/zinc/93/02/27/193930227.db2.gz SHXVKUMVDBMDRC-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 aggregator,biogenic IJAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000096634932 132225793 /nfs/dbraw/zinc/22/57/93/132225793.db2.gz SKFMAMBEICAGCH-LFVJCYFKSA-N 0 0 441.487 4.684 50 0 IJAARN CCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc(OCC)c1OCC ZINC000000624265 132227783 /nfs/dbraw/zinc/22/77/83/132227783.db2.gz LRTQUXODBVAPFW-UHFFFAOYSA-N 0 0 448.947 4.625 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(OCC)c1 ZINC000000710667 132229643 /nfs/dbraw/zinc/22/96/43/132229643.db2.gz GOLSOZWYOHFSSJ-UHFFFAOYSA-N 0 0 435.520 4.892 50 0 IJAARN CN1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002335224 132252486 /nfs/dbraw/zinc/25/24/86/132252486.db2.gz QKZIFPMSEULUFJ-UHFFFAOYSA-N 0 0 445.592 4.510 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(c3ccccc3)CC2)cc1 ZINC000002698696 132256365 /nfs/dbraw/zinc/25/63/65/132256365.db2.gz GNOQGBRVLLMFPS-UHFFFAOYSA-N 0 0 443.572 4.703 50 0 IJAARN O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000002867775 132257840 /nfs/dbraw/zinc/25/78/40/132257840.db2.gz FDCALDHWTLPEDY-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000002875271 132258033 /nfs/dbraw/zinc/25/80/33/132258033.db2.gz RNFUCPOOSPDBPC-UHFFFAOYSA-N 0 0 441.597 4.847 50 0 IJAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1Cl ZINC000002878279 132258048 /nfs/dbraw/zinc/25/80/48/132258048.db2.gz NLAUWWLETIWXLJ-UHFFFAOYSA-N 0 0 439.899 4.583 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F ZINC000003023805 132260623 /nfs/dbraw/zinc/26/06/23/132260623.db2.gz DQPBIJDCSFTILE-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2oc1-c1ccccc1 ZINC000003435330 132265394 /nfs/dbraw/zinc/26/53/94/132265394.db2.gz ABNQKPBMIWFJGT-UHFFFAOYSA-N 0 0 440.499 4.857 50 0 IJAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000003431345 132265415 /nfs/dbraw/zinc/26/54/15/132265415.db2.gz RGWIILPJPMISLX-UHFFFAOYSA-N 0 0 428.536 4.980 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645351 132266935 /nfs/dbraw/zinc/26/69/35/132266935.db2.gz HMTXXTZVFFWEBF-UHFFFAOYSA-N 0 0 436.964 4.951 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000004676787 132272619 /nfs/dbraw/zinc/27/26/19/132272619.db2.gz JZHSBKKDQDXYPK-LFIBNONCSA-N 0 0 425.532 4.609 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)cc2C)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000008596869 132285336 /nfs/dbraw/zinc/28/53/36/132285336.db2.gz YJIWDIASHGBAEC-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN C[C@H](NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccccc1 ZINC000008602428 132286724 /nfs/dbraw/zinc/28/67/24/132286724.db2.gz OCGHKZBKSBSPQT-KRWDZBQOSA-N 0 0 432.549 4.646 50 0 IJAARN Cc1cc(OCC(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)ccc1Cl ZINC000008814640 132294730 /nfs/dbraw/zinc/29/47/30/132294730.db2.gz BGHDWDGJQNZYGK-UHFFFAOYSA-N 0 0 431.989 4.777 50 0 IJAARN Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000008899323 132297361 /nfs/dbraw/zinc/29/73/61/132297361.db2.gz OWBTXOJSTIVGIN-UHFFFAOYSA-N 0 0 439.563 4.950 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1C ZINC000008912710 132297557 /nfs/dbraw/zinc/29/75/57/132297557.db2.gz KEEIHIWGICOYNX-UHFFFAOYSA-N 0 0 434.609 4.866 50 0 IJAARN Fc1ccc(-c2nsc3c2ncnc3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000008995426 132300164 /nfs/dbraw/zinc/30/01/64/132300164.db2.gz RDUDXVDJLIDNEO-UHFFFAOYSA-N 0 0 425.920 4.872 50 0 IJAARN Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000009115465 132303601 /nfs/dbraw/zinc/30/36/01/132303601.db2.gz GBOKOJDAXOTQDB-SSEXGKCCSA-N 0 0 442.968 4.512 50 0 IJAARN CCN1CCN(c2nc(SC)nc3c4c5c(c(CC(C)C)nc4sc32)CCC5)CC1 ZINC000009210529 132308885 /nfs/dbraw/zinc/30/88/85/132308885.db2.gz CGKJIMNBQMJNSP-UHFFFAOYSA-N 0 0 441.670 4.791 50 0 IJAARN Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000009289296 132312735 /nfs/dbraw/zinc/31/27/35/132312735.db2.gz JIMPYTDOBVDIMV-UHFFFAOYSA-N 0 0 428.492 4.619 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4N4CCOCC4)cc3)o2)cc1 ZINC000009414938 132316221 /nfs/dbraw/zinc/31/62/21/132316221.db2.gz SSYQRZFQFVCQMV-UHFFFAOYSA-N 0 0 440.503 4.801 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C ZINC000009529549 132320616 /nfs/dbraw/zinc/32/06/16/132320616.db2.gz RWXIUMBIAROPIM-UHFFFAOYSA-N 0 0 436.581 4.860 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc(Cl)c1 ZINC000009569445 132321967 /nfs/dbraw/zinc/32/19/67/132321967.db2.gz QSYPTWUOQIHSLV-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN CC(C)[C@H](NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1cccs1 ZINC000009686335 132325835 /nfs/dbraw/zinc/32/58/35/132325835.db2.gz JGHQXACNGBCXNY-NRFANRHFSA-N 0 0 426.611 4.997 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009713827 132327113 /nfs/dbraw/zinc/32/71/13/132327113.db2.gz KWTXAUMVSYDKCW-KRWDZBQOSA-N 0 0 448.596 4.785 50 0 IJAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009727375 132327803 /nfs/dbraw/zinc/32/78/03/132327803.db2.gz QFKHDNHXRYDEQU-OAHLLOKOSA-N 0 0 443.598 4.853 50 0 IJAARN O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009851556 132330249 /nfs/dbraw/zinc/33/02/49/132330249.db2.gz WPZANCLVXOYCGF-UHFFFAOYSA-N 0 0 447.510 4.686 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000009883935 132330911 /nfs/dbraw/zinc/33/09/11/132330911.db2.gz XPYJGKMCJFVGOQ-UHFFFAOYSA-N 0 0 439.515 4.980 50 0 IJAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(COCC(F)(F)F)cc1 ZINC000009907213 132331233 /nfs/dbraw/zinc/33/12/33/132331233.db2.gz NYAWJYALNJFNBO-UHFFFAOYSA-N 0 0 428.838 4.508 50 0 IJAARN COc1c(Br)cc(Cl)cc1NCC(=O)N1CCSc2ccccc21 ZINC000010944899 132336834 /nfs/dbraw/zinc/33/68/34/132336834.db2.gz WBCPRNQQEICFTC-UHFFFAOYSA-N 0 0 427.751 4.662 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013113129 132344806 /nfs/dbraw/zinc/34/48/06/132344806.db2.gz JLLFJEQMFHXLAJ-ZDUSSCGKSA-N 0 0 428.838 4.601 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)C[C@@H]2O ZINC000013127844 132345458 /nfs/dbraw/zinc/34/54/58/132345458.db2.gz PPKCGYRFJHQKOM-KRWDZBQOSA-N 0 0 437.496 4.568 50 0 IJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c2)cs1 ZINC000013357973 132346501 /nfs/dbraw/zinc/34/65/01/132346501.db2.gz HKFUEADTNWXOQD-UHFFFAOYSA-N 0 0 441.622 4.555 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4c(F)cccc4F)ccc32)cc1 ZINC000013583708 132351096 /nfs/dbraw/zinc/35/10/96/132351096.db2.gz HZCFDNSDTKBBMK-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 ZINC000013610425 132351762 /nfs/dbraw/zinc/35/17/62/132351762.db2.gz UQRVHJNESZWYAF-UHFFFAOYSA-N 0 0 436.533 4.834 50 0 IJAARN Brc1ccc(-c2nc3ccccc3c(SCc3nnnn3C3CC3)n2)cc1 ZINC000012737255 518207713 /nfs/dbraw/zinc/20/77/13/518207713.db2.gz PNIOQDLFRKHGCB-UHFFFAOYSA-N 0 0 439.342 4.673 50 0 IJAARN CC(=O)c1c(C)cc(C)c(CN(C)CC(=O)Nc2ccc(Br)cc2C)c1C ZINC000012697881 518232312 /nfs/dbraw/zinc/23/23/12/518232312.db2.gz RLMZXXLZYOYPPN-UHFFFAOYSA-N 0 0 431.374 4.956 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014959082 518295309 /nfs/dbraw/zinc/29/53/09/518295309.db2.gz NHEUSUUYMWQDLX-GOSISDBHSA-N 0 0 427.472 4.558 50 0 IJAARN CC(=O)c1ccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000012382358 518355879 /nfs/dbraw/zinc/35/58/79/518355879.db2.gz PZKRNSAWEFCSFA-IWIPYMOSSA-N 0 0 446.503 4.927 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000012852901 518358865 /nfs/dbraw/zinc/35/88/65/518358865.db2.gz ADZYVWLUEHSAQW-UHFFFAOYSA-N 0 0 431.517 4.665 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NCc4ccc(F)cc4)[nH]c(=O)c23)C1 ZINC000021882554 518945023 /nfs/dbraw/zinc/94/50/23/518945023.db2.gz DUSOJCHPQLSVMN-OAHLLOKOSA-N 0 0 441.572 4.524 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1)C2=O ZINC000021852752 519007498 /nfs/dbraw/zinc/00/74/98/519007498.db2.gz WERRNDBGBZATGD-VWLOTQADSA-N 0 0 440.563 4.578 50 0 IJAARN CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000021991693 519384805 /nfs/dbraw/zinc/38/48/05/519384805.db2.gz HNQNCMNLDYVOGH-HOFKKMOUSA-N 0 0 443.547 4.510 50 0 IJAARN CC(C)C(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C(C)C ZINC000036030561 519454845 /nfs/dbraw/zinc/45/48/45/519454845.db2.gz HUOOCQORHKQYJQ-UHFFFAOYSA-N 0 0 445.629 4.755 50 0 IJAARN CC(=O)N1CCC(N(CCCOC(C)C)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020685596 519511282 /nfs/dbraw/zinc/51/12/82/519511282.db2.gz COSPMGGQPRLRBB-UHFFFAOYSA-N 0 0 445.551 4.530 50 0 IJAARN CC(C)CCOc1ccc(/C=C/C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)cc1 ZINC000020414151 519673090 /nfs/dbraw/zinc/67/30/90/519673090.db2.gz BOORODKJZKKQNW-MDWZMJQESA-N 0 0 431.536 4.810 50 0 IJAARN CC(=O)Nc1ccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 ZINC000012389500 519708663 /nfs/dbraw/zinc/70/86/63/519708663.db2.gz GUVHHRCHSXGZIH-UHFFFAOYSA-N 0 0 443.894 4.621 50 0 IJAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035978860 519710048 /nfs/dbraw/zinc/71/00/48/519710048.db2.gz CTGYHHLZBXRHJN-QFIPXVFZSA-N 0 0 448.567 4.978 50 0 IJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)C(C)(C)C)c1 ZINC000035947478 519712881 /nfs/dbraw/zinc/71/28/81/519712881.db2.gz AIWDQXQBMLNMNW-UHFFFAOYSA-N 0 0 442.579 4.997 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)cc1Cl ZINC000012737321 519721986 /nfs/dbraw/zinc/72/19/86/519721986.db2.gz ZXZXIWULFCCKDY-UHFFFAOYSA-N 0 0 429.933 4.557 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000012806765 519732893 /nfs/dbraw/zinc/73/28/93/519732893.db2.gz QSFUXSVPNAKNQV-UHFFFAOYSA-N 0 0 440.952 4.850 50 0 IJAARN CC(C)OCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000021934991 519764044 /nfs/dbraw/zinc/76/40/44/519764044.db2.gz GFQDWNLDDSPPPA-UHFFFAOYSA-N 0 0 428.330 4.604 50 0 IJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936035 519806416 /nfs/dbraw/zinc/80/64/16/519806416.db2.gz JNBSQYCIQZLEQW-UGSOOPFHSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C2=O ZINC000021852224 519833705 /nfs/dbraw/zinc/83/37/05/519833705.db2.gz OPQYJHDGPWHOFE-XMMPIXPASA-N 0 0 442.991 4.524 50 0 IJAARN CCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000035887688 519907778 /nfs/dbraw/zinc/90/77/78/519907778.db2.gz LCHOATWXJMJANS-UHFFFAOYSA-N 0 0 434.506 4.542 50 0 IJAARN CCCCC(=O)Nc1ccc2nc(SCc3cc(=O)n4ccsc4n3)sc2c1 ZINC000020983986 519915112 /nfs/dbraw/zinc/91/51/12/519915112.db2.gz IHKRQZZWDXUYTL-UHFFFAOYSA-N 0 0 430.580 4.787 50 0 IJAARN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012226402 520314857 /nfs/dbraw/zinc/31/48/57/520314857.db2.gz GRBBACHYWSFCLU-UHFFFAOYSA-N 0 0 432.933 4.772 50 0 IJAARN CCCCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1N ZINC000012378076 520331390 /nfs/dbraw/zinc/33/13/90/520331390.db2.gz SYCYNTCYMOQDHA-UHFFFAOYSA-N 0 0 425.583 4.646 50 0 IJAARN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccn2-c2nccs2)CC1 ZINC000012473613 520457731 /nfs/dbraw/zinc/45/77/31/520457731.db2.gz ATXKMDGZHMWWLQ-UHFFFAOYSA-N 0 0 439.581 4.548 50 0 IJAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012710296 520461851 /nfs/dbraw/zinc/46/18/51/520461851.db2.gz AQCQPXBUOGZSGK-INIZCTEOSA-N 0 0 442.478 4.842 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)C2CCCCC2)c1 ZINC000016613723 520478609 /nfs/dbraw/zinc/47/86/09/520478609.db2.gz NVGGXYGHSBAMSF-OAQYLSRUSA-N 0 0 441.597 4.892 50 0 IJAARN CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21 ZINC000012868561 520564664 /nfs/dbraw/zinc/56/46/64/520564664.db2.gz GCCAFQUPCJQFMP-SFHVURJKSA-N 0 0 442.762 4.771 50 0 IJAARN CCCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000016752596 520572328 /nfs/dbraw/zinc/57/23/28/520572328.db2.gz UWPUTVVPNFEUHG-QGZVFWFLSA-N 0 0 435.530 4.896 50 0 IJAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042207 520662307 /nfs/dbraw/zinc/66/23/07/520662307.db2.gz QRHWPBQKJHGUEX-NHCUHLMSSA-N 0 0 432.486 4.786 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)/C=C/c1ccc(OCc3cccnc3)cc1)O[C@@H](C)C2 ZINC000012536358 520790749 /nfs/dbraw/zinc/79/07/49/520790749.db2.gz HRIXWGNYNCTGLQ-BLRBJFNZSA-N 0 0 444.531 4.712 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1cc(C)ccc1C)CC2 ZINC000021043953 520799775 /nfs/dbraw/zinc/79/97/75/520799775.db2.gz PAOHCBDYBRWDST-NRFANRHFSA-N 0 0 440.540 4.795 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000004122004 534520343 /nfs/dbraw/zinc/52/03/43/534520343.db2.gz UBXINILVZFNEBT-UHFFFAOYSA-N 0 0 427.417 4.693 50 0 IJAARN CCCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1Cl ZINC000020624933 520846820 /nfs/dbraw/zinc/84/68/20/520846820.db2.gz ICNSEMMFOJSUAD-GOSISDBHSA-N 0 0 441.355 4.569 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 ZINC000012635481 520877801 /nfs/dbraw/zinc/87/78/01/520877801.db2.gz MZQYBYIYJSWRJM-INIZCTEOSA-N 0 0 438.553 4.905 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CN2C(=O)CCc3cc(Br)ccc32)c(C)c1 ZINC000015785397 520915825 /nfs/dbraw/zinc/91/58/25/520915825.db2.gz BYTMUZIZBQVXME-UHFFFAOYSA-N 0 0 444.373 4.522 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033068237 520920026 /nfs/dbraw/zinc/92/00/26/520920026.db2.gz XQEGXHGAKKWTGA-UHFFFAOYSA-N 0 0 449.894 4.578 50 0 IJAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000012554101 520921913 /nfs/dbraw/zinc/92/19/13/520921913.db2.gz JPVZIMHVYRLXCF-JKSUJKDBSA-N 0 0 442.560 4.791 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000021970721 520926108 /nfs/dbraw/zinc/92/61/08/520926108.db2.gz YNKQRVJNXXGGSI-UHFFFAOYSA-N 0 0 432.605 4.657 50 0 IJAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000035888301 520945126 /nfs/dbraw/zinc/94/51/26/520945126.db2.gz ACQOFYSOHSBMFG-FQEVSTJZSA-N 0 0 439.943 4.644 50 0 IJAARN CCOc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCCCC2)cc1OCC ZINC000020685197 520946692 /nfs/dbraw/zinc/94/66/92/520946692.db2.gz OKKCPCLQKOPKNU-SANMLTNESA-N 0 0 444.616 4.637 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020516804 520952307 /nfs/dbraw/zinc/95/23/07/520952307.db2.gz WQTXUNLJXUZOQM-UHFFFAOYSA-N 0 0 428.536 4.717 50 0 IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)CC1 ZINC000021808531 520953065 /nfs/dbraw/zinc/95/30/65/520953065.db2.gz IDRPGCIVZDGFBI-HGEUABKPSA-N 0 0 435.593 4.812 50 0 IJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858701 520967128 /nfs/dbraw/zinc/96/71/28/520967128.db2.gz FBXVRTWHZZEVEW-HHHXNRCGSA-N 0 0 447.579 4.617 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C1CC1 ZINC000036052027 521085522 /nfs/dbraw/zinc/08/55/22/521085522.db2.gz WKEKLHIXSFHSJW-UHFFFAOYSA-N 0 0 436.943 4.841 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)c1 ZINC000035527730 521219186 /nfs/dbraw/zinc/21/91/86/521219186.db2.gz KXKFIXINTGUCBH-HXUWFJFHSA-N 0 0 432.524 4.722 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC ZINC000020464190 521241267 /nfs/dbraw/zinc/24/12/67/521241267.db2.gz 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CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(OC)c2)c1C ZINC000021152490 521384433 /nfs/dbraw/zinc/38/44/33/521384433.db2.gz MATQTBWEWDCBHF-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2ccccc2F)c1C ZINC000015862510 521384507 /nfs/dbraw/zinc/38/45/07/521384507.db2.gz BOCJUSLRFWFDIO-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2cccc(F)c2)C2CCCCC2)c(C)n1C ZINC000036000596 521386472 /nfs/dbraw/zinc/38/64/72/521386472.db2.gz AYKQTKGXSZJFSQ-UHFFFAOYSA-N 0 0 442.531 4.616 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)c(Cl)c2C(=O)N(C)Cc1nn(CC)cc1Cl ZINC000020607743 521397052 /nfs/dbraw/zinc/39/70/52/521397052.db2.gz XTWFDYNRXYCFKL-UHFFFAOYSA-N 0 0 437.375 4.644 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccc(C)c(F)c1 ZINC000015680332 521412587 /nfs/dbraw/zinc/41/25/87/521412587.db2.gz OTSKWFOWZUPWKX-UHFFFAOYSA-N 0 0 445.516 4.541 50 0 IJAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)COc3ccccc3F)nc21 ZINC000022807919 521436925 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IJAARN CCOc1ccccc1[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(=O)CC ZINC000032997203 521580727 /nfs/dbraw/zinc/58/07/27/521580727.db2.gz RLZMXLLFQRHFLD-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)nc1C ZINC000035476095 521615453 /nfs/dbraw/zinc/61/54/53/521615453.db2.gz OBURRUDQLKOQOD-UHFFFAOYSA-N 0 0 431.539 4.533 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2c(C)cccc2C)C1 ZINC000033004216 521637662 /nfs/dbraw/zinc/63/76/62/521637662.db2.gz BHOOZUTZTQWULT-NRFANRHFSA-N 0 0 446.595 4.822 50 0 IJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)C(C)(C)C)c2)C(C(=O)OCC(C)C)=C1C ZINC000035710886 521700922 /nfs/dbraw/zinc/70/09/22/521700922.db2.gz SBIOWEBQQBVQMR-FQEVSTJZSA-N 0 0 429.561 4.621 50 0 IJAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nc2ccccc2c(=O)n1C1CC1 ZINC000018965069 521755215 /nfs/dbraw/zinc/75/52/15/521755215.db2.gz JAFOIIKTYYJRPY-UHFFFAOYSA-N 0 0 431.517 4.667 50 0 IJAARN CCc1cccc(NC(=O)Cn2nc3c4ccccc4n(Cc4ccccc4)cc-3c2=O)c1 ZINC000020936871 521756104 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COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)cc(OC)c1OC ZINC000012784936 522717736 /nfs/dbraw/zinc/71/77/36/522717736.db2.gz FADAVIPNKGZGNA-UHFFFAOYSA-N 0 0 433.464 4.785 50 0 IJAARN COc1cc(OC)c(OC)cc1CN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012582165 522820591 /nfs/dbraw/zinc/82/05/91/522820591.db2.gz OHONSTAIOAERGI-LJQANCHMSA-N 0 0 427.541 4.595 50 0 IJAARN COCc1ccc(C(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC)C2)o1 ZINC000012040829 522950860 /nfs/dbraw/zinc/95/08/60/522950860.db2.gz UZGHSEXSGMJFMW-UHFFFAOYSA-N 0 0 427.884 4.790 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1cccc(F)c1 ZINC000012419457 522961588 /nfs/dbraw/zinc/96/15/88/522961588.db2.gz WCSNOFXUZSABQV-LJQANCHMSA-N 0 0 445.446 4.696 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)CCC(=O)c1cccs1)oc1ccccc12 ZINC000009631203 523017725 /nfs/dbraw/zinc/01/77/25/523017725.db2.gz OEGGJYFITVDBLZ-UHFFFAOYSA-N 0 0 437.473 4.801 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(Br)o1)CC2 ZINC000012792418 523050847 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IJAARN COc1ccc(-c2nn(Cc3nc(-c4ccccc4C)oc3C)c(=O)c3noc(C)c32)cc1 ZINC000021883132 523246420 /nfs/dbraw/zinc/24/64/20/523246420.db2.gz KIOQDJAOBCVVJG-UHFFFAOYSA-N 0 0 442.475 4.689 50 0 IJAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012567410 523275961 /nfs/dbraw/zinc/27/59/61/523275961.db2.gz DPYIRJMBTOHGRK-UHFFFAOYSA-N 0 0 439.515 4.642 50 0 IJAARN COc1ccc(-n2c(C(C)(C)C)csc2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000252668903 523312454 /nfs/dbraw/zinc/31/24/54/523312454.db2.gz FWSBBOKKLZMYQH-UHFFFAOYSA-N 0 0 448.592 4.875 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(Br)cc2)cc1 ZINC000020892886 523345615 /nfs/dbraw/zinc/34/56/15/523345615.db2.gz WXNDDDASBCZTEC-IBGZPJMESA-N 0 0 444.354 4.727 50 0 IJAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000036616458 523345750 /nfs/dbraw/zinc/34/57/50/523345750.db2.gz BHNCJMRIBPNHTM-INIZCTEOSA-N 0 0 430.508 4.546 50 0 IJAARN COc1ccc(C=C2NC(=S)N(CC(C)C)C2=O)cc1COc1cccc2cccnc21 ZINC000020608102 523418244 /nfs/dbraw/zinc/41/82/44/523418244.db2.gz JTZNCRLBYJJRQO-MOSHPQCFSA-N 0 0 447.560 4.947 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH]nc2c1CCCC2 ZINC000012439849 523486121 /nfs/dbraw/zinc/48/61/21/523486121.db2.gz HMWCLRFMZHRHGB-UHFFFAOYSA-N 0 0 441.535 4.502 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1cc2cccc3c2n1C[C@H](C)S3 ZINC000020559838 523499139 /nfs/dbraw/zinc/49/91/39/523499139.db2.gz IGJYUFZRMGCCMW-LBPRGKRZSA-N 0 0 431.355 4.837 50 0 IJAARN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012112072 523615792 /nfs/dbraw/zinc/61/57/92/523615792.db2.gz BBRXNDUQOFFYEM-GOSISDBHSA-N 0 0 445.007 4.629 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cc1F ZINC000012449113 523634495 /nfs/dbraw/zinc/63/44/95/523634495.db2.gz PIKZCGGNFQTPOX-GOSISDBHSA-N 0 0 449.482 4.513 50 0 IJAARN COCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000035844850 523645278 /nfs/dbraw/zinc/64/52/78/523645278.db2.gz XZMZYQGAVDPYDK-UHFFFAOYSA-N 0 0 448.607 4.925 50 0 IJAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1=O ZINC000012785876 523746640 /nfs/dbraw/zinc/74/66/40/523746640.db2.gz XKJAWYCVPXDGBT-SANMLTNESA-N 0 0 443.503 4.583 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928475 523757099 /nfs/dbraw/zinc/75/70/99/523757099.db2.gz LHVFRPWNKFBPHB-RUZDIDTESA-N 0 0 447.560 4.792 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000021535970 523761377 /nfs/dbraw/zinc/76/13/77/523761377.db2.gz QIYBSRFCDAZLLI-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000015881008 523761898 /nfs/dbraw/zinc/76/18/98/523761898.db2.gz XWSDDUCZKTZFJL-UHFFFAOYSA-N 0 0 436.320 4.892 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000012639169 523792594 /nfs/dbraw/zinc/79/25/94/523792594.db2.gz LMIFHYKHAKFJRS-UHFFFAOYSA-N 0 0 434.496 4.972 50 0 IJAARN CN(C(=O)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000033050365 523840321 /nfs/dbraw/zinc/84/03/21/523840321.db2.gz ZOCIZILXXGCCOU-UHFFFAOYSA-N 0 0 448.523 4.569 50 0 IJAARN CCc1cc(Sc2ccccc2NC(=O)Cc2ccc(Cl)cc2)n2nc(C)nc2n1 ZINC000033257102 523842367 /nfs/dbraw/zinc/84/23/67/523842367.db2.gz BPRNMPKAOKIZJT-UHFFFAOYSA-N 0 0 437.956 4.981 50 0 IJAARN CCc1cc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)on1 ZINC000021719588 523843186 /nfs/dbraw/zinc/84/31/86/523843186.db2.gz LWYGXGFRYYAHDR-SFHVURJKSA-N 0 0 437.450 4.862 50 0 IJAARN CCc1ccc(-c2noc(CSCc3cc(=O)n4c5c(sc4n3)CCCC5)n2)cc1 ZINC000012935150 523864890 /nfs/dbraw/zinc/86/48/90/523864890.db2.gz BJYVNPJSBZAXPO-UHFFFAOYSA-N 0 0 438.578 4.681 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420886 523876933 /nfs/dbraw/zinc/87/69/33/523876933.db2.gz RPEACMNWVCLGBD-XMMPIXPASA-N 0 0 426.451 4.769 50 0 IJAARN COc1ccc(CC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1OC ZINC000020443704 523889798 /nfs/dbraw/zinc/88/97/98/523889798.db2.gz UBVDNSCQEDGIGP-UHFFFAOYSA-N 0 0 435.524 4.658 50 0 IJAARN COc1ccc(CC(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)cc1OC ZINC000012149766 523903045 /nfs/dbraw/zinc/90/30/45/523903045.db2.gz BINSDIBREXSVFG-GOSISDBHSA-N 0 0 443.952 4.748 50 0 IJAARN CCc1ccc(CN(C)C(=O)COC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1 ZINC000024765366 523918407 /nfs/dbraw/zinc/91/84/07/523918407.db2.gz FGEINSTZPIEVQW-UHFFFAOYSA-N 0 0 443.503 4.576 50 0 IJAARN COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1OC ZINC000012594121 523925267 /nfs/dbraw/zinc/92/52/67/523925267.db2.gz HOCKAXVUFXDCRB-OAQYLSRUSA-N 0 0 433.552 4.652 50 0 IJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Cc1cccs1 ZINC000035765128 523925434 /nfs/dbraw/zinc/92/54/34/523925434.db2.gz GGVMVQISZNDLCN-FQEVSTJZSA-N 0 0 438.593 4.782 50 0 IJAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccc(C)cc5)nn4cnc32)cc1OC ZINC000021801930 523985718 /nfs/dbraw/zinc/98/57/18/523985718.db2.gz WKYKZASKTJYWLC-UHFFFAOYSA-N 0 0 441.535 4.931 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2cccc(F)c2)C2CCCCC2)c1C ZINC000036005065 524022753 /nfs/dbraw/zinc/02/27/53/524022753.db2.gz DEUVBFISEZQDSE-INIZCTEOSA-N 0 0 428.504 4.604 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCC(C)C)C(=O)c2ccc(Cl)cc2)c1C ZINC000036005116 524023013 /nfs/dbraw/zinc/02/30/13/524023013.db2.gz SAQFHGOWWNQNPE-INIZCTEOSA-N 0 0 432.948 4.831 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC2CCCCC2)C(=O)c2cccs2)c1C ZINC000036004262 524023208 /nfs/dbraw/zinc/02/32/08/524023208.db2.gz MXERQMHJJMRTCU-INIZCTEOSA-N 0 0 430.570 4.774 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cc1F ZINC000012816709 524043177 /nfs/dbraw/zinc/04/31/77/524043177.db2.gz KZLUTCSKIFBMRW-UHFFFAOYSA-N 0 0 436.199 4.885 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(Cl)c2)cc1 ZINC000035527342 524064732 /nfs/dbraw/zinc/06/47/32/524064732.db2.gz WDYLZYSZRVNWTK-SANMLTNESA-N 0 0 448.950 4.622 50 0 IJAARN COc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000035429820 524068148 /nfs/dbraw/zinc/06/81/48/524068148.db2.gz KSARPAHPAPSDEY-UHFFFAOYSA-N 0 0 428.492 4.629 50 0 IJAARN COc1ccc(CN[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1OC ZINC000012795583 524090825 /nfs/dbraw/zinc/09/08/25/524090825.db2.gz RSKZMIHIBXQZJU-GFCCVEGCSA-N 0 0 427.551 4.581 50 0 IJAARN Cc1ccc(C)c(CN(C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c2ccc(C(C)C)cc2)c1 ZINC000021167269 524098451 /nfs/dbraw/zinc/09/84/51/524098451.db2.gz KEKWFCVCPLMPAE-YADHBBJMSA-N 0 0 428.623 4.702 50 0 IJAARN Cc1ccc(C)c(CN2c3ccccc3S(=O)(=O)N(c3cc(F)ccc3F)C2=O)c1 ZINC000012414795 524104325 /nfs/dbraw/zinc/10/43/25/524104325.db2.gz NHFIQCIDZAESSY-UHFFFAOYSA-N 0 0 428.460 4.917 50 0 IJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000020444257 524105383 /nfs/dbraw/zinc/10/53/83/524105383.db2.gz OYGQMYKXTNAMBO-UHFFFAOYSA-N 0 0 438.871 4.531 50 0 IJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)nc2)c1 ZINC000035513292 524110357 /nfs/dbraw/zinc/11/03/57/524110357.db2.gz ZEBAPDAYRCELLA-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCOC[C@H]4c4ccccc4)cc3)o2)c1 ZINC000078935862 524124619 /nfs/dbraw/zinc/12/46/19/524124619.db2.gz UMVTYRGGWUCGOA-QHCPKHFHSA-N 0 0 425.488 4.926 50 0 IJAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccccc4C)n3)o2)c1 ZINC000021721639 524128155 /nfs/dbraw/zinc/12/81/55/524128155.db2.gz UYHRIZOGZGWPTQ-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035399648 524138744 /nfs/dbraw/zinc/13/87/44/524138744.db2.gz HQLLFZWJXHUICH-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN Cc1cccc(-n2nc3nc(NCc4cccnc4)nc(-c4ccc(F)cc4)c3c2N)c1 ZINC000035930160 524147121 /nfs/dbraw/zinc/14/71/21/524147121.db2.gz ZGQBPCNXKROHCZ-UHFFFAOYSA-N 0 0 425.471 4.519 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000015865492 524151245 /nfs/dbraw/zinc/15/12/45/524151245.db2.gz LZLVNZGJPRRYJC-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccccc3Cl)C2=O)c1 ZINC000020735418 524152415 /nfs/dbraw/zinc/15/24/15/524152415.db2.gz NDUGDBCDRVRMJE-OEAKJJBVSA-N 0 0 432.907 4.731 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1OC ZINC000021801797 524164456 /nfs/dbraw/zinc/16/44/56/524164456.db2.gz BRFJQSLCKTUUPV-UHFFFAOYSA-N 0 0 447.926 4.946 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)c1OCc1ccc(Cl)cc1 ZINC000021788373 524186655 /nfs/dbraw/zinc/18/66/55/524186655.db2.gz JOQYTIAYQGVUKY-HXUWFJFHSA-N 0 0 429.929 4.734 50 0 IJAARN Cc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)c(C)s1 ZINC000035511547 524198727 /nfs/dbraw/zinc/19/87/27/524198727.db2.gz QMADSJMKGGNDKE-INIZCTEOSA-N 0 0 444.354 4.930 50 0 IJAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccco3)CC(C)C)no2)c(C)c1 ZINC000036015849 524209967 /nfs/dbraw/zinc/20/99/67/524209967.db2.gz JLXRTAWHOIPKKK-UHFFFAOYSA-N 0 0 437.540 4.665 50 0 IJAARN Cc1ccc(C)n1-c1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)N2CCCCC2)CC1 ZINC000021102689 524217162 /nfs/dbraw/zinc/21/71/62/524217162.db2.gz TXHONSYRWPIHPJ-UHFFFAOYSA-N 0 0 445.611 4.817 50 0 IJAARN Cc1ccc(C2=NN(C(=O)COC(=O)C3(c4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000021171921 524232478 /nfs/dbraw/zinc/23/24/78/524232478.db2.gz FBINHXPUBREVPA-QFIPXVFZSA-N 0 0 428.488 4.541 50 0 IJAARN COc1ccc(Cn2c3nnc(SCc4ccccc4C)n3c3ccsc3c2=O)cc1 ZINC000035529282 524260084 /nfs/dbraw/zinc/26/00/84/524260084.db2.gz QZPZEFWDADIEFB-UHFFFAOYSA-N 0 0 448.573 4.763 50 0 IJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(F)c4)c3c2=O)cc1 ZINC000035400632 524264403 /nfs/dbraw/zinc/26/44/03/524264403.db2.gz AWTJLRGJERKKFY-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000020384832 524266712 /nfs/dbraw/zinc/26/67/12/524266712.db2.gz YMYMSPRKVRJTSJ-BEFAXECRSA-N 0 0 438.597 4.809 50 0 IJAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000012342380 524279510 /nfs/dbraw/zinc/27/95/10/524279510.db2.gz VKDUGJXFNQIFII-JOCHJYFZSA-N 0 0 447.604 4.528 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328898 524282321 /nfs/dbraw/zinc/28/23/21/524282321.db2.gz ZAZKKQPSHVCDDO-UHFFFAOYSA-N 0 0 429.505 4.885 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533581 524283043 /nfs/dbraw/zinc/28/30/43/524283043.db2.gz UFNCKMPHDPGCLJ-ZDUSSCGKSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2cccc(F)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000012759877 524283615 /nfs/dbraw/zinc/28/36/15/524283615.db2.gz BVOFVBPVYDABHR-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Cl)ccc21 ZINC000035535271 524284692 /nfs/dbraw/zinc/28/46/92/524284692.db2.gz MFRHLQGMOHOROY-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012806883 524294640 /nfs/dbraw/zinc/29/46/40/524294640.db2.gz DURWVFHNKXECKT-KRWDZBQOSA-N 0 0 444.578 4.596 50 0 IJAARN COc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)n1 ZINC000012856620 524296679 /nfs/dbraw/zinc/29/66/79/524296679.db2.gz SQWDRVREHUZXQE-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN C[C@H](CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021810580 524311807 /nfs/dbraw/zinc/31/18/07/524311807.db2.gz CTYWEELMQMPOFA-DWXRJYCRSA-N 0 0 433.552 4.701 50 0 IJAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2NC1=O ZINC000032983670 524321301 /nfs/dbraw/zinc/32/13/01/524321301.db2.gz JMTJIHWDPFTMDH-XKZIYDEJSA-N 0 0 434.879 4.651 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000032985981 524350956 /nfs/dbraw/zinc/35/09/56/524350956.db2.gz LQJRGTPHGCSURK-KRWDZBQOSA-N 0 0 445.592 4.950 50 0 IJAARN Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)c2=O)c1 ZINC000020597828 524358103 /nfs/dbraw/zinc/35/81/03/524358103.db2.gz YBQMZILEPVYICE-UHFFFAOYSA-N 0 0 433.455 4.599 50 0 IJAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccccn3)cc2)c1 ZINC000034676021 524364726 /nfs/dbraw/zinc/36/47/26/524364726.db2.gz JEUBLWMAPCAVHN-UHFFFAOYSA-N 0 0 441.575 4.972 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3csc(C)n3)[C@@H]2c2ccccc2)cc1 ZINC000013126245 524388852 /nfs/dbraw/zinc/38/88/52/524388852.db2.gz NOAYQMHMCKNOCT-GGAORHGYSA-N 0 0 436.533 4.688 50 0 IJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035910939 524390526 /nfs/dbraw/zinc/39/05/26/524390526.db2.gz YJOFHQWVWFQCGT-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@@H]1C ZINC000012565316 524397254 /nfs/dbraw/zinc/39/72/54/524397254.db2.gz RWNYMRMYYVQYHZ-PNCHPQGNSA-N 0 0 449.526 4.776 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c[nH]nc2-c2cccs2)c(OC)c1 ZINC000022195823 524398731 /nfs/dbraw/zinc/39/87/31/524398731.db2.gz LDUOVHASBJNROU-QFIPXVFZSA-N 0 0 432.505 4.927 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2-c2cccs2)c(OC)c1 ZINC000022195826 524400879 /nfs/dbraw/zinc/40/08/79/524400879.db2.gz LDUOVHASBJNROU-JOCHJYFZSA-N 0 0 432.505 4.927 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(Cl)c(O)c(OC)c2)c(OC)c1 ZINC000024034240 524401146 /nfs/dbraw/zinc/40/11/46/524401146.db2.gz LEDSENQGCIHDFZ-JOCHJYFZSA-N 0 0 440.883 4.843 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Cc2ccccc2)o1 ZINC000035765789 524420663 /nfs/dbraw/zinc/42/06/63/524420663.db2.gz ZKIYQFZITOHWPZ-UHFFFAOYSA-N 0 0 432.564 4.844 50 0 IJAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc32)cc1 ZINC000035377439 524428096 /nfs/dbraw/zinc/42/80/96/524428096.db2.gz XQSALUOIFDSKQV-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 ZINC000021100514 524429641 /nfs/dbraw/zinc/42/96/41/524429641.db2.gz PPUKGBWDWHWNTQ-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)Oc1ccc(Cl)cc1 ZINC000041155685 524456936 /nfs/dbraw/zinc/45/69/36/524456936.db2.gz RUEVFSBRJNRMBD-GFCCVEGCSA-N 0 0 435.705 4.955 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1Cl ZINC000035398519 524473377 /nfs/dbraw/zinc/47/33/77/524473377.db2.gz XFGDGPCRTBBTGL-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN COc1ccccc1CNC(=O)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033035009 524482835 /nfs/dbraw/zinc/48/28/35/524482835.db2.gz IASWKXZIHAOXQM-XMMPIXPASA-N 0 0 428.532 4.645 50 0 biogenic IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)c(C)c1 ZINC000012440954 524483938 /nfs/dbraw/zinc/48/39/38/524483938.db2.gz JIAOJLAZNVNBAI-HXUWFJFHSA-N 0 0 436.552 4.624 50 0 IJAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)NC2CCCCCC2)cc1OC ZINC000012690461 524507781 /nfs/dbraw/zinc/50/77/81/524507781.db2.gz YPCTVKOGYUHTHC-UHFFFAOYSA-N 0 0 442.581 4.887 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)cc1 ZINC000021726902 524515610 /nfs/dbraw/zinc/51/56/10/524515610.db2.gz HVACMTNHGJGQES-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3cccc(C)c3)c2c1=O ZINC000035400355 524522728 /nfs/dbraw/zinc/52/27/28/524522728.db2.gz CRODNYRJASYNJJ-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000034927520 524533337 /nfs/dbraw/zinc/53/33/37/524533337.db2.gz YLBQULJLKIXZNZ-UHFFFAOYSA-N 0 0 433.936 4.892 50 0 IJAARN COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1OC ZINC000035446770 524542356 /nfs/dbraw/zinc/54/23/56/524542356.db2.gz CQMMOENDYANUAX-UHFFFAOYSA-N 0 0 432.524 4.752 50 0 biogenic IJAARN Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000012577625 524563106 /nfs/dbraw/zinc/56/31/06/524563106.db2.gz GKDYBRQWIPFPGS-UHFFFAOYSA-N 0 0 442.563 4.576 50 0 IJAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1 ZINC000016349666 524589981 /nfs/dbraw/zinc/58/99/81/524589981.db2.gz KLKGFAAGYCJKRY-UDWIEESQSA-N 0 0 449.894 4.748 50 0 IJAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4cccc(Cl)c4)no3)c2=O)c1 ZINC000012415509 524608324 /nfs/dbraw/zinc/60/83/24/524608324.db2.gz QDNSQCCOQGJYIV-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c(OC)c1 ZINC000035684568 524613343 /nfs/dbraw/zinc/61/33/43/524613343.db2.gz VDFIKXBKEHJYKH-QGZVFWFLSA-N 0 0 440.887 4.701 50 0 IJAARN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000078937673 524621732 /nfs/dbraw/zinc/62/17/32/524621732.db2.gz ICULMWXSNVDWAV-NRFANRHFSA-N 0 0 446.551 4.629 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1CN1CCn2c3ccccc3nc2C1 ZINC000021800246 524633993 /nfs/dbraw/zinc/63/39/93/524633993.db2.gz WQZJUDAFUVMFSH-UHFFFAOYSA-N 0 0 446.938 4.966 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(C)cc4C)CC3=O)c2)c1 ZINC000033308637 524662759 /nfs/dbraw/zinc/66/27/59/524662759.db2.gz UFOIFKVVHKDLMN-NRFANRHFSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(F)cc4C)CC3=O)c2)c1 ZINC000033308648 524663145 /nfs/dbraw/zinc/66/31/45/524663145.db2.gz YDUCCQKGHWYJKN-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1C ZINC000002929468 534804091 /nfs/dbraw/zinc/80/40/91/534804091.db2.gz NOHPJIHYRDPRCI-UHFFFAOYSA-N 0 0 429.564 4.632 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)c2cc(C3CC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021852284 524731965 /nfs/dbraw/zinc/73/19/65/524731965.db2.gz QMDYLSQLUUTMSY-XMMPIXPASA-N 0 0 440.975 4.590 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022834115 524741676 /nfs/dbraw/zinc/74/16/76/524741676.db2.gz ZORKQYVSDBXIOQ-UHFFFAOYSA-N 0 0 441.000 4.528 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057668 524755365 /nfs/dbraw/zinc/75/53/65/524755365.db2.gz SOSXCGCYWWLKEM-LBPRGKRZSA-N 0 0 443.290 4.866 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c1 ZINC000012784741 524852193 /nfs/dbraw/zinc/85/21/93/524852193.db2.gz JIMJQNPXPAHBHW-UHFFFAOYSA-N 0 0 429.567 4.627 50 0 IJAARN Cc1cccc([C@@H]2[C@H](C(=O)NCCc3cccs3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924175 524857052 /nfs/dbraw/zinc/85/70/52/524857052.db2.gz ZPPFZUNMZIKKNW-DNQXCXABSA-N 0 0 430.573 4.859 50 0 IJAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000012500571 524899081 /nfs/dbraw/zinc/89/90/81/524899081.db2.gz XEWAZZHINXVIHO-LVXARBLLSA-N 0 0 444.487 4.717 50 0 IJAARN Cc1ccc(N(Cc2ccccc2)C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000012852726 524900543 /nfs/dbraw/zinc/90/05/43/524900543.db2.gz SUYPZZDCYPSSLG-CCLHPLFOSA-N 0 0 447.579 4.665 50 0 IJAARN Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCc3ccccc3Br)o2)c1 ZINC000020514551 524907778 /nfs/dbraw/zinc/90/77/78/524907778.db2.gz VGVVRENAYPALHN-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000012500575 524918308 /nfs/dbraw/zinc/91/83/08/524918308.db2.gz XEWAZZHINXVIHO-HFZDXXHNSA-N 0 0 444.487 4.717 50 0 IJAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000012500583 524918449 /nfs/dbraw/zinc/91/84/49/524918449.db2.gz XEWAZZHINXVIHO-QFQXNSOFSA-N 0 0 444.487 4.717 50 0 IJAARN C[C@H](NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000020465983 524925502 /nfs/dbraw/zinc/92/55/02/524925502.db2.gz KKVXVOLYVOJDHD-KSKOPSKJSA-N 0 0 430.976 4.567 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C ZINC000021811266 524931912 /nfs/dbraw/zinc/93/19/12/524931912.db2.gz WFUONMGBGYEQAI-ADLZZSLISA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(N2C3=C(C(=O)OC3)[C@H](c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 ZINC000035143115 524934846 /nfs/dbraw/zinc/93/48/46/524934846.db2.gz ODJCSOPAPWZKHB-QHCPKHFHSA-N 0 0 425.484 4.905 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)OCc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2=O)cc1 ZINC000012700745 524985674 /nfs/dbraw/zinc/98/56/74/524985674.db2.gz CCALJBFTPNIMOV-GOSISDBHSA-N 0 0 433.504 4.630 50 0 IJAARN COc1ccc(Oc2cc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)ccc2OC)cc1 ZINC000012674892 524991871 /nfs/dbraw/zinc/99/18/71/524991871.db2.gz ZEESSNIINPOSKO-UHFFFAOYSA-N 0 0 440.540 4.719 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)nc21 ZINC000035590014 524998433 /nfs/dbraw/zinc/99/84/33/524998433.db2.gz NFEIFXATUZXXHF-GOSISDBHSA-N 0 0 442.544 4.586 50 0 IJAARN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000011880785 525006773 /nfs/dbraw/zinc/00/67/73/525006773.db2.gz JZVCXTWIMQUGOF-FQEVSTJZSA-N 0 0 428.536 4.532 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(Br)c1 ZINC000012750211 525041556 /nfs/dbraw/zinc/04/15/56/525041556.db2.gz AVBDHVUGALHSBQ-UHFFFAOYSA-N 0 0 446.370 4.506 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)c(Cl)c1 ZINC000021643610 525073131 /nfs/dbraw/zinc/07/31/31/525073131.db2.gz JBLPBKYPTTVZMN-IBGZPJMESA-N 0 0 440.956 4.635 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253502017 525094277 /nfs/dbraw/zinc/09/42/77/525094277.db2.gz WOJKRRDDERNLBU-GFZDIGGRSA-N 0 0 430.629 4.973 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021869089 525135108 /nfs/dbraw/zinc/13/51/08/525135108.db2.gz HWUBQJDTAWRWPN-NDEPHWFRSA-N 0 0 441.575 4.937 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000036617059 525141938 /nfs/dbraw/zinc/14/19/38/525141938.db2.gz FTRWZONZLWVVCH-MRXNPFEDSA-N 0 0 430.508 4.546 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1F ZINC000033067814 525186413 /nfs/dbraw/zinc/18/64/13/525186413.db2.gz FPVHMHHJGBHJAB-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)n1C ZINC000012509068 525187912 /nfs/dbraw/zinc/18/79/12/525187912.db2.gz WWRVPMKWDPDAND-AWEZNQCLSA-N 0 0 434.487 4.926 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1cccs1 ZINC000021863088 525198233 /nfs/dbraw/zinc/19/82/33/525198233.db2.gz WRZRQZKKPWSYEW-XMMPIXPASA-N 0 0 437.565 4.673 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000015672759 525202304 /nfs/dbraw/zinc/20/23/04/525202304.db2.gz UTXREYITJQVVOI-XMMPIXPASA-N 0 0 439.581 4.940 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000012535940 525227083 /nfs/dbraw/zinc/22/70/83/525227083.db2.gz SCQJKUZYHGPTIK-WBMJQRKESA-N 0 0 426.510 4.705 50 0 IJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(Cc2ccc(C)cc2)n1 ZINC000020608215 525241815 /nfs/dbraw/zinc/24/18/15/525241815.db2.gz KIFCDVFJJNRBOB-UHFFFAOYSA-N 0 0 433.459 4.768 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000017045193 525245134 /nfs/dbraw/zinc/24/51/34/525245134.db2.gz CHNRCJLFBJYUQP-UHFFFAOYSA-N 0 0 436.324 4.979 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033106845 525249593 /nfs/dbraw/zinc/24/95/93/525249593.db2.gz XJUJBOVKZRYMEY-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)nn1Cc1ccccc1F ZINC000020616393 525254021 /nfs/dbraw/zinc/25/40/21/525254021.db2.gz NJGWAMZGKYLNOS-UHFFFAOYSA-N 0 0 434.471 4.815 50 0 IJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl ZINC000015777188 525267170 /nfs/dbraw/zinc/26/71/70/525267170.db2.gz RFKGTDLOTHLXMQ-OAHLLOKOSA-N 0 0 434.751 4.547 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c(OC)c1 ZINC000020892593 525270176 /nfs/dbraw/zinc/27/01/76/525270176.db2.gz SXWIPWHELBCPSQ-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)cc1C ZINC000012604899 525299130 /nfs/dbraw/zinc/29/91/30/525299130.db2.gz GSCCWQJABJKACZ-UHFFFAOYSA-N 0 0 432.929 4.623 50 0 IJAARN C[C@@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000000843093 525329519 /nfs/dbraw/zinc/32/95/19/525329519.db2.gz FINRMUJBVRWREE-QGZVFWFLSA-N 0 0 442.968 4.797 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)CC2)cc1 ZINC000009611675 534850696 /nfs/dbraw/zinc/85/06/96/534850696.db2.gz SJKRWMTXYGQHKM-UHFFFAOYSA-N 0 0 447.966 4.932 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccc(C)cc5)c4c3)CC2)cc1 ZINC000009529656 534850751 /nfs/dbraw/zinc/85/07/51/534850751.db2.gz OHQWKLMRLKZJKY-UHFFFAOYSA-N 0 0 439.515 4.968 50 0 IJAARN COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)cc1 ZINC000012697856 525369383 /nfs/dbraw/zinc/36/93/83/525369383.db2.gz KLQZOXXBTAZQSK-NTKDMRAZSA-N 0 0 434.923 4.607 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000012883585 525378799 /nfs/dbraw/zinc/37/87/99/525378799.db2.gz SHRUWSOWOQEZTE-KDURUIRLSA-N 0 0 442.625 4.581 50 0 IJAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762141 525408058 /nfs/dbraw/zinc/40/80/58/525408058.db2.gz DFRYKEXPDOPMOQ-HXUWFJFHSA-N 0 0 432.948 4.922 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000012391674 525444461 /nfs/dbraw/zinc/44/44/61/525444461.db2.gz NPKTYCHBIBAKCB-UHFFFAOYSA-N 0 0 439.559 4.841 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccccc4Cl)cc3)nc12 ZINC000033067874 525460985 /nfs/dbraw/zinc/46/09/85/525460985.db2.gz NJGUAFTZBBWSHP-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccn2c(CN(C)Cc3nc4ccccc4s3)c(C(=O)N3CCCCC3)nc12 ZINC000020914500 525462696 /nfs/dbraw/zinc/46/26/96/525462696.db2.gz UGOGRGYATNPGMQ-UHFFFAOYSA-N 0 0 433.581 4.511 50 0 IJAARN Cc1ccc(Oc2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2ccccc2O3)cc1C ZINC000035511631 525472528 /nfs/dbraw/zinc/47/25/28/525472528.db2.gz CIOQFFDGYAKGQS-UHFFFAOYSA-N 0 0 438.505 4.704 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3cccc(C)c3)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020597821 525513415 /nfs/dbraw/zinc/51/34/15/525513415.db2.gz DPXORGPHLUUZSQ-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2nccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035979892 525513395 /nfs/dbraw/zinc/51/33/95/525513395.db2.gz BGXKRDQHFAVWKV-UHFFFAOYSA-N 0 0 441.572 4.903 50 0 IJAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000012773111 525573672 /nfs/dbraw/zinc/57/36/72/525573672.db2.gz JXCXINXZNOJOJF-GFCCVEGCSA-N 0 0 429.851 4.584 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2N(C)C1=O ZINC000041155974 525612790 /nfs/dbraw/zinc/61/27/90/525612790.db2.gz CKKBQSUNMCESAQ-HNNXBMFYSA-N 0 0 436.895 4.915 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(Cc2ccco2)C3=O)o1 ZINC000015675713 525619085 /nfs/dbraw/zinc/61/90/85/525619085.db2.gz SYEIDURCESLGKH-VWLOTQADSA-N 0 0 437.540 4.780 50 0 IJAARN Cc1c(C(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)sc2ncnc(NC3CC3)c12 ZINC000012209490 525636857 /nfs/dbraw/zinc/63/68/57/525636857.db2.gz CVGDLWLDXCZWSB-HXUWFJFHSA-N 0 0 429.549 4.797 50 0 IJAARN Cc1ccc(SCC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021099854 525648804 /nfs/dbraw/zinc/64/88/04/525648804.db2.gz NTFVCHKMQJJCDC-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012753061 525655002 /nfs/dbraw/zinc/65/50/02/525655002.db2.gz ZXYBVEGQMCKOOR-LBPRGKRZSA-N 0 0 441.837 4.805 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)c(F)c3)sc2c1 ZINC000021661152 525656649 /nfs/dbraw/zinc/65/66/49/525656649.db2.gz FQNWHBATHUUOSH-CYBMUJFWSA-N 0 0 426.448 4.551 50 0 IJAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(OC)c4)cc3)sc2c1 ZINC000033169192 525657068 /nfs/dbraw/zinc/65/70/68/525657068.db2.gz UUQLKESROBTVOZ-UHFFFAOYSA-N 0 0 426.519 4.781 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3c(F)cccc3F)sc2c1 ZINC000021661150 525657627 /nfs/dbraw/zinc/65/76/27/525657627.db2.gz WMQIIWXHAHCFTJ-GFCCVEGCSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4ccc(C)cc4C)cc3)cc(=O)n2o1 ZINC000035429514 525674718 /nfs/dbraw/zinc/67/47/18/525674718.db2.gz AWFSFHSOVCVUKT-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN COc1cccc(/C=C\C(=O)OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000034868567 525769876 /nfs/dbraw/zinc/76/98/76/525769876.db2.gz DARXXZVIPHWAQB-KTKRTIGZSA-N 0 0 428.897 4.667 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000017053270 525781677 /nfs/dbraw/zinc/78/16/77/525781677.db2.gz JJESUQVMAOUUHI-UHFFFAOYSA-N 0 0 434.970 4.883 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1F ZINC000021526600 525794317 /nfs/dbraw/zinc/79/43/17/525794317.db2.gz WXBQWDJMEBXTRE-VWLOTQADSA-N 0 0 437.515 4.627 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000021809607 525795947 /nfs/dbraw/zinc/79/59/47/525795947.db2.gz GANLCJGIEKIBJQ-VWLOTQADSA-N 0 0 435.593 4.957 50 0 IJAARN Cc1c(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017198135 525823029 /nfs/dbraw/zinc/82/30/29/525823029.db2.gz OFUNBJVVEDQBIX-FQEVSTJZSA-N 0 0 434.348 4.570 50 0 IJAARN Cc1ccc(-c2nc3cccnc3n2CCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000021155453 525826952 /nfs/dbraw/zinc/82/69/52/525826952.db2.gz BBWRYFAWWCRSAU-UHFFFAOYSA-N 0 0 448.592 4.899 50 0 IJAARN COc1cccc(C(=O)Nc2ccc3nc(C)n(-c4ccc(Cl)cc4)c(=O)c3c2)c1OC ZINC000022500079 525833874 /nfs/dbraw/zinc/83/38/74/525833874.db2.gz CUZXGPGXQHURHE-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COc1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)c1OC ZINC000033307253 525836436 /nfs/dbraw/zinc/83/64/36/525836436.db2.gz NQSRSFLGYCFBBV-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5ccsc5)CC4)cc3)o2)cc1 ZINC000013128424 525843522 /nfs/dbraw/zinc/84/35/22/525843522.db2.gz FWYLUQDKDMQWBG-UHFFFAOYSA-N 0 0 444.560 4.732 50 0 IJAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4cc(C)cc(C)c4)n3)o2)cc1 ZINC000021721562 525857612 /nfs/dbraw/zinc/85/76/12/525857612.db2.gz PGYXHNAXUUXJCE-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN C[C@H](OC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(=O)N(C)Cc1ccccc1 ZINC000069529896 525878358 /nfs/dbraw/zinc/87/83/58/525878358.db2.gz WGHKATBAGNUMBI-NBGIEHNGSA-N 0 0 441.531 4.584 50 0 IJAARN C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NC1CCCC1 ZINC000012529684 525883284 /nfs/dbraw/zinc/88/32/84/525883284.db2.gz TXESCXLZZZOBKC-TUQDCPSNSA-N 0 0 435.549 4.605 50 0 IJAARN C[C@@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000022016924 525887886 /nfs/dbraw/zinc/88/78/86/525887886.db2.gz JEEMENUHYUKSBC-MRXNPFEDSA-N 0 0 447.516 4.968 50 0 IJAARN C[C@@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 ZINC000012676357 525888981 /nfs/dbraw/zinc/88/89/81/525888981.db2.gz MJMWZSMSZZYKIX-SNVBAGLBSA-N 0 0 448.913 4.898 50 0 IJAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3cccs3)c(-c3cccs3)s1)CS2 ZINC000023682283 525910198 /nfs/dbraw/zinc/91/01/98/525910198.db2.gz YXPHDTQYUODABZ-NSPYISDASA-N 0 0 447.632 4.993 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1Cl)c1nn2c(nc3ccccc3c2=O)s1 ZINC000017100762 525917557 /nfs/dbraw/zinc/91/75/57/525917557.db2.gz RTTPNMXVDBIPBZ-SECBINFHSA-N 0 0 436.718 4.860 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2=O)cc1Cl ZINC000033128158 525930473 /nfs/dbraw/zinc/93/04/73/525930473.db2.gz JKSPDBIUYZSVKI-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN C[C@H](SC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021937555 525971651 /nfs/dbraw/zinc/97/16/51/525971651.db2.gz WEVNMHQDPIUHSZ-HRAATJIYSA-N 0 0 440.528 4.778 50 0 IJAARN COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C)c2)c1 ZINC000021362187 526002942 /nfs/dbraw/zinc/00/29/42/526002942.db2.gz SWHQHDNBMFKMSS-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN C[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCc1cccs1 ZINC000021674857 526004174 /nfs/dbraw/zinc/00/41/74/526004174.db2.gz RLHPFXIPVVESKX-LBPRGKRZSA-N 0 0 427.576 4.510 50 0 IJAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012556801 526005523 /nfs/dbraw/zinc/00/55/23/526005523.db2.gz IKSBCORUWDIPJM-NSHDSACASA-N 0 0 446.326 4.687 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012592099 526010346 /nfs/dbraw/zinc/01/03/46/526010346.db2.gz ZSWWCBCJBWRTPH-QGZVFWFLSA-N 0 0 444.564 4.515 50 0 IJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000012784332 526010813 /nfs/dbraw/zinc/01/08/13/526010813.db2.gz KHFUXUSPVZCMDR-JTQLQIEISA-N 0 0 438.340 4.618 50 0 IJAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccc(F)cc1F ZINC000022020042 526015454 /nfs/dbraw/zinc/01/54/54/526015454.db2.gz JKSCYJIZCOJBDG-JTQLQIEISA-N 0 0 426.539 4.652 50 0 IJAARN Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC(c4nc5ccccc5o4)CC3)c2C)no1 ZINC000012689124 526069816 /nfs/dbraw/zinc/06/98/16/526069816.db2.gz YTJQFSCUVKRHBR-CMDGGOBGSA-N 0 0 430.508 4.951 50 0 IJAARN C[C@H](C(=O)NCc1ccc(F)cc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113946 526077312 /nfs/dbraw/zinc/07/73/12/526077312.db2.gz INMZSKVJVDKVNV-HNNXBMFYSA-N 0 0 441.934 4.765 50 0 IJAARN COc1cccc(F)c1-c1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c(C)s1 ZINC000011866048 526114373 /nfs/dbraw/zinc/11/43/73/526114373.db2.gz KTOUAQOOQGSYSZ-UHFFFAOYSA-N 0 0 432.473 4.544 50 0 IJAARN COc1cccc(N(CCCCO)C(=S)NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000012292121 526136863 /nfs/dbraw/zinc/13/68/63/526136863.db2.gz UMUNJHKABHSXCX-UHFFFAOYSA-N 0 0 448.997 4.857 50 0 IJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)N(C)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042273 526138605 /nfs/dbraw/zinc/13/86/05/526138605.db2.gz OCCBWBBYLWRFQA-SFTDATJTSA-N 0 0 432.486 4.736 50 0 IJAARN CSc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)no1 ZINC000012301789 526180069 /nfs/dbraw/zinc/18/00/69/526180069.db2.gz FDFFEDMRUDFOBB-LJQANCHMSA-N 0 0 438.549 4.797 50 0 IJAARN Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C(C)C ZINC000021151164 526197286 /nfs/dbraw/zinc/19/72/86/526197286.db2.gz QVRLPWKQPAAKED-QHCPKHFHSA-N 0 0 437.543 4.835 50 0 IJAARN CSc1nccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCCc2cccs2)C3)n1 ZINC000012150466 526221825 /nfs/dbraw/zinc/22/18/25/526221825.db2.gz RPLUXBQYAMXILK-INIZCTEOSA-N 0 0 443.569 4.509 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000001069488 526226723 /nfs/dbraw/zinc/22/67/23/526226723.db2.gz LQBBWIXJZHDAAW-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN Cc1ccc2cc(COC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)c(Cl)nc2c1 ZINC000021467729 526232754 /nfs/dbraw/zinc/23/27/54/526232754.db2.gz CWVKGBKFZBPCQQ-SFHVURJKSA-N 0 0 432.307 4.693 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3nc(C)ccc3c2=O)cc1 ZINC000020579588 526241581 /nfs/dbraw/zinc/24/15/81/526241581.db2.gz XBDXAVSVSGGRDG-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCn3cnc4ccccc43)cc12 ZINC000016502533 526290653 /nfs/dbraw/zinc/29/06/53/526290653.db2.gz CHFLTANDEVMMQQ-UHFFFAOYSA-N 0 0 447.539 4.763 50 0 IJAARN O=C(C1CCC1)N1CCOc2c(cc(-c3cccnc3)cc2OCCc2cccs2)C1 ZINC000012247736 526293814 /nfs/dbraw/zinc/29/38/14/526293814.db2.gz PAGAKLUKBVCESP-UHFFFAOYSA-N 0 0 434.561 4.953 50 0 IJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)n2)o1 ZINC000023460418 526315110 /nfs/dbraw/zinc/31/51/10/526315110.db2.gz KUDHMHJLDYDGRR-NRFANRHFSA-N 0 0 441.535 4.946 50 0 IJAARN O=C(NCCSc1ccccc1)c1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000022694410 526374952 /nfs/dbraw/zinc/37/49/52/526374952.db2.gz LTEQEJLQTHIIDR-UHFFFAOYSA-N 0 0 436.602 4.731 50 0 IJAARN S=c1oc(-c2ccc(Cl)cc2)nn1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022918053 526388675 /nfs/dbraw/zinc/38/86/75/526388675.db2.gz LVMSOWGAYCWZSD-UHFFFAOYSA-N 0 0 435.380 4.955 50 0 IJAARN O=C(CCC1CCCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000012128443 526408896 /nfs/dbraw/zinc/40/88/96/526408896.db2.gz YQOZKYURKUNXJY-UHFFFAOYSA-N 0 0 431.540 4.799 50 0 IJAARN O=C(CCCN1CCCC1=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000012471662 526433473 /nfs/dbraw/zinc/43/34/73/526433473.db2.gz QNLCABIGMROIKX-VWLOTQADSA-N 0 0 435.955 4.698 50 0 IJAARN O=C([C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000012593753 526453011 /nfs/dbraw/zinc/45/30/11/526453011.db2.gz OSHIMQLJFGSJSI-QFIPXVFZSA-N 0 0 441.560 4.785 50 0 IJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(Br)cc1 ZINC000033025529 526461302 /nfs/dbraw/zinc/46/13/02/526461302.db2.gz QKWCSBJNMSACCW-UHFFFAOYSA-N 0 0 428.334 4.673 50 0 IJAARN Cc1noc(C(C)C)c1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000012797016 526465074 /nfs/dbraw/zinc/46/50/74/526465074.db2.gz SQBQHKXQVMSULV-UHFFFAOYSA-N 0 0 449.916 4.519 50 0 IJAARN Cc1noc(C)c1CN(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C ZINC000012801617 526499837 /nfs/dbraw/zinc/49/98/37/526499837.db2.gz KIWRKLHOVMEOTM-UHFFFAOYSA-N 0 0 448.567 4.605 50 0 IJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(F)cc4Cl)c(C)n3)c2)no1 ZINC000033275296 526566016 /nfs/dbraw/zinc/56/60/16/526566016.db2.gz NTMPLDBZVKUBOY-UHFFFAOYSA-N 0 0 425.851 4.892 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000012824914 526572991 /nfs/dbraw/zinc/57/29/91/526572991.db2.gz ZQRBJYSQJDXAEG-HXUWFJFHSA-N 0 0 441.984 4.575 50 0 IJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000022906970 526580785 /nfs/dbraw/zinc/58/07/85/526580785.db2.gz HCUQJFFUWOTNOM-HXUWFJFHSA-N 0 0 425.326 4.572 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711897 526602259 /nfs/dbraw/zinc/60/22/59/526602259.db2.gz XNYMRQAJCQATPD-MRXNPFEDSA-N 0 0 430.476 4.576 50 0 IJAARN Cc1noc(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000023374044 526623083 /nfs/dbraw/zinc/62/30/83/526623083.db2.gz AEGRHNGBADXILZ-VAWYXSNFSA-N 0 0 426.432 4.734 50 0 IJAARN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000012430824 526651545 /nfs/dbraw/zinc/65/15/45/526651545.db2.gz KGHLTNORMIBJOF-GOSISDBHSA-N 0 0 433.508 4.937 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399478 526661795 /nfs/dbraw/zinc/66/17/95/526661795.db2.gz BVIKOVSWPMNGDF-UHFFFAOYSA-N 0 0 440.316 4.936 50 0 biogenic IJAARN O=C(c1ccc(Br)o1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399459 526662498 /nfs/dbraw/zinc/66/24/98/526662498.db2.gz UXGKGALEHSGOQO-UHFFFAOYSA-N 0 0 430.277 4.529 50 0 biogenic IJAARN O=C(NCc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1ccccc1 ZINC000036041285 526673485 /nfs/dbraw/zinc/67/34/85/526673485.db2.gz PRDBZPGXQMHAFL-DHIUTWEWSA-N 0 0 436.914 4.651 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(-c4ccc(F)cc4)n3)ccc21)N1CCCCCC1 ZINC000035460602 526682049 /nfs/dbraw/zinc/68/20/49/526682049.db2.gz LNFSTJKSDSNCPW-UHFFFAOYSA-N 0 0 433.487 4.685 50 0 IJAARN O=C(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000035553261 526686228 /nfs/dbraw/zinc/68/62/28/526686228.db2.gz GUFNPFIUQPSZHW-UHFFFAOYSA-N 0 0 440.906 4.759 50 0 IJAARN O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000012847889 526713371 /nfs/dbraw/zinc/71/33/71/526713371.db2.gz ZWODNPHQKVUBFN-MUUNZHRXSA-N 0 0 436.511 4.614 50 0 IJAARN O=C(NCc1cccc(F)c1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034709520 526718682 /nfs/dbraw/zinc/71/86/82/526718682.db2.gz UXPQOQFYTBYTQJ-FGZHOGPDSA-N 0 0 434.486 4.527 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000012458909 526728208 /nfs/dbraw/zinc/72/82/08/526728208.db2.gz SKFFRVPZCBMXKX-INIZCTEOSA-N 0 0 439.899 4.522 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccc(F)cc3)no2)c1C ZINC000033296863 526731042 /nfs/dbraw/zinc/73/10/42/526731042.db2.gz TVSOKPQKTKMKPV-UHFFFAOYSA-N 0 0 430.443 4.763 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000012876023 526745393 /nfs/dbraw/zinc/74/53/93/526745393.db2.gz MKWRQFLLKVOXEU-UHFFFAOYSA-N 0 0 435.376 4.970 50 0 IJAARN O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000012327789 526754758 /nfs/dbraw/zinc/75/47/58/526754758.db2.gz RCWXZAYOLDAQIP-AWEZNQCLSA-N 0 0 439.865 4.648 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccccc4Br)C3)c2c1C ZINC000032960207 526790750 /nfs/dbraw/zinc/79/07/50/526790750.db2.gz YAXFLENEYBCYMH-OAHLLOKOSA-N 0 0 443.345 4.766 50 0 IJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4Br)C3)c2c1C ZINC000032959969 526794589 /nfs/dbraw/zinc/79/45/89/526794589.db2.gz DXQYYOCIYKVOLJ-OAHLLOKOSA-N 0 0 443.345 4.766 50 0 IJAARN O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012772521 526825391 /nfs/dbraw/zinc/82/53/91/526825391.db2.gz VGIUEHJBUVTLJR-OAHLLOKOSA-N 0 0 433.327 4.991 50 0 IJAARN O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012772516 526826233 /nfs/dbraw/zinc/82/62/33/526826233.db2.gz VGIUEHJBUVTLJR-HNNXBMFYSA-N 0 0 433.327 4.991 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000024742225 526841890 /nfs/dbraw/zinc/84/18/90/526841890.db2.gz UXXLSXUWWFNLDF-UHFFFAOYSA-N 0 0 429.879 4.770 50 0 IJAARN Cc1sc(NC(=O)CSc2nnc(COc3ccccc3)o2)nc1-c1ccccc1 ZINC000017198098 526882006 /nfs/dbraw/zinc/88/20/06/526882006.db2.gz WMMCZFWLBRVZBD-UHFFFAOYSA-N 0 0 438.534 4.811 50 0 IJAARN Cc1sc2[nH]c(CN(C)CC(=O)Nc3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012812803 526891099 /nfs/dbraw/zinc/89/10/99/526891099.db2.gz QBOXHNFMHBNQJN-UHFFFAOYSA-N 0 0 446.576 4.647 50 0 IJAARN Cc1sc2ncn(CC(=O)N(Cc3ccccc3F)C3CC3)c(=O)c2c1-c1ccccc1 ZINC000013128374 526897154 /nfs/dbraw/zinc/89/71/54/526897154.db2.gz INXMIHUKYUOMDM-UHFFFAOYSA-N 0 0 447.535 4.764 50 0 IJAARN O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCN(c2ccccc2F)CC1 ZINC000015679068 526914509 /nfs/dbraw/zinc/91/45/09/526914509.db2.gz SSTJEQYWKQZRDI-UHFFFAOYSA-N 0 0 436.506 4.517 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035482975 526914672 /nfs/dbraw/zinc/91/46/72/526914672.db2.gz LMNNCYAPBKXFQC-NZQKXSOJSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(c1nc2sccn2c1CN1CCCC[C@@H]1c1nccs1)N1CCCCCCC1 ZINC000012445941 526918321 /nfs/dbraw/zinc/91/83/21/526918321.db2.gz SZWWIEONGAJXSU-QGZVFWFLSA-N 0 0 443.642 4.986 50 0 IJAARN O=C1C(=Cc2cccc(Br)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000021936845 526945914 /nfs/dbraw/zinc/94/59/14/526945914.db2.gz STPMGALSMKXCHB-NTEUORMPSA-N 0 0 443.244 4.610 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000021038069 526953335 /nfs/dbraw/zinc/95/33/35/526953335.db2.gz XCENCOLCUCGWGI-NRFANRHFSA-N 0 0 437.858 4.814 50 0 IJAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000024638159 526972030 /nfs/dbraw/zinc/97/20/30/526972030.db2.gz JKKMXQNVBWDUSY-UHFFFAOYSA-N 0 0 448.862 4.716 50 0 IJAARN O=C1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000012376376 527018647 /nfs/dbraw/zinc/01/86/47/527018647.db2.gz IBFGYAGBYFIGTB-JOCHJYFZSA-N 0 0 449.348 4.783 50 0 IJAARN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cc4c(cc3Cl)OCO4)N3CCC[C@@]123 ZINC000012094538 527037562 /nfs/dbraw/zinc/03/75/62/527037562.db2.gz CNWGMFAKTIIFIJ-FOMLIJIXSA-N 0 0 445.346 4.660 50 0 IJAARN O=C1N(Cc2c(F)cccc2Cl)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000015868365 527038049 /nfs/dbraw/zinc/03/80/49/527038049.db2.gz UXFPJEHWCIDDSA-UHFFFAOYSA-N 0 0 448.878 4.949 50 0 IJAARN Cn1c(CCc2ccc(NC(=O)c3n[nH]c4c3COc3ccccc3-4)cc2)nc2ccccc21 ZINC000035528835 527050285 /nfs/dbraw/zinc/05/02/85/527050285.db2.gz XYVJWIOLXXOTLI-UHFFFAOYSA-N 0 0 449.514 4.893 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccc2c(c1)OCCCO2 ZINC000012688704 527074974 /nfs/dbraw/zinc/07/49/74/527074974.db2.gz OJKKMASUKNUQKK-UHFFFAOYSA-N 0 0 446.532 4.898 50 0 IJAARN Cn1c(S[C@@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1Br ZINC000020731550 527089161 /nfs/dbraw/zinc/08/91/61/527089161.db2.gz FGSJZYZIDGNSSW-MRXNPFEDSA-N 0 0 429.343 4.940 50 0 IJAARN O=C(Nc1cc(F)ccc1F)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166939 527127339 /nfs/dbraw/zinc/12/73/39/527127339.db2.gz LSJULLFLIHMVBE-UHFFFAOYSA-N 0 0 425.865 4.886 50 0 IJAARN O=C(Nc1cc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)ccc1F)C1CCCCC1 ZINC000095369428 527128735 /nfs/dbraw/zinc/12/87/35/527128735.db2.gz IIWLLAIASFMDON-HNNXBMFYSA-N 0 0 429.458 4.557 50 0 IJAARN O=C(Nc1ccc(-c2nc(CN3CCOCC3)cs2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012374737 527140443 /nfs/dbraw/zinc/14/04/43/527140443.db2.gz YCYMBZCRTPEZFE-UHFFFAOYSA-N 0 0 437.609 4.797 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012507073 527141250 /nfs/dbraw/zinc/14/12/50/527141250.db2.gz XPLTXPKHPIJCEV-LJQANCHMSA-N 0 0 442.494 4.860 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012779693 527153659 /nfs/dbraw/zinc/15/36/59/527153659.db2.gz PZWRODQHEJZHGP-LLVKDONJSA-N 0 0 431.183 4.672 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767767 527159641 /nfs/dbraw/zinc/15/96/41/527159641.db2.gz FGQGNGJNAZPTEZ-UHFFFAOYSA-N 0 0 444.285 4.577 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998812 527203340 /nfs/dbraw/zinc/20/33/40/527203340.db2.gz JDYWNLLOELVAIC-UHFFFAOYSA-N 0 0 435.455 4.914 50 0 IJAARN Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn21)CCN(Cc1ccccc1)C3 ZINC000020567132 527208624 /nfs/dbraw/zinc/20/86/24/527208624.db2.gz YADGKDVXELBAQK-UHFFFAOYSA-N 0 0 427.533 4.578 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1cccnc1SCC(F)(F)F ZINC000022522639 527219977 /nfs/dbraw/zinc/21/99/77/527219977.db2.gz OHGFLKKSWNNFIO-UHFFFAOYSA-N 0 0 438.212 4.593 50 0 IJAARN O=S(=O)(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000022767520 527226905 /nfs/dbraw/zinc/22/69/05/527226905.db2.gz LLYKLSRTZVYOIG-XMMPIXPASA-N 0 0 448.613 4.979 50 0 IJAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012740905 527233690 /nfs/dbraw/zinc/23/36/90/527233690.db2.gz IJDUKKVFORUUMO-UHFFFAOYSA-N 0 0 428.529 4.781 50 0 IJAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000012593870 527270888 /nfs/dbraw/zinc/27/08/88/527270888.db2.gz FRGFAQXHIOQFOM-UHFFFAOYSA-N 0 0 430.835 4.738 50 0 IJAARN NS(=O)(=O)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)c(Cl)cc1Cl ZINC000022472285 527305246 /nfs/dbraw/zinc/30/52/46/527305246.db2.gz BNBHXANVXRERLZ-UHFFFAOYSA-N 0 0 436.316 4.587 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(I)cc1 ZINC000012791590 527335460 /nfs/dbraw/zinc/33/54/60/527335460.db2.gz PFBAHSRUXVZBIO-UHFFFAOYSA-N 0 0 426.304 4.657 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885213 527342700 /nfs/dbraw/zinc/34/27/00/527342700.db2.gz AIPSMKOSCIGCKT-MRXNPFEDSA-N 0 0 436.899 4.649 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000035483390 527352670 /nfs/dbraw/zinc/35/26/70/527352670.db2.gz OGFMFMOBCVTXFS-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022703973 527355823 /nfs/dbraw/zinc/35/58/23/527355823.db2.gz OFMVGFHHUKNBDT-UHFFFAOYSA-N 0 0 428.539 4.739 50 0 IJAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)N(Cc1ccc(F)cc1)C1CC1 ZINC000022471663 527356306 /nfs/dbraw/zinc/35/63/06/527356306.db2.gz RNQCGFDGRIFSKY-UHFFFAOYSA-N 0 0 429.495 4.946 50 0 IJAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCCO3)c1)C1CCCCC1 ZINC000035927145 527373568 /nfs/dbraw/zinc/37/35/68/527373568.db2.gz JUCWOEIXNJBUBJ-XMMPIXPASA-N 0 0 438.549 4.755 50 0 IJAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)s1 ZINC000033273070 527401583 /nfs/dbraw/zinc/40/15/83/527401583.db2.gz FYNGOPNZGXRMFV-UHFFFAOYSA-N 0 0 441.944 4.855 50 0 IJAARN O=C(Nc1ccccc1I)c1cccc(OCc2cscn2)c1 ZINC000012756778 527424888 /nfs/dbraw/zinc/42/48/88/527424888.db2.gz FEVGULYPDZDBCU-UHFFFAOYSA-N 0 0 436.274 4.579 50 0 IJAARN O=c1/c(=C/c2cccc(Oc3ccccc3)c2)sc2nc(/C=C/c3ccc(F)cc3)nn12 ZINC000016742054 527431629 /nfs/dbraw/zinc/43/16/29/527431629.db2.gz BYVUEUMHBYKMAS-CEFCJMCMSA-N 0 0 441.487 4.801 50 0 IJAARN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCCC1)nc2-c1ccccc1 ZINC000035929533 527436224 /nfs/dbraw/zinc/43/62/24/527436224.db2.gz MQDLMYBIPNHKDT-UHFFFAOYSA-N 0 0 425.323 4.972 50 0 IJAARN O=c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)[nH]c2sc(-c3ccccc3)cc21 ZINC000022385849 527436383 /nfs/dbraw/zinc/43/63/83/527436383.db2.gz BAIWJDOZHFTHPU-KRWDZBQOSA-N 0 0 437.590 4.894 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1cccc(F)c1 ZINC000012544380 527452923 /nfs/dbraw/zinc/45/29/23/527452923.db2.gz RTVDFOCZLJOWHE-DEOSSOPVSA-N 0 0 429.451 4.743 50 0 IJAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1CC1CCCCC1 ZINC000012614035 527454770 /nfs/dbraw/zinc/45/47/70/527454770.db2.gz QMCBSHCBXADDIE-UHFFFAOYSA-N 0 0 429.611 4.599 50 0 IJAARN O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)Nc1ccccc1Cl ZINC000011842114 527460245 /nfs/dbraw/zinc/46/02/45/527460245.db2.gz UNAKFERYIDHLTN-UHFFFAOYSA-N 0 0 427.936 4.844 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)CCCCc1ccc(Br)cc1)c1ccccc1 ZINC000040131871 527462927 /nfs/dbraw/zinc/46/29/27/527462927.db2.gz KTYIZMNEZPYWDD-OAQYLSRUSA-N 0 0 426.358 4.801 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(Cl)cc1 ZINC000012603196 527463188 /nfs/dbraw/zinc/46/31/88/527463188.db2.gz QKGQCJGKGFGBOU-GOSISDBHSA-N 0 0 428.970 4.707 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccc(F)cc3)nnc2n1Cc1ccc(F)cc1 ZINC000035529360 527472881 /nfs/dbraw/zinc/47/28/81/527472881.db2.gz SUEQBAYRJVERPU-UHFFFAOYSA-N 0 0 440.500 4.725 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012822647 527518796 /nfs/dbraw/zinc/51/87/96/527518796.db2.gz ZBTAWJPNQORTNK-KRWDZBQOSA-N 0 0 429.542 4.568 50 0 IJAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cccnc1N1CCOCC1 ZINC000021436814 527519109 /nfs/dbraw/zinc/51/91/09/527519109.db2.gz JKJRZGPTACEPPL-UHFFFAOYSA-N 0 0 449.363 4.525 50 0 IJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cnn(Cc4cccc(Cl)c4)c3)sc21 ZINC000020616174 527549996 /nfs/dbraw/zinc/54/99/96/527549996.db2.gz MNXPWZGYXCOZDP-UHFFFAOYSA-N 0 0 439.850 4.804 50 0 IJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000021660870 527571610 /nfs/dbraw/zinc/57/16/10/527571610.db2.gz NIVHENHXAPTBDJ-CYBMUJFWSA-N 0 0 441.260 4.698 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000024665619 527618635 /nfs/dbraw/zinc/61/86/35/527618635.db2.gz GECOUYZMBDATLD-UHFFFAOYSA-N 0 0 441.575 4.944 50 0 IJAARN O=C(/C=C/c1cccs1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1 ZINC000012154385 527640495 /nfs/dbraw/zinc/64/04/95/527640495.db2.gz IDDMSPXMBGHDKW-GLCJEOIMSA-N 0 0 434.561 4.801 50 0 IJAARN O=C(NCCCCOc1ccc(F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012392946 527655026 /nfs/dbraw/zinc/65/50/26/527655026.db2.gz QNEIHICTRXUBKA-UHFFFAOYSA-N 0 0 433.483 4.641 50 0 IJAARN O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012324305 527656705 /nfs/dbraw/zinc/65/67/05/527656705.db2.gz OEOFXWYVABCJCA-RUZDIDTESA-N 0 0 429.495 4.922 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)c12 ZINC000012916677 527682970 /nfs/dbraw/zinc/68/29/70/527682970.db2.gz QXBYWNNRHQQPLJ-UHFFFAOYSA-N 0 0 430.386 4.730 50 0 IJAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc2n1CCCCC2 ZINC000006097385 535430422 /nfs/dbraw/zinc/43/04/22/535430422.db2.gz YBYPTVAOHIEYSH-UHFFFAOYSA-N 0 0 426.586 4.724 50 0 IJAARN CCOc1ccccc1S(=O)(=O)[N-]c1cc(-c2nc3cccnc3s2)ccc1C ZINC000009278566 555507232 /nfs/dbraw/zinc/50/72/32/555507232.db2.gz BIJCVQOQZBXTBF-UHFFFAOYSA-N 0 0 425.535 4.866 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000629185 555513974 /nfs/dbraw/zinc/51/39/74/555513974.db2.gz MFMXEJUGFRMYEP-HSZRJFAPSA-N 0 0 441.574 4.711 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(C)c1C ZINC000000641276 555518716 /nfs/dbraw/zinc/51/87/16/555518716.db2.gz RPMIVBLCIZUEHD-HSZRJFAPSA-N 0 0 431.561 4.897 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000000657117 555525412 /nfs/dbraw/zinc/52/54/12/555525412.db2.gz ZDKAJJFWMYTLPH-SDNWHVSQSA-N 0 0 442.581 4.884 50 0 IJAARN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000666098 555528600 /nfs/dbraw/zinc/52/86/00/555528600.db2.gz AQMPGXYZXMZQRP-WOJBJXKFSA-N 0 0 436.577 4.536 50 0 IJAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000000676763 555534903 /nfs/dbraw/zinc/53/49/03/555534903.db2.gz JSUBLPTYXSFJPT-UHFFFAOYSA-N 0 0 448.169 4.956 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NCCC1=CCCCC1 ZINC000000682926 555538214 /nfs/dbraw/zinc/53/82/14/555538214.db2.gz DPEJLGJMCYQPNE-GFCCVEGCSA-N 0 0 431.168 4.986 50 0 IJAARN Cc1cccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000000683439 555538941 /nfs/dbraw/zinc/53/89/41/555538941.db2.gz DHPAVEBEWFJCDK-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 ZINC000000702595 555543369 /nfs/dbraw/zinc/54/33/69/555543369.db2.gz DUWXFCRCQGCZDQ-QGZVFWFLSA-N 0 0 427.353 4.843 50 0 IJAARN COc1ccccc1-c1nn(CNc2ccc(I)cc2)c(=S)o1 ZINC000000712242 555547398 /nfs/dbraw/zinc/54/73/98/555547398.db2.gz ZCHGLYQYLRNGOT-UHFFFAOYSA-N 0 0 439.278 4.555 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000725069 555551366 /nfs/dbraw/zinc/55/13/66/555551366.db2.gz NCAABRXUPXTMRJ-MRXNPFEDSA-N 0 0 442.755 4.846 50 0 IJAARN COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCC2)o1 ZINC000000730275 555552878 /nfs/dbraw/zinc/55/28/78/555552878.db2.gz DLMFBWTXRMXNMH-UHFFFAOYSA-N 0 0 432.929 4.827 50 0 IJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)cc1 ZINC000000752793 555553613 /nfs/dbraw/zinc/55/36/13/555553613.db2.gz GBYUIYLYSPXSIP-UHFFFAOYSA-N 0 0 430.439 4.525 50 0 IJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000812087 555560829 /nfs/dbraw/zinc/56/08/29/555560829.db2.gz LRFOTRBQNMVNAS-UHFFFAOYSA-N 0 0 428.872 4.828 50 0 IJAARN O=C(CS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 ZINC000000821698 555564164 /nfs/dbraw/zinc/56/41/64/555564164.db2.gz CWEWLZOPBOOXFN-HNNXBMFYSA-N 0 0 443.739 4.651 50 0 IJAARN C[C@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000000843092 555568422 /nfs/dbraw/zinc/56/84/22/555568422.db2.gz FINRMUJBVRWREE-KRWDZBQOSA-N 0 0 442.968 4.797 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000000851743 555570658 /nfs/dbraw/zinc/57/06/58/555570658.db2.gz BAXHEPJYWWOAIG-UHFFFAOYSA-N 0 0 440.455 4.727 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865895 555573449 /nfs/dbraw/zinc/57/34/49/555573449.db2.gz FDYAFRSSEFXQOM-AAEUAGOBSA-N 0 0 441.866 4.583 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C ZINC000000892279 555579764 /nfs/dbraw/zinc/57/97/64/555579764.db2.gz AXGCPRVLDAGTPW-UHFFFAOYSA-N 0 0 444.004 4.936 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCOCC2)C1 ZINC000000920980 555584659 /nfs/dbraw/zinc/58/46/59/555584659.db2.gz YVITWFPGYARKRX-QGZVFWFLSA-N 0 0 426.582 4.624 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Br ZINC000000943524 555587384 /nfs/dbraw/zinc/58/73/84/555587384.db2.gz CMLOHJTVWQUJLP-FNORWQNLSA-N 0 0 426.694 4.780 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)OC1CCCCC1 ZINC000000952349 555589326 /nfs/dbraw/zinc/58/93/26/555589326.db2.gz INAMPPNCPHKAAS-UHFFFAOYSA-N 0 0 447.354 4.763 50 0 IJAARN CC(C)(C)C(=O)NC(=S)Nc1cccc2c(NC(=S)NC(=O)C(C)(C)C)cccc12 ZINC000000980639 555593347 /nfs/dbraw/zinc/59/33/47/555593347.db2.gz RQDVTJQTKDTNCN-UHFFFAOYSA-N 0 0 444.626 4.558 50 0 IJAARN Cc1cccc(-n2c(SCC(N)=O)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000000985183 555594421 /nfs/dbraw/zinc/59/44/21/555594421.db2.gz FYCUEJKWVXAIAE-UHFFFAOYSA-N 0 0 445.588 4.543 50 0 biogenic IJAARN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Br)cc4)cc3n2)cc1 ZINC000000989779 555595535 /nfs/dbraw/zinc/59/55/35/555595535.db2.gz NMNPDNUAGVPGBK-UHFFFAOYSA-N 0 0 437.297 4.509 50 0 IJAARN O=C(OC1CCCCC1)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000000990543 555595951 /nfs/dbraw/zinc/59/59/51/555595951.db2.gz DWWGIHOEIYTBTR-UHFFFAOYSA-N 0 0 428.282 4.739 50 0 IJAARN C[C@@H]1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@H](C)C1 ZINC000000999552 555599909 /nfs/dbraw/zinc/59/99/09/555599909.db2.gz IGRYFWZVAXSJIS-ZIAGYGMSSA-N 0 0 428.458 4.774 50 0 IJAARN CC(C)CNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000000999606 555600250 /nfs/dbraw/zinc/60/02/50/555600250.db2.gz AKMGOLQNAPHUMG-HUUCEWRRSA-N 0 0 445.283 4.692 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 ZINC000001006524 555601080 /nfs/dbraw/zinc/60/10/80/555601080.db2.gz GAEMLRXMPZUPHB-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C(=O)OCC)c1C ZINC000001009448 555601691 /nfs/dbraw/zinc/60/16/91/555601691.db2.gz KWZQKZOPUGFUBB-GWCFXTLKSA-N 0 0 448.368 4.940 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4c(C)nc5ccccc54)c3n2)cc1 ZINC000001012077 555601905 /nfs/dbraw/zinc/60/19/05/555601905.db2.gz QWAKTJJSFGCUDE-UHFFFAOYSA-N 0 0 433.418 4.689 50 0 IJAARN Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001012547 555602222 /nfs/dbraw/zinc/60/22/22/555602222.db2.gz WOLMICSOHSUYLF-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1ccc2c(c1)COCO2 ZINC000001030957 555605628 /nfs/dbraw/zinc/60/56/28/555605628.db2.gz SBTYEBJEKXRQBP-UHFFFAOYSA-N 0 0 449.937 4.662 50 0 IJAARN Cc1cc(C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)ccc1Cl ZINC000001043139 555610129 /nfs/dbraw/zinc/61/01/29/555610129.db2.gz VSJOSNCHEGKMKO-UHFFFAOYSA-N 0 0 428.876 4.597 50 0 IJAARN CCOc1ccccc1C(=O)NC(Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F ZINC000001044154 555610699 /nfs/dbraw/zinc/61/06/99/555610699.db2.gz GGSGGGCPGIMLIS-UHFFFAOYSA-N 0 0 436.352 4.757 50 0 IJAARN Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 ZINC000001047884 555611478 /nfs/dbraw/zinc/61/14/78/555611478.db2.gz LKWDNMHYFQBXNK-UHFFFAOYSA-N 0 0 443.592 4.871 50 0 IJAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000001052920 555613600 /nfs/dbraw/zinc/61/36/00/555613600.db2.gz MEILBPKNWUNKKU-UHFFFAOYSA-N 0 0 440.502 4.577 50 0 IJAARN CC(C)C[C@@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000001061881 555616665 /nfs/dbraw/zinc/61/66/65/555616665.db2.gz GDEZANJLINCVFP-KRWDZBQOSA-N 0 0 445.548 4.601 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c(C)c3)nn12 ZINC000001064991 555617877 /nfs/dbraw/zinc/61/78/77/555617877.db2.gz LIPPIURMHJEVPY-UHFFFAOYSA-N 0 0 441.944 4.919 50 0 IJAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OCc4ccc(C)cc4)c(C)c3C(=O)C2)c1 ZINC000001069530 555620246 /nfs/dbraw/zinc/62/02/46/555620246.db2.gz SFJCTUBRPUQOHP-GOSISDBHSA-N 0 0 433.504 4.918 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)NCCc3ccccc3OC)c3ccccc3n2)c1 ZINC000001073556 555622593 /nfs/dbraw/zinc/62/25/93/555622593.db2.gz PYZXKWZLHXRPIM-UHFFFAOYSA-N 0 0 442.515 4.900 50 0 IJAARN CCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001103599 555629038 /nfs/dbraw/zinc/62/90/38/555629038.db2.gz OUCNWRIFAZZWBS-UHFFFAOYSA-N 0 0 427.353 4.701 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001108762 555630261 /nfs/dbraw/zinc/63/02/61/555630261.db2.gz XLHLXMJYWRZVJU-RUZDIDTESA-N 0 0 434.561 4.779 50 0 IJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NCc1ccccc1 ZINC000001110000 555630813 /nfs/dbraw/zinc/63/08/13/555630813.db2.gz CUXFSVBJTAGBGK-FOCLMDBBSA-N 0 0 447.494 4.975 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc(C)cc(C)n1 ZINC000001117161 555634867 /nfs/dbraw/zinc/63/48/67/555634867.db2.gz WUNFHKJUCMCJIQ-UHFFFAOYSA-N 0 0 427.551 4.729 50 0 IJAARN O=Cc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2ccc(Br)cc12 ZINC000001126576 555641030 /nfs/dbraw/zinc/64/10/30/555641030.db2.gz YQNLRVNSHVAVNW-UHFFFAOYSA-N 0 0 425.204 4.874 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000001126444 555641078 /nfs/dbraw/zinc/64/10/78/555641078.db2.gz SJHAGNYVCPJZTF-UHFFFAOYSA-N 0 0 449.359 4.767 50 0 IJAARN CN(c1ccccc1C(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000001127375 555642035 /nfs/dbraw/zinc/64/20/35/555642035.db2.gz XUHQNKIEJRCTJK-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000001127536 555642041 /nfs/dbraw/zinc/64/20/41/555642041.db2.gz WKIGMUDLDWPWOX-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001128112 555642635 /nfs/dbraw/zinc/64/26/35/555642635.db2.gz BQBFEBCMAXDTNJ-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1I ZINC000001146019 555653209 /nfs/dbraw/zinc/65/32/09/555653209.db2.gz YDUUGEIDCLXDPB-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001145777 555653292 /nfs/dbraw/zinc/65/32/92/555653292.db2.gz JMIKGQOOYKEANP-UHFFFAOYSA-N 0 0 440.540 4.893 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccncc2)cc1 ZINC000001146294 555653526 /nfs/dbraw/zinc/65/35/26/555653526.db2.gz NQKOXPMTPSEDET-UHFFFAOYSA-N 0 0 433.512 4.762 50 0 IJAARN CSc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001149242 555655631 /nfs/dbraw/zinc/65/56/31/555655631.db2.gz LBSICHFHQMAYEQ-UHFFFAOYSA-N 0 0 446.981 4.896 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000001150805 555656423 /nfs/dbraw/zinc/65/64/23/555656423.db2.gz PAUJBRZGEWFIJI-UHFFFAOYSA-N 0 0 448.894 4.887 50 0 IJAARN Cc1cccc(CN(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001153596 555657434 /nfs/dbraw/zinc/65/74/34/555657434.db2.gz JISHIVXWIMRBSE-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000001157195 555659566 /nfs/dbraw/zinc/65/95/66/555659566.db2.gz JNRFQOBQNZDTRO-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN O=C1N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000001162196 555662383 /nfs/dbraw/zinc/66/23/83/555662383.db2.gz BKZJKDWXEPVHHD-XDHOZWIPSA-N 0 0 429.373 4.728 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(F)c(F)c1 ZINC000001162642 555662605 /nfs/dbraw/zinc/66/26/05/555662605.db2.gz UAZOPFABXLXYHQ-NRFANRHFSA-N 0 0 439.487 4.558 50 0 IJAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000001163458 555663005 /nfs/dbraw/zinc/66/30/05/555663005.db2.gz LVHIMVPJVHNUDT-UHFFFAOYSA-N 0 0 429.929 4.899 50 0 IJAARN CCOc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000001169035 555665656 /nfs/dbraw/zinc/66/56/56/555665656.db2.gz FQEYFBVWGWMDBB-KRWDZBQOSA-N 0 0 445.342 4.925 50 0 IJAARN COc1cc(C=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001173618 555668454 /nfs/dbraw/zinc/66/84/54/555668454.db2.gz MPAODGSNJNSJCX-UHFFFAOYSA-N 0 0 437.060 4.998 50 0 IJAARN CCOc1cc(Br)c(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1OCC ZINC000001179875 555671146 /nfs/dbraw/zinc/67/11/46/555671146.db2.gz VHAKYRDQWXZDSU-PXNMLYILSA-N 0 0 428.348 4.939 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2Br)NC(=S)N1 ZINC000001188842 555675178 /nfs/dbraw/zinc/67/51/78/555675178.db2.gz ILSXYFANNGQOFW-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001198311 555677644 /nfs/dbraw/zinc/67/76/44/555677644.db2.gz AKWUCRXOIAWQJH-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CC1(C)Cc2c(sc3nc4n(nc(-c5ccccc5)n4-c4ccccc4)c(=O)c23)CO1 ZINC000001201059 555678469 /nfs/dbraw/zinc/67/84/69/555678469.db2.gz ZVQCDYYEABWZJY-UHFFFAOYSA-N 0 0 428.517 4.613 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000001201559 555678826 /nfs/dbraw/zinc/67/88/26/555678826.db2.gz UKWJZPXQBMEPBR-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccco1 ZINC000001205192 555680302 /nfs/dbraw/zinc/68/03/02/555680302.db2.gz GZZMASJIUURJNQ-UHFFFAOYSA-N 0 0 442.294 4.977 50 0 IJAARN CCCC(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000001216688 555684296 /nfs/dbraw/zinc/68/42/96/555684296.db2.gz VPRXLSVGINTURQ-UHFFFAOYSA-N 0 0 442.684 4.936 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(Br)ccc2OC)sc2c1CCCC2 ZINC000001218399 555684811 /nfs/dbraw/zinc/68/48/11/555684811.db2.gz AGJKFOTVPGUMDF-UHFFFAOYSA-N 0 0 438.343 4.827 50 0 IJAARN COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1NC(=O)c1ccco1 ZINC000001218456 555684822 /nfs/dbraw/zinc/68/48/22/555684822.db2.gz JLDUPLMYGRHKPC-UHFFFAOYSA-N 0 0 428.872 4.828 50 0 IJAARN OC1(c2ccc(Br)cc2)CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000001229307 555686312 /nfs/dbraw/zinc/68/63/12/555686312.db2.gz NSMUNGHDDAXRJZ-UHFFFAOYSA-N 0 0 443.154 4.834 50 0 IJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 ZINC000001243660 555687515 /nfs/dbraw/zinc/68/75/15/555687515.db2.gz FAGWLPUZULJJAN-UHFFFAOYSA-N 0 0 431.945 4.946 50 0 IJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)ccc1C ZINC000001297307 555689349 /nfs/dbraw/zinc/68/93/49/555689349.db2.gz USUNOQUFTOUPMC-UHFFFAOYSA-N 0 0 438.940 4.910 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1OC ZINC000001413876 555694900 /nfs/dbraw/zinc/69/49/00/555694900.db2.gz YLSZPRPGVRCMIQ-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1CCc1ccc(F)cc1 ZINC000001446132 555699030 /nfs/dbraw/zinc/69/90/30/555699030.db2.gz KMOLZGDAQJBCPU-GOTSBHOMSA-N 0 0 439.870 4.781 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750184 555712383 /nfs/dbraw/zinc/71/23/83/555712383.db2.gz CADZAXGAQLYYLR-BUXKBTBVSA-N 0 0 449.931 4.780 50 0 IJAARN CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770182 555713385 /nfs/dbraw/zinc/71/33/85/555713385.db2.gz BGKKQTVQVCCZNC-KRWDZBQOSA-N 0 0 426.465 4.549 50 0 IJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889603 555725777 /nfs/dbraw/zinc/72/57/77/555725777.db2.gz FHWMADWYYNDDPO-KRWDZBQOSA-N 0 0 443.956 4.657 50 0 IJAARN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002078487 555736344 /nfs/dbraw/zinc/73/63/44/555736344.db2.gz PBRSVTJKRLUMKY-QGZVFWFLSA-N 0 0 434.989 4.541 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)CC ZINC000002092610 555741450 /nfs/dbraw/zinc/74/14/50/555741450.db2.gz STDZCFZXHQAROP-LFIBNONCSA-N 0 0 444.281 4.508 50 0 IJAARN O=C(c1ccco1)N(CCN(Cc1ccccc1)C(=O)c1ccco1)Cc1ccccc1 ZINC000002132173 555746500 /nfs/dbraw/zinc/74/65/00/555746500.db2.gz BTXUIKLYFCKCMU-UHFFFAOYSA-N 0 0 428.488 4.858 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)NCCO)C1 ZINC000002182378 555753934 /nfs/dbraw/zinc/75/39/34/555753934.db2.gz YHUNPXSDYSSZMR-AWEZNQCLSA-N 0 0 434.989 4.527 50 0 IJAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000002182824 555754332 /nfs/dbraw/zinc/75/43/32/555754332.db2.gz SHNZSZZHFNZHMO-CSJROMOCSA-N 0 0 448.591 4.936 50 0 IJAARN CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000002196961 555757133 /nfs/dbraw/zinc/75/71/33/555757133.db2.gz MUMBOQIEOAXXSD-UHFFFAOYSA-N 0 0 448.588 4.772 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000002218172 555759017 /nfs/dbraw/zinc/75/90/17/555759017.db2.gz NRXGLSCFGCIDSJ-UHFFFAOYSA-N 0 0 434.521 4.538 50 0 IJAARN CC(C)NC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002287861 555765634 /nfs/dbraw/zinc/76/56/34/555765634.db2.gz IAENZIJVNOMJIH-WCBMZHEXSA-N 0 0 437.285 4.506 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccnc4)n3C)ccc21 ZINC000002389512 555775201 /nfs/dbraw/zinc/77/52/01/555775201.db2.gz LECMBIRHODQZEM-UHFFFAOYSA-N 0 0 442.548 4.736 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002401109 555776055 /nfs/dbraw/zinc/77/60/55/555776055.db2.gz IDRSFVXOFBAIEG-HXUWFJFHSA-N 0 0 429.875 4.946 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3cccc(F)c3)n(Cc3ccco3)c(=O)c2c1C ZINC000002409266 555776718 /nfs/dbraw/zinc/77/67/18/555776718.db2.gz JJPFLUNTMXZPCK-UHFFFAOYSA-N 0 0 443.525 4.586 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002439018 555779102 /nfs/dbraw/zinc/77/91/02/555779102.db2.gz GBTWQBAVICIYRM-UHFFFAOYSA-N 0 0 432.477 4.657 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccco2)cc1 ZINC000002443861 555779980 /nfs/dbraw/zinc/77/99/80/555779980.db2.gz ZSNIOFXWQOCSAC-UHFFFAOYSA-N 0 0 438.484 4.714 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000002495503 555784099 /nfs/dbraw/zinc/78/40/99/555784099.db2.gz VGBAESYZGWCPOJ-LLVKDONJSA-N 0 0 426.332 4.710 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002539510 555786449 /nfs/dbraw/zinc/78/64/49/555786449.db2.gz GDNCGLXLNRXMIQ-UHFFFAOYSA-N 0 0 447.360 4.692 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1ccncc1 ZINC000034672372 555793461 /nfs/dbraw/zinc/79/34/61/555793461.db2.gz SNJWCOWWRFVTNN-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1cccnc1 ZINC000034675941 555794427 /nfs/dbraw/zinc/79/44/27/555794427.db2.gz OWOIKYAHHOEOJJ-UHFFFAOYSA-N 0 0 427.548 4.664 50 0 IJAARN CC(C)c1ccc(CN2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)cc1 ZINC000034678066 555796453 /nfs/dbraw/zinc/79/64/53/555796453.db2.gz RRJHRLPFAXECOF-UHFFFAOYSA-N 0 0 436.531 4.507 50 0 IJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C ZINC000002737720 555806799 /nfs/dbraw/zinc/80/67/99/555806799.db2.gz SZBOVYFCGLUDSF-KRWDZBQOSA-N 0 0 447.553 4.983 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)c1ccccc1 ZINC000002757767 555811565 /nfs/dbraw/zinc/81/15/65/555811565.db2.gz XLXCKYPCBRIBQZ-UHFFFAOYSA-N 0 0 438.505 4.746 50 0 IJAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c(OC)c1 ZINC000002763101 555813452 /nfs/dbraw/zinc/81/34/52/555813452.db2.gz LQCWSRFTUGDGDU-UHFFFAOYSA-N 0 0 428.444 4.900 50 0 IJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711877 555824834 /nfs/dbraw/zinc/82/48/34/555824834.db2.gz JRCVCBLGKBIISQ-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)c1ccccc1 ZINC000002818859 555829482 /nfs/dbraw/zinc/82/94/82/555829482.db2.gz OHMGHQGVVQXVQZ-OAQYLSRUSA-N 0 0 444.940 4.775 50 0 IJAARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccccc1Cl)c1cccs1 ZINC000002821611 555829849 /nfs/dbraw/zinc/82/98/49/555829849.db2.gz XUEJLVAMACFDKR-GOSISDBHSA-N 0 0 427.909 4.881 50 0 aggregator IJAARN Cc1ccccc1OCc1nnc(SCC(=O)n2c3ccccc3c3c2CCCC3)n1C ZINC000002835336 555832593 /nfs/dbraw/zinc/83/25/93/555832593.db2.gz ROAFOUWOGGQEBK-UHFFFAOYSA-N 0 0 446.576 4.969 50 0 IJAARN CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(N)cc1 ZINC000002836468 555833170 /nfs/dbraw/zinc/83/31/70/555833170.db2.gz UVCHPVANPYTUAC-UHFFFAOYSA-N 0 0 443.576 4.545 50 0 IJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000002843321 555836414 /nfs/dbraw/zinc/83/64/14/555836414.db2.gz CZEVQCGNCVAXCB-ROUUACIJSA-N 0 0 446.623 4.664 50 0 IJAARN COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002853342 555840386 /nfs/dbraw/zinc/84/03/86/555840386.db2.gz KDNFZVNFQAKJAI-HSZRJFAPSA-N 0 0 445.446 4.916 50 0 IJAARN Fc1ccc(Cn2cnc(NC(=S)Nc3cccc(C(F)(F)F)c3)n2)c(Cl)c1 ZINC000002857260 555842332 /nfs/dbraw/zinc/84/23/32/555842332.db2.gz LZYDOVCVZBLHQS-UHFFFAOYSA-N 0 0 429.830 4.947 50 0 IJAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1CC ZINC000002857915 555842733 /nfs/dbraw/zinc/84/27/33/555842733.db2.gz AQVAWODHKQERIG-UHFFFAOYSA-N 0 0 426.582 4.827 50 0 IJAARN CC[C@H](C)c1ccccc1NC(=S)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC ZINC000002859193 555843552 /nfs/dbraw/zinc/84/35/52/555843552.db2.gz JIYFLJVTXHZNHE-LBPRGKRZSA-N 0 0 433.599 4.867 50 0 IJAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000002859459 555843569 /nfs/dbraw/zinc/84/35/69/555843569.db2.gz OEPVUUSVYXPUGZ-GDBMZVCRSA-N 0 0 428.558 4.507 50 0 IJAARN O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1CCc1ccccc1 ZINC000002862535 555845805 /nfs/dbraw/zinc/84/58/05/555845805.db2.gz BYRSVXURIKUANX-UHFFFAOYSA-N 0 0 440.528 4.982 50 0 IJAARN CC(C)(C)c1ccc(COn2c(=O)c(-c3ccccc3Cl)[n+]([O-])c3ccccc32)cc1 ZINC000002864178 555846367 /nfs/dbraw/zinc/84/63/67/555846367.db2.gz HVYZKTKNHPHVDW-UHFFFAOYSA-N 0 0 434.923 4.882 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(Br)cc1 ZINC000002869038 555849034 /nfs/dbraw/zinc/84/90/34/555849034.db2.gz ZSLZJNWENZXKAY-UHFFFAOYSA-N 0 0 427.751 4.721 50 0 IJAARN CN(c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002891144 555859946 /nfs/dbraw/zinc/85/99/46/555859946.db2.gz RPYLHWLCZGEQPU-UHFFFAOYSA-N 0 0 449.359 4.749 50 0 IJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)c1 ZINC000002916805 555862863 /nfs/dbraw/zinc/86/28/63/555862863.db2.gz QIXOQKNKXURJFO-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716108 555865386 /nfs/dbraw/zinc/86/53/86/555865386.db2.gz HWVNSTLELVTWKY-OFNKIYASSA-N 0 0 443.538 4.852 50 0 IJAARN COc1ccc(CC(=O)Nc2ccccc2N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000034734870 555880575 /nfs/dbraw/zinc/88/05/75/555880575.db2.gz FIASKPZBXNXOLZ-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN COc1ccc(NC(=O)c2cccs2)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000034739754 555882706 /nfs/dbraw/zinc/88/27/06/555882706.db2.gz UUBABCJNSCZMTC-UHFFFAOYSA-N 0 0 439.512 4.980 50 0 IJAARN O=C(Cc1ccccc1)Nc1cccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)c1 ZINC000034735419 555885531 /nfs/dbraw/zinc/88/55/31/555885531.db2.gz KBPSHGRDDJMQGN-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN CCOC(=O)N[C@@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003130871 555890492 /nfs/dbraw/zinc/89/04/92/555890492.db2.gz YHBOZYFBKLJSRQ-SECBINFHSA-N 0 0 439.579 4.722 50 0 IJAARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000034810120 555908450 /nfs/dbraw/zinc/90/84/50/555908450.db2.gz XMDCIRXJPZWKFZ-UHFFFAOYSA-N 0 0 441.535 4.590 50 0 IJAARN C[C@H]1CN(C2=Nc3ccc(C(F)(F)F)cc3Oc3ccccc32)CCN1C(=O)C1CC1 ZINC000034812845 555909784 /nfs/dbraw/zinc/90/97/84/555909784.db2.gz QPYGDXJJQYKMIX-AWEZNQCLSA-N 0 0 429.442 4.832 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)COc3ccccc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813624 555910397 /nfs/dbraw/zinc/91/03/97/555910397.db2.gz NTVPZWWFHBHKOQ-FQEVSTJZSA-N 0 0 441.531 4.791 50 0 IJAARN COc1cccc(C(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccc(C)cc43)CC2)c1 ZINC000034813751 555910719 /nfs/dbraw/zinc/91/07/19/555910719.db2.gz MUNROXUZCGVVBA-UHFFFAOYSA-N 0 0 441.531 4.954 50 0 IJAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000034907113 555920671 /nfs/dbraw/zinc/92/06/71/555920671.db2.gz MZYBFUIZRGOAFU-UHFFFAOYSA-N 0 0 441.373 4.779 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2F)sc2c1CC[C@@H](C)C2 ZINC000034854070 555923692 /nfs/dbraw/zinc/92/36/92/555923692.db2.gz KBGJNWWIRMBKQY-HUUCEWRRSA-N 0 0 432.561 4.648 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1)C(=O)Nc1ccccc1C ZINC000034860678 555924897 /nfs/dbraw/zinc/92/48/97/555924897.db2.gz FWOHRSSOPXUDSB-RUZDIDTESA-N 0 0 448.542 4.811 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000004019099 555953174 /nfs/dbraw/zinc/95/31/74/555953174.db2.gz QWMOGBCJEZXUKA-WILYLXEWSA-N 0 0 448.420 4.988 50 0 IJAARN CC(C)=CC(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022649950 556017663 /nfs/dbraw/zinc/01/76/63/556017663.db2.gz UWCDNXQLEVMLAM-HSZRJFAPSA-N 0 0 448.941 4.987 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(C)=O)c1C)oc1ccccc12 ZINC000002637788 556115435 /nfs/dbraw/zinc/11/54/35/556115435.db2.gz SUCJIYGCRQJUKY-HNNXBMFYSA-N 0 0 448.475 4.926 50 0 IJAARN CCCCOC(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 ZINC000002688770 556119680 /nfs/dbraw/zinc/11/96/80/556119680.db2.gz HJBFIXVDUOIALV-QHCPKHFHSA-N 0 0 434.492 4.596 50 0 IJAARN Cc1cccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002691770 556120060 /nfs/dbraw/zinc/12/00/60/556120060.db2.gz HPQJREHSVJPKRQ-UHFFFAOYSA-N 0 0 441.911 4.984 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2cccc(Cl)c2)cc1S(=O)(=O)c1ccc(F)cc1 ZINC000002692022 556120318 /nfs/dbraw/zinc/12/03/18/556120318.db2.gz UUFBTOVCUOAYBM-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc4c(cc32)OCO4)cc1C ZINC000002693533 556120817 /nfs/dbraw/zinc/12/08/17/556120817.db2.gz MHQNUMUUECNXBC-UHFFFAOYSA-N 0 0 445.496 4.644 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccccc2Cl)cc1S(=O)(=O)c1ccccc1 ZINC000002691100 556122069 /nfs/dbraw/zinc/12/20/69/556122069.db2.gz ZMGIGWDOJBYHBM-UHFFFAOYSA-N 0 0 427.884 4.675 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002703997 556123224 /nfs/dbraw/zinc/12/32/24/556123224.db2.gz XAUNASNMQONHLX-HSZRJFAPSA-N 0 0 445.446 4.782 50 0 IJAARN CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002722908 556128515 /nfs/dbraw/zinc/12/85/15/556128515.db2.gz LTPADVPULKMICK-WAIKUNEKSA-N 0 0 427.570 4.621 50 0 IJAARN Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)c1C ZINC000002716388 556130713 /nfs/dbraw/zinc/13/07/13/556130713.db2.gz ZNTALTYZDYXKMQ-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN CC[C@H]1CCCCN1C(=O)COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O ZINC000002716445 556130794 /nfs/dbraw/zinc/13/07/94/556130794.db2.gz OATDRVIZHXWKBN-FQEVSTJZSA-N 0 0 440.971 4.708 50 0 IJAARN Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000002716458 556131000 /nfs/dbraw/zinc/13/10/00/556131000.db2.gz UHCDTIFSYYMHBZ-UHFFFAOYSA-N 0 0 434.923 4.864 50 0 IJAARN CC(C)c1ccc(OCc2cccc(C(=O)NCCn3cc(Br)cn3)c2)cc1 ZINC000002730011 556134313 /nfs/dbraw/zinc/13/43/13/556134313.db2.gz YEVHFNLQYHYULC-UHFFFAOYSA-N 0 0 442.357 4.778 50 0 IJAARN CCn1cc(-c2ccnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)n2)c(C)n1 ZINC000002731094 556134439 /nfs/dbraw/zinc/13/44/39/556134439.db2.gz JRWMOSLXKKUUNG-UHFFFAOYSA-N 0 0 443.576 4.994 50 0 IJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)o2)c(C)c1Br ZINC000002761064 556135413 /nfs/dbraw/zinc/13/54/13/556135413.db2.gz LEIQQOMUPMCOIO-UHFFFAOYSA-N 0 0 426.673 4.949 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002779256 556141323 /nfs/dbraw/zinc/14/13/23/556141323.db2.gz ZOSGFDVULNKBGD-MRXNPFEDSA-N 0 0 426.398 4.816 50 0 IJAARN O=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002794492 556145211 /nfs/dbraw/zinc/14/52/11/556145211.db2.gz BFTOXCMBQBXWMP-UHFFFAOYSA-N 0 0 442.647 4.866 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)C[C@@H](C)CC2 ZINC000002795805 556145490 /nfs/dbraw/zinc/14/54/90/556145490.db2.gz DJIJZVKZOQXTFP-ZDUSSCGKSA-N 0 0 425.506 4.797 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccc(-c3cccc(OC(F)F)c3)n2)cc1 ZINC000002808900 556147015 /nfs/dbraw/zinc/14/70/15/556147015.db2.gz YAWOYTQSRCINOH-UHFFFAOYSA-N 0 0 431.464 4.875 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C)c(C)c2)cc1 ZINC000002985362 556152212 /nfs/dbraw/zinc/15/22/12/556152212.db2.gz BOCFNLVBZMJELB-UHFFFAOYSA-N 0 0 430.614 4.604 50 0 IJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)CC1 ZINC000003009619 556155233 /nfs/dbraw/zinc/15/52/33/556155233.db2.gz AGRQLERVKIHNEO-UHFFFAOYSA-N 0 0 443.613 4.853 50 0 IJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)cc1 ZINC000003024990 556157678 /nfs/dbraw/zinc/15/76/78/556157678.db2.gz BUBMBKKBTRDJGM-UHFFFAOYSA-N 0 0 444.503 4.819 50 0 IJAARN CCCCCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008384469 556160280 /nfs/dbraw/zinc/16/02/80/556160280.db2.gz PCOYZUPPFVDGAQ-QHCPKHFHSA-N 0 0 443.609 4.648 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008385064 556160940 /nfs/dbraw/zinc/16/09/40/556160940.db2.gz IKFCCMDHLJSRIP-SFHVURJKSA-N 0 0 431.941 4.533 50 0 IJAARN CCCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)cc1C)CCCCC2 ZINC000008432578 556171852 /nfs/dbraw/zinc/17/18/52/556171852.db2.gz HQNQZCDHFHENSE-UHFFFAOYSA-N 0 0 443.491 4.746 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000008436957 556173691 /nfs/dbraw/zinc/17/36/91/556173691.db2.gz JJWAUTBVUNQCGL-OAHLLOKOSA-N 0 0 432.446 4.828 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)c1 ZINC000008444426 556178977 /nfs/dbraw/zinc/17/89/77/556178977.db2.gz JFAOHFRJMNEERR-ZNZDAUKMSA-N 0 0 430.430 4.849 50 0 IJAARN CC[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454316 556185024 /nfs/dbraw/zinc/18/50/24/556185024.db2.gz VSGHKYNDRFWKGI-QCDFSEFNSA-N 0 0 433.228 4.994 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000008592772 556189313 /nfs/dbraw/zinc/18/93/13/556189313.db2.gz JJBKMRIAQXROCG-UHFFFAOYSA-N 0 0 432.885 4.997 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1OC ZINC000008604611 556191273 /nfs/dbraw/zinc/19/12/73/556191273.db2.gz DZAJFTZBMZBJDM-OAQYLSRUSA-N 0 0 438.505 4.506 50 0 IJAARN COc1cc2nc(NCc3ccc(C)cc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000008604969 556191654 /nfs/dbraw/zinc/19/16/54/556191654.db2.gz LAZCXLVSOFLBQG-UHFFFAOYSA-N 0 0 425.492 4.882 50 0 IJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccccc1F ZINC000008614953 556192244 /nfs/dbraw/zinc/19/22/44/556192244.db2.gz NRMZWGCIGMGYFZ-UHFFFAOYSA-N 0 0 427.863 4.848 50 0 IJAARN O=c1/c(=C\c2ccc(F)cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008636999 556194937 /nfs/dbraw/zinc/19/49/37/556194937.db2.gz POAXYJYOLQMNQN-YJADQXIJSA-N 0 0 444.556 4.519 50 0 IJAARN Cc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc(C)c2c1 ZINC000008682430 556199232 /nfs/dbraw/zinc/19/92/32/556199232.db2.gz LCYYOBSZDJWCII-UHFFFAOYSA-N 0 0 446.561 4.976 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000008687030 556199947 /nfs/dbraw/zinc/19/99/47/556199947.db2.gz ZSXIKEGUNOZZJM-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000008690965 556200526 /nfs/dbraw/zinc/20/05/26/556200526.db2.gz XLEHMRMUGHKKKQ-QGZVFWFLSA-N 0 0 449.503 4.797 50 0 IJAARN COc1cc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn32)cc(OC)c1OC ZINC000008706339 556201038 /nfs/dbraw/zinc/20/10/38/556201038.db2.gz SBINLIPSQLMGCA-UHFFFAOYSA-N 0 0 437.308 4.852 50 0 IJAARN Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc3c(c(C(F)(F)F)c12)CCC3 ZINC000008748707 556210318 /nfs/dbraw/zinc/21/03/18/556210318.db2.gz LTVAWUUPOWEEEK-UHFFFAOYSA-N 0 0 444.482 4.840 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000097475224 556216737 /nfs/dbraw/zinc/21/67/37/556216737.db2.gz JZODCCJOWSBIEW-SSWFKZEUSA-N 0 0 427.891 4.788 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)c1 ZINC000009059500 556243500 /nfs/dbraw/zinc/24/35/00/556243500.db2.gz ZVQDJIRONJMZRG-VQTJNVASSA-N 0 0 444.457 4.824 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189590 556252293 /nfs/dbraw/zinc/25/22/93/556252293.db2.gz OJQQLLHDBPBLRA-GOSISDBHSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN O=C1CS[C@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225707 556259827 /nfs/dbraw/zinc/25/98/27/556259827.db2.gz NFSFNTUYIDJGSI-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000009225808 556260107 /nfs/dbraw/zinc/26/01/07/556260107.db2.gz KGQDNWSOWZKFNP-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(C)c3)C2=O)c1 ZINC000009225828 556260129 /nfs/dbraw/zinc/26/01/29/556260129.db2.gz NVCALZSPMMDSBK-AREMUKBSSA-N 0 0 444.556 4.792 50 0 IJAARN CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)CC1 ZINC000009235196 556263149 /nfs/dbraw/zinc/26/31/49/556263149.db2.gz ANOIXWDMVYRYQX-UHFFFAOYSA-N 0 0 441.000 4.862 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000009236177 556263704 /nfs/dbraw/zinc/26/37/04/556263704.db2.gz OZWSTGUPIFTNLS-UHFFFAOYSA-N 0 0 428.732 4.568 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239294 556265827 /nfs/dbraw/zinc/26/58/27/556265827.db2.gz ZKFRGWGNDACESA-ZWKOTPCHSA-N 0 0 447.486 4.566 50 0 IJAARN O=C1C[C@@H](N2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000009287942 556272490 /nfs/dbraw/zinc/27/24/90/556272490.db2.gz CMRPYUAFIZDBOK-OAQYLSRUSA-N 0 0 432.898 4.595 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000009295092 556274623 /nfs/dbraw/zinc/27/46/23/556274623.db2.gz UUYXOBVSMSUVQO-FGZHOGPDSA-N 0 0 435.597 4.753 50 0 IJAARN COc1ccc(-c2nc(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000013685197 556275718 /nfs/dbraw/zinc/27/57/18/556275718.db2.gz SVDMRTDBPUCFBW-UHFFFAOYSA-N 0 0 442.968 4.525 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(F)cc1 ZINC000013686367 556276445 /nfs/dbraw/zinc/27/64/45/556276445.db2.gz CUSHPFVXRZAMAO-UHFFFAOYSA-N 0 0 432.517 4.703 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(C)cc4)n3C)n2)cc1 ZINC000009304972 556276602 /nfs/dbraw/zinc/27/66/02/556276602.db2.gz CGDIRTRFRTZZNF-UHFFFAOYSA-N 0 0 435.578 4.953 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000009310818 556279264 /nfs/dbraw/zinc/27/92/64/556279264.db2.gz WVYOPITZNFHVDY-IXFSTUDKSA-N 0 0 439.515 4.650 50 0 IJAARN COCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C1 ZINC000013691810 556281396 /nfs/dbraw/zinc/28/13/96/556281396.db2.gz KXOAEJOONWTZLV-UHFFFAOYSA-N 0 0 439.817 4.931 50 0 IJAARN Cc1sc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)nc1-c1ccc(C)cc1 ZINC000009329502 556282679 /nfs/dbraw/zinc/28/26/79/556282679.db2.gz BAWQJSIFMPSIGJ-HXUWFJFHSA-N 0 0 433.533 4.686 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(=O)CC1)occ3-c1ccc(F)cc1 ZINC000009340572 556283412 /nfs/dbraw/zinc/28/34/12/556283412.db2.gz NPAHVQILGNCJSE-UHFFFAOYSA-N 0 0 447.462 4.778 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000009410605 556288550 /nfs/dbraw/zinc/28/85/50/556288550.db2.gz OTVGQJUOYZEYPF-BZNIZROVSA-N 0 0 436.415 4.586 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC[C@H]1c1cccnc1 ZINC000009411081 556288703 /nfs/dbraw/zinc/28/87/03/556288703.db2.gz IRPULAJQASJBJI-JENIJYKNSA-N 0 0 445.445 4.899 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013720790 556289926 /nfs/dbraw/zinc/28/99/26/556289926.db2.gz HPRKAEJCIHONML-UHFFFAOYSA-N 0 0 440.528 4.742 50 0 IJAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccs4)nn2c1=O)CCCC3)c1ccccc1 ZINC000013733909 556296841 /nfs/dbraw/zinc/29/68/41/556296841.db2.gz VDSKONBQLAXQLX-UHFFFAOYSA-N 0 0 446.557 4.596 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Br)cn3)s2)cc1OC ZINC000013735469 556297429 /nfs/dbraw/zinc/29/74/29/556297429.db2.gz CJGKWFNIRHDECZ-UHFFFAOYSA-N 0 0 434.315 4.546 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccc(F)cc1 ZINC000009608636 556303574 /nfs/dbraw/zinc/30/35/74/556303574.db2.gz MXCQOUBWDTUHGV-FQEVSTJZSA-N 0 0 438.528 4.870 50 0 IJAARN CNC(=O)c1ccc(N2C(=O)C(=O)C(c3ccc4ccccc4n3)[C@H]2c2cccs2)cc1 ZINC000032736079 556306056 /nfs/dbraw/zinc/30/60/56/556306056.db2.gz NIGFCBBLRKOLQQ-JOCHJYFZSA-N 0 0 441.512 4.713 50 0 IJAARN Cc1cc(C)nc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)n1 ZINC000009698448 556306691 /nfs/dbraw/zinc/30/66/91/556306691.db2.gz DVHOIEYTNIOVGL-QFIPXVFZSA-N 0 0 429.549 4.922 50 0 IJAARN O=S(=O)(c1nnn2c1nc(NC1CCCCC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000009829984 556310047 /nfs/dbraw/zinc/31/00/47/556310047.db2.gz FSPCZIOKHSTUBT-UHFFFAOYSA-N 0 0 441.944 4.508 50 0 IJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NC[C@H](C)O)n1 ZINC000013805688 556311240 /nfs/dbraw/zinc/31/12/40/556311240.db2.gz DARMNZTUMUUUMO-LBPRGKRZSA-N 0 0 446.642 4.804 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013811071 556312306 /nfs/dbraw/zinc/31/23/06/556312306.db2.gz NMAKJCSTXJIZLA-MOPGFXCFSA-N 0 0 449.898 4.932 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000013811565 556312630 /nfs/dbraw/zinc/31/26/30/556312630.db2.gz JSWPRIAHPPABAV-ILBGXUMGSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000009850939 556313893 /nfs/dbraw/zinc/31/38/93/556313893.db2.gz BLBGQLOHFFBHQJ-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN O=C(N[C@@H](C(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000009909537 556316592 /nfs/dbraw/zinc/31/65/92/556316592.db2.gz FAEAIEYQOBAISR-CTEACUEPSA-N 0 0 429.973 4.750 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000009933981 556317478 /nfs/dbraw/zinc/31/74/78/556317478.db2.gz AHHFYRAFTDISKD-JOCHJYFZSA-N 0 0 435.524 4.584 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)s2)c1Cl ZINC000032760787 556321671 /nfs/dbraw/zinc/32/16/71/556321671.db2.gz HFXTVQHWLRIDPX-UHFFFAOYSA-N 0 0 449.985 4.628 50 0 IJAARN CCOc1ccc([C@H](NC(=O)CCc2nc(-c3ccco3)no2)C(C)C)cc1OCC ZINC000032753544 556322927 /nfs/dbraw/zinc/32/29/27/556322927.db2.gz ZSZYVMYHEQYFIE-JOCHJYFZSA-N 0 0 427.501 4.573 50 0 IJAARN CCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000032754539 556323666 /nfs/dbraw/zinc/32/36/66/556323666.db2.gz VEZWMFBAIUZKPA-SNVBAGLBSA-N 0 0 437.363 4.713 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 ZINC000010231082 556327834 /nfs/dbraw/zinc/32/78/34/556327834.db2.gz WATBHNRKQUKDAF-UHFFFAOYSA-N 0 0 435.475 4.746 50 0 IJAARN Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1C ZINC000013944299 556341316 /nfs/dbraw/zinc/34/13/16/556341316.db2.gz XEQWIDNRCXHPKW-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1ccc(CNC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc32)o1 ZINC000013945792 556343015 /nfs/dbraw/zinc/34/30/15/556343015.db2.gz UNVNTEAVGCFBGQ-RUZDIDTESA-N 0 0 427.504 4.629 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 ZINC000013953770 556344457 /nfs/dbraw/zinc/34/44/57/556344457.db2.gz NZDSWUXDQCOZIH-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000032779245 556344566 /nfs/dbraw/zinc/34/45/66/556344566.db2.gz BXUISYQFGHOYHR-AWEZNQCLSA-N 0 0 437.429 4.679 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664049 556344794 /nfs/dbraw/zinc/34/47/94/556344794.db2.gz KSGLVRJMXPOYNE-INIZCTEOSA-N 0 0 426.948 4.856 50 0 IJAARN COc1ccc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)n2)cc1OC ZINC000011665000 556345610 /nfs/dbraw/zinc/34/56/10/556345610.db2.gz SGRHSIAVSBSXSJ-MHZLTWQESA-N 0 0 441.531 4.605 50 0 IJAARN CCOC(=O)c1sc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(C(=O)OC)c1C ZINC000013959786 556346659 /nfs/dbraw/zinc/34/66/59/556346659.db2.gz XWCIPQLOUGZBTC-LSFYCGQFSA-N 0 0 433.570 4.955 50 0 IJAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000013960954 556348691 /nfs/dbraw/zinc/34/86/91/556348691.db2.gz QALDDRAHNYWZPW-UHFFFAOYSA-N 0 0 446.942 4.874 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1c(OC)cccc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000013963948 556349549 /nfs/dbraw/zinc/34/95/49/556349549.db2.gz LLMPSUPZGYBNLV-ZDUSSCGKSA-N 0 0 431.554 4.955 50 0 IJAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000011768149 556349576 /nfs/dbraw/zinc/34/95/76/556349576.db2.gz FRZNWNXPJMFRDD-JOCHJYFZSA-N 0 0 434.584 4.588 50 0 IJAARN CSc1ccc(C[C@@]2(CCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CCC(=O)N2)cc1 ZINC000011783487 556351770 /nfs/dbraw/zinc/35/17/70/556351770.db2.gz YDONSPGXORCKAN-NLFFAJNJSA-N 0 0 440.584 4.535 50 0 IJAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)c2ccoc2C)C3)c1 ZINC000011784402 556352476 /nfs/dbraw/zinc/35/24/76/556352476.db2.gz CVETZYBFHLKQCX-QGZVFWFLSA-N 0 0 427.884 4.659 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032779147 556352541 /nfs/dbraw/zinc/35/25/41/556352541.db2.gz JPNLTTWVRPGGOV-CYBMUJFWSA-N 0 0 433.455 4.966 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3ccccc3F)nnc2SCc2ccccc2)cc1 ZINC000011786678 556353505 /nfs/dbraw/zinc/35/35/05/556353505.db2.gz HLEORMLPZRDOMF-UHFFFAOYSA-N 0 0 448.523 4.637 50 0 IJAARN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2)cc1 ZINC000014009965 556354399 /nfs/dbraw/zinc/35/43/99/556354399.db2.gz XEONWLCHFIWLMD-JCMHNJIXSA-N 0 0 443.528 4.678 50 0 IJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021013 556356822 /nfs/dbraw/zinc/35/68/22/556356822.db2.gz JDTUYOHEZLISHW-LJQANCHMSA-N 0 0 449.982 4.944 50 0 IJAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000011813741 556357316 /nfs/dbraw/zinc/35/73/16/556357316.db2.gz XXCVVYOOZYWQBF-QPPBQGQZSA-N 0 0 428.935 4.814 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c(C)c1 ZINC000011814458 556357974 /nfs/dbraw/zinc/35/79/74/556357974.db2.gz YWPBJKXIMYQREX-FQEVSTJZSA-N 0 0 426.532 4.733 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000014069918 556360346 /nfs/dbraw/zinc/36/03/46/556360346.db2.gz PZSDHUPJCOFKTR-UHFFFAOYSA-N 0 0 445.350 4.729 50 0 IJAARN Clc1ccccc1CN1CCO[C@H](CSc2nnc(NCc3ccccc3)s2)C1 ZINC000014070203 556360755 /nfs/dbraw/zinc/36/07/55/556360755.db2.gz GSSIDKMQVWVOFP-SFHVURJKSA-N 0 0 447.029 4.797 50 0 IJAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000014097631 556367920 /nfs/dbraw/zinc/36/79/20/556367920.db2.gz FVRWRNCDTMVFBK-UHFFFAOYSA-N 0 0 427.231 4.771 50 0 IJAARN COc1ccc(CN2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)cc1OC ZINC000011908828 556374354 /nfs/dbraw/zinc/37/43/54/556374354.db2.gz HOYRANAPKXARTD-DEOSSOPVSA-N 0 0 433.548 4.765 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000014138313 556375820 /nfs/dbraw/zinc/37/58/20/556375820.db2.gz UYCRFCKFAHPENX-VXKWHMMOSA-N 0 0 434.923 4.841 50 0 IJAARN O=C(NC1CCC(O)CC1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000014138802 556375844 /nfs/dbraw/zinc/37/58/44/556375844.db2.gz LOFLFDZIJSSDDW-UHFFFAOYSA-N 0 0 425.326 4.698 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000014141358 556376615 /nfs/dbraw/zinc/37/66/15/556376615.db2.gz SZJUBJSSBBEMMI-HSZRJFAPSA-N 0 0 425.488 4.802 50 0 IJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)CCC(=O)N5)o3)cc2C1 ZINC000014141894 556376817 /nfs/dbraw/zinc/37/68/17/556376817.db2.gz UOTMTNMRWSIPBH-LBPRGKRZSA-N 0 0 439.562 4.783 50 0 IJAARN O=C(Cn1nc2ccccc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000011933811 556377176 /nfs/dbraw/zinc/37/71/76/556377176.db2.gz STCPSBGOTYGDDJ-RUZDIDTESA-N 0 0 441.922 4.740 50 0 IJAARN O=C(c1cc(Cl)sc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000014183376 556383440 /nfs/dbraw/zinc/38/34/40/556383440.db2.gz JEOKWVQFFKCVBK-UHFFFAOYSA-N 0 0 440.215 4.837 50 0 IJAARN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000014185441 556385402 /nfs/dbraw/zinc/38/54/02/556385402.db2.gz CALWICBLUFOPLY-UHFFFAOYSA-N 0 0 449.528 4.627 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1Cc1ccccc1 ZINC000014201732 556392051 /nfs/dbraw/zinc/39/20/51/556392051.db2.gz SWEMXLHQSAGHMV-LJQANCHMSA-N 0 0 449.605 4.700 50 0 IJAARN COc1ccc(-c2nc(NC(=O)COCc3nc4ccccc4s3)sc2C)cc1 ZINC000014202067 556392468 /nfs/dbraw/zinc/39/24/68/556392468.db2.gz KXBQCAFHVLIOLR-UHFFFAOYSA-N 0 0 425.535 4.892 50 0 IJAARN COc1ccc([C@@H](NCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c2ccccc2)cc1 ZINC000014239973 556400928 /nfs/dbraw/zinc/40/09/28/556400928.db2.gz ZICOERKKHJHPDU-MHZLTWQESA-N 0 0 440.547 4.815 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012091213 556402335 /nfs/dbraw/zinc/40/23/35/556402335.db2.gz CWPKKKBIGWWQCX-XMMPIXPASA-N 0 0 444.550 4.903 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1nc(C)n(C3CC3)c1=S)CC2 ZINC000014242040 556402594 /nfs/dbraw/zinc/40/25/94/556402594.db2.gz VRYSTGRQRQPHHU-QHCPKHFHSA-N 0 0 436.581 4.680 50 0 IJAARN CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cs1 ZINC000012200083 556402742 /nfs/dbraw/zinc/40/27/42/556402742.db2.gz RRRWGVVMWAFXFJ-UHFFFAOYSA-N 0 0 442.972 4.890 50 0 IJAARN C[C@H]1CCc2cc(F)cc3c(=O)c(C4N=NC(=S)N4c4ccc(F)c(Cl)c4)cn1c23 ZINC000032578933 556406012 /nfs/dbraw/zinc/40/60/12/556406012.db2.gz ORBJHLQPIZOADT-JTQLQIEISA-N 0 0 444.894 4.977 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1[C@]1(c3ccccc3NC1=O)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000014246088 556406091 /nfs/dbraw/zinc/40/60/91/556406091.db2.gz HECWYAKGACOJON-QHCPKHFHSA-N 0 0 448.313 4.939 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)no2)cc1 ZINC000032622945 556410234 /nfs/dbraw/zinc/41/02/34/556410234.db2.gz SEKKIQJJMPCHJO-JOCHJYFZSA-N 0 0 439.943 4.961 50 0 IJAARN CCC[C@@H](CNC(=O)COC(=O)c1n[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000014357854 556414127 /nfs/dbraw/zinc/41/41/27/556414127.db2.gz RIRWZPGMPURXCQ-ZDUSSCGKSA-N 0 0 434.323 4.727 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)nc2c1 ZINC000032668354 556418187 /nfs/dbraw/zinc/41/81/87/556418187.db2.gz BKVJCLNORVFXTR-QGZVFWFLSA-N 0 0 438.534 4.696 50 0 IJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@H]1Cc2ccccc2S1 ZINC000014506382 556419806 /nfs/dbraw/zinc/41/98/06/556419806.db2.gz OKHFOHUNGOFBLA-XMMPIXPASA-N 0 0 425.557 4.932 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976414 556421985 /nfs/dbraw/zinc/42/19/85/556421985.db2.gz IEWOKHFTACPHHU-FRXJQHJJSA-N 0 0 431.374 4.595 50 0 IJAARN C[C@@H]1CCc2c(sc3ncn(Cc4csc(COc5ccc(F)cc5)n4)c(=O)c23)C1 ZINC000012978174 556423062 /nfs/dbraw/zinc/42/30/62/556423062.db2.gz ZPSKWQRJPKTFOX-CYBMUJFWSA-N 0 0 441.553 4.806 50 0 IJAARN C[C@H]1CCc2c(sc3ncn(Cc4csc(COc5ccc(F)cc5)n4)c(=O)c23)C1 ZINC000012978176 556423158 /nfs/dbraw/zinc/42/31/58/556423158.db2.gz ZPSKWQRJPKTFOX-ZDUSSCGKSA-N 0 0 441.553 4.806 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000012979737 556423885 /nfs/dbraw/zinc/42/38/85/556423885.db2.gz IVXGILQMUHDWJG-UHFFFAOYSA-N 0 0 425.529 4.894 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1S[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012983560 556425614 /nfs/dbraw/zinc/42/56/14/556425614.db2.gz LEBOPGAFHYMSLX-OAQYLSRUSA-N 0 0 425.550 4.571 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000012990503 556428361 /nfs/dbraw/zinc/42/83/61/556428361.db2.gz DBUIGQMMUPNLOM-VWLOTQADSA-N 0 0 442.563 4.833 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000012993059 556429198 /nfs/dbraw/zinc/42/91/98/556429198.db2.gz FMUMBCGLMANWRO-UHFFFAOYSA-N 0 0 425.529 4.712 50 0 IJAARN C[C@@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccc2c(c1)CCCC2 ZINC000014634070 556430289 /nfs/dbraw/zinc/43/02/89/556430289.db2.gz VSZQUMBEVJRVEU-GOSISDBHSA-N 0 0 433.504 4.772 50 0 IJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000032848069 556430609 /nfs/dbraw/zinc/43/06/09/556430609.db2.gz KYEOJPDVLPNLQS-UHFFFAOYSA-N 0 0 433.879 4.729 50 0 IJAARN COc1ccc(CNc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)cc1 ZINC000027828613 556433957 /nfs/dbraw/zinc/43/39/57/556433957.db2.gz AYIREPMPNCWNQS-MRXNPFEDSA-N 0 0 446.623 4.676 50 0 IJAARN Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000027994054 556441049 /nfs/dbraw/zinc/44/10/49/556441049.db2.gz HXDCYEOGBYVMPK-HXUWFJFHSA-N 0 0 426.944 4.815 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000013028581 556441529 /nfs/dbraw/zinc/44/15/29/556441529.db2.gz BTLZEQCYMQAFDT-APWZRJJASA-N 0 0 439.562 4.757 50 0 IJAARN COc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)cc1OC ZINC000028048097 556442902 /nfs/dbraw/zinc/44/29/02/556442902.db2.gz IITZEVIUGKPVCH-QHCPKHFHSA-N 0 0 436.895 4.541 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000032868768 556449168 /nfs/dbraw/zinc/44/91/68/556449168.db2.gz ZHRHAVRFDRYCPG-UHFFFAOYSA-N 0 0 440.590 4.618 50 0 IJAARN CC(C)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1nc2ccccc2[nH]1 ZINC000014845719 556449577 /nfs/dbraw/zinc/44/95/77/556449577.db2.gz DYQAPMZHAROONT-QFIPXVFZSA-N 0 0 431.515 4.894 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(F)cc1F)CC2 ZINC000013061526 556450783 /nfs/dbraw/zinc/45/07/83/556450783.db2.gz DSJGINBYEPUAJQ-QHCPKHFHSA-N 0 0 444.503 4.630 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000013063537 556452028 /nfs/dbraw/zinc/45/20/28/556452028.db2.gz KJQGKCIDFFJGAL-CALCHBBNSA-N 0 0 443.927 4.548 50 0 IJAARN CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000013073013 556454420 /nfs/dbraw/zinc/45/44/20/556454420.db2.gz BHVIZZULIVQIFV-HNNXBMFYSA-N 0 0 428.579 4.906 50 0 IJAARN OCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(Br)c1 ZINC000028795749 556461028 /nfs/dbraw/zinc/46/10/28/556461028.db2.gz CIDXMHNPZNMHCF-NRFANRHFSA-N 0 0 436.309 4.809 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)s1)C1CC1 ZINC000013109797 556463608 /nfs/dbraw/zinc/46/36/08/556463608.db2.gz MFAKAIGYFVFZJF-AWEZNQCLSA-N 0 0 440.594 4.566 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000028942741 556464611 /nfs/dbraw/zinc/46/46/11/556464611.db2.gz OXWPLMHQGFTLNX-SFHVURJKSA-N 0 0 428.970 4.681 50 0 IJAARN O=C(c1ccccn1)N1CC[C@H]2[C@H](CCCN2C(=O)[C@H](c2ccccc2)C2CCCC2)C1 ZINC000014963854 556465038 /nfs/dbraw/zinc/46/50/38/556465038.db2.gz JXUOAYGKKXIYNC-PZUNEJSGSA-N 0 0 431.580 4.509 50 0 IJAARN Cc1cnc(SC[C@H]2CCCO2)nc1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000014965283 556465381 /nfs/dbraw/zinc/46/53/81/556465381.db2.gz FSCHWAQUXUBWAD-RBUKOAKNSA-N 0 0 445.654 4.847 50 0 IJAARN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000014965279 556465412 /nfs/dbraw/zinc/46/54/12/556465412.db2.gz FSCHWAQUXUBWAD-OALUTQOASA-N 0 0 445.654 4.847 50 0 IJAARN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 ZINC000029069553 556466366 /nfs/dbraw/zinc/46/63/66/556466366.db2.gz XODBCTQCFGWFDC-UHFFFAOYSA-N 0 0 441.645 4.689 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 ZINC000029072572 556466585 /nfs/dbraw/zinc/46/65/85/556466585.db2.gz YFWIAJMQFDNAHP-QAPCUYQASA-N 0 0 442.972 4.897 50 0 IJAARN Cc1ccsc1[C@@H]1c2c(=O)[nH]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000013114390 556466722 /nfs/dbraw/zinc/46/67/22/556466722.db2.gz ADAIECLUWRUAQV-HNNXBMFYSA-N 0 0 433.599 4.671 50 0 IJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000029145953 556468600 /nfs/dbraw/zinc/46/86/00/556468600.db2.gz SDTZYEQYPLXYEM-QHCPKHFHSA-N 0 0 439.987 4.663 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)N1CCc2ccccc21 ZINC000013116223 556468601 /nfs/dbraw/zinc/46/86/01/556468601.db2.gz UBCKUWSZNMXCEY-ZIAGYGMSSA-N 0 0 425.579 4.993 50 0 IJAARN Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1C[C@H]1CCCO1 ZINC000013116877 556468926 /nfs/dbraw/zinc/46/89/26/556468926.db2.gz RZFGBIFNBRXKFR-HXUWFJFHSA-N 0 0 436.581 4.717 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc12 ZINC000013117144 556469522 /nfs/dbraw/zinc/46/95/22/556469522.db2.gz PLAHLSYEEWSUDI-UHFFFAOYSA-N 0 0 447.560 4.806 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3ccc(C)cc3)nnc2SCc2ccccc2)cc1 ZINC000014977684 556469569 /nfs/dbraw/zinc/46/95/69/556469569.db2.gz DMLWFAYDRWMGFX-UHFFFAOYSA-N 0 0 444.560 4.807 50 0 IJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000029287729 556471579 /nfs/dbraw/zinc/47/15/79/556471579.db2.gz APLBYLAPHRZIFQ-DEOSSOPVSA-N 0 0 440.499 4.516 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c2ccccc2S1 ZINC000013120141 556472063 /nfs/dbraw/zinc/47/20/63/556472063.db2.gz FKCSQKAFHHLHCJ-OAHLLOKOSA-N 0 0 437.594 4.685 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000014991946 556475496 /nfs/dbraw/zinc/47/54/96/556475496.db2.gz DPOHGSUZQXOPGE-NRFANRHFSA-N 0 0 440.588 4.829 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1Cc1ccccc1 ZINC000013127166 556475705 /nfs/dbraw/zinc/47/57/05/556475705.db2.gz UFBXPDBUQQNFHL-GOSISDBHSA-N 0 0 442.610 4.571 50 0 IJAARN Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)cc1 ZINC000014995608 556477546 /nfs/dbraw/zinc/47/75/46/556477546.db2.gz KHFOZJNKLZVJBU-OAQYLSRUSA-N 0 0 449.620 4.744 50 0 IJAARN Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4s2)CC3)cc1 ZINC000014995606 556477572 /nfs/dbraw/zinc/47/75/72/556477572.db2.gz KHFOZJNKLZVJBU-NRFANRHFSA-N 0 0 449.620 4.744 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)oc1ccccc12 ZINC000013129342 556479246 /nfs/dbraw/zinc/47/92/46/556479246.db2.gz XGRHPQVQFQQULQ-UHFFFAOYSA-N 0 0 434.448 4.538 50 0 IJAARN Cc1nn(C)c2nc(C)c(C(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)cc12 ZINC000029778336 556482570 /nfs/dbraw/zinc/48/25/70/556482570.db2.gz RDFSPNIMQJSAME-UHFFFAOYSA-N 0 0 434.883 4.710 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029796728 556482876 /nfs/dbraw/zinc/48/28/76/556482876.db2.gz ORGQHCUAMCSGBS-JOCHJYFZSA-N 0 0 434.492 4.619 50 0 IJAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc(-c2ccc(O)cc2)cc1 ZINC000013134886 556482958 /nfs/dbraw/zinc/48/29/58/556482958.db2.gz NHKWYMGSBWZRFP-UHFFFAOYSA-N 0 0 428.469 4.639 50 0 IJAARN COc1cccc(Nc2nnc(SCCS(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000029866966 556484913 /nfs/dbraw/zinc/48/49/13/556484913.db2.gz KBKWQTMZPCIDSL-UHFFFAOYSA-N 0 0 441.987 4.510 50 0 IJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCc2ccccc2C1 ZINC000013138162 556485050 /nfs/dbraw/zinc/48/50/50/556485050.db2.gz QPDSOYDZSIEVBP-UHFFFAOYSA-N 0 0 426.563 4.650 50 0 IJAARN Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cs1 ZINC000029957013 556487348 /nfs/dbraw/zinc/48/73/48/556487348.db2.gz NWABSGTYFLBGEZ-LJQANCHMSA-N 0 0 430.455 4.795 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000013145502 556487611 /nfs/dbraw/zinc/48/76/11/556487611.db2.gz YEIIIOQHXOIURD-VWLOTQADSA-N 0 0 432.539 4.919 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030629 556489034 /nfs/dbraw/zinc/48/90/34/556489034.db2.gz VKYJCQXWIBMZTM-HNNXBMFYSA-N 0 0 440.897 4.602 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1C ZINC000013149465 556490918 /nfs/dbraw/zinc/49/09/18/556490918.db2.gz FQOZLINSQLTFNJ-UHFFFAOYSA-N 0 0 447.535 4.932 50 0 IJAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1C ZINC000013150103 556492013 /nfs/dbraw/zinc/49/20/13/556492013.db2.gz KWWKOXBDRXJGKI-HSZRJFAPSA-N 0 0 438.936 4.697 50 0 IJAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000030228620 556492025 /nfs/dbraw/zinc/49/20/25/556492025.db2.gz CHSPNQJYSFVMAX-UHFFFAOYSA-N 0 0 431.319 4.718 50 0 IJAARN O=C([C@@H](Sc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1)N1CCOCC1 ZINC000013163484 556493799 /nfs/dbraw/zinc/49/37/99/556493799.db2.gz QYOLHNBTHUYWBJ-KRWDZBQOSA-N 0 0 446.985 4.627 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000013163911 556495049 /nfs/dbraw/zinc/49/50/49/556495049.db2.gz YENLZGUMRKMIQP-FQEVSTJZSA-N 0 0 448.866 4.740 50 0 IJAARN COc1cc(Cl)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1OC ZINC000011070272 556495179 /nfs/dbraw/zinc/49/51/79/556495179.db2.gz GCSOCWDEZALNAF-UHFFFAOYSA-N 0 0 429.879 4.813 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000030667678 556501298 /nfs/dbraw/zinc/50/12/98/556501298.db2.gz AKYUOZMMXBXPLQ-UHFFFAOYSA-N 0 0 428.517 4.696 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3cccs3)sc2c1 ZINC000015084873 556501868 /nfs/dbraw/zinc/50/18/68/556501868.db2.gz MGPXZTOQSWMBEJ-QGZVFWFLSA-N 0 0 428.564 4.635 50 0 IJAARN COC(=O)[C@](C)(c1ccc(Br)cc1)N(C)C(=O)c1ccccc1C(F)(F)F ZINC000072292700 556501959 /nfs/dbraw/zinc/50/19/59/556501959.db2.gz UIQHDEGOJIQQBT-SFHVURJKSA-N 0 0 444.247 4.628 50 0 IJAARN Cc1csc(=O)n1CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000072293334 556502664 /nfs/dbraw/zinc/50/26/64/556502664.db2.gz WBACNQMVHLQMTM-UHFFFAOYSA-N 0 0 430.395 4.530 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000015106964 556504245 /nfs/dbraw/zinc/50/42/45/556504245.db2.gz RUQZCGSLUDJQIR-HNNXBMFYSA-N 0 0 425.506 4.924 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)nn12 ZINC000013483800 556508197 /nfs/dbraw/zinc/50/81/97/556508197.db2.gz NCYBUKWSZUFQAS-UHFFFAOYSA-N 0 0 441.944 4.703 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000032895171 556514636 /nfs/dbraw/zinc/51/46/36/556514636.db2.gz NMTHOTCZJLDRSC-HSZRJFAPSA-N 0 0 445.515 4.677 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1OC ZINC000032895202 556514836 /nfs/dbraw/zinc/51/48/36/556514836.db2.gz YRCMPBPYBZEPOA-FQEVSTJZSA-N 0 0 425.916 4.579 50 0 IJAARN COc1ccc2nc(C)c(C(=O)N(C)Cc3cc(Br)ccc3OC)cc2c1 ZINC000030916730 556515287 /nfs/dbraw/zinc/51/52/87/556515287.db2.gz JSLUAFJIVPXGPX-UHFFFAOYSA-N 0 0 429.314 4.595 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccc(F)cc4F)ccc32)cc1 ZINC000013573837 556524464 /nfs/dbraw/zinc/52/44/64/556524464.db2.gz ZKRDQRORTXQTTJ-UHFFFAOYSA-N 0 0 437.398 4.764 50 0 IJAARN COc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015412920 556525721 /nfs/dbraw/zinc/52/57/21/556525721.db2.gz MUWDZUUOVWYATK-SANMLTNESA-N 0 0 444.531 4.750 50 0 IJAARN COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)ccc1OCc1ccccc1 ZINC000013590366 556529042 /nfs/dbraw/zinc/52/90/42/556529042.db2.gz QBZHMCWGOMOXAU-ZVHZXABRSA-N 0 0 442.540 4.661 50 0 IJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3CSc3nc4ccccc4o3)cc12 ZINC000032899796 556531300 /nfs/dbraw/zinc/53/13/00/556531300.db2.gz ABNUUDORVICUEA-UHFFFAOYSA-N 0 0 429.505 4.963 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 ZINC000015518983 556532815 /nfs/dbraw/zinc/53/28/15/556532815.db2.gz WOYMVQNVIPZXRF-QFIPXVFZSA-N 0 0 437.565 4.911 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015518703 556532936 /nfs/dbraw/zinc/53/29/36/556532936.db2.gz MEQPUIURZRZVHT-INIZCTEOSA-N 0 0 428.337 4.681 50 0 IJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000032902366 556535943 /nfs/dbraw/zinc/53/59/43/556535943.db2.gz UVEBXGYMPQSVNE-MDZRGWNJSA-N 0 0 428.495 4.580 50 0 IJAARN CCN(Cc1nonc1C)C(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000013641379 556542571 /nfs/dbraw/zinc/54/25/71/556542571.db2.gz OTPXJHLBNVEDDJ-UHFFFAOYSA-N 0 0 429.436 4.504 50 0 IJAARN COC(=O)c1cc(-c2cccc(OC)c2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645451 556543652 /nfs/dbraw/zinc/54/36/52/556543652.db2.gz GXIJGFWAXITDRX-UHFFFAOYSA-N 0 0 442.397 4.636 50 0 IJAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4cccc5c(Cl)cccc45)cc3)nn12 ZINC000032642751 556546246 /nfs/dbraw/zinc/54/62/46/556546246.db2.gz DZGAOCPZMDMWGT-UHFFFAOYSA-N 0 0 433.924 4.898 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721806 556547356 /nfs/dbraw/zinc/54/73/56/556547356.db2.gz RLEXZKWYEBJHNW-RIZNVZOMSA-N 0 0 425.532 4.610 50 0 IJAARN CCc1noc(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)n1 ZINC000032905129 556550584 /nfs/dbraw/zinc/55/05/84/556550584.db2.gz QHMWEIKCTPUGHP-UHFFFAOYSA-N 0 0 446.330 4.587 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997219 556551054 /nfs/dbraw/zinc/55/10/54/556551054.db2.gz UWTJBPWCBIBCBN-FQEVSTJZSA-N 0 0 428.464 4.763 50 0 IJAARN Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 ZINC000032907291 556559196 /nfs/dbraw/zinc/55/91/96/556559196.db2.gz VPQXRECOUUQAEE-SFHVURJKSA-N 0 0 434.561 4.997 50 0 IJAARN O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000032908012 556563860 /nfs/dbraw/zinc/56/38/60/556563860.db2.gz WCJZSUUMLPVSBZ-UHFFFAOYSA-N 0 0 438.842 4.652 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4cccc(Br)c4)C3)c2c1C ZINC000032960375 556567025 /nfs/dbraw/zinc/56/70/25/556567025.db2.gz KQNMHPDPBQAVQA-OAHLLOKOSA-N 0 0 443.345 4.766 50 0 IJAARN COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000015947315 556567959 /nfs/dbraw/zinc/56/79/59/556567959.db2.gz KSIHBDUIWAKGBP-OAQYLSRUSA-N 0 0 433.533 4.522 50 0 IJAARN Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCN1CCOCC1 ZINC000015987903 556571506 /nfs/dbraw/zinc/57/15/06/556571506.db2.gz CKOLIABRVFHOPI-UHFFFAOYSA-N 0 0 444.362 4.579 50 0 IJAARN CN(CCc1noc(COc2cccc(C(F)(F)F)c2)n1)C(=O)c1ccc(Cl)cc1 ZINC000032961041 556571824 /nfs/dbraw/zinc/57/18/24/556571824.db2.gz BNACOPVGPUDTOM-UHFFFAOYSA-N 0 0 439.821 4.636 50 0 IJAARN O=C(c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000865824 556573391 /nfs/dbraw/zinc/57/33/91/556573391.db2.gz KQMIMACSJDBGQK-KOLCDFICSA-N 0 0 449.296 4.603 50 0 IJAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Br ZINC000001177361 556574174 /nfs/dbraw/zinc/57/41/74/556574174.db2.gz LSZXHDVCWUCVTQ-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CCOC(=O)C1=C(NC(=O)c2cccc(Br)c2)Nc2ccccc2N=C1CC ZINC000016035727 556577781 /nfs/dbraw/zinc/57/77/81/556577781.db2.gz VTFLZKYDCDCJAN-UHFFFAOYSA-N 0 0 442.313 4.562 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000016044120 556578587 /nfs/dbraw/zinc/57/85/87/556578587.db2.gz HNUYMRHVXZBNGA-SQGPQFPESA-N 0 0 430.618 4.958 50 0 IJAARN O=c1cc(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2sc3ccccc3n21 ZINC000032911180 556582465 /nfs/dbraw/zinc/58/24/65/556582465.db2.gz CHEMNFLEIHTORL-UHFFFAOYSA-N 0 0 449.536 4.934 50 0 IJAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034927319 556586828 /nfs/dbraw/zinc/58/68/28/556586828.db2.gz ZVOIADTXXKIJOU-UHFFFAOYSA-N 0 0 434.483 4.726 50 0 IJAARN CCN(CC)C(=O)N1CCC(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000032913103 556587166 /nfs/dbraw/zinc/58/71/66/556587166.db2.gz WTYKQPNOFYWPQI-WOEOTAOXSA-N 0 0 445.607 4.574 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000016182863 556587170 /nfs/dbraw/zinc/58/71/70/556587170.db2.gz PTWLNTQYHPNWIS-INIZCTEOSA-N 0 0 447.638 4.604 50 0 IJAARN Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 ZINC000032913105 556587293 /nfs/dbraw/zinc/58/72/93/556587293.db2.gz VEVPOXRAAMSSBT-UHFFFAOYSA-N 0 0 431.536 4.743 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCCC3)c1 ZINC000016182994 556587390 /nfs/dbraw/zinc/58/73/90/556587390.db2.gz OLIIQTXDNNTSGS-UHFFFAOYSA-N 0 0 437.521 4.544 50 0 IJAARN Cc1nc2cc(NC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)ccc2n1-c1ccccc1 ZINC000032971814 556589848 /nfs/dbraw/zinc/58/98/48/556589848.db2.gz JTTUTIVQVGKIDA-HXUWFJFHSA-N 0 0 447.926 4.726 50 0 IJAARN COc1ccccc1CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1C ZINC000036248513 556595314 /nfs/dbraw/zinc/59/53/14/556595314.db2.gz IXZXQJUBTSGGLW-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccccc2)c1 ZINC000032974968 556596724 /nfs/dbraw/zinc/59/67/24/556596724.db2.gz XLBVHINLXYAUHX-UHFFFAOYSA-N 0 0 441.531 4.806 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000016293275 556598431 /nfs/dbraw/zinc/59/84/31/556598431.db2.gz PROJUEFPEGRNIL-GOSISDBHSA-N 0 0 445.968 4.841 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(Cl)c2)cc1 ZINC000016309362 556599136 /nfs/dbraw/zinc/59/91/36/556599136.db2.gz WIFOHOSIYALURQ-UHFFFAOYSA-N 0 0 442.968 4.502 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2F)cc1 ZINC000016309881 556599282 /nfs/dbraw/zinc/59/92/82/556599282.db2.gz AMGVKQXNFNYXFY-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000016345782 556601360 /nfs/dbraw/zinc/60/13/60/556601360.db2.gz QRLOLPCWRMNSNF-UHFFFAOYSA-N 0 0 431.536 4.643 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)c1 ZINC000032983968 556603283 /nfs/dbraw/zinc/60/32/83/556603283.db2.gz HONRADMOZARWIN-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000016401238 556605727 /nfs/dbraw/zinc/60/57/27/556605727.db2.gz WMDWDNUXDGGIPX-INIZCTEOSA-N 0 0 447.638 4.604 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC000032988797 556608989 /nfs/dbraw/zinc/60/89/89/556608989.db2.gz UTCKKHMJNRGUPY-NOZRDPDXSA-N 0 0 448.588 4.908 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC000032988791 556608993 /nfs/dbraw/zinc/60/89/93/556608993.db2.gz UTCKKHMJNRGUPY-UKILVPOCSA-N 0 0 448.588 4.908 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N[C@H](c3cccs3)C(C)C)s2)cc1 ZINC000032995142 556609982 /nfs/dbraw/zinc/60/99/82/556609982.db2.gz WDKNQCHDMCUIOH-FQEVSTJZSA-N 0 0 442.610 4.997 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(Cl)cc2F)c3=O)cc1 ZINC000038487071 556612904 /nfs/dbraw/zinc/61/29/04/556612904.db2.gz JMXZCVLFVPWGRB-UHFFFAOYSA-N 0 0 443.887 4.565 50 0 IJAARN CC(C)c1noc(CCCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1 ZINC000032915828 556613237 /nfs/dbraw/zinc/61/32/37/556613237.db2.gz VNIFHJFVIDIPKU-UHFFFAOYSA-N 0 0 449.374 4.964 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000016588552 556616435 /nfs/dbraw/zinc/61/64/35/556616435.db2.gz JYVFHBKFHRHALY-UHFFFAOYSA-N 0 0 432.442 4.889 50 0 IJAARN CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000016609933 556617292 /nfs/dbraw/zinc/61/72/92/556617292.db2.gz WEYDSFRSKIVKAD-UHFFFAOYSA-N 0 0 433.533 4.741 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@@]12C=C(C)[C@H](c1cc(C)ccc1OC)CC2=O ZINC000230288770 556621085 /nfs/dbraw/zinc/62/10/85/556621085.db2.gz WQVSDWDDNOWAJV-YMBHNFRISA-N 0 0 437.580 4.992 50 0 IJAARN O=C(OCc1csc(Br)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000061279945 556621098 /nfs/dbraw/zinc/62/10/98/556621098.db2.gz ZEBXXMSTWHADBE-LBPRGKRZSA-N 0 0 449.292 4.884 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000097938674 556635134 /nfs/dbraw/zinc/63/51/34/556635134.db2.gz YLFSVRHWCQWONP-OAQYLSRUSA-N 0 0 426.520 4.513 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000016741496 556635497 /nfs/dbraw/zinc/63/54/97/556635497.db2.gz MYWOCFOWVDBXGK-FQEVSTJZSA-N 0 0 448.500 4.639 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1CCc1ccccc1 ZINC000016741832 556635691 /nfs/dbraw/zinc/63/56/91/556635691.db2.gz MFZNISTVMGMYFD-JOCHJYFZSA-N 0 0 431.875 4.940 50 0 IJAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016750412 556637068 /nfs/dbraw/zinc/63/70/68/556637068.db2.gz QTYFTDVTORTBDS-CVDCTZTESA-N 0 0 433.504 4.696 50 0 IJAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016750164 556637084 /nfs/dbraw/zinc/63/70/84/556637084.db2.gz DAOAYHFZHPTSAH-DEOSSOPVSA-N 0 0 441.483 4.564 50 0 IJAARN COc1cc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000409413541 556640720 /nfs/dbraw/zinc/64/07/20/556640720.db2.gz FXEOMKAHKWUARM-QFIPXVFZSA-N 0 0 431.492 4.786 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000016828992 556645359 /nfs/dbraw/zinc/64/53/59/556645359.db2.gz BNROKHHNDMLYFJ-QGZVFWFLSA-N 0 0 443.503 4.835 50 0 IJAARN CSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)cc1 ZINC000016842782 556646345 /nfs/dbraw/zinc/64/63/45/556646345.db2.gz VYPGETBGRFGWQO-UHFFFAOYSA-N 0 0 443.532 4.600 50 0 IJAARN CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccccc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602351 556646662 /nfs/dbraw/zinc/64/66/62/556646662.db2.gz YCADFJMGLOAXNO-NFQMXDRXSA-N 0 0 442.559 4.573 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037623508 556648293 /nfs/dbraw/zinc/64/82/93/556648293.db2.gz LAONWXDODKMSNQ-OAHLLOKOSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016993871 556652001 /nfs/dbraw/zinc/65/20/01/556652001.db2.gz OSONFRSYLMTTCN-QHCPKHFHSA-N 0 0 430.895 4.885 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000017042295 556653926 /nfs/dbraw/zinc/65/39/26/556653926.db2.gz GKAZDAFBRKDPCV-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN Cc1nc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)sc1Cc1ccc2c(c1)OCO2 ZINC000032926064 556655197 /nfs/dbraw/zinc/65/51/97/556655197.db2.gz XSGZQZCPJJJASO-UHFFFAOYSA-N 0 0 434.521 4.609 50 0 IJAARN CCCc1cc2c(s1)N[C@H](c1cc(OC)c(OCC)cc1Br)NC2=O ZINC000017094327 556657694 /nfs/dbraw/zinc/65/76/94/556657694.db2.gz QMBUIXIQUIKSEC-MRXNPFEDSA-N 0 0 425.348 4.725 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000017096162 556660009 /nfs/dbraw/zinc/66/00/09/556660009.db2.gz VAZBSPGTLKUCMW-UHFFFAOYSA-N 0 0 428.747 4.660 50 0 IJAARN Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000011854396 556661738 /nfs/dbraw/zinc/66/17/38/556661738.db2.gz IIBWKAQDVDZZDX-UHFFFAOYSA-N 0 0 446.319 4.552 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000017097449 556661747 /nfs/dbraw/zinc/66/17/47/556661747.db2.gz AYKGOBCOXKWXRI-UHFFFAOYSA-N 0 0 431.446 4.788 50 0 IJAARN CCOc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000033012987 556662411 /nfs/dbraw/zinc/66/24/11/556662411.db2.gz OGIMMMLOLJHLCK-UHFFFAOYSA-N 0 0 445.475 4.975 50 0 IJAARN COc1cc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc(OC)c1OC ZINC000011866767 556666942 /nfs/dbraw/zinc/66/69/42/556666942.db2.gz ADFWICITVGOVLM-UHFFFAOYSA-N 0 0 444.867 4.570 50 0 biogenic IJAARN Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc32)cc1 ZINC000017137617 556669462 /nfs/dbraw/zinc/66/94/62/556669462.db2.gz CRPWUVLOANNUIW-UHFFFAOYSA-N 0 0 432.549 4.908 50 0 IJAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCCC[C@H]1C ZINC000248163478 556673101 /nfs/dbraw/zinc/67/31/01/556673101.db2.gz QFJNCRFDKFDSNH-RTBURBONSA-N 0 0 443.613 4.703 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cc1OC ZINC000011914850 556674191 /nfs/dbraw/zinc/67/41/91/556674191.db2.gz YKRAFZJWTFLRQJ-ONNFQVAWSA-N 0 0 446.326 4.637 50 0 biogenic IJAARN COc1cc(OC)c(C2=CCN(C(=O)CCSc3ccc(F)c(F)c3)CC2)c(OC)c1 ZINC000011918853 556674996 /nfs/dbraw/zinc/67/49/96/556674996.db2.gz SDOFWVRMIPCJOV-UHFFFAOYSA-N 0 0 449.519 4.789 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000032931831 556676650 /nfs/dbraw/zinc/67/66/50/556676650.db2.gz KIOJQKQQOYRSJL-OAQYLSRUSA-N 0 0 429.303 4.868 50 0 IJAARN C[C@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2cc(C(F)(F)F)ccc2S1 ZINC000032933471 556677589 /nfs/dbraw/zinc/67/75/89/556677589.db2.gz MOOROLUXNXDBAM-AWEZNQCLSA-N 0 0 447.482 4.723 50 0 IJAARN O=C1c2ccccc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000638597 556680228 /nfs/dbraw/zinc/68/02/28/556680228.db2.gz LQBCPPMSPMBHRI-UHFFFAOYSA-N 0 0 444.446 4.955 50 0 IJAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cccc3ccccc32)n1 ZINC000012007787 556680627 /nfs/dbraw/zinc/68/06/27/556680627.db2.gz PKCBRGRHPINDJJ-UHFFFAOYSA-N 0 0 439.475 4.745 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000010626220 556681928 /nfs/dbraw/zinc/68/19/28/556681928.db2.gz IDDIYMGBQQMBCF-UHFFFAOYSA-N 0 0 442.299 4.536 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1Sc1cc(C)nc2ncnn21 ZINC000033019914 556684800 /nfs/dbraw/zinc/68/48/00/556684800.db2.gz DSKDLHUMJWGPTO-UHFFFAOYSA-N 0 0 440.916 4.890 50 0 IJAARN O=C(Nc1ccc(NC(=O)c2cnc3ccccc3n2)c(C(F)(F)F)c1)c1ccco1 ZINC000010641031 556686940 /nfs/dbraw/zinc/68/69/40/556686940.db2.gz BQQFRANCAKXGMG-UHFFFAOYSA-N 0 0 426.354 4.746 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220131 556687665 /nfs/dbraw/zinc/68/76/65/556687665.db2.gz PZODSESFAZEWNZ-DEOSSOPVSA-N 0 0 438.543 4.591 50 0 IJAARN CCN([C@@H](c1ccc(Br)cc1)c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000072313065 556688116 /nfs/dbraw/zinc/68/81/16/556688116.db2.gz SZJJKOFKIZUJLS-FQEVSTJZSA-N 0 0 431.355 4.644 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000046005967 556690083 /nfs/dbraw/zinc/69/00/83/556690083.db2.gz PSAADCYLMPPZAJ-UHFFFAOYSA-N 0 0 446.526 4.824 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCCC(C)C ZINC000046006271 556690407 /nfs/dbraw/zinc/69/04/07/556690407.db2.gz RQXGZFQVJDWSSN-UHFFFAOYSA-N 0 0 426.536 4.670 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000046006631 556690574 /nfs/dbraw/zinc/69/05/74/556690574.db2.gz FKRSMZFKJLOPOD-UHFFFAOYSA-N 0 0 432.568 4.985 50 0 IJAARN CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000252517914 556690848 /nfs/dbraw/zinc/69/08/48/556690848.db2.gz UYIBGGCMDOVCRF-UXLLHSPISA-N 0 0 444.767 4.737 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009442 556690912 /nfs/dbraw/zinc/69/09/12/556690912.db2.gz VPTVBSIHHFBILN-UHFFFAOYSA-N 0 0 432.480 4.630 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000046141512 556692986 /nfs/dbraw/zinc/69/29/86/556692986.db2.gz SXIUEYDBCSGFIY-UHFFFAOYSA-N 0 0 435.546 4.866 50 0 IJAARN COc1ccc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC ZINC000252677843 556694172 /nfs/dbraw/zinc/69/41/72/556694172.db2.gz ZZUXABLVSFALIF-UHFFFAOYSA-N 0 0 440.524 4.655 50 0 aggregator IJAARN COc1ccc([C@H]2[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776338 556694814 /nfs/dbraw/zinc/69/48/14/556694814.db2.gz QZIYNYIYZDLPBX-RPBOFIJWSA-N 0 0 444.531 4.714 50 0 IJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)C[C@@H](OC(C)=O)[C@@H]32)C1 ZINC000118918255 556696138 /nfs/dbraw/zinc/69/61/38/556696138.db2.gz MUKWHGGWGASXHY-BEUALXAPSA-N 0 0 432.601 4.954 50 0 biogenic IJAARN Cc1cccn2c(CN3CCc4sccc4C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019227449 556716935 /nfs/dbraw/zinc/71/69/35/556716935.db2.gz GVLPNBWMUMSUBT-UHFFFAOYSA-N 0 0 444.604 4.577 50 0 IJAARN CCCn1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000019228927 556717794 /nfs/dbraw/zinc/71/77/94/556717794.db2.gz FVACGAXIOCHVQW-HSZRJFAPSA-N 0 0 433.556 4.782 50 0 IJAARN COc1ccc(-c2nc(CSc3ccc(-n4nc(C)cc4C)nn3)cs2)cc1OC ZINC000011140548 556720179 /nfs/dbraw/zinc/72/01/79/556720179.db2.gz WPMKKAIQCGMSHB-UHFFFAOYSA-N 0 0 439.566 4.712 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000033037462 556722984 /nfs/dbraw/zinc/72/29/84/556722984.db2.gz PUYOBCSPQDURTP-QGZVFWFLSA-N 0 0 426.520 4.798 50 0 IJAARN O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000061719559 556726396 /nfs/dbraw/zinc/72/63/96/556726396.db2.gz ODMRHJCUBGRTTR-UHFFFAOYSA-N 0 0 445.426 4.666 50 0 IJAARN COc1ccc(NC(=O)[C@H](Sc2ccc(-n3nc(C)cc3C)nn2)c2ccccc2)cc1 ZINC000011142091 556728331 /nfs/dbraw/zinc/72/83/31/556728331.db2.gz BKWLBGDSSRGWGQ-HSZRJFAPSA-N 0 0 445.548 4.760 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)[nH]n1 ZINC000072331263 556730082 /nfs/dbraw/zinc/73/00/82/556730082.db2.gz OQXPFHUJKUQQEA-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)[nH]n1 ZINC000072331265 556730165 /nfs/dbraw/zinc/73/01/65/556730165.db2.gz XYMIGEDCFJLXSP-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)cc1Cl ZINC000072331964 556731326 /nfs/dbraw/zinc/73/13/26/556731326.db2.gz DAQQXVJWGJGLTR-UHFFFAOYSA-N 0 0 442.928 4.821 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 ZINC000019291272 556731451 /nfs/dbraw/zinc/73/14/51/556731451.db2.gz YBESCMLPENZWKO-UHFFFAOYSA-N 0 0 430.574 4.703 50 0 IJAARN CCc1ccc(CN(C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)cc1 ZINC000055036327 556732397 /nfs/dbraw/zinc/73/23/97/556732397.db2.gz WRVNSSHPXSSFGY-UHFFFAOYSA-N 0 0 426.564 4.801 50 0 IJAARN Clc1ccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)o3)n2)cc1 ZINC000019297040 556734553 /nfs/dbraw/zinc/73/45/53/556734553.db2.gz FGRHUDMOYGYFFG-OAHLLOKOSA-N 0 0 428.857 4.578 50 0 IJAARN CN(Cc1nccs1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000055282018 556739736 /nfs/dbraw/zinc/73/97/36/556739736.db2.gz XZOQRDMWXRYIBD-LJQANCHMSA-N 0 0 441.622 4.768 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000033048131 556743523 /nfs/dbraw/zinc/74/35/23/556743523.db2.gz ZEVCCOXDSYCOHV-UHFFFAOYSA-N 0 0 431.870 4.540 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000058010124 556753073 /nfs/dbraw/zinc/75/30/73/556753073.db2.gz ZPOSITBJVUVONB-UHFFFAOYSA-N 0 0 434.945 4.610 50 0 IJAARN CCn1c(=O)c2cc3c(nc2nc1SCc1ccc(Br)cc1)CCCC3 ZINC000002368987 556760779 /nfs/dbraw/zinc/76/07/79/556760779.db2.gz UDQARBHJPGWTNC-UHFFFAOYSA-N 0 0 430.371 4.745 50 0 IJAARN O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000058156029 556762522 /nfs/dbraw/zinc/76/25/22/556762522.db2.gz ZFBPURINRJYPBM-XPGWFJOJSA-N 0 0 438.399 4.578 50 0 IJAARN CCOC(=O)[C@H](c1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000058157197 556762807 /nfs/dbraw/zinc/76/28/07/556762807.db2.gz RNYCPGBXDYZFTD-SANMLTNESA-N 0 0 429.560 4.939 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058165448 556766429 /nfs/dbraw/zinc/76/64/29/556766429.db2.gz LKFBTHCUUGTRRP-JOCHJYFZSA-N 0 0 425.891 4.729 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1 ZINC000058165947 556766542 /nfs/dbraw/zinc/76/65/42/556766542.db2.gz RZZBUAGZEWQOQU-BUHFOSPRSA-N 0 0 447.579 4.931 50 0 IJAARN CC(=O)N(c1nc(COC(=O)c2cccc(N3CCCC3=O)c2)cs1)c1cccc(C)c1 ZINC000019481488 556768371 /nfs/dbraw/zinc/76/83/71/556768371.db2.gz WWGGSBAJQLZBQQ-UHFFFAOYSA-N 0 0 449.532 4.620 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000058218455 556773200 /nfs/dbraw/zinc/77/32/00/556773200.db2.gz OXFFWMLPNFLTPL-QHCPKHFHSA-N 0 0 429.568 4.858 50 0 IJAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)cs2)cc1 ZINC000058310201 556779580 /nfs/dbraw/zinc/77/95/80/556779580.db2.gz ZZWCFCKRBUPMJD-UHFFFAOYSA-N 0 0 445.548 4.874 50 0 IJAARN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000058404322 556785693 /nfs/dbraw/zinc/78/56/93/556785693.db2.gz TWUNTKHKXFDTBE-UHFFFAOYSA-N 0 0 429.854 4.743 50 0 IJAARN O=c1c(Cl)c(N2CCC[C@H]2CCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058425603 556787662 /nfs/dbraw/zinc/78/76/62/556787662.db2.gz VKLOYVGRCMUQML-KRWDZBQOSA-N 0 0 448.876 4.901 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1cccnc1N1CCSCC1 ZINC000058429723 556787950 /nfs/dbraw/zinc/78/79/50/556787950.db2.gz VZPJUXZWZQANLS-UHFFFAOYSA-N 0 0 438.500 4.824 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)ccc2s1 ZINC000058440727 556788946 /nfs/dbraw/zinc/78/89/46/556788946.db2.gz UZRSIUWRJSZRIS-IBGZPJMESA-N 0 0 439.537 4.686 50 0 IJAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000058980010 556793744 /nfs/dbraw/zinc/79/37/44/556793744.db2.gz ZHPSGJOTVSFKFD-UHFFFAOYSA-N 0 0 430.533 4.573 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401474 556800652 /nfs/dbraw/zinc/80/06/52/556800652.db2.gz SOGYFCVOEIRUBO-YKSBVNFPSA-N 0 0 443.547 4.838 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Cl ZINC000059438530 556801186 /nfs/dbraw/zinc/80/11/86/556801186.db2.gz PTNWEDRSXXTHHS-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN Cc1cc(C(=O)COc2ccc(Cl)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002649680 556802264 /nfs/dbraw/zinc/80/22/64/556802264.db2.gz PVJANWVTEBIFEW-UHFFFAOYSA-N 0 0 449.938 4.807 50 0 IJAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccccc1 ZINC000002674964 556803023 /nfs/dbraw/zinc/80/30/23/556803023.db2.gz OJEQABFKALYHPZ-JOCHJYFZSA-N 0 0 429.501 4.755 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccccc1)N(C)C ZINC000002726022 556803410 /nfs/dbraw/zinc/80/34/10/556803410.db2.gz HRQUWEDKYDUERH-LJQANCHMSA-N 0 0 444.004 4.973 50 0 IJAARN CC(C)CCOc1cccc(OCC(=O)Nc2ccccc2I)c1 ZINC000003196433 556804426 /nfs/dbraw/zinc/80/44/26/556804426.db2.gz IEGOCCQRBTUIAJ-UHFFFAOYSA-N 0 0 439.293 4.734 50 0 IJAARN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1ccccc1C(F)(F)F ZINC000060034320 556806102 /nfs/dbraw/zinc/80/61/02/556806102.db2.gz KSUGGEQPDLLYIM-UHFFFAOYSA-N 0 0 428.248 4.904 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)COc1cccc3c1OC(C)(C)C3)CCCCC2 ZINC000003263044 556807403 /nfs/dbraw/zinc/80/74/03/556807403.db2.gz TXZCAJOPZCUQHG-UHFFFAOYSA-N 0 0 429.538 4.535 50 0 IJAARN O=C(COC(=O)Cc1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003272213 556807790 /nfs/dbraw/zinc/80/77/90/556807790.db2.gz RKAJGARHTJQLLI-UHFFFAOYSA-N 0 0 440.293 4.966 50 0 IJAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c(OC)c1 ZINC000003272021 556807933 /nfs/dbraw/zinc/80/79/33/556807933.db2.gz AKXAWMAZIOAIEM-WYMLVPIESA-N 0 0 433.460 4.691 50 0 aggregator IJAARN C[C@H](CCc1ccccc1)NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000003281425 556808209 /nfs/dbraw/zinc/80/82/09/556808209.db2.gz FDSCMICWGIBZOO-GFCCVEGCSA-N 0 0 425.779 4.728 50 0 IJAARN CSCC[C@H](C(=O)Oc1ccccc1Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003316126 556809902 /nfs/dbraw/zinc/80/99/02/556809902.db2.gz BWERKPAGCQOYFX-JOCHJYFZSA-N 0 0 445.540 4.601 50 0 IJAARN O=C(OCc1c(Cl)cccc1Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003297857 556810932 /nfs/dbraw/zinc/81/09/32/556810932.db2.gz ABICHXWREOBGMJ-UHFFFAOYSA-N 0 0 447.295 4.728 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc12 ZINC000003345506 556813280 /nfs/dbraw/zinc/81/32/80/556813280.db2.gz MYDDHDCMKDZLJH-UHFFFAOYSA-N 0 0 439.924 4.522 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003393791 556814053 /nfs/dbraw/zinc/81/40/53/556814053.db2.gz PEUNVOROBISBQE-UHFFFAOYSA-N 0 0 441.560 4.608 50 0 IJAARN COc1ccc(CNC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1OC ZINC000072402250 556815325 /nfs/dbraw/zinc/81/53/25/556815325.db2.gz JZORDPFBLQTUKV-KRWDZBQOSA-N 0 0 438.351 4.839 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000033067723 556819530 /nfs/dbraw/zinc/81/95/30/556819530.db2.gz WGYWTUZMKHZXSA-UHFFFAOYSA-N 0 0 444.919 4.803 50 0 IJAARN CCOc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000033067900 556820039 /nfs/dbraw/zinc/82/00/39/556820039.db2.gz CIIXDSDUMMJRQU-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000033067875 556820080 /nfs/dbraw/zinc/82/00/80/556820080.db2.gz DTPURVUSVIADRM-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN Cc1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033067931 556820327 /nfs/dbraw/zinc/82/03/27/556820327.db2.gz WLTFUWDHLXJQFO-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)cc(=O)n2c1 ZINC000033068198 556821128 /nfs/dbraw/zinc/82/11/28/556821128.db2.gz JHGBTAKPCYJZTB-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN O=C(CCC1CCCC1)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033068339 556821921 /nfs/dbraw/zinc/82/19/21/556821921.db2.gz HUGIUVRTANSXAP-UHFFFAOYSA-N 0 0 425.916 4.836 50 0 IJAARN COc1cccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 ZINC000064949726 556829437 /nfs/dbraw/zinc/82/94/37/556829437.db2.gz QNDIOTJDPDSLTR-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1OC ZINC000033068774 556830432 /nfs/dbraw/zinc/83/04/32/556830432.db2.gz OBJJPVXZWQLGIG-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 ZINC000019618643 556831688 /nfs/dbraw/zinc/83/16/88/556831688.db2.gz AUXSUWPLOFWOOD-HNNXBMFYSA-N 0 0 438.505 4.514 50 0 IJAARN CC[C@H](C)OC(=O)c1c2c(sc1NC(=O)c1cc(C)nc3c1c(C)nn3C)CCCC2 ZINC000019632331 556833062 /nfs/dbraw/zinc/83/30/62/556833062.db2.gz XWRGPNRTZNOUAC-ZDUSSCGKSA-N 0 0 440.569 4.733 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CCSCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000019632530 556833386 /nfs/dbraw/zinc/83/33/86/556833386.db2.gz WGIPTKISAGOHBN-SZPZYZBQSA-N 0 0 440.653 4.775 50 0 IJAARN COc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019646482 556840506 /nfs/dbraw/zinc/84/05/06/556840506.db2.gz OUTSTXGLOZDZJL-UHFFFAOYSA-N 0 0 447.604 4.808 50 0 IJAARN O=C(OCc1cn(-c2ccccc2)nn1)c1ccccc1SCc1cn2ccccc2n1 ZINC000062639964 556841406 /nfs/dbraw/zinc/84/14/06/556841406.db2.gz UGKOIYPQQBINMH-UHFFFAOYSA-N 0 0 441.516 4.564 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)n2)cc1 ZINC000067620524 556844663 /nfs/dbraw/zinc/84/46/63/556844663.db2.gz HUBPLOYHMMFWJI-UHFFFAOYSA-N 0 0 434.519 4.639 50 0 IJAARN Cc1cc(C(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c(C)n1-c1nccs1 ZINC000022183844 556849199 /nfs/dbraw/zinc/84/91/99/556849199.db2.gz LRZGCVJRRMZZJZ-UHFFFAOYSA-N 0 0 446.557 4.872 50 0 IJAARN CCOc1ccccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072866 556852529 /nfs/dbraw/zinc/85/25/29/556852529.db2.gz DMYBAFRDUSXZCC-UHFFFAOYSA-N 0 0 432.499 4.979 50 0 IJAARN CCOc1ccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccccc4)CC3)c2)cc1 ZINC000033073746 556852699 /nfs/dbraw/zinc/85/26/99/556852699.db2.gz LBQJWNVRHSTIBD-UHFFFAOYSA-N 0 0 444.535 4.588 50 0 IJAARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(-c1cccc(F)c1)c2=O ZINC000033077593 556854721 /nfs/dbraw/zinc/85/47/21/556854721.db2.gz ICRRDCVVUAPBCJ-UHFFFAOYSA-N 0 0 447.535 4.955 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(c3ncnc4onc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000033084749 556854765 /nfs/dbraw/zinc/85/47/65/556854765.db2.gz YTQCBSMNSHDYRN-UHFFFAOYSA-N 0 0 445.498 4.841 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086034 556856996 /nfs/dbraw/zinc/85/69/96/556856996.db2.gz AOGXEFPMUDGPSB-UHFFFAOYSA-N 0 0 425.330 4.943 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccc(C(F)(F)F)cc1 ZINC000033087458 556857449 /nfs/dbraw/zinc/85/74/49/556857449.db2.gz MZJCYTHONZFJKF-UHFFFAOYSA-N 0 0 447.442 4.828 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033088987 556858084 /nfs/dbraw/zinc/85/80/84/556858084.db2.gz QJGFXLHNOKRSLD-UHFFFAOYSA-N 0 0 437.215 4.591 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N(C)C3CCCCC3)c2sc1NC(C)=O ZINC000033113597 556860389 /nfs/dbraw/zinc/86/03/89/556860389.db2.gz JLOHYODZYQCDRQ-UHFFFAOYSA-N 0 0 446.569 4.515 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccccc4C)ccc3s2)cc1 ZINC000033116484 556862032 /nfs/dbraw/zinc/86/20/32/556862032.db2.gz WRRQLEDAVPZGDI-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128172 556865019 /nfs/dbraw/zinc/86/50/19/556865019.db2.gz MAMGJNUVCUNORK-OAHLLOKOSA-N 0 0 443.956 4.712 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1C ZINC000033128186 556865254 /nfs/dbraw/zinc/86/52/54/556865254.db2.gz NWMDHWBKLKFMEN-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN CCOc1ccc(C[N@H+](CC)Cc2cc(=O)n3[n-]c(-c4cccc(Cl)c4)cc3n2)cc1 ZINC000033126301 556867079 /nfs/dbraw/zinc/86/70/79/556867079.db2.gz APZHQQVCKDBBBW-UHFFFAOYSA-N 0 0 436.943 4.764 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130420 556870318 /nfs/dbraw/zinc/87/03/18/556870318.db2.gz HAOMGORKUTYDEU-UHFFFAOYSA-N 0 0 425.444 4.959 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)nn3)cc2)c(OC)c1 ZINC000033130963 556871274 /nfs/dbraw/zinc/87/12/74/556871274.db2.gz KPSTVITYXHMVEK-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000043729690 556873290 /nfs/dbraw/zinc/87/32/90/556873290.db2.gz ZMNBCJXBGZZQOX-ONJIFJTESA-N 0 0 444.531 4.645 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000033141875 556877192 /nfs/dbraw/zinc/87/71/92/556877192.db2.gz YBOLXJSGNBWJJZ-OAHLLOKOSA-N 0 0 433.895 4.754 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000033141742 556877963 /nfs/dbraw/zinc/87/79/63/556877963.db2.gz VNPWJVKIYZRLAH-UHFFFAOYSA-N 0 0 448.997 4.508 50 0 IJAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1NC(=O)C1CC1 ZINC000033171107 556882023 /nfs/dbraw/zinc/88/20/23/556882023.db2.gz LYTBWYJZNYIKOV-ZROIWOOFSA-N 0 0 437.521 4.611 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)c(Cl)c3)c2cc1OC ZINC000033172787 556883036 /nfs/dbraw/zinc/88/30/36/556883036.db2.gz GQCOWIVHDXWZNO-UHFFFAOYSA-N 0 0 442.928 4.821 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC1CCCCCCC1 ZINC000033173489 556883325 /nfs/dbraw/zinc/88/33/25/556883325.db2.gz XOGCCCIHDSHVSU-UHFFFAOYSA-N 0 0 432.464 4.760 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2c3cc(OC)c(OC)cc3[nH]c21 ZINC000033172815 556883348 /nfs/dbraw/zinc/88/33/48/556883348.db2.gz MNMHROIEZMZDIA-UHFFFAOYSA-N 0 0 436.537 4.730 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)c1C ZINC000033169421 556884494 /nfs/dbraw/zinc/88/44/94/556884494.db2.gz FMWZZMGBDGVORQ-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1 ZINC000033170334 556885594 /nfs/dbraw/zinc/88/55/94/556885594.db2.gz IOHAQRUUPNNFNW-UHFFFAOYSA-N 0 0 426.520 4.532 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 ZINC000033170415 556885624 /nfs/dbraw/zinc/88/56/24/556885624.db2.gz XXATVALDHHTYOX-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)s1 ZINC000033193968 556887170 /nfs/dbraw/zinc/88/71/70/556887170.db2.gz YMAPEPGLJVGCIQ-UHFFFAOYSA-N 0 0 427.913 4.592 50 0 IJAARN C[N@H+](CC[C@@H](Oc1ccc(C(=O)c2nccs2)cc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000071773469 556888037 /nfs/dbraw/zinc/88/80/37/556888037.db2.gz PFYHOXGTFSSYBE-LJQANCHMSA-N 0 0 444.940 4.554 50 0 in-vitro IJAARN CC(C)(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249331 556888991 /nfs/dbraw/zinc/88/89/91/556888991.db2.gz KAEXHDKTVZHYLD-UHFFFAOYSA-N 0 0 440.540 4.740 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251181 556892073 /nfs/dbraw/zinc/89/20/73/556892073.db2.gz POMWNLRJGATEOD-GOSISDBHSA-N 0 0 445.441 4.825 50 0 IJAARN Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3 ZINC000033252286 556892899 /nfs/dbraw/zinc/89/28/99/556892899.db2.gz FCFJGCRHVABWRG-KRWDZBQOSA-N 0 0 437.609 4.693 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033252374 556892908 /nfs/dbraw/zinc/89/29/08/556892908.db2.gz HEDZRUXQHDNJGR-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN COc1ccccc1-c1noc(-c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)n1 ZINC000033256003 556895160 /nfs/dbraw/zinc/89/51/60/556895160.db2.gz PLCUNFMZRAGQSR-UHFFFAOYSA-N 0 0 448.498 4.640 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1 ZINC000033258251 556895881 /nfs/dbraw/zinc/89/58/81/556895881.db2.gz RUDPERCNENDIHR-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)cc2)no1 ZINC000033258202 556895992 /nfs/dbraw/zinc/89/59/92/556895992.db2.gz YTYQVTLZOVPOQH-UHFFFAOYSA-N 0 0 425.920 4.615 50 0 IJAARN COc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)cc1 ZINC000033258567 556896074 /nfs/dbraw/zinc/89/60/74/556896074.db2.gz FCHODUNAAXDVBB-UHFFFAOYSA-N 0 0 429.480 4.759 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cn(-c2ccc(-c3noc(C4CC4)n3)cc2)nc1C ZINC000033258684 556896665 /nfs/dbraw/zinc/89/66/65/556896665.db2.gz IGGKAWPNIJYIDR-UHFFFAOYSA-N 0 0 429.480 4.677 50 0 IJAARN COc1ccc(CNC(=O)CSCc2ccc(-c3nc(-c4ccc(C)cc4)no3)o2)cc1 ZINC000033262404 556900637 /nfs/dbraw/zinc/90/06/37/556900637.db2.gz KTJNMGWEYOPYES-UHFFFAOYSA-N 0 0 449.532 4.863 50 0 IJAARN N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000019757254 556901349 /nfs/dbraw/zinc/90/13/49/556901349.db2.gz DPSUUQSPWPRETJ-LJQANCHMSA-N 0 0 442.346 4.717 50 0 IJAARN COc1ccc2ncc(C(=O)c3ccccc3)c(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000036370355 556902048 /nfs/dbraw/zinc/90/20/48/556902048.db2.gz SGMYNLMLMIQHEA-UHFFFAOYSA-N 0 0 441.506 4.940 50 0 IJAARN CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000019788871 556914503 /nfs/dbraw/zinc/91/45/03/556914503.db2.gz YIFHGSDCUKLYIS-UHFFFAOYSA-N 0 0 435.837 4.841 50 0 IJAARN COc1cc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc(OC)c1OC ZINC000019789348 556914529 /nfs/dbraw/zinc/91/45/29/556914529.db2.gz ADUDPKHUWLASOO-UHFFFAOYSA-N 0 0 448.563 4.823 50 0 IJAARN COc1cc(-c2nc(CN3CCC(Oc4ccc(F)cc4)CC3)c(C)o2)cc2c1OCO2 ZINC000019790983 556914921 /nfs/dbraw/zinc/91/49/21/556914921.db2.gz JPIUMHPPBXMVOV-UHFFFAOYSA-N 0 0 440.471 4.570 50 0 IJAARN CCc1nn2c(nnc3c2ccn(-c2ccc(Cl)c(Cl)c2)c3=O)c1-c1ccccc1 ZINC000019818961 556921746 /nfs/dbraw/zinc/92/17/46/556921746.db2.gz NLFNKXWGZZUGTI-UHFFFAOYSA-N 0 0 436.302 4.965 50 0 IJAARN Cc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Br)o5)nn43)[nH]n2)cc1 ZINC000019827237 556925840 /nfs/dbraw/zinc/92/58/40/556925840.db2.gz JCRZLVJMPFBUCZ-UHFFFAOYSA-N 0 0 427.287 4.574 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019849692 556930409 /nfs/dbraw/zinc/93/04/09/556930409.db2.gz DKCXZMWVENTKRR-UHFFFAOYSA-N 0 0 435.376 4.653 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1OC ZINC000019879291 556936475 /nfs/dbraw/zinc/93/64/75/556936475.db2.gz FYZNTHQMTMCFGA-QFQXNSOFSA-N 0 0 428.488 4.765 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)NC(=Nc2nc3ccccc3o2)N1 ZINC000019891116 556939447 /nfs/dbraw/zinc/93/94/47/556939447.db2.gz FDGFXJOSVYWKIJ-QFIPXVFZSA-N 0 0 441.466 4.992 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019902006 556942109 /nfs/dbraw/zinc/94/21/09/556942109.db2.gz VZAVYMXMPFLFLJ-NRFANRHFSA-N 0 0 426.944 4.815 50 0 IJAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccccc1 ZINC000033266909 556978945 /nfs/dbraw/zinc/97/89/45/556978945.db2.gz LOZIZVYNWCSDCY-XMMPIXPASA-N 0 0 425.536 4.996 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCC(c2ccc(O)cc2)CC1 ZINC000097027864 556979250 /nfs/dbraw/zinc/97/92/50/556979250.db2.gz OHODXUSLACPSSY-UHFFFAOYSA-N 0 0 429.929 4.594 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000020095482 556979463 /nfs/dbraw/zinc/97/94/63/556979463.db2.gz MHRSGOPMUKYFBN-SFHVURJKSA-N 0 0 443.547 4.808 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020095446 556979494 /nfs/dbraw/zinc/97/94/94/556979494.db2.gz HPXUAWDJVSPIOX-FQEVSTJZSA-N 0 0 425.916 4.779 50 0 IJAARN Cc1ccc(-c2nn3c(Cn4c5ccccc5nc4-c4ccccn4)nnc3s2)cc1C ZINC000020100134 556980028 /nfs/dbraw/zinc/98/00/28/556980028.db2.gz ZVOJIWUPUZTMPE-UHFFFAOYSA-N 0 0 437.532 4.930 50 0 IJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000020100686 556980035 /nfs/dbraw/zinc/98/00/35/556980035.db2.gz BOWBLFMOJGDGOD-UHFFFAOYSA-N 0 0 440.499 4.545 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097112300 556990600 /nfs/dbraw/zinc/99/06/00/556990600.db2.gz ZQNWJZLKRUGRIT-HNNXBMFYSA-N 0 0 425.851 4.963 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020168946 556994637 /nfs/dbraw/zinc/99/46/37/556994637.db2.gz CMSMASOKJZDHOG-UHFFFAOYSA-N 0 0 436.339 4.520 50 0 IJAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1=O ZINC000020213504 556998964 /nfs/dbraw/zinc/99/89/64/556998964.db2.gz QSVKEBOWBBKWLO-HNNXBMFYSA-N 0 0 426.929 4.527 50 0 IJAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)ccc3OC)nc21 ZINC000023108283 557003481 /nfs/dbraw/zinc/00/34/81/557003481.db2.gz MWLBPKNIRGEVRN-AWEZNQCLSA-N 0 0 432.929 4.793 50 0 IJAARN Cc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1NC(=O)c1ccco1 ZINC000011251939 557009413 /nfs/dbraw/zinc/00/94/13/557009413.db2.gz UMVUKPALJWWUIC-UHFFFAOYSA-N 0 0 446.425 4.849 50 0 IJAARN CCn1c2cc(NC(=O)Nc3cccc(SC)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994436 557014679 /nfs/dbraw/zinc/01/46/79/557014679.db2.gz NLSQWRDDQSGCHT-UHFFFAOYSA-N 0 0 439.585 4.809 50 0 IJAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000010689643 557017617 /nfs/dbraw/zinc/01/76/17/557017617.db2.gz TXITVWHUISJXBI-UHFFFAOYSA-N 0 0 440.546 4.890 50 0 IJAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000010700914 557019016 /nfs/dbraw/zinc/01/90/16/557019016.db2.gz MWBZIJLNQWCBOJ-UHFFFAOYSA-N 0 0 443.503 4.954 50 0 IJAARN COc1ccccc1-n1ncc2c1c(SCC(=O)Nc1ccc(Cl)cc1)nnc2C ZINC000023137876 557019830 /nfs/dbraw/zinc/01/98/30/557019830.db2.gz IDXFJNSWGFCTPM-UHFFFAOYSA-N 0 0 439.928 4.517 50 0 IJAARN COc1cc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc(OC)c1 ZINC000046022276 557022059 /nfs/dbraw/zinc/02/20/59/557022059.db2.gz XPVBQBOWJOKQNO-UHFFFAOYSA-N 0 0 443.594 4.999 50 0 IJAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@@H](C)S2 ZINC000032944003 557022781 /nfs/dbraw/zinc/02/27/81/557022781.db2.gz GYCPABIDKLTSOD-CYBMUJFWSA-N 0 0 436.986 4.686 50 0 IJAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(S(C)(=O)=O)cc4)n3)oc21 ZINC000010750680 557024274 /nfs/dbraw/zinc/02/42/74/557024274.db2.gz GWXUUKFBJCJWFA-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nnc(N)s2)cc1 ZINC000010789965 557026822 /nfs/dbraw/zinc/02/68/22/557026822.db2.gz WRHMQOQSEVAOJE-UHFFFAOYSA-N 0 0 436.946 4.696 50 0 IJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1OC ZINC000046056857 557028427 /nfs/dbraw/zinc/02/84/27/557028427.db2.gz JSHZEHUFHSAWGX-LJQANCHMSA-N 0 0 433.508 4.514 50 0 IJAARN CCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073627 557030154 /nfs/dbraw/zinc/03/01/54/557030154.db2.gz XKYXRLAYGAKKBN-UHFFFAOYSA-N 0 0 446.594 4.653 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1)N1CCc2ccccc2C1 ZINC000046079559 557034630 /nfs/dbraw/zinc/03/46/30/557034630.db2.gz JKLAWXODCSRFHT-UHFFFAOYSA-N 0 0 443.522 4.857 50 0 IJAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](c2cccs2)C(C)C)cc1 ZINC000010853445 557039978 /nfs/dbraw/zinc/03/99/78/557039978.db2.gz QEWJRXAHVMDKSY-IBGZPJMESA-N 0 0 430.599 4.971 50 0 IJAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](c2cccs2)C(C)C)cc1 ZINC000010853437 557040011 /nfs/dbraw/zinc/04/00/11/557040011.db2.gz QEWJRXAHVMDKSY-LJQANCHMSA-N 0 0 430.599 4.971 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000017201251 557041148 /nfs/dbraw/zinc/04/11/48/557041148.db2.gz PRFZOANETCTSEL-UHFFFAOYSA-N 0 0 427.485 4.869 50 0 IJAARN COc1ccc(C)cc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270975 557048280 /nfs/dbraw/zinc/04/82/80/557048280.db2.gz HUGRNPQGVAXEAS-UHFFFAOYSA-N 0 0 440.550 4.860 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cnc(-c2ccccc2)nc1 ZINC000048260185 557048801 /nfs/dbraw/zinc/04/88/01/557048801.db2.gz DPQJOHDKOLPIFJ-QGZVFWFLSA-N 0 0 444.438 4.604 50 0 IJAARN CCS(=O)(=O)Oc1cccc(CN(CC(C)C)C(=O)c2cccc3ccccc32)c1 ZINC000004732013 557048820 /nfs/dbraw/zinc/04/88/20/557048820.db2.gz WBONUJVRGOREIR-UHFFFAOYSA-N 0 0 425.550 4.867 50 0 IJAARN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000048230857 557048997 /nfs/dbraw/zinc/04/89/97/557048997.db2.gz ZOURCYLPRUGMIM-KRWDZBQOSA-N 0 0 437.446 4.643 50 0 IJAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271533 557049408 /nfs/dbraw/zinc/04/94/08/557049408.db2.gz HWZPEKACTPUONH-MRXNPFEDSA-N 0 0 434.521 4.590 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033271581 557049456 /nfs/dbraw/zinc/04/94/56/557049456.db2.gz XWUZMQDCCRFLAW-QGZVFWFLSA-N 0 0 434.521 4.672 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272054 557050873 /nfs/dbraw/zinc/05/08/73/557050873.db2.gz IPLHWRWOVIPSEB-UHFFFAOYSA-N 0 0 436.533 4.840 50 0 IJAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)N1CCN(c2ccccn2)CC1 ZINC000033275342 557053893 /nfs/dbraw/zinc/05/38/93/557053893.db2.gz XIJFFCUQEJONEN-UHFFFAOYSA-N 0 0 446.551 4.745 50 0 IJAARN O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1nc(N2CCCC2)ncc1Cl ZINC000048288398 557053992 /nfs/dbraw/zinc/05/39/92/557053992.db2.gz PKEOHJLTXLDHBK-UHFFFAOYSA-N 0 0 445.926 4.640 50 0 IJAARN CCOc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308021 557054332 /nfs/dbraw/zinc/05/43/32/557054332.db2.gz CLXZXOWRNFTBSF-FQEVSTJZSA-N 0 0 430.512 4.549 50 0 IJAARN CC(C)n1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F ZINC000004736139 557054801 /nfs/dbraw/zinc/05/48/01/557054801.db2.gz SEEXLTCFUQKQIJ-UHFFFAOYSA-N 0 0 428.577 4.842 50 0 IJAARN O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000048275980 557056369 /nfs/dbraw/zinc/05/63/69/557056369.db2.gz IUULWQXBAXQKMX-OQLLNIDSSA-N 0 0 448.331 4.630 50 0 IJAARN O=S(=O)(Nc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1)c1ccccc1 ZINC000033276418 557056751 /nfs/dbraw/zinc/05/67/51/557056751.db2.gz HGAPJHUMZNGFJS-UHFFFAOYSA-N 0 0 441.896 4.770 50 0 IJAARN O=C(CCOc1ccc(F)cc1Cl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000048286401 557058502 /nfs/dbraw/zinc/05/85/02/557058502.db2.gz GWBHZORXCIFFBV-HXUWFJFHSA-N 0 0 427.907 4.687 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000023046394 557059790 /nfs/dbraw/zinc/05/97/90/557059790.db2.gz RMFCPRDLWAXMOK-LJQANCHMSA-N 0 0 434.540 4.627 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000048311999 557061165 /nfs/dbraw/zinc/06/11/65/557061165.db2.gz WPATWKHJPHYNLI-MRXNPFEDSA-N 0 0 446.551 4.854 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cc1F ZINC000048299199 557061219 /nfs/dbraw/zinc/06/12/19/557061219.db2.gz PXHZYBGZKQMMBI-UHFFFAOYSA-N 0 0 449.345 4.683 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000023073753 557061456 /nfs/dbraw/zinc/06/14/56/557061456.db2.gz KYYQKKVNUZSWPP-HSZRJFAPSA-N 0 0 436.508 4.609 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@H]2CCc3ccccc32)cc1 ZINC000048299568 557061680 /nfs/dbraw/zinc/06/16/80/557061680.db2.gz XIKJKXSWRLGDSI-SANMLTNESA-N 0 0 441.575 4.825 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1C1CCCCC1 ZINC000023079127 557062401 /nfs/dbraw/zinc/06/24/01/557062401.db2.gz BTFALMQPIGYDHR-UHFFFAOYSA-N 0 0 436.585 4.886 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC=CC[C@H]1c1nc3ccccc3s1)CC2 ZINC000048302531 557063627 /nfs/dbraw/zinc/06/36/27/557063627.db2.gz RQNSQXKYTQEQQF-RTBURBONSA-N 0 0 434.561 4.948 50 0 IJAARN CCOc1ccc(NC(=O)/C(=C\c2cccc(OC)c2OC)NC(=O)c2ccccc2)cc1 ZINC000033286040 557063904 /nfs/dbraw/zinc/06/39/04/557063904.db2.gz UTAQVIQXAGOIOC-OQKWZONESA-N 0 0 446.503 4.512 50 0 IJAARN CN(C[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1)C(=O)OC(C)(C)C ZINC000048302988 557064291 /nfs/dbraw/zinc/06/42/91/557064291.db2.gz MZLVVQYFJVQJRR-LJQANCHMSA-N 0 0 426.557 4.985 50 0 IJAARN CCOc1ccccc1CNC(=O)C1CCN(c2nccnc2Oc2ccccc2C)CC1 ZINC000033288261 557065533 /nfs/dbraw/zinc/06/55/33/557065533.db2.gz NNPDVAAMQWMCNQ-UHFFFAOYSA-N 0 0 446.551 4.509 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290428 557068791 /nfs/dbraw/zinc/06/87/91/557068791.db2.gz CLUYDYRZHLWHSQ-UHFFFAOYSA-N 0 0 438.890 4.701 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000033297871 557073552 /nfs/dbraw/zinc/07/35/52/557073552.db2.gz PHXCRSWGWKXKIX-QINSGFPZSA-N 0 0 431.558 4.503 50 0 IJAARN COc1ccccc1-c1noc(CSc2nccn2-c2ccc(Br)cc2)n1 ZINC000010885104 557073872 /nfs/dbraw/zinc/07/38/72/557073872.db2.gz WKYOVZQPOHMPGH-UHFFFAOYSA-N 0 0 443.326 4.986 50 0 IJAARN COc1ccccc1-c1noc(CSc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)n1 ZINC000023222784 557074246 /nfs/dbraw/zinc/07/42/46/557074246.db2.gz VPIKMRIOOVBUDF-NSHDSACASA-N 0 0 439.566 4.749 50 0 IJAARN COc1ccccc1NC(=O)CSc1ncnc2c3cc(Br)ccc3[nH]c21 ZINC000033298687 557074557 /nfs/dbraw/zinc/07/45/57/557074557.db2.gz ZAFCCGLUWJQLHP-UHFFFAOYSA-N 0 0 443.326 4.613 50 0 IJAARN O=C(Cn1ccc2c1ccnc2SCc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000033298575 557074611 /nfs/dbraw/zinc/07/46/11/557074611.db2.gz NYZDVQYADDKIQK-UHFFFAOYSA-N 0 0 449.507 4.513 50 0 IJAARN O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000033300441 557080317 /nfs/dbraw/zinc/08/03/17/557080317.db2.gz PZCHOVYMQGJSHH-UHFFFAOYSA-N 0 0 440.434 4.668 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000048990987 557080415 /nfs/dbraw/zinc/08/04/15/557080415.db2.gz HDQQILDZNXZKKG-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)NC1CCCCCC1 ZINC000048991320 557080724 /nfs/dbraw/zinc/08/07/24/557080724.db2.gz ILYSNLHXQBLJSI-UHFFFAOYSA-N 0 0 426.991 4.679 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc([C@H](C)Oc4ccccc4F)o3)n2)cc1 ZINC000023263946 557080869 /nfs/dbraw/zinc/08/08/69/557080869.db2.gz VHQWKFKMSJJCHX-LBPRGKRZSA-N 0 0 428.445 4.700 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)cc1 ZINC000033302203 557083617 /nfs/dbraw/zinc/08/36/17/557083617.db2.gz HWBRYSREOHEKQV-UHFFFAOYSA-N 0 0 444.560 4.611 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000033302286 557084073 /nfs/dbraw/zinc/08/40/73/557084073.db2.gz CACVRPWFEUBQMQ-UHFFFAOYSA-N 0 0 444.560 4.611 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(=O)OC)c1 ZINC000049005151 557084246 /nfs/dbraw/zinc/08/42/46/557084246.db2.gz RSQVOBMEKCJHRA-IBGZPJMESA-N 0 0 432.524 4.873 50 0 IJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)c(OC)cc1OC ZINC000049005579 557084523 /nfs/dbraw/zinc/08/45/23/557084523.db2.gz FXXLRPSQYLQMEY-UHFFFAOYSA-N 0 0 428.920 4.834 50 0 IJAARN COc1ccc(CC(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1OC ZINC000033307255 557086895 /nfs/dbraw/zinc/08/68/95/557086895.db2.gz XPXXNPNWTHRKGC-UHFFFAOYSA-N 0 0 445.475 4.514 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)cc1 ZINC000033308649 557089438 /nfs/dbraw/zinc/08/94/38/557089438.db2.gz MPZSQJRHSIXGCM-FQEVSTJZSA-N 0 0 427.504 4.547 50 0 IJAARN COc1ccc(-c2csc3c2ncn(Cc2cccc(Br)c2)c3=O)cc1 ZINC000049002878 557090742 /nfs/dbraw/zinc/09/07/42/557090742.db2.gz BABWKOFUNHIGMW-UHFFFAOYSA-N 0 0 427.323 4.944 50 0 IJAARN COc1cccc2c(Nc3ccc(Cl)c(F)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003072 557090746 /nfs/dbraw/zinc/09/07/46/557090746.db2.gz YRFDMQUTCVLHNZ-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023411348 557091219 /nfs/dbraw/zinc/09/12/19/557091219.db2.gz XPDUDTQAAIBIQP-XMMPIXPASA-N 0 0 447.498 4.701 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004768 557092944 /nfs/dbraw/zinc/09/29/44/557092944.db2.gz OBPDGJJYLMKWEA-UHFFFAOYSA-N 0 0 432.524 4.875 50 0 IJAARN O=c1c2c(ncn1Cc1nc(C3CC3)no1)c1cc(F)ccc1n2Cc1ccc(Cl)cc1 ZINC000033311874 557095200 /nfs/dbraw/zinc/09/52/00/557095200.db2.gz AHZJVWVUEMZOAB-UHFFFAOYSA-N 0 0 449.873 4.501 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1)N1CCCC1 ZINC000033311450 557095606 /nfs/dbraw/zinc/09/56/06/557095606.db2.gz HDEAWSBCIOWAEF-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2ccccc2C)c1=O ZINC000033317895 557099662 /nfs/dbraw/zinc/09/96/62/557099662.db2.gz GSKOTTWSPUTUJY-QGZVFWFLSA-N 0 0 440.503 4.530 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccccc3Cl)cc2S(=O)(=O)N=C1CC(C)C ZINC000085407055 557101273 /nfs/dbraw/zinc/10/12/73/557101273.db2.gz IFFIQXLLWKBJDG-UHFFFAOYSA-N 0 0 433.961 4.956 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)c1 ZINC000085606239 557102302 /nfs/dbraw/zinc/10/23/02/557102302.db2.gz JFAOHFRJMNEERR-BKTGTZMESA-N 0 0 430.430 4.849 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3cccc(C)c3)nn2c1C ZINC000086069869 557108446 /nfs/dbraw/zinc/10/84/46/557108446.db2.gz SWJRMBWBAYJZTI-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)nc(C)n2)cc1 ZINC000033326795 557108646 /nfs/dbraw/zinc/10/86/46/557108646.db2.gz DPZFNIZTYLVGLI-UHFFFAOYSA-N 0 0 434.519 4.639 50 0 IJAARN CCOc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000049422123 557108966 /nfs/dbraw/zinc/10/89/66/557108966.db2.gz JTLLVBBEZBPNKQ-UHFFFAOYSA-N 0 0 440.503 4.835 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)c1 ZINC000585148240 557109187 /nfs/dbraw/zinc/10/91/87/557109187.db2.gz TXRVPTFOMLPEID-AWEZNQCLSA-N 0 0 438.368 4.711 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000049545242 557111049 /nfs/dbraw/zinc/11/10/49/557111049.db2.gz SHBFZYLUEFCJCP-QGZVFWFLSA-N 0 0 440.887 4.530 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)cc1OC ZINC000023740641 557112951 /nfs/dbraw/zinc/11/29/51/557112951.db2.gz ZZWDXDSJDJBQSG-UHFFFAOYSA-N 0 0 448.947 4.669 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4nc32)c1 ZINC000033330867 557114295 /nfs/dbraw/zinc/11/42/95/557114295.db2.gz LTVAHLIPVZBZSC-UHFFFAOYSA-N 0 0 426.476 4.612 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1c(Cl)cccc1Cl ZINC000011370073 557114923 /nfs/dbraw/zinc/11/49/23/557114923.db2.gz YXYLZMXLEBHVSK-UHFFFAOYSA-N 0 0 426.373 4.641 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023221359 557115384 /nfs/dbraw/zinc/11/53/84/557115384.db2.gz KSWPTQOLNKOKEF-SNVBAGLBSA-N 0 0 426.972 4.685 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cccc(I)c3)n2)cc1 ZINC000000706982 557115791 /nfs/dbraw/zinc/11/57/91/557115791.db2.gz GIDULIJMXASYHL-UHFFFAOYSA-N 0 0 436.274 4.676 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1Cl ZINC000113628413 557118299 /nfs/dbraw/zinc/11/82/99/557118299.db2.gz JISOCWNFJJVBNH-OALUTQOASA-N 0 0 440.952 4.835 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023824660 557119580 /nfs/dbraw/zinc/11/95/80/557119580.db2.gz NQSRMSAFJSIRQC-GFCCVEGCSA-N 0 0 447.288 4.556 50 0 IJAARN Cc1cc(I)cnc1NC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000001109354 557121318 /nfs/dbraw/zinc/12/13/18/557121318.db2.gz RUMVOZDZFZLNEZ-UHFFFAOYSA-N 0 0 442.300 4.939 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C(=O)Nc2ccccc2)c1C ZINC000001413034 557122581 /nfs/dbraw/zinc/12/25/81/557122581.db2.gz XCDLOAKBRCAVCL-UHFFFAOYSA-N 0 0 426.469 4.877 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc4ccccc4c3)n2C)cc1 ZINC000000649387 557124896 /nfs/dbraw/zinc/12/48/96/557124896.db2.gz BAWXUAPRRSLKFZ-QGZVFWFLSA-N 0 0 432.549 4.975 50 0 IJAARN CC(C)n1ncc2cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cnc21 ZINC000014712230 557126596 /nfs/dbraw/zinc/12/65/96/557126596.db2.gz FXUWZJBFWHNIQI-UHFFFAOYSA-N 0 0 429.311 4.816 50 0 IJAARN O=C(c1ccc(COc2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023957288 557128076 /nfs/dbraw/zinc/12/80/76/557128076.db2.gz KJBOPOCTSSEHJL-UHFFFAOYSA-N 0 0 443.572 4.833 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000000655806 557129525 /nfs/dbraw/zinc/12/95/25/557129525.db2.gz PTZWOBWNMGURDT-NSHDSACASA-N 0 0 439.480 4.912 50 0 IJAARN O=C(c1cccc(COc2cccc3ccccc32)c1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000655384 557129586 /nfs/dbraw/zinc/12/95/86/557129586.db2.gz IAPXUQLMLYFMEP-QHCPKHFHSA-N 0 0 446.400 4.840 50 0 IJAARN Cc1cccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000654298 557130150 /nfs/dbraw/zinc/13/01/50/557130150.db2.gz SZEVUNTUGSPPCO-JOCHJYFZSA-N 0 0 431.389 4.631 50 0 IJAARN Cc1sc2nc(CN3CCOCC3)nc(N[C@@H]3CCSc4ccccc43)c2c1C ZINC000023994726 557130890 /nfs/dbraw/zinc/13/08/90/557130890.db2.gz IMCIMIARJKVYOY-QGZVFWFLSA-N 0 0 426.611 4.789 50 0 IJAARN O=c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)[nH]c2scc(-c3ccccc3)c21 ZINC000024001807 557131252 /nfs/dbraw/zinc/13/12/52/557131252.db2.gz BTTYLRWEHFJMOK-QGZVFWFLSA-N 0 0 437.590 4.894 50 0 IJAARN Cc1cc(C)cc(N(C(=O)Cn2c(=O)cnc3ccccc32)c2nc3ccccc3s2)c1 ZINC000024024822 557132302 /nfs/dbraw/zinc/13/23/02/557132302.db2.gz AMGMLDOLZAPPIK-UHFFFAOYSA-N 0 0 440.528 4.988 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000017961472 557132613 /nfs/dbraw/zinc/13/26/13/557132613.db2.gz OOEVIZYFMABITA-CQSZACIVSA-N 0 0 445.386 4.572 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2noc(-c3ccco3)n2)cc1 ZINC000024044713 557133631 /nfs/dbraw/zinc/13/36/31/557133631.db2.gz HWKHJYHKUNQNNR-UHFFFAOYSA-N 0 0 446.488 4.720 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)cc2)cc1C ZINC000024752136 557134027 /nfs/dbraw/zinc/13/40/27/557134027.db2.gz YEWBRDKOSAAPFQ-UHFFFAOYSA-N 0 0 445.544 4.846 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccc(F)c1 ZINC000000676531 557134053 /nfs/dbraw/zinc/13/40/53/557134053.db2.gz ZMZMEDUVYCDRFY-UHFFFAOYSA-N 0 0 430.432 4.626 50 0 IJAARN O[C@@H](COc1c(Cl)cccc1Cl)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000024100299 557137070 /nfs/dbraw/zinc/13/70/70/557137070.db2.gz IREDDECBUXKKIN-VIFPVBQESA-N 0 0 439.151 4.875 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccoc1C ZINC000024778261 557138186 /nfs/dbraw/zinc/13/81/86/557138186.db2.gz QTSDRLFNWLKAQV-UHFFFAOYSA-N 0 0 448.552 4.660 50 0 IJAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000011398380 557139949 /nfs/dbraw/zinc/13/99/49/557139949.db2.gz QAMLOCHEEFHZNW-QGZVFWFLSA-N 0 0 426.472 4.625 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000000705983 557139977 /nfs/dbraw/zinc/13/99/77/557139977.db2.gz ZGXYTHWFZIANES-XMMPIXPASA-N 0 0 433.552 4.844 50 0 IJAARN C[C@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000024204232 557140727 /nfs/dbraw/zinc/14/07/27/557140727.db2.gz QORQBCFQZPJLKH-INIZCTEOSA-N 0 0 447.516 4.968 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(-c2ccco2)on1 ZINC000024434936 557146647 /nfs/dbraw/zinc/14/66/47/557146647.db2.gz JLSCHRZQEUWSKT-UHFFFAOYSA-N 0 0 443.868 4.641 50 0 IJAARN CCOC(=O)c1c(NC(=O)Cc2ccc(OCC)c(OCC)c2)sc2c1CCCC2 ZINC000000718893 557148877 /nfs/dbraw/zinc/14/88/77/557148877.db2.gz YIMFUIZKIKIVPP-UHFFFAOYSA-N 0 0 431.554 4.782 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000011451457 557150169 /nfs/dbraw/zinc/15/01/69/557150169.db2.gz GYHLYXDPUWIUPD-UHFFFAOYSA-N 0 0 433.411 4.846 50 0 IJAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000016393971 557151233 /nfs/dbraw/zinc/15/12/33/557151233.db2.gz WXAIZQIVJFSWQA-UHFFFAOYSA-N 0 0 442.562 4.535 50 0 IJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000011462281 557151619 /nfs/dbraw/zinc/15/16/19/557151619.db2.gz UQVKQETUSCNQCK-UHFFFAOYSA-N 0 0 428.410 4.734 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607689 557153655 /nfs/dbraw/zinc/15/36/55/557153655.db2.gz QNYACZMHRGPLSN-UHFFFAOYSA-N 0 0 438.524 4.765 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)Nc1ccccc1SC(F)F ZINC000011507428 557155298 /nfs/dbraw/zinc/15/52/98/557155298.db2.gz YAYPRBOYDYKGSV-UHFFFAOYSA-N 0 0 433.885 4.861 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC[C@@H]1c1cccs1 ZINC000024629835 557156288 /nfs/dbraw/zinc/15/62/88/557156288.db2.gz JSLGZYLISCHJJE-HXUWFJFHSA-N 0 0 447.585 4.903 50 0 IJAARN Cc1cc(Cl)ccc1OCc1nnc(S[C@@H](C)C(=O)N(C)C)n1C1CCCCC1 ZINC000011512108 557156379 /nfs/dbraw/zinc/15/63/79/557156379.db2.gz RFDQKQGHAUQGQE-HNNXBMFYSA-N 0 0 437.009 4.893 50 0 IJAARN O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(Br)ccc1Cl ZINC000206774330 557162155 /nfs/dbraw/zinc/16/21/55/557162155.db2.gz PAGBDHLTALZXJM-CYBMUJFWSA-N 0 0 434.721 4.643 50 0 IJAARN COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C ZINC000024768006 557165193 /nfs/dbraw/zinc/16/51/93/557165193.db2.gz BVUOOCWOAVUMCF-UHFFFAOYSA-N 0 0 444.940 4.639 50 0 IJAARN Cn1nc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccccc1-c1cn2ccsc2n1 ZINC000206895308 557165728 /nfs/dbraw/zinc/16/57/28/557165728.db2.gz VNNMMSYXJUWWFT-UHFFFAOYSA-N 0 0 435.459 4.994 50 0 IJAARN COc1cccc(C(=O)N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)c1 ZINC000000738995 557166089 /nfs/dbraw/zinc/16/60/89/557166089.db2.gz MYROBXMPEPELNW-UHFFFAOYSA-N 0 0 448.567 4.506 50 0 IJAARN COc1ccc(NC(=O)c2nnc(COC(=O)c3sc4ccccc4c3C)s2)cc1 ZINC000024776279 557166707 /nfs/dbraw/zinc/16/67/07/557166707.db2.gz YESVMWIPXXMXIK-UHFFFAOYSA-N 0 0 439.518 4.679 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2cccs2)C2CC2)o1 ZINC000000741021 557167207 /nfs/dbraw/zinc/16/72/07/557167207.db2.gz FZJHJGPUJZUZGK-UHFFFAOYSA-N 0 0 426.513 4.622 50 0 IJAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206994890 557169183 /nfs/dbraw/zinc/16/91/83/557169183.db2.gz MCAYTSVSYHPAFL-NRFANRHFSA-N 0 0 441.940 4.779 50 0 IJAARN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000000780541 557176067 /nfs/dbraw/zinc/17/60/67/557176067.db2.gz RNVWCYNOEWJPIV-BCHFMIIMSA-N 0 0 430.573 4.994 50 0 IJAARN Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c2ccccc2n1 ZINC000024918095 557178814 /nfs/dbraw/zinc/17/88/14/557178814.db2.gz WHYQFTUYFBQVPX-UHFFFAOYSA-N 0 0 446.551 4.764 50 0 IJAARN CCCCn1nc(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c2ccccc2c1=O ZINC000024929801 557181180 /nfs/dbraw/zinc/18/11/80/557181180.db2.gz RQXWXMDCXUVVAQ-UHFFFAOYSA-N 0 0 435.524 4.779 50 0 IJAARN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009306107 557186374 /nfs/dbraw/zinc/18/63/74/557186374.db2.gz QCMBFCOQEATDCZ-OAHLLOKOSA-N 0 0 436.537 4.689 50 0 IJAARN COC(=O)c1ccoc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000024990061 557187296 /nfs/dbraw/zinc/18/72/96/557187296.db2.gz HDHAIRVSSJEQGG-UHFFFAOYSA-N 0 0 426.885 4.655 50 0 IJAARN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccco2)cc1 ZINC000025054608 557192083 /nfs/dbraw/zinc/19/20/83/557192083.db2.gz XZQCNNIICSOMPM-OAHLLOKOSA-N 0 0 438.553 4.755 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2CC(C)C)cc1 ZINC000009615083 557192127 /nfs/dbraw/zinc/19/21/27/557192127.db2.gz IAKRELFKSDYFLM-UHFFFAOYSA-N 0 0 430.961 4.999 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCc1ccc(Br)s1 ZINC000025076344 557194537 /nfs/dbraw/zinc/19/45/37/557194537.db2.gz MXPNSBSHVNYVKS-UHFFFAOYSA-N 0 0 429.405 4.838 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000025088939 557195203 /nfs/dbraw/zinc/19/52/03/557195203.db2.gz FIPVTDNFTMDWMT-UHFFFAOYSA-N 0 0 438.369 4.985 50 0 IJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(OCC)cc1 ZINC000100873444 557196201 /nfs/dbraw/zinc/19/62/01/557196201.db2.gz MTFXYIXLVITQMA-XDOYNYLZSA-N 0 0 449.370 4.642 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(F)cc3)C(=S)N[C@@H]2c2ccccc2C)no1 ZINC000011561328 557199902 /nfs/dbraw/zinc/19/99/02/557199902.db2.gz SSLJIXQYAGCQHF-OAQYLSRUSA-N 0 0 436.512 4.779 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000218525145 557205842 /nfs/dbraw/zinc/20/58/42/557205842.db2.gz QKSKIYRKQRXQTD-GOSISDBHSA-N 0 0 425.916 4.921 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025391385 557207299 /nfs/dbraw/zinc/20/72/99/557207299.db2.gz GSVLSUMHZMIPFW-UHFFFAOYSA-N 0 0 425.507 4.862 50 0 aggregator IJAARN COc1cccc(OC)c1C(=O)Nc1ccc(Br)c(C(=O)c2ccccc2)c1 ZINC000011612153 557208601 /nfs/dbraw/zinc/20/86/01/557208601.db2.gz KLWIIXQZZFHONA-UHFFFAOYSA-N 0 0 440.293 4.950 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000011614372 557210765 /nfs/dbraw/zinc/21/07/65/557210765.db2.gz QGIXPMBJTUWQLI-QFIPXVFZSA-N 0 0 430.460 4.936 50 0 IJAARN Cc1csc([C@](O)(CC(=O)NCc2ccccc2Oc2ccccc2)C(F)(F)F)n1 ZINC000060215386 557214074 /nfs/dbraw/zinc/21/40/74/557214074.db2.gz CSNDMAFVIHGJKT-HXUWFJFHSA-N 0 0 436.455 4.700 50 0 IJAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000025638250 557220261 /nfs/dbraw/zinc/22/02/61/557220261.db2.gz CFPSQKPIUQEGCO-UHFFFAOYSA-N 0 0 449.601 4.787 50 0 IJAARN O=C(Sc1ccccn1)c1cc(C(=O)Sc2ccccn2)n(Cc2ccccc2)n1 ZINC000025783293 557226118 /nfs/dbraw/zinc/22/61/18/557226118.db2.gz FSEIEQRXEPQBPW-UHFFFAOYSA-N 0 0 432.530 4.586 50 0 IJAARN O=C(CSc1ccc(F)cc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024919090 557227632 /nfs/dbraw/zinc/22/76/32/557227632.db2.gz VSNRWXCBUCWMLI-UHFFFAOYSA-N 0 0 445.560 4.525 50 0 IJAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000024388422 557229793 /nfs/dbraw/zinc/22/97/93/557229793.db2.gz FXZYPKFFNLHYNB-OUKQBFOZSA-N 0 0 439.991 4.975 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SC[C@H]3CCCO3)CC2)cc1 ZINC000025917476 557230385 /nfs/dbraw/zinc/23/03/85/557230385.db2.gz QMHBSLASZNZXPF-OAQYLSRUSA-N 0 0 439.577 4.701 50 0 IJAARN O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073035 557233300 /nfs/dbraw/zinc/23/33/00/557233300.db2.gz BIBHUIQEFSSGPA-UHFFFAOYSA-N 0 0 434.155 4.686 50 0 IJAARN Cc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000032950336 557235201 /nfs/dbraw/zinc/23/52/01/557235201.db2.gz WAEJPQWRSJIWEW-UHFFFAOYSA-N 0 0 438.597 4.813 50 0 IJAARN CC(C)N(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)CCc1ccccc1 ZINC000101086202 557236268 /nfs/dbraw/zinc/23/62/68/557236268.db2.gz QDITWDQNVSXMOD-UHFFFAOYSA-N 0 0 442.357 4.911 50 0 IJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)c(OC)c1 ZINC000032950933 557238313 /nfs/dbraw/zinc/23/83/13/557238313.db2.gz CKZQSFIQSZUNPS-UHFFFAOYSA-N 0 0 430.508 4.851 50 0 IJAARN CCc1nc2sc(C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)c(C)c2c(C)n1 ZINC000026363306 557239686 /nfs/dbraw/zinc/23/96/86/557239686.db2.gz IMIWITBERKLQPU-MRXNPFEDSA-N 0 0 425.554 4.865 50 0 IJAARN Cc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Br)ccc3n2)c1 ZINC000013989269 557239880 /nfs/dbraw/zinc/23/98/80/557239880.db2.gz XMQJAVDCNZPKBZ-UHFFFAOYSA-N 0 0 449.352 4.989 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)cc1Cl ZINC000100119862 557241412 /nfs/dbraw/zinc/24/14/12/557241412.db2.gz XWBGROKLMHOACZ-IBGZPJMESA-N 0 0 425.941 4.941 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C(=O)N2CCCC[C@H]12 ZINC000583648956 557241827 /nfs/dbraw/zinc/24/18/27/557241827.db2.gz FXWAQYOTXZAAGH-LJQANCHMSA-N 0 0 446.320 4.633 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000018178789 557245980 /nfs/dbraw/zinc/24/59/80/557245980.db2.gz JINUOYVBKLCCIQ-HSZRJFAPSA-N 0 0 446.894 4.590 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1cc(C)ccc1C ZINC000018186210 557246704 /nfs/dbraw/zinc/24/67/04/557246704.db2.gz MHXGMDIVRBLNDY-UHFFFAOYSA-N 0 0 429.973 4.724 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C(C)C)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604404643 557247495 /nfs/dbraw/zinc/24/74/95/557247495.db2.gz IGPOGGPDOFMHSB-QHCPKHFHSA-N 0 0 445.567 4.665 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C(C)C)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000604404524 557247561 /nfs/dbraw/zinc/24/75/61/557247561.db2.gz IGPOGGPDOFMHSB-HSZRJFAPSA-N 0 0 445.567 4.665 50 0 biogenic IJAARN CCCCCCOc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000026779435 557248442 /nfs/dbraw/zinc/24/84/42/557248442.db2.gz ISSYLMCLXGNXEY-CJLVFECKSA-N 0 0 449.576 4.642 50 0 IJAARN COc1ccccc1CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000005688289 557251545 /nfs/dbraw/zinc/25/15/45/557251545.db2.gz HYVDZFKEKMWRRR-QHCPKHFHSA-N 0 0 427.548 4.733 50 0 IJAARN Cc1cccc(C)c1N(C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1nc2ccccc2s1 ZINC000101099067 557255374 /nfs/dbraw/zinc/25/53/74/557255374.db2.gz HQIVADZLMNZRML-QZTJIDSGSA-N 0 0 445.544 4.529 50 0 IJAARN CCCN(CC1CC1)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000011018990 557257292 /nfs/dbraw/zinc/25/72/92/557257292.db2.gz MYNLFGSLCRECIN-UHFFFAOYSA-N 0 0 441.984 4.780 50 0 IJAARN COc1cc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000032954021 557262834 /nfs/dbraw/zinc/26/28/34/557262834.db2.gz CNYSZDPUGGGTRE-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 ZINC000072270431 557263138 /nfs/dbraw/zinc/26/31/38/557263138.db2.gz PQCMFPLXRMLQBL-UHFFFAOYSA-N 0 0 442.516 4.845 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@@H]2C1 ZINC000100580337 557265331 /nfs/dbraw/zinc/26/53/31/557265331.db2.gz DNCFJPFQNZRNOK-MZMPZRCHSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000100630512 557266719 /nfs/dbraw/zinc/26/67/19/557266719.db2.gz DDYQRCVQZBIQJJ-VXKWHMMOSA-N 0 0 443.547 4.693 50 0 IJAARN CCc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(C)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282372 557267408 /nfs/dbraw/zinc/26/74/08/557267408.db2.gz ZNSANESGYVZZRN-UHFFFAOYSA-N 0 0 436.515 4.619 50 0 IJAARN COc1ccc(OC)c(CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2CC2)c1 ZINC000027605408 557267598 /nfs/dbraw/zinc/26/75/98/557267598.db2.gz QXNGUANITNWMKV-UHFFFAOYSA-N 0 0 433.430 4.937 50 0 IJAARN COC(=O)c1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000000822207 557268518 /nfs/dbraw/zinc/26/85/18/557268518.db2.gz NBHFVCDRCAASSB-KRWDZBQOSA-N 0 0 447.771 4.562 50 0 IJAARN Cc1cc(C)c(NC(=O)CN2c3ncccc3N=C(c3ccc(F)cc3)CC2=O)c(C)c1 ZINC000101321484 557273476 /nfs/dbraw/zinc/27/34/76/557273476.db2.gz AUXWNNZLMGSYOM-UHFFFAOYSA-N 0 0 430.483 4.642 50 0 IJAARN CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1 ZINC000027789013 557273868 /nfs/dbraw/zinc/27/38/68/557273868.db2.gz IQLPCCVMUIMBQT-FQEVSTJZSA-N 0 0 433.552 4.851 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)C[C@H](C)O4)on1)CCC2 ZINC000027792883 557274159 /nfs/dbraw/zinc/27/41/59/557274159.db2.gz JVDBONVIJXGUPD-LBPRGKRZSA-N 0 0 438.505 4.644 50 0 IJAARN COCCNC(=O)c1c(NC(=O)c2oc3cc(C)ccc3c2C)sc2c1CCCC2 ZINC000027793956 557274403 /nfs/dbraw/zinc/27/44/03/557274403.db2.gz SPGZVGNMOFKFHP-UHFFFAOYSA-N 0 0 426.538 4.618 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000100744922 557275755 /nfs/dbraw/zinc/27/57/55/557275755.db2.gz BERXNMPMOXOUNS-IAGOWNOFSA-N 0 0 440.293 4.514 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1cccnc1Cl ZINC000011665515 557284121 /nfs/dbraw/zinc/28/41/21/557284121.db2.gz ULSCWIMOCJEOMT-UHFFFAOYSA-N 0 0 432.896 4.821 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(Br)s2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000101616991 557291379 /nfs/dbraw/zinc/29/13/79/557291379.db2.gz WOTQZKAWTDXARQ-HNNXBMFYSA-N 0 0 431.311 4.685 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101648645 557293373 /nfs/dbraw/zinc/29/33/73/557293373.db2.gz JBKWMWWADCKOAX-SFHVURJKSA-N 0 0 440.883 4.531 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000014084589 557299988 /nfs/dbraw/zinc/29/99/88/557299988.db2.gz FBURWKOBGDQQKW-OAHLLOKOSA-N 0 0 437.521 4.560 50 0 IJAARN C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1cccc(Cl)c1Cl ZINC000014086822 557300285 /nfs/dbraw/zinc/30/02/85/557300285.db2.gz IEBVGZCPSCQCPR-LBPRGKRZSA-N 0 0 438.307 4.656 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000014095898 557303060 /nfs/dbraw/zinc/30/30/60/557303060.db2.gz MLAIRNHORRLDAJ-HNNXBMFYSA-N 0 0 433.512 4.584 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(NC(=O)c2ccoc2C)c1 ZINC000023325442 557304050 /nfs/dbraw/zinc/30/40/50/557304050.db2.gz ZJAKNFVFUPPBOS-UHFFFAOYSA-N 0 0 446.500 4.802 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3CC)C(=O)C2)cc1 ZINC000101880797 557304972 /nfs/dbraw/zinc/30/49/72/557304972.db2.gz IJLWYBGOWDZKGN-UHFFFAOYSA-N 0 0 426.520 4.703 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O ZINC000101880896 557305139 /nfs/dbraw/zinc/30/51/39/557305139.db2.gz ZTASEINDMWPRSV-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(Cc1ccccc1)C2 ZINC000014162701 557312102 /nfs/dbraw/zinc/31/21/02/557312102.db2.gz OXFQNUJLYVPJJM-UHFFFAOYSA-N 0 0 426.563 4.797 50 0 IJAARN COc1ccc(CN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@H](C)C2CC2)cc1 ZINC000032753983 557314922 /nfs/dbraw/zinc/31/49/22/557314922.db2.gz GRGCPCDLKCZMDQ-MSGBMKDASA-N 0 0 425.525 4.562 50 0 IJAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000032810830 557315529 /nfs/dbraw/zinc/31/55/29/557315529.db2.gz LQMGAINAVAFLGI-UHFFFAOYSA-N 0 0 448.335 4.921 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000102300829 557316013 /nfs/dbraw/zinc/31/60/13/557316013.db2.gz HQQZRZXSKAZLCB-UHFFFAOYSA-N 0 0 439.924 4.906 50 0 IJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)c(C)c1 ZINC000032944043 557317802 /nfs/dbraw/zinc/31/78/02/557317802.db2.gz QSVZPCPGXBKHGY-MRXNPFEDSA-N 0 0 430.595 4.650 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C1(c2ccccc2)CC1 ZINC000024434834 557319054 /nfs/dbraw/zinc/31/90/54/557319054.db2.gz YSFNBMKRELLHOV-UHFFFAOYSA-N 0 0 426.925 4.811 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc1 ZINC000033078848 557324342 /nfs/dbraw/zinc/32/43/42/557324342.db2.gz VVNVLMQWIAWHST-UHFFFAOYSA-N 0 0 438.553 4.809 50 0 IJAARN COc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1Cl ZINC000033128444 557324911 /nfs/dbraw/zinc/32/49/11/557324911.db2.gz KRBRUZGBZJRRLD-UHFFFAOYSA-N 0 0 443.956 4.749 50 0 IJAARN Cc1noc(C)c1CCNC(=O)c1cc2c(-c3cccs3)nn(-c3ccccc3)c2n1C ZINC000033277432 557329146 /nfs/dbraw/zinc/32/91/46/557329146.db2.gz IRMJTUILKXELPX-UHFFFAOYSA-N 0 0 445.548 4.670 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000102483131 557330534 /nfs/dbraw/zinc/33/05/34/557330534.db2.gz URZGKTIEKJFVGG-GYCJOSAFSA-N 0 0 426.476 4.910 50 0 IJAARN COc1ccc([C@H](C)NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289087 557332314 /nfs/dbraw/zinc/33/23/14/557332314.db2.gz SVWMMYQODHQWKZ-INIZCTEOSA-N 0 0 425.579 4.914 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)c1)N1CCCC1 ZINC000033311504 557332641 /nfs/dbraw/zinc/33/26/41/557332641.db2.gz AJHDKFRRHWXJEU-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC[C@@H]1CCCO1 ZINC000100141959 557333955 /nfs/dbraw/zinc/33/39/55/557333955.db2.gz GHSXEMHWLUJWSP-UPCLLVRISA-N 0 0 437.565 4.673 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccccc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000033516009 557335801 /nfs/dbraw/zinc/33/58/01/557335801.db2.gz HCNYPZZNLNGWAT-UHFFFAOYSA-N 0 0 434.971 4.554 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccc(OC)c1)N2 ZINC000222460313 557341321 /nfs/dbraw/zinc/34/13/21/557341321.db2.gz SGTKAQYEFNTGPF-AYBZRNKSSA-N 0 0 436.478 4.957 50 0 IJAARN Cc1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)n(C(C)(C)C)n1 ZINC000023332335 557344418 /nfs/dbraw/zinc/34/44/18/557344418.db2.gz LLUZAPDEPJUFFP-XMMPIXPASA-N 0 0 434.559 4.633 50 0 IJAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3OC)s2)c1C ZINC000014608848 557344867 /nfs/dbraw/zinc/34/48/67/557344867.db2.gz MYWVJJCBALKNDD-UHFFFAOYSA-N 0 0 428.558 4.866 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)c1 ZINC000023332555 557345348 /nfs/dbraw/zinc/34/53/48/557345348.db2.gz LUICVCWXUHHHOC-SANMLTNESA-N 0 0 430.548 4.560 50 0 IJAARN CCC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023335287 557350244 /nfs/dbraw/zinc/35/02/44/557350244.db2.gz PBLJTSXCNPJNRB-UHFFFAOYSA-N 0 0 439.581 4.993 50 0 IJAARN COC(=O)c1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023335407 557350269 /nfs/dbraw/zinc/35/02/69/557350269.db2.gz TWHZLKWTOUQWAR-DEOSSOPVSA-N 0 0 448.950 4.674 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000014677984 557354917 /nfs/dbraw/zinc/35/49/17/557354917.db2.gz OXQZDGDKDMXDMN-BQYQJAHWSA-N 0 0 428.847 4.596 50 0 IJAARN COc1ccc(OC)c(-c2c[nH]c(-c3cccc(CNC(=O)c4cccc(F)c4)c3)n2)c1 ZINC000023453250 557361526 /nfs/dbraw/zinc/36/15/26/557361526.db2.gz QNWXDLYDNLXKCS-UHFFFAOYSA-N 0 0 431.467 4.830 50 0 IJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102663082 557362068 /nfs/dbraw/zinc/36/20/68/557362068.db2.gz MWQRUOLFFTVKCY-QPTUXGOLSA-N 0 0 430.479 4.802 50 0 IJAARN O=C(c1ccc2c(c1)OCO2)N1CCC(n2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000023456809 557362728 /nfs/dbraw/zinc/36/27/28/557362728.db2.gz VLJNZXIDLWMBOR-UHFFFAOYSA-N 0 0 439.515 4.833 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000023489372 557364706 /nfs/dbraw/zinc/36/47/06/557364706.db2.gz GDHIICSJUKXLCS-OAHLLOKOSA-N 0 0 430.476 4.565 50 0 IJAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220706042 557364933 /nfs/dbraw/zinc/36/49/33/557364933.db2.gz HYUOGBLUTYTVJU-AWEZNQCLSA-N 0 0 438.484 4.687 50 0 IJAARN COc1cc(OC)c([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102704741 557366166 /nfs/dbraw/zinc/36/61/66/557366166.db2.gz HZJFKSPTKVQDIE-VOIUYBSRSA-N 0 0 446.507 4.678 50 0 IJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c(OC)c1 ZINC000102736154 557373737 /nfs/dbraw/zinc/37/37/37/557373737.db2.gz HEFZQNHGJHJKDW-ZSEKCTLFSA-N 0 0 436.443 4.855 50 0 IJAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102712494 557373965 /nfs/dbraw/zinc/37/39/65/557373965.db2.gz DOMCVTQHEFCIBE-BHDDXSALSA-N 0 0 436.870 4.839 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3F)N12 ZINC000102744498 557377059 /nfs/dbraw/zinc/37/70/59/557377059.db2.gz PRLBVAALQCUPCJ-SZNDQCEHSA-N 0 0 445.560 4.657 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000102749265 557379045 /nfs/dbraw/zinc/37/90/45/557379045.db2.gz JLBMDPCAVYQBTR-CCDWMCETSA-N 0 0 437.499 4.836 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1OCC ZINC000013669042 557382288 /nfs/dbraw/zinc/38/22/88/557382288.db2.gz VIMHFXPYGMUWKG-ZDUSSCGKSA-N 0 0 439.293 4.580 50 0 IJAARN CC(C)CCn1c(SCc2nc(N)c3ccccc3n2)nc2cc(Cl)ccc2c1=O ZINC000018330130 557387186 /nfs/dbraw/zinc/38/71/86/557387186.db2.gz YTCSPNGBFQGAAZ-UHFFFAOYSA-N 0 0 439.972 4.914 50 0 IJAARN COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)cc1OC ZINC000011694435 557392347 /nfs/dbraw/zinc/39/23/47/557392347.db2.gz CZCNVVPKWLGHEG-UHFFFAOYSA-N 0 0 447.466 4.860 50 0 IJAARN C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccccc4Br)o3)cc21 ZINC000103173681 557425351 /nfs/dbraw/zinc/42/53/51/557425351.db2.gz LPXDEYDZLDXKJB-JTQLQIEISA-N 0 0 444.310 4.530 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)[C@H]1C ZINC000103233876 557427998 /nfs/dbraw/zinc/42/79/98/557427998.db2.gz TVXDYQVOJSRYIB-FGSXEWAUSA-N 0 0 433.637 4.776 50 0 IJAARN COc1cc(C2=C(c3nc4ccccc4[nH]3)CC(c3ccccc3)=NN2)cc(OC)c1OC ZINC000104695568 557458710 /nfs/dbraw/zinc/45/87/10/557458710.db2.gz FVAPRZITTMTHOB-UHFFFAOYSA-N 0 0 440.503 4.855 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1C ZINC000004374096 557469156 /nfs/dbraw/zinc/46/91/56/557469156.db2.gz DPHXGGDUTMTFIJ-UHFFFAOYSA-N 0 0 430.533 4.939 50 0 IJAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(F)ccc2F)cs1 ZINC000014846669 557476154 /nfs/dbraw/zinc/47/61/54/557476154.db2.gz RSWYCLHQXBCYHB-UHFFFAOYSA-N 0 0 434.489 4.818 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000018366489 557498836 /nfs/dbraw/zinc/49/88/36/557498836.db2.gz KRDXEFIENVGHFK-VIFPVBQESA-N 0 0 427.536 4.945 50 0 IJAARN C[C@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N(C)c1ccccc1 ZINC000046809439 557512795 /nfs/dbraw/zinc/51/27/95/557512795.db2.gz OVFZRCVKCJQDME-CQSZACIVSA-N 0 0 436.865 4.799 50 0 IJAARN O=C(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)Nc1ccc(F)c(Cl)c1 ZINC000046913282 557513347 /nfs/dbraw/zinc/51/33/47/557513347.db2.gz WKJPELPTRIVBFJ-UHFFFAOYSA-N 0 0 427.842 4.852 50 0 IJAARN COc1ccc(CCNc2ccc(-c3nc(-c4cccc(Cl)c4)no3)nn2)cc1OC ZINC000046913990 557513522 /nfs/dbraw/zinc/51/35/22/557513522.db2.gz MBYYTFWSGFWPQV-UHFFFAOYSA-N 0 0 437.887 4.519 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000012210689 557530219 /nfs/dbraw/zinc/53/02/19/557530219.db2.gz UPGKNAYLVNNZHA-UHFFFAOYSA-N 0 0 431.492 4.928 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000044919088 557540853 /nfs/dbraw/zinc/54/08/53/557540853.db2.gz AOJUWRBDPALSIQ-QGZVFWFLSA-N 0 0 428.851 4.661 50 0 IJAARN CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479892 557542980 /nfs/dbraw/zinc/54/29/80/557542980.db2.gz POPRSSXUIMKIPQ-FGZHOGPDSA-N 0 0 446.954 4.807 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H]1C ZINC000108860772 557544238 /nfs/dbraw/zinc/54/42/38/557544238.db2.gz RWNYMRMYYVQYHZ-STSQHVNTSA-N 0 0 449.526 4.776 50 0 IJAARN COc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4)oc3C)c2C)cc1Cl ZINC000045900426 557547091 /nfs/dbraw/zinc/54/70/91/557547091.db2.gz GLGDAMCUTBQLOJ-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN Cc1ccc(Sc2ccc(N3CCC(C(=O)NCCc4cccs4)CC3)nn2)cc1 ZINC000045921653 557547613 /nfs/dbraw/zinc/54/76/13/557547613.db2.gz RFVKSJJLWVYZIY-UHFFFAOYSA-N 0 0 438.622 4.573 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941968 557551442 /nfs/dbraw/zinc/55/14/42/557551442.db2.gz AKOYHOKDMKLJEO-DEOSSOPVSA-N 0 0 443.499 4.843 50 0 IJAARN Cc1cccc2c(C(=O)N3CCN(C(=O)C(C)(C)c4ccccc4)CC3)cc(C3CC3)nc12 ZINC000040106562 557692105 /nfs/dbraw/zinc/69/21/05/557692105.db2.gz NTXFBCYKOWKPAZ-UHFFFAOYSA-N 0 0 441.575 4.683 50 0 IJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000040156097 557706435 /nfs/dbraw/zinc/70/64/35/557706435.db2.gz DXPBWSSXYGJRPG-UHFFFAOYSA-N 0 0 430.493 4.691 50 0 IJAARN O=C(c1cc2ccccc2cc1O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000225408146 557719403 /nfs/dbraw/zinc/71/94/03/557719403.db2.gz CEXAIWDPBMJCHU-JIPXPUAJSA-N 0 0 439.515 4.713 50 0 IJAARN O=C(NCCOCC(F)(F)C(F)F)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000225499631 557730798 /nfs/dbraw/zinc/73/07/98/557730798.db2.gz DHDDHGDIXQDNMS-UHFFFAOYSA-N 0 0 441.450 4.502 50 0 IJAARN COc1ccc(CSc2nc3sc(C)c(C)c3c(N)n2)c(Br)c1OC ZINC000225512228 557732896 /nfs/dbraw/zinc/73/28/96/557732896.db2.gz LGIZHJSJKGUZMP-UHFFFAOYSA-N 0 0 440.388 4.962 50 0 IJAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC000225541305 557739036 /nfs/dbraw/zinc/73/90/36/557739036.db2.gz RXZKGGIVLUFEAW-UHFFFAOYSA-N 0 0 443.396 4.520 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000000843096 557809677 /nfs/dbraw/zinc/80/96/77/557809677.db2.gz TUENRPMHQUXWGX-UHFFFAOYSA-N 0 0 442.968 4.578 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC(C)C)c(Cl)c3n2)cc1OC ZINC000000848631 557829810 /nfs/dbraw/zinc/82/98/10/557829810.db2.gz WUWFRMNZPFRVIA-UHFFFAOYSA-N 0 0 443.809 4.651 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000000866417 557839793 /nfs/dbraw/zinc/83/97/93/557839793.db2.gz QJSKXYLORXNLBU-RDJZCZTQSA-N 0 0 436.459 4.544 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc3c(c2c1=O)CCCC3 ZINC000000869094 557840435 /nfs/dbraw/zinc/84/04/35/557840435.db2.gz XLTUEOXGXAHUPE-UHFFFAOYSA-N 0 0 435.574 4.758 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000239296771 557843630 /nfs/dbraw/zinc/84/36/30/557843630.db2.gz DGYIORVYEFFGSJ-QHAWAJNXSA-N 0 0 438.405 4.757 50 0 IJAARN Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000000878155 557848661 /nfs/dbraw/zinc/84/86/61/557848661.db2.gz POKBHFPFSSQXIM-UHFFFAOYSA-N 0 0 449.502 4.794 50 0 IJAARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000003663786 557849516 /nfs/dbraw/zinc/84/95/16/557849516.db2.gz ALFYERKUZIPMQS-NRFANRHFSA-N 0 0 434.561 4.753 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000245256366 557849975 /nfs/dbraw/zinc/84/99/75/557849975.db2.gz PSCGFZKDBAPWLN-VIDCAOJFSA-N 0 0 445.563 4.529 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc(O)cc1 ZINC000000882945 557853692 /nfs/dbraw/zinc/85/36/92/557853692.db2.gz OXGXMVQNZIYDIB-UHFFFAOYSA-N 0 0 442.850 4.591 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3n2)c1 ZINC000000883796 557854540 /nfs/dbraw/zinc/85/45/40/557854540.db2.gz DCUKSRMIMXUIFC-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN O=C1S/C(=C/c2ccccc2)C(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000974959 562919882 /nfs/dbraw/zinc/91/98/82/562919882.db2.gz JJTLVOAJHVEQNZ-UEIZDATPSA-N 0 0 428.513 4.892 50 0 IJAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000001075742 562920307 /nfs/dbraw/zinc/92/03/07/562920307.db2.gz SPRRXHSRYFFKFG-JKSUJKDBSA-N 0 0 444.881 4.700 50 0 IJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001422288 562921825 /nfs/dbraw/zinc/92/18/25/562921825.db2.gz QDZROIKYSULIQJ-RUZDIDTESA-N 0 0 441.487 4.939 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC(C)(C)SC4)cc1 ZINC000001832801 562924805 /nfs/dbraw/zinc/92/48/05/562924805.db2.gz YNHYAMZHXCQELF-UHFFFAOYSA-N 0 0 430.624 4.881 50 0 aggregator IJAARN COC(=O)c1c(NC(=S)NC(=O)c2ccc(F)cc2)scc1-c1ccc(C)cc1 ZINC000002316442 562926944 /nfs/dbraw/zinc/92/69/44/562926944.db2.gz IXSFXISINAOSQI-UHFFFAOYSA-N 0 0 428.510 4.776 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2c1 ZINC000002459880 562927996 /nfs/dbraw/zinc/92/79/96/562927996.db2.gz NXDIEEQCFQCJGG-OAQYLSRUSA-N 0 0 440.565 4.579 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1C[C@@H]1CCCO1 ZINC000002636951 562928973 /nfs/dbraw/zinc/92/89/73/562928973.db2.gz DYLXBHOFEFCYKH-HNNXBMFYSA-N 0 0 446.573 4.993 50 0 IJAARN C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002653403 562929419 /nfs/dbraw/zinc/92/94/19/562929419.db2.gz MHZIWMVRYRQHPV-GFCCVEGCSA-N 0 0 434.279 4.778 50 0 IJAARN COc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000002690318 562929793 /nfs/dbraw/zinc/92/97/93/562929793.db2.gz CXWWUFKVRPGTHW-UHFFFAOYSA-N 0 0 447.874 4.672 50 0 aggregator IJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 ZINC000003024858 562931854 /nfs/dbraw/zinc/93/18/54/562931854.db2.gz NKYZUKHGGRXDQP-UHFFFAOYSA-N 0 0 440.540 4.722 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2F)cc1 ZINC000003031835 562931888 /nfs/dbraw/zinc/93/18/88/562931888.db2.gz XXKQMKVODCXQJT-UHFFFAOYSA-N 0 0 446.931 4.561 50 0 IJAARN COc1cccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)c1 ZINC000003040114 562932105 /nfs/dbraw/zinc/93/21/05/562932105.db2.gz BHCUJZZXJIFNTP-HSZRJFAPSA-N 0 0 426.944 4.593 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3N3CCOCC3)sc2Cl)cc1 ZINC000003192861 562932677 /nfs/dbraw/zinc/93/26/77/562932677.db2.gz RDGNNVYFMGWJLC-UHFFFAOYSA-N 0 0 449.985 4.518 50 0 IJAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1OCC ZINC000003231663 562933145 /nfs/dbraw/zinc/93/31/45/562933145.db2.gz SYRZQVGSRJBBIW-UHFFFAOYSA-N 0 0 425.453 4.594 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)n2)c1 ZINC000003322921 562934213 /nfs/dbraw/zinc/93/42/13/562934213.db2.gz JLFMCPQWMKMONR-SFHVURJKSA-N 0 0 440.521 4.637 50 0 IJAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)c1ncnc2sc(-c3ccccc3)cc21 ZINC000003380287 562935052 /nfs/dbraw/zinc/93/50/52/562935052.db2.gz XFXFYNLMINTBDX-UHFFFAOYSA-N 0 0 428.439 4.851 50 0 IJAARN CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1 ZINC000003420192 562935544 /nfs/dbraw/zinc/93/55/44/562935544.db2.gz HYXAMHVKRXWROP-UHFFFAOYSA-N 0 0 427.599 4.616 50 0 IJAARN O=C(NC1CCCCC1)C1(N(Cc2cccs2)C(=O)c2ccccn2)CCCCC1 ZINC000003626034 562936917 /nfs/dbraw/zinc/93/69/17/562936917.db2.gz FIFDVZFCMSONTO-UHFFFAOYSA-N 0 0 425.598 4.937 50 0 IJAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(-c4ccccc4)nn32)c1 ZINC000003634811 562937160 /nfs/dbraw/zinc/93/71/60/562937160.db2.gz PPVLHGDIWHZFSV-QHCPKHFHSA-N 0 0 437.503 4.881 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657919 562937542 /nfs/dbraw/zinc/93/75/42/562937542.db2.gz HTTLFEZENOANPZ-DNQXCXABSA-N 0 0 430.504 4.561 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)cc2)cc1OCCC ZINC000006811504 562948363 /nfs/dbraw/zinc/94/83/63/562948363.db2.gz PNIRYCLZIGXXOO-UHFFFAOYSA-N 0 0 425.485 4.640 50 0 IJAARN CCOc1ccccc1-c1nc(SCC(=O)c2ccc(OC)c(Br)c2)n[nH]1 ZINC000008587531 562950307 /nfs/dbraw/zinc/95/03/07/562950307.db2.gz SNUQHJVXWABVAL-UHFFFAOYSA-N 0 0 448.342 4.617 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccccc1F ZINC000008589968 562951403 /nfs/dbraw/zinc/95/14/03/562951403.db2.gz RVWLKOOKBRJEKD-NRFANRHFSA-N 0 0 445.454 4.613 50 0 IJAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccccc2)cc1 ZINC000008590366 562951657 /nfs/dbraw/zinc/95/16/57/562951657.db2.gz CFYRHAYKTGSDLQ-UHFFFAOYSA-N 0 0 438.940 4.756 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000008591788 562952137 /nfs/dbraw/zinc/95/21/37/562952137.db2.gz ZKGFZLZHXUQYOC-UHFFFAOYSA-N 0 0 432.455 4.540 50 0 IJAARN CCc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4ccccc4)cc-3c2=O)cc1 ZINC000008593321 562952624 /nfs/dbraw/zinc/95/26/24/562952624.db2.gz NXCQMBIUIOXEHL-UHFFFAOYSA-N 0 0 436.515 4.552 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2cc3c(cc2c1=O)OCCO3 ZINC000008598452 562954298 /nfs/dbraw/zinc/95/42/98/562954298.db2.gz ZFVXSPXJOJSUGW-UHFFFAOYSA-N 0 0 431.875 4.705 50 0 IJAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 ZINC000008598620 562954384 /nfs/dbraw/zinc/95/43/84/562954384.db2.gz YBHGBZZFESKARV-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000008598936 562954499 /nfs/dbraw/zinc/95/44/99/562954499.db2.gz DFVOBGDTAZQZDJ-UHFFFAOYSA-N 0 0 447.516 4.708 50 0 IJAARN COc1cc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc(OC)c1OC ZINC000008599118 562954636 /nfs/dbraw/zinc/95/46/36/562954636.db2.gz RBCSLENVJWHUDP-UHFFFAOYSA-N 0 0 425.462 4.594 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1 ZINC000008599281 562954648 /nfs/dbraw/zinc/95/46/48/562954648.db2.gz DNPRKSYHGAFBTA-FQEVSTJZSA-N 0 0 433.982 4.584 50 0 IJAARN CCN(CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O)c1ccccc1 ZINC000008599416 562954702 /nfs/dbraw/zinc/95/47/02/562954702.db2.gz NTUGZRNERMIDSW-UHFFFAOYSA-N 0 0 433.577 4.883 50 0 IJAARN COc1cc2ccccc2cc1C(=O)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000008601658 562955546 /nfs/dbraw/zinc/95/55/46/562955546.db2.gz ZPDVMJLMLLRGOC-UHFFFAOYSA-N 0 0 439.487 4.699 50 0 IJAARN Cc1cccc(-c2nc3cc(=O)[nH]n3c(SCCCOc3ccc(Cl)c(C)c3)n2)c1 ZINC000008603042 562955895 /nfs/dbraw/zinc/95/58/95/562955895.db2.gz VBCRGLYLZRPTEN-UHFFFAOYSA-N 0 0 440.956 4.916 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@H]2c2ccccc2)cc1 ZINC000008606553 562956990 /nfs/dbraw/zinc/95/69/90/562956990.db2.gz UVGLSPQSYDRUON-RUZDIDTESA-N 0 0 425.488 4.579 50 0 aggregator IJAARN COc1ccc(CC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1OC ZINC000008609303 562957769 /nfs/dbraw/zinc/95/77/69/562957769.db2.gz LCEBRDYUBASEIN-UHFFFAOYSA-N 0 0 430.957 4.691 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000008612750 562959316 /nfs/dbraw/zinc/95/93/16/562959316.db2.gz GYVMJQMQQAWXIC-UHFFFAOYSA-N 0 0 437.525 4.552 50 0 IJAARN COc1cccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000008619674 562959940 /nfs/dbraw/zinc/95/99/40/562959940.db2.gz JCTKOIULWYJZAA-UHFFFAOYSA-N 0 0 429.545 4.638 50 0 IJAARN Cc1cn2c(nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc2=O)s1 ZINC000008654523 562960241 /nfs/dbraw/zinc/96/02/41/562960241.db2.gz RCZTWWQSNHZDKW-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN CN(C(=O)CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)C1CCCCC1 ZINC000008801946 562964330 /nfs/dbraw/zinc/96/43/30/562964330.db2.gz IOZDANKKISHPMB-JOCHJYFZSA-N 0 0 446.576 4.542 50 0 IJAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000008860290 562965359 /nfs/dbraw/zinc/96/53/59/562965359.db2.gz LIMZFYFPZULOOM-UHFFFAOYSA-N 0 0 443.528 4.989 50 0 IJAARN COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000009111666 562967105 /nfs/dbraw/zinc/96/71/05/562967105.db2.gz VNZXNNDQTUGVJM-HSZRJFAPSA-N 0 0 438.911 4.872 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000009243695 562968444 /nfs/dbraw/zinc/96/84/44/562968444.db2.gz KHEFPWFHLNTGCL-VWLOTQADSA-N 0 0 443.478 4.718 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC ZINC000012989119 562983854 /nfs/dbraw/zinc/98/38/54/562983854.db2.gz VYWFYISQIVQXIM-UHFFFAOYSA-N 0 0 438.524 4.640 50 0 IJAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1N[C@H]3c1ccccc1)n(C)c(=O)n(C)c2=O ZINC000015834285 563018136 /nfs/dbraw/zinc/01/81/36/563018136.db2.gz XCDAGQUCKFHONX-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN COc1cccc(CNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc43)CC2)c1 ZINC000015953312 563020395 /nfs/dbraw/zinc/02/03/95/563020395.db2.gz RATWBJLBGUUSKO-UHFFFAOYSA-N 0 0 436.581 4.836 50 0 IJAARN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)c1 ZINC000020193497 563023984 /nfs/dbraw/zinc/02/39/84/563023984.db2.gz ARWLDVFFXYMIPI-XMMPIXPASA-N 0 0 449.620 4.963 50 0 IJAARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccccc4)CC3)nc2n1 ZINC000020218489 563024052 /nfs/dbraw/zinc/02/40/52/563024052.db2.gz PJYILDKXLTZUMV-UHFFFAOYSA-N 0 0 426.364 4.994 50 0 IJAARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C ZINC000034089131 563085523 /nfs/dbraw/zinc/08/55/23/563085523.db2.gz HKDLNTKNLJPAIY-WKWWZUSTSA-N 0 0 433.592 4.972 50 0 fda IJAARN O=C(CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NC1CC1 ZINC000037384124 563095879 /nfs/dbraw/zinc/09/58/79/563095879.db2.gz QFONTFCFSWRIIO-UHFFFAOYSA-N 0 0 430.483 4.704 50 0 IJAARN COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O ZINC000037866340 563095893 /nfs/dbraw/zinc/09/58/93/563095893.db2.gz GKNCBQAUZHEXLO-QHCPKHFHSA-N 0 0 442.471 4.577 50 0 IJAARN Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(N(C)C)cc4)c3N2)cc1 ZINC000000900603 568636099 /nfs/dbraw/zinc/63/60/99/568636099.db2.gz VCAKXPVLWFNIEB-WOJBJXKFSA-N 0 0 425.483 4.873 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000000934751 568638693 /nfs/dbraw/zinc/63/86/93/568638693.db2.gz KQKIOEMMNMQZGY-NVQXNPDNSA-N 0 0 425.488 4.606 50 0 IJAARN COc1ccc(CCNC(=O)c2c(C)oc3c2cc(OC(C)=O)c2ccccc32)cc1OC ZINC000000937980 568639132 /nfs/dbraw/zinc/63/91/32/568639132.db2.gz YTXNXSFQTXICQZ-UHFFFAOYSA-N 0 0 447.487 4.809 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3F)c2)n(-c2ccccn2)n1 ZINC000025141980 568639441 /nfs/dbraw/zinc/63/94/41/568639441.db2.gz FAAMJJSZZSALLU-UHFFFAOYSA-N 0 0 430.439 4.502 50 0 IJAARN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253610379 568643989 /nfs/dbraw/zinc/64/39/89/568643989.db2.gz NTIXPPFPXLYJCT-AJXRGLNZSA-N 0 0 436.677 4.525 50 0 IJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)CCc2ccccc2)cc1 ZINC000086066533 568644375 /nfs/dbraw/zinc/64/43/75/568644375.db2.gz WXQITCXFDKTTJB-UHFFFAOYSA-N 0 0 433.943 4.869 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccccc1Cl ZINC000000958637 568646315 /nfs/dbraw/zinc/64/63/15/568646315.db2.gz KIRGJONKAMXFSR-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN Cc1ccc(C)c(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959899 568646495 /nfs/dbraw/zinc/64/64/95/568646495.db2.gz WZAWVUPBELTHEW-UHFFFAOYSA-N 0 0 444.560 4.695 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959942 568646556 /nfs/dbraw/zinc/64/65/56/568646556.db2.gz JYXHULJLPDHDPD-UHFFFAOYSA-N 0 0 449.869 4.509 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)c1 ZINC000000976628 568648049 /nfs/dbraw/zinc/64/80/49/568648049.db2.gz BCDGVKRTDMAZGY-UHFFFAOYSA-N 0 0 444.516 4.573 50 0 IJAARN CCCN1C(=O)COc2cc(F)c(N(C(=O)C3CCCCC3)C(=O)C3CCCCC3)cc21 ZINC000000988137 568649049 /nfs/dbraw/zinc/64/90/49/568649049.db2.gz MQBQLQJBVJWQDK-UHFFFAOYSA-N 0 0 444.547 4.981 50 0 IJAARN CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000001002435 568650684 /nfs/dbraw/zinc/65/06/84/568650684.db2.gz KXJWTQKSXUBXFN-IAGOWNOFSA-N 0 0 428.579 4.740 50 0 IJAARN Cc1sc2ncnc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)c2c1C ZINC000001004580 568651060 /nfs/dbraw/zinc/65/10/60/568651060.db2.gz AZGLAGAZBALYNQ-INIZCTEOSA-N 0 0 429.542 4.761 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000001057890 568654496 /nfs/dbraw/zinc/65/44/96/568654496.db2.gz CGLUTXGCKWWATH-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000001088141 568658209 /nfs/dbraw/zinc/65/82/09/568658209.db2.gz QMMRCBRSMGMPBW-IRXDYDNUSA-N 0 0 437.517 4.961 50 0 IJAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052537476 568658844 /nfs/dbraw/zinc/65/88/44/568658844.db2.gz KKMZDURBYVJJMK-UHFFFAOYSA-N 0 0 432.273 4.773 50 0 IJAARN CC1(C)Cc2nc3sc(C(=O)NC[C@@H]4CCCO4)c(N)c3c(-c3ccccc3)c2C(=O)C1 ZINC000001106292 568659011 /nfs/dbraw/zinc/65/90/11/568659011.db2.gz AFLVXEALGURYPO-HNNXBMFYSA-N 0 0 449.576 4.609 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1 ZINC000001149132 568662369 /nfs/dbraw/zinc/66/23/69/568662369.db2.gz WEVJGYMZLHFLLR-HSZRJFAPSA-N 0 0 429.520 4.640 50 0 IJAARN O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccc(Cl)cc1 ZINC000001166428 568664654 /nfs/dbraw/zinc/66/46/54/568664654.db2.gz UWERZGVCFNOSCA-UHFFFAOYSA-N 0 0 444.874 4.879 50 0 biogenic IJAARN COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000257358788 568731614 /nfs/dbraw/zinc/73/16/14/568731614.db2.gz WKTMPEKHRSIDAY-PJNJDZDSSA-N 0 0 434.617 4.747 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)cc1)c1ccccc1 ZINC000263639900 568737440 /nfs/dbraw/zinc/73/74/40/568737440.db2.gz NSVDRUNJRAJQQZ-UHFFFAOYSA-N 0 0 440.830 4.839 50 0 IJAARN CCCc1sc(C(=O)N2CCN(c3ccccc3OCC)CC2)cc1Br ZINC000005946881 568739151 /nfs/dbraw/zinc/73/91/51/568739151.db2.gz RDKHWUQZANYMGN-UHFFFAOYSA-N 0 0 437.403 4.824 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000003261259 568744217 /nfs/dbraw/zinc/74/42/17/568744217.db2.gz MLZQNWZHEAPLOX-QMMMGPOBSA-N 0 0 438.094 4.644 50 0 IJAARN Cc1ccccc1NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000003266610 568744253 /nfs/dbraw/zinc/74/42/53/568744253.db2.gz LWDSJSOHINMECY-UHFFFAOYSA-N 0 0 429.398 4.948 50 0 IJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(Br)c1 ZINC000003272231 568744845 /nfs/dbraw/zinc/74/48/45/568744845.db2.gz MNNYUQADLKZZSR-UHFFFAOYSA-N 0 0 428.355 4.716 50 0 IJAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003285016 568745013 /nfs/dbraw/zinc/74/50/13/568745013.db2.gz DVUFSLCWZNEQHU-UHFFFAOYSA-N 0 0 441.698 4.569 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1 ZINC000003327489 568746220 /nfs/dbraw/zinc/74/62/20/568746220.db2.gz LDNHKQKASJSCLI-UHFFFAOYSA-N 0 0 434.330 4.978 50 0 IJAARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000003363718 568747102 /nfs/dbraw/zinc/74/71/02/568747102.db2.gz WVWHAJZOILYYAH-HNNXBMFYSA-N 0 0 434.487 4.544 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ncc(Cl)cc1Cl ZINC000003370918 568748139 /nfs/dbraw/zinc/74/81/39/568748139.db2.gz ZOLHZISNAAHCKB-UHFFFAOYSA-N 0 0 442.258 4.992 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000044170462 568749009 /nfs/dbraw/zinc/74/90/09/568749009.db2.gz HCISKCKMAAHMBS-HNNXBMFYSA-N 0 0 432.542 4.512 50 0 IJAARN CCOc1cccc(-c2noc(CSc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)n2)c1 ZINC000044169054 568749017 /nfs/dbraw/zinc/74/90/17/568749017.db2.gz YCCZLVJRTRIODO-UHFFFAOYSA-N 0 0 434.521 4.822 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)N[C@H](C)c2ccc(F)cc2)c1C ZINC000044168625 568749032 /nfs/dbraw/zinc/74/90/32/568749032.db2.gz MRRRCLIKIAFPOB-OAHLLOKOSA-N 0 0 433.487 4.537 50 0 IJAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccccc4Cl)no3)n2)c1 ZINC000044169524 568749091 /nfs/dbraw/zinc/74/90/91/568749091.db2.gz BCOWUQDVNPXEIE-UHFFFAOYSA-N 0 0 426.885 4.854 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3n2)cc1 ZINC000003649060 568752553 /nfs/dbraw/zinc/75/25/53/568752553.db2.gz VHEYGMRVTXQGRF-UYRXBGFRSA-N 0 0 443.931 4.727 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 ZINC000003649137 568752611 /nfs/dbraw/zinc/75/26/11/568752611.db2.gz OOEPVCAOXHTOHQ-HKWRFOASSA-N 0 0 439.968 4.978 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 ZINC000003649001 568752667 /nfs/dbraw/zinc/75/26/67/568752667.db2.gz FVXWHRIYJOEVHE-RGEXLXHISA-N 0 0 425.941 4.588 50 0 IJAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nnc(-c3ccccc3Cl)n12 ZINC000003651497 568752813 /nfs/dbraw/zinc/75/28/13/568752813.db2.gz RIYJFFGOUOHXAV-STZFKDTASA-N 0 0 445.931 4.598 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000003656141 568753300 /nfs/dbraw/zinc/75/33/00/568753300.db2.gz GNHXDQQYANBPFF-QFIPXVFZSA-N 0 0 449.409 4.531 50 0 IJAARN O=C(c1ccc(-c2ccccc2)nc1N1CCOCC1)N1CC=C(c2ccccc2)CC1 ZINC000299797227 568757950 /nfs/dbraw/zinc/75/79/50/568757950.db2.gz PWCHVQZLUUQRCO-UHFFFAOYSA-N 0 0 425.532 4.515 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000015353603 568759116 /nfs/dbraw/zinc/75/91/16/568759116.db2.gz QNHOJZJZQWDIEH-CCEZHUSRSA-N 0 0 428.536 4.635 50 0 IJAARN Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1cc4ccccc4nc1N(C)C)CC(=O)O2)CCC3 ZINC000263586941 568760102 /nfs/dbraw/zinc/76/01/02/568760102.db2.gz ZXIQFUPNROHRGG-GOSISDBHSA-N 0 0 440.499 4.645 50 0 biogenic IJAARN Cc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1 ZINC000078452125 568761335 /nfs/dbraw/zinc/76/13/35/568761335.db2.gz IGCRBRQFQKKVFK-UHFFFAOYSA-N 0 0 443.956 4.884 50 0 IJAARN CC(C)n1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000334157004 568762054 /nfs/dbraw/zinc/76/20/54/568762054.db2.gz JEPRDJVYEKDIEQ-UHFFFAOYSA-O 0 0 428.925 4.574 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1OCC ZINC000263616934 568776991 /nfs/dbraw/zinc/77/69/91/568776991.db2.gz LGITXROMZLHPED-IBGZPJMESA-N 0 0 439.487 4.579 50 0 IJAARN FC(F)(F)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263619182 568777872 /nfs/dbraw/zinc/77/78/72/568777872.db2.gz XIXQAESJHNHDAX-SFHVURJKSA-N 0 0 428.370 4.770 50 0 IJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263618129 568778040 /nfs/dbraw/zinc/77/80/40/568778040.db2.gz RJPKQZDPFPBBFV-KRWDZBQOSA-N 0 0 446.360 4.909 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 ZINC000001308220 568779209 /nfs/dbraw/zinc/77/92/09/568779209.db2.gz VZCJHGNPIRMTCF-UHFFFAOYSA-N 0 0 446.619 4.670 50 0 IJAARN CCc1ccc2nc(NC(=O)N[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)sc2c1 ZINC000083825570 568782599 /nfs/dbraw/zinc/78/25/99/568782599.db2.gz ZDNWIQNORJCATP-CQSZACIVSA-N 0 0 435.958 4.552 50 0 IJAARN O=C1c2ccccc2C(=O)N1CCc1csc(COc2cccc(C(F)(F)F)c2)n1 ZINC000001385081 568784327 /nfs/dbraw/zinc/78/43/27/568784327.db2.gz NBDFUBOMALKBAC-UHFFFAOYSA-N 0 0 432.423 4.580 50 0 IJAARN CCOC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1-c1ccccc1 ZINC000001387874 568784775 /nfs/dbraw/zinc/78/47/75/568784775.db2.gz DMHKBLLKVASROO-UHFFFAOYSA-N 0 0 431.366 4.755 50 0 IJAARN COC(=O)c1ccccc1SC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000001394098 568785562 /nfs/dbraw/zinc/78/55/62/568785562.db2.gz LUWGBYIMLBXUNS-FYYLOGMGSA-N 0 0 433.529 4.978 50 0 IJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)nn1 ZINC000001403857 568786749 /nfs/dbraw/zinc/78/67/49/568786749.db2.gz AJPRRONMHNNTPB-LBPRGKRZSA-N 0 0 425.794 4.778 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)n1C)c1ccc(F)cc1 ZINC000025894126 568787822 /nfs/dbraw/zinc/78/78/22/568787822.db2.gz OULRTHJBNFRNBP-ZIAGYGMSSA-N 0 0 448.951 4.545 50 0 IJAARN Cc1nn(C)c(C)c1CC(=O)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F ZINC000084012041 568789904 /nfs/dbraw/zinc/78/99/04/568789904.db2.gz QOPYIJFFTILAGG-UHFFFAOYSA-N 0 0 448.311 4.854 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)SCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000015496325 568792977 /nfs/dbraw/zinc/79/29/77/568792977.db2.gz DQVZAWQBLDCVTO-GFCCVEGCSA-N 0 0 446.939 4.559 50 0 IJAARN COc1ccc2oc(=O)c(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)cc2c1 ZINC000001430448 568794694 /nfs/dbraw/zinc/79/46/94/568794694.db2.gz OVZSIXGIWCACGQ-UHFFFAOYSA-N 0 0 425.444 4.677 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000012752867 568795659 /nfs/dbraw/zinc/79/56/59/568795659.db2.gz KIOBAUWUYZKOAV-UHFFFAOYSA-N 0 0 429.879 4.967 50 0 IJAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H](C)c1nc3ccccc3n1C(C)C)CC2 ZINC000084286960 568796626 /nfs/dbraw/zinc/79/66/26/568796626.db2.gz BOMQBFUUDOITNM-UKRRQHHQSA-N 0 0 445.489 4.717 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCO[C@@H](c2ccccc2)C1 ZINC000084525612 568798396 /nfs/dbraw/zinc/79/83/96/568798396.db2.gz CAHDLLOGHAZPCY-HXUWFJFHSA-N 0 0 438.325 4.674 50 0 IJAARN O=c1nc(SCC[S@@](=O)c2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000084558683 568798748 /nfs/dbraw/zinc/79/87/48/568798748.db2.gz WAYLOTLLJNHBQG-NDEPHWFRSA-N 0 0 430.551 4.691 50 0 IJAARN C[C@H](CCO)CNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 ZINC000084637335 568799426 /nfs/dbraw/zinc/79/94/26/568799426.db2.gz JKYCCOAHIJQLLQ-GFCCVEGCSA-N 0 0 434.359 4.866 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000015618373 568800091 /nfs/dbraw/zinc/80/00/91/568800091.db2.gz IDWABLBHHPRTIZ-CHWSQXEVSA-N 0 0 442.915 4.822 50 0 IJAARN CCOCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015677045 568804386 /nfs/dbraw/zinc/80/43/86/568804386.db2.gz XWQZFWNVQYBMKH-AREMUKBSSA-N 0 0 439.600 4.512 50 0 IJAARN CC(C)Cn1c(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)nc2cccnc21 ZINC000047147190 568804408 /nfs/dbraw/zinc/80/44/08/568804408.db2.gz PROWBZGRIZVBFS-UHFFFAOYSA-N 0 0 426.586 4.614 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CN2c3cccnc3Sc3ccccc3C2=O)c(C)c1 ZINC000015678024 568805014 /nfs/dbraw/zinc/80/50/14/568805014.db2.gz DIKSLAFFDSPWQK-UHFFFAOYSA-N 0 0 446.576 4.986 50 0 IJAARN C[C@H](NC(=O)CN1c2ccccc2Oc2ncccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000015679942 568805871 /nfs/dbraw/zinc/80/58/71/568805871.db2.gz IJBBWRBBPDYCRU-BTVKBFDZSA-N 0 0 431.536 4.555 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000015681396 568806686 /nfs/dbraw/zinc/80/66/86/568806686.db2.gz CLPKURLXBSRKIV-UHFFFAOYSA-N 0 0 428.492 4.709 50 0 IJAARN COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721424 568811935 /nfs/dbraw/zinc/81/19/35/568811935.db2.gz FFRDRSLKOSWDAN-QFIPXVFZSA-N 0 0 430.504 4.738 50 0 IJAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000015727938 568812868 /nfs/dbraw/zinc/81/28/68/568812868.db2.gz PAVWMRPZQLGGAX-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)Nc3ccc4c(c3)OCO4)c12 ZINC000015728506 568813240 /nfs/dbraw/zinc/81/32/40/568813240.db2.gz BNKWQWSXUYDCBN-UHFFFAOYSA-N 0 0 434.883 4.980 50 0 IJAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000015731963 568815087 /nfs/dbraw/zinc/81/50/87/568815087.db2.gz QUISHQXSFFHBKE-UHFFFAOYSA-N 0 0 436.562 4.566 50 0 IJAARN CCCc1nn2c(nc(CSc3ccccc3NC(=O)c3cccs3)cc2=O)s1 ZINC000015732008 568815283 /nfs/dbraw/zinc/81/52/83/568815283.db2.gz BBZVDELHTUYRQB-UHFFFAOYSA-N 0 0 442.591 4.710 50 0 IJAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000015734794 568816546 /nfs/dbraw/zinc/81/65/46/568816546.db2.gz GIZUUIMJILMBOE-UHFFFAOYSA-N 0 0 430.577 4.737 50 0 IJAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c1=O ZINC000001448165 568817485 /nfs/dbraw/zinc/81/74/85/568817485.db2.gz XKLOVVIYODCYRC-UHFFFAOYSA-N 0 0 430.412 4.725 50 0 biogenic IJAARN CCn1c(SCC(=O)NCc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001465547 568820160 /nfs/dbraw/zinc/82/01/60/568820160.db2.gz WIYPXEKBSSODBH-UHFFFAOYSA-N 0 0 449.601 4.862 50 0 IJAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 ZINC000063593422 568820664 /nfs/dbraw/zinc/82/06/64/568820664.db2.gz XKBPOJQYMHKJGQ-UHFFFAOYSA-N 0 0 440.590 4.732 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)c(C)c1 ZINC000015774156 568823135 /nfs/dbraw/zinc/82/31/35/568823135.db2.gz NGUVCLSDFYXNAS-UHFFFAOYSA-N 0 0 425.554 4.637 50 0 IJAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O ZINC000015783426 568826780 /nfs/dbraw/zinc/82/67/80/568826780.db2.gz WMWPXKWQSFJBPO-GOSISDBHSA-N 0 0 440.956 4.717 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000085649139 568830701 /nfs/dbraw/zinc/83/07/01/568830701.db2.gz SELLMBLWEDTKIG-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000085649293 568830762 /nfs/dbraw/zinc/83/07/62/568830762.db2.gz ZBZOQKOXSRJGMF-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2ccccc2C)c1C ZINC000085712575 568835624 /nfs/dbraw/zinc/83/56/24/568835624.db2.gz PKNKQFCVKXLAIW-UHFFFAOYSA-N 0 0 432.586 4.640 50 0 IJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1cccc(Br)c1)CC(=O)N2 ZINC000001509742 568836137 /nfs/dbraw/zinc/83/61/37/568836137.db2.gz QTVBOHDCXXJZAC-QFIPXVFZSA-N 0 0 435.321 4.941 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccc(OC)cc3)ncn2)C[C@H]1C)c1ccccc1 ZINC000245327473 568839397 /nfs/dbraw/zinc/83/93/97/568839397.db2.gz JLHAXLRLCXQUSO-XXBNENTESA-N 0 0 446.551 4.508 50 0 IJAARN COc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(OC)cc4)cc3s2)cc1 ZINC000001515406 568839403 /nfs/dbraw/zinc/83/94/03/568839403.db2.gz ISRKRMWTBBRCDG-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN Cc1cccc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)c1 ZINC000015827894 568841021 /nfs/dbraw/zinc/84/10/21/568841021.db2.gz QIKXUKNFEZPRFV-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(Br)cc2)c(OC)c1 ZINC000015829820 568841507 /nfs/dbraw/zinc/84/15/07/568841507.db2.gz LJHLJIQXGGTLGK-GOSISDBHSA-N 0 0 436.371 4.922 50 0 IJAARN COc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000015830552 568841592 /nfs/dbraw/zinc/84/15/92/568841592.db2.gz OUTIYKVDLCIONF-IBGZPJMESA-N 0 0 439.537 4.842 50 0 IJAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1csc(COc2ccc(F)cc2)n1 ZINC000012868099 568841607 /nfs/dbraw/zinc/84/16/07/568841607.db2.gz RBDLNRZHQVNMMK-UHFFFAOYSA-N 0 0 436.295 4.926 50 0 IJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000033814630 568842403 /nfs/dbraw/zinc/84/24/03/568842403.db2.gz UWZANWYHLVYGCG-GOSISDBHSA-N 0 0 445.635 4.548 50 0 IJAARN COc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc5ccc(=O)oc5c4)ccc3C(=O)O2)cc1 ZINC000015838294 568844295 /nfs/dbraw/zinc/84/42/95/568844295.db2.gz PXZZUVJGROSPTA-JOCHJYFZSA-N 0 0 441.439 4.508 50 0 IJAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000006134511 568845005 /nfs/dbraw/zinc/84/50/05/568845005.db2.gz IAUHLXXJUZNUHR-IBGZPJMESA-N 0 0 433.537 4.711 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccccc4F)cc3s2)cc1 ZINC000015861924 568848479 /nfs/dbraw/zinc/84/84/79/568848479.db2.gz NFTSXWDDLNYUID-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccc(Cl)c1 ZINC000015882238 568856765 /nfs/dbraw/zinc/85/67/65/568856765.db2.gz DMHRPOMLTZOEAZ-UHFFFAOYSA-N 0 0 428.945 4.588 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)Nc2ccc(C)cc2)s1 ZINC000015882644 568857299 /nfs/dbraw/zinc/85/72/99/568857299.db2.gz JNVGWFZGRYRDDY-UHFFFAOYSA-N 0 0 443.554 4.620 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883308 568857575 /nfs/dbraw/zinc/85/75/75/568857575.db2.gz QUPRVIUEUKDNHP-UHFFFAOYSA-N 0 0 439.393 4.596 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015995908 568862066 /nfs/dbraw/zinc/86/20/66/568862066.db2.gz AKPYGAHWKSRESG-UHFFFAOYSA-N 0 0 446.528 4.926 50 0 IJAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000016044143 568868719 /nfs/dbraw/zinc/86/87/19/568868719.db2.gz BGEYWQXMXFZGIT-UHFFFAOYSA-N 0 0 447.915 4.916 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3C)C2)c2ccccc12 ZINC000012942807 568870090 /nfs/dbraw/zinc/87/00/90/568870090.db2.gz SZZYKHDCBBHBHJ-NRFANRHFSA-N 0 0 430.548 4.668 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000012944711 568870565 /nfs/dbraw/zinc/87/05/65/568870565.db2.gz DERUOSYBMIISLP-XMMPIXPASA-N 0 0 428.536 4.804 50 0 IJAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@@H]1CCCc2ccccc21 ZINC000026225351 568875798 /nfs/dbraw/zinc/87/57/98/568875798.db2.gz NQKYBVMOPXESCU-HXUWFJFHSA-N 0 0 438.622 4.893 50 0 IJAARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000035478502 568882716 /nfs/dbraw/zinc/88/27/16/568882716.db2.gz JCYRQCILXKNNLV-IBGZPJMESA-N 0 0 430.689 4.890 50 0 IJAARN O=S(=O)([N-]c1ccccc1-c1cn2c(n1)CCCC2)c1ccc(Br)s1 ZINC000575621196 568883179 /nfs/dbraw/zinc/88/31/79/568883179.db2.gz WIFCHQUUNCKLEB-UHFFFAOYSA-N 0 0 438.372 4.511 50 0 IJAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000037341894 568885299 /nfs/dbraw/zinc/88/52/99/568885299.db2.gz YIFRRYWRNYMEPK-FXHACXQTSA-N 0 0 439.380 4.615 50 0 IJAARN O=C(CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000090607525 568889854 /nfs/dbraw/zinc/88/98/54/568889854.db2.gz DHBCCYZAWKTZHG-UHFFFAOYSA-N 0 0 440.849 4.787 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000012977836 568891324 /nfs/dbraw/zinc/89/13/24/568891324.db2.gz DUOFMVUWPFGCOW-UHFFFAOYSA-N 0 0 437.721 4.555 50 0 IJAARN COc1ccc(Br)c(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1 ZINC000090610586 568892244 /nfs/dbraw/zinc/89/22/44/568892244.db2.gz PVIQZLQDPIPRGS-UHFFFAOYSA-N 0 0 436.352 4.742 50 0 IJAARN CCOc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)cs2)cc1 ZINC000012983873 568895488 /nfs/dbraw/zinc/89/54/88/568895488.db2.gz PBMCCEMDIKSKSW-JOCHJYFZSA-N 0 0 439.562 4.554 50 0 IJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 ZINC000040152488 568896469 /nfs/dbraw/zinc/89/64/69/568896469.db2.gz BKRNCYYLYQOZFL-NTEUORMPSA-N 0 0 443.503 4.973 50 0 IJAARN O=C(/C=C/c1ccc(Br)o1)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000040106703 568896613 /nfs/dbraw/zinc/89/66/13/568896613.db2.gz MKXPMKBPMIZCSJ-ZRDIBKRKSA-N 0 0 425.282 4.624 50 0 IJAARN CCOc1cc(CN(CC(=O)N2c3ccccc3C[C@H]2C)C2CC2)ccc1OC(F)F ZINC000016419313 568896696 /nfs/dbraw/zinc/89/66/96/568896696.db2.gz JLBHOBOCXAYYDJ-MRXNPFEDSA-N 0 0 430.495 4.629 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000013000620 568898692 /nfs/dbraw/zinc/89/86/92/568898692.db2.gz SASXWIIDFMTEMW-UHFFFAOYSA-N 0 0 426.542 4.648 50 0 IJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000013008788 568899675 /nfs/dbraw/zinc/89/96/75/568899675.db2.gz MMCXOQXYBKJPIB-QHCPKHFHSA-N 0 0 449.526 4.927 50 0 IJAARN CC(=O)Nc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000102569019 568900185 /nfs/dbraw/zinc/90/01/85/568900185.db2.gz FGFLHERIAOSJPJ-HZHRSRAPSA-N 0 0 425.488 4.902 50 0 IJAARN Cc1cc(C)cc(N(C(=O)[C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000013012012 568901045 /nfs/dbraw/zinc/90/10/45/568901045.db2.gz CJKAKKVLSBTNKN-KRWDZBQOSA-N 0 0 444.553 4.665 50 0 IJAARN CN(Cc1ccc(Br)cc1)C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000013012101 568901081 /nfs/dbraw/zinc/90/10/81/568901081.db2.gz ZKJVNASDBWBKDU-UHFFFAOYSA-N 0 0 435.318 4.896 50 0 IJAARN COc1ccc(-c2ccc(CCC(=O)N[C@H](c3nccn3C)c3ccc(OC)cc3)o2)cc1 ZINC000016476772 568908813 /nfs/dbraw/zinc/90/88/13/568908813.db2.gz XKQVEMLXYWQKOD-VWLOTQADSA-N 0 0 445.519 4.536 50 0 IJAARN Cc1ccccc1COc1ccc(Cl)cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000006459916 568909806 /nfs/dbraw/zinc/90/98/06/568909806.db2.gz XVQUYUVBFUEOLT-LPYMAVHISA-N 0 0 432.932 4.998 50 0 IJAARN CC(C)(C)CC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000025578423 568909824 /nfs/dbraw/zinc/90/98/24/568909824.db2.gz ZHJUQUBSJPMEFR-LBPRGKRZSA-N 0 0 431.216 4.875 50 0 IJAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC[C@H]1CCCO1 ZINC000245228832 568913123 /nfs/dbraw/zinc/91/31/23/568913123.db2.gz GHSXEMHWLUJWSP-VOIUYBSRSA-N 0 0 437.565 4.673 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Br)cc21 ZINC000001824814 568915611 /nfs/dbraw/zinc/91/56/11/568915611.db2.gz CNVVUTFNFMWDSU-UHFFFAOYSA-N 0 0 433.254 4.526 50 0 IJAARN Cc1oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c(=O)c1Oc1ccccc1 ZINC000001907689 568919695 /nfs/dbraw/zinc/91/96/95/568919695.db2.gz BRJHNKZWKCLQHD-CQSZACIVSA-N 0 0 439.464 4.712 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1sc2ncccc2c1N ZINC000064370048 568920042 /nfs/dbraw/zinc/92/00/42/568920042.db2.gz LEJNUMFVNWYZBQ-UHFFFAOYSA-N 0 0 446.561 4.558 50 0 IJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)c(C)c2oc1=O ZINC000001119927 568924605 /nfs/dbraw/zinc/92/46/05/568924605.db2.gz ZBOBBMTXBFDVEZ-UHFFFAOYSA-N 0 0 449.272 4.606 50 0 biogenic IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000016613736 568925774 /nfs/dbraw/zinc/92/57/74/568925774.db2.gz DSVVZGZDIOIUMS-NRFANRHFSA-N 0 0 435.549 4.626 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc2)C(C(=O)OC)=C1C ZINC000016609306 568925778 /nfs/dbraw/zinc/92/57/78/568925778.db2.gz DAVPIZHDEMFZMU-VFNWGFHPSA-N 0 0 445.629 4.786 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(NC(=O)c3ccccc3)c2)N2CCCSC2=N1 ZINC000016613789 568925975 /nfs/dbraw/zinc/92/59/75/568925975.db2.gz SIQXIZUDVHBHQP-OAQYLSRUSA-N 0 0 435.549 4.626 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000089481824 568926810 /nfs/dbraw/zinc/92/68/10/568926810.db2.gz WGZGUQOCFWQBRL-MRXNPFEDSA-N 0 0 426.567 4.576 50 0 IJAARN COc1ccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000064450122 568928979 /nfs/dbraw/zinc/92/89/79/568928979.db2.gz RWIJRHQZYRRKIW-UHFFFAOYSA-N 0 0 449.942 4.894 50 0 IJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c32)cc1OC ZINC000064459713 568929451 /nfs/dbraw/zinc/92/94/51/568929451.db2.gz PBXWMHPBFRHSOK-ZDUSSCGKSA-N 0 0 426.542 4.506 50 0 IJAARN COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471925 568929792 /nfs/dbraw/zinc/92/97/92/568929792.db2.gz VGHNBPLSHUQVQQ-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064558326 568932014 /nfs/dbraw/zinc/93/20/14/568932014.db2.gz FOACSRSUZDTTNO-QHCPKHFHSA-N 0 0 447.556 4.939 50 0 IJAARN CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000064557828 568932162 /nfs/dbraw/zinc/93/21/62/568932162.db2.gz UUUTWMZXVQJUGE-QFIPXVFZSA-N 0 0 449.528 4.589 50 0 IJAARN COc1cccc(Oc2cc(-c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)ncn2)c1 ZINC000064568586 568933875 /nfs/dbraw/zinc/93/38/75/568933875.db2.gz YTEKHBMKTDMODJ-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN COc1ccc(Br)cc1-c1nc(Cn2nnc(-c3ccc(C)cc3)n2)cs1 ZINC000016686173 568937811 /nfs/dbraw/zinc/93/78/11/568937811.db2.gz VEMHKGZXTYLPOS-UHFFFAOYSA-N 0 0 442.342 4.591 50 0 IJAARN Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)n1-c1nccs1 ZINC000089580148 568938693 /nfs/dbraw/zinc/93/86/93/568938693.db2.gz MAEZRAUDNWTSDX-FUHWJXTLSA-N 0 0 435.471 4.518 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064656731 568942174 /nfs/dbraw/zinc/94/21/74/568942174.db2.gz AJZJVQGJOBVEFX-SFHVURJKSA-N 0 0 427.547 4.762 50 0 IJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656566 568942240 /nfs/dbraw/zinc/94/22/40/568942240.db2.gz VRVWAGUDFNTBNM-GOSISDBHSA-N 0 0 427.547 4.842 50 0 IJAARN COc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)c1 ZINC000064656850 568942309 /nfs/dbraw/zinc/94/23/09/568942309.db2.gz KOHIYYKBEMXWKI-INIZCTEOSA-N 0 0 433.938 4.717 50 0 IJAARN CCc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064656887 568942392 /nfs/dbraw/zinc/94/23/92/568942392.db2.gz RPJIINLKRHQONH-SFHVURJKSA-N 0 0 427.547 4.626 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1 ZINC000064660225 568942537 /nfs/dbraw/zinc/94/25/37/568942537.db2.gz NWJYSJDAMZYAKD-UHFFFAOYSA-N 0 0 442.606 4.881 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NC2CCCCC2)CC1 ZINC000064667998 568942960 /nfs/dbraw/zinc/94/29/60/568942960.db2.gz BUKCAWMZCCVRPD-UHFFFAOYSA-N 0 0 425.598 4.810 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000064668002 568943025 /nfs/dbraw/zinc/94/30/25/568943025.db2.gz CEHUNHRKNDYYNL-MRXNPFEDSA-N 0 0 425.598 4.666 50 0 IJAARN Cc1c(S(=O)(=O)NCc2ccc(F)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668077 568943098 /nfs/dbraw/zinc/94/30/98/568943098.db2.gz OIDVKEWYGZNTAK-UHFFFAOYSA-N 0 0 441.553 4.742 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(C)n2C)sc1C ZINC000064668337 568943118 /nfs/dbraw/zinc/94/31/18/568943118.db2.gz GHBCNOOTGYIQSP-UHFFFAOYSA-N 0 0 429.489 4.893 50 0 IJAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)N[C@H](C)CC)nn3c2NC(C)(C)C)cc1 ZINC000064703709 568944535 /nfs/dbraw/zinc/94/45/35/568944535.db2.gz XVTRZKOHWVZDTE-OAHLLOKOSA-N 0 0 442.633 4.582 50 0 IJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072421 568946121 /nfs/dbraw/zinc/94/61/21/568946121.db2.gz VXWZQVOEZUVATJ-OAHLLOKOSA-N 0 0 431.458 4.823 50 0 IJAARN COCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073674 568946625 /nfs/dbraw/zinc/94/66/25/568946625.db2.gz ITYZMLMQFRWIFD-UHFFFAOYSA-N 0 0 448.350 4.560 50 0 IJAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2cccc(F)c2)c1=O ZINC000064734243 568946853 /nfs/dbraw/zinc/94/68/53/568946853.db2.gz MCSRRQYXNAPJPR-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083759 568947412 /nfs/dbraw/zinc/94/74/12/568947412.db2.gz ROGKUXSXVSRZTN-JOCHJYFZSA-N 0 0 440.515 4.716 50 0 IJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(Br)cc3)n2)c1 ZINC000064747479 568949968 /nfs/dbraw/zinc/94/99/68/568949968.db2.gz WZSGTWMWCOKNPB-QGZVFWFLSA-N 0 0 443.301 4.877 50 0 IJAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)Nc1ccccc1F ZINC000064746997 568950388 /nfs/dbraw/zinc/95/03/88/568950388.db2.gz UPQMDIUNUQYKLN-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(C)cc4F)CC3=O)c2)cc1 ZINC000064754743 568951048 /nfs/dbraw/zinc/95/10/48/568951048.db2.gz ASPKPAQKBBOOQS-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)s2)n1 ZINC000064769362 568953134 /nfs/dbraw/zinc/95/31/34/568953134.db2.gz IPJZICZDFURHQU-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1cccc(OC)c1 ZINC000036105242 568953319 /nfs/dbraw/zinc/95/33/19/568953319.db2.gz YBCIFEIZVKJQNP-UHFFFAOYSA-N 0 0 440.565 4.636 50 0 IJAARN Cc1nc(COc2ccccc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000036107942 568954018 /nfs/dbraw/zinc/95/40/18/568954018.db2.gz YFXNZQIEDPWYFH-UHFFFAOYSA-N 0 0 427.957 4.646 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1)c1ccccc1 ZINC000064775705 568954888 /nfs/dbraw/zinc/95/48/88/568954888.db2.gz QXHOGHVURXXACV-NRFANRHFSA-N 0 0 433.533 4.776 50 0 IJAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036114247 568955105 /nfs/dbraw/zinc/95/51/05/568955105.db2.gz LFIRZMXLISKASH-UHFFFAOYSA-N 0 0 438.593 4.947 50 0 IJAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115920 568955407 /nfs/dbraw/zinc/95/54/07/568955407.db2.gz BDEYEFXRFYAIKV-IIBYNOLFSA-N 0 0 449.016 4.801 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(C)=O ZINC000036116115 568955610 /nfs/dbraw/zinc/95/56/10/568955610.db2.gz VIBOKPATQXTRFP-KKSFZXQISA-N 0 0 449.016 4.862 50 0 IJAARN CC[C@@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787485 568956293 /nfs/dbraw/zinc/95/62/93/568956293.db2.gz WPBCXPORRZWTFA-GXQSDHRMSA-N 0 0 446.595 4.560 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@@H](C)CC ZINC000036120622 568957378 /nfs/dbraw/zinc/95/73/78/568957378.db2.gz DDEFUOQDYTZKBO-FXAWDEMLSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@@H](C)CC ZINC000036120620 568957404 /nfs/dbraw/zinc/95/74/04/568957404.db2.gz DDEFUOQDYTZKBO-PXNSSMCTSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](C)CC ZINC000036121671 568957886 /nfs/dbraw/zinc/95/78/86/568957886.db2.gz SKFSZAYMMKIGTO-DYESRHJHSA-N 0 0 446.588 4.677 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C1CC1 ZINC000036121941 568958014 /nfs/dbraw/zinc/95/80/14/568958014.db2.gz WGQGNMXLZKKRPZ-GHTZIAJQSA-N 0 0 440.609 4.598 50 0 IJAARN Cn1c(SCc2cccc(Br)c2)nnc1-c1sc2ncccc2c1N ZINC000064793826 568959692 /nfs/dbraw/zinc/95/96/92/568959692.db2.gz UNTDJZOPGXSHIU-UHFFFAOYSA-N 0 0 432.372 4.729 50 0 IJAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)n1 ZINC000064801813 568961553 /nfs/dbraw/zinc/96/15/53/568961553.db2.gz JVLULMXWOKNDAQ-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)n1 ZINC000064802059 568961855 /nfs/dbraw/zinc/96/18/55/568961855.db2.gz BLSOAYIUWRSQOY-UHFFFAOYSA-N 0 0 425.558 4.686 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152403 568963531 /nfs/dbraw/zinc/96/35/31/568963531.db2.gz GPBSYOGKZSDCQR-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN C[C@H](NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)C(=O)N1CCCCC1 ZINC000064816538 568964256 /nfs/dbraw/zinc/96/42/56/568964256.db2.gz QZJNFDOGHSQDMM-HNNXBMFYSA-N 0 0 429.973 4.540 50 0 IJAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817250 568964412 /nfs/dbraw/zinc/96/44/12/568964412.db2.gz WFSCKHUXXBCLFV-UHFFFAOYSA-N 0 0 448.592 4.887 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3ccccc3)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000064819626 568966528 /nfs/dbraw/zinc/96/65/28/568966528.db2.gz DDYVSKLODWRKCN-UHFFFAOYSA-N 0 0 440.547 4.852 50 0 IJAARN CC[C@@]1(c2ccccc2)OC(c2cccc(NC(=O)c3ccc(F)cc3)c2)=NN1C(C)=O ZINC000064819956 568966869 /nfs/dbraw/zinc/96/68/69/568966869.db2.gz DUGJWCYMRYRZTJ-VWLOTQADSA-N 0 0 431.467 4.881 50 0 IJAARN O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1ccc(F)c(F)c1)c1ccccc12 ZINC000036166852 568967429 /nfs/dbraw/zinc/96/74/29/568967429.db2.gz BAIZEKPLZCEJFN-QFIPXVFZSA-N 0 0 442.512 4.615 50 0 IJAARN O=C(c1cccc(F)c1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164299 568967961 /nfs/dbraw/zinc/96/79/61/568967961.db2.gz XRBZNSZZVXQHJM-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3cccc(F)c3)C2=O)c1 ZINC000036164475 568968013 /nfs/dbraw/zinc/96/80/13/568968013.db2.gz GWJOLPVGEDRHOU-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccccc3C)C2=O)cc1 ZINC000036164407 568968042 /nfs/dbraw/zinc/96/80/42/568968042.db2.gz IHCWMQNTIWBUQZ-AREMUKBSSA-N 0 0 428.557 4.892 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@]12c1cc(F)ccc1N(Cc1ccccc1)C2=O ZINC000036165214 568968119 /nfs/dbraw/zinc/96/81/19/568968119.db2.gz OICHQUFVQGHMMX-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN O=C(C1CCC1)N1CCS[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12 ZINC000036165409 568968339 /nfs/dbraw/zinc/96/83/39/568968339.db2.gz XOJMKQMPOAGMOF-QFIPXVFZSA-N 0 0 430.932 4.554 50 0 IJAARN Cc1cccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)CC(C)C)C2=O)c1 ZINC000036165680 568968417 /nfs/dbraw/zinc/96/84/17/568968417.db2.gz QWPSEBRNQYAZNY-QHCPKHFHSA-N 0 0 428.985 4.970 50 0 IJAARN COc1ccc(Br)cc1CNc1ncnc2c(-c3ccc(C)cc3)noc21 ZINC000064835083 568969551 /nfs/dbraw/zinc/96/95/51/568969551.db2.gz ZFUKIJMEJRTUJE-UHFFFAOYSA-N 0 0 425.286 4.976 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842602 568970953 /nfs/dbraw/zinc/97/09/53/568970953.db2.gz RGJBIRAJEZKIKP-HXUWFJFHSA-N 0 0 446.507 4.521 50 0 IJAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842623 568970967 /nfs/dbraw/zinc/97/09/67/568970967.db2.gz SGUVYXGOJAKYJP-FQEVSTJZSA-N 0 0 446.507 4.575 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1C ZINC000064848095 568971425 /nfs/dbraw/zinc/97/14/25/568971425.db2.gz QZPCRWUZUOUIAY-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)N2 ZINC000064848186 568971495 /nfs/dbraw/zinc/97/14/95/568971495.db2.gz CZPFSGXAUKVNCX-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3cc(F)ccc3C)CC1)N2 ZINC000064848197 568971539 /nfs/dbraw/zinc/97/15/39/568971539.db2.gz GDCDJXWYXAUOTN-UHFFFAOYSA-N 0 0 439.556 4.647 50 0 biogenic IJAARN Cc1sc(C)c(S(=O)(=O)Nc2ccc(C)cc2Br)c1-c1ccno1 ZINC000064845102 568971985 /nfs/dbraw/zinc/97/19/85/568971985.db2.gz OCBXITDYXQQIPS-UHFFFAOYSA-N 0 0 427.345 4.892 50 0 IJAARN Cc1ccc(-c2cc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)ncn2)cc1 ZINC000064872862 568978104 /nfs/dbraw/zinc/97/81/04/568978104.db2.gz FQBKNIMZGAOEAZ-UHFFFAOYSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1cccc(-c2cc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)ncn2)c1 ZINC000064873071 568978231 /nfs/dbraw/zinc/97/82/31/568978231.db2.gz BQEDPQOKKQVSGN-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064873090 568978241 /nfs/dbraw/zinc/97/82/41/568978241.db2.gz LZSZTMFCJSGMAO-IBGZPJMESA-N 0 0 432.543 4.637 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccccc4C)cc3)n2)c1 ZINC000064873218 568978259 /nfs/dbraw/zinc/97/82/59/568978259.db2.gz MDWOBOWQJXVTTH-UHFFFAOYSA-N 0 0 425.488 4.681 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064872445 568978455 /nfs/dbraw/zinc/97/84/55/568978455.db2.gz PYGCXNZBAYGPNQ-UHFFFAOYSA-N 0 0 436.556 4.537 50 0 IJAARN COc1cc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000036246350 568981776 /nfs/dbraw/zinc/98/17/76/568981776.db2.gz QDSWDAPQIPAWJP-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246477 568981965 /nfs/dbraw/zinc/98/19/65/568981965.db2.gz OLNMZTMHARYOKY-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc([C@@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246909 568982037 /nfs/dbraw/zinc/98/20/37/568982037.db2.gz LSLCHDULQHUMDK-GOSISDBHSA-N 0 0 441.549 4.977 50 0 IJAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000036248410 568982577 /nfs/dbraw/zinc/98/25/77/568982577.db2.gz BBARGSPYBAJBJA-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN([C@@H](C(=O)NCCC(C)C)C3CCCC3)CC2)cc1 ZINC000036254614 568984790 /nfs/dbraw/zinc/98/47/90/568984790.db2.gz UHXBDLFZXABCLK-RUZDIDTESA-N 0 0 441.660 4.508 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064929934 568988232 /nfs/dbraw/zinc/98/82/32/568988232.db2.gz IXHYSRDASAAWCY-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3cc(F)ccc3F)s2)cc1 ZINC000064930631 568989021 /nfs/dbraw/zinc/98/90/21/568989021.db2.gz OYXRFGYWPJMGCR-QGZVFWFLSA-N 0 0 443.479 4.746 50 0 IJAARN Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681236 568992800 /nfs/dbraw/zinc/99/28/00/568992800.db2.gz REUXLSWYNSKUGZ-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944207 568993198 /nfs/dbraw/zinc/99/31/98/568993198.db2.gz XSDXRTAYLMHPHI-UHFFFAOYSA-N 0 0 427.599 4.814 50 0 IJAARN CSc1cccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000064944340 568993313 /nfs/dbraw/zinc/99/33/13/568993313.db2.gz IDKHNZRLXAHOBK-UHFFFAOYSA-N 0 0 445.639 4.775 50 0 IJAARN CCc1ccc(-c2csc(-c3nnn(-c4cc(Cl)c(OC)cc4OC)c3N)n2)cc1 ZINC000064948759 568994443 /nfs/dbraw/zinc/99/44/43/568994443.db2.gz HYYNPSRSRJIWLZ-UHFFFAOYSA-N 0 0 441.944 4.873 50 0 IJAARN CSc1cccc(-n2nc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc3c2=O)c1 ZINC000064950126 568995669 /nfs/dbraw/zinc/99/56/69/568995669.db2.gz NPXCKKHXHXDRFF-UHFFFAOYSA-N 0 0 430.464 4.964 50 0 IJAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c2ccccc2S1 ZINC000064952170 568997315 /nfs/dbraw/zinc/99/73/15/568997315.db2.gz LKYVSFFDYNYWHH-MRXNPFEDSA-N 0 0 448.635 4.615 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314430 568998490 /nfs/dbraw/zinc/99/84/90/568998490.db2.gz CYPHXXQXCIHZAB-LJQANCHMSA-N 0 0 427.850 4.945 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)c1ccccc1 ZINC000036313478 568998593 /nfs/dbraw/zinc/99/85/93/568998593.db2.gz OHHQKWSBKIDFGS-UHFFFAOYSA-N 0 0 446.595 4.782 50 0 IJAARN COc1cccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C(C)C)c1 ZINC000036314223 568998910 /nfs/dbraw/zinc/99/89/10/568998910.db2.gz OLKPSFSCSULBAY-UHFFFAOYSA-N 0 0 449.551 4.546 50 0 IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc(C)c6)[C@@H](C)C5)n3n2)CCC4)cc1 ZINC000169683480 568999853 /nfs/dbraw/zinc/99/98/53/568999853.db2.gz GNPMMDZMMIGGBT-FQEVSTJZSA-N 0 0 438.579 4.612 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1 ZINC000064977421 569077103 /nfs/dbraw/zinc/07/71/03/569077103.db2.gz ZCRBTLZOHQKQKW-UHFFFAOYSA-N 0 0 444.466 4.713 50 0 IJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)cc5)oc4C)ccn3n2)cc1 ZINC000064977442 569077171 /nfs/dbraw/zinc/07/71/71/569077171.db2.gz UPTIDRJPYOHAGL-UHFFFAOYSA-N 0 0 440.503 4.882 50 0 IJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064978130 569077715 /nfs/dbraw/zinc/07/77/15/569077715.db2.gz LPMQANLTCHEVST-UHFFFAOYSA-N 0 0 434.923 4.872 50 0 IJAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cc(C)c(C)cc4C)c(=O)n3n2)cc1 ZINC000064977884 569077739 /nfs/dbraw/zinc/07/77/39/569077739.db2.gz YESRNNLNVGUUFF-UHFFFAOYSA-N 0 0 436.515 4.828 50 0 IJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1ccccc1Br ZINC000064978144 569077749 /nfs/dbraw/zinc/07/77/49/569077749.db2.gz FGKDVIRCGVYPJI-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036341502 569079299 /nfs/dbraw/zinc/07/92/99/569079299.db2.gz DMEATKPSUHGCHF-AREMUKBSSA-N 0 0 443.522 4.570 50 0 IJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036344366 569080075 /nfs/dbraw/zinc/08/00/75/569080075.db2.gz LMQISMHSNJLWON-RUZDIDTESA-N 0 0 449.595 4.730 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc2c(cc1Oc1ccccc1)Oc1ccccc1NC2=O ZINC000064986604 569082228 /nfs/dbraw/zinc/08/22/28/569082228.db2.gz KKYHPWMZQCDTMS-UHFFFAOYSA-N 0 0 438.505 4.867 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)C2=O)c1 ZINC000064989028 569082910 /nfs/dbraw/zinc/08/29/10/569082910.db2.gz ZFXBISRDNQNFBZ-UHFFFAOYSA-N 0 0 444.938 4.722 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)c3ccc(Br)cc3)cc21 ZINC000064990029 569083144 /nfs/dbraw/zinc/08/31/44/569083144.db2.gz ZSCQLCVCDGXVIP-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000064990290 569083273 /nfs/dbraw/zinc/08/32/73/569083273.db2.gz OOQCHQIITMUMKW-UHFFFAOYSA-N 0 0 427.504 4.722 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1OC ZINC000064990524 569083314 /nfs/dbraw/zinc/08/33/14/569083314.db2.gz WDCOJYUNQMBKQS-KRWDZBQOSA-N 0 0 445.519 4.617 50 0 IJAARN CCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000064990858 569083455 /nfs/dbraw/zinc/08/34/55/569083455.db2.gz MSERVWJZKSUFJW-UHFFFAOYSA-N 0 0 429.520 4.918 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(C)c4C)cc32)cc1 ZINC000064990714 569083469 /nfs/dbraw/zinc/08/34/69/569083469.db2.gz MBUSBFMOTKRFBY-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN O=C(NC[C@@H](O)c1ccccc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036356874 569084492 /nfs/dbraw/zinc/08/44/92/569084492.db2.gz AITDBXZSZYVUAR-JWQCQUIFSA-N 0 0 440.543 4.593 50 0 IJAARN CCc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccc4OC)s3)c2C)cc1 ZINC000064998608 569085372 /nfs/dbraw/zinc/08/53/72/569085372.db2.gz ITZAXWZFTRFPJB-UHFFFAOYSA-N 0 0 447.564 4.509 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N4CCCc5ccccc54)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000351 569085873 /nfs/dbraw/zinc/08/58/73/569085873.db2.gz RJELCGSEYGHXLF-UHFFFAOYSA-N 0 0 440.543 4.894 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)cc1 ZINC000064999792 569086308 /nfs/dbraw/zinc/08/63/08/569086308.db2.gz ZRRXZMHFEOEQKT-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 ZINC000036359950 569086542 /nfs/dbraw/zinc/08/65/42/569086542.db2.gz XWQCYPUUUOQKQO-SFHVURJKSA-N 0 0 446.898 4.722 50 0 IJAARN O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCCC1=CCCCC1 ZINC000065005891 569087261 /nfs/dbraw/zinc/08/72/61/569087261.db2.gz FNLNQLULESRKHV-UHFFFAOYSA-N 0 0 435.568 4.954 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc1 ZINC000065008658 569087716 /nfs/dbraw/zinc/08/77/16/569087716.db2.gz VJXKSOOPTALIDS-UHFFFAOYSA-N 0 0 439.562 4.933 50 0 IJAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCCCN2CCCc3ccccc32)n1 ZINC000065010124 569088110 /nfs/dbraw/zinc/08/81/10/569088110.db2.gz RLYQFXDDAIZRQI-UHFFFAOYSA-N 0 0 430.508 4.672 50 0 IJAARN COc1ccc(OC)c([C@H]2CCN(C(=O)c3nc(-c4oc5c(cccc5C)c4C)no3)C2)c1 ZINC000065010091 569088147 /nfs/dbraw/zinc/08/81/47/569088147.db2.gz FXJKHQUCHDZLJY-INIZCTEOSA-N 0 0 447.491 4.747 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCc4ccccc4)no3)cc2)cc1 ZINC000065027045 569090175 /nfs/dbraw/zinc/09/01/75/569090175.db2.gz QYNLUMXMGIATIX-UHFFFAOYSA-N 0 0 441.487 4.744 50 0 IJAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000065033967 569091730 /nfs/dbraw/zinc/09/17/30/569091730.db2.gz URKBOZLRMNETBN-UHFFFAOYSA-N 0 0 430.435 4.845 50 0 IJAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3cccc(F)c3)cc21 ZINC000065033956 569091750 /nfs/dbraw/zinc/09/17/50/569091750.db2.gz XWEBTAIRWRDWFM-UHFFFAOYSA-N 0 0 430.435 4.845 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000036386911 569093384 /nfs/dbraw/zinc/09/33/84/569093384.db2.gz YECTYCRZIGMMHR-RUZDIDTESA-N 0 0 427.504 4.671 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(Cl)ccc3C)n2)cc1F ZINC000169754423 569093877 /nfs/dbraw/zinc/09/38/77/569093877.db2.gz VFDIGHJVXYRFSR-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000169754404 569093878 /nfs/dbraw/zinc/09/38/78/569093878.db2.gz PVXQNJYADVHPCL-UHFFFAOYSA-N 0 0 449.938 4.727 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062154 569097064 /nfs/dbraw/zinc/09/70/64/569097064.db2.gz CEMUNGGJKLFXCP-OAHLLOKOSA-N 0 0 441.018 4.694 50 0 IJAARN Cc1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000036393650 569098578 /nfs/dbraw/zinc/09/85/78/569098578.db2.gz ZSIUGBCAOXAPBY-XMMPIXPASA-N 0 0 446.507 4.617 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(SC)c2)cc1 ZINC000065074941 569099271 /nfs/dbraw/zinc/09/92/71/569099271.db2.gz POIHOOHAKLEZLH-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075082 569099372 /nfs/dbraw/zinc/09/93/72/569099372.db2.gz FSLZRIDGGYUKDP-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(Cl)cc2)C1 ZINC000065080671 569101026 /nfs/dbraw/zinc/10/10/26/569101026.db2.gz APQNFRYPYSXPKC-UKRRQHHQSA-N 0 0 431.993 4.575 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCc1ccccc1)CO2 ZINC000065082043 569102039 /nfs/dbraw/zinc/10/20/39/569102039.db2.gz NTUUHQONORJIEW-QFIPXVFZSA-N 0 0 428.532 4.547 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)CO3)c1 ZINC000065082096 569102060 /nfs/dbraw/zinc/10/20/60/569102060.db2.gz IYANKSBNHTVMML-GBXCKJPGSA-N 0 0 442.559 4.936 50 0 IJAARN Cc1ccccc1-n1nnc(C(=O)NCc2ccccc2C(F)(F)F)c1-c1ccncc1 ZINC000065083281 569102197 /nfs/dbraw/zinc/10/21/97/569102197.db2.gz XFTFCDWWZJOFIS-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@H]1COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2C1 ZINC000065082862 569102519 /nfs/dbraw/zinc/10/25/19/569102519.db2.gz MLKWJVPAYQWLCH-FQEVSTJZSA-N 0 0 434.923 4.768 50 0 IJAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 ZINC000065099373 569105089 /nfs/dbraw/zinc/10/50/89/569105089.db2.gz CDCPJOFZACHBBN-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)no2)c1 ZINC000065112028 569107952 /nfs/dbraw/zinc/10/79/52/569107952.db2.gz HOWSVOPEIGUEJQ-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(Br)c1 ZINC000065136877 569110381 /nfs/dbraw/zinc/11/03/81/569110381.db2.gz IYSKLQNNZVBLIV-QGZVFWFLSA-N 0 0 444.373 4.790 50 0 IJAARN O=C(CSc1nccc(N2CCc3ccccc3C2)n1)Nc1ccc(F)c(Cl)c1 ZINC000065151458 569111801 /nfs/dbraw/zinc/11/18/01/569111801.db2.gz GXXQLCPNHOZSAJ-UHFFFAOYSA-N 0 0 428.920 4.563 50 0 IJAARN COc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2ccccc2Br)C3)cc1 ZINC000065168836 569112715 /nfs/dbraw/zinc/11/27/15/569112715.db2.gz OCQZMYMKOAPHHO-UHFFFAOYSA-N 0 0 439.313 4.505 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)cc1 ZINC000065179586 569113560 /nfs/dbraw/zinc/11/35/60/569113560.db2.gz FFLMMYOBBQLYAA-MRXNPFEDSA-N 0 0 432.923 4.549 50 0 IJAARN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000065180137 569113738 /nfs/dbraw/zinc/11/37/38/569113738.db2.gz ARPKTYAMYQEVEN-UHFFFAOYSA-N 0 0 446.469 4.529 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCC1 ZINC000065178700 569114472 /nfs/dbraw/zinc/11/44/72/569114472.db2.gz PJLNYFNGXKJKEH-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)Nc1ccc(F)c(F)c1 ZINC000065194965 569115120 /nfs/dbraw/zinc/11/51/20/569115120.db2.gz UFVLUSFTUGBACN-UHFFFAOYSA-N 0 0 426.398 4.878 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209869 569116593 /nfs/dbraw/zinc/11/65/93/569116593.db2.gz KTDFULZIVVSVDG-OAQYLSRUSA-N 0 0 431.540 4.540 50 0 IJAARN O=C(NCc1ccccc1Cl)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000065211646 569116616 /nfs/dbraw/zinc/11/66/16/569116616.db2.gz PBAGGDZLAYPECK-UHFFFAOYSA-N 0 0 447.391 4.707 50 0 IJAARN CC(C)n1cc(C2=CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c2cccnc21 ZINC000065211870 569116692 /nfs/dbraw/zinc/11/66/92/569116692.db2.gz VLUFJMBEPBXBBE-UHFFFAOYSA-N 0 0 432.549 4.643 50 0 IJAARN Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(Cl)ccc4F)CC3)nc2)sc1C ZINC000065240799 569120856 /nfs/dbraw/zinc/12/08/56/569120856.db2.gz LUYBWCVWFOTVDN-UHFFFAOYSA-N 0 0 430.936 4.577 50 0 IJAARN CCn1ncc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1C ZINC000036615909 569122625 /nfs/dbraw/zinc/12/26/25/569122625.db2.gz RQLHGXNFSAJSNX-OAHLLOKOSA-N 0 0 428.540 4.622 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(-c4ccno4)c3)c3c(C)nn(C)c3n2)cc1 ZINC000036616783 569122870 /nfs/dbraw/zinc/12/28/70/569122870.db2.gz UPFCBXSECPMHNC-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN CC(=O)N1CCC(n2c(C)nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)CC1 ZINC000065257333 569123328 /nfs/dbraw/zinc/12/33/28/569123328.db2.gz HPZPBJNUVIZUBT-UHFFFAOYSA-N 0 0 432.524 4.728 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3C3CCCC3)c3c(C)nn(C)c3n2)cc1 ZINC000036613550 569123959 /nfs/dbraw/zinc/12/39/59/569123959.db2.gz JSQKAKYJWNVHCV-UHFFFAOYSA-N 0 0 444.539 4.825 50 0 IJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cn1 ZINC000036614314 569124126 /nfs/dbraw/zinc/12/41/26/569124126.db2.gz HLTNZZUKXKPUDM-UHFFFAOYSA-N 0 0 431.443 4.654 50 0 IJAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)nn1C ZINC000036618459 569124380 /nfs/dbraw/zinc/12/43/80/569124380.db2.gz HFUMKTAYXFROIS-UHFFFAOYSA-N 0 0 427.439 4.990 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc3c(s2)CCCC3)cs1 ZINC000013145509 569125658 /nfs/dbraw/zinc/12/56/58/569125658.db2.gz JQVVBLDWXDOTGY-UHFFFAOYSA-N 0 0 426.563 4.930 50 0 IJAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)Nc2cccc(SC)c2)C3)cc1OC ZINC000065270280 569127970 /nfs/dbraw/zinc/12/79/70/569127970.db2.gz YHTIIQYNDICKKN-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN Cn1c(CCCO)nc2cc(NC(=O)C[C@H](c3ccc(Cl)cc3)n3cccc3)ccc21 ZINC000524735176 569128083 /nfs/dbraw/zinc/12/80/83/569128083.db2.gz CLBAWVNEDKSKRF-JOCHJYFZSA-N 0 0 436.943 4.571 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N[C@@H]2C)cc1 ZINC000036635937 569128101 /nfs/dbraw/zinc/12/81/01/569128101.db2.gz VCTQDRWMWVYQIC-DWGAWOTKSA-N 0 0 436.515 4.871 50 0 IJAARN CCN(C(=O)c1c(C)oc2c1CN(Cc1ccccc1)CC2)c1cc(OC)ccc1OC ZINC000065289671 569130511 /nfs/dbraw/zinc/13/05/11/569130511.db2.gz VEWWBUPVVVJWNA-UHFFFAOYSA-N 0 0 434.536 4.830 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccn4c(c3)nnc4-c3cccc(Cl)c3)CC2)c1C ZINC000065296701 569131619 /nfs/dbraw/zinc/13/16/19/569131619.db2.gz MQJLDQYHJYGMTL-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4ccccc4F)CC3)sc12 ZINC000065299737 569132132 /nfs/dbraw/zinc/13/21/32/569132132.db2.gz AAIHENWGCIHWEQ-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4cccc(C)c4)CC3)sc12 ZINC000065299753 569132159 /nfs/dbraw/zinc/13/21/59/569132159.db2.gz GCKQKNWHEVTPTP-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)C4CCCCC4)CC3)sc12 ZINC000065299925 569132260 /nfs/dbraw/zinc/13/22/60/569132260.db2.gz KNQUEJFAPCMVQK-UHFFFAOYSA-N 0 0 437.613 4.764 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)NCc3ccc(F)c(Cl)c3)CC2)n1 ZINC000065301411 569132262 /nfs/dbraw/zinc/13/22/62/569132262.db2.gz XTOPZBNJIZEOSV-UHFFFAOYSA-N 0 0 446.979 4.887 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065300381 569132281 /nfs/dbraw/zinc/13/22/81/569132281.db2.gz BMGAVJQBOZELFL-UHFFFAOYSA-N 0 0 445.592 4.760 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)c4cccs4)CC3)sc12 ZINC000065299915 569132284 /nfs/dbraw/zinc/13/22/84/569132284.db2.gz MOXSXIUSWPFEGM-UHFFFAOYSA-N 0 0 437.594 4.559 50 0 IJAARN Cc1scc2nc(C(C)C)nc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c12 ZINC000065301495 569132404 /nfs/dbraw/zinc/13/24/04/569132404.db2.gz GLFSOKXKBGLNPS-UHFFFAOYSA-N 0 0 426.561 4.795 50 0 IJAARN C[C@H](NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1)c1ccc(F)cc1 ZINC000065306729 569133429 /nfs/dbraw/zinc/13/34/29/569133429.db2.gz GYDNRTKEJBJBQX-ZDUSSCGKSA-N 0 0 426.492 4.922 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000036708949 569136151 /nfs/dbraw/zinc/13/61/51/569136151.db2.gz LHSLGMOSTBFKCK-UHFFFAOYSA-N 0 0 446.429 4.728 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065320852 569136361 /nfs/dbraw/zinc/13/63/61/569136361.db2.gz ZDCIZVGTQRIDAH-HXUWFJFHSA-N 0 0 429.517 4.600 50 0 IJAARN O=C(NCCCN1CCCCCC1=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000036717815 569136905 /nfs/dbraw/zinc/13/69/05/569136905.db2.gz NMVBKSOAFZDPKS-UHFFFAOYSA-N 0 0 437.565 4.643 50 0 IJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(F)cc2)nc2cnc(Br)cn21 ZINC000065331629 569137304 /nfs/dbraw/zinc/13/73/04/569137304.db2.gz IPQOTLBJCFUDPJ-UHFFFAOYSA-N 0 0 441.260 4.828 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000065495702 569138792 /nfs/dbraw/zinc/13/87/92/569138792.db2.gz WAIGTKQPLYWJAU-ROUUACIJSA-N 0 0 434.540 4.628 50 0 IJAARN C[C@H](NC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000065521235 569139043 /nfs/dbraw/zinc/13/90/43/569139043.db2.gz KOZJKOVQSRMOAH-HNNXBMFYSA-N 0 0 440.519 4.808 50 0 IJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)n2)cc1 ZINC000037171003 569140491 /nfs/dbraw/zinc/14/04/91/569140491.db2.gz NEAJUWIAVKFVAR-HNNXBMFYSA-N 0 0 445.350 4.871 50 0 IJAARN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1csc(-c2ccncc2)n1 ZINC000170596478 569142046 /nfs/dbraw/zinc/14/20/46/569142046.db2.gz OSJSQXKAIVEJRS-UHFFFAOYSA-N 0 0 427.839 4.713 50 0 IJAARN COc1cccc(N[C@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2)c1 ZINC000170599984 569142645 /nfs/dbraw/zinc/14/26/45/569142645.db2.gz VIILTMYGQYNUQL-XMMPIXPASA-N 0 0 429.520 4.627 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000037277422 569145400 /nfs/dbraw/zinc/14/54/00/569145400.db2.gz NYKVXFGOKHGVKN-UHFFFAOYSA-N 0 0 435.612 4.870 50 0 IJAARN O=C(c1cccs1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000037285070 569145925 /nfs/dbraw/zinc/14/59/25/569145925.db2.gz YEMHITMIZCTGMM-UHFFFAOYSA-N 0 0 434.952 4.974 50 0 IJAARN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281127 569146044 /nfs/dbraw/zinc/14/60/44/569146044.db2.gz COWSRJMEHSCBIX-IZZNHLLZSA-N 0 0 448.607 4.953 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037281187 569146053 /nfs/dbraw/zinc/14/60/53/569146053.db2.gz BTIWNUYMOZXEDP-RPWUZVMVSA-N 0 0 440.559 4.638 50 0 IJAARN COc1cc(C)c(Br)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000170615064 569146466 /nfs/dbraw/zinc/14/64/66/569146466.db2.gz IJSUDJMVGWIFAN-UHFFFAOYSA-N 0 0 442.718 4.735 50 0 IJAARN CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000170615274 569146587 /nfs/dbraw/zinc/14/65/87/569146587.db2.gz OZLLCLWSLGNENJ-HSZRJFAPSA-N 0 0 439.968 4.946 50 0 IJAARN CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616755 569146798 /nfs/dbraw/zinc/14/67/98/569146798.db2.gz MPAJUUVDBCZPTE-REWPJTCUSA-N 0 0 447.986 4.543 50 0 IJAARN CCNC(=O)c1cccc(Oc2nc(C(F)(F)F)nc3ccc(Br)cc32)c1 ZINC000170623499 569148297 /nfs/dbraw/zinc/14/82/97/569148297.db2.gz TUWFJVIIPBRSHD-UHFFFAOYSA-N 0 0 440.219 4.953 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2Cc2ccccc2)c2ccccc2)c1 ZINC000009883583 569150110 /nfs/dbraw/zinc/15/01/10/569150110.db2.gz ZEVLLVYJEZRTMF-QFIPXVFZSA-N 0 0 429.549 4.810 50 0 IJAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1ccccc1N1CCCC1 ZINC000009909663 569150344 /nfs/dbraw/zinc/15/03/44/569150344.db2.gz WTSLXZXIQBTDIF-UHFFFAOYSA-N 0 0 429.546 4.752 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000009910066 569150478 /nfs/dbraw/zinc/15/04/78/569150478.db2.gz XKNCTOUFNIMGGR-UHFFFAOYSA-N 0 0 446.503 4.679 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)c1 ZINC000009954307 569151032 /nfs/dbraw/zinc/15/10/32/569151032.db2.gz AXSLOHXOZVZJIZ-HSZRJFAPSA-N 0 0 436.508 4.865 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nc2sc(C)c(C)c2c1=O ZINC000010023894 569151443 /nfs/dbraw/zinc/15/14/43/569151443.db2.gz PNBUMJZCLNKQFJ-CYBMUJFWSA-N 0 0 447.626 4.695 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2)c1 ZINC000010025840 569151638 /nfs/dbraw/zinc/15/16/38/569151638.db2.gz AIRLEAWLMBEMSE-NRFANRHFSA-N 0 0 436.533 4.752 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000010025526 569151691 /nfs/dbraw/zinc/15/16/91/569151691.db2.gz QYKZLWWDIYYMQY-AOUJKTHWSA-N 0 0 447.554 4.687 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)Cc3cccs3)nc21 ZINC000010060753 569152585 /nfs/dbraw/zinc/15/25/85/569152585.db2.gz HORGDHQVWJMSAU-UHFFFAOYSA-N 0 0 425.535 4.546 50 0 IJAARN COc1ccc(-c2noc(CCC(=O)N3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000010089356 569152748 /nfs/dbraw/zinc/15/27/48/569152748.db2.gz KMOKARZLYIVQEE-UHFFFAOYSA-N 0 0 448.548 4.694 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000010219987 569152798 /nfs/dbraw/zinc/15/27/98/569152798.db2.gz PYVSCHPTLCAVGZ-VWLOTQADSA-N 0 0 432.520 4.639 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc3ccccc3c2s1 ZINC000010218864 569153606 /nfs/dbraw/zinc/15/36/06/569153606.db2.gz KWUUUKPXPJUGKB-UHFFFAOYSA-N 0 0 428.510 4.781 50 0 IJAARN O=C([C@H]1COc2ccccc2O1)N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1 ZINC000010254311 569154187 /nfs/dbraw/zinc/15/41/87/569154187.db2.gz HSOJZTFHJZQYHH-LJQANCHMSA-N 0 0 437.908 4.718 50 0 IJAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)n1 ZINC000071821428 569154683 /nfs/dbraw/zinc/15/46/83/569154683.db2.gz PPMMEJCKXFCAOQ-UHFFFAOYSA-N 0 0 432.977 4.540 50 0 IJAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1 ZINC000013321883 569155006 /nfs/dbraw/zinc/15/50/06/569155006.db2.gz RQVFAOKIAPSJGF-UHFFFAOYSA-N 0 0 442.544 4.897 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000013575530 569155917 /nfs/dbraw/zinc/15/59/17/569155917.db2.gz JYEIQLSTDINSJO-UHFFFAOYSA-N 0 0 441.483 4.605 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 ZINC000013716714 569156822 /nfs/dbraw/zinc/15/68/22/569156822.db2.gz XXIOSOVUAIFTFR-UHFFFAOYSA-N 0 0 436.577 4.922 50 0 IJAARN O=C(COC(=O)c1ccncc1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000013930317 569157441 /nfs/dbraw/zinc/15/74/41/569157441.db2.gz BGUTUKRSDITNHZ-VWLOTQADSA-N 0 0 435.483 4.770 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000014286712 569158457 /nfs/dbraw/zinc/15/84/57/569158457.db2.gz NLPTVCRNWINIFW-UHFFFAOYSA-N 0 0 440.543 4.699 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000037342220 569159713 /nfs/dbraw/zinc/15/97/13/569159713.db2.gz RYUKEBKDNPVPKH-UHFFFAOYSA-N 0 0 429.307 4.538 50 0 IJAARN Cc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)nc(N2CCCCC2)n1 ZINC000089599446 569159716 /nfs/dbraw/zinc/15/97/16/569159716.db2.gz ORHGOBADYXFANN-UHFFFAOYSA-N 0 0 438.579 4.918 50 0 IJAARN COc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(OC)c3)C2)c1 ZINC000089638842 569160210 /nfs/dbraw/zinc/16/02/10/569160210.db2.gz HRUARUZEFRWEQI-DEOSSOPVSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccc(O)cc3)CC2)cc1Cl ZINC000089643344 569160399 /nfs/dbraw/zinc/16/03/99/569160399.db2.gz TVWRRBRPEAFQQR-DEOSSOPVSA-N 0 0 435.955 4.856 50 0 IJAARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000016837929 569162764 /nfs/dbraw/zinc/16/27/64/569162764.db2.gz KEFWFBNPXKMODC-UHFFFAOYSA-N 0 0 425.275 4.648 50 0 IJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(OC)cc4OC)csc3n2)cc1 ZINC000016838857 569162927 /nfs/dbraw/zinc/16/29/27/569162927.db2.gz OVEKTQUVDOXQPW-UHFFFAOYSA-N 0 0 437.521 4.660 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3nnn(-c4cc(C)cc(C)c4)c3C)c(C)o2)cc1 ZINC000016841496 569163283 /nfs/dbraw/zinc/16/32/83/569163283.db2.gz NVNCEMKSTUZUAE-UHFFFAOYSA-N 0 0 446.507 4.912 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2cccc(F)c2)c1C ZINC000016844390 569163780 /nfs/dbraw/zinc/16/37/80/569163780.db2.gz MSOKGSRMRPVKCR-UHFFFAOYSA-N 0 0 426.835 4.689 50 0 IJAARN COc1ccccc1-n1nnc(C(=O)OCc2nc(-c3ccc(Cl)cc3)oc2C)c1C ZINC000016844367 569163826 /nfs/dbraw/zinc/16/38/26/569163826.db2.gz MZNMWEOTFWAHEA-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(OCC)cc2)no1 ZINC000016845763 569163914 /nfs/dbraw/zinc/16/39/14/569163914.db2.gz VIEPJBDIIPLWHI-UHFFFAOYSA-N 0 0 442.566 4.999 50 0 IJAARN O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc2c(c1)OCO2 ZINC000016848883 569164426 /nfs/dbraw/zinc/16/44/26/569164426.db2.gz IDUABABLGSUENG-UHFFFAOYSA-N 0 0 439.924 4.694 50 0 IJAARN CC(C)c1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000016850391 569164672 /nfs/dbraw/zinc/16/46/72/569164672.db2.gz DWYYEBCHPNWPBJ-UHFFFAOYSA-N 0 0 429.567 4.595 50 0 IJAARN O=C(CCc1nc2ccccc2s1)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000089875054 569166591 /nfs/dbraw/zinc/16/65/91/569166591.db2.gz MWNHTJVNNXZQGN-UHFFFAOYSA-N 0 0 443.878 4.881 50 0 IJAARN C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)CCCSc1nc2ccccc2s1 ZINC000089904307 569167089 /nfs/dbraw/zinc/16/70/89/569167089.db2.gz BAHMWNMOKJZLSA-HNNXBMFYSA-N 0 0 438.578 4.966 50 0 IJAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccc(F)cc1 ZINC000016978041 569169222 /nfs/dbraw/zinc/16/92/22/569169222.db2.gz LMKILAOILWBVEO-UHFFFAOYSA-N 0 0 432.908 4.829 50 0 IJAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1 ZINC000016992329 569169538 /nfs/dbraw/zinc/16/95/38/569169538.db2.gz JEQMZBWHCZLMED-UHFFFAOYSA-N 0 0 428.564 4.639 50 0 IJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000017012292 569170478 /nfs/dbraw/zinc/17/04/78/569170478.db2.gz GCYYEPMTBBFSCE-UHFFFAOYSA-N 0 0 429.568 4.789 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccccc4Cl)ncn3)C[C@@H]2C)cc1 ZINC000037355795 569171001 /nfs/dbraw/zinc/17/10/01/569171001.db2.gz AYMLJZPBNXQHRX-KRWDZBQOSA-N 0 0 436.943 4.836 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4cccs4)[C@H](C)C3)ncn2)c1 ZINC000037356531 569172095 /nfs/dbraw/zinc/17/20/95/569172095.db2.gz BKMSODITUJXLNR-OAHLLOKOSA-N 0 0 428.945 4.643 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C ZINC000037356413 569172160 /nfs/dbraw/zinc/17/21/60/569172160.db2.gz GQVLARWRTFCDQP-DLBZAZTESA-N 0 0 432.515 4.801 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C ZINC000037356414 569172179 /nfs/dbraw/zinc/17/21/79/569172179.db2.gz GQVLARWRTFCDQP-IRXDYDNUSA-N 0 0 432.515 4.801 50 0 IJAARN O=C(CCC1CCCC1)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037356650 569172259 /nfs/dbraw/zinc/17/22/59/569172259.db2.gz ZJLHRYXYTVAAFK-UHFFFAOYSA-N 0 0 432.927 4.680 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356684 569172703 /nfs/dbraw/zinc/17/27/03/569172703.db2.gz OSPYHSKRQHMMFI-INIZCTEOSA-N 0 0 430.499 4.555 50 0 IJAARN Cc1cc(NC(=O)c2cccc(C)c2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017122701 569174259 /nfs/dbraw/zinc/17/42/59/569174259.db2.gz WWSKVDLNEWNAFK-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN Cc1ccccc1CNC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000009151526 569174757 /nfs/dbraw/zinc/17/47/57/569174757.db2.gz WECUWCBPSQDKAM-UHFFFAOYSA-N 0 0 435.911 4.893 50 0 IJAARN Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000009057224 569175190 /nfs/dbraw/zinc/17/51/90/569175190.db2.gz GRBQCZZIQFHQEZ-UHFFFAOYSA-N 0 0 443.347 4.774 50 0 IJAARN Cc1cccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037358571 569176167 /nfs/dbraw/zinc/17/61/67/569176167.db2.gz HYZRFZKYPGKWDV-GOSISDBHSA-N 0 0 434.931 4.617 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccnc2ccccc21 ZINC000001063214 569176567 /nfs/dbraw/zinc/17/65/67/569176567.db2.gz IJZGQFKZACYDKO-UHFFFAOYSA-N 0 0 438.516 4.608 50 0 IJAARN Cc1cnc(CSc2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3o2)o1 ZINC000170640012 569180092 /nfs/dbraw/zinc/18/00/92/569180092.db2.gz NXVLKMJBJCCRIM-UHFFFAOYSA-N 0 0 435.914 4.871 50 0 IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCc1ccccc1)nc2-c1cccs1 ZINC000037360161 569181450 /nfs/dbraw/zinc/18/14/50/569181450.db2.gz XLEHVFUNLWMSLF-UHFFFAOYSA-N 0 0 430.512 4.920 50 0 IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[C@]5(O)CCCC[C@@H]5C4)c(C)c3cc2c1C ZINC000002109595 569181900 /nfs/dbraw/zinc/18/19/00/569181900.db2.gz HCOCIDUQXBEECN-WXTAPIANSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C ZINC000002118284 569182595 /nfs/dbraw/zinc/18/25/95/569182595.db2.gz RRHIZLCOQXUPFO-RCZVLFRGSA-N 0 0 442.515 4.752 50 0 biogenic IJAARN COC(=O)c1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000002126157 569184050 /nfs/dbraw/zinc/18/40/50/569184050.db2.gz RVUYVXAQWXBMGX-UHFFFAOYSA-N 0 0 443.455 4.612 50 0 biogenic IJAARN COc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002133270 569185091 /nfs/dbraw/zinc/18/50/91/569185091.db2.gz MOAYFPFUEVNANI-XMMPIXPASA-N 0 0 437.499 4.855 50 0 biogenic IJAARN CCOc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2CC)CCCC4)cc1 ZINC000002382517 569185776 /nfs/dbraw/zinc/18/57/76/569185776.db2.gz KYYHXFVUWJIKEI-UHFFFAOYSA-N 0 0 428.579 4.730 50 0 IJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000002150195 569187190 /nfs/dbraw/zinc/18/71/90/569187190.db2.gz SXFLNKHARHCSKR-UHFFFAOYSA-N 0 0 438.483 4.679 50 0 biogenic IJAARN Cc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002149622 569187194 /nfs/dbraw/zinc/18/71/94/569187194.db2.gz ZOLCSTLPKCEHCB-SFHVURJKSA-N 0 0 443.540 4.825 50 0 biogenic IJAARN CCc1cc2c(cc1OC)oc(=O)cc2-c1cc2cc(Br)ccc2oc1=O ZINC000002153479 569187383 /nfs/dbraw/zinc/18/73/83/569187383.db2.gz YBRJEJCXDILZKM-UHFFFAOYSA-N 0 0 427.250 4.900 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000002155317 569187410 /nfs/dbraw/zinc/18/74/10/569187410.db2.gz GUBSCACWBQZAEU-DEOSSOPVSA-N 0 0 441.483 4.598 50 0 biogenic IJAARN CCCCCCN1CC(=O)N2[C@H](c3cccc(C)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002153724 569187475 /nfs/dbraw/zinc/18/74/75/569187475.db2.gz MFKUYGGSTLGCGH-JYFHCDHNSA-N 0 0 429.564 4.742 50 0 biogenic IJAARN Cc1cn(C(C)C)nc1NC(=O)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000252495405 569187942 /nfs/dbraw/zinc/18/79/42/569187942.db2.gz OPWFDCCQJJBYBV-UHFFFAOYSA-N 0 0 433.537 4.550 50 0 IJAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380250 569191576 /nfs/dbraw/zinc/19/15/76/569191576.db2.gz TXYYZBRQTGMOAK-HXUWFJFHSA-N 0 0 429.486 4.873 50 0 IJAARN COCC(=O)Nc1cccc(-n2nc(OCC(C)C)nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000037384987 569192281 /nfs/dbraw/zinc/19/22/81/569192281.db2.gz NIICPCGUVLGVPN-UHFFFAOYSA-N 0 0 448.445 4.573 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cccc(Br)c2)cs1 ZINC000002203378 569192792 /nfs/dbraw/zinc/19/27/92/569192792.db2.gz GXPCOMWRXKXSCW-KRWDZBQOSA-N 0 0 447.310 4.871 50 0 IJAARN COc1ccc(NC(=O)CCn2c(Cc3ccc(F)cc3)nc3ccccc32)cc1OC ZINC000037397122 569193033 /nfs/dbraw/zinc/19/30/33/569193033.db2.gz GNQDMVIUJLBHTQ-UHFFFAOYSA-N 0 0 433.483 4.812 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)NC(C)(C)C ZINC000037401064 569194999 /nfs/dbraw/zinc/19/49/99/569194999.db2.gz LNVDUUNEXNKUKD-KRWDZBQOSA-N 0 0 448.585 4.572 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)C ZINC000037400706 569195043 /nfs/dbraw/zinc/19/50/43/569195043.db2.gz YXJIQEZERFOYNP-SFHVURJKSA-N 0 0 433.570 4.636 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)NC(C)(C)C ZINC000037401062 569195064 /nfs/dbraw/zinc/19/50/64/569195064.db2.gz LNVDUUNEXNKUKD-QGZVFWFLSA-N 0 0 448.585 4.572 50 0 IJAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1 ZINC000037425764 569195633 /nfs/dbraw/zinc/19/56/33/569195633.db2.gz PRVRZFNFJIPDTD-HNNXBMFYSA-N 0 0 444.532 4.566 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N(CCC(=O)NC(C)C)Cc3ccccc3)cs2)c1 ZINC000037426417 569195812 /nfs/dbraw/zinc/19/58/12/569195812.db2.gz NMDYFLARDYFSPT-UHFFFAOYSA-N 0 0 436.581 4.752 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)CC(C)C)cc1 ZINC000037427945 569195888 /nfs/dbraw/zinc/19/58/88/569195888.db2.gz TWXVEPHXGNSFDB-SANMLTNESA-N 0 0 447.554 4.666 50 0 IJAARN Cc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000037435863 569196152 /nfs/dbraw/zinc/19/61/52/569196152.db2.gz HKXBBVUSRZLORL-BZZOAKBMSA-N 0 0 439.968 4.537 50 0 IJAARN CCCNC(=O)CCN(C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1)C1CC1 ZINC000037437180 569196308 /nfs/dbraw/zinc/19/63/08/569196308.db2.gz QQLCGDKFXHSXBM-UHFFFAOYSA-N 0 0 441.384 4.714 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000037443110 569197069 /nfs/dbraw/zinc/19/70/69/569197069.db2.gz IBAALCYQPXUOJQ-FXABVQRQSA-N 0 0 449.620 4.855 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)Cc2cccs2)CC1)c1ccccc1 ZINC000037524433 569198600 /nfs/dbraw/zinc/19/86/00/569198600.db2.gz LZMACPXKBATVGJ-IBGZPJMESA-N 0 0 447.604 4.567 50 0 IJAARN Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2Cc2ccc(Br)cc2)s1 ZINC000037526978 569199211 /nfs/dbraw/zinc/19/92/11/569199211.db2.gz QLERXGJSVRJYGW-MRXNPFEDSA-N 0 0 433.371 4.731 50 0 IJAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)c1 ZINC000037543492 569199583 /nfs/dbraw/zinc/19/95/83/569199583.db2.gz XPMFCFYEOFEGKS-UHFFFAOYSA-N 0 0 435.549 4.770 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2ccccc2F)cc1 ZINC000037546936 569199812 /nfs/dbraw/zinc/19/98/12/569199812.db2.gz XSZXJRAXMUJRFQ-UHFFFAOYSA-N 0 0 425.504 4.920 50 0 IJAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)N(C(=O)NCc3ccccc3)C2)c1 ZINC000037546505 569200088 /nfs/dbraw/zinc/20/00/88/569200088.db2.gz MBSMXRZHLJHIHX-FTJBHMTQSA-N 0 0 441.575 4.974 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1F ZINC000037546861 569200268 /nfs/dbraw/zinc/20/02/68/569200268.db2.gz VPCCUQFHSKTIIB-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC(C)C)c2)c1 ZINC000037601108 569202250 /nfs/dbraw/zinc/20/22/50/569202250.db2.gz ZNQKKFMCRBDNPD-UHFFFAOYSA-N 0 0 448.538 4.996 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC(C)C)cc2[C@H]1c1ccc(C)cc1 ZINC000037602829 569202524 /nfs/dbraw/zinc/20/25/24/569202524.db2.gz MEXHMGMQNIRZQM-AZGAKELHSA-N 0 0 436.596 4.809 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NC(C)C)cc2[C@H]1c1cccc(F)c1 ZINC000037603370 569202617 /nfs/dbraw/zinc/20/26/17/569202617.db2.gz KZGAKVIPMXBKOP-AVRWGWEMSA-N 0 0 440.559 4.638 50 0 IJAARN CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000037603883 569202658 /nfs/dbraw/zinc/20/26/58/569202658.db2.gz KVBDQRZGRFUKFK-CLOONOSVSA-N 0 0 446.547 4.622 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(OCC(=O)N(C)C(C)C)cc2[C@@H]1c1ccc(F)cc1 ZINC000037604601 569202759 /nfs/dbraw/zinc/20/27/59/569202759.db2.gz HRSMIWMFENFBMN-SANMLTNESA-N 0 0 440.559 4.592 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)c(C)c1 ZINC000002219856 569204376 /nfs/dbraw/zinc/20/43/76/569204376.db2.gz FZERRLODFGUEHM-UHFFFAOYSA-N 0 0 438.578 4.919 50 0 IJAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002222852 569204671 /nfs/dbraw/zinc/20/46/71/569204671.db2.gz FQWFMBOSMMOLFN-UHFFFAOYSA-N 0 0 438.553 4.588 50 0 IJAARN CNc1nc2c(s1)[C@H](c1ccc(OC)c(OCc3ccccc3Cl)c1)CC(=O)N2 ZINC000066091393 569205797 /nfs/dbraw/zinc/20/57/97/569205797.db2.gz LJKHXPDBYBMCSL-AWEZNQCLSA-N 0 0 429.929 4.900 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)s2)c1 ZINC000002227693 569207951 /nfs/dbraw/zinc/20/79/51/569207951.db2.gz ULHGYJSKHBNYEK-UHFFFAOYSA-N 0 0 438.534 4.501 50 0 IJAARN CCCCOC(=O)c1ccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)cc1 ZINC000252668794 569209793 /nfs/dbraw/zinc/20/97/93/569209793.db2.gz FPIOIMUOXUOSGI-UHFFFAOYSA-N 0 0 444.512 4.674 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000002231103 569210439 /nfs/dbraw/zinc/21/04/39/569210439.db2.gz PNIHCLIIVSHYNS-UHFFFAOYSA-N 0 0 442.471 4.958 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003031043 569211332 /nfs/dbraw/zinc/21/13/32/569211332.db2.gz MELDBTCRKBVBTH-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN Cc1ccc(Cn2c(N)c(C(=O)NCCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002234938 569211887 /nfs/dbraw/zinc/21/18/87/569211887.db2.gz OXYYSLGBXODGFO-UHFFFAOYSA-N 0 0 449.558 4.886 50 0 IJAARN CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002263675 569216012 /nfs/dbraw/zinc/21/60/12/569216012.db2.gz KDYGFVYJNDZNNA-LAUBAEHRSA-N 0 0 429.586 4.885 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000002254036 569216701 /nfs/dbraw/zinc/21/67/01/569216701.db2.gz SLVHSMFRGOFXJB-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016843861 569217437 /nfs/dbraw/zinc/21/74/37/569217437.db2.gz XFYBQWABOKOJID-UHFFFAOYSA-N 0 0 433.867 4.744 50 0 IJAARN CC(=O)CC[C@H]1C(=O)c2c(O)cc(O[C@H](C)CCCc3ccccc3)cc2N(C=O)[C@@H]1C ZINC000071769538 569258592 /nfs/dbraw/zinc/25/85/92/569258592.db2.gz RJCHLQZXSWIIAI-WOIUINJBSA-N 0 0 437.536 4.715 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C[C@H](c1cccc(Br)c1)N2 ZINC000169055406 569258949 /nfs/dbraw/zinc/25/89/49/569258949.db2.gz JIJWPFJOTYHESL-LJQANCHMSA-N 0 0 437.403 4.970 50 0 IJAARN Cc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)cc1C ZINC000027527372 569263114 /nfs/dbraw/zinc/26/31/14/569263114.db2.gz VXPLUYRXLFHXAB-UHFFFAOYSA-N 0 0 448.320 4.827 50 0 IJAARN CCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)cc1 ZINC000027527352 569263116 /nfs/dbraw/zinc/26/31/16/569263116.db2.gz BPIRFRZSCLSKSP-UHFFFAOYSA-N 0 0 448.320 4.772 50 0 IJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253403305 569265081 /nfs/dbraw/zinc/26/50/81/569265081.db2.gz HBPTZVVZNRXIEH-GOSISDBHSA-N 0 0 426.424 4.938 50 0 biogenic IJAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291752 569267994 /nfs/dbraw/zinc/26/79/94/569267994.db2.gz BOCXYECYJASHMO-UHFFFAOYSA-N 0 0 425.536 4.987 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002308458 569272000 /nfs/dbraw/zinc/27/20/00/569272000.db2.gz KHNHWZMUOWMGQP-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN CC(C)OCCCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc21 ZINC000002333392 569274678 /nfs/dbraw/zinc/27/46/78/569274678.db2.gz UZSHBTKDBZALNP-UHFFFAOYSA-N 0 0 445.567 4.824 50 0 IJAARN COc1ccc([C@H]2Oc3ccc(F)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002363156 569287851 /nfs/dbraw/zinc/28/78/51/569287851.db2.gz CTTVQNNUWJPABR-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1cccc(-c2nc3s/c(=C\c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(=O)n3n2)c1 ZINC000002376121 569289440 /nfs/dbraw/zinc/28/94/40/569289440.db2.gz QDJZGRRTTGUNLT-ZHZULCJRSA-N 0 0 447.604 4.975 50 0 IJAARN Cc1c(C)c2cc(Cl)c(OC(=O)CCCNC(=O)OCc3ccccc3)cc2oc1=O ZINC000002376617 569289468 /nfs/dbraw/zinc/28/94/68/569289468.db2.gz JVJZJRWHAQFDQW-UHFFFAOYSA-N 0 0 443.883 4.675 50 0 IJAARN CCCCc1ccc(-n2c(N)c(C(=O)O[C@@H](C)COC)c3nc4ccccc4nc32)cc1 ZINC000002378218 569289723 /nfs/dbraw/zinc/28/97/23/569289723.db2.gz AUOAVKOBWQUBET-INIZCTEOSA-N 0 0 432.524 4.690 50 0 IJAARN CC[C@H](C)NC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002388964 569295942 /nfs/dbraw/zinc/29/59/42/569295942.db2.gz RGBZDYVHSZCRKR-LBPRGKRZSA-N 0 0 427.430 4.703 50 0 IJAARN CCOCCCNC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc21 ZINC000002391816 569297807 /nfs/dbraw/zinc/29/78/07/569297807.db2.gz XISFIISCKJIRFP-KRWDZBQOSA-N 0 0 445.567 4.826 50 0 IJAARN O=C(C=Cc1ccc(Cl)cc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009990020 569298958 /nfs/dbraw/zinc/29/89/58/569298958.db2.gz YEVYJUJUGMYOQW-ZZXKWVIFSA-N 0 0 446.330 4.899 50 0 IJAARN COc1cc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc2c1OCCO2 ZINC000010025221 569299192 /nfs/dbraw/zinc/29/91/92/569299192.db2.gz TVILQWMZXJINLY-BBVFFXRHSA-N 0 0 436.533 4.843 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1OC ZINC000002404367 569300008 /nfs/dbraw/zinc/30/00/08/569300008.db2.gz OZVLFUBIKPRKRW-NRFANRHFSA-N 0 0 448.862 4.608 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000002407113 569300228 /nfs/dbraw/zinc/30/02/28/569300228.db2.gz APWJWTNHIYERST-LJQANCHMSA-N 0 0 449.558 4.966 50 0 IJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002425617 569302448 /nfs/dbraw/zinc/30/24/48/569302448.db2.gz VXWCUASCIHWPRG-UHFFFAOYSA-N 0 0 449.558 4.772 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002427982 569302780 /nfs/dbraw/zinc/30/27/80/569302780.db2.gz JWNAJZDDIINUNL-UHFFFAOYSA-N 0 0 448.523 4.910 50 0 IJAARN CCOC(=O)[C@@H]1C[C@@]2(CC[C@@H]3[C@@H]4CC=C5C=C(OC)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O ZINC000012657450 569304711 /nfs/dbraw/zinc/30/47/11/569304711.db2.gz ISJDXRXJTVVHGY-XTTUVGGNSA-N 0 0 428.569 4.954 50 0 biogenic IJAARN COc1ccc(NC(=O)N[C@H](COC(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000012952180 569305224 /nfs/dbraw/zinc/30/52/24/569305224.db2.gz BLCHWOUYSUPBNM-JOCHJYFZSA-N 0 0 435.480 4.815 50 0 IJAARN Cn1c(SCc2ccc(F)cc2)nnc1-c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000012955781 569305297 /nfs/dbraw/zinc/30/52/97/569305297.db2.gz OCMTXFOAIXCCAB-UHFFFAOYSA-N 0 0 430.512 4.890 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4ccccc4C)c(=O)c23)cc1 ZINC000012992417 569305969 /nfs/dbraw/zinc/30/59/69/569305969.db2.gz CKOKJVXVZOPNMR-UHFFFAOYSA-N 0 0 431.561 4.791 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012997365 569306106 /nfs/dbraw/zinc/30/61/06/569306106.db2.gz XYLCZDYBNGDBIP-PGMHBOJBSA-N 0 0 443.507 4.876 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1 ZINC000013009741 569306608 /nfs/dbraw/zinc/30/66/08/569306608.db2.gz RILGDPAIVWBELS-UHFFFAOYSA-N 0 0 428.496 4.592 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000013068991 569308908 /nfs/dbraw/zinc/30/89/08/569308908.db2.gz ZSADTNZFINKZEP-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2OC)cc1OCC ZINC000013075930 569309243 /nfs/dbraw/zinc/30/92/43/569309243.db2.gz JOCNQFKUAJCGIQ-INIZCTEOSA-N 0 0 430.497 4.710 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)CCC3)c1 ZINC000013112432 569310461 /nfs/dbraw/zinc/31/04/61/569310461.db2.gz RAENERMQBGSHLO-KRWDZBQOSA-N 0 0 433.529 4.534 50 0 IJAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCCC3 ZINC000013115877 569310920 /nfs/dbraw/zinc/31/09/20/569310920.db2.gz LCHHCYXGFMRKBH-AWEZNQCLSA-N 0 0 428.579 4.678 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000013142001 569311759 /nfs/dbraw/zinc/31/17/59/569311759.db2.gz DABXCWRODFKNNQ-UHFFFAOYSA-N 0 0 448.595 4.786 50 0 IJAARN CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000013347382 569313105 /nfs/dbraw/zinc/31/31/05/569313105.db2.gz IUVZTQNWEKTVRU-UHFFFAOYSA-N 0 0 436.943 4.764 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2)Nc1ccccc1Cl ZINC000013355979 569313506 /nfs/dbraw/zinc/31/35/06/569313506.db2.gz QEGIPTNECPCPCF-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN CCCCOc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1 ZINC000013358848 569313700 /nfs/dbraw/zinc/31/37/00/569313700.db2.gz RJJURHFRAJZREM-UHFFFAOYSA-N 0 0 439.581 4.577 50 0 IJAARN CCCCC(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000013368396 569314566 /nfs/dbraw/zinc/31/45/66/569314566.db2.gz UIRZVCUSYFDKIX-UHFFFAOYSA-N 0 0 440.569 4.906 50 0 IJAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4cccc(C)c4)c3)cc2=O)s1 ZINC000013368264 569314628 /nfs/dbraw/zinc/31/46/28/569314628.db2.gz VQTXSUFMCMHERY-UHFFFAOYSA-N 0 0 448.548 4.633 50 0 IJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 ZINC000078814034 569319163 /nfs/dbraw/zinc/31/91/63/569319163.db2.gz PTVAELPAGOBPEP-GUNSETOZSA-N 0 0 434.989 4.993 50 0 IJAARN CC1CN(C(=O)Cc2cccc(F)c2)c2ccccc2N(C(=O)Cc2cccc(F)c2)C1 ZINC000078899509 569320130 /nfs/dbraw/zinc/32/01/30/569320130.db2.gz LHMXYLRGHLRCHJ-UHFFFAOYSA-N 0 0 434.486 4.766 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000078939322 569320321 /nfs/dbraw/zinc/32/03/21/569320321.db2.gz MDQNHNJCGXAWKP-RHSMWYFYSA-N 0 0 439.394 4.536 50 0 IJAARN COc1cccc([C@H](C)N(CC(=O)Nc2ccccc2C(F)(F)F)c2cnn(C)c2)c1 ZINC000079014750 569322014 /nfs/dbraw/zinc/32/20/14/569322014.db2.gz YRGQISLQRVDPMH-HNNXBMFYSA-N 0 0 432.446 4.654 50 0 IJAARN CCCN(CCC)C(=O)c1ccc(NC(=O)NCCC[C@@](C)(CC)C2OCCO2)cc1 ZINC000079015157 569322015 /nfs/dbraw/zinc/32/20/15/569322015.db2.gz RWIOEDUUIVSUBM-XMMPIXPASA-N 0 0 433.593 4.640 50 0 IJAARN CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000079022469 569322456 /nfs/dbraw/zinc/32/24/56/569322456.db2.gz GLAODEFGTQNVBC-RUZDIDTESA-N 0 0 448.607 4.912 50 0 IJAARN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccco1)CC(=O)O3 ZINC000079192321 569328106 /nfs/dbraw/zinc/32/81/06/569328106.db2.gz RWCVMLCYBFWAQS-FQTAWFPPSA-N 0 0 438.476 4.908 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)c1 ZINC000019855331 569330460 /nfs/dbraw/zinc/33/04/60/569330460.db2.gz PURDNXMURFBQEQ-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000019855429 569330672 /nfs/dbraw/zinc/33/06/72/569330672.db2.gz KVZURLZXGUSUKW-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000079485630 569330973 /nfs/dbraw/zinc/33/09/73/569330973.db2.gz HIOSRYCEIXYSEN-IBGZPJMESA-N 0 0 445.350 4.784 50 0 IJAARN CC(C)COc1ccc(CCC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 ZINC000079488017 569331101 /nfs/dbraw/zinc/33/11/01/569331101.db2.gz JEXAOYPWBNECTI-UHFFFAOYSA-N 0 0 433.508 4.579 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)c2ccoc2C)c1 ZINC000020007444 569332307 /nfs/dbraw/zinc/33/23/07/569332307.db2.gz VRYAYTKXLNAETR-UHFFFAOYSA-N 0 0 442.537 4.972 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000020102036 569333961 /nfs/dbraw/zinc/33/39/61/569333961.db2.gz JWXNANZNKXVVOR-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](c3ccsc3)c3cccs3)n(C)n2)c1 ZINC000390826267 569353810 /nfs/dbraw/zinc/35/38/10/569353810.db2.gz GSSQJIPNMMNYHI-NRFANRHFSA-N 0 0 439.562 4.747 50 0 IJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCc3ccccc3)cc2N(C)C1=O ZINC000020179757 569354868 /nfs/dbraw/zinc/35/48/68/569354868.db2.gz KFSOJEDSKNAUFQ-JJIBRWJFSA-N 0 0 444.556 4.777 50 0 biogenic IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020180930 569355222 /nfs/dbraw/zinc/35/52/22/569355222.db2.gz RKJUNJUPCGJECS-BMDKHDJKSA-N 0 0 436.577 4.870 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2C(F)(F)F)CC1 ZINC000020213506 569356319 /nfs/dbraw/zinc/35/63/19/569356319.db2.gz ZSDYKHGVMJDADS-FQEVSTJZSA-N 0 0 447.457 4.893 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc(OC)c(Cl)c2)CC1 ZINC000020213517 569356508 /nfs/dbraw/zinc/35/65/08/569356508.db2.gz VUYVTQMGADVJBU-NRFANRHFSA-N 0 0 443.931 4.536 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000080324698 569362297 /nfs/dbraw/zinc/36/22/97/569362297.db2.gz LNFHQTQTSYVLAA-GOSISDBHSA-N 0 0 425.945 4.971 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)c2cc1OC ZINC000020381300 569362663 /nfs/dbraw/zinc/36/26/63/569362663.db2.gz LWJIPMYFWMFNHE-UHFFFAOYSA-N 0 0 440.565 4.630 50 0 IJAARN Cc1csc([C@@](O)(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(F)(F)F)n1 ZINC000095390004 569363454 /nfs/dbraw/zinc/36/34/54/569363454.db2.gz QFYGRLZVZLCPPT-ACJLOTCBSA-N 0 0 441.500 4.565 50 0 IJAARN CSc1nc2ccccc2c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 ZINC000020405450 569363838 /nfs/dbraw/zinc/36/38/38/569363838.db2.gz BEEZUYKNZFJOAT-UHFFFAOYSA-N 0 0 439.894 4.746 50 0 IJAARN CCOc1ccc(-c2nc(CC(=O)NCCCCCC(=O)OC(C)(C)C)cs2)cc1 ZINC000095403680 569364176 /nfs/dbraw/zinc/36/41/76/569364176.db2.gz OZKBUWJQCGJXIN-UHFFFAOYSA-N 0 0 432.586 4.770 50 0 IJAARN CC(C)CCNC(=O)Cn1c2cnccc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000020415453 569364471 /nfs/dbraw/zinc/36/44/71/569364471.db2.gz APMLNPSCZREESR-UHFFFAOYSA-N 0 0 436.503 4.905 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccnc(-n2cccn2)c1)C(F)(F)F ZINC000095406411 569364743 /nfs/dbraw/zinc/36/47/43/569364743.db2.gz WYLLYTPIWQNVHJ-FQEVSTJZSA-N 0 0 441.413 4.530 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3ccc(C)c(C)c3)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417846 569365045 /nfs/dbraw/zinc/36/50/45/569365045.db2.gz DQKDVMUDUGPEHT-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)N[C@H](C)c2ccccc2)c2nc(C)cc(C)c12 ZINC000020437615 569365566 /nfs/dbraw/zinc/36/55/66/569365566.db2.gz BOEBPRMELIOUMF-LJQANCHMSA-N 0 0 428.536 4.991 50 0 IJAARN Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000095444016 569366969 /nfs/dbraw/zinc/36/69/69/569366969.db2.gz QLNPRVGFCQDGQU-UHFFFAOYSA-N 0 0 431.414 4.816 50 0 IJAARN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000095458879 569369184 /nfs/dbraw/zinc/36/91/84/569369184.db2.gz XZJCXHHXDLNVCB-YCRPNKLZSA-N 0 0 428.579 4.950 50 0 IJAARN COc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000095459178 569369397 /nfs/dbraw/zinc/36/93/97/569369397.db2.gz HCSGYRYURNIQQS-HRAATJIYSA-N 0 0 436.556 4.515 50 0 IJAARN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095463365 569370296 /nfs/dbraw/zinc/37/02/96/569370296.db2.gz AVOQADXXNHMXAQ-BVZFJXPGSA-N 0 0 448.538 4.724 50 0 IJAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cc1 ZINC000095467033 569371072 /nfs/dbraw/zinc/37/10/72/569371072.db2.gz VAVWDMDTTFEWHK-UHFFFAOYSA-N 0 0 433.574 4.675 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCCc1ccc(Cl)cc1)N1CCOCC1 ZINC000095471171 569371901 /nfs/dbraw/zinc/37/19/01/569371901.db2.gz FSKYMIBXVXHGEL-UHFFFAOYSA-N 0 0 430.335 4.669 50 0 IJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000095476316 569372993 /nfs/dbraw/zinc/37/29/93/569372993.db2.gz DMLSXQFTGXAWAS-NRFANRHFSA-N 0 0 447.970 4.764 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Cl)cc4)c32)cc(OC)c1O ZINC000095478087 569373406 /nfs/dbraw/zinc/37/34/06/569373406.db2.gz HNQHDLCVERRLNW-IBGZPJMESA-N 0 0 431.901 4.673 50 0 IJAARN CC(=O)Nc1ccc(C)c2c1CCCN2Cc1nc(-c2cc(Br)cs2)no1 ZINC000095941533 569375380 /nfs/dbraw/zinc/37/53/80/569375380.db2.gz ORWIDHUQGWCOLY-UHFFFAOYSA-N 0 0 447.358 4.780 50 0 IJAARN COc1ccc(-c2nnc(SCc3ccc(OC)cn3)n2-c2ccc(OC)cc2)cc1 ZINC000095941651 569375548 /nfs/dbraw/zinc/37/55/48/569375548.db2.gz KVJMJWHZOSNVNS-UHFFFAOYSA-N 0 0 434.521 4.647 50 0 IJAARN COc1cccc(COc2cccc(Cl)c2CN2CCC(O)(C(F)(F)F)CC2)c1 ZINC000096003596 569379263 /nfs/dbraw/zinc/37/92/63/569379263.db2.gz NWOIREPHWCRENR-UHFFFAOYSA-N 0 0 429.866 4.817 50 0 IJAARN COCc1nc(CC(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)cs1 ZINC000096011151 569379784 /nfs/dbraw/zinc/37/97/84/569379784.db2.gz OWTBICRVYAXQIA-UHFFFAOYSA-N 0 0 433.318 4.510 50 0 IJAARN O=C(Cc1cccc2ccccc21)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096961 569381288 /nfs/dbraw/zinc/38/12/88/569381288.db2.gz XYKIKWNYROKQHQ-UHFFFAOYSA-N 0 0 425.326 4.610 50 0 IJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096947 569381351 /nfs/dbraw/zinc/38/13/51/569381351.db2.gz LNAARKLFJOXSON-UHFFFAOYSA-N 0 0 429.236 4.547 50 0 IJAARN O=C(CCc1c(Cl)cccc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099453 569381576 /nfs/dbraw/zinc/38/15/76/569381576.db2.gz IMHXSIHLRKBNKO-UHFFFAOYSA-N 0 0 444.355 4.530 50 0 IJAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2ccc(C)cc2C)cc(=O)c1O ZINC000096115994 569383508 /nfs/dbraw/zinc/38/35/08/569383508.db2.gz DFTLUFGTKKRCAJ-LJQANCHMSA-N 0 0 440.517 4.655 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117228 569384166 /nfs/dbraw/zinc/38/41/66/569384166.db2.gz GEKRGMOLZUIUON-BEFAXECRSA-N 0 0 441.532 4.722 50 0 IJAARN CCCn1c(C(=O)NCc2ccccc2-c2ccsc2)cc2c1nc1ccccn1c2=O ZINC000096122917 569385210 /nfs/dbraw/zinc/38/52/10/569385210.db2.gz QOIHHBINLOSVON-UHFFFAOYSA-N 0 0 442.544 4.718 50 0 IJAARN O=C(Nc1ccccc1Cl)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124036 569385335 /nfs/dbraw/zinc/38/53/35/569385335.db2.gz KWUGATYDZALFGA-UHFFFAOYSA-N 0 0 431.927 4.929 50 0 IJAARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccccc1OC ZINC000096230582 569387356 /nfs/dbraw/zinc/38/73/56/569387356.db2.gz WITKCUDPDDCDDS-UHFFFAOYSA-N 0 0 438.499 4.509 50 0 IJAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)ccc12 ZINC000096231441 569387633 /nfs/dbraw/zinc/38/76/33/569387633.db2.gz VICTXBVJRZSLNH-JOCHJYFZSA-N 0 0 430.504 4.799 50 0 IJAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccccc3)C(=O)CC(C)(C)C)n2)c1 ZINC000096276258 569388523 /nfs/dbraw/zinc/38/85/23/569388523.db2.gz NUPFLRVNUBVLBO-UHFFFAOYSA-N 0 0 437.540 4.761 50 0 IJAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCCOC)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096278968 569389203 /nfs/dbraw/zinc/38/92/03/569389203.db2.gz SBDDMTRBFFPLBI-UHFFFAOYSA-N 0 0 435.568 4.712 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)CC(C)(C)C ZINC000096279497 569389485 /nfs/dbraw/zinc/38/94/85/569389485.db2.gz MGMAOLCHRLZUFZ-GOSISDBHSA-N 0 0 431.989 4.974 50 0 IJAARN O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCCCC2)C1 ZINC000096280526 569389649 /nfs/dbraw/zinc/38/96/49/569389649.db2.gz VHXNOAFPJSTSLQ-QPPBQGQZSA-N 0 0 437.559 4.938 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)C1CCC1 ZINC000096290337 569390917 /nfs/dbraw/zinc/39/09/17/569390917.db2.gz NXQJWWFHCITIPV-INIZCTEOSA-N 0 0 449.544 4.529 50 0 IJAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000096292354 569391346 /nfs/dbraw/zinc/39/13/46/569391346.db2.gz KLGTUSFYLLPSOB-UHFFFAOYSA-N 0 0 433.314 4.601 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)C3CCC3)[C@H](C)c3ccccc3)n2)cc1OC ZINC000096293312 569391601 /nfs/dbraw/zinc/39/16/01/569391601.db2.gz LFVBESMLULGRDW-QGZVFWFLSA-N 0 0 435.524 4.686 50 0 IJAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1 ZINC000096315677 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/nfs/dbraw/zinc/43/57/29/569435729.db2.gz WQCYMLAQVCLFHG-UHFFFAOYSA-N 0 0 439.537 4.571 50 0 IJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)C1 ZINC000003023753 569436103 /nfs/dbraw/zinc/43/61/03/569436103.db2.gz NGNHBOMECPILHX-BETUJISGSA-N 0 0 442.915 4.537 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2F)cc1Cl ZINC000003023672 569436113 /nfs/dbraw/zinc/43/61/13/569436113.db2.gz QMSFQZVXFKWEDP-KBPBESRZSA-N 0 0 438.952 4.706 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2F)cc1Cl ZINC000003023670 569436114 /nfs/dbraw/zinc/43/61/14/569436114.db2.gz QMSFQZVXFKWEDP-OKILXGFUSA-N 0 0 438.952 4.706 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003023402 569436132 /nfs/dbraw/zinc/43/61/32/569436132.db2.gz VBVFCDRLKPXQCC-OAHLLOKOSA-N 0 0 438.952 4.993 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000003024948 569436204 /nfs/dbraw/zinc/43/62/04/569436204.db2.gz 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ZINC000057487830 569436843 /nfs/dbraw/zinc/43/68/43/569436843.db2.gz ORRHWNPRWXNPON-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1CCc1cccs1 ZINC000057489022 569436970 /nfs/dbraw/zinc/43/69/70/569436970.db2.gz QHLUBQPHRVUGGJ-UHFFFAOYSA-N 0 0 435.640 4.503 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)c(C)c1 ZINC000057488679 569437005 /nfs/dbraw/zinc/43/70/05/569437005.db2.gz XDNKMMUAVOEJAH-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1 ZINC000057489293 569437028 /nfs/dbraw/zinc/43/70/28/569437028.db2.gz JGIDYSKPPLGNCV-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)c1 ZINC000057489447 569437058 /nfs/dbraw/zinc/43/70/58/569437058.db2.gz DFWYYNMCDIBQPK-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2F)c(C)c1 ZINC000003031768 569437745 /nfs/dbraw/zinc/43/77/45/569437745.db2.gz BLZCSYHJIDVONS-HOTGVXAUSA-N 0 0 432.561 4.670 50 0 IJAARN COc1ccccc1CNC(=O)c1cnn2c1nc(C)c(Cc1c(C)cc(C)cc1C)c2C ZINC000003035568 569437930 /nfs/dbraw/zinc/43/79/30/569437930.db2.gz HPKZEMZFUSCFOF-UHFFFAOYSA-N 0 0 442.563 4.801 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)cc4C)nn3c2C)cc1 ZINC000003045731 569438653 /nfs/dbraw/zinc/43/86/53/569438653.db2.gz NPRQEXJFBMULCF-UHFFFAOYSA-N 0 0 445.592 4.988 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1 ZINC000003047723 569438722 /nfs/dbraw/zinc/43/87/22/569438722.db2.gz SPDBKJVWEKTFBI-UHFFFAOYSA-N 0 0 434.945 4.986 50 0 IJAARN O=C(Nc1ccc(Br)cc1)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000057630877 569440499 /nfs/dbraw/zinc/44/04/99/569440499.db2.gz OZJCOCHZXVPAHS-UHFFFAOYSA-N 0 0 428.286 4.800 50 0 IJAARN CC(C)CC(=O)N[C@H](Nc1cccc(I)c1)C(Cl)(Cl)Cl ZINC000003168257 569441162 /nfs/dbraw/zinc/44/11/62/569441162.db2.gz RKTYTSCVIOAHCK-LBPRGKRZSA-N 0 0 449.547 4.562 50 0 IJAARN COC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 ZINC000030205807 569441065 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O=C(COc1cccc(C(=O)NCC[C@H](c2ccco2)c2ccccc2)c1)N1CCCCC1 ZINC000670433915 569442727 /nfs/dbraw/zinc/44/27/27/569442727.db2.gz CPXGHLGYLRRFRW-DEOSSOPVSA-N 0 0 446.547 4.623 50 0 IJAARN O=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1ncc(Cl)cc1Cl ZINC000003259014 569443125 /nfs/dbraw/zinc/44/31/25/569443125.db2.gz KDQCMWHZWIDEAH-UHFFFAOYSA-N 0 0 431.275 4.616 50 0 IJAARN Cc1ccc(C(=O)[C@H]2Sc3nnc(C(F)(F)F)n3N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000003258158 569443149 /nfs/dbraw/zinc/44/31/49/569443149.db2.gz SRKWPRWSDGVEGZ-HOCLYGCPSA-N 0 0 438.862 4.901 50 0 IJAARN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1ncc(Cl)cc1Cl ZINC000003262623 569443315 /nfs/dbraw/zinc/44/33/15/569443315.db2.gz BNNZZJBYESTKOU-UHFFFAOYSA-N 0 0 440.135 4.969 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ncc(Cl)cc1Cl ZINC000003270306 569443551 /nfs/dbraw/zinc/44/35/51/569443551.db2.gz KOYUJCGORYAPCN-UHFFFAOYSA-N 0 0 430.291 4.611 50 0 IJAARN CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000003280776 569443907 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CSc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(C)cc3)cc2)c(=S)s1 ZINC000003301600 569445087 /nfs/dbraw/zinc/44/50/87/569445087.db2.gz GYKCMLDXKIQIFB-CYBMUJFWSA-N 0 0 445.591 4.878 50 0 IJAARN Cc1nc(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)c(Cl)cc1Cl ZINC000003302402 569445093 /nfs/dbraw/zinc/44/50/93/569445093.db2.gz OQNQVVISKBWJSD-UHFFFAOYSA-N 0 0 433.291 4.656 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C ZINC000003308617 569445299 /nfs/dbraw/zinc/44/52/99/569445299.db2.gz VDMLZSWBMSTCMA-UHFFFAOYSA-N 0 0 445.541 4.566 50 0 IJAARN O=C(COc1ccc(Br)cc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003313655 569445588 /nfs/dbraw/zinc/44/55/88/569445588.db2.gz RMDUYHWOHJMPCK-JOCHJYFZSA-N 0 0 425.278 4.995 50 0 IJAARN CC(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000003319162 569445848 /nfs/dbraw/zinc/44/58/48/569445848.db2.gz HITDKZWDHBFAFB-UHFFFAOYSA-N 0 0 425.945 4.686 50 0 IJAARN COc1cc(OC)c(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1OC ZINC000003329292 569446400 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COc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 ZINC000003358579 569447759 /nfs/dbraw/zinc/44/77/59/569447759.db2.gz PHPLEXZCTJDKOA-GFCCVEGCSA-N 0 0 436.459 4.629 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N[C@@H]4CCCC[C@@H]4C)ccc3c2=O)cc1 ZINC000003361637 569447907 /nfs/dbraw/zinc/44/79/07/569447907.db2.gz IULGYIXLBBGZFD-KSFYIVLOSA-N 0 0 435.520 4.851 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N[C@H]4CCCC[C@H]4C)ccc3c2=O)cc1 ZINC000003361632 569447931 /nfs/dbraw/zinc/44/79/31/569447931.db2.gz IULGYIXLBBGZFD-ZHRRBRCNSA-N 0 0 435.520 4.851 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3Cc3ccccc3)n[nH]2)cc1 ZINC000003406527 569449943 /nfs/dbraw/zinc/44/99/43/569449943.db2.gz MHOOOWXIBWGQJV-UHFFFAOYSA-N 0 0 430.533 4.802 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(I)cc1 ZINC000003409822 569450067 /nfs/dbraw/zinc/45/00/67/569450067.db2.gz XYKFZUGNNQKLNZ-SECBINFHSA-N 0 0 437.060 4.971 50 0 IJAARN CC(C)Cn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nc2ccccc2c1=O ZINC000003410770 569450083 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CC(=O)c1cccc(Oc2nc3ccccc3nc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000003457250 569451840 /nfs/dbraw/zinc/45/18/40/569451840.db2.gz TXDCAQGJHFIJAE-UHFFFAOYSA-N 0 0 447.516 4.758 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C)C[C@H]4c4ccccc4)cc3)o2)c1 ZINC000030997460 569452176 /nfs/dbraw/zinc/45/21/76/569452176.db2.gz ZFMLXPMACZKHEZ-DEOSSOPVSA-N 0 0 438.531 4.841 50 0 IJAARN COc1ccc(Cl)cc1-n1c(S[C@H]2CCOC2=O)nnc1-c1cccc(Cl)c1 ZINC000003497117 569452675 /nfs/dbraw/zinc/45/26/75/569452675.db2.gz VSSHAXVXCMNKLA-INIZCTEOSA-N 0 0 436.320 4.657 50 0 IJAARN COc1ccc(OCCCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000003560540 569454103 /nfs/dbraw/zinc/45/41/03/569454103.db2.gz ARNWURVRNGBSDD-UHFFFAOYSA-N 0 0 437.565 4.508 50 0 IJAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000003582636 569454414 /nfs/dbraw/zinc/45/44/14/569454414.db2.gz DLEPMTVMEQACRE-HSZRJFAPSA-N 0 0 437.565 4.706 50 0 IJAARN Cc1cccc(OCCN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)c1 ZINC000058438263 569454758 /nfs/dbraw/zinc/45/47/58/569454758.db2.gz XRYFBNVEQXAODN-UHFFFAOYSA-N 0 0 427.548 4.957 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000003631802 569455361 /nfs/dbraw/zinc/45/53/61/569455361.db2.gz NAVIDZFPRDZUSL-UHFFFAOYSA-N 0 0 443.862 4.858 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000003659182 569455882 /nfs/dbraw/zinc/45/58/82/569455882.db2.gz SYYXJMMEKPEVIS-QFIPXVFZSA-N 0 0 429.538 4.841 50 0 IJAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031398678 569456309 /nfs/dbraw/zinc/45/63/09/569456309.db2.gz SQGBAHDHQCIBTK-HNNXBMFYSA-N 0 0 426.875 4.815 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(SC)cc1)N2 ZINC000015830049 569457009 /nfs/dbraw/zinc/45/70/09/569457009.db2.gz CZBQDDBSIAHIKR-HXUWFJFHSA-N 0 0 439.581 4.586 50 0 IJAARN Cc1ccc(-c2nn(CN3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000031732444 569457149 /nfs/dbraw/zinc/45/71/49/569457149.db2.gz SRCNARYKKJIZFW-UHFFFAOYSA-N 0 0 444.966 4.805 50 0 IJAARN Cc1cc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC2)nc2ccccc12 ZINC000031809465 569457724 /nfs/dbraw/zinc/45/77/24/569457724.db2.gz XYFAUCPBIRTXPA-HSZRJFAPSA-N 0 0 434.927 4.626 50 0 IJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000031820100 569458045 /nfs/dbraw/zinc/45/80/45/569458045.db2.gz CKFRDTMLPQUEOA-VWLOTQADSA-N 0 0 439.559 4.841 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032095980 569459892 /nfs/dbraw/zinc/45/98/92/569459892.db2.gz UFPRGNUAICEILX-HXUWFJFHSA-N 0 0 436.314 4.557 50 0 IJAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccco2)C1 ZINC000004130774 569460305 /nfs/dbraw/zinc/46/03/05/569460305.db2.gz OFWJFOULSJGYJF-KRWDZBQOSA-N 0 0 434.293 4.989 50 0 IJAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c23)cc1 ZINC000004291035 569461860 /nfs/dbraw/zinc/46/18/60/569461860.db2.gz CNDVPAKJDBDXLL-UHFFFAOYSA-N 0 0 433.533 4.896 50 0 IJAARN CCc1cc([C@@H](c2cccs2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546561 569463722 /nfs/dbraw/zinc/46/37/22/569463722.db2.gz SDGZEFQSTARUBX-FQEVSTJZSA-N 0 0 429.611 4.944 50 0 IJAARN C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2N1 ZINC000067197414 569464397 /nfs/dbraw/zinc/46/43/97/569464397.db2.gz NXPPIUCXYHIVBE-XLKFXECMSA-N 0 0 436.217 4.537 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc2c(c1)CCC2 ZINC000067209371 569464791 /nfs/dbraw/zinc/46/47/91/569464791.db2.gz GVPAUSWBLURXEN-UHFFFAOYSA-N 0 0 447.585 4.975 50 0 IJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCCc1ccccc1 ZINC000008446299 569464890 /nfs/dbraw/zinc/46/48/90/569464890.db2.gz SYMJIOQRNAESEA-UHFFFAOYSA-N 0 0 443.494 4.712 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@H]2C)c1C ZINC000067217158 569464935 /nfs/dbraw/zinc/46/49/35/569464935.db2.gz XFAIFGVFAVOBRC-OAHLLOKOSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1C ZINC000067218375 569464999 /nfs/dbraw/zinc/46/49/99/569464999.db2.gz SCHCUKMSFXVEJK-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(C)C)c3)c2=O)c1C ZINC000067218512 569465036 /nfs/dbraw/zinc/46/50/36/569465036.db2.gz YOACUTSCUFHPDI-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)c(Cl)c1 ZINC000067235757 569465398 /nfs/dbraw/zinc/46/53/98/569465398.db2.gz RTCGFUMQYNHSCH-UHFFFAOYSA-N 0 0 441.318 4.656 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238062 569465564 /nfs/dbraw/zinc/46/55/64/569465564.db2.gz WVZWQTAHFLVOLC-UHFFFAOYSA-N 0 0 432.977 4.772 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3Cl)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238231 569465567 /nfs/dbraw/zinc/46/55/67/569465567.db2.gz CLZYXDNQOIEALK-UHFFFAOYSA-N 0 0 436.940 4.602 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000038654135 569465796 /nfs/dbraw/zinc/46/57/96/569465796.db2.gz SZJXGWWZVWBCAK-UHFFFAOYSA-N 0 0 440.544 4.581 50 0 IJAARN COc1cccc2cc(-c3csc(Cc4nc(-c5ccc(F)cc5)no4)n3)c(=O)oc21 ZINC000067246097 569465945 /nfs/dbraw/zinc/46/59/45/569465945.db2.gz TWZFPWRFPQHCTL-UHFFFAOYSA-N 0 0 435.436 4.705 50 0 IJAARN COc1cccc(-c2cc3c(N4CCN(c5cc(Cl)ccc5C)CC4)nccn3n2)c1 ZINC000067284910 569466799 /nfs/dbraw/zinc/46/67/99/569466799.db2.gz QCYXQQPQLDBPFX-UHFFFAOYSA-N 0 0 433.943 4.693 50 0 IJAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c(OC)c1 ZINC000067293161 569467789 /nfs/dbraw/zinc/46/77/89/569467789.db2.gz RZNZHPMWCKMXDC-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN CSc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067293089 569467798 /nfs/dbraw/zinc/46/77/98/569467798.db2.gz ITUVRFRCEUTAAC-JUZPYSENSA-N 0 0 428.941 4.949 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)C1(N2C(=O)C[C@@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000038856593 569469309 /nfs/dbraw/zinc/46/93/09/569469309.db2.gz OWVNNSJTFJFIIR-HXUWFJFHSA-N 0 0 431.492 4.512 50 0 IJAARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000008667411 569469957 /nfs/dbraw/zinc/46/99/57/569469957.db2.gz PREDZMFUZQPYEC-UHFFFAOYSA-N 0 0 430.761 4.602 50 0 IJAARN Clc1cccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)n2)c1 ZINC000008705503 569470394 /nfs/dbraw/zinc/47/03/94/569470394.db2.gz VZIDNFPPKJBZMP-HNNXBMFYSA-N 0 0 428.857 4.578 50 0 IJAARN Cc1cc(C(=O)Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(C)cc2)c(C)n1C ZINC000008706451 569470515 /nfs/dbraw/zinc/47/05/15/569470515.db2.gz SNXMRWRLIDYZFT-GOSISDBHSA-N 0 0 428.536 4.674 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000008707654 569470629 /nfs/dbraw/zinc/47/06/29/569470629.db2.gz MHEQEBHHPJZUEW-UHFFFAOYSA-N 0 0 446.576 4.977 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008716102 569471073 /nfs/dbraw/zinc/47/10/73/569471073.db2.gz QFXYYLLMNJOADX-CVEARBPZSA-N 0 0 446.528 4.970 50 0 IJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000008718395 569471282 /nfs/dbraw/zinc/47/12/82/569471282.db2.gz LOZRBOVVCWGSDZ-UHFFFAOYSA-N 0 0 436.483 4.514 50 0 IJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008719129 569471399 /nfs/dbraw/zinc/47/13/99/569471399.db2.gz OSBLHAFGFSZGHV-UHFFFAOYSA-N 0 0 440.878 4.809 50 0 IJAARN COc1cc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)cc(OC)c1 ZINC000008719752 569471437 /nfs/dbraw/zinc/47/14/37/569471437.db2.gz AFYYROYEBWHAGM-UHFFFAOYSA-N 0 0 448.342 4.587 50 0 IJAARN CCc1ccc([C@@H](C)NC(=O)COc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000008734644 569472588 /nfs/dbraw/zinc/47/25/88/569472588.db2.gz UDKNRQKQRNAAMZ-GOSISDBHSA-N 0 0 432.520 4.766 50 0 IJAARN CCCCCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3Cl)nn2c1=O ZINC000008738885 569472765 /nfs/dbraw/zinc/47/27/65/569472765.db2.gz BMYFYNHVHMOGIZ-HKWRFOASSA-N 0 0 439.968 4.978 50 0 IJAARN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1ccccn1 ZINC000008740437 569472865 /nfs/dbraw/zinc/47/28/65/569472865.db2.gz QEUTXHSKPGWBQK-NZQKXSOJSA-N 0 0 445.544 4.552 50 0 biogenic IJAARN C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008745185 569473051 /nfs/dbraw/zinc/47/30/51/569473051.db2.gz POISSCPXCWSSTP-INIZCTEOSA-N 0 0 449.580 4.533 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000008749807 569473299 /nfs/dbraw/zinc/47/32/99/569473299.db2.gz UFNLRCJYNNRYJH-MSOLQXFVSA-N 0 0 433.479 4.788 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000008754085 569473783 /nfs/dbraw/zinc/47/37/83/569473783.db2.gz WNUMHHVPPLIIPR-UHFFFAOYSA-N 0 0 430.327 4.773 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000008752743 569473647 /nfs/dbraw/zinc/47/36/47/569473647.db2.gz KOGVLZOALHEYAH-HSZRJFAPSA-N 0 0 441.556 4.557 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000008752739 569473661 /nfs/dbraw/zinc/47/36/61/569473661.db2.gz KOGVLZOALHEYAH-QHCPKHFHSA-N 0 0 441.556 4.557 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000008758631 569474232 /nfs/dbraw/zinc/47/42/32/569474232.db2.gz MQUITKWKCIGAKW-GFCCVEGCSA-N 0 0 446.326 4.821 50 0 IJAARN CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000008762061 569474306 /nfs/dbraw/zinc/47/43/06/569474306.db2.gz FYQSAHMIVCPRPU-HNNXBMFYSA-N 0 0 441.812 4.968 50 0 IJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008769017 569475022 /nfs/dbraw/zinc/47/50/22/569475022.db2.gz HCMPGECOHRAWMW-SFHVURJKSA-N 0 0 445.541 4.780 50 0 IJAARN CCCCC1CCC(C(=O)Nc2cc(=O)n(-c3ccccc3C)nc2C(=O)OCC)CC1 ZINC000008770401 569475141 /nfs/dbraw/zinc/47/51/41/569475141.db2.gz FGSZQSNQLKKIEC-UHFFFAOYSA-N 0 0 439.556 4.653 50 0 IJAARN COc1cc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000008778340 569475477 /nfs/dbraw/zinc/47/54/77/569475477.db2.gz KTHKCLFWQRZYFZ-QGZVFWFLSA-N 0 0 426.538 4.618 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H](O)c1ccccc1)oc1c3CCCC1 ZINC000008791480 569476237 /nfs/dbraw/zinc/47/62/37/569476237.db2.gz HGEAVJBUVNBTMA-JOCHJYFZSA-N 0 0 445.515 4.509 50 0 biogenic IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008828311 569477830 /nfs/dbraw/zinc/47/78/30/569477830.db2.gz FFCCTAVMSQWMDF-GOSISDBHSA-N 0 0 445.494 4.761 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc2N1Cc1ccccc1 ZINC000008840702 569478383 /nfs/dbraw/zinc/47/83/83/569478383.db2.gz AQAJFMUVMOQGRF-UHFFFAOYSA-N 0 0 440.952 4.761 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000008844356 569478593 /nfs/dbraw/zinc/47/85/93/569478593.db2.gz XTMZKCNNLUJTPU-UHFFFAOYSA-N 0 0 448.548 4.879 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1nnc2sc3c(c2c1=O)CCCC3 ZINC000008844177 569478622 /nfs/dbraw/zinc/47/86/22/569478622.db2.gz KUTJEIVUFGOOFY-HNNXBMFYSA-N 0 0 446.532 4.724 50 0 IJAARN CCCCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008845303 569478786 /nfs/dbraw/zinc/47/87/86/569478786.db2.gz RMSOXBTYIBCEIL-DFBJGRDBSA-N 0 0 447.535 4.685 50 0 IJAARN Cc1ccc(CN(C)C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c(C)c1 ZINC000008855989 569479728 /nfs/dbraw/zinc/47/97/28/569479728.db2.gz BSDIMHFXFWPBLJ-UHFFFAOYSA-N 0 0 435.524 4.540 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c12 ZINC000008862081 569480110 /nfs/dbraw/zinc/48/01/10/569480110.db2.gz CDAZFAQVIWVWGN-KRWDZBQOSA-N 0 0 431.561 4.571 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000008862467 569480196 /nfs/dbraw/zinc/48/01/96/569480196.db2.gz VHXDYGKLBFKAOV-UHFFFAOYSA-N 0 0 436.965 4.885 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1OCCC ZINC000008867929 569480303 /nfs/dbraw/zinc/48/03/03/569480303.db2.gz HJFAIHPDOHKIPP-HNNXBMFYSA-N 0 0 443.475 4.859 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N(Cc2cccc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869721 569480469 /nfs/dbraw/zinc/48/04/69/569480469.db2.gz XSUBATUFLLSDCS-QHCPKHFHSA-N 0 0 435.589 4.967 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000008871427 569480802 /nfs/dbraw/zinc/48/08/02/569480802.db2.gz IGDGXAXFUAREKN-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008879099 569481294 /nfs/dbraw/zinc/48/12/94/569481294.db2.gz PCIVBRQYWRFHPQ-UHFFFAOYSA-N 0 0 449.557 4.756 50 0 IJAARN COc1ccc2c(c1)C=C1[C@@H](O)n3nc(-c4ccc(Cl)cc4Cl)nc3S[C@H]1N2 ZINC000039930147 569482025 /nfs/dbraw/zinc/48/20/25/569482025.db2.gz XPJWSGFWWJFPAQ-QZTJIDSGSA-N 0 0 433.320 4.692 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NCc3nc(-c4ccccc4OC)no3)cc2)cc1 ZINC000039987684 569482300 /nfs/dbraw/zinc/48/23/00/569482300.db2.gz MDHOFXMVVOABIY-UHFFFAOYSA-N 0 0 430.464 4.618 50 0 IJAARN C[C@H](S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000040018163 569482648 /nfs/dbraw/zinc/48/26/48/569482648.db2.gz MSBUWUSKZSQCAN-GJZGRUSLSA-N 0 0 434.569 4.508 50 0 IJAARN c1cc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc43)cs2)cs1 ZINC000040024549 569482748 /nfs/dbraw/zinc/48/27/48/569482748.db2.gz UXCPCARALJSJBY-UHFFFAOYSA-N 0 0 440.619 4.939 50 0 IJAARN O=C(CCSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1ccccc1F ZINC000040025049 569482812 /nfs/dbraw/zinc/48/28/12/569482812.db2.gz LTZZHTYPWBQGCV-UHFFFAOYSA-N 0 0 433.512 4.648 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)CCC2CCCC2)c1S(=O)(=O)c1ccccc1 ZINC000008884105 569483091 /nfs/dbraw/zinc/48/30/91/569483091.db2.gz SYGFBUFOHYFEDK-UHFFFAOYSA-N 0 0 438.549 4.889 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000008900519 569484086 /nfs/dbraw/zinc/48/40/86/569484086.db2.gz JWBJNJSTDGWOGK-ZIAGYGMSSA-N 0 0 425.579 4.993 50 0 IJAARN COc1ccc(N2C(=S)N[C@@H](c3ccc(C)s3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000040050435 569484235 /nfs/dbraw/zinc/48/42/35/569484235.db2.gz GLRGGHRQDGYQKD-FQEVSTJZSA-N 0 0 446.594 4.735 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)c3nn(-c4ccccc4Cl)c(C)cc3=O)c2)cs1 ZINC000008900907 569484267 /nfs/dbraw/zinc/48/42/67/569484267.db2.gz QQELNCNCZZLDDY-UHFFFAOYSA-N 0 0 436.924 4.879 50 0 IJAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000008922643 569486935 /nfs/dbraw/zinc/48/69/35/569486935.db2.gz OGYVGYZCFKHFPW-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN Cc1sc2[nH]c([C@@H](C)OC(=O)c3[nH]c4ccccc4c3Br)nc(=O)c2c1C ZINC000040106443 569488418 /nfs/dbraw/zinc/48/84/18/569488418.db2.gz PZAONTJTWNRHCZ-SECBINFHSA-N 0 0 446.326 4.763 50 0 IJAARN O=C([C@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1)N1CCCC1 ZINC000008943020 569488768 /nfs/dbraw/zinc/48/87/68/569488768.db2.gz JLRCBSLLNWZVTD-QGZVFWFLSA-N 0 0 444.354 4.955 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(NC4CCCCC4)s3)n2)c(OC)c1 ZINC000008943437 569488820 /nfs/dbraw/zinc/48/88/20/569488820.db2.gz ZZPJFHFAVUKVLP-UHFFFAOYSA-N 0 0 433.559 4.642 50 0 IJAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000040116315 569489207 /nfs/dbraw/zinc/48/92/07/569489207.db2.gz UAVXBLAVZQJLCX-XMMPIXPASA-N 0 0 449.526 4.874 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000008959310 569490327 /nfs/dbraw/zinc/49/03/27/569490327.db2.gz RDIYXSMDJVFUBS-UHFFFAOYSA-N 0 0 440.540 4.510 50 0 IJAARN O=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000040139381 569490907 /nfs/dbraw/zinc/49/09/07/569490907.db2.gz HAQNKEAVRTYOGK-HXUWFJFHSA-N 0 0 443.425 4.764 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1C ZINC000008961320 569491021 /nfs/dbraw/zinc/49/10/21/569491021.db2.gz ONOCANDESKAXBD-UHFFFAOYSA-N 0 0 438.505 4.861 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](CC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965261 569491367 /nfs/dbraw/zinc/49/13/67/569491367.db2.gz ZWKZRPSASWCARN-HSZRJFAPSA-N 0 0 428.536 4.956 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](CC)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965268 569491371 /nfs/dbraw/zinc/49/13/71/569491371.db2.gz BLWNRJDGOPWBLN-HSZRJFAPSA-N 0 0 444.535 4.793 50 0 IJAARN CCc1ccc(NC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965334 569491427 /nfs/dbraw/zinc/49/14/27/569491427.db2.gz XBJNSXMNIODHQY-UHFFFAOYSA-N 0 0 428.536 4.785 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc(Cl)c1F ZINC000040140877 569491610 /nfs/dbraw/zinc/49/16/10/569491610.db2.gz UUWKMXOKMYZWBU-UHFFFAOYSA-N 0 0 426.801 4.877 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000008965921 569491622 /nfs/dbraw/zinc/49/16/22/569491622.db2.gz WYBOBFLDNYZSLK-HNNXBMFYSA-N 0 0 442.560 4.923 50 0 IJAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000040141774 569491753 /nfs/dbraw/zinc/49/17/53/569491753.db2.gz NFJYRDQCGIVLPI-MRXNPFEDSA-N 0 0 429.488 4.772 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)no1 ZINC000040156221 569494116 /nfs/dbraw/zinc/49/41/16/569494116.db2.gz LHMHCDDDIGQLBL-UHFFFAOYSA-N 0 0 426.904 4.853 50 0 IJAARN Brc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 ZINC000040159080 569494664 /nfs/dbraw/zinc/49/46/64/569494664.db2.gz FEQULZHUIHXKLP-UHFFFAOYSA-N 0 0 429.299 4.765 50 0 IJAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)Nc1c(F)cccc1F)OCCO3 ZINC000008988684 569494943 /nfs/dbraw/zinc/49/49/43/569494943.db2.gz TVFYZWOMGYKGMP-HNNXBMFYSA-N 0 0 428.479 4.563 50 0 IJAARN COc1ccc(C2=C/C(=C3/N=C(c4ccc(F)cc4)OC3=O)c3ccccc3O2)cc1OC ZINC000008994145 569495468 /nfs/dbraw/zinc/49/54/68/569495468.db2.gz KKJQLRGFUBKECF-CLCOLTQESA-N 0 0 443.430 4.991 50 0 IJAARN COc1ccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000008994613 569495596 /nfs/dbraw/zinc/49/55/96/569495596.db2.gz WMALFOUVXQIPOL-HNNXBMFYSA-N 0 0 429.904 4.603 50 0 IJAARN COc1ccc(CNC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1OC ZINC000040286357 569498166 /nfs/dbraw/zinc/49/81/66/569498166.db2.gz UKCQPAQGAZQVSH-UHFFFAOYSA-N 0 0 430.504 4.554 50 0 IJAARN COc1ccccc1CNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355515 569499801 /nfs/dbraw/zinc/49/98/01/569499801.db2.gz OHJJFWHLUCYDLJ-UHFFFAOYSA-N 0 0 436.320 4.641 50 0 IJAARN COc1ccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1OC ZINC000009095336 569501335 /nfs/dbraw/zinc/50/13/35/569501335.db2.gz QNKZAUDVCHPRLH-UHFFFAOYSA-N 0 0 443.503 4.592 50 0 IJAARN Cc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)c1 ZINC000009095290 569501358 /nfs/dbraw/zinc/50/13/58/569501358.db2.gz TVSYVSWAGDAZNQ-UHFFFAOYSA-N 0 0 433.533 4.767 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000009095734 569501428 /nfs/dbraw/zinc/50/14/28/569501428.db2.gz MZLIJXHQXQZPEB-UHFFFAOYSA-N 0 0 436.537 4.910 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@H]1C ZINC000245279131 569502070 /nfs/dbraw/zinc/50/20/70/569502070.db2.gz DSYKBWZNICKLGR-UXHICEINSA-N 0 0 440.588 4.839 50 0 IJAARN Nc1c(Cl)ncnc1O[C@@H]1CC(c2ccc(F)cc2F)=NN1c1ccccc1Cl ZINC000040428128 569503203 /nfs/dbraw/zinc/50/32/03/569503203.db2.gz OKJFRBZPKLNVET-MRXNPFEDSA-N 0 0 436.249 4.663 50 0 IJAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1 ZINC000009118469 569503366 /nfs/dbraw/zinc/50/33/66/569503366.db2.gz PJBNOHATMXRZAY-UHFFFAOYSA-N 0 0 435.593 4.939 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000009120006 569503746 /nfs/dbraw/zinc/50/37/46/569503746.db2.gz JXZCTTLJTZFMAA-UHFFFAOYSA-N 0 0 444.821 4.529 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(Cc2ccccc2)C3=O)c1 ZINC000009124114 569504296 /nfs/dbraw/zinc/50/42/96/569504296.db2.gz CQMOGGNNCDXFLA-DEOSSOPVSA-N 0 0 425.488 4.850 50 0 IJAARN C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1 ZINC000009124904 569504482 /nfs/dbraw/zinc/50/44/82/569504482.db2.gz QHQBULYWSUOGOQ-INIZCTEOSA-N 0 0 429.567 4.765 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000009126431 569504902 /nfs/dbraw/zinc/50/49/02/569504902.db2.gz SHBGZJFSDPBOBR-AWEZNQCLSA-N 0 0 430.961 4.670 50 0 IJAARN Cc1nc(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)[nH]c1Cc1ccccc1 ZINC000009126661 569504995 /nfs/dbraw/zinc/50/49/95/569504995.db2.gz QKFMBTKVJVRZRB-UHFFFAOYSA-N 0 0 431.565 4.842 50 0 IJAARN COc1cccc(C(=O)c2cnc3sc(C(=O)NCc4ccccc4Cl)c(C)n23)c1 ZINC000009130623 569506116 /nfs/dbraw/zinc/50/61/16/569506116.db2.gz FBIUDQZDVNAWJO-UHFFFAOYSA-N 0 0 439.924 4.527 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000009130984 569506934 /nfs/dbraw/zinc/50/69/34/569506934.db2.gz QYRRACPOWISWSK-UHFFFAOYSA-N 0 0 447.494 4.721 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000009131666 569506951 /nfs/dbraw/zinc/50/69/51/569506951.db2.gz JHQHKTMBDURMRR-HNNXBMFYSA-N 0 0 425.485 4.520 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)cc3)o2)cc1 ZINC000009156071 569508359 /nfs/dbraw/zinc/50/83/59/569508359.db2.gz BBKZVYGSDHJQRO-KRWDZBQOSA-N 0 0 441.487 4.974 50 0 IJAARN COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000009158111 569508467 /nfs/dbraw/zinc/50/84/67/569508467.db2.gz AQLJFNOGTOMJGL-QFIPXVFZSA-N 0 0 443.455 4.535 50 0 IJAARN Cn1c(SCC(=O)N(Cc2ccccc2)c2ccccc2)nnc1-c1ccccc1F ZINC000009165817 569508815 /nfs/dbraw/zinc/50/88/15/569508815.db2.gz QBPZPVRPYPXSPE-UHFFFAOYSA-N 0 0 432.524 4.947 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1C ZINC000009172579 569509521 /nfs/dbraw/zinc/50/95/21/569509521.db2.gz DUDRMNUZSQTLLL-UHFFFAOYSA-N 0 0 430.570 4.512 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000009187166 569510296 /nfs/dbraw/zinc/51/02/96/569510296.db2.gz NGHUQQKYVARUGJ-UHFFFAOYSA-N 0 0 432.545 4.536 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nc(-c3ccccc3)c(C)[nH]2)nc1C ZINC000009191510 569510625 /nfs/dbraw/zinc/51/06/25/569510625.db2.gz FXFBMNXQUMGXGJ-HNNXBMFYSA-N 0 0 444.582 4.836 50 0 IJAARN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 ZINC000009192316 569510756 /nfs/dbraw/zinc/51/07/56/569510756.db2.gz KRKLLJNTTTUIAN-HSZRJFAPSA-N 0 0 436.471 4.715 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009197911 569511045 /nfs/dbraw/zinc/51/10/45/569511045.db2.gz QNHAJNSSNDNKCK-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000009199640 569511099 /nfs/dbraw/zinc/51/10/99/569511099.db2.gz BDLYXEBIBGJMQY-UHFFFAOYSA-N 0 0 438.597 4.794 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000009206125 569511342 /nfs/dbraw/zinc/51/13/42/569511342.db2.gz ZDKCUZCCGBTLSF-GOSISDBHSA-N 0 0 440.594 4.918 50 0 IJAARN Cc1nc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc2cc1Br ZINC000009210930 569511700 /nfs/dbraw/zinc/51/17/00/569511700.db2.gz UWRZGUBBNUPZTD-UHFFFAOYSA-N 0 0 441.148 4.766 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1 ZINC000009216640 569512211 /nfs/dbraw/zinc/51/22/11/569512211.db2.gz FSFDUAXZVBHDEA-QFIPXVFZSA-N 0 0 442.515 4.708 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009217786 569512325 /nfs/dbraw/zinc/51/23/25/569512325.db2.gz HJEWFBNUJNRTCV-RUZDIDTESA-N 0 0 429.520 4.922 50 0 IJAARN COCCc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009223881 569513072 /nfs/dbraw/zinc/51/30/72/569513072.db2.gz MUYPDSQHRLXZLE-AREMUKBSSA-N 0 0 444.531 4.641 50 0 IJAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc12 ZINC000009229144 569513734 /nfs/dbraw/zinc/51/37/34/569513734.db2.gz NWVMCWAUDINXQS-UHFFFAOYSA-N 0 0 438.575 4.972 50 0 IJAARN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009234753 569513957 /nfs/dbraw/zinc/51/39/57/569513957.db2.gz CCTFRYGZIOQRDX-GZTJUZNOSA-N 0 0 434.439 4.943 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009234366 569513977 /nfs/dbraw/zinc/51/39/77/569513977.db2.gz YMOMJCOHQYCIBS-HSZRJFAPSA-N 0 0 440.499 4.949 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238233 569514279 /nfs/dbraw/zinc/51/42/79/569514279.db2.gz LJEAZOHRZGQROK-VQTJNVASSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(F)cc2)c1 ZINC000009238306 569514293 /nfs/dbraw/zinc/51/42/93/569514293.db2.gz HFAQSBUBLHTZQL-SFTDATJTSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1CC)S2 ZINC000009239409 569514541 /nfs/dbraw/zinc/51/45/41/569514541.db2.gz ZRVKCPVHHVGXMI-VQTJNVASSA-N 0 0 441.988 4.844 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239424 569514570 /nfs/dbraw/zinc/51/45/70/569514570.db2.gz DPCHIFVHGDZRMS-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)cc1 ZINC000009244495 569515124 /nfs/dbraw/zinc/51/51/24/569515124.db2.gz VANNVGIMIKDYTD-UHFFFAOYSA-N 0 0 431.923 4.978 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3OC)n2CCc2ccccc2)o1 ZINC000009245430 569515322 /nfs/dbraw/zinc/51/53/22/569515322.db2.gz DXFDIOYATFMLKB-UHFFFAOYSA-N 0 0 449.532 4.868 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009245676 569515383 /nfs/dbraw/zinc/51/53/83/569515383.db2.gz QIGXGJQFMRYHIM-UHFFFAOYSA-N 0 0 437.540 4.544 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000009250043 569515599 /nfs/dbraw/zinc/51/55/99/569515599.db2.gz KKYSGDPNMKNIGL-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000009250054 569515636 /nfs/dbraw/zinc/51/56/36/569515636.db2.gz QZMLEKPDYVCPHR-UHFFFAOYSA-N 0 0 433.577 4.710 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009254712 569516396 /nfs/dbraw/zinc/51/63/96/569516396.db2.gz SUSBLTWKESXEBV-QGZVFWFLSA-N 0 0 440.927 4.872 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000009255863 569516646 /nfs/dbraw/zinc/51/66/46/569516646.db2.gz STXFVJCFFAATMK-INIZCTEOSA-N 0 0 438.549 4.756 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32C)cc1 ZINC000009272582 569517958 /nfs/dbraw/zinc/51/79/58/569517958.db2.gz FGXUFWKNTABFFK-SGIRGMQISA-N 0 0 448.906 4.790 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000009285368 569519164 /nfs/dbraw/zinc/51/91/64/569519164.db2.gz JOXSWMRZTUMBJG-KGVIQGDOSA-N 0 0 449.624 4.925 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000009289058 569519467 /nfs/dbraw/zinc/51/94/67/569519467.db2.gz OYHZYIRXFWPFAF-MRXNPFEDSA-N 0 0 435.549 4.586 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C(C)C)sc1C ZINC000009289852 569519661 /nfs/dbraw/zinc/51/96/61/569519661.db2.gz OJQYLUIXYPIYDA-UHFFFAOYSA-N 0 0 445.614 4.859 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293543 569520202 /nfs/dbraw/zinc/52/02/02/569520202.db2.gz KQGFMGGWTVMSPE-GOTSBHOMSA-N 0 0 427.895 4.848 50 0 IJAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000009293497 569520261 /nfs/dbraw/zinc/52/02/61/569520261.db2.gz OOAADACSUPZIMW-FGZHOGPDSA-N 0 0 431.858 4.678 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccccc1 ZINC000009309734 569521645 /nfs/dbraw/zinc/52/16/45/569521645.db2.gz DROLWBBJECMUFJ-HXUWFJFHSA-N 0 0 447.288 4.696 50 0 IJAARN COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000009320673 569522548 /nfs/dbraw/zinc/52/25/48/569522548.db2.gz UEKRRFZNYAHPEY-HNNXBMFYSA-N 0 0 427.547 4.650 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 ZINC000009336497 569523384 /nfs/dbraw/zinc/52/33/84/569523384.db2.gz UITMVULYAWKWTA-IBGZPJMESA-N 0 0 448.544 4.769 50 0 IJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)Nc1ccccc1N1CCCC1 ZINC000009339166 569523711 /nfs/dbraw/zinc/52/37/11/569523711.db2.gz CLWXCSGJMSVBIF-UHFFFAOYSA-N 0 0 432.471 4.980 50 0 IJAARN CC1=Nc2ccccc2N=C(NC(=O)CSc2ncccn2)[C@H]1c1ccc(Cl)cc1 ZINC000009341423 569523903 /nfs/dbraw/zinc/52/39/03/569523903.db2.gz VQAMFNNALXKYQI-HXUWFJFHSA-N 0 0 435.940 4.958 50 0 IJAARN Cc1ccccc1NC(=O)CSc1ncnc2c3cc4c(nc3oc21)CC(C)(C)OC4 ZINC000009347797 569524311 /nfs/dbraw/zinc/52/43/11/569524311.db2.gz CDFLSXBTVDQFBV-UHFFFAOYSA-N 0 0 434.521 4.662 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccccc1C(N)=O)occ3C(C)(C)C ZINC000009347954 569524322 /nfs/dbraw/zinc/52/43/22/569524322.db2.gz CRKAECDQMOXODW-UHFFFAOYSA-N 0 0 446.503 4.815 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3c4cc5c(nc4oc32)CC(C)(C)OC5)c1 ZINC000009348105 569524382 /nfs/dbraw/zinc/52/43/82/569524382.db2.gz QACJRCSRGQLBKR-UHFFFAOYSA-N 0 0 434.521 4.662 50 0 IJAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)cc1 ZINC000009363786 569525930 /nfs/dbraw/zinc/52/59/30/569525930.db2.gz NUVHIPCFEMAAHA-UHFFFAOYSA-N 0 0 430.327 4.643 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1 ZINC000009364040 569525980 /nfs/dbraw/zinc/52/59/80/569525980.db2.gz HGZSZBOEJJDKFD-UHFFFAOYSA-N 0 0 426.567 4.819 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)Nc1ccccc1 ZINC000009364061 569526004 /nfs/dbraw/zinc/52/60/04/569526004.db2.gz HOPVEHPLWOCROB-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)c1 ZINC000009364857 569526059 /nfs/dbraw/zinc/52/60/59/569526059.db2.gz KIAAIJFEJXOSCM-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)c(C)c1 ZINC000009365169 569526123 /nfs/dbraw/zinc/52/61/23/569526123.db2.gz KNZKOUUOEPBUNY-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN CC(=O)n1c2ccccc2nc1S[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O ZINC000009374923 569527202 /nfs/dbraw/zinc/52/72/02/569527202.db2.gz RGTHHWHVZREAEE-QFIPXVFZSA-N 0 0 426.501 4.815 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2ccccc2C)cc(OCC)c1OCC ZINC000009381044 569528090 /nfs/dbraw/zinc/52/80/90/569528090.db2.gz OLHWNNRBJMVIAA-UHFFFAOYSA-N 0 0 442.581 4.936 50 0 IJAARN CCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(C(F)(F)F)c1 ZINC000009382928 569528362 /nfs/dbraw/zinc/52/83/62/569528362.db2.gz CKWMUVRRJLFYBC-UHFFFAOYSA-N 0 0 436.484 4.823 50 0 IJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000070017604 569528618 /nfs/dbraw/zinc/52/86/18/569528618.db2.gz JDPXGEHBMDPCEV-JOCHJYFZSA-N 0 0 426.476 4.600 50 0 IJAARN CCCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(C)cccc1CC ZINC000009390848 569528741 /nfs/dbraw/zinc/52/87/41/569528741.db2.gz OQTDVMKWTJTFPB-UHFFFAOYSA-N 0 0 438.597 4.969 50 0 IJAARN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(Sc2ccccn2)cc1 ZINC000070037343 569529326 /nfs/dbraw/zinc/52/93/26/569529326.db2.gz WSRZCHPASZHVEP-UHFFFAOYSA-N 0 0 432.549 4.791 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1C ZINC000009403993 569529522 /nfs/dbraw/zinc/52/95/22/569529522.db2.gz MQIYWFROWQFBFL-UHFFFAOYSA-N 0 0 425.535 4.785 50 0 IJAARN O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)cc1 ZINC000009403958 569529549 /nfs/dbraw/zinc/52/95/49/569529549.db2.gz UJZJGYSRASZPPX-UHFFFAOYSA-N 0 0 446.351 4.922 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000009404352 569529677 /nfs/dbraw/zinc/52/96/77/569529677.db2.gz KCRQWTHIXQZDKL-OAQYLSRUSA-N 0 0 426.925 4.889 50 0 IJAARN O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009407195 569530157 /nfs/dbraw/zinc/53/01/57/569530157.db2.gz UPYLIZRZKVFRSF-GOTSBHOMSA-N 0 0 431.561 4.683 50 0 IJAARN COc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 ZINC000009407916 569530412 /nfs/dbraw/zinc/53/04/12/569530412.db2.gz VZAFHUUADKMHMY-UHFFFAOYSA-N 0 0 433.552 4.633 50 0 IJAARN CCCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009408989 569530790 /nfs/dbraw/zinc/53/07/90/569530790.db2.gz JRTHSWZGOBNTTR-XMMPIXPASA-N 0 0 429.476 4.910 50 0 IJAARN Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc5ccc(C)cc5s4)nn32)cc1 ZINC000009415123 569532136 /nfs/dbraw/zinc/53/21/36/569532136.db2.gz FICQSYWYHQIBRQ-UHFFFAOYSA-N 0 0 446.561 4.749 50 0 IJAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)N=c4[nH]c5ccccc5[nH]4)c(=O)oc12)CCCC3 ZINC000009421558 569532761 /nfs/dbraw/zinc/53/27/61/569532761.db2.gz IXNPCYQADTWJSX-UHFFFAOYSA-N 0 0 441.487 4.514 50 0 IJAARN CCOc1cc(C(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)ccc1OC(F)F ZINC000009430326 569533960 /nfs/dbraw/zinc/53/39/60/569533960.db2.gz LKPUWDNCHWABIH-AWEZNQCLSA-N 0 0 433.451 4.608 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000009431089 569534085 /nfs/dbraw/zinc/53/40/85/569534085.db2.gz VGIDUEWCYAVVQL-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN Cc1cccc(C)c1OCc1nc2c3cnn(-c4cc(Cl)ccc4Cl)c3ncn2n1 ZINC000009431239 569534093 /nfs/dbraw/zinc/53/40/93/569534093.db2.gz RMFVYKNEEAOXRO-UHFFFAOYSA-N 0 0 439.306 4.966 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2c(ccc(C)c2C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000009431317 569534151 /nfs/dbraw/zinc/53/41/51/569534151.db2.gz HVFZHGSAZSNGLL-KRWDZBQOSA-N 0 0 431.579 4.557 50 0 IJAARN Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009431404 569534185 /nfs/dbraw/zinc/53/41/85/569534185.db2.gz RKIYUKUSILNYMM-AWEZNQCLSA-N 0 0 437.970 4.594 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2ccccc21 ZINC000009441260 569535326 /nfs/dbraw/zinc/53/53/26/569535326.db2.gz RZOSATDYVLWZRG-UHFFFAOYSA-N 0 0 431.546 4.584 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000009444223 569535735 /nfs/dbraw/zinc/53/57/35/569535735.db2.gz VPSCYGFESWHIBK-DEOSSOPVSA-N 0 0 428.488 4.637 50 0 IJAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSCc2ccco2)c1OC ZINC000009444051 569535738 /nfs/dbraw/zinc/53/57/38/569535738.db2.gz HWJUUBZTMLKZPM-GOSISDBHSA-N 0 0 442.562 4.969 50 0 IJAARN CCCCOc1ccc(NC(=O)c2c([S-])n(-c3ccc(OC)cc3)c3cccc[n+]32)cc1 ZINC000009445145 569535832 /nfs/dbraw/zinc/53/58/32/569535832.db2.gz FRYKNRNADLBART-UHFFFAOYSA-O 0 0 448.568 4.945 50 0 IJAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)ccc21 ZINC000009446442 569535856 /nfs/dbraw/zinc/53/58/56/569535856.db2.gz QUDZZTJDCOVEGZ-UHFFFAOYSA-N 0 0 449.557 4.538 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cs1 ZINC000009446426 569535887 /nfs/dbraw/zinc/53/58/87/569535887.db2.gz QDEBKZUWHJKKCK-MRXNPFEDSA-N 0 0 440.594 4.740 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009453099 569536588 /nfs/dbraw/zinc/53/65/88/569536588.db2.gz IRZADHBFQPYTTP-XMMPIXPASA-N 0 0 441.483 4.598 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000009455033 569536685 /nfs/dbraw/zinc/53/66/85/569536685.db2.gz FJDQIEOFSUJBGY-CQSZACIVSA-N 0 0 441.380 4.577 50 0 IJAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1c(Cl)cccc1Cl ZINC000009463913 569537563 /nfs/dbraw/zinc/53/75/63/569537563.db2.gz FACMDTDLHBLEER-GOSISDBHSA-N 0 0 426.365 4.897 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000009465723 569538032 /nfs/dbraw/zinc/53/80/32/569538032.db2.gz UDPMPOVSOJTZEY-JOCHJYFZSA-N 0 0 449.624 4.559 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009467950 569538513 /nfs/dbraw/zinc/53/85/13/569538513.db2.gz PQDKHSSXJITDPX-UHFFFAOYSA-N 0 0 446.878 4.786 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000009469566 569538790 /nfs/dbraw/zinc/53/87/90/569538790.db2.gz XHXPPOJXYYACHC-WOJBJXKFSA-N 0 0 441.645 4.525 50 0 IJAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000009477297 569539184 /nfs/dbraw/zinc/53/91/84/569539184.db2.gz QRCQCGZWUIIEKM-JOCHJYFZSA-N 0 0 434.590 4.944 50 0 IJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000009481358 569539506 /nfs/dbraw/zinc/53/95/06/569539506.db2.gz DZGSLXYTCBWOAX-UHFFFAOYSA-N 0 0 448.479 4.533 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3ccccc3F)c2oc1-c1ccccc1 ZINC000009487014 569539630 /nfs/dbraw/zinc/53/96/30/569539630.db2.gz LNXHXDVONPZBSK-UHFFFAOYSA-N 0 0 431.419 4.703 50 0 IJAARN O=c1[nH]c(CSc2nnc(NCc3ccccc3)s2)nc2sc3c(c21)CCCC3 ZINC000009487242 569539715 /nfs/dbraw/zinc/53/97/15/569539715.db2.gz AADNGEJTSSXVIK-UHFFFAOYSA-N 0 0 441.607 4.619 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F ZINC000009490306 569540173 /nfs/dbraw/zinc/54/01/73/569540173.db2.gz NOXKJTCJMSILRA-UHFFFAOYSA-N 0 0 446.931 4.561 50 0 IJAARN CCOC(=O)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(C)c2)CC1 ZINC000009490419 569540184 /nfs/dbraw/zinc/54/01/84/569540184.db2.gz ILUACTUZCGGICO-UHFFFAOYSA-N 0 0 447.572 4.695 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@]1(C(=O)N(c3ccc(Cl)cc3)N=C1C)[C@H]1CCCN21 ZINC000009491902 569540477 /nfs/dbraw/zinc/54/04/77/569540477.db2.gz GIDBLFMYQGUNMN-RCZVLFRGSA-N 0 0 445.954 4.768 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000009493810 569540784 /nfs/dbraw/zinc/54/07/84/569540784.db2.gz YEMHDMXHNFLGMO-UHFFFAOYSA-N 0 0 433.533 4.564 50 0 IJAARN O=c1c2cn[nH]c2nc(SCc2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000009495585 569541051 /nfs/dbraw/zinc/54/10/51/569541051.db2.gz UWIFNAVSLBBICM-UHFFFAOYSA-N 0 0 447.745 4.817 50 0 IJAARN Cc1nc(COc2ccc(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2)cs1 ZINC000009495638 569541071 /nfs/dbraw/zinc/54/10/71/569541071.db2.gz JOXDRXJUSMMFQP-UHFFFAOYSA-N 0 0 446.576 4.822 50 0 IJAARN COCCCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccccc1Cl ZINC000009497546 569541265 /nfs/dbraw/zinc/54/12/65/569541265.db2.gz DUUHNLALKAXFOY-UHFFFAOYSA-N 0 0 432.977 4.565 50 0 IJAARN O=C1c2ccccc2C(=O)N1CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 ZINC000009500793 569541608 /nfs/dbraw/zinc/54/16/08/569541608.db2.gz CHYUGGRZCVKXTG-UHFFFAOYSA-N 0 0 439.924 4.511 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)cc2)c(C)c1 ZINC000009506850 569541880 /nfs/dbraw/zinc/54/18/80/569541880.db2.gz DOQALXLCYGVKAG-UHFFFAOYSA-N 0 0 434.348 4.957 50 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569549270 /nfs/dbraw/zinc/54/92/70/569549270.db2.gz ZLRCHCGBPVWTGP-UHFFFAOYSA-N 0 0 437.521 4.769 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000009583837 569549339 /nfs/dbraw/zinc/54/93/39/569549339.db2.gz XDPZOFOPKQIRSB-UHFFFAOYSA-N 0 0 448.544 4.509 50 0 IJAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000009586603 569549707 /nfs/dbraw/zinc/54/97/07/569549707.db2.gz RNTFJOIKOGNBCS-VGOFRKELSA-N 0 0 440.465 4.924 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N(C)C)n2)cc1 ZINC000009588090 569549840 /nfs/dbraw/zinc/54/98/40/569549840.db2.gz VOZAAPZLQYPBEP-UHFFFAOYSA-N 0 0 425.579 4.805 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3coc4cc(OC)ccc34)cc2)cc1 ZINC000009588482 569549878 /nfs/dbraw/zinc/54/98/78/569549878.db2.gz RGUWSDHZTRCWGP-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN COc1cccc(-c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)n2Cc2ccco2)c1 ZINC000009591569 569550187 /nfs/dbraw/zinc/55/01/87/569550187.db2.gz GBMWPZDVPMDGMI-OAQYLSRUSA-N 0 0 448.548 4.517 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(F)c3)nn2[C@H]1c1cccs1 ZINC000009597523 569550936 /nfs/dbraw/zinc/55/09/36/569550936.db2.gz FQUYCRVTUJPNOK-KRWDZBQOSA-N 0 0 430.530 4.623 50 0 IJAARN O=c1c2sccc2n(Cc2ccc(F)cc2Cl)c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000009598655 569551068 /nfs/dbraw/zinc/55/10/68/569551068.db2.gz LINVXLKIKJHABU-UHFFFAOYSA-N 0 0 439.270 4.847 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000009599539 569551240 /nfs/dbraw/zinc/55/12/40/569551240.db2.gz XIEBRPXTQNAYME-UHFFFAOYSA-N 0 0 441.361 4.919 50 0 IJAARN Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1Cl ZINC000009601215 569551599 /nfs/dbraw/zinc/55/15/99/569551599.db2.gz IUJYJKVIBVUWTJ-UHFFFAOYSA-N 0 0 441.969 4.990 50 0 IJAARN CN(C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000009603856 569551761 /nfs/dbraw/zinc/55/17/61/569551761.db2.gz IRICWJIRRXVOPO-UHFFFAOYSA-N 0 0 447.535 4.875 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1 ZINC000009609740 569552397 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CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)n2ncnc2N1 ZINC000009905467 569573082 /nfs/dbraw/zinc/57/30/82/569573082.db2.gz ATXBCMGKVXACRP-KRWDZBQOSA-N 0 0 444.720 4.622 50 0 IJAARN O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccc(F)cc1 ZINC000009908041 569573188 /nfs/dbraw/zinc/57/31/88/569573188.db2.gz LHVBRXZNLUSPMY-UHFFFAOYSA-N 0 0 429.459 4.549 50 0 IJAARN C[C@@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)Nc1ccc(F)cc1 ZINC000009933743 569573766 /nfs/dbraw/zinc/57/37/66/569573766.db2.gz XFBUILPHCOPRTR-MRXNPFEDSA-N 0 0 443.486 4.937 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c2ccccc2S1 ZINC000009951593 569574515 /nfs/dbraw/zinc/57/45/15/569574515.db2.gz MBBFLENGBVOOAN-INIZCTEOSA-N 0 0 447.589 4.825 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)N1CCc2ccccc2C1 ZINC000009953269 569574667 /nfs/dbraw/zinc/57/46/67/569574667.db2.gz BQKHXKOLCTYNSG-HUUCEWRRSA-N 0 0 439.606 4.988 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)N1CCc2ccccc2C1 ZINC000009953272 569574716 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448.519 4.981 50 0 IJAARN O=C(NCCCn1cnc2ccccc21)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000010037405 569577423 /nfs/dbraw/zinc/57/74/23/569577423.db2.gz VAYNWOUKKRYFMG-UHFFFAOYSA-N 0 0 432.911 4.762 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccccc2Cl)cc1OC ZINC000010076696 569577642 /nfs/dbraw/zinc/57/76/42/569577642.db2.gz JWRJZUNMPDYNCT-UHFFFAOYSA-N 0 0 438.871 4.509 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000010131939 569578063 /nfs/dbraw/zinc/57/80/63/569578063.db2.gz LYEPUNZJPOUGPO-UHFFFAOYSA-N 0 0 440.341 4.654 50 0 IJAARN COc1cccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1OC ZINC000010166163 569578206 /nfs/dbraw/zinc/57/82/06/569578206.db2.gz RCFRKIAJFKVLFW-UHFFFAOYSA-N 0 0 436.455 4.819 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000010187797 569578702 /nfs/dbraw/zinc/57/87/02/569578702.db2.gz NCECPJINEVYQAV-UHFFFAOYSA-N 0 0 426.316 4.585 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188152 569578783 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IJAARN COc1ccc(Cl)cc1CN(C)C(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000010279617 569580471 /nfs/dbraw/zinc/58/04/71/569580471.db2.gz AJTCASHQXGIIJV-UHFFFAOYSA-N 0 0 430.961 4.627 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c4ncsc43)cc2)CC1 ZINC000010337203 569581221 /nfs/dbraw/zinc/58/12/21/569581221.db2.gz BQAHMDZSHTUFTO-UHFFFAOYSA-N 0 0 449.985 4.623 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3cc(C)ccc3C)C(=S)N[C@H]2c2ccc(O)cc2)no1 ZINC000010360401 569581495 /nfs/dbraw/zinc/58/14/95/569581495.db2.gz HQHUOGCMJMYMIM-QFIPXVFZSA-N 0 0 448.548 4.654 50 0 IJAARN Cc1noc([C@H]2CCCN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)C2)n1 ZINC000071830309 569582063 /nfs/dbraw/zinc/58/20/63/569582063.db2.gz DZHVKPNKSIJNLX-HNNXBMFYSA-N 0 0 428.439 4.743 50 0 IJAARN O=C(NCc1ccccc1CO)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F ZINC000071850143 569582418 /nfs/dbraw/zinc/58/24/18/569582418.db2.gz UHQBROJUVSUQDQ-UHFFFAOYSA-N 0 0 443.425 4.772 50 0 IJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000010512874 569582634 /nfs/dbraw/zinc/58/26/34/569582634.db2.gz JPRCOTYAOYVBDX-AWEZNQCLSA-N 0 0 444.940 4.678 50 0 IJAARN CC(C)Sc1ccc(CC(=O)NCCc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 ZINC000077101224 569585562 /nfs/dbraw/zinc/58/55/62/569585562.db2.gz HKVLGUZYHHEJAG-UHFFFAOYSA-N 0 0 437.531 4.776 50 0 IJAARN O=C(CSc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177489 569585842 /nfs/dbraw/zinc/58/58/42/569585842.db2.gz QYCNEZHXPIJUCE-CQSZACIVSA-N 0 0 431.533 4.982 50 0 IJAARN O=C(CSc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177491 569585859 /nfs/dbraw/zinc/58/58/59/569585859.db2.gz QYCNEZHXPIJUCE-AWEZNQCLSA-N 0 0 431.533 4.982 50 0 IJAARN COc1ccc([C@H]2c3cnn(C(C)(C)C)c3Nc3[nH]c(=O)n(-c4ccc(F)cc4)c32)cc1 ZINC000078546677 569586718 /nfs/dbraw/zinc/58/67/18/569586718.db2.gz FVQVAWZSAUIDSB-PMACEKPBSA-N 0 0 433.487 4.751 50 0 IJAARN C[C@H](NC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000034708650 569587581 /nfs/dbraw/zinc/58/75/81/569587581.db2.gz HIAKWVUUCPLCEB-WDJPJFJCSA-N 0 0 430.523 4.949 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000253598812 291392627 /nfs/dbraw/zinc/39/26/27/291392627.db2.gz FWCXELAAYFYCSR-MFIGSPOMSA-N 0 0 432.645 4.765 50 0 biogenic,in-vitro IJAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000008234224 291392857 /nfs/dbraw/zinc/39/28/57/291392857.db2.gz QOLRLLFJMZLYQJ-LOBDNJQFSA-N 0 0 430.629 4.973 50 0 biogenic,in-vitro IJAARN CCOc1ccc(-c2csc3ncn(CC(=O)Nc4cc(C)ccc4C)c(=O)c23)cc1 ZINC000000646378 193870239 /nfs/dbraw/zinc/87/02/39/193870239.db2.gz JPLRHAHIYYIPSP-UHFFFAOYSA-N 0 0 433.533 4.779 50 0 IJAARN CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000000647513 193870788 /nfs/dbraw/zinc/87/07/88/193870788.db2.gz ILTOYOLVORVDRQ-HIFRSBDPSA-N 0 0 445.283 4.692 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006266996 193894768 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4.690 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000010220754 132243745 /nfs/dbraw/zinc/24/37/45/132243745.db2.gz JYYUHOSYAONIFP-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2N)cc1 ZINC000003289378 132263370 /nfs/dbraw/zinc/26/33/70/132263370.db2.gz HVSHEQGZFQEUAJ-UHFFFAOYSA-N 0 0 445.573 4.889 50 0 IJAARN Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)N1CCCc2ccccc21 ZINC000003447616 132265606 /nfs/dbraw/zinc/26/56/06/132265606.db2.gz JQAWWDVELHVRAN-UHFFFAOYSA-N 0 0 447.585 4.734 50 0 IJAARN Cc1ccc(CN2c3ccccc3S/C(=C\C(=O)NCCc3ccccc3)C2=O)cc1 ZINC000004472173 132272188 /nfs/dbraw/zinc/27/21/88/132272188.db2.gz AGTJWOFVXMJUSY-ULJHMMPZSA-N 0 0 428.557 4.877 50 0 IJAARN COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)CCC4CCCCC4)CC3)nc12 ZINC000004727422 132272951 /nfs/dbraw/zinc/27/29/51/132272951.db2.gz HEEGKQJOILSFQI-UHFFFAOYSA-N 0 0 425.573 4.570 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c2cc(Cl)ccc2O1 ZINC000008588428 132282922 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435.549 4.786 50 0 IJAARN CC(C)CNC(=O)[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008759061 132293554 /nfs/dbraw/zinc/29/35/54/132293554.db2.gz PMHRVSLLXZSXSP-SFHVURJKSA-N 0 0 437.971 4.837 50 0 IJAARN COC(=O)C1=NN(c2ccccc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000008867206 132296604 /nfs/dbraw/zinc/29/66/04/132296604.db2.gz ZEPPXJVXEBXLCQ-DEOSSOPVSA-N 0 0 428.517 4.781 50 0 IJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000009208549 132308671 /nfs/dbraw/zinc/30/86/71/132308671.db2.gz XZGROXNKTUOUDE-SANMLTNESA-N 0 0 441.531 4.767 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000009227647 132309942 /nfs/dbraw/zinc/30/99/42/132309942.db2.gz XBXYGQXBSJITFW-QGZVFWFLSA-N 0 0 431.471 4.587 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000009228398 132309998 /nfs/dbraw/zinc/30/99/98/132309998.db2.gz IDLNFPVRJMEMKU-UHFFFAOYSA-N 0 0 449.507 4.848 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1cccc(F)c1 ZINC000009228379 132310002 /nfs/dbraw/zinc/31/00/02/132310002.db2.gz ZTRQMLXEPACEAF-UHFFFAOYSA-N 0 0 443.478 4.787 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)C1CCCC1 ZINC000009228371 132310023 /nfs/dbraw/zinc/31/00/23/132310023.db2.gz RFTZOBLLEJNSAA-UHFFFAOYSA-N 0 0 435.499 4.663 50 0 IJAARN Cc1ccc(CNC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000009250380 132310785 /nfs/dbraw/zinc/31/07/85/132310785.db2.gz DGNICPXXZPNYPI-UHFFFAOYSA-N 0 0 434.561 4.611 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@@H](C)CCc1ccccc1 ZINC000009250400 132310815 /nfs/dbraw/zinc/31/08/15/132310815.db2.gz IFFPIKIMOPXPJF-IBGZPJMESA-N 0 0 448.588 4.562 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1C1CC1 ZINC000009378918 132314654 /nfs/dbraw/zinc/31/46/54/132314654.db2.gz QRBUIPQOQGUETN-UHFFFAOYSA-N 0 0 439.507 4.661 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000009405835 132315010 /nfs/dbraw/zinc/31/50/10/132315010.db2.gz XORSYOKHKRQKQV-DLBZAZTESA-N 0 0 441.959 4.637 50 0 IJAARN CSc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000009406288 132315616 /nfs/dbraw/zinc/31/56/16/132315616.db2.gz OOPPWZNBBXESJJ-UHFFFAOYSA-N 0 0 444.604 4.785 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1Br ZINC000009426099 132316707 /nfs/dbraw/zinc/31/67/07/132316707.db2.gz HAJCHMWZOKSCCH-UHFFFAOYSA-N 0 0 439.737 4.590 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000009510441 132319914 /nfs/dbraw/zinc/31/99/14/132319914.db2.gz SWEHJGITPNCREZ-UHFFFAOYSA-N 0 0 438.446 4.592 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000009594586 132322619 /nfs/dbraw/zinc/32/26/19/132322619.db2.gz USGFGFYSVKKLGS-IAGOWNOFSA-N 0 0 436.581 4.537 50 0 IJAARN Cc1ccc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708864 132326833 /nfs/dbraw/zinc/32/68/33/132326833.db2.gz DJFKVCYWQWPPJZ-UHFFFAOYSA-N 0 0 431.327 4.811 50 0 IJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(c2ccccc2Cl)CC1 ZINC000009726975 132327734 /nfs/dbraw/zinc/32/77/34/132327734.db2.gz DIOXPVDNGCIWCR-DEOSSOPVSA-N 0 0 446.934 4.757 50 0 IJAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(c2ccccc2Cl)CC1 ZINC000009726978 132327747 /nfs/dbraw/zinc/32/77/47/132327747.db2.gz DIOXPVDNGCIWCR-XMMPIXPASA-N 0 0 446.934 4.757 50 0 IJAARN COc1cccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 ZINC000009908825 132331575 /nfs/dbraw/zinc/33/15/75/132331575.db2.gz CLBAARBFNZUAJJ-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCN(c2ccccc2F)CC1 ZINC000009971023 132333219 /nfs/dbraw/zinc/33/32/19/132333219.db2.gz QYURQTUVPSCBCN-UHFFFAOYSA-N 0 0 447.535 4.533 50 0 IJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(Br)ccc1Cl ZINC000010035059 132334140 /nfs/dbraw/zinc/33/41/40/132334140.db2.gz MNHLKOPYDUKPMA-UHFFFAOYSA-N 0 0 430.129 4.845 50 0 IJAARN Cc1cc(C)c(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1C ZINC000010775615 132336545 /nfs/dbraw/zinc/33/65/45/132336545.db2.gz JZISEMMPYVCVSI-UHFFFAOYSA-N 0 0 432.593 4.510 50 0 IJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000013003831 132341810 /nfs/dbraw/zinc/34/18/10/132341810.db2.gz IOFGOKGLRLPNLM-GJZGRUSLSA-N 0 0 427.501 4.809 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000013117081 132345064 /nfs/dbraw/zinc/34/50/64/132345064.db2.gz UIXIDZWOXQOVCY-NRFANRHFSA-N 0 0 445.563 4.775 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000013121004 132345373 /nfs/dbraw/zinc/34/53/73/132345373.db2.gz IGDITWDTEQRIBI-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN O=C(c1oc2ccccc2c1CSC1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000013133921 132345689 /nfs/dbraw/zinc/34/56/89/132345689.db2.gz UHQQLKMOPHIDRC-UHFFFAOYSA-N 0 0 436.581 4.751 50 0 IJAARN O=C(CCSc1cccs1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013469263 132347164 /nfs/dbraw/zinc/34/71/64/132347164.db2.gz CVXGZMNYSDUVOA-UHFFFAOYSA-N 0 0 435.924 4.646 50 0 IJAARN CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013583670 132351086 /nfs/dbraw/zinc/35/10/86/132351086.db2.gz ASFNJJZTGWQTMQ-UHFFFAOYSA-N 0 0 434.561 4.951 50 0 IJAARN CC(=O)c1ccc(OCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000012194398 518393018 /nfs/dbraw/zinc/39/30/18/518393018.db2.gz LXRCIFKMNZJMRV-QHCPKHFHSA-N 0 0 431.536 4.592 50 0 IJAARN CC(=O)c1ccc(OC[C@@H](O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1 ZINC000012516916 518397074 /nfs/dbraw/zinc/39/70/74/518397074.db2.gz IRPITKRXNLLWNK-QGZVFWFLSA-N 0 0 429.567 4.633 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022652408 518403194 /nfs/dbraw/zinc/40/31/94/518403194.db2.gz IEDPROMGLQTYRH-UHFFFAOYSA-N 0 0 425.472 4.551 50 0 IJAARN C/C(=C\c1ccccc1)CN(C)Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1 ZINC000011881347 518444951 /nfs/dbraw/zinc/44/49/51/518444951.db2.gz LNWALDDZDNOEDP-FIWMFUAISA-N 0 0 449.624 4.680 50 0 IJAARN CC(C)(C)CC(=O)NCC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946468 518618459 /nfs/dbraw/zinc/61/84/59/518618459.db2.gz WBGSIIUDZOHSCP-HXUWFJFHSA-N 0 0 429.923 4.709 50 0 IJAARN CC(=O)N(c1nc(/C=C/C(=O)Nc2nccs2)cs1)c1cccc(C(F)(F)F)c1 ZINC000012764803 519475029 /nfs/dbraw/zinc/47/50/29/519475029.db2.gz ACBKPOJPXKYTSK-AATRIKPKSA-N 0 0 438.456 4.955 50 0 IJAARN CC(=O)N(c1nc(CSc2nnc(-c3ccncc3)n2C)cs1)c1cccc(C)c1 ZINC000016097296 519478108 /nfs/dbraw/zinc/47/81/08/519478108.db2.gz JAAKGFRRVGAPPT-UHFFFAOYSA-N 0 0 436.566 4.619 50 0 IJAARN CC(C)Cn1c(CNC(=O)c2cccc3ccccc32)nnc1SCc1ccncc1 ZINC000012149988 519485373 /nfs/dbraw/zinc/48/53/73/519485373.db2.gz BOFXNWOTPJEBMZ-UHFFFAOYSA-N 0 0 431.565 4.705 50 0 IJAARN CC(=O)N1N=C(c2cccc(C)n2)O[C@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021092815 519638505 /nfs/dbraw/zinc/63/85/05/519638505.db2.gz IKLMNSOUQLCRLV-QHCPKHFHSA-N 0 0 434.883 4.535 50 0 IJAARN CC(=O)N1N=C(c2ccc3c(c2)OCO3)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941347 519638626 /nfs/dbraw/zinc/63/86/26/519638626.db2.gz LDIQXJCSOSJDIF-SANMLTNESA-N 0 0 437.455 4.870 50 0 IJAARN CC(C)CCC[C@@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012609722 519645189 /nfs/dbraw/zinc/64/51/89/519645189.db2.gz PHVGFHQSOKLTKU-OAHLLOKOSA-N 0 0 440.009 4.766 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000021858395 519659725 /nfs/dbraw/zinc/65/97/25/519659725.db2.gz HCRQGHXRKTZPSD-RUZDIDTESA-N 0 0 437.971 4.872 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(F)cc1 ZINC000021911603 519659730 /nfs/dbraw/zinc/65/97/30/519659730.db2.gz NFIXFWHORRORHA-QFIPXVFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1C[C@@H](C)c1ccccc1 ZINC000021864740 519661588 /nfs/dbraw/zinc/66/15/88/519661588.db2.gz IMERFTDGWHLHBW-HRFSGMKKSA-N 0 0 447.579 4.929 50 0 IJAARN CC(C)NC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035978863 519710003 /nfs/dbraw/zinc/71/00/03/519710003.db2.gz CTGYHHLZBXRHJN-JOCHJYFZSA-N 0 0 448.567 4.978 50 0 IJAARN CC(C)NC(=O)c1ccc(CSc2nc(N3CCCC[C@H]3C)cc(C(F)(F)F)n2)o1 ZINC000036038771 519716877 /nfs/dbraw/zinc/71/68/77/519716877.db2.gz ITDRQUVWHHVVCD-CYBMUJFWSA-N 0 0 442.507 4.898 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c1 ZINC000021922975 519744136 /nfs/dbraw/zinc/74/41/36/519744136.db2.gz QRXZCFSOGIUBAS-UHFFFAOYSA-N 0 0 439.397 4.626 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000020993456 519779282 /nfs/dbraw/zinc/77/92/82/519779282.db2.gz MKUNAVMKHRSFAD-UHFFFAOYSA-N 0 0 447.560 4.687 50 0 IJAARN CC(C)[C@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc2c(c1)OCCO2 ZINC000012848269 519818674 /nfs/dbraw/zinc/81/86/74/519818674.db2.gz YOBLJCGFRIVZMJ-SANMLTNESA-N 0 0 435.520 4.975 50 0 IJAARN CC(C)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)nn1-c1nc2ccccc2s1 ZINC000022767615 519831590 /nfs/dbraw/zinc/83/15/90/519831590.db2.gz RNHFRPMATBNMOD-UHFFFAOYSA-N 0 0 445.592 4.563 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000021940203 519838425 /nfs/dbraw/zinc/83/84/25/519838425.db2.gz XBYFBXNEFMGVGY-SFHVURJKSA-N 0 0 429.517 4.567 50 0 IJAARN CC(C)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012773729 519844874 /nfs/dbraw/zinc/84/48/74/519844874.db2.gz CGNHOSAJIJNTAH-UHFFFAOYSA-N 0 0 428.598 4.946 50 0 IJAARN CC(C)c1ccccc1OCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000012785291 519846865 /nfs/dbraw/zinc/84/68/65/519846865.db2.gz HYFOFAOHASNJSU-UHFFFAOYSA-N 0 0 428.330 4.835 50 0 IJAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)cc2)no1 ZINC000033258315 519858145 /nfs/dbraw/zinc/85/81/45/519858145.db2.gz QBPBXKGGKKGEJY-UHFFFAOYSA-N 0 0 425.920 4.868 50 0 IJAARN CCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035865061 519869088 /nfs/dbraw/zinc/86/90/88/519869088.db2.gz ZYKXKOHCXGOHDK-UHFFFAOYSA-N 0 0 434.609 4.610 50 0 IJAARN CCCC(=O)Nc1ccc2nc(SCc3cc(=O)n4cc(C)sc4n3)sc2c1 ZINC000020984327 519879009 /nfs/dbraw/zinc/87/90/09/519879009.db2.gz NHTWIMKGNDCNJC-UHFFFAOYSA-N 0 0 430.580 4.705 50 0 IJAARN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(C(C)C)no1 ZINC000012911510 519899971 /nfs/dbraw/zinc/89/99/71/519899971.db2.gz ZSBQJDVRKHGVKE-ZDUSSCGKSA-N 0 0 436.965 4.836 50 0 IJAARN CCN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042348 520201339 /nfs/dbraw/zinc/20/13/39/520201339.db2.gz VQNHRWGKYLQTSE-RBUKOAKNSA-N 0 0 438.877 4.693 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1OC ZINC000012739706 520291594 /nfs/dbraw/zinc/29/15/94/520291594.db2.gz FOIJDIHWKFOJLK-UHFFFAOYSA-N 0 0 445.943 4.881 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccccc2Sc2nc(Br)nn2C)cc1 ZINC000033036360 520337542 /nfs/dbraw/zinc/33/75/42/520337542.db2.gz BCVXDPXEMSHUEP-UHFFFAOYSA-N 0 0 447.358 4.770 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1 ZINC000036049513 520374036 /nfs/dbraw/zinc/37/40/36/520374036.db2.gz KULNGABPFMFUFJ-UHFFFAOYSA-N 0 0 438.531 4.949 50 0 IJAARN CCCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2cccc(OC)c2)cc1 ZINC000023428641 520394363 /nfs/dbraw/zinc/39/43/63/520394363.db2.gz PAVHOWFTWVEZDF-UHFFFAOYSA-N 0 0 435.524 4.597 50 0 IJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000012437833 520462164 /nfs/dbraw/zinc/46/21/64/520462164.db2.gz LOJORGDWXJLLIN-UHFFFAOYSA-N 0 0 441.955 4.718 50 0 IJAARN CCN(CC)C(=O)[C@@H](OC(=O)c1sc2cccc(F)c2c1COC)c1ccccc1 ZINC000012786536 520524353 /nfs/dbraw/zinc/52/43/53/520524353.db2.gz OEVOZONUSABWEU-FQEVSTJZSA-N 0 0 429.513 4.953 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)c1 ZINC000012795277 520561318 /nfs/dbraw/zinc/56/13/18/520561318.db2.gz GJXDNBHYMGMDDV-UHFFFAOYSA-N 0 0 434.521 4.994 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021811802 520564977 /nfs/dbraw/zinc/56/49/77/520564977.db2.gz RNHMBFODMQJPQE-DEOSSOPVSA-N 0 0 445.629 4.821 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)N[C@H]2CCc3ccccc32)=Nc2ccccc2N1 ZINC000035480744 520609106 /nfs/dbraw/zinc/60/91/06/520609106.db2.gz AXNZOGZIIATMJP-IBGZPJMESA-N 0 0 435.549 4.516 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000022228872 520633919 /nfs/dbraw/zinc/63/39/19/520633919.db2.gz ZHBAHOUEFZSQSQ-UNOMPAQXSA-N 0 0 432.929 4.644 50 0 IJAARN CCCCNc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000012546861 520698848 /nfs/dbraw/zinc/69/88/48/520698848.db2.gz ZWXIWCSJZHDWAE-UHFFFAOYSA-N 0 0 435.977 4.589 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000018092620 520783092 /nfs/dbraw/zinc/78/30/92/520783092.db2.gz LFWKDUWXUUIAOX-UHFFFAOYSA-N 0 0 428.476 4.605 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000021043918 520799941 /nfs/dbraw/zinc/79/99/41/520799941.db2.gz LZSWTMNWINMDSU-IBGZPJMESA-N 0 0 446.931 4.832 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccccc1Cl)CC2 ZINC000021043905 520800201 /nfs/dbraw/zinc/80/02/01/520800201.db2.gz ALAWBMNMRDKVEH-IBGZPJMESA-N 0 0 446.931 4.832 50 0 IJAARN CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2ccccc2Br)CC(=O)N1 ZINC000012416455 520821314 /nfs/dbraw/zinc/82/13/14/520821314.db2.gz HUNMRBBJTRHNPF-SFHVURJKSA-N 0 0 428.326 4.503 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N(C)Cc3cccc(Cl)c3)o2)cc1 ZINC000012643112 520877716 /nfs/dbraw/zinc/87/77/16/520877716.db2.gz UHYMGHXUMAXFQQ-UHFFFAOYSA-N 0 0 444.988 4.987 50 0 IJAARN CCCCOc1ccc(CNC(=O)CN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000021540246 520878285 /nfs/dbraw/zinc/87/82/85/520878285.db2.gz MFRXKGNQPDRRDF-UHFFFAOYSA-N 0 0 447.560 4.688 50 0 IJAARN CCOC(=O)C[C@H](NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000020995839 520886297 /nfs/dbraw/zinc/88/62/97/520886297.db2.gz XKUCMYZNHBPBOS-VWLOTQADSA-N 0 0 447.579 4.955 50 0 IJAARN CCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022293828 520886804 /nfs/dbraw/zinc/88/68/04/520886804.db2.gz JEOPSVRQWKSYSC-CALCHBBNSA-N 0 0 429.586 4.621 50 0 IJAARN CCOC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000020932639 520901190 /nfs/dbraw/zinc/90/11/90/520901190.db2.gz AOXHKUVPRRONIN-DEOSSOPVSA-N 0 0 441.593 4.976 50 0 IJAARN CCOC(=O)Cc1csc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n1 ZINC000012918193 520912636 /nfs/dbraw/zinc/91/26/36/520912636.db2.gz HBBBRZSREBJDST-UHFFFAOYSA-N 0 0 440.590 4.589 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc1OCC ZINC000012441223 520917591 /nfs/dbraw/zinc/91/75/91/520917591.db2.gz COUJCURFFMIATG-UHFFFAOYSA-N 0 0 446.507 4.763 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2cn3c4c(ccc(Cl)c4c2=O)O[C@@H](C)C3)c(C)c1 ZINC000020926550 520920769 /nfs/dbraw/zinc/92/07/69/520920769.db2.gz WAGNUCWWLOCCDC-HNNXBMFYSA-N 0 0 439.943 4.843 50 0 IJAARN CCOC(=O)N1CCN(C(=O)C[C@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035872131 520945776 /nfs/dbraw/zinc/94/57/76/520945776.db2.gz OUZLSQOUBABQGQ-QHCPKHFHSA-N 0 0 447.579 4.792 50 0 IJAARN CCOc1ccc(CCNC(=O)CSc2ncnc3sc(C)c(C)c32)cc1OCC ZINC000012852755 520951298 /nfs/dbraw/zinc/95/12/98/520951298.db2.gz VZXBYKWAFOJGOW-UHFFFAOYSA-N 0 0 445.610 4.557 50 0 IJAARN CCC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)Cc1ccco1 ZINC000034719096 521083871 /nfs/dbraw/zinc/08/38/71/521083871.db2.gz VSSVYTQNHKZAIX-UHFFFAOYSA-N 0 0 428.529 4.756 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(C)C ZINC000036061049 521085051 /nfs/dbraw/zinc/08/50/51/521085051.db2.gz YBYPFDRAQCZHBL-UHFFFAOYSA-N 0 0 448.567 4.750 50 0 IJAARN CCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C[C@H]1CCCO1 ZINC000035944894 521089562 /nfs/dbraw/zinc/08/95/62/521089562.db2.gz QOFFJIGPXIJEGN-LJQANCHMSA-N 0 0 443.975 4.576 50 0 IJAARN CCOc1ccc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1 ZINC000033263796 521094468 /nfs/dbraw/zinc/09/44/68/521094468.db2.gz DDZMAKCVDRDLAF-UHFFFAOYSA-N 0 0 433.487 4.848 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)cc1 ZINC000012853970 521183841 /nfs/dbraw/zinc/18/38/41/521183841.db2.gz JKNCYQXPGMTZBK-UHFFFAOYSA-N 0 0 437.521 4.864 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000021357423 521211396 /nfs/dbraw/zinc/21/13/96/521211396.db2.gz GIKYAQXDORZSPR-UHFFFAOYSA-N 0 0 435.549 4.558 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1OC ZINC000021530622 521226510 /nfs/dbraw/zinc/22/65/10/521226510.db2.gz UHAQXSSCSPJQIS-JOCHJYFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 ZINC000015978359 521343244 /nfs/dbraw/zinc/34/32/44/521343244.db2.gz AESJAAMWBNAFMO-UHFFFAOYSA-N 0 0 429.929 4.899 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCC(C)C)C(=O)c2ccc(C)cc2)c1C ZINC000036003696 521365423 /nfs/dbraw/zinc/36/54/23/521365423.db2.gz CKAMKLUZAWQXMW-IBGZPJMESA-N 0 0 426.557 4.876 50 0 IJAARN CCCCn1c2nnc(CCC(=O)Nc3ccc(C(C)C)cc3)n2c2ccsc2c1=O ZINC000035528751 521377860 /nfs/dbraw/zinc/37/78/60/521377860.db2.gz HMOGJIDVRBMTNI-UHFFFAOYSA-N 0 0 437.569 4.601 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c1C ZINC000012852028 521380038 /nfs/dbraw/zinc/38/00/38/521380038.db2.gz LVCYXQNHOKABTQ-UHFFFAOYSA-N 0 0 435.311 4.612 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)c(C)n1C ZINC000036000580 521386018 /nfs/dbraw/zinc/38/60/18/521386018.db2.gz DOCPMIZRXRHZMQ-UHFFFAOYSA-N 0 0 442.531 4.616 50 0 IJAARN CCCc1cc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1 ZINC000021719188 521386488 /nfs/dbraw/zinc/38/64/88/521386488.db2.gz VQLYKOIJQSPQDQ-KRWDZBQOSA-N 0 0 433.434 4.543 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000022654290 521425727 /nfs/dbraw/zinc/42/57/27/521425727.db2.gz FZSQILOZWRJXNE-UHFFFAOYSA-N 0 0 427.520 4.610 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3[C@@H](C)C=C[C@@H]3C)cc2)n1 ZINC000023433193 521426199 /nfs/dbraw/zinc/42/61/99/521426199.db2.gz SHYLUBUUAHYTNO-OALUTQOASA-N 0 0 429.520 4.813 50 0 IJAARN CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012817132 521475285 /nfs/dbraw/zinc/47/52/85/521475285.db2.gz LKLRNYHNGBWSRY-CYBMUJFWSA-N 0 0 448.894 4.705 50 0 IJAARN CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021858669 521480192 /nfs/dbraw/zinc/48/01/92/521480192.db2.gz OVVZWOBOHNCCNQ-HHHXNRCGSA-N 0 0 447.579 4.617 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3c(F)cccc3F)C2=O)cc1 ZINC000012311933 521485559 /nfs/dbraw/zinc/48/55/59/521485559.db2.gz IWKGQMLJQOFPOH-RGEXLXHISA-N 0 0 448.425 4.782 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000012137864 521498225 /nfs/dbraw/zinc/49/82/25/521498225.db2.gz CVVHUOBKPGHQKR-UHFFFAOYSA-N 0 0 438.549 4.941 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1 ZINC000033288962 521498638 /nfs/dbraw/zinc/49/86/38/521498638.db2.gz YVPXYCCWNCLRFG-UHFFFAOYSA-N 0 0 439.562 4.844 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)CC(C)(C)C)cc2)C(C(=O)OCC(C)C)=C1C ZINC000035729600 521540464 /nfs/dbraw/zinc/54/04/64/521540464.db2.gz JFEOHEXITBGVSL-NRFANRHFSA-N 0 0 445.629 4.786 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1cccc2ncccc21 ZINC000022240901 521552538 /nfs/dbraw/zinc/55/25/38/521552538.db2.gz JXWFMWSHYAIMPE-UHFFFAOYSA-N 0 0 445.350 4.831 50 0 IJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012877702 521580568 /nfs/dbraw/zinc/58/05/68/521580568.db2.gz SEAWKEDAGUOXED-BMKMMPECSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN CCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385260 521601521 /nfs/dbraw/zinc/60/15/21/521601521.db2.gz QZHUPOBZWDKVRK-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385493 521601680 /nfs/dbraw/zinc/60/16/80/521601680.db2.gz XAFYJIPVAGYVOG-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CCOC(CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2)OCC ZINC000020735011 521632634 /nfs/dbraw/zinc/63/26/34/521632634.db2.gz NTTIHQZSEJIGIW-YBFXNURJSA-N 0 0 446.956 4.554 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000014574148 521696150 /nfs/dbraw/zinc/69/61/50/521696150.db2.gz DCTSIGVLFLAVCR-UHFFFAOYSA-N 0 0 435.480 4.772 50 0 IJAARN COCCOc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037385224 521751413 /nfs/dbraw/zinc/75/14/13/521751413.db2.gz QVIMVSZSQKIMCK-UHFFFAOYSA-N 0 0 434.521 4.582 50 0 IJAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(F)cc2)C2CCCCC2)c(C)n1C ZINC000036025147 521753067 /nfs/dbraw/zinc/75/30/67/521753067.db2.gz PMMODKXLNRMPNP-KRWDZBQOSA-N 0 0 442.531 4.614 50 0 IJAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020463813 521864471 /nfs/dbraw/zinc/86/44/71/521864471.db2.gz BIPBDNWDWWINNZ-FQEVSTJZSA-N 0 0 425.916 4.779 50 0 IJAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000035533469 521878382 /nfs/dbraw/zinc/87/83/82/521878382.db2.gz SMQKFCVRUYLMEN-AWEZNQCLSA-N 0 0 427.599 4.616 50 0 IJAARN CNC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1 ZINC000024039825 521904296 /nfs/dbraw/zinc/90/42/96/521904296.db2.gz OSJPWHCASVBYNM-UHFFFAOYSA-N 0 0 439.309 4.640 50 0 IJAARN COc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000034846193 521982421 /nfs/dbraw/zinc/98/24/21/521982421.db2.gz NFHBXSDMIQCINC-LAUIRUGDSA-N 0 0 443.805 4.657 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)C3(c4cccs4)CCCC3)s2)o1 ZINC000042379329 522053459 /nfs/dbraw/zinc/05/34/59/522053459.db2.gz VYIWKNCJHQMLCF-UHFFFAOYSA-N 0 0 449.579 4.722 50 0 IJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1 ZINC000033726475 522065535 /nfs/dbraw/zinc/06/55/35/522065535.db2.gz PJOUQPVUYSMVDU-OAQYLSRUSA-N 0 0 448.563 4.800 50 0 IJAARN CC[C@H](C)n1c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615231 522071273 /nfs/dbraw/zinc/07/12/73/522071273.db2.gz LAEHGXNWOWRXEF-JTQLQIEISA-N 0 0 437.443 4.882 50 0 IJAARN COCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 ZINC000012856420 522073465 /nfs/dbraw/zinc/07/34/65/522073465.db2.gz AKXYONLOWZQPDO-UHFFFAOYSA-N 0 0 444.560 4.989 50 0 IJAARN COCCn1c2ccccc2nc1SCc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000021275161 522077329 /nfs/dbraw/zinc/07/73/29/522077329.db2.gz ALCDOWKXRJFGLD-UHFFFAOYSA-N 0 0 447.520 4.988 50 0 IJAARN COc1cc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc(OC)c1OC ZINC000012418539 522116447 /nfs/dbraw/zinc/11/64/47/522116447.db2.gz HAMFRAXZKJCKLD-XSTIVXOKSA-N 0 0 429.516 4.740 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196546 522167486 /nfs/dbraw/zinc/16/74/86/522167486.db2.gz AZZMOGNOGIIWKV-RDGATRHJSA-N 0 0 444.487 4.733 50 0 IJAARN CC[C@H](CNC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O)c1ccccc1 ZINC000012750692 522175726 /nfs/dbraw/zinc/17/57/26/522175726.db2.gz PVRMHSKAMROYTL-GOSISDBHSA-N 0 0 431.561 4.743 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)cc1 ZINC000033031886 522218037 /nfs/dbraw/zinc/21/80/37/522218037.db2.gz FCRIWEHJGLVERU-MRXNPFEDSA-N 0 0 438.553 4.515 50 0 IJAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(Cc1ccco1)C(=O)c1ccco1 ZINC000035945538 522235256 /nfs/dbraw/zinc/23/52/56/522235256.db2.gz ZZBKNRVJDFUMHC-UHFFFAOYSA-N 0 0 433.464 4.627 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769165 522241887 /nfs/dbraw/zinc/24/18/87/522241887.db2.gz BFUCVNTYSAUZKU-UHFFFAOYSA-N 0 0 441.000 4.616 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000022894118 522255234 /nfs/dbraw/zinc/25/52/34/522255234.db2.gz XFLMBLUVNGXRCS-CYBMUJFWSA-N 0 0 430.913 4.562 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000022894112 522256325 /nfs/dbraw/zinc/25/63/25/522256325.db2.gz XFLMBLUVNGXRCS-ZDUSSCGKSA-N 0 0 430.913 4.562 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O ZINC000012274615 522281004 /nfs/dbraw/zinc/28/10/04/522281004.db2.gz DSKIWVJAHXRBSE-OAQYLSRUSA-N 0 0 435.863 4.833 50 0 IJAARN COc1cc(CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC ZINC000012897285 522322632 /nfs/dbraw/zinc/32/26/32/522322632.db2.gz LWRBSOPQNICUIJ-UHFFFAOYSA-N 0 0 426.538 4.942 50 0 IJAARN COc1cc(CCNS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)ccc1OC(F)F ZINC000012751596 522335823 /nfs/dbraw/zinc/33/58/23/522335823.db2.gz GQECGCFXNFAQFU-UHFFFAOYSA-N 0 0 441.540 4.732 50 0 IJAARN CCc1nc2ccccc2n1CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000012520517 522502397 /nfs/dbraw/zinc/50/23/97/522502397.db2.gz MXZDATSNBQXCGI-UHFFFAOYSA-N 0 0 429.520 4.503 50 0 IJAARN CCc1nccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012433289 522584607 /nfs/dbraw/zinc/58/46/07/522584607.db2.gz KRZNFDCOLWYTAJ-NRFANRHFSA-N 0 0 431.536 4.749 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)NC(C)C ZINC000035978176 522639952 /nfs/dbraw/zinc/63/99/52/522639952.db2.gz KHXBSPSIPXEHNY-UHFFFAOYSA-N 0 0 436.556 4.793 50 0 IJAARN CCc1nnc(-c2cn(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc23)o1 ZINC000035422929 522720817 /nfs/dbraw/zinc/72/08/17/522720817.db2.gz RIJORTABESEJFI-UHFFFAOYSA-N 0 0 440.887 4.563 50 0 IJAARN COc1cc(OC)c(N2C[C@@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)cc1Cl ZINC000014739530 522795766 /nfs/dbraw/zinc/79/57/66/522795766.db2.gz NGNCXSVINRJKRM-HNNXBMFYSA-N 0 0 430.932 4.781 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1Cl ZINC000021018798 522810365 /nfs/dbraw/zinc/81/03/65/522810365.db2.gz ZGKZKGCPWZSSNI-FQEVSTJZSA-N 0 0 436.895 4.567 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccccc1 ZINC000012419503 522960648 /nfs/dbraw/zinc/96/06/48/522960648.db2.gz REJHMIJVIGGMNT-LJQANCHMSA-N 0 0 427.456 4.557 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012911954 523040550 /nfs/dbraw/zinc/04/05/50/523040550.db2.gz OJFOGZPGVWACQA-HHHXNRCGSA-N 0 0 430.548 4.907 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1F ZINC000021935863 523078223 /nfs/dbraw/zinc/07/82/23/523078223.db2.gz NCNOEDRBSONFSS-MOPGFXCFSA-N 0 0 438.528 4.591 50 0 IJAARN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Br)cc2)no1 ZINC000012415709 523105925 /nfs/dbraw/zinc/10/59/25/523105925.db2.gz CRJBFBWZKKVNDD-UHFFFAOYSA-N 0 0 443.326 4.521 50 0 IJAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3cccs3)CO4)c2=O)cc1OC ZINC000020677272 523157732 /nfs/dbraw/zinc/15/77/32/523157732.db2.gz RTFHYGCHHFKDJU-UHFFFAOYSA-N 0 0 435.501 4.891 50 0 biogenic IJAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccc(OC)c1)N2 ZINC000012845747 523164864 /nfs/dbraw/zinc/16/48/64/523164864.db2.gz SGTKAQYEFNTGPF-SUMDDJOVSA-N 0 0 436.478 4.957 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccccn2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000012323745 523180182 /nfs/dbraw/zinc/18/01/82/523180182.db2.gz LRCCZZCKSMESOW-SANMLTNESA-N 0 0 449.514 4.750 50 0 IJAARN COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)nn2-c2cccc(Cl)c2)cc1 ZINC000014609970 523189416 /nfs/dbraw/zinc/18/94/16/523189416.db2.gz LKRGVVGWVBMCIS-UHFFFAOYSA-N 0 0 432.911 4.869 50 0 IJAARN COc1ccc(-c2nc(CN(C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c(OC)c1C ZINC000012440295 523201376 /nfs/dbraw/zinc/20/13/76/523201376.db2.gz AEIIIMFQKQCWHT-UHFFFAOYSA-N 0 0 432.524 4.793 50 0 IJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000018080007 523216034 /nfs/dbraw/zinc/21/60/34/523216034.db2.gz JYGMUBBGCZLLTI-UHFFFAOYSA-N 0 0 428.989 4.843 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)COc3ccc(C)cc3)C3CCCCC3)n2)cc1 ZINC000009668451 523284077 /nfs/dbraw/zinc/28/40/77/523284077.db2.gz PQDATPSOLQVWQD-UHFFFAOYSA-N 0 0 435.524 4.794 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1OC ZINC000012843374 523285360 /nfs/dbraw/zinc/28/53/60/523285360.db2.gz WJUIUSNOFXAYTE-UHFFFAOYSA-N 0 0 439.487 4.868 50 0 IJAARN CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4OC)c3n2)c(C)n1 ZINC000020615448 523299410 /nfs/dbraw/zinc/29/94/10/523299410.db2.gz OYSKLRHOFJGKMR-UHFFFAOYSA-N 0 0 443.479 4.581 50 0 IJAARN CO[C@@H](C(=O)N1CCC[C@@H](c2nc(SCc3ccccn3)ncc2C)C1)c1ccccc1 ZINC000012098946 523313038 /nfs/dbraw/zinc/31/30/38/523313038.db2.gz LXIGWATWWXQYGU-NFBKMPQASA-N 0 0 448.592 4.566 50 0 IJAARN COc1ccc(-n2c(CNC(=O)[C@@H](c3ccccc3)C3CCCC3)nnc2SC)cc1 ZINC000012248039 523316934 /nfs/dbraw/zinc/31/69/34/523316934.db2.gz SPPCJRYOCMEULO-QFIPXVFZSA-N 0 0 436.581 4.588 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3cccs3)nnc2SCc2ccccc2)cc1 ZINC000012243317 523318059 /nfs/dbraw/zinc/31/80/59/523318059.db2.gz NLLJNDUMTLBOOM-UHFFFAOYSA-N 0 0 436.562 4.560 50 0 IJAARN CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cc2C1 ZINC000012794733 523372834 /nfs/dbraw/zinc/37/28/34/523372834.db2.gz JJERGYOYEXWTBH-CYBMUJFWSA-N 0 0 435.387 4.736 50 0 IJAARN CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000012855516 523448338 /nfs/dbraw/zinc/44/83/38/523448338.db2.gz SKRWHSCUHJMBOE-FQEVSTJZSA-N 0 0 444.553 4.838 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000013128385 523486172 /nfs/dbraw/zinc/48/61/72/523486172.db2.gz XUPOKYCBTSBZIP-UHFFFAOYSA-N 0 0 439.515 4.512 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccc2n[nH]nc2c1 ZINC000022023984 523486948 /nfs/dbraw/zinc/48/69/48/523486948.db2.gz SCHHQUUIWJCVRK-UHFFFAOYSA-N 0 0 442.910 4.736 50 0 IJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012535512 523563107 /nfs/dbraw/zinc/56/31/07/523563107.db2.gz BTEVQEFWVVGQCM-UHFFFAOYSA-N 0 0 439.441 4.517 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884456 523606470 /nfs/dbraw/zinc/60/64/70/523606470.db2.gz XXCVXISXGQZZQJ-QFIPXVFZSA-N 0 0 436.458 4.917 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(-c3cc(OC)ccc3OC)on2)Cc2ccco2)cc1 ZINC000036011850 523614581 /nfs/dbraw/zinc/61/45/81/523614581.db2.gz XNMWVOYAYLVLEU-UHFFFAOYSA-N 0 0 448.475 4.803 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cc(NC(=O)C(C)C)ccc2N(C)C)cc1 ZINC000035945211 523615785 /nfs/dbraw/zinc/61/57/85/523615785.db2.gz MHRPMLHLZGAPFS-UHFFFAOYSA-N 0 0 449.551 4.791 50 0 IJAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000021890008 523623968 /nfs/dbraw/zinc/62/39/68/523623968.db2.gz QPWHQAPWYVFDSV-HXUWFJFHSA-N 0 0 447.491 4.549 50 0 IJAARN CCn1ncc(-c2csc(NC(=O)c3ccccc3OCc3c(C)noc3C)n2)c1C ZINC000020616395 523689335 /nfs/dbraw/zinc/68/93/35/523689335.db2.gz UUUSVKVJKYTHOV-UHFFFAOYSA-N 0 0 437.525 4.771 50 0 IJAARN CCc1c(C(=O)Nc2ccccc2OC)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639824 523704134 /nfs/dbraw/zinc/70/41/34/523704134.db2.gz RFCGOBRXBDJVCU-UHFFFAOYSA-N 0 0 439.475 4.899 50 0 IJAARN CCc1c(C)scc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1CC ZINC000017096106 523720687 /nfs/dbraw/zinc/72/06/87/523720687.db2.gz NZZUAWDHEIMBSM-UHFFFAOYSA-N 0 0 428.583 4.831 50 0 IJAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)c(Cl)cc12 ZINC000012884424 523745336 /nfs/dbraw/zinc/74/53/36/523745336.db2.gz SZXLCQJZRUOPQX-CQSZACIVSA-N 0 0 438.911 4.616 50 0 biogenic IJAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(OC)c3)cc2)cc1 ZINC000035927179 523752949 /nfs/dbraw/zinc/75/29/49/523752949.db2.gz CKDXTSWMVMFZMS-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(Br)c(Br)s1 ZINC000012566581 523792578 /nfs/dbraw/zinc/79/25/78/523792578.db2.gz XAWAHCICKKOQHX-UHFFFAOYSA-N 0 0 448.132 4.841 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000021100557 523834330 /nfs/dbraw/zinc/83/43/30/523834330.db2.gz FSGRUYMEQNTKAL-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033068041 523834883 /nfs/dbraw/zinc/83/48/83/523834883.db2.gz HKXSNIOENVLASC-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(C)cc1 ZINC000020617462 523840903 /nfs/dbraw/zinc/84/09/03/523840903.db2.gz RMCSSWPZJCNGAQ-SGEDCAFJSA-N 0 0 443.503 4.739 50 0 IJAARN CN(C(=O)CSc1nnc(Cc2ccccc2)n1C)C(c1ccccc1)c1ccccc1 ZINC000011975910 523841855 /nfs/dbraw/zinc/84/18/55/523841855.db2.gz WRUWJSHRQOPGAU-UHFFFAOYSA-N 0 0 442.588 4.746 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1 ZINC000012560733 523877281 /nfs/dbraw/zinc/87/72/81/523877281.db2.gz KSIQGKYRECRGNC-QFIPXVFZSA-N 0 0 446.503 4.713 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000012420918 523877338 /nfs/dbraw/zinc/87/73/38/523877338.db2.gz JABOKOWXLGMSRA-HXUWFJFHSA-N 0 0 444.516 4.700 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000012541101 523908670 /nfs/dbraw/zinc/90/86/70/523908670.db2.gz JFTDKTZGZQNOOR-UHFFFAOYSA-N 0 0 444.940 4.639 50 0 IJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC ZINC000035765193 523925739 /nfs/dbraw/zinc/92/57/39/523925739.db2.gz YKOWENUFWWYZFQ-NRFANRHFSA-N 0 0 448.563 4.800 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3c(C)cccc23)cc1OC ZINC000017095414 523968067 /nfs/dbraw/zinc/96/80/67/523968067.db2.gz KCBYWTNYHWRQCI-UHFFFAOYSA-N 0 0 427.504 4.595 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033266727 523970163 /nfs/dbraw/zinc/97/01/63/523970163.db2.gz VDHBPERBGJPGPB-UHFFFAOYSA-N 0 0 443.526 4.953 50 0 IJAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1 ZINC000035533565 523975173 /nfs/dbraw/zinc/97/51/73/523975173.db2.gz UHWOPFXJNPYJQK-AWEZNQCLSA-N 0 0 427.599 4.616 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010037 523988444 /nfs/dbraw/zinc/98/84/44/523988444.db2.gz ZGEMHLWMROVFPN-ZBEGNZNMSA-N 0 0 441.384 4.713 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000035871319 523988468 /nfs/dbraw/zinc/98/84/68/523988468.db2.gz XSSHRPPOIVBOPI-ZAOYMGCJSA-N 0 0 449.492 4.627 50 0 IJAARN CCc1ccc(NC(=O)[C@H](CC)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563753 523990129 /nfs/dbraw/zinc/99/01/29/523990129.db2.gz HCNRONUUGIAIMP-QFIPXVFZSA-N 0 0 443.551 4.660 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(Br)c1 ZINC000012138042 524005201 /nfs/dbraw/zinc/00/52/01/524005201.db2.gz SJYNLTDTZHPKKM-GOSISDBHSA-N 0 0 434.330 4.587 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(F)cc2)C2CCCCC2)c1C ZINC000036005040 524023156 /nfs/dbraw/zinc/02/31/56/524023156.db2.gz NUBHHCUKJOHGHE-MRXNPFEDSA-N 0 0 428.504 4.604 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)Cc4cccs4)cc3)C2=O)cc1 ZINC000037545168 524026427 /nfs/dbraw/zinc/02/64/27/524026427.db2.gz MKNANHLTQVUSQL-UHFFFAOYSA-N 0 0 435.549 4.770 50 0 IJAARN CCc1ccc2nc(C)cc(C(=O)N3CCC4(C[C@@H]4C(=O)Nc4ccccc4)CC3)c2c1 ZINC000012162651 524060263 /nfs/dbraw/zinc/06/02/63/524060263.db2.gz ZYTDXPGOQYJZJH-HSZRJFAPSA-N 0 0 427.548 4.987 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000033293188 524064047 /nfs/dbraw/zinc/06/40/47/524064047.db2.gz VNELUXZPSYGSIT-UHFFFAOYSA-N 0 0 448.910 4.728 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)c(OC)c1 ZINC000035505045 524066922 /nfs/dbraw/zinc/06/69/22/524066922.db2.gz CNTYVCICSOYOBK-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN CCc1cccc(N2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021857529 524071407 /nfs/dbraw/zinc/07/14/07/524071407.db2.gz GBNSPZASJMQMFH-HHHXNRCGSA-N 0 0 445.563 4.690 50 0 IJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000032953353 524085951 /nfs/dbraw/zinc/08/59/51/524085951.db2.gz MRQUFPAMDRIDDN-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4c(F)cccc4F)n3)nc2c1 ZINC000021721735 524097045 /nfs/dbraw/zinc/09/70/45/524097045.db2.gz ZVHJFQWXFXAKEV-UHFFFAOYSA-N 0 0 430.436 4.661 50 0 IJAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc5c(c4)CCC5)c3s2)C1 ZINC000035533714 524109960 /nfs/dbraw/zinc/10/99/60/524109960.db2.gz PAYUTWFNFMHHJC-AWEZNQCLSA-N 0 0 439.610 4.542 50 0 IJAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4cc(C)nc(C)n4)C3)c2)c1 ZINC000012583273 524110540 /nfs/dbraw/zinc/11/05/40/524110540.db2.gz PWMLKKCAOKYLIJ-QFIPXVFZSA-N 0 0 428.536 4.560 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015676219 524119092 /nfs/dbraw/zinc/11/90/92/524119092.db2.gz YHIQZNVFTCSOTI-SANMLTNESA-N 0 0 436.600 4.665 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021850970 524120089 /nfs/dbraw/zinc/12/00/89/524120089.db2.gz JRUCHKJJPKGRHY-SANMLTNESA-N 0 0 446.551 4.628 50 0 IJAARN Cc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)c1 ZINC000035845263 524135297 /nfs/dbraw/zinc/13/52/97/524135297.db2.gz VWZIKKGWCKVCFK-QHCPKHFHSA-N 0 0 427.504 4.662 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)n[nH]2)c1OC ZINC000012433949 524136538 /nfs/dbraw/zinc/13/65/38/524136538.db2.gz COMBNSXGUWEUMD-XMMPIXPASA-N 0 0 442.519 4.574 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000012623613 524138731 /nfs/dbraw/zinc/13/87/31/524138731.db2.gz VBHZTIVJUOPRTG-CALCHBBNSA-N 0 0 435.593 4.599 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1OC ZINC000021801164 524163410 /nfs/dbraw/zinc/16/34/10/524163410.db2.gz YXHUQNGQXVKEIP-UHFFFAOYSA-N 0 0 427.508 4.601 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000022357409 524190238 /nfs/dbraw/zinc/19/02/38/524190238.db2.gz ZVGXEOQOPSSKKJ-RYUDHWBXSA-N 0 0 434.924 4.631 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012786771 524193915 /nfs/dbraw/zinc/19/39/15/524193915.db2.gz MUJWFRLKCGEDNR-UHFFFAOYSA-N 0 0 435.229 4.732 50 0 IJAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCc4ccccc4)CC3)ncn2)c1 ZINC000033312052 524201432 /nfs/dbraw/zinc/20/14/32/524201432.db2.gz WARHDSZSSRTHKN-UHFFFAOYSA-N 0 0 432.593 4.777 50 0 IJAARN COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1=O ZINC000012415995 524218351 /nfs/dbraw/zinc/21/83/51/524218351.db2.gz UOEJTHFEVRPUHW-LBPRGKRZSA-N 0 0 437.805 4.938 50 0 IJAARN COc1cccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196956 524246334 /nfs/dbraw/zinc/24/63/34/524246334.db2.gz GEEXJWRUEZEXFK-BXKMTCNYSA-N 0 0 436.464 4.556 50 0 IJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccccc4F)c3c2=O)cc1 ZINC000035400621 524263669 /nfs/dbraw/zinc/26/36/69/524263669.db2.gz FDKQYSWTIJKBFE-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN COc1ccccc1-c1cc(C(=O)NCc2ccccn2)nc2c(-c3ccccc3)c(C)nn21 ZINC000034833067 524268421 /nfs/dbraw/zinc/26/84/21/524268421.db2.gz VSSPLIVAONODFM-UHFFFAOYSA-N 0 0 449.514 4.705 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012604362 524275109 /nfs/dbraw/zinc/27/51/09/524275109.db2.gz RXKJABFNAGNCAN-HUUCEWRRSA-N 0 0 435.446 4.790 50 0 IJAARN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1 ZINC000012878250 524280435 /nfs/dbraw/zinc/28/04/35/524280435.db2.gz BVNFDCDSILDSBB-UHFFFAOYSA-N 0 0 434.989 4.703 50 0 IJAARN COc1ccccc1-c1nn(CN(C)Cc2ccccc2N2CCCCC2)c(=S)n1C ZINC000012544102 524284910 /nfs/dbraw/zinc/28/49/10/524284910.db2.gz FIGZLQAAMZXVNQ-UHFFFAOYSA-N 0 0 437.613 4.706 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000012600409 524359470 /nfs/dbraw/zinc/35/94/70/524359470.db2.gz DVQUZPUYDAEWIF-IYBDPMFKSA-N 0 0 441.984 4.921 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1 ZINC000021535967 524361468 /nfs/dbraw/zinc/36/14/68/524361468.db2.gz UAZCPULQCALUIG-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN COc1ccc(N(CCC(=O)Nc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012734742 524364544 /nfs/dbraw/zinc/36/45/44/524364544.db2.gz JNWQSRCIBZBWOW-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000017042300 524370947 /nfs/dbraw/zinc/37/09/47/524370947.db2.gz QRIZXKXCRWQFHP-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021781944 524383959 /nfs/dbraw/zinc/38/39/59/524383959.db2.gz HBOGUCRYNCEHTN-HHHXNRCGSA-N 0 0 445.563 4.920 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)Nc2ccccc2)C2CC2)o1 ZINC000035766393 524417205 /nfs/dbraw/zinc/41/72/05/524417205.db2.gz VWIPBNZMCVANBF-UHFFFAOYSA-N 0 0 435.499 4.952 50 0 IJAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4C)o3)no2)c1 ZINC000021721524 524419242 /nfs/dbraw/zinc/41/92/42/524419242.db2.gz QSORZPXPEOJJRY-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885290 524432102 /nfs/dbraw/zinc/43/21/02/524432102.db2.gz CQCQCXILSDZFFN-LJQANCHMSA-N 0 0 430.508 4.613 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(OC)c(OC)cc1OC ZINC000016015070 524443059 /nfs/dbraw/zinc/44/30/59/524443059.db2.gz SHLMJGSWGCOQGT-UHFFFAOYSA-N 0 0 427.522 4.625 50 0 IJAARN C[C@H]1CCc2sc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2C1 ZINC000021670189 524444766 /nfs/dbraw/zinc/44/47/66/524444766.db2.gz XILMYTQVUOBKRQ-LBPRGKRZSA-N 0 0 443.922 4.903 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000012653501 524469899 /nfs/dbraw/zinc/46/98/99/524469899.db2.gz UKOGYANLABJHFQ-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3ncnc4c3sc3nc(C)cc(C)c34)CC2)cc1 ZINC000032986000 524498294 /nfs/dbraw/zinc/49/82/94/524498294.db2.gz WACAPEQAAPOASF-UHFFFAOYSA-N 0 0 445.592 4.698 50 0 IJAARN Cc1cc(C)n(-c2nnc(N3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc32)n1 ZINC000021356694 524500004 /nfs/dbraw/zinc/50/00/04/524500004.db2.gz DMTOUZQKXROGSZ-UHFFFAOYSA-N 0 0 432.959 4.721 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3cccc(F)c3)c2c1=O ZINC000035400364 524521844 /nfs/dbraw/zinc/52/18/44/524521844.db2.gz DAKUEORKTVQMLS-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1 ZINC000014494488 524527331 /nfs/dbraw/zinc/52/73/31/524527331.db2.gz HLZKDDOBWVKHBQ-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN COc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000012414520 524527574 /nfs/dbraw/zinc/52/75/74/524527574.db2.gz TZIOTJBGKNHCHT-UHFFFAOYSA-N 0 0 437.858 4.503 50 0 IJAARN COc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021527603 524535157 /nfs/dbraw/zinc/53/51/57/524535157.db2.gz TUDXDGNEAFJMLN-MHZLTWQESA-N 0 0 445.563 4.908 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccco2)c1 ZINC000000668806 524536379 /nfs/dbraw/zinc/53/63/79/524536379.db2.gz JNYWUUGYNVQABB-GOSISDBHSA-N 0 0 430.245 4.964 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2cccc(F)c2)n1 ZINC000021523696 524575493 /nfs/dbraw/zinc/57/54/93/524575493.db2.gz IKAROFGIIBHVPQ-JOCHJYFZSA-N 0 0 445.523 4.860 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000020903072 524587731 /nfs/dbraw/zinc/58/77/31/524587731.db2.gz IROKRSBZCCSTKH-UZTOHYMASA-N 0 0 429.564 4.718 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)c1 ZINC000035533939 524605504 /nfs/dbraw/zinc/60/55/04/524605504.db2.gz XAIIPGYQJVKMJN-UHFFFAOYSA-N 0 0 447.589 4.688 50 0 IJAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000034928010 524620235 /nfs/dbraw/zinc/62/02/35/524620235.db2.gz KVBCJGBZSGDJGG-DQEYMECFSA-N 0 0 442.515 4.786 50 0 IJAARN COc1ccccc1NC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccc(C)cc2)C1 ZINC000033288506 524621148 /nfs/dbraw/zinc/62/11/48/524621148.db2.gz WZLUQRROAPIXGE-GOSISDBHSA-N 0 0 434.565 4.800 50 0 IJAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035180982 524630322 /nfs/dbraw/zinc/63/03/22/524630322.db2.gz UKLPFTGOBLJZJZ-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000012771407 524669458 /nfs/dbraw/zinc/66/94/58/524669458.db2.gz XJKWZFWMCLZGTD-UHFFFAOYSA-N 0 0 432.520 4.997 50 0 IJAARN COc1ccc(Nc2nc(O)c(CC(=O)Nc3ccc(Oc4ccccc4)cc3)s2)cc1 ZINC000012798230 524674269 /nfs/dbraw/zinc/67/42/69/524674269.db2.gz HGPKMJOXRIDMIU-OAQYLSRUSA-N 0 0 447.516 4.926 50 0 IJAARN COc1ccc(Nc2nn(CN3CCC(C(=O)c4ccccc4)CC3)c(=S)s2)cc1 ZINC000012553627 524722231 /nfs/dbraw/zinc/72/22/31/524722231.db2.gz YXPKRMBLODKWKJ-UHFFFAOYSA-N 0 0 440.594 4.979 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)c5ccccc5)CC4)c32)C1 ZINC000035865239 524726331 /nfs/dbraw/zinc/72/63/31/524726331.db2.gz LURFQKQJACDFDH-MRXNPFEDSA-N 0 0 432.593 4.656 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000012563422 524731840 /nfs/dbraw/zinc/73/18/40/524731840.db2.gz FEDRAGYOTLHXIS-UHFFFAOYSA-N 0 0 427.907 4.724 50 0 IJAARN Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(Br)cc3)o2)c1 ZINC000012674152 524768793 /nfs/dbraw/zinc/76/87/93/524768793.db2.gz YGTPPPMTLGECQE-CYBMUJFWSA-N 0 0 448.342 4.839 50 0 IJAARN COc1ccccc1[C@H](CNC(=O)CCCSc1nc2ccccc2s1)N(C)C ZINC000012737972 524789723 /nfs/dbraw/zinc/78/97/23/524789723.db2.gz FNJIOXMDXIKLHY-SFHVURJKSA-N 0 0 429.611 4.596 50 0 IJAARN Cc1cccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)c2ccccc2)c1 ZINC000012753889 524792474 /nfs/dbraw/zinc/79/24/74/524792474.db2.gz TXGFJSXHWRVUCO-UHFFFAOYSA-N 0 0 448.997 4.564 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)c1 ZINC000022558913 524793199 /nfs/dbraw/zinc/79/31/99/524793199.db2.gz LTOYWWQJOGBXMV-UHFFFAOYSA-N 0 0 438.534 4.527 50 0 IJAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051629 524816025 /nfs/dbraw/zinc/81/60/25/524816025.db2.gz WCHCOENKXQEHJE-PKTZIBPZSA-N 0 0 448.950 4.521 50 0 IJAARN COc1ccc(OC)c(C[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])c1 ZINC000021024984 524835880 /nfs/dbraw/zinc/83/58/80/524835880.db2.gz NBRNOPMIZBVERT-UHFFFAOYSA-N 0 0 428.916 4.753 50 0 IJAARN COc1ccc(OC)c(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)c1 ZINC000033072818 524847928 /nfs/dbraw/zinc/84/79/28/524847928.db2.gz DIERVKUXQZRFGP-UHFFFAOYSA-N 0 0 448.498 4.597 50 0 IJAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1C ZINC000009667719 524902078 /nfs/dbraw/zinc/90/20/78/524902078.db2.gz URUXVRDMOFOZGN-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000012566987 524929414 /nfs/dbraw/zinc/92/94/14/524929414.db2.gz ZWAQPJDFBGXCCR-BBXRDKHSSA-N 0 0 444.575 4.937 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC000035166820 524979635 /nfs/dbraw/zinc/97/96/35/524979635.db2.gz VMRMWSNXOCIXDX-KRWDZBQOSA-N 0 0 447.922 4.892 50 0 IJAARN Cc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020939670 524989192 /nfs/dbraw/zinc/98/91/92/524989192.db2.gz LSERIGSFFFFHOO-UHFFFAOYSA-N 0 0 436.512 4.855 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000021737156 525027859 /nfs/dbraw/zinc/02/78/59/525027859.db2.gz VLDMGPQTQANIPE-JENIJYKNSA-N 0 0 435.597 4.623 50 0 IJAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1 ZINC000021272782 525045812 /nfs/dbraw/zinc/04/58/12/525045812.db2.gz AGJQTJDZQCOXSR-UHFFFAOYSA-N 0 0 444.560 4.862 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1NC(C)=O ZINC000012787650 525071210 /nfs/dbraw/zinc/07/12/10/525071210.db2.gz FBTQVLAJNPUTPR-JOCHJYFZSA-N 0 0 432.586 4.627 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1Br ZINC000012874289 525073080 /nfs/dbraw/zinc/07/30/80/525073080.db2.gz CAEWHDCRJOFKLE-SNVBAGLBSA-N 0 0 438.265 4.516 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccco2)cc1 ZINC000012389934 525092931 /nfs/dbraw/zinc/09/29/31/525092931.db2.gz CHXGSWHIUIJXRO-UHFFFAOYSA-N 0 0 442.537 4.907 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)CC(C)C)cc1 ZINC000012323229 525093498 /nfs/dbraw/zinc/09/34/98/525093498.db2.gz RUKUZJWCFMSHKS-UHFFFAOYSA-N 0 0 444.553 4.572 50 0 IJAARN Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441933 525112533 /nfs/dbraw/zinc/11/25/33/525112533.db2.gz JWKHFAPIICZFMQ-UHFFFAOYSA-N 0 0 441.516 4.915 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 ZINC000021801014 525186199 /nfs/dbraw/zinc/18/61/99/525186199.db2.gz KOZSOCKJIIKDKC-UHFFFAOYSA-N 0 0 448.552 4.717 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000020903051 525197963 /nfs/dbraw/zinc/19/79/63/525197963.db2.gz KQNMUKJIDMKKDO-HHHXNRCGSA-N 0 0 429.564 4.547 50 0 IJAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035908792 525220570 /nfs/dbraw/zinc/22/05/70/525220570.db2.gz JALXBFWVPPOQFU-JOCHJYFZSA-N 0 0 442.537 4.714 50 0 IJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000012914494 525251526 /nfs/dbraw/zinc/25/15/26/525251526.db2.gz JGKPEDRGYGTFPF-INIZCTEOSA-N 0 0 430.751 4.637 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012516936 525272765 /nfs/dbraw/zinc/27/27/65/525272765.db2.gz ZIPNPWIIEWELGJ-SQJMNOBHSA-N 0 0 445.519 4.530 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccn2)c(F)c1 ZINC000012208223 525277118 /nfs/dbraw/zinc/27/71/18/525277118.db2.gz RUVGZLJYQWWBDP-AREMUKBSSA-N 0 0 429.495 4.818 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1C ZINC000012605658 525300213 /nfs/dbraw/zinc/30/02/13/525300213.db2.gz YXKLSBWYHKTDMG-UHFFFAOYSA-N 0 0 426.513 4.516 50 0 IJAARN Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C(C)C)cc1Cl ZINC000012786500 525356934 /nfs/dbraw/zinc/35/69/34/525356934.db2.gz QMSPGDGONGCOJF-UHFFFAOYSA-N 0 0 444.959 4.734 50 0 IJAARN Cc1[nH]c2ccc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)cc2c1C ZINC000012846989 525420429 /nfs/dbraw/zinc/42/04/29/525420429.db2.gz PMOBSYYZKZBKFZ-UHFFFAOYSA-N 0 0 428.330 4.566 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805729 525430728 /nfs/dbraw/zinc/43/07/28/525430728.db2.gz NZCAGLCYVGHGGR-VWLOTQADSA-N 0 0 444.510 4.684 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC)c2)cc1 ZINC000023441934 525443066 /nfs/dbraw/zinc/44/30/66/525443066.db2.gz GWCACOILAIGGCE-VWLOTQADSA-N 0 0 433.504 4.509 50 0 IJAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1OC ZINC000021892672 525443291 /nfs/dbraw/zinc/44/32/91/525443291.db2.gz MYEGRSNUOQVQQO-VWLOTQADSA-N 0 0 443.503 4.902 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(CCOc2ccc(Cl)cc2)C1=O ZINC000020808264 525447039 /nfs/dbraw/zinc/44/70/39/525447039.db2.gz UQHQXQSAQUKYEY-RUZDIDTESA-N 0 0 432.907 4.791 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)[C@]31C ZINC000012863638 525483892 /nfs/dbraw/zinc/48/38/92/525483892.db2.gz AQFHETGBBHLNDO-NRFANRHFSA-N 0 0 430.291 4.723 50 0 biogenic IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)c2ccccc2)cc1 ZINC000012936455 525503123 /nfs/dbraw/zinc/50/31/23/525503123.db2.gz QOTZAMPIGPCPGF-UHFFFAOYSA-N 0 0 448.997 4.564 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)on1 ZINC000021718464 525545160 /nfs/dbraw/zinc/54/51/60/525545160.db2.gz TXRYGNQQFGROLF-QGZVFWFLSA-N 0 0 441.413 4.689 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@H](Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001142280 525575705 /nfs/dbraw/zinc/57/57/05/525575705.db2.gz KSWSJUCWKSJMKX-NRFANRHFSA-N 0 0 445.382 4.889 50 0 IJAARN CSCC[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2s1 ZINC000023935488 525587021 /nfs/dbraw/zinc/58/70/21/525587021.db2.gz LBAPTWGXEMHSBE-MAUKXSAKSA-N 0 0 443.619 4.710 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)nc2c1 ZINC000033068010 525606135 /nfs/dbraw/zinc/60/61/35/525606135.db2.gz ISTYYFQSBMPYMS-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nc2c1 ZINC000021156907 525606216 /nfs/dbraw/zinc/60/62/16/525606216.db2.gz HXSSQPMBNFQWGN-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 ZINC000033068020 525606692 /nfs/dbraw/zinc/60/66/92/525606692.db2.gz DMTYSKNZUYVAPI-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N(C)Cc1ccccc1Cl ZINC000012789095 525615540 /nfs/dbraw/zinc/61/55/40/525615540.db2.gz IVVJHSMREVTJIH-UHFFFAOYSA-N 0 0 446.931 4.861 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)N[C@@H](C)CCc4ccccc4)CC3)[nH]c2c1 ZINC000035561990 525620268 /nfs/dbraw/zinc/62/02/68/525620268.db2.gz UFWCGPBRESNUCG-IBGZPJMESA-N 0 0 447.579 4.556 50 0 IJAARN COc1ccc2cc(C(=O)Nc3ccc(OC)c(NC(=O)c4cccc(C)c4)c3)[nH]c2c1 ZINC000032998404 525623780 /nfs/dbraw/zinc/62/37/80/525623780.db2.gz KHDIJJCUXRQATA-UHFFFAOYSA-N 0 0 429.476 4.998 50 0 IJAARN COc1ccc2cc([C@@H](C)C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc2c1 ZINC000012732250 525637222 /nfs/dbraw/zinc/63/72/22/525637222.db2.gz WWNQWCBMSFFOEI-QGZVFWFLSA-N 0 0 432.520 4.535 50 0 IJAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)n(Cc2cccc(F)c2)c(C)c1N1CCOCC1 ZINC000035837143 525645342 /nfs/dbraw/zinc/64/53/42/525645342.db2.gz HXONNPBUSXAWTH-LJQANCHMSA-N 0 0 435.543 4.620 50 0 IJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 ZINC000012441202 525654794 /nfs/dbraw/zinc/65/47/94/525654794.db2.gz DLJTTZXXZMQLHS-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN Cc1c(C(=O)Nc2nccs2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274491 525665816 /nfs/dbraw/zinc/66/58/16/525665816.db2.gz ZNINFGAGNRKPFM-UHFFFAOYSA-N 0 0 436.884 4.746 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)[C@H](C)Oc4ccc(C)cc4)cc3)cc(=O)n2o1 ZINC000035429548 525675460 /nfs/dbraw/zinc/67/54/60/525675460.db2.gz WUNDZOZLPIBBQG-KRWDZBQOSA-N 0 0 449.532 4.603 50 0 IJAARN Cc1cc2nc(N(CCCN3CCOCC3)C(=O)c3ccccc3Cl)sc2c(C)c1 ZINC000020589328 525676829 /nfs/dbraw/zinc/67/68/29/525676829.db2.gz RQMFSOPAIMTPBQ-UHFFFAOYSA-N 0 0 444.000 4.936 50 0 IJAARN Cc1cc2nc(SCc3noc(CCC(=O)Nc4cc(F)cc(F)c4)n3)[nH]c2cc1C ZINC000033271031 525679479 /nfs/dbraw/zinc/67/94/79/525679479.db2.gz PCHKAVRDMQBHCB-UHFFFAOYSA-N 0 0 443.479 4.705 50 0 IJAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 ZINC000020996538 525681285 /nfs/dbraw/zinc/68/12/85/525681285.db2.gz GJYYOCVAMLCENB-UHFFFAOYSA-N 0 0 432.499 4.848 50 0 IJAARN COc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NCc4ccccc4)c3c2c1 ZINC000020996553 525682966 /nfs/dbraw/zinc/68/29/66/525682966.db2.gz TXVNWQWKYRDUOQ-UHFFFAOYSA-N 0 0 440.478 4.716 50 0 IJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000021533794 525750187 /nfs/dbraw/zinc/75/01/87/525750187.db2.gz JEEAUJYIOZWXCJ-CQSZACIVSA-N 0 0 440.956 4.690 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000014526343 525767600 /nfs/dbraw/zinc/76/76/00/525767600.db2.gz GIKWLGDNTMDVAT-IBGZPJMESA-N 0 0 429.524 4.691 50 0 IJAARN Cc1ccc([C@@H](NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c2cccs2)cc1 ZINC000012740186 525768020 /nfs/dbraw/zinc/76/80/20/525768020.db2.gz VYPPQBNKZNQGNB-JOCHJYFZSA-N 0 0 449.601 4.682 50 0 IJAARN Cc1ccc([C@@H](NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c2cccs2)cc1 ZINC000022192777 525768879 /nfs/dbraw/zinc/76/88/79/525768879.db2.gz IJOXCFLCBICDII-GOSISDBHSA-N 0 0 440.487 4.673 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033258234 525769555 /nfs/dbraw/zinc/76/95/55/525769555.db2.gz GHUHGBSONOJPLQ-UHFFFAOYSA-N 0 0 437.931 4.930 50 0 IJAARN Cc1ccnn1C[C@@H](C)CNC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020615945 525777235 /nfs/dbraw/zinc/77/72/35/525777235.db2.gz ZATYTNQDTRMATJ-ZDUSSCGKSA-N 0 0 447.486 4.677 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4cccc(F)c4)c(=O)c23)cc1 ZINC000012776533 525786809 /nfs/dbraw/zinc/78/68/09/525786809.db2.gz WVWMQQRZWSYFMN-UHFFFAOYSA-N 0 0 435.524 4.621 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2ccco2)cc1 ZINC000035949280 525791794 /nfs/dbraw/zinc/79/17/94/525791794.db2.gz UMOQEZKXTRGKDC-QHCPKHFHSA-N 0 0 429.520 4.655 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197862 525823509 /nfs/dbraw/zinc/82/35/09/525823509.db2.gz GECYBCMROHAYJI-LRTDBIEQSA-N 0 0 448.375 4.958 50 0 IJAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(C)csc3n2)c1 ZINC000020583096 525835491 /nfs/dbraw/zinc/83/54/91/525835491.db2.gz BXFMRPWWYRYPDV-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)NC3CC3)cc2)o1 ZINC000022193090 525839346 /nfs/dbraw/zinc/83/93/46/525839346.db2.gz FREOSFADIYKZCT-UHFFFAOYSA-N 0 0 426.476 4.585 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(C(=O)NC5CC5)c4)cc3)o2)cc1 ZINC000012568807 525843733 /nfs/dbraw/zinc/84/37/33/525843733.db2.gz CKXFYXYRVQPIMU-UHFFFAOYSA-N 0 0 438.487 4.857 50 0 IJAARN COc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)O2)c1 ZINC000016247819 525856950 /nfs/dbraw/zinc/85/69/50/525856950.db2.gz UYPRYZJRIJFFMB-MTJSOVHGSA-N 0 0 433.435 4.766 50 0 IJAARN COc1cccc(CCC(=O)NC[C@@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c1 ZINC000014987846 525881160 /nfs/dbraw/zinc/88/11/60/525881160.db2.gz WCVWXUVUZHAZLU-QHCPKHFHSA-N 0 0 429.516 4.617 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012550170 525924888 /nfs/dbraw/zinc/92/48/88/525924888.db2.gz RCSVQCSCHSUYGX-UGSOOPFHSA-N 0 0 448.748 4.509 50 0 IJAARN CSc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000012415240 525949954 /nfs/dbraw/zinc/94/99/54/525949954.db2.gz FCHLGSRFFNCVFV-UHFFFAOYSA-N 0 0 449.985 4.680 50 0 IJAARN Cc1ccc([C@H](NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c2cccs2)cc1 ZINC000022192780 525963479 /nfs/dbraw/zinc/96/34/79/525963479.db2.gz IJOXCFLCBICDII-SFHVURJKSA-N 0 0 440.487 4.673 50 0 IJAARN CSc1ccc(CCNC(=O)CCN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1 ZINC000020927858 525985073 /nfs/dbraw/zinc/98/50/73/525985073.db2.gz HKZKPZJFYSZNJK-UHFFFAOYSA-N 0 0 447.560 4.613 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nnc(-c2cccs2)o1 ZINC000017665754 526002226 /nfs/dbraw/zinc/00/22/26/526002226.db2.gz JQKUPMACKQVBCS-KGLIPLIRSA-N 0 0 440.550 4.540 50 0 IJAARN Cc1ccc(C(=O)N(C)CCc2noc(COc3cccc(C(F)(F)F)c3)n2)cc1C ZINC000032961042 526058001 /nfs/dbraw/zinc/05/80/01/526058001.db2.gz PKVJIPXWPLTNMV-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccc(F)cc3F)ccc2OCC1=O ZINC000035909701 526058800 /nfs/dbraw/zinc/05/88/00/526058800.db2.gz DBJLMLFSHMOWFL-AWEZNQCLSA-N 0 0 440.421 4.838 50 0 IJAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034729516 526061135 /nfs/dbraw/zinc/06/11/35/526061135.db2.gz CDZFCQYRYPKJIJ-UHFFFAOYSA-N 0 0 445.538 4.821 50 0 IJAARN CSc1ccc2cc(CN3C(=O)N[C@](C)(c4cc(F)ccc4F)C3=O)c(Cl)nc2c1 ZINC000009253802 526082228 /nfs/dbraw/zinc/08/22/28/526082228.db2.gz OJZVURLQXAXMQW-OAQYLSRUSA-N 0 0 447.894 4.856 50 0 IJAARN C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012859488 526084366 /nfs/dbraw/zinc/08/43/66/526084366.db2.gz ZDKHKWFDEASJMT-KRWDZBQOSA-N 0 0 427.566 4.770 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(F)cc4)c3c2=O)c1 ZINC000035400777 526109367 /nfs/dbraw/zinc/10/93/67/526109367.db2.gz CBEOAHDXHMNFRK-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cccc(C)c3Cl)c2n1 ZINC000021151359 526116382 /nfs/dbraw/zinc/11/63/82/526116382.db2.gz HVQLTHBTLWKAEI-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(Cl)cc(OC)cc2OC)c1 ZINC000021104867 526142407 /nfs/dbraw/zinc/14/24/07/526142407.db2.gz OEBDAZCLAXHBIQ-OAQYLSRUSA-N 0 0 425.872 4.532 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)C1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000021945076 526167235 /nfs/dbraw/zinc/16/72/35/526167235.db2.gz BAGCYPDJPGTMMQ-UHFFFAOYSA-N 0 0 441.329 4.663 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1ccc2ccccc2c1 ZINC000012925068 526167480 /nfs/dbraw/zinc/16/74/80/526167480.db2.gz QAGLFLJJRIOYHO-UHFFFAOYSA-N 0 0 425.326 4.550 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC000012915800 526173181 /nfs/dbraw/zinc/17/31/81/526173181.db2.gz PPTIIZGMXVMODQ-UHFFFAOYSA-N 0 0 435.549 4.569 50 0 IJAARN COc1cccc(NC(=O)CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 ZINC000014914218 526173320 /nfs/dbraw/zinc/17/33/20/526173320.db2.gz ACNQRDOOWXYEDA-RUZDIDTESA-N 0 0 427.504 4.671 50 0 IJAARN C[C@@H](c1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)N(C)C ZINC000022620558 526183960 /nfs/dbraw/zinc/18/39/60/526183960.db2.gz PSGXMWWTIAZQRH-KSKOPSKJSA-N 0 0 442.604 4.907 50 0 IJAARN C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022912553 526187494 /nfs/dbraw/zinc/18/74/94/526187494.db2.gz MKMQJCNQBLJXCT-OAHLLOKOSA-N 0 0 434.437 4.773 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012797425 526195436 /nfs/dbraw/zinc/19/54/36/526195436.db2.gz ZLIVYZQSKGSCOM-OAHLLOKOSA-N 0 0 429.538 4.587 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000012905572 526203830 /nfs/dbraw/zinc/20/38/30/526203830.db2.gz HAIKLBUCVFSGGP-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN Cc1cc(C(=O)COc2cccc3c2CCC[C@H]3O)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012786847 526212734 /nfs/dbraw/zinc/21/27/34/526212734.db2.gz YJVDDRGFRSEAAO-WMZHIEFXSA-N 0 0 447.531 4.576 50 0 IJAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)c2cccc(F)c2F)C3)n1 ZINC000014879708 526221656 /nfs/dbraw/zinc/22/16/56/526221656.db2.gz UKWNUZLGXZZEJB-ZDUSSCGKSA-N 0 0 447.894 4.531 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)n2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)cc1C ZINC000035510895 526239574 /nfs/dbraw/zinc/23/95/74/526239574.db2.gz RUSYXYAVFNMXLJ-QGZVFWFLSA-N 0 0 440.478 4.911 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)n2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)cc1C ZINC000035510896 526241092 /nfs/dbraw/zinc/24/10/92/526241092.db2.gz RUSYXYAVFNMXLJ-KRWDZBQOSA-N 0 0 440.478 4.911 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000020579591 526241988 /nfs/dbraw/zinc/24/19/88/526241988.db2.gz RAJAWFWHZJSFDG-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCc3cc(=O)n4ccsc4n3)c2c1 ZINC000009389560 526242488 /nfs/dbraw/zinc/24/24/88/526242488.db2.gz SPGRWINOSYICLG-UHFFFAOYSA-N 0 0 427.485 4.637 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21 ZINC000020180872 526256354 /nfs/dbraw/zinc/25/63/54/526256354.db2.gz IRYYOMUCTRSPEY-CLYVFYLZSA-N 0 0 442.918 4.941 50 0 IJAARN Cc1nn(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)c1Cl ZINC000036616463 526280708 /nfs/dbraw/zinc/28/07/08/526280708.db2.gz OUBUMXQLUVJGCR-UHFFFAOYSA-N 0 0 448.958 4.503 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000012740511 526294985 /nfs/dbraw/zinc/29/49/85/526294985.db2.gz QBEPJLYCZRHVLN-UHFFFAOYSA-N 0 0 431.458 4.557 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccccc1Br ZINC000012857049 526295164 /nfs/dbraw/zinc/29/51/64/526295164.db2.gz IDTJVEAUTWHBPL-OAHLLOKOSA-N 0 0 441.373 4.871 50 0 IJAARN Cc1nn2c(nc(C)c(CC(=O)NC[C@@H](C)c3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000020437295 526309839 /nfs/dbraw/zinc/30/98/39/526309839.db2.gz UYAQVEBNBFXOCB-MRXNPFEDSA-N 0 0 430.527 4.923 50 0 IJAARN Fc1ccc(-c2csc3ncnc(Sc4nnnn4Cc4cccs4)c23)cc1 ZINC000021674078 526315674 /nfs/dbraw/zinc/31/56/74/526315674.db2.gz VROOBCIOLPXMAZ-UHFFFAOYSA-N 0 0 426.527 4.745 50 0 IJAARN Fc1ccc(-c2nnc(SCc3noc(-c4ccsc4)n3)n2C[C@@H]2CCCO2)cc1 ZINC000012913025 526318053 /nfs/dbraw/zinc/31/80/53/526318053.db2.gz YVGKCGRUPDDUNL-INIZCTEOSA-N 0 0 443.529 4.667 50 0 IJAARN Cc1csc(Cc2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)n1 ZINC000008987627 526368293 /nfs/dbraw/zinc/36/82/93/526368293.db2.gz KNGFKAMCGUHWCD-UHFFFAOYSA-N 0 0 433.624 4.731 50 0 IJAARN O=C(CCC(=O)Nc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 ZINC000017251478 526384799 /nfs/dbraw/zinc/38/47/99/526384799.db2.gz HSMWRFGTTSJSFI-UHFFFAOYSA-N 0 0 437.363 4.706 50 0 IJAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018959 526391851 /nfs/dbraw/zinc/39/18/51/526391851.db2.gz RZIBSIWSXUEBKH-XMMPIXPASA-N 0 0 443.934 4.752 50 0 IJAARN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000012551380 526402099 /nfs/dbraw/zinc/40/20/99/526402099.db2.gz SSILZUNGGXVGRZ-UHFFFAOYSA-N 0 0 439.437 4.905 50 0 IJAARN O=C(OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccs1 ZINC000012580852 526418311 /nfs/dbraw/zinc/41/83/11/526418311.db2.gz JEEDPBMCVQNFFJ-UHFFFAOYSA-N 0 0 448.544 4.735 50 0 IJAARN O=C(OCc1ccccc1)N1CCC[C@@H]1C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000022009290 526427589 /nfs/dbraw/zinc/42/75/89/526427589.db2.gz CWHKVBJSRGJFFN-LJQANCHMSA-N 0 0 427.298 4.914 50 0 in-vitro 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526670283 /nfs/dbraw/zinc/67/02/83/526670283.db2.gz PDZOEBNLIIHRGP-UHFFFAOYSA-N 0 0 445.441 4.625 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(/C=C/c4cccs4)n3)ccc21)N1CCCCC1 ZINC000035460370 526682518 /nfs/dbraw/zinc/68/25/18/526682518.db2.gz NWNGUMAVNTXFOC-VQHVLOKHSA-N 0 0 433.537 4.721 50 0 IJAARN O=C(CN(C(=O)c1cccs1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000036046054 526693317 /nfs/dbraw/zinc/69/33/17/526693317.db2.gz PJXCXQQITUNYON-UHFFFAOYSA-N 0 0 442.544 4.844 50 0 IJAARN Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cc1ccsc1 ZINC000012451230 526733126 /nfs/dbraw/zinc/73/31/26/526733126.db2.gz FIXZFKCEDQPGNH-UHFFFAOYSA-N 0 0 445.544 4.752 50 0 IJAARN O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1 ZINC000036054678 526736382 /nfs/dbraw/zinc/73/63/82/526736382.db2.gz SVQVFFWYCMKKLI-XZOQPEGZSA-N 0 0 436.914 4.651 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)c1)N1CCCCC1 ZINC000033311216 526774656 /nfs/dbraw/zinc/77/46/56/526774656.db2.gz HRAVFDWVCTZBIG-JOCHJYFZSA-N 0 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526830505 /nfs/dbraw/zinc/83/05/05/526830505.db2.gz GMHHUIPDODLOKD-UHFFFAOYSA-N 0 0 437.495 4.514 50 0 IJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012855019 526874386 /nfs/dbraw/zinc/87/43/86/526874386.db2.gz GFJIDAOXRPCOOE-OXJNMPFZSA-N 0 0 428.554 4.707 50 0 IJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C ZINC000035866746 526890909 /nfs/dbraw/zinc/89/09/09/526890909.db2.gz XENJOBVGZLSQSI-UHFFFAOYSA-N 0 0 446.576 4.649 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000015931300 526891769 /nfs/dbraw/zinc/89/17/69/526891769.db2.gz RYRNFUDALUUFKM-UXHICEINSA-N 0 0 426.442 4.742 50 0 IJAARN Cc1sc2[nH]c(SCC(=O)N3CCCC[C@H]3C)nc(=O)c2c1-c1ccc(F)cc1 ZINC000012877220 526894855 /nfs/dbraw/zinc/89/48/55/526894855.db2.gz KUDLDTPOPHXRRR-GFCCVEGCSA-N 0 0 431.558 4.592 50 0 IJAARN O=C(CNc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000012636595 526894856 /nfs/dbraw/zinc/89/48/56/526894856.db2.gz LWLXJIIYBUOQDU-UHFFFAOYSA-N 0 0 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O=C(CSc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)NC1CC1 ZINC000012825488 527043538 /nfs/dbraw/zinc/04/35/38/527043538.db2.gz MTEFEJLBQSQGIC-UHFFFAOYSA-N 0 0 448.573 4.686 50 0 IJAARN O=C(CSc1ccccc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000016400461 527043801 /nfs/dbraw/zinc/04/38/01/527043801.db2.gz AKDXWIKOIZABMM-UHFFFAOYSA-N 0 0 437.590 4.683 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000012917351 527064120 /nfs/dbraw/zinc/06/41/20/527064120.db2.gz CTNDPHVIXJFSAN-HNNXBMFYSA-N 0 0 437.468 4.695 50 0 IJAARN O=C(CSc1nccn(-c2cccc(Cl)c2)c1=O)Nc1ccccc1C(F)(F)F ZINC000020597826 527070970 /nfs/dbraw/zinc/07/09/70/527070970.db2.gz OZDHVPUVYGQIPL-UHFFFAOYSA-N 0 0 439.846 4.636 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)N1CCCc2ccccc21 ZINC000033328823 527088963 /nfs/dbraw/zinc/08/89/63/527088963.db2.gz TVJQYPXZYAZNNX-UHFFFAOYSA-N 0 0 441.516 4.609 50 0 IJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012552281 527112287 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O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000012890988 527233807 /nfs/dbraw/zinc/23/38/07/527233807.db2.gz GYFQYTBHNNWTMX-UHFFFAOYSA-N 0 0 432.876 4.961 50 0 IJAARN O=S(=O)(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1cccs1 ZINC000021038215 527240344 /nfs/dbraw/zinc/24/03/44/527240344.db2.gz LUPWNCLXJXOOHR-KRWDZBQOSA-N 0 0 431.926 4.519 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000009544314 527254565 /nfs/dbraw/zinc/25/45/65/527254565.db2.gz QVUCBCTWQXUWAT-UHFFFAOYSA-N 0 0 447.516 4.532 50 0 IJAARN O=S(=O)(c1cc(-c2noc(C3CCCC3)n2)cs1)N1CC=C(c2ccccc2)CC1 ZINC000035454902 527265168 /nfs/dbraw/zinc/26/51/68/527265168.db2.gz UEPIDXXTUINKGH-UHFFFAOYSA-N 0 0 441.578 4.934 50 0 IJAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCC[C@H]1c1ccccc1 ZINC000012902535 527265910 /nfs/dbraw/zinc/26/59/10/527265910.db2.gz AHTBITDQTUDCRF-HNNXBMFYSA-N 0 0 445.176 4.737 50 0 IJAARN O=S(=O)(c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1)N1CCOCC1 ZINC000012610366 527268309 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O=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1 ZINC000020583041 527435756 /nfs/dbraw/zinc/43/57/56/527435756.db2.gz DTIZFMHBGGDXNG-UHFFFAOYSA-N 0 0 427.938 4.954 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000012754224 527454878 /nfs/dbraw/zinc/45/48/78/527454878.db2.gz UGTYPNCCILWRIJ-CQSZACIVSA-N 0 0 447.343 4.872 50 0 IJAARN O=c1cc(-c2ccccc2)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]1 ZINC000012414993 527474861 /nfs/dbraw/zinc/47/48/61/527474861.db2.gz VIXPGYWIMJCOKU-UHFFFAOYSA-N 0 0 430.411 4.798 50 0 IJAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012728126 527505475 /nfs/dbraw/zinc/50/54/75/527505475.db2.gz VCQMJQOYPZAODP-ZWGBCBFGSA-N 0 0 439.581 4.695 50 0 IJAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cnccn1 ZINC000012769309 527519672 /nfs/dbraw/zinc/51/96/72/527519672.db2.gz PAMICXWTFHFHPH-UHFFFAOYSA-N 0 0 432.349 4.814 50 0 IJAARN Cc1nn(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021652877 527521908 /nfs/dbraw/zinc/52/19/08/527521908.db2.gz ABCADQNJKOGNBS-UHFFFAOYSA-N 0 0 435.955 4.962 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000012805360 527534844 /nfs/dbraw/zinc/53/48/44/527534844.db2.gz QPHJGVLWKYFJNC-OAHLLOKOSA-N 0 0 429.442 4.910 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012112332 527539581 /nfs/dbraw/zinc/53/95/81/527539581.db2.gz JJKBZIZEXKFKKN-HSZRJFAPSA-N 0 0 443.526 4.550 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1cc(-c2ccc(C)cc2)no1 ZINC000020813291 527539610 /nfs/dbraw/zinc/53/96/10/527539610.db2.gz BVGKVNKZGHZPOU-UHFFFAOYSA-N 0 0 429.524 4.523 50 0 IJAARN O=C(Nc1sccc1C(=O)N1CCOCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000016400545 527542094 /nfs/dbraw/zinc/54/20/94/527542094.db2.gz SHXPQYVXJFDMKI-HXUWFJFHSA-N 0 0 438.574 4.693 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc12 ZINC000012650177 527565658 /nfs/dbraw/zinc/56/56/58/527565658.db2.gz LMWLKXYAEOMIPZ-OKILXGFUSA-N 0 0 445.972 4.995 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc12 ZINC000012650180 527566368 /nfs/dbraw/zinc/56/63/68/527566368.db2.gz LMWLKXYAEOMIPZ-KBPBESRZSA-N 0 0 445.972 4.995 50 0 IJAARN O=C(/C=C/c1cccs1)N(Cc1ccc(OC[C@@H]2CCOC2)cc1)Cc1cccnc1 ZINC000012247636 527640246 /nfs/dbraw/zinc/64/02/46/527640246.db2.gz KZEUBGVSMGFVRQ-DGSRBQDKSA-N 0 0 434.561 4.801 50 0 IJAARN O=C(/C=C/c1cccs1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1 ZINC000012154378 527640633 /nfs/dbraw/zinc/64/06/33/527640633.db2.gz IDDMSPXMBGHDKW-LCCNJJIFSA-N 0 0 434.561 4.801 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020714105 527656558 /nfs/dbraw/zinc/65/65/58/527656558.db2.gz XEWHEEQHGIOEQJ-AREMUKBSSA-N 0 0 443.522 4.840 50 0 IJAARN O=C(/C=C\c1cccs1)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000035213822 527659443 /nfs/dbraw/zinc/65/94/43/527659443.db2.gz DQKHJNUZNFZAHB-LUAWRHEFSA-N 0 0 425.893 4.828 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)c12 ZINC000012733616 527683721 /nfs/dbraw/zinc/68/37/21/527683721.db2.gz FLNPQTXDUZUALS-UHFFFAOYSA-N 0 0 434.540 4.714 50 0 IJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000002294917 534935198 /nfs/dbraw/zinc/93/51/98/534935198.db2.gz SBTOVYDXPWSFFK-MUUNZHRXSA-N 0 0 438.527 4.804 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 ZINC000006705346 534983528 /nfs/dbraw/zinc/98/35/28/534983528.db2.gz PXIRENKUBMSVLQ-FQEVSTJZSA-N 0 0 426.580 4.688 50 0 IJAARN CCCNC(=O)[C@@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000014171547 535113713 /nfs/dbraw/zinc/11/37/13/535113713.db2.gz CSWBEULYVMMJFF-VWLOTQADSA-N 0 0 428.532 4.529 50 0 IJAARN CC(C)(C)c1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)/C(=C/c1ccccc1)O2 ZINC000003050425 535123930 /nfs/dbraw/zinc/12/39/30/535123930.db2.gz LZVUHXZUORQGQX-UCQKPKSFSA-N 0 0 430.504 4.660 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NC[C@H]2CCCO2)c1)c1ccccc1 ZINC000000736898 535430258 /nfs/dbraw/zinc/43/02/58/535430258.db2.gz DYFCFNKAOGQAHN-DHIUTWEWSA-N 0 0 449.595 4.718 50 0 IJAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c2ccccc2O1 ZINC000006846821 536116564 /nfs/dbraw/zinc/11/65/64/536116564.db2.gz NKVYJVMRDBRANW-NRFANRHFSA-N 0 0 425.573 4.503 50 0 IJAARN COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5OC)CC4)c23)cc1 ZINC000000628339 536501905 /nfs/dbraw/zinc/50/19/05/536501905.db2.gz BGXBASVKZMVIMZ-UHFFFAOYSA-N 0 0 432.549 4.702 50 0 IJAARN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc(OC)c1OC ZINC000003433311 536527528 /nfs/dbraw/zinc/52/75/28/536527528.db2.gz OEHHLIGORIYVDO-UHFFFAOYSA-N 0 0 438.446 4.974 50 0 IJAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000002436043 536655335 /nfs/dbraw/zinc/65/53/35/536655335.db2.gz ZHOMNXMOKHFBAA-PXLXIMEGSA-N 0 0 428.488 4.961 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000008747568 537066921 /nfs/dbraw/zinc/06/69/21/537066921.db2.gz VMVVUDKIBMEHHG-UHFFFAOYSA-N 0 0 430.426 4.936 50 0 IJAARN COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 ZINC000000625371 555512416 /nfs/dbraw/zinc/51/24/16/555512416.db2.gz BLXYPRDNVQXCHD-UHFFFAOYSA-N 0 0 438.734 4.615 50 0 IJAARN O=C(Nc1ccc(Br)cc1I)c1ccc(Cl)cc1 ZINC000000626874 555512904 /nfs/dbraw/zinc/51/29/04/555512904.db2.gz IQRJTJKNKJRTEC-UHFFFAOYSA-N 0 0 436.474 4.959 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2cccc(Cl)c2)o1 ZINC000000629443 555514047 /nfs/dbraw/zinc/51/40/47/555514047.db2.gz TZVHMNCOKQYGJE-UHFFFAOYSA-N 0 0 429.900 4.961 50 0 IJAARN O=C(Cn1c(=O)sc2cccc(Cl)c21)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000632907 555515489 /nfs/dbraw/zinc/51/54/89/555515489.db2.gz NCQUUCIFPSPXIO-QFIPXVFZSA-N 0 0 437.904 4.884 50 0 IJAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)cc2c1 ZINC000000644919 555520167 /nfs/dbraw/zinc/52/01/67/555520167.db2.gz NZUZWIIVPRUDEP-OAQYLSRUSA-N 0 0 443.956 4.706 50 0 IJAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000000648864 555522163 /nfs/dbraw/zinc/52/21/63/555522163.db2.gz JJELKULTESDGRJ-UHFFFAOYSA-N 0 0 439.585 4.575 50 0 IJAARN CCc1ccc(OCc2cccc(C(=O)Nn3c(C)nc4sc(C)c(C)c4c3=O)c2)cc1 ZINC000000652700 555523494 /nfs/dbraw/zinc/52/34/94/555523494.db2.gz AYIXRQJDEGVWBS-UHFFFAOYSA-N 0 0 447.560 4.909 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000660952 555526775 /nfs/dbraw/zinc/52/67/75/555526775.db2.gz YKGLUOBTQNEHQT-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(I)c1 ZINC000000666908 555528980 /nfs/dbraw/zinc/52/89/80/555528980.db2.gz QJRQJMRSLKJQDX-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc(Cl)cc2C)c1C(N)=O ZINC000000674026 555532847 /nfs/dbraw/zinc/53/28/47/555532847.db2.gz KAGQCMJNDMQGCX-UHFFFAOYSA-N 0 0 428.941 4.726 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000000674851 555533725 /nfs/dbraw/zinc/53/37/25/555533725.db2.gz OUULOMTZXUBWJE-VQTJNVASSA-N 0 0 444.457 4.824 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 ZINC000000674897 555533750 /nfs/dbraw/zinc/53/37/50/555533750.db2.gz JOQMYFRHTQQNFT-WOJBJXKFSA-N 0 0 444.457 4.525 50 0 IJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000676836 555535197 /nfs/dbraw/zinc/53/51/97/555535197.db2.gz GMVUFCRPUOFGDO-IBGZPJMESA-N 0 0 444.597 4.638 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccnc1Cl ZINC000000682460 555538047 /nfs/dbraw/zinc/53/80/47/555538047.db2.gz GQLGLUKDTFOQAP-QMMMGPOBSA-N 0 0 434.515 4.666 50 0 IJAARN Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000000682898 555538160 /nfs/dbraw/zinc/53/81/60/555538160.db2.gz VBXNDDGSFPPUSE-LBPRGKRZSA-N 0 0 427.136 4.604 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1O ZINC000000682986 555538441 /nfs/dbraw/zinc/53/84/41/555538441.db2.gz XORAVNKUNNPVJK-JTQLQIEISA-N 0 0 429.108 4.632 50 0 IJAARN CSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)N(C(C)=O)c1ccccc1-2 ZINC000000683332 555538753 /nfs/dbraw/zinc/53/87/53/555538753.db2.gz SGWNLMWHEXWZBX-INIZCTEOSA-N 0 0 449.355 4.529 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Br)cc1 ZINC000000686666 555540078 /nfs/dbraw/zinc/54/00/78/555540078.db2.gz GCFRDUNWTQWIKV-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000000686629 555540172 /nfs/dbraw/zinc/54/01/72/555540172.db2.gz NBGFBYNTQKUALK-XLIONFOSSA-N 0 0 430.618 4.787 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2CC)cc1 ZINC000000687602 555541021 /nfs/dbraw/zinc/54/10/21/555541021.db2.gz UDNOVRVVCMVRAM-INIZCTEOSA-N 0 0 426.542 4.568 50 0 IJAARN C[C@@H]1CCCN(C(=O)/C(=C/c2cccc(F)c2)NC(=O)c2ccccc2Br)C1 ZINC000000688964 555541358 /nfs/dbraw/zinc/54/13/58/555541358.db2.gz NZXDZMSEFOTWRW-CTFRJJSNSA-N 0 0 445.332 4.618 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 ZINC000000688640 555541414 /nfs/dbraw/zinc/54/14/14/555541414.db2.gz SBWJCYMDBOSBJK-KRWDZBQOSA-N 0 0 427.456 4.532 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 ZINC000000703966 555544351 /nfs/dbraw/zinc/54/43/51/555544351.db2.gz PIYIRDOXONLGPR-UHFFFAOYSA-N 0 0 440.550 4.777 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2ccccc2C(C)C)c(C(=O)OCC)c1C ZINC000000729746 555552570 /nfs/dbraw/zinc/55/25/70/555552570.db2.gz MJXYJMZAJZZEDX-UHFFFAOYSA-N 0 0 433.526 4.551 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2Br)sc2c1CCC2 ZINC000000729801 555552578 /nfs/dbraw/zinc/55/25/78/555552578.db2.gz GKNWYRMNPKAHPE-UHFFFAOYSA-N 0 0 438.343 4.502 50 0 IJAARN CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 ZINC000000738774 555553260 /nfs/dbraw/zinc/55/32/60/555553260.db2.gz IYOPEOUJWHAROF-UHFFFAOYSA-N 0 0 430.499 4.694 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 ZINC000000759269 555554111 /nfs/dbraw/zinc/55/41/11/555554111.db2.gz DNQAZBYDZRMZPV-AWEZNQCLSA-N 0 0 430.570 4.658 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827020 555565488 /nfs/dbraw/zinc/56/54/88/555565488.db2.gz JIJCJMKTOJJJEO-UHFFFAOYSA-N 0 0 446.410 4.516 50 0 IJAARN CN(c1ccc(C(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000000835460 555567011 /nfs/dbraw/zinc/56/70/11/555567011.db2.gz QDNSXDSZVBXHEK-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000844093 555568390 /nfs/dbraw/zinc/56/83/90/555568390.db2.gz LSIJAFXFPQNMNL-UHFFFAOYSA-N 0 0 449.912 4.703 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)NC(=S)N1 ZINC000000845543 555569311 /nfs/dbraw/zinc/56/93/11/555569311.db2.gz QDJUNSNTZOIWLQ-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN COC(=O)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000845258 555569343 /nfs/dbraw/zinc/56/93/43/555569343.db2.gz VPQLNDXBJXTJLN-UHFFFAOYSA-N 0 0 434.599 4.618 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc5c(c4)OCO5)c3n2)cc1 ZINC000000848684 555570189 /nfs/dbraw/zinc/57/01/89/555570189.db2.gz FTNYQSZVADIGPH-UHFFFAOYSA-N 0 0 440.381 4.705 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2cccc(Cl)c2)NC(=S)N1 ZINC000000862574 555572961 /nfs/dbraw/zinc/57/29/61/555572961.db2.gz UJMMUOINJUFQCT-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000000876365 555576197 /nfs/dbraw/zinc/57/61/97/555576197.db2.gz GSPCSUZMGVMNPM-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000876325 555576220 /nfs/dbraw/zinc/57/62/20/555576220.db2.gz CUADQDMZRXNRFC-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1OC ZINC000000881505 555577526 /nfs/dbraw/zinc/57/75/26/555577526.db2.gz YQIZEMWJRMQMAM-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)c1 ZINC000000884087 555578369 /nfs/dbraw/zinc/57/83/69/555578369.db2.gz WCQKBTHHADHALD-MOPGFXCFSA-N 0 0 448.420 4.621 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)c1 ZINC000000884182 555578722 /nfs/dbraw/zinc/57/87/22/555578722.db2.gz NYAPBWFNFGQALT-SJORKVTESA-N 0 0 436.459 4.544 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccncc2)cc1 ZINC000000897257 555580561 /nfs/dbraw/zinc/58/05/61/555580561.db2.gz OMDKHKMKHVQTQL-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000000917415 555583767 /nfs/dbraw/zinc/58/37/67/555583767.db2.gz BIBZPLZVKFHFTG-UHFFFAOYSA-N 0 0 449.502 4.968 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000951524 555589150 /nfs/dbraw/zinc/58/91/50/555589150.db2.gz SVOABJLKPLRQLX-OAQYLSRUSA-N 0 0 448.906 4.503 50 0 IJAARN COc1cc(NC(=O)COc2c(C)cc(Br)cc2C)c(OC)cc1Cl ZINC000000955077 555590078 /nfs/dbraw/zinc/59/00/78/555590078.db2.gz JVPAROWSEHKVRP-UHFFFAOYSA-N 0 0 428.710 4.754 50 0 IJAARN O=C1S[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000000969728 555591144 /nfs/dbraw/zinc/59/11/44/555591144.db2.gz MCHBTSZWZBXBOE-ZDUSSCGKSA-N 0 0 442.132 4.850 50 0 IJAARN O=C1C[C@@H](Sc2nnc(SCc3ccc(Cl)cc3)s2)C(=O)N1c1ccccc1 ZINC000000986315 555594790 /nfs/dbraw/zinc/59/47/90/555594790.db2.gz YXQJVRBGKDAAOF-OAHLLOKOSA-N 0 0 447.994 4.908 50 0 IJAARN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc42)C3=O)cc1 ZINC000000990556 555595938 /nfs/dbraw/zinc/59/59/38/555595938.db2.gz UMFNGCYWWSDJPF-UHFFFAOYSA-N 0 0 449.462 4.989 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(OCC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000000993080 555597152 /nfs/dbraw/zinc/59/71/52/555597152.db2.gz PBDDJJSCRGXXEB-UHFFFAOYSA-N 0 0 440.293 4.972 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4c(=O)o3)c2C(N)=O)C1 ZINC000000995026 555598070 /nfs/dbraw/zinc/59/80/70/555598070.db2.gz HTGYRNQUCNFGIY-AWEZNQCLSA-N 0 0 438.549 4.747 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c1 ZINC000000997713 555599294 /nfs/dbraw/zinc/59/92/94/555599294.db2.gz JEKSONZBBWBYJI-UHFFFAOYSA-N 0 0 444.443 4.629 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000000997739 555599337 /nfs/dbraw/zinc/59/93/37/555599337.db2.gz PSHNNPOXZYOMBJ-SNVBAGLBSA-N 0 0 429.929 4.841 50 0 aggregator IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000001003994 555600846 /nfs/dbraw/zinc/60/08/46/555600846.db2.gz ULAUCLVWYFUYFI-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN O=C(CN1C(=O)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O)c1ccc(Cl)cc1 ZINC000001013180 555602212 /nfs/dbraw/zinc/60/22/12/555602212.db2.gz WCHUCRJYXQROMN-FMQZQXMHSA-N 0 0 436.272 4.641 50 0 IJAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3c(F)cc(F)cc3Br)nn21 ZINC000001013663 555602290 /nfs/dbraw/zinc/60/22/90/555602290.db2.gz HDECPVZMHHVOTE-UHFFFAOYSA-N 0 0 443.251 4.998 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001018490 555603167 /nfs/dbraw/zinc/60/31/67/555603167.db2.gz AIFJKHYZJGHRGI-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc3c4c(cccc42)CC3)nnc1-c1ccc(N)cc1 ZINC000001019429 555603464 /nfs/dbraw/zinc/60/34/64/555603464.db2.gz CAIYSMNDOYHLKS-UHFFFAOYSA-N 0 0 429.549 4.530 50 0 IJAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Oc1cncc(Cl)c1 ZINC000001031441 555606030 /nfs/dbraw/zinc/60/60/30/555606030.db2.gz DZEFZCFJVLEBIO-UHFFFAOYSA-N 0 0 446.912 4.813 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2csc3ccccc23)c(C(=O)OC)c1C ZINC000001056218 555614504 /nfs/dbraw/zinc/61/45/04/555614504.db2.gz VFGPOFGAJWHERV-UHFFFAOYSA-N 0 0 430.551 4.792 50 0 IJAARN O=C(CCSc1nnc(Nc2ccccc2)n1-c1ccccc1)NCc1ccccc1 ZINC000001060090 555615718 /nfs/dbraw/zinc/61/57/18/555615718.db2.gz WMMWYWJCUTXWDH-UHFFFAOYSA-N 0 0 429.549 4.810 50 0 IJAARN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001059503 555615857 /nfs/dbraw/zinc/61/58/57/555615857.db2.gz GHPMEUIGIZKPGZ-UHFFFAOYSA-N 0 0 426.563 4.911 50 0 IJAARN CCOC(=O)C1=C(CNc2ccc(C)c(Cl)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001069998 555620625 /nfs/dbraw/zinc/62/06/25/555620625.db2.gz XUMIGMCWRXJXLE-LJQANCHMSA-N 0 0 434.323 4.585 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000001072334 555621954 /nfs/dbraw/zinc/62/19/54/555621954.db2.gz RQRAICTXEJDNDB-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)ccc1OC(C)C ZINC000001074706 555623570 /nfs/dbraw/zinc/62/35/70/555623570.db2.gz GSXRDSQZTXQEJZ-QFIPXVFZSA-N 0 0 430.545 4.766 50 0 IJAARN O=c1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c2ccccc2[nH]1 ZINC000001075163 555623640 /nfs/dbraw/zinc/62/36/40/555623640.db2.gz NQDCQGQUCCRLAM-UHFFFAOYSA-N 0 0 429.476 4.659 50 0 IJAARN CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001078263 555625236 /nfs/dbraw/zinc/62/52/36/555625236.db2.gz ADHPLJZOOJKPFT-UHFFFAOYSA-N 0 0 444.940 4.782 50 0 IJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000001080688 555625944 /nfs/dbraw/zinc/62/59/44/555625944.db2.gz DIPWQLMSRKMYBF-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 ZINC000001091375 555627220 /nfs/dbraw/zinc/62/72/20/555627220.db2.gz ACFOJLAQJKRVIR-AYIBLLACSA-N 0 0 441.914 4.788 50 0 IJAARN Brc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2cccnc2)cc1 ZINC000001105470 555629222 /nfs/dbraw/zinc/62/92/22/555629222.db2.gz BMSKSJWNYYVBDV-KRWDZBQOSA-N 0 0 431.359 4.753 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)C(c2ccc(O)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000001108124 555629813 /nfs/dbraw/zinc/62/98/13/555629813.db2.gz RWJUFKSPXBGZPI-UHFFFAOYSA-N 0 0 439.515 4.904 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000001107914 555629851 /nfs/dbraw/zinc/62/98/51/555629851.db2.gz PLWPBDAXDVSMFY-INIZCTEOSA-N 0 0 435.760 4.836 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2CC)cc1 ZINC000001108653 555630185 /nfs/dbraw/zinc/63/01/85/555630185.db2.gz QHCDLKKDXHWKPF-UHFFFAOYSA-N 0 0 442.610 4.861 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(CSCc3ccc(Cl)cc3)n2C)cc1 ZINC000001109007 555630458 /nfs/dbraw/zinc/63/04/58/555630458.db2.gz BCSJCYLUYKSCRS-UHFFFAOYSA-N 0 0 449.001 4.641 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3)nn12 ZINC000001116196 555634690 /nfs/dbraw/zinc/63/46/90/555634690.db2.gz ZORVLWBNRPKZJT-SNVBAGLBSA-N 0 0 448.335 4.874 50 0 IJAARN CCOC(=O)c1sc(NC(=S)N[C@@H]2CCCc3ccccc32)c(C(=O)OCC)c1C ZINC000001121393 555638292 /nfs/dbraw/zinc/63/82/92/555638292.db2.gz YHOXPWNCPVSZGO-MRXNPFEDSA-N 0 0 446.594 4.774 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2ccccc2OCc2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000001124023 555639350 /nfs/dbraw/zinc/63/93/50/555639350.db2.gz AQQKLVDXVPRUOB-UHFFFAOYSA-N 0 0 428.488 4.788 50 0 IJAARN O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001125320 555640224 /nfs/dbraw/zinc/64/02/24/555640224.db2.gz AUUKHLXGGUEYKK-UHFFFAOYSA-N 0 0 427.243 4.922 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@H](O)c3ccccc3)n2-c2ccccc2)c(C)c1 ZINC000001127763 555642168 /nfs/dbraw/zinc/64/21/68/555642168.db2.gz KZVRDORGEBYLDW-HSZRJFAPSA-N 0 0 444.560 4.697 50 0 IJAARN Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000001128109 555642631 /nfs/dbraw/zinc/64/26/31/555642631.db2.gz OFSNYNGBHBBMCJ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000001134226 555646321 /nfs/dbraw/zinc/64/63/21/555646321.db2.gz MMKLTGNXWIYHSM-UHFFFAOYSA-N 0 0 440.750 4.578 50 0 IJAARN COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1 ZINC000001140887 555649743 /nfs/dbraw/zinc/64/97/43/555649743.db2.gz HOHIXSDKUJLKEX-UHFFFAOYSA-N 0 0 447.531 4.721 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 ZINC000001142947 555651243 /nfs/dbraw/zinc/65/12/43/555651243.db2.gz PNZWXZODNMEWCT-UHFFFAOYSA-N 0 0 431.359 4.538 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000001148713 555655266 /nfs/dbraw/zinc/65/52/66/555655266.db2.gz KMQKPLBPRUQHNO-UHFFFAOYSA-N 0 0 448.894 4.689 50 0 IJAARN COc1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000001149182 555655612 /nfs/dbraw/zinc/65/56/12/555655612.db2.gz ZTHCHULMLBPRSD-LJQANCHMSA-N 0 0 442.562 4.614 50 0 IJAARN CC1(C)C(=O)[C@](C)(CC(=O)c2ccc(Br)cc2)C(=O)O[C@H]1c1ccccc1 ZINC000001150345 555656145 /nfs/dbraw/zinc/65/61/45/555656145.db2.gz BPBIGKXXPPRDGP-AVRDEDQJSA-N 0 0 429.310 4.922 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001151347 555656726 /nfs/dbraw/zinc/65/67/26/555656726.db2.gz RISZHJQYBWPLEC-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN Cc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001152959 555657307 /nfs/dbraw/zinc/65/73/07/555657307.db2.gz XEDUSPSJRQZJPS-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2Cl)cc1 ZINC000001152649 555657329 /nfs/dbraw/zinc/65/73/29/555657329.db2.gz RZNYIZSDOCQQTD-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 ZINC000001154405 555658101 /nfs/dbraw/zinc/65/81/01/555658101.db2.gz SLXRLSFYXAFANU-MRXNPFEDSA-N 0 0 428.291 4.703 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000001157369 555659917 /nfs/dbraw/zinc/65/99/17/555659917.db2.gz QGXBBPBAPOKKFE-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)F)cc1 ZINC000001167469 555664717 /nfs/dbraw/zinc/66/47/17/555664717.db2.gz YXNKDADZDLUXLQ-AWEZNQCLSA-N 0 0 432.370 4.748 50 0 IJAARN COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 ZINC000001170898 555666476 /nfs/dbraw/zinc/66/64/76/555666476.db2.gz CVLVHBWNCFQNAI-UHFFFAOYSA-N 0 0 449.400 4.558 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001171372 555666721 /nfs/dbraw/zinc/66/67/21/555666721.db2.gz ZRNDYNFOVGKUQP-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2cc(C)cc(C)c2)cc1 ZINC000001171515 555666976 /nfs/dbraw/zinc/66/69/76/555666976.db2.gz PPMAFZLIUVZNLW-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 ZINC000001181260 555671925 /nfs/dbraw/zinc/67/19/25/555671925.db2.gz NQYLZOYCNVHLLV-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 ZINC000001182132 555672238 /nfs/dbraw/zinc/67/22/38/555672238.db2.gz HBCPTCBTEBGYCJ-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1ccc(C(=O)N[C@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001193803 555676144 /nfs/dbraw/zinc/67/61/44/555676144.db2.gz WESKIWYHQZEKFY-INIZCTEOSA-N 0 0 438.138 4.895 50 0 IJAARN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000001196959 555677371 /nfs/dbraw/zinc/67/73/71/555677371.db2.gz YLGKJSAOVDGZSV-UHFFFAOYSA-N 0 0 430.323 4.789 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000001207977 555681294 /nfs/dbraw/zinc/68/12/94/555681294.db2.gz DXYUMKBLSOGIDW-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCC(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000001216617 555684289 /nfs/dbraw/zinc/68/42/89/555684289.db2.gz JPESAJIWDHMFRT-UHFFFAOYSA-N 0 0 428.657 4.545 50 0 IJAARN COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 ZINC000001219063 555685104 /nfs/dbraw/zinc/68/51/04/555685104.db2.gz MQALZBZQOLWIKI-UHFFFAOYSA-N 0 0 426.476 4.694 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000001218903 555685115 /nfs/dbraw/zinc/68/51/15/555685115.db2.gz TUOGZKIYTKHRNC-UHFFFAOYSA-N 0 0 436.777 4.922 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000001220325 555685744 /nfs/dbraw/zinc/68/57/44/555685744.db2.gz GTTJDZAQAHGADZ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000001230297 555686601 /nfs/dbraw/zinc/68/66/01/555686601.db2.gz QVMXOZIUOQQIAE-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1cccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c1 ZINC000001322238 555690035 /nfs/dbraw/zinc/69/00/35/555690035.db2.gz UCKCPSODOHUIHD-ISKFKSNPSA-N 0 0 439.540 4.824 50 0 biogenic,in-vitro IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccn2)cc1 ZINC000001362569 555692197 /nfs/dbraw/zinc/69/21/97/555692197.db2.gz MBKGOMPAJINXAU-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccc(Br)c1 ZINC000001443481 555698136 /nfs/dbraw/zinc/69/81/36/555698136.db2.gz MJAXFJOGNSGOFO-UHFFFAOYSA-N 0 0 438.277 4.704 50 0 IJAARN COCCCN(Cc1cc(OC)c(OC)c(OC)c1)C(=S)Nc1cccc(Cl)c1 ZINC000001569262 555703450 /nfs/dbraw/zinc/70/34/50/555703450.db2.gz BGYICCOYBKZBLJ-UHFFFAOYSA-N 0 0 438.977 4.601 50 0 IJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000001778249 555714291 /nfs/dbraw/zinc/71/42/91/555714291.db2.gz IJNHIZOHAIDNES-OAHLLOKOSA-N 0 0 431.554 4.856 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000001848776 555720530 /nfs/dbraw/zinc/72/05/30/555720530.db2.gz RDKWLKQNQGDBIO-UHFFFAOYSA-N 0 0 447.535 4.673 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O ZINC000001942832 555725817 /nfs/dbraw/zinc/72/58/17/555725817.db2.gz BBEYINNHEIIECG-UHFFFAOYSA-N 0 0 433.533 4.779 50 0 IJAARN CN(C)c1cccc(-c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)c1 ZINC000071889789 555727039 /nfs/dbraw/zinc/72/70/39/555727039.db2.gz JHEPCNALKDPQSX-UHFFFAOYSA-N 0 0 428.330 4.662 50 0 IJAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000002060253 555731649 /nfs/dbraw/zinc/73/16/49/555731649.db2.gz HOMOUEHROCIHAJ-ZYHUDNBSSA-N 0 0 442.092 4.600 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000002081870 555738396 /nfs/dbraw/zinc/73/83/96/555738396.db2.gz USRYYCHCLHNSLS-SNVBAGLBSA-N 0 0 427.353 4.829 50 0 IJAARN Fc1cccc(-c2nnc([C@H]3CC34CCN(Cc3nc(Cc5ccccc5)no3)CC4)o2)c1 ZINC000071890578 555747341 /nfs/dbraw/zinc/74/73/41/555747341.db2.gz IIADKKKNOPSJED-HXUWFJFHSA-N 0 0 445.498 4.619 50 0 IJAARN O=c1nc2nc(SCc3cccc4ccccc43)[nH]cc-2c(=O)n1-c1cccc(Cl)c1 ZINC000002204077 555757740 /nfs/dbraw/zinc/75/77/40/555757740.db2.gz QSEJJYUSMOCTSI-UHFFFAOYSA-N 0 0 446.919 4.568 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000002219873 555759322 /nfs/dbraw/zinc/75/93/22/555759322.db2.gz CCFOKORIGAXYFN-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000002225055 555759563 /nfs/dbraw/zinc/75/95/63/555759563.db2.gz GZAZQAUEDIOQDX-UHFFFAOYSA-N 0 0 448.548 4.792 50 0 IJAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)cc1OC ZINC000002238496 555761176 /nfs/dbraw/zinc/76/11/76/555761176.db2.gz DGQAUSHMFUXZGF-GOTSBHOMSA-N 0 0 444.516 4.570 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000002260692 555763478 /nfs/dbraw/zinc/76/34/78/555763478.db2.gz KBUAITFLMKBKHN-LJQANCHMSA-N 0 0 428.838 4.620 50 0 IJAARN CC(C)(C)c1ccc(COn2c(=O)c(-c3ccc(Cl)cc3)[n+]([O-])c3ccccc32)cc1 ZINC000002313274 555767931 /nfs/dbraw/zinc/76/79/31/555767931.db2.gz JKAQRGFNTBGLBK-UHFFFAOYSA-N 0 0 434.923 4.882 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000002335664 555769460 /nfs/dbraw/zinc/76/94/60/555769460.db2.gz AIFUJPYLWAXRKL-UHFFFAOYSA-N 0 0 441.622 4.902 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1F ZINC000002337216 555769906 /nfs/dbraw/zinc/76/99/06/555769906.db2.gz QKZMLHXZGLOZRK-UHFFFAOYSA-N 0 0 428.514 4.826 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000002387202 555774916 /nfs/dbraw/zinc/77/49/16/555774916.db2.gz BDBXPHMVMJUBET-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000002434481 555778722 /nfs/dbraw/zinc/77/87/22/555778722.db2.gz RRMAHCRVMFZGGL-UHFFFAOYSA-N 0 0 427.382 4.988 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(OC)cc3)nnc2-c2ccco2)cc1 ZINC000002449189 555781167 /nfs/dbraw/zinc/78/11/67/555781167.db2.gz YEKJVBIZQVHOSR-UHFFFAOYSA-N 0 0 435.505 4.910 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)N2C(=O)CCSC2=N1 ZINC000002502032 555784538 /nfs/dbraw/zinc/78/45/38/555784538.db2.gz GRBQACZSQJGKIQ-FQEVSTJZSA-N 0 0 426.925 4.734 50 0 IJAARN O=C1Nc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)c3cccc1c23 ZINC000002503433 555784916 /nfs/dbraw/zinc/78/49/16/555784916.db2.gz HMUGEFMHPGUCNN-UHFFFAOYSA-N 0 0 428.513 4.797 50 0 IJAARN Cc1cc(C)c2c(N)c(-c3nnc(SCC(=O)c4ccc(Cl)cc4)n3C)sc2n1 ZINC000002510528 555785231 /nfs/dbraw/zinc/78/52/31/555785231.db2.gz OLGXWKWXIMJYPC-UHFFFAOYSA-N 0 0 443.985 4.919 50 0 IJAARN COc1ccc(Cl)cc1N1CCN(Cc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000034668203 555792381 /nfs/dbraw/zinc/79/23/81/555792381.db2.gz AGJUZNSKISAIFL-UHFFFAOYSA-N 0 0 449.982 4.601 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCc1cccnc1 ZINC000034675961 555794304 /nfs/dbraw/zinc/79/43/04/555794304.db2.gz ZMZZIVOPJLMILT-UHFFFAOYSA-N 0 0 443.478 4.520 50 0 IJAARN Cc1cccc(Cn2cnc3c2c(=O)n(C2CCCCC2)c(=O)n3-c2ccccc2C)c1 ZINC000034692809 555805269 /nfs/dbraw/zinc/80/52/69/555805269.db2.gz CFMSEFUTPOCQSI-UHFFFAOYSA-N 0 0 428.536 4.519 50 0 IJAARN CC[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(=O)OC)C1 ZINC000002737590 555806912 /nfs/dbraw/zinc/80/69/12/555806912.db2.gz DOCXSTXYLKHZHZ-SSDOTTSWSA-N 0 0 433.398 4.997 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)cc1OC)Nc1ccccc1-2 ZINC000002742070 555807472 /nfs/dbraw/zinc/80/74/72/555807472.db2.gz BUBIDQVHEIDPBH-HXUWFJFHSA-N 0 0 440.525 4.570 50 0 IJAARN COc1cc2c(cc1N1CC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C1=O)oc1ccccc12 ZINC000034696179 555810603 /nfs/dbraw/zinc/81/06/03/555810603.db2.gz QDPOQTLJWCGXFP-LPHOPBHVSA-N 0 0 428.488 4.825 50 0 IJAARN CCCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@H](C)C2 ZINC000002768041 555814314 /nfs/dbraw/zinc/81/43/14/555814314.db2.gz XVKMMEHECIIJPU-ZDUSSCGKSA-N 0 0 425.506 4.798 50 0 IJAARN O=C(Nc1ccc(N2CCN(Cc3ccsc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681594 555815003 /nfs/dbraw/zinc/81/50/03/555815003.db2.gz FYUIXRHPIRQODE-UHFFFAOYSA-N 0 0 446.498 4.736 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(C)=O)cc4)c3n2)cc1 ZINC000002770394 555815746 /nfs/dbraw/zinc/81/57/46/555815746.db2.gz RDIAXMMGNXSRDT-UHFFFAOYSA-N 0 0 436.418 4.797 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034683671 555819111 /nfs/dbraw/zinc/81/91/11/555819111.db2.gz ZNFGWEVVVGYROJ-UHFFFAOYSA-N 0 0 448.947 4.932 50 0 IJAARN COc1ccc(CN2CCC(N(C(=O)C(C)C)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683524 555819153 /nfs/dbraw/zinc/81/91/53/555819153.db2.gz HXHKIVCPSKPWIC-UHFFFAOYSA-N 0 0 444.547 4.505 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711896 555825154 /nfs/dbraw/zinc/82/51/54/555825154.db2.gz XNYMRQAJCQATPD-INIZCTEOSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712840 555826100 /nfs/dbraw/zinc/82/61/00/555826100.db2.gz FTCFXWXGVZPECY-IBGZPJMESA-N 0 0 428.941 4.951 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 ZINC000002816072 555828724 /nfs/dbraw/zinc/82/87/24/555828724.db2.gz VKBWDTLXCPFGFG-UHFFFAOYSA-N 0 0 447.000 4.850 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000002827746 555831431 /nfs/dbraw/zinc/83/14/31/555831431.db2.gz SDKZDUMFQMXXLI-GFCCVEGCSA-N 0 0 438.334 4.932 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000002836647 555833198 /nfs/dbraw/zinc/83/31/98/555833198.db2.gz YKXSOJHEBQDMDT-UHFFFAOYSA-N 0 0 440.540 4.526 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)cc2)cc1 ZINC000002841500 555835818 /nfs/dbraw/zinc/83/58/18/555835818.db2.gz CXZBFKAETWCWNG-VWLOTQADSA-N 0 0 444.531 4.772 50 0 IJAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)Nc1cccc(NC(C)=O)c1 ZINC000002851157 555839331 /nfs/dbraw/zinc/83/93/31/555839331.db2.gz AHBFFLHMLRHTPD-UHFFFAOYSA-N 0 0 439.562 4.893 50 0 IJAARN Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=S)Nc1ccc2c(c1)OCO2 ZINC000002852860 555840105 /nfs/dbraw/zinc/84/01/05/555840105.db2.gz SWKDRDOSLAXATL-UHFFFAOYSA-N 0 0 432.908 4.878 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000002853645 555840371 /nfs/dbraw/zinc/84/03/71/555840371.db2.gz CSPDHXLBTDQQME-UHFFFAOYSA-N 0 0 446.981 4.896 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)c1 ZINC000002853488 555840372 /nfs/dbraw/zinc/84/03/72/555840372.db2.gz UJEIFOAMJIRNNI-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CCc1c(C)sc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)c1C(=O)OC ZINC000002857513 555842363 /nfs/dbraw/zinc/84/23/63/555842363.db2.gz QTICDKWXUUYSPE-UHFFFAOYSA-N 0 0 428.963 4.885 50 0 IJAARN CN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002858040 555842766 /nfs/dbraw/zinc/84/27/66/555842766.db2.gz JIWFZWZDOSWPSH-UHFFFAOYSA-N 0 0 430.913 4.780 50 0 IJAARN O=C1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccc(Br)cc21 ZINC000002861428 555844745 /nfs/dbraw/zinc/84/47/45/555844745.db2.gz OWBCFXFSXUCDEI-UHFFFAOYSA-N 0 0 429.097 4.754 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000002861363 555844759 /nfs/dbraw/zinc/84/47/59/555844759.db2.gz GIQONTGHKSVBAU-HSZRJFAPSA-N 0 0 429.447 4.995 50 0 IJAARN CCOc1ccc(C(=O)N2Cc3cc(OC)c(OC)cc3C3(CCCC3)C2)cc1OC ZINC000002867440 555847822 /nfs/dbraw/zinc/84/78/22/555847822.db2.gz HTSGVSFAIHWMQA-UHFFFAOYSA-N 0 0 425.525 4.579 50 0 IJAARN CSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000002882708 555856225 /nfs/dbraw/zinc/85/62/25/555856225.db2.gz GSSZMNRVNHVZPZ-JCVNQNCUSA-N 0 0 427.327 4.867 50 0 IJAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2s1 ZINC000002884179 555856908 /nfs/dbraw/zinc/85/69/08/555856908.db2.gz RIRKAHBFVXPFKB-UHFFFAOYSA-N 0 0 441.406 4.852 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000002886342 555858010 /nfs/dbraw/zinc/85/80/10/555858010.db2.gz WJKMJWSASGYVKO-UHFFFAOYSA-N 0 0 438.549 4.982 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Br ZINC000002886244 555858028 /nfs/dbraw/zinc/85/80/28/555858028.db2.gz WKAZBUWRZCIDTM-UHFFFAOYSA-N 0 0 445.338 4.833 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000002886327 555858115 /nfs/dbraw/zinc/85/81/15/555858115.db2.gz OPXGWTLCWAAUTO-IBGZPJMESA-N 0 0 438.549 4.616 50 0 IJAARN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002958132 555867055 /nfs/dbraw/zinc/86/70/55/555867055.db2.gz BFZFUGMTNTUBII-FQEVSTJZSA-N 0 0 436.577 4.883 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)cc1Cl)Nc1ccccc1-2 ZINC000002978309 555870583 /nfs/dbraw/zinc/87/05/83/555870583.db2.gz ONDRQHUOBZNJHU-GOSISDBHSA-N 0 0 430.917 4.824 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000002991364 555875176 /nfs/dbraw/zinc/87/51/76/555875176.db2.gz GMNXULAYHKZDJB-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)S(C)(=O)=O)cc1C ZINC000002991901 555875213 /nfs/dbraw/zinc/87/52/13/555875213.db2.gz AVAQSZMIQABXCT-UHFFFAOYSA-N 0 0 448.654 4.531 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000002998984 555877356 /nfs/dbraw/zinc/87/73/56/555877356.db2.gz FQRSRMUJASJSPW-UHFFFAOYSA-N 0 0 432.958 4.737 50 0 IJAARN COc1cccc(CN2CCCN(c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)C2=O)c1 ZINC000034734057 555878725 /nfs/dbraw/zinc/87/87/25/555878725.db2.gz ZIERWWPUVHOPLC-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000003103403 555887299 /nfs/dbraw/zinc/88/72/99/555887299.db2.gz KGBCAOZNVZDDTB-QGZVFWFLSA-N 0 0 435.229 4.657 50 0 IJAARN Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000003130716 555890236 /nfs/dbraw/zinc/89/02/36/555890236.db2.gz OYKUTGUUWMORSC-OAHLLOKOSA-N 0 0 434.751 4.547 50 0 IJAARN COc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000034755605 555900744 /nfs/dbraw/zinc/90/07/44/555900744.db2.gz UFINBRISRJOFOC-UHFFFAOYSA-N 0 0 448.542 4.965 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3c(F)cccc3F)CC1)=Nc1ccccc1O2 ZINC000034813144 555910073 /nfs/dbraw/zinc/91/00/73/555910073.db2.gz BXZHZBGDLATJEA-UHFFFAOYSA-N 0 0 449.457 4.615 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2cccs2)[C@H](C)C1 ZINC000034813496 555910412 /nfs/dbraw/zinc/91/04/12/555910412.db2.gz DIJNGSZODCPEIT-MRXNPFEDSA-N 0 0 433.533 4.787 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000034814050 555910660 /nfs/dbraw/zinc/91/06/60/555910660.db2.gz CFECOHPEPROVLD-UHFFFAOYSA-N 0 0 446.482 4.868 50 0 IJAARN COc1cccc(-c2cc(C(=O)NCCc3ccccc3)nc3cc(C(C)(C)C)nn32)c1 ZINC000034832490 555912942 /nfs/dbraw/zinc/91/29/42/555912942.db2.gz NSDSLGQISYMWNZ-UHFFFAOYSA-N 0 0 428.536 4.675 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1nc(CCc2ccccc2)n(-c2ccccc2)n1 ZINC000034911587 555923581 /nfs/dbraw/zinc/92/35/81/555923581.db2.gz CBMCYISCOIMMSA-UHFFFAOYSA-N 0 0 435.531 4.506 50 0 IJAARN Cc1nc2sc([C@@H](c3ccc(Br)cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000034871150 555925752 /nfs/dbraw/zinc/92/57/52/555925752.db2.gz BFGPWIUEHZHZRY-BFQNTYOBSA-N 0 0 435.391 4.635 50 0 IJAARN O=C(C1CCCCC1)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921273 555931579 /nfs/dbraw/zinc/93/15/79/555931579.db2.gz ZPFMYHFMRSDPGA-UHFFFAOYSA-N 0 0 431.529 4.665 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2C)cc1 ZINC000034921454 555931831 /nfs/dbraw/zinc/93/18/31/555931831.db2.gz WJTAITLATXDJOL-UHFFFAOYSA-N 0 0 441.524 4.705 50 0 IJAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000034921682 555932020 /nfs/dbraw/zinc/93/20/20/555932020.db2.gz JDSWBLSESPPKKS-OAQYLSRUSA-N 0 0 431.621 4.825 50 0 IJAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(CCC)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000034921715 555932109 /nfs/dbraw/zinc/93/21/09/555932109.db2.gz IMQCNRUHRDFEEM-UHFFFAOYSA-N 0 0 449.592 4.621 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4cccc(C)c4)c(C)n3n2)cc1 ZINC000003631711 555942097 /nfs/dbraw/zinc/94/20/97/555942097.db2.gz DOOJFVIBBZVAHQ-UHFFFAOYSA-N 0 0 431.565 4.680 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000003656126 555944310 /nfs/dbraw/zinc/94/43/10/555944310.db2.gz WSFOJMAAWFTTMH-JOCHJYFZSA-N 0 0 447.393 4.545 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670214 555945730 /nfs/dbraw/zinc/94/57/30/555945730.db2.gz YDNIQQXDJXTGLM-QHCPKHFHSA-N 0 0 425.916 4.544 50 0 IJAARN CC[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000004177299 555973667 /nfs/dbraw/zinc/97/36/67/555973667.db2.gz ONGSQTSYOTZFPL-JTQLQIEISA-N 0 0 427.353 4.686 50 0 IJAARN Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)o1 ZINC000004181165 555974078 /nfs/dbraw/zinc/97/40/78/555974078.db2.gz YWZBXTVHYDUURE-UYRXBGFRSA-N 0 0 425.282 4.760 50 0 IJAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl ZINC000004195736 555975404 /nfs/dbraw/zinc/97/54/04/555975404.db2.gz SMYSKMXYRSIGPB-ALICBKBLSA-N 0 0 430.287 4.748 50 0 IJAARN Clc1ccccc1[C@H]1OCCOCCOCCOCCO[C@@H]1c1ccccc1Cl ZINC000004577030 556002346 /nfs/dbraw/zinc/00/23/46/556002346.db2.gz ZWBDHJPYSSIFKP-FGZHOGPDSA-N 0 0 441.351 4.872 50 0 IJAARN COc1ccc(CCNc2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)cc1OC ZINC000004757741 556010062 /nfs/dbraw/zinc/01/00/62/556010062.db2.gz WPHSMJYVJOLTKP-UHFFFAOYSA-N 0 0 433.430 4.843 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccccc2)o1 ZINC000010562795 556067867 /nfs/dbraw/zinc/06/78/67/556067867.db2.gz JNWIIKONOJAEIR-CQSZACIVSA-N 0 0 429.856 4.705 50 0 IJAARN COc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1Br ZINC000010562413 556068942 /nfs/dbraw/zinc/06/89/42/556068942.db2.gz GHRJZPPYHJYVCH-UHFFFAOYSA-N 0 0 445.265 4.669 50 0 IJAARN CCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)s1 ZINC000006391774 556086376 /nfs/dbraw/zinc/08/63/76/556086376.db2.gz FXHFMSTZNHHKAH-UHFFFAOYSA-N 0 0 440.326 4.726 50 0 IJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1C ZINC000006858803 556106544 /nfs/dbraw/zinc/10/65/44/556106544.db2.gz SUYRJPUFYJRYCR-LICLKQGHSA-N 0 0 434.439 4.997 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000006973630 556111862 /nfs/dbraw/zinc/11/18/62/556111862.db2.gz ZJUPUUDKNLYUOV-DOTOQJQBSA-N 0 0 436.459 4.544 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)c1 ZINC000002638720 556115457 /nfs/dbraw/zinc/11/54/57/556115457.db2.gz BEHLLBQHZVPDHA-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN CCN(CC)C(=O)C(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)N(CC)CC ZINC000002698191 556121484 /nfs/dbraw/zinc/12/14/84/556121484.db2.gz SXRIJNHXAGNZJA-UHFFFAOYSA-N 0 0 447.373 4.829 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(-c2ccccc2)n1 ZINC000002699493 556121776 /nfs/dbraw/zinc/12/17/76/556121776.db2.gz FIJXJAFFJVPSBQ-UHFFFAOYSA-N 0 0 429.501 4.814 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002702775 556122617 /nfs/dbraw/zinc/12/26/17/556122617.db2.gz BDUCENDVEILVBU-IBGZPJMESA-N 0 0 447.516 4.916 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccccc2)c1 ZINC000002720625 556127124 /nfs/dbraw/zinc/12/71/24/556127124.db2.gz FYWNEUISFGGNKU-UHFFFAOYSA-N 0 0 440.528 4.906 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000002723810 556129209 /nfs/dbraw/zinc/12/92/09/556129209.db2.gz OJMSDHZRWPZYTJ-UHFFFAOYSA-N 0 0 447.557 4.641 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc21 ZINC000002723930 556129231 /nfs/dbraw/zinc/12/92/31/556129231.db2.gz PGIKXFFYXZNABH-UHFFFAOYSA-N 0 0 443.594 4.586 50 0 aggregator IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)Cc1ccc(Cl)cc1 ZINC000002742275 556132996 /nfs/dbraw/zinc/13/29/96/556132996.db2.gz FTBOUJSHTLUBCF-UHFFFAOYSA-N 0 0 436.961 4.550 50 0 IJAARN CCn1cc(C2N=NC(=S)N2c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cn1 ZINC000002731223 556134473 /nfs/dbraw/zinc/13/44/73/556134473.db2.gz BPBHYAPJWLHAGQ-UHFFFAOYSA-N 0 0 448.383 4.608 50 0 IJAARN CCc1c(C)sc2ncn3nc(-c4ccc(Cn5nc(C)c(Cl)c5C)o4)nc3c12 ZINC000002790096 556139421 /nfs/dbraw/zinc/13/94/21/556139421.db2.gz JRGSXGJWIZNTGC-UHFFFAOYSA-N 0 0 426.933 4.985 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1cc(C)oc1C ZINC000002769572 556140156 /nfs/dbraw/zinc/14/01/56/556140156.db2.gz XZDRLCRURBQYDM-UHFFFAOYSA-N 0 0 426.494 4.948 50 0 IJAARN CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002799513 556142165 /nfs/dbraw/zinc/14/21/65/556142165.db2.gz SBHYYKNHTBILAM-UHFFFAOYSA-N 0 0 445.800 4.557 50 0 IJAARN COc1cc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)ccc1OC(F)F ZINC000002792122 556144239 /nfs/dbraw/zinc/14/42/39/556144239.db2.gz DDDGAZQXIPUYCV-UHFFFAOYSA-N 0 0 435.427 4.624 50 0 IJAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1nn(Cc2ccccc2)cc1Cl ZINC000002793500 556145048 /nfs/dbraw/zinc/14/50/48/556145048.db2.gz NJNYZYNSTRTVBI-UHFFFAOYSA-N 0 0 441.969 4.834 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=O)CSc3nccc(-c4ccc(Cl)cc4)n3)ccc12 ZINC000002806430 556145780 /nfs/dbraw/zinc/14/57/80/556145780.db2.gz SPSCJKYCBGYAOX-UHFFFAOYSA-N 0 0 437.908 4.943 50 0 IJAARN C[C@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002796714 556145841 /nfs/dbraw/zinc/14/58/41/556145841.db2.gz QQSRPWREMMDYMX-SNVBAGLBSA-N 0 0 432.475 4.920 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)Nc3c(C)cccc3C)sc2=S)cc1 ZINC000003018647 556156994 /nfs/dbraw/zinc/15/69/94/556156994.db2.gz POFPAORIXGTVCW-UHFFFAOYSA-N 0 0 427.551 4.896 50 0 IJAARN COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccccn3)n1C)oc1ccccc12 ZINC000008385302 556161172 /nfs/dbraw/zinc/16/11/72/556161172.db2.gz XOVOTRVJBGZEGN-UHFFFAOYSA-N 0 0 445.504 4.516 50 0 IJAARN CC1=NC(=S)N[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000008433411 556172764 /nfs/dbraw/zinc/17/27/64/556172764.db2.gz MTAUSXGYJQPZEV-XMMPIXPASA-N 0 0 444.556 4.802 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(F)cc1C ZINC000008439304 556175541 /nfs/dbraw/zinc/17/55/41/556175541.db2.gz GAETTXKMOZEBDD-UHFFFAOYSA-N 0 0 431.485 4.913 50 0 IJAARN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000008449253 556180767 /nfs/dbraw/zinc/18/07/67/556180767.db2.gz NRQTYVOOHSEEAQ-UHFFFAOYSA-N 0 0 434.561 4.582 50 0 IJAARN COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1OC ZINC000008590926 556188984 /nfs/dbraw/zinc/18/89/84/556188984.db2.gz ADPUTCZLQJJHFX-QGZVFWFLSA-N 0 0 431.467 4.774 50 0 IJAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)Nc2cccc(F)c2)cc1 ZINC000008594085 556189697 /nfs/dbraw/zinc/18/96/97/556189697.db2.gz SSXHWYJQGJGVHA-XMMPIXPASA-N 0 0 443.478 4.510 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000008603416 556190969 /nfs/dbraw/zinc/19/09/69/556190969.db2.gz DTPOOKKZVMRNLJ-JOCHJYFZSA-N 0 0 435.524 4.584 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000008613917 556192276 /nfs/dbraw/zinc/19/22/76/556192276.db2.gz KWYIRIDJNLUGTO-GOSISDBHSA-N 0 0 431.536 4.614 50 0 IJAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1nnc(C2CC2)s1 ZINC000008636666 556194401 /nfs/dbraw/zinc/19/44/01/556194401.db2.gz NEZDNQINCCDIBF-UHFFFAOYSA-N 0 0 439.971 4.524 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)OCCSC[C@H]1COc2ccccc2O1 ZINC000008648485 556196209 /nfs/dbraw/zinc/19/62/09/556196209.db2.gz KGNKQMMBYJKXGU-OAHLLOKOSA-N 0 0 429.416 4.707 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2cccc(Br)c2)NC(=O)c2ccco2)cc1 ZINC000008666473 556197886 /nfs/dbraw/zinc/19/78/86/556197886.db2.gz RZBXAPYKOIFDEK-QGOAFFKASA-N 0 0 425.282 4.760 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O ZINC000008738099 556205126 /nfs/dbraw/zinc/20/51/26/556205126.db2.gz LZRAJLUVLCIBIN-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(Br)c1 ZINC000008756321 556211065 /nfs/dbraw/zinc/21/10/65/556211065.db2.gz IZCRYARQMJXYSN-UHFFFAOYSA-N 0 0 443.297 4.929 50 0 IJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000008813839 556216744 /nfs/dbraw/zinc/21/67/44/556216744.db2.gz QBOCKUGDIWABHE-UHFFFAOYSA-N 0 0 431.543 4.577 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 ZINC000008827392 556224527 /nfs/dbraw/zinc/22/45/27/556224527.db2.gz DCJJTFMJVAZLOX-GOSISDBHSA-N 0 0 437.908 4.919 50 0 IJAARN CC(C)(C)NC(=O)c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1 ZINC000008861270 556228306 /nfs/dbraw/zinc/22/83/06/556228306.db2.gz MJYPPRVDUYAKOI-UHFFFAOYSA-N 0 0 427.551 4.843 50 0 IJAARN O=C(CSc1nc2ccccc2c2nc(-c3cccnc3)nn21)c1ccc(Cl)cc1 ZINC000008991671 556239221 /nfs/dbraw/zinc/23/92/21/556239221.db2.gz IAQRGJGGHGKHBF-UHFFFAOYSA-N 0 0 431.908 4.968 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1 ZINC000008997096 556239891 /nfs/dbraw/zinc/23/98/91/556239891.db2.gz LKOPWBWKERQGNV-UHFFFAOYSA-N 0 0 436.558 4.861 50 0 IJAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4cnccn4)s3)c3ccccc3n2)cc1 ZINC000009184348 556250234 /nfs/dbraw/zinc/25/02/34/556250234.db2.gz RPZYKRYJQXNMAL-UHFFFAOYSA-N 0 0 437.488 4.534 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189589 556252320 /nfs/dbraw/zinc/25/23/20/556252320.db2.gz OJQQLLHDBPBLRA-SFHVURJKSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009197987 556256239 /nfs/dbraw/zinc/25/62/39/556256239.db2.gz VDZSVGNDWJADFI-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000009225084 556258976 /nfs/dbraw/zinc/25/89/76/556258976.db2.gz ALHXHDVJACYATH-UHFFFAOYSA-N 0 0 440.253 4.777 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225795 556259867 /nfs/dbraw/zinc/25/98/67/556259867.db2.gz OIBQYEIPOAAFID-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1 ZINC000009226319 556260068 /nfs/dbraw/zinc/26/00/68/556260068.db2.gz RPHYPOCFCLRVKP-UHFFFAOYSA-N 0 0 430.895 4.627 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239570 556265785 /nfs/dbraw/zinc/26/57/85/556265785.db2.gz GPTOUUGGXLORFC-QZTJIDSGSA-N 0 0 447.486 4.647 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239636 556266408 /nfs/dbraw/zinc/26/64/08/556266408.db2.gz DOYDBBGNGXANEV-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Br)C2=O)cc1C ZINC000009259452 556267705 /nfs/dbraw/zinc/26/77/05/556267705.db2.gz CNSOLZSCHJBZKP-LICLKQGHSA-N 0 0 445.338 4.741 50 0 IJAARN CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000009260915 556268639 /nfs/dbraw/zinc/26/86/39/556268639.db2.gz GFIMLZRVJLRYTD-BXUJETTOSA-N 0 0 428.485 4.678 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009262635 556269484 /nfs/dbraw/zinc/26/94/84/556269484.db2.gz CGKKZSDBWBUJNT-UHFFFAOYSA-N 0 0 426.473 4.590 50 0 IJAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)sc2c1 ZINC000009291681 556274299 /nfs/dbraw/zinc/27/42/99/556274299.db2.gz KPIJDFSSSFWGNN-MRXNPFEDSA-N 0 0 433.982 4.693 50 0 IJAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013687703 556277417 /nfs/dbraw/zinc/27/74/17/556277417.db2.gz SYMPMVRZNKEHJJ-HNNXBMFYSA-N 0 0 435.259 4.638 50 0 IJAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)cs2)cc1OC ZINC000013690175 556279372 /nfs/dbraw/zinc/27/93/72/556279372.db2.gz FTYLGQDUYKKKED-HNNXBMFYSA-N 0 0 435.549 4.599 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1[C@H](C)Oc1ccccc1 ZINC000009329017 556282382 /nfs/dbraw/zinc/28/23/82/556282382.db2.gz QEXWUJJEVANQTF-ZFWWWQNUSA-N 0 0 431.587 4.631 50 0 IJAARN CCOc1cc(/C=C\C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Cl)c1OC ZINC000097674515 556288731 /nfs/dbraw/zinc/28/87/31/556288731.db2.gz UHVCPRHASTXZOH-KTKRTIGZSA-N 0 0 428.960 4.726 50 0 IJAARN COc1ccc(CCc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1OC ZINC000013724015 556291896 /nfs/dbraw/zinc/29/18/96/556291896.db2.gz NASGUSRNMRXMHA-UHFFFAOYSA-N 0 0 435.336 4.962 50 0 IJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(OC)c1 ZINC000009478618 556293547 /nfs/dbraw/zinc/29/35/47/556293547.db2.gz LOQOIAQTIIJGBN-UHFFFAOYSA-N 0 0 430.961 4.975 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000009559842 556298552 /nfs/dbraw/zinc/29/85/52/556298552.db2.gz ZAMPAJVCRKPREQ-QGZVFWFLSA-N 0 0 433.504 4.712 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013750534 556299021 /nfs/dbraw/zinc/29/90/21/556299021.db2.gz ONZFYUUHYUIROT-GOSISDBHSA-N 0 0 431.941 4.533 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000013751771 556299408 /nfs/dbraw/zinc/29/94/08/556299408.db2.gz DPTHTPSWCWBCJF-UHFFFAOYSA-N 0 0 433.537 4.836 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000013752097 556299420 /nfs/dbraw/zinc/29/94/20/556299420.db2.gz HCFMZKDVSNJRFB-KRWDZBQOSA-N 0 0 431.941 4.533 50 0 IJAARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2cccc(OC)c2)C1=O ZINC000013756065 556300390 /nfs/dbraw/zinc/30/03/90/556300390.db2.gz BZDOPVHKSJSWAP-XLNRJJMWSA-N 0 0 437.499 4.692 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000013786596 556309163 /nfs/dbraw/zinc/30/91/63/556309163.db2.gz SOBHCIWKRNGJGB-BWKNWUBXSA-N 0 0 444.487 4.733 50 0 IJAARN COc1cccc([C@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1 ZINC000032752691 556313386 /nfs/dbraw/zinc/31/33/86/556313386.db2.gz QLESXQWJASOROW-JOCHJYFZSA-N 0 0 436.581 4.855 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000009846539 556313396 /nfs/dbraw/zinc/31/33/96/556313396.db2.gz IFDSZIDHQWGNEF-QFIPXVFZSA-N 0 0 437.540 4.606 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 ZINC000009892411 556315624 /nfs/dbraw/zinc/31/56/24/556315624.db2.gz ODJAFHIRCJAQJP-HSZRJFAPSA-N 0 0 449.551 4.892 50 0 IJAARN Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3cccs3)cc2C1=O ZINC000013856609 556321047 /nfs/dbraw/zinc/32/10/47/556321047.db2.gz XDTNHBQJHLCCOY-UHFFFAOYSA-N 0 0 439.876 4.550 50 0 IJAARN CCCCOC(=O)[C@H](CCCC)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013857928 556321798 /nfs/dbraw/zinc/32/17/98/556321798.db2.gz OQPAMSKMUVBUBD-MQEXIPMMSA-N 0 0 445.559 4.781 50 0 IJAARN COc1ccc(Oc2cc(NC(=O)c3nc(SC)ncc3Cl)ccc2OC)cc1 ZINC000032753497 556322919 /nfs/dbraw/zinc/32/29/19/556322919.db2.gz DUTVJYIMFDCZCJ-UHFFFAOYSA-N 0 0 431.901 4.914 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000010058921 556323830 /nfs/dbraw/zinc/32/38/30/556323830.db2.gz WDLAMTOGPGTAIY-HSZRJFAPSA-N 0 0 432.545 4.631 50 0 IJAARN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000013895604 556328889 /nfs/dbraw/zinc/32/88/89/556328889.db2.gz OEUZGMSIHJNLJT-UHFFFAOYSA-N 0 0 448.519 4.809 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000013914385 556332236 /nfs/dbraw/zinc/33/22/36/556332236.db2.gz BKXYZMFZUZUDJL-NRFANRHFSA-N 0 0 444.915 4.509 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000013936388 556336284 /nfs/dbraw/zinc/33/62/84/556336284.db2.gz IZPABDLETCNAEF-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000013936373 556336364 /nfs/dbraw/zinc/33/63/64/556336364.db2.gz CSGMNGYUHJHLHU-UHFFFAOYSA-N 0 0 441.578 4.867 50 0 IJAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)CCCc3ccccc3)s2)CC1=O ZINC000013944473 556341682 /nfs/dbraw/zinc/34/16/82/556341682.db2.gz YRDDZIDHKXNREG-LJQANCHMSA-N 0 0 434.565 4.582 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1Cl ZINC000011664050 556344808 /nfs/dbraw/zinc/34/48/08/556344808.db2.gz KSGLVRJMXPOYNE-MRXNPFEDSA-N 0 0 426.948 4.856 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccn2)c(F)c1 ZINC000011664946 556345781 /nfs/dbraw/zinc/34/57/81/556345781.db2.gz VMQONZQWQLRDBW-RUZDIDTESA-N 0 0 447.535 4.977 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011666742 556346147 /nfs/dbraw/zinc/34/61/47/556346147.db2.gz LOHRFQNQEMZTSE-RUZDIDTESA-N 0 0 436.471 4.716 50 0 IJAARN CSc1ccc(C[C@]2(CCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)CCC(=O)N2)cc1 ZINC000011783488 556351814 /nfs/dbraw/zinc/35/18/14/556351814.db2.gz YDONSPGXORCKAN-CJFMBICVSA-N 0 0 440.584 4.535 50 0 IJAARN Cc1cc(C)n2ncc(C(=O)N(C)Cc3ccc(-c4ccc(Br)cc4)o3)c2n1 ZINC000032795568 556357853 /nfs/dbraw/zinc/35/78/53/556357853.db2.gz FIIRSMFDUWXWSC-UHFFFAOYSA-N 0 0 439.313 4.641 50 0 IJAARN COc1ccc(C(=O)CCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)cc1 ZINC000011821338 556362875 /nfs/dbraw/zinc/36/28/75/556362875.db2.gz FPRHQROPSCAWOB-MHZLTWQESA-N 0 0 439.515 4.709 50 0 IJAARN O=C(CCC1CC[NH+](Cc2cccn2-c2ncccn2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000011838456 556363360 /nfs/dbraw/zinc/36/33/60/556363360.db2.gz OPPWEDYAGIUNOB-UHFFFAOYSA-N 0 0 441.938 4.691 50 0 IJAARN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000011839165 556363867 /nfs/dbraw/zinc/36/38/67/556363867.db2.gz LNLYKGNKPBMBOW-FQEVSTJZSA-N 0 0 437.495 4.780 50 0 IJAARN CCOC(=O)c1c(C)n(CC)c(C)c1-c1csc(CC(=O)Nc2cccc(C)c2)n1 ZINC000014103225 556368210 /nfs/dbraw/zinc/36/82/10/556368210.db2.gz LEWOFSLCHSTNTH-UHFFFAOYSA-N 0 0 425.554 4.915 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000014128833 556373818 /nfs/dbraw/zinc/37/38/18/556373818.db2.gz FGNPZYATZPBJFV-CYBMUJFWSA-N 0 0 441.563 4.658 50 0 IJAARN COc1ccc(CN2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)cc1OC ZINC000011908829 556374381 /nfs/dbraw/zinc/37/43/81/556374381.db2.gz HOYRANAPKXARTD-XMMPIXPASA-N 0 0 433.548 4.765 50 0 IJAARN COCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000014129478 556374438 /nfs/dbraw/zinc/37/44/38/556374438.db2.gz OPBOLRFDJIDOGJ-UHFFFAOYSA-N 0 0 443.400 4.612 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000011913707 556376157 /nfs/dbraw/zinc/37/61/57/556376157.db2.gz VTIMUBGNIHPXIR-JTSKRJEESA-N 0 0 435.545 4.856 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)c4cccc(N5CCCC5=O)c4)c(=O)c23)s1 ZINC000014182928 556383098 /nfs/dbraw/zinc/38/30/98/556383098.db2.gz LBYSGHAQSRIDNY-UHFFFAOYSA-N 0 0 449.557 4.505 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c12 ZINC000014184260 556384540 /nfs/dbraw/zinc/38/45/40/556384540.db2.gz YPTRFLPNDVJTLT-UHFFFAOYSA-N 0 0 441.556 4.749 50 0 IJAARN CN(c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000014186396 556386459 /nfs/dbraw/zinc/38/64/59/556386459.db2.gz PLENXFPRXMJPEV-UHFFFAOYSA-N 0 0 448.588 4.607 50 0 IJAARN CCN(C(C)=O)[C@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccc(F)c(F)c1 ZINC000014187978 556386712 /nfs/dbraw/zinc/38/67/12/556386712.db2.gz DXKWUSOWZYCSCY-SFHVURJKSA-N 0 0 425.273 4.584 50 0 IJAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ccc2ccccc2c1 ZINC000014199029 556389919 /nfs/dbraw/zinc/38/99/19/556389919.db2.gz YPHOCNZZQWJRMN-UHFFFAOYSA-N 0 0 437.952 4.871 50 0 IJAARN Cn1cc(CN2CCC[C@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053023 556392817 /nfs/dbraw/zinc/39/28/17/556392817.db2.gz DCQJHLKIVPUIMA-IBGZPJMESA-N 0 0 432.549 4.805 50 0 IJAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000012054304 556393404 /nfs/dbraw/zinc/39/34/04/556393404.db2.gz AZHNMEUXHPDWIS-UHFFFAOYSA-N 0 0 434.989 4.690 50 0 IJAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cccc5ccccc54)CC3)n2)cc1 ZINC000032809964 556395205 /nfs/dbraw/zinc/39/52/05/556395205.db2.gz PBJAYTMQOUMHMN-LJQANCHMSA-N 0 0 426.520 4.717 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012075764 556397486 /nfs/dbraw/zinc/39/74/86/556397486.db2.gz VLWZFNKVNVREEZ-QFIPXVFZSA-N 0 0 445.563 4.883 50 0 IJAARN Cc1csc(N(C(=O)CSc2nnc(Cc3cccs3)n2C)c2ccccc2)n1 ZINC000014235030 556399206 /nfs/dbraw/zinc/39/92/06/556399206.db2.gz ZYNUGYGMYGBAGG-UHFFFAOYSA-N 0 0 441.607 4.689 50 0 IJAARN COc1ccc(-c2nn(CN3C[C@@H](C)O[C@@H](C)C3)c(=S)n2C2CCCCC2)cc1OC ZINC000014242256 556402850 /nfs/dbraw/zinc/40/28/50/556402850.db2.gz KHTRIMRYJIGPBW-CALCHBBNSA-N 0 0 446.617 4.670 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c(F)c1 ZINC000032581146 556404782 /nfs/dbraw/zinc/40/47/82/556404782.db2.gz KRZGEXIGQRPDTN-QHCPKHFHSA-N 0 0 442.494 4.643 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)ccc4C)cc3)n2)cc1 ZINC000032578515 556405205 /nfs/dbraw/zinc/40/52/05/556405205.db2.gz JCVUGFJRRGQGCP-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN CCOc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000032578639 556405289 /nfs/dbraw/zinc/40/52/89/556405289.db2.gz CTOAUDNQEXYUAM-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578554 556405295 /nfs/dbraw/zinc/40/52/95/556405295.db2.gz MVFUUWBBWSNWPQ-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4c(F)cccc4F)cc3)n2)cc1 ZINC000032578878 556405757 /nfs/dbraw/zinc/40/57/57/556405757.db2.gz CLWGDARKBBTGKK-UHFFFAOYSA-N 0 0 437.402 4.708 50 0 IJAARN CCOc1cc(CN(C(=O)c2ccc(N3CCCC3=O)cc2)C2CC2)ccc1OC(F)F ZINC000014246264 556406029 /nfs/dbraw/zinc/40/60/29/556406029.db2.gz KHKBFEDGZGWIBA-UHFFFAOYSA-N 0 0 444.478 4.618 50 0 IJAARN O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1csc(-c2ccncc2)n1 ZINC000064667412 556406705 /nfs/dbraw/zinc/40/67/05/556406705.db2.gz ZFFPUDKVCSFERR-UHFFFAOYSA-N 0 0 426.973 4.501 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229923375 556408879 /nfs/dbraw/zinc/40/88/79/556408879.db2.gz SMQPALBQOAGWGP-RBZQAINGSA-N 0 0 428.488 4.527 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000014251783 556409258 /nfs/dbraw/zinc/40/92/58/556409258.db2.gz XOXBNMLQHXVNLA-KRWDZBQOSA-N 0 0 429.954 4.829 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1OC ZINC000032622327 556409703 /nfs/dbraw/zinc/40/97/03/556409703.db2.gz GJYPDJNOWRYBRB-QFIPXVFZSA-N 0 0 449.551 4.624 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)NCCc3cc(Cl)c4c(c3)OCCO4)o2)cc1 ZINC000014254024 556410088 /nfs/dbraw/zinc/41/00/88/556410088.db2.gz CDSPADVMKSMRLX-UHFFFAOYSA-N 0 0 425.868 4.546 50 0 IJAARN Oc1ccccc1N1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000032819316 556411911 /nfs/dbraw/zinc/41/19/11/556411911.db2.gz PEIVOVGOMQNQNP-UHFFFAOYSA-N 0 0 432.955 4.766 50 0 IJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000032642893 556412277 /nfs/dbraw/zinc/41/22/77/556412277.db2.gz MMWAPRKNSFNBGS-UHFFFAOYSA-N 0 0 438.959 4.712 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219344534 556412436 /nfs/dbraw/zinc/41/24/36/556412436.db2.gz XQLLRELQZCYPBY-KRWDZBQOSA-N 0 0 448.354 4.596 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c12 ZINC000032648575 556413461 /nfs/dbraw/zinc/41/34/61/556413461.db2.gz DMVPSKNWLCTJBK-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN C[C@@H](c1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(Cl)cc1)N(C)C ZINC000032668413 556418204 /nfs/dbraw/zinc/41/82/04/556418204.db2.gz MUYHMBCSJXABQT-LBPRGKRZSA-N 0 0 446.989 4.947 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SCc1ccsc1 ZINC000012973023 556419380 /nfs/dbraw/zinc/41/93/80/556419380.db2.gz PIKWDNRFGYFWJC-UHFFFAOYSA-N 0 0 438.618 4.803 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cc2)n1 ZINC000014498794 556419800 /nfs/dbraw/zinc/41/98/00/556419800.db2.gz GTJHVTVFWGZNFO-HXUWFJFHSA-N 0 0 432.549 4.925 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000012983747 556425609 /nfs/dbraw/zinc/42/56/09/556425609.db2.gz CQQHGULEWUOAQN-UHFFFAOYSA-N 0 0 437.418 4.679 50 0 IJAARN CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)Cc1nc2ccccc2s1 ZINC000012983451 556425652 /nfs/dbraw/zinc/42/56/52/556425652.db2.gz WHFMHLLKSXASDT-UHFFFAOYSA-N 0 0 436.606 4.744 50 0 IJAARN Cc1ccc([C@@H](NC(=O)CSc2nc3sccc3c(N)n2)c2cccs2)cc1 ZINC000032841113 556426768 /nfs/dbraw/zinc/42/67/68/556426768.db2.gz MHDKLWBURFCAPU-QGZVFWFLSA-N 0 0 426.592 4.641 50 0 IJAARN Nc1nc(CSc2ncnc3c2cnn3-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000032842569 556427771 /nfs/dbraw/zinc/42/77/71/556427771.db2.gz ZIQHONIVSLOBGZ-UHFFFAOYSA-N 0 0 445.577 4.574 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000032843212 556428423 /nfs/dbraw/zinc/42/84/23/556428423.db2.gz XGEANBOHUDHHNO-UHFFFAOYSA-N 0 0 443.521 4.536 50 0 IJAARN Cc1nc2cc(NC(=O)COc3ccc(Br)cc3Br)ccc2o1 ZINC000012994805 556430276 /nfs/dbraw/zinc/43/02/76/556430276.db2.gz LSRXGUHWGUKONA-UHFFFAOYSA-N 0 0 440.091 4.679 50 0 IJAARN CS(=O)(=O)c1ccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000032855982 556433356 /nfs/dbraw/zinc/43/33/56/556433356.db2.gz GKSOJVIJUYDPFN-UHFFFAOYSA-N 0 0 439.577 4.575 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)CC(C)C)c2)N2CCCSC2=N1 ZINC000004406493 556434426 /nfs/dbraw/zinc/43/44/26/556434426.db2.gz YJLHZWFBWHGZAZ-NRFANRHFSA-N 0 0 429.586 4.746 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2ccccc2c1 ZINC000013005542 556434872 /nfs/dbraw/zinc/43/48/72/556434872.db2.gz HCIZVZADGBWZPX-UHFFFAOYSA-N 0 0 436.455 4.508 50 0 IJAARN Cc1cc(C)c(C)c2[nH]c(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc21 ZINC000013011678 556435999 /nfs/dbraw/zinc/43/59/99/556435999.db2.gz QPLXAAGWUJVDIB-UHFFFAOYSA-N 0 0 432.520 4.599 50 0 IJAARN C[C@H](c1nnc(SCCCC(=O)c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000032691321 556439905 /nfs/dbraw/zinc/43/99/05/556439905.db2.gz ANBONTRYBWMROQ-OAHLLOKOSA-N 0 0 430.524 4.923 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000013028161 556441260 /nfs/dbraw/zinc/44/12/60/556441260.db2.gz MZLBVLMQYIEVAK-GOSISDBHSA-N 0 0 438.572 4.872 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)cc1 ZINC000032957352 556441631 /nfs/dbraw/zinc/44/16/31/556441631.db2.gz ZHLYQXDRALXIRS-MRXNPFEDSA-N 0 0 439.537 4.713 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1CCCc2ccccc21 ZINC000032957382 556441685 /nfs/dbraw/zinc/44/16/85/556441685.db2.gz FTLOAIMEQVXTOD-NSHDSACASA-N 0 0 440.878 4.862 50 0 IJAARN CCCCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 ZINC000013041431 556447519 /nfs/dbraw/zinc/44/75/19/556447519.db2.gz IKYCDIWDJBFZOL-UHFFFAOYSA-N 0 0 443.594 4.655 50 0 IJAARN CC(C)c1ccc([C@@H](C)NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000013041267 556447559 /nfs/dbraw/zinc/44/75/59/556447559.db2.gz AZQPNVAPHSZKCR-OAHLLOKOSA-N 0 0 436.383 4.865 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc2ccccc2c1 ZINC000013057240 556449076 /nfs/dbraw/zinc/44/90/76/556449076.db2.gz HHPFAKMHISKDDK-UHFFFAOYSA-N 0 0 435.911 4.547 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)CSc2nc(-c3ccco3)nc3ccccc32)s1 ZINC000032868693 556449186 /nfs/dbraw/zinc/44/91/86/556449186.db2.gz DEUAXKVLXDYMQG-UHFFFAOYSA-N 0 0 437.546 4.605 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291637 556450117 /nfs/dbraw/zinc/45/01/17/556450117.db2.gz HVGSIGXYJOVXIY-JOCHJYFZSA-N 0 0 438.543 4.981 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)c23)cc1C ZINC000032958198 556454682 /nfs/dbraw/zinc/45/46/82/556454682.db2.gz CPAXZGNNULMWBK-UHFFFAOYSA-N 0 0 429.545 4.869 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000013074413 556455049 /nfs/dbraw/zinc/45/50/49/556455049.db2.gz CAIUNENJMBSHFP-INIZCTEOSA-N 0 0 442.712 4.910 50 0 IJAARN CN(C(=O)COc1cc2ccccc2cc1C(=O)NCc1ccccc1)C1CCCCC1 ZINC000013075314 556455318 /nfs/dbraw/zinc/45/53/18/556455318.db2.gz JQYLUGKKPNAPJI-UHFFFAOYSA-N 0 0 430.548 4.940 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013075381 556455345 /nfs/dbraw/zinc/45/53/45/556455345.db2.gz SXBYIUSWTGRARF-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN COc1ccc(CCC(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1F ZINC000072275304 556456046 /nfs/dbraw/zinc/45/60/46/556456046.db2.gz SASSWYJOAHPOCN-UHFFFAOYSA-N 0 0 448.538 4.745 50 0 IJAARN O=C(NCc1cnn(-c2ccccc2)c1)c1ccccc1SCc1cn2ccccc2n1 ZINC000028507180 556456440 /nfs/dbraw/zinc/45/64/40/556456440.db2.gz KIXBLZMRMKSPGK-UHFFFAOYSA-N 0 0 439.544 4.742 50 0 IJAARN COc1cc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000032958523 556456714 /nfs/dbraw/zinc/45/67/14/556456714.db2.gz KGRKJLKFJYPBMO-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(Cl)c1OC(C)C ZINC000013096191 556456879 /nfs/dbraw/zinc/45/68/79/556456879.db2.gz VWVFEGPTWHNMCP-UHFFFAOYSA-N 0 0 437.367 4.747 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000013098093 556458814 /nfs/dbraw/zinc/45/88/14/556458814.db2.gz NSHIUNLISZBBCZ-MRXNPFEDSA-N 0 0 443.956 4.888 50 0 IJAARN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1nc(-c2cccnc2)cs1)C1CCCCC1 ZINC000072277787 556459912 /nfs/dbraw/zinc/45/99/12/556459912.db2.gz CMYTUOJXBBQDGZ-QGZVFWFLSA-N 0 0 445.589 4.800 50 0 IJAARN CSc1nnc(CN(C)Cc2ccc(-c3ccccc3Cl)o2)n1C[C@H]1CCCO1 ZINC000014957431 556462814 /nfs/dbraw/zinc/46/28/14/556462814.db2.gz WWYCVDXNCGHMBS-OAHLLOKOSA-N 0 0 432.977 4.724 50 0 IJAARN CC(C)Cn1c(CNC(=O)c2cccc(F)c2)nnc1SCc1ccccc1Cl ZINC000014960246 556463870 /nfs/dbraw/zinc/46/38/70/556463870.db2.gz OZFFRXGXGGVCLG-UHFFFAOYSA-N 0 0 432.952 4.949 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(=O)c1cccc(F)c1)Nc1c(F)c(F)cc(F)c1F ZINC000032959178 556465296 /nfs/dbraw/zinc/46/52/96/556465296.db2.gz IHYQOBPWGKWMLM-UHFFFAOYSA-N 0 0 445.347 4.602 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1cnc(CN2CCCC2)s1 ZINC000014969176 556466405 /nfs/dbraw/zinc/46/64/05/556466405.db2.gz CYURLUQYYWVDCR-LJQANCHMSA-N 0 0 449.624 4.677 50 0 IJAARN Cc1ccsc1[C@H]1c2c(=O)[nH]c(SCC(C)C)nc2NC(C)=C1C(=O)OC(C)C ZINC000013114389 556466761 /nfs/dbraw/zinc/46/67/61/556466761.db2.gz ADAIECLUWRUAQV-OAHLLOKOSA-N 0 0 433.599 4.671 50 0 IJAARN CCOc1cc2c(cc1NC(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1)O[C@H](C)C2 ZINC000029129465 556467779 /nfs/dbraw/zinc/46/77/79/556467779.db2.gz KFWPAEGFCODWRT-OAHLLOKOSA-N 0 0 438.553 4.667 50 0 IJAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013117498 556470144 /nfs/dbraw/zinc/47/01/44/556470144.db2.gz NMVZXJQFXXTTRO-UHFFFAOYSA-N 0 0 443.956 4.532 50 0 IJAARN Cc1nc(CNCc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)cs1 ZINC000014982589 556471644 /nfs/dbraw/zinc/47/16/44/556471644.db2.gz HXURHXCWMWTWNM-UHFFFAOYSA-N 0 0 437.496 4.736 50 0 IJAARN CCCn1c(=O)c2c3c(sc2nc1SCCC(=O)Nc1ccccc1F)CCC3 ZINC000032871030 556471897 /nfs/dbraw/zinc/47/18/97/556471897.db2.gz RELGHBHYVWDYPI-UHFFFAOYSA-N 0 0 431.558 4.617 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c2ccccc2S1 ZINC000013120143 556471965 /nfs/dbraw/zinc/47/19/65/556471965.db2.gz FKCSQKAFHHLHCJ-HNNXBMFYSA-N 0 0 437.594 4.685 50 0 IJAARN O=C(CSc1nnc(NC2CC2)s1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000029450244 556475734 /nfs/dbraw/zinc/47/57/34/556475734.db2.gz QVEBYKSTCFRXFM-MRXNPFEDSA-N 0 0 434.637 4.502 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1 ZINC000013128147 556477467 /nfs/dbraw/zinc/47/74/67/556477467.db2.gz GFVAKOMMEMHCHN-QGZVFWFLSA-N 0 0 437.521 4.599 50 0 IJAARN Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]4CN(C(=O)c5ccc(F)cc5)CC[C@@H]43)c2c1 ZINC000014995375 556477621 /nfs/dbraw/zinc/47/76/21/556477621.db2.gz WQQJSYKQMYQZII-NLFFAJNJSA-N 0 0 445.538 4.758 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000013129482 556479207 /nfs/dbraw/zinc/47/92/07/556479207.db2.gz HYBKSHPCWFXPPI-QHCPKHFHSA-N 0 0 434.536 4.646 50 0 IJAARN CCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)cc2C1=O ZINC000013129505 556479234 /nfs/dbraw/zinc/47/92/34/556479234.db2.gz JIMHQURZSOXGGQ-UHFFFAOYSA-N 0 0 444.516 4.940 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n2)no1 ZINC000013141016 556486044 /nfs/dbraw/zinc/48/60/44/556486044.db2.gz AJDRDWDOTCQFGQ-UHFFFAOYSA-N 0 0 431.521 4.850 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C ZINC000015018978 556487601 /nfs/dbraw/zinc/48/76/01/556487601.db2.gz NKWDUFPMNNLVSP-UHFFFAOYSA-N 0 0 428.901 4.621 50 0 IJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccc(Cl)cc1Cl ZINC000013148467 556490015 /nfs/dbraw/zinc/49/00/15/556490015.db2.gz QJHKPQODAXIJMD-UHFFFAOYSA-N 0 0 441.314 4.868 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCc3c(C)nc(SC)nc3C)sc2C)cc1 ZINC000013148904 556490275 /nfs/dbraw/zinc/49/02/75/556490275.db2.gz IPIOYXMQIOOWEA-UHFFFAOYSA-N 0 0 428.583 4.827 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000013149078 556490647 /nfs/dbraw/zinc/49/06/47/556490647.db2.gz VPHUYCMXVQLLLX-UHFFFAOYSA-N 0 0 444.578 4.891 50 0 IJAARN CSc1ncc(CN2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000015068568 556494236 /nfs/dbraw/zinc/49/42/36/556494236.db2.gz NJCJZONLOMGLHJ-LJQANCHMSA-N 0 0 432.593 4.508 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000013164535 556496753 /nfs/dbraw/zinc/49/67/53/556496753.db2.gz JOQNDEBHUKIZMD-IBGZPJMESA-N 0 0 444.491 4.808 50 0 IJAARN CCCn1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c(C)n1 ZINC000015073942 556498144 /nfs/dbraw/zinc/49/81/44/556498144.db2.gz LJZTWGUFBHESBC-HSZRJFAPSA-N 0 0 433.556 4.782 50 0 IJAARN O=C(Cc1cccnc1)N1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000015074205 556498173 /nfs/dbraw/zinc/49/81/73/556498173.db2.gz AIINENTXHPCTMJ-UHFFFAOYSA-N 0 0 433.939 4.822 50 0 IJAARN Cc1ccc(OCCN(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)cc1 ZINC000015075067 556498837 /nfs/dbraw/zinc/49/88/37/556498837.db2.gz HISQHDKPLFWORY-UHFFFAOYSA-N 0 0 440.613 4.621 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000030621945 556500102 /nfs/dbraw/zinc/50/01/02/556500102.db2.gz VQRCWCPLERFJQL-HSZRJFAPSA-N 0 0 441.531 4.561 50 0 IJAARN CC(=O)N[C@H](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000032879143 556502926 /nfs/dbraw/zinc/50/29/26/556502926.db2.gz XNAGFGIJHNSGIW-NFBKMPQASA-N 0 0 431.561 4.745 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000013548614 556514620 /nfs/dbraw/zinc/51/46/20/556514620.db2.gz SFKBXQJNPAPIKF-JUKMUDQWSA-N 0 0 427.328 4.752 50 0 IJAARN Cc1nc(CSc2ccc(C(=O)OCc3nc4c(C)cccc4c(=O)[nH]3)cc2)cs1 ZINC000032893841 556521522 /nfs/dbraw/zinc/52/15/22/556521522.db2.gz KINGALGPCZGRMB-UHFFFAOYSA-N 0 0 437.546 4.646 50 0 IJAARN CC(=O)Oc1ccc(C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1 ZINC000013570275 556521979 /nfs/dbraw/zinc/52/19/79/556521979.db2.gz IGEDNXGUIKHBDD-UHFFFAOYSA-N 0 0 429.501 4.896 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(C(C)C)cc3)C2=O)c1 ZINC000015413264 556526030 /nfs/dbraw/zinc/52/60/30/556526030.db2.gz FXMRAIRVRVORSK-AREMUKBSSA-N 0 0 444.531 4.948 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000013576469 556526255 /nfs/dbraw/zinc/52/62/55/556526255.db2.gz JOKROAQISFSOKN-NSHDSACASA-N 0 0 449.878 4.684 50 0 IJAARN CCOc1cc(C(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)ccc1OC(F)F ZINC000013576360 556526262 /nfs/dbraw/zinc/52/62/62/556526262.db2.gz LKPUWDNCHWABIH-CQSZACIVSA-N 0 0 433.451 4.608 50 0 IJAARN COC(=O)c1ccc(CCNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC000032900751 556530055 /nfs/dbraw/zinc/53/00/55/556530055.db2.gz JGGAEJJTKYPMQO-UHFFFAOYSA-N 0 0 446.528 4.879 50 0 IJAARN O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1cnc2ccccc2n1 ZINC000032900696 556530123 /nfs/dbraw/zinc/53/01/23/556530123.db2.gz NHGXTAVLAAUGCH-UHFFFAOYSA-N 0 0 428.620 4.899 50 0 IJAARN Cc1ccc(F)cc1NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000032899983 556531984 /nfs/dbraw/zinc/53/19/84/556531984.db2.gz BLRZHHDKRGHOCJ-OAQYLSRUSA-N 0 0 446.931 4.836 50 0 IJAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013598579 556532631 /nfs/dbraw/zinc/53/26/31/556532631.db2.gz BDLOFNBNMNAGLG-VJBWXMMDSA-N 0 0 448.906 4.708 50 0 IJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000032902365 556535961 /nfs/dbraw/zinc/53/59/61/556535961.db2.gz UVEBXGYMPQSVNE-GJYPPUQNSA-N 0 0 428.495 4.580 50 0 IJAARN C[C@@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2NC1=O ZINC000015640580 556539988 /nfs/dbraw/zinc/53/99/88/556539988.db2.gz BOOWARFYUHIFBC-NSHDSACASA-N 0 0 432.427 4.576 50 0 IJAARN O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1ccccc1F ZINC000015684599 556543109 /nfs/dbraw/zinc/54/31/09/556543109.db2.gz JSNOBFPYWUKOSM-HKWRFOASSA-N 0 0 445.332 4.762 50 0 IJAARN CC1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000015685012 556543380 /nfs/dbraw/zinc/54/33/80/556543380.db2.gz YTTCDFFXRKVILT-UHFFFAOYSA-N 0 0 448.588 4.954 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1 ZINC000032721560 556546926 /nfs/dbraw/zinc/54/69/26/556546926.db2.gz SFUQUWYOZJLZJJ-CQSZACIVSA-N 0 0 433.480 4.556 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@H](c3cccc(Oc4ccccc4)c3)NC2=O)c1 ZINC000032721832 556547418 /nfs/dbraw/zinc/54/74/18/556547418.db2.gz GVNRNJSRAZKVHN-HSZRJFAPSA-N 0 0 443.503 4.717 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000015768211 556549593 /nfs/dbraw/zinc/54/95/93/556549593.db2.gz MWTSJZWLVACGLR-CJLVFECKSA-N 0 0 448.906 4.926 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)c(C)c1 ZINC000015777195 556550466 /nfs/dbraw/zinc/55/04/66/556550466.db2.gz WHJHJNXAPQKBQS-MRXNPFEDSA-N 0 0 448.778 4.855 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997841 556551959 /nfs/dbraw/zinc/55/19/59/556551959.db2.gz RWUVLOVUZKMNEH-IBGZPJMESA-N 0 0 430.892 4.887 50 0 IJAARN COc1ccc2cc(C(=O)Nc3ccc(OC)c(NC(=O)c4ccccc4C)c3)[nH]c2c1 ZINC000032998378 556552558 /nfs/dbraw/zinc/55/25/58/556552558.db2.gz WEPDYIIJNWLBLZ-UHFFFAOYSA-N 0 0 429.476 4.998 50 0 IJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000033086815 556554094 /nfs/dbraw/zinc/55/40/94/556554094.db2.gz HHYFHCGYSNYBCT-MRXNPFEDSA-N 0 0 430.302 4.940 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000015827743 556554230 /nfs/dbraw/zinc/55/42/30/556554230.db2.gz QOEMWMQXERHBKV-LJQANCHMSA-N 0 0 446.341 4.793 50 0 IJAARN CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000033115172 556554644 /nfs/dbraw/zinc/55/46/44/556554644.db2.gz WYNMDHVGUIIUPX-FQEVSTJZSA-N 0 0 444.579 4.554 50 0 IJAARN COc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000015835487 556555261 /nfs/dbraw/zinc/55/52/61/556555261.db2.gz WJIBGQGZUDPSIU-SANMLTNESA-N 0 0 430.504 4.812 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c(C)c1 ZINC000033115553 556555485 /nfs/dbraw/zinc/55/54/85/556555485.db2.gz LLFRBVFPFOIKDH-UHFFFAOYSA-N 0 0 426.582 4.585 50 0 IJAARN Cc1noc([C@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)n1 ZINC000032905971 556556966 /nfs/dbraw/zinc/55/69/66/556556966.db2.gz ZFFALLUGSBRJNF-NSHDSACASA-N 0 0 446.330 4.894 50 0 IJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5C)c4ncn3n2)cc1OC ZINC000015842319 556557019 /nfs/dbraw/zinc/55/70/19/556557019.db2.gz SPHUVBCWAAVPFY-UHFFFAOYSA-N 0 0 427.508 4.986 50 0 IJAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000033269906 556557887 /nfs/dbraw/zinc/55/78/87/556557887.db2.gz FGKSVAKNIJDSCM-GOSISDBHSA-N 0 0 437.450 4.916 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1 ZINC000015859650 556558220 /nfs/dbraw/zinc/55/82/20/556558220.db2.gz CJPAWSBOMQPPPV-DEOSSOPVSA-N 0 0 433.552 4.577 50 0 IJAARN CN(c1cc(C(F)(F)F)nc(-c2ccncc2)n1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072307686 556562349 /nfs/dbraw/zinc/56/23/49/556562349.db2.gz MRUJKEGUGQYEBJ-HXUWFJFHSA-N 0 0 442.420 4.656 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)c(Cl)c1 ZINC000015905810 556562542 /nfs/dbraw/zinc/56/25/42/556562542.db2.gz CSCGHZIEOXMCQK-UHFFFAOYSA-N 0 0 425.739 4.721 50 0 IJAARN C[C@@H]1CN(C(=O)c2c(F)cccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F ZINC000072307990 556563727 /nfs/dbraw/zinc/56/37/27/556563727.db2.gz VDTUAHHMIQCMEZ-CYBMUJFWSA-N 0 0 428.385 4.939 50 0 IJAARN Cc1cc(NC(=O)CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)no1 ZINC000015927690 556564932 /nfs/dbraw/zinc/56/49/32/556564932.db2.gz APFCVDCMWGMUQT-UHFFFAOYSA-N 0 0 439.581 4.761 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000015981456 556570888 /nfs/dbraw/zinc/57/08/88/556570888.db2.gz QOFRJFYRVAOCNS-ZOCZFRKYSA-N 0 0 427.928 4.669 50 0 IJAARN COc1cc(C(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc(OC)c1OC ZINC000032960842 556571026 /nfs/dbraw/zinc/57/10/26/556571026.db2.gz IKUPBUWIXQBMSJ-UHFFFAOYSA-N 0 0 445.519 4.637 50 0 IJAARN NC(=O)c1ccccc1Oc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000072309384 556571083 /nfs/dbraw/zinc/57/10/83/556571083.db2.gz AQVJXTINXDEJBX-UHFFFAOYSA-N 0 0 430.382 4.614 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000071326439 556572178 /nfs/dbraw/zinc/57/21/78/556572178.db2.gz LNEYRTHXILUYCH-UHFFFAOYSA-N 0 0 441.988 4.823 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(C)c3)n2CCOC)c1C ZINC000004580582 556574512 /nfs/dbraw/zinc/57/45/12/556574512.db2.gz HDAJYJYGGSEQFL-UHFFFAOYSA-N 0 0 426.586 4.703 50 0 IJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000072309870 556577527 /nfs/dbraw/zinc/57/75/27/556577527.db2.gz UNBJLCGNFYZGSO-SIKLNZKXSA-N 0 0 443.975 4.846 50 0 IJAARN C[C@@H](NC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000016044612 556578966 /nfs/dbraw/zinc/57/89/66/556578966.db2.gz RKJUXNZPYIWGLJ-KDURUIRLSA-N 0 0 442.515 4.554 50 0 IJAARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC)cc2)C(=O)NCc2ccco2)cc1 ZINC000016114952 556583545 /nfs/dbraw/zinc/58/35/45/556583545.db2.gz PNONFJUFFVKXAF-JJIBRWJFSA-N 0 0 448.519 4.554 50 0 IJAARN C[C@H]1CCCCN1C(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920623 556586517 /nfs/dbraw/zinc/58/65/17/556586517.db2.gz WHCXCARKAJMGDH-LPHOPBHVSA-N 0 0 438.490 4.608 50 0 IJAARN CN(Cc1ccco1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F ZINC000034921956 556586553 /nfs/dbraw/zinc/58/65/53/556586553.db2.gz LILWPKMBKFPYLY-UHFFFAOYSA-N 0 0 446.438 4.620 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2F)cc1 ZINC000016309745 556599087 /nfs/dbraw/zinc/59/90/87/556599087.db2.gz NLYPINNAZVDMMP-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016310301 556599304 /nfs/dbraw/zinc/59/93/04/556599304.db2.gz VFWMAHDZWYWTIC-HXUWFJFHSA-N 0 0 439.924 4.766 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccco2)cc1 ZINC000016319917 556600153 /nfs/dbraw/zinc/60/01/53/556600153.db2.gz XQZHSJZDYGJFEJ-XMHGGMMESA-N 0 0 438.867 4.519 50 0 IJAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC)[C@@H](c1ccc(F)cc1)c1cccn1-2 ZINC000032977736 556600660 /nfs/dbraw/zinc/60/06/60/556600660.db2.gz NIKSCCNWQPNQFU-QHCPKHFHSA-N 0 0 429.499 4.609 50 0 IJAARN CCOC(=O)c1sc(NC(=S)N2c3ccccc3C[C@H]2C)c(C(=O)OCC)c1C ZINC000016346708 556601536 /nfs/dbraw/zinc/60/15/36/556601536.db2.gz STWHNILLLBIMFJ-GFCCVEGCSA-N 0 0 432.567 4.558 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)CCc1ccccc1 ZINC000037356042 556601868 /nfs/dbraw/zinc/60/18/68/556601868.db2.gz WMPLCDVJGOMKJH-SFHVURJKSA-N 0 0 436.943 4.592 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000032996042 556611257 /nfs/dbraw/zinc/61/12/57/556611257.db2.gz NWHLLDMOIVPJPA-NFBKMPQASA-N 0 0 443.572 4.782 50 0 IJAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)n2)ccc1C ZINC000016647903 556619959 /nfs/dbraw/zinc/61/99/59/556619959.db2.gz LUAHUBQQQRHAHA-LJQANCHMSA-N 0 0 446.551 4.692 50 0 IJAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000033677556 556621013 /nfs/dbraw/zinc/62/10/13/556621013.db2.gz VAEATWHJYROZSY-MFOYZWKCSA-N 0 0 438.427 4.829 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)cc1 ZINC000032998816 556626474 /nfs/dbraw/zinc/62/64/74/556626474.db2.gz CBXMHKYPDZOISA-UHFFFAOYSA-N 0 0 445.519 4.761 50 0 IJAARN CC(C)COc1ccc(-c2nc3s/c(=C\c4cccc5ccccc45)c(=O)n3n2)cc1 ZINC000016728996 556631012 /nfs/dbraw/zinc/63/10/12/556631012.db2.gz KXKRZILAKOJLSI-HMAPJEAMSA-N 0 0 427.529 4.554 50 0 IJAARN CCCN(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)c1ccccc1F ZINC000033759356 556631621 /nfs/dbraw/zinc/63/16/21/556631621.db2.gz OCTBXGNRQZWMKN-UHFFFAOYSA-N 0 0 446.935 4.879 50 0 IJAARN CCCCOc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000005081757 556632007 /nfs/dbraw/zinc/63/20/07/556632007.db2.gz IDLUCZLAOAOQDF-JOCHJYFZSA-N 0 0 427.566 4.946 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1CCc1ccccc1 ZINC000016736096 556633308 /nfs/dbraw/zinc/63/33/08/556633308.db2.gz IAXICQCEKLXTLD-QFIPXVFZSA-N 0 0 431.875 4.940 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000097938704 556634942 /nfs/dbraw/zinc/63/49/42/556634942.db2.gz AIMCNJWPSAATIB-LJQANCHMSA-N 0 0 431.471 4.725 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000097938699 556634950 /nfs/dbraw/zinc/63/49/50/556634950.db2.gz UUUGYHALSMEAPF-IBGZPJMESA-N 0 0 443.507 4.594 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000097938700 556634997 /nfs/dbraw/zinc/63/49/97/556634997.db2.gz WJGHFXLVYWQISR-FQEVSTJZSA-N 0 0 427.508 4.894 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016742268 556636033 /nfs/dbraw/zinc/63/60/33/556636033.db2.gz WJRHZVJVBKYLOZ-HSZRJFAPSA-N 0 0 429.447 4.729 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016742267 556636072 /nfs/dbraw/zinc/63/60/72/556636072.db2.gz WJRHZVJVBKYLOZ-QHCPKHFHSA-N 0 0 429.447 4.729 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccc(OC)cc2)oc1NCc1ccc(OC)cc1 ZINC000016750234 556637080 /nfs/dbraw/zinc/63/70/80/556637080.db2.gz SLWVZZJYYRVJMT-UHFFFAOYSA-N 0 0 446.440 4.862 50 0 IJAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016751045 556637374 /nfs/dbraw/zinc/63/73/74/556637374.db2.gz XLELDZGTMODBOK-GBXCKJPGSA-N 0 0 447.531 4.942 50 0 IJAARN COc1cc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1O ZINC000409413535 556640774 /nfs/dbraw/zinc/64/07/74/556640774.db2.gz FXEOMKAHKWUARM-JOCHJYFZSA-N 0 0 431.492 4.786 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1CO ZINC000409415452 556641915 /nfs/dbraw/zinc/64/19/15/556641915.db2.gz JKBFPLPWBBSCFA-HXUWFJFHSA-N 0 0 430.479 4.804 50 0 biogenic IJAARN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)c(C)c12 ZINC000011712032 556643523 /nfs/dbraw/zinc/64/35/23/556643523.db2.gz UKHYIJHRJGTJLO-HSZRJFAPSA-N 0 0 436.556 4.933 50 0 IJAARN Cc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4ccccc4Cl)c3n2)cc1 ZINC000040485245 556644057 /nfs/dbraw/zinc/64/40/57/556644057.db2.gz BCOFFDIXUKCBER-UHFFFAOYSA-N 0 0 442.906 4.917 50 0 IJAARN CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC(C)C)o3)cc2[C@H]1c1ccc(C)cc1 ZINC000037604791 556645511 /nfs/dbraw/zinc/64/55/11/556645511.db2.gz XUIZLURRFQODLK-AREMUKBSSA-N 0 0 446.547 4.799 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1Cl ZINC000016841439 556646110 /nfs/dbraw/zinc/64/61/10/556646110.db2.gz ZAMUEENYHPKKFV-UHFFFAOYSA-N 0 0 442.903 4.928 50 0 IJAARN Cc1ccc2cc(CCNC(=O)c3cc(Br)ccc3Cl)c(=O)[nH]c2c1C ZINC000011726476 556646906 /nfs/dbraw/zinc/64/69/06/556646906.db2.gz NQNRREBLKHFRHP-UHFFFAOYSA-N 0 0 433.733 4.533 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000016953546 556650117 /nfs/dbraw/zinc/65/01/17/556650117.db2.gz UWEOEIRDWKYLDL-QHCPKHFHSA-N 0 0 448.544 4.913 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cc(OC)ccc3nc21 ZINC000016955753 556650337 /nfs/dbraw/zinc/65/03/37/556650337.db2.gz UAYAUSRENVBXIX-UHFFFAOYSA-N 0 0 434.496 4.663 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000011757743 556651825 /nfs/dbraw/zinc/65/18/25/556651825.db2.gz MDFDKSWNOOHLMP-UHFFFAOYSA-N 0 0 433.249 4.806 50 0 IJAARN CCc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O ZINC000032999214 556652673 /nfs/dbraw/zinc/65/26/73/556652673.db2.gz VTTJHTVXMSSILJ-UHFFFAOYSA-N 0 0 432.499 4.534 50 0 IJAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000033000068 556654001 /nfs/dbraw/zinc/65/40/01/556654001.db2.gz BAVJMFQZVYQDTG-UHFFFAOYSA-N 0 0 426.476 4.950 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C)s1 ZINC000033007725 556656474 /nfs/dbraw/zinc/65/64/74/556656474.db2.gz RKFWLSSHRDRQSV-UHFFFAOYSA-N 0 0 431.583 4.953 50 0 IJAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2s1 ZINC000033008035 556656898 /nfs/dbraw/zinc/65/68/98/556656898.db2.gz BCRQWKOEZCLBGA-UHFFFAOYSA-N 0 0 434.905 4.959 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Nc2cc3sc(NC(=O)CC)nc3c(C)c2)cc1 ZINC000033008296 556657195 /nfs/dbraw/zinc/65/71/95/556657195.db2.gz CNBKTIREQWJEBO-UHFFFAOYSA-N 0 0 426.498 4.774 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cnn(CC)c1 ZINC000017096102 556659745 /nfs/dbraw/zinc/65/97/45/556659745.db2.gz QKLJRNYVZBRIEV-UHFFFAOYSA-N 0 0 428.583 4.637 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1cn(CC)nc1C ZINC000017096110 556659772 /nfs/dbraw/zinc/65/97/72/556659772.db2.gz ZDGHWELURQWSLD-UHFFFAOYSA-N 0 0 428.583 4.603 50 0 IJAARN CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017096141 556659947 /nfs/dbraw/zinc/65/99/47/556659947.db2.gz XCODBBORNLWWNE-UHFFFAOYSA-N 0 0 428.642 4.788 50 0 IJAARN CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000017097297 556661444 /nfs/dbraw/zinc/66/14/44/556661444.db2.gz JEJJOQZNBBUOKE-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCc1noc(-c2cccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)n1 ZINC000033012494 556661483 /nfs/dbraw/zinc/66/14/83/556661483.db2.gz OEWFTUICYPKBNF-UHFFFAOYSA-N 0 0 425.794 4.989 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2OC)c1 ZINC000033013160 556662621 /nfs/dbraw/zinc/66/26/21/556662621.db2.gz RYFIGXAKARDUSQ-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc2c1 ZINC000017124914 556668860 /nfs/dbraw/zinc/66/88/60/556668860.db2.gz QWMIYMLPAVGWDH-UHFFFAOYSA-N 0 0 446.561 4.976 50 0 IJAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)NCc1ccccc1Cl ZINC000017177694 556671738 /nfs/dbraw/zinc/67/17/38/556671738.db2.gz ZJDPQWMZQHIICH-HXUWFJFHSA-N 0 0 426.925 4.820 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197859 556672897 /nfs/dbraw/zinc/67/28/97/556672897.db2.gz GECYBCMROHAYJI-YEJXKQKISA-N 0 0 448.375 4.958 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000032933133 556676341 /nfs/dbraw/zinc/67/63/41/556676341.db2.gz VCVQAQRQDPEQLB-UHFFFAOYSA-N 0 0 444.510 4.981 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000032934819 556677557 /nfs/dbraw/zinc/67/75/57/556677557.db2.gz XRMNYOOAVJDOHE-UHFFFAOYSA-N 0 0 432.185 4.684 50 0 IJAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000017857758 556679859 /nfs/dbraw/zinc/67/98/59/556679859.db2.gz VBSHYQKXYIZILX-PJTSNVSCSA-N 0 0 449.506 4.808 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCc1ccc(Cl)cc1 ZINC000033325977 556680476 /nfs/dbraw/zinc/68/04/76/556680476.db2.gz XQNUDYWMFKJXEH-SFHVURJKSA-N 0 0 427.957 4.710 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018101002 556683905 /nfs/dbraw/zinc/68/39/05/556683905.db2.gz DXFAMYRPYYQBOG-UPRAQXHNSA-N 0 0 441.325 4.627 50 0 IJAARN COc1cc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc(OC)c1OC ZINC000033021883 556686598 /nfs/dbraw/zinc/68/65/98/556686598.db2.gz HFINMPAXPYMACV-UHFFFAOYSA-N 0 0 436.493 4.512 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000018206982 556686945 /nfs/dbraw/zinc/68/69/45/556686945.db2.gz JSAZXLHCIXZYIC-VXKWHMMOSA-N 0 0 445.563 4.917 50 0 IJAARN O=C(COC(=O)c1cccc2cnccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000072312553 556687396 /nfs/dbraw/zinc/68/73/96/556687396.db2.gz PMEGOVVXEBFRMJ-LJQANCHMSA-N 0 0 447.541 4.893 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018247197 556688272 /nfs/dbraw/zinc/68/82/72/556688272.db2.gz YTCLHUBKKIDIGF-ZNZDAUKMSA-N 0 0 442.309 4.594 50 0 IJAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018276934 556689013 /nfs/dbraw/zinc/68/90/13/556689013.db2.gz VDGHBABJLAMNGG-GTNJKRJXSA-N 0 0 444.575 4.683 50 0 IJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000136262911 556689094 /nfs/dbraw/zinc/68/90/94/556689094.db2.gz FLZQMQNJFHDFPB-BHDDXSALSA-N 0 0 436.870 4.526 50 0 IJAARN COc1cccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3nc2OC)c1 ZINC000046006727 556690580 /nfs/dbraw/zinc/69/05/80/556690580.db2.gz CJLJXHNEWSTHNQ-UHFFFAOYSA-N 0 0 448.498 4.765 50 0 IJAARN COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1O ZINC000001198495 556692548 /nfs/dbraw/zinc/69/25/48/556692548.db2.gz KZMXZLLPDVNSFW-OQLLNIDSSA-N 0 0 436.352 4.565 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000046141319 556692684 /nfs/dbraw/zinc/69/26/84/556692684.db2.gz MWNLQSCFUFOFDP-GFCCVEGCSA-N 0 0 437.974 4.990 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)c1 ZINC000033025412 556700762 /nfs/dbraw/zinc/70/07/62/556700762.db2.gz KQQFVYNJGTYGLL-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)c2)cc1C ZINC000033028421 556708923 /nfs/dbraw/zinc/70/89/23/556708923.db2.gz UDMRZZFRBRBKNU-QGZVFWFLSA-N 0 0 442.512 4.649 50 0 IJAARN Cc1n[nH]c2c1[C@@H](c1cccc(Br)c1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013692564 556712013 /nfs/dbraw/zinc/71/20/13/556712013.db2.gz GOVUYAKLWQMLRK-OAQYLSRUSA-N 0 0 435.325 4.750 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@@H](OCc2cccnc2)C1 ZINC000019223082 556716169 /nfs/dbraw/zinc/71/61/69/556716169.db2.gz DRUYIXXZSAQABU-QGZVFWFLSA-N 0 0 441.915 4.608 50 0 IJAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000019228686 556717816 /nfs/dbraw/zinc/71/78/16/556717816.db2.gz CFPLWTHOHFZBCK-DEOSSOPVSA-N 0 0 431.536 4.581 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc12 ZINC000033037409 556722809 /nfs/dbraw/zinc/72/28/09/556722809.db2.gz RVSADRFBORBYCQ-MRXNPFEDSA-N 0 0 441.516 4.966 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)[nH]n1 ZINC000072331267 556730158 /nfs/dbraw/zinc/73/01/58/556730158.db2.gz PDXSIKMVTLBLGT-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 ZINC000055073778 556734053 /nfs/dbraw/zinc/73/40/53/556734053.db2.gz ZUHDYWSQTJMHTL-FQEVSTJZSA-N 0 0 448.592 4.725 50 0 IJAARN CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)no1 ZINC000078933758 556737023 /nfs/dbraw/zinc/73/70/23/556737023.db2.gz KTSFHOCXBYZGHY-UHFFFAOYSA-N 0 0 437.500 4.916 50 0 IJAARN O=C(CSCc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)N1CCCCC1 ZINC000033047572 556743204 /nfs/dbraw/zinc/74/32/04/556743204.db2.gz PAWJPBNSHNGNFC-UHFFFAOYSA-N 0 0 433.986 4.551 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000057486607 556747727 /nfs/dbraw/zinc/74/77/27/556747727.db2.gz GWUJOTWIYRVRTG-UHFFFAOYSA-N 0 0 426.835 4.645 50 0 IJAARN O=C(N1CCC[C@H]1CS(=O)(=O)c1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096366828 556749155 /nfs/dbraw/zinc/74/91/55/556749155.db2.gz UOZDHGIIRBLNSV-FQEVSTJZSA-N 0 0 431.985 4.617 50 0 IJAARN Nc1nc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000072332324 556750708 /nfs/dbraw/zinc/75/07/08/556750708.db2.gz JTPDXVNECJISDQ-FQEVSTJZSA-N 0 0 443.894 4.560 50 0 IJAARN CCc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cs1 ZINC000057991918 556750896 /nfs/dbraw/zinc/75/08/96/556750896.db2.gz MQQOAYNYIUWUCL-IBGZPJMESA-N 0 0 434.609 4.517 50 0 IJAARN O=C(CCn1cncn1)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000058003712 556752154 /nfs/dbraw/zinc/75/21/54/556752154.db2.gz XSANNKRXINNFFS-QHCPKHFHSA-N 0 0 435.531 4.765 50 0 IJAARN C[C@H](c1ccco1)N(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000058004955 556752604 /nfs/dbraw/zinc/75/26/04/556752604.db2.gz QWKGNCXIVQFVJR-OAHLLOKOSA-N 0 0 428.485 4.585 50 0 IJAARN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000058158466 556763207 /nfs/dbraw/zinc/76/32/07/556763207.db2.gz JNJNLESTULZCHA-IBGZPJMESA-N 0 0 449.547 4.995 50 0 IJAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160615 556764561 /nfs/dbraw/zinc/76/45/61/556764561.db2.gz RELUVUUCVNJDQH-VWLOTQADSA-N 0 0 443.547 4.726 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)c2cc3cc(OC)ccc3nc2C)c2ccccc21 ZINC000058292278 556777747 /nfs/dbraw/zinc/77/77/47/556777747.db2.gz ZDFSZARWODGXDG-QQMNAOGKSA-N 0 0 445.563 4.989 50 0 IJAARN CC(C)COC(=O)N1CCCN(C(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000058304509 556778602 /nfs/dbraw/zinc/77/86/02/556778602.db2.gz NJXOCJFNSDUGPS-UHFFFAOYSA-N 0 0 433.496 4.673 50 0 IJAARN COc1cccc(OCc2nnc(SCCCSc3ccccc3Cl)n2N)c1 ZINC000058331955 556781632 /nfs/dbraw/zinc/78/16/32/556781632.db2.gz OTESADGJJXPMJY-UHFFFAOYSA-N 0 0 436.990 4.507 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N3CCCc4ccc(F)cc43)cc2)c(C)c1Br ZINC000058370830 556783749 /nfs/dbraw/zinc/78/37/49/556783749.db2.gz ZTWGDNARLXBCGH-UHFFFAOYSA-N 0 0 428.305 4.984 50 0 IJAARN CCCCOc1cccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c1 ZINC000059118309 556794819 /nfs/dbraw/zinc/79/48/19/556794819.db2.gz ZENKZGQVKWNBQV-UHFFFAOYSA-N 0 0 432.446 4.703 50 0 IJAARN CCc1cc(OC)cc(OC(C)=O)c1-c1nc(N)ncc1-c1ccc(Br)cc1 ZINC000001504529 556797484 /nfs/dbraw/zinc/79/74/84/556797484.db2.gz FRQWMGRKUPEGDK-UHFFFAOYSA-N 0 0 442.313 4.652 50 0 IJAARN COc1c(C)cnc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)c1C ZINC000033050396 556799423 /nfs/dbraw/zinc/79/94/23/556799423.db2.gz GQOPANVLKYZTPV-UHFFFAOYSA-N 0 0 446.576 4.860 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003216085 556805208 /nfs/dbraw/zinc/80/52/08/556805208.db2.gz YTRWOLSIJYABRD-GOSISDBHSA-N 0 0 449.934 4.865 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(Br)cc1 ZINC000003234903 556806287 /nfs/dbraw/zinc/80/62/87/556806287.db2.gz YIRFWXPRSLSSNZ-UHFFFAOYSA-N 0 0 439.335 4.914 50 0 IJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3OC(F)F)c2C1 ZINC000003283907 556808386 /nfs/dbraw/zinc/80/83/86/556808386.db2.gz CMLPLYNVNRLULJ-CQSZACIVSA-N 0 0 440.446 4.757 50 0 IJAARN C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003346237 556813372 /nfs/dbraw/zinc/81/33/72/556813372.db2.gz SAZHSGOLFPNEIB-BRADTZPFSA-N 0 0 444.459 4.995 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1cccc(Cl)c1 ZINC000003350094 556813566 /nfs/dbraw/zinc/81/35/66/556813566.db2.gz POYRWJLQWMWNHB-ZDUSSCGKSA-N 0 0 429.977 4.729 50 0 IJAARN Cc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)nc21 ZINC000003387255 556814060 /nfs/dbraw/zinc/81/40/60/556814060.db2.gz OOTLOZUFJCPEKN-UHFFFAOYSA-N 0 0 449.557 4.608 50 0 IJAARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000060382796 556816171 /nfs/dbraw/zinc/81/61/71/556816171.db2.gz DOPZULNMZVDIGK-CYBMUJFWSA-N 0 0 439.309 4.670 50 0 IJAARN O=C(Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1)Nc1ccccc1F ZINC000033068305 556821938 /nfs/dbraw/zinc/82/19/38/556821938.db2.gz WSUKKYZASMOSGG-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN CCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064800272 556827327 /nfs/dbraw/zinc/82/73/27/556827327.db2.gz LSKOHWUXPINCEB-UHFFFAOYSA-N 0 0 446.555 4.590 50 0 IJAARN CSc1nc2ccc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)cc2s1 ZINC000019597644 556831074 /nfs/dbraw/zinc/83/10/74/556831074.db2.gz MCCCPWAXYAVERS-UHFFFAOYSA-N 0 0 446.604 4.970 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(C)c(C)cc4C)cc32)c1 ZINC000065003047 556831217 /nfs/dbraw/zinc/83/12/17/556831217.db2.gz XEAMPRIQFOWNAT-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000065003629 556831749 /nfs/dbraw/zinc/83/17/49/556831749.db2.gz LSKZVKGMGFKLMG-IBGZPJMESA-N 0 0 448.588 4.880 50 0 IJAARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)n1CC ZINC000019630282 556832322 /nfs/dbraw/zinc/83/23/22/556832322.db2.gz NEGNLIRRBPDWLY-UHFFFAOYSA-N 0 0 439.566 4.704 50 0 IJAARN O=C(Nc1cnn(Cc2cccc3ccccc32)c1)c1ccn(COc2ccc(F)cc2)n1 ZINC000019633565 556833718 /nfs/dbraw/zinc/83/37/18/556833718.db2.gz DVHRFRTWYMHEJI-UHFFFAOYSA-N 0 0 441.466 4.709 50 0 IJAARN COc1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c(C)c1 ZINC000065363458 556835135 /nfs/dbraw/zinc/83/51/35/556835135.db2.gz CVRYSLITSSKRGS-UHFFFAOYSA-N 0 0 446.555 4.508 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000019639248 556836711 /nfs/dbraw/zinc/83/67/11/556836711.db2.gz JVCOLLWTARTTBW-LLVKDONJSA-N 0 0 443.832 4.522 50 0 IJAARN COc1cc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn32)cc(OC)c1OC ZINC000096602418 556838003 /nfs/dbraw/zinc/83/80/03/556838003.db2.gz XJPNISYWNYRTCV-RMKNXTFCSA-N 0 0 428.901 4.702 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3cccc(C)c3n2)cc1C ZINC000019643692 556838518 /nfs/dbraw/zinc/83/85/18/556838518.db2.gz RDUDMQGGHIBWHR-UHFFFAOYSA-N 0 0 445.544 4.727 50 0 IJAARN CC(C)N(C(=O)CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1)C(C)C ZINC000008725896 556843443 /nfs/dbraw/zinc/84/34/43/556843443.db2.gz TUUZGBLMZFMTGY-GOSISDBHSA-N 0 0 447.624 4.691 50 0 IJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C\C(=O)OCC(=O)OC(C)(C)C ZINC000096798004 556843973 /nfs/dbraw/zinc/84/39/73/556843973.db2.gz AMVJAETZERTDLJ-KTKRTIGZSA-N 0 0 439.339 4.753 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000008893097 556851083 /nfs/dbraw/zinc/85/10/83/556851083.db2.gz HSZGFMCDDKVWFU-UHFFFAOYSA-N 0 0 434.521 4.564 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)C2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000033071219 556851627 /nfs/dbraw/zinc/85/16/27/556851627.db2.gz AICDNRWJYOEGRT-UHFFFAOYSA-N 0 0 426.948 4.536 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106691 556859366 /nfs/dbraw/zinc/85/93/66/556859366.db2.gz DUSRSXNGUJPUBG-UHFFFAOYSA-N 0 0 430.939 4.700 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)Cc4ccccc4)ccc3s2)cc1 ZINC000033116486 556862043 /nfs/dbraw/zinc/86/20/43/556862043.db2.gz KYJFAGCJYXICLX-UHFFFAOYSA-N 0 0 437.546 4.799 50 0 IJAARN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126257 556866915 /nfs/dbraw/zinc/86/69/15/556866915.db2.gz QAVCUJXXKQRTDD-UHFFFAOYSA-N 0 0 436.943 4.764 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)c1 ZINC000033126490 556867330 /nfs/dbraw/zinc/86/73/30/556867330.db2.gz SJJAVEZHYKISFA-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)cc3c2CCCC3=O)cc1 ZINC000033126836 556867438 /nfs/dbraw/zinc/86/74/38/556867438.db2.gz IXIJQEUXNSBNKJ-UHFFFAOYSA-N 0 0 432.495 4.549 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129974 556869489 /nfs/dbraw/zinc/86/94/89/556869489.db2.gz AUAIFKXSGRDDNL-FQEVSTJZSA-N 0 0 448.588 4.938 50 0 IJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)nn2)cc1 ZINC000033130984 556871328 /nfs/dbraw/zinc/87/13/28/556871328.db2.gz FSUXRIJYLXEYBC-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139887 556874989 /nfs/dbraw/zinc/87/49/89/556874989.db2.gz TZVHYXUMCBYZOT-SFHVURJKSA-N 0 0 441.940 4.982 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000033141876 556877157 /nfs/dbraw/zinc/87/71/57/556877157.db2.gz YBOLXJSGNBWJJZ-HNNXBMFYSA-N 0 0 433.895 4.754 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000033141746 556878013 /nfs/dbraw/zinc/87/80/13/556878013.db2.gz LTMYHXRLOXSVDE-GOSISDBHSA-N 0 0 442.606 4.633 50 0 IJAARN O=C(Nc1ccc(F)cc1F)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168626 556880573 /nfs/dbraw/zinc/88/05/73/556880573.db2.gz JNFSEABWNVHHFS-UHFFFAOYSA-N 0 0 426.492 4.761 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1 ZINC000033173909 556883917 /nfs/dbraw/zinc/88/39/17/556883917.db2.gz HYZDDFRKQZLFMD-UHFFFAOYSA-N 0 0 448.523 4.619 50 0 IJAARN CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)cc1 ZINC000033251623 556892290 /nfs/dbraw/zinc/89/22/90/556892290.db2.gz JYVKQRJJVXHMGB-UHFFFAOYSA-N 0 0 446.326 4.639 50 0 IJAARN Cc1ccc(-c2noc(-c3cn(C)c4cc(N5CCC(C)CC5)c(F)cc4c3=O)n2)cc1 ZINC000033256002 556895341 /nfs/dbraw/zinc/89/53/41/556895341.db2.gz SERCHYUKGIMYMR-UHFFFAOYSA-N 0 0 432.499 4.939 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c(C)c1 ZINC000033258269 556895889 /nfs/dbraw/zinc/89/58/89/556895889.db2.gz JHRJCTOTLFGTOV-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033258424 556896163 /nfs/dbraw/zinc/89/61/63/556896163.db2.gz SCHYHXCTNLWQSY-UHFFFAOYSA-N 0 0 438.915 4.725 50 0 IJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4F)c(C)n3)cc2)no1 ZINC000033258548 556896167 /nfs/dbraw/zinc/89/61/67/556896167.db2.gz GHERASCRCVMANQ-UHFFFAOYSA-N 0 0 425.851 4.838 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)c1 ZINC000033261315 556896861 /nfs/dbraw/zinc/89/68/61/556896861.db2.gz FCPHEQZDRDOHLJ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000019789699 556914550 /nfs/dbraw/zinc/91/45/50/556914550.db2.gz PJHPHNKOJAGOGU-UHFFFAOYSA-N 0 0 428.598 4.636 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1Cc1ccco1 ZINC000019810706 556919181 /nfs/dbraw/zinc/91/91/81/556919181.db2.gz RPICRHPMWMWGML-UHFFFAOYSA-N 0 0 448.548 4.888 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cccnc2)cc1 ZINC000019823598 556925240 /nfs/dbraw/zinc/92/52/40/556925240.db2.gz PVKZWYBDMHDCJP-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000019835336 556928044 /nfs/dbraw/zinc/92/80/44/556928044.db2.gz KEZQSXBBLUTAGZ-UHFFFAOYSA-N 0 0 429.442 4.757 50 0 IJAARN O=C(c1nc2sccn2c1CN1CC[C@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838627 556928835 /nfs/dbraw/zinc/92/88/35/556928835.db2.gz SBRZOABCDOZADF-INIZCTEOSA-N 0 0 428.989 4.665 50 0 IJAARN Cc1nc(CN2CCN(C(=O)c3ccc(C(=O)c4c(C)cc(C)cc4C)cc3)CC2)cs1 ZINC000019848518 556930107 /nfs/dbraw/zinc/93/01/07/556930107.db2.gz NXSNVPONUVPVIC-UHFFFAOYSA-N 0 0 447.604 4.566 50 0 IJAARN Cc1cccc(-c2ccc(C(=O)NC[C@@H](C)c3ccccc3)c(N3CCC(O)CC3)n2)c1 ZINC000019885434 556938173 /nfs/dbraw/zinc/93/81/73/556938173.db2.gz GWGJENFBUXHUEX-HXUWFJFHSA-N 0 0 429.564 4.552 50 0 IJAARN Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000019898564 556941193 /nfs/dbraw/zinc/94/11/93/556941193.db2.gz LRAJZVWFDZARBM-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN CCN1c2ccccc2N(c2ccccc2)/C1=C\C=c1\sc2nc3ccccc3n2c1=O ZINC000019910461 556943150 /nfs/dbraw/zinc/94/31/50/556943150.db2.gz LURHHECSUNIPHR-ZNLNQYBNSA-N 0 0 436.540 4.928 50 0 IJAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4ccccc4F)C3=O)CC2)cc1Cl ZINC000019911710 556943367 /nfs/dbraw/zinc/94/33/67/556943367.db2.gz CROLNNNUSBQXDZ-UDWIEESQSA-N 0 0 445.947 4.604 50 0 IJAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4cccc5ccccc45)c(=O)n3n2)cc1 ZINC000019929011 556947124 /nfs/dbraw/zinc/94/71/24/556947124.db2.gz KXKRZILAKOJLSI-HYARGMPZSA-N 0 0 427.529 4.554 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1C ZINC000019942828 556953948 /nfs/dbraw/zinc/95/39/48/556953948.db2.gz TWKPVNOJGAWZCP-UHFFFAOYSA-N 0 0 434.605 4.708 50 0 IJAARN CN(Cc1ccccc1)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057425 556975067 /nfs/dbraw/zinc/97/50/67/556975067.db2.gz CPQYOTGHBFFKOD-UHFFFAOYSA-N 0 0 445.592 4.591 50 0 IJAARN COC(=O)C[C@H](N[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccc(C)cc1C ZINC000020058058 556975340 /nfs/dbraw/zinc/97/53/40/556975340.db2.gz ULHXJLRJVKEGRM-AZGAKELHSA-N 0 0 446.522 4.991 50 0 IJAARN C[C@@H](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl ZINC000073069242 556976354 /nfs/dbraw/zinc/97/63/54/556976354.db2.gz GKJCVYLDJWTWQU-CXLRFSCWSA-N 0 0 444.322 4.764 50 0 investigational IJAARN Cc1ccc(OCCNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000023028330 556977981 /nfs/dbraw/zinc/97/79/81/556977981.db2.gz ZJGCBGVNLOEDDQ-HSZRJFAPSA-N 0 0 436.939 4.705 50 0 IJAARN COc1cc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc(OC)c1OC ZINC000020101562 556980227 /nfs/dbraw/zinc/98/02/27/556980227.db2.gz FGXSOSCWYBTVFD-CQSZACIVSA-N 0 0 437.471 4.606 50 0 IJAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033267980 556982331 /nfs/dbraw/zinc/98/23/31/556982331.db2.gz JZIRLMUGFJADNH-UHFFFAOYSA-N 0 0 431.927 4.905 50 0 IJAARN COc1ccc(OC)c(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267850 556982352 /nfs/dbraw/zinc/98/23/52/556982352.db2.gz SOLXPFACWXZURL-HXUWFJFHSA-N 0 0 430.508 4.544 50 0 IJAARN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1nc2ccccc2s1 ZINC000023042181 556986092 /nfs/dbraw/zinc/98/60/92/556986092.db2.gz TYKLJWRUDSAZPL-UHFFFAOYSA-N 0 0 434.487 4.980 50 0 IJAARN CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000097104956 556987660 /nfs/dbraw/zinc/98/76/60/556987660.db2.gz ZCYBRXADZIRPAU-HSZRJFAPSA-N 0 0 439.968 4.946 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111874 556990295 /nfs/dbraw/zinc/99/02/95/556990295.db2.gz HVPHVZOHHKKMLQ-AWEZNQCLSA-N 0 0 425.851 4.963 50 0 IJAARN O=C(Nc1cccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1)c1cccs1 ZINC000023069731 556993601 /nfs/dbraw/zinc/99/36/01/556993601.db2.gz ZCCGLKLTPHVTCN-UHFFFAOYSA-N 0 0 429.881 4.877 50 0 IJAARN Cc1oc(-c2ccccc2)nc1COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000023077606 556995949 /nfs/dbraw/zinc/99/59/49/556995949.db2.gz CSPNRXUHMJFHAE-HXUWFJFHSA-N 0 0 426.900 4.801 50 0 IJAARN CCc1ccc2oc(=O)cc(CN3CCN(Cc4nc(-c5ccccc5)oc4C)CC3)c2c1 ZINC000020213219 556999002 /nfs/dbraw/zinc/99/90/02/556999002.db2.gz LBZVYHBDXOQBTK-UHFFFAOYSA-N 0 0 443.547 4.637 50 0 IJAARN COc1ccc(CC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020248363 557003487 /nfs/dbraw/zinc/00/34/87/557003487.db2.gz XOZUSLXTUSMNAX-JOCHJYFZSA-N 0 0 433.895 4.847 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC[C@@H]2C)c2ccccc23)cc1 ZINC000020355978 557010080 /nfs/dbraw/zinc/01/00/80/557010080.db2.gz VSDLBBGLFPGCSD-KRWDZBQOSA-N 0 0 449.580 4.613 50 0 IJAARN Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccc(F)c(F)c2)n1 ZINC000023126887 557011630 /nfs/dbraw/zinc/01/16/30/557011630.db2.gz XBMCBWIDAISOED-UHFFFAOYSA-N 0 0 447.488 4.877 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)cc1 ZINC000045971289 557014330 /nfs/dbraw/zinc/01/43/30/557014330.db2.gz PWDIDAIMSIJKFV-UHFFFAOYSA-N 0 0 442.548 4.646 50 0 IJAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421514 557015184 /nfs/dbraw/zinc/01/51/84/557015184.db2.gz XTKZPBDFNZYMSX-UHFFFAOYSA-N 0 0 439.481 4.956 50 0 IJAARN CCN(Cc1ccccc1)C(=O)COc1cc(C)c2c(C)nn(-c3ccc(C)cc3)c2n1 ZINC000045990910 557016686 /nfs/dbraw/zinc/01/66/86/557016686.db2.gz QBUAFGGJZUEKFI-UHFFFAOYSA-N 0 0 428.536 4.773 50 0 IJAARN CCc1cc(OCC(=O)Nc2ccccc2OC)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016970 557020174 /nfs/dbraw/zinc/02/01/74/557020174.db2.gz GRPHBVDWRLZKOH-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN Cc1cc(OCC(=O)Nc2cccnc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016596 557022914 /nfs/dbraw/zinc/02/29/14/557022914.db2.gz GOZCYYVSIPBRAP-UHFFFAOYSA-N 0 0 435.487 4.808 50 0 IJAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1OC ZINC000046022924 557022954 /nfs/dbraw/zinc/02/29/54/557022954.db2.gz KEOWZKJDNTZUEF-UHFFFAOYSA-N 0 0 435.915 4.618 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc(C)c12 ZINC000046016787 557023226 /nfs/dbraw/zinc/02/32/26/557023226.db2.gz BMUZMVJNHHNUDS-IBGZPJMESA-N 0 0 428.536 4.554 50 0 IJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000010748904 557023971 /nfs/dbraw/zinc/02/39/71/557023971.db2.gz YRITUNHWUNTHQV-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045317 557025486 /nfs/dbraw/zinc/02/54/86/557025486.db2.gz HINBAYJEXRHHCK-QFIPXVFZSA-N 0 0 432.589 4.659 50 0 IJAARN Cc1sc2nc([C@H](C)Sc3nnc(NCCc4ccccc4)s3)[nH]c(=O)c2c1C ZINC000010776762 557025601 /nfs/dbraw/zinc/02/56/01/557025601.db2.gz UMSDAGANPFYLHO-ZDUSSCGKSA-N 0 0 443.623 4.961 50 0 IJAARN COc1cccc(C(=O)N(CCn2cccn2)c2nc3c(cccc3Cl)s2)c1OC ZINC000023144753 557026504 /nfs/dbraw/zinc/02/65/04/557026504.db2.gz JOYOELDRFJXKJO-UHFFFAOYSA-N 0 0 442.928 4.510 50 0 IJAARN CCN(CC)C(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000046073680 557030201 /nfs/dbraw/zinc/03/02/01/557030201.db2.gz KMCGHJGDTOCHDN-UHFFFAOYSA-N 0 0 446.594 4.607 50 0 IJAARN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000023157273 557030169 /nfs/dbraw/zinc/03/01/69/557030169.db2.gz XFNUNEWCEAKEMS-JOCHJYFZSA-N 0 0 448.592 4.858 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000098032888 557032687 /nfs/dbraw/zinc/03/26/87/557032687.db2.gz VYEDIERIQFBDRL-WJDWOHSUSA-N 0 0 425.532 4.609 50 0 IJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)c3ccccc3)cc1C(=O)N2 ZINC000046077564 557033239 /nfs/dbraw/zinc/03/32/39/557033239.db2.gz ZSUALGJULBGMGI-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc3ccccc3c2)n1 ZINC000046086014 557035836 /nfs/dbraw/zinc/03/58/36/557035836.db2.gz BFXLJHDGMDAHNC-UHFFFAOYSA-N 0 0 442.972 4.934 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)s2)cc1 ZINC000046122958 557036563 /nfs/dbraw/zinc/03/65/63/557036563.db2.gz FZRQSWZBYXWEDV-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN C[C@H]1c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc3c2N(CCC3)C1=O ZINC000017247572 557042070 /nfs/dbraw/zinc/04/20/70/557042070.db2.gz YVGNZLRLTDYINE-JTQLQIEISA-N 0 0 444.862 4.556 50 0 IJAARN COc1ccc(Oc2nc(F)c(Cl)c3c2N(C2CCCCC2)CCS3(=O)=O)cc1 ZINC000024614245 557045336 /nfs/dbraw/zinc/04/53/36/557045336.db2.gz MGTLFPMCWIVXLA-UHFFFAOYSA-N 0 0 440.924 4.601 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000033270691 557047341 /nfs/dbraw/zinc/04/73/41/557047341.db2.gz GVVLZWOPHSNAPV-UHFFFAOYSA-N 0 0 444.900 4.736 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000017269414 557048133 /nfs/dbraw/zinc/04/81/33/557048133.db2.gz AQUBGYLTNRLHPB-KRWDZBQOSA-N 0 0 446.576 4.750 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1 ZINC000033271009 557048666 /nfs/dbraw/zinc/04/86/66/557048666.db2.gz TWBLXDABBLLSTL-UHFFFAOYSA-N 0 0 445.907 4.910 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)nc3n2)cc1 ZINC000033271803 557050073 /nfs/dbraw/zinc/05/00/73/557050073.db2.gz FSMJVDYCHFFXHA-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000048250810 557051865 /nfs/dbraw/zinc/05/18/65/557051865.db2.gz KXPBFOFGZYGQOQ-UHFFFAOYSA-N 0 0 426.822 4.624 50 0 IJAARN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1N1CCc2ccccc2C1 ZINC000033273874 557053163 /nfs/dbraw/zinc/05/31/63/557053163.db2.gz RNBAXTDCWPXASM-UHFFFAOYSA-N 0 0 449.963 4.820 50 0 IJAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)NCc1ccccc1Cl ZINC000033275309 557054030 /nfs/dbraw/zinc/05/40/30/557054030.db2.gz JSGBKDZGESJNKP-UHFFFAOYSA-N 0 0 447.926 5.000 50 0 IJAARN COc1ccc([C@H](NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)C2CC2)cc1 ZINC000048289134 557054411 /nfs/dbraw/zinc/05/44/11/557054411.db2.gz USRQNOMSGFRUPW-XMMPIXPASA-N 0 0 426.520 4.833 50 0 IJAARN Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000048290130 557055013 /nfs/dbraw/zinc/05/50/13/557055013.db2.gz OOPAFWLXWUJUFM-UHFFFAOYSA-N 0 0 425.455 4.580 50 0 IJAARN O=C(Nc1cc(Cl)cc2cccnc21)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022994175 557056345 /nfs/dbraw/zinc/05/63/45/557056345.db2.gz YPIPSXUHURUTAS-UHFFFAOYSA-N 0 0 426.881 4.707 50 0 IJAARN CCNc1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)s1 ZINC000023054887 557060522 /nfs/dbraw/zinc/06/05/22/557060522.db2.gz KFONJEHWPMCHLH-MRXNPFEDSA-N 0 0 428.608 4.942 50 0 IJAARN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048299390 557061691 /nfs/dbraw/zinc/06/16/91/557061691.db2.gz BASHCRZOUCZRRZ-NRFANRHFSA-N 0 0 448.567 4.977 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(Br)cc1 ZINC000048300477 557062387 /nfs/dbraw/zinc/06/23/87/557062387.db2.gz KXENFTBSIOYLRA-UHFFFAOYSA-N 0 0 442.357 4.679 50 0 IJAARN Cc1ccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000032949157 557064019 /nfs/dbraw/zinc/06/40/19/557064019.db2.gz BKXYWXXAHVUHFY-UHFFFAOYSA-N 0 0 446.503 4.736 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364535 557065087 /nfs/dbraw/zinc/06/50/87/557065087.db2.gz OFCKUMUSHYJKRT-HNNXBMFYSA-N 0 0 427.273 4.747 50 0 IJAARN CCOc1ccccc1CNC(=O)C1CCN(c2nccnc2Oc2cccc(C)c2)CC1 ZINC000033288296 557065469 /nfs/dbraw/zinc/06/54/69/557065469.db2.gz COCHBKLJZZDRJK-UHFFFAOYSA-N 0 0 446.551 4.509 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)cc1 ZINC000033288264 557065572 /nfs/dbraw/zinc/06/55/72/557065572.db2.gz HSSGAEDCUYPPRT-UHFFFAOYSA-N 0 0 430.552 4.673 50 0 IJAARN O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033288580 557065821 /nfs/dbraw/zinc/06/58/21/557065821.db2.gz UTTUYAQUAKBABM-HNNXBMFYSA-N 0 0 426.492 4.761 50 0 IJAARN O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033288578 557065844 /nfs/dbraw/zinc/06/58/44/557065844.db2.gz UTTUYAQUAKBABM-OAHLLOKOSA-N 0 0 426.492 4.761 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288900 557066532 /nfs/dbraw/zinc/06/65/32/557066532.db2.gz OTXVCOKUEGVJLQ-HNNXBMFYSA-N 0 0 441.578 4.615 50 0 IJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cc(OC)ccc4o3)cs2)cc1 ZINC000010883725 557068209 /nfs/dbraw/zinc/06/82/09/557068209.db2.gz PBBGPBNKVOUASH-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000033290425 557068580 /nfs/dbraw/zinc/06/85/80/557068580.db2.gz VPNINOJPVXWBDE-UHFFFAOYSA-N 0 0 444.535 4.698 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290854 557069175 /nfs/dbraw/zinc/06/91/75/557069175.db2.gz IAVTVHKEPBUQOY-OAHLLOKOSA-N 0 0 438.915 4.793 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc2)c1 ZINC000017360998 557070343 /nfs/dbraw/zinc/07/03/43/557070343.db2.gz ATSJUDISBYREAJ-UHFFFAOYSA-N 0 0 448.519 4.968 50 0 IJAARN O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000048341848 557070871 /nfs/dbraw/zinc/07/08/71/557070871.db2.gz ZGUWGZTZLUOMNB-GOSISDBHSA-N 0 0 445.466 4.882 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 ZINC000017371393 557077506 /nfs/dbraw/zinc/07/75/06/557077506.db2.gz JZWXJMINRFLKPL-UHFFFAOYSA-N 0 0 449.544 4.938 50 0 IJAARN COc1ccc(Oc2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc2OC)cc1 ZINC000011294041 557080975 /nfs/dbraw/zinc/08/09/75/557080975.db2.gz FOSZEZYASSAOGF-UHFFFAOYSA-N 0 0 432.476 4.875 50 0 IJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2cccc(C(=O)N3CCCCC3)c2)c1Cl ZINC000060682253 557081860 /nfs/dbraw/zinc/08/18/60/557081860.db2.gz IWNUIVAVUKERFH-UHFFFAOYSA-N 0 0 442.730 4.607 50 0 IJAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C(C)=O)c3)c2c1=O ZINC000048987113 557082548 /nfs/dbraw/zinc/08/25/48/557082548.db2.gz HMRDKOSBJBLGDQ-UHFFFAOYSA-N 0 0 442.519 4.506 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000033302201 557083579 /nfs/dbraw/zinc/08/35/79/557083579.db2.gz KEFYEIMUPUGCNZ-UHFFFAOYSA-N 0 0 444.560 4.611 50 0 IJAARN COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc32)cc1Cl ZINC000049004895 557084041 /nfs/dbraw/zinc/08/40/41/557084041.db2.gz HMXOBGNLOOZOEJ-UHFFFAOYSA-N 0 0 428.945 4.533 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000049006028 557084829 /nfs/dbraw/zinc/08/48/29/557084829.db2.gz XRIGHBRRNQATHD-HSZRJFAPSA-N 0 0 428.536 4.923 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000023341277 557086333 /nfs/dbraw/zinc/08/63/33/557086333.db2.gz SIGYWBHFVLADGV-ZDUSSCGKSA-N 0 0 437.550 4.958 50 0 IJAARN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)n3c4ccccc4nc32)cc1 ZINC000023382087 557089175 /nfs/dbraw/zinc/08/91/75/557089175.db2.gz RTALGDVRIZNABG-QFIPXVFZSA-N 0 0 428.467 4.601 50 0 IJAARN COc1ccc(CCNC(=O)c2cnn3c2nccc3-c2ccc(C(C)C)cc2)cc1OC ZINC000049002945 557090679 /nfs/dbraw/zinc/09/06/79/557090679.db2.gz LQFWKSHGWLTODT-UHFFFAOYSA-N 0 0 444.535 4.509 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)s1 ZINC000033311122 557094933 /nfs/dbraw/zinc/09/49/33/557094933.db2.gz WLBXYJPMBYHYTD-IBGZPJMESA-N 0 0 426.582 4.614 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)cc1F ZINC000033311153 557094973 /nfs/dbraw/zinc/09/49/73/557094973.db2.gz LSZGVXAFQHMJAR-FQEVSTJZSA-N 0 0 438.543 4.691 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)N1CCCC1 ZINC000033311333 557095472 /nfs/dbraw/zinc/09/54/72/557095472.db2.gz AFPLOPBDMVDYKE-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000033311964 557096062 /nfs/dbraw/zinc/09/60/62/557096062.db2.gz GWJIFXCANQZZBM-FQEVSTJZSA-N 0 0 430.552 4.623 50 0 IJAARN CCN1c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2[S@@](=O)c2ccccc2C1=O ZINC000033313856 557098186 /nfs/dbraw/zinc/09/81/86/557098186.db2.gz KRSCSLBMHMDHNJ-XFSFLGPDSA-N 0 0 444.556 4.641 50 0 IJAARN COc1cccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2Cc2ccco2)c1 ZINC000023556067 557098464 /nfs/dbraw/zinc/09/84/64/557098464.db2.gz UYUFUAPZTJVUEL-UHFFFAOYSA-N 0 0 431.521 4.843 50 0 IJAARN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010917187 557099064 /nfs/dbraw/zinc/09/90/64/557099064.db2.gz AMABVUCSFOUNDD-UHFFFAOYSA-N 0 0 437.276 4.852 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)[C@@H](C)c4ccccn4)cc3o2)cc1OC ZINC000023581828 557099338 /nfs/dbraw/zinc/09/93/38/557099338.db2.gz UUSYAMMHJZAUQY-INIZCTEOSA-N 0 0 431.492 4.664 50 0 IJAARN CC(C)c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404998 557100170 /nfs/dbraw/zinc/10/01/70/557100170.db2.gz DFSDXQRXSBLHFV-UHFFFAOYSA-N 0 0 440.956 4.902 50 0 IJAARN CCOc1ccc(N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000049386407 557101530 /nfs/dbraw/zinc/10/15/30/557101530.db2.gz LUXNSAYEQSIYRT-UHFFFAOYSA-N 0 0 441.837 4.638 50 0 IJAARN Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1NC(=O)c1ccco1 ZINC000023640339 557101801 /nfs/dbraw/zinc/10/18/01/557101801.db2.gz UVVHJUVOZZIPSW-UHFFFAOYSA-N 0 0 443.956 4.513 50 0 IJAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccccc1 ZINC000033320667 557104137 /nfs/dbraw/zinc/10/41/37/557104137.db2.gz SWECCXJMZHECRY-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 ZINC000023698704 557107185 /nfs/dbraw/zinc/10/71/85/557107185.db2.gz OKUXDQDCSAOHLA-LJQANCHMSA-N 0 0 430.430 4.580 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)n2)cc1 ZINC000033326689 557108371 /nfs/dbraw/zinc/10/83/71/557108371.db2.gz HOWSWCHFAMCSDF-UHFFFAOYSA-N 0 0 426.908 4.901 50 0 IJAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(C)c4)cc3)cn2)c1 ZINC000049421827 557108630 /nfs/dbraw/zinc/10/86/30/557108630.db2.gz NAFCSMCLXHIEBE-UHFFFAOYSA-N 0 0 440.503 4.753 50 0 IJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049443746 557109628 /nfs/dbraw/zinc/10/96/28/557109628.db2.gz UWONMEXENAMIFN-UHFFFAOYSA-N 0 0 442.484 4.547 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccc(F)cc3)CC2)cc1OC ZINC000023739296 557112711 /nfs/dbraw/zinc/11/27/11/557112711.db2.gz ZNPPCAHGPAKSJM-UHFFFAOYSA-N 0 0 449.526 4.545 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccncc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049611690 557115523 /nfs/dbraw/zinc/11/55/23/557115523.db2.gz OZNQCXIUBUATLY-RPLLCQBOSA-N 0 0 449.554 4.993 50 0 IJAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C3=O)s1 ZINC000033331717 557115661 /nfs/dbraw/zinc/11/56/61/557115661.db2.gz MONFMMUZBZPBBO-DEOSSOPVSA-N 0 0 429.630 4.975 50 0 IJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OC(C)C ZINC000033333162 557117807 /nfs/dbraw/zinc/11/78/07/557117807.db2.gz LZUUDHWVCZSLFQ-ZDLGFXPLSA-N 0 0 432.879 4.758 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1C ZINC000113628366 557118264 /nfs/dbraw/zinc/11/82/64/557118264.db2.gz ZJLKXUUOPXJGEN-HSZRJFAPSA-N 0 0 444.556 4.909 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000001065277 557118429 /nfs/dbraw/zinc/11/84/29/557118429.db2.gz RCGUVOZNTNBDCS-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OCc3ccccc3)cc21 ZINC000000623652 557121553 /nfs/dbraw/zinc/12/15/53/557121553.db2.gz OFNHSCVYAKYRJX-UHFFFAOYSA-N 0 0 447.281 4.803 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc([C@@H](O)c2ccco2)s1 ZINC000206685064 557126693 /nfs/dbraw/zinc/12/66/93/557126693.db2.gz ZBJYHRYVPRICAP-FQEVSTJZSA-N 0 0 428.897 4.970 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccc(C)cc2)cc1 ZINC000017885843 557126868 /nfs/dbraw/zinc/12/68/68/557126868.db2.gz MHQXPCQFAPROIU-KDURUIRLSA-N 0 0 448.592 4.550 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799788 557127151 /nfs/dbraw/zinc/12/71/51/557127151.db2.gz OGXYKPJGBJFMKG-RCZVLFRGSA-N 0 0 448.494 4.884 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799798 557127157 /nfs/dbraw/zinc/12/71/57/557127157.db2.gz OGXYKPJGBJFMKG-DHLKQENFSA-N 0 0 448.494 4.884 50 0 IJAARN COc1ccc(C[C@@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c2ccc(OC)cc2)cc1 ZINC000023951184 557127355 /nfs/dbraw/zinc/12/73/55/557127355.db2.gz BVABHOGCYVCBSC-JOCHJYFZSA-N 0 0 432.520 4.573 50 0 IJAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3ccc4ccccc4c3)c2)N1 ZINC000000652604 557129333 /nfs/dbraw/zinc/12/93/33/557129333.db2.gz SVJPEGLCJVRWLW-JOCHJYFZSA-N 0 0 428.410 4.892 50 0 IJAARN Cc1ccc(C)c(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000654180 557130294 /nfs/dbraw/zinc/13/02/94/557130294.db2.gz ZPVZHOSHJXSSLO-HSZRJFAPSA-N 0 0 445.416 4.939 50 0 IJAARN C[C@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)c1ccccn1 ZINC000024001795 557131153 /nfs/dbraw/zinc/13/11/53/557131153.db2.gz CSJNEDMUZWUSMS-HNNXBMFYSA-N 0 0 437.594 4.820 50 0 IJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000024751342 557134049 /nfs/dbraw/zinc/13/40/49/557134049.db2.gz HZBJXWPUVWOPHR-MRXNPFEDSA-N 0 0 431.521 4.734 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000017968936 557134760 /nfs/dbraw/zinc/13/47/60/557134760.db2.gz ZATFZBIWKRJBFQ-UHFFFAOYSA-N 0 0 425.488 4.621 50 0 IJAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000000693649 557137175 /nfs/dbraw/zinc/13/71/75/557137175.db2.gz LRZPDHHPIPXWBO-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CC(C)COc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000000697101 557137575 /nfs/dbraw/zinc/13/75/75/557137575.db2.gz KZLFBNMTLCZDGX-UHFFFAOYSA-N 0 0 436.512 4.682 50 0 IJAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(NS(=O)(=O)C=Cc3ccccc3)c2)c1 ZINC000006141663 557146058 /nfs/dbraw/zinc/14/60/58/557146058.db2.gz WRYLCHJGBBWSJZ-BUHFOSPRSA-N 0 0 449.528 4.756 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000024395773 557146309 /nfs/dbraw/zinc/14/63/09/557146309.db2.gz XSPZCPGSXSHSPX-UHFFFAOYSA-N 0 0 436.968 4.909 50 0 IJAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC(F)F ZINC000011450478 557148948 /nfs/dbraw/zinc/14/89/48/557148948.db2.gz VJMHLRWOGNDNDP-UHFFFAOYSA-N 0 0 445.447 4.557 50 0 IJAARN Cc1nc(SCc2nnc(-c3ccc(Br)cc3)o2)n(C[C@@H]2CCCO2)c1C ZINC000024513418 557149735 /nfs/dbraw/zinc/14/97/35/557149735.db2.gz OMEDRCRMCBXMHE-INIZCTEOSA-N 0 0 449.374 4.784 50 0 IJAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cccc2ccccc21 ZINC000024607624 557153665 /nfs/dbraw/zinc/15/36/65/557153665.db2.gz ZPXGNFQWOOGQOU-UHFFFAOYSA-N 0 0 432.476 4.793 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607758 557153723 /nfs/dbraw/zinc/15/37/23/557153723.db2.gz ZASFSECVQGYTFI-UHFFFAOYSA-N 0 0 430.888 4.602 50 0 IJAARN C[C@H](c1ccccc1)n1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc2c1=O ZINC000011499494 557154178 /nfs/dbraw/zinc/15/41/78/557154178.db2.gz JPKGYUCLSOQPBN-LJQANCHMSA-N 0 0 443.572 4.757 50 0 IJAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000024630497 557156678 /nfs/dbraw/zinc/15/66/78/557156678.db2.gz LUHIGHKHPCXFFW-OAHLLOKOSA-N 0 0 449.001 4.565 50 0 IJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000011514727 557156760 /nfs/dbraw/zinc/15/67/60/557156760.db2.gz XGRWPYJERUJLKQ-UHFFFAOYSA-N 0 0 433.432 4.736 50 0 IJAARN Cc1ccc(-n2c(=S)n(CN(C)Cc3cnn(C)c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000024655983 557157659 /nfs/dbraw/zinc/15/76/59/557157659.db2.gz IOOPANIVVSGHGZ-UHFFFAOYSA-N 0 0 438.988 4.855 50 0 IJAARN Cc1ccc(-c2csc(N3NC4=C(COc5ccccc54)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957634 557159040 /nfs/dbraw/zinc/15/90/40/557159040.db2.gz IZUYGJHIILAGJL-FOIQADDNSA-N 0 0 431.439 4.602 50 0 IJAARN Cc1ccc(-c2csc(N3NC4=C(COc5ccccc54)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957639 557159088 /nfs/dbraw/zinc/15/90/88/557159088.db2.gz IZUYGJHIILAGJL-YWZLYKJASA-N 0 0 431.439 4.602 50 0 IJAARN Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)co2)c(C)c1 ZINC000024832148 557166098 /nfs/dbraw/zinc/16/60/98/557166098.db2.gz OHQFORKWZGLMLK-UHFFFAOYSA-N 0 0 433.430 4.928 50 0 IJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207016533 557170689 /nfs/dbraw/zinc/17/06/89/557170689.db2.gz ZLAXEYAILXTRNB-ZDUSSCGKSA-N 0 0 437.443 4.792 50 0 IJAARN CCc1nc(SC[C@@H](O)COc2ccccc2F)nc(N)c1-c1ccc(Cl)cc1 ZINC000024843834 557173880 /nfs/dbraw/zinc/17/38/80/557173880.db2.gz WDQKLJCWAMCIHC-HNNXBMFYSA-N 0 0 433.936 4.613 50 0 IJAARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000024929079 557180763 /nfs/dbraw/zinc/18/07/63/557180763.db2.gz PNQPDJPTMSHANG-GFCCVEGCSA-N 0 0 425.838 4.925 50 0 IJAARN Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C(C)C)c(C)c1 ZINC000009289846 557183596 /nfs/dbraw/zinc/18/35/96/557183596.db2.gz LBAAVJWKUHFNJZ-HNNXBMFYSA-N 0 0 431.587 4.631 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)ccc2ccccc21 ZINC000009306055 557186003 /nfs/dbraw/zinc/18/60/03/557186003.db2.gz CSQCXXFCCJYJKZ-OXQOHEQNSA-N 0 0 438.597 4.643 50 0 IJAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c(OC)c1 ZINC000009327992 557186997 /nfs/dbraw/zinc/18/69/97/557186997.db2.gz QTPNYGIRCJUUJL-UHFFFAOYSA-N 0 0 439.324 4.527 50 0 IJAARN Cn1cccc1[C@H]1CCCN1CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000024988467 557187028 /nfs/dbraw/zinc/18/70/28/557187028.db2.gz BGYVLNYLFFIPLT-JOCHJYFZSA-N 0 0 434.609 4.731 50 0 IJAARN CC(=O)N1C[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)Oc2ccccc21 ZINC000025014123 557189259 /nfs/dbraw/zinc/18/92/59/557189259.db2.gz WTXCFMPWECGBSQ-SFHVURJKSA-N 0 0 448.331 4.870 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000025057403 557192430 /nfs/dbraw/zinc/19/24/30/557192430.db2.gz NEFVJENMJQTFIQ-DHIUTWEWSA-N 0 0 434.923 4.977 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC ZINC000000794048 557200535 /nfs/dbraw/zinc/20/05/35/557200535.db2.gz XHCOGXJZUKGNBX-RUZDIDTESA-N 0 0 433.504 4.509 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000025277690 557202454 /nfs/dbraw/zinc/20/24/54/557202454.db2.gz IYVXFMAROUHQJN-UHFFFAOYSA-N 0 0 437.525 4.881 50 0 IJAARN O=C(OCCCOc1ccc(F)cc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000025309255 557203473 /nfs/dbraw/zinc/20/34/73/557203473.db2.gz CDGKUOLIAZZAMG-UHFFFAOYSA-N 0 0 435.495 4.843 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)s2)cc1OC ZINC000011585721 557204868 /nfs/dbraw/zinc/20/48/68/557204868.db2.gz AAMALLVSTLUCKT-GOSISDBHSA-N 0 0 448.548 4.989 50 0 IJAARN COc1cc(OC)c(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1Cl ZINC000011602158 557207608 /nfs/dbraw/zinc/20/76/08/557207608.db2.gz POOAAXCNTASGGO-UHFFFAOYSA-N 0 0 432.933 4.616 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cccc2ccccc21 ZINC000011613142 557208958 /nfs/dbraw/zinc/20/89/58/557208958.db2.gz KRZWFXXGVPCRQT-UHFFFAOYSA-N 0 0 442.540 4.839 50 0 IJAARN CCOc1ccccc1N1CCN(Cn2nc(Nc3ccccc3F)sc2=S)CC1 ZINC000025499285 557212365 /nfs/dbraw/zinc/21/23/65/557212365.db2.gz MCFHCGRVMSMSQI-UHFFFAOYSA-N 0 0 445.589 4.735 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc(OCC)c1OCC ZINC000011617408 557213007 /nfs/dbraw/zinc/21/30/07/557213007.db2.gz ZTSVYLXDFXBSHX-UHFFFAOYSA-N 0 0 431.489 4.793 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 ZINC000010999040 557221595 /nfs/dbraw/zinc/22/15/95/557221595.db2.gz FUFLLOKRIHXGSC-UHFFFAOYSA-N 0 0 443.381 4.735 50 0 IJAARN CN1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c2nc3ccccc3nc21 ZINC000010934931 557226413 /nfs/dbraw/zinc/22/64/13/557226413.db2.gz QTZLAIDUEWASGL-UHFFFAOYSA-N 0 0 447.926 4.744 50 0 IJAARN Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)n2)cc1 ZINC000011120827 557227109 /nfs/dbraw/zinc/22/71/09/557227109.db2.gz MOPFJMFRTIQKBU-UHFFFAOYSA-N 0 0 430.489 4.689 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000025901552 557229764 /nfs/dbraw/zinc/22/97/64/557229764.db2.gz JNHBEANJALOXAM-GBXCKJPGSA-N 0 0 448.563 4.914 50 0 IJAARN Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000032949864 557231816 /nfs/dbraw/zinc/23/18/16/557231816.db2.gz MBMMTRZKHHEQAW-UHFFFAOYSA-N 0 0 432.297 4.510 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)s2)c1Cl ZINC000026041202 557232556 /nfs/dbraw/zinc/23/25/56/557232556.db2.gz SXHMJRQKOCUTOS-INIZCTEOSA-N 0 0 443.956 4.780 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3C)n2)cc1F ZINC000098211460 557234855 /nfs/dbraw/zinc/23/48/55/557234855.db2.gz COKDAPBDPFGZKH-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(F)ccc3Cl)n2)cc1F ZINC000098211471 557234895 /nfs/dbraw/zinc/23/48/95/557234895.db2.gz LOWCOHHAMGXUEN-UHFFFAOYSA-N 0 0 444.825 4.784 50 0 IJAARN CC(=O)Nc1cccc(-n2c(SCC(=O)c3ccc(Cl)s3)nnc2C2CC2)c1 ZINC000026132920 557236108 /nfs/dbraw/zinc/23/61/08/557236108.db2.gz KQLBKKAGLHAAGI-UHFFFAOYSA-N 0 0 432.958 4.793 50 0 IJAARN O=c1c2ccccc2nc(SCc2coc(-c3ccc(F)cc3)n2)n1C[C@@H]1CCCO1 ZINC000026184981 557237017 /nfs/dbraw/zinc/23/70/17/557237017.db2.gz MZIGCXPKVSEZPR-SFHVURJKSA-N 0 0 437.496 4.662 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1OCCC ZINC000018108813 557237245 /nfs/dbraw/zinc/23/72/45/557237245.db2.gz VLFUWHRPWORCQQ-AOMKIAJQSA-N 0 0 442.581 4.945 50 0 IJAARN CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cn4c(cccc4C)n3)cs2)cc1 ZINC000032950654 557237795 /nfs/dbraw/zinc/23/77/95/557237795.db2.gz MOKYZHPSTCQBIZ-UHFFFAOYSA-N 0 0 434.521 4.703 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000008093778 557239005 /nfs/dbraw/zinc/23/90/05/557239005.db2.gz YCOVAFRNQQAYKQ-KRWDZBQOSA-N 0 0 429.586 4.649 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)C(=CNc2ccc(OC(F)(F)F)cc2)[N+](=O)[O-])cc1 ZINC000100074162 557239851 /nfs/dbraw/zinc/23/98/51/557239851.db2.gz ZMNPLBNHWMWNOC-SFQUDFHCSA-N 0 0 444.431 4.844 50 0 IJAARN CCCCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Cl)cc3)nn2c1=O ZINC000026531727 557243253 /nfs/dbraw/zinc/24/32/53/557243253.db2.gz YMQPPJXNQXIALE-HKWRFOASSA-N 0 0 439.968 4.978 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n(C2CCCCC2)c1C ZINC000024932900 557243933 /nfs/dbraw/zinc/24/39/33/557243933.db2.gz SMVVXERKSYUYSY-INIZCTEOSA-N 0 0 435.615 4.740 50 0 IJAARN COC(=O)Cc1ccc(-n2c(N)c(C(=O)Nc3cc(Cl)ccc3C)sc2=S)cc1 ZINC000032952512 557250898 /nfs/dbraw/zinc/25/08/98/557250898.db2.gz HRKMOAQPRIKRQM-UHFFFAOYSA-N 0 0 447.969 4.780 50 0 IJAARN CC(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000027015657 557253905 /nfs/dbraw/zinc/25/39/05/557253905.db2.gz GUXHSSDEXOEKQB-ABSDTBQOSA-N 0 0 440.849 4.567 50 0 IJAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc(/C=C/c3cccs3)nn12 ZINC000027022389 557255518 /nfs/dbraw/zinc/25/55/18/557255518.db2.gz UEMSCQPNYHGQHW-JTHDKOFASA-N 0 0 443.553 4.510 50 0 IJAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000100293071 557256851 /nfs/dbraw/zinc/25/68/51/557256851.db2.gz SATUNPTUJFOSJI-FATVKVNYSA-N 0 0 437.495 4.855 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000821196 557268072 /nfs/dbraw/zinc/26/80/72/557268072.db2.gz OXDFUXLHKUOHHC-AWEZNQCLSA-N 0 0 426.460 4.521 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C(C)C)cc1OC ZINC000100730904 557272610 /nfs/dbraw/zinc/27/26/10/557272610.db2.gz UJBSPNJCXQOSFO-DYESRHJHSA-N 0 0 431.330 4.992 50 0 IJAARN Cc1cc(-c2cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c3c(C)noc3n2)c(C)o1 ZINC000070014932 557273825 /nfs/dbraw/zinc/27/38/25/557273825.db2.gz QVRJLZFSOSOPEO-IBGZPJMESA-N 0 0 446.507 4.624 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354195 557275423 /nfs/dbraw/zinc/27/54/23/557275423.db2.gz DNHGYXRLAJRCGN-HXUWFJFHSA-N 0 0 425.532 4.682 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000100891979 557277931 /nfs/dbraw/zinc/27/79/31/557277931.db2.gz NEDSRNYMOAIJTG-XOKHGSTOSA-N 0 0 430.426 4.883 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@H]1c1ccccc1Cl ZINC000101400467 557280170 /nfs/dbraw/zinc/28/01/70/557280170.db2.gz OCMQCAJVBNPVBI-FQEVSTJZSA-N 0 0 447.988 4.640 50 0 IJAARN CC1=C(CC(=O)NCc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101375765 557280895 /nfs/dbraw/zinc/28/08/95/557280895.db2.gz ZJETYOGXSUWTAS-QYTKIBOQSA-N 0 0 446.547 4.992 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3C)N12 ZINC000101385940 557281911 /nfs/dbraw/zinc/28/19/11/557281911.db2.gz FLJKLWMMCFLMTK-ZHRRBRCNSA-N 0 0 441.597 4.826 50 0 IJAARN Clc1ccc([C@@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000101061523 557282050 /nfs/dbraw/zinc/28/20/50/557282050.db2.gz VJKUGZZIVDTDDC-INIZCTEOSA-N 0 0 434.668 4.592 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1Cl ZINC000101096631 557283001 /nfs/dbraw/zinc/28/30/01/557283001.db2.gz NFGOCFNERZOQOP-UHFFFAOYSA-N 0 0 448.928 4.610 50 0 IJAARN COc1cccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)c1 ZINC000101641630 557292207 /nfs/dbraw/zinc/29/22/07/557292207.db2.gz ZMJALVYSSAOZLO-INIZCTEOSA-N 0 0 449.255 4.707 50 0 IJAARN COc1cccc(CNC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101682438 557295039 /nfs/dbraw/zinc/29/50/39/557295039.db2.gz TYRTTZRAQIBYJO-UHFFFAOYSA-N 0 0 447.560 4.547 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000013137405 557298894 /nfs/dbraw/zinc/29/88/94/557298894.db2.gz RNJPRIDONBYIAU-INIZCTEOSA-N 0 0 447.354 4.650 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828671 557300147 /nfs/dbraw/zinc/30/01/47/557300147.db2.gz LEQRUAUJQIEUPG-UHFFFAOYSA-N 0 0 446.869 4.541 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2OC)c1[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000032073460 557301295 /nfs/dbraw/zinc/30/12/95/557301295.db2.gz LUJCKGHYVIWIGL-GOSISDBHSA-N 0 0 428.847 4.662 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 ZINC000101837219 557303189 /nfs/dbraw/zinc/30/31/89/557303189.db2.gz KEWSDESKCWJGFH-QGZVFWFLSA-N 0 0 435.846 4.972 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc4c(c3)CCC4)C(=O)C2)cc1 ZINC000101880615 557304939 /nfs/dbraw/zinc/30/49/39/557304939.db2.gz SYZJENUKIYSPMK-UHFFFAOYSA-N 0 0 438.531 4.629 50 0 IJAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cc(C)cc3C)C(=O)C2)c1 ZINC000101881670 557305341 /nfs/dbraw/zinc/30/53/41/557305341.db2.gz LEYSICYBIKISKA-UHFFFAOYSA-N 0 0 442.519 4.512 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)CC1 ZINC000032907939 557317430 /nfs/dbraw/zinc/31/74/30/557317430.db2.gz ZLNLZJPZMAJDFF-LTGZKZEYSA-N 0 0 444.478 4.566 50 0 IJAARN Cn1c(SCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)nnc1-c1ccccc1F ZINC000014201743 557317652 /nfs/dbraw/zinc/31/76/52/557317652.db2.gz CMZNXKXDHJRABX-LJQANCHMSA-N 0 0 430.936 4.634 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2OC)s1 ZINC000033007893 557320774 /nfs/dbraw/zinc/32/07/74/557320774.db2.gz QQXCSXJBTQZACB-UHFFFAOYSA-N 0 0 447.582 4.653 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)s2)cc1 ZINC000033113321 557325964 /nfs/dbraw/zinc/32/59/64/557325964.db2.gz GMWPZDWTEAARRW-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C/c4ccc(CC)cc4)c(=O)n3n2)cc1 ZINC000033168290 557326361 /nfs/dbraw/zinc/32/63/61/557326361.db2.gz NGQKSAFWHUIHOR-OQKWZONESA-N 0 0 433.577 4.887 50 0 IJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccccc3Br)c2c1 ZINC000033172535 557326685 /nfs/dbraw/zinc/32/66/85/557326685.db2.gz LUTSXDRCWXRDLE-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251160 557327328 /nfs/dbraw/zinc/32/73/28/557327328.db2.gz LACLFXHUEDIPNQ-SFHVURJKSA-N 0 0 445.441 4.825 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)s1 ZINC000033306571 557333471 /nfs/dbraw/zinc/33/34/71/557333471.db2.gz RWBZAIFDBJBZKS-ZRDIBKRKSA-N 0 0 445.566 4.697 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc(C)cc2)C2CC2)o1 ZINC000033364354 557334429 /nfs/dbraw/zinc/33/44/29/557334429.db2.gz BBCUJZUWUYSOOQ-UHFFFAOYSA-N 0 0 430.548 4.773 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000014360513 557336277 /nfs/dbraw/zinc/33/62/77/557336277.db2.gz BXQRSAZQOYHAEU-JTSKRJEESA-N 0 0 432.520 4.762 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCc1cccnc1)c1ccccc1 ZINC000033570442 557339447 /nfs/dbraw/zinc/33/94/47/557339447.db2.gz TUPYHUUTVFGQLD-UHFFFAOYSA-N 0 0 425.897 4.835 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000102529263 557340472 /nfs/dbraw/zinc/34/04/72/557340472.db2.gz PBBQTHPJVGKEFY-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCc3ccccc3)C(=O)C2)cc1C ZINC000102530153 557341608 /nfs/dbraw/zinc/34/16/08/557341608.db2.gz JGDZWYRZUYCGAP-UHFFFAOYSA-N 0 0 425.532 4.520 50 0 IJAARN COc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)c1 ZINC000102530538 557342556 /nfs/dbraw/zinc/34/25/56/557342556.db2.gz YRTOMHGWKOTYPS-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN COc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2C)CC1=O ZINC000102531052 557343092 /nfs/dbraw/zinc/34/30/92/557343092.db2.gz PYBFUYMLQLIZKQ-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Br)cc2)cc1 ZINC000014611242 557345380 /nfs/dbraw/zinc/34/53/80/557345380.db2.gz FBSVILXBEVMSBI-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN Cc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610984 557345419 /nfs/dbraw/zinc/34/54/19/557345419.db2.gz CAPJSGRIZYCIEX-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1c(F)c(F)c(F)c(F)c1F ZINC000023332898 557346244 /nfs/dbraw/zinc/34/62/44/557346244.db2.gz FDSMQMDNSYKCNA-AWEZNQCLSA-N 0 0 435.348 4.908 50 0 IJAARN CCOC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1NCc1ccc(OC)cc1 ZINC000023336182 557348859 /nfs/dbraw/zinc/34/88/59/557348859.db2.gz XRDDWBUMFDAIKN-UHFFFAOYSA-N 0 0 431.414 4.960 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)nc2)cc1 ZINC000023443171 557358614 /nfs/dbraw/zinc/35/86/14/557358614.db2.gz ODSYQESQALUREY-HSZRJFAPSA-N 0 0 438.911 4.549 50 0 IJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000023443895 557358618 /nfs/dbraw/zinc/35/86/18/557358618.db2.gz CPWHDCLTWZFIIE-VWLOTQADSA-N 0 0 448.519 4.901 50 0 IJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cc(OC)cc(OC)c4)cc3)n[nH]2)c1 ZINC000023452146 557359563 /nfs/dbraw/zinc/35/95/63/557359563.db2.gz BQCLBACZPGWITN-UHFFFAOYSA-N 0 0 443.503 4.700 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(C)o3)nc3cc(OC)c(OC)cc32)cc1 ZINC000023461882 557361133 /nfs/dbraw/zinc/36/11/33/557361133.db2.gz BRYCNBBHDZNWKO-UHFFFAOYSA-N 0 0 446.503 4.802 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102674856 557363216 /nfs/dbraw/zinc/36/32/16/557363216.db2.gz JHZXHPQSFUGVKS-OYHNWAKOSA-N 0 0 446.507 4.678 50 0 IJAARN COc1cc(OC)c([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000102680118 557368296 /nfs/dbraw/zinc/36/82/96/557368296.db2.gz HZGYOKGRMQUJSN-NRFANRHFSA-N 0 0 447.491 4.818 50 0 IJAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011689892 557368573 /nfs/dbraw/zinc/36/85/73/557368573.db2.gz LAOYFHFJCURAEC-UHFFFAOYSA-N 0 0 431.521 4.802 50 0 IJAARN COc1ccccc1CN1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000102732915 557372228 /nfs/dbraw/zinc/37/22/28/557372228.db2.gz SQZNRNXYIVUMNL-UHFFFAOYSA-N 0 0 437.521 4.598 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102743967 557377090 /nfs/dbraw/zinc/37/70/90/557377090.db2.gz YPXKOARMYJJBTQ-DSNGMDLFSA-N 0 0 437.499 4.836 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000102749272 557379129 /nfs/dbraw/zinc/37/91/29/557379129.db2.gz JLBMDPCAVYQBTR-DSNGMDLFSA-N 0 0 437.499 4.836 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000102737535 557379955 /nfs/dbraw/zinc/37/99/55/557379955.db2.gz MKQVRACFRHRUGC-OYHNWAKOSA-N 0 0 448.479 4.724 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000102764071 557381297 /nfs/dbraw/zinc/38/12/97/557381297.db2.gz WMNHFELYSHGHNV-KMDXXIMOSA-N 0 0 446.478 4.666 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@H]3CSCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000102773506 557382340 /nfs/dbraw/zinc/38/23/40/557382340.db2.gz FGIYHNXMIJHZJO-CHQSNSNVSA-N 0 0 440.568 4.814 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3cccc(C)c3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000011692020 557385647 /nfs/dbraw/zinc/38/56/47/557385647.db2.gz COYGSOAUGHBBLH-UHFFFAOYSA-N 0 0 443.478 4.916 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1 ZINC000011694436 557392475 /nfs/dbraw/zinc/39/24/75/557392475.db2.gz SITAWTMSMOGDHS-UHFFFAOYSA-N 0 0 447.466 4.860 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)n2)cc1 ZINC000033447456 557398666 /nfs/dbraw/zinc/39/86/66/557398666.db2.gz RPVCPGWQZOLSAQ-JQZCCEMDSA-N 0 0 436.556 4.603 50 0 IJAARN COCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000033483404 557401509 /nfs/dbraw/zinc/40/15/09/557401509.db2.gz OUZSWNQBZIHFTK-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN Cc1cc(/C=C/C(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1C1CCCCC1 ZINC000025610460 557402327 /nfs/dbraw/zinc/40/23/27/557402327.db2.gz WWSSPNYXSUYMMU-ZHACJKMWSA-N 0 0 425.598 4.669 50 0 IJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000004903588 557403033 /nfs/dbraw/zinc/40/30/33/557403033.db2.gz CLWNZAUUNSQBRZ-QFIPXVFZSA-N 0 0 425.532 4.940 50 0 IJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004903479 557403053 /nfs/dbraw/zinc/40/30/53/557403053.db2.gz ANWBBFYQFQXKPO-JOCHJYFZSA-N 0 0 425.532 4.940 50 0 IJAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc1 ZINC000408515596 557412390 /nfs/dbraw/zinc/41/23/90/557412390.db2.gz AYYNNQQAQODBDI-SFHVURJKSA-N 0 0 448.592 4.894 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1F ZINC000033581328 557414253 /nfs/dbraw/zinc/41/42/53/557414253.db2.gz ASDKPSPHXPRMTQ-UHFFFAOYSA-N 0 0 436.527 4.851 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(C)c1)CC2 ZINC000103051986 557416957 /nfs/dbraw/zinc/41/69/57/557416957.db2.gz WRNMAPOFJBYEKC-MHECFPHRSA-N 0 0 439.600 4.598 50 0 IJAARN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000024548335 557442236 /nfs/dbraw/zinc/44/22/36/557442236.db2.gz NCVSGSNTWXHDNP-INIZCTEOSA-N 0 0 438.471 4.718 50 0 IJAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000014812528 557458266 /nfs/dbraw/zinc/45/82/66/557458266.db2.gz MWJBMMFQAVPQOC-FMIVXFBMSA-N 0 0 444.487 4.862 50 0 IJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000019912345 557498909 /nfs/dbraw/zinc/49/89/09/557498909.db2.gz YAIWFTXZGVTWAS-OAHLLOKOSA-N 0 0 434.751 4.547 50 0 IJAARN COc1ccc(-n2nnc(C(=O)OCc3cccc(C(F)(F)F)c3)c2C)cc1Cl ZINC000046914038 557513525 /nfs/dbraw/zinc/51/35/25/557513525.db2.gz YAZCCOUWCDCXQU-UHFFFAOYSA-N 0 0 425.794 4.614 50 0 IJAARN CCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000046913779 557513564 /nfs/dbraw/zinc/51/35/64/557513564.db2.gz HFONMOANGVHRFI-UHFFFAOYSA-N 0 0 436.947 4.544 50 0 IJAARN O=C(Nc1nccc(-c2ccco2)n1)c1ccc(COc2ccccc2Br)o1 ZINC000002790083 557522090 /nfs/dbraw/zinc/52/20/90/557522090.db2.gz CQSCVXXIDBYGNS-UHFFFAOYSA-N 0 0 440.253 4.923 50 0 IJAARN CCOc1ccc2oc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)c(C)c2c1 ZINC000012050957 557525358 /nfs/dbraw/zinc/52/53/58/557525358.db2.gz JUDQAKJPOPXJCL-UHFFFAOYSA-N 0 0 439.493 4.745 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccc(OC)cc2)oc1NCc1ccc(F)cc1 ZINC000012062841 557525903 /nfs/dbraw/zinc/52/59/03/557525903.db2.gz OJBYABLJVKXBBI-UHFFFAOYSA-N 0 0 434.404 4.993 50 0 IJAARN Cc1ccccc1-c1nc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC000107539062 557536207 /nfs/dbraw/zinc/53/62/07/557536207.db2.gz KMJGPDCFGSQZBB-WOJBJXKFSA-N 0 0 426.561 4.799 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O ZINC000044928763 557541352 /nfs/dbraw/zinc/54/13/52/557541352.db2.gz SMTXSFWFMQNYHI-YBEGLDIGSA-N 0 0 434.439 4.997 50 0 IJAARN C[C@@H](CNC(=O)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1)c1ccccc1 ZINC000045921613 557547581 /nfs/dbraw/zinc/54/75/81/557547581.db2.gz YHSZKFYDBFWHQS-IBGZPJMESA-N 0 0 432.593 4.764 50 0 IJAARN COc1cccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)cc2)c1OC ZINC000045928150 557550297 /nfs/dbraw/zinc/55/02/97/557550297.db2.gz MILFKFKEXOUZHY-HSZRJFAPSA-N 0 0 433.479 4.938 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941962 557551454 /nfs/dbraw/zinc/55/14/54/557551454.db2.gz HKBZOBQUQFMORS-HSZRJFAPSA-N 0 0 429.472 4.535 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000045943062 557552179 /nfs/dbraw/zinc/55/21/79/557552179.db2.gz YEIPHUBWKYLGTG-UHFFFAOYSA-N 0 0 449.429 4.970 50 0 IJAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4nc(-c5ccccc5)oc4C)n3n2)cc1 ZINC000045972072 557555682 /nfs/dbraw/zinc/55/56/82/557555682.db2.gz UUUOSIMAVMZTAU-UHFFFAOYSA-N 0 0 443.532 4.903 50 0 IJAARN CSc1nnc(CCCNC(=O)/C=C/c2cccc(C(F)(F)F)c2)n1C1CCCC1 ZINC000039983300 557674368 /nfs/dbraw/zinc/67/43/68/557674368.db2.gz SBFDGPZGTWLRQC-VAWYXSNFSA-N 0 0 438.519 4.896 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000040161015 557709481 /nfs/dbraw/zinc/70/94/81/557709481.db2.gz GWQVMHACCMSAFO-FQEVSTJZSA-N 0 0 444.553 4.974 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000225419295 557721109 /nfs/dbraw/zinc/72/11/09/557721109.db2.gz SDZCWMMFDMXERK-UHFFFAOYSA-N 0 0 428.416 4.743 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000225610776 557751504 /nfs/dbraw/zinc/75/15/04/557751504.db2.gz KKBDMYDORLGJBR-UQBPGWFLSA-N 0 0 445.563 4.884 50 0 IJAARN O=C(Nc1cccc2cccnc21)C(=O)NC1(c2ccc(Br)cc2)CCCC1 ZINC000225742303 557771630 /nfs/dbraw/zinc/77/16/30/557771630.db2.gz OYYVUSZRXPZBOZ-UHFFFAOYSA-N 0 0 438.325 4.522 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1CCCC2 ZINC000000846870 557829078 /nfs/dbraw/zinc/82/90/78/557829078.db2.gz ATSDUCZFOXMCKF-UHFFFAOYSA-N 0 0 438.343 4.584 50 0 IJAARN COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(=O)CSc2ccccn2)c1 ZINC000000862771 557836276 /nfs/dbraw/zinc/83/62/76/557836276.db2.gz JWHGWGOZNYORJL-UHFFFAOYSA-N 0 0 448.500 4.807 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)cc1 ZINC000000866449 557839789 /nfs/dbraw/zinc/83/97/89/557839789.db2.gz QIIVTBLBMPRMGE-MSOLQXFVSA-N 0 0 432.402 4.510 50 0 IJAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F ZINC000239412490 557844549 /nfs/dbraw/zinc/84/45/49/557844549.db2.gz STQAOONVQUCQKU-BPNCWPANSA-N 0 0 430.858 4.734 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)cc1OC ZINC000239415395 557844555 /nfs/dbraw/zinc/84/45/55/557844555.db2.gz UJBSPNJCXQOSFO-UTKZUKDTSA-N 0 0 431.330 4.992 50 0 IJAARN COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000034675738 557848237 /nfs/dbraw/zinc/84/82/37/557848237.db2.gz RFXMXPGPHLOBDA-UHFFFAOYSA-N 0 0 435.549 4.732 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 ZINC000000886665 557855756 /nfs/dbraw/zinc/85/57/56/557855756.db2.gz HQUAOFRWGGDACT-UHFFFAOYSA-N 0 0 446.532 4.769 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000018898831 557862750 /nfs/dbraw/zinc/86/27/50/557862750.db2.gz YZIWOVCWTYISRO-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COC(=O)c1ccc(C(=O)NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)cc1 ZINC000001097594 560180445 /nfs/dbraw/zinc/18/04/45/560180445.db2.gz NQYPLDLTZINCIW-UHFFFAOYSA-N 0 0 442.515 4.814 50 0 biogenic,in-vitro IJAARN CS(=O)(=O)c1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000001401001 562921726 /nfs/dbraw/zinc/92/17/26/562921726.db2.gz PSCSDIDONWTWSP-UHFFFAOYSA-N 0 0 436.333 4.845 50 0 IJAARN COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000002635626 562928920 /nfs/dbraw/zinc/92/89/20/562928920.db2.gz SWKIYZAPUUPZHV-QFIPXVFZSA-N 0 0 448.494 4.659 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000003038494 562932048 /nfs/dbraw/zinc/93/20/48/562932048.db2.gz KOVPWVXRTRZGPC-HSZRJFAPSA-N 0 0 428.935 4.766 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2C)c1 ZINC000003047776 562932171 /nfs/dbraw/zinc/93/21/71/562932171.db2.gz NFKAKWPEBNCMIM-UHFFFAOYSA-N 0 0 442.537 4.567 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COc2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000003248925 562933337 /nfs/dbraw/zinc/93/33/37/562933337.db2.gz OZQRAKFLKQGCOM-UHFFFAOYSA-N 0 0 428.330 4.950 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)n2)cc1 ZINC000003410915 562935338 /nfs/dbraw/zinc/93/53/38/562935338.db2.gz AXGVOYOTSMSGIX-UHFFFAOYSA-N 0 0 430.533 4.807 50 0 IJAARN COc1cccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1OC ZINC000003586618 562936580 /nfs/dbraw/zinc/93/65/80/562936580.db2.gz VAXZFKLPMUHBSZ-UHFFFAOYSA-N 0 0 434.492 4.682 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)N2c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000004165406 562942447 /nfs/dbraw/zinc/94/24/47/562942447.db2.gz JBYLQVKRGDJTQH-JRUMVTRASA-N 0 0 427.595 4.793 50 0 aggregator IJAARN CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000008586917 562950244 /nfs/dbraw/zinc/95/02/44/562950244.db2.gz KEZKWLPEOIFGTL-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 ZINC000008587317 562950247 /nfs/dbraw/zinc/95/02/47/562950247.db2.gz UOZMOXJVTBIOOH-HSZRJFAPSA-N 0 0 437.503 4.903 50 0 IJAARN O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccccc1F ZINC000008587616 562950310 /nfs/dbraw/zinc/95/03/10/562950310.db2.gz KGZOCAXAFGIVPY-UHFFFAOYSA-N 0 0 434.540 4.742 50 0 IJAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000008587572 562950345 /nfs/dbraw/zinc/95/03/45/562950345.db2.gz HAUKVTKDEWCAJA-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN Cc1c(C(=O)N(C)c2cccc(C(F)(F)F)c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000008588253 562950695 /nfs/dbraw/zinc/95/06/95/562950695.db2.gz AJHDNFBWWDXNCY-UHFFFAOYSA-N 0 0 435.471 4.788 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000008589928 562951401 /nfs/dbraw/zinc/95/14/01/562951401.db2.gz VKQFGKYSIMXMCK-JOCHJYFZSA-N 0 0 430.342 4.619 50 0 IJAARN C=Cc1ccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000008591619 562952066 /nfs/dbraw/zinc/95/20/66/562952066.db2.gz NHOSYHJYUWQFFO-UHFFFAOYSA-N 0 0 435.527 4.952 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1cc(C)ccc1C)n2C ZINC000008591867 562952147 /nfs/dbraw/zinc/95/21/47/562952147.db2.gz XRUGLMZSSUXJQD-UHFFFAOYSA-N 0 0 437.543 4.677 50 0 IJAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccc(C)o3)c2C(=O)[O-])cc1 ZINC000008595245 562953382 /nfs/dbraw/zinc/95/33/82/562953382.db2.gz IVYUKNDIDKDNDQ-UHFFFAOYSA-N 0 0 434.492 4.596 50 0 IJAARN COc1ccc(CCNC(=O)CSCc2nc(-c3cccc(C)c3)oc2C)cc1OC ZINC000008597381 562953953 /nfs/dbraw/zinc/95/39/53/562953953.db2.gz YPXGZUBIOGBSRQ-UHFFFAOYSA-N 0 0 440.565 4.568 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 ZINC000008599355 562954722 /nfs/dbraw/zinc/95/47/22/562954722.db2.gz AOFMKFMSIIZCDJ-UHFFFAOYSA-N 0 0 444.560 4.698 50 0 IJAARN COc1cc(OC)cc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000008601136 562955201 /nfs/dbraw/zinc/95/52/01/562955201.db2.gz SQRITDMNJLJRES-UHFFFAOYSA-N 0 0 436.455 4.819 50 0 IJAARN COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(CC(=O)NC4CCCC4)c3c2c1 ZINC000008605899 562956852 /nfs/dbraw/zinc/95/68/52/562956852.db2.gz JOECHBFOFRNQAL-UHFFFAOYSA-N 0 0 428.536 4.936 50 0 IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)cc1 ZINC000008609238 562957692 /nfs/dbraw/zinc/95/76/92/562957692.db2.gz OPYYZIATJIGHLR-UHFFFAOYSA-N 0 0 445.544 4.626 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000008609366 562957783 /nfs/dbraw/zinc/95/77/83/562957783.db2.gz JZOLIRFHIABBMR-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)cc1 ZINC000008610389 562958092 /nfs/dbraw/zinc/95/80/92/562958092.db2.gz GKHCOKLQZGDQBY-MHZLTWQESA-N 0 0 446.366 4.842 50 0 IJAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccc(C(F)(F)F)c(Cl)c1 ZINC000008619035 562959771 /nfs/dbraw/zinc/95/97/71/562959771.db2.gz JPAHIDXXZLDBMW-UHFFFAOYSA-N 0 0 441.200 4.892 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC ZINC000008684697 562962222 /nfs/dbraw/zinc/96/22/22/562962222.db2.gz WMIGXWGHAPRSGI-UHFFFAOYSA-N 0 0 435.958 4.530 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2oc3ccccc3c2cc1OC ZINC000008691972 562963511 /nfs/dbraw/zinc/96/35/11/562963511.db2.gz YRMRRNYGOQLNIB-UHFFFAOYSA-N 0 0 436.489 4.739 50 0 IJAARN Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)s1 ZINC000008773163 562964078 /nfs/dbraw/zinc/96/40/78/562964078.db2.gz LOARSGQKLUDPFO-UHFFFAOYSA-N 0 0 429.592 4.749 50 0 IJAARN CCn1c(SCc2c(F)cccc2Cl)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 ZINC000008831376 562965034 /nfs/dbraw/zinc/96/50/34/562965034.db2.gz MSZMYJJKLAHNMX-UHFFFAOYSA-N 0 0 447.919 4.560 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)N2CCc3ccccc32)c1 ZINC000008860240 562965365 /nfs/dbraw/zinc/96/53/65/562965365.db2.gz ZFIFHCZTRXGWON-UHFFFAOYSA-N 0 0 441.556 4.911 50 0 IJAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)nc2-c2ccc(C)cc2)cc1 ZINC000009516714 562972743 /nfs/dbraw/zinc/97/27/43/562972743.db2.gz RNSSLXLVIQPNDP-RXVVDRJESA-N 0 0 448.592 4.598 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)c3ccccc3n2)cc1OC ZINC000009714422 562975846 /nfs/dbraw/zinc/97/58/46/562975846.db2.gz MTTQKEUKWURFMB-QFIPXVFZSA-N 0 0 445.519 4.545 50 0 IJAARN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCC(c2ccncc2)CC1 ZINC000011821840 562979536 /nfs/dbraw/zinc/97/95/36/562979536.db2.gz WUHRBNYQSDVHPG-UHFFFAOYSA-N 0 0 431.414 4.687 50 0 in-vitro IJAARN Cc1c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)sc2ncnc(NCCc3ccccn3)c12 ZINC000012128509 562980838 /nfs/dbraw/zinc/98/08/38/562980838.db2.gz GVKWKTHLXPBQSA-ROUUACIJSA-N 0 0 435.597 4.702 50 0 IJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000013133491 562985103 /nfs/dbraw/zinc/98/51/03/562985103.db2.gz HCQNFCYRQZFALH-JOCHJYFZSA-N 0 0 435.321 4.941 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000031461815 563083336 /nfs/dbraw/zinc/08/33/36/563083336.db2.gz XOWYDYLXONVLDK-UHFFFAOYSA-N 0 0 435.524 4.670 50 0 IJAARN CC(C)COC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982575 568623018 /nfs/dbraw/zinc/62/30/18/568623018.db2.gz FAJVOJRUVQYTGQ-FCHUYYIVSA-N 0 0 448.966 4.508 50 0 IJAARN Cc1ccc(NCc2nc(SCC(=O)Nc3ccc(C)cc3Br)n[nH]2)cc1 ZINC000000898638 568635183 /nfs/dbraw/zinc/63/51/83/568635183.db2.gz UXBZFLJAUZBCEW-UHFFFAOYSA-N 0 0 446.374 4.527 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000000900248 568636097 /nfs/dbraw/zinc/63/60/97/568636097.db2.gz IVVNAZHRVVWHST-SFHVURJKSA-N 0 0 429.549 4.816 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC000015079540 568636746 /nfs/dbraw/zinc/63/67/46/568636746.db2.gz CCZGHXMRKBNYPN-NSHDSACASA-N 0 0 441.500 4.881 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN31)C(=O)N2 ZINC000000934752 568638787 /nfs/dbraw/zinc/63/87/87/568638787.db2.gz STOVDFZFUJDFKB-ATIYNZHBSA-N 0 0 443.478 4.745 50 0 IJAARN Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000000938204 568639109 /nfs/dbraw/zinc/63/91/09/568639109.db2.gz YUXILVYBWSNVSZ-UHFFFAOYSA-N 0 0 440.124 4.842 50 0 IJAARN CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c1 ZINC000086057595 568642763 /nfs/dbraw/zinc/64/27/63/568642763.db2.gz XHSNGCHBGJIGJK-KRWDZBQOSA-N 0 0 441.940 4.588 50 0 IJAARN Brc1ccc2ncnc(Nc3ccc(I)cc3)c2c1 ZINC000000949371 568644397 /nfs/dbraw/zinc/64/43/97/568644397.db2.gz TWLCIUZUDMHZAV-UHFFFAOYSA-N 0 0 426.055 4.741 50 0 IJAARN CC(C)[C@H](C(=O)O[C@@H]1C(=O)N(C)C(=O)N1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000970419 568647531 /nfs/dbraw/zinc/64/75/31/568647531.db2.gz WNEVEZLPHUGSLH-PKOBYXMFSA-N 0 0 435.307 4.701 50 0 IJAARN CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(OC(F)(F)Cl)cc1 ZINC000000974268 568647721 /nfs/dbraw/zinc/64/77/21/568647721.db2.gz VMAISRFBXPMQCM-UHFFFAOYSA-N 0 0 437.796 4.612 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCc2ccccc2C1 ZINC000000999567 568649795 /nfs/dbraw/zinc/64/97/95/568649795.db2.gz KSWNDYNTPAFSHT-QAPCUYQASA-N 0 0 432.471 4.803 50 0 IJAARN COC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000001018590 568651215 /nfs/dbraw/zinc/65/12/15/568651215.db2.gz FVIMBPVIAIUCQK-BKUYFWCQSA-N 0 0 433.485 4.628 50 0 IJAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cc2c(nc3sccn23)s1 ZINC000025339474 568654248 /nfs/dbraw/zinc/65/42/48/568654248.db2.gz QFYKKSZCFUWIAT-UHFFFAOYSA-N 0 0 445.879 4.520 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 ZINC000001060070 568655181 /nfs/dbraw/zinc/65/51/81/568655181.db2.gz LTIXVNONCOALAI-XMMPIXPASA-N 0 0 427.504 4.953 50 0 biogenic IJAARN O=C1NC(c2cc(I)ccc2Cl)=N/C1=C\c1ccccc1Cl ZINC000001060801 568655738 /nfs/dbraw/zinc/65/57/38/568655738.db2.gz XZXSHFKDAWLUKY-AUWJEWJLSA-N 0 0 443.071 4.516 50 0 IJAARN O=S(=O)(N[C@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001062618 568656019 /nfs/dbraw/zinc/65/60/19/568656019.db2.gz HCPJJJZLHGDBKR-CYBMUJFWSA-N 0 0 443.577 4.839 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000001072147 568657771 /nfs/dbraw/zinc/65/77/71/568657771.db2.gz TVSWEHKEJFBGGR-UHFFFAOYSA-N 0 0 440.487 4.821 50 0 IJAARN O=c1c2ccccc2nc(CSc2nc3c(ccc4nsnc43)[nH]2)n1-c1ccccc1 ZINC000001094955 568658536 /nfs/dbraw/zinc/65/85/36/568658536.db2.gz LVFOKTBNTDHDDJ-UHFFFAOYSA-N 0 0 442.529 4.559 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3Cl)n2)cc1OC ZINC000001158356 568664087 /nfs/dbraw/zinc/66/40/87/568664087.db2.gz HUSMFAFCWKSUIP-UHFFFAOYSA-N 0 0 447.969 4.916 50 0 IJAARN Cc1nc(C(=O)Nc2ccc(Br)cc2C)nn1-c1ccc(OC(F)F)cc1 ZINC000261490527 568734163 /nfs/dbraw/zinc/73/41/63/568734163.db2.gz CXDWTQACPBNCSE-UHFFFAOYSA-N 0 0 437.244 4.500 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc(F)cc3cccnc32)cc1 ZINC000031608026 568740772 /nfs/dbraw/zinc/74/07/72/568740772.db2.gz XIFKYSXCAKJREU-UHFFFAOYSA-N 0 0 440.496 4.757 50 0 IJAARN CCCOC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1cnccn1 ZINC000002104764 568742757 /nfs/dbraw/zinc/74/27/57/568742757.db2.gz CCLRVKVSVMXKIN-UHFFFAOYSA-N 0 0 446.326 4.787 50 0 IJAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003254924 568744112 /nfs/dbraw/zinc/74/41/12/568744112.db2.gz QUCLNQTUATZPAD-UHFFFAOYSA-N 0 0 429.303 4.638 50 0 IJAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000043990340 568745210 /nfs/dbraw/zinc/74/52/10/568745210.db2.gz WPOLUKGGMRWITN-UHFFFAOYSA-N 0 0 430.426 4.734 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=S)N1c1ccc(F)cc1 ZINC000012554027 568746241 /nfs/dbraw/zinc/74/62/41/568746241.db2.gz ZTNRIMCZPFXIJC-JOCHJYFZSA-N 0 0 433.508 4.880 50 0 IJAARN CC(C)C[C@H](C(=O)OCc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O ZINC000003331286 568746242 /nfs/dbraw/zinc/74/62/42/568746242.db2.gz SAXBGTAERWPOHO-HXUWFJFHSA-N 0 0 434.517 4.564 50 0 IJAARN CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc2)no1 ZINC000044095115 568748144 /nfs/dbraw/zinc/74/81/44/568748144.db2.gz UJMCFANBKFTRGZ-UHFFFAOYSA-N 0 0 446.338 4.524 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCCCCC2)n1 ZINC000044170223 568749305 /nfs/dbraw/zinc/74/93/05/568749305.db2.gz NKJPVZXBCBDKFA-UHFFFAOYSA-N 0 0 442.869 4.855 50 0 IJAARN COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1 ZINC000044213867 568749979 /nfs/dbraw/zinc/74/99/79/568749979.db2.gz NDNRTJYEBKFXCG-HNNXBMFYSA-N 0 0 446.532 4.551 50 0 IJAARN COc1cc(-c2cc(C(=O)OCC(=O)C(C)(C)C)c3ccccc3n2)cc(OC)c1OC ZINC000003621646 568751605 /nfs/dbraw/zinc/75/16/05/568751605.db2.gz AIKQCSBCDMASMJ-UHFFFAOYSA-N 0 0 437.492 4.700 50 0 IJAARN Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)/C=C/c2ccc3c(c2)OCO3)CCCCC1 ZINC000003625547 568751822 /nfs/dbraw/zinc/75/18/22/568751822.db2.gz AONICGUONKRBAY-ACCUITESSA-N 0 0 434.536 4.845 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OCCC)cc4)c(=O)n3n2)cc1 ZINC000003649085 568752580 /nfs/dbraw/zinc/75/25/80/568752580.db2.gz HPQGMBRQAREEJT-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)cc(OC)c1OC ZINC000003655414 568752988 /nfs/dbraw/zinc/75/29/88/568752988.db2.gz GRQLJSPWDOLWDT-UHFFFAOYSA-N 0 0 431.444 4.942 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@H](C)CCc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000003765582 568754276 /nfs/dbraw/zinc/75/42/76/568754276.db2.gz DDOGTLPQQQMUGR-HXUWFJFHSA-N 0 0 448.588 4.998 50 0 IJAARN Cc1cccc(N2CC[NH+](Cc3cc(-c4cccs4)ccc3OCC(=O)[O-])CC2)c1C ZINC000299782873 568757346 /nfs/dbraw/zinc/75/73/46/568757346.db2.gz JOCMDQDHOLJTIH-UHFFFAOYSA-N 0 0 436.577 4.818 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cc(F)c(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586977 568760103 /nfs/dbraw/zinc/76/01/03/568760103.db2.gz AOMMXXROKQJOSY-HXUWFJFHSA-N 0 0 439.437 4.840 50 0 IJAARN O=C(CC1(n2cccc2)CCOCC1)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000263587041 568760223 /nfs/dbraw/zinc/76/02/23/568760223.db2.gz BISBMIZZASYVJV-UHFFFAOYSA-N 0 0 425.432 4.531 50 0 IJAARN CSc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015390988 568761390 /nfs/dbraw/zinc/76/13/90/568761390.db2.gz JYSGVLJZAHVNOC-QGZVFWFLSA-N 0 0 439.002 4.634 50 0 IJAARN COc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000015391701 568761791 /nfs/dbraw/zinc/76/17/91/568761791.db2.gz ZOAATQXTDNBVKI-UHFFFAOYSA-N 0 0 428.366 4.636 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1OC ZINC000263615998 568776350 /nfs/dbraw/zinc/77/63/50/568776350.db2.gz GKYUJUBWVRAPEV-MRXNPFEDSA-N 0 0 431.851 4.524 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1OCC ZINC000263616935 568776571 /nfs/dbraw/zinc/77/65/71/568776571.db2.gz LGITXROMZLHPED-LJQANCHMSA-N 0 0 439.487 4.579 50 0 IJAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4cccc(Br)c4)no3)c2CO1 ZINC000263616686 568776740 /nfs/dbraw/zinc/77/67/40/568776740.db2.gz KAWHNKASSLWYOH-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Br)c5)no4)c3CO2)c1 ZINC000263616095 568776871 /nfs/dbraw/zinc/77/68/71/568776871.db2.gz GZJGGINAMIVRPD-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)c1 ZINC000263618738 568777695 /nfs/dbraw/zinc/77/76/95/568777695.db2.gz VGIQZMNMEGFZEM-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1 ZINC000263618961 568777804 /nfs/dbraw/zinc/77/78/04/568777804.db2.gz WGXYNWCPIMFUKY-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)cc3)no2)cc1OCC ZINC000263619680 568778430 /nfs/dbraw/zinc/77/84/30/568778430.db2.gz ZYYMNHGYZSEUAU-HXUWFJFHSA-N 0 0 435.524 4.749 50 0 IJAARN CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000001296354 568778828 /nfs/dbraw/zinc/77/88/28/568778828.db2.gz ZVCIQGRKYAUFKK-OAQYLSRUSA-N 0 0 443.956 4.706 50 0 IJAARN O=C1Nc2c(cccc2Cl)[C@@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032100552 568780366 /nfs/dbraw/zinc/78/03/66/568780366.db2.gz XSXLAFJSBRAARL-LJQANCHMSA-N 0 0 448.788 4.654 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc(-n4cccc4)cc3)C2=O)cc1 ZINC000004124735 568780685 /nfs/dbraw/zinc/78/06/85/568780685.db2.gz SFPSRIDKKOSZBZ-NDEPHWFRSA-N 0 0 436.511 4.793 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000045941957 568783617 /nfs/dbraw/zinc/78/36/17/568783617.db2.gz KERNGIVFDMZFRS-DEOSSOPVSA-N 0 0 443.499 4.843 50 0 IJAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O)C(=O)c1ccccc1 ZINC000001120392 568788008 /nfs/dbraw/zinc/78/80/08/568788008.db2.gz SRDXFGDYXFXOPG-HSZRJFAPSA-N 0 0 441.483 4.922 50 0 IJAARN CCCCSc1nnc(SCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)s1 ZINC000019181700 568789777 /nfs/dbraw/zinc/78/97/77/568789777.db2.gz KEVLTTCLWUOOIN-UHFFFAOYSA-N 0 0 438.644 4.643 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cnc12 ZINC000025901935 568790992 /nfs/dbraw/zinc/79/09/92/568790992.db2.gz IHKPOCUPPRNYFO-VWLOTQADSA-N 0 0 443.572 4.721 50 0 IJAARN CCc1ccccc1Nc1nc(N)nc(CS[C@H](C)C(=O)Nc2ccc(C)cc2C)n1 ZINC000015492947 568792297 /nfs/dbraw/zinc/79/22/97/568792297.db2.gz OKFGMKFWIXAHLY-MRXNPFEDSA-N 0 0 436.585 4.637 50 0 IJAARN CCc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)Nc2ccc(C)cc2C)n1 ZINC000015492946 568792360 /nfs/dbraw/zinc/79/23/60/568792360.db2.gz OKFGMKFWIXAHLY-INIZCTEOSA-N 0 0 436.585 4.637 50 0 IJAARN O=C(Nc1ccccc1Cl)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000001423833 568793540 /nfs/dbraw/zinc/79/35/40/568793540.db2.gz QUKPYWWSTBZKGC-UHFFFAOYSA-N 0 0 427.287 4.916 50 0 IJAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cc(C)n(-c4ccccc4)n3)n2)c1 ZINC000084116922 568793565 /nfs/dbraw/zinc/79/35/65/568793565.db2.gz MCOUXPMNOKFIPN-HSZRJFAPSA-N 0 0 427.508 4.557 50 0 IJAARN COc1ccc([C@@H]2OC(=O)N(CCc3ccc(C)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001428119 568794127 /nfs/dbraw/zinc/79/41/27/568794127.db2.gz YNHZDVCUKAUOMS-AZGAKELHSA-N 0 0 433.504 4.594 50 0 IJAARN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000084367941 568797350 /nfs/dbraw/zinc/79/73/50/568797350.db2.gz WOGOXSFICCYMSS-UHFFFAOYSA-N 0 0 443.828 4.878 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000015618375 568799982 /nfs/dbraw/zinc/79/99/82/568799982.db2.gz IDWABLBHHPRTIZ-BETUJISGSA-N 0 0 442.915 4.822 50 0 IJAARN CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000084750302 568800853 /nfs/dbraw/zinc/80/08/53/568800853.db2.gz WRVGKAIUOYMSEZ-UHFFFAOYSA-N 0 0 438.515 4.853 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)ccc1Cl ZINC000015669112 568801754 /nfs/dbraw/zinc/80/17/54/568801754.db2.gz ANPAGGZQJCGWLX-UHFFFAOYSA-N 0 0 426.948 4.539 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1 ZINC000015675436 568803712 /nfs/dbraw/zinc/80/37/12/568803712.db2.gz IMBPHGMAXSZDTJ-SANMLTNESA-N 0 0 433.552 4.878 50 0 IJAARN Cc1ccc2c(c1)N(CCCC(=O)NCc1cccc(Cl)c1)C(=O)c1cccnc1O2 ZINC000015680045 568805806 /nfs/dbraw/zinc/80/58/06/568805806.db2.gz XPMCTHVJNAMVBL-UHFFFAOYSA-N 0 0 435.911 4.893 50 0 IJAARN O=S(=O)(c1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1)N1CCCCC1 ZINC000015730106 568813941 /nfs/dbraw/zinc/81/39/41/568813941.db2.gz CARZNPGLEQTVAP-UHFFFAOYSA-N 0 0 442.928 4.713 50 0 IJAARN CCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000015731999 568815027 /nfs/dbraw/zinc/81/50/27/568815027.db2.gz SEZAXZQNQBINNX-UHFFFAOYSA-N 0 0 428.583 4.840 50 0 IJAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2OC)c3=O)cc1OC ZINC000001447938 568817283 /nfs/dbraw/zinc/81/72/83/568817283.db2.gz SSIIGYQVQNGEES-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN C[C@@H](C(=O)NN1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085421612 568819651 /nfs/dbraw/zinc/81/96/51/568819651.db2.gz YPIZXQYGXDYESF-ZDUSSCGKSA-N 0 0 435.330 4.761 50 0 IJAARN CCN1c2ccc(NC(=O)c3ccc(I)cc3)c3cccc(c23)C1=O ZINC000001462975 568819864 /nfs/dbraw/zinc/81/98/64/568819864.db2.gz FVSKQVZRFVUDLA-UHFFFAOYSA-N 0 0 442.256 4.677 50 0 IJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(OC)cc3)cc21 ZINC000001463694 568820061 /nfs/dbraw/zinc/82/00/61/568820061.db2.gz PPVWEWOLFGUFCY-UHFFFAOYSA-N 0 0 433.254 4.908 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001465888 568820232 /nfs/dbraw/zinc/82/02/32/568820232.db2.gz VVCCLHNKWGAJIB-UHFFFAOYSA-N 0 0 437.517 4.790 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015777007 568823655 /nfs/dbraw/zinc/82/36/55/568823655.db2.gz OHGOTEPAIRIONR-UHFFFAOYSA-N 0 0 436.552 4.775 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](c4ccccc4)C(=O)N32)cc1 ZINC000015783473 568826776 /nfs/dbraw/zinc/82/67/76/568826776.db2.gz FFQVCUZIAUWFCL-QFIPXVFZSA-N 0 0 440.528 4.698 50 0 IJAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCCCN2CCCc3ccccc32)o1 ZINC000085653651 568832174 /nfs/dbraw/zinc/83/21/74/568832174.db2.gz IUFYJBJMDJGJBZ-UHFFFAOYSA-N 0 0 430.508 4.672 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2cccc(OC)c2)c1C ZINC000085711548 568835330 /nfs/dbraw/zinc/83/53/30/568835330.db2.gz GIPVEMHMCIHNLU-UHFFFAOYSA-N 0 0 434.536 4.702 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)NCCc2ccccc2)C2CCCCC2)c1C ZINC000085712367 568835639 /nfs/dbraw/zinc/83/56/39/568835639.db2.gz LBZTXDKGTNPVFY-UHFFFAOYSA-N 0 0 425.573 4.895 50 0 IJAARN Cc1cc(C)c2[nH]c(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)cc(=O)c2c1 ZINC000015787071 568836435 /nfs/dbraw/zinc/83/64/35/568836435.db2.gz QYTGYBUHVVWSOF-UHFFFAOYSA-N 0 0 440.525 4.680 50 0 IJAARN Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000019288578 568836799 /nfs/dbraw/zinc/83/67/99/568836799.db2.gz ZTVSYYFOJXBPMX-MRXNPFEDSA-N 0 0 448.905 4.689 50 0 IJAARN COc1cccc2cc(-c3ccc(OCC(=O)Nc4cccc5[nH]ccc54)cc3)c(=O)oc21 ZINC000085876685 568838551 /nfs/dbraw/zinc/83/85/51/568838551.db2.gz ACIUNDICORWNQS-UHFFFAOYSA-N 0 0 440.455 4.967 50 0 biogenic IJAARN COC(=O)c1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3cccc(OC)c32)cc1 ZINC000085880058 568839130 /nfs/dbraw/zinc/83/91/30/568839130.db2.gz NCRPHUOJDGUYES-OAQYLSRUSA-N 0 0 442.515 4.802 50 0 biogenic IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccc(C)o3)CC(=O)O4)c2=O)cc1 ZINC000085879852 568839135 /nfs/dbraw/zinc/83/91/35/568839135.db2.gz NTHXEBXJZSNKIR-INIZCTEOSA-N 0 0 432.428 4.820 50 0 biogenic IJAARN COc1ccc(OC)c(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c1 ZINC000015858702 568846736 /nfs/dbraw/zinc/84/67/36/568846736.db2.gz XFZLSUQPGNJVOR-UHFFFAOYSA-N 0 0 425.488 4.804 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)COc2ccc(F)cc2)c1C ZINC000015862478 568848678 /nfs/dbraw/zinc/84/86/78/568848678.db2.gz VWGFHDKLFUZLTQ-UHFFFAOYSA-N 0 0 438.499 4.555 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(F)c2)c1C ZINC000015862527 568848848 /nfs/dbraw/zinc/84/88/48/568848848.db2.gz NJLPOYHCZLEKDW-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN Cc1ccc2[nH]c(CSc3nnc(COc4ccc(Cl)c(C)c4)n3C)cc(=O)c2c1 ZINC000015865313 568850158 /nfs/dbraw/zinc/85/01/58/568850158.db2.gz DWSHDIFHVQIYRK-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015870518 568851965 /nfs/dbraw/zinc/85/19/65/568851965.db2.gz VRINWZYFGQJHFS-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1c(F)cccc1F ZINC000015880669 568854217 /nfs/dbraw/zinc/85/42/17/568854217.db2.gz JQWPJLXAYFAIFC-UHFFFAOYSA-N 0 0 436.871 4.578 50 0 IJAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Br)cc2)o1 ZINC000015881421 568855118 /nfs/dbraw/zinc/85/51/18/568855118.db2.gz GDVJGVGHPMUJGV-UHFFFAOYSA-N 0 0 425.286 4.655 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccn(Cc4c(F)cccc4Cl)c3=O)sc2c1 ZINC000015882799 568857415 /nfs/dbraw/zinc/85/74/15/568857415.db2.gz PIURBWRLEPBHMH-UHFFFAOYSA-N 0 0 427.888 4.860 50 0 IJAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000015912470 568858666 /nfs/dbraw/zinc/85/86/66/568858666.db2.gz DAOPAAYFAYZQMP-UHFFFAOYSA-N 0 0 448.862 4.769 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000015967638 568861331 /nfs/dbraw/zinc/86/13/31/568861331.db2.gz RLTGWMLPCJVTIM-VWNXMTODSA-N 0 0 441.918 4.608 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2F)sc2c1CC[C@H](C)C2 ZINC000016043673 568868621 /nfs/dbraw/zinc/86/86/21/568868621.db2.gz KBGJNWWIRMBKQY-LSDHHAIUSA-N 0 0 432.561 4.648 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000016048018 568869335 /nfs/dbraw/zinc/86/93/35/568869335.db2.gz SYWHSMLGVYWGEE-UHFFFAOYSA-N 0 0 426.494 4.515 50 0 IJAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000016050118 568869427 /nfs/dbraw/zinc/86/94/27/568869427.db2.gz GVBPJPGCWBOJHS-UHFFFAOYSA-N 0 0 428.469 4.514 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012945802 568870952 /nfs/dbraw/zinc/87/09/52/568870952.db2.gz QPGCTJYRYDUISE-SEJPIABJSA-N 0 0 441.666 4.777 50 0 IJAARN CC(=O)N(c1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)s1)C1CC1 ZINC000012949131 568871722 /nfs/dbraw/zinc/87/17/22/568871722.db2.gz DVQPINHEHSFTKB-IBGZPJMESA-N 0 0 442.635 4.856 50 0 IJAARN CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517384 568876662 /nfs/dbraw/zinc/87/66/62/568876662.db2.gz MFRRTMMMZDOFQG-CMJOXMDJSA-N 0 0 434.565 4.749 50 0 IJAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 ZINC000006214034 568880458 /nfs/dbraw/zinc/88/04/58/568880458.db2.gz UYXNDVYEBWAYKC-GIJQJNRQSA-N 0 0 446.359 4.707 50 0 IJAARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000035478503 568882770 /nfs/dbraw/zinc/88/27/70/568882770.db2.gz JCYRQCILXKNNLV-LJQANCHMSA-N 0 0 430.689 4.890 50 0 IJAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2)c1ccoc1 ZINC000090582813 568888119 /nfs/dbraw/zinc/88/81/19/568888119.db2.gz ROXMFWCQNWTVHI-UHFFFAOYSA-N 0 0 437.308 4.885 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2-c2ccc(=O)[nH]n2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090614084 568892542 /nfs/dbraw/zinc/89/25/42/568892542.db2.gz IORRCFZUIFMOOT-UHFFFAOYSA-N 0 0 445.479 4.513 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)c1 ZINC000035514214 568892656 /nfs/dbraw/zinc/89/26/56/568892656.db2.gz ZTHXYONIZVZLNI-UHFFFAOYSA-N 0 0 446.551 4.835 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ncc(Cl)cn32)cc1 ZINC000035622351 568894102 /nfs/dbraw/zinc/89/41/02/568894102.db2.gz PPZOFZLHYGKMKM-UHFFFAOYSA-N 0 0 438.871 4.684 50 0 IJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC[C@@H](C)C1 ZINC000012987890 568895339 /nfs/dbraw/zinc/89/53/39/568895339.db2.gz GXEOWHZEJFBVKS-CABCVRRESA-N 0 0 434.993 4.585 50 0 IJAARN CCOc1cc(/C=C/C(=O)OCCOc2ccc(F)cc2)ccc1OCc1cccnc1 ZINC000040150446 568896646 /nfs/dbraw/zinc/89/66/46/568896646.db2.gz HSFHWRQCYWMOHH-WUXMJOGZSA-N 0 0 437.467 4.834 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)n1 ZINC000013009268 568899737 /nfs/dbraw/zinc/89/97/37/568899737.db2.gz XPXWEDDEEOVCKO-QAPCUYQASA-N 0 0 443.573 4.712 50 0 IJAARN Cc1cc(C)c(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000102995450 568900515 /nfs/dbraw/zinc/90/05/15/568900515.db2.gz BNLRQDJWDQJSLM-LPYMAVHISA-N 0 0 440.499 4.976 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000013012203 568901087 /nfs/dbraw/zinc/90/10/87/568901087.db2.gz SKFAIBCTKBAUAR-UHFFFAOYSA-N 0 0 443.906 4.862 50 0 IJAARN COC(=O)c1ccc(CN(C)Cn2nc(Nc3ccccc3Cl)sc2=S)cc1 ZINC000013018301 568901939 /nfs/dbraw/zinc/90/19/39/568901939.db2.gz OSKGMTCSXAEJKJ-UHFFFAOYSA-N 0 0 434.974 4.947 50 0 IJAARN Cc1cc(O[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)nc(SC(C)C)n1 ZINC000027986133 568905883 /nfs/dbraw/zinc/90/58/83/568905883.db2.gz BXYBXBNDPCSIQP-OAHLLOKOSA-N 0 0 434.776 4.791 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4cccc(Br)c4)c(=O)c23)C1 ZINC000001785005 568907381 /nfs/dbraw/zinc/90/73/81/568907381.db2.gz MPBRCMJVZLUMRG-ZDUSSCGKSA-N 0 0 432.387 4.815 50 0 IJAARN CC(C)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784905 568907517 /nfs/dbraw/zinc/90/75/17/568907517.db2.gz WQYRILYPPSQZMM-OAHLLOKOSA-N 0 0 438.597 4.766 50 0 IJAARN COc1ccc([C@@H](NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)c2nccn2C)cc1 ZINC000016475627 568908839 /nfs/dbraw/zinc/90/88/39/568908839.db2.gz XTILCTPDFHNPNN-SWDTZWKESA-N 0 0 431.467 4.747 50 0 IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000238901817 568910268 /nfs/dbraw/zinc/91/02/68/568910268.db2.gz MXDJBYWEIIEIQR-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1nc(CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@H](C)c2ccc(Cl)cc2)oc1C ZINC000241590540 568912299 /nfs/dbraw/zinc/91/22/99/568912299.db2.gz PFUJMBXTPUXLHG-VOQZNFBZSA-N 0 0 445.991 4.678 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312331 568914856 /nfs/dbraw/zinc/91/48/56/568914856.db2.gz UJXHMWBWBXEYSW-LNRXMEIDSA-N 0 0 448.950 4.779 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245327748 568915070 /nfs/dbraw/zinc/91/50/70/568915070.db2.gz QBIYPRGFEDEOSX-UBFVSLLYSA-N 0 0 442.515 4.835 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC(C)(C)SC4)cc1 ZINC000001812715 568915450 /nfs/dbraw/zinc/91/54/50/568915450.db2.gz JLGXNCAPUZRTAC-UHFFFAOYSA-N 0 0 446.623 4.581 50 0 IJAARN CCCCN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000035745264 568918121 /nfs/dbraw/zinc/91/81/21/568918121.db2.gz MFJSOLFNJMNPFZ-UHFFFAOYSA-N 0 0 434.531 4.622 50 0 IJAARN CCCCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](C)CC ZINC000016498256 568920407 /nfs/dbraw/zinc/92/04/07/568920407.db2.gz KBGSENKZZWDSIJ-KRWDZBQOSA-N 0 0 436.549 4.704 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000089365548 568921147 /nfs/dbraw/zinc/92/11/47/568921147.db2.gz RMADWURTQDKHAY-DHLKQENFSA-N 0 0 431.536 4.811 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(OC)cc1 ZINC000001944054 568923694 /nfs/dbraw/zinc/92/36/94/568923694.db2.gz VKYCETNZGZFFLA-UHFFFAOYSA-N 0 0 425.506 4.926 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)cc1 ZINC000001953701 568923738 /nfs/dbraw/zinc/92/37/38/568923738.db2.gz KVKWXHLYQCGSFV-UHFFFAOYSA-N 0 0 437.927 4.811 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(NC(=O)C3CCCCC3)c2)N2CCCSC2=N1 ZINC000016613776 568925776 /nfs/dbraw/zinc/92/57/76/568925776.db2.gz UXQVALWQBHRJLI-NRFANRHFSA-N 0 0 441.597 4.892 50 0 IJAARN CCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000035807026 568926212 /nfs/dbraw/zinc/92/62/12/568926212.db2.gz VSXNNGQWOXTAPP-UHFFFAOYSA-N 0 0 429.008 4.957 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1 ZINC000064452388 568929228 /nfs/dbraw/zinc/92/92/28/568929228.db2.gz LYRHOWUIIYQDRL-JTHBVZDNSA-N 0 0 444.579 4.931 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452465 568929235 /nfs/dbraw/zinc/92/92/35/568929235.db2.gz XTKRIIHYKJWPLY-KRWDZBQOSA-N 0 0 440.906 4.594 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169421285 568929245 /nfs/dbraw/zinc/92/92/45/568929245.db2.gz DAKMCCBJPKIYFN-UHFFFAOYSA-N 0 0 435.954 4.541 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl ZINC000064452457 568929258 /nfs/dbraw/zinc/92/92/58/568929258.db2.gz ILCNZOLHOUYXQU-INIZCTEOSA-N 0 0 438.915 4.786 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCc2cccc(Cl)c2)C1 ZINC000064452487 568929396 /nfs/dbraw/zinc/92/93/96/568929396.db2.gz CESPADWUMJBMTP-IBGZPJMESA-N 0 0 436.943 4.764 50 0 IJAARN O=C(NOCc1ccccc1)c1cc2cc(Br)cc(Br)c2o1 ZINC000064486617 568930939 /nfs/dbraw/zinc/93/09/39/568930939.db2.gz SLAIRGFBPJKQNH-UHFFFAOYSA-N 0 0 425.076 4.819 50 0 IJAARN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064558276 568932134 /nfs/dbraw/zinc/93/21/34/568932134.db2.gz GEQFUPGUEHVMTO-JOCHJYFZSA-N 0 0 433.529 4.630 50 0 IJAARN Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000064565805 568932603 /nfs/dbraw/zinc/93/26/03/568932603.db2.gz BZLBLMKYDFCORM-UHFFFAOYSA-N 0 0 428.895 4.520 50 0 IJAARN Cc1ccc(C)c(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c1 ZINC000064593856 568936268 /nfs/dbraw/zinc/93/62/68/568936268.db2.gz RSTAYFBSCGEEFI-UHFFFAOYSA-N 0 0 441.354 4.552 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccc(C)cc2)o1 ZINC000027026422 568939417 /nfs/dbraw/zinc/93/94/17/568939417.db2.gz OIJHFQXJQWDZFF-IBGZPJMESA-N 0 0 435.804 4.613 50 0 IJAARN COP(=O)(OC)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(-c2ccc(C)cc2)o1 ZINC000027026416 568939435 /nfs/dbraw/zinc/93/94/35/568939435.db2.gz OIJHFQXJQWDZFF-LJQANCHMSA-N 0 0 435.804 4.613 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000064667946 568942925 /nfs/dbraw/zinc/94/29/25/568942925.db2.gz IHBLHALPECSXEN-QGZVFWFLSA-N 0 0 439.625 4.974 50 0 IJAARN CCN1c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccccc3)cc2Sc2ccccc2C1=O ZINC000064666653 568942969 /nfs/dbraw/zinc/94/29/69/568942969.db2.gz MWFNMXIOJVFYGU-MRXNPFEDSA-N 0 0 445.544 4.575 50 0 IJAARN Cc1ccc(CNC(=O)CCc2c(-c3ccc(Br)cc3)nc3ccccn32)o1 ZINC000064675780 568943847 /nfs/dbraw/zinc/94/38/47/568943847.db2.gz BLVUUCKPNWTHRH-UHFFFAOYSA-N 0 0 438.325 4.914 50 0 IJAARN Cc1cc2nc(C(=O)OC(C)C)c(N3CCN(c4cccc(Cl)c4)CC3)nc2cc1C ZINC000064690586 568944165 /nfs/dbraw/zinc/94/41/65/568944165.db2.gz SLGVZQNRXYKANK-UHFFFAOYSA-N 0 0 438.959 4.792 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(F)cc5)n4ccn3n2)cc1C ZINC000064712490 568945047 /nfs/dbraw/zinc/94/50/47/568945047.db2.gz BSVSFKSQCBARNU-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5F)n4ccn3n2)cc1C ZINC000064712488 568945071 /nfs/dbraw/zinc/94/50/71/568945071.db2.gz ACSXMTHDONUUBO-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN CCOc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)cc1 ZINC000036063939 568945084 /nfs/dbraw/zinc/94/50/84/568945084.db2.gz VPUOFJFTKSAJIM-GOSISDBHSA-N 0 0 425.529 4.643 50 0 IJAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000036067057 568945128 /nfs/dbraw/zinc/94/51/28/568945128.db2.gz YZYPHAJYXUAQBJ-HSZRJFAPSA-N 0 0 428.960 4.505 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)c1 ZINC000064728489 568945701 /nfs/dbraw/zinc/94/57/01/568945701.db2.gz BHCMHODRZARDPT-UHFFFAOYSA-N 0 0 438.579 4.614 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073433 568945825 /nfs/dbraw/zinc/94/58/25/568945825.db2.gz BRQRNYMJLMENBN-OAQYLSRUSA-N 0 0 433.552 4.527 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083671 568947473 /nfs/dbraw/zinc/94/74/73/568947473.db2.gz QDQSUQTWBWPKST-QFIPXVFZSA-N 0 0 442.943 4.939 50 0 IJAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000064747399 568949974 /nfs/dbraw/zinc/94/99/74/568949974.db2.gz BAMMJQXMIZCNLO-KRWDZBQOSA-N 0 0 428.876 4.776 50 0 IJAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)Nc1ccc(Cl)cc1F ZINC000064759244 568951839 /nfs/dbraw/zinc/95/18/39/568951839.db2.gz WJTVXEWAIASTOJ-UHFFFAOYSA-N 0 0 439.878 4.638 50 0 IJAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106537 568953722 /nfs/dbraw/zinc/95/37/22/568953722.db2.gz GIEYMSFSIXWAAK-UHFFFAOYSA-N 0 0 440.565 4.718 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2csc(COc3cccc(C)c3)n2)C(C)C)cc1 ZINC000036115324 568955266 /nfs/dbraw/zinc/95/52/66/568955266.db2.gz ZRAULRRTXWRNIR-UHFFFAOYSA-N 0 0 446.594 4.638 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036115679 568955598 /nfs/dbraw/zinc/95/55/98/568955598.db2.gz AHIBCXGEXIFRFR-IBGZPJMESA-N 0 0 434.989 4.553 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(C)=O ZINC000036116116 568955608 /nfs/dbraw/zinc/95/56/08/568955608.db2.gz VIBOKPATQXTRFP-IIBYNOLFSA-N 0 0 449.016 4.862 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(C)C ZINC000036116100 568955616 /nfs/dbraw/zinc/95/56/16/568955616.db2.gz DJYXFYVRPKUTML-FQEVSTJZSA-N 0 0 449.016 4.862 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)CC ZINC000036118797 568956091 /nfs/dbraw/zinc/95/60/91/568956091.db2.gz LSIBANMSICZOFG-FQEVSTJZSA-N 0 0 428.598 4.518 50 0 IJAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(C)=O ZINC000036119068 568956124 /nfs/dbraw/zinc/95/61/24/568956124.db2.gz MDPLWXHGRUKPBX-JTSKRJEESA-N 0 0 442.625 4.764 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)CC(C)C ZINC000036120020 568956989 /nfs/dbraw/zinc/95/69/89/568956989.db2.gz QFOBWYUIWWEGKV-JOCHJYFZSA-N 0 0 442.625 4.846 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@H](C)CC ZINC000036119909 568957031 /nfs/dbraw/zinc/95/70/31/568957031.db2.gz IDQZTCXMXZTNBW-WIYYLYMNSA-N 0 0 428.598 4.598 50 0 IJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120275 568957150 /nfs/dbraw/zinc/95/71/50/568957150.db2.gz MNPASWMNRXMVNB-FQEVSTJZSA-N 0 0 446.588 4.533 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C(=O)CC(C)C ZINC000036120527 568957281 /nfs/dbraw/zinc/95/72/81/568957281.db2.gz JJPRZTOGQCOLIS-FQEVSTJZSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000036121672 568957972 /nfs/dbraw/zinc/95/79/72/568957972.db2.gz SKFSZAYMMKIGTO-LAUBAEHRSA-N 0 0 446.588 4.677 50 0 IJAARN Cc1cc(Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791587 568959034 /nfs/dbraw/zinc/95/90/34/568959034.db2.gz RFDIZOTVHUMNCJ-UHFFFAOYSA-N 0 0 439.454 4.630 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000064800277 568961309 /nfs/dbraw/zinc/96/13/09/568961309.db2.gz SHIRPJHSMWWNFY-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147213 568962392 /nfs/dbraw/zinc/96/23/92/568962392.db2.gz BEOUDJBUXCHTII-RPBOFIJWSA-N 0 0 448.538 4.569 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@H](C)c2cccc(OC)c2)cc1 ZINC000036148899 568962782 /nfs/dbraw/zinc/96/27/82/568962782.db2.gz WUOOIUMNDVLRBC-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000064815746 568963463 /nfs/dbraw/zinc/96/34/63/568963463.db2.gz MVLAZUIMNVOVQT-RUZDIDTESA-N 0 0 448.592 4.706 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)c1C ZINC000064815876 568963705 /nfs/dbraw/zinc/96/37/05/568963705.db2.gz NTXPAXOMBJJQIN-DEOSSOPVSA-N 0 0 436.581 4.562 50 0 IJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC(C)(C)C ZINC000064815878 568963708 /nfs/dbraw/zinc/96/37/08/568963708.db2.gz WCQIXXKABUMXDR-DEOSSOPVSA-N 0 0 436.581 4.508 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)Nc2ccccc2)C1=O ZINC000036151461 568964133 /nfs/dbraw/zinc/96/41/33/568964133.db2.gz DXABNGDXFKAZMZ-RUZDIDTESA-N 0 0 429.545 4.976 50 0 IJAARN COC(=O)C[C@H](N[C@H]1c2ccccc2C(=O)N1[C@H](C)c1ccccc1)c1cccc(F)c1 ZINC000036154242 568964171 /nfs/dbraw/zinc/96/41/71/568964171.db2.gz NXBINCCJBLFLIN-WSNNEZGNSA-N 0 0 432.495 4.935 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)Nc2ccccc2)C1=O ZINC000036151465 568964254 /nfs/dbraw/zinc/96/42/54/568964254.db2.gz DXABNGDXFKAZMZ-VWLOTQADSA-N 0 0 429.545 4.976 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819153 568966067 /nfs/dbraw/zinc/96/60/67/568966067.db2.gz IJKSXWCKKCTIEV-UHFFFAOYSA-N 0 0 449.864 4.965 50 0 IJAARN CCNC(=O)N1CC(C)(C)S[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1C)C2=O ZINC000036155870 568966412 /nfs/dbraw/zinc/96/64/12/568966412.db2.gz VFILKMGFNNHMLI-HSZRJFAPSA-N 0 0 444.000 4.905 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036161909 568967833 /nfs/dbraw/zinc/96/78/33/568967833.db2.gz BTDJDJXQNJFFLW-VWLOTQADSA-N 0 0 445.544 4.676 50 0 IJAARN Cc1ccccc1C(=O)N1CCS[C@@]12c1ccccc1N(Cc1cccc(F)c1)C2=O ZINC000036164582 568968038 /nfs/dbraw/zinc/96/80/38/568968038.db2.gz YSIZVJFBNKGYKS-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)c1 ZINC000036164497 568968085 /nfs/dbraw/zinc/96/80/85/568968085.db2.gz FGWVEQQOBLBMLH-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)c3ccco3)C2=O)cc1 ZINC000036165600 568968398 /nfs/dbraw/zinc/96/83/98/568968398.db2.gz YEPUGCXXXSWEBK-QHCPKHFHSA-N 0 0 438.936 4.830 50 0 IJAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)c3ccccc3C(F)(F)F)no2)c1 ZINC000064841145 568970135 /nfs/dbraw/zinc/97/01/35/568970135.db2.gz FOKOAEKTMOZBJX-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842802 568971006 /nfs/dbraw/zinc/97/10/06/568971006.db2.gz OMZYCYQYJQGEAZ-FQEVSTJZSA-N 0 0 446.507 4.575 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1-c1ccno1 ZINC000064845061 568972007 /nfs/dbraw/zinc/97/20/07/568972007.db2.gz MBDCYVFBQMMHQA-UHFFFAOYSA-N 0 0 431.308 4.722 50 0 IJAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862087 568973816 /nfs/dbraw/zinc/97/38/16/568973816.db2.gz GGIUDJPEMIOGAD-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN CCc1ccccc1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867107 568975037 /nfs/dbraw/zinc/97/50/37/568975037.db2.gz ZSPYCSPYHNIMOO-UHFFFAOYSA-N 0 0 426.538 4.632 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(OCC)cc2)=Nc2ccccc2N1 ZINC000064869703 568976311 /nfs/dbraw/zinc/97/63/11/568976311.db2.gz LDAFLCTZHUHTRW-UHFFFAOYSA-N 0 0 439.537 4.750 50 0 IJAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000036214014 568977085 /nfs/dbraw/zinc/97/70/85/568977085.db2.gz HGNFQLLCMVHBRO-INIZCTEOSA-N 0 0 442.544 4.962 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873384 568978291 /nfs/dbraw/zinc/97/82/91/568978291.db2.gz CXGXJPQPXMZHSR-UHFFFAOYSA-N 0 0 443.478 4.820 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3cccc(C)c3)c2C(C)C)C1 ZINC000006771031 568981842 /nfs/dbraw/zinc/98/18/42/568981842.db2.gz WKEBJWGWUIYNGH-LJQANCHMSA-N 0 0 425.573 4.843 50 0 IJAARN COc1ccc(N([C@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000036247718 568982433 /nfs/dbraw/zinc/98/24/33/568982433.db2.gz ARKMSXNINXGIEB-GOSISDBHSA-N 0 0 438.549 4.919 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@H](C)c2ccccc2)cc1 ZINC000036247653 568982446 /nfs/dbraw/zinc/98/24/46/568982446.db2.gz KNQUXHBYQWTSBN-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN COc1cccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(C)c(F)c2)c1 ZINC000036248343 568982580 /nfs/dbraw/zinc/98/25/80/568982580.db2.gz GQTZNQGSKDZYAF-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248232 568982604 /nfs/dbraw/zinc/98/26/04/568982604.db2.gz SNLMGIFUUYYLAO-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036249211 568983212 /nfs/dbraw/zinc/98/32/12/568983212.db2.gz FGPRFLBDEBXMDH-KRWDZBQOSA-N 0 0 429.536 4.635 50 0 IJAARN COc1cccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2cccc(C)c2)c1 ZINC000036248652 568983416 /nfs/dbraw/zinc/98/34/16/568983416.db2.gz DBAHEBFVZSEVLK-SFHVURJKSA-N 0 0 441.549 4.977 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929084 568987437 /nfs/dbraw/zinc/98/74/37/568987437.db2.gz AVEOHNMVRCSSCK-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)s1 ZINC000064930339 568988633 /nfs/dbraw/zinc/98/86/33/568988633.db2.gz WJOUCJGUWXGMEV-INIZCTEOSA-N 0 0 445.907 4.952 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3cc(F)ccc3F)s2)cc1 ZINC000064930630 568989037 /nfs/dbraw/zinc/98/90/37/568989037.db2.gz OYXRFGYWPJMGCR-KRWDZBQOSA-N 0 0 443.479 4.746 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1C ZINC000064930799 568989246 /nfs/dbraw/zinc/98/92/46/568989246.db2.gz IJQVNECEVUEGKR-SFHVURJKSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944210 568993290 /nfs/dbraw/zinc/99/32/90/568993290.db2.gz SLBYIAVIHNUSKV-UHFFFAOYSA-N 0 0 431.562 4.645 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c(C)c1 ZINC000064944400 568993367 /nfs/dbraw/zinc/99/33/67/568993367.db2.gz BBWAWNGMJFCCSM-ZDUSSCGKSA-N 0 0 441.626 4.979 50 0 IJAARN O=C(CSc1nc2ccccc2n2c(-c3ccccc3)nnc12)Nc1ccc(F)cc1 ZINC000064949323 568994971 /nfs/dbraw/zinc/99/49/71/568994971.db2.gz LJHNSLZMDPICAY-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN CCOc1ccc(-n2nc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 ZINC000064949810 568995397 /nfs/dbraw/zinc/99/53/97/568995397.db2.gz RWVYJFYSQZHFTI-UHFFFAOYSA-N 0 0 440.459 4.510 50 0 IJAARN CCOc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949981 568995449 /nfs/dbraw/zinc/99/54/49/568995449.db2.gz ONNDRPUSVHLZCH-UHFFFAOYSA-N 0 0 428.423 4.641 50 0 IJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COC(C)C)C1CC1 ZINC000036308450 568996402 /nfs/dbraw/zinc/99/64/02/568996402.db2.gz YHCJDIDZHCKNON-HSZRJFAPSA-N 0 0 435.568 4.723 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(OC)cc1 ZINC000036312544 568997843 /nfs/dbraw/zinc/99/78/43/568997843.db2.gz HBVFYQIJTTVJMH-UHFFFAOYSA-N 0 0 449.551 4.629 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccc(F)cc2)C(=O)C2CC2)c1 ZINC000036314311 568998261 /nfs/dbraw/zinc/99/82/61/568998261.db2.gz RODYXOUKBZPYQP-UHFFFAOYSA-N 0 0 449.526 4.565 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2ccc(F)cc2F)c1C ZINC000064967562 569001228 /nfs/dbraw/zinc/00/12/28/569001228.db2.gz ZCTRGAYPJUNNKR-UHFFFAOYSA-N 0 0 443.841 4.782 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(C)o1 ZINC000064977474 569077176 /nfs/dbraw/zinc/07/71/76/569077176.db2.gz UJGQBRBFJLMNCH-UHFFFAOYSA-N 0 0 426.476 4.573 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4ccc(Br)cc4)ccc32)c1 ZINC000064978306 569077848 /nfs/dbraw/zinc/07/78/48/569077848.db2.gz MASHWGIXHJHWMP-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN CCCn1nnc2cc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000064979951 569078249 /nfs/dbraw/zinc/07/82/49/569078249.db2.gz FZSRIBIDMOBSDZ-UHFFFAOYSA-N 0 0 428.452 4.712 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN2CCC(C)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343930 569079821 /nfs/dbraw/zinc/07/98/21/569079821.db2.gz ZZJUTFXJUPDTIS-JOCHJYFZSA-N 0 0 425.960 4.758 50 0 IJAARN CCN(C)S(=O)(=O)c1cc2c(cc1Oc1ccccc1)Oc1ccc(C)cc1NC2=O ZINC000064986788 569082312 /nfs/dbraw/zinc/08/23/12/569082312.db2.gz YHALGWMCWZZSST-UHFFFAOYSA-N 0 0 438.505 4.786 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1)n1c2ccccc2nc(N(C(C)=O)C2CCCCC2)c1=O ZINC000064987685 569082667 /nfs/dbraw/zinc/08/26/67/569082667.db2.gz SPSVBLPBBRFISZ-JOCHJYFZSA-N 0 0 446.551 4.672 50 0 IJAARN COc1ccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)o2)cc1 ZINC000064987806 569082822 /nfs/dbraw/zinc/08/28/22/569082822.db2.gz BSOOPTSWNOCGFR-UHFFFAOYSA-N 0 0 447.944 4.630 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3C[C@H]2C)cc1 ZINC000064990210 569083269 /nfs/dbraw/zinc/08/32/69/569083269.db2.gz KPAQFWGXEHWTQF-LJQANCHMSA-N 0 0 428.532 4.536 50 0 biogenic IJAARN CCOc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990744 569083444 /nfs/dbraw/zinc/08/34/44/569083444.db2.gz PEUIUSRGZLQKJU-UHFFFAOYSA-N 0 0 445.519 4.619 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(C)ccc4OC)cc32)cc1 ZINC000064990780 569083463 /nfs/dbraw/zinc/08/34/63/569083463.db2.gz MNRRWYDEMMUVKE-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN O=C1COc2cc(Cl)ccc2N1Cc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000064999176 569085648 /nfs/dbraw/zinc/08/56/48/569085648.db2.gz DYNFVSSJJPPOTO-UHFFFAOYSA-N 0 0 447.878 4.895 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)N3CCCCCC3)c2C1 ZINC000065000855 569085997 /nfs/dbraw/zinc/08/59/97/569085997.db2.gz AFRJXGNADBKWPL-UHFFFAOYSA-N 0 0 426.944 4.662 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)N3CCc4ccccc43)c2C1 ZINC000065000947 569086170 /nfs/dbraw/zinc/08/61/70/569086170.db2.gz VJZYFXYGBFZDRX-UHFFFAOYSA-N 0 0 446.934 4.849 50 0 IJAARN Cc1nn([C@@H](C)c2nn3c(nnc3-c3cc(Cl)ccc3F)s2)cc1Br ZINC000036359953 569086540 /nfs/dbraw/zinc/08/65/40/569086540.db2.gz OKUNXQVWZMZHRF-QMMMGPOBSA-N 0 0 441.717 4.522 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCC3)c2oc1C(=O)N1CCCCC1 ZINC000065010596 569088273 /nfs/dbraw/zinc/08/82/73/569088273.db2.gz OPWRXYRGRZMXBF-UHFFFAOYSA-N 0 0 432.586 4.595 50 0 IJAARN Cc1nc2sc([C@@H](c3cccc(Br)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036370387 569088558 /nfs/dbraw/zinc/08/85/58/569088558.db2.gz WYPPPDHNUJGYLT-BFQNTYOBSA-N 0 0 435.391 4.635 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(OCc2cc(C(=O)NCCCc3ccccc3)no2)cc1 ZINC000065027268 569090286 /nfs/dbraw/zinc/09/02/86/569090286.db2.gz GQLRKTYUZPDYTD-UHFFFAOYSA-N 0 0 435.524 4.601 50 0 IJAARN COc1ccccc1CNC(=O)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025073 569090404 /nfs/dbraw/zinc/09/04/04/569090404.db2.gz OOIKYMWUEPNBTM-UHFFFAOYSA-N 0 0 430.508 4.695 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OCC(N)=O)c3c2)c1 ZINC000065034009 569091766 /nfs/dbraw/zinc/09/17/66/569091766.db2.gz SLMYVWIUMBXLON-UHFFFAOYSA-N 0 0 445.906 4.980 50 0 IJAARN CCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)C(F)(F)F)cc21 ZINC000065034284 569091818 /nfs/dbraw/zinc/09/18/18/569091818.db2.gz CJTNSXUEZJBGHL-UHFFFAOYSA-N 0 0 432.398 4.653 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000169754409 569093833 /nfs/dbraw/zinc/09/38/33/569093833.db2.gz QBDZFGMUSSCWIE-UHFFFAOYSA-N 0 0 449.938 4.727 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1 ZINC000169759768 569094668 /nfs/dbraw/zinc/09/46/68/569094668.db2.gz PSVCQPUTVNMRBI-QFIPXVFZSA-N 0 0 441.915 4.858 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 ZINC000169759769 569094698 /nfs/dbraw/zinc/09/46/98/569094698.db2.gz PSVCQPUTVNMRBI-JOCHJYFZSA-N 0 0 441.915 4.858 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3cccc(C(F)(F)F)c3)nc(N3CCC(C)CC3)c12 ZINC000065056369 569094760 /nfs/dbraw/zinc/09/47/60/569094760.db2.gz SXTYCLCYHXBHSW-UHFFFAOYSA-N 0 0 447.461 4.753 50 0 IJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000065058707 569095574 /nfs/dbraw/zinc/09/55/74/569095574.db2.gz YCTBKKNTWKWLLF-JOCHJYFZSA-N 0 0 444.373 4.708 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(Br)cc2F)C1 ZINC000065059159 569095923 /nfs/dbraw/zinc/09/59/23/569095923.db2.gz WQKRKEPAICEZFQ-OAQYLSRUSA-N 0 0 448.336 4.539 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1OC ZINC000065063042 569097702 /nfs/dbraw/zinc/09/77/02/569097702.db2.gz OGHJPPZTCUCMBK-UHFFFAOYSA-N 0 0 435.505 4.802 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000036392535 569098343 /nfs/dbraw/zinc/09/83/43/569098343.db2.gz KDGISINFUQNJDJ-OAHLLOKOSA-N 0 0 441.837 4.523 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000065075157 569099511 /nfs/dbraw/zinc/09/95/11/569099511.db2.gz PKYMUDDAVYBIAQ-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000065075153 569099567 /nfs/dbraw/zinc/09/95/67/569099567.db2.gz UGSKBYYILGHEPS-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)no2)c1 ZINC000065076916 569099832 /nfs/dbraw/zinc/09/98/32/569099832.db2.gz AUEXUFWRBXNHMR-UHFFFAOYSA-N 0 0 431.414 4.784 50 0 IJAARN COc1ccc(CNC(=O)c2ncoc2-c2ccccc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000065080136 569101240 /nfs/dbraw/zinc/10/12/40/569101240.db2.gz JXLPFZIJJHABRT-UHFFFAOYSA-N 0 0 441.487 4.841 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4ccccc4F)C3)sc12 ZINC000065081270 569101424 /nfs/dbraw/zinc/10/14/24/569101424.db2.gz OMYBYYFLTIRCPG-INIZCTEOSA-N 0 0 435.528 4.785 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CO3)c1 ZINC000065082101 569102026 /nfs/dbraw/zinc/10/20/26/569102026.db2.gz IYANKSBNHTVMML-HYBUGGRVSA-N 0 0 442.559 4.936 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NCCCc2ccccc2)CO3)cc1 ZINC000065081773 569102088 /nfs/dbraw/zinc/10/20/88/569102088.db2.gz XEQXWHROTLNJML-QHCPKHFHSA-N 0 0 428.532 4.547 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1F)CO2)c1ccc(Cl)cc1 ZINC000065082859 569102470 /nfs/dbraw/zinc/10/24/70/569102470.db2.gz JUJAIBYWLICOKM-SFHVURJKSA-N 0 0 438.886 4.599 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082820 569102483 /nfs/dbraw/zinc/10/24/83/569102483.db2.gz NEHGCPUMJYUHKK-GOSISDBHSA-N 0 0 426.944 4.982 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCC1CCCCC1)CO2)c1cccc(Cl)c1 ZINC000065082808 569102487 /nfs/dbraw/zinc/10/24/87/569102487.db2.gz BFXACVOIFMENBT-LJQANCHMSA-N 0 0 426.944 4.840 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2cccnc2)c1 ZINC000065095876 569103541 /nfs/dbraw/zinc/10/35/41/569103541.db2.gz IVHPBPAECRKDOG-UHFFFAOYSA-N 0 0 435.890 4.614 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)c(Br)c1 ZINC000065098713 569104185 /nfs/dbraw/zinc/10/41/85/569104185.db2.gz RQFPCMKKWRTWNT-UHFFFAOYSA-N 0 0 440.344 4.547 50 0 IJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000065102400 569106005 /nfs/dbraw/zinc/10/60/05/569106005.db2.gz JSEVZZGMMUWGAU-UHFFFAOYSA-N 0 0 434.515 4.503 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)cc1F ZINC000065102395 569106055 /nfs/dbraw/zinc/10/60/55/569106055.db2.gz WJNUMQUAFGOAFH-UHFFFAOYSA-N 0 0 436.487 4.580 50 0 IJAARN O=C(NCc1ccccc1Cl)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102605 569106107 /nfs/dbraw/zinc/10/61/07/569106107.db2.gz QXSLEWKFAUENQP-UHFFFAOYSA-N 0 0 438.984 4.814 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c1 ZINC000065111004 569106235 /nfs/dbraw/zinc/10/62/35/569106235.db2.gz UTLJADRNXNRWDX-MRXNPFEDSA-N 0 0 439.537 4.564 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(C)cc4C)CC3)n2)c1 ZINC000065111440 569106506 /nfs/dbraw/zinc/10/65/06/569106506.db2.gz VZWSBPKZGKBRKN-UHFFFAOYSA-N 0 0 432.524 4.722 50 0 IJAARN Cc1ccc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000065115069 569106574 /nfs/dbraw/zinc/10/65/74/569106574.db2.gz PSZIFPZZOJYRRK-UHFFFAOYSA-N 0 0 432.593 4.975 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)no2)cc1 ZINC000065111940 569107773 /nfs/dbraw/zinc/10/77/73/569107773.db2.gz KPCOECSKHCUWLT-UHFFFAOYSA-N 0 0 439.581 4.847 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21 ZINC000065113456 569108376 /nfs/dbraw/zinc/10/83/76/569108376.db2.gz HQPFFXMVWZGNRW-UHFFFAOYSA-N 0 0 432.911 4.800 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)CCC3)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065133952 569110072 /nfs/dbraw/zinc/11/00/72/569110072.db2.gz SHHABMIXTKPWNP-UHFFFAOYSA-N 0 0 427.426 4.977 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CSc1cc(N2CCCC[C@@H]2C)ncn1 ZINC000065133547 569110079 /nfs/dbraw/zinc/11/00/79/569110079.db2.gz MXUXQXALEYTZBM-AWEZNQCLSA-N 0 0 435.391 4.657 50 0 IJAARN Cc1cc(OCC(=O)N[C@@H]2CCc3ccccc32)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134159 569110153 /nfs/dbraw/zinc/11/01/53/569110153.db2.gz AYNMIGKFWHQNAQ-LJQANCHMSA-N 0 0 427.426 4.653 50 0 IJAARN O=C(CSc1nccc(N2CCC(Cc3ccccc3)CC2)n1)Nc1ccc(F)cc1 ZINC000065151330 569111738 /nfs/dbraw/zinc/11/17/38/569111738.db2.gz GZKRERYOHBDZSY-UHFFFAOYSA-N 0 0 436.556 4.806 50 0 IJAARN CCOc1ccc(-c2nc(CN3c4ccccc4[C@](O)(c4ccccc4)C3=O)c(C)o2)cc1 ZINC000065155765 569111880 /nfs/dbraw/zinc/11/18/80/569111880.db2.gz GTWCCTQKGJZOIQ-HHHXNRCGSA-N 0 0 440.499 4.831 50 0 IJAARN Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)n2)c1 ZINC000065184133 569113932 /nfs/dbraw/zinc/11/39/32/569113932.db2.gz JHRJHKDMMIXPLT-UHFFFAOYSA-N 0 0 444.457 4.882 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)cc1)N1CCCCC1 ZINC000065178510 569114442 /nfs/dbraw/zinc/11/44/42/569114442.db2.gz FZFFWPZCTNBRHR-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)cc1)N1CCCC1 ZINC000065178679 569114477 /nfs/dbraw/zinc/11/44/77/569114477.db2.gz WXPXWAZUPVSPAL-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000065194788 569114831 /nfs/dbraw/zinc/11/48/31/569114831.db2.gz NDKADZMJRWULHE-UHFFFAOYSA-N 0 0 434.418 4.960 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O ZINC000065232500 569119113 /nfs/dbraw/zinc/11/91/13/569119113.db2.gz SNDZKJQDKCLFGP-UHFFFAOYSA-N 0 0 436.562 4.605 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000036616383 569122872 /nfs/dbraw/zinc/12/28/72/569122872.db2.gz MKVMRPYLHCMEFS-UHFFFAOYSA-N 0 0 428.492 4.876 50 0 IJAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nn(C)c(C)c3Cl)c12 ZINC000036616842 569122884 /nfs/dbraw/zinc/12/28/84/569122884.db2.gz NVMLBDJOHPTCSW-UHFFFAOYSA-N 0 0 434.931 4.613 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1OC ZINC000036613355 569123825 /nfs/dbraw/zinc/12/38/25/569123825.db2.gz XXSXELUFJQSWHD-CQSZACIVSA-N 0 0 435.455 4.846 50 0 IJAARN CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C)c1ccc(OC)cc1 ZINC000036613399 569123839 /nfs/dbraw/zinc/12/38/39/569123839.db2.gz WTLFBAMXHBUVSN-JOCHJYFZSA-N 0 0 430.508 4.534 50 0 IJAARN O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000036613861 569123960 /nfs/dbraw/zinc/12/39/60/569123960.db2.gz NYOPMSMLOWTMMX-UHFFFAOYSA-N 0 0 432.540 4.872 50 0 IJAARN CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Sc2ncccc2C1=O ZINC000065258513 569124412 /nfs/dbraw/zinc/12/44/12/569124412.db2.gz RSODFCLYLGSZCJ-UHFFFAOYSA-N 0 0 439.924 4.884 50 0 IJAARN CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000013129008 569125286 /nfs/dbraw/zinc/12/52/86/569125286.db2.gz DGUUXWAOZKXCRB-UHFFFAOYSA-N 0 0 447.874 4.743 50 0 IJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CNc2cccc(F)c2)cc1OC ZINC000013127739 569125287 /nfs/dbraw/zinc/12/52/87/569125287.db2.gz OHUKYYGIBCBZQR-LJQANCHMSA-N 0 0 439.512 4.694 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000007059460 569128251 /nfs/dbraw/zinc/12/82/51/569128251.db2.gz ZQQYJBOQBVGPFO-WMZOPIPTSA-N 0 0 432.402 4.510 50 0 IJAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1ccc(Cl)s1 ZINC000065272404 569128977 /nfs/dbraw/zinc/12/89/77/569128977.db2.gz ULWLVNSKPJLSIH-UHFFFAOYSA-N 0 0 430.892 4.630 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccn2c(c1)nnc2-c1ccccc1Cl ZINC000065296378 569131626 /nfs/dbraw/zinc/13/16/26/569131626.db2.gz CFPXYMASUPPWON-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)n1 ZINC000065301442 569132382 /nfs/dbraw/zinc/13/23/82/569132382.db2.gz KKNVSYVUEZZZIG-CQSZACIVSA-N 0 0 426.561 4.795 50 0 IJAARN O=C(CCC1CCCC1)N1CCC(c2ccn3ncc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000065315646 569134277 /nfs/dbraw/zinc/13/42/77/569134277.db2.gz WBDVVSCQKAHGLH-UHFFFAOYSA-N 0 0 436.600 4.637 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 ZINC000036705514 569134367 /nfs/dbraw/zinc/13/43/67/569134367.db2.gz XBEKDRPSEZGBKQ-UHFFFAOYSA-N 0 0 448.914 4.855 50 0 IJAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036702531 569135584 /nfs/dbraw/zinc/13/55/84/569135584.db2.gz AZBVIBCEJQXSDJ-ZNKOEICNSA-N 0 0 448.529 4.572 50 0 IJAARN Cc1nc2cc(NC(=O)C3CCN(CC(=O)Nc4cc(C)cc(C)c4)CC3)ccc2s1 ZINC000036709226 569136202 /nfs/dbraw/zinc/13/62/02/569136202.db2.gz HCCVQWCBYLOPTR-UHFFFAOYSA-N 0 0 436.581 4.511 50 0 IJAARN CN(Cc1ccco1)C(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1 ZINC000036821026 569138220 /nfs/dbraw/zinc/13/82/20/569138220.db2.gz WBCLMCGZBLHFSN-UHFFFAOYSA-N 0 0 442.538 4.940 50 0 IJAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000065504257 569138965 /nfs/dbraw/zinc/13/89/65/569138965.db2.gz WUJQSVYEKKEPFF-LBPRGKRZSA-N 0 0 443.878 4.921 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065535598 569139525 /nfs/dbraw/zinc/13/95/25/569139525.db2.gz FYXKORLLFPMXKF-UHFFFAOYSA-N 0 0 439.581 4.827 50 0 IJAARN C[C@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1nc2ccccc2o1 ZINC000170591788 569141042 /nfs/dbraw/zinc/14/10/42/569141042.db2.gz XAIKLOWBVSBARI-HNNXBMFYSA-N 0 0 428.444 4.662 50 0 IJAARN CCCN(CCc1cccs1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000170596752 569141776 /nfs/dbraw/zinc/14/17/76/569141776.db2.gz QSNIZVNJTYTBDG-UHFFFAOYSA-N 0 0 442.606 4.668 50 0 IJAARN O=C(COc1ccccc1Br)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000170605880 569143903 /nfs/dbraw/zinc/14/39/03/569143903.db2.gz WIQVCHPYHOEWJE-IBGZPJMESA-N 0 0 440.341 4.972 50 0 IJAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037276657 569145363 /nfs/dbraw/zinc/14/53/63/569145363.db2.gz RYLZIIKXJPRUHE-KRWDZBQOSA-N 0 0 427.976 4.515 50 0 IJAARN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000037276854 569145383 /nfs/dbraw/zinc/14/53/83/569145383.db2.gz OZDHGVWAIDASQA-OFNKIYASSA-N 0 0 435.612 4.740 50 0 IJAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2cccc(OC)c2)c1CCC(=O)NCC1CC1 ZINC000037278434 569145425 /nfs/dbraw/zinc/14/54/25/569145425.db2.gz RJDIHAWYBACYFO-UHFFFAOYSA-N 0 0 449.551 4.703 50 0 IJAARN CCN(C)C(=O)COc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000037281868 569146149 /nfs/dbraw/zinc/14/61/49/569146149.db2.gz CIXCNPZHPPXYTB-HHHXNRCGSA-N 0 0 442.559 4.640 50 0 IJAARN O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000170614754 569146511 /nfs/dbraw/zinc/14/65/11/569146511.db2.gz DVJHSVLRHWILIT-UHFFFAOYSA-N 0 0 427.850 4.681 50 0 IJAARN COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3cc4cccc(OC)c4nc3Cl)C2)c1 ZINC000170615336 569146513 /nfs/dbraw/zinc/14/65/13/569146513.db2.gz AVEBZGUGDVRWIS-HXUWFJFHSA-N 0 0 439.899 4.612 50 0 IJAARN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000170624966 569148299 /nfs/dbraw/zinc/14/82/99/569148299.db2.gz FIFZLXLLQBVZQJ-CLCXKQKWSA-N 0 0 436.861 4.726 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000009909403 569150357 /nfs/dbraw/zinc/15/03/57/569150357.db2.gz FWNPTNBKNKQBDV-KRWDZBQOSA-N 0 0 446.573 4.993 50 0 IJAARN CCSc1nnc(NC(=O)c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)s1 ZINC000009953956 569151026 /nfs/dbraw/zinc/15/10/26/569151026.db2.gz YSWWEDWZUVZDCD-UHFFFAOYSA-N 0 0 442.957 4.804 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009954674 569151211 /nfs/dbraw/zinc/15/12/11/569151211.db2.gz RRGXJDYJOVZEJY-UHFFFAOYSA-N 0 0 441.607 4.641 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(OCc2cscn2)cc1 ZINC000009996209 569151384 /nfs/dbraw/zinc/15/13/84/569151384.db2.gz LCLIAARWXOXYRK-UHFFFAOYSA-N 0 0 432.549 4.514 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000010025404 569151569 /nfs/dbraw/zinc/15/15/69/569151569.db2.gz NFZJINTZQGTUEH-LJQANCHMSA-N 0 0 447.604 4.823 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000010027929 569151829 /nfs/dbraw/zinc/15/18/29/569151829.db2.gz ZRFBFEINFLMTGS-UHFFFAOYSA-N 0 0 426.532 4.660 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000010058886 569151915 /nfs/dbraw/zinc/15/19/15/569151915.db2.gz XXOWTJUCJYFQOR-QHCPKHFHSA-N 0 0 444.369 4.982 50 0 IJAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000010060263 569152404 /nfs/dbraw/zinc/15/24/04/569152404.db2.gz ZHPCYYMVJCPSDS-UHFFFAOYSA-N 0 0 433.899 4.633 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2OC)cc1 ZINC000010060287 569152422 /nfs/dbraw/zinc/15/24/22/569152422.db2.gz KTFRDXULSCNXTI-XZOQPEGZSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000010060044 569152444 /nfs/dbraw/zinc/15/24/44/569152444.db2.gz NYOBJCCTWQOVMA-UHFFFAOYSA-N 0 0 448.903 4.849 50 0 IJAARN COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3OC)C[C@H]2c2ccccc2)c1 ZINC000010060394 569152610 /nfs/dbraw/zinc/15/26/10/569152610.db2.gz KMZLTTWIRSLQHT-XZOQPEGZSA-N 0 0 440.503 4.677 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000010219988 569152838 /nfs/dbraw/zinc/15/28/38/569152838.db2.gz PYVSCHPTLCAVGZ-RUZDIDTESA-N 0 0 432.520 4.639 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 ZINC000010217561 569153243 /nfs/dbraw/zinc/15/32/43/569153243.db2.gz HNDFUCKQRFGFCU-UHFFFAOYSA-N 0 0 429.567 4.502 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000010218999 569153605 /nfs/dbraw/zinc/15/36/05/569153605.db2.gz WVVWCFOPWVTHGD-UHFFFAOYSA-N 0 0 447.340 4.935 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(ccc3ccccc23)s1 ZINC000010218866 569153627 /nfs/dbraw/zinc/15/36/27/569153627.db2.gz FKUISKOFIZLBGK-UHFFFAOYSA-N 0 0 428.510 4.781 50 0 IJAARN C[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321887 569155054 /nfs/dbraw/zinc/15/50/54/569155054.db2.gz NMEJJYUVQWCWNA-AWEZNQCLSA-N 0 0 442.544 4.834 50 0 IJAARN C[C@H](NC(=O)c1ccccc1I)c1ccccc1Br ZINC000014425898 569159037 /nfs/dbraw/zinc/15/90/37/569159037.db2.gz RCMYRHHMMWKNFX-JTQLQIEISA-N 0 0 430.083 4.545 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016837266 569162660 /nfs/dbraw/zinc/16/26/60/569162660.db2.gz LXJCVWGAWASXQD-UHFFFAOYSA-N 0 0 447.516 4.532 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3c(F)cccc3F)nc21 ZINC000016838752 569162887 /nfs/dbraw/zinc/16/28/87/569162887.db2.gz TXRACNXIKUQKNL-UHFFFAOYSA-N 0 0 441.459 4.834 50 0 IJAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCC(C)C)n2)cc1 ZINC000016843554 569163693 /nfs/dbraw/zinc/16/36/93/569163693.db2.gz GUIIUKKPBXTXQY-UHFFFAOYSA-N 0 0 442.566 4.855 50 0 IJAARN O=C(CSc1nnc2sc3ccccc3n12)NC(c1ccccc1)c1ccccc1 ZINC000089827642 569165384 /nfs/dbraw/zinc/16/53/84/569165384.db2.gz SKRDYZHUODTMFE-UHFFFAOYSA-N 0 0 430.558 4.942 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891130 569165686 /nfs/dbraw/zinc/16/56/86/569165686.db2.gz ZMUYOBKNTITZLC-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089851310 569166160 /nfs/dbraw/zinc/16/61/60/569166160.db2.gz DXOQCIJGMHCJGW-QGZVFWFLSA-N 0 0 449.864 4.920 50 0 IJAARN COc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000016954976 569167635 /nfs/dbraw/zinc/16/76/35/569167635.db2.gz WJAZKGDIPCABBH-UHFFFAOYSA-N 0 0 447.564 4.575 50 0 IJAARN COc1cccc(CNC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 ZINC000016960338 569168083 /nfs/dbraw/zinc/16/80/83/569168083.db2.gz RWTAOEZGYKNTLR-UHFFFAOYSA-N 0 0 433.327 4.521 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037356373 569172105 /nfs/dbraw/zinc/17/21/05/569172105.db2.gz GJWNZJJEKOXMTD-UHFFFAOYSA-N 0 0 429.307 4.538 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)ncn2)ccc1Cl ZINC000037356479 569172194 /nfs/dbraw/zinc/17/21/94/569172194.db2.gz XDUGVRLJLOUCNO-UHFFFAOYSA-N 0 0 443.334 4.847 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)Nc1ccccc1 ZINC000017190657 569175771 /nfs/dbraw/zinc/17/57/71/569175771.db2.gz RJWVOIFBVTXDAC-UHFFFAOYSA-N 0 0 438.936 4.907 50 0 IJAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000002084245 569178299 /nfs/dbraw/zinc/17/82/99/569178299.db2.gz KRWQFFFCQCEBBS-LICLKQGHSA-N 0 0 439.464 4.828 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)ccc12 ZINC000002094709 569179191 /nfs/dbraw/zinc/17/91/91/569179191.db2.gz ZTGBVQGVOWZSFF-VLIAUNLRSA-N 0 0 431.529 4.899 50 0 biogenic IJAARN CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002096339 569179453 /nfs/dbraw/zinc/17/94/53/569179453.db2.gz QRAYIYGWOHUYFL-OAQYLSRUSA-N 0 0 437.492 4.746 50 0 biogenic IJAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc4ccccc43)N12 ZINC000002101721 569180012 /nfs/dbraw/zinc/18/00/12/569180012.db2.gz NSFYPVTUDLIEBT-LSYYVWMOSA-N 0 0 449.554 4.949 50 0 biogenic IJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)cc1 ZINC000002103158 569180027 /nfs/dbraw/zinc/18/00/27/569180027.db2.gz ZGSANAXAKYDFFK-UHFFFAOYSA-N 0 0 432.384 4.542 50 0 biogenic IJAARN COc1ccc(C(=O)COc2ccc3c(c2)occ(-c2ccc4c(c2)OCCO4)c3=O)cc1 ZINC000002104834 569180248 /nfs/dbraw/zinc/18/02/48/569180248.db2.gz OGGULYHZXQOFQX-UHFFFAOYSA-N 0 0 444.439 4.502 50 0 biogenic IJAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000000702501 569180374 /nfs/dbraw/zinc/18/03/74/569180374.db2.gz OGJXUSXXTLNUJC-CQSZACIVSA-N 0 0 442.512 4.695 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccnc2)cc1 ZINC000001088279 569180446 /nfs/dbraw/zinc/18/04/46/569180446.db2.gz JDSOTPIIQKBZCC-UHFFFAOYSA-N 0 0 434.496 4.842 50 0 IJAARN COc1ccc(Br)cc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000002138706 569185383 /nfs/dbraw/zinc/18/53/83/569185383.db2.gz HLGKOGGBRZOVAO-BDTMADQZSA-N 0 0 441.369 4.793 50 0 biogenic IJAARN O=C(NC1CCCCC1)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037375739 569185481 /nfs/dbraw/zinc/18/54/81/569185481.db2.gz AJKXJZBZHDWENA-UHFFFAOYSA-N 0 0 447.942 4.616 50 0 IJAARN CC1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3F)n2)CC1 ZINC000037376010 569185613 /nfs/dbraw/zinc/18/56/13/569185613.db2.gz MUYNJWAQPAWGFW-UHFFFAOYSA-N 0 0 438.457 4.718 50 0 IJAARN O=C(CCNc1ccc(I)cc1)c1ccc(Br)cc1 ZINC000002521060 569185766 /nfs/dbraw/zinc/18/57/66/569185766.db2.gz BHBFXIUIYWYUCB-UHFFFAOYSA-N 0 0 430.083 4.739 50 0 IJAARN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000252477957 569185979 /nfs/dbraw/zinc/18/59/79/569185979.db2.gz YOAXKCCPGHNSNS-SRABZTEZSA-N 0 0 426.479 4.713 50 0 IJAARN O=C(Cn1nnc2ccccc21)Nc1ccccc1-c1csc(-c2ccccc2F)n1 ZINC000208011789 569186207 /nfs/dbraw/zinc/18/62/07/569186207.db2.gz BEIAFMUUGHWPSE-UHFFFAOYSA-N 0 0 429.480 5.000 50 0 IJAARN COCCn1cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252508731 569188485 /nfs/dbraw/zinc/18/84/85/569188485.db2.gz XRZIQQKJAHJZBK-XMMPIXPASA-N 0 0 438.531 4.878 50 0 IJAARN O=C(Nc1cc(CSCCOC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccn1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252511009 569188729 /nfs/dbraw/zinc/18/87/29/569188729.db2.gz CWTWWERCSQEVOB-YKPWNLHMSA-N 0 0 428.598 4.669 50 0 IJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n1 ZINC000037385203 569192414 /nfs/dbraw/zinc/19/24/14/569192414.db2.gz PYTNPTVORQZLBQ-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCCc3ccccn3)c2cc1C ZINC000037397138 569193167 /nfs/dbraw/zinc/19/31/67/569193167.db2.gz LNGRUDYEJXKYAM-LJQANCHMSA-N 0 0 430.527 4.698 50 0 IJAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002209235 569194062 /nfs/dbraw/zinc/19/40/62/569194062.db2.gz WDAKVFRGDUJIDG-UHFFFAOYSA-N 0 0 441.922 4.798 50 0 IJAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000037399190 569194268 /nfs/dbraw/zinc/19/42/68/569194268.db2.gz JDIJPXHNTKRIIZ-UHFFFAOYSA-N 0 0 446.570 4.877 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000037401151 569195141 /nfs/dbraw/zinc/19/51/41/569195141.db2.gz BUZHWMITXFAQRU-MRXNPFEDSA-N 0 0 436.549 4.702 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000037401176 569195149 /nfs/dbraw/zinc/19/51/49/569195149.db2.gz CLHNPFADTAVJRB-QGZVFWFLSA-N 0 0 448.585 4.572 50 0 IJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4oc(=O)ccc4c3)[C@](C)(O)CC[C@@H]2C1(C)C ZINC000252609570 569195310 /nfs/dbraw/zinc/19/53/10/569195310.db2.gz HUXDDEPCFQSICR-LTXUKYRLSA-N 0 0 442.552 4.707 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)CC(C)(C)C)C2)cc1OC ZINC000037440268 569196668 /nfs/dbraw/zinc/19/66/68/569196668.db2.gz ZATDGAKPXSMULG-HXUWFJFHSA-N 0 0 442.531 4.801 50 0 IJAARN COCCN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000037441841 569196924 /nfs/dbraw/zinc/19/69/24/569196924.db2.gz XHOOKCQAWZIGAU-UHFFFAOYSA-N 0 0 439.600 4.725 50 0 IJAARN COc1cccc(CN2c3ccccc3S/C(=C/C(=O)NCc3ccccc3C)C2=O)c1 ZINC000037452508 569197327 /nfs/dbraw/zinc/19/73/27/569197327.db2.gz CGVHAWHUTBVGLU-BUVRLJJBSA-N 0 0 444.556 4.843 50 0 IJAARN C[C@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037520930 569198260 /nfs/dbraw/zinc/19/82/60/569198260.db2.gz YQESHQZLZQWOBC-NSHDSACASA-N 0 0 442.140 4.633 50 0 IJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)COc1ccc(Cl)cc1 ZINC000037522779 569198357 /nfs/dbraw/zinc/19/83/57/569198357.db2.gz YLYJDJOFSLENJQ-SFHVURJKSA-N 0 0 434.923 4.650 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)cc2)CC1 ZINC000037526072 569199101 /nfs/dbraw/zinc/19/91/01/569199101.db2.gz LGENEAONMUMERD-UHFFFAOYSA-N 0 0 428.529 4.614 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)c(F)c2)C1 ZINC000037526790 569199197 /nfs/dbraw/zinc/19/91/97/569199197.db2.gz VXVSCVDAIUYVHL-MRXNPFEDSA-N 0 0 446.519 4.753 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2F)C1 ZINC000037526688 569199214 /nfs/dbraw/zinc/19/92/14/569199214.db2.gz VIIDTILZCIALSE-KRWDZBQOSA-N 0 0 428.529 4.614 50 0 IJAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000037541963 569199731 /nfs/dbraw/zinc/19/97/31/569199731.db2.gz PZLCACOFHKNVNS-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1 ZINC000037545889 569199742 /nfs/dbraw/zinc/19/97/42/569199742.db2.gz QLVLYFLXVDHBAO-LOSJGSFVSA-N 0 0 427.548 4.666 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000037545914 569199776 /nfs/dbraw/zinc/19/97/76/569199776.db2.gz RYTWGYVPNQYVKC-ZEYPLWLESA-N 0 0 425.548 4.966 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2cccc(F)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546177 569200061 /nfs/dbraw/zinc/20/00/61/569200061.db2.gz MMGPCBZWHYYXPJ-SIKLNZKXSA-N 0 0 429.511 4.544 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580408 569201843 /nfs/dbraw/zinc/20/18/43/569201843.db2.gz CIEYDSMTIGDTFN-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037602190 569202365 /nfs/dbraw/zinc/20/23/65/569202365.db2.gz UENROFWBLNVCDF-SBUREZEXSA-N 0 0 440.559 4.639 50 0 IJAARN CC(C)c1nc2oc3c(ncnc3N(CCO)Cc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002221090 569204616 /nfs/dbraw/zinc/20/46/16/569204616.db2.gz NSRBRVATUHVLKF-UHFFFAOYSA-N 0 0 446.551 4.745 50 0 IJAARN Cc1ccc(N=c2oc3c(Br)cc(Br)cc3cc2C(N)=O)cc1 ZINC000252672178 569210002 /nfs/dbraw/zinc/21/00/02/569210002.db2.gz PLYVZVXZIMPQBS-UHFFFAOYSA-N 0 0 436.103 4.598 50 0 IJAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(N(C)C)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000003659198 569212105 /nfs/dbraw/zinc/21/21/05/569212105.db2.gz YRODHZURNPCTKA-UHFFFAOYSA-N 0 0 443.547 4.619 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000003671648 569212114 /nfs/dbraw/zinc/21/21/14/569212114.db2.gz MDUMRNZKZQPHNM-XSFVSMFZSA-N 0 0 431.419 4.788 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000002240516 569213606 /nfs/dbraw/zinc/21/36/06/569213606.db2.gz SNBAQLNQWUOHDA-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN CC(C)COC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002249005 569214759 /nfs/dbraw/zinc/21/47/59/569214759.db2.gz DXUHHEXZSYXDPW-UHFFFAOYSA-N 0 0 428.414 4.988 50 0 IJAARN CCc1ccc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002250104 569214911 /nfs/dbraw/zinc/21/49/11/569214911.db2.gz IULHCKDUZRFECY-UHFFFAOYSA-N 0 0 435.531 4.957 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc(F)cc2)cc1C ZINC000027521016 569218258 /nfs/dbraw/zinc/21/82/58/569218258.db2.gz GQDNCWATPWJUIQ-MTJSOVHGSA-N 0 0 432.451 4.581 50 0 IJAARN O=C(Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccc(Br)cc1 ZINC000019862823 569257048 /nfs/dbraw/zinc/25/70/48/569257048.db2.gz XQQCJLDDOPXUGD-UHFFFAOYSA-N 0 0 437.268 4.848 50 0 IJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCCC3 ZINC000002281128 569263107 /nfs/dbraw/zinc/26/31/07/569263107.db2.gz WGCWDVHRNIQBHG-UHFFFAOYSA-N 0 0 440.594 4.875 50 0 IJAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000027527625 569263350 /nfs/dbraw/zinc/26/33/50/569263350.db2.gz QMDWCYOLZZGSQQ-UHFFFAOYSA-N 0 0 426.520 4.602 50 0 IJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)c(OC)c1 ZINC000253397408 569264782 /nfs/dbraw/zinc/26/47/82/569264782.db2.gz BKSWLELRMKJRTE-LJQANCHMSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN COc1ccccc1CNn1c(=O)c2ccccc2nc1-c1ccc(Br)cc1 ZINC000027532143 569266373 /nfs/dbraw/zinc/26/63/73/569266373.db2.gz OZSOSWCVOFKWTB-UHFFFAOYSA-N 0 0 436.309 4.578 50 0 IJAARN Cc1oc(-c2cccs2)nc1COc1ccc(Cl)nc1I ZINC000253426900 569267386 /nfs/dbraw/zinc/26/73/86/569267386.db2.gz BVPSMMFNPLPVNU-UHFFFAOYSA-N 0 0 432.670 4.944 50 0 IJAARN Cn1cc(-c2nc(C(=O)O[C@@H]3CC(C)(C)Oc4ccc(Br)cc43)cs2)cn1 ZINC000253429967 569267507 /nfs/dbraw/zinc/26/75/07/569267507.db2.gz HKGUXIQKEPVBMR-MRXNPFEDSA-N 0 0 448.342 4.765 50 0 IJAARN CCCNC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002303859 569271573 /nfs/dbraw/zinc/27/15/73/569271573.db2.gz UEYAXHBVTVPNBD-PSASIEDQSA-N 0 0 437.285 4.507 50 0 IJAARN COCCNC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002308445 569271937 /nfs/dbraw/zinc/27/19/37/569271937.db2.gz MRQMVKDCAIPZKF-SDNWHVSQSA-N 0 0 440.609 4.953 50 0 IJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000002317727 569272602 /nfs/dbraw/zinc/27/26/02/569272602.db2.gz RUJPFRDGBPMDTK-UHFFFAOYSA-N 0 0 441.203 4.988 50 0 IJAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 ZINC000002321164 569274044 /nfs/dbraw/zinc/27/40/44/569274044.db2.gz QWAXVAOKUCRTQE-UHFFFAOYSA-N 0 0 433.643 4.803 50 0 IJAARN Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCc2ccccc2)c2ccccc21 ZINC000002338571 569274946 /nfs/dbraw/zinc/27/49/46/569274946.db2.gz XZFXTLPYBVLIKH-HAHDFKILSA-N 0 0 443.934 4.919 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1 ZINC000253472980 569282788 /nfs/dbraw/zinc/28/27/88/569282788.db2.gz QVRAGHFDNDATJA-UHFFFAOYSA-N 0 0 430.327 4.679 50 0 IJAARN C[C@@H](NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002353853 569285794 /nfs/dbraw/zinc/28/57/94/569285794.db2.gz SXSKZELZPLBHEQ-MRXNPFEDSA-N 0 0 439.494 4.845 50 0 IJAARN OC[C@H]1COc2ccc3ccccc3c2[C@H]1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000008855271 569291235 /nfs/dbraw/zinc/29/12/35/569291235.db2.gz NEYKBCUEJKHLAF-XOBRGWDASA-N 0 0 432.467 4.887 50 0 IJAARN COc1cc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F ZINC000008878326 569291956 /nfs/dbraw/zinc/29/19/56/569291956.db2.gz QIZUHWQBMGVVDW-PQCQUMGKSA-N 0 0 447.478 4.985 50 0 IJAARN O=C(C=Cc1c(Cl)cccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009990835 569298956 /nfs/dbraw/zinc/29/89/56/569298956.db2.gz BAHJNHVYLLSYCX-FNORWQNLSA-N 0 0 446.330 4.899 50 0 IJAARN COc1ccccc1/C=C(/C(=O)OCc1cc(=O)oc2cc(O)ccc12)c1ccccc1 ZINC000010021973 569299218 /nfs/dbraw/zinc/29/92/18/569299218.db2.gz KZSNDEPEFIONDF-LPYMAVHISA-N 0 0 428.440 4.791 50 0 IJAARN CCc1cccc(-n2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)c1 ZINC000002420648 569301956 /nfs/dbraw/zinc/30/19/56/569301956.db2.gz GISHPYQTHFKPMF-UHFFFAOYSA-N 0 0 442.544 4.860 50 0 IJAARN COc1cc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc(OC)c1OC ZINC000002421935 569302148 /nfs/dbraw/zinc/30/21/48/569302148.db2.gz BCNVPLQTQCALAW-UHFFFAOYSA-N 0 0 448.523 4.827 50 0 IJAARN O=S(=O)(c1cccs1)N1CN(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002428850 569302800 /nfs/dbraw/zinc/30/28/00/569302800.db2.gz QKQSKKWYRPWAJL-UHFFFAOYSA-N 0 0 426.567 4.555 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000002450002 569304812 /nfs/dbraw/zinc/30/48/12/569304812.db2.gz AVMCMOABEOPSAQ-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 ZINC000012955635 569305325 /nfs/dbraw/zinc/30/53/25/569305325.db2.gz JVYOABIGPXAJTQ-UHFFFAOYSA-N 0 0 439.437 4.989 50 0 IJAARN COc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)c(OC)c1 ZINC000012983495 569305838 /nfs/dbraw/zinc/30/58/38/569305838.db2.gz BAONKSZIWCBTAG-UHFFFAOYSA-N 0 0 425.666 4.749 50 0 IJAARN Clc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3Cc3ccco3)no2)cc1 ZINC000013010130 569306682 /nfs/dbraw/zinc/30/66/82/569306682.db2.gz OLPSLROSSQNJMN-UHFFFAOYSA-N 0 0 442.932 4.515 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cs2)cc1 ZINC000013012224 569306878 /nfs/dbraw/zinc/30/68/78/569306878.db2.gz MAFGFTRULRPBMZ-UHFFFAOYSA-N 0 0 441.578 4.726 50 0 IJAARN Cc1cccc(C)c1NC(=O)CCCS[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013023883 569307234 /nfs/dbraw/zinc/30/72/34/569307234.db2.gz JWMGNEPDNVJUMK-QGZVFWFLSA-N 0 0 428.554 4.554 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000013098633 569309901 /nfs/dbraw/zinc/30/99/01/569309901.db2.gz AGMXLUVNTORTSB-HNNXBMFYSA-N 0 0 430.460 4.727 50 0 IJAARN Cc1ccc(C)c(NC(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)c1 ZINC000013108205 569310120 /nfs/dbraw/zinc/31/01/20/569310120.db2.gz BXAMISQJTVXLNJ-UHFFFAOYSA-N 0 0 436.371 4.791 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c1C ZINC000013109196 569310223 /nfs/dbraw/zinc/31/02/23/569310223.db2.gz GDJCJCXPZWPKMH-UHFFFAOYSA-N 0 0 448.500 4.735 50 0 IJAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)(C)C)C1=O ZINC000013114431 569310691 /nfs/dbraw/zinc/31/06/91/569310691.db2.gz LMVDWDFQKISJPT-VWLOTQADSA-N 0 0 439.531 4.699 50 0 IJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000013114547 569310768 /nfs/dbraw/zinc/31/07/68/569310768.db2.gz ONHAMUZIJIKTHK-UHFFFAOYSA-N 0 0 432.524 4.672 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000013114971 569310809 /nfs/dbraw/zinc/31/08/09/569310809.db2.gz IEUXUEHFARBYDF-IBGZPJMESA-N 0 0 443.576 4.528 50 0 IJAARN O=C([C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000013117953 569310993 /nfs/dbraw/zinc/31/09/93/569310993.db2.gz LLUGWEJSKJXBFX-NRFANRHFSA-N 0 0 429.549 4.661 50 0 IJAARN CC(C)c1ccc(CN(C)[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139199 569311609 /nfs/dbraw/zinc/31/16/09/569311609.db2.gz DOAOTUSMQUGLHO-UIOOFZCWSA-N 0 0 434.605 4.886 50 0 IJAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c(OC)c1 ZINC000013145326 569311815 /nfs/dbraw/zinc/31/18/15/569311815.db2.gz RFDQMVVVNGJJCP-UHFFFAOYSA-N 0 0 431.444 4.860 50 0 IJAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000013163959 569312350 /nfs/dbraw/zinc/31/23/50/569312350.db2.gz MDZDXWOSQADHEJ-KRWDZBQOSA-N 0 0 439.167 4.656 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(OC)c(OC)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000013163291 569312413 /nfs/dbraw/zinc/31/24/13/569312413.db2.gz YHHJDCAHGZIGJN-UHFFFAOYSA-N 0 0 446.960 4.675 50 0 IJAARN CCOc1c2cc(NC(=O)c3n[nH]c4c3CCc3ccccc3-4)ccc2sc1C(=O)OC ZINC000013346685 569312947 /nfs/dbraw/zinc/31/29/47/569312947.db2.gz LPVGJYJCYIOKGH-UHFFFAOYSA-N 0 0 447.516 4.828 50 0 IJAARN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c(OC)c1 ZINC000013358182 569313711 /nfs/dbraw/zinc/31/37/11/569313711.db2.gz XWPKDNUADHUYKN-UHFFFAOYSA-N 0 0 438.958 4.898 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(F)c3)nn2[C@H]1c1ccc(F)cc1 ZINC000013363397 569314125 /nfs/dbraw/zinc/31/41/25/569314125.db2.gz XLTFZLMOPYANJV-IBGZPJMESA-N 0 0 442.491 4.701 50 0 IJAARN CCC(CC)c1nn2c(nc(COc3cccc(NC(=O)c4ccccc4)c3)cc2=O)s1 ZINC000013368321 569314614 /nfs/dbraw/zinc/31/46/14/569314614.db2.gz ZTPXXFKDPVDVIX-UHFFFAOYSA-N 0 0 448.548 4.886 50 0 IJAARN Cc1sc2nc3c(C(=O)NCCNc4ccc5ccccc5c4)cccn3c(=O)c2c1C ZINC000002461901 569316261 /nfs/dbraw/zinc/31/62/61/569316261.db2.gz POKWRTMDIRPXAO-UHFFFAOYSA-N 0 0 442.544 4.521 50 0 IJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000078989271 569321472 /nfs/dbraw/zinc/32/14/72/569321472.db2.gz NFDIALRFQVCZOP-OAHLLOKOSA-N 0 0 440.361 4.878 50 0 IJAARN O=C(Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl)c1cnccn1 ZINC000079015571 569322019 /nfs/dbraw/zinc/32/20/19/569322019.db2.gz YRRVWDVTGGUKHK-UHFFFAOYSA-N 0 0 428.677 4.688 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N(CCO)[C@H]1CCc2ccccc21 ZINC000079019495 569322200 /nfs/dbraw/zinc/32/22/00/569322200.db2.gz RDLMCMHZNQXBFI-FQEVSTJZSA-N 0 0 433.474 4.819 50 0 IJAARN Cc1ccc(-n2c(SC3CCS(=O)(=O)CC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000079058307 569323740 /nfs/dbraw/zinc/32/37/40/569323740.db2.gz IJQXNGUFZYMFFP-UHFFFAOYSA-N 0 0 433.986 4.565 50 0 IJAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)C[C@H](C)c4ccccc4)CC3)o2)cc1C ZINC000079102149 569325500 /nfs/dbraw/zinc/32/55/00/569325500.db2.gz YQSRDTQJEMYZJP-SFTDATJTSA-N 0 0 432.568 4.752 50 0 IJAARN COc1ccc(Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)o2)cc1 ZINC000020069226 569333177 /nfs/dbraw/zinc/33/31/77/569333177.db2.gz KTVLOPDGDRLZGC-UHFFFAOYSA-N 0 0 440.565 4.796 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000020069431 569333244 /nfs/dbraw/zinc/33/32/44/569333244.db2.gz KVKXXIWGPURWRJ-UHFFFAOYSA-N 0 0 428.945 4.623 50 0 IJAARN CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cccc(C(F)(F)F)c1 ZINC000020104569 569334170 /nfs/dbraw/zinc/33/41/70/569334170.db2.gz SYSFVVIDTZLQMT-UHFFFAOYSA-N 0 0 448.441 4.724 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020179109 569354779 /nfs/dbraw/zinc/35/47/79/569354779.db2.gz KCICBKJRVCFASE-GOSISDBHSA-N 0 0 443.975 4.634 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21 ZINC000020180876 569355252 /nfs/dbraw/zinc/35/52/52/569355252.db2.gz IRYYOMUCTRSPEY-RYTXQPBMSA-N 0 0 442.918 4.941 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000020241060 569357872 /nfs/dbraw/zinc/35/78/72/569357872.db2.gz IWZZVLNHIUURON-UHFFFAOYSA-N 0 0 430.957 4.904 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)N1CCCCC1 ZINC000020242737 569358280 /nfs/dbraw/zinc/35/82/80/569358280.db2.gz ZVIYQJHJZONPAU-JGCGQSQUSA-N 0 0 444.556 4.640 50 0 IJAARN COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccccc2)c1OC ZINC000095116687 569358500 /nfs/dbraw/zinc/35/85/00/569358500.db2.gz PUSUNTRSVYAGGI-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3NC2=O)c1 ZINC000020355274 569361272 /nfs/dbraw/zinc/36/12/72/569361272.db2.gz SSMAFFNDSGLCAU-FOKLQQMPSA-N 0 0 444.512 4.739 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000095350586 569362020 /nfs/dbraw/zinc/36/20/20/569362020.db2.gz VWQAAUIDXIMPCH-SFHVURJKSA-N 0 0 437.515 4.529 50 0 IJAARN CN(C)C(=O)COc1cccc(CNCc2sc(Sc3ccccc3)nc2Cl)c1 ZINC000095361047 569362255 /nfs/dbraw/zinc/36/22/55/569362255.db2.gz QZFBRMQLOVTNQT-UHFFFAOYSA-N 0 0 448.013 4.705 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NC1CCCCCC1 ZINC000020384729 569362914 /nfs/dbraw/zinc/36/29/14/569362914.db2.gz UEGLFVAYBFPWOO-UHFFFAOYSA-N 0 0 438.597 4.953 50 0 IJAARN Cc1nc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)oc1C ZINC000095393534 569363458 /nfs/dbraw/zinc/36/34/58/569363458.db2.gz UYPWTQNRMAUENB-UHFFFAOYSA-N 0 0 425.337 4.989 50 0 IJAARN O=C(c1c[nH]c2ccccc21)[C@@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405891 569364547 /nfs/dbraw/zinc/36/45/47/569364547.db2.gz UFYYIVLOCRFPAZ-NOZRDPDXSA-N 0 0 445.588 4.817 50 0 IJAARN Cc1c(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1-c1ccncc1 ZINC000095448033 569367510 /nfs/dbraw/zinc/36/75/10/569367510.db2.gz LRIWXKJEYOVJTG-DEOSSOPVSA-N 0 0 440.503 4.729 50 0 IJAARN CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000095451302 569367799 /nfs/dbraw/zinc/36/77/99/569367799.db2.gz OAOLAJRBERAUQO-OAQYLSRUSA-N 0 0 443.975 4.900 50 0 IJAARN CCc1nn(C)cc1CNC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C ZINC000095459077 569369402 /nfs/dbraw/zinc/36/94/02/569369402.db2.gz UPAVRFYUCTZKGG-UHFFFAOYSA-N 0 0 436.585 4.583 50 0 IJAARN CC(C)[C@H]1CCCN1c1ccc(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)cc1F ZINC000095465584 569370776 /nfs/dbraw/zinc/37/07/76/569370776.db2.gz WFBBRFGVMFNZMN-HXUWFJFHSA-N 0 0 444.938 4.886 50 0 IJAARN COc1ccc(CCNC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cc1OC ZINC000095473990 569372448 /nfs/dbraw/zinc/37/24/48/569372448.db2.gz ZAGZUQIXPMXXPF-HXUWFJFHSA-N 0 0 426.944 4.692 50 0 IJAARN COc1ccc(CCNC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)cc1OC ZINC000095473989 569372465 /nfs/dbraw/zinc/37/24/65/569372465.db2.gz ZAGZUQIXPMXXPF-FQEVSTJZSA-N 0 0 426.944 4.692 50 0 IJAARN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c2)n1 ZINC000095475481 569372711 /nfs/dbraw/zinc/37/27/11/569372711.db2.gz NRMRYPKMACPQHU-UHFFFAOYSA-N 0 0 436.943 4.614 50 0 IJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478040 569373394 /nfs/dbraw/zinc/37/33/94/569373394.db2.gz BIRKSJKFKIWXDT-LIRRHRJNSA-N 0 0 447.557 4.631 50 0 IJAARN COc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000095482474 569374287 /nfs/dbraw/zinc/37/42/87/569374287.db2.gz BIULGACBQJBPGG-UHFFFAOYSA-N 0 0 438.336 4.602 50 0 IJAARN CC(C)[C@H](O)C1(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 ZINC000095987347 569378104 /nfs/dbraw/zinc/37/81/04/569378104.db2.gz NSKVMOQINCEJIJ-IBGZPJMESA-N 0 0 449.473 4.876 50 0 IJAARN Clc1cccc(NCc2csc(-c3ccc4c(c3)OCO4)n2)c1N1CCOCC1 ZINC000095997202 569378920 /nfs/dbraw/zinc/37/89/20/569378920.db2.gz PNHPVHCGSFYBEX-UHFFFAOYSA-N 0 0 429.929 4.641 50 0 IJAARN COc1ccccc1[C@H]1CC(=O)Oc2cc(OC)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114855 569383085 /nfs/dbraw/zinc/38/30/85/569383085.db2.gz WLXFQWMSMJCXPY-QGZVFWFLSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN C[C@@H](NC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1)c1ccccc1 ZINC000096124041 569385445 /nfs/dbraw/zinc/38/54/45/569385445.db2.gz SZOSXUWYCYZNOI-LJQANCHMSA-N 0 0 425.536 4.514 50 0 IJAARN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000096183751 569386055 /nfs/dbraw/zinc/38/60/55/569386055.db2.gz ICWSHNFIPXHIIW-VWLOTQADSA-N 0 0 438.568 4.538 50 0 IJAARN Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000096203754 569386380 /nfs/dbraw/zinc/38/63/80/569386380.db2.gz POKQOPHBQVQBQC-QFIPXVFZSA-N 0 0 442.437 4.832 50 0 IJAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000096211163 569386663 /nfs/dbraw/zinc/38/66/63/569386663.db2.gz KZAMOCIPOTXGFG-UHFFFAOYSA-N 0 0 435.597 4.503 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000096221049 569386756 /nfs/dbraw/zinc/38/67/56/569386756.db2.gz QSOHFEMCGPOYOU-ZEQRLZLVSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN COCCNC(=O)c1cc2cc(NC(=O)C(C)C)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000096277159 569388776 /nfs/dbraw/zinc/38/87/76/569388776.db2.gz PTSCMYFBWSIGCE-UHFFFAOYSA-N 0 0 449.595 4.958 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)COCc3ccccc3)ccc21 ZINC000096278603 569389084 /nfs/dbraw/zinc/38/90/84/569389084.db2.gz TVCAITMJDBWBJJ-UHFFFAOYSA-N 0 0 441.531 4.747 50 0 IJAARN O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCCCC2)C1 ZINC000096280524 569389532 /nfs/dbraw/zinc/38/95/32/569389532.db2.gz VHXNOAFPJSTSLQ-URXFXBBRSA-N 0 0 437.559 4.938 50 0 IJAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1C ZINC000096288764 569390573 /nfs/dbraw/zinc/39/05/73/569390573.db2.gz LYZZKZXSQVZEDW-UHFFFAOYSA-N 0 0 448.548 4.504 50 0 IJAARN COCCCNC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(-c3ccccc3)cn21 ZINC000096292047 569391225 /nfs/dbraw/zinc/39/12/25/569391225.db2.gz FENOQHFNGOCDIZ-UHFFFAOYSA-N 0 0 443.547 4.762 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cccc(Cl)c1 ZINC000096316847 569392883 /nfs/dbraw/zinc/39/28/83/569392883.db2.gz CWWASGNQFVGBEM-UHFFFAOYSA-N 0 0 439.003 4.609 50 0 IJAARN Cc1cccc(Cc2c(C)nc(C(C)C)nc2N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096317254 569393194 /nfs/dbraw/zinc/39/31/94/569393194.db2.gz FLHFQDQPXIRHHK-UHFFFAOYSA-N 0 0 434.609 4.832 50 0 IJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000096322904 569395032 /nfs/dbraw/zinc/39/50/32/569395032.db2.gz NTUZAADBADJDRI-UHFFFAOYSA-N 0 0 425.535 4.853 50 0 IJAARN Cc1ccc(-c2nc(SC(=Cc3ccccc3)C(=O)NCc3cccnc3)n[nH]2)cc1 ZINC000096336861 569396774 /nfs/dbraw/zinc/39/67/74/569396774.db2.gz KNDIUTVZBHWFJR-KGENOOAVSA-N 0 0 427.533 4.625 50 0 IJAARN COc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccc(C(C)(C)C)cc4)no3)cc2c1 ZINC000096349799 569397259 /nfs/dbraw/zinc/39/72/59/569397259.db2.gz KZTOPPOHJGADLF-UHFFFAOYSA-N 0 0 432.524 4.839 50 0 IJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)Cc1ccccc1Cl ZINC000096349854 569397448 /nfs/dbraw/zinc/39/74/48/569397448.db2.gz IPGSZZDBEFOZLN-UHFFFAOYSA-N 0 0 429.307 4.768 50 0 IJAARN Cc1cc2[nH]c(C(=O)Nc3ccc(C)cc3Br)c(CN3CCOCC3)c2s1 ZINC000096363787 569397722 /nfs/dbraw/zinc/39/77/22/569397722.db2.gz RSZDOPKAGAVYLY-UHFFFAOYSA-N 0 0 448.386 4.693 50 0 IJAARN CC(C)n1cc(C2=CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c2cccnc21 ZINC000096386513 569398663 /nfs/dbraw/zinc/39/86/63/569398663.db2.gz IJZGCHILIAXWKU-UHFFFAOYSA-N 0 0 429.973 4.890 50 0 IJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)oc2C)c1 ZINC000096397253 569399482 /nfs/dbraw/zinc/39/94/82/569399482.db2.gz QWIKRSXFSWXJEC-UHFFFAOYSA-N 0 0 441.285 4.811 50 0 IJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2s1 ZINC000096399729 569400257 /nfs/dbraw/zinc/40/02/57/569400257.db2.gz ZGVHFEODNFXFNW-UHFFFAOYSA-N 0 0 425.482 4.648 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc2nc(S(=O)(=O)CC(C)C)sc2c1 ZINC000096399734 569400288 /nfs/dbraw/zinc/40/02/88/569400288.db2.gz HSVDQFPUVVLBRB-UHFFFAOYSA-N 0 0 433.555 4.687 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000096562067 569401048 /nfs/dbraw/zinc/40/10/48/569401048.db2.gz DGWWELJHPNWNMX-JOCHJYFZSA-N 0 0 445.569 4.793 50 0 IJAARN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)COc2ccccc2)cc1 ZINC000096592171 569401853 /nfs/dbraw/zinc/40/18/53/569401853.db2.gz NCEYCGUOSLKUQB-JOCHJYFZSA-N 0 0 434.458 4.794 50 0 IJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC(C)C)cc5)no4)c3CO2)cc1 ZINC000097078103 569403134 /nfs/dbraw/zinc/40/31/34/569403134.db2.gz QBOYPQBNCUKUOP-OAQYLSRUSA-N 0 0 432.480 4.667 50 0 IJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)n1 ZINC000225540436 569403823 /nfs/dbraw/zinc/40/38/23/569403823.db2.gz LVZKMCBUROGBGP-FQEVSTJZSA-N 0 0 426.520 4.931 50 0 IJAARN CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(C)cc1)C3 ZINC000055396226 569404309 /nfs/dbraw/zinc/40/43/09/569404309.db2.gz LJCJQCMZDANMLC-UHFFFAOYSA-N 0 0 435.520 4.566 50 0 IJAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000002497238 569405670 /nfs/dbraw/zinc/40/56/70/569405670.db2.gz IPCUSMPVHRENIA-UHFFFAOYSA-N 0 0 443.521 4.585 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(-c4ccsc4)cc3)ccc21 ZINC000225615235 569405830 /nfs/dbraw/zinc/40/58/30/569405830.db2.gz KNLPGPDESNESIK-UHFFFAOYSA-N 0 0 426.563 4.770 50 0 IJAARN Cc1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1NC(=O)c1ccco1 ZINC000002618250 569410462 /nfs/dbraw/zinc/41/04/62/569410462.db2.gz YVAAFGQYZJVAPL-UHFFFAOYSA-N 0 0 443.455 4.792 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000002618095 569410471 /nfs/dbraw/zinc/41/04/71/569410471.db2.gz GBQPYXOXFJEPFH-UHFFFAOYSA-N 0 0 437.546 4.764 50 0 IJAARN COc1ccc(-c2nnc(SCc3cc(=O)n4c(-c5ccccc5)csc4n3)o2)cc1 ZINC000002618433 569410536 /nfs/dbraw/zinc/41/05/36/569410536.db2.gz XPHPPTAYDNJWCT-UHFFFAOYSA-N 0 0 448.529 4.774 50 0 IJAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccccc3C)c2c1 ZINC000215700497 569412478 /nfs/dbraw/zinc/41/24/78/569412478.db2.gz JPVRQUQTSWZRII-OYKKKHCWSA-N 0 0 425.488 4.895 50 0 IJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002637344 569413107 /nfs/dbraw/zinc/41/31/07/569413107.db2.gz BYXXDRPRDASADT-UHFFFAOYSA-N 0 0 425.488 4.952 50 0 IJAARN COc1cc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1OC(F)F ZINC000002649813 569414606 /nfs/dbraw/zinc/41/46/06/569414606.db2.gz URIRZTXPTLIRJX-UHFFFAOYSA-N 0 0 440.490 4.634 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)cc1F)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002651634 569414901 /nfs/dbraw/zinc/41/49/01/569414901.db2.gz OXGRZFAOUSKEBS-UHFFFAOYSA-N 0 0 430.282 4.561 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cccc(C)c1 ZINC000002687918 569416880 /nfs/dbraw/zinc/41/68/80/569416880.db2.gz CRUNKDZWRQEIAY-UHFFFAOYSA-N 0 0 447.556 4.898 50 0 IJAARN CC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000002694302 569417191 /nfs/dbraw/zinc/41/71/91/569417191.db2.gz SCZANKOIGSYCAC-UHFFFAOYSA-N 0 0 429.923 4.783 50 0 IJAARN COCC(=O)Oc1c(Sc2c(F)c(F)c(F)c(F)c2F)c(C)nn1-c1ccccc1 ZINC000002718540 569418046 /nfs/dbraw/zinc/41/80/46/569418046.db2.gz QLTVXBKRRUTEJG-UHFFFAOYSA-N 0 0 444.381 4.579 50 0 IJAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1ccccc1OC ZINC000002722504 569418378 /nfs/dbraw/zinc/41/83/78/569418378.db2.gz OQBVVUYHONYTIU-UHFFFAOYSA-N 0 0 446.016 4.704 50 0 IJAARN Cc1cc(C)cc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)c1 ZINC000002797135 569422140 /nfs/dbraw/zinc/42/21/40/569422140.db2.gz JMOAWBGFBJQUCG-UHFFFAOYSA-N 0 0 436.475 4.919 50 0 IJAARN COc1ccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cc2)cc1 ZINC000002800537 569422417 /nfs/dbraw/zinc/42/24/17/569422417.db2.gz KSHGOGWIKUSSKA-UHFFFAOYSA-N 0 0 448.486 4.718 50 0 IJAARN Cn1ncc2c3nc(-c4cccc(COc5cccc(Cl)c5Cl)c4)nn3cnc21 ZINC000002802213 569422458 /nfs/dbraw/zinc/42/24/58/569422458.db2.gz CGDWOWRKIBDYBZ-UHFFFAOYSA-N 0 0 425.279 4.564 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002915175 569425148 /nfs/dbraw/zinc/42/51/48/569425148.db2.gz IZONCLVGACSPIE-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN O=C(Nn1c(=O)c2sccc2nc1SCc1c(F)cccc1Cl)c1ccccc1 ZINC000002925530 569425624 /nfs/dbraw/zinc/42/56/24/569425624.db2.gz GGPWHYBQHUPVNO-UHFFFAOYSA-N 0 0 445.928 4.927 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C ZINC000002928506 569425892 /nfs/dbraw/zinc/42/58/92/569425892.db2.gz GXXOAPFEGRYWPI-UHFFFAOYSA-N 0 0 426.900 4.941 50 0 IJAARN COc1ccc(-n2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3c2=O)cc1 ZINC000002937516 569426246 /nfs/dbraw/zinc/42/62/46/569426246.db2.gz BXNHDEZANOIAFH-UHFFFAOYSA-N 0 0 434.879 4.914 50 0 IJAARN O=C(CSc1nc2ccccc2c(Nc2ccc3c(c2)OCO3)n1)NC1CCCCC1 ZINC000002948911 569427141 /nfs/dbraw/zinc/42/71/41/569427141.db2.gz KQFZPJHGJUYCQY-UHFFFAOYSA-N 0 0 436.537 4.643 50 0 IJAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000056945233 569428030 /nfs/dbraw/zinc/42/80/30/569428030.db2.gz QRMVIYOEBMRMHD-NRFANRHFSA-N 0 0 443.469 4.592 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000029245930 569429265 /nfs/dbraw/zinc/42/92/65/569429265.db2.gz HMTUXZGGXYKOOX-UHFFFAOYSA-N 0 0 428.532 4.505 50 0 IJAARN CCc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 ZINC000057273666 569430427 /nfs/dbraw/zinc/43/04/27/569430427.db2.gz SQFREBBSYVZQAQ-VWLOTQADSA-N 0 0 433.577 4.755 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057315291 569430973 /nfs/dbraw/zinc/43/09/73/569430973.db2.gz YHYIWVJUFZQKGT-XMMPIXPASA-N 0 0 437.559 4.620 50 0 IJAARN Cc1ccccc1-n1ncc(C(=O)Nc2cccc(I)c2)c1C1CC1 ZINC000029753522 569431897 /nfs/dbraw/zinc/43/18/97/569431897.db2.gz MIDAHCZTCNVUGD-UHFFFAOYSA-N 0 0 443.288 4.915 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000057364655 569432120 /nfs/dbraw/zinc/43/21/20/569432120.db2.gz UAAAHURWJIWQSX-SANMLTNESA-N 0 0 443.547 4.756 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000057364656 569432124 /nfs/dbraw/zinc/43/21/24/569432124.db2.gz UAAAHURWJIWQSX-AREMUKBSSA-N 0 0 443.547 4.756 50 0 IJAARN Cc1sc(NC(=O)CCn2c(C)nc3ccccc3c2=O)nc1-c1ccc(Cl)cc1 ZINC000029763923 569432439 /nfs/dbraw/zinc/43/24/39/569432439.db2.gz BEHHEISEZDOWLT-UHFFFAOYSA-N 0 0 438.940 4.819 50 0 IJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3cccc(F)c3)n2n1 ZINC000002969626 569433265 /nfs/dbraw/zinc/43/32/65/569433265.db2.gz YFEAMNHZXQPKBV-UHFFFAOYSA-N 0 0 432.528 4.834 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057426064 569434508 /nfs/dbraw/zinc/43/45/08/569434508.db2.gz LSCALEAYUSKRMD-UHFFFAOYSA-N 0 0 431.583 4.552 50 0 IJAARN Fc1ccc(N2CCN(Cc3nc(-c4ccc(OCc5ccccc5)cc4)no3)CC2)cc1 ZINC000057427832 569434803 /nfs/dbraw/zinc/43/48/03/569434803.db2.gz PGOHOHMASLGBPP-UHFFFAOYSA-N 0 0 444.510 4.777 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)sc2=S)cc1 ZINC000003018674 569435576 /nfs/dbraw/zinc/43/55/76/569435576.db2.gz WFPBXMNWGFHUEY-CYBMUJFWSA-N 0 0 427.551 4.518 50 0 IJAARN O=C(NCc1ccc(C(=O)NC2CCCCCC2)cc1)c1ccc(Br)cc1 ZINC000003022900 569436035 /nfs/dbraw/zinc/43/60/35/569436035.db2.gz PCKUWCXSYXGXRE-UHFFFAOYSA-N 0 0 429.358 4.832 50 0 IJAARN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)Cc2ccccc2)ccc1F ZINC000003024476 569436163 /nfs/dbraw/zinc/43/61/63/569436163.db2.gz QANUZWKYYOQXAC-UHFFFAOYSA-N 0 0 440.540 4.851 50 0 IJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000057486693 569436547 /nfs/dbraw/zinc/43/65/47/569436547.db2.gz IYJNKASCUVFCAN-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN C[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000057486981 569436579 /nfs/dbraw/zinc/43/65/79/569436579.db2.gz QSPOAODDJZPJEB-AWEZNQCLSA-N 0 0 434.418 4.505 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)c1 ZINC000057487427 569436741 /nfs/dbraw/zinc/43/67/41/569436741.db2.gz CWSQLSWRLRMMOH-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 ZINC000057487402 569436752 /nfs/dbraw/zinc/43/67/52/569436752.db2.gz SPJKEGHVAHVOMM-MRXNPFEDSA-N 0 0 427.595 4.639 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000057487380 569436759 /nfs/dbraw/zinc/43/67/59/569436759.db2.gz VORMRJVOAVJTGM-UHFFFAOYSA-N 0 0 447.585 4.827 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1cc(F)ccc1F ZINC000057487552 569436816 /nfs/dbraw/zinc/43/68/16/569436816.db2.gz GALCBYCBLHEPPI-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000057488076 569436910 /nfs/dbraw/zinc/43/69/10/569436910.db2.gz RLLPRQUAUPUUPB-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCc1cccs1 ZINC000057489074 569436984 /nfs/dbraw/zinc/43/69/84/569436984.db2.gz NQMDRAXQAPWLIS-UHFFFAOYSA-N 0 0 441.603 4.801 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)cc1 ZINC000057489384 569437049 /nfs/dbraw/zinc/43/70/49/569437049.db2.gz VVQVERNZUWODEV-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000057490239 569437147 /nfs/dbraw/zinc/43/71/47/569437147.db2.gz BDQVUPDJOXUZIF-UHFFFAOYSA-N 0 0 447.560 4.504 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000003031607 569437710 /nfs/dbraw/zinc/43/77/10/569437710.db2.gz KBHUKJCJTQQHEF-UHFFFAOYSA-N 0 0 440.540 4.906 50 0 IJAARN CCCCNC(=O)[C@H](CC)Sc1nc2nc(C)c(Cc3cccc(Cl)c3)c(C)n2n1 ZINC000003038407 569437972 /nfs/dbraw/zinc/43/79/72/569437972.db2.gz GAQAUGGVIYOECO-IBGZPJMESA-N 0 0 446.020 4.772 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 ZINC000003040529 569438424 /nfs/dbraw/zinc/43/84/24/569438424.db2.gz OTYFTECDDACIGD-JOCHJYFZSA-N 0 0 441.369 4.694 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)cc(C)nc2-c2cccc(Cl)c2)c(Br)c1 ZINC000057526989 569439104 /nfs/dbraw/zinc/43/91/04/569439104.db2.gz HGRONUUQXSBZEY-UHFFFAOYSA-N 0 0 446.732 4.582 50 0 IJAARN CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)cc1 ZINC000003196594 569441544 /nfs/dbraw/zinc/44/15/44/569441544.db2.gz LJJQOJRRRMOJEN-UHFFFAOYSA-N 0 0 443.455 4.663 50 0 IJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000003215706 569441800 /nfs/dbraw/zinc/44/18/00/569441800.db2.gz FEMPNFNARMBXOC-UHFFFAOYSA-N 0 0 427.485 4.741 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2Nc2ccc3c(c2)OCCO3)cc1 ZINC000003215856 569441819 /nfs/dbraw/zinc/44/18/19/569441819.db2.gz GJQAFYZUYMNAKE-UHFFFAOYSA-N 0 0 448.500 4.998 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003216731 569441841 /nfs/dbraw/zinc/44/18/41/569441841.db2.gz HPHHREGILUJGFM-UHFFFAOYSA-N 0 0 432.284 4.623 50 0 IJAARN COCCNC(=S)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 ZINC000003223890 569442098 /nfs/dbraw/zinc/44/20/98/569442098.db2.gz XTADEZIGGWOFHT-UHFFFAOYSA-N 0 0 430.577 4.718 50 0 IJAARN Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3nc4ccccc4s3)cc2)cc1 ZINC000003237270 569442454 /nfs/dbraw/zinc/44/24/54/569442454.db2.gz MSRJXXCFBLQSSG-UHFFFAOYSA-N 0 0 431.517 4.899 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c(Br)c1 ZINC000003274638 569443627 /nfs/dbraw/zinc/44/36/27/569443627.db2.gz QTCQTAVVMJDLIP-UHFFFAOYSA-N 0 0 441.354 4.993 50 0 IJAARN Cc1cc2nnc(SCc3nc(=O)c4c5c(sc4[nH]3)C[C@H](C)CC5)n2c2ccccc12 ZINC000003274641 569443659 /nfs/dbraw/zinc/44/36/59/569443659.db2.gz HDXNOJZVKOJNLS-GFCCVEGCSA-N 0 0 447.589 4.906 50 0 IJAARN O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003280670 569443900 /nfs/dbraw/zinc/44/39/00/569443900.db2.gz POAPBYJRDYYGJX-UHFFFAOYSA-N 0 0 445.427 4.536 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)cc1 ZINC000003292687 569444504 /nfs/dbraw/zinc/44/45/04/569444504.db2.gz ZUTJUDGMVZQZDG-UHFFFAOYSA-N 0 0 441.434 4.534 50 0 IJAARN O=C(COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000003302443 569445105 /nfs/dbraw/zinc/44/51/05/569445105.db2.gz CKZVDAJXGWVQKV-HZPDHXFCSA-N 0 0 431.941 4.523 50 0 IJAARN Cc1c(NC(=O)[C@@H](C)Oc2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003310268 569445388 /nfs/dbraw/zinc/44/53/88/569445388.db2.gz WYHDOSGRKLLBQQ-LJQANCHMSA-N 0 0 443.503 4.683 50 0 IJAARN Cc1ccc(NC(=S)NCCN2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 ZINC000058021432 569445417 /nfs/dbraw/zinc/44/54/17/569445417.db2.gz LLSLAQTXFLRMRR-UHFFFAOYSA-N 0 0 437.440 4.719 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000003316054 569445691 /nfs/dbraw/zinc/44/56/91/569445691.db2.gz UBELITZSVSBOID-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2N)c(C)n1CCc1ccc(F)cc1 ZINC000003329887 569446349 /nfs/dbraw/zinc/44/63/49/569446349.db2.gz YGHKCBHGRAZGKV-UHFFFAOYSA-N 0 0 428.891 4.762 50 0 IJAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc(Cl)cc1Cl ZINC000003333180 569446550 /nfs/dbraw/zinc/44/65/50/569446550.db2.gz PSYSJIPTJABSEN-SXGWCWSVSA-N 0 0 439.295 4.599 50 0 IJAARN COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000003347355 569447187 /nfs/dbraw/zinc/44/71/87/569447187.db2.gz SBINGIIPKXOIIN-UHFFFAOYSA-N 0 0 440.499 4.692 50 0 IJAARN CCc1c(C)sc2nc(-c3ccc(C(=O)Nc4ccc(NC(C)=O)cc4)cc3)[nH]c(=O)c12 ZINC000003353867 569447532 /nfs/dbraw/zinc/44/75/32/569447532.db2.gz WIWVQBHAHBDMCS-UHFFFAOYSA-N 0 0 446.532 4.733 50 0 IJAARN COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000003355892 569447632 /nfs/dbraw/zinc/44/76/32/569447632.db2.gz JUMBTGZXWGTBIH-NRFANRHFSA-N 0 0 444.369 4.940 50 0 IJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000003358798 569447774 /nfs/dbraw/zinc/44/77/74/569447774.db2.gz FKQHUXWFKBKYLT-GJZGRUSLSA-N 0 0 440.487 4.624 50 0 IJAARN COc1cccc(-n2c(S[C@H](C)C(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1 ZINC000003362980 569447990 /nfs/dbraw/zinc/44/79/90/569447990.db2.gz OLRJUSSJUUCROC-QGZVFWFLSA-N 0 0 445.544 4.538 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c(C)n1Cc1cccs1 ZINC000003362642 569447997 /nfs/dbraw/zinc/44/79/97/569447997.db2.gz YHCOWVLDNXFNIB-GOSISDBHSA-N 0 0 435.549 4.563 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccncc1 ZINC000003363039 569448002 /nfs/dbraw/zinc/44/80/02/569448002.db2.gz LURKUOSTFUWSRW-UHFFFAOYSA-N 0 0 441.560 4.857 50 0 IJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1C ZINC000003371569 569448529 /nfs/dbraw/zinc/44/85/29/569448529.db2.gz HOWYQYNATDZAPQ-UHFFFAOYSA-N 0 0 427.298 4.664 50 0 IJAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000003410826 569450105 /nfs/dbraw/zinc/45/01/05/569450105.db2.gz GXZIAOCLWXADFG-UHFFFAOYSA-N 0 0 440.477 4.969 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)Nc1cccc2nsnc21 ZINC000003420496 569450376 /nfs/dbraw/zinc/45/03/76/569450376.db2.gz DRBDIIIUEODNOH-UHFFFAOYSA-N 0 0 446.513 4.764 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003429709 569450719 /nfs/dbraw/zinc/45/07/19/569450719.db2.gz JTKWFROUBOVYQN-NSHDSACASA-N 0 0 444.746 4.553 50 0 IJAARN O=C(COC(=O)c1ccc2ncsc2c1)NCCC(c1ccccc1)c1ccccc1 ZINC000003437417 569451052 /nfs/dbraw/zinc/45/10/52/569451052.db2.gz TYQHXJBQIGYBQE-UHFFFAOYSA-N 0 0 430.529 4.792 50 0 IJAARN O=C(CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1)NC1CC1 ZINC000003445166 569451344 /nfs/dbraw/zinc/45/13/44/569451344.db2.gz OSQOKBDODFLJDM-UHFFFAOYSA-N 0 0 439.587 4.546 50 0 IJAARN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCc2ccccc21 ZINC000030978219 569451869 /nfs/dbraw/zinc/45/18/69/569451869.db2.gz VJGFNTAHFBXRCG-OAQYLSRUSA-N 0 0 447.000 4.664 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(N3CCc4ccccc4C3)cc2)c(C)c1 ZINC000058282669 569452352 /nfs/dbraw/zinc/45/23/52/569452352.db2.gz LPMBVQQWPKJRSC-UHFFFAOYSA-N 0 0 441.575 4.885 50 0 IJAARN Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1Cl ZINC000003483713 569452391 /nfs/dbraw/zinc/45/23/91/569452391.db2.gz MBWRIEOTAMCOCZ-UHFFFAOYSA-N 0 0 447.274 4.943 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000003504334 569452916 /nfs/dbraw/zinc/45/29/16/569452916.db2.gz HQNDFXRWYMMTDJ-INIZCTEOSA-N 0 0 429.567 4.559 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Br)cc2Br)c1C ZINC000003515555 569453087 /nfs/dbraw/zinc/45/30/87/569453087.db2.gz DZUSLHMGRLRALV-UHFFFAOYSA-N 0 0 429.108 4.621 50 0 IJAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003534194 569453477 /nfs/dbraw/zinc/45/34/77/569453477.db2.gz KZZBOCNVSRZSFY-VGSWGCGISA-N 0 0 432.593 4.878 50 0 IJAARN CCCN(CC(=O)Nc1ccc2ccccc2c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003584871 569454439 /nfs/dbraw/zinc/45/44/39/569454439.db2.gz XHNYYSRLCNVOND-UHFFFAOYSA-N 0 0 429.442 4.546 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Oc2ccccc21)NCc1ccc(F)cc1 ZINC000003585416 569454458 /nfs/dbraw/zinc/45/44/58/569454458.db2.gz HJUCAWCNENXBAS-LPYMAVHISA-N 0 0 436.870 4.562 50 0 IJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000003615115 569455080 /nfs/dbraw/zinc/45/50/80/569455080.db2.gz HLUMVPVQHKYOOR-VWLOTQADSA-N 0 0 427.504 4.557 50 0 IJAARN COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2ccc(C)c(C)c2O)cc1OC ZINC000003633571 569455420 /nfs/dbraw/zinc/45/54/20/569455420.db2.gz LNQLZKYPQLEEGT-QHCPKHFHSA-N 0 0 433.548 4.907 50 0 biogenic IJAARN CCOc1ccccc1N(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003661020 569455957 /nfs/dbraw/zinc/45/59/57/569455957.db2.gz GCRHREFWHNCPOH-RPBOFIJWSA-N 0 0 444.531 4.667 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NC(C)C)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661371 569455999 /nfs/dbraw/zinc/45/59/99/569455999.db2.gz KCKJZJHKIIHETC-DQEYMECFSA-N 0 0 446.522 4.840 50 0 IJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000031543643 569456714 /nfs/dbraw/zinc/45/67/14/569456714.db2.gz FKCVULVNKRJNBQ-UHFFFAOYSA-N 0 0 446.532 4.542 50 0 IJAARN COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccc(C)cc2)C3=O)c1 ZINC000031811610 569457800 /nfs/dbraw/zinc/45/78/00/569457800.db2.gz DTVOQZIZCYEELR-VWLOTQADSA-N 0 0 441.487 4.858 50 0 IJAARN COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)c1 ZINC000058970745 569458337 /nfs/dbraw/zinc/45/83/37/569458337.db2.gz FYFBWFWYNUNOMO-NSHDSACASA-N 0 0 427.136 4.581 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000004084406 569458790 /nfs/dbraw/zinc/45/87/90/569458790.db2.gz KLGDUVLGRKMZRB-ZCYQVOJMSA-N 0 0 425.532 4.645 50 0 biogenic IJAARN CCc1ccc([C@@H]2CN3C(=O)CN([C@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004084142 569458815 /nfs/dbraw/zinc/45/88/15/569458815.db2.gz CYCISJJEWYAGFQ-OKTISSRRSA-N 0 0 429.564 4.560 50 0 biogenic IJAARN CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2C ZINC000032089781 569459547 /nfs/dbraw/zinc/45/95/47/569459547.db2.gz NTERWJNXNZRPNQ-DEOSSOPVSA-N 0 0 434.927 4.962 50 0 IJAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cncc(Br)c1 ZINC000032093668 569459793 /nfs/dbraw/zinc/45/97/93/569459793.db2.gz OLEICWSBZYHAHU-UHFFFAOYSA-N 0 0 429.661 4.953 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1OC ZINC000032096060 569459912 /nfs/dbraw/zinc/45/99/12/569459912.db2.gz MTSONTSSYFQFAD-MRXNPFEDSA-N 0 0 440.887 4.701 50 0 IJAARN CCOC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004187071 569460787 /nfs/dbraw/zinc/46/07/87/569460787.db2.gz WHZOYQQQQGBCNA-AWEZNQCLSA-N 0 0 435.471 4.921 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CC[C@H](C)C[C@@H]3C)n2-c2ccccc2)c1 ZINC000059462402 569461526 /nfs/dbraw/zinc/46/15/26/569461526.db2.gz YQBILZKCSWLVFX-ROUUACIJSA-N 0 0 436.581 4.682 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)ccc21 ZINC000032449103 569461742 /nfs/dbraw/zinc/46/17/42/569461742.db2.gz CQAJLUQLYPQPPA-UHFFFAOYSA-N 0 0 426.520 4.700 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cncc(Br)c1 ZINC000032524914 569462007 /nfs/dbraw/zinc/46/20/07/569462007.db2.gz IOONNOADTOEQDK-UHFFFAOYSA-N 0 0 447.764 4.631 50 0 IJAARN COc1cc(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc(OC)c1OC ZINC000008062759 569462185 /nfs/dbraw/zinc/46/21/85/569462185.db2.gz IRNZOFOXUHQNBE-UHFFFAOYSA-N 0 0 425.550 4.967 50 0 IJAARN COc1ccc(NC(C)=O)cc1Nc1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC000008189463 569462448 /nfs/dbraw/zinc/46/24/48/569462448.db2.gz SXSOGQWPVDEDTO-UHFFFAOYSA-N 0 0 425.558 4.615 50 0 IJAARN CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000008235324 569462513 /nfs/dbraw/zinc/46/25/13/569462513.db2.gz YMDBKDBABBPCKT-QHCPKHFHSA-N 0 0 425.554 4.523 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12 ZINC000038486869 569462849 /nfs/dbraw/zinc/46/28/49/569462849.db2.gz RKLGPSDJLIGFEN-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008391213 569463210 /nfs/dbraw/zinc/46/32/10/569463210.db2.gz CWIVSDIOHNMUFC-GKVSMKOHSA-N 0 0 425.573 4.679 50 0 IJAARN CCc1cc([C@H](c2ccccc2OC)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546037 569463388 /nfs/dbraw/zinc/46/33/88/569463388.db2.gz YPIPAXFUIABXGB-NRFANRHFSA-N 0 0 426.538 4.586 50 0 IJAARN Cc1cc([C@@H](c2ccc(OC(F)F)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546157 569463483 /nfs/dbraw/zinc/46/34/83/569463483.db2.gz QFWIWWXYLJDNGI-LJQANCHMSA-N 0 0 448.491 4.925 50 0 IJAARN CCc1cc([C@@H](c2cccc(OC)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546442 569463561 /nfs/dbraw/zinc/46/35/61/569463561.db2.gz AUJAKHJFXVPNCF-JOCHJYFZSA-N 0 0 439.581 4.501 50 0 IJAARN CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546452 569463602 /nfs/dbraw/zinc/46/36/02/569463602.db2.gz HILDYMYGTKIOLS-OAQYLSRUSA-N 0 0 427.545 4.632 50 0 IJAARN COc1ccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)cc1OC ZINC000038582142 569464115 /nfs/dbraw/zinc/46/41/15/569464115.db2.gz HULLRKKZRPQSAX-UHFFFAOYSA-N 0 0 428.495 4.873 50 0 IJAARN CC(C)Cc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000067206846 569464655 /nfs/dbraw/zinc/46/46/55/569464655.db2.gz YCEJJXWPLFINSH-UHFFFAOYSA-N 0 0 425.326 4.754 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000038652889 569465731 /nfs/dbraw/zinc/46/57/31/569465731.db2.gz KPPVAQFPMWFLBZ-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(OC)c(F)c2)c1 ZINC000067258800 569466208 /nfs/dbraw/zinc/46/62/08/569466208.db2.gz VWWMEMLAKOLOIF-UHFFFAOYSA-N 0 0 436.508 4.893 50 0 IJAARN O=C1CCCN1c1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 ZINC000067259506 569466249 /nfs/dbraw/zinc/46/62/49/569466249.db2.gz QFDCSJPMDJFUJV-UHFFFAOYSA-N 0 0 447.585 4.925 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3cc(F)ccc3F)ncc2S1(=O)=O ZINC000067260124 569466293 /nfs/dbraw/zinc/46/62/93/569466293.db2.gz ASOUTCLIPHOCLO-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN CSc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288355 569467358 /nfs/dbraw/zinc/46/73/58/569467358.db2.gz VHWSCSIAMAVMQZ-UHFFFAOYSA-N 0 0 427.957 4.695 50 0 IJAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c3)n2)c1 ZINC000067289463 569467470 /nfs/dbraw/zinc/46/74/70/569467470.db2.gz AORAYZSUZJFCOR-UHFFFAOYSA-N 0 0 428.492 4.636 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)CSc1nccn3nc(-c4ccc(C)c(C)c4)cc13)CCO2 ZINC000067289908 569467523 /nfs/dbraw/zinc/46/75/23/569467523.db2.gz ISNZIFVGKIDQCX-UHFFFAOYSA-N 0 0 444.560 4.839 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1OC ZINC000067289877 569467525 /nfs/dbraw/zinc/46/75/25/569467525.db2.gz ZWXMMULBADBNKJ-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN COc1cc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc(OC)c1 ZINC000067289859 569467541 /nfs/dbraw/zinc/46/75/41/569467541.db2.gz XKQXSBOQKVMHIN-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067292847 569467754 /nfs/dbraw/zinc/46/77/54/569467754.db2.gz CYHJBEKPRVSWAI-YXKKDJNZSA-N 0 0 426.900 4.626 50 0 IJAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000067293071 569467795 /nfs/dbraw/zinc/46/77/95/569467795.db2.gz DEJOZPYUXFGOCJ-DAAIQYDRSA-N 0 0 447.318 4.889 50 0 IJAARN CCOC(=O)c1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)c1 ZINC000067295870 569467980 /nfs/dbraw/zinc/46/79/80/569467980.db2.gz UQIHXZQWLKFUMB-DAFNUICNSA-N 0 0 449.488 4.559 50 0 IJAARN CCOC(=O)c1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc1 ZINC000067295876 569468025 /nfs/dbraw/zinc/46/80/25/569468025.db2.gz KQDFYKKWAPXPEM-DAFNUICNSA-N 0 0 449.488 4.559 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(Cl)c3F)oc21 ZINC000067299063 569468153 /nfs/dbraw/zinc/46/81/53/569468153.db2.gz AHCSTLXIKUMNFA-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(I)o1 ZINC000008662702 569469994 /nfs/dbraw/zinc/46/99/94/569469994.db2.gz BYSYJXPAVGRTLA-UHFFFAOYSA-N 0 0 445.216 4.648 50 0 IJAARN CC(C)n1c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O ZINC000008705190 569470372 /nfs/dbraw/zinc/47/03/72/569470372.db2.gz JDBMPWZSZYKFBB-QGZVFWFLSA-N 0 0 435.593 4.826 50 0 IJAARN c1ccc(C(Sc2nnc(N3CCOCC3)n2-c2ccccc2)c2ccccc2)cc1 ZINC000008711014 569470978 /nfs/dbraw/zinc/47/09/78/569470978.db2.gz YPOFLSOUAKPXGY-UHFFFAOYSA-N 0 0 428.561 4.986 50 0 IJAARN COc1ccccc1C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@](O)(C(F)(F)F)C1 ZINC000008711400 569471020 /nfs/dbraw/zinc/47/10/20/569471020.db2.gz MKMPLSSJSHQOKW-LJQANCHMSA-N 0 0 437.418 4.823 50 0 IJAARN O=C(COc1ccc(-c2nc3ccccc3s2)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000008718678 569471295 /nfs/dbraw/zinc/47/12/95/569471295.db2.gz LUETXEGGLSRYJD-UHFFFAOYSA-N 0 0 431.517 4.789 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1Cl ZINC000008719624 569471455 /nfs/dbraw/zinc/47/14/55/569471455.db2.gz LCOJQUKUVAGXHO-UHFFFAOYSA-N 0 0 436.961 4.554 50 0 IJAARN CN(Cc1ccc(F)cc1)C(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000008720197 569471515 /nfs/dbraw/zinc/47/15/15/569471515.db2.gz AMDISFNXENPVRA-UHFFFAOYSA-N 0 0 434.334 4.729 50 0 IJAARN COc1ccc(CC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000008720493 569471561 /nfs/dbraw/zinc/47/15/61/569471561.db2.gz GZYPKFTTWNNRDW-GOSISDBHSA-N 0 0 429.520 4.805 50 0 IJAARN COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1ccccn1 ZINC000008740435 569472875 /nfs/dbraw/zinc/47/28/75/569472875.db2.gz QEUTXHSKPGWBQK-NFBKMPQASA-N 0 0 445.544 4.552 50 0 biogenic IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008746925 569473101 /nfs/dbraw/zinc/47/31/01/569473101.db2.gz JYMZDYJONXRCAY-UHFFFAOYSA-N 0 0 448.548 4.917 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000008747554 569473122 /nfs/dbraw/zinc/47/31/22/569473122.db2.gz MLTCCCWFSVPPSN-UHFFFAOYSA-N 0 0 430.508 4.932 50 0 IJAARN COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000008748518 569473233 /nfs/dbraw/zinc/47/32/33/569473233.db2.gz NANCRMOZXVGFSI-QHCPKHFHSA-N 0 0 434.561 4.852 50 0 IJAARN COc1ccc(-c2cc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)ccc2OC)cc1 ZINC000008749998 569473374 /nfs/dbraw/zinc/47/33/74/569473374.db2.gz QSEQZACCVDWDSM-JOCHJYFZSA-N 0 0 434.517 4.812 50 0 IJAARN Cc1sc2nc(S[C@H](C(=O)NC3CC3)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000008754668 569473853 /nfs/dbraw/zinc/47/38/53/569473853.db2.gz ZHAUWMKIJXRZQE-SFHVURJKSA-N 0 0 427.595 4.768 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008758524 569474159 /nfs/dbraw/zinc/47/41/59/569474159.db2.gz PCRBZFFIJQHUFL-GOSISDBHSA-N 0 0 445.494 4.761 50 0 IJAARN COC(=O)c1c(/C=C/c2c[nH]c(=O)c3c(-c4ccccc4)noc32)onc1-c1ccccc1 ZINC000008762193 569474301 /nfs/dbraw/zinc/47/43/01/569474301.db2.gz WRGHJJJAIBSOFC-OUKQBFOZSA-N 0 0 439.427 4.795 50 0 IJAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1ccc2[nH]ccc2c1 ZINC000008765433 569474754 /nfs/dbraw/zinc/47/47/54/569474754.db2.gz RWFTVEXOSPWLBX-UHFFFAOYSA-N 0 0 426.428 4.664 50 0 biogenic IJAARN CCOc1cc(C(=O)OCC(=O)Nc2c(CC)cccc2CC)cc(OCC)c1OCC ZINC000008766386 569474794 /nfs/dbraw/zinc/47/47/94/569474794.db2.gz AXRLTEGLMGAIAP-UHFFFAOYSA-N 0 0 443.540 4.803 50 0 IJAARN O=C1C[C@@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000008769173 569474983 /nfs/dbraw/zinc/47/49/83/569474983.db2.gz LMOPQHLYLNVECS-QFIPXVFZSA-N 0 0 425.271 4.973 50 0 IJAARN O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)C12CC3CC(CC(C3)C1)C2 ZINC000008782435 569475828 /nfs/dbraw/zinc/47/58/28/569475828.db2.gz BAGDEVYEUDZQTK-UHFFFAOYSA-N 0 0 425.401 4.782 50 0 IJAARN COCCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1 ZINC000008791472 569476213 /nfs/dbraw/zinc/47/62/13/569476213.db2.gz VOWALIDUQKNNOX-UHFFFAOYSA-N 0 0 433.504 4.908 50 0 biogenic IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008824737 569477243 /nfs/dbraw/zinc/47/72/43/569477243.db2.gz MLKFYFGPXRBSDE-UHFFFAOYSA-N 0 0 442.500 4.909 50 0 IJAARN c1c2c(sc1-c1nnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o1)CCCC2 ZINC000008825805 569477468 /nfs/dbraw/zinc/47/74/68/569477468.db2.gz NDTPGIMCEJUUBS-UHFFFAOYSA-N 0 0 440.506 4.748 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CCCCCC3)n2-c2ccc(C)cc2)c1 ZINC000008826285 569477552 /nfs/dbraw/zinc/47/75/52/569477552.db2.gz CSIQRXVSCYCQLQ-UHFFFAOYSA-N 0 0 436.581 4.746 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O ZINC000008828148 569477773 /nfs/dbraw/zinc/47/77/73/569477773.db2.gz HFKQHNVHMSPXFX-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc(Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)o2)cc1 ZINC000008828318 569477831 /nfs/dbraw/zinc/47/78/31/569477831.db2.gz VJQFGUBPVSPWEC-UHFFFAOYSA-N 0 0 440.565 4.652 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846056 569478997 /nfs/dbraw/zinc/47/89/97/569478997.db2.gz KQBDIHVQQYTLCQ-QHCPKHFHSA-N 0 0 426.472 4.722 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000008851496 569479397 /nfs/dbraw/zinc/47/93/97/569479397.db2.gz IVGIXOGMDDZCTK-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852043 569479436 /nfs/dbraw/zinc/47/94/36/569479436.db2.gz IBMHSRXTNXUYNX-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000008852809 569479502 /nfs/dbraw/zinc/47/95/02/569479502.db2.gz ALZBUVREGXQOQE-INIZCTEOSA-N 0 0 425.579 4.602 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1 ZINC000008852851 569479506 /nfs/dbraw/zinc/47/95/06/569479506.db2.gz HSJWPBFJJJBYRQ-INIZCTEOSA-N 0 0 437.590 4.703 50 0 IJAARN Cc1ccc2c(nc3s/c(=C\c4ccc(OCc5ccccc5F)cc4)c(=O)n23)c1C ZINC000008854907 569479660 /nfs/dbraw/zinc/47/96/60/569479660.db2.gz FBZBPTVYADNGAE-XKZIYDEJSA-N 0 0 430.504 4.792 50 0 IJAARN Cc1ccc(-c2cc(-c3nnc(SCC(=O)N4CCCC4)n3C)c3ccccc3n2)cc1 ZINC000008861296 569479966 /nfs/dbraw/zinc/47/99/66/569479966.db2.gz UGBALHJLKFJDTJ-UHFFFAOYSA-N 0 0 443.576 4.720 50 0 IJAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1C ZINC000008862389 569480158 /nfs/dbraw/zinc/48/01/58/569480158.db2.gz JBVGKCNNSOUJQA-HHHXNRCGSA-N 0 0 437.499 4.954 50 0 IJAARN CC(C)(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869671 569480502 /nfs/dbraw/zinc/48/05/02/569480502.db2.gz WSHIKFJELHFCED-QYFOZDBKSA-N 0 0 446.012 4.867 50 0 IJAARN CC(C)=CCOc1ccc2c(C)c(CCC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1C ZINC000008877153 569481179 /nfs/dbraw/zinc/48/11/79/569481179.db2.gz WZABNXQMTQMZST-HSZRJFAPSA-N 0 0 449.547 4.537 50 0 biogenic IJAARN COc1ccc(CNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000039844513 569481914 /nfs/dbraw/zinc/48/19/14/569481914.db2.gz ISDRTPBJSSIAOG-UHFFFAOYSA-N 0 0 438.480 4.934 50 0 IJAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1csc(-c2ccsc2)n1 ZINC000039983768 569482297 /nfs/dbraw/zinc/48/22/97/569482297.db2.gz YYHJKZLIARFSBP-SFHVURJKSA-N 0 0 430.551 4.866 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)CCCc3nc(-c4ccccc4)no3)cc2)cs1 ZINC000040012268 569482494 /nfs/dbraw/zinc/48/24/94/569482494.db2.gz YAPSMMUPQOUEHZ-UHFFFAOYSA-N 0 0 432.549 4.850 50 0 IJAARN C[C@@H](S[C@H](C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000040018166 569482678 /nfs/dbraw/zinc/48/26/78/569482678.db2.gz MSBUWUSKZSQCAN-HUUCEWRRSA-N 0 0 434.569 4.508 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1cc(F)cc(F)c1 ZINC000040020120 569482698 /nfs/dbraw/zinc/48/26/98/569482698.db2.gz QLEACXDFVNXZNN-UHFFFAOYSA-N 0 0 431.851 4.695 50 0 IJAARN C[C@@H](S[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000040018164 569482705 /nfs/dbraw/zinc/48/27/05/569482705.db2.gz MSBUWUSKZSQCAN-CABCVRRESA-N 0 0 434.569 4.508 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)COc2ccc(-c3nnco3)cc2)cc1OCCC ZINC000008883273 569483049 /nfs/dbraw/zinc/48/30/49/569483049.db2.gz LACYYMHUKSJCCO-KRWDZBQOSA-N 0 0 439.512 4.570 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Oc2ccc(NC(=O)c3cccc(C)c3)cc2)no1 ZINC000040032349 569483094 /nfs/dbraw/zinc/48/30/94/569483094.db2.gz FVWLRUXBMYPWMC-UHFFFAOYSA-N 0 0 443.459 4.737 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000040040077 569483388 /nfs/dbraw/zinc/48/33/88/569483388.db2.gz WTWCOLGKVSJQJP-HXUWFJFHSA-N 0 0 439.581 4.617 50 0 IJAARN Cc1cccc(COc2cccc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c2)c1 ZINC000040040730 569483533 /nfs/dbraw/zinc/48/35/33/569483533.db2.gz JHQOYMGDNUBQAU-UHFFFAOYSA-N 0 0 428.532 4.609 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000040049393 569483836 /nfs/dbraw/zinc/48/38/36/569483836.db2.gz IHJQWLDAQYQKDB-CYBMUJFWSA-N 0 0 444.534 4.621 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)nc1-c1ccccc1 ZINC000040058818 569484695 /nfs/dbraw/zinc/48/46/95/569484695.db2.gz PAXNABQSCZHSKO-INIZCTEOSA-N 0 0 439.562 4.565 50 0 IJAARN CSc1ccc(CNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000008912207 569484984 /nfs/dbraw/zinc/48/49/84/569484984.db2.gz PSYWKLBNJDLIFW-UHFFFAOYSA-N 0 0 448.617 4.935 50 0 IJAARN COc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(C)c2)cc1OC ZINC000008913003 569485180 /nfs/dbraw/zinc/48/51/80/569485180.db2.gz IAVQMCVIRUXDBX-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(OC)c2)cc1 ZINC000008913407 569485308 /nfs/dbraw/zinc/48/53/08/569485308.db2.gz AQPQDXNUYYNMJN-UHFFFAOYSA-N 0 0 432.549 4.530 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)cc3cc(OC)c(OC)cc32)cc1 ZINC000008915662 569485587 /nfs/dbraw/zinc/48/55/87/569485587.db2.gz IAMSSUBBDFVPIQ-OAQYLSRUSA-N 0 0 435.520 4.832 50 0 IJAARN O=C(Nc1cccc2ccccc21)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000008916932 569485886 /nfs/dbraw/zinc/48/58/86/569485886.db2.gz OFROKXAYAZNVND-UHFFFAOYSA-N 0 0 437.908 4.509 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(F)cc3)nc3ccccc31)CCC2 ZINC000008917432 569486052 /nfs/dbraw/zinc/48/60/52/569486052.db2.gz LFKRWQVJANGCDE-UHFFFAOYSA-N 0 0 431.492 4.942 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000040099021 569487563 /nfs/dbraw/zinc/48/75/63/569487563.db2.gz JKJAZJQOTYNLIV-FQEVSTJZSA-N 0 0 449.473 4.920 50 0 IJAARN Cc1ccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)cc1C ZINC000008933041 569487773 /nfs/dbraw/zinc/48/77/73/569487773.db2.gz BZXQUQKBOGWMJD-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000008938231 569488229 /nfs/dbraw/zinc/48/82/29/569488229.db2.gz WLVJTBUJGZYPFJ-HOTGVXAUSA-N 0 0 427.545 4.550 50 0 IJAARN O=C(COc1cccc(Oc2ccccn2)c1)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110584 569488764 /nfs/dbraw/zinc/48/87/64/569488764.db2.gz LUWWQFUOHMMXEE-UHFFFAOYSA-N 0 0 427.460 4.756 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2CC(C)C)sc1C ZINC000008946161 569489049 /nfs/dbraw/zinc/48/90/49/569489049.db2.gz ZYHNHDNLKMDECS-MRXNPFEDSA-N 0 0 429.615 4.718 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(NC(=O)CCn2ccnc2)c1 ZINC000040117557 569489287 /nfs/dbraw/zinc/48/92/87/569489287.db2.gz XVMCTMRVQGCYCJ-UHFFFAOYSA-N 0 0 446.482 4.882 50 0 IJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc(C(F)(F)F)c4)C3=O)co2)cc1 ZINC000040116711 569489295 /nfs/dbraw/zinc/48/92/95/569489295.db2.gz UROQTTDDZANLTC-OAQYLSRUSA-N 0 0 429.398 4.636 50 0 IJAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C)n(Cc4ccccc4)c3C)c2)n1 ZINC000040122444 569489661 /nfs/dbraw/zinc/48/96/61/569489661.db2.gz PNMQEMYITXYVIG-UHFFFAOYSA-N 0 0 426.520 4.718 50 0 IJAARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2OC)C1=O ZINC000008951218 569489793 /nfs/dbraw/zinc/48/97/93/569489793.db2.gz NRAJQZOTJHYXBD-JZJYNLBNSA-N 0 0 437.499 4.692 50 0 IJAARN CC(C)CN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008952248 569490002 /nfs/dbraw/zinc/49/00/02/569490002.db2.gz HFXWURVDXUAUAM-BVZFJXPGSA-N 0 0 435.955 4.509 50 0 biogenic IJAARN CC[C@@H](C)N1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008952038 569490019 /nfs/dbraw/zinc/49/00/19/569490019.db2.gz LYCAFHNRNMDXRL-DZQNVJDRSA-N 0 0 435.955 4.651 50 0 biogenic IJAARN CCOc1cc(C(=O)Nc2nc3c(s2)c(OC)ccc3OC)cc(OCC)c1OCC ZINC000008956144 569490241 /nfs/dbraw/zinc/49/02/41/569490241.db2.gz ZMNWYXOHKJLQQA-UHFFFAOYSA-N 0 0 446.525 4.762 50 0 IJAARN CCN1c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2OCC(C)(C)C1=O ZINC000008959505 569490333 /nfs/dbraw/zinc/49/03/33/569490333.db2.gz GPMBKNJTWLHJHE-UHFFFAOYSA-N 0 0 437.323 4.782 50 0 IJAARN CCCN1c2cc(NC(=O)c3cccc(Br)c3)ccc2OCC(C)(C)C1=O ZINC000008959689 569490369 /nfs/dbraw/zinc/49/03/69/569490369.db2.gz LWFDYMCCASNAHM-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000040132471 569490394 /nfs/dbraw/zinc/49/03/94/569490394.db2.gz MOMRVLKUUMVLKM-INIZCTEOSA-N 0 0 429.488 4.772 50 0 IJAARN CN(C(=O)COc1ccc(F)cc1Br)[C@@H](c1ccccc1)c1ccccn1 ZINC000040134784 569490571 /nfs/dbraw/zinc/49/05/71/569490571.db2.gz ZFMXPUMGIXTIET-NRFANRHFSA-N 0 0 429.289 4.610 50 0 IJAARN COc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1C ZINC000008961321 569490952 /nfs/dbraw/zinc/49/09/52/569490952.db2.gz ZUTZXTZYZRQAJA-UHFFFAOYSA-N 0 0 438.505 4.779 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc1O2 ZINC000008961462 569491124 /nfs/dbraw/zinc/49/11/24/569491124.db2.gz JATSWAHQLNIYER-UHFFFAOYSA-N 0 0 446.887 4.971 50 0 IJAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008977268 569492942 /nfs/dbraw/zinc/49/29/42/569492942.db2.gz JTABWPNPHMGUAC-UHFFFAOYSA-N 0 0 448.569 4.901 50 0 IJAARN Cc1ccccc1C[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000040155935 569494007 /nfs/dbraw/zinc/49/40/07/569494007.db2.gz VJMHNEDMCONXOI-FDDCHVKYSA-N 0 0 445.588 4.626 50 0 IJAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000040157997 569494480 /nfs/dbraw/zinc/49/44/80/569494480.db2.gz SVODULZRYIMCOW-HSZRJFAPSA-N 0 0 448.523 4.632 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(C)c(C)c2)cc1 ZINC000008983539 569494666 /nfs/dbraw/zinc/49/46/66/569494666.db2.gz YWGSHVBHYQVIGZ-UHFFFAOYSA-N 0 0 440.609 4.814 50 0 IJAARN COc1ccc2c(CC(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)coc2c1 ZINC000008986902 569494800 /nfs/dbraw/zinc/49/48/00/569494800.db2.gz AYSKBVAYCVZYSG-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@H](C)C(=O)Nc1ccccc1F ZINC000008988556 569494956 /nfs/dbraw/zinc/49/49/56/569494956.db2.gz UPHNKNVLTFNVQT-CYBMUJFWSA-N 0 0 433.936 4.964 50 0 IJAARN CCCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1nnc(-c2ccco2)o1 ZINC000040161549 569495167 /nfs/dbraw/zinc/49/51/67/569495167.db2.gz BRHRGOVAROJGPQ-UHFFFAOYSA-N 0 0 442.825 4.853 50 0 IJAARN CCOCCCn1c(S[C@H](C)C(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000009013653 569496599 /nfs/dbraw/zinc/49/65/99/569496599.db2.gz PEKBXOMWSGXSMZ-MRXNPFEDSA-N 0 0 430.595 4.865 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000009049658 569498546 /nfs/dbraw/zinc/49/85/46/569498546.db2.gz HWODFIUMTSQMLM-ZDUSSCGKSA-N 0 0 433.936 4.569 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccccc3F)o2)c1 ZINC000009050409 569498586 /nfs/dbraw/zinc/49/85/86/569498586.db2.gz XZVHXUYGFYQDID-KBPBESRZSA-N 0 0 429.473 4.671 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)Oc3ccccc3F)o2)c1 ZINC000009050421 569498600 /nfs/dbraw/zinc/49/86/00/569498600.db2.gz XZVHXUYGFYQDID-UONOGXRCSA-N 0 0 429.473 4.671 50 0 IJAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000009073174 569500184 /nfs/dbraw/zinc/50/01/84/569500184.db2.gz SLHGTHPHJDBWSG-HNNXBMFYSA-N 0 0 431.970 4.847 50 0 IJAARN O=C(N/C(=C/c1cccs1)C(=O)N1CCCCCC1)c1cccc(Br)c1 ZINC000009075786 569500208 /nfs/dbraw/zinc/50/02/08/569500208.db2.gz ZQOLDRKIEMVHIS-NBVRZTHBSA-N 0 0 433.371 4.684 50 0 IJAARN CCn1c(SCc2ccc(C(=O)NCc3ccco3)cc2)nnc1-c1cccc(OC)c1 ZINC000040387383 569500945 /nfs/dbraw/zinc/50/09/45/569500945.db2.gz DRSXZVJXJJURJR-UHFFFAOYSA-N 0 0 448.548 4.789 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c(Cl)c3)C(C)C)n2)cc1OC ZINC000009095316 569501326 /nfs/dbraw/zinc/50/13/26/569501326.db2.gz CXZOOWABZPHRDD-UHFFFAOYSA-N 0 0 429.904 4.766 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2F)n1 ZINC000069350555 569501703 /nfs/dbraw/zinc/50/17/03/569501703.db2.gz UHMAOPMCWSIDQH-UHFFFAOYSA-N 0 0 432.286 4.764 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)c2cc(Cl)ccc2O1 ZINC000245276363 569501971 /nfs/dbraw/zinc/50/19/71/569501971.db2.gz UXYWMWCRIZHMHD-WOCWXWTJSA-N 0 0 448.007 4.700 50 0 IJAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009111707 569502314 /nfs/dbraw/zinc/50/23/14/569502314.db2.gz CZOCTTWUQNRYRT-SFHVURJKSA-N 0 0 430.533 4.966 50 0 IJAARN O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1F ZINC000009113810 569502545 /nfs/dbraw/zinc/50/25/45/569502545.db2.gz SGXOAEZATCSNDQ-UHFFFAOYSA-N 0 0 426.860 4.809 50 0 IJAARN Cc1cccc(C)c1-n1nnnc1SCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009114016 569502557 /nfs/dbraw/zinc/50/25/57/569502557.db2.gz HHKZBFKXMPPWGP-UHFFFAOYSA-N 0 0 426.933 4.707 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000009115857 569502880 /nfs/dbraw/zinc/50/28/80/569502880.db2.gz CJNRFVISPMHOEM-LJAQVGFWSA-N 0 0 431.941 4.711 50 0 IJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009119548 569503492 /nfs/dbraw/zinc/50/34/92/569503492.db2.gz PIWUWCMNGFYURA-UHFFFAOYSA-N 0 0 448.482 4.883 50 0 IJAARN C[C@H]1CSC(N(C(=O)CCCn2c(=O)oc3ccccc32)c2ccc(Cl)cc2)=N1 ZINC000009126522 569504934 /nfs/dbraw/zinc/50/49/34/569504934.db2.gz YIWDUSJQARBANT-AWEZNQCLSA-N 0 0 429.929 4.553 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(Cc1nc(=O)c3c(-c4ccccc4)csc3[nH]1)CC2 ZINC000009129195 569505672 /nfs/dbraw/zinc/50/56/72/569505672.db2.gz YLOCLXXTESMYNO-HNNXBMFYSA-N 0 0 447.560 4.788 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc(OC)c1OC ZINC000009135329 569507088 /nfs/dbraw/zinc/50/70/88/569507088.db2.gz FCKNPDHWBUVTAZ-UHFFFAOYSA-N 0 0 448.475 4.655 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCCC2=CCCCC2)c2ccccc23)cc1 ZINC000009152447 569507796 /nfs/dbraw/zinc/50/77/96/569507796.db2.gz MTTIKNVUHVRLOH-UHFFFAOYSA-N 0 0 447.564 4.721 50 0 IJAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000009156491 569508343 /nfs/dbraw/zinc/50/83/43/569508343.db2.gz FYPINTDGQZTBOP-UHFFFAOYSA-N 0 0 435.505 4.879 50 0 IJAARN COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009161446 569508750 /nfs/dbraw/zinc/50/87/50/569508750.db2.gz PCUAMCCSYLVCDM-OAQYLSRUSA-N 0 0 448.862 4.608 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000009166923 569508926 /nfs/dbraw/zinc/50/89/26/569508926.db2.gz QPCXAQJHICNJDB-UHFFFAOYSA-N 0 0 449.507 4.886 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2OCC(C)(C)C1=O ZINC000009167593 569508992 /nfs/dbraw/zinc/50/89/92/569508992.db2.gz ZSTJXEVTNQTQBU-UHFFFAOYSA-N 0 0 430.570 4.574 50 0 IJAARN CC(C)CN1c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009168060 569509112 /nfs/dbraw/zinc/50/91/12/569509112.db2.gz QDJQVPWAECFSCH-UHFFFAOYSA-N 0 0 436.961 4.548 50 0 IJAARN CCN1c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009170425 569509295 /nfs/dbraw/zinc/50/92/95/569509295.db2.gz SWTWDMUIYRLUTR-UHFFFAOYSA-N 0 0 430.570 4.556 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009172083 569509471 /nfs/dbraw/zinc/50/94/71/569509471.db2.gz DHKVSBRXYSLPKY-UHFFFAOYSA-N 0 0 430.570 4.772 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009174091 569509608 /nfs/dbraw/zinc/50/96/08/569509608.db2.gz IYZYTPDATSCNMY-UHFFFAOYSA-N 0 0 430.570 4.594 50 0 IJAARN Cc1ccc(C)c(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)c1 ZINC000009179423 569509760 /nfs/dbraw/zinc/50/97/60/569509760.db2.gz WEQXGVCDAKUWFO-KRWDZBQOSA-N 0 0 442.968 4.821 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1OCCC ZINC000009195059 569510919 /nfs/dbraw/zinc/51/09/19/569510919.db2.gz ZOBICYLEKHLGPW-UHFFFAOYSA-N 0 0 445.903 4.985 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4cc(C)ccc4[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000009202864 569511241 /nfs/dbraw/zinc/51/12/41/569511241.db2.gz OWOPMVMKWOMBHT-NRFANRHFSA-N 0 0 446.532 4.943 50 0 IJAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009207009 569511389 /nfs/dbraw/zinc/51/13/89/569511389.db2.gz QEFDPCYJZNYNQJ-UHFFFAOYSA-N 0 0 443.591 4.950 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009207425 569511429 /nfs/dbraw/zinc/51/14/29/569511429.db2.gz UBQJFNTWAIVVEZ-UHFFFAOYSA-N 0 0 426.517 4.987 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000009207904 569511462 /nfs/dbraw/zinc/51/14/62/569511462.db2.gz TYVXBQSIUAZVLC-WZONZLPQSA-N 0 0 436.943 4.639 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000009212014 569511939 /nfs/dbraw/zinc/51/19/39/569511939.db2.gz JIRUAUPPGWYZTI-HKBQPEDESA-N 0 0 430.529 4.888 50 0 IJAARN Cc1oc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212150 569511971 /nfs/dbraw/zinc/51/19/71/569511971.db2.gz ISPMVKUXMYBLKX-UHFFFAOYSA-N 0 0 438.549 4.558 50 0 IJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000009217075 569512240 /nfs/dbraw/zinc/51/22/40/569512240.db2.gz ZQPYQXLLKLTZFC-UHFFFAOYSA-N 0 0 442.544 4.804 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n[nH]2)cc1 ZINC000009220811 569512633 /nfs/dbraw/zinc/51/26/33/569512633.db2.gz PDSDEBVMGIPEFZ-UHFFFAOYSA-N 0 0 437.569 4.592 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N4c5ccccc5C[C@@H]4C)n3c2c1 ZINC000009221055 569512645 /nfs/dbraw/zinc/51/26/45/569512645.db2.gz HYUGQLJNOOGNNT-HOTGVXAUSA-N 0 0 432.549 4.658 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NCCCOC)c3c(n[nH]c3-c3ccc(C)cc3)n2)cc1 ZINC000009228183 569513571 /nfs/dbraw/zinc/51/35/71/569513571.db2.gz UOOPTPUSDHJTJX-UHFFFAOYSA-N 0 0 444.535 4.765 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1cccnc1)C3=O ZINC000009233383 569513856 /nfs/dbraw/zinc/51/38/56/569513856.db2.gz PEJCUCMXSXPYAG-OAQYLSRUSA-N 0 0 432.863 4.601 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000009237009 569514223 /nfs/dbraw/zinc/51/42/23/569514223.db2.gz FUDKXAZTKXHHRO-VQTJNVASSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238245 569514270 /nfs/dbraw/zinc/51/42/70/569514270.db2.gz SHWDVGJZZXFRIT-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1 ZINC000009238217 569514280 /nfs/dbraw/zinc/51/42/80/569514280.db2.gz UWKLHWBHKMULPQ-FCHUYYIVSA-N 0 0 441.560 4.905 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)c1 ZINC000009238308 569514308 /nfs/dbraw/zinc/51/43/08/569514308.db2.gz HFAQSBUBLHTZQL-RTWAWAEBSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239240 569514505 /nfs/dbraw/zinc/51/45/05/569514505.db2.gz DDHPODDYMWGTPG-OALUTQOASA-N 0 0 445.951 4.729 50 0 IJAARN COc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)c1 ZINC000009242939 569514766 /nfs/dbraw/zinc/51/47/66/569514766.db2.gz FNPHXLHNNFJODT-RUZDIDTESA-N 0 0 425.488 4.579 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2cccnc2)C3=O)c1 ZINC000009243326 569514835 /nfs/dbraw/zinc/51/48/35/569514835.db2.gz FQYQNEKUULWCKP-QHCPKHFHSA-N 0 0 428.467 4.679 50 0 IJAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1C ZINC000009250161 569515645 /nfs/dbraw/zinc/51/56/45/569515645.db2.gz KDMMBPKHZOOFJF-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000009250112 569515656 /nfs/dbraw/zinc/51/56/56/569515656.db2.gz RSPFICRYXNCMSZ-UHFFFAOYSA-N 0 0 449.576 4.676 50 0 IJAARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009250183 569515709 /nfs/dbraw/zinc/51/57/09/569515709.db2.gz XZOZARLZEHIOKN-UHFFFAOYSA-N 0 0 436.533 4.943 50 0 IJAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(C)cc1 ZINC000009250470 569515722 /nfs/dbraw/zinc/51/57/22/569515722.db2.gz BWZRZGLPFNBUDU-HSZRJFAPSA-N 0 0 437.547 4.965 50 0 IJAARN CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)Cc3cccc4ccccc43)oc21 ZINC000009254532 569516375 /nfs/dbraw/zinc/51/63/75/569516375.db2.gz IEZHLUZLZKNDDV-QGZVFWFLSA-N 0 0 430.504 4.521 50 0 IJAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1)c1ccc[nH]1 ZINC000009255723 569516623 /nfs/dbraw/zinc/51/66/23/569516623.db2.gz GZUICVWCZQGDPX-UHFFFAOYSA-N 0 0 438.940 4.862 50 0 IJAARN CCN(CCO)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009281793 569518620 /nfs/dbraw/zinc/51/86/20/569518620.db2.gz WFXDIJSTKXRLRX-UHFFFAOYSA-N 0 0 446.642 4.755 50 0 IJAARN CC(C)(NC(=O)Nc1cccnc1)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1 ZINC000009283006 569518812 /nfs/dbraw/zinc/51/88/12/569518812.db2.gz LIQIDZGLICOHPT-UHFFFAOYSA-N 0 0 432.528 4.590 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000009285365 569519165 /nfs/dbraw/zinc/51/91/65/569519165.db2.gz JOXSWMRZTUMBJG-NPPFBWRTSA-N 0 0 449.624 4.925 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009288273 569519352 /nfs/dbraw/zinc/51/93/52/569519352.db2.gz PACYPQUTGBMEIU-HSZRJFAPSA-N 0 0 426.476 4.678 50 0 IJAARN Cc1nn(CCCC(=O)N[C@H]2CCCc3ccccc32)c(=O)c2c3ccccc3sc21 ZINC000009289633 569519567 /nfs/dbraw/zinc/51/95/67/569519567.db2.gz HTPQYHIMPMPZRF-FQEVSTJZSA-N 0 0 431.561 4.894 50 0 IJAARN Cc1nn(CCCC(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2c3ccccc3sc21 ZINC000009289629 569519582 /nfs/dbraw/zinc/51/95/82/569519582.db2.gz HTPQYHIMPMPZRF-HXUWFJFHSA-N 0 0 431.561 4.894 50 0 IJAARN CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000009289873 569519658 /nfs/dbraw/zinc/51/96/58/569519658.db2.gz MSURZZKCHRLKLZ-ZDUSSCGKSA-N 0 0 428.489 4.513 50 0 IJAARN CC(C)Cc1noc(CN2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069815116 569519787 /nfs/dbraw/zinc/51/97/87/569519787.db2.gz RRMFOIYVMHAEHE-QGZVFWFLSA-N 0 0 427.936 4.741 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccnc2)N1Cc1ccccc1 ZINC000009293303 569520223 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Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=N)cc1 ZINC000009319331 569522446 /nfs/dbraw/zinc/52/24/46/569522446.db2.gz PQJFTEGBYKRZCR-UHFFFAOYSA-N 0 0 436.103 4.998 50 0 IJAARN COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000009320677 569522563 /nfs/dbraw/zinc/52/25/63/569522563.db2.gz UEKRRFZNYAHPEY-OAHLLOKOSA-N 0 0 427.547 4.650 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)c2ccccc2S1 ZINC000009339316 569523717 /nfs/dbraw/zinc/52/37/17/569523717.db2.gz AWEIOZGCRBNIKY-AWEZNQCLSA-N 0 0 430.986 4.930 50 0 IJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C1/C=C(c2ccc3c(c2)OCCO3)Oc2ccccc21 ZINC000009340277 569523819 /nfs/dbraw/zinc/52/38/19/569523819.db2.gz VUJQTAOHLLQKMO-CLCOLTQESA-N 0 0 441.414 4.745 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000009344684 569524001 /nfs/dbraw/zinc/52/40/01/569524001.db2.gz NMAKJCSTXJIZLA-RTBURBONSA-N 0 0 449.898 4.932 50 0 IJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000009347394 569524259 /nfs/dbraw/zinc/52/42/59/569524259.db2.gz LRLMMPRUIACFCX-UHFFFAOYSA-N 0 0 443.546 4.638 50 0 IJAARN COCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1 ZINC000009348671 569524494 /nfs/dbraw/zinc/52/44/94/569524494.db2.gz BMOIVEYARQEHBB-UHFFFAOYSA-N 0 0 439.895 4.863 50 0 IJAARN COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1OC ZINC000009355461 569525227 /nfs/dbraw/zinc/52/52/27/569525227.db2.gz MOGFTQQZGLXRPW-AREMUKBSSA-N 0 0 426.516 4.983 50 0 IJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009360966 569525753 /nfs/dbraw/zinc/52/57/53/569525753.db2.gz ZXFBTPLNHCOFEY-FQEVSTJZSA-N 0 0 430.335 4.876 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 ZINC000009365001 569526077 /nfs/dbraw/zinc/52/60/77/569526077.db2.gz CZUJMRVGWSMQNH-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3cc(C)cc(C)c3)s2)c1 ZINC000009365066 569526112 /nfs/dbraw/zinc/52/61/12/569526112.db2.gz GRHKONFHOHNUQQ-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)Nc1ccc(F)cc1 ZINC000009365729 569526149 /nfs/dbraw/zinc/52/61/49/569526149.db2.gz LXOPILCWWGCUID-UHFFFAOYSA-N 0 0 446.573 4.563 50 0 IJAARN COc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cc1 ZINC000009366807 569526292 /nfs/dbraw/zinc/52/62/92/569526292.db2.gz GAVCMZRTJNQLIZ-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)Nc1ccc(F)cc1 ZINC000009368347 569526604 /nfs/dbraw/zinc/52/66/04/569526604.db2.gz DTEFYFZXCXCONE-UHFFFAOYSA-N 0 0 438.509 4.814 50 0 IJAARN COc1cccc(-c2noc(CSc3nnc(N4CCCC4)n3-c3ccc(C)cc3)n2)c1 ZINC000009368703 569526650 /nfs/dbraw/zinc/52/66/50/569526650.db2.gz BTDVBPGBABGPHB-UHFFFAOYSA-N 0 0 448.552 4.527 50 0 IJAARN CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1-c1cccc(Cl)c1 ZINC000009369023 569526668 /nfs/dbraw/zinc/52/66/68/569526668.db2.gz UHDWNZMJSARVPW-UHFFFAOYSA-N 0 0 426.851 4.591 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2scc(-c3ccccc3)c21 ZINC000009376337 569527346 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IJAARN Cc1cc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c(C)n1CC(F)(F)F ZINC000009390029 569528647 /nfs/dbraw/zinc/52/86/47/569528647.db2.gz HAMWJKKOFLVUMA-UHFFFAOYSA-N 0 0 448.397 4.552 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc(OC)c1OC ZINC000009391590 569528988 /nfs/dbraw/zinc/52/89/88/569528988.db2.gz YDJJXFPBYIREMA-UHFFFAOYSA-N 0 0 445.928 4.551 50 0 IJAARN CCOC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000009404431 569529655 /nfs/dbraw/zinc/52/96/55/569529655.db2.gz MKHPYJHNBNBTOS-UHFFFAOYSA-N 0 0 435.295 4.547 50 0 IJAARN O=c1c2nccnc2nc(SCc2ccccc2Cl)n1CCc1c[nH]c2ccccc12 ZINC000009405268 569529795 /nfs/dbraw/zinc/52/97/95/569529795.db2.gz HDHJHVKYKDJSJH-UHFFFAOYSA-N 0 0 447.951 4.856 50 0 IJAARN COc1ccccc1CNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C ZINC000009407803 569530324 /nfs/dbraw/zinc/53/03/24/569530324.db2.gz ZGRVVBDBDPXSNQ-UHFFFAOYSA-N 0 0 428.536 4.603 50 0 IJAARN CCCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000009408835 569530700 /nfs/dbraw/zinc/53/07/00/569530700.db2.gz HUQWEKHJMKGSKG-UHFFFAOYSA-N 0 0 448.548 4.916 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408947 569530796 /nfs/dbraw/zinc/53/07/96/569530796.db2.gz PJXBAKDZVSGSIS-KBMIEXCESA-N 0 0 447.535 4.685 50 0 IJAARN CCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000009408982 569530808 /nfs/dbraw/zinc/53/08/08/569530808.db2.gz DAQKCECIQFDFGU-DEOSSOPVSA-N 0 0 445.475 4.528 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 ZINC000009409247 569530932 /nfs/dbraw/zinc/53/09/32/569530932.db2.gz WSYQOUPVROTGPA-HXUWFJFHSA-N 0 0 426.314 4.890 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3cccs3)cc2)c(OC)c1 ZINC000009416877 569532357 /nfs/dbraw/zinc/53/23/57/569532357.db2.gz LCRVNDQMSYVXDK-HXUWFJFHSA-N 0 0 436.533 4.995 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009419034 569532477 /nfs/dbraw/zinc/53/24/77/569532477.db2.gz HXODDUVBMZZMRN-NRFANRHFSA-N 0 0 448.573 4.712 50 0 IJAARN Cc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)c2c1 ZINC000009430839 569533975 /nfs/dbraw/zinc/53/39/75/569533975.db2.gz RBNOBPPOYWVBOR-UHFFFAOYSA-N 0 0 434.517 4.996 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 ZINC000009432617 569534406 /nfs/dbraw/zinc/53/44/06/569534406.db2.gz NUFHUILKUUQIBM-DHIUTWEWSA-N 0 0 434.561 4.876 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000009432794 569534496 /nfs/dbraw/zinc/53/44/96/569534496.db2.gz MTCUUAUVBHHYNC-RTWAWAEBSA-N 0 0 440.952 4.967 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)c1 ZINC000009435443 569534818 /nfs/dbraw/zinc/53/48/18/569534818.db2.gz HXSBTRUMPIGGNN-UHFFFAOYSA-N 0 0 442.556 4.508 50 0 IJAARN C[C@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009442076 569535497 /nfs/dbraw/zinc/53/54/97/569535497.db2.gz BOAFEMMQHCCLSQ-AWEZNQCLSA-N 0 0 449.557 4.884 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2Cl)NC(=S)N1 ZINC000009443175 569535679 /nfs/dbraw/zinc/53/56/79/569535679.db2.gz TZGLBQLYSOKWHZ-INIZCTEOSA-N 0 0 425.863 4.790 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009453310 569536602 /nfs/dbraw/zinc/53/66/02/569536602.db2.gz NQALKFGUIXXYPG-JOCHJYFZSA-N 0 0 430.435 4.866 50 0 IJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000009461054 569537026 /nfs/dbraw/zinc/53/70/26/569537026.db2.gz MZGXICYBIOGFRC-FGZHOGPDSA-N 0 0 431.858 4.678 50 0 IJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000009461055 569537035 /nfs/dbraw/zinc/53/70/35/569537035.db2.gz MZGXICYBIOGFRC-FCHUYYIVSA-N 0 0 431.858 4.678 50 0 IJAARN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000009461758 569537135 /nfs/dbraw/zinc/53/71/35/569537135.db2.gz MCJZWWCYGFYJBE-UHFFFAOYSA-N 0 0 438.505 4.582 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1ccc2ccccc2c1 ZINC000009462752 569537283 /nfs/dbraw/zinc/53/72/83/569537283.db2.gz KPSXRMNAEOMWKG-INIZCTEOSA-N 0 0 428.579 4.518 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1Cc1ccccc1 ZINC000009465239 569537894 /nfs/dbraw/zinc/53/78/94/569537894.db2.gz DNLVFGLFLLNVRE-UHFFFAOYSA-N 0 0 447.516 4.907 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H]4CCCc5ccccc54)c(=O)c23)s1 ZINC000009465321 569537930 /nfs/dbraw/zinc/53/79/30/569537930.db2.gz XNJPYHZDIZFTJF-GOSISDBHSA-N 0 0 435.574 4.689 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009465688 569538019 /nfs/dbraw/zinc/53/80/19/569538019.db2.gz PPFOIUIOKLJPHK-UHFFFAOYSA-N 0 0 441.516 4.644 50 0 IJAARN C[C@@H]1CCN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c2ccccc2S1 ZINC000009481670 569539480 /nfs/dbraw/zinc/53/94/80/569539480.db2.gz NJRNFAACTMMVFD-GFCCVEGCSA-N 0 0 434.348 4.621 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009487061 569539732 /nfs/dbraw/zinc/53/97/32/569539732.db2.gz MGEKAUFTVFYLFQ-JOCHJYFZSA-N 0 0 430.460 4.800 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009487713 569539775 /nfs/dbraw/zinc/53/97/75/569539775.db2.gz VLTSJWQGBQIPLF-IBGZPJMESA-N 0 0 436.431 4.757 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000009487824 569539836 /nfs/dbraw/zinc/53/98/36/569539836.db2.gz QLICHYSDIVNPBM-UHFFFAOYSA-N 0 0 432.545 4.536 50 0 IJAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 ZINC000009492251 569540554 /nfs/dbraw/zinc/54/05/54/569540554.db2.gz IMVFXAHQDXOLHY-LLVKDONJSA-N 0 0 435.962 4.848 50 0 IJAARN COc1cc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc(OC)c1OC ZINC000009496509 569541212 /nfs/dbraw/zinc/54/12/12/569541212.db2.gz MJMHXKUNMZEXHE-UHFFFAOYSA-N 0 0 435.505 4.879 50 0 IJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC(C)CC1 ZINC000009500505 569541550 /nfs/dbraw/zinc/54/15/50/569541550.db2.gz NOECAKXXPQNFRM-HNNXBMFYSA-N 0 0 434.993 4.585 50 0 IJAARN CC[C@@H](c1nnc(SCc2nc(-c3ccccc3)no2)n1Cc1ccccc1)N(C)C ZINC000009502605 569541746 /nfs/dbraw/zinc/54/17/46/569541746.db2.gz MISUXWAYDKLNIY-IBGZPJMESA-N 0 0 434.569 4.681 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NCc1ccco1 ZINC000009509033 569542441 /nfs/dbraw/zinc/54/24/41/569542441.db2.gz PHRIYAXERSUOJC-MRXNPFEDSA-N 0 0 436.512 4.523 50 0 IJAARN CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009526139 569544487 /nfs/dbraw/zinc/54/44/87/569544487.db2.gz OZCKIDYJPVEGSZ-HHHXNRCGSA-N 0 0 437.543 4.917 50 0 IJAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)Nc3ccccn3)c2c2c1CCC2 ZINC000009543276 569545907 /nfs/dbraw/zinc/54/59/07/569545907.db2.gz YDNXKYMBXDKVLX-UHFFFAOYSA-N 0 0 435.578 4.977 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2OC)c2ccccc2)c1 ZINC000009547179 569546382 /nfs/dbraw/zinc/54/63/82/569546382.db2.gz FJNHLVFOQKQCDP-JOCHJYFZSA-N 0 0 446.532 4.757 50 0 IJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000009548454 569546419 /nfs/dbraw/zinc/54/64/19/569546419.db2.gz CIYLDFSNFLOUNO-XMMPIXPASA-N 0 0 436.895 4.622 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(Cl)c2)c1S(=O)(=O)c1ccccc1 ZINC000009558976 569546921 /nfs/dbraw/zinc/54/69/21/569546921.db2.gz XXSGXTWIWACHSG-UHFFFAOYSA-N 0 0 432.929 4.652 50 0 IJAARN Cc1cccc(-c2nc3scc(CCNC(=O)c4cccc(Br)c4)n3n2)c1 ZINC000009568878 569547424 /nfs/dbraw/zinc/54/74/24/569547424.db2.gz WRLSEGLYKNNDHX-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1 ZINC000009572441 569547741 /nfs/dbraw/zinc/54/77/41/569547741.db2.gz FGFGCMQSAJMMOO-UHFFFAOYSA-N 0 0 425.558 4.686 50 0 IJAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)N2CCC(C)CC2)nn1 ZINC000009578063 569548304 /nfs/dbraw/zinc/54/83/04/569548304.db2.gz XICSIHQHBDMVNJ-UHFFFAOYSA-N 0 0 430.624 4.988 50 0 IJAARN CCC(=O)N(c1nnc(SCc2csc(-c3cccc(OC)c3)n2)s1)C1CC1 ZINC000009579096 569548487 /nfs/dbraw/zinc/54/84/87/569548487.db2.gz NYEDEKSQQCZSAI-UHFFFAOYSA-N 0 0 432.596 4.868 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(OC(F)F)cc2OC(F)F)n1C ZINC000009591983 569550285 /nfs/dbraw/zinc/55/02/85/569550285.db2.gz JAWHUBSSPSHQRW-UHFFFAOYSA-N 0 0 445.394 4.561 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 ZINC000009597040 569550809 /nfs/dbraw/zinc/55/08/09/569550809.db2.gz MDLYIYBQVGDWEI-UHFFFAOYSA-N 0 0 427.856 4.800 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000009598991 569551135 /nfs/dbraw/zinc/55/11/35/569551135.db2.gz CTCYUDLABOFGQX-UHFFFAOYSA-N 0 0 440.952 4.931 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000009599577 569551268 /nfs/dbraw/zinc/55/12/68/569551268.db2.gz ILMVGKOMRFJQAP-UHFFFAOYSA-N 0 0 441.361 4.919 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2)s1)N1CCS[C@@H]1c1ccccc1F ZINC000009602823 569551695 /nfs/dbraw/zinc/55/16/95/569551695.db2.gz MESDQROSSKKVIQ-QGZVFWFLSA-N 0 0 432.571 4.787 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000009609848 569552410 /nfs/dbraw/zinc/55/24/10/569552410.db2.gz GMAUMDPABCILGF-UHFFFAOYSA-N 0 0 442.519 4.679 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2Cc2ccccc2)c1 ZINC000009611043 569552669 /nfs/dbraw/zinc/55/26/69/569552669.db2.gz NIZATMVIQZLCIM-UHFFFAOYSA-N 0 0 445.592 4.603 50 0 IJAARN COc1ccc(Cn2c(CCC(=O)Nc3cccc(SC)c3)nc3cccnc32)cc1 ZINC000009612120 569552809 /nfs/dbraw/zinc/55/28/09/569552809.db2.gz YUYVJZOHHMPXRG-UHFFFAOYSA-N 0 0 432.549 4.781 50 0 IJAARN COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3C)c2=O)CCCC4)c1 ZINC000009615334 569553196 /nfs/dbraw/zinc/55/31/96/569553196.db2.gz ISGGHMQGHYBSOF-UHFFFAOYSA-N 0 0 446.572 4.766 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)c3ccccc3)c2=O)CCCC4)cc1 ZINC000009615443 569553218 /nfs/dbraw/zinc/55/32/18/569553218.db2.gz SNUDMNMVNYBSPX-UHFFFAOYSA-N 0 0 444.556 4.538 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009620089 569553392 /nfs/dbraw/zinc/55/33/92/569553392.db2.gz PYBXUEUUDTVOHN-CQSZACIVSA-N 0 0 441.940 4.654 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000009619510 569553454 /nfs/dbraw/zinc/55/34/54/569553454.db2.gz BUDGELYQMFJEAS-UHFFFAOYSA-N 0 0 445.544 4.579 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(cc4c5c(cccc35)CC4)s2)cc1 ZINC000009629816 569553609 /nfs/dbraw/zinc/55/36/09/569553609.db2.gz OBXWRVUDZAILKM-UHFFFAOYSA-N 0 0 436.558 4.659 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)no1 ZINC000009631823 569553822 /nfs/dbraw/zinc/55/38/22/569553822.db2.gz QVXKCZADRWDCEC-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc1F ZINC000009632994 569554122 /nfs/dbraw/zinc/55/41/22/569554122.db2.gz NEKMCTQDSTUWLZ-UHFFFAOYSA-N 0 0 435.542 4.564 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009635259 569554638 /nfs/dbraw/zinc/55/46/38/569554638.db2.gz KYVWPPZLSIWVQM-HXUWFJFHSA-N 0 0 427.504 4.821 50 0 IJAARN Cc1ccc2nc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc(=O)n2c1 ZINC000009635577 569554695 /nfs/dbraw/zinc/55/46/95/569554695.db2.gz FHWDMJDYRNEYMH-UHFFFAOYSA-N 0 0 425.517 4.543 50 0 IJAARN Cc1cccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4C)nn32)c1 ZINC000009638010 569554920 /nfs/dbraw/zinc/55/49/20/569554920.db2.gz WDDMLKBXBBQOPZ-QHCPKHFHSA-N 0 0 436.519 4.885 50 0 IJAARN Cc1cc(C)cc(OCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1 ZINC000009640886 569555471 /nfs/dbraw/zinc/55/54/71/569555471.db2.gz YTJGEWIWUCODDN-UHFFFAOYSA-N 0 0 426.929 4.526 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009646968 569556384 /nfs/dbraw/zinc/55/63/84/569556384.db2.gz VMBQZONDEGISBU-AWEZNQCLSA-N 0 0 440.525 4.891 50 0 IJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1 ZINC000009663631 569557279 /nfs/dbraw/zinc/55/72/79/569557279.db2.gz JFCAWQSKBIACII-UHFFFAOYSA-N 0 0 438.455 4.743 50 0 IJAARN CC(=O)c1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000009663817 569557308 /nfs/dbraw/zinc/55/73/08/569557308.db2.gz GIIPEWRGUQHTPN-UHFFFAOYSA-N 0 0 440.908 4.878 50 0 IJAARN Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)cc(=O)oc2c1C ZINC000009664599 569557428 /nfs/dbraw/zinc/55/74/28/569557428.db2.gz ZGFQFDRJXOZIGO-JOCHJYFZSA-N 0 0 445.302 4.684 50 0 IJAARN CCOC(=O)CSc1nc2c(sc3cccc(F)c32)c(=O)n1-c1ccc(C)cc1 ZINC000009664689 569557498 /nfs/dbraw/zinc/55/74/98/569557498.db2.gz XANJDECHAUMLDB-UHFFFAOYSA-N 0 0 428.510 4.703 50 0 IJAARN Cc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000009665448 569557573 /nfs/dbraw/zinc/55/75/73/569557573.db2.gz HVYZXFJNDBWWDP-UHFFFAOYSA-N 0 0 448.544 4.943 50 0 IJAARN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009666391 569557722 /nfs/dbraw/zinc/55/77/22/569557722.db2.gz QMRRMLSJTHGUCS-LLVKDONJSA-N 0 0 435.525 4.526 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000009670716 569558405 /nfs/dbraw/zinc/55/84/05/569558405.db2.gz FLOGMPUEACUODY-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc12 ZINC000009672084 569558708 /nfs/dbraw/zinc/55/87/08/569558708.db2.gz WIUKLOJMAZOTIR-UHFFFAOYSA-N 0 0 436.562 4.687 50 0 IJAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1 ZINC000009672490 569558816 /nfs/dbraw/zinc/55/88/16/569558816.db2.gz NCDNPOLOQWFOLK-UHFFFAOYSA-N 0 0 428.587 4.887 50 0 IJAARN COc1cc2c(C(=O)N(C)c3ccc(Cl)cc3)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673391 569558883 /nfs/dbraw/zinc/55/88/83/569558883.db2.gz IPFZKAQJFVDVTF-UHFFFAOYSA-N 0 0 428.916 4.605 50 0 IJAARN Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681972 569560301 /nfs/dbraw/zinc/56/03/01/569560301.db2.gz IUQZQTJOSFUHPE-UHFFFAOYSA-N 0 0 426.451 4.577 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(C(C)=O)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685793 569560707 /nfs/dbraw/zinc/56/07/07/569560707.db2.gz WLJAHFSQDQJDLU-UHFFFAOYSA-N 0 0 438.549 4.889 50 0 IJAARN O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-n1cccc1)Nc1ccccc1F ZINC000009707873 569561712 /nfs/dbraw/zinc/56/17/12/569561712.db2.gz PUXLLHNCUBTFLG-UHFFFAOYSA-N 0 0 441.919 4.505 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c(C)c1 ZINC000009708245 569561840 /nfs/dbraw/zinc/56/18/40/569561840.db2.gz GCXSWYNKVYWWCZ-OAQYLSRUSA-N 0 0 426.607 4.756 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1NC(=O)c1ccco1 ZINC000009712142 569562117 /nfs/dbraw/zinc/56/21/17/569562117.db2.gz ZWLFQLOTBNXKIW-OAQYLSRUSA-N 0 0 446.503 4.979 50 0 IJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2cccs2)n1 ZINC000009712577 569562309 /nfs/dbraw/zinc/56/23/09/569562309.db2.gz MIFXGJDOZBSFRU-UHFFFAOYSA-N 0 0 431.542 4.867 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000009714738 569562899 /nfs/dbraw/zinc/56/28/99/569562899.db2.gz KNBWHHQEWBLKFS-INIZCTEOSA-N 0 0 441.984 4.591 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)[nH]c(=O)c2c1C ZINC000009722804 569563495 /nfs/dbraw/zinc/56/34/95/569563495.db2.gz VDSRROHQANOMSY-JTQLQIEISA-N 0 0 448.570 4.611 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009727048 569563924 /nfs/dbraw/zinc/56/39/24/569563924.db2.gz NIDNIKGCAYAXQH-GOSISDBHSA-N 0 0 444.380 4.621 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1C ZINC000009729298 569564219 /nfs/dbraw/zinc/56/42/19/569564219.db2.gz PBORRPNNCQOQCB-KRWDZBQOSA-N 0 0 443.592 4.832 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1 ZINC000009741379 569565273 /nfs/dbraw/zinc/56/52/73/569565273.db2.gz IKGYGPIVTDXKSB-IBGZPJMESA-N 0 0 435.954 4.843 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000009765363 569566802 /nfs/dbraw/zinc/56/68/02/569566802.db2.gz XRQOUPKXGKGATH-UHFFFAOYSA-N 0 0 439.519 4.824 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)o1 ZINC000009779631 569567454 /nfs/dbraw/zinc/56/74/54/569567454.db2.gz BLZYYISCYPOUBU-UHFFFAOYSA-N 0 0 440.912 4.963 50 0 IJAARN Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009781314 569567555 /nfs/dbraw/zinc/56/75/55/569567555.db2.gz IECOCTJDTAETRC-UHFFFAOYSA-N 0 0 437.594 4.882 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)c3c(C)nn(Cc4ccccc4)c3C)cc2)cs1 ZINC000009782948 569567726 /nfs/dbraw/zinc/56/77/26/569567726.db2.gz DIBNVLYAMUHHNO-UHFFFAOYSA-N 0 0 430.577 4.953 50 0 IJAARN Cc1ccc(-c2noc(CSc3n[nH]c(-c4ccccc4Br)n3)n2)cc1 ZINC000009783067 569567785 /nfs/dbraw/zinc/56/77/85/569567785.db2.gz IWZPEQPWFORCKT-UHFFFAOYSA-N 0 0 428.315 4.885 50 0 IJAARN COc1ccc(NC(=O)COCC(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1 ZINC000009805776 569568847 /nfs/dbraw/zinc/56/88/47/569568847.db2.gz UOCJCPNKEJVTDN-UHFFFAOYSA-N 0 0 440.540 4.638 50 0 IJAARN CC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000009812358 569569121 /nfs/dbraw/zinc/56/91/21/569569121.db2.gz SQRZIMBUSAANRX-UHFFFAOYSA-N 0 0 426.567 4.911 50 0 IJAARN CCc1cccc(C)c1Nc1sc(C(=O)c2ccccc2)c(N)c1S(=O)(=O)CC ZINC000009824728 569569613 /nfs/dbraw/zinc/56/96/13/569569613.db2.gz AKNIDLHZSZWBQR-UHFFFAOYSA-N 0 0 428.579 4.969 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccco1)Nc1ccccc1F ZINC000009834613 569570601 /nfs/dbraw/zinc/57/06/01/569570601.db2.gz MFAGRIBWXSWNOU-UHFFFAOYSA-N 0 0 449.463 4.654 50 0 IJAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(NC[C@H]2CCCO2)s1 ZINC000009836700 569570728 /nfs/dbraw/zinc/57/07/28/569570728.db2.gz CDCAULLQFCICIS-OAHLLOKOSA-N 0 0 436.562 4.789 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)c2ccccc2[nH]c3=O)cc1OCC ZINC000009838926 569570834 /nfs/dbraw/zinc/57/08/34/569570834.db2.gz LXLQPWPPYDHJQK-UHFFFAOYSA-N 0 0 436.533 4.513 50 0 IJAARN Cc1ccc(C(=O)c2cnc3cc4c(cc3c2S(=O)(=O)c2ccccc2)OCO4)cc1C ZINC000009847422 569571113 /nfs/dbraw/zinc/57/11/13/569571113.db2.gz SQKYRFOFQUSLMM-UHFFFAOYSA-N 0 0 445.496 4.644 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000009850210 569571355 /nfs/dbraw/zinc/57/13/55/569571355.db2.gz MAADVZOJHPZYCB-UHFFFAOYSA-N 0 0 429.369 4.830 50 0 IJAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000009855895 569571559 /nfs/dbraw/zinc/57/15/59/569571559.db2.gz LJQJYGNBDILCCW-UHFFFAOYSA-N 0 0 442.490 4.881 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1 ZINC000009858335 569571691 /nfs/dbraw/zinc/57/16/91/569571691.db2.gz VDAXDYAUIMNMQE-UHFFFAOYSA-N 0 0 431.565 4.544 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 ZINC000009863754 569572092 /nfs/dbraw/zinc/57/20/92/569572092.db2.gz GLJWCSRPSFVDKU-MRXNPFEDSA-N 0 0 430.533 4.785 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000009867146 569572197 /nfs/dbraw/zinc/57/21/97/569572197.db2.gz JIWWSWQDUXBRNL-UHFFFAOYSA-N 0 0 443.532 4.559 50 0 IJAARN Cn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1-c1ccco1 ZINC000009871922 569572424 /nfs/dbraw/zinc/57/24/24/569572424.db2.gz LECGTVAWWWJBGN-UHFFFAOYSA-N 0 0 428.533 4.668 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009872464 569572425 /nfs/dbraw/zinc/57/24/25/569572425.db2.gz LPUGZUVDNDHXDL-UHFFFAOYSA-N 0 0 447.560 4.631 50 0 IJAARN COc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C2CCCCC2)cc1 ZINC000009873753 569572572 /nfs/dbraw/zinc/57/25/72/569572572.db2.gz SHECDQZJEISORI-UHFFFAOYSA-N 0 0 447.568 4.727 50 0 IJAARN Cn1cnnc1Sc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000009913389 569573341 /nfs/dbraw/zinc/57/33/41/569573341.db2.gz QXGRPCUOQIJTFP-UHFFFAOYSA-N 0 0 434.521 4.609 50 0 IJAARN Cc1nc2ccc3nc(NC(=O)CCCS(=O)(=O)c4ccc(F)cc4)sc3c2s1 ZINC000009914691 569573432 /nfs/dbraw/zinc/57/34/32/569573432.db2.gz LIPQJYSWXIXAPF-UHFFFAOYSA-N 0 0 449.554 4.546 50 0 IJAARN O=S(=O)(c1nnn2c1nc(NC1CCCCCCC1)c1ccccc12)c1ccccc1 ZINC000009938982 569573885 /nfs/dbraw/zinc/57/38/85/569573885.db2.gz RVLBEZVKCPXTAZ-UHFFFAOYSA-N 0 0 435.553 4.635 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1Cl ZINC000009943326 569574095 /nfs/dbraw/zinc/57/40/95/569574095.db2.gz RYNUIPMNIDKLII-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)C(C)C)n2)cc1 ZINC000009948627 569574163 /nfs/dbraw/zinc/57/41/63/569574163.db2.gz QFNNHOHTVFFIPL-UHFFFAOYSA-N 0 0 437.544 4.596 50 0 IJAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1cc(Cl)c2c(c1)OCCO2 ZINC000009950709 569574406 /nfs/dbraw/zinc/57/44/06/569574406.db2.gz XZDLRMQTFHEZLF-UHFFFAOYSA-N 0 0 428.872 4.737 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009951180 569574462 /nfs/dbraw/zinc/57/44/62/569574462.db2.gz ODVIFSPKPJDFEH-QGZVFWFLSA-N 0 0 430.555 4.732 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc32)cc1OC ZINC000009952760 569574661 /nfs/dbraw/zinc/57/46/61/569574661.db2.gz NNWJRRXZXBCQFT-UHFFFAOYSA-N 0 0 425.488 4.759 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccnn1C1CCCC1 ZINC000009953061 569574717 /nfs/dbraw/zinc/57/47/17/569574717.db2.gz GGBKSQUFNVXLOJ-UHFFFAOYSA-N 0 0 447.568 4.804 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000009958679 569574887 /nfs/dbraw/zinc/57/48/87/569574887.db2.gz IYNQRQLIQHRBQE-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)c1 ZINC000009958784 569574947 /nfs/dbraw/zinc/57/49/47/569574947.db2.gz DKKASKBXBORYAO-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccccc1C(F)(F)F ZINC000071327853 569575440 /nfs/dbraw/zinc/57/54/40/569575440.db2.gz DMMLWPMTUMHWOW-UHFFFAOYSA-N 0 0 443.469 4.882 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)c1 ZINC000071328165 569575536 /nfs/dbraw/zinc/57/55/36/569575536.db2.gz VBRCLGNYZTUJTN-UHFFFAOYSA-N 0 0 438.484 4.512 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1C ZINC000009982154 569576574 /nfs/dbraw/zinc/57/65/74/569576574.db2.gz UOLBZUUGILISTR-UHFFFAOYSA-N 0 0 435.505 4.583 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C1CCCCC1 ZINC000010014807 569577094 /nfs/dbraw/zinc/57/70/94/569577094.db2.gz OJVVKKCKYHDHKE-UHFFFAOYSA-N 0 0 427.343 4.724 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)c1 ZINC000010187537 569578587 /nfs/dbraw/zinc/57/85/87/569578587.db2.gz HFOLIOIPWSPJRJ-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000010188713 569578936 /nfs/dbraw/zinc/57/89/36/569578936.db2.gz RDQHQARJRMEFGY-UHFFFAOYSA-N 0 0 427.489 4.806 50 0 IJAARN COc1cc(OC)c(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000010225395 569579291 /nfs/dbraw/zinc/57/92/91/569579291.db2.gz SLFFFVRJNLUAIF-UHFFFAOYSA-N 0 0 427.932 4.657 50 0 IJAARN CCOc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1OC ZINC000010237055 569579702 /nfs/dbraw/zinc/57/97/02/569579702.db2.gz RVMPXKXXJRSGCG-UHFFFAOYSA-N 0 0 425.485 4.790 50 0 IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000010253114 569579906 /nfs/dbraw/zinc/57/99/06/569579906.db2.gz PSNUFUCIMIMXOD-UHFFFAOYSA-N 0 0 436.558 4.938 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000010291419 569580557 /nfs/dbraw/zinc/58/05/57/569580557.db2.gz FWPVDGSRDYAQNC-IBGZPJMESA-N 0 0 441.509 4.637 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000071759937 569580578 /nfs/dbraw/zinc/58/05/78/569580578.db2.gz RDMJBQXJTODBAM-UHFFFAOYSA-N 0 0 441.315 4.571 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccs1 ZINC000010303172 569580620 /nfs/dbraw/zinc/58/06/20/569580620.db2.gz WFKWMDGSEATKRG-UHFFFAOYSA-N 0 0 427.580 4.881 50 0 IJAARN O=c1c2sccc2nc(SCc2ccccn2)n1-c1ccc(Br)cc1 ZINC000071768726 569580773 /nfs/dbraw/zinc/58/07/73/569580773.db2.gz HHOBUCUZOMSPMY-UHFFFAOYSA-N 0 0 430.352 4.897 50 0 IJAARN Cc1c(C(=O)NCc2ccc(C(C)C)cc2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000071768677 569580783 /nfs/dbraw/zinc/58/07/83/569580783.db2.gz ZRENYVVCHUCAOA-UHFFFAOYSA-N 0 0 444.539 4.803 50 0 IJAARN Cc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)c1 ZINC000010337051 569581171 /nfs/dbraw/zinc/58/11/71/569581171.db2.gz RXRUOCLMAXQFQH-FCHUYYIVSA-N 0 0 428.883 4.590 50 0 IJAARN O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000010381589 569581706 /nfs/dbraw/zinc/58/17/06/569581706.db2.gz JPXFQLHDWOJUIG-SNAWJCMRSA-N 0 0 430.505 4.969 50 0 IJAARN COc1ccc(-c2nc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)sc2C)cc1 ZINC000010440719 569582215 /nfs/dbraw/zinc/58/22/15/569582215.db2.gz ZNHBMLFEJXNFOH-UHFFFAOYSA-N 0 0 430.913 4.733 50 0 IJAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000071847923 569582431 /nfs/dbraw/zinc/58/24/31/569582431.db2.gz YVHSUZQPLBKWCU-DEOSSOPVSA-N 0 0 448.567 4.569 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3c(CC)cccc3CC)cc2)CC1=O ZINC000010462253 569582472 /nfs/dbraw/zinc/58/24/72/569582472.db2.gz FPHQQIQBUNZRSU-OAQYLSRUSA-N 0 0 435.568 4.651 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000010510458 569582633 /nfs/dbraw/zinc/58/26/33/569582633.db2.gz XDSDOCAHYBHBMT-UHFFFAOYSA-N 0 0 444.457 4.879 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2C)cc1 ZINC000003657633 569584653 /nfs/dbraw/zinc/58/46/53/569584653.db2.gz FEBCEFRBBZOSBA-FGZHOGPDSA-N 0 0 443.528 4.854 50 0 IJAARN Cn1c2ccc(Cl)cc2nc1NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000063981988 569585092 /nfs/dbraw/zinc/58/50/92/569585092.db2.gz NEHUYZVDUQYILX-UHFFFAOYSA-N 0 0 433.986 5.113 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3cccc4nccnc43)C2)c1 ZINC000077160617 569585788 /nfs/dbraw/zinc/58/57/88/569585788.db2.gz UWDQDJLJFFHVPX-QHCPKHFHSA-N 0 0 426.451 4.769 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 ZINC000077184235 569585858 /nfs/dbraw/zinc/58/58/58/569585858.db2.gz QJDPTEIGMMHWOI-QHCPKHFHSA-N 0 0 440.337 4.762 50 0 IJAARN O=C(c1ccc(F)cc1Cl)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077191057 569585921 /nfs/dbraw/zinc/58/59/21/569585921.db2.gz CBSAODZKLBZFTE-UHFFFAOYSA-N 0 0 425.769 4.788 50 0 IJAARN COc1ccccc1Cc1noc(C2CN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000077191380 569585939 /nfs/dbraw/zinc/58/59/39/569585939.db2.gz OUDQBFQOZGCKDB-UHFFFAOYSA-N 0 0 433.295 4.607 50 0 IJAARN COc1ccccc1-n1nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccccn1 ZINC000077199913 569586253 /nfs/dbraw/zinc/58/62/53/569586253.db2.gz NNDWEYLUSOELJK-UHFFFAOYSA-N 0 0 439.397 4.609 50 0 IJAARN COC(=O)N1CCc2ccc(Br)cc2[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000077200086 569586321 /nfs/dbraw/zinc/58/63/21/569586321.db2.gz BVNHFTWSJUVPKS-LJQANCHMSA-N 0 0 431.330 4.679 50 0 IJAARN O=C(Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1)NCc1cccs1 ZINC000077200759 569586481 /nfs/dbraw/zinc/58/64/81/569586481.db2.gz VLPOMMXPOZMJDY-UHFFFAOYSA-N 0 0 434.439 4.758 50 0 IJAARN Cc1cc(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc(Cl)n1 ZINC000023322805 569587193 /nfs/dbraw/zinc/58/71/93/569587193.db2.gz LQQVLWLTOTVZMB-UHFFFAOYSA-N 0 0 449.982 4.607 50 0 IJAARN CCN(C)C(=O)c1cccc(Nc2c(OC(C)C)cnn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036070482 569587828 /nfs/dbraw/zinc/58/78/28/569587828.db2.gz JELZUTKTFDHIOM-UHFFFAOYSA-N 0 0 440.931 4.509 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000623003 193859906 /nfs/dbraw/zinc/85/99/06/193859906.db2.gz ZUMYTTOLENTFNQ-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)Cc1ccccc1 ZINC000000647588 193870813 /nfs/dbraw/zinc/87/08/13/193870813.db2.gz MZRBEPPEHBIJSB-UHFFFAOYSA-N 0 0 436.533 4.975 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nnc2-c2ccncc2)cc1 ZINC000000663965 193877390 /nfs/dbraw/zinc/87/73/90/193877390.db2.gz NWWCVBBLNQEPGT-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N(c1ccccc1)C1CCCCC1 ZINC000009846656 193905103 /nfs/dbraw/zinc/90/51/03/193905103.db2.gz ZWVRJHMOXTUZTL-SFHVURJKSA-N 0 0 432.615 4.587 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCCc4ccccc43)nc2n1 ZINC000009125529 132226771 /nfs/dbraw/zinc/22/67/71/132226771.db2.gz ZJTMVQGWHKOHOV-UHFFFAOYSA-N 0 0 429.549 4.626 50 0 IJAARN CCOc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OCC ZINC000000623937 132227771 /nfs/dbraw/zinc/22/77/71/132227771.db2.gz RGEGCNAFEBALIM-UHFFFAOYSA-N 0 0 435.362 4.695 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000000807634 132230723 /nfs/dbraw/zinc/23/07/23/132230723.db2.gz KAYOSHADWFZYTD-UHFFFAOYSA-N 0 0 444.318 4.801 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000009517665 132232562 /nfs/dbraw/zinc/23/25/62/132232562.db2.gz VJOQYCKRWUFBFE-UHFFFAOYSA-N 0 0 435.940 4.540 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 ZINC000001186897 132239040 /nfs/dbraw/zinc/23/90/40/132239040.db2.gz DSZJNUUEVUYNCA-UHFFFAOYSA-N 0 0 435.520 4.810 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccc(Cl)c1 ZINC000009738794 132240280 /nfs/dbraw/zinc/24/02/80/132240280.db2.gz DEMQGRLRTBZFAD-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN COCCn1cc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 ZINC000010187725 132243332 /nfs/dbraw/zinc/24/33/32/132243332.db2.gz LYNLVGWFJBZJBA-UHFFFAOYSA-N 0 0 446.473 4.661 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000010220788 132243897 /nfs/dbraw/zinc/24/38/97/132243897.db2.gz ITTOWZDCXZATOM-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccccc3)C(=S)N[C@@H]2c2ccccc2Cl)no1 ZINC000010352979 132246215 /nfs/dbraw/zinc/24/62/15/132246215.db2.gz AGYVAKKJIHQETM-HXUWFJFHSA-N 0 0 438.940 4.985 50 0 IJAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O ZINC000002294918 132251452 /nfs/dbraw/zinc/25/14/52/132251452.db2.gz SBTOVYDXPWSFFK-NDEPHWFRSA-N 0 0 438.527 4.804 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000002397505 132253699 /nfs/dbraw/zinc/25/36/99/132253699.db2.gz OHCBQWSSETXFCD-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1F ZINC000002590160 132255090 /nfs/dbraw/zinc/25/50/90/132255090.db2.gz GENURJZTJFHCHC-UHFFFAOYSA-N 0 0 425.451 4.962 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@H](C)CCc3ccccc3)C2=O)c1 ZINC000003061531 132261509 /nfs/dbraw/zinc/26/15/09/132261509.db2.gz CQXQPUSUMKKFQF-MSPRMREJSA-N 0 0 440.543 4.899 50 0 IJAARN CCc1cc2c(c(CC)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003784334 132268123 /nfs/dbraw/zinc/26/81/23/132268123.db2.gz BFVNEYDCFJNLGN-UHFFFAOYSA-N 0 0 438.535 4.533 50 0 investigational IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000004109552 132269671 /nfs/dbraw/zinc/26/96/71/132269671.db2.gz FFNNYSVJSMCQKE-UHFFFAOYSA-N 0 0 444.318 4.801 50 0 IJAARN CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCC[C@H](C)C3)cc21 ZINC000008596231 132285123 /nfs/dbraw/zinc/28/51/23/132285123.db2.gz ILEYLTQBJIYZNM-KRWDZBQOSA-N 0 0 442.556 4.538 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000008599744 132285845 /nfs/dbraw/zinc/28/58/45/132285845.db2.gz PJJWMWBZILVBSS-UHFFFAOYSA-N 0 0 430.430 4.512 50 0 IJAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1)c1ccccc1 ZINC000008599897 132286127 /nfs/dbraw/zinc/28/61/27/132286127.db2.gz HWXLAYNHZQTUMS-HNNXBMFYSA-N 0 0 428.458 4.742 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 ZINC000008718485 132291517 /nfs/dbraw/zinc/29/15/17/132291517.db2.gz QNUKEQXFUIPILO-JPYJTQIMSA-N 0 0 434.517 4.908 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(Cl)c1N1CCCCC1 ZINC000008715387 132291587 /nfs/dbraw/zinc/29/15/87/132291587.db2.gz ZBEHQKAMBCAWMP-UHFFFAOYSA-N 0 0 429.933 4.506 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1Cc1ccccc1 ZINC000008966226 132298918 /nfs/dbraw/zinc/29/89/18/132298918.db2.gz NAOFSPXWXUZGMW-UHFFFAOYSA-N 0 0 444.560 4.966 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3)CC2)cc1 ZINC000009096386 132302772 /nfs/dbraw/zinc/30/27/72/132302772.db2.gz KLCJDRLJBGARHR-UHFFFAOYSA-N 0 0 431.511 4.603 50 0 IJAARN Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)c1 ZINC000009115362 132303615 /nfs/dbraw/zinc/30/36/15/132303615.db2.gz FPLWBRWFBMESIR-SSEXGKCCSA-N 0 0 442.968 4.512 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCC[C@@H](C)C3)cc21 ZINC000009119053 132304621 /nfs/dbraw/zinc/30/46/21/132304621.db2.gz GPDRLDCGOBNUPA-QGZVFWFLSA-N 0 0 442.556 4.538 50 0 IJAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(N2CCOCC2)n1)CCC4 ZINC000009209508 132308780 /nfs/dbraw/zinc/30/87/80/132308780.db2.gz WPJOAYSIDHNLHH-UHFFFAOYSA-N 0 0 434.590 4.954 50 0 IJAARN COc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000009250375 132310806 /nfs/dbraw/zinc/31/08/06/132310806.db2.gz JNNVLGRCXNAKSU-UHFFFAOYSA-N 0 0 436.533 4.633 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCCCCC1 ZINC000009250384 132310820 /nfs/dbraw/zinc/31/08/20/132310820.db2.gz OOBSSSLSXJYGLJ-UHFFFAOYSA-N 0 0 426.582 4.825 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)Nc3ccccc3Cl)CC1)C[C@H](C)O2 ZINC000009405912 132315309 /nfs/dbraw/zinc/31/53/09/132315309.db2.gz CPWSMWASQYUOPE-INIZCTEOSA-N 0 0 427.932 4.706 50 0 IJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000009406012 132315420 /nfs/dbraw/zinc/31/54/20/132315420.db2.gz WOQIUGGJFKYJDH-LJQANCHMSA-N 0 0 427.932 4.788 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3n2CCCCC3)cc1 ZINC000009406737 132315672 /nfs/dbraw/zinc/31/56/72/132315672.db2.gz ZPXQIPSUPJBGJK-UHFFFAOYSA-N 0 0 432.543 4.686 50 0 IJAARN Cc1cc(C)nc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)n1 ZINC000009410484 132315956 /nfs/dbraw/zinc/31/59/56/132315956.db2.gz STLIHIAUHSJICL-UHFFFAOYSA-N 0 0 436.972 4.745 50 0 IJAARN CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000009422614 132316556 /nfs/dbraw/zinc/31/65/56/132316556.db2.gz OQUQNMXRFCEGKD-RUZDIDTESA-N 0 0 429.520 4.693 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c1 ZINC000009529535 132320630 /nfs/dbraw/zinc/32/06/30/132320630.db2.gz DYBMESOCDFRKRW-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN O=C(CCc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 ZINC000009569274 132321832 /nfs/dbraw/zinc/32/18/32/132321832.db2.gz VGBPPSUEPVKBEZ-UHFFFAOYSA-N 0 0 438.524 4.539 50 0 IJAARN O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1N1CCOCC1 ZINC000009635548 132324098 /nfs/dbraw/zinc/32/40/98/132324098.db2.gz NKSWOXYGKJCAAM-UHFFFAOYSA-N 0 0 430.879 4.926 50 0 IJAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccnn4C4CCCCC4)CC3)c2c1C ZINC000009670764 132325029 /nfs/dbraw/zinc/32/50/29/132325029.db2.gz QPLNMUCYOCJUQX-UHFFFAOYSA-N 0 0 438.601 4.865 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000009693196 132326325 /nfs/dbraw/zinc/32/63/25/132326325.db2.gz MYXRJXIDZZIQOF-UHFFFAOYSA-N 0 0 438.503 4.612 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000009716801 132327185 /nfs/dbraw/zinc/32/71/85/132327185.db2.gz FKGHZTGZJCGDMH-UHFFFAOYSA-N 0 0 444.560 4.749 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000009730171 132327981 /nfs/dbraw/zinc/32/79/81/132327981.db2.gz UPJVIHGQECANOL-ZCYQVOJMSA-N 0 0 432.495 4.635 50 0 IJAARN Cc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl ZINC000009762060 132328454 /nfs/dbraw/zinc/32/84/54/132328454.db2.gz XWBLPFJZIPZYRS-UHFFFAOYSA-N 0 0 449.317 4.950 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)OCc3csc(C)n3)[C@H]2c2ccccc2)cc1 ZINC000009781557 132328954 /nfs/dbraw/zinc/32/89/54/132328954.db2.gz NOAYQMHMCKNOCT-JTHBVZDNSA-N 0 0 436.533 4.688 50 0 IJAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCc1ccc(Br)cc1F ZINC000009882808 132331000 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0 IJAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc21 ZINC000013610531 132351794 /nfs/dbraw/zinc/35/17/94/132351794.db2.gz LNRVDPKMHZQLGM-UHFFFAOYSA-N 0 0 446.878 4.713 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1C ZINC000012751102 518230093 /nfs/dbraw/zinc/23/00/93/518230093.db2.gz BEUFFJYRMQTRDZ-MRXNPFEDSA-N 0 0 443.565 4.970 50 0 IJAARN CC(=O)c1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)cs1 ZINC000012590107 518275254 /nfs/dbraw/zinc/27/52/54/518275254.db2.gz OJPBYGNSUKPBSK-GOSISDBHSA-N 0 0 425.579 4.925 50 0 IJAARN CC(C)(C)C1CCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000022751980 518605295 /nfs/dbraw/zinc/60/52/95/518605295.db2.gz MPSATJYHQQELKR-UHFFFAOYSA-N 0 0 440.459 4.832 50 0 IJAARN CC(C)(C)c1ccc(Cn2c3ccccc3n(C[C@H](O)COc3ccccc3)c2=N)cc1 ZINC000020827510 519034527 /nfs/dbraw/zinc/03/45/27/519034527.db2.gz QJOIKTKBPKNQBC-QFIPXVFZSA-N 0 0 429.564 4.708 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cs1)c1c(C)cccc1C 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/nfs/dbraw/zinc/33/26/65/521332665.db2.gz SKWOOCRYEWRWIH-MUUNZHRXSA-N 0 0 442.559 4.667 50 0 IJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000022276681 521333709 /nfs/dbraw/zinc/33/37/09/521333709.db2.gz KLDAYMJSFOCRPU-UHFFFAOYSA-N 0 0 426.900 4.748 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000012904961 521346105 /nfs/dbraw/zinc/34/61/05/521346105.db2.gz BROCZTNJXVFSPI-HIFRSBDPSA-N 0 0 448.976 4.808 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)n1 ZINC000012904975 521354942 /nfs/dbraw/zinc/35/49/42/521354942.db2.gz BROCZTNJXVFSPI-DZGCQCFKSA-N 0 0 448.976 4.808 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CC2)C(=O)c2ccccc2Cl)c1C ZINC000036003661 521363530 /nfs/dbraw/zinc/36/35/30/521363530.db2.gz NGLFTOYEPVCKQN-OAHLLOKOSA-N 0 0 430.932 4.585 50 0 IJAARN CCCc1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000012411436 521364939 /nfs/dbraw/zinc/36/49/39/521364939.db2.gz QLQHHOZTHPKKTL-UHFFFAOYSA-N 0 0 430.430 4.896 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CC(C)C)c1C ZINC000036003598 521365250 /nfs/dbraw/zinc/36/52/50/521365250.db2.gz CXKWXDNOWUCRNE-KRWDZBQOSA-N 0 0 430.520 4.593 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)s2)sc2c1CC[C@@H](C)C2 ZINC000012274390 521410630 /nfs/dbraw/zinc/41/06/30/521410630.db2.gz XPGBFEFSJQSKEP-GFCCVEGCSA-N 0 0 427.547 4.877 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)c(CC(C)C)[nH]1)CCCC2 ZINC000012413874 521417703 /nfs/dbraw/zinc/41/77/03/521417703.db2.gz JRQXFYLTYCHTEY-UHFFFAOYSA-N 0 0 435.615 4.764 50 0 IJAARN CCN(Cc1nc(-c2cccc(Br)c2)no1)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000012782767 521445102 /nfs/dbraw/zinc/44/51/02/521445102.db2.gz XOVVYOWQTVOKKU-OAHLLOKOSA-N 0 0 443.345 4.657 50 0 IJAARN CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000020903082 521481102 /nfs/dbraw/zinc/48/11/02/521481102.db2.gz DLACVRZDICVYBD-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000012311918 521483966 /nfs/dbraw/zinc/48/39/66/521483966.db2.gz CDJAASMJWHHTDF-XQNSMLJCSA-N 0 0 426.472 4.812 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000015723692 521512148 /nfs/dbraw/zinc/51/21/48/521512148.db2.gz YBFWOBJPYBFTTQ-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020516770 521512278 /nfs/dbraw/zinc/51/22/78/521512278.db2.gz IPKMIKZBTMBEIK-UHFFFAOYSA-N 0 0 428.492 4.775 50 0 IJAARN CCCN(C)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000036038802 521515165 /nfs/dbraw/zinc/51/51/65/521515165.db2.gz NVJWTABVKOIRGT-UHFFFAOYSA-N 0 0 430.496 4.613 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(OC)cc3)cc12 ZINC000017315982 521530606 /nfs/dbraw/zinc/53/06/06/521530606.db2.gz ATLMNLNFELQNMO-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 ZINC000033064157 521531736 /nfs/dbraw/zinc/53/17/36/521531736.db2.gz PCNVAEOQCITWFU-UHFFFAOYSA-N 0 0 444.940 4.539 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000021156728 521543202 /nfs/dbraw/zinc/54/32/02/521543202.db2.gz LSSCSVUZDWXAHN-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022807806 521546589 /nfs/dbraw/zinc/54/65/89/521546589.db2.gz LLQHDRVKXVBOFY-XMMPIXPASA-N 0 0 435.593 4.644 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445849 521573105 /nfs/dbraw/zinc/57/31/05/521573105.db2.gz OMANPMKCCGHYRA-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000021150933 521608193 /nfs/dbraw/zinc/60/81/93/521608193.db2.gz ICZUXKZYICQSCH-LJQANCHMSA-N 0 0 431.485 4.583 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000012390554 521620761 /nfs/dbraw/zinc/62/07/61/521620761.db2.gz LCCSKWIFUZKXAM-UHFFFAOYSA-N 0 0 444.528 4.748 50 0 IJAARN CCCn1c(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000012786038 521635518 /nfs/dbraw/zinc/63/55/18/521635518.db2.gz MBFRKUWZEDYGRE-JKSUJKDBSA-N 0 0 444.000 4.860 50 0 IJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000012520109 521636193 /nfs/dbraw/zinc/63/61/93/521636193.db2.gz SRFHVMUCVFPJLC-UHFFFAOYSA-N 0 0 448.470 4.543 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl ZINC000021597488 521639811 /nfs/dbraw/zinc/63/98/11/521639811.db2.gz MINNFRKIRATCMZ-GOSISDBHSA-N 0 0 444.988 4.590 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cc(F)ccc3C)c2s1 ZINC000035533993 521651096 /nfs/dbraw/zinc/65/10/96/521651096.db2.gz AENIEBGCRAAOGG-UHFFFAOYSA-N 0 0 433.578 4.891 50 0 IJAARN CCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000012536204 521686193 /nfs/dbraw/zinc/68/61/93/521686193.db2.gz RXRQIYSEWGHCAD-UHFFFAOYSA-N 0 0 438.549 4.548 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(OC)cc1 ZINC000020578183 521695127 /nfs/dbraw/zinc/69/51/27/521695127.db2.gz NAFWQBBXPNQYCQ-UHFFFAOYSA-N 0 0 440.544 4.813 50 0 IJAARN CCNC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000035980311 521739371 /nfs/dbraw/zinc/73/93/71/521739371.db2.gz BPTUTPFCXRGINW-UHFFFAOYSA-N 0 0 442.947 4.804 50 0 IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000035980892 521739543 /nfs/dbraw/zinc/73/95/43/521739543.db2.gz YENVSEUJPPLQPM-QFIPXVFZSA-N 0 0 448.567 4.898 50 0 IJAARN CCc1cccc(NC(=O)Cn2c3cc(OC)ccc3cc(CNc3ccccc3)c2=O)c1 ZINC000020940254 521757300 /nfs/dbraw/zinc/75/73/00/521757300.db2.gz YEZXFCRWGRUKDH-UHFFFAOYSA-N 0 0 441.531 4.823 50 0 IJAARN CCc1cccc(NC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)c1 ZINC000020563810 521764515 /nfs/dbraw/zinc/76/45/15/521764515.db2.gz LDLZNBWFTWFVRR-JOCHJYFZSA-N 0 0 443.551 4.660 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)N3CCC4(CC3)OCCO4)c3ccc(C)cc3)c[nH]c21 ZINC000035888873 521792107 /nfs/dbraw/zinc/79/21/07/521792107.db2.gz APWZCONGIMGBCW-QHCPKHFHSA-N 0 0 432.564 4.926 50 0 IJAARN COc1c(C)cccc1C(=O)Nc1cc(I)ccc1C(F)(F)F ZINC000012843134 521805162 /nfs/dbraw/zinc/80/51/62/521805162.db2.gz BNGBMFKJVCEXDI-UHFFFAOYSA-N 0 0 435.183 4.879 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000035723993 521852711 /nfs/dbraw/zinc/85/27/11/521852711.db2.gz LIYQJNGJDIBMRE-KBXCAEBGSA-N 0 0 442.972 4.950 50 0 IJAARN CCc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3ccccc3Cl)c(C)c2c1=O ZINC000020417645 521885228 /nfs/dbraw/zinc/88/52/28/521885228.db2.gz QHYNGPXSXPZYJI-UHFFFAOYSA-N 0 0 448.954 4.718 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033113514 521891027 /nfs/dbraw/zinc/89/10/27/521891027.db2.gz WZPWVAUDTUABFA-KRWDZBQOSA-N 0 0 435.553 4.764 50 0 IJAARN COc1cc(-c2cc(NC(=O)c3cc4ccc5cccnc5c4[nH]3)on2)cc(OC)c1OC ZINC000020575525 521896239 /nfs/dbraw/zinc/89/62/39/521896239.db2.gz UFLKTJRGIHZMIN-UHFFFAOYSA-N 0 0 444.447 4.649 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc(OC)c1OC ZINC000035586215 521934060 /nfs/dbraw/zinc/93/40/60/521934060.db2.gz HJEHNIWXGWKMJP-VMPITWQZSA-N 0 0 441.534 4.892 50 0 IJAARN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000012417772 521934328 /nfs/dbraw/zinc/93/43/28/521934328.db2.gz BVIZHEHUSFTJLL-LZYBPNLTSA-N 0 0 437.304 4.886 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(OC)c2)cn1 ZINC000012798988 521975305 /nfs/dbraw/zinc/97/53/05/521975305.db2.gz ACUNBKCOLYCSTD-UHFFFAOYSA-N 0 0 446.381 4.940 50 0 IJAARN COc1cc(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc(OC)c1OC ZINC000012815626 522063827 /nfs/dbraw/zinc/06/38/27/522063827.db2.gz SUVGBFRDQOZLQP-UHFFFAOYSA-N 0 0 438.549 4.895 50 0 IJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC(C)(C)C ZINC000035770367 522097094 /nfs/dbraw/zinc/09/70/94/522097094.db2.gz GDBFVUNFEUXJHR-MRXNPFEDSA-N 0 0 436.549 4.702 50 0 IJAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 ZINC000012796922 522114834 /nfs/dbraw/zinc/11/48/34/522114834.db2.gz UZBGGGFITGTTAS-NSHDSACASA-N 0 0 426.694 4.604 50 0 IJAARN CC[C@@H](C)NC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1 ZINC000021102704 522143157 /nfs/dbraw/zinc/14/31/57/522143157.db2.gz GDWUAHODVKBGCX-GOSISDBHSA-N 0 0 433.600 4.719 50 0 IJAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000012597844 522173054 /nfs/dbraw/zinc/17/30/54/522173054.db2.gz BVSDFCPZSHNUDV-CQSZACIVSA-N 0 0 430.961 4.603 50 0 IJAARN COc1cc(C)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1OC ZINC000023123440 522197067 /nfs/dbraw/zinc/19/70/67/522197067.db2.gz IMOOWFRYLYIZLE-FNORWQNLSA-N 0 0 429.366 4.867 50 0 IJAARN COc1cc(C)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1OC ZINC000012796907 522214019 /nfs/dbraw/zinc/21/40/19/522214019.db2.gz IWGJAYQBMCBXKP-UHFFFAOYSA-N 0 0 430.302 4.521 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccco1)C(=O)c1ccc(F)cc1 ZINC000035945205 522222359 /nfs/dbraw/zinc/22/23/59/522222359.db2.gz BHRODVUXBRJBKX-UHFFFAOYSA-N 0 0 435.499 4.676 50 0 IJAARN COc1cc(CCC2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)cc(OC)c1 ZINC000024763044 522327561 /nfs/dbraw/zinc/32/75/61/522327561.db2.gz FIMYBTVABULKEU-UHFFFAOYSA-N 0 0 447.579 4.694 50 0 IJAARN COc1cc(CN(C)C(=O)CSc2nc(C)cs2)ccc1OCc1ccccc1 ZINC000012922263 522343702 /nfs/dbraw/zinc/34/37/02/522343702.db2.gz INWHOMCILRCYFU-UHFFFAOYSA-N 0 0 428.579 4.790 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1)C(=O)c1ccccc1Cl ZINC000035948567 522451703 /nfs/dbraw/zinc/45/17/03/522451703.db2.gz SHIPQWPZGWXQOG-FQEVSTJZSA-N 0 0 437.952 4.851 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl)C(=O)C1CC1 ZINC000035948282 522451896 /nfs/dbraw/zinc/45/18/96/522451896.db2.gz QTZMXWCMBVSGGT-HXUWFJFHSA-N 0 0 430.335 4.540 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSCc1ccc(F)cc1 ZINC000012549110 522502444 /nfs/dbraw/zinc/50/24/44/522502444.db2.gz HZVDNOZVIQGVIL-UHFFFAOYSA-N 0 0 448.869 4.828 50 0 IJAARN CN(CC(=O)Nc1cccc(F)c1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000012805976 522513222 /nfs/dbraw/zinc/51/32/22/522513222.db2.gz GGCDLYLXCRGSRE-UHFFFAOYSA-N 0 0 434.334 4.782 50 0 IJAARN CC[C@@H](CNC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O)c1ccccc1 ZINC000012750687 522533824 /nfs/dbraw/zinc/53/38/24/522533824.db2.gz PVRMHSKAMROYTL-SFHVURJKSA-N 0 0 431.561 4.743 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C[C@H]1CCCO1)C(C)=O ZINC000035972627 522637573 /nfs/dbraw/zinc/63/75/73/522637573.db2.gz YSQPAWQUVOYEHF-JOCHJYFZSA-N 0 0 437.515 4.894 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CC1CC1)C(=O)COC ZINC000035972701 522637843 /nfs/dbraw/zinc/63/78/43/522637843.db2.gz FJGIVDXVTWQOQQ-UHFFFAOYSA-N 0 0 437.515 4.751 50 0 IJAARN COc1cc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc(OC)c1 ZINC000021037425 522701488 /nfs/dbraw/zinc/70/14/88/522701488.db2.gz NRSIOSQQADUSHU-NRFANRHFSA-N 0 0 430.464 4.665 50 0 IJAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000035946158 522784599 /nfs/dbraw/zinc/78/45/99/522784599.db2.gz SKGXQUKLYGFOKB-LJQANCHMSA-N 0 0 439.600 4.864 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1Cl ZINC000035481177 522813034 /nfs/dbraw/zinc/81/30/34/522813034.db2.gz FEHPVGWAEZZNBV-UHFFFAOYSA-N 0 0 436.693 4.558 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000034708384 522877196 /nfs/dbraw/zinc/87/71/96/522877196.db2.gz UTMIPQGCDMHCTG-LOSJGSFVSA-N 0 0 434.580 4.561 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1cccc(F)c1 ZINC000012419454 522927487 /nfs/dbraw/zinc/92/74/87/522927487.db2.gz WCSNOFXUZSABQV-IBGZPJMESA-N 0 0 445.446 4.696 50 0 IJAARN COc1cc2c(cc1N1CC[C@H](C(=O)N[C@H](C)c3ccccc3)C1=O)oc1ccccc12 ZINC000034696185 523017610 /nfs/dbraw/zinc/01/76/10/523017610.db2.gz QDPOQTLJWCGXFP-VQIMIIECSA-N 0 0 428.488 4.825 50 0 IJAARN COc1cc2c(cc1OC)CN(Cn1c3ccccc3nc1COc1ccccc1)CC2 ZINC000023968351 523033632 /nfs/dbraw/zinc/03/36/32/523033632.db2.gz GYHFGYHCUOIXGT-UHFFFAOYSA-N 0 0 429.520 4.648 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(Cc1ccccc1)CC2 ZINC000036041033 523046408 /nfs/dbraw/zinc/04/64/08/523046408.db2.gz XLKUVTVMLVRTAF-DEOSSOPVSA-N 0 0 430.548 4.542 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012911951 523051004 /nfs/dbraw/zinc/05/10/04/523051004.db2.gz OJFOGZPGVWACQA-MHZLTWQESA-N 0 0 430.548 4.907 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021935809 523077917 /nfs/dbraw/zinc/07/79/17/523077917.db2.gz DOUFOIJGYAITGV-WOJBJXKFSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(F)cc1 ZINC000021935817 523079091 /nfs/dbraw/zinc/07/90/91/523079091.db2.gz BICPQAZGWQKTDA-MOPGFXCFSA-N 0 0 438.528 4.591 50 0 IJAARN COc1ccc(-c2c3c4c(sc3nc(C)c2C(=O)N2CCOCC2)C[C@@H](C)CC4)cc1 ZINC000012772144 523081991 /nfs/dbraw/zinc/08/19/91/523081991.db2.gz YUBYPULTDXHVOU-HNNXBMFYSA-N 0 0 436.577 4.878 50 0 IJAARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000012572472 523087770 /nfs/dbraw/zinc/08/77/70/523087770.db2.gz QJUJSRUUZCQPAL-XMMPIXPASA-N 0 0 426.463 4.972 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)no2)cc1 ZINC000021805287 523096226 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/nfs/dbraw/zinc/98/62/18/523986218.db2.gz GIEKIADPXASALH-UHFFFAOYSA-N 0 0 434.319 4.711 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](CC)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)cc1 ZINC000020563755 523987760 /nfs/dbraw/zinc/98/77/60/523987760.db2.gz HCNRONUUGIAIMP-JOCHJYFZSA-N 0 0 443.551 4.660 50 0 IJAARN COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000034735461 524027485 /nfs/dbraw/zinc/02/74/85/524027485.db2.gz UGJXQRDCZASSQF-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN CN1c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2Sc2ccccc2C1=O ZINC000035453761 524031699 /nfs/dbraw/zinc/03/16/99/524031699.db2.gz NSPRQRDQEPVOOI-UHFFFAOYSA-N 0 0 429.457 4.874 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)cc1 ZINC000033068868 524053141 /nfs/dbraw/zinc/05/31/41/524053141.db2.gz KIYDGTIPITWIMX-UHFFFAOYSA-N 0 0 447.535 4.777 50 0 IJAARN COc1ccc(CNC(=O)Cc2cnc(-c3c(Cl)cccc3Cl)s2)cc1OC ZINC000012322714 524055296 /nfs/dbraw/zinc/05/52/96/524055296.db2.gz YOBHNNBAMAQRJN-UHFFFAOYSA-N 0 0 437.348 4.993 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC ZINC000022504913 524061848 /nfs/dbraw/zinc/06/18/48/524061848.db2.gz AYTGGBYGZATOAV-UHFFFAOYSA-N 0 0 445.519 4.619 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(OC)c2)C3=O)c1 ZINC000020573827 524071381 /nfs/dbraw/zinc/07/13/81/524071381.db2.gz IOYONGBMPVYQDU-SANMLTNESA-N 0 0 444.556 4.737 50 0 IJAARN Cc1cccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000015834188 524106108 /nfs/dbraw/zinc/10/61/08/524106108.db2.gz XMXBSNXYHWPBDH-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)nn2)c1 ZINC000035398434 524108709 /nfs/dbraw/zinc/10/87/09/524108709.db2.gz LQYDWQXNPVTGHL-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000012900413 524125707 /nfs/dbraw/zinc/12/57/07/524125707.db2.gz YXVSLWSFZCOBHO-CQSZACIVSA-N 0 0 445.386 4.572 50 0 IJAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4c(C)cccc4C)n3)o2)c1 ZINC000021355580 524127885 /nfs/dbraw/zinc/12/78/85/524127885.db2.gz RGRWJCACCLGESF-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)n2)c1 ZINC000021792066 524130030 /nfs/dbraw/zinc/13/00/30/524130030.db2.gz GQWNAEDLWNVFPG-IBGZPJMESA-N 0 0 444.535 4.832 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000015680093 524133793 /nfs/dbraw/zinc/13/37/93/524133793.db2.gz CXBTUGXOVOIBRW-QAPCUYQASA-N 0 0 427.932 4.963 50 0 IJAARN COc1ccc(C[C@@H](C)NC(=O)C(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1OC ZINC000012401816 524136986 /nfs/dbraw/zinc/13/69/86/524136986.db2.gz MLBCOIVRWNHKQS-QGZVFWFLSA-N 0 0 442.515 4.782 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000021809242 524141071 /nfs/dbraw/zinc/14/10/71/524141071.db2.gz FYYYOKPPEHWTGJ-LPXYKDPNSA-N 0 0 441.622 4.874 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000035535270 524141293 /nfs/dbraw/zinc/14/12/93/524141293.db2.gz OWLOMCMTZPJDKI-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000021809412 524141269 /nfs/dbraw/zinc/14/12/69/524141269.db2.gz FBHBYHSQZBNDRT-SDWUMEBZSA-N 0 0 427.614 4.945 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)c1 ZINC000020735404 524153260 /nfs/dbraw/zinc/15/32/60/524153260.db2.gz SBEBFPARVGMKFZ-LFVJCYFKSA-N 0 0 446.934 4.774 50 0 IJAARN COc1cccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000022609821 524168170 /nfs/dbraw/zinc/16/81/70/524168170.db2.gz ZOUWQZFXVJPHFY-OAQYLSRUSA-N 0 0 434.565 4.549 50 0 IJAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000012506105 524180073 /nfs/dbraw/zinc/18/00/73/524180073.db2.gz YWEQXIULSGOPDF-UNMCSNQZSA-N 0 0 443.547 4.584 50 0 IJAARN Cc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1C(C)C ZINC000012898580 524180777 /nfs/dbraw/zinc/18/07/77/524180777.db2.gz VEKUMVUMXZBJCA-UHFFFAOYSA-N 0 0 433.508 4.962 50 0 IJAARN COc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000032986958 524187341 /nfs/dbraw/zinc/18/73/41/524187341.db2.gz PJWVPMURORTQNW-QFIPXVFZSA-N 0 0 428.941 4.706 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000022357413 524190844 /nfs/dbraw/zinc/19/08/44/524190844.db2.gz ZVGXEOQOPSSKKJ-VXGBXAGGSA-N 0 0 434.924 4.631 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)n[nH]1 ZINC000012823062 524191088 /nfs/dbraw/zinc/19/10/88/524191088.db2.gz CLZTZZFMNWIJIP-QMMMGPOBSA-N 0 0 442.850 4.670 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NCCc1sc2nc(-c3ccc(C)cc3)nn2c1C ZINC000015882100 524197206 /nfs/dbraw/zinc/19/72/06/524197206.db2.gz KUGXQHOIQGSEAC-UHFFFAOYSA-N 0 0 440.956 4.709 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033263673 524235670 /nfs/dbraw/zinc/23/56/70/524235670.db2.gz RKFDOIQMQXQTJJ-UHFFFAOYSA-N 0 0 435.915 4.506 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O ZINC000020768168 524241747 /nfs/dbraw/zinc/24/17/47/524241747.db2.gz SDSFAFXTNDMREC-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656450 524244277 /nfs/dbraw/zinc/24/42/77/524244277.db2.gz IIYCMSCHEDMTSZ-IRLDBZIGSA-N 0 0 430.552 4.623 50 0 IJAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc(Cl)cc4)c3s2)C1 ZINC000035533409 524248532 /nfs/dbraw/zinc/24/85/32/524248532.db2.gz FGBDYCGRMFPZJI-GFCCVEGCSA-N 0 0 433.990 4.707 50 0 IJAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccccc4Cl)c3s2)C1 ZINC000035533405 524249979 /nfs/dbraw/zinc/24/99/79/524249979.db2.gz QAPWJTFSYJFNFW-GFCCVEGCSA-N 0 0 433.990 4.707 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023824662 524252576 /nfs/dbraw/zinc/25/25/76/524252576.db2.gz NQSRMSAFJSIRQC-LBPRGKRZSA-N 0 0 447.288 4.556 50 0 IJAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4cccc(C)c4C)cc3c2=O)cc1 ZINC000021538604 524262749 /nfs/dbraw/zinc/26/27/49/524262749.db2.gz MRVJFNJMEKFNKA-UHFFFAOYSA-N 0 0 427.504 4.631 50 0 IJAARN Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2C)cc1 ZINC000012792128 524274859 /nfs/dbraw/zinc/27/48/59/524274859.db2.gz TWEIEOIUIHJNLZ-UHFFFAOYSA-N 0 0 428.941 4.939 50 0 IJAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000012342381 524278820 /nfs/dbraw/zinc/27/88/20/524278820.db2.gz VKDUGJXFNQIFII-QFIPXVFZSA-N 0 0 447.604 4.528 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020889261 524296811 /nfs/dbraw/zinc/29/68/11/524296811.db2.gz DWTZNPHPOSWWLA-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(C)c1 ZINC000012772361 524302092 /nfs/dbraw/zinc/30/20/92/524302092.db2.gz LETOJIGULPNSIO-MRXNPFEDSA-N 0 0 433.537 4.566 50 0 IJAARN C[C@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1)c1ccccc1 ZINC000021810975 524311071 /nfs/dbraw/zinc/31/10/71/524311071.db2.gz NAFPVKCFFGITIS-FXOOIVLDSA-N 0 0 447.579 4.947 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c(C)c1 ZINC000012654423 524315919 /nfs/dbraw/zinc/31/59/19/524315919.db2.gz LJNXLIADNFPDBJ-UHFFFAOYSA-N 0 0 433.961 4.915 50 0 IJAARN Cc1ccc(CCNC(=O)CNC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000020679584 524325709 /nfs/dbraw/zinc/32/57/09/524325709.db2.gz SFMPLHDXEQVEOZ-UHFFFAOYSA-N 0 0 441.616 4.502 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)c2ccc(C)cc2)C1 ZINC000035835435 524374038 /nfs/dbraw/zinc/37/40/38/524374038.db2.gz ZRXXTZVRESRJRT-OAQYLSRUSA-N 0 0 432.495 4.978 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018247607 524374325 /nfs/dbraw/zinc/37/43/25/524374325.db2.gz ZOEXBLRRPBBELF-FASAQXTFSA-N 0 0 442.309 4.594 50 0 IJAARN COc1ccccc1CCNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023450555 524419911 /nfs/dbraw/zinc/41/99/11/524419911.db2.gz FDMBICYQTMMVEC-UHFFFAOYSA-N 0 0 433.458 4.799 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000021811229 524431829 /nfs/dbraw/zinc/43/18/29/524431829.db2.gz FKMQTRPFDWUEJC-STTRJGPESA-N 0 0 433.552 4.652 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)o1 ZINC000021781967 524435637 /nfs/dbraw/zinc/43/56/37/524435637.db2.gz IWYZTOHUGKLIKP-RUZDIDTESA-N 0 0 435.524 4.513 50 0 IJAARN COc1ccccc1CN1C(=O)c2ccccc2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020386661 524447653 /nfs/dbraw/zinc/44/76/53/524447653.db2.gz QZMROIPZHOSELQ-HHHXNRCGSA-N 0 0 434.580 4.882 50 0 IJAARN Cc1cc(C)cc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)c1 ZINC000021523321 524456464 /nfs/dbraw/zinc/45/64/64/524456464.db2.gz AUTSXZLCYZSIKS-QHCPKHFHSA-N 0 0 448.592 4.992 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CSc3ccccc3)C2)c(C)c1 ZINC000012431258 524482251 /nfs/dbraw/zinc/48/22/51/524482251.db2.gz ZOXBEXQBBYYHKE-IBGZPJMESA-N 0 0 426.582 4.753 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983861 524482815 /nfs/dbraw/zinc/48/28/15/524482815.db2.gz HLFOFYPTUSMASQ-LPYMAVHISA-N 0 0 434.879 4.651 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734587 524483179 /nfs/dbraw/zinc/48/31/79/524483179.db2.gz DZQNPEPKLLYDPT-LPYMAVHISA-N 0 0 434.492 4.850 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(Cc4ccco4)c3C)cc2)n1 ZINC000012636562 524485167 /nfs/dbraw/zinc/48/51/67/524485167.db2.gz ZXRBHOZBOQWSDF-UHFFFAOYSA-N 0 0 431.492 4.588 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c(OC)c1 ZINC000033288936 524513273 /nfs/dbraw/zinc/51/32/73/524513273.db2.gz CZZHXXOXXROLMZ-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c(OC)c1 ZINC000011865881 524525133 /nfs/dbraw/zinc/52/51/33/524525133.db2.gz VIUGLSLXTJSKAX-UHFFFAOYSA-N 0 0 438.427 4.907 50 0 IJAARN Cc1cc(C)n(CCN(C(=O)Cc2cccs2)c2nc3c(cc(F)cc3F)s2)n1 ZINC000035597621 524525222 /nfs/dbraw/zinc/52/52/22/524525222.db2.gz LJUCYWNUYOUZQT-UHFFFAOYSA-N 0 0 432.521 4.725 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000021121558 524532607 /nfs/dbraw/zinc/53/26/07/524532607.db2.gz BYQPJCOOTSATNZ-GJZGRUSLSA-N 0 0 433.426 4.717 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398020 524533548 /nfs/dbraw/zinc/53/35/48/524533548.db2.gz UHZCNNLRCAFOEE-SIKLNZKXSA-N 0 0 432.543 4.637 50 0 IJAARN Cc1cccc(N2C3=C(C(=O)OC3)[C@H](c3ccc(OCc4ccccc4)cc3)CC2=O)c1 ZINC000035143105 524536144 /nfs/dbraw/zinc/53/61/44/524536144.db2.gz MQAMOHFPHZXXQF-QHCPKHFHSA-N 0 0 425.484 4.905 50 0 IJAARN Cc1cc(C)n(Cc2c(F)cccc2F)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000035836954 524536206 /nfs/dbraw/zinc/53/62/06/524536206.db2.gz JNPTZEWPRPEFLA-UHFFFAOYSA-N 0 0 427.470 4.533 50 0 IJAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000012344080 524556524 /nfs/dbraw/zinc/55/65/24/524556524.db2.gz SEWQTJZBKGCAOC-FQEVSTJZSA-N 0 0 426.314 4.896 50 0 IJAARN Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)CC2=O)c1 ZINC000021792237 524565498 /nfs/dbraw/zinc/56/54/98/524565498.db2.gz VKGKIZMLLBJSNE-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN COc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(OC)c1 ZINC000021037410 524574773 /nfs/dbraw/zinc/57/47/73/524574773.db2.gz SYARXFNJHWTEDF-NRFANRHFSA-N 0 0 430.464 4.665 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1OC ZINC000022507687 524579450 /nfs/dbraw/zinc/57/94/50/524579450.db2.gz VCVYTLRJKVOGTK-UHFFFAOYSA-N 0 0 431.492 4.827 50 0 IJAARN Cc1cc(C)nc(NC(=O)c2cc3nc(-c4ccc(C)c(C)c4)cc(C(F)(F)F)n3n2)n1 ZINC000016400278 524586150 /nfs/dbraw/zinc/58/61/50/524586150.db2.gz BESBAYBASYJJEA-UHFFFAOYSA-N 0 0 440.429 4.691 50 0 IJAARN Cc1cccc(NC(=O)CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1C ZINC000012692628 524597862 /nfs/dbraw/zinc/59/78/62/524597862.db2.gz CTPXOCDPZNCBGV-UHFFFAOYSA-N 0 0 444.560 4.645 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(C)cc(C)c2)cc1 ZINC000020616943 524627819 /nfs/dbraw/zinc/62/78/19/524627819.db2.gz PREIIVZNEJHOLG-WCTVFOPTSA-N 0 0 443.503 4.739 50 0 IJAARN Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3CCc2ccccc2)cc1 ZINC000035529409 524652829 /nfs/dbraw/zinc/65/28/29/524652829.db2.gz LSBWDSXLCXEELH-UHFFFAOYSA-N 0 0 432.574 4.949 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)CC(C)(C)C)CC4)c32)C1 ZINC000035865250 524726490 /nfs/dbraw/zinc/72/64/90/524726490.db2.gz IIUKANCBLHNCMT-OAHLLOKOSA-N 0 0 426.630 4.778 50 0 IJAARN COc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000012371744 524750199 /nfs/dbraw/zinc/75/01/99/524750199.db2.gz ICKOMADQURLDAI-HNNXBMFYSA-N 0 0 433.938 4.717 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCCCOC(C)C)CC2)cc1 ZINC000021159465 524771097 /nfs/dbraw/zinc/77/10/97/524771097.db2.gz AFXYTFNQQLKXHE-UHFFFAOYSA-N 0 0 448.611 4.541 50 0 IJAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CCc2ccco2)C3)c1 ZINC000012454036 524790676 /nfs/dbraw/zinc/79/06/76/524790676.db2.gz XCVWDHDMNOJDJL-IBGZPJMESA-N 0 0 441.911 4.670 50 0 IJAARN COc1ccc(OC)c(CCC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)c1 ZINC000012922320 524816472 /nfs/dbraw/zinc/81/64/72/524816472.db2.gz JJDKQXCTTOWKDA-UHFFFAOYSA-N 0 0 434.540 4.568 50 0 IJAARN COc1ccc(OC)c(CNC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000021656787 524832891 /nfs/dbraw/zinc/83/28/91/524832891.db2.gz XBEZFMTUHCKYJR-UHFFFAOYSA-N 0 0 447.560 4.921 50 0 IJAARN COc1ccc(OC)c(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)c1 ZINC000035616442 524871216 /nfs/dbraw/zinc/87/12/16/524871216.db2.gz NPQGYKURSMRLFL-UHFFFAOYSA-N 0 0 441.285 4.625 50 0 IJAARN COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CSc2ccccc2)cc1=O ZINC000015824529 524888239 /nfs/dbraw/zinc/88/82/39/524888239.db2.gz DOLHURQARMPZID-UHFFFAOYSA-N 0 0 448.466 4.807 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035528366 524902067 /nfs/dbraw/zinc/90/20/67/524902067.db2.gz ZXRSHOWUPIJXIP-UHFFFAOYSA-N 0 0 429.879 4.623 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000021862677 524931592 /nfs/dbraw/zinc/93/15/92/524931592.db2.gz KQVSVNNIMJBBFK-MHZLTWQESA-N 0 0 444.579 4.533 50 0 IJAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001088929 524931995 /nfs/dbraw/zinc/93/19/95/524931995.db2.gz KCIJVZDZECUOJA-JTSKRJEESA-N 0 0 435.549 4.650 50 0 IJAARN COc1ccc(OCc2ncc(C(=O)NC3CCCCCC3)c(-c3ccncc3)n2)cc1 ZINC000033300955 524977990 /nfs/dbraw/zinc/97/79/90/524977990.db2.gz XSCVGYRWROTEKL-UHFFFAOYSA-N 0 0 432.524 4.579 50 0 IJAARN C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000012631209 524987549 /nfs/dbraw/zinc/98/75/49/524987549.db2.gz SDKLVWBFOLPGPT-HNNXBMFYSA-N 0 0 446.931 4.700 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 ZINC000022485287 525006670 /nfs/dbraw/zinc/00/66/70/525006670.db2.gz DBCHILMBPBAYRP-OAQYLSRUSA-N 0 0 439.563 4.509 50 0 IJAARN Cc1ccccc1C(=O)N1C[C@@H](C(=O)NCC(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036041910 525050032 /nfs/dbraw/zinc/05/00/32/525050032.db2.gz XEDAHWAEKGQJAF-NHCUHLMSSA-N 0 0 432.486 4.642 50 0 IJAARN Cc1ccc(NC(=O)CN2c3sc4c(c3C(c3ccc(F)cc3)=NCC2=O)CCC4)cc1 ZINC000021021658 525060074 /nfs/dbraw/zinc/06/00/74/525060074.db2.gz PXHJGILOTMMGJV-UHFFFAOYSA-N 0 0 447.535 4.507 50 0 IJAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br ZINC000023525937 525061274 /nfs/dbraw/zinc/06/12/74/525061274.db2.gz LXGUTKWIITZLGM-OXQOHEQNSA-N 0 0 431.374 4.779 50 0 IJAARN Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035890271 525075564 /nfs/dbraw/zinc/07/55/64/525075564.db2.gz GPXYFMYBHUTXLM-UHFFFAOYSA-N 0 0 432.543 4.851 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12 ZINC000032953874 525085079 /nfs/dbraw/zinc/08/50/79/525085079.db2.gz DWMQUYJSQSZSOO-UHFFFAOYSA-N 0 0 441.329 4.786 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)cc1 ZINC000020532942 525104023 /nfs/dbraw/zinc/10/40/23/525104023.db2.gz VEQJOLJVAXRVFG-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561328 525171525 /nfs/dbraw/zinc/17/15/25/525171525.db2.gz VOVNNRRKUBTGBM-JOCHJYFZSA-N 0 0 430.504 4.738 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c(Cl)c1 ZINC000021156676 525185138 /nfs/dbraw/zinc/18/51/38/525185138.db2.gz AVNPQIATDSEEBL-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1 ZINC000033068283 525186287 /nfs/dbraw/zinc/18/62/87/525186287.db2.gz KTIBWHUKAXXJII-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN COc1ccc([C@@H](NC(=O)CSc2nc3cc(OC)ccc3[nH]2)c2ccccc2)cc1 ZINC000012603819 525194886 /nfs/dbraw/zinc/19/48/86/525194886.db2.gz VMNSUIQRGMSONS-QHCPKHFHSA-N 0 0 433.533 4.578 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1C ZINC000021885286 525199490 /nfs/dbraw/zinc/19/94/90/525199490.db2.gz XAQIQAWNWQOBLK-LJQANCHMSA-N 0 0 430.508 4.613 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000021809647 525202056 /nfs/dbraw/zinc/20/20/56/525202056.db2.gz DQGSIBAXQVWULY-HSZRJFAPSA-N 0 0 425.554 4.550 50 0 IJAARN Cc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1 ZINC000012769324 525217615 /nfs/dbraw/zinc/21/76/15/525217615.db2.gz PYKIIMJNFZJXMU-UHFFFAOYSA-N 0 0 448.997 4.564 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1C ZINC000021885284 525219749 /nfs/dbraw/zinc/21/97/49/525219749.db2.gz XAQIQAWNWQOBLK-IBGZPJMESA-N 0 0 430.508 4.613 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 ZINC000017135955 525240997 /nfs/dbraw/zinc/24/09/97/525240997.db2.gz IXZIIQYWOPVIOP-UHFFFAOYSA-N 0 0 430.533 4.766 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012766917 525274688 /nfs/dbraw/zinc/27/46/88/525274688.db2.gz JHAPTVLKEOWTNI-PXDATVDWSA-N 0 0 438.568 4.659 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@H]3C)c2)cc1 ZINC000012584709 525303741 /nfs/dbraw/zinc/30/37/41/525303741.db2.gz NHTRTMJODPDWHR-MRXNPFEDSA-N 0 0 426.563 4.617 50 0 IJAARN Cc1nc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)[nH]c1Cc1ccccc1 ZINC000012559446 525416004 /nfs/dbraw/zinc/41/60/04/525416004.db2.gz WGLFQENUWJCMBR-NRFANRHFSA-N 0 0 437.540 4.762 50 0 IJAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N[C@@H](C)c4nc5ccccc5[nH]4)o3)cc2c1C ZINC000021150199 525419930 /nfs/dbraw/zinc/41/99/30/525419930.db2.gz WNDGIBGCZSOVJB-AWEZNQCLSA-N 0 0 446.536 4.681 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccccc3Cl)nc12 ZINC000021156788 525460368 /nfs/dbraw/zinc/46/03/68/525460368.db2.gz XTMDEFMHJKXLDW-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(S(=O)(=O)CCc2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1 ZINC000035453697 525487641 /nfs/dbraw/zinc/48/76/41/525487641.db2.gz BAJUCULEVOPRTQ-UHFFFAOYSA-N 0 0 436.537 4.526 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)OCc3coc(-c4cccs4)n3)c(=O)oc2c1 ZINC000012835595 525496755 /nfs/dbraw/zinc/49/67/55/525496755.db2.gz NRKVWFXDGHREAY-UHFFFAOYSA-N 0 0 425.462 4.503 50 0 IJAARN Cc1cc([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715025 525499899 /nfs/dbraw/zinc/49/98/99/525499899.db2.gz LQRQSBFUTDUBMM-JWQCQUIFSA-N 0 0 444.550 4.739 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000033141745 525501133 /nfs/dbraw/zinc/50/11/33/525501133.db2.gz LTMYHXRLOXSVDE-SFHVURJKSA-N 0 0 442.606 4.633 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813149 525508852 /nfs/dbraw/zinc/50/88/52/525508852.db2.gz JTVRSIZSMNIQDM-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccccc3C)n2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000020986695 525512872 /nfs/dbraw/zinc/51/28/72/525512872.db2.gz FZKAZJDCPRSOIL-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C)cc3)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020597784 525513491 /nfs/dbraw/zinc/51/34/91/525513491.db2.gz STLVRLGFTNODOX-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc3ncccc32)c1 ZINC000012599481 525536939 /nfs/dbraw/zinc/53/69/39/525536939.db2.gz INUZYVJMXWTFKV-QGZVFWFLSA-N 0 0 443.528 4.627 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)no1 ZINC000021718715 525545663 /nfs/dbraw/zinc/54/56/63/525545663.db2.gz QYZMLRXEHGCASI-OAHLLOKOSA-N 0 0 447.442 4.750 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)Cc2cccs2)CC1 ZINC000034813035 525570147 /nfs/dbraw/zinc/57/01/47/525570147.db2.gz DLYQWBLNYDKLHO-UHFFFAOYSA-N 0 0 447.560 4.636 50 0 IJAARN Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)oc2c1C(=O)CCC2 ZINC000020546982 525581688 /nfs/dbraw/zinc/58/16/88/525581688.db2.gz MZIYJKRIECCIAS-UHFFFAOYSA-N 0 0 428.532 4.654 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)nc2c1 ZINC000033068037 525606512 /nfs/dbraw/zinc/60/65/12/525606512.db2.gz JBQMYPZGYDIYLA-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(C)c(C)c3)nc2c1 ZINC000015865438 525606706 /nfs/dbraw/zinc/60/67/06/525606706.db2.gz JHYHDBBCDOLTFQ-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCCc2ccccc2)C3=O)o1 ZINC000021810754 525615718 /nfs/dbraw/zinc/61/57/18/525615718.db2.gz RYQBQUCYJXJMFK-MHZLTWQESA-N 0 0 447.579 4.839 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1C ZINC000012561035 525615891 /nfs/dbraw/zinc/61/58/91/525615891.db2.gz RFRHSAXDNINYRE-UHFFFAOYSA-N 0 0 442.562 4.767 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000020940101 525630883 /nfs/dbraw/zinc/63/08/83/525630883.db2.gz XJZCEKUZGSQCBV-UHFFFAOYSA-N 0 0 447.922 4.914 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012419718 525633343 /nfs/dbraw/zinc/63/33/43/525633343.db2.gz PTDODSUWCKIICM-HOTGVXAUSA-N 0 0 446.956 4.750 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C1CCCC1)C3=O ZINC000020903211 525642153 /nfs/dbraw/zinc/64/21/53/525642153.db2.gz KJERNMAJMQZBTP-SANMLTNESA-N 0 0 437.584 4.646 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1cc(C)cc(C)c1)C3=O ZINC000021857485 525644774 /nfs/dbraw/zinc/64/47/74/525644774.db2.gz RPJIBDBGKVEPAU-HHHXNRCGSA-N 0 0 445.563 4.745 50 0 IJAARN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000012441339 525655029 /nfs/dbraw/zinc/65/50/29/525655029.db2.gz IQIIZKPSJOZPFU-UHFFFAOYSA-N 0 0 444.516 4.667 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCc3cccc(Cl)c3)c2cc1C ZINC000032944917 525670431 /nfs/dbraw/zinc/67/04/31/525670431.db2.gz RKBSMOYBSXHNKC-CYBMUJFWSA-N 0 0 437.849 4.563 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCc3ccccc3Cl)c2cc1C ZINC000032944932 525670617 /nfs/dbraw/zinc/67/06/17/525670617.db2.gz GCSYATLCKOCGMS-CYBMUJFWSA-N 0 0 437.849 4.563 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1C ZINC000012922133 525672802 /nfs/dbraw/zinc/67/28/02/525672802.db2.gz KXDJHZGXSQFLDQ-IBGZPJMESA-N 0 0 443.576 4.912 50 0 IJAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)c5ccccc5)cc4s3)cc(=O)n2o1 ZINC000020583363 525675328 /nfs/dbraw/zinc/67/53/28/525675328.db2.gz HVCQRQOCPOOXGB-UHFFFAOYSA-N 0 0 448.529 4.750 50 0 IJAARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012753054 525707230 /nfs/dbraw/zinc/70/72/30/525707230.db2.gz ZXYBVEGQMCKOOR-GFCCVEGCSA-N 0 0 441.837 4.805 50 0 IJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)no2)c1 ZINC000035460688 525723068 /nfs/dbraw/zinc/72/30/68/525723068.db2.gz AWMYXXGEKKFTHO-UHFFFAOYSA-N 0 0 436.899 4.900 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(F)c4)nc3n2)cc1 ZINC000021660535 525732062 /nfs/dbraw/zinc/73/20/62/525732062.db2.gz CUEMSRNHBCFQBQ-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN Cc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 ZINC000032985893 525737012 /nfs/dbraw/zinc/73/70/12/525737012.db2.gz VHMXMCPZANSFFC-UHFFFAOYSA-N 0 0 426.472 4.999 50 0 IJAARN COc1cccc(-n2c(=O)c3c(nc2SCc2c(F)cccc2Cl)CCS3)c1 ZINC000012140664 525741487 /nfs/dbraw/zinc/74/14/87/525741487.db2.gz DRDKVUMICHDFIE-UHFFFAOYSA-N 0 0 434.945 4.974 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)nn2)cc1 ZINC000035398538 525753224 /nfs/dbraw/zinc/75/32/24/525753224.db2.gz WWQMRTIRMWDUBS-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)C(C)C)C3CC3)n2)cc1 ZINC000036051313 525766654 /nfs/dbraw/zinc/76/66/54/525766654.db2.gz XJTDQQJJTVJHGZ-UHFFFAOYSA-N 0 0 430.552 4.742 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035949456 525792709 /nfs/dbraw/zinc/79/27/09/525792709.db2.gz LJCVANAHKITEQY-QHCPKHFHSA-N 0 0 434.584 4.729 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)cc1F ZINC000035460656 525798192 /nfs/dbraw/zinc/79/81/92/525798192.db2.gz OXXGHJYQICPJBW-UHFFFAOYSA-N 0 0 447.514 4.994 50 0 IJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4ccc(C(F)(F)F)cc4)n3n2)cc1 ZINC000020556882 525827157 /nfs/dbraw/zinc/82/71/57/525827157.db2.gz SGGHWDVRHSMFRC-UHFFFAOYSA-N 0 0 430.455 4.758 50 0 IJAARN Cc1ccc(-c2nn(C[C@@H](O)c3cccc(Br)c3)c(=O)c3ccccc32)cc1 ZINC000013007104 525840656 /nfs/dbraw/zinc/84/06/56/525840656.db2.gz NBBOOIGEYZKYJY-OAQYLSRUSA-N 0 0 435.321 4.868 50 0 IJAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccc5c(c4)OCO5)n3)o2)cc1 ZINC000035558544 525843745 /nfs/dbraw/zinc/84/37/45/525843745.db2.gz WXUIWPZRLJAKED-UHFFFAOYSA-N 0 0 437.459 4.996 50 0 IJAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccccc4C)n3)o2)cc1 ZINC000021721629 525857869 /nfs/dbraw/zinc/85/78/69/525857869.db2.gz VHDAQWZUXXORMK-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3nc(CN4C[C@@H](C)C[C@H](C)C4)cs3)n2)cc1 ZINC000022295735 525875755 /nfs/dbraw/zinc/87/57/55/525875755.db2.gz IPJFEHGVUZCNSJ-IRXDYDNUSA-N 0 0 439.585 4.551 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3CCCCC3)nnc2-c2cccnc2)c(C)c1 ZINC000012608234 525903556 /nfs/dbraw/zinc/90/35/56/525903556.db2.gz FEHMXAWBBPEMFP-SFHVURJKSA-N 0 0 435.597 4.876 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000021339047 525957863 /nfs/dbraw/zinc/95/78/63/525957863.db2.gz UKQHOBZSOAZJKX-CQSZACIVSA-N 0 0 430.501 4.553 50 0 IJAARN CSc1ccc(CC(=O)NCc2nc(-c3ccccc3NC(=O)C3CCC3)oc2C)cc1 ZINC000011881766 525983664 /nfs/dbraw/zinc/98/36/64/525983664.db2.gz JPWYHLBEYXPIGF-UHFFFAOYSA-N 0 0 449.576 4.969 50 0 IJAARN CSc1ccc(CN(C)C(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000023531246 525987574 /nfs/dbraw/zinc/98/75/74/525987574.db2.gz FZEMYLUBTIECLI-LFCNWEHWSA-N 0 0 428.642 4.724 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398526 525995988 /nfs/dbraw/zinc/99/59/88/525995988.db2.gz AQNZEXLOJXRPQS-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000035398461 525996711 /nfs/dbraw/zinc/99/67/11/525996711.db2.gz YRMRAZQNSMKPJD-UHFFFAOYSA-N 0 0 436.556 4.537 50 0 IJAARN C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)c1nc2ccccc2s1 ZINC000012810040 526012899 /nfs/dbraw/zinc/01/28/99/526012899.db2.gz MBVRGNXJRJXKJV-MRXNPFEDSA-N 0 0 437.594 4.626 50 0 IJAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012557802 526014623 /nfs/dbraw/zinc/01/46/23/526014623.db2.gz HDRWQUXCZSOOBA-ZDUSSCGKSA-N 0 0 439.566 4.526 50 0 IJAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1ccc2ccccc2c1 ZINC000022083496 526014714 /nfs/dbraw/zinc/01/47/14/526014714.db2.gz BLQFMPRFHLVVMN-BTYIYWSLSA-N 0 0 446.532 4.600 50 0 IJAARN C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC(=O)Nc1ccccc1Cl ZINC000016589553 526022652 /nfs/dbraw/zinc/02/26/52/526022652.db2.gz WZPAVKHNWJDGIP-GOSISDBHSA-N 0 0 435.955 4.505 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)C2CC2)cc1 ZINC000034921342 526075188 /nfs/dbraw/zinc/07/51/88/526075188.db2.gz BYHQPGNQXLBXSQ-UHFFFAOYSA-N 0 0 439.508 4.707 50 0 IJAARN Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCCCC4)cc3C(=O)N3CCCC3)cc2c1 ZINC000020890814 526095302 /nfs/dbraw/zinc/09/53/02/526095302.db2.gz OJVPCXNRHQDCIU-UHFFFAOYSA-N 0 0 444.579 4.675 50 0 IJAARN C[C@@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)c3ccccc3)[C@H](C)C2)cc2ccoc21 ZINC000035844053 526098121 /nfs/dbraw/zinc/09/81/21/526098121.db2.gz PXAJVOMCGFUUGA-UXHICEINSA-N 0 0 441.531 4.830 50 0 IJAARN CSc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863851 526108760 /nfs/dbraw/zinc/10/87/60/526108760.db2.gz YOIFXCXJYBQVIP-RUZDIDTESA-N 0 0 449.576 4.948 50 0 IJAARN C[C@H](c1ccccc1)n1c(C(=O)N2CCN(C(=O)c3ccccc3)[C@@H](C)C2)cc2ccoc21 ZINC000035844059 526109838 /nfs/dbraw/zinc/10/98/38/526109838.db2.gz PXAJVOMCGFUUGA-VQTJNVASSA-N 0 0 441.531 4.830 50 0 IJAARN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000012748153 526111209 /nfs/dbraw/zinc/11/12/09/526111209.db2.gz KDACZGMUVFWLBH-UHFFFAOYSA-N 0 0 432.611 4.545 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c1 ZINC000021099487 526128918 /nfs/dbraw/zinc/12/89/18/526128918.db2.gz FLTKGCZJBRBIKW-UHFFFAOYSA-N 0 0 432.505 4.639 50 0 IJAARN Cc1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000036043599 526138209 /nfs/dbraw/zinc/13/82/09/526138209.db2.gz IMHLVZAIIRIYAS-LOSJGSFVSA-N 0 0 430.523 4.615 50 0 IJAARN Cc1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C(=O)N(C)C(C)C)C2)cc1 ZINC000036042269 526138765 /nfs/dbraw/zinc/13/87/65/526138765.db2.gz OCCBWBBYLWRFQA-LEWJYISDSA-N 0 0 432.486 4.736 50 0 IJAARN COc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 ZINC000021661320 526140642 /nfs/dbraw/zinc/14/06/42/526140642.db2.gz VUJONCXPISVEJN-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000021104716 526142339 /nfs/dbraw/zinc/14/23/39/526142339.db2.gz PNUGLQNMUIDNJM-NRFANRHFSA-N 0 0 425.872 4.532 50 0 IJAARN Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001105871 526144504 /nfs/dbraw/zinc/14/45/04/526144504.db2.gz NQXTYNDUTNKAHW-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000012864468 526173835 /nfs/dbraw/zinc/17/38/35/526173835.db2.gz OQGYKWPTGMRBLR-UHFFFAOYSA-N 0 0 443.478 4.760 50 0 IJAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000012913579 526182754 /nfs/dbraw/zinc/18/27/54/526182754.db2.gz QNMQBNKPYKPMDI-CYBMUJFWSA-N 0 0 439.562 4.677 50 0 IJAARN C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022912556 526183820 /nfs/dbraw/zinc/18/38/20/526183820.db2.gz MKMQJCNQBLJXCT-HNNXBMFYSA-N 0 0 434.437 4.773 50 0 IJAARN COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)c1 ZINC000012344061 526189836 /nfs/dbraw/zinc/18/98/36/526189836.db2.gz ZQERQHWFQOEXNV-FQEVSTJZSA-N 0 0 426.314 4.896 50 0 IJAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)c1 ZINC000021639355 526212801 /nfs/dbraw/zinc/21/28/01/526212801.db2.gz HGZRYHRQCARYMJ-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN CSc1ncc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000012534978 526220410 /nfs/dbraw/zinc/22/04/10/526220410.db2.gz OYHOMKRGZMRCRR-UHFFFAOYSA-N 0 0 444.919 4.766 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000015680094 526256935 /nfs/dbraw/zinc/25/69/35/526256935.db2.gz CXBTUGXOVOIBRW-YJBOKZPZSA-N 0 0 427.932 4.963 50 0 IJAARN O=C(C1CCCC1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 ZINC000035979692 526295568 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IJAARN O=C(NCCc1cccs1)c1ccccc1NC(=O)c1ccccc1Br ZINC000012919268 526445229 /nfs/dbraw/zinc/44/52/29/526445229.db2.gz OIDKQENILLXCAA-UHFFFAOYSA-N 0 0 429.339 4.735 50 0 IJAARN Cc1csc2nc(COc3ccccc3NC(=O)c3cccc(Cl)c3)cc(=O)n12 ZINC000041077399 526456773 /nfs/dbraw/zinc/45/67/73/526456773.db2.gz LBFMYESYDTUYAU-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN O=C(CCCc1nc2ccccc2s1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000012688461 526467370 /nfs/dbraw/zinc/46/73/70/526467370.db2.gz AKLYQGXIZSAHSA-UHFFFAOYSA-N 0 0 438.578 4.704 50 0 IJAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)Nc1cccc(F)c1 ZINC000033031934 526468614 /nfs/dbraw/zinc/46/86/14/526468614.db2.gz HWNZMBTVKKKFIL-UHFFFAOYSA-N 0 0 442.288 4.575 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000012868207 526549375 /nfs/dbraw/zinc/54/93/75/526549375.db2.gz KEQJSUJJGKSFCR-SFHVURJKSA-N 0 0 447.601 4.578 50 0 IJAARN O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012567658 526580026 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IJAARN O=C(NCc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000036041284 526673038 /nfs/dbraw/zinc/67/30/38/526673038.db2.gz PRDBZPGXQMHAFL-XZOQPEGZSA-N 0 0 436.914 4.651 50 0 IJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)c12 ZINC000022081773 526678105 /nfs/dbraw/zinc/67/81/05/526678105.db2.gz YEARGVMUHBNUHA-UHFFFAOYSA-N 0 0 446.444 4.896 50 0 IJAARN Cc1noc2nc(C)cc(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)c12 ZINC000022233745 526679026 /nfs/dbraw/zinc/67/90/26/526679026.db2.gz YQEVHFIBZCIKHR-UHFFFAOYSA-N 0 0 437.503 4.965 50 0 IJAARN O=C(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610977 526691078 /nfs/dbraw/zinc/69/10/78/526691078.db2.gz IGXJPMQLDNFBIB-UHFFFAOYSA-N 0 0 441.260 4.740 50 0 IJAARN O=C(c1ccc(I)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012932177 526696983 /nfs/dbraw/zinc/69/69/83/526696983.db2.gz ARVVYWHFZNIDAM-CQSZACIVSA-N 0 0 448.329 4.921 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCc1ccc(F)cc1 ZINC000020731325 526706177 /nfs/dbraw/zinc/70/61/77/526706177.db2.gz AXBFWKQPWYNDEU-LPYMAVHISA-N 0 0 436.870 4.562 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O)N1CCCC1 ZINC000012628914 526714803 /nfs/dbraw/zinc/71/48/03/526714803.db2.gz FFNXWIYISIQWGH-WJDWOHSUSA-N 0 0 448.953 4.743 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166831 526716124 /nfs/dbraw/zinc/71/61/24/526716124.db2.gz QVXSYOXFZPFYBP-UHFFFAOYSA-N 0 0 438.357 4.939 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000017204076 526726733 /nfs/dbraw/zinc/72/67/33/526726733.db2.gz JELKXFJHLRORSY-UHFFFAOYSA-N 0 0 437.908 4.963 50 0 IJAARN Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000012263459 526740321 /nfs/dbraw/zinc/74/03/21/526740321.db2.gz CSPNRXUHMJFHAE-FQEVSTJZSA-N 0 0 426.900 4.801 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 ZINC000012477204 526741256 /nfs/dbraw/zinc/74/12/56/526741256.db2.gz UTIZVMVAZUWTDM-SFHVURJKSA-N 0 0 433.533 4.831 50 0 IJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020732974 526764343 /nfs/dbraw/zinc/76/43/43/526764343.db2.gz SUNHKBDUEDRDRC-XMMPIXPASA-N 0 0 425.532 4.845 50 0 IJAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020533179 526796645 /nfs/dbraw/zinc/79/66/45/526796645.db2.gz ZMNBCJXBGZZQOX-DUOVIKOCSA-N 0 0 444.531 4.645 50 0 IJAARN O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000012437284 526803948 /nfs/dbraw/zinc/80/39/48/526803948.db2.gz BTXORGNQALUPPV-MRXNPFEDSA-N 0 0 447.638 4.604 50 0 IJAARN Cc1nc(CCNC(=O)CCc2nnc(Cc3ccc(-c4ccccc4)cc3)o2)sc1C ZINC000012593742 526815840 /nfs/dbraw/zinc/81/58/40/526815840.db2.gz LDBRHCREAVSRHI-UHFFFAOYSA-N 0 0 446.576 4.692 50 0 IJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000023082918 526842879 /nfs/dbraw/zinc/84/28/79/526842879.db2.gz IJIXQKIJWIVRJB-JTQLQIEISA-N 0 0 432.263 4.929 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)Cc2ccc3c(c2)CCCC3)o1 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IJAARN Cc1ccc(OCC(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1C ZINC000000678412 555536075 /nfs/dbraw/zinc/53/60/75/555536075.db2.gz VOCOFHUEPQVHJE-UHFFFAOYSA-N 0 0 446.532 4.707 50 0 IJAARN CCC[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000000679904 555537109 /nfs/dbraw/zinc/53/71/09/555537109.db2.gz ZLMKQTPPLKQDFE-GFCCVEGCSA-N 0 0 435.387 4.696 50 0 IJAARN CN(c1ccccc1C(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O ZINC000000682165 555538026 /nfs/dbraw/zinc/53/80/26/555538026.db2.gz SMMOEQMKFDMKKT-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1O ZINC000000682985 555538484 /nfs/dbraw/zinc/53/84/84/555538484.db2.gz XORAVNKUNNPVJK-SNVBAGLBSA-N 0 0 429.108 4.632 50 0 IJAARN COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Br)c1OC ZINC000000684421 555539215 /nfs/dbraw/zinc/53/92/15/555539215.db2.gz DMFNFAMMDAVMRL-XGICHPGQSA-N 0 0 439.103 4.722 50 0 IJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(Cl)ccc1OC ZINC000000684535 555539224 /nfs/dbraw/zinc/53/92/24/555539224.db2.gz ARAZRORIKVPFFZ-FQEVSTJZSA-N 0 0 442.928 4.757 50 0 IJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cc(Cl)ccc1OC ZINC000000684536 555539234 /nfs/dbraw/zinc/53/92/34/555539234.db2.gz ARAZRORIKVPFFZ-HXUWFJFHSA-N 0 0 442.928 4.757 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000689086 555541339 /nfs/dbraw/zinc/54/13/39/555541339.db2.gz PTCVRRJDFBKVKS-UHFFFAOYSA-N 0 0 425.462 4.581 50 0 IJAARN O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000000720752 555550008 /nfs/dbraw/zinc/55/00/08/555550008.db2.gz UVTHWVMWBLCZPQ-NHCUHLMSSA-N 0 0 427.378 4.970 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)c(OC)c1 ZINC000000720949 555550198 /nfs/dbraw/zinc/55/01/98/555550198.db2.gz NWSLHEPYBOSEEV-UHFFFAOYSA-N 0 0 448.426 4.746 50 0 IJAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1 ZINC000000724670 555551099 /nfs/dbraw/zinc/55/10/99/555551099.db2.gz QDJLAHYRMRTLBP-NSHDSACASA-N 0 0 437.359 4.804 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OC)cc1 ZINC000000796441 555558355 /nfs/dbraw/zinc/55/83/55/555558355.db2.gz FJOCTEMMVWVKKD-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000000832268 555566423 /nfs/dbraw/zinc/56/64/23/555566423.db2.gz OUZXOTSWQVLZPU-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1C ZINC000000832406 555566517 /nfs/dbraw/zinc/56/65/17/555566517.db2.gz OMAJCDUSRJZFEQ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)cc2)cc1 ZINC000000833259 555566652 /nfs/dbraw/zinc/56/66/52/555566652.db2.gz GOVIRTFCCOGCIZ-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(Br)c2)NC(=S)N1 ZINC000000845542 555569302 /nfs/dbraw/zinc/56/93/02/555569302.db2.gz QDJUNSNTZOIWLQ-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000000848708 555570199 /nfs/dbraw/zinc/57/01/99/555570199.db2.gz RMBLOOKHTMFCOO-UHFFFAOYSA-N 0 0 440.381 4.705 50 0 IJAARN COc1cc(/C=C/C(=O)N(C)Cc2ccc(Br)cc2)ccc1OC(F)F ZINC000009439123 555570470 /nfs/dbraw/zinc/57/04/70/555570470.db2.gz XEFAOYGFOVRHNF-UXBLZVDNSA-N 0 0 426.257 4.731 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000861146 555572371 /nfs/dbraw/zinc/57/23/71/555572371.db2.gz RUKMOBHMYCMLCR-VWLOTQADSA-N 0 0 442.515 4.679 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000000862214 555572535 /nfs/dbraw/zinc/57/25/35/555572535.db2.gz HMOKNNCWPTUPSQ-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cccnc2)cc1 ZINC000000873217 555575932 /nfs/dbraw/zinc/57/59/32/555575932.db2.gz LGOYZXBARSZGOE-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1OC ZINC000000881503 555577435 /nfs/dbraw/zinc/57/74/35/555577435.db2.gz ITFMPUMOLNBPPS-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009670903 555586522 /nfs/dbraw/zinc/58/65/22/555586522.db2.gz ZKXWGJRSZACSNF-UHFFFAOYSA-N 0 0 442.850 4.679 50 0 IJAARN O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000000952130 555589416 /nfs/dbraw/zinc/58/94/16/555589416.db2.gz NNABUVSHURTVTL-UHFFFAOYSA-N 0 0 443.330 4.983 50 0 IJAARN O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000955500 555589963 /nfs/dbraw/zinc/58/99/63/555589963.db2.gz ORPVJICOBCFBJZ-UHFFFAOYSA-N 0 0 443.330 4.983 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 ZINC000000976964 555592639 /nfs/dbraw/zinc/59/26/39/555592639.db2.gz SWAPLQHLAAJZFZ-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000000982885 555593930 /nfs/dbraw/zinc/59/39/30/555593930.db2.gz IZVOFYATKXUYAB-RUZDIDTESA-N 0 0 445.544 4.672 50 0 IJAARN CC[C@H](OC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1)C(=O)c1ccccc1 ZINC000000992483 555596866 /nfs/dbraw/zinc/59/68/66/555596866.db2.gz MNVZAKHIPUAKBC-NRFANRHFSA-N 0 0 447.487 4.774 50 0 IJAARN CC(C)CNC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000996203 555598642 /nfs/dbraw/zinc/59/86/42/555598642.db2.gz QWIUAHSNHZXQIB-UHFFFAOYSA-N 0 0 441.251 4.563 50 0 IJAARN Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000997464 555599274 /nfs/dbraw/zinc/59/92/74/555599274.db2.gz GGZYACIWNQYFRD-HSZRJFAPSA-N 0 0 429.545 4.957 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc21 ZINC000000997421 555599281 /nfs/dbraw/zinc/59/92/81/555599281.db2.gz LXERPGUWDXOADG-UHFFFAOYSA-N 0 0 442.471 4.958 50 0 IJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000000998842 555599636 /nfs/dbraw/zinc/59/96/36/555599636.db2.gz VWQPDIKQUFJNAA-AZUAARDMSA-N 0 0 428.458 4.824 50 0 IJAARN CCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001006542 555601097 /nfs/dbraw/zinc/60/10/97/555601097.db2.gz BKWYLUNTJHBGAG-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC000001030266 555605671 /nfs/dbraw/zinc/60/56/71/555605671.db2.gz UNVDOQQWSUABQR-UHFFFAOYSA-N 0 0 437.254 4.892 50 0 IJAARN COc1ccc([C@H]2c3ccsc3CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000001039061 555609397 /nfs/dbraw/zinc/60/93/97/555609397.db2.gz NIEZRLKORNYTLB-FQEVSTJZSA-N 0 0 437.945 4.886 50 0 IJAARN O=C(COc1ccccc1OC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000001042327 555610078 /nfs/dbraw/zinc/61/00/78/555610078.db2.gz JDUISDHIBPRSSD-UHFFFAOYSA-N 0 0 430.287 4.908 50 0 IJAARN COC(=O)c1c(NC(=O)NCc2cccs2)onc1-c1c(Cl)cccc1Cl ZINC000001042797 555610215 /nfs/dbraw/zinc/61/02/15/555610215.db2.gz RCRMZZBWZVUOAY-UHFFFAOYSA-N 0 0 426.281 4.818 50 0 IJAARN COc1ccc2c3c(c(=O)oc2c1OCC(=O)c1ccc(N2CCCC2)cc1)CCCC3 ZINC000001050259 555612952 /nfs/dbraw/zinc/61/29/52/555612952.db2.gz ALTMJXHLFFRISU-UHFFFAOYSA-N 0 0 433.504 4.542 50 0 IJAARN O=C(COc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 ZINC000001052035 555613308 /nfs/dbraw/zinc/61/33/08/555613308.db2.gz NNWXTOOWKLLHKX-UHFFFAOYSA-N 0 0 432.501 4.956 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 ZINC000001057209 555614827 /nfs/dbraw/zinc/61/48/27/555614827.db2.gz CSJAGJXTUROQQG-OAHLLOKOSA-N 0 0 438.549 4.761 50 0 IJAARN O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br ZINC000001060841 555616018 /nfs/dbraw/zinc/61/60/18/555616018.db2.gz SGCMAORDPAFACE-UHFFFAOYSA-N 0 0 441.350 4.821 50 0 IJAARN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000001072126 555621520 /nfs/dbraw/zinc/62/15/20/555621520.db2.gz OGNNSEXWXAUCJW-AWEZNQCLSA-N 0 0 435.749 4.965 50 0 IJAARN CC[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000001073003 555622288 /nfs/dbraw/zinc/62/22/88/555622288.db2.gz HGXUVFLIBUMLOE-ZWUNQBBJSA-N 0 0 446.532 4.877 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cccc(F)c1 ZINC000001076846 555624604 /nfs/dbraw/zinc/62/46/04/555624604.db2.gz IQAMFRNQJVYOLP-UHFFFAOYSA-N 0 0 432.517 4.687 50 0 IJAARN CCOC(=O)c1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1 ZINC000001101474 555628964 /nfs/dbraw/zinc/62/89/64/555628964.db2.gz HXTOFUGBRUCIFV-KRWDZBQOSA-N 0 0 426.485 4.725 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000001111693 555632042 /nfs/dbraw/zinc/63/20/42/555632042.db2.gz ZPYONZUVZOJKBW-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001112088 555632464 /nfs/dbraw/zinc/63/24/64/555632464.db2.gz ACZMODPPJFSBRK-UHFFFAOYSA-N 0 0 432.134 4.898 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000001114398 555633538 /nfs/dbraw/zinc/63/35/38/555633538.db2.gz NSMZZIOFYWVAKZ-UWVGGRQHSA-N 0 0 427.353 4.685 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3)nn12 ZINC000001116198 555634625 /nfs/dbraw/zinc/63/46/25/555634625.db2.gz ZORVLWBNRPKZJT-JTQLQIEISA-N 0 0 448.335 4.874 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000001120784 555637621 /nfs/dbraw/zinc/63/76/21/555637621.db2.gz DKXFGKHTDPFQAA-IBGZPJMESA-N 0 0 430.892 4.887 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 ZINC000001125436 555640554 /nfs/dbraw/zinc/64/05/54/555640554.db2.gz VDKJVNCBSUABFX-LJQANCHMSA-N 0 0 428.561 4.963 50 0 IJAARN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000001129797 555643730 /nfs/dbraw/zinc/64/37/30/555643730.db2.gz UXQOPSNQJFZHAL-UHFFFAOYSA-N 0 0 441.380 4.650 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000001130712 555644198 /nfs/dbraw/zinc/64/41/98/555644198.db2.gz VWQXRTXWFPMFHU-UHFFFAOYSA-N 0 0 426.885 4.986 50 0 aggregator IJAARN Cc1c(NC(=O)CSCc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000001131199 555644837 /nfs/dbraw/zinc/64/48/37/555644837.db2.gz MNPXZUQQVYPELB-UHFFFAOYSA-N 0 0 436.364 4.663 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccccc2Br)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001131571 555644844 /nfs/dbraw/zinc/64/48/44/555644844.db2.gz OZNWGPNUZYVYLU-UHFFFAOYSA-N 0 0 442.309 4.760 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000001137623 555647833 /nfs/dbraw/zinc/64/78/33/555647833.db2.gz UVJDTGIAOMEVNG-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Br)cc1 ZINC000001142306 555650737 /nfs/dbraw/zinc/65/07/37/555650737.db2.gz OBQXDMYRRITHCK-UHFFFAOYSA-N 0 0 435.322 4.597 50 0 IJAARN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000001144393 555652429 /nfs/dbraw/zinc/65/24/29/555652429.db2.gz LHCZLQJKAFZPMG-UHFFFAOYSA-N 0 0 438.334 4.850 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl ZINC000001151919 555656937 /nfs/dbraw/zinc/65/69/37/555656937.db2.gz JUFUTTLUTRFMIT-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc1 ZINC000009716108 555658644 /nfs/dbraw/zinc/65/86/44/555658644.db2.gz OAEMPDJGDSCADK-UHFFFAOYSA-N 0 0 438.553 4.563 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000001171851 555667372 /nfs/dbraw/zinc/66/73/72/555667372.db2.gz LIRRUKBJDBUDFN-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000001173734 555668457 /nfs/dbraw/zinc/66/84/57/555668457.db2.gz JAMIQNWEUXYTCK-UHFFFAOYSA-N 0 0 441.350 4.836 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000001175107 555669242 /nfs/dbraw/zinc/66/92/42/555669242.db2.gz WSOTVNWAOMSYQS-SFHVURJKSA-N 0 0 437.499 4.849 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)Cc2ccccc2)cc1 ZINC000001177173 555670214 /nfs/dbraw/zinc/67/02/14/555670214.db2.gz UOFYEIYWHCJYOY-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O ZINC000001182859 555672814 /nfs/dbraw/zinc/67/28/14/555672814.db2.gz QYDJUHPPBJNXNM-UHFFFAOYSA-N 0 0 437.359 4.588 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc(Br)c2)NC(=S)N1 ZINC000001190268 555675564 /nfs/dbraw/zinc/67/55/64/555675564.db2.gz CFQHKQPWJVMXDU-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001193809 555676162 /nfs/dbraw/zinc/67/61/62/555676162.db2.gz TZFUXERZCPFPRM-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N[C@@H](C)c4ccccc4)cc3n2)cc1 ZINC000001216661 555684282 /nfs/dbraw/zinc/68/42/82/555684282.db2.gz XAONZIIQKVFHQN-AWEZNQCLSA-N 0 0 440.425 4.915 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(I)cc1Cl ZINC000001218363 555684854 /nfs/dbraw/zinc/68/48/54/555684854.db2.gz QNJFPBOLSYWCDN-UHFFFAOYSA-N 0 0 436.076 4.924 50 0 IJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000001218914 555685136 /nfs/dbraw/zinc/68/51/36/555685136.db2.gz YIBUUHCRQYRWMB-UHFFFAOYSA-N 0 0 426.476 4.694 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000001296217 555689400 /nfs/dbraw/zinc/68/94/00/555689400.db2.gz JLBQVSXNDMTQMX-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001410939 555694386 /nfs/dbraw/zinc/69/43/86/555694386.db2.gz RXIHBSBECPWIHS-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000001848715 555720468 /nfs/dbraw/zinc/72/04/68/555720468.db2.gz ZSVAXBOFARLVFK-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 ZINC000002050958 555729269 /nfs/dbraw/zinc/72/92/69/555729269.db2.gz OXMHBQOQSUUUDH-UHFFFAOYSA-N 0 0 428.492 4.787 50 0 IJAARN CC(C)(C)c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000002054898 555730041 /nfs/dbraw/zinc/73/00/41/555730041.db2.gz ITEXIJUBLFWSMM-BOPFTXTBSA-N 0 0 431.273 4.933 50 0 IJAARN CCCOc1c(Br)cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC ZINC000002081672 555738109 /nfs/dbraw/zinc/73/81/09/555738109.db2.gz SJKCQNQPZWNWCQ-CXUHLZMHSA-N 0 0 434.261 4.730 50 0 IJAARN CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000002146229 555749109 /nfs/dbraw/zinc/74/91/09/555749109.db2.gz WCVWHIXWIDXLCK-UHFFFAOYSA-N 0 0 440.019 4.572 50 0 IJAARN O=C(Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1 ZINC000002150366 555749659 /nfs/dbraw/zinc/74/96/59/555749659.db2.gz RAEZCHZTSTVIIU-UHFFFAOYSA-N 0 0 434.727 4.914 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 ZINC000002203786 555757516 /nfs/dbraw/zinc/75/75/16/555757516.db2.gz BOQRQNBFMNQZCW-UHFFFAOYSA-N 0 0 444.564 4.634 50 0 IJAARN COC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 ZINC000002221803 555759555 /nfs/dbraw/zinc/75/95/55/555759555.db2.gz NNDXTCPDGUNIOL-UHFFFAOYSA-N 0 0 444.969 4.803 50 0 IJAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2)c1 ZINC000002226034 555759894 /nfs/dbraw/zinc/75/98/94/555759894.db2.gz MAUSIMLNQIROGE-UHFFFAOYSA-N 0 0 425.488 4.777 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000002245535 555761906 /nfs/dbraw/zinc/76/19/06/555761906.db2.gz OCPUAZLADVXLBN-UHFFFAOYSA-N 0 0 433.537 4.836 50 0 IJAARN COC[C@@H](C)OC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 ZINC000002284282 555765516 /nfs/dbraw/zinc/76/55/16/555765516.db2.gz XMVDBHBZYZHMFM-LLVKDONJSA-N 0 0 445.306 4.654 50 0 IJAARN CCC(=O)Nc1cccc(Nc2nc(Cl)nc(Nc3cccc(NC(=O)CC)c3)n2)c1 ZINC000002295392 555766269 /nfs/dbraw/zinc/76/62/69/555766269.db2.gz FFYCMTYPQQIWDY-UHFFFAOYSA-N 0 0 439.907 4.709 50 0 IJAARN O=C(Nc1nnc(-c2ccccc2I)s1)Nc1ccc(F)cc1 ZINC000002311677 555767650 /nfs/dbraw/zinc/76/76/50/555767650.db2.gz HAXOQKSUTIXIBD-UHFFFAOYSA-N 0 0 440.241 4.593 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)c1 ZINC000002348610 555770861 /nfs/dbraw/zinc/77/08/61/555770861.db2.gz LLCWJOOWCBYMPY-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN C[C@@H](c1ccccc1)n1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 ZINC000002383900 555774303 /nfs/dbraw/zinc/77/43/03/555774303.db2.gz MGZBOPZCRWEPKC-HNNXBMFYSA-N 0 0 427.533 4.768 50 0 IJAARN CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1 ZINC000002412825 555777149 /nfs/dbraw/zinc/77/71/49/555777149.db2.gz OUXINPKKHJXQRH-MWTRTKDXSA-N 0 0 427.504 4.968 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 ZINC000002430909 555778285 /nfs/dbraw/zinc/77/82/85/555778285.db2.gz BJKVJZVJBNASKC-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002437841 555778980 /nfs/dbraw/zinc/77/89/80/555778980.db2.gz SHZOLZNKAMAOHS-UHFFFAOYSA-N 0 0 427.382 4.988 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 ZINC000002447467 555780586 /nfs/dbraw/zinc/78/05/86/555780586.db2.gz VOVNXIFPJLQEAC-UHFFFAOYSA-N 0 0 434.521 4.965 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000002447738 555780901 /nfs/dbraw/zinc/78/09/01/555780901.db2.gz IDAMLVAXQLTCRW-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2Cc2ccco2)cc1 ZINC000002450312 555781395 /nfs/dbraw/zinc/78/13/95/555781395.db2.gz CLGLSUXLOCNFKH-UHFFFAOYSA-N 0 0 447.564 4.692 50 0 IJAARN CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000002497221 555784572 /nfs/dbraw/zinc/78/45/72/555784572.db2.gz XKLDKAMMUWCFJZ-UHFFFAOYSA-N 0 0 443.521 4.585 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002597897 555789756 /nfs/dbraw/zinc/78/97/56/555789756.db2.gz RKYDRKIAAHYJDA-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCc1ccccn1 ZINC000034672366 555793489 /nfs/dbraw/zinc/79/34/89/555793489.db2.gz LTZZXPKJUREMOK-UHFFFAOYSA-N 0 0 430.483 4.756 50 0 IJAARN Cc1cccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(C)c(Cl)c4)co3)CC2)c1 ZINC000034678318 555797057 /nfs/dbraw/zinc/79/70/57/555797057.db2.gz SHUASCITWWDZGF-UHFFFAOYSA-N 0 0 438.959 4.515 50 0 IJAARN COCCNC(=O)c1c(NC(=O)c2oc3cc(C)c(C)cc3c2C)sc2c1CCCC2 ZINC000002705552 555800729 /nfs/dbraw/zinc/80/07/29/555800729.db2.gz KWFAZFCTTAXRPZ-UHFFFAOYSA-N 0 0 440.565 4.927 50 0 IJAARN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C(=O)c1ccccc1 ZINC000034687204 555803135 /nfs/dbraw/zinc/80/31/35/555803135.db2.gz IEZDUTGJJZRBFY-JOCHJYFZSA-N 0 0 434.502 4.705 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002728860 555803416 /nfs/dbraw/zinc/80/34/16/555803416.db2.gz CLAVOIQOSRCRLG-UHFFFAOYSA-N 0 0 434.561 4.632 50 0 IJAARN CC(C)(C)c1ccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccccc2)cc1 ZINC000034693452 555806896 /nfs/dbraw/zinc/80/68/96/555806896.db2.gz RJINZCYKPVUYCK-UHFFFAOYSA-N 0 0 442.563 4.810 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)cc1 ZINC000002742508 555807724 /nfs/dbraw/zinc/80/77/24/555807724.db2.gz XGWNUVNDZHUTIC-UHFFFAOYSA-N 0 0 445.548 4.619 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCc2ccccc2C1 ZINC000002780166 555819116 /nfs/dbraw/zinc/81/91/16/555819116.db2.gz PUBABPVZWKEUCJ-UHFFFAOYSA-N 0 0 447.457 4.979 50 0 IJAARN CCc1ccc(N(C2CCN(Cc3cccnc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683970 555819486 /nfs/dbraw/zinc/81/94/86/555819486.db2.gz OKAOSGYZQGHZBN-UHFFFAOYSA-N 0 0 435.593 4.504 50 0 IJAARN CCOc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000002784938 555820673 /nfs/dbraw/zinc/82/06/73/555820673.db2.gz QQOFQRHBJVKYEZ-MHWRWJLKSA-N 0 0 435.705 4.594 50 0 IJAARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(OCc2ccccc2)cc1 ZINC000002796855 555822845 /nfs/dbraw/zinc/82/28/45/555822845.db2.gz YWCNHTLZAHRLLT-UHFFFAOYSA-N 0 0 449.547 4.967 50 0 IJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711907 555825162 /nfs/dbraw/zinc/82/51/62/555825162.db2.gz HBDLCPUJMYRMGJ-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713569 555827034 /nfs/dbraw/zinc/82/70/34/555827034.db2.gz AMGXYPNKZWRLMY-INIZCTEOSA-N 0 0 448.466 4.715 50 0 IJAARN CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)c1ccccc1 ZINC000002818860 555829443 /nfs/dbraw/zinc/82/94/43/555829443.db2.gz OHMGHQGVVQXVQZ-NRFANRHFSA-N 0 0 444.940 4.775 50 0 IJAARN O=c1/c(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2nc(-c3cccs3)nn12 ZINC000002827562 555831483 /nfs/dbraw/zinc/83/14/83/555831483.db2.gz WAXIESRATGXSOU-SXGWCWSVSA-N 0 0 446.340 4.994 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000002846618 555837996 /nfs/dbraw/zinc/83/79/96/555837996.db2.gz PRQTZBSZZOKDNY-CYBMUJFWSA-N 0 0 434.924 4.961 50 0 IJAARN CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)c(OCC)c1 ZINC000002847748 555838044 /nfs/dbraw/zinc/83/80/44/555838044.db2.gz FNFOSGGTKDXURE-BOPFTXTBSA-N 0 0 447.354 4.509 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc3c(c2)CCC3)c(C(=O)OC)c1C ZINC000002855834 555841470 /nfs/dbraw/zinc/84/14/70/555841470.db2.gz HFQBVSYKOAWRJE-UHFFFAOYSA-N 0 0 445.610 4.623 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002865814 555847111 /nfs/dbraw/zinc/84/71/11/555847111.db2.gz ZBCYCGJUSWDFQW-UHFFFAOYSA-N 0 0 446.907 4.870 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccs1 ZINC000002871544 555850042 /nfs/dbraw/zinc/85/00/42/555850042.db2.gz JILXPKBVPKWENG-OAQYLSRUSA-N 0 0 442.334 4.518 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCSC2CCCCC2)ccc1C ZINC000002884955 555857496 /nfs/dbraw/zinc/85/74/96/555857496.db2.gz FVMYAXSJHMYMIM-UHFFFAOYSA-N 0 0 446.638 4.900 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2O)c(C)c1 ZINC000002884830 555857570 /nfs/dbraw/zinc/85/75/70/555857570.db2.gz RJYNZQAAPCKUTH-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN O=C(CCSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccccc1 ZINC000002890362 555859597 /nfs/dbraw/zinc/85/95/97/555859597.db2.gz UJIYPMDYXNVIKY-UHFFFAOYSA-N 0 0 430.533 4.967 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1)N1CCSCC1 ZINC000034723007 555860947 /nfs/dbraw/zinc/86/09/47/555860947.db2.gz HPMGVFOYMTVONB-UHFFFAOYSA-N 0 0 432.517 4.856 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccccc2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716531 555865813 /nfs/dbraw/zinc/86/58/13/555865813.db2.gz BJGIRDOYKDYFEI-GGAORHGYSA-N 0 0 425.548 4.713 50 0 IJAARN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 ZINC000002971458 555869366 /nfs/dbraw/zinc/86/93/66/555869366.db2.gz GDHRVXRQAATRMZ-UHFFFAOYSA-N 0 0 435.578 4.951 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002979767 555871521 /nfs/dbraw/zinc/87/15/21/555871521.db2.gz NRYHRXPRKGQPMD-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1Br ZINC000002982506 555872785 /nfs/dbraw/zinc/87/27/85/555872785.db2.gz LYCCYLUZIWOFFL-UHFFFAOYSA-N 0 0 441.350 4.836 50 0 IJAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000002988979 555874517 /nfs/dbraw/zinc/87/45/17/555874517.db2.gz JYVGCJPIZXPWBX-HNNXBMFYSA-N 0 0 430.526 4.746 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000003012293 555879386 /nfs/dbraw/zinc/87/93/86/555879386.db2.gz NACIKNXBWVJMMQ-BEFAXECRSA-N 0 0 444.413 4.833 50 0 IJAARN CC(C)CC(=O)N[C@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000003034924 555882357 /nfs/dbraw/zinc/88/23/57/555882357.db2.gz VOZVVBGLMRGGNA-LBPRGKRZSA-N 0 0 449.547 4.562 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000003103333 555886995 /nfs/dbraw/zinc/88/69/95/555886995.db2.gz OJNAVZCWIDOPQT-QGZVFWFLSA-N 0 0 436.213 4.559 50 0 IJAARN Cc1ccccc1C(=O)N[C@@H](NC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000003130737 555890202 /nfs/dbraw/zinc/89/02/02/555890202.db2.gz VBAJWPJFFHMTMU-HNNXBMFYSA-N 0 0 435.138 4.896 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)Cc1ccccc1)CC2 ZINC000034758206 555902888 /nfs/dbraw/zinc/90/28/88/555902888.db2.gz KBIQHAIDTBTMDI-UHFFFAOYSA-N 0 0 442.563 4.695 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)c(C)c3)c2C1 ZINC000034758471 555903155 /nfs/dbraw/zinc/90/31/55/555903155.db2.gz ACSXCVFXPPKCEU-UHFFFAOYSA-N 0 0 446.526 4.824 50 0 IJAARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCCN(C(=O)C3CCCC3)CC2)n1 ZINC000034810393 555908428 /nfs/dbraw/zinc/90/84/28/555908428.db2.gz NUXXKAAKYKWTDG-UHFFFAOYSA-N 0 0 447.583 4.856 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)c2ccccc2)CC1 ZINC000034813025 555909706 /nfs/dbraw/zinc/90/97/06/555909706.db2.gz SNMRRJYJCGLCGZ-UHFFFAOYSA-N 0 0 427.504 4.646 50 0 IJAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)NCCc3ccccc3)cc21 ZINC000034836072 555914270 /nfs/dbraw/zinc/91/42/70/555914270.db2.gz NQBJAKRWWDOICJ-UHFFFAOYSA-N 0 0 440.543 4.816 50 0 IJAARN CCc1ccc(C(=O)N2CCN(Cc3noc(-c4ccc(Cl)cc4Cl)n3)CC2)cc1 ZINC000034904682 555919303 /nfs/dbraw/zinc/91/93/03/555919303.db2.gz BSUDIPSPJOHVQX-UHFFFAOYSA-N 0 0 445.350 4.564 50 0 IJAARN COc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)cc(Br)c1OC ZINC000034913858 555929893 /nfs/dbraw/zinc/92/98/93/555929893.db2.gz DMFNFAMMDAVMRL-LFYBBSHMSA-N 0 0 439.103 4.722 50 0 IJAARN CCCCC(=O)N1CCN(C[C@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000034915476 555930333 /nfs/dbraw/zinc/93/03/33/555930333.db2.gz OGYSXHSDDUYTOL-DEOSSOPVSA-N 0 0 445.003 4.941 50 0 IJAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1 ZINC000034924502 555933233 /nfs/dbraw/zinc/93/32/33/555933233.db2.gz SXERFWBBJSOUJE-UHFFFAOYSA-N 0 0 438.593 4.705 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000003636297 555942397 /nfs/dbraw/zinc/94/23/97/555942397.db2.gz LBOYBDLADORTFZ-RUZDIDTESA-N 0 0 432.545 4.764 50 0 biogenic IJAARN CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003872931 555949902 /nfs/dbraw/zinc/94/99/02/555949902.db2.gz YOSHYTLCDANDAN-UHFFFAOYSA-N 0 0 428.540 4.777 50 0 fda IJAARN C[C@@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000004019100 555953184 /nfs/dbraw/zinc/95/31/84/555953184.db2.gz QWMOGBCJEZXUKA-LLSQANQASA-N 0 0 448.420 4.988 50 0 IJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1 ZINC000004174053 555972634 /nfs/dbraw/zinc/97/26/34/555972634.db2.gz GBSMDPMWDHZFPJ-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1)C(F)(F)F ZINC000004208063 555976347 /nfs/dbraw/zinc/97/63/47/555976347.db2.gz JSAUVDMPCCUOHO-SFHVURJKSA-N 0 0 430.810 4.605 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CCCOc2ccccc2C)c(C(=O)OCC)c1C ZINC000004290135 555983130 /nfs/dbraw/zinc/98/31/30/555983130.db2.gz HAXRWHKCAXLGMC-UHFFFAOYSA-N 0 0 433.526 4.516 50 0 IJAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCCCCC2)CCC3)c(C)c1 ZINC000004845117 556014823 /nfs/dbraw/zinc/01/48/23/556014823.db2.gz FUAGTXMMQJHJRA-UHFFFAOYSA-N 0 0 425.598 4.920 50 0 IJAARN C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000010562780 556067900 /nfs/dbraw/zinc/06/79/00/556067900.db2.gz JLUANBQGBKJLGW-LBPRGKRZSA-N 0 0 435.263 4.744 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 ZINC000006177091 556079530 /nfs/dbraw/zinc/07/95/30/556079530.db2.gz NZMNJDGJXXUCBZ-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN COC(=O)c1c2c(sc1NC(=S)Nc1ccc(Br)cn1)C[C@H](C)CC2 ZINC000006427665 556087287 /nfs/dbraw/zinc/08/72/87/556087287.db2.gz DCGDGXBYJKBWMP-SECBINFHSA-N 0 0 440.388 4.626 50 0 IJAARN CCOC(=O)CC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000002449747 556100098 /nfs/dbraw/zinc/10/00/98/556100098.db2.gz XCTMVCNIJVWVDH-UHFFFAOYSA-N 0 0 425.554 4.617 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(OC)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000002687721 556118989 /nfs/dbraw/zinc/11/89/89/556118989.db2.gz FJGUSGHFFRXVCX-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(OC)c4)cc2-3)OCO5)cc1 ZINC000002688471 556119320 /nfs/dbraw/zinc/11/93/20/556119320.db2.gz NTDYDEUFATWVNV-UHFFFAOYSA-N 0 0 439.471 4.997 50 0 IJAARN CN(C)c1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002696711 556121479 /nfs/dbraw/zinc/12/14/79/556121479.db2.gz PFSIZCQUMSZURE-UHFFFAOYSA-N 0 0 441.734 4.656 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002703972 556123049 /nfs/dbraw/zinc/12/30/49/556123049.db2.gz IJKCAAFRMMKYGM-QHCPKHFHSA-N 0 0 427.456 4.561 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 ZINC000002711709 556125355 /nfs/dbraw/zinc/12/53/55/556125355.db2.gz OHKQLFHEWNILHX-UHFFFAOYSA-N 0 0 435.785 4.941 50 0 IJAARN COc1ccccc1-n1c(=O)c2c(nc1SCc1c(F)cccc1Cl)CCS2 ZINC000002719850 556126240 /nfs/dbraw/zinc/12/62/40/556126240.db2.gz AFXIZNAHUDWQBB-UHFFFAOYSA-N 0 0 434.945 4.974 50 0 IJAARN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)c1ccc(Cl)cc1 ZINC000002719978 556126542 /nfs/dbraw/zinc/12/65/42/556126542.db2.gz CAFBVZPTJBZDMV-UHFFFAOYSA-N 0 0 432.929 4.648 50 0 IJAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1 ZINC000002720851 556127371 /nfs/dbraw/zinc/12/73/71/556127371.db2.gz OYTDKQUVHFUGBY-UHFFFAOYSA-N 0 0 444.491 4.737 50 0 IJAARN CCOC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000002720954 556127416 /nfs/dbraw/zinc/12/74/16/556127416.db2.gz GRCUSBGMVRSRES-UHFFFAOYSA-N 0 0 447.438 4.541 50 0 IJAARN Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc54)cccc3C2=O)c1 ZINC000002716541 556131060 /nfs/dbraw/zinc/13/10/60/556131060.db2.gz RKDMRRYYCOSMEG-UHFFFAOYSA-N 0 0 440.543 4.552 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3c(c2=O)SCC3)cc1 ZINC000002719750 556131956 /nfs/dbraw/zinc/13/19/56/556131956.db2.gz BPHBDEAGCWGNMI-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002789854 556139366 /nfs/dbraw/zinc/13/93/66/556139366.db2.gz JBFTXGFYCWNIFQ-UHFFFAOYSA-N 0 0 429.345 4.709 50 0 IJAARN O=C(CSc1nccc(-c2ccc(Br)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000002805483 556143597 /nfs/dbraw/zinc/14/35/97/556143597.db2.gz MKNKTZBAQWXCLE-UHFFFAOYSA-N 0 0 443.322 4.652 50 0 IJAARN CCOc1cc(NC(=O)CSc2nccc(-c3cccs3)n2)ccc1OC(F)F ZINC000002792239 556144411 /nfs/dbraw/zinc/14/44/11/556144411.db2.gz CDVFZEBVIIXHED-UHFFFAOYSA-N 0 0 437.493 4.936 50 0 IJAARN O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000002795356 556145505 /nfs/dbraw/zinc/14/55/05/556145505.db2.gz FDEYTKMTRPRYGL-UHFFFAOYSA-N 0 0 444.207 4.632 50 0 IJAARN O=c1c2sccc2nc(SCc2ccc(F)cc2)n1Cc1ccc2c(c1)OCO2 ZINC000002909155 556149800 /nfs/dbraw/zinc/14/98/00/556149800.db2.gz VXOLBBYHCLDRTN-UHFFFAOYSA-N 0 0 426.494 4.666 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008385067 556160888 /nfs/dbraw/zinc/16/08/88/556160888.db2.gz HKOHFUAAVWOGBW-LJQANCHMSA-N 0 0 445.968 4.841 50 0 IJAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 ZINC000008387312 556162446 /nfs/dbraw/zinc/16/24/46/556162446.db2.gz LTOUMTJOXADPIQ-PXNMLYILSA-N 0 0 428.282 4.820 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)cc1C ZINC000008396834 556163907 /nfs/dbraw/zinc/16/39/07/556163907.db2.gz XBRGURUAMZJUSD-KRWDZBQOSA-N 0 0 427.456 4.532 50 0 IJAARN Cc1cc(C2(c3ccc(O)c(C)c3)c3cc(Br)ccc3N(C)C2=O)ccc1O ZINC000008431624 556171108 /nfs/dbraw/zinc/17/11/08/556171108.db2.gz RZBNTWCMPCLIHW-UHFFFAOYSA-N 0 0 438.321 4.788 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)c1 ZINC000008444425 556178990 /nfs/dbraw/zinc/17/89/90/556178990.db2.gz JFAOHFRJMNEERR-FASAQXTFSA-N 0 0 430.430 4.849 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000008444553 556179043 /nfs/dbraw/zinc/17/90/43/556179043.db2.gz NGFZCYZIFJLMFQ-XNJJOIOASA-N 0 0 436.459 4.911 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc43)C2=O)cc1 ZINC000008451766 556182499 /nfs/dbraw/zinc/18/24/99/556182499.db2.gz HFMDFJIIYCJLTP-UDWIEESQSA-N 0 0 435.505 4.550 50 0 IJAARN CCCOc1cccc(C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OCC)c1 ZINC000008456209 556185870 /nfs/dbraw/zinc/18/58/70/556185870.db2.gz CBZLXDCXFXLTEN-UHFFFAOYSA-N 0 0 446.569 4.756 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 ZINC000008591971 556189268 /nfs/dbraw/zinc/18/92/68/556189268.db2.gz FYLZIPILFJRCFY-QFIPXVFZSA-N 0 0 431.492 4.517 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccs2)cc1 ZINC000008591797 556189323 /nfs/dbraw/zinc/18/93/23/556189323.db2.gz DXQYNYYIBOBYKW-QFIPXVFZSA-N 0 0 447.560 4.985 50 0 IJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000008599634 556190645 /nfs/dbraw/zinc/19/06/45/556190645.db2.gz KXUJYDHTRFJNGW-QHCPKHFHSA-N 0 0 447.535 4.752 50 0 IJAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)cc2C1=O ZINC000008721819 556203014 /nfs/dbraw/zinc/20/30/14/556203014.db2.gz VXJJTOPFQHGZRN-UHFFFAOYSA-N 0 0 444.487 4.672 50 0 IJAARN CCOc1ccc(NC(=O)c2c(N)n(-c3ccc(O)cc3)c3nc4ccccc4nc32)cc1 ZINC000008739367 556205797 /nfs/dbraw/zinc/20/57/97/556205797.db2.gz VOGXIFBJCUHUCH-UHFFFAOYSA-N 0 0 439.475 4.513 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000008915389 556232453 /nfs/dbraw/zinc/23/24/53/556232453.db2.gz YOEFSLPNSJHXFF-JOCHJYFZSA-N 0 0 449.434 4.678 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009060748 556244266 /nfs/dbraw/zinc/24/42/66/556244266.db2.gz KRUIMSQFHSBQLA-UHFFFAOYSA-N 0 0 428.275 4.892 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000009196877 556254706 /nfs/dbraw/zinc/25/47/06/556254706.db2.gz NGHOSDWZIAZJMB-UHFFFAOYSA-N 0 0 429.520 4.772 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197073 556255141 /nfs/dbraw/zinc/25/51/41/556255141.db2.gz ICDSDOBZBRGIJJ-PMACEKPBSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Br ZINC000009197341 556255604 /nfs/dbraw/zinc/25/56/04/556255604.db2.gz GSYLXOCVINXNDD-UHFFFAOYSA-N 0 0 435.749 4.902 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)c(C)c1 ZINC000009202548 556257639 /nfs/dbraw/zinc/25/76/39/556257639.db2.gz DFZGFZGPQSOTFZ-QGZVFWFLSA-N 0 0 427.456 4.532 50 0 IJAARN CCSc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009224813 556258578 /nfs/dbraw/zinc/25/85/78/556258578.db2.gz KFDCFHQDABXNLW-HNNXBMFYSA-N 0 0 438.578 4.731 50 0 IJAARN COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)CC2=O)cc1 ZINC000009226946 556260673 /nfs/dbraw/zinc/26/06/73/556260673.db2.gz WAAHWBBIEMTZNK-OAHLLOKOSA-N 0 0 441.940 4.772 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccccc3C)c2c1 ZINC000009228317 556261037 /nfs/dbraw/zinc/26/10/37/556261037.db2.gz SZHFYUHYBDHPGW-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239574 556265782 /nfs/dbraw/zinc/26/57/82/556265782.db2.gz GPTOUUGGXLORFC-ROUUACIJSA-N 0 0 447.486 4.647 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239583 556266048 /nfs/dbraw/zinc/26/60/48/556266048.db2.gz NKPFMPWDXKTYJX-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239579 556266083 /nfs/dbraw/zinc/26/60/83/556266083.db2.gz DANFXJWKBGTTAZ-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000009239602 556266128 /nfs/dbraw/zinc/26/61/28/556266128.db2.gz GURQFIFTQAWUAU-VXKWHMMOSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239615 556266369 /nfs/dbraw/zinc/26/63/69/556266369.db2.gz OBTIDEVKRCBFPP-FCHUYYIVSA-N 0 0 435.597 4.808 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)n2C)c1 ZINC000009305625 556276938 /nfs/dbraw/zinc/27/69/38/556276938.db2.gz OGLMDXZCNNPFLY-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(OC)c1 ZINC000013690244 556279279 /nfs/dbraw/zinc/27/92/79/556279279.db2.gz KQJPONIMXWXOAL-UHFFFAOYSA-N 0 0 426.538 4.609 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2c1 ZINC000009319910 556280798 /nfs/dbraw/zinc/28/07/98/556280798.db2.gz AWCMXSDZFMTPFK-UHFFFAOYSA-N 0 0 427.504 4.569 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(OC)cc1 ZINC000013691857 556281445 /nfs/dbraw/zinc/28/14/45/556281445.db2.gz CJCZKYKUKXGWKG-UHFFFAOYSA-N 0 0 426.538 4.609 50 0 IJAARN CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009329016 556282422 /nfs/dbraw/zinc/28/24/22/556282422.db2.gz QEXWUJJEVANQTF-UKRRQHHQSA-N 0 0 431.587 4.631 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(OC)cc1 ZINC000013693613 556282916 /nfs/dbraw/zinc/28/29/16/556282916.db2.gz HOSCWOOTFRTJJQ-UHFFFAOYSA-N 0 0 440.565 4.917 50 0 IJAARN CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000009355168 556284640 /nfs/dbraw/zinc/28/46/40/556284640.db2.gz RGBJBAGGHANZKX-UHFFFAOYSA-N 0 0 446.326 4.809 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000009356395 556285002 /nfs/dbraw/zinc/28/50/02/556285002.db2.gz ODLGHZXXSITSBU-JOCHJYFZSA-N 0 0 444.922 4.849 50 0 IJAARN O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009371654 556286497 /nfs/dbraw/zinc/28/64/97/556286497.db2.gz PAKIMQCYJXEJKK-OAQYLSRUSA-N 0 0 439.870 4.959 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000009495654 556294876 /nfs/dbraw/zinc/29/48/76/556294876.db2.gz WDMJAYVXRKFFFM-IBGZPJMESA-N 0 0 438.329 4.585 50 0 IJAARN COc1cccc(-c2nc(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)cs2)c1 ZINC000013734031 556297086 /nfs/dbraw/zinc/29/70/86/556297086.db2.gz CWXGSEHVBJFXGD-UHFFFAOYSA-N 0 0 425.941 4.855 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCC(=O)Nc3cc(C)ccn3)cc2O)c1Oc1ccccc1 ZINC000013736113 556297754 /nfs/dbraw/zinc/29/77/54/556297754.db2.gz QMQOZRQFKZUKSX-UHFFFAOYSA-N 0 0 430.464 4.604 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009581426 556300689 /nfs/dbraw/zinc/30/06/89/556300689.db2.gz JEOXVWTUIRCGEZ-JOCHJYFZSA-N 0 0 426.921 4.947 50 0 IJAARN CCCNC(=O)[C@@H]1CN(C(=O)c2sc(-c3ccc(CC)cc3)nc2C)c2ccccc2O1 ZINC000032740706 556301800 /nfs/dbraw/zinc/30/18/00/556301800.db2.gz BCPKRPVJFHTHHQ-NRFANRHFSA-N 0 0 449.576 4.615 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000013759449 556301881 /nfs/dbraw/zinc/30/18/81/556301881.db2.gz LSSSCLSZTSZTQM-SMIHKQSGSA-N 0 0 441.462 4.667 50 0 IJAARN CCOc1ccc(-n2c(=O)c3cnn(-c4ccc(Cl)cc4)c3nc2-c2ccco2)cc1 ZINC000009678206 556305830 /nfs/dbraw/zinc/30/58/30/556305830.db2.gz NECLTCCXDBVFRJ-UHFFFAOYSA-N 0 0 432.867 4.884 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(F)cc1 ZINC000004467787 556309824 /nfs/dbraw/zinc/30/98/24/556309824.db2.gz IIGGFWVSRHGIOL-FVDSYPCUSA-N 0 0 447.466 4.569 50 0 IJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)c1 ZINC000009829942 556310056 /nfs/dbraw/zinc/31/00/56/556310056.db2.gz UEZLWEAEPVRVNX-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000013803629 556310917 /nfs/dbraw/zinc/31/09/17/556310917.db2.gz SDEJFGHMYNVTQJ-UHFFFAOYSA-N 0 0 426.448 4.595 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000013804997 556311153 /nfs/dbraw/zinc/31/11/53/556311153.db2.gz UPRSMQUSRLYWHC-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000013810767 556312254 /nfs/dbraw/zinc/31/22/54/556312254.db2.gz OPQARVUTIOVVNJ-SDHSZQHLSA-N 0 0 442.515 4.753 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CCN(C(=O)C2CC2)CC1 ZINC000032750605 556313139 /nfs/dbraw/zinc/31/31/39/556313139.db2.gz JSCLZSJWAYPBQP-NRFANRHFSA-N 0 0 449.982 4.718 50 0 IJAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)o2)cc1 ZINC000032752772 556313840 /nfs/dbraw/zinc/31/38/40/556313840.db2.gz WFPQFUKRMBGKSE-CQSZACIVSA-N 0 0 430.493 4.733 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cccc(C)c2C)c2ccccc23)cc1 ZINC000009908866 556316386 /nfs/dbraw/zinc/31/63/86/556316386.db2.gz AZPGBLXNYXOIJK-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC2CC2)C(=O)C2CCC2)s1 ZINC000004461890 556316560 /nfs/dbraw/zinc/31/65/60/556316560.db2.gz SAPLIWPYKROVBN-UHFFFAOYSA-N 0 0 428.573 4.763 50 0 IJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)cc1Br ZINC000032747985 556316564 /nfs/dbraw/zinc/31/65/64/556316564.db2.gz RXFYKQRBFXGHFB-SFHVURJKSA-N 0 0 425.729 4.809 50 0 IJAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000013944229 556341391 /nfs/dbraw/zinc/34/13/91/556341391.db2.gz XDDNTRUXKWFXRN-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1C ZINC000013944468 556341653 /nfs/dbraw/zinc/34/16/53/556341653.db2.gz APSHWVDJGSNBTF-IBGZPJMESA-N 0 0 434.565 4.637 50 0 IJAARN CCn1c(SCCOc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000013944978 556342332 /nfs/dbraw/zinc/34/23/32/556342332.db2.gz NAOMSYJGNHFDEO-HNNXBMFYSA-N 0 0 430.961 4.614 50 0 IJAARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000013955085 556344588 /nfs/dbraw/zinc/34/45/88/556344588.db2.gz URQZKTXVEBWIMO-UHFFFAOYSA-N 0 0 445.431 4.638 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCc1cccs1 ZINC000013955505 556344872 /nfs/dbraw/zinc/34/48/72/556344872.db2.gz XAUHBQNAUFRPMQ-XMMPIXPASA-N 0 0 429.545 4.790 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000011664861 556345692 /nfs/dbraw/zinc/34/56/92/556345692.db2.gz DQVRIZLEEKWATJ-MHZLTWQESA-N 0 0 435.531 4.785 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@@]1(C(=O)N(c3ccccc3)N=C1C)[C@H]1CCCCN21 ZINC000014017508 556356029 /nfs/dbraw/zinc/35/60/29/556356029.db2.gz AYAFRAWJLWWCNY-BVAGGSTKSA-N 0 0 425.536 4.505 50 0 IJAARN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)N1CCC(Sc2ccc(F)cc2)CC1 ZINC000011815299 556358413 /nfs/dbraw/zinc/35/84/13/556358413.db2.gz BOQASBAIEMRMTJ-QHCPKHFHSA-N 0 0 446.613 4.642 50 0 IJAARN COc1cccc(CCNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)c1OC ZINC000011815356 556358438 /nfs/dbraw/zinc/35/84/38/556358438.db2.gz DWSWTXOGRKOGPI-UHFFFAOYSA-N 0 0 430.504 4.603 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3N3CCOCC3)o2)cc1 ZINC000014048996 556358532 /nfs/dbraw/zinc/35/85/32/556358532.db2.gz NOFFPHPNEZSLRL-UHFFFAOYSA-N 0 0 425.916 4.711 50 0 IJAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NC(C)(C)C ZINC000004503396 556358916 /nfs/dbraw/zinc/35/89/16/556358916.db2.gz MIZBLRHBVDSGPQ-UHFFFAOYSA-N 0 0 427.589 4.770 50 0 IJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc12 ZINC000014066755 556359268 /nfs/dbraw/zinc/35/92/68/556359268.db2.gz TVWRNPIILNONQQ-GOSISDBHSA-N 0 0 425.554 4.811 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000014074917 556361516 /nfs/dbraw/zinc/36/15/16/556361516.db2.gz DAYHTPGXEMNEIT-UHFFFAOYSA-N 0 0 449.576 4.848 50 0 IJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000032796626 556362091 /nfs/dbraw/zinc/36/20/91/556362091.db2.gz AEOGSUXOJGDGJV-AWEZNQCLSA-N 0 0 428.330 4.785 50 0 IJAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000014076998 556362122 /nfs/dbraw/zinc/36/21/22/556362122.db2.gz AHFAAZQVHBYNOD-NRFANRHFSA-N 0 0 442.629 4.621 50 0 IJAARN Cn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000014077611 556362391 /nfs/dbraw/zinc/36/23/91/556362391.db2.gz YSTVRJRVJGEMKP-LJQANCHMSA-N 0 0 426.973 4.981 50 0 IJAARN COc1ccccc1N(C(C)=O)c1nc(CSc2n[nH]c(-c3cccs3)n2)cs1 ZINC000014077446 556362396 /nfs/dbraw/zinc/36/23/96/556362396.db2.gz JHVZGGPEXIJEFF-UHFFFAOYSA-N 0 0 443.579 4.975 50 0 IJAARN O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821788 556362719 /nfs/dbraw/zinc/36/27/19/556362719.db2.gz ZRKINYXQNPQHBK-KRWDZBQOSA-N 0 0 431.380 4.514 50 0 IJAARN CC[C@@H](C)NC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C ZINC000011868850 556368436 /nfs/dbraw/zinc/36/84/36/556368436.db2.gz WHZVBWOBUPBGSG-MRXNPFEDSA-N 0 0 438.597 4.688 50 0 IJAARN CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc32)CC1 ZINC000032806371 556368602 /nfs/dbraw/zinc/36/86/02/556368602.db2.gz NDZGJLVKYWNICO-UHFFFAOYSA-N 0 0 431.359 4.544 50 0 IJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Cl ZINC000014109563 556369101 /nfs/dbraw/zinc/36/91/01/556369101.db2.gz ZDTZXVRFTXRXFE-OAHLLOKOSA-N 0 0 441.984 4.834 50 0 IJAARN CSc1ccccc1OCc1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)no1 ZINC000011873889 556370352 /nfs/dbraw/zinc/37/03/52/556370352.db2.gz BVZZPOLYKBBVDQ-UHFFFAOYSA-N 0 0 436.455 4.967 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014120384 556371940 /nfs/dbraw/zinc/37/19/40/556371940.db2.gz XSGAPSSEUPKBMY-ZDUSSCGKSA-N 0 0 441.607 4.641 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1nnc(-c2ccccc2Br)n1 ZINC000014124089 556372885 /nfs/dbraw/zinc/37/28/85/556372885.db2.gz JDGMVFAEIBJFCD-OAHLLOKOSA-N 0 0 448.324 4.969 50 0 IJAARN CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000014128563 556373465 /nfs/dbraw/zinc/37/34/65/556373465.db2.gz LAYSZBLNEUUBAH-NRFANRHFSA-N 0 0 430.533 4.896 50 0 IJAARN COc1cccc(CN2C[C@@H](C(=O)NC(C)(C)c3cccc4ccccc43)CCC2=O)c1 ZINC000011934565 556377632 /nfs/dbraw/zinc/37/76/32/556377632.db2.gz MRHNKRZCYHTYDQ-NRFANRHFSA-N 0 0 430.548 4.639 50 0 IJAARN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000014168146 556380572 /nfs/dbraw/zinc/38/05/72/556380572.db2.gz UYXJRAPKIOTSMT-SFHVURJKSA-N 0 0 446.341 4.661 50 0 IJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000014184630 556384409 /nfs/dbraw/zinc/38/44/09/556384409.db2.gz ZGBBDTWNCDXQLC-UHFFFAOYSA-N 0 0 445.544 4.888 50 0 IJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000014189781 556387660 /nfs/dbraw/zinc/38/76/60/556387660.db2.gz MUNACASYBPQNEE-HSZRJFAPSA-N 0 0 441.453 4.629 50 0 IJAARN Cc1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)nn1-c1ccc(Cl)cc1 ZINC000014189988 556387692 /nfs/dbraw/zinc/38/76/92/556387692.db2.gz AEJZVYYMDHYYPY-UHFFFAOYSA-N 0 0 437.956 4.859 50 0 IJAARN CCC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1 ZINC000014200831 556391484 /nfs/dbraw/zinc/39/14/84/556391484.db2.gz HYDGQBYSBWUUIT-UHFFFAOYSA-N 0 0 431.517 4.665 50 0 IJAARN C[C@@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1nccs1 ZINC000012042911 556391550 /nfs/dbraw/zinc/39/15/50/556391550.db2.gz VVDBKMTYEQXVEN-CJAUYULYSA-N 0 0 433.577 4.659 50 0 IJAARN CN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000014201634 556391985 /nfs/dbraw/zinc/39/19/85/556391985.db2.gz NJBIOKFISXYJJU-UHFFFAOYSA-N 0 0 433.895 4.537 50 0 IJAARN COc1ccc(CN(C)Cc2nnc(SCC(C)C)n2-c2cccc(OC)c2)cc1 ZINC000012051011 556392506 /nfs/dbraw/zinc/39/25/06/556392506.db2.gz ZKQWHQDVKVZSSA-UHFFFAOYSA-N 0 0 426.586 4.665 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(Br)ccc1F ZINC000032817125 556393159 /nfs/dbraw/zinc/39/31/59/556393159.db2.gz CBAQMRFVKMIWAA-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)cc1Br ZINC000032817302 556393180 /nfs/dbraw/zinc/39/31/80/556393180.db2.gz SOOWJDUAMDDFRU-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN C[C@H]1Sc2ccc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)cc2NC1=O ZINC000032810816 556397496 /nfs/dbraw/zinc/39/74/96/556397496.db2.gz GRPFRZBBFVRHER-LLVKDONJSA-N 0 0 447.347 4.923 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2sccc2-c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000014241742 556402302 /nfs/dbraw/zinc/40/23/02/556402302.db2.gz NUDPCKMMIAPYIN-HSZRJFAPSA-N 0 0 436.577 4.535 50 0 IJAARN Cc1cc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)ccc1Br ZINC000032578614 556405303 /nfs/dbraw/zinc/40/53/03/556405303.db2.gz DUQWRTGHERZVMD-UHFFFAOYSA-N 0 0 430.302 4.948 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4C)cc3)n2)cc1 ZINC000032578874 556405798 /nfs/dbraw/zinc/40/57/98/556405798.db2.gz VNLVUSFWAAIWMD-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1ccc(F)cc1Cl ZINC000032578952 556406009 /nfs/dbraw/zinc/40/60/09/556406009.db2.gz DBIBVZYJIOOSNV-UHFFFAOYSA-N 0 0 437.858 4.891 50 0 IJAARN Cc1ccc(Sc2ccc(CN(C(=O)c3ccccc3)[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000032593339 556406974 /nfs/dbraw/zinc/40/69/74/556406974.db2.gz XEZIJLPAAYVRJI-LJQANCHMSA-N 0 0 441.574 4.569 50 0 IJAARN CC(C)c1cc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c2cnn(C(C)C)c2n1 ZINC000014252521 556409532 /nfs/dbraw/zinc/40/95/32/556409532.db2.gz JHBIKYUKAYOLKI-UHFFFAOYSA-N 0 0 446.020 4.809 50 0 IJAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@H](CC)CO)c2c1C ZINC000014254854 556410354 /nfs/dbraw/zinc/41/03/54/556410354.db2.gz NPOIVVULESAFID-CQSZACIVSA-N 0 0 431.583 4.652 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCC(=O)N1CCc2sccc2C1 ZINC000014310980 556412928 /nfs/dbraw/zinc/41/29/28/556412928.db2.gz UNTXSCPZKKCEDU-UHFFFAOYSA-N 0 0 432.954 4.575 50 0 IJAARN CCOc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000032828814 556413312 /nfs/dbraw/zinc/41/33/12/556413312.db2.gz YUDAHZNMOUWUEQ-UHFFFAOYSA-N 0 0 428.282 4.797 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C)c(I)c3)c12 ZINC000014350979 556413872 /nfs/dbraw/zinc/41/38/72/556413872.db2.gz ZOWUNWYMDVYMQV-UHFFFAOYSA-N 0 0 433.249 4.574 50 0 IJAARN CCc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000014361497 556414787 /nfs/dbraw/zinc/41/47/87/556414787.db2.gz QMGSYQAHIGFZLQ-HDICACEKSA-N 0 0 435.593 4.545 50 0 IJAARN C[C@@]1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCS(=O)(=O)C1 ZINC000032674416 556415354 /nfs/dbraw/zinc/41/53/54/556415354.db2.gz IVFSYHNEZFLICK-LJQANCHMSA-N 0 0 444.405 4.593 50 0 IJAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1=O ZINC000032674783 556415564 /nfs/dbraw/zinc/41/55/64/556415564.db2.gz XZBMCIPGLBWXKX-XJKSGUPXSA-N 0 0 427.476 4.637 50 0 IJAARN O=C(Oc1ccccc1N1C(=O)CCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000032832549 556417622 /nfs/dbraw/zinc/41/76/22/556417622.db2.gz FWRXZNGTVHTVQL-UHFFFAOYSA-N 0 0 429.350 4.838 50 0 IJAARN O=C1N[C@@]2(CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]32)NN1c1ccccc1 ZINC000012959682 556418611 /nfs/dbraw/zinc/41/86/11/556418611.db2.gz UBLXJJQOWTZNHB-APFRJGHOSA-N 0 0 426.520 4.779 50 0 IJAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000032837268 556418742 /nfs/dbraw/zinc/41/87/42/556418742.db2.gz BMQTZKXKEHAPGN-NRFANRHFSA-N 0 0 438.430 4.607 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccccc1Br ZINC000012971704 556418783 /nfs/dbraw/zinc/41/87/83/556418783.db2.gz PRLBKSRIYOQVJF-UHFFFAOYSA-N 0 0 446.351 4.588 50 0 IJAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000012977058 556422161 /nfs/dbraw/zinc/42/21/61/556422161.db2.gz KSWIXLXSQNDORO-LBPRGKRZSA-N 0 0 436.965 4.620 50 0 IJAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000012977060 556422167 /nfs/dbraw/zinc/42/21/67/556422167.db2.gz KSWIXLXSQNDORO-GFCCVEGCSA-N 0 0 436.965 4.620 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012992930 556428870 /nfs/dbraw/zinc/42/88/70/556428870.db2.gz GKOJTPOVIRBUCF-VXGBXAGGSA-N 0 0 426.355 4.775 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(F)cc1F)CC2 ZINC000012992666 556428816 /nfs/dbraw/zinc/42/88/16/556428816.db2.gz VZMCOPIWGUSRRL-RUZDIDTESA-N 0 0 438.474 4.568 50 0 IJAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)no1 ZINC000032845898 556429703 /nfs/dbraw/zinc/42/97/03/556429703.db2.gz SUYQIMTXJSUARK-QMHKHESXSA-N 0 0 449.532 4.695 50 0 IJAARN COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1Br ZINC000012998574 556432369 /nfs/dbraw/zinc/43/23/69/556432369.db2.gz RRWDZFCYTPGRQT-NSHDSACASA-N 0 0 435.343 4.909 50 0 IJAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1csc(COc2ccc(F)cc2)n1 ZINC000013000547 556432807 /nfs/dbraw/zinc/43/28/07/556432807.db2.gz DIZZFGGYCDNCCZ-UHFFFAOYSA-N 0 0 434.876 4.928 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC000032856059 556433638 /nfs/dbraw/zinc/43/36/38/556433638.db2.gz BYXKITWANAAUEA-UHFFFAOYSA-N 0 0 435.973 4.999 50 0 IJAARN O=C(c1ccoc1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013003524 556434219 /nfs/dbraw/zinc/43/42/19/556434219.db2.gz RMTFLRDDKQPMGT-MRXNPFEDSA-N 0 0 433.327 4.991 50 0 IJAARN Cc1noc(-c2ccc(C(=O)NCCSCc3ccc(Br)s3)cc2)n1 ZINC000013005719 556434752 /nfs/dbraw/zinc/43/47/52/556434752.db2.gz NJWMJPDRGRKWCN-UHFFFAOYSA-N 0 0 438.372 4.532 50 0 IJAARN Cc1c(NC(=O)c2cn(C)c3ccccc23)cccc1C(=O)N1CCc2sccc2C1 ZINC000027916234 556435253 /nfs/dbraw/zinc/43/52/53/556435253.db2.gz LQVGYSFDYLJPHX-UHFFFAOYSA-N 0 0 429.545 4.999 50 0 IJAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1ccccc1 ZINC000027989426 556439410 /nfs/dbraw/zinc/43/94/10/556439410.db2.gz LCKHUWNLLNDILX-UHFFFAOYSA-N 0 0 438.277 4.991 50 0 IJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000027991490 556439928 /nfs/dbraw/zinc/43/99/28/556439928.db2.gz KCUOUOILPYGHTH-OAQYLSRUSA-N 0 0 426.944 4.815 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000028231735 556446216 /nfs/dbraw/zinc/44/62/16/556446216.db2.gz UPDAPNHGYHLQEW-OAHLLOKOSA-N 0 0 449.931 4.672 50 0 IJAARN COc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000028402986 556453428 /nfs/dbraw/zinc/45/34/28/556453428.db2.gz KSDNEMOIQQPBGI-UHFFFAOYSA-N 0 0 448.317 4.931 50 0 IJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000072275030 556454413 /nfs/dbraw/zinc/45/44/13/556454413.db2.gz HHKAFTQIZGHFKB-FYSMJZIKSA-N 0 0 443.592 4.524 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000013074411 556455022 /nfs/dbraw/zinc/45/50/22/556455022.db2.gz CAIUNENJMBSHFP-MRXNPFEDSA-N 0 0 442.712 4.910 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000013076191 556455618 /nfs/dbraw/zinc/45/56/18/556455618.db2.gz OOPKBZCJCHEXRZ-HDICACEKSA-N 0 0 436.581 4.825 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000013075623 556455691 /nfs/dbraw/zinc/45/56/91/556455691.db2.gz REAQCNQJTOERPM-FQEVSTJZSA-N 0 0 426.563 4.551 50 0 IJAARN CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275184 556455723 /nfs/dbraw/zinc/45/57/23/556455723.db2.gz PCEMXRIMPJAERA-MRXNPFEDSA-N 0 0 431.290 4.781 50 0 IJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(Cc4cccnc4)C4CC4)cc3)ccc12 ZINC000028515162 556456366 /nfs/dbraw/zinc/45/63/66/556456366.db2.gz VBRIATOCXAABQF-UHFFFAOYSA-N 0 0 440.499 4.880 50 0 IJAARN COc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000032870690 556457022 /nfs/dbraw/zinc/45/70/22/556457022.db2.gz IBWCIUSLEFAGMH-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN CC(C)CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013096939 556457626 /nfs/dbraw/zinc/45/76/26/556457626.db2.gz OADVTPWVFSSRCM-UHFFFAOYSA-N 0 0 446.466 4.520 50 0 IJAARN CCc1cccc2c(C(=O)[C@H](OC(=O)CCn3c(C)csc3=O)c3ccccc3)c[nH]c21 ZINC000013100345 556459772 /nfs/dbraw/zinc/45/97/72/556459772.db2.gz WIUQGIMWDUITGX-XMMPIXPASA-N 0 0 448.544 4.819 50 0 IJAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1nc(-c2cccnc2)cs1)C1CCCCC1 ZINC000072277786 556459901 /nfs/dbraw/zinc/45/99/01/556459901.db2.gz CMYTUOJXBBQDGZ-KRWDZBQOSA-N 0 0 445.589 4.800 50 0 IJAARN O=C(CCSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1-c1ccccc1 ZINC000032871269 556460842 /nfs/dbraw/zinc/46/08/42/556460842.db2.gz MTNJDDAGPVZBMJ-KRWDZBQOSA-N 0 0 440.594 4.917 50 0 IJAARN O=S(=O)(c1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1)N1CCCC1 ZINC000013102138 556461051 /nfs/dbraw/zinc/46/10/51/556461051.db2.gz LQPYMLZRWPMWMU-UHFFFAOYSA-N 0 0 441.603 4.795 50 0 IJAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cccc3cnccc32)no1 ZINC000014962320 556464263 /nfs/dbraw/zinc/46/42/63/556464263.db2.gz LFPNTPMFOPGQHH-UHFFFAOYSA-N 0 0 437.883 4.736 50 0 IJAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013112492 556464835 /nfs/dbraw/zinc/46/48/35/556464835.db2.gz LLZPJPNRLOJOSC-INIZCTEOSA-N 0 0 433.961 4.708 50 0 IJAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 ZINC000029060084 556466420 /nfs/dbraw/zinc/46/64/20/556466420.db2.gz YOBGZWYJKAGFFD-BVZFJXPGSA-N 0 0 442.515 4.517 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cccc(OCc3c(C)noc3C)c1)O[C@@H](C)C2 ZINC000013113189 556466487 /nfs/dbraw/zinc/46/64/87/556466487.db2.gz NRMVIMUHIBJTIK-HNNXBMFYSA-N 0 0 436.508 4.523 50 0 IJAARN Cc1sc2nc(C)nc(SCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2c1C ZINC000013114260 556466494 /nfs/dbraw/zinc/46/64/94/556466494.db2.gz MFBSFYQNPBYRGG-UHFFFAOYSA-N 0 0 437.594 4.553 50 0 IJAARN CN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000013117762 556470758 /nfs/dbraw/zinc/47/07/58/556470758.db2.gz WOAWRVCJKXVZAP-JOCHJYFZSA-N 0 0 432.593 4.832 50 0 IJAARN COc1ccc(-c2cc3ncn(CC(=O)c4cc(C)n(C5CC5)c4C)c(=O)c3s2)cc1 ZINC000013120616 556472520 /nfs/dbraw/zinc/47/25/20/556472520.db2.gz XACVTMHEHPJOQA-UHFFFAOYSA-N 0 0 433.533 4.770 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(C(=O)Cc2ccc(F)cc2Cl)CC3)c1 ZINC000014991638 556474999 /nfs/dbraw/zinc/47/49/99/556474999.db2.gz WVDNFFMNVAGURL-HXUWFJFHSA-N 0 0 428.935 4.906 50 0 IJAARN CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)s1 ZINC000013127777 556476317 /nfs/dbraw/zinc/47/63/17/556476317.db2.gz QGIQDEXIADRJLL-LBPRGKRZSA-N 0 0 441.607 4.900 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000013128116 556477173 /nfs/dbraw/zinc/47/71/73/556477173.db2.gz MQTWGXWNOJWGTJ-UHFFFAOYSA-N 0 0 442.519 4.632 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)n1C ZINC000013128221 556477448 /nfs/dbraw/zinc/47/74/48/556477448.db2.gz HYGPSVXNFGBFRH-IBGZPJMESA-N 0 0 442.541 4.582 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Br)c1 ZINC000015001186 556479768 /nfs/dbraw/zinc/47/97/68/556479768.db2.gz VMWMZVFWUZJWBZ-UHFFFAOYSA-N 0 0 429.236 4.569 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000013133959 556481763 /nfs/dbraw/zinc/48/17/63/556481763.db2.gz LVKDOALNTPWXLJ-UHFFFAOYSA-N 0 0 441.527 4.949 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000015011386 556483420 /nfs/dbraw/zinc/48/34/20/556483420.db2.gz JMPZBUSNUOGLQQ-HDICACEKSA-N 0 0 436.581 4.825 50 0 IJAARN COc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2C)cc1OC ZINC000013136082 556483699 /nfs/dbraw/zinc/48/36/99/556483699.db2.gz OWGMEXXMECNPAB-UHFFFAOYSA-N 0 0 443.547 4.773 50 0 biogenic IJAARN CCCCCn1nc(C(=O)Nc2nc3ccc(OCC)cc3s2)c2ccccc2c1=O ZINC000013138727 556485377 /nfs/dbraw/zinc/48/53/77/556485377.db2.gz JGIILNFPRRNUHG-UHFFFAOYSA-N 0 0 436.537 4.847 50 0 IJAARN O=C(COc1ccc2ccccc2c1)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000029892122 556485899 /nfs/dbraw/zinc/48/58/99/556485899.db2.gz WXNDUNHBDDPSLA-UHFFFAOYSA-N 0 0 449.601 4.748 50 0 IJAARN O=C(NCc1cccnc1-n1ccnc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000029916904 556486535 /nfs/dbraw/zinc/48/65/35/556486535.db2.gz DMIFMGMAGFAHBX-UHFFFAOYSA-N 0 0 437.425 4.960 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000013147922 556489001 /nfs/dbraw/zinc/48/90/01/556489001.db2.gz JWLJLHNMOVIHJG-UHFFFAOYSA-N 0 0 448.544 4.953 50 0 IJAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2cc3oc4ccccc4c3cc2OC)C(C)C)cc1 ZINC000013148016 556489395 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IJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(F)cc2Cl)c3=O)cc1 ZINC000038651690 556615077 /nfs/dbraw/zinc/61/50/77/556615077.db2.gz YTAYGTIXIWOODB-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)cc1OC ZINC000016640571 556619691 /nfs/dbraw/zinc/61/96/91/556619691.db2.gz QCTJRRLXJSCCPP-UHFFFAOYSA-N 0 0 431.467 4.626 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000033679349 556621348 /nfs/dbraw/zinc/62/13/48/556621348.db2.gz BRANIIMYVSWXPS-XMMPIXPASA-N 0 0 446.570 4.666 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)CSc2nc3ccccc3n2C2CCCCC2)cc1 ZINC000016680283 556623803 /nfs/dbraw/zinc/62/38/03/556623803.db2.gz URVCWBIKYRRYNC-UHFFFAOYSA-N 0 0 428.579 4.920 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1 ZINC000032999173 556627360 /nfs/dbraw/zinc/62/73/60/556627360.db2.gz FADHPKNOUHIWGF-UHFFFAOYSA-N 0 0 427.464 4.563 50 0 IJAARN CC(C)N(C(=O)[C@@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C)C(C)C ZINC000016731619 556631328 /nfs/dbraw/zinc/63/13/28/556631328.db2.gz CHCBULBJMLNABR-CQSZACIVSA-N 0 0 447.601 4.927 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000097938701 556634957 /nfs/dbraw/zinc/63/49/57/556634957.db2.gz WJGHFXLVYWQISR-HXUWFJFHSA-N 0 0 427.508 4.894 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000097938705 556634993 /nfs/dbraw/zinc/63/49/93/556634993.db2.gz AIMCNJWPSAATIB-IBGZPJMESA-N 0 0 431.471 4.725 50 0 IJAARN CCCOc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016742190 556636043 /nfs/dbraw/zinc/63/60/43/556636043.db2.gz GPQNNPYVHXYURX-JOCHJYFZSA-N 0 0 443.609 4.602 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1OCC ZINC000016753004 556638091 /nfs/dbraw/zinc/63/80/91/556638091.db2.gz JZJVBXJLVKGRRI-UHFFFAOYSA-N 0 0 425.485 4.675 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2Cc2cccc(Cl)c2)C1 ZINC000037526562 556639295 /nfs/dbraw/zinc/63/92/95/556639295.db2.gz UPRZSQKPMZGCLI-INIZCTEOSA-N 0 0 430.957 4.820 50 0 IJAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780466 556641285 /nfs/dbraw/zinc/64/12/85/556641285.db2.gz CIBWOZHIDRGEMZ-UHFFFAOYSA-N 0 0 449.359 4.801 50 0 IJAARN CN(C)c1nc2cc(C(=O)N3CCCCC3)sc2n1-c1ccc(Br)cc1 ZINC000032921950 556642806 /nfs/dbraw/zinc/64/28/06/556642806.db2.gz CNQGVQBLIMYENU-UHFFFAOYSA-N 0 0 433.375 4.542 50 0 IJAARN O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000061582033 556642861 /nfs/dbraw/zinc/64/28/61/556642861.db2.gz XCBZMYLOEYWXAE-VIFPVBQESA-N 0 0 430.801 4.940 50 0 IJAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O)Nc1ccccc1Cl ZINC000040484894 556644030 /nfs/dbraw/zinc/64/40/30/556644030.db2.gz RRUMBEZWJUWWPS-UHFFFAOYSA-N 0 0 446.869 4.747 50 0 IJAARN CCn1c(SCC(=O)NCc2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845068 556646577 /nfs/dbraw/zinc/64/65/77/556646577.db2.gz UIGYDMUNQNCPLT-UHFFFAOYSA-N 0 0 435.574 4.553 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000016846522 556647098 /nfs/dbraw/zinc/64/70/98/556647098.db2.gz KTSXNYBWJWLIQY-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011744081 556649883 /nfs/dbraw/zinc/64/98/83/556649883.db2.gz YNHFFACERBRGOK-MJGOQNOKSA-N 0 0 433.552 4.627 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc(OCC)c1OCC ZINC000011757662 556651360 /nfs/dbraw/zinc/65/13/60/556651360.db2.gz HHAVJZNAGWFCBQ-UHFFFAOYSA-N 0 0 446.544 4.767 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(Br)cc4C)cc(=O)n3c2cc1C ZINC000033009041 556656256 /nfs/dbraw/zinc/65/62/56/556656256.db2.gz MXZASKSMUOJFDX-UHFFFAOYSA-N 0 0 442.338 4.849 50 0 IJAARN Cc1c(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cccc1C(=O)N1CCCC1 ZINC000060303537 556657056 /nfs/dbraw/zinc/65/70/56/556657056.db2.gz LAFSIJCHNNHAJO-UHFFFAOYSA-N 0 0 442.441 4.688 50 0 IJAARN CN(c1nnc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)s1)c1ccccc1 ZINC000011797041 556657077 /nfs/dbraw/zinc/65/70/77/556657077.db2.gz JMFYIGBJZWPKDJ-UHFFFAOYSA-N 0 0 430.489 4.954 50 0 IJAARN CCCCC(=O)Nc1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010359 556658072 /nfs/dbraw/zinc/65/80/72/556658072.db2.gz PUJQFQGNFVKMPY-UHFFFAOYSA-N 0 0 438.572 4.516 50 0 IJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(Br)c1 ZINC000011847406 556660313 /nfs/dbraw/zinc/66/03/13/556660313.db2.gz DDKXHGQEJYIHRB-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 ZINC000033012328 556661239 /nfs/dbraw/zinc/66/12/39/556661239.db2.gz BPFGSUWXQRFBQV-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC000011856897 556662369 /nfs/dbraw/zinc/66/23/69/556662369.db2.gz JATDIMMYEKHHSU-UHFFFAOYSA-N 0 0 430.844 4.873 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(Cn2cc(Cl)cn2)cc1 ZINC000017100932 556665970 /nfs/dbraw/zinc/66/59/70/556665970.db2.gz QXNFRUDHKSBVDI-UHFFFAOYSA-N 0 0 436.947 4.999 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000011111710 556666362 /nfs/dbraw/zinc/66/63/62/556666362.db2.gz QGFDXQUISGIKKB-KDOFPFPSSA-N 0 0 446.956 4.639 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000018172691 556685523 /nfs/dbraw/zinc/68/55/23/556685523.db2.gz WYGMGTPJGPRSBF-LWYUSKRHSA-N 0 0 449.780 4.937 50 0 IJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)cc1 ZINC000018210225 556687122 /nfs/dbraw/zinc/68/71/22/556687122.db2.gz UVZHTUDICVMEQI-MJGOQNOKSA-N 0 0 446.429 4.813 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000018220145 556687702 /nfs/dbraw/zinc/68/77/02/556687702.db2.gz BDNOOOWNKIDZOU-VWLOTQADSA-N 0 0 434.580 4.842 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000018276874 556689089 /nfs/dbraw/zinc/68/90/89/556689089.db2.gz ZYDJPRLMRSWXCA-QFIPXVFZSA-N 0 0 448.544 4.632 50 0 IJAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018322904 556689434 /nfs/dbraw/zinc/68/94/34/556689434.db2.gz ISKXHKDXRCKRJA-TXFWVUOCSA-N 0 0 437.495 4.685 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccccc1 ZINC000046005895 556689886 /nfs/dbraw/zinc/68/98/86/556689886.db2.gz JVYUWLXVJVSFFY-UHFFFAOYSA-N 0 0 442.563 4.993 50 0 IJAARN Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H]3CCCc4c5cc(F)ccc5[nH]c43)c(=O)oc12 ZINC000252488426 556690120 /nfs/dbraw/zinc/69/01/20/556690120.db2.gz IRQUGDVLCARSNJ-OAQYLSRUSA-N 0 0 448.494 4.862 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@]12C=C(C)[C@@H](c1cc(C)ccc1OC)CC2=O ZINC000253471649 556697676 /nfs/dbraw/zinc/69/76/76/556697676.db2.gz WQVSDWDDNOWAJV-PCGBTYCASA-N 0 0 437.580 4.992 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)c2)cc1C ZINC000033028422 556708894 /nfs/dbraw/zinc/70/88/94/556708894.db2.gz UDMRZZFRBRBKNU-KRWDZBQOSA-N 0 0 442.512 4.649 50 0 IJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000033035890 556718693 /nfs/dbraw/zinc/71/86/93/556718693.db2.gz HKBCNLXUZHVGGM-IBGZPJMESA-N 0 0 433.474 4.544 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N(C)Cc2ccco2)cc1 ZINC000033037234 556722094 /nfs/dbraw/zinc/72/20/94/556722094.db2.gz RZGVPTNDYXCFLW-UHFFFAOYSA-N 0 0 442.519 4.980 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)c(F)c4)nccn3n2)cc1 ZINC000072328561 556726155 /nfs/dbraw/zinc/72/61/55/556726155.db2.gz KWRYZKMXVQMZCU-UHFFFAOYSA-N 0 0 440.475 4.804 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1Cl ZINC000072328719 556726523 /nfs/dbraw/zinc/72/65/23/556726523.db2.gz BOBSTUTZQQTWGP-UHFFFAOYSA-N 0 0 438.959 4.708 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OCC)CC3)[nH]n2)cc1 ZINC000072331245 556730015 /nfs/dbraw/zinc/73/00/15/556730015.db2.gz ZEAUHYRWLCNUED-UHFFFAOYSA-N 0 0 448.567 4.617 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(Br)cc3)[nH]n2)cc1 ZINC000072331563 556730720 /nfs/dbraw/zinc/73/07/20/556730720.db2.gz DBFDPZOMQDAFDH-UHFFFAOYSA-N 0 0 428.330 4.948 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055107810 556734924 /nfs/dbraw/zinc/73/49/24/556734924.db2.gz CTRJXDZKYHBNJJ-KRWDZBQOSA-N 0 0 441.915 4.608 50 0 IJAARN C[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2ccccc2s1 ZINC000078714307 556735439 /nfs/dbraw/zinc/73/54/39/556735439.db2.gz OHXMHOKCIDAOTN-PIGZYNQJSA-N 0 0 431.970 4.673 50 0 IJAARN COc1cc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c(C(=O)N(C)C)cc1OC ZINC000058017872 556754258 /nfs/dbraw/zinc/75/42/58/556754258.db2.gz YLOIVXLGGWOGSO-HXUWFJFHSA-N 0 0 431.558 4.520 50 0 IJAARN C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1 ZINC000058123643 556759544 /nfs/dbraw/zinc/75/95/44/556759544.db2.gz NRENEBHZGDGMTM-GFCCVEGCSA-N 0 0 428.747 4.502 50 0 IJAARN COc1cccc(OC)c1OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000005294635 556762513 /nfs/dbraw/zinc/76/25/13/556762513.db2.gz KSYLYZWKYCHKRP-UHFFFAOYSA-N 0 0 425.525 4.673 50 0 IJAARN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000058159391 556763802 /nfs/dbraw/zinc/76/38/02/556763802.db2.gz UDENLODPTPWKOU-UHFFFAOYSA-N 0 0 447.322 4.891 50 0 IJAARN COc1ccccc1C1=NN(C(C)=O)[C@@H]([C@H]2CC(c3ccsc3)=NN2c2ccccc2)C1 ZINC000206590276 556767700 /nfs/dbraw/zinc/76/77/00/556767700.db2.gz FLPXCPXXLGASFV-DNQXCXABSA-N 0 0 444.560 4.765 50 0 IJAARN COc1ccc(-c2noc(C[S@@](=O)Cc3ccc(Cl)cc3Cl)n2)c(OC)c1 ZINC000058169295 556767765 /nfs/dbraw/zinc/76/77/65/556767765.db2.gz UHHKHURDWKHNLT-HHHXNRCGSA-N 0 0 427.309 4.510 50 0 IJAARN O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)[nH]c2scc(-c3ccco3)c21 ZINC000058172502 556768572 /nfs/dbraw/zinc/76/85/72/556768572.db2.gz DGFLCDTVBVAUAM-KRWDZBQOSA-N 0 0 449.532 4.743 50 0 IJAARN CC(C)C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000058218096 556772870 /nfs/dbraw/zinc/77/28/70/556772870.db2.gz KBZRZFZRACMAHO-FQEVSTJZSA-N 0 0 446.469 4.872 50 0 IJAARN O=C(Nc1cccc(-c2ccsc2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000058231260 556774361 /nfs/dbraw/zinc/77/43/61/556774361.db2.gz RLQLFMSCAYWXAE-QGZVFWFLSA-N 0 0 444.553 4.594 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC ZINC000058297981 556778271 /nfs/dbraw/zinc/77/82/71/556778271.db2.gz OKWPDAFQVAXGJL-KRWDZBQOSA-N 0 0 441.915 4.817 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCc2c(Cl)ccc3cccnc32)n1N ZINC000058391785 556784779 /nfs/dbraw/zinc/78/47/79/556784779.db2.gz KKGWDWVCZNNICI-UHFFFAOYSA-N 0 0 425.945 4.682 50 0 IJAARN CCCn1c(C)c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c2cc(OC)ccc21 ZINC000058418983 556787048 /nfs/dbraw/zinc/78/70/48/556787048.db2.gz NWQNWQODMBPKNU-IAGOWNOFSA-N 0 0 436.556 4.629 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3ccc(F)cc32)c1)c1ccc(Br)o1 ZINC000058745587 556791785 /nfs/dbraw/zinc/79/17/85/556791785.db2.gz CAHUSPGTRPZWDX-UHFFFAOYSA-N 0 0 429.245 4.636 50 0 IJAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)CCOc1ccc(F)cc1 ZINC000059290028 556797044 /nfs/dbraw/zinc/79/70/44/556797044.db2.gz AGWRRDDISXRNJU-UHFFFAOYSA-N 0 0 430.476 4.738 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002624454 556800693 /nfs/dbraw/zinc/80/06/93/556800693.db2.gz SIHIYDATGGKGFF-UHFFFAOYSA-N 0 0 433.895 4.668 50 0 IJAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccccc1 ZINC000002674965 556803085 /nfs/dbraw/zinc/80/30/85/556803085.db2.gz OJEQABFKALYHPZ-QFIPXVFZSA-N 0 0 429.501 4.755 50 0 IJAARN COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000003225098 556805674 /nfs/dbraw/zinc/80/56/74/556805674.db2.gz ATDGCEQWQOODMR-FPYGCLRLSA-N 0 0 443.805 4.571 50 0 IJAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003253938 556807078 /nfs/dbraw/zinc/80/70/78/556807078.db2.gz IZCAOWADYYIXRZ-UHFFFAOYSA-N 0 0 437.834 4.909 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ncnc2ccccc21 ZINC000003266851 556807649 /nfs/dbraw/zinc/80/76/49/556807649.db2.gz RUVGIQFWRITZPK-UHFFFAOYSA-N 0 0 433.489 4.553 50 0 IJAARN O=C(c1csc(NCc2ccccc2)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000061719577 556811257 /nfs/dbraw/zinc/81/12/57/556811257.db2.gz ONDQCEFZBBFBAJ-UHFFFAOYSA-N 0 0 427.957 4.532 50 0 IJAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCCC1 ZINC000003414272 556814977 /nfs/dbraw/zinc/81/49/77/556814977.db2.gz WXFHQMYVNDHTPF-UHFFFAOYSA-N 0 0 434.536 4.724 50 0 IJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3)cc(=O)n2c1 ZINC000033068183 556820929 /nfs/dbraw/zinc/82/09/29/556820929.db2.gz LCNOXHWKOOMUDF-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1C(F)(F)F ZINC000033068312 556821806 /nfs/dbraw/zinc/82/18/06/556821806.db2.gz LSMPICXJMRUMEL-UHFFFAOYSA-N 0 0 439.393 4.545 50 0 IJAARN O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1)N1CCSCC1 ZINC000064471859 556824457 /nfs/dbraw/zinc/82/44/57/556824457.db2.gz PDYCGADNNDXDRL-UHFFFAOYSA-N 0 0 428.355 4.930 50 0 IJAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)N1CCc2ccccc2C1 ZINC000064790225 556827024 /nfs/dbraw/zinc/82/70/24/556827024.db2.gz ANKKUBAWKDRJKH-UHFFFAOYSA-N 0 0 446.551 4.879 50 0 IJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000005603979 556829399 /nfs/dbraw/zinc/82/93/99/556829399.db2.gz SPRJXILXKHDYHY-UHFFFAOYSA-N 0 0 427.544 4.843 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000064984119 556829965 /nfs/dbraw/zinc/82/99/65/556829965.db2.gz NFGAUACSXKEPLE-HNNXBMFYSA-N 0 0 430.389 4.825 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1C ZINC000065003707 556831747 /nfs/dbraw/zinc/83/17/47/556831747.db2.gz BWRNZBHUMNSYRY-HXUWFJFHSA-N 0 0 448.588 4.682 50 0 IJAARN CC(C)n1c(SCC(=O)NCCc2ccccc2)nnc1-c1csc2c1CCCC2 ZINC000019632520 556833338 /nfs/dbraw/zinc/83/33/38/556833338.db2.gz SQTLQPCBEBYRCG-UHFFFAOYSA-N 0 0 440.638 4.917 50 0 IJAARN CCOC(=O)c1sc2nc(-c3cc(OC)cc(OC)c3)c(NC3CCCC3)n2c1C ZINC000065318767 556833549 /nfs/dbraw/zinc/83/35/49/556833549.db2.gz JLMKDJALXXPDJB-UHFFFAOYSA-N 0 0 429.542 4.920 50 0 IJAARN CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000019633456 556833738 /nfs/dbraw/zinc/83/37/38/556833738.db2.gz SQQZKDOINFYNSD-UHFFFAOYSA-N 0 0 441.424 4.797 50 0 IJAARN Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)C[C@@H](C)CC4)cc1 ZINC000019643999 556838981 /nfs/dbraw/zinc/83/89/81/556838981.db2.gz XMTVHTAWQKHBAS-ZDUSSCGKSA-N 0 0 445.635 4.557 50 0 IJAARN CCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1csc(C)c1C ZINC000019645078 556839659 /nfs/dbraw/zinc/83/96/59/556839659.db2.gz ADSWCGGIJQRURA-UHFFFAOYSA-N 0 0 446.598 4.781 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(F)c4C)CC3)nc(C)n2)cc1 ZINC000067629893 556845173 /nfs/dbraw/zinc/84/51/73/556845173.db2.gz TYBPTWUGXDZQAD-UHFFFAOYSA-N 0 0 434.519 4.639 50 0 IJAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 ZINC000008749312 556845270 /nfs/dbraw/zinc/84/52/70/556845270.db2.gz KMRZIALJJWHFLF-WIYYLYMNSA-N 0 0 435.597 4.542 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)N2CCCC2)cc1 ZINC000008745753 556845391 /nfs/dbraw/zinc/84/53/91/556845391.db2.gz UMLNSEPBGBOSMB-OAQYLSRUSA-N 0 0 440.613 4.638 50 0 IJAARN CCC[C@@H](C)[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078694 556853706 /nfs/dbraw/zinc/85/37/06/556853706.db2.gz RHDZOEOYNQOLNO-MRXNPFEDSA-N 0 0 429.948 4.601 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033088385 556856274 /nfs/dbraw/zinc/85/62/74/556856274.db2.gz MQNISYBDNQEMNJ-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN CCc1cccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033088395 556856427 /nfs/dbraw/zinc/85/64/27/556856427.db2.gz IHWDFXZSVAEYLU-UHFFFAOYSA-N 0 0 429.377 4.764 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccc2ccccc2c1 ZINC000033087420 556857221 /nfs/dbraw/zinc/85/72/21/556857221.db2.gz KTZGRXBDMBXXHV-UHFFFAOYSA-N 0 0 429.505 4.963 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCc3ncc(C)c(OC)c3C)c2sc1NC(C)=O ZINC000033113651 556860401 /nfs/dbraw/zinc/86/04/01/556860401.db2.gz QGNHTXQKENXGDW-UHFFFAOYSA-N 0 0 442.537 4.944 50 0 IJAARN C[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116001 556861718 /nfs/dbraw/zinc/86/17/18/556861718.db2.gz KDVUFAOGIPDNMQ-GOSISDBHSA-N 0 0 431.536 4.606 50 0 IJAARN CCCCN(CC)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019706424 556864668 /nfs/dbraw/zinc/86/46/68/556864668.db2.gz DQIWVCPLUDCGAA-UHFFFAOYSA-N 0 0 425.602 4.581 50 0 IJAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)o2)cc1 ZINC000033119784 556864712 /nfs/dbraw/zinc/86/47/12/556864712.db2.gz SNCFEYJBLOKUCX-QGZVFWFLSA-N 0 0 447.535 4.681 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000033128509 556865572 /nfs/dbraw/zinc/86/55/72/556865572.db2.gz BSIIMGKYRDSGMX-UHFFFAOYSA-N 0 0 445.494 4.560 50 0 IJAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCc3ccccc3F)cc3c2CCCC3=O)cc1 ZINC000033126871 556867321 /nfs/dbraw/zinc/86/73/21/556867321.db2.gz GJKLNBHGIQYESN-UHFFFAOYSA-N 0 0 432.495 4.549 50 0 IJAARN O=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NCCC1=CCCCC1 ZINC000004672639 556868084 /nfs/dbraw/zinc/86/80/84/556868084.db2.gz UMGJNTOSYUAOIT-UHFFFAOYSA-N 0 0 431.621 4.842 50 0 IJAARN O=C(Nc1cccc(F)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130009 556869580 /nfs/dbraw/zinc/86/95/80/556869580.db2.gz CXZFVKDXLREKBA-UHFFFAOYSA-N 0 0 438.524 4.920 50 0 IJAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NCCc3ccccc3)c2)n1 ZINC000033130541 556870657 /nfs/dbraw/zinc/87/06/57/556870657.db2.gz UTZZYWSEKKDHJF-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[C@@]5(O)CCCC[C@@H]5C4)c(C)c3cc2c1C ZINC000015954300 556880580 /nfs/dbraw/zinc/88/05/80/556880580.db2.gz HCOCIDUQXBEECN-DWXRJYCRSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168770 556880905 /nfs/dbraw/zinc/88/09/05/556880905.db2.gz BMGDELWPXNBFND-GOSISDBHSA-N 0 0 438.984 4.814 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033169574 556884750 /nfs/dbraw/zinc/88/47/50/556884750.db2.gz IGUFCXQCZYOCLG-KRWDZBQOSA-N 0 0 432.549 4.631 50 0 IJAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)cc1OC ZINC000033250496 556891496 /nfs/dbraw/zinc/89/14/96/556891496.db2.gz UKJAHLFGZBXMID-INIZCTEOSA-N 0 0 441.553 4.559 50 0 IJAARN COc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(OC)c1 ZINC000033252156 556892685 /nfs/dbraw/zinc/89/26/85/556892685.db2.gz AHEGRSACWSQQTD-UHFFFAOYSA-N 0 0 444.535 4.660 50 0 IJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCc1ccccc1 ZINC000033255157 556894875 /nfs/dbraw/zinc/89/48/75/556894875.db2.gz JUVCNWYEDPNCOG-UHFFFAOYSA-N 0 0 439.515 4.560 50 0 IJAARN COc1ccc(-c2nc3c(s2)CN(C(=O)c2ccccc2Br)CC3)cc1 ZINC000033255826 556895091 /nfs/dbraw/zinc/89/50/91/556895091.db2.gz LYFWTXVASLFSKW-UHFFFAOYSA-N 0 0 429.339 4.780 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000019793179 556915585 /nfs/dbraw/zinc/91/55/85/556915585.db2.gz WUHFSCFYFBWCOF-JQIJEIRASA-N 0 0 442.559 4.651 50 0 IJAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc5oc(=O)ccc5c4)ccc3C(=O)O2)cc1 ZINC000019810074 556918948 /nfs/dbraw/zinc/91/89/48/556918948.db2.gz ZQAXHVYMVVIQDD-HSZRJFAPSA-N 0 0 425.440 4.808 50 0 IJAARN COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(Br)cc2C)n1 ZINC000019816364 556919748 /nfs/dbraw/zinc/91/97/48/556919748.db2.gz CSJSFMNKLQTFAL-UHFFFAOYSA-N 0 0 430.302 4.778 50 0 IJAARN Cc1nn2c(nnc3c(=O)n(-c4ccc(F)c(Cl)c4)ccc32)c1-c1ccc(Cl)cc1 ZINC000019821542 556924685 /nfs/dbraw/zinc/92/46/85/556924685.db2.gz SZEZMEQZMRXVRO-UHFFFAOYSA-N 0 0 440.265 4.850 50 0 IJAARN O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019823769 556925205 /nfs/dbraw/zinc/92/52/05/556925205.db2.gz ZSPIFDHETAJZGN-UHFFFAOYSA-N 0 0 428.454 4.582 50 0 IJAARN O=C(NCCc1nc2cccnc2n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000033263767 556930227 /nfs/dbraw/zinc/93/02/27/556930227.db2.gz SBDDMTYIDOCOSD-UHFFFAOYSA-N 0 0 425.414 4.804 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860361 556932680 /nfs/dbraw/zinc/93/26/80/556932680.db2.gz RRJPANMKJRJDKF-GOSISDBHSA-N 0 0 434.989 4.644 50 0 IJAARN O=C(Cn1c(=O)sc2ccccc21)O[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl ZINC000019893094 556939882 /nfs/dbraw/zinc/93/98/82/556939882.db2.gz KACRWFPRXCLQQP-MRXNPFEDSA-N 0 0 446.739 4.519 50 0 IJAARN Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000019898566 556941115 /nfs/dbraw/zinc/94/11/15/556941115.db2.gz LRAJZVWFDZARBM-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020028498 556967679 /nfs/dbraw/zinc/96/76/79/556967679.db2.gz IKEUNBBTTHLSKL-UHFFFAOYSA-N 0 0 435.376 4.653 50 0 IJAARN Cc1ccc(C)c(-c2cc3c(N4CCC(C(=O)Nc5ccccc5)CC4)nccn3n2)c1 ZINC000033266588 556977498 /nfs/dbraw/zinc/97/74/98/556977498.db2.gz ZNYROGPUWHZUAK-UHFFFAOYSA-N 0 0 425.536 4.868 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2cccc(C)c2)cc1OC ZINC000033268932 556986699 /nfs/dbraw/zinc/98/66/99/556986699.db2.gz DLICFNFDNTYVTB-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN CCc1ccc(CNC(=O)CSc2cc(C)nc3c(-c4ccc(OC)cc4)cnn32)cc1 ZINC000033269058 556987335 /nfs/dbraw/zinc/98/73/35/556987335.db2.gz OGPHHCKZMTZCMC-UHFFFAOYSA-N 0 0 446.576 4.684 50 0 IJAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000023119117 557006751 /nfs/dbraw/zinc/00/67/51/557006751.db2.gz OFELVNNAUXZTHD-LJQANCHMSA-N 0 0 443.908 4.568 50 0 IJAARN Cc1ccc(S(=O)(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000023119119 557006760 /nfs/dbraw/zinc/00/67/60/557006760.db2.gz OFELVNNAUXZTHD-IBGZPJMESA-N 0 0 443.908 4.568 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020368470 557012216 /nfs/dbraw/zinc/01/22/16/557012216.db2.gz CVSXKFUBNGTTQW-UHFFFAOYSA-N 0 0 437.971 4.624 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)cc1 ZINC000045971425 557014242 /nfs/dbraw/zinc/01/42/42/557014242.db2.gz SYIYQBMJKIFSCH-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccc(C)c(F)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994432 557014620 /nfs/dbraw/zinc/01/46/20/557014620.db2.gz OMQUSALDTUPUOT-UHFFFAOYSA-N 0 0 425.508 4.535 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2 ZINC000045994501 557014853 /nfs/dbraw/zinc/01/48/53/557014853.db2.gz RWMDWCWAZKYEPD-UHFFFAOYSA-N 0 0 445.906 4.936 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045992003 557017644 /nfs/dbraw/zinc/01/76/44/557017644.db2.gz FPIMPFFQBOFWJH-QGZVFWFLSA-N 0 0 430.508 4.748 50 0 IJAARN Cc1cc(OCC(=O)NC2CCCC2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016572 557022848 /nfs/dbraw/zinc/02/28/48/557022848.db2.gz AWZTWWVVCLBJIU-UHFFFAOYSA-N 0 0 426.520 4.834 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c(Br)c1 ZINC000010750693 557024447 /nfs/dbraw/zinc/02/44/47/557024447.db2.gz DKLPQDVFWHCQFU-OAHLLOKOSA-N 0 0 430.346 4.632 50 0 IJAARN COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032278 557024727 /nfs/dbraw/zinc/02/47/27/557024727.db2.gz UBPAKQKJVCLDRK-UHFFFAOYSA-N 0 0 447.004 4.501 50 0 IJAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032314 557024741 /nfs/dbraw/zinc/02/47/41/557024741.db2.gz PBOWKQUCCSJLQD-UHFFFAOYSA-N 0 0 448.592 4.660 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)c4c(F)cccc4Cl)cc3c2=O)cc1 ZINC000023143834 557025515 /nfs/dbraw/zinc/02/55/15/557025515.db2.gz KFSCWPXEDCZYJR-UHFFFAOYSA-N 0 0 437.858 4.748 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053594 557026774 /nfs/dbraw/zinc/02/67/74/557026774.db2.gz JOQCFPQYORZXPL-QGZVFWFLSA-N 0 0 441.959 4.603 50 0 IJAARN NC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153799 557028648 /nfs/dbraw/zinc/02/86/48/557028648.db2.gz BQZPWUNFXZVWNY-UHFFFAOYSA-N 0 0 441.556 4.811 50 0 IJAARN COc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)ccc1F ZINC000046057609 557029028 /nfs/dbraw/zinc/02/90/28/557029028.db2.gz ANYGBPQPIKYPGC-AWEZNQCLSA-N 0 0 427.863 4.599 50 0 IJAARN COc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)ccc1F ZINC000046057606 557029169 /nfs/dbraw/zinc/02/91/69/557029169.db2.gz ANYGBPQPIKYPGC-CQSZACIVSA-N 0 0 427.863 4.599 50 0 IJAARN COCc1nc2scc(-c3ccccc3)c2c(N2CCN(Cc3cccc(O)c3)CC2)n1 ZINC000072098604 557029836 /nfs/dbraw/zinc/02/98/36/557029836.db2.gz NSZCPJDPIYPWTK-UHFFFAOYSA-N 0 0 446.576 4.533 50 0 IJAARN CN(c1ccccc1F)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077524 557033289 /nfs/dbraw/zinc/03/32/89/557033289.db2.gz PCJDCQAOWIJOQV-UHFFFAOYSA-N 0 0 432.860 4.662 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078592 557033571 /nfs/dbraw/zinc/03/35/71/557033571.db2.gz XMWHPYIMYFULSH-UHFFFAOYSA-N 0 0 428.488 4.627 50 0 IJAARN CN(c1cccc(F)c1)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077676 557033612 /nfs/dbraw/zinc/03/36/12/557033612.db2.gz YFGXANWAQSYEQW-UHFFFAOYSA-N 0 0 432.860 4.662 50 0 IJAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)c1 ZINC000046079589 557034636 /nfs/dbraw/zinc/03/46/36/557034636.db2.gz BQVCAWUJCXBABU-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)cc1 ZINC000046080014 557035296 /nfs/dbraw/zinc/03/52/96/557035296.db2.gz DYFWTHPTVWZFOE-UHFFFAOYSA-N 0 0 427.504 4.974 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)c3ccccc3F)C2)s1 ZINC000046122714 557036327 /nfs/dbraw/zinc/03/63/27/557036327.db2.gz MBSZMYCXPHHIGY-ZDUSSCGKSA-N 0 0 444.919 4.603 50 0 IJAARN C[C@@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181494 557045359 /nfs/dbraw/zinc/04/53/59/557045359.db2.gz RUQKSNZSRCZIAH-JPYJTQIMSA-N 0 0 439.556 4.928 50 0 IJAARN C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181379 557045380 /nfs/dbraw/zinc/04/53/80/557045380.db2.gz IENLYVGTSNQQPQ-MBSDFSHPSA-N 0 0 439.556 4.928 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181728 557045697 /nfs/dbraw/zinc/04/56/97/557045697.db2.gz GBYSIDGCWDOYHF-CYFREDJKSA-N 0 0 441.641 4.705 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc2ccccc2n1 ZINC000048234638 557045989 /nfs/dbraw/zinc/04/59/89/557045989.db2.gz NYGOXIIOTCWZMG-UHFFFAOYSA-N 0 0 438.409 4.878 50 0 IJAARN CCc1sc(-c2nnc(CN3CCN(Cc4nc5ccccc5s4)CC3)o2)cc1C ZINC000022921592 557047421 /nfs/dbraw/zinc/04/74/21/557047421.db2.gz OTFJHGNJLIEMFK-UHFFFAOYSA-N 0 0 439.610 4.596 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1 ZINC000017269410 557048259 /nfs/dbraw/zinc/04/82/59/557048259.db2.gz AQUBGYLTNRLHPB-QGZVFWFLSA-N 0 0 446.576 4.750 50 0 IJAARN CC[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000023046395 557059779 /nfs/dbraw/zinc/05/97/79/557059779.db2.gz RMFCPRDLWAXMOK-IBGZPJMESA-N 0 0 434.540 4.627 50 0 IJAARN O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033279014 557061100 /nfs/dbraw/zinc/06/11/00/557061100.db2.gz VJJSYLSTCARIGH-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)[C@H](OCC(F)(F)F)c2ccccc2)cc1OCC ZINC000048302037 557063106 /nfs/dbraw/zinc/06/31/06/557063106.db2.gz SWBQVBUWASXKHG-MGPUTAFESA-N 0 0 425.447 4.981 50 0 IJAARN Cc1c(O)ccc2c(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)cc(=O)oc12 ZINC000023107380 557063389 /nfs/dbraw/zinc/06/33/89/557063389.db2.gz AZNMFJTWMWFAKA-UHFFFAOYSA-N 0 0 432.501 4.540 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5cccs5)nc4sc3c2=O)cc1 ZINC000033284024 557063490 /nfs/dbraw/zinc/06/34/90/557063490.db2.gz MDRUXJMPPWCHOR-UHFFFAOYSA-N 0 0 432.530 4.682 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC=CC[C@H]1c1nc3ccccc3s1)CC2 ZINC000048302532 557063680 /nfs/dbraw/zinc/06/36/80/557063680.db2.gz RQNSQXKYTQEQQF-MOPGFXCFSA-N 0 0 434.561 4.948 50 0 IJAARN COC(=O)c1cc(OC(=O)/C=C\c2ccccc2)c2c(c1)Oc1nc3ccccc3nc1O2 ZINC000033286941 557064469 /nfs/dbraw/zinc/06/44/69/557064469.db2.gz PTBFZZDQYQPQRT-QXMHVHEDSA-N 0 0 440.411 4.933 50 0 IJAARN CN(c1ccccc1)c1nc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000033287436 557064649 /nfs/dbraw/zinc/06/46/49/557064649.db2.gz XTUSIBRIDLGUIV-UHFFFAOYSA-N 0 0 436.874 4.596 50 0 IJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 ZINC000033288284 557065553 /nfs/dbraw/zinc/06/55/53/557065553.db2.gz YCKUEXUHKMNMTN-OAQYLSRUSA-N 0 0 444.579 4.931 50 0 IJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 ZINC000033288283 557065589 /nfs/dbraw/zinc/06/55/89/557065589.db2.gz YCKUEXUHKMNMTN-NRFANRHFSA-N 0 0 444.579 4.931 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048325011 557065944 /nfs/dbraw/zinc/06/59/44/557065944.db2.gz YACTXTHPVAEBSH-LEWJYISDSA-N 0 0 428.561 4.907 50 0 IJAARN COc1cc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc(OC)c1 ZINC000033289029 557066405 /nfs/dbraw/zinc/06/64/05/557066405.db2.gz NEGMPKNGLANTFK-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)cc3)C2)cc1 ZINC000033289126 557066442 /nfs/dbraw/zinc/06/64/42/557066442.db2.gz AROAHQLUUFLJIW-UNMCSNQZSA-N 0 0 430.552 4.980 50 0 IJAARN CC[C@H](C(=O)N1CCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000033282252 557067824 /nfs/dbraw/zinc/06/78/24/557067824.db2.gz OBXUCVHPMIUNEY-XZOQPEGZSA-N 0 0 447.604 4.654 50 0 IJAARN CSc1ccc(CCNC(=O)c2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc1 ZINC000033283732 557068574 /nfs/dbraw/zinc/06/85/74/557068574.db2.gz ZRICXIGXPQSHGV-UHFFFAOYSA-N 0 0 436.562 4.863 50 0 IJAARN Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCOCC2)cc1 ZINC000023153885 557069845 /nfs/dbraw/zinc/06/98/45/557069845.db2.gz SLJWSAQZYIFCID-UHFFFAOYSA-N 0 0 447.970 4.875 50 0 IJAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000033291876 557070117 /nfs/dbraw/zinc/07/01/17/557070117.db2.gz BTZCICIOCJOSRU-UHFFFAOYSA-N 0 0 438.940 4.695 50 0 IJAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4cccc(C)c4)no3)c2C)c(C)o1 ZINC000033296946 557072906 /nfs/dbraw/zinc/07/29/06/557072906.db2.gz RIHNJGLWMBRTQB-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCOc2ccc(COCc3ccccc3)cc2C1 ZINC000033297508 557073218 /nfs/dbraw/zinc/07/32/18/557073218.db2.gz JQVOOPZFYVVCBD-UHFFFAOYSA-N 0 0 443.952 4.640 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000033297865 557073525 /nfs/dbraw/zinc/07/35/25/557073525.db2.gz QLPCSDFFICZAFX-MLPAPPSSSA-N 0 0 445.928 4.956 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033297922 557073883 /nfs/dbraw/zinc/07/38/83/557073883.db2.gz CUBFACOSFCDDKT-FLIBITNWSA-N 0 0 439.537 4.920 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000023221950 557074260 /nfs/dbraw/zinc/07/42/60/557074260.db2.gz ZHZLJLJWMMCRGN-UHFFFAOYSA-N 0 0 430.464 4.867 50 0 IJAARN CC1CCN(C(=O)[C@H](NCC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC000048365921 557075020 /nfs/dbraw/zinc/07/50/20/557075020.db2.gz DQNXPGSGSGJXJR-OAQYLSRUSA-N 0 0 434.367 4.521 50 0 IJAARN O=C(CN1CCC[C@@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259241 557080580 /nfs/dbraw/zinc/08/05/80/557080580.db2.gz NFIWHKMMGHPAKP-LJQANCHMSA-N 0 0 440.590 4.951 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)s2)cs1 ZINC000033308401 557088796 /nfs/dbraw/zinc/08/87/96/557088796.db2.gz FXUCOFXNYDDEJT-UHFFFAOYSA-N 0 0 447.651 4.616 50 0 IJAARN O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)Nc1cccc2cccnc21 ZINC000049029063 557089012 /nfs/dbraw/zinc/08/90/12/557089012.db2.gz UMMBEZCJAKVJGI-UHFFFAOYSA-N 0 0 447.545 4.744 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382451 557089848 /nfs/dbraw/zinc/08/98/48/557089848.db2.gz APFOGGIDZQTSTG-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)n[nH]2)c1 ZINC000049002330 557090135 /nfs/dbraw/zinc/09/01/35/557090135.db2.gz SXPNBKSQEUVZBR-UHFFFAOYSA-N 0 0 448.548 4.764 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1Cl ZINC000023411323 557091332 /nfs/dbraw/zinc/09/13/32/557091332.db2.gz BGTMNMCTYVWHSL-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccc(I)cc2)n1 ZINC000049004514 557092924 /nfs/dbraw/zinc/09/29/24/557092924.db2.gz QJRICNLOEUUNBA-UHFFFAOYSA-N 0 0 447.276 4.852 50 0 IJAARN Cc1ccc2c(ncc(C(=O)OC(C)C)c2Nc2ccccc2I)n1 ZINC000049004500 557092968 /nfs/dbraw/zinc/09/29/68/557092968.db2.gz YLAKTNZZXLHXAO-UHFFFAOYSA-N 0 0 447.276 4.852 50 0 IJAARN O=C(CN1CCC(c2nnc(-c3ccco3)s2)CC1)Nc1cccc(Cl)c1Cl ZINC000049366569 557094697 /nfs/dbraw/zinc/09/46/97/557094697.db2.gz CYJSKKGUTBCAPA-UHFFFAOYSA-N 0 0 437.352 4.923 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000049401860 557097371 /nfs/dbraw/zinc/09/73/71/557097371.db2.gz RGUIGYCISSLTHX-UHFFFAOYSA-N 0 0 440.906 4.594 50 0 IJAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000017579139 557098501 /nfs/dbraw/zinc/09/85/01/557098501.db2.gz BXSJGJWPFYIETO-HXUWFJFHSA-N 0 0 429.473 4.656 50 0 IJAARN COc1cc2nc(C(C)C)nc(N3CCC(C(C)=O)(c4ccccc4)CC3)c2cc1OC ZINC000085425817 557101913 /nfs/dbraw/zinc/10/19/13/557101913.db2.gz DNGNQHRWBVDYRX-UHFFFAOYSA-N 0 0 433.552 4.898 50 0 IJAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3cccs3)c(-c3cccs3)s1)CS2 ZINC000023682296 557106148 /nfs/dbraw/zinc/10/61/48/557106148.db2.gz YXPHDTQYUODABZ-WLRWDXFRSA-N 0 0 447.632 4.993 50 0 IJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n1 ZINC000023684551 557106533 /nfs/dbraw/zinc/10/65/33/557106533.db2.gz HRAOTWZHIBMXTC-UHFFFAOYSA-N 0 0 430.489 4.506 50 0 IJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(F)cc3)n2)cc1 ZINC000033324981 557107034 /nfs/dbraw/zinc/10/70/34/557107034.db2.gz WXIZJNVRYHFHIJ-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1Cc1ccccc1 ZINC000023700760 557107577 /nfs/dbraw/zinc/10/75/77/557107577.db2.gz SFLWJHOWNFMQKA-UHFFFAOYSA-N 0 0 429.476 4.809 50 0 IJAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)nc(C)n1 ZINC000033326882 557108851 /nfs/dbraw/zinc/10/88/51/557108851.db2.gz ZVJGTOMANRSTIE-UHFFFAOYSA-N 0 0 443.548 4.623 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413724 557109722 /nfs/dbraw/zinc/10/97/22/557109722.db2.gz GNQUKSKWQQUIOF-QFIPXVFZSA-N 0 0 429.476 4.801 50 0 IJAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(COc4cccc(C)c4)n3)c2)cc1 ZINC000033327457 557110057 /nfs/dbraw/zinc/11/00/57/557110057.db2.gz PXHXCDUQPZEVJO-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN Cc1ccc(N2C(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C(=O)[C@H]2C)cc1 ZINC000023743237 557113441 /nfs/dbraw/zinc/11/34/41/557113441.db2.gz FJYYUESXQKPWMF-QGZVFWFLSA-N 0 0 434.565 4.599 50 0 IJAARN Cc1nn(C)c2ncc(C(=O)NC[C@@H](c3c[nH]c4ccccc34)c3ccccc3Cl)cc12 ZINC000023746355 557113941 /nfs/dbraw/zinc/11/39/41/557113941.db2.gz HWCAVBJNYQSCAH-HXUWFJFHSA-N 0 0 443.938 4.973 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1csc(-c2ccccc2)n1 ZINC000049524338 557114540 /nfs/dbraw/zinc/11/45/40/557114540.db2.gz VQDWMCDNYCVJHF-GOSISDBHSA-N 0 0 433.533 4.840 50 0 IJAARN O=C(NCCCc1nc2ccccc2s1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000247449819 557114627 /nfs/dbraw/zinc/11/46/27/557114627.db2.gz ZLUOUMKUVOBBAS-NNWRFLSQSA-N 0 0 447.604 4.819 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000049649105 557117544 /nfs/dbraw/zinc/11/75/44/557117544.db2.gz NTWODENRTYDHHZ-FZKQIMNGSA-N 0 0 426.866 4.991 50 0 IJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc(Br)ccc3Cl)c2C(N)=O)C1 ZINC000001056256 557118341 /nfs/dbraw/zinc/11/83/41/557118341.db2.gz RPEKHRPGRYNYTE-MRVPVSSYSA-N 0 0 427.751 4.640 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc(Cl)c1 ZINC000113626858 557118827 /nfs/dbraw/zinc/11/88/27/557118827.db2.gz PPBCNRTUGHUKKK-OALUTQOASA-N 0 0 426.925 4.526 50 0 IJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004786661 557119845 /nfs/dbraw/zinc/11/98/45/557119845.db2.gz FWSIMTVWMPCFAI-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1 ZINC000000631205 557123153 /nfs/dbraw/zinc/12/31/53/557123153.db2.gz YGEZDQXRCRYNBZ-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NCCC3=CCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799725 557127120 /nfs/dbraw/zinc/12/71/20/557127120.db2.gz XCSPYCRZVXQNDO-AHWVRZQESA-N 0 0 448.563 4.805 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000004800117 557127431 /nfs/dbraw/zinc/12/74/31/557127431.db2.gz YMTDJDGYTKZXLZ-AHWVRZQESA-N 0 0 444.531 4.999 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2ccccc2)cc1 ZINC000023968003 557128387 /nfs/dbraw/zinc/12/83/87/557128387.db2.gz YAYCRADZYCJVAY-TZIWHRDSSA-N 0 0 448.548 4.547 50 0 IJAARN Fc1ccc(-c2csc3ncnc(NCc4ccccc4CN4CCOCC4)c23)cc1 ZINC000023983259 557129653 /nfs/dbraw/zinc/12/96/53/557129653.db2.gz YZVARVHSJBAVHG-UHFFFAOYSA-N 0 0 434.540 4.942 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3C)C2)c2ccccc12 ZINC000017964117 557133453 /nfs/dbraw/zinc/13/34/53/557133453.db2.gz HWQNEVZEKISUPY-PMACEKPBSA-N 0 0 430.548 4.886 50 0 IJAARN Cc1ccc(S(=O)(=O)n2ncc(Sc3ccc(C(C)C)cc3)c(Cl)c2=O)cc1 ZINC000000688142 557135880 /nfs/dbraw/zinc/13/58/80/557135880.db2.gz CEJHCFXWWZFNRP-UHFFFAOYSA-N 0 0 434.970 4.717 50 0 IJAARN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)n1 ZINC000000693474 557137150 /nfs/dbraw/zinc/13/71/50/557137150.db2.gz YDGCHSBLUGGASF-UHFFFAOYSA-N 0 0 444.491 4.521 50 0 IJAARN O=C(CCc1ccsc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132516 557137997 /nfs/dbraw/zinc/13/79/97/557137997.db2.gz LDWYKOGVEDPVDA-UHFFFAOYSA-N 0 0 426.532 4.893 50 0 IJAARN CC(C)c1ccc([C@H](NC(=O)Cc2csc(N3CCCC3=O)n2)c2cccs2)cc1 ZINC000024221160 557141474 /nfs/dbraw/zinc/14/14/74/557141474.db2.gz XRUUPOCBSZPSDR-QFIPXVFZSA-N 0 0 439.606 4.903 50 0 IJAARN Cc1cc(C(=O)N(C)[C@H](C)c2cccs2)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000024236550 557141747 /nfs/dbraw/zinc/14/17/47/557141747.db2.gz NOVMUYMGLLPIIH-GOSISDBHSA-N 0 0 434.627 4.619 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(c2ccccc2Cl)CC1 ZINC000011406002 557142211 /nfs/dbraw/zinc/14/22/11/557142211.db2.gz AJFVWBJXZNSZPY-UHFFFAOYSA-N 0 0 430.335 4.930 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1cccs1 ZINC000009489450 557147088 /nfs/dbraw/zinc/14/70/88/557147088.db2.gz PQQYSVSNHZFDDV-FQEVSTJZSA-N 0 0 434.517 4.682 50 0 IJAARN CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC)c1c2-c1ccc(F)cc1 ZINC000000718938 557148868 /nfs/dbraw/zinc/14/88/68/557148868.db2.gz CLPHSOPBEOLHDK-UHFFFAOYSA-N 0 0 426.400 4.503 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc(Br)c1 ZINC000011451247 557150126 /nfs/dbraw/zinc/15/01/26/557150126.db2.gz IZBFPYBGOKRMAJ-UHFFFAOYSA-N 0 0 428.311 4.710 50 0 IJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(OC(C)=O)cc21 ZINC000000725045 557153291 /nfs/dbraw/zinc/15/32/91/557153291.db2.gz RKKXDBXPBMUKMA-UHFFFAOYSA-N 0 0 430.298 4.863 50 0 IJAARN Cc1ccc(CC(Cc2ccc(C)cc2)N(C)C(=O)c2cccc(CS(C)(=O)=O)c2)cc1 ZINC000072295409 557162616 /nfs/dbraw/zinc/16/26/16/557162616.db2.gz LGESOLJBLOLQHU-UHFFFAOYSA-N 0 0 449.616 4.774 50 0 IJAARN Cc1cccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C ZINC000024755558 557162927 /nfs/dbraw/zinc/16/29/27/557162927.db2.gz MLORNZGWURWJLE-UHFFFAOYSA-N 0 0 440.897 4.521 50 0 IJAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cc(F)ccc4s3)n2)cc1 ZINC000024781156 557167352 /nfs/dbraw/zinc/16/73/52/557167352.db2.gz HEPLGNDUXMGASM-UHFFFAOYSA-N 0 0 447.538 4.788 50 0 IJAARN CCCCn1c(=O)[nH]nc1S[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000024793943 557168058 /nfs/dbraw/zinc/16/80/58/557168058.db2.gz QHRISNDJTQJVFH-GOSISDBHSA-N 0 0 446.960 4.506 50 0 IJAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206997457 557169534 /nfs/dbraw/zinc/16/95/34/557169534.db2.gz XDDBJJZNNJQCSR-INIZCTEOSA-N 0 0 445.940 4.657 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1OCc1cn2ccccc2n1 ZINC000024925058 557179870 /nfs/dbraw/zinc/17/98/70/557179870.db2.gz DPTQZUQPQKZKPP-UHFFFAOYSA-N 0 0 425.410 4.862 50 0 IJAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000024926410 557180131 /nfs/dbraw/zinc/18/01/31/557180131.db2.gz IEFZQYUZVINKDL-UHFFFAOYSA-N 0 0 425.539 4.579 50 0 IJAARN O=C(NCCc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 ZINC000009264895 557182863 /nfs/dbraw/zinc/18/28/63/557182863.db2.gz WVICLGPFPLEFJN-UHFFFAOYSA-N 0 0 432.524 4.671 50 0 IJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000000786314 557183099 /nfs/dbraw/zinc/18/30/99/557183099.db2.gz LADCNFRLMAVDHM-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000024968594 557183347 /nfs/dbraw/zinc/18/33/47/557183347.db2.gz GGBLKDSTTYPFFM-LLVKDONJSA-N 0 0 425.905 4.754 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)ccc2ccccc21 ZINC000009306058 557186044 /nfs/dbraw/zinc/18/60/44/557186044.db2.gz CSQCXXFCCJYJKZ-UZLBHIALSA-N 0 0 438.597 4.643 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)ccc2ccccc21 ZINC000009306061 557186117 /nfs/dbraw/zinc/18/61/17/557186117.db2.gz LWXOGXXCGWYJQW-SFHVURJKSA-N 0 0 446.576 4.825 50 0 IJAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009306105 557186434 /nfs/dbraw/zinc/18/64/34/557186434.db2.gz QCMBFCOQEATDCZ-HNNXBMFYSA-N 0 0 436.537 4.689 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000100869059 557193574 /nfs/dbraw/zinc/19/35/74/557193574.db2.gz ZOUSQWWRNUCDRR-INIZCTEOSA-N 0 0 432.119 4.859 50 0 IJAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000100891987 557198661 /nfs/dbraw/zinc/19/86/61/557198661.db2.gz BDLOFNBNMNAGLG-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096316741 557198812 /nfs/dbraw/zinc/19/88/12/557198812.db2.gz NUAVGVYLYCJSFS-UHFFFAOYSA-N 0 0 448.533 4.652 50 0 IJAARN COc1ccccc1NC(=O)c1sc2ncn(Cc3cccc(Cl)c3)c(=O)c2c1C ZINC000000791266 557198964 /nfs/dbraw/zinc/19/89/64/557198964.db2.gz XFDMLBXLQSNDGP-UHFFFAOYSA-N 0 0 439.924 4.729 50 0 IJAARN CCOCCCNc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 ZINC000010978629 557200788 /nfs/dbraw/zinc/20/07/88/557200788.db2.gz YULBMTQIFYGRAI-UHFFFAOYSA-N 0 0 425.579 4.923 50 0 IJAARN Clc1ccc(CCNc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000025265917 557201836 /nfs/dbraw/zinc/20/18/36/557201836.db2.gz AMZJSNZJGKGXCI-UHFFFAOYSA-N 0 0 443.016 4.710 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000025392960 557207504 /nfs/dbraw/zinc/20/75/04/557207504.db2.gz NEXSLRBGBQFPIW-UHFFFAOYSA-N 0 0 427.448 4.524 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2c(C)nn(-c3ccccc3)c2C)cc1Cl ZINC000011604620 557207933 /nfs/dbraw/zinc/20/79/33/557207933.db2.gz AAZOYMJOONTVQD-UHFFFAOYSA-N 0 0 431.945 4.891 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000011613144 557208921 /nfs/dbraw/zinc/20/89/21/557208921.db2.gz DCXQEJYWJWJTSF-UHFFFAOYSA-N 0 0 448.588 4.983 50 0 IJAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1 ZINC000011613174 557209242 /nfs/dbraw/zinc/20/92/42/557209242.db2.gz XIJFSIMOOVEVHG-UHFFFAOYSA-N 0 0 434.561 4.704 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097161341 557212724 /nfs/dbraw/zinc/21/27/24/557212724.db2.gz XFVJOUFDUOJIME-LJQANCHMSA-N 0 0 433.430 4.630 50 0 IJAARN Clc1ccc2c(c1)SCc1ccccc1/C2=C/CN1CCN(c2ncccn2)CC1 ZINC000025578939 557215683 /nfs/dbraw/zinc/21/56/83/557215683.db2.gz XDSKKBGRKKLGMI-WNFQYIGGSA-N 0 0 434.996 4.990 50 0 IJAARN CCCc1ccc(-c2csc(NC(=O)CSc3nncn3Cc3ccco3)n2)cc1 ZINC000025593231 557218058 /nfs/dbraw/zinc/21/80/58/557218058.db2.gz JPPXTJFEKQTIGL-UHFFFAOYSA-N 0 0 439.566 4.726 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OC(=O)CN3C(=O)CSc4ccccc43)c2n1 ZINC000025721232 557223614 /nfs/dbraw/zinc/22/36/14/557223614.db2.gz LMHFDSQWGWWMEJ-UHFFFAOYSA-N 0 0 433.316 4.894 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)SCc1ccc(Br)cc1 ZINC000011657789 557227273 /nfs/dbraw/zinc/22/72/73/557227273.db2.gz MLKGDPRXUKRRNL-LBPRGKRZSA-N 0 0 437.359 4.677 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025811670 557227449 /nfs/dbraw/zinc/22/74/49/557227449.db2.gz ZCWJEWAKZDACIA-HSZRJFAPSA-N 0 0 425.481 4.527 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C=CC(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000011319736 557228507 /nfs/dbraw/zinc/22/85/07/557228507.db2.gz WTRHMMAHUQAPMC-OUKQBFOZSA-N 0 0 427.504 4.777 50 0 IJAARN C[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(C2CCCCC2)no1 ZINC000072303759 557229664 /nfs/dbraw/zinc/22/96/64/557229664.db2.gz LEXXLSGTJSWYNG-CYBMUJFWSA-N 0 0 444.333 4.557 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl ZINC000098073013 557233133 /nfs/dbraw/zinc/23/31/33/557233133.db2.gz GLJVNWIGYSAJJU-UHFFFAOYSA-N 0 0 444.656 4.931 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000026090024 557233933 /nfs/dbraw/zinc/23/39/33/557233933.db2.gz QAJYSXWRXDSSCU-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN COc1ccc(OCc2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000026103236 557234487 /nfs/dbraw/zinc/23/44/87/557234487.db2.gz PDYQJXAZBFECHQ-XMMPIXPASA-N 0 0 427.504 4.805 50 0 IJAARN CC(=O)Nc1cccc(-n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nnc2C2CC2)c1 ZINC000026143621 557236337 /nfs/dbraw/zinc/23/63/37/557236337.db2.gz YMXLLMOWDJJRPF-GFCCVEGCSA-N 0 0 426.546 4.637 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1 ZINC000032950540 557236377 /nfs/dbraw/zinc/23/63/77/557236377.db2.gz SMBAGJPOILMYRC-UHFFFAOYSA-N 0 0 440.613 4.608 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000011002063 557237783 /nfs/dbraw/zinc/23/77/83/557237783.db2.gz KXZBLGHTSNLILQ-FQEVSTJZSA-N 0 0 432.495 4.896 50 0 IJAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000026309700 557238983 /nfs/dbraw/zinc/23/89/83/557238983.db2.gz LLIWPILTHVESJA-UHFFFAOYSA-N 0 0 439.559 4.744 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)Cn2cc(C(=O)OC)c3ccccc32)cc1 ZINC000026392717 557240453 /nfs/dbraw/zinc/24/04/53/557240453.db2.gz YYRWMTFWCOGFLT-UHFFFAOYSA-N 0 0 441.531 4.614 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000026435080 557241024 /nfs/dbraw/zinc/24/10/24/557241024.db2.gz JQCGZWLZFCKYSA-HNNXBMFYSA-N 0 0 440.594 4.604 50 0 IJAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000018150828 557243205 /nfs/dbraw/zinc/24/32/05/557243205.db2.gz YLPRMZKNJHMPAP-UHFFFAOYSA-N 0 0 436.483 4.514 50 0 IJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2ccccc2s1 ZINC000018186611 557246677 /nfs/dbraw/zinc/24/66/77/557246677.db2.gz DAWGTVSLJXXPNY-UHFFFAOYSA-N 0 0 430.580 4.939 50 0 IJAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1 ZINC000027017588 557254295 /nfs/dbraw/zinc/25/42/95/557254295.db2.gz UYGFBSBQKWQMPW-OWSFEGEDSA-N 0 0 445.906 4.736 50 0 IJAARN CCn1c(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs/c1=N\c1ccccc1 ZINC000027020362 557254865 /nfs/dbraw/zinc/25/48/65/557254865.db2.gz FFOLMRASFGQVQH-VHXPQNKSSA-N 0 0 441.622 4.890 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C ZINC000000815727 557256024 /nfs/dbraw/zinc/25/60/24/557256024.db2.gz PBZTXLMYZHBCCF-UHFFFAOYSA-N 0 0 429.505 4.884 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000027082130 557256544 /nfs/dbraw/zinc/25/65/44/557256544.db2.gz NBOLFTBHXRSZGL-YKSBVNFPSA-N 0 0 444.918 4.851 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000027161253 557258536 /nfs/dbraw/zinc/25/85/36/557258536.db2.gz KBNSSVQXCUFXCJ-URXFXBBRSA-N 0 0 438.543 4.830 50 0 IJAARN O=C(CCSc1nc2ccccc2s1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027245383 557259384 /nfs/dbraw/zinc/25/93/84/557259384.db2.gz GDOSZKHANHYAGT-MRXNPFEDSA-N 0 0 425.579 4.656 50 0 IJAARN O=C(CCSc1nc2ccccc2s1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027245389 557259401 /nfs/dbraw/zinc/25/94/01/557259401.db2.gz GDOSZKHANHYAGT-INIZCTEOSA-N 0 0 425.579 4.656 50 0 IJAARN O=C(COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1 ZINC000100394771 557259971 /nfs/dbraw/zinc/25/99/71/557259971.db2.gz XIAWKANNUUCSBD-CALCHBBNSA-N 0 0 432.303 4.935 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000027399997 557261842 /nfs/dbraw/zinc/26/18/42/557261842.db2.gz FMLNLMXCKXJSQI-QFIPXVFZSA-N 0 0 447.487 4.725 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072271218 557264695 /nfs/dbraw/zinc/26/46/95/557264695.db2.gz FBULOQBAJCNJQP-GOSISDBHSA-N 0 0 448.592 4.778 50 0 IJAARN C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000027561774 557265553 /nfs/dbraw/zinc/26/55/53/557265553.db2.gz PVAMIUAGHCODQA-WINIVTDRSA-N 0 0 449.554 4.697 50 0 IJAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000027576122 557266031 /nfs/dbraw/zinc/26/60/31/557266031.db2.gz OSHLSZWZHGWARN-UHFFFAOYSA-N 0 0 446.482 4.563 50 0 IJAARN CCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)cc1 ZINC000027937279 557266104 /nfs/dbraw/zinc/26/61/04/557266104.db2.gz IOCPWECPQRNHIR-UHFFFAOYSA-N 0 0 432.240 4.579 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)no2)cc1 ZINC000027662159 557268548 /nfs/dbraw/zinc/26/85/48/557268548.db2.gz YVRHBLNYIUAXCL-UHFFFAOYSA-N 0 0 447.516 4.727 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000027680670 557271282 /nfs/dbraw/zinc/27/12/82/557271282.db2.gz QMKWLIKCYYKZBP-OAHLLOKOSA-N 0 0 433.537 4.655 50 0 IJAARN Cc1cccc(-n2ncnc2-c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1C ZINC000032955183 557271583 /nfs/dbraw/zinc/27/15/83/557271583.db2.gz XBGGEQVTILREJX-UHFFFAOYSA-N 0 0 438.531 4.857 50 0 IJAARN COc1ccc(-c2cn3c(n2)c(=C2CCCCCN2)c(=O)n3-c2ccccc2)cc1OC ZINC000100726245 557271734 /nfs/dbraw/zinc/27/17/34/557271734.db2.gz CJLXXMCKWBVFGJ-UHFFFAOYSA-N 0 0 430.508 4.878 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OCC)cc3)on1)CCC2 ZINC000027744738 557272467 /nfs/dbraw/zinc/27/24/67/557272467.db2.gz ILHJQKIXXBWXGX-UHFFFAOYSA-N 0 0 426.494 4.720 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078805 557275508 /nfs/dbraw/zinc/27/55/08/557275508.db2.gz BPYKMXLSBNRPAU-UHFFFAOYSA-N 0 0 448.906 4.972 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@@H]1c1ccccc1Cl ZINC000101400469 557280146 /nfs/dbraw/zinc/28/01/46/557280146.db2.gz OCMQCAJVBNPVBI-HXUWFJFHSA-N 0 0 447.988 4.640 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101404444 557282999 /nfs/dbraw/zinc/28/29/99/557282999.db2.gz WBBIHZDZFADHHK-OAQYLSRUSA-N 0 0 445.560 4.516 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)NC(C)(C)C)=CSC2=N1 ZINC000101399151 557283414 /nfs/dbraw/zinc/28/34/14/557283414.db2.gz SZXUFVXOMDSXPA-NRFANRHFSA-N 0 0 441.597 4.746 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N[C@@H](C)CC)=CSC2=N1 ZINC000101394775 557283463 /nfs/dbraw/zinc/28/34/63/557283463.db2.gz NCQUGXRIHQWCJI-RNODOKPDSA-N 0 0 447.988 4.783 50 0 IJAARN O=C(Cc1csc(-c2cc(Br)cs2)n1)NNc1cccc(Cl)c1 ZINC000095361003 557295985 /nfs/dbraw/zinc/29/59/85/557295985.db2.gz BRFYNCZUTZUVEG-UHFFFAOYSA-N 0 0 428.764 4.973 50 0 IJAARN COc1cccc(-c2nc(CSc3nnc(Cc4cccs4)n3C)cs2)c1OC ZINC000014075377 557296949 /nfs/dbraw/zinc/29/69/49/557296949.db2.gz GGSHHZVMYSGSFR-UHFFFAOYSA-N 0 0 444.607 4.900 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827684 557299562 /nfs/dbraw/zinc/29/95/62/557299562.db2.gz NPXXUBMOPBVKSH-GASCZTMLSA-N 0 0 434.927 4.590 50 0 IJAARN Nn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000014084556 557299917 /nfs/dbraw/zinc/29/99/17/557299917.db2.gz YVYHGEAJHKEFPC-UHFFFAOYSA-N 0 0 449.967 4.634 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828411 557300061 /nfs/dbraw/zinc/30/00/61/557300061.db2.gz CUJYSMOJSUKMFJ-SFHVURJKSA-N 0 0 436.515 4.570 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1C ZINC000101880450 557304669 /nfs/dbraw/zinc/30/46/69/557304669.db2.gz OGCMDJIHDAXYQW-UHFFFAOYSA-N 0 0 430.483 4.642 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)cc1 ZINC000101881362 557305312 /nfs/dbraw/zinc/30/53/12/557305312.db2.gz ANYDOAVFJWHQBR-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)c1 ZINC000102682062 557305519 /nfs/dbraw/zinc/30/55/19/557305519.db2.gz JFAOHFRJMNEERR-AGRHKRQWSA-N 0 0 430.430 4.849 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCC[C@@H]1c1cccnc1 ZINC000102795514 557308379 /nfs/dbraw/zinc/30/83/79/557308379.db2.gz IRPULAJQASJBJI-SCTDSRPQSA-N 0 0 445.445 4.899 50 0 IJAARN COc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)c1 ZINC000101947942 557308644 /nfs/dbraw/zinc/30/86/44/557308644.db2.gz BGXREPAIWYXLCG-UHFFFAOYSA-N 0 0 433.533 4.870 50 0 IJAARN COc1cc(/C=C/C(=O)OC[C@@H]2CC2(Cl)Cl)ccc1OCc1c(C)noc1C ZINC000023220771 557313495 /nfs/dbraw/zinc/31/34/95/557313495.db2.gz HUBSNJKHYWSMQW-ZKKXHLJNSA-N 0 0 426.296 4.629 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000014200507 557317326 /nfs/dbraw/zinc/31/73/26/557317326.db2.gz RYUBAEUDJNXGOC-LBPRGKRZSA-N 0 0 446.326 4.821 50 0 IJAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032932862 557318580 /nfs/dbraw/zinc/31/85/80/557318580.db2.gz PBRAKFUKBUVVSH-KRWDZBQOSA-N 0 0 435.549 4.859 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ncccc1C ZINC000033013255 557320935 /nfs/dbraw/zinc/32/09/35/557320935.db2.gz JTIVTXJZXOLTSD-UHFFFAOYSA-N 0 0 430.464 4.523 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccccc1Sc1c(CC)c(C)nc2ncnn21 ZINC000032995754 557322016 /nfs/dbraw/zinc/32/20/16/557322016.db2.gz WZGCRLOBSSAVSN-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1cccc(F)c1 ZINC000033036394 557322543 /nfs/dbraw/zinc/32/25/43/557322543.db2.gz QWOMCOMCLVDOIO-UHFFFAOYSA-N 0 0 435.322 4.532 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1Cl ZINC000014226465 557323234 /nfs/dbraw/zinc/32/32/34/557323234.db2.gz WGDPYZCAKREQAN-UHFFFAOYSA-N 0 0 439.320 4.626 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1OC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251065 557327268 /nfs/dbraw/zinc/32/72/68/557327268.db2.gz AHTKFSVDLYLPFS-MRXNPFEDSA-N 0 0 433.430 4.631 50 0 IJAARN CCOc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033271771 557328650 /nfs/dbraw/zinc/32/86/50/557328650.db2.gz QGBSSIVQRCHXSM-UHFFFAOYSA-N 0 0 445.376 4.600 50 0 IJAARN COc1cccc(-c2nc3c(s2)CN(C(=O)c2ccc(Br)cc2)CC3)c1 ZINC000033255873 557329367 /nfs/dbraw/zinc/32/93/67/557329367.db2.gz TZAHEOCNYGENIU-UHFFFAOYSA-N 0 0 429.339 4.780 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000033400963 557334173 /nfs/dbraw/zinc/33/41/73/557334173.db2.gz YPRUJQAKQPGJSV-IZIDJEDMSA-N 0 0 440.565 4.769 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1OC ZINC000014367065 557336077 /nfs/dbraw/zinc/33/60/77/557336077.db2.gz NEXNFKOWJSCVSD-UHFFFAOYSA-N 0 0 434.370 4.820 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000102529805 557341043 /nfs/dbraw/zinc/34/10/43/557341043.db2.gz CCCBOBZEYHXNGQ-UHFFFAOYSA-N 0 0 431.467 4.721 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000102530447 557342596 /nfs/dbraw/zinc/34/25/96/557342596.db2.gz BLODBJIIETWYEK-UHFFFAOYSA-N 0 0 447.922 4.523 50 0 IJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc(Cl)c2)cc1OC ZINC000014610760 557345373 /nfs/dbraw/zinc/34/53/73/557345373.db2.gz YNNLGIPFXJDBBL-UHFFFAOYSA-N 0 0 438.871 4.509 50 0 IJAARN Cc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc(Br)c2)c1 ZINC000014610990 557345457 /nfs/dbraw/zinc/34/54/57/557345457.db2.gz WZINSPBIJHILHP-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000014632778 557346110 /nfs/dbraw/zinc/34/61/10/557346110.db2.gz WAADYRNZWMZHCQ-UHFFFAOYSA-N 0 0 431.989 4.883 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C(C)C)c(C)c1 ZINC000013568865 557347566 /nfs/dbraw/zinc/34/75/66/557347566.db2.gz BIPDXTGGHPCNKP-UHFFFAOYSA-N 0 0 428.533 4.925 50 0 IJAARN O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(-c2onc3c2CCCC3)cc1 ZINC000023333900 557347937 /nfs/dbraw/zinc/34/79/37/557347937.db2.gz ANSMNITUMADXIT-UHFFFAOYSA-N 0 0 438.352 4.933 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(C)c1 ZINC000023351776 557350676 /nfs/dbraw/zinc/35/06/76/557350676.db2.gz JESSEFSRGJQXAZ-FQEVSTJZSA-N 0 0 434.609 4.572 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023441586 557357971 /nfs/dbraw/zinc/35/79/71/557357971.db2.gz ROKKQZGVNXGTQU-HSZRJFAPSA-N 0 0 427.422 4.909 50 0 IJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC ZINC000023442591 557358306 /nfs/dbraw/zinc/35/83/06/557358306.db2.gz RKGVZIRTMSCHTG-RUZDIDTESA-N 0 0 448.519 4.901 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1)n2Cc1ccccn1 ZINC000023458973 557359831 /nfs/dbraw/zinc/35/98/31/557359831.db2.gz BOOPJKKVDVUPFA-UHFFFAOYSA-N 0 0 433.533 4.957 50 0 IJAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000102667599 557362557 /nfs/dbraw/zinc/36/25/57/557362557.db2.gz DJQZXHBCWNXVGU-WAIKUNEKSA-N 0 0 446.507 4.678 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102674858 557363164 /nfs/dbraw/zinc/36/31/64/557363164.db2.gz JHZXHPQSFUGVKS-IVZQSRNASA-N 0 0 446.507 4.678 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102674852 557363227 /nfs/dbraw/zinc/36/32/27/557363227.db2.gz JHZXHPQSFUGVKS-NYHFZMIOSA-N 0 0 446.507 4.678 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N(C)c2ccc(F)cc2)c1 ZINC000072328269 557364812 /nfs/dbraw/zinc/36/48/12/557364812.db2.gz ULESBBWXLVLLJT-UHFFFAOYSA-N 0 0 439.537 4.650 50 0 IJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)n1 ZINC000220793268 557366486 /nfs/dbraw/zinc/36/64/86/557366486.db2.gz HHUJFYFTPHFTOG-IBGZPJMESA-N 0 0 441.535 4.540 50 0 IJAARN COc1cc(OC)c([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000102680119 557368180 /nfs/dbraw/zinc/36/81/80/557368180.db2.gz HZGYOKGRMQUJSN-OAQYLSRUSA-N 0 0 447.491 4.818 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1 ZINC000011689946 557368475 /nfs/dbraw/zinc/36/84/75/557368475.db2.gz SBYAJWWMMXKLBC-UHFFFAOYSA-N 0 0 437.459 4.839 50 0 IJAARN COc1cc(CN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc(OC)c1OC ZINC000102723778 557369159 /nfs/dbraw/zinc/36/91/59/557369159.db2.gz KFBCYFYFFIEVDK-UHFFFAOYSA-N 0 0 437.521 4.598 50 0 IJAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220929702 557371152 /nfs/dbraw/zinc/37/11/52/557371152.db2.gz XWZBMAXODQVXDK-ZDUSSCGKSA-N 0 0 426.523 4.610 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220923632 557371251 /nfs/dbraw/zinc/37/12/51/557371251.db2.gz KPEGOAAVUPTMQO-HNNXBMFYSA-N 0 0 435.471 4.841 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cc(OC)cc(OC)c3)C2)cc1 ZINC000102745052 557377667 /nfs/dbraw/zinc/37/76/67/557377667.db2.gz LKHWEYKXPUEDCQ-JLCFBVMHSA-N 0 0 448.479 4.724 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000102737531 557379934 /nfs/dbraw/zinc/37/99/34/557379934.db2.gz MKQVRACFRHRUGC-NYHFZMIOSA-N 0 0 448.479 4.724 50 0 IJAARN Cc1c(OCC(=O)N2CCc3ccccc3C2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000011692373 557388303 /nfs/dbraw/zinc/38/83/03/557388303.db2.gz PMCUALIKUAETRV-UHFFFAOYSA-N 0 0 425.484 4.732 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000013955797 557397445 /nfs/dbraw/zinc/39/74/45/557397445.db2.gz DMGCCLURLFNNCT-UHFFFAOYSA-N 0 0 440.544 4.626 50 0 IJAARN CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000105117676 557476189 /nfs/dbraw/zinc/47/61/89/557476189.db2.gz ZHJHWQJOQPSQLR-FVQSIRDASA-N 0 0 437.367 4.537 50 0 IJAARN CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2CC ZINC000036613634 557516835 /nfs/dbraw/zinc/51/68/35/557516835.db2.gz UEMBKMSLYUNGQM-UHFFFAOYSA-N 0 0 436.947 4.535 50 0 IJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C[C@@H](C)CC2 ZINC000012064236 557526189 /nfs/dbraw/zinc/52/61/89/557526189.db2.gz NIBOJEBPSXLKDE-HNNXBMFYSA-N 0 0 432.545 4.716 50 0 IJAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)c1 ZINC000012062311 557526398 /nfs/dbraw/zinc/52/63/98/557526398.db2.gz LVTCGAKGTIOUIM-GOSISDBHSA-N 0 0 439.581 4.617 50 0 IJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1OC ZINC000106428184 557529263 /nfs/dbraw/zinc/52/92/63/557529263.db2.gz IQEICOKARDJQSB-SFHVURJKSA-N 0 0 449.429 4.900 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cnc2c3cccnc3sc2c1=O ZINC000045895651 557546530 /nfs/dbraw/zinc/54/65/30/557546530.db2.gz YDAXXFNFJGNYMW-CQSZACIVSA-N 0 0 432.427 4.615 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2ccc(F)cc2C)c1C ZINC000045900583 557547035 /nfs/dbraw/zinc/54/70/35/557547035.db2.gz GARQPSOPOUNAQK-UHFFFAOYSA-N 0 0 440.862 4.997 50 0 IJAARN COc1ccc(CCNc2nc3ccccc3nc2C(=O)OCc2ccccc2)cc1OC ZINC000045960976 557555080 /nfs/dbraw/zinc/55/50/80/557555080.db2.gz JTWOWDOQBAERLH-UHFFFAOYSA-N 0 0 443.503 4.659 50 0 IJAARN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc2sc(N3CCCC3)nc2s1 ZINC000225422001 557721423 /nfs/dbraw/zinc/72/14/23/557721423.db2.gz WXWNSUUIGHLYRT-GFCCVEGCSA-N 0 0 442.393 4.728 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cnc4ccccc4n3)C2)cc1OC ZINC000225505583 557731577 /nfs/dbraw/zinc/73/15/77/557731577.db2.gz AWDVAGFPDXKCBP-HXUWFJFHSA-N 0 0 444.516 4.700 50 0 IJAARN CC(C)Oc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000225852255 557785501 /nfs/dbraw/zinc/78/55/01/557785501.db2.gz NELRONPRYMNAOY-UHFFFAOYSA-N 0 0 438.446 4.888 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000226828124 557809697 /nfs/dbraw/zinc/80/96/97/557809697.db2.gz IMAMIZIOEHBMBJ-UBFVSLLYSA-N 0 0 437.499 4.836 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)c2cc(C)sc2C)n1Cc1ccccc1)N(C)C ZINC000024984481 557828728 /nfs/dbraw/zinc/82/87/28/557828728.db2.gz QDYFYOXLTIXQBQ-LJQANCHMSA-N 0 0 428.627 4.992 50 0 IJAARN O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1c1ccc(I)cc1 ZINC000002840950 557841514 /nfs/dbraw/zinc/84/15/14/557841514.db2.gz QTFWMMMXNHSOTM-UHFFFAOYSA-N 0 0 433.632 4.898 50 0 IJAARN Cc1ccccc1[C@H](C)c1noc(C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 ZINC000238900506 557841942 /nfs/dbraw/zinc/84/19/42/557841942.db2.gz JAKHOIQZHZPZFC-KRWDZBQOSA-N 0 0 443.544 4.546 50 0 IJAARN CC[C@H](NC(=O)N1c2cc(C)c(C)cc2C(C)=CC1(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239038572 557842565 /nfs/dbraw/zinc/84/25/65/557842565.db2.gz DMFZBFSDPYBGJX-WOIUINJBSA-N 0 0 437.584 4.926 50 0 IJAARN Cc1ccccc1S(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000240756939 557845732 /nfs/dbraw/zinc/84/57/32/557845732.db2.gz HVPAETZWCKJAIG-FQEVSTJZSA-N 0 0 434.546 4.540 50 0 IJAARN COc1c(NC(=O)c2cc3cc(C)cc(Br)c3o2)cc(Cl)cc1C(N)=O ZINC000242339356 557847719 /nfs/dbraw/zinc/84/77/19/557847719.db2.gz ZHCYPOVKSBTBRF-UHFFFAOYSA-N 0 0 437.677 4.517 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)cc1 ZINC000000878124 557848686 /nfs/dbraw/zinc/84/86/86/557848686.db2.gz UBDAZSBQOMHZKR-UHFFFAOYSA-N 0 0 444.560 4.563 50 0 IJAARN COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000025049227 557856682 /nfs/dbraw/zinc/85/66/82/557856682.db2.gz BNALCEQQFNSDRP-UHFFFAOYSA-N 0 0 430.533 4.567 50 0 IJAARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCOCC4)c(N)c32)cc1 ZINC000000892339 557860470 /nfs/dbraw/zinc/86/04/70/557860470.db2.gz ZYYPPJNYXKVBJJ-UHFFFAOYSA-N 0 0 445.544 4.694 50 0 IJAARN COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000901046 562919563 /nfs/dbraw/zinc/91/95/63/562919563.db2.gz ODPKYFRGIZHQLV-AWEZNQCLSA-N 0 0 447.482 4.968 50 0 IJAARN O=C1S/C(=C/c2ccccc2)C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000974961 562919903 /nfs/dbraw/zinc/91/99/03/562919903.db2.gz JJTLVOAJHVEQNZ-TTXZLZEXSA-N 0 0 428.513 4.892 50 0 IJAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)OCC(F)(F)F ZINC000001075744 562920335 /nfs/dbraw/zinc/92/03/35/562920335.db2.gz SPRRXHSRYFFKFG-HZPDHXFCSA-N 0 0 444.881 4.700 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3)n2)cc1Br ZINC000002429881 562927601 /nfs/dbraw/zinc/92/76/01/562927601.db2.gz PSFCRBUUEMMWBY-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C ZINC000002641450 562929078 /nfs/dbraw/zinc/92/90/78/562929078.db2.gz AYBNPXPWXDZLKJ-UHFFFAOYSA-N 0 0 434.521 4.709 50 0 IJAARN COc1ccc(CCNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000002651688 562929367 /nfs/dbraw/zinc/92/93/67/562929367.db2.gz WPBXPDKROTXKRS-HSZRJFAPSA-N 0 0 436.939 4.569 50 0 IJAARN CCc1cccc(CC)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000002653158 562929391 /nfs/dbraw/zinc/92/93/91/562929391.db2.gz XDEODLUUNMJEIT-UHFFFAOYSA-N 0 0 442.515 4.869 50 0 IJAARN COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000002873574 562930333 /nfs/dbraw/zinc/93/03/33/562930333.db2.gz YKFYCOYQMBMOCR-UHFFFAOYSA-N 0 0 442.500 4.737 50 0 aggregator IJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1cccc(Cl)c1 ZINC000002948261 562931044 /nfs/dbraw/zinc/93/10/44/562931044.db2.gz BIAAIZOKYNLQCE-UHFFFAOYSA-N 0 0 436.968 4.866 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002965468 562931262 /nfs/dbraw/zinc/93/12/62/562931262.db2.gz KSKXGTQSAFKPHW-VQTJNVASSA-N 0 0 434.565 4.760 50 0 IJAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1 ZINC000002980186 562931418 /nfs/dbraw/zinc/93/14/18/562931418.db2.gz SIJCUJYJFMKWNG-NRFANRHFSA-N 0 0 433.504 4.531 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000003023980 562931725 /nfs/dbraw/zinc/93/17/25/562931725.db2.gz RXEUYVTWCRUIEM-CYBMUJFWSA-N 0 0 444.450 4.660 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003022574 562931732 /nfs/dbraw/zinc/93/17/32/562931732.db2.gz UKOMPFPDYVJYDJ-UHFFFAOYSA-N 0 0 438.524 4.953 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F ZINC000003023468 562931755 /nfs/dbraw/zinc/93/17/55/562931755.db2.gz RZHPPYAXKATIII-UHFFFAOYSA-N 0 0 445.343 4.950 50 0 IJAARN Cc1ccc(CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040166 562932124 /nfs/dbraw/zinc/93/21/24/562932124.db2.gz HILJVHGYBDQJQZ-UHFFFAOYSA-N 0 0 444.556 4.779 50 0 IJAARN C[C@H](NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000003234573 562933110 /nfs/dbraw/zinc/93/31/10/562933110.db2.gz ZQNCWRZFONRYBD-KRWDZBQOSA-N 0 0 431.517 4.635 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)c(C)c1 ZINC000003320238 562934206 /nfs/dbraw/zinc/93/42/06/562934206.db2.gz PLWIECACBRRSCT-UHFFFAOYSA-N 0 0 447.560 4.558 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000003398661 562935220 /nfs/dbraw/zinc/93/52/20/562935220.db2.gz XTZWQVBFMBELHZ-UHFFFAOYSA-N 0 0 427.456 4.872 50 0 IJAARN COc1ccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 ZINC000003586115 562936583 /nfs/dbraw/zinc/93/65/83/562936583.db2.gz WGBKODZDXBJSKD-UHFFFAOYSA-N 0 0 434.492 4.682 50 0 aggregator IJAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000006198992 562946509 /nfs/dbraw/zinc/94/65/09/562946509.db2.gz FSYLYSSBGQSPHH-LBPRGKRZSA-N 0 0 442.368 4.931 50 0 IJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N[C@@H](C)CCc1ccco1 ZINC000006577847 562947872 /nfs/dbraw/zinc/94/78/72/562947872.db2.gz XHROHCATXCVVOE-INIZCTEOSA-N 0 0 434.515 4.815 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NC2CCC(C)CC2)c1C ZINC000008583618 562949806 /nfs/dbraw/zinc/94/98/06/562949806.db2.gz SILYNJUNMVETEE-UHFFFAOYSA-N 0 0 426.557 4.734 50 0 IJAARN O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCC3)nc12)c1ccc(Cl)cc1 ZINC000008589348 562951192 /nfs/dbraw/zinc/95/11/92/562951192.db2.gz ZAHROOCSESCZMK-UHFFFAOYSA-N 0 0 447.973 4.570 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)N[C@H](C)c4ccccc4)nn3c2C)cc1 ZINC000008591753 562952162 /nfs/dbraw/zinc/95/21/62/562952162.db2.gz VIHNONNXJXFDFZ-QGZVFWFLSA-N 0 0 445.592 4.610 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3C)c2c1 ZINC000008595011 562953136 /nfs/dbraw/zinc/95/31/36/562953136.db2.gz QTFCNGIYSQSGHE-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN COc1cccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)c1 ZINC000008597252 562953951 /nfs/dbraw/zinc/95/39/51/562953951.db2.gz KBWXUGFSWLVXCQ-UHFFFAOYSA-N 0 0 430.957 4.904 50 0 IJAARN CCCNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597322 562954005 /nfs/dbraw/zinc/95/40/05/562954005.db2.gz REZWFPSLMWNOFB-UHFFFAOYSA-N 0 0 440.588 4.743 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccc(F)cc3)c2C)c1-c1ccc(F)cc1 ZINC000008598390 562954255 /nfs/dbraw/zinc/95/42/55/562954255.db2.gz WQUNTGCNFUGQQV-UHFFFAOYSA-N 0 0 434.490 4.849 50 0 IJAARN CCOc1ccccc1CNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000008599605 562954809 /nfs/dbraw/zinc/95/48/09/562954809.db2.gz PNIDOWVJXVQLIT-UHFFFAOYSA-N 0 0 431.517 4.877 50 0 aggregator IJAARN COc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000008599647 562954814 /nfs/dbraw/zinc/95/48/14/562954814.db2.gz VKVJNGHQRHBFPY-VWLOTQADSA-N 0 0 442.515 4.982 50 0 IJAARN Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000008601158 562955254 /nfs/dbraw/zinc/95/52/54/562955254.db2.gz VEWRYRKSTUVKKZ-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1OC ZINC000008604010 562956264 /nfs/dbraw/zinc/95/62/64/562956264.db2.gz SGVQMNCRPHCKGL-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4cccc(SC)c4)cc3c2=O)cc1 ZINC000008605533 562956729 /nfs/dbraw/zinc/95/67/29/562956729.db2.gz FMOVHPPGXZDLGK-UHFFFAOYSA-N 0 0 445.544 4.736 50 0 IJAARN COc1ccc2cc(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000008607318 562957283 /nfs/dbraw/zinc/95/72/83/562957283.db2.gz JDLRJHVOTDPAGR-UHFFFAOYSA-N 0 0 439.515 4.618 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000008609125 562957630 /nfs/dbraw/zinc/95/76/30/562957630.db2.gz OVPVUAVHFNBXBF-SFHVURJKSA-N 0 0 445.950 4.854 50 0 IJAARN CCCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1ccccc1 ZINC000008612148 562959010 /nfs/dbraw/zinc/95/90/10/562959010.db2.gz BHFXRSCHPSUPOO-UHFFFAOYSA-N 0 0 437.525 4.715 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)cc1 ZINC000008612310 562959183 /nfs/dbraw/zinc/95/91/83/562959183.db2.gz VIKJPQOQFXOLTK-UHFFFAOYSA-N 0 0 441.553 4.577 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000008612866 562959326 /nfs/dbraw/zinc/95/93/26/562959326.db2.gz KMJATTASBVBUTG-QHCPKHFHSA-N 0 0 445.471 4.765 50 0 IJAARN Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)[C@@H]3c1cccc(O)c1 ZINC000008612879 562959334 /nfs/dbraw/zinc/95/93/34/562959334.db2.gz RCQYSSNKIUOLIK-HSZRJFAPSA-N 0 0 429.447 5.000 50 0 IJAARN c1ccc(Oc2ccc(-c3ccnc4nc(N5CCN(c6ccccc6)CC5)nn43)cc2)cc1 ZINC000008667190 562960669 /nfs/dbraw/zinc/96/06/69/562960669.db2.gz VIQRLINVXXCPEH-UHFFFAOYSA-N 0 0 448.530 4.910 50 0 IJAARN Cc1sc2nc(CSCC(=O)Nc3c(Cl)cccc3Cl)[nH]c(=O)c2c1C ZINC000008684408 562962174 /nfs/dbraw/zinc/96/21/74/562962174.db2.gz DUQUYPDUZVDSLJ-UHFFFAOYSA-N 0 0 428.366 4.780 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1C1CCCCC1)N(C)C ZINC000008685026 562962317 /nfs/dbraw/zinc/96/23/17/562962317.db2.gz PXDLRGKFCIPOID-FQEVSTJZSA-N 0 0 443.617 4.729 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CCC3CCCCC3)c2)cc1 ZINC000008686575 562962819 /nfs/dbraw/zinc/96/28/19/562962819.db2.gz OUMDQOXLJOJALL-UHFFFAOYSA-N 0 0 446.569 4.804 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008916145 562966050 /nfs/dbraw/zinc/96/60/50/562966050.db2.gz XKCUBMPHRUKEFG-UHFFFAOYSA-N 0 0 431.876 4.600 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cccc(C)c4C)nc23)cc1 ZINC000009116923 562967302 /nfs/dbraw/zinc/96/73/02/562967302.db2.gz POHDEAAAPGXQIK-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)Nc1ccccc1C(F)(F)F ZINC000009365565 562969629 /nfs/dbraw/zinc/96/96/29/562969629.db2.gz XJTGRLHNTILTBR-UHFFFAOYSA-N 0 0 444.504 4.807 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000015943583 563020048 /nfs/dbraw/zinc/02/00/48/563020048.db2.gz DBDRQJIDRPRNNL-SSEXGKCCSA-N 0 0 445.968 4.753 50 0 IJAARN COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O ZINC000037866339 563095840 /nfs/dbraw/zinc/09/58/40/563095840.db2.gz GKNCBQAUZHEXLO-HSZRJFAPSA-N 0 0 442.471 4.577 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000040451069 563103808 /nfs/dbraw/zinc/10/38/08/563103808.db2.gz ZHZMBXWEBZEJJS-VWLOTQADSA-N 0 0 432.545 4.821 50 0 IJAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)NC2CCCCC2)cc1 ZINC000000916878 568637348 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/nfs/dbraw/zinc/79/62/89/568796289.db2.gz OHOUUXHWDCCAJS-ODCIPOBUSA-N 0 0 434.996 4.990 50 0 IJAARN O=C(N(Cc1ccc(Br)cc1)c1ccc(F)cc1F)N1CCC(CO)CC1 ZINC000084398161 568797717 /nfs/dbraw/zinc/79/77/17/568797717.db2.gz QJLSFSCBEWQLSR-UHFFFAOYSA-N 0 0 439.300 4.558 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000015569018 568798502 /nfs/dbraw/zinc/79/85/02/568798502.db2.gz HADDVVZFUWHLPZ-UHFFFAOYSA-N 0 0 433.917 4.918 50 0 IJAARN CCN1c2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc2Sc2ccccc2C1=O ZINC000015671889 568802804 /nfs/dbraw/zinc/80/28/04/568802804.db2.gz RGIFNQYBGDIEJH-UHFFFAOYSA-N 0 0 447.516 4.868 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2c(C)csc2n1 ZINC000015731996 568815117 /nfs/dbraw/zinc/81/51/17/568815117.db2.gz BADBAMWBCRLXNU-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)C(c1ccccc1)c1ccccc1 ZINC000015734180 568816238 /nfs/dbraw/zinc/81/62/38/568816238.db2.gz YDQUCJLPJTXFLA-UHFFFAOYSA-N 0 0 430.529 4.510 50 0 IJAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CC1CC1)C(=O)c1ccccc1Cl ZINC000085405072 568817659 /nfs/dbraw/zinc/81/76/59/568817659.db2.gz NRWRIFUTPQRPBR-UHFFFAOYSA-N 0 0 442.364 4.774 50 0 IJAARN CCOC(=O)c1oc2cc(OC(=O)C(C)C)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001463822 568820013 /nfs/dbraw/zinc/82/00/13/568820013.db2.gz GREBJUBLGJNHBA-UHFFFAOYSA-N 0 0 437.473 4.808 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000015770930 568822375 /nfs/dbraw/zinc/82/23/75/568822375.db2.gz JOYGEHDAQYIPEG-UHFFFAOYSA-N 0 0 445.950 4.865 50 0 IJAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC(C)C)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777218 568823854 /nfs/dbraw/zinc/82/38/54/568823854.db2.gz BEIGIWXHBXJDSN-UHFFFAOYSA-N 0 0 436.552 4.937 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(CC)cc1)CC2 ZINC000015781680 568826038 /nfs/dbraw/zinc/82/60/38/568826038.db2.gz UTDVVZIOWXIOKJ-NRFANRHFSA-N 0 0 440.540 4.741 50 0 IJAARN COc1ccc(CNC(=O)C[C@H]2COc3ccc(Cl)cc3N2Cc2ccccc2)cc1 ZINC000085648764 568830705 /nfs/dbraw/zinc/83/07/05/568830705.db2.gz JIABNGCVCCOHSV-NRFANRHFSA-N 0 0 436.939 4.823 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2cc(OC)cc(OC)c2)C2CCCCC2)c1C ZINC000085711324 568835014 /nfs/dbraw/zinc/83/50/14/568835014.db2.gz UMBWUEMQAFVICF-UHFFFAOYSA-N 0 0 442.556 4.801 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccccc2)c1C ZINC000085711507 568835339 /nfs/dbraw/zinc/83/53/39/568835339.db2.gz YQJMCUCEIIJIEQ-HXUWFJFHSA-N 0 0 434.536 4.805 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000085703913 568835356 /nfs/dbraw/zinc/83/53/56/568835356.db2.gz IQOXKQBMUVZJEG-UHFFFAOYSA-N 0 0 429.505 4.673 50 0 IJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1Br)CC(=O)N2 ZINC000001509730 568836057 /nfs/dbraw/zinc/83/60/57/568836057.db2.gz YUGMBFINTBFQPC-JOCHJYFZSA-N 0 0 435.321 4.941 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1 ZINC000015827929 568841040 /nfs/dbraw/zinc/84/10/40/568841040.db2.gz RHEDYLLVTNSIAR-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(N2CCCC2)n1 ZINC000015838356 568844159 /nfs/dbraw/zinc/84/41/59/568844159.db2.gz DBXDWRQUUYMVOT-UHFFFAOYSA-N 0 0 442.317 4.737 50 0 IJAARN CCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2 ZINC000015849561 568844872 /nfs/dbraw/zinc/84/48/72/568844872.db2.gz APLIKJBYXVHGFN-PJCCXHTNSA-N 0 0 444.531 4.802 50 0 IJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000006135607 568845028 /nfs/dbraw/zinc/84/50/28/568845028.db2.gz GJXZJFKTLIHHRF-UHFFFAOYSA-N 0 0 449.502 4.968 50 0 IJAARN COc1ccc(Oc2coc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3c2=O)cc1 ZINC000006162621 568849074 /nfs/dbraw/zinc/84/90/74/568849074.db2.gz WAKIIKJSZBBJQD-UHFFFAOYSA-N 0 0 448.427 4.830 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nnc(-c3ccco3)o2)no1 ZINC000015867217 568850730 /nfs/dbraw/zinc/85/07/30/568850730.db2.gz AKBNYWYNUYKPCL-UHFFFAOYSA-N 0 0 445.888 4.538 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868259 568851060 /nfs/dbraw/zinc/85/10/60/568851060.db2.gz PHGLNYVWHMPBGV-AWEZNQCLSA-N 0 0 426.307 4.848 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868260 568851076 /nfs/dbraw/zinc/85/10/76/568851076.db2.gz PHGLNYVWHMPBGV-CQSZACIVSA-N 0 0 426.307 4.848 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(F)ccc4F)nc3n2)cc1 ZINC000015868192 568851142 /nfs/dbraw/zinc/85/11/42/568851142.db2.gz PPAPLKPATZYCLZ-UHFFFAOYSA-N 0 0 433.340 4.649 50 0 IJAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)nc2ccccc21 ZINC000015870619 568851929 /nfs/dbraw/zinc/85/19/29/568851929.db2.gz ZCIKCFFMZBSHRQ-UHFFFAOYSA-N 0 0 447.560 4.845 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NC4CCCCCC4)CC3)[nH]c2c1 ZINC000015868594 568851968 /nfs/dbraw/zinc/85/19/68/568851968.db2.gz UIOHRYASPYTZHP-QGZVFWFLSA-N 0 0 425.573 4.504 50 0 IJAARN CCn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015870611 568851976 /nfs/dbraw/zinc/85/19/76/568851976.db2.gz NWBMRZNFHYHZQZ-UHFFFAOYSA-N 0 0 441.503 4.920 50 0 IJAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000015870495 568852034 /nfs/dbraw/zinc/85/20/34/568852034.db2.gz OFEBSQPRKRUTIR-UHFFFAOYSA-N 0 0 441.503 4.920 50 0 IJAARN CCOc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000015882493 568856989 /nfs/dbraw/zinc/85/69/89/568856989.db2.gz SVLQIJMXVAXQPZ-UHFFFAOYSA-N 0 0 427.504 4.582 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC(F)F ZINC000015913810 568858686 /nfs/dbraw/zinc/85/86/86/568858686.db2.gz IMQAVLPZMWTYFG-KRWDZBQOSA-N 0 0 437.899 4.681 50 0 IJAARN O=C(NCc1ccccc1Cl)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000015968583 568861333 /nfs/dbraw/zinc/86/13/33/568861333.db2.gz IAOLOVVKVVETAQ-VWNXMTODSA-N 0 0 441.918 4.608 50 0 IJAARN CC(=O)Nc1cccc(-n2c(SC[C@@H](O)c3ccc(Cl)cc3)nnc2C2CC2)c1 ZINC000026142175 568864972 /nfs/dbraw/zinc/86/49/72/568864972.db2.gz RFJTYKRLIVBUIN-LJQANCHMSA-N 0 0 428.945 4.582 50 0 IJAARN COC[C@H](C)N(C(=O)CSc1nc2ccccc2[nH]1)c1c(C)cccc1[C@H](C)OC ZINC000575442892 568867804 /nfs/dbraw/zinc/86/78/04/568867804.db2.gz GAPMTSWUMXOZBC-IRXDYDNUSA-N 0 0 427.570 4.739 50 0 IJAARN O=C(c1ccccc1I)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012950945 568872270 /nfs/dbraw/zinc/87/22/70/568872270.db2.gz WBBOGWBURPHEDT-UHFFFAOYSA-N 0 0 428.273 4.702 50 0 IJAARN O=C(CSCCOc1ccc(Br)cc1)Nc1ccccc1OC(F)F ZINC000009119550 568878931 /nfs/dbraw/zinc/87/89/31/568878931.db2.gz OSGDSDZSRNTWSL-UHFFFAOYSA-N 0 0 432.286 4.801 50 0 IJAARN O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575611301 568879023 /nfs/dbraw/zinc/87/90/23/568879023.db2.gz DUBYDGABRAANTM-RUZDIDTESA-N 0 0 427.972 4.582 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000001188363 568880945 /nfs/dbraw/zinc/88/09/45/568880945.db2.gz UKZLBNIWRMNBOK-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2)c1ccoc1 ZINC000090582820 568888250 /nfs/dbraw/zinc/88/82/50/568888250.db2.gz HGEVROOWCUFNTD-UHFFFAOYSA-N 0 0 436.415 4.597 50 0 IJAARN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl ZINC000090594468 568889183 /nfs/dbraw/zinc/88/91/83/568889183.db2.gz GXALCKONCNJNAX-INIZCTEOSA-N 0 0 445.306 4.696 50 0 IJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012977659 568891419 /nfs/dbraw/zinc/89/14/19/568891419.db2.gz BFRLYXPHQVPKQW-ZDUSSCGKSA-N 0 0 426.485 4.883 50 0 IJAARN O=C(/C=C/c1cccc(Br)c1)Nc1cc2c(cc1Br)OCCO2 ZINC000016009093 568894076 /nfs/dbraw/zinc/89/40/76/568894076.db2.gz WKFDLFAWBSHBBM-SNAWJCMRSA-N 0 0 439.103 4.635 50 0 IJAARN CCOc1cc(/C=C/C(=O)Nc2cccc(CN3CCCC3=O)c2)ccc1OCC(C)C ZINC000023149457 568895460 /nfs/dbraw/zinc/89/54/60/568895460.db2.gz JADHOADISLGMJO-ACCUITESSA-N 0 0 436.552 4.894 50 0 IJAARN COc1ccc(-c2noc(Cn3c(=O)c4c(C)c(C)sc4nc3-c3ccccc3)n2)cc1 ZINC000012997366 568896916 /nfs/dbraw/zinc/89/69/16/568896916.db2.gz ZSKMMBOAILOTJG-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 IJAARN Cc1cc(C)cc(N(C(=O)[C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000013012011 568901031 /nfs/dbraw/zinc/90/10/31/568901031.db2.gz CJKAKKVLSBTNKN-QGZVFWFLSA-N 0 0 444.553 4.665 50 0 IJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000013012742 568901149 /nfs/dbraw/zinc/90/11/49/568901149.db2.gz KWJCQSKZIFFCOS-UHFFFAOYSA-N 0 0 433.430 4.601 50 0 IJAARN COc1ccc2c(CC(=O)OCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)coc2c1 ZINC000013014938 568901470 /nfs/dbraw/zinc/90/14/70/568901470.db2.gz DBOFQCPRXDDRDQ-UHFFFAOYSA-N 0 0 436.489 4.598 50 0 IJAARN CCc1nc2sc(C(=O)N(C)Cc3ccc(OC(F)F)c(OC)c3)c(C)c2c(C)n1 ZINC000013013389 568901549 /nfs/dbraw/zinc/90/15/49/568901549.db2.gz CVSXGQDJRQVNCB-UHFFFAOYSA-N 0 0 435.496 4.753 50 0 IJAARN CCOCCOC(=O)COc1ccc2c(c1)occ(Oc1ccc(C(C)(C)C)cc1)c2=O ZINC000001770146 568905949 /nfs/dbraw/zinc/90/59/49/568905949.db2.gz NCSAJVMVDWKTFE-UHFFFAOYSA-N 0 0 440.492 4.841 50 0 IJAARN COc1cccc(C(=O)Nc2ncc(Cc3ccccc3Br)s2)c1OC ZINC000026690850 568907841 /nfs/dbraw/zinc/90/78/41/568907841.db2.gz MAFWRSFSDDWGOC-UHFFFAOYSA-N 0 0 433.327 4.766 50 0 IJAARN COc1ccc([C@H](NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)c2nccn2C)cc1 ZINC000016475630 568908905 /nfs/dbraw/zinc/90/89/05/568908905.db2.gz XTILCTPDFHNPNN-ZOBSEURRSA-N 0 0 431.467 4.747 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000001927546 568923455 /nfs/dbraw/zinc/92/34/55/568923455.db2.gz ARILMZUFZWUSMV-UHFFFAOYSA-N 0 0 441.958 4.794 50 0 IJAARN O=c1c(F)cn(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(Cl)c(Cl)c1 ZINC000001995034 568924812 /nfs/dbraw/zinc/92/48/12/568924812.db2.gz AEVQJYHCMUIKCP-UHFFFAOYSA-N 0 0 448.108 4.859 50 0 IJAARN COc1cc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCCC3)cc(OC)c1 ZINC000064449981 568929055 /nfs/dbraw/zinc/92/90/55/568929055.db2.gz JOHWBRMNVGVUTE-UHFFFAOYSA-N 0 0 429.524 4.663 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N2CCCC[C@@H]2C)n1C1CCCCC1 ZINC000006525451 568929577 /nfs/dbraw/zinc/92/95/77/568929577.db2.gz GSBGQQQFZBTLTO-KRWDZBQOSA-N 0 0 428.602 4.952 50 0 IJAARN COc1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3cc(OC)c(OC)cc32)c1 ZINC000064474091 568930153 /nfs/dbraw/zinc/93/01/53/568930153.db2.gz MBDXZXZTZMJQEL-UHFFFAOYSA-N 0 0 435.524 4.876 50 0 IJAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)c(C)c1 ZINC000064473156 568930391 /nfs/dbraw/zinc/93/03/91/568930391.db2.gz VFKWJDZSWAVUIY-UHFFFAOYSA-N 0 0 431.515 4.988 50 0 IJAARN Cc1cc(-c2c(C)nc3c(OCc4ccc(Cl)cc4Cl)cccn3c2=O)nn1C ZINC000035911476 568931440 /nfs/dbraw/zinc/93/14/40/568931440.db2.gz DNSGEBOONKHMRO-UHFFFAOYSA-N 0 0 429.307 4.598 50 0 IJAARN COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557757 568931853 /nfs/dbraw/zinc/93/18/53/568931853.db2.gz BSPVQDLOLQJFCM-JOCHJYFZSA-N 0 0 449.528 4.643 50 0 IJAARN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064557956 568931870 /nfs/dbraw/zinc/93/18/70/568931870.db2.gz BMSNRRPVYLICDD-JOCHJYFZSA-N 0 0 433.529 4.889 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccc(OC)cc4)ncn3)c2)cc1 ZINC000064578599 568934108 /nfs/dbraw/zinc/93/41/08/568934108.db2.gz IYKNNBFRPVUJJM-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CC(C)CN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)NC(C)(C)C ZINC000035978044 568936373 /nfs/dbraw/zinc/93/63/73/568936373.db2.gz WXOFSHHNUHXBEK-UHFFFAOYSA-N 0 0 439.526 4.923 50 0 IJAARN O=C1C[C@@H](c2ccc(Br)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656618 568942161 /nfs/dbraw/zinc/94/21/61/568942161.db2.gz OCFUCMAIHYVEJJ-HNNXBMFYSA-N 0 0 448.363 4.818 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)C3CCCCC3)C3CCCCC3)n2)cc1OC ZINC000006674742 568946840 /nfs/dbraw/zinc/94/68/40/568946840.db2.gz XVRWVOMLIQMAJU-UHFFFAOYSA-N 0 0 427.545 4.995 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083672 568947380 /nfs/dbraw/zinc/94/73/80/568947380.db2.gz QDQSUQTWBWPKST-JOCHJYFZSA-N 0 0 442.943 4.939 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746983 568950245 /nfs/dbraw/zinc/95/02/45/568950245.db2.gz MSNXZPBHDXTDKG-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)nc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1 ZINC000064747015 568950382 /nfs/dbraw/zinc/95/03/82/568950382.db2.gz HTQJCAFAJMZOSV-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN CC(C)(C)NC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@H]1CCCO1 ZINC000006687562 568950531 /nfs/dbraw/zinc/95/05/31/568950531.db2.gz XNQNDNXALGHXLJ-LJQANCHMSA-N 0 0 426.586 4.594 50 0 IJAARN CCN(Cc1ccncc1)C(=O)c1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000064759553 568952069 /nfs/dbraw/zinc/95/20/69/568952069.db2.gz QUTWRNYZZFTMMU-UHFFFAOYSA-N 0 0 432.549 4.659 50 0 IJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)cc1OC ZINC000064758016 568952197 /nfs/dbraw/zinc/95/21/97/568952197.db2.gz OMADOEIZRVNOPB-UHFFFAOYSA-N 0 0 426.542 4.650 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2csc(COc3ccccc3)n2)CC(C)C)cc1 ZINC000036115367 568955283 /nfs/dbraw/zinc/95/52/83/568955283.db2.gz RIANIZYDYVMMQK-UHFFFAOYSA-N 0 0 446.594 4.578 50 0 IJAARN Cc1ccc(OCc2nc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)cs2)cc1 ZINC000036115377 568955287 /nfs/dbraw/zinc/95/52/87/568955287.db2.gz KLRIDQBBDFHKMD-UHFFFAOYSA-N 0 0 430.595 4.938 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3ccccc3C)n2)C(C)C)cc1 ZINC000036115387 568955425 /nfs/dbraw/zinc/95/54/25/568955425.db2.gz JXWQGZPBLNBNEH-UHFFFAOYSA-N 0 0 430.595 4.938 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115710 568955600 /nfs/dbraw/zinc/95/56/00/568955600.db2.gz LKPSTEJJFGXPDW-YWZLYKJASA-N 0 0 434.989 4.553 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115709 568955626 /nfs/dbraw/zinc/95/56/26/568955626.db2.gz LKPSTEJJFGXPDW-QRWLVFNGSA-N 0 0 434.989 4.553 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(C)=O ZINC000036116114 568955629 /nfs/dbraw/zinc/95/56/29/568955629.db2.gz VIBOKPATQXTRFP-IERDGZPVSA-N 0 0 449.016 4.862 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)C1CC1 ZINC000036116822 568955729 /nfs/dbraw/zinc/95/57/29/568955729.db2.gz WPQBGCRZQBGOCG-QFIPXVFZSA-N 0 0 440.609 4.635 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C1CC1 ZINC000036116851 568955770 /nfs/dbraw/zinc/95/57/70/568955770.db2.gz KAAASMQHDAPAOL-JOCHJYFZSA-N 0 0 440.609 4.777 50 0 IJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000036119766 568956784 /nfs/dbraw/zinc/95/67/84/568956784.db2.gz JWBHICKMNWGGEL-JOCHJYFZSA-N 0 0 442.625 4.702 50 0 IJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)CC(C)(C)C)c1 ZINC000006709261 568958852 /nfs/dbraw/zinc/95/88/52/568958852.db2.gz HJIWRALNZWVITA-UHFFFAOYSA-N 0 0 428.577 4.841 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2F)n1C[C@H]1CCCO1 ZINC000064794622 568960128 /nfs/dbraw/zinc/96/01/28/568960128.db2.gz WKJFCOPUWNUSQL-CQSZACIVSA-N 0 0 441.557 4.747 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1OC ZINC000064800945 568961474 /nfs/dbraw/zinc/96/14/74/568961474.db2.gz AIYHOCFMHJTLDO-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN COC(=O)C[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1)c1cccc(F)c1 ZINC000036148415 568962718 /nfs/dbraw/zinc/96/27/18/568962718.db2.gz ZWHOCWBKIZUKFK-WSNNEZGNSA-N 0 0 436.527 4.820 50 0 IJAARN COc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036152586 568963646 /nfs/dbraw/zinc/96/36/46/568963646.db2.gz CZODKSWNWZBAJQ-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN CCc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815777 568963694 /nfs/dbraw/zinc/96/36/94/568963694.db2.gz VTCFIGUFLPYZBX-RUZDIDTESA-N 0 0 448.592 4.652 50 0 IJAARN CC(C)(C)NC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1cccc(Cl)c1 ZINC000064815855 568963713 /nfs/dbraw/zinc/96/37/13/568963713.db2.gz VUEVONHGVDFYIW-QFIPXVFZSA-N 0 0 442.972 4.599 50 0 IJAARN CC[C@@H]1Cn2c(C(=O)NCc3cc(Br)ccc3OC)cc3cccc(c32)O1 ZINC000064816588 568964231 /nfs/dbraw/zinc/96/42/31/568964231.db2.gz YHRIDHYVRAJIOJ-MRXNPFEDSA-N 0 0 429.314 4.513 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817288 568964530 /nfs/dbraw/zinc/96/45/30/568964530.db2.gz CLAIXLPLVHZUNF-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(Cl)c3)n(Cc3cccs3)c(=O)c21 ZINC000064817575 568964900 /nfs/dbraw/zinc/96/49/00/568964900.db2.gz APHXKEFNANTXLK-UHFFFAOYSA-N 0 0 430.986 4.977 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)nc(N1CCCC1)n(-c1ccccc1)c2=O ZINC000064819352 568966227 /nfs/dbraw/zinc/96/62/27/568966227.db2.gz FVXZULCCGNQHRB-UHFFFAOYSA-N 0 0 444.922 4.892 50 0 IJAARN O=C([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCC3)C2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000064820369 568967116 /nfs/dbraw/zinc/96/71/16/568967116.db2.gz QYVZELAEEYYTGA-KRWDZBQOSA-N 0 0 441.959 4.603 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccccc3F)C2=O)c1 ZINC000036164469 568968070 /nfs/dbraw/zinc/96/80/70/568968070.db2.gz FCPYRIHRQTXOLT-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 ZINC000064840427 568969841 /nfs/dbraw/zinc/96/98/41/568969841.db2.gz UQPCKHAHJHLFRY-UHFFFAOYSA-N 0 0 448.445 4.936 50 0 IJAARN COc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1OC ZINC000064848296 568971557 /nfs/dbraw/zinc/97/15/57/568971557.db2.gz BSFYYMRXODGLQZ-UHFFFAOYSA-N 0 0 437.927 4.705 50 0 biogenic IJAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862180 568973864 /nfs/dbraw/zinc/97/38/64/568973864.db2.gz BCZVZWWLXAEFNC-UHFFFAOYSA-N 0 0 441.597 4.615 50 0 IJAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862176 568973953 /nfs/dbraw/zinc/97/39/53/568973953.db2.gz YECFFUIVSGVYRH-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(C)c(Cl)c2)=Nc2ccccc2N1 ZINC000064869514 568976144 /nfs/dbraw/zinc/97/61/44/568976144.db2.gz UMOSLEMCCPZJCH-UHFFFAOYSA-N 0 0 429.929 4.923 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064872998 568978112 /nfs/dbraw/zinc/97/81/12/568978112.db2.gz HCQWVLIENVPHEV-UHFFFAOYSA-N 0 0 436.556 4.537 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873368 568978223 /nfs/dbraw/zinc/97/82/23/568978223.db2.gz FONDQJQCBHPFKK-UHFFFAOYSA-N 0 0 449.869 4.856 50 0 IJAARN CCCn1c2ccc(-c3noc(-c4ccccc4Br)n3)cc2nc(C)c1=O ZINC000064890440 568981324 /nfs/dbraw/zinc/98/13/24/568981324.db2.gz SZVZPIJCHUVUEW-UHFFFAOYSA-N 0 0 425.286 4.594 50 0 IJAARN COc1cccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246982 568982141 /nfs/dbraw/zinc/98/21/41/568982141.db2.gz UMEQLBTUKPZXCQ-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@H](C)c2cccc(C)c2)cc1 ZINC000036247738 568982498 /nfs/dbraw/zinc/98/24/98/568982498.db2.gz GGNZQBGHBFLKBO-QGZVFWFLSA-N 0 0 425.506 4.689 50 0 IJAARN COc1cccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248849 568983025 /nfs/dbraw/zinc/98/30/25/568983025.db2.gz NJCZIWPRTCWZHI-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000064928042 568986845 /nfs/dbraw/zinc/98/68/45/568986845.db2.gz SWIOZNZREXJUMI-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928942 568987246 /nfs/dbraw/zinc/98/72/46/568987246.db2.gz WEOHNQXTBZPOSA-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930182 568987910 /nfs/dbraw/zinc/98/79/10/568987910.db2.gz HUMUKCMYXZAERV-QGZVFWFLSA-N 0 0 426.929 4.730 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1Cl ZINC000064929346 568988110 /nfs/dbraw/zinc/98/81/10/568988110.db2.gz CKOWMTGXUXTWGG-UHFFFAOYSA-N 0 0 438.915 4.811 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064929935 568988308 /nfs/dbraw/zinc/98/83/08/568988308.db2.gz IXHYSRDASAAWCY-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064929974 568988510 /nfs/dbraw/zinc/98/85/10/568988510.db2.gz JNBKOZJEKRHVOS-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN CSc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000064944390 568993440 /nfs/dbraw/zinc/99/34/40/568993440.db2.gz PZIMYAKKJKGQHA-ZDUSSCGKSA-N 0 0 445.639 4.775 50 0 IJAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c2ccccc2S1 ZINC000064952171 568997426 /nfs/dbraw/zinc/99/74/26/568997426.db2.gz LKYVSFFDYNYWHH-INIZCTEOSA-N 0 0 448.635 4.615 50 0 IJAARN CCCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036313274 568998470 /nfs/dbraw/zinc/99/84/70/568998470.db2.gz JNHZDVHCFNMOAA-UHFFFAOYSA-N 0 0 441.478 4.509 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)CC(C)C ZINC000036313328 568998583 /nfs/dbraw/zinc/99/85/83/568998583.db2.gz MUSQNYAEPOQBLG-UHFFFAOYSA-N 0 0 431.552 4.738 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC(C)C)C(=O)c2cccs2)c1 ZINC000036314134 568998919 /nfs/dbraw/zinc/99/89/19/568998919.db2.gz ZQGPEJQWCFSDIX-UHFFFAOYSA-N 0 0 439.581 4.847 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccc(Cl)c4)no3)CC2)cc1C ZINC000064960759 569000351 /nfs/dbraw/zinc/00/03/51/569000351.db2.gz JYGWVJKTOIGRBA-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)c(C)o1 ZINC000064967658 569001398 /nfs/dbraw/zinc/00/13/98/569001398.db2.gz SPUCXRZFUBZZPB-UHFFFAOYSA-N 0 0 445.523 4.784 50 0 IJAARN C[C@@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)c1ccc2c(c1)OCCO2 ZINC000064968203 569076104 /nfs/dbraw/zinc/07/61/04/569076104.db2.gz VEYQVQPFNGCDQW-QGZVFWFLSA-N 0 0 428.488 4.875 50 0 IJAARN C[C@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)c1ccc2c(c1)OCCO2 ZINC000064968201 569076106 /nfs/dbraw/zinc/07/61/06/569076106.db2.gz VEYQVQPFNGCDQW-KRWDZBQOSA-N 0 0 428.488 4.875 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976743 569077265 /nfs/dbraw/zinc/07/72/65/569077265.db2.gz GNNBLOPVIVEZEV-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CSCc4ccc(F)cc4)ccc32)c1 ZINC000064978347 569077816 /nfs/dbraw/zinc/07/78/16/569077816.db2.gz VUSQCHXVARNQST-UHFFFAOYSA-N 0 0 448.563 4.887 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345160 569080573 /nfs/dbraw/zinc/08/05/73/569080573.db2.gz CTNVYVRAXMXHNG-RUZDIDTESA-N 0 0 443.547 4.514 50 0 IJAARN CCOc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348537 569081786 /nfs/dbraw/zinc/08/17/86/569081786.db2.gz DDGLAEBXHOFLRK-XMMPIXPASA-N 0 0 436.552 4.908 50 0 IJAARN CCC(=O)c1cn(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 ZINC000064987064 569082538 /nfs/dbraw/zinc/08/25/38/569082538.db2.gz HXGNRBWLRZASKG-AREMUKBSSA-N 0 0 434.536 4.909 50 0 IJAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@H](CC)c3ccc4c(c3)OCCCO4)c21 ZINC000064987088 569082587 /nfs/dbraw/zinc/08/25/87/569082587.db2.gz ZMJYWFKQXGRKEX-JOCHJYFZSA-N 0 0 434.536 4.835 50 0 IJAARN COc1ccccc1-c1nnc(-c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC000064987947 569082781 /nfs/dbraw/zinc/08/27/81/569082781.db2.gz GKXXEYHJDXNNGL-UHFFFAOYSA-N 0 0 447.944 4.630 50 0 IJAARN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000064988087 569082817 /nfs/dbraw/zinc/08/28/17/569082817.db2.gz QBOZVQFCAHYIMF-UHFFFAOYSA-N 0 0 447.516 4.554 50 0 IJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccc(Br)cc1 ZINC000064989784 569083048 /nfs/dbraw/zinc/08/30/48/569083048.db2.gz MOFRENFQHSNDOQ-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)CSc4ccccc4)ccc3C[C@@H]2C)cc1 ZINC000064990248 569083215 /nfs/dbraw/zinc/08/32/15/569083215.db2.gz CLGFIRZOIMQCGB-SFHVURJKSA-N 0 0 446.572 4.695 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)CCc4ccccc4)ccc3C[C@@H]2C)cc1 ZINC000064990211 569083274 /nfs/dbraw/zinc/08/32/74/569083274.db2.gz KPAQFWGXEHWTQF-IBGZPJMESA-N 0 0 428.532 4.536 50 0 biogenic IJAARN COc1cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc(OC)c1 ZINC000064990616 569083359 /nfs/dbraw/zinc/08/33/59/569083359.db2.gz GZSRTPCOUWMYLC-KRWDZBQOSA-N 0 0 445.519 4.617 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000119 569085799 /nfs/dbraw/zinc/08/57/99/569085799.db2.gz HHJFOLAGSSNLPI-UHFFFAOYSA-N 0 0 448.494 4.701 50 0 IJAARN Cc1nn([C@H](C)c2nn3c(nnc3-c3cc(Cl)ccc3F)s2)cc1Br ZINC000036359954 569086515 /nfs/dbraw/zinc/08/65/15/569086515.db2.gz OKUNXQVWZMZHRF-MRVPVSSYSA-N 0 0 441.717 4.522 50 0 IJAARN O=C(NC1CCCC1)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027353 569090213 /nfs/dbraw/zinc/09/02/13/569090213.db2.gz JBFIQMTUXAHQRB-UHFFFAOYSA-N 0 0 439.899 4.832 50 0 IJAARN CC1CCC(NC(=O)c2cc(COc3ccc(NC(=O)c4cccs4)cc3)on2)CC1 ZINC000065027227 569090268 /nfs/dbraw/zinc/09/02/68/569090268.db2.gz HINYARATCGFKKL-UHFFFAOYSA-N 0 0 439.537 4.876 50 0 IJAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169759545 569094075 /nfs/dbraw/zinc/09/40/75/569094075.db2.gz HYEUXIFRTJWLAU-QGZVFWFLSA-N 0 0 445.748 4.501 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057844 569095372 /nfs/dbraw/zinc/09/53/72/569095372.db2.gz PGWJAWVAGPRNPW-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN O=C(Nc1ccc(-n2cccc(C(=O)NCC3CCCCC3)c2=O)cc1)c1ccc(F)cc1 ZINC000065062813 569097284 /nfs/dbraw/zinc/09/72/84/569097284.db2.gz KOFOSJWHSFSHKV-UHFFFAOYSA-N 0 0 447.510 4.539 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5ccccc5)CC4)s3)no2)cc1 ZINC000065062926 569097793 /nfs/dbraw/zinc/09/77/93/569097793.db2.gz ZRWPOLVGPRBZMC-UHFFFAOYSA-N 0 0 430.533 4.736 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075109 569099390 /nfs/dbraw/zinc/09/93/90/569099390.db2.gz CCCXLMSVWBPUPD-AREMUKBSSA-N 0 0 432.951 4.922 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075129 569099407 /nfs/dbraw/zinc/09/94/07/569099407.db2.gz NLJPCTOGKBJQAF-AREMUKBSSA-N 0 0 432.951 4.922 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1cccc(SC)c1 ZINC000065075134 569099507 /nfs/dbraw/zinc/09/95/07/569099507.db2.gz GMTHPZKEOSCHKR-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@H](C(=O)NC4CCCCC4)C3)sc12 ZINC000065080957 569101142 /nfs/dbraw/zinc/10/11/42/569101142.db2.gz HKAWNCWEOXJEJO-SFHVURJKSA-N 0 0 437.613 4.764 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(N3CCC[C@@H](C(=O)NCCC(C)C)C3)sc12 ZINC000065080707 569101211 /nfs/dbraw/zinc/10/12/11/569101211.db2.gz XXMBVUVFPDQBJS-MRXNPFEDSA-N 0 0 446.020 4.823 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1 ZINC000065085127 569102710 /nfs/dbraw/zinc/10/27/10/569102710.db2.gz SGFCWELLYWJISC-UHFFFAOYSA-N 0 0 431.535 4.631 50 0 IJAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000065085037 569102747 /nfs/dbraw/zinc/10/27/47/569102747.db2.gz MKKBPEUCOWAYDF-UHFFFAOYSA-N 0 0 425.575 4.676 50 0 IJAARN O=S(=O)(NCc1cccs1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097999 569104343 /nfs/dbraw/zinc/10/43/43/569104343.db2.gz HVLOEZOXVOZMJV-UHFFFAOYSA-N 0 0 437.955 4.659 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc(OC)c1OC ZINC000006906162 569105846 /nfs/dbraw/zinc/10/58/46/569105846.db2.gz VOHLRFMFOMLHNY-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN O=C(Cn1c(=O)nc(NCc2cccs2)c2ccccc21)Nc1ccc(F)c(Cl)c1 ZINC000065101965 569105971 /nfs/dbraw/zinc/10/59/71/569105971.db2.gz WDZKEJPSDVXRCV-UHFFFAOYSA-N 0 0 442.903 4.501 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000065102575 569106156 /nfs/dbraw/zinc/10/61/56/569106156.db2.gz IGUBODBPVUQOJA-UHFFFAOYSA-N 0 0 436.556 4.608 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000065115746 569106907 /nfs/dbraw/zinc/10/69/07/569106907.db2.gz BSOVUNIRQPTUPW-UHFFFAOYSA-N 0 0 433.917 4.679 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccccc2CC)c1 ZINC000065116278 569107276 /nfs/dbraw/zinc/10/72/76/569107276.db2.gz VJCOFRPACDOLSE-UHFFFAOYSA-N 0 0 427.526 4.534 50 0 IJAARN COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1Cl ZINC000065113459 569108441 /nfs/dbraw/zinc/10/84/41/569108441.db2.gz XIDOQQDPZLVQJH-UHFFFAOYSA-N 0 0 448.910 4.501 50 0 IJAARN O=C(NCc1ccccc1C(F)(F)F)c1snc(-c2ccccn2)c1NC(=O)C1CC1 ZINC000065150025 569110967 /nfs/dbraw/zinc/11/09/67/569110967.db2.gz OLJRDRCUGATQBW-UHFFFAOYSA-N 0 0 446.454 4.502 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168928 569112712 /nfs/dbraw/zinc/11/27/12/569112712.db2.gz YLMPGRWCQBIJTL-UHFFFAOYSA-N 0 0 445.267 4.775 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)cc1 ZINC000065179585 569113542 /nfs/dbraw/zinc/11/35/42/569113542.db2.gz XHFZBOUYONLTIW-INIZCTEOSA-N 0 0 432.923 4.549 50 0 IJAARN CN(C)c1ccc(NC(=O)CSc2cc(-c3nc(-c4ccc(F)cc4)no3)ccn2)cc1 ZINC000065185625 569113672 /nfs/dbraw/zinc/11/36/72/569113672.db2.gz QLTKPHAVJNRCJF-UHFFFAOYSA-N 0 0 449.511 4.735 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc3)cccn12 ZINC000065185279 569114244 /nfs/dbraw/zinc/11/42/44/569114244.db2.gz LINAHPHAMWSLQB-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)cc1 ZINC000065178356 569114445 /nfs/dbraw/zinc/11/44/45/569114445.db2.gz ULGKKWPHDLFMOA-SFHVURJKSA-N 0 0 433.577 4.801 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4cccs4)C3)cc2)CC1 ZINC000065179024 569114659 /nfs/dbraw/zinc/11/46/59/569114659.db2.gz PLUMKUNTOKKDRQ-LJQANCHMSA-N 0 0 426.582 4.551 50 0 IJAARN CCc1ccc([C@@H](C)NS(=O)(=O)c2c(C)c(-c3nnc(C4CCC4)o3)n(C)c2C)cc1 ZINC000065186582 569114782 /nfs/dbraw/zinc/11/47/82/569114782.db2.gz IXQYCKCAHGWROJ-OAHLLOKOSA-N 0 0 442.585 4.561 50 0 IJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1ccc(F)c(Cl)c1 ZINC000065194847 569114863 /nfs/dbraw/zinc/11/48/63/569114863.db2.gz IEORGOIDXWMOKB-UHFFFAOYSA-N 0 0 444.919 4.992 50 0 IJAARN COc1ccc(NC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(C)cc2)cc1OC ZINC000065210124 569116590 /nfs/dbraw/zinc/11/65/90/569116590.db2.gz KAHPCOXKRCRPRC-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000065229611 569118271 /nfs/dbraw/zinc/11/82/71/569118271.db2.gz RJKZKYKKJXKWPU-SFHVURJKSA-N 0 0 434.540 4.538 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)c(OC)c1 ZINC000065241487 569120952 /nfs/dbraw/zinc/12/09/52/569120952.db2.gz WZIUBLWVKJDIRL-UHFFFAOYSA-N 0 0 447.516 4.625 50 0 IJAARN Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)nn1C1CCCC1 ZINC000036616216 569122731 /nfs/dbraw/zinc/12/27/31/569122731.db2.gz LTMYAKUIMYKFGN-UHFFFAOYSA-N 0 0 428.540 4.969 50 0 IJAARN CCn1cc(CN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c2ccccc2)c(C)n1 ZINC000036616736 569122871 /nfs/dbraw/zinc/12/28/71/569122871.db2.gz BVFCEPBLYVOHBF-UHFFFAOYSA-N 0 0 428.540 4.526 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000036611662 569123650 /nfs/dbraw/zinc/12/36/50/569123650.db2.gz RWWVOFNNXJUFFF-MRXNPFEDSA-N 0 0 430.508 4.546 50 0 IJAARN Cc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613437 569123867 /nfs/dbraw/zinc/12/38/67/569123867.db2.gz MDZRDCHEGRVXHK-UHFFFAOYSA-N 0 0 427.439 4.834 50 0 IJAARN CC(C)c1noc(-c2cccnc2N2CCCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257923 569124233 /nfs/dbraw/zinc/12/42/33/569124233.db2.gz MNZSLRIUQJYDGV-UHFFFAOYSA-N 0 0 429.927 4.760 50 0 IJAARN CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000065258031 569124261 /nfs/dbraw/zinc/12/42/61/569124261.db2.gz INPCYLFINXPBOI-UHFFFAOYSA-N 0 0 447.583 4.905 50 0 IJAARN Cc1cccc(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)c1C ZINC000065258277 569124351 /nfs/dbraw/zinc/12/43/51/569124351.db2.gz JUOAAQMHXIMAFC-UHFFFAOYSA-N 0 0 426.524 4.501 50 0 IJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065258350 569124426 /nfs/dbraw/zinc/12/44/26/569124426.db2.gz OBONABWUSZUOOX-CYBMUJFWSA-N 0 0 439.924 4.882 50 0 IJAARN CN1c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2Sc2ncccc2C1=O ZINC000065258400 569124449 /nfs/dbraw/zinc/12/44/49/569124449.db2.gz FIEZNNBGDYNPJJ-UHFFFAOYSA-N 0 0 427.888 4.797 50 0 IJAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cc(C)n(C(C)C)n4)c32)c1C ZINC000036619004 569124556 /nfs/dbraw/zinc/12/45/56/569124556.db2.gz IHDKCYGSBBNWFW-UHFFFAOYSA-N 0 0 433.516 4.630 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)cc1 ZINC000065258605 569124583 /nfs/dbraw/zinc/12/45/83/569124583.db2.gz RGHBMBWBIGMJCG-UHFFFAOYSA-N 0 0 449.532 4.628 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cccc(C)c1 ZINC000013128004 569125247 /nfs/dbraw/zinc/12/52/47/569125247.db2.gz IJHOVTVRAWEPNF-UHFFFAOYSA-N 0 0 432.496 4.996 50 0 IJAARN COc1ccc([C@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000524731719 569126644 /nfs/dbraw/zinc/12/66/44/569126644.db2.gz IMSITPIRAFURJC-QHCPKHFHSA-N 0 0 429.520 4.506 50 0 biogenic IJAARN O=C(NCC1(Cc2nnc3ccccn32)CCCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000524735172 569128123 /nfs/dbraw/zinc/12/81/23/569128123.db2.gz BQFNOIARGWOECI-UHFFFAOYSA-N 0 0 447.461 4.943 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CC[C@@H](n3c4ncccc4nc3C3CCCC3)C2)cc1 ZINC000065271542 569128630 /nfs/dbraw/zinc/12/86/30/569128630.db2.gz SKCNOXPYNIIISS-HXUWFJFHSA-N 0 0 447.539 4.745 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(F)cc3)sc12 ZINC000065294020 569131183 /nfs/dbraw/zinc/13/11/83/569131183.db2.gz SQDKYXGLKNLTIT-OAHLLOKOSA-N 0 0 437.544 4.552 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)CCC4CCCC4)CC3)sc12 ZINC000065296929 569131624 /nfs/dbraw/zinc/13/16/24/569131624.db2.gz PCNZEKRPALAKSU-UHFFFAOYSA-N 0 0 441.576 4.549 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCN(C(=O)CCC4CCCC4)CC3)sc12 ZINC000065297263 569131721 /nfs/dbraw/zinc/13/17/21/569131721.db2.gz PUSSHUBOHHBKQJ-UHFFFAOYSA-N 0 0 437.613 4.718 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)sc12 ZINC000065297268 569131741 /nfs/dbraw/zinc/13/17/41/569131741.db2.gz QKIKHMWTHVMKLZ-UHFFFAOYSA-N 0 0 445.592 4.678 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccc(F)cc1)N2 ZINC000065298529 569132013 /nfs/dbraw/zinc/13/20/13/569132013.db2.gz VHFWVCTWJHHXPX-LJQANCHMSA-N 0 0 445.922 4.657 50 0 biogenic IJAARN CCC[C@H](C)C(=O)N1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(C)c2)CC1 ZINC000065300453 569132291 /nfs/dbraw/zinc/13/22/91/569132291.db2.gz AMTGIOUWYGQDID-KRWDZBQOSA-N 0 0 425.602 4.574 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)n1 ZINC000065301440 569132418 /nfs/dbraw/zinc/13/24/18/569132418.db2.gz KKNVSYVUEZZZIG-AWEZNQCLSA-N 0 0 426.561 4.795 50 0 IJAARN CSc1cccc2sc(N3CCN(C(=O)c4cc(-c5ccccc5)on4)CC3)nc21 ZINC000036704913 569134284 /nfs/dbraw/zinc/13/42/84/569134284.db2.gz PREWDCLHFFRAQM-UHFFFAOYSA-N 0 0 436.562 4.636 50 0 IJAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(OC)c(OC)c3)c(NCCOC)n21 ZINC000065319391 569134880 /nfs/dbraw/zinc/13/48/80/569134880.db2.gz DKXQNUKYKJIJGK-UHFFFAOYSA-N 0 0 427.526 4.690 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000065320898 569136372 /nfs/dbraw/zinc/13/63/72/569136372.db2.gz GLGQXHOLRWYZJV-GOSISDBHSA-N 0 0 431.945 4.841 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2cccs2)n1 ZINC000065322140 569136441 /nfs/dbraw/zinc/13/64/41/569136441.db2.gz PVYKLSLVLDKCIU-FQEVSTJZSA-N 0 0 433.562 4.782 50 0 IJAARN O=c1c(Cl)c(NCCNc2cccc3ccccc32)cnn1-c1ccc(F)cc1F ZINC000065514225 569138905 /nfs/dbraw/zinc/13/89/05/569138905.db2.gz VHDSUDRFNKWGBI-UHFFFAOYSA-N 0 0 426.854 4.841 50 0 IJAARN C[C@@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000037210665 569140821 /nfs/dbraw/zinc/14/08/21/569140821.db2.gz BRPJJYSWNKTDKL-IVCQMTBJSA-N 0 0 444.560 4.867 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000037276511 569145322 /nfs/dbraw/zinc/14/53/22/569145322.db2.gz KOJLOARNYQZUSL-HXUWFJFHSA-N 0 0 427.548 4.576 50 0 IJAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(OC)cc2)c1CCC(=O)NCC1CC1 ZINC000037278446 569145413 /nfs/dbraw/zinc/14/54/13/569145413.db2.gz HBBBDQYMWAKIMU-UHFFFAOYSA-N 0 0 449.551 4.703 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037281189 569145993 /nfs/dbraw/zinc/14/59/93/569145993.db2.gz BTIWNUYMOZXEDP-BJKOFHAPSA-N 0 0 440.559 4.638 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1 ZINC000170612674 569146042 /nfs/dbraw/zinc/14/60/42/569146042.db2.gz UAIZJYHBUTWXSJ-NRFANRHFSA-N 0 0 426.925 4.889 50 0 IJAARN O=C(COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)Nc1ccccc1 ZINC000037281397 569146134 /nfs/dbraw/zinc/14/61/34/569146134.db2.gz VVRRJFXLYOUCLK-AREMUKBSSA-N 0 0 444.506 4.727 50 0 IJAARN COc1ccc(Cl)cc1CC(=O)Nc1cc(O)c(Br)cc1Br ZINC000170614447 569146380 /nfs/dbraw/zinc/14/63/80/569146380.db2.gz ZALIEJRULAZINT-UHFFFAOYSA-N 0 0 449.526 4.760 50 0 IJAARN O=C(N[C@H]1CCCOc2ccccc21)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000170627042 569148770 /nfs/dbraw/zinc/14/87/70/569148770.db2.gz NVEHHIYAOZWUTN-IBGZPJMESA-N 0 0 432.442 4.622 50 0 IJAARN COc1cc(Cl)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1OC ZINC000009760862 569149003 /nfs/dbraw/zinc/14/90/03/569149003.db2.gz ZYYBCWAPKANZNY-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@H]2CCCO2)cc1 ZINC000009870753 569149391 /nfs/dbraw/zinc/14/93/91/569149391.db2.gz GRBOIPKRIAILBV-GOSISDBHSA-N 0 0 438.509 4.673 50 0 IJAARN O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000009910971 569150573 /nfs/dbraw/zinc/15/05/73/569150573.db2.gz AXLXACLMAZRTLT-UHFFFAOYSA-N 0 0 431.901 4.672 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1nc(-c2ccccc2)no1 ZINC000009953919 569151023 /nfs/dbraw/zinc/15/10/23/569151023.db2.gz BPXINUASTNNIDQ-UHFFFAOYSA-N 0 0 435.487 4.862 50 0 IJAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000010059154 569152098 /nfs/dbraw/zinc/15/20/98/569152098.db2.gz XMJLDPFAZQEKNQ-MHZLTWQESA-N 0 0 443.499 4.546 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000010059527 569152180 /nfs/dbraw/zinc/15/21/80/569152180.db2.gz LRVVHBFXRGXUJR-VWLOTQADSA-N 0 0 435.907 4.746 50 0 IJAARN CCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC ZINC000010219612 569153721 /nfs/dbraw/zinc/15/37/21/569153721.db2.gz VJFYASIFWRQIJY-UHFFFAOYSA-N 0 0 442.519 4.614 50 0 IJAARN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000013522828 569155496 /nfs/dbraw/zinc/15/54/96/569155496.db2.gz INNGBKVQZUHADZ-ROUUACIJSA-N 0 0 425.488 4.720 50 0 IJAARN COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000013578809 569156037 /nfs/dbraw/zinc/15/60/37/569156037.db2.gz ZIHLTRNHYCQCEQ-NRFANRHFSA-N 0 0 447.516 4.763 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578850 569156059 /nfs/dbraw/zinc/15/60/59/569156059.db2.gz NVYZKSUVXLTQQX-INIZCTEOSA-N 0 0 440.326 4.588 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000013611177 569156376 /nfs/dbraw/zinc/15/63/76/569156376.db2.gz YHLADZKIWNSONM-UHFFFAOYSA-N 0 0 443.429 4.643 50 0 IJAARN CN(Cc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000014054630 569157696 /nfs/dbraw/zinc/15/76/96/569157696.db2.gz XEOKUBLKRTURQT-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN CN(CC(=O)NCc1ccco1)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000014201305 569158115 /nfs/dbraw/zinc/15/81/15/569158115.db2.gz FPTFIRLARHOIMU-UHFFFAOYSA-N 0 0 433.895 4.537 50 0 IJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000014525922 569159211 /nfs/dbraw/zinc/15/92/11/569159211.db2.gz OQKGWERHLHZJDC-UHFFFAOYSA-N 0 0 448.596 4.513 50 0 IJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(N2CCCC2)cc1 ZINC000016763834 569161404 /nfs/dbraw/zinc/16/14/04/569161404.db2.gz QHOVJHMLJIYEOQ-UHFFFAOYSA-N 0 0 428.608 4.994 50 0 IJAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1OC ZINC000016845977 569163903 /nfs/dbraw/zinc/16/39/03/569163903.db2.gz PSAYNBSSUACBOM-UHFFFAOYSA-N 0 0 446.507 4.539 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2-c2ccccc2)cc1 ZINC000089927522 569167670 /nfs/dbraw/zinc/16/76/70/569167670.db2.gz SGEIJBRQASHRBR-QZTJIDSGSA-N 0 0 436.581 4.825 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000017011443 569170363 /nfs/dbraw/zinc/17/03/63/569170363.db2.gz GCQFPOPOBNLVKO-UHFFFAOYSA-N 0 0 430.526 4.589 50 0 IJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000017013524 569170713 /nfs/dbraw/zinc/17/07/13/569170713.db2.gz XAVPPUMINPJFPF-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@@H]1C ZINC000037355972 569171177 /nfs/dbraw/zinc/17/11/77/569171177.db2.gz DSYKBWZNICKLGR-VQTJNVASSA-N 0 0 440.588 4.839 50 0 IJAARN CC(C)(C)c1csc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000017112949 569174128 /nfs/dbraw/zinc/17/41/28/569174128.db2.gz JPMLXBHOKPUXLC-UHFFFAOYSA-N 0 0 433.530 4.633 50 0 IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)c12 ZINC000002092288 569178798 /nfs/dbraw/zinc/17/87/98/569178798.db2.gz XLKFGMLQPYTTDF-JOCHJYFZSA-N 0 0 437.492 4.835 50 0 biogenic IJAARN Cc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12 ZINC000002096384 569179230 /nfs/dbraw/zinc/17/92/30/569179230.db2.gz ASGRJLVJPJQWCP-UHFFFAOYSA-N 0 0 437.492 4.802 50 0 biogenic IJAARN COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000001088864 569180465 /nfs/dbraw/zinc/18/04/65/569180465.db2.gz GTBDVQWDRLFXAI-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cccnc1 ZINC000002375784 569180794 /nfs/dbraw/zinc/18/07/94/569180794.db2.gz XLVSZMBIHXTXBN-UHFFFAOYSA-N 0 0 445.548 4.670 50 0 IJAARN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C ZINC000002118281 569182532 /nfs/dbraw/zinc/18/25/32/569182532.db2.gz RRHIZLCOQXUPFO-WIOPSUGQSA-N 0 0 442.515 4.752 50 0 biogenic IJAARN COc1ccc(OC)c(-c2nc(C(=O)NCCCOC(C)C)cc3c4ccccc4[nH]c32)c1 ZINC000002138140 569185344 /nfs/dbraw/zinc/18/53/44/569185344.db2.gz GWGVRSGTEMJMNU-UHFFFAOYSA-N 0 0 447.535 4.945 50 0 biogenic IJAARN Cc1c(OCC(=O)OC(C)(C)C)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002138036 569185375 /nfs/dbraw/zinc/18/53/75/569185375.db2.gz GKRMCMXDLQSTJE-UHFFFAOYSA-N 0 0 434.444 4.595 50 0 biogenic IJAARN CC1CCN(c2nc3nn(-c4cc(F)ccc4F)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037376342 569185607 /nfs/dbraw/zinc/18/56/07/569185607.db2.gz MSLKDGSWGPSRED-UHFFFAOYSA-N 0 0 438.457 4.718 50 0 IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c12 ZINC000002147374 569186980 /nfs/dbraw/zinc/18/69/80/569186980.db2.gz UEEGFNMRXHWPQS-KRWDZBQOSA-N 0 0 431.529 4.899 50 0 biogenic IJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002147013 569187003 /nfs/dbraw/zinc/18/70/03/569187003.db2.gz AEJITQQRWBLFLV-UHFFFAOYSA-N 0 0 432.476 4.994 50 0 biogenic IJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 ZINC000002149510 569187088 /nfs/dbraw/zinc/18/70/88/569187088.db2.gz PBJHDZYMWMUFHK-NRFANRHFSA-N 0 0 437.492 4.575 50 0 biogenic IJAARN COc1cccc(Oc2coc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)c1 ZINC000002155287 569187403 /nfs/dbraw/zinc/18/74/03/569187403.db2.gz CGNCUDKJEFIVSM-UHFFFAOYSA-N 0 0 432.384 4.542 50 0 biogenic IJAARN COc1ccc(-c2csc(C3=C(N)N(CCCc4nc(C(C)C)no4)CC3=O)n2)cc1 ZINC000252551402 569191066 /nfs/dbraw/zinc/19/10/66/569191066.db2.gz UERAJLGXNRRJRP-UHFFFAOYSA-N 0 0 439.541 4.520 50 0 IJAARN O=C(C1CCC1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccccc1 ZINC000037381923 569191861 /nfs/dbraw/zinc/19/18/61/569191861.db2.gz BMEXGSUKWDMJOZ-UHFFFAOYSA-N 0 0 440.341 4.871 50 0 IJAARN CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3cccc(O)c3)c3ccccc32)cc1 ZINC000002206369 569193485 /nfs/dbraw/zinc/19/34/85/569193485.db2.gz YQABRKAJIOLIFB-UHFFFAOYSA-N 0 0 442.519 4.993 50 0 IJAARN O=C(NC1CC1)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)cc1 ZINC000037398090 569193618 /nfs/dbraw/zinc/19/36/18/569193618.db2.gz PMTIMZZQQLKKLS-UHFFFAOYSA-N 0 0 434.496 4.851 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C)c1 ZINC000037398919 569194193 /nfs/dbraw/zinc/19/41/93/569194193.db2.gz UVFIGROHVXSGBW-UHFFFAOYSA-N 0 0 440.591 4.664 50 0 IJAARN CC(C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)c1cccc(F)c1 ZINC000037400599 569194911 /nfs/dbraw/zinc/19/49/11/569194911.db2.gz KDCHEAAYCDVVML-UHFFFAOYSA-N 0 0 445.487 4.783 50 0 IJAARN CC[C@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426423 569195617 /nfs/dbraw/zinc/19/56/17/569195617.db2.gz KTJQTDSNMSTGTJ-KRWDZBQOSA-N 0 0 440.569 4.735 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)C(C)C)C2)cc1OC ZINC000037440254 569196582 /nfs/dbraw/zinc/19/65/82/569196582.db2.gz QEOZPJGXQRSMNK-IBGZPJMESA-N 0 0 430.932 4.535 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3cccc(F)c3)=NO2)C(=O)c2ccccc2F)c1 ZINC000037441582 569196805 /nfs/dbraw/zinc/19/68/05/569196805.db2.gz CALBKWKLUVNSOZ-OAQYLSRUSA-N 0 0 436.458 4.809 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441346 569196884 /nfs/dbraw/zinc/19/68/84/569196884.db2.gz ONOIQOCLQYSCDM-IBGZPJMESA-N 0 0 437.437 4.958 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000037442839 569197009 /nfs/dbraw/zinc/19/70/09/569197009.db2.gz ZYZGGXGQNFAIOT-MFJZGFPYSA-N 0 0 439.581 4.651 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(F)c2)C1 ZINC000037525961 569199054 /nfs/dbraw/zinc/19/90/54/569199054.db2.gz LLTNRDTXMIQSIL-KRWDZBQOSA-N 0 0 428.529 4.614 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)c(F)c2)CC1 ZINC000037525985 569199083 /nfs/dbraw/zinc/19/90/83/569199083.db2.gz JWUDKOOPYLITDN-UHFFFAOYSA-N 0 0 446.519 4.753 50 0 IJAARN Cc1cc2c(cc(C(=O)NC[C@@H]3CCCO3)n2Cc2ccc(Br)cc2)s1 ZINC000037526975 569199226 /nfs/dbraw/zinc/19/92/26/569199226.db2.gz QLERXGJSVRJYGW-INIZCTEOSA-N 0 0 433.371 4.731 50 0 IJAARN O=C(NCc1cccnc1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000037542808 569199443 /nfs/dbraw/zinc/19/94/43/569199443.db2.gz IGNRFWWAHMDRBH-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN O=C(NCc1ccncc1)c1cc2scc(Br)c2n1Cc1ccccc1F ZINC000037543759 569199549 /nfs/dbraw/zinc/19/95/49/569199549.db2.gz ZPATXSPZAQDQDA-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1Cc1ccccc1F ZINC000037541945 569199774 /nfs/dbraw/zinc/19/97/74/569199774.db2.gz RDVQLBWFHVMFIQ-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)N(C)C(C)C)c2Oc2cccc(F)c2)cc1 ZINC000037546866 569200240 /nfs/dbraw/zinc/20/02/40/569200240.db2.gz DWFOLRWLWZKFEV-UHFFFAOYSA-N 0 0 425.504 4.920 50 0 IJAARN Cc1cccc(CNC(=O)Cc2ccc(N(Cc3ccc(F)cc3)C(=O)C3CC3)cc2)c1 ZINC000037557191 569200722 /nfs/dbraw/zinc/20/07/22/569200722.db2.gz IZVVRLLTGJKTSP-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC(C)C)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602827 569202475 /nfs/dbraw/zinc/20/24/75/569202475.db2.gz MEXHMGMQNIRZQM-AHWVRZQESA-N 0 0 436.596 4.809 50 0 IJAARN C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)(C)C)CC2)C(=O)N1CCCC1 ZINC000037604048 569202951 /nfs/dbraw/zinc/20/29/51/569202951.db2.gz QREFYFWFFWGDKM-NTKDMRAZSA-N 0 0 434.580 4.597 50 0 IJAARN Cc1cc(C)c2oc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc(=O)c2c1 ZINC000002237045 569212332 /nfs/dbraw/zinc/21/23/32/569212332.db2.gz LVZQSBVCGVMRTQ-UHFFFAOYSA-N 0 0 441.509 4.945 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3c(F)cc(F)cc3c2=O)cc1 ZINC000002687707 569212511 /nfs/dbraw/zinc/21/25/11/569212511.db2.gz MMBSGXYHLVTCCU-UHFFFAOYSA-N 0 0 449.453 4.966 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687698 569212532 /nfs/dbraw/zinc/21/25/32/569212532.db2.gz LRKLXJQGSQVKES-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(F)cc4)C32)cc1 ZINC000002250816 569213841 /nfs/dbraw/zinc/21/38/41/569213841.db2.gz OPIFFYDAEPHBBN-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1OC ZINC000002253936 569216663 /nfs/dbraw/zinc/21/66/63/569216663.db2.gz HGNUEJHNYAKQGS-DHIUTWEWSA-N 0 0 444.516 4.570 50 0 IJAARN Cc1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Cl)c1 ZINC000027521533 569218246 /nfs/dbraw/zinc/21/82/46/569218246.db2.gz RQYRDVJXLWDDQK-UDWIEESQSA-N 0 0 434.879 4.787 50 0 IJAARN COc1ccc(Br)cc1/C=C1\N=C(c2c(C)onc2-c2ccccc2)OC1=O ZINC000027519805 569218249 /nfs/dbraw/zinc/21/82/49/569218249.db2.gz ZHWWQUWMCPAROU-WJDWOHSUSA-N 0 0 439.265 4.766 50 0 IJAARN CC(C)(C)OC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2 ZINC000095642816 569258545 /nfs/dbraw/zinc/25/85/45/569258545.db2.gz CFPWOTOHSIAWSD-UHFFFAOYSA-N 0 0 446.594 4.682 50 0 IJAARN CCc1cc2c(cc1OCC(=O)OCc1ccccc1)occ(-c1nc(C)cs1)c2=O ZINC000002282150 569263334 /nfs/dbraw/zinc/26/33/34/569263334.db2.gz FTIBDHJLVPSHDR-UHFFFAOYSA-N 0 0 435.501 4.910 50 0 IJAARN COc1ccc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1O ZINC000253407225 569265405 /nfs/dbraw/zinc/26/54/05/569265405.db2.gz JQWMRLUPJRPTND-GOSISDBHSA-N 0 0 428.440 4.924 50 0 biogenic IJAARN CCOC(=O)C1=C(NC(=O)NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000002294700 569268120 /nfs/dbraw/zinc/26/81/20/569268120.db2.gz LNCLBIMDBFJJDY-UHFFFAOYSA-N 0 0 432.520 4.607 50 0 IJAARN COc1ccc([C@H]2CC(c3cccc(N(C)C)c3)=NN2C(=O)c2cccs2)cc1OC ZINC000253431200 569268509 /nfs/dbraw/zinc/26/85/09/569268509.db2.gz ZNEFSFOBFUVUKE-HXUWFJFHSA-N 0 0 435.549 4.823 50 0 IJAARN CC(C)Cc1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000002296129 569268575 /nfs/dbraw/zinc/26/85/75/569268575.db2.gz RUQOVRQEJCTSCO-CQSZACIVSA-N 0 0 426.586 4.880 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5c(ccc(C)c5C)n4c3=O)o2)cc1 ZINC000027549141 569271825 /nfs/dbraw/zinc/27/18/25/569271825.db2.gz LWCINESZSACHRW-FYJGNVAPSA-N 0 0 444.512 4.510 50 0 IJAARN CCOC(=O)[C@@](NC(=O)Nc1ccc(F)c(Cl)c1)(Oc1ccccc1)C(F)(F)F ZINC000002311905 569272944 /nfs/dbraw/zinc/27/29/44/569272944.db2.gz FYVKPOGJZCBRBO-QGZVFWFLSA-N 0 0 434.773 4.501 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2OC(C)C)cc1 ZINC000002332962 569274685 /nfs/dbraw/zinc/27/46/85/569274685.db2.gz QTAYNFCAWJGVGN-UHFFFAOYSA-N 0 0 430.504 4.938 50 0 IJAARN CCc1nc2sc3c(c2c(SCC(=O)Nc2cccc(OC)c2)n1)CC(C)(C)OC3 ZINC000002351325 569282787 /nfs/dbraw/zinc/28/27/87/569282787.db2.gz SQEIIMJVYINWJI-UHFFFAOYSA-N 0 0 443.594 4.844 50 0 IJAARN CCOc1ccccc1C(=O)N1CCC(c2noc(-c3cc(-c4cccs4)[nH]n3)n2)CC1 ZINC000253473162 569282834 /nfs/dbraw/zinc/28/28/34/569282834.db2.gz RVRUYFWLRWFSAV-UHFFFAOYSA-N 0 0 449.536 4.607 50 0 IJAARN COCCn1ccc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)cc21 ZINC000252509545 569288155 /nfs/dbraw/zinc/28/81/55/569288155.db2.gz YQEPZOFLSNZQGP-DEOSSOPVSA-N 0 0 438.531 4.878 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(Cl)c1 ZINC000002366943 569288506 /nfs/dbraw/zinc/28/85/06/569288506.db2.gz SPVQFEQCJCMBDK-UHFFFAOYSA-N 0 0 444.004 4.957 50 0 IJAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002369917 569288842 /nfs/dbraw/zinc/28/88/42/569288842.db2.gz DCUTXYJFDIFGER-UZLBHIALSA-N 0 0 445.585 4.672 50 0 IJAARN COc1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000002376515 569289483 /nfs/dbraw/zinc/28/94/83/569289483.db2.gz YMOBXJJLYXBYPI-JHOBJCJYSA-N 0 0 433.485 4.714 50 0 IJAARN CN(C(=O)Cn1c2ccccc2nc1C[S@@](=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008855344 569291169 /nfs/dbraw/zinc/29/11/69/569291169.db2.gz VMGBNMKSOZCBMK-PMERELPUSA-N 0 0 437.952 4.661 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002398658 569298733 /nfs/dbraw/zinc/29/87/33/569298733.db2.gz AXVWZPWXGPHYEG-RTBURBONSA-N 0 0 425.920 4.681 50 0 IJAARN O=C(C=Cc1cc(Cl)ccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009991436 569298977 /nfs/dbraw/zinc/29/89/77/569298977.db2.gz OYIMHOHQAJGCTC-QHHAFSJGSA-N 0 0 446.330 4.899 50 0 IJAARN COC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccc(C)cc2)S1 ZINC000002404592 569299988 /nfs/dbraw/zinc/29/99/88/569299988.db2.gz QUMRGUMSXLLHFN-JOCHJYFZSA-N 0 0 439.562 4.720 50 0 IJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002407928 569300355 /nfs/dbraw/zinc/30/03/55/569300355.db2.gz RJVSYSMTEOLZRO-UHFFFAOYSA-N 0 0 435.531 4.578 50 0 IJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@H](C)CC3 ZINC000002409354 569300514 /nfs/dbraw/zinc/30/05/14/569300514.db2.gz JGDCVAIAIMWBAC-LLVKDONJSA-N 0 0 430.986 4.985 50 0 IJAARN CCCCCOC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc21 ZINC000002410521 569300773 /nfs/dbraw/zinc/30/07/73/569300773.db2.gz NAIOXXKHLDDJLM-UHFFFAOYSA-N 0 0 434.496 4.520 50 0 IJAARN Cn1nc(-c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)c2ccccc2c1=O ZINC000002410946 569300905 /nfs/dbraw/zinc/30/09/05/569300905.db2.gz VKHNDKZPFRNAAQ-UHFFFAOYSA-N 0 0 435.483 4.771 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002414797 569301403 /nfs/dbraw/zinc/30/14/03/569301403.db2.gz JWBHBKBWXWCEJG-HXUWFJFHSA-N 0 0 447.516 4.800 50 0 IJAARN CCn1c(=O)c2sccc2nc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000027827747 569301768 /nfs/dbraw/zinc/30/17/68/569301768.db2.gz IGGCLUIVSCVBJB-UHFFFAOYSA-N 0 0 445.591 4.911 50 0 IJAARN Brc1ccc(-c2nn3c(nnc3-c3ccc(Br)cc3)s2)o1 ZINC000002453355 569305508 /nfs/dbraw/zinc/30/55/08/569305508.db2.gz OEBLRRBDXZBLMS-UHFFFAOYSA-N 0 0 426.093 4.638 50 0 IJAARN Cc1c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002427797 569302746 /nfs/dbraw/zinc/30/27/46/569302746.db2.gz CAZJRLGQLNCMJK-UHFFFAOYSA-N 0 0 443.540 4.971 50 0 IJAARN CCc1cccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002427847 569302760 /nfs/dbraw/zinc/30/27/60/569302760.db2.gz QRHLLXJNFKGLAS-UHFFFAOYSA-N 0 0 428.517 4.551 50 0 IJAARN CCCCCOC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002429346 569302878 /nfs/dbraw/zinc/30/28/78/569302878.db2.gz FQUNBZOXDMZXNE-UHFFFAOYSA-N 0 0 432.524 4.765 50 0 IJAARN Cn1c2cn(Cc3ccc(Cl)cc3)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002431203 569303210 /nfs/dbraw/zinc/30/32/10/569303210.db2.gz AMRLWFGFIUZKSO-UHFFFAOYSA-N 0 0 435.955 4.705 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002441781 569304152 /nfs/dbraw/zinc/30/41/52/569304152.db2.gz VEWYUBSPGMXMSD-UHFFFAOYSA-N 0 0 443.478 4.916 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(C)cc1 ZINC000002447736 569304498 /nfs/dbraw/zinc/30/44/98/569304498.db2.gz XVFWWWCWLQMWAG-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN CS(=O)(=O)Cc1cc(Sc2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000012953014 569305222 /nfs/dbraw/zinc/30/52/22/569305222.db2.gz DSUXECWRCITLSZ-UHFFFAOYSA-N 0 0 435.368 4.602 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cccc(Br)c4)cc3)nn2)n1 ZINC000013009663 569306639 /nfs/dbraw/zinc/30/66/39/569306639.db2.gz ZBJLSDCTHQLNPN-UHFFFAOYSA-N 0 0 449.312 4.729 50 0 IJAARN C[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O ZINC000013017605 569307273 /nfs/dbraw/zinc/30/72/73/569307273.db2.gz XXDKXMJDYDNCCZ-SNVBAGLBSA-N 0 0 446.315 4.740 50 0 IJAARN CCOC(=O)C1=C(NC(=O)COc2ccc(Cl)cc2C)Nc2ccccc2N=C1CC ZINC000013038269 569307735 /nfs/dbraw/zinc/30/77/35/569307735.db2.gz OIPMVZOSMUBPDR-UHFFFAOYSA-N 0 0 441.915 4.526 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000013112595 569310483 /nfs/dbraw/zinc/31/04/83/569310483.db2.gz OEHHBFCZZKDJEX-IYBDPMFKSA-N 0 0 441.988 4.579 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2c(c1)OCO2 ZINC000013114722 569310811 /nfs/dbraw/zinc/31/08/11/569310811.db2.gz SOQAPCSOCGCLFD-UHFFFAOYSA-N 0 0 443.912 4.549 50 0 IJAARN Fc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@H]2CCCO2)cc1 ZINC000013121556 569311153 /nfs/dbraw/zinc/31/11/53/569311153.db2.gz OZJZXOTVDWDDIH-QGZVFWFLSA-N 0 0 426.473 4.804 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000013137406 569311542 /nfs/dbraw/zinc/31/15/42/569311542.db2.gz RNJPRIDONBYIAU-MRXNPFEDSA-N 0 0 447.354 4.650 50 0 IJAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1SCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000013146114 569311923 /nfs/dbraw/zinc/31/19/23/569311923.db2.gz JEKXHODCBYRYDR-IRXDYDNUSA-N 0 0 435.593 4.599 50 0 IJAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000013149118 569312128 /nfs/dbraw/zinc/31/21/28/569312128.db2.gz UASPCGJSSSFWKD-UHFFFAOYSA-N 0 0 432.476 4.629 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366358 569314329 /nfs/dbraw/zinc/31/43/29/569314329.db2.gz JZRWMYFFLVGSOI-DEOSSOPVSA-N 0 0 434.605 4.951 50 0 IJAARN CCC(CC)c1nn2c(nc(COc3ccc(NC(=O)c4ccccc4)cc3)cc2=O)s1 ZINC000013368323 569314567 /nfs/dbraw/zinc/31/45/67/569314567.db2.gz CAOAOFVXXCROOZ-UHFFFAOYSA-N 0 0 448.548 4.886 50 0 IJAARN c1ccc(C(c2nc(CSc3nnnn3-c3ccccc3)no2)c2ccccc2)cc1 ZINC000013424452 569316154 /nfs/dbraw/zinc/31/61/54/569316154.db2.gz KEQZDYMUOQLZMR-UHFFFAOYSA-N 0 0 426.505 4.518 50 0 IJAARN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(-c2csc(C)n2)c[nH]1 ZINC000078878572 569319847 /nfs/dbraw/zinc/31/98/47/569319847.db2.gz VAFNMXLHQXGXMV-UHFFFAOYSA-N 0 0 434.359 4.750 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078996276 569321751 /nfs/dbraw/zinc/32/17/51/569321751.db2.gz XQFCLUDGTTZVHK-MSOLQXFVSA-N 0 0 442.575 4.729 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000079019498 569322370 /nfs/dbraw/zinc/32/23/70/569322370.db2.gz RDLMCMHZNQXBFI-HXUWFJFHSA-N 0 0 433.474 4.819 50 0 IJAARN Cn1c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)nc2ccsc2c1=O ZINC000079024268 569322658 /nfs/dbraw/zinc/32/26/58/569322658.db2.gz VSIGZJWZASWZRW-QGZVFWFLSA-N 0 0 432.530 4.927 50 0 IJAARN Cc1cc(N2CCC(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)ncn1 ZINC000079045555 569323121 /nfs/dbraw/zinc/32/31/21/569323121.db2.gz QSMJWXVRCMZXEI-UHFFFAOYSA-N 0 0 439.519 4.506 50 0 IJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)cc21 ZINC000019820288 569330106 /nfs/dbraw/zinc/33/01/06/569330106.db2.gz IAFMUYOAAWAUKU-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)CCc1ccccc1 ZINC000019855453 569330578 /nfs/dbraw/zinc/33/05/78/569330578.db2.gz JEMKXMVUDDMSAH-UHFFFAOYSA-N 0 0 426.520 4.636 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019855632 569330632 /nfs/dbraw/zinc/33/06/32/569330632.db2.gz LATTXHDCGKOQMD-UHFFFAOYSA-N 0 0 442.584 4.936 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020114450 569334915 /nfs/dbraw/zinc/33/49/15/569334915.db2.gz BQHXOOVEFCTNLP-RDPSFJRHSA-N 0 0 434.467 4.576 50 0 IJAARN O=C(c1ccc(OC(F)(F)F)cc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826198 569353805 /nfs/dbraw/zinc/35/38/05/569353805.db2.gz FJDBHVZDTBNKMP-UHFFFAOYSA-N 0 0 444.457 4.929 50 0 IJAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000020181269 569355325 /nfs/dbraw/zinc/35/53/25/569355325.db2.gz JGZXNXNOIIOXMM-JJIBRWJFSA-N 0 0 428.557 4.834 50 0 IJAARN Cc1ccc(CNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)cc1 ZINC000020181147 569355337 /nfs/dbraw/zinc/35/53/37/569355337.db2.gz LKYGRBBSRXZKHL-UCQKPKSFSA-N 0 0 432.520 4.930 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1ccc(C)cc1 ZINC000020216285 569356708 /nfs/dbraw/zinc/35/67/08/569356708.db2.gz WIDGWYXNAQPFHV-HSZRJFAPSA-N 0 0 448.563 4.708 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)cc1OC ZINC000020241098 569357903 /nfs/dbraw/zinc/35/79/03/569357903.db2.gz VVGRSXFEMJPZSW-RLFYNMQTSA-N 0 0 432.586 4.841 50 0 IJAARN Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020320584 569360168 /nfs/dbraw/zinc/36/01/68/569360168.db2.gz KWNYYCKEAPGUMD-UHFFFAOYSA-N 0 0 431.355 4.717 50 0 IJAARN COc1ccc(-c2nn3c(nc(CSc4nc5ccccc5s4)cc3=O)s2)cc1 ZINC000020332359 569360928 /nfs/dbraw/zinc/36/09/28/569360928.db2.gz MIKYRKAMZPYUBJ-UHFFFAOYSA-N 0 0 438.559 4.729 50 0 IJAARN CCOc1cccc2c1Oc1nc(-c3ccc(OC)c(OC)c3OC)[nH]c(=S)c1C2 ZINC000020380492 569362544 /nfs/dbraw/zinc/36/25/44/569362544.db2.gz ZRIPNNMPONIALD-UHFFFAOYSA-N 0 0 426.494 4.553 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2cc1OC ZINC000020381296 569362605 /nfs/dbraw/zinc/36/26/05/569362605.db2.gz JVQIEQBJTFMXLO-UHFFFAOYSA-N 0 0 440.565 4.774 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000020382712 569362775 /nfs/dbraw/zinc/36/27/75/569362775.db2.gz YZEQVUFAXGVUBC-UHFFFAOYSA-N 0 0 428.536 4.519 50 0 IJAARN CCOc1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000095394253 569363523 /nfs/dbraw/zinc/36/35/23/569363523.db2.gz GMJHVSIADXDWBG-UHFFFAOYSA-N 0 0 437.367 4.552 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000020412688 569364218 /nfs/dbraw/zinc/36/42/18/569364218.db2.gz WCUOFPDUYJZKGE-HZPDHXFCSA-N 0 0 441.959 4.899 50 0 IJAARN CC(C)[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)OC(C)(C)C ZINC000095414228 569365310 /nfs/dbraw/zinc/36/53/10/569365310.db2.gz XVCYXKVLCGIQEH-KRWDZBQOSA-N 0 0 435.908 4.673 50 0 IJAARN Cc1c(C(=O)Nc2cc(-c3ncco3)ccc2C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000095444057 569367063 /nfs/dbraw/zinc/36/70/63/569367063.db2.gz RYMBKWLMOYPXPL-UHFFFAOYSA-N 0 0 427.386 4.810 50 0 IJAARN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000095455568 569368504 /nfs/dbraw/zinc/36/85/04/569368504.db2.gz GAMOKIGTIGHAQE-UHFFFAOYSA-N 0 0 447.601 4.750 50 0 IJAARN C[C@H](c1cccc(F)c1)N1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000095456931 569368913 /nfs/dbraw/zinc/36/89/13/569368913.db2.gz APPRRWYANFWVSD-OAHLLOKOSA-N 0 0 431.437 4.580 50 0 IJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)NCC2([C@@H](C)CCO)CCC2)s1 ZINC000095463543 569370295 /nfs/dbraw/zinc/37/02/95/569370295.db2.gz HUMXQBSPQLFXDE-AWEZNQCLSA-N 0 0 445.610 4.804 50 0 IJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)c2nc[nH]n2)cc1F ZINC000095467785 569371186 /nfs/dbraw/zinc/37/11/86/569371186.db2.gz GJBQVVPTAROJPZ-QGZVFWFLSA-N 0 0 434.519 4.826 50 0 IJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1OC 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Cc1ccc2nc(NC(=O)CN3CCC(c4nnc(-c5ccsc5)o4)CC3)sc2c1 ZINC000096024422 569380479 /nfs/dbraw/zinc/38/04/79/569380479.db2.gz PEPICHULAPJJKX-UHFFFAOYSA-N 0 0 439.566 4.534 50 0 IJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N(CCc1cccs1)Cc1ccco1 ZINC000096120285 569384925 /nfs/dbraw/zinc/38/49/25/569384925.db2.gz OTWPOYRRUDUORD-UHFFFAOYSA-N 0 0 431.457 4.673 50 0 IJAARN COc1ccc([C@H](NC(=O)/C=C\c2ccc(-c3ccccc3F)o2)c2nccn2C)cc1 ZINC000096129252 569385759 /nfs/dbraw/zinc/38/57/59/569385759.db2.gz XTILCTPDFHNPNN-JYAZYPBOSA-N 0 0 431.467 4.747 50 0 IJAARN O=S(=O)(c1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)cc1)N1CCCCC1 ZINC000096232859 569387895 /nfs/dbraw/zinc/38/78/95/569387895.db2.gz REJQXIXZZJWNHW-JLHYYAGUSA-N 0 0 429.929 4.735 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1)C(=O)CC(C)(C)C ZINC000096279496 569389405 /nfs/dbraw/zinc/38/94/05/569389405.db2.gz MGMAOLCHRLZUFZ-SFHVURJKSA-N 0 0 431.989 4.974 50 0 IJAARN O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCCCC2)C1 ZINC000096280527 569389671 /nfs/dbraw/zinc/38/96/71/569389671.db2.gz VHXNOAFPJSTSLQ-ZJSXRUAMSA-N 0 0 437.559 4.938 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCCC(C)C ZINC000096281174 569389768 /nfs/dbraw/zinc/38/97/68/569389768.db2.gz KVFPRNSHOWVRHT-FTJBHMTQSA-N 0 0 448.607 4.890 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000096293767 569391674 /nfs/dbraw/zinc/39/16/74/569391674.db2.gz SMRATVJCBMYEQV-FQEVSTJZSA-N 0 0 449.334 4.894 50 0 IJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317022 569393018 /nfs/dbraw/zinc/39/30/18/569393018.db2.gz YDNFFSAPYPJBSE-UHFFFAOYSA-N 0 0 426.580 4.587 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096317157 569393128 /nfs/dbraw/zinc/39/31/28/569393128.db2.gz JWURSEPWGMKXEL-GOSISDBHSA-N 0 0 441.595 4.522 50 0 IJAARN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H](O)c1ccc(OCCc3ccccc3)cc1O2 ZINC000096319617 569393969 /nfs/dbraw/zinc/39/39/69/569393969.db2.gz MPYDYYQIRLHPIQ-OFVILXPXSA-N 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ZINC000096396456 569399130 /nfs/dbraw/zinc/39/91/30/569399130.db2.gz DJJUFVHBLCQHAV-UHFFFAOYSA-N 0 0 448.450 4.519 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)cc1Cl ZINC000096397228 569399474 /nfs/dbraw/zinc/39/94/74/569399474.db2.gz MLBJMPMMESQUTH-UHFFFAOYSA-N 0 0 436.899 4.738 50 0 IJAARN O=C([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000096399333 569399912 /nfs/dbraw/zinc/39/99/12/569399912.db2.gz CHRFFHMTUNGGBY-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(S(=O)(=O)C(C)C)sc2c1 ZINC000096399678 569400277 /nfs/dbraw/zinc/40/02/77/569400277.db2.gz QYNNASMSVLDFHS-UHFFFAOYSA-N 0 0 439.946 4.784 50 0 IJAARN O=c1[nH]c(SCc2nc(-c3ccccc3Cl)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000096445819 569400824 /nfs/dbraw/zinc/40/08/24/569400824.db2.gz WEYKYEILDBXTMC-UHFFFAOYSA-N 0 0 435.896 4.914 50 0 IJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000225539054 569403694 /nfs/dbraw/zinc/40/36/94/569403694.db2.gz CJLVRPIOXGCELC-GOSISDBHSA-N 0 0 430.483 4.761 50 0 IJAARN Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000225583226 569404852 /nfs/dbraw/zinc/40/48/52/569404852.db2.gz BYJPFOGOTDBTSH-UHFFFAOYSA-N 0 0 425.536 4.515 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(Cc1ccccc1F)C1CC1 ZINC000028020320 569406376 /nfs/dbraw/zinc/40/63/76/569406376.db2.gz KKLKLYUNAZHFTC-UHFFFAOYSA-N 0 0 433.405 4.844 50 0 IJAARN Cc1nc(-c2ccc(S(=O)(=O)NCC3(c4ccc([C@H](C)O)s4)CCCC3)cc2)co1 ZINC000225684805 569406923 /nfs/dbraw/zinc/40/69/23/569406923.db2.gz GFFARMNEBAJNJP-HNNXBMFYSA-N 0 0 446.594 4.555 50 0 IJAARN COc1cccc(OC)c1C(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C ZINC000028228983 569409286 /nfs/dbraw/zinc/40/92/86/569409286.db2.gz HJDUSAYTLSGVER-UHFFFAOYSA-N 0 0 444.329 4.580 50 0 IJAARN CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2c(NC(C)=O)sc3c2CCCC3)cc1 ZINC000002621856 569411186 /nfs/dbraw/zinc/41/11/86/569411186.db2.gz DKTZZFUPFWHBHB-CQSZACIVSA-N 0 0 428.554 4.894 50 0 IJAARN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1F ZINC000002625485 569411594 /nfs/dbraw/zinc/41/15/94/569411594.db2.gz UEKNGVILKFMGCO-UHFFFAOYSA-N 0 0 427.288 4.560 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1c(F)cccc1F ZINC000002632198 569412526 /nfs/dbraw/zinc/41/25/26/569412526.db2.gz NDFSHMJMKPKSMO-UHFFFAOYSA-N 0 0 441.434 4.534 50 0 IJAARN CCc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002634923 569412904 /nfs/dbraw/zinc/41/29/04/569412904.db2.gz QMGSYQAHIGFZLQ-QZTJIDSGSA-N 0 0 435.593 4.545 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc12 ZINC000002639394 569413353 /nfs/dbraw/zinc/41/33/53/569413353.db2.gz HQEDAKDRUBAQOA-UHFFFAOYSA-N 0 0 445.422 4.608 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)NC(=O)NCc1ccccc1 ZINC000002639498 569413400 /nfs/dbraw/zinc/41/34/00/569413400.db2.gz IKDSKSIDSICKGE-UHFFFAOYSA-N 0 0 446.507 4.554 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)NC3CCC(C)CC3)c2oc1-c1ccccc1 ZINC000002643530 569413959 /nfs/dbraw/zinc/41/39/59/569413959.db2.gz ONQCUXNIKHUHCU-UHFFFAOYSA-N 0 0 433.504 4.620 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(CCc2ccccc2)Cc2ccccc2)c1C ZINC000002644332 569414034 /nfs/dbraw/zinc/41/40/34/569414034.db2.gz VDMAUFSJPZHLMN-OAQYLSRUSA-N 0 0 446.547 4.651 50 0 IJAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C2=O ZINC000002645730 569414156 /nfs/dbraw/zinc/41/41/56/569414156.db2.gz KBSLWMSCKFTXJD-UHFFFAOYSA-N 0 0 441.915 4.572 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](C)N(C)C)n1Cc1ccccc1 ZINC000002664372 569416379 /nfs/dbraw/zinc/41/63/79/569416379.db2.gz CTIIWGTVGKCKJG-MRXNPFEDSA-N 0 0 444.004 4.642 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc(C)c(F)c4)nc3c2)cc1 ZINC000002664438 569416528 /nfs/dbraw/zinc/41/65/28/569416528.db2.gz OJTFVUMKMPMHNJ-UHFFFAOYSA-N 0 0 427.457 4.828 50 0 IJAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1ccc(Cl)cc1 ZINC000002689866 569416899 /nfs/dbraw/zinc/41/68/99/569416899.db2.gz MNCLCXXUUZTFQH-UHFFFAOYSA-N 0 0 434.854 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/nfs/dbraw/zinc/42/27/56/569422756.db2.gz DIRXZMVDWCLIQH-UHFFFAOYSA-N 0 0 443.414 4.840 50 0 IJAARN Cc1cccc(Cn2cnc(NC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)n2)c1 ZINC000002867773 569423729 /nfs/dbraw/zinc/42/37/29/569423729.db2.gz WAQDFYMIJZXZOA-UHFFFAOYSA-N 0 0 434.503 4.806 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1 ZINC000002938301 569426348 /nfs/dbraw/zinc/42/63/48/569426348.db2.gz GQLFSPXQUQVOEB-UHFFFAOYSA-N 0 0 434.646 4.536 50 0 IJAARN COc1cc(OC)cc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)c1 ZINC000002943126 569426771 /nfs/dbraw/zinc/42/67/71/569426771.db2.gz RYCMJAWJZQRTHD-UHFFFAOYSA-N 0 0 443.503 4.779 50 0 IJAARN C[C@H](CNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000002948318 569427167 /nfs/dbraw/zinc/42/71/67/569427167.db2.gz DGGMKNGJVRONIH-HXUWFJFHSA-N 0 0 430.577 4.816 50 0 IJAARN COc1cn(-c2ccc(F)cc2)c(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1=O ZINC000226795231 569429404 /nfs/dbraw/zinc/42/94/04/569429404.db2.gz VIGQXKCSEZVFMZ-UHFFFAOYSA-N 0 0 443.887 4.981 50 0 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/nfs/dbraw/zinc/43/45/35/569434535.db2.gz UFNYPIHDXJWLFH-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)NCc3ccccc3)nc3ccsc3c2=O)cc1C ZINC000057426317 569434544 /nfs/dbraw/zinc/43/45/44/569434544.db2.gz FWKUXFFEOWWIGF-UHFFFAOYSA-N 0 0 449.601 4.532 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000003022225 569435990 /nfs/dbraw/zinc/43/59/90/569435990.db2.gz OWNZVQPHYUDYPQ-UHFFFAOYSA-N 0 0 446.931 4.942 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000057486694 569436524 /nfs/dbraw/zinc/43/65/24/569436524.db2.gz AMUJMPOTZICEKR-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN COc1cc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc(OC)c1 ZINC000057487245 569436711 /nfs/dbraw/zinc/43/67/11/569436711.db2.gz KTYMBZNJPCVJOD-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1)NCc1ccccc1 ZINC000057487860 569436846 /nfs/dbraw/zinc/43/68/46/569436846.db2.gz ZAXFCTOHFNYPHD-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)Nc1ccccc1 ZINC000057487817 569436848 /nfs/dbraw/zinc/43/68/48/569436848.db2.gz IVZDLKNAYAPFRI-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N(C)C2CCCCC2)c(C)c1 ZINC000057488596 569436983 /nfs/dbraw/zinc/43/69/83/569436983.db2.gz KLSGUBUNUOQOFW-UHFFFAOYSA-N 0 0 441.622 4.947 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 ZINC000057489416 569437054 /nfs/dbraw/zinc/43/70/54/569437054.db2.gz VUUXYPDDOOESJD-UHFFFAOYSA-N 0 0 433.574 4.635 50 0 IJAARN COc1cccc(CNC(=O)c2cnn3c2nc(C)c(Cc2c(C)cc(C)cc2C)c3C)c1 ZINC000003035567 569437933 /nfs/dbraw/zinc/43/79/33/569437933.db2.gz FHCXXXWFVJPVNO-UHFFFAOYSA-N 0 0 442.563 4.801 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2nc(C)c(Cc3ccccc3F)c(C)n2n1 ZINC000003036375 569437969 /nfs/dbraw/zinc/43/79/69/569437969.db2.gz LKKZTXKFFSIKLZ-UHFFFAOYSA-N 0 0 449.555 4.764 50 0 IJAARN COc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000003039396 569438044 /nfs/dbraw/zinc/43/80/44/569438044.db2.gz IAVUAMVILKPMHE-DEOSSOPVSA-N 0 0 440.971 4.984 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000003039398 569438063 /nfs/dbraw/zinc/43/80/63/569438063.db2.gz IAVUAMVILKPMHE-XMMPIXPASA-N 0 0 440.971 4.984 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040799 569438406 /nfs/dbraw/zinc/43/84/06/569438406.db2.gz DILSNNCENPQLDN-HXUWFJFHSA-N 0 0 444.556 4.907 50 0 IJAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1 ZINC000057523098 569439057 /nfs/dbraw/zinc/43/90/57/569439057.db2.gz YYBVXADWCPMFGI-UHFFFAOYSA-N 0 0 432.549 4.923 50 0 IJAARN CCc1cc(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(-c2ccccc2)n1 ZINC000057527166 569439179 /nfs/dbraw/zinc/43/91/79/569439179.db2.gz LWFOILFGFXBOPD-UHFFFAOYSA-N 0 0 435.833 4.784 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000003070982 569439842 /nfs/dbraw/zinc/43/98/42/569439842.db2.gz VHLXMNVPKZZQAV-QGZVFWFLSA-N 0 0 444.815 4.645 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O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270163 569443511 /nfs/dbraw/zinc/44/35/11/569443511.db2.gz QYJMYSFKEXWKQD-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003273633 569443642 /nfs/dbraw/zinc/44/36/42/569443642.db2.gz GXAGTNAWUBSBKP-INIZCTEOSA-N 0 0 445.519 4.595 50 0 IJAARN CC(=O)c1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)cc1 ZINC000003282680 569443958 /nfs/dbraw/zinc/44/39/58/569443958.db2.gz JJQYLCRNRANJKJ-UHFFFAOYSA-N 0 0 443.908 4.587 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cc1 ZINC000003286434 569444122 /nfs/dbraw/zinc/44/41/22/569444122.db2.gz YHJJRXVRBGQQPD-UHFFFAOYSA-N 0 0 426.545 4.924 50 0 IJAARN Cc1c(OCC(=O)NCCc2ccccc2)ccc2c(=O)c(Oc3ccccc3)coc12 ZINC000003289915 569444261 /nfs/dbraw/zinc/44/42/61/569444261.db2.gz RZBBYRXWLLTSMW-UHFFFAOYSA-N 0 0 429.472 4.631 50 0 IJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003288891 569444263 /nfs/dbraw/zinc/44/42/63/569444263.db2.gz BXIJTOLQHMMGCQ-UHFFFAOYSA-N 0 0 431.332 4.515 50 0 IJAARN CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000057991126 569444308 /nfs/dbraw/zinc/44/43/08/569444308.db2.gz WULWUIJFJWNMPU-KDOFPFPSSA-N 0 0 444.329 4.780 50 0 IJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000003290470 569444347 /nfs/dbraw/zinc/44/43/47/569444347.db2.gz INSNQNKHYRMMMO-HXUWFJFHSA-N 0 0 440.293 4.995 50 0 IJAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 ZINC000003293184 569444528 /nfs/dbraw/zinc/44/45/28/569444528.db2.gz QKSSWNMMSPQBPS-UHFFFAOYSA-N 0 0 438.940 4.995 50 0 IJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCCCCC1 ZINC000003295020 569444580 /nfs/dbraw/zinc/44/45/80/569444580.db2.gz DONWOOHKNGMIJE-UHFFFAOYSA-N 0 0 447.655 4.695 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000058021438 569445401 /nfs/dbraw/zinc/44/54/01/569445401.db2.gz OMRFOEQOVSEXLA-UHFFFAOYSA-N 0 0 441.403 4.550 50 0 IJAARN COc1cc(CNC(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc(OC)c1OC ZINC000058048538 569445996 /nfs/dbraw/zinc/44/59/96/569445996.db2.gz YTZPIVUELISIEV-UHFFFAOYSA-N 0 0 428.435 4.979 50 0 IJAARN C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000003329360 569446376 /nfs/dbraw/zinc/44/63/76/569446376.db2.gz NXGJZNPOZQNBSO-MRXNPFEDSA-N 0 0 435.501 4.512 50 0 IJAARN COCCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000003332759 569446520 /nfs/dbraw/zinc/44/65/20/569446520.db2.gz DOAUXYYTFPSZJA-JOCHJYFZSA-N 0 0 430.533 4.703 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000003333145 569446521 /nfs/dbraw/zinc/44/65/21/569446521.db2.gz CAQXRVNNYSGBAR-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2cc1C(C)C ZINC000003333122 569446561 /nfs/dbraw/zinc/44/65/61/569446561.db2.gz KUJKOQMBFMKGTH-NRFANRHFSA-N 0 0 437.517 4.771 50 0 IJAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)C1c2ccccc2Oc2ccccc21 ZINC000003332387 569446567 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IJAARN COc1ccccc1-n1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2ccccc2c1=O ZINC000003362736 569447959 /nfs/dbraw/zinc/44/79/59/569447959.db2.gz RVEKAQOWPPKNHV-QGZVFWFLSA-N 0 0 445.544 4.538 50 0 IJAARN O=C(OCc1csc(-c2ccccc2)n1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000003365715 569448167 /nfs/dbraw/zinc/44/81/67/569448167.db2.gz KNMJLAJUQOLNKR-UHFFFAOYSA-N 0 0 439.496 4.866 50 0 IJAARN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)CCn1c2ccccc2oc1=O ZINC000058156863 569448966 /nfs/dbraw/zinc/44/89/66/569448966.db2.gz ARXYHOGOJGKSTL-HXUWFJFHSA-N 0 0 444.531 4.653 50 0 IJAARN Cc1ccc(CN(C)Cn2nc(-c3c[nH]c4ccccc43)n(C[C@H]3CCCO3)c2=S)o1 ZINC000003397091 569449506 /nfs/dbraw/zinc/44/95/06/569449506.db2.gz FQPVSDWGAIZWPP-QGZVFWFLSA-N 0 0 437.569 4.732 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)s1 ZINC000003405401 569449902 /nfs/dbraw/zinc/44/99/02/569449902.db2.gz ULMHDKVFVQPFMY-UHFFFAOYSA-N 0 0 436.946 4.683 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003416403 569450266 /nfs/dbraw/zinc/45/02/66/569450266.db2.gz XDLNPURGXLFWPA-UHFFFAOYSA-N 0 0 433.577 4.964 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003450728 569451611 /nfs/dbraw/zinc/45/16/11/569451611.db2.gz LDVFFKYHOLTDDD-SFHVURJKSA-N 0 0 429.545 4.588 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cccnc1 ZINC000003486970 569452372 /nfs/dbraw/zinc/45/23/72/569452372.db2.gz NRRWFCGTRQLRRL-SFHVURJKSA-N 0 0 429.549 4.607 50 0 IJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)o1 ZINC000003490599 569452480 /nfs/dbraw/zinc/45/24/80/569452480.db2.gz CXZOGHFAGHSKHU-UHFFFAOYSA-N 0 0 426.881 4.711 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000003504359 569452921 /nfs/dbraw/zinc/45/29/21/569452921.db2.gz OIZKWHRWFHNTBJ-GOSISDBHSA-N 0 0 444.560 4.652 50 0 IJAARN Cc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2N)cc1 ZINC000003531133 569453429 /nfs/dbraw/zinc/45/34/29/569453429.db2.gz XDIXAIDWLZRSML-FQEVSTJZSA-N 0 0 433.512 4.579 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1Cc1ccccc1 ZINC000003534855 569453514 /nfs/dbraw/zinc/45/35/14/569453514.db2.gz DLOHALDJNRBJND-QGZVFWFLSA-N 0 0 432.549 4.864 50 0 IJAARN Cc1cc(NC(=O)C2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)no1 ZINC000058482084 569455270 /nfs/dbraw/zinc/45/52/70/569455270.db2.gz QULXOGPPRZFIHS-QGZVFWFLSA-N 0 0 429.586 4.686 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031391428 569456242 /nfs/dbraw/zinc/45/62/42/569456242.db2.gz GQCIRGGBFZZMGD-LJQANCHMSA-N 0 0 430.533 4.645 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000031450690 569456497 /nfs/dbraw/zinc/45/64/97/569456497.db2.gz XVTRNVDNJWVAOB-UHFFFAOYSA-N 0 0 436.270 4.807 50 0 IJAARN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCCOC1CCCCC1 ZINC000031498149 569456630 /nfs/dbraw/zinc/45/66/30/569456630.db2.gz ZZKXTJXJYHTGPD-UHFFFAOYSA-N 0 0 437.403 4.971 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031903646 569458295 /nfs/dbraw/zinc/45/82/95/569458295.db2.gz CCYHDJCTYWGRKL-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CCCCN1CC(=O)N2C[C@H](c3ccc(CC)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004083253 569458713 /nfs/dbraw/zinc/45/87/13/569458713.db2.gz RHLKLMLPBKENFV-ZBLYBZFDSA-N 0 0 429.564 4.562 50 0 biogenic IJAARN CCc1ccc([C@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004084141 569458798 /nfs/dbraw/zinc/45/87/98/569458798.db2.gz CYCISJJEWYAGFQ-XADOIVSYSA-N 0 0 429.564 4.560 50 0 biogenic IJAARN O=C1Nc2cccc(Cl)c2[C@@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032089563 569459511 /nfs/dbraw/zinc/45/95/11/569459511.db2.gz ZRMSAMFWKNQTIK-IBGZPJMESA-N 0 0 432.789 4.774 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000032091321 569459578 /nfs/dbraw/zinc/45/95/78/569459578.db2.gz HJJPUENVGLKZHP-HXUWFJFHSA-N 0 0 446.469 4.843 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OCC ZINC000032091264 569459609 /nfs/dbraw/zinc/45/96/09/569459609.db2.gz YOVBDFAOFXRWER-CQSZACIVSA-N 0 0 427.892 4.545 50 0 IJAARN CC[C@]1(C)Cc2nc3sc4c(ncn(Cc5ccccc5Cl)c4=O)c3cc2CO1 ZINC000032092606 569459637 /nfs/dbraw/zinc/45/96/37/569459637.db2.gz DLROAHXRVXHGRX-JOCHJYFZSA-N 0 0 425.941 4.949 50 0 IJAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032095541 569459847 /nfs/dbraw/zinc/45/98/47/569459847.db2.gz BIBLNBDBTNYGIV-DEOSSOPVSA-N 0 0 441.531 4.505 50 0 IJAARN COc1c2c(c(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)c3c1CN(C)CC3)OCO2 ZINC000032124303 569460363 /nfs/dbraw/zinc/46/03/63/569460363.db2.gz GURAFIDEBOWBRC-UHFFFAOYSA-N 0 0 440.883 4.578 50 0 biogenic IJAARN CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546053 569463424 /nfs/dbraw/zinc/46/34/24/569463424.db2.gz MWMYSGMMYOWRIF-QFIPXVFZSA-N 0 0 440.565 4.976 50 0 IJAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1)Nc1ccccc1 ZINC000038654712 569465803 /nfs/dbraw/zinc/46/58/03/569465803.db2.gz XXQSFPKFAQVHDI-UHFFFAOYSA-N 0 0 448.573 4.595 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2F)c(OC)c1 ZINC000067258928 569466193 /nfs/dbraw/zinc/46/61/93/569466193.db2.gz OFQQWKKNJBJXBW-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2F)c1 ZINC000067258981 569466226 /nfs/dbraw/zinc/46/62/26/569466226.db2.gz RCOIIQSVSGBGFY-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N[C@@H](C)c4ccccc4)ccn3n2)cc1 ZINC000067261014 569466468 /nfs/dbraw/zinc/46/64/68/569466468.db2.gz BUMJCUXSQVLKKQ-IBGZPJMESA-N 0 0 428.536 4.554 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)N[C@H]4CCc5ccccc54)nccn3n2)cc1C ZINC000067290043 569467587 /nfs/dbraw/zinc/46/75/87/569467587.db2.gz GKBZHJGYERQKLI-NRFANRHFSA-N 0 0 428.561 4.909 50 0 IJAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067296745 569468003 /nfs/dbraw/zinc/46/80/03/569468003.db2.gz LRBWOCQAQSLHCD-PNHLSOANSA-N 0 0 427.460 4.798 50 0 IJAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067296737 569468026 /nfs/dbraw/zinc/46/80/26/569468026.db2.gz NYGOFTDPIHFCNG-PNHLSOANSA-N 0 0 427.460 4.798 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(Cl)ccc3F)oc21 ZINC000067299135 569468138 /nfs/dbraw/zinc/46/81/38/569468138.db2.gz JVJAUSOVFYQNNV-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(F)ccc3Cl)oc21 ZINC000067299055 569468182 /nfs/dbraw/zinc/46/81/82/569468182.db2.gz ROXLMLZJCPSGHZ-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN Clc1cccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)o3)n2)c1 ZINC000008705502 569470437 /nfs/dbraw/zinc/47/04/37/569470437.db2.gz VZIDNFPPKJBZMP-OAHLLOKOSA-N 0 0 428.857 4.578 50 0 IJAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 ZINC000008722328 569471810 /nfs/dbraw/zinc/47/18/10/569471810.db2.gz XAEPHGUQAHDLDA-MIJFHGAZSA-N 0 0 434.517 4.939 50 0 IJAARN Cc1ccccc1OCc1nc(SCC(=O)N[C@@H](C)c2cccc3ccccc32)n[nH]1 ZINC000008723731 569471875 /nfs/dbraw/zinc/47/18/75/569471875.db2.gz GMKVVSIZVCSBND-KRWDZBQOSA-N 0 0 432.549 4.815 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCOc2ccc(C)cc2)cc1 ZINC000008735242 569472582 /nfs/dbraw/zinc/47/25/82/569472582.db2.gz KKSVJJVOOPFADE-UHFFFAOYSA-N 0 0 434.561 4.843 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3cccc(Br)c3)n2)cc1 ZINC000008734468 569472617 /nfs/dbraw/zinc/47/26/17/569472617.db2.gz FHJGVBHTHYMAOU-UHFFFAOYSA-N 0 0 446.326 4.549 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3ccc4nc(C)sc4c3)cs2)cc1OC ZINC000008748901 569473250 /nfs/dbraw/zinc/47/32/50/569473250.db2.gz CHNVDKLVWHYYRE-UHFFFAOYSA-N 0 0 425.535 4.927 50 0 IJAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000008753860 569473752 /nfs/dbraw/zinc/47/37/52/569473752.db2.gz NSQQRUPFFNXVNF-FQEVSTJZSA-N 0 0 449.454 4.693 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)C(Sc2ccc(Cl)cc2)=C(N2CCOCC2)C1=O ZINC000008763867 569474576 /nfs/dbraw/zinc/47/45/76/569474576.db2.gz QABVKFMPSUBRFH-UHFFFAOYSA-N 0 0 449.359 4.511 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000008765898 569474789 /nfs/dbraw/zinc/47/47/89/569474789.db2.gz ROAAYCRUVBXQCA-UHFFFAOYSA-N 0 0 429.545 4.919 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc(OCC)c1OCC ZINC000008768638 569474994 /nfs/dbraw/zinc/47/49/94/569474994.db2.gz ASQKZOWKNDNOBV-UHFFFAOYSA-N 0 0 440.540 4.824 50 0 IJAARN O=C1C[C@]2(CC(c3ccc(Cl)cc3Cl)=NO2)C(=O)N1c1ccc2ccccc2c1 ZINC000008769168 569475015 /nfs/dbraw/zinc/47/50/15/569475015.db2.gz LMOPQHLYLNVECS-JOCHJYFZSA-N 0 0 425.271 4.973 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cs1 ZINC000008777544 569475410 /nfs/dbraw/zinc/47/54/10/569475410.db2.gz JUDVIHRGCGKVQS-UHFFFAOYSA-N 0 0 432.549 4.763 50 0 IJAARN CCc1ccc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789852 569475979 /nfs/dbraw/zinc/47/59/79/569475979.db2.gz URJUEIZDCMMAJU-DFHRPNOPSA-N 0 0 441.575 4.704 50 0 biogenic IJAARN COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1 ZINC000008791410 569476217 /nfs/dbraw/zinc/47/62/17/569476217.db2.gz WZAYWEYCLUAWHX-UHFFFAOYSA-N 0 0 431.488 4.594 50 0 biogenic IJAARN COc1cccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)oc3ccccc3c2=O)c1 ZINC000008791452 569476236 /nfs/dbraw/zinc/47/62/36/569476236.db2.gz XLASZWFGKVBHHP-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN Cc1cc(C)n2c(nnc2S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000008825178 569477356 /nfs/dbraw/zinc/47/73/56/569477356.db2.gz SBRKHSXREPPAGP-SNVBAGLBSA-N 0 0 429.855 4.533 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000008825985 569477511 /nfs/dbraw/zinc/47/75/11/569477511.db2.gz CUBUDIISXNTEJV-MJGOQNOKSA-N 0 0 447.398 4.557 50 0 IJAARN COc1ccccc1Cn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000008836594 569478066 /nfs/dbraw/zinc/47/80/66/569478066.db2.gz DJHKOLYSSQJPJD-UHFFFAOYSA-N 0 0 438.487 4.581 50 0 IJAARN CC(C)OCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000008836707 569478131 /nfs/dbraw/zinc/47/81/31/569478131.db2.gz DCSKXMKWVJAPJQ-UHFFFAOYSA-N 0 0 435.572 4.602 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1Cl ZINC000008840686 569478369 /nfs/dbraw/zinc/47/83/69/569478369.db2.gz WRRXJPNNDMNDHN-UHFFFAOYSA-N 0 0 440.952 4.929 50 0 IJAARN CCCCN1c2ccc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)cc2CCC1=O ZINC000008840787 569478415 /nfs/dbraw/zinc/47/84/15/569478415.db2.gz IWHHYGJULJENNK-UHFFFAOYSA-N 0 0 430.570 4.602 50 0 IJAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1cccnc1)c1ccc(Cl)cc1 ZINC000008844629 569478632 /nfs/dbraw/zinc/47/86/32/569478632.db2.gz MGEHWXQHPWVXNC-UHFFFAOYSA-N 0 0 431.926 4.896 50 0 IJAARN Cc1nn(C[C@@H](O)COc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)c(C)c1C ZINC000008844829 569478653 /nfs/dbraw/zinc/47/86/53/569478653.db2.gz PCMHLYNQNOWTCF-HXUWFJFHSA-N 0 0 448.519 4.764 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c1 ZINC000008851022 569479342 /nfs/dbraw/zinc/47/93/42/569479342.db2.gz FERWXLQPGUXYHM-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000008851494 569479426 /nfs/dbraw/zinc/47/94/26/569479426.db2.gz XSXYPZAGHMYHOE-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008852004 569479460 /nfs/dbraw/zinc/47/94/60/569479460.db2.gz OQEXCGGPTUEVND-UHFFFAOYSA-N 0 0 445.541 4.593 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1 ZINC000008852792 569479515 /nfs/dbraw/zinc/47/95/15/569479515.db2.gz FLSTWDINRYVMDF-UHFFFAOYSA-N 0 0 445.997 4.695 50 0 IJAARN COc1cc(CSc2nc(CC(=O)Nc3ccccc3OC)cs2)cc(OC)c1 ZINC000008853723 569479565 /nfs/dbraw/zinc/47/95/65/569479565.db2.gz CEUBGAUCDJXGKI-UHFFFAOYSA-N 0 0 430.551 4.642 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)c2C)no1 ZINC000008860809 569479942 /nfs/dbraw/zinc/47/99/42/569479942.db2.gz IZADRCUHTQURTR-UHFFFAOYSA-N 0 0 447.564 4.883 50 0 IJAARN O=C(Nc1cccc2ncccc21)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000008862399 569480168 /nfs/dbraw/zinc/48/01/68/569480168.db2.gz NWJHFLIFLZFBIV-UHFFFAOYSA-N 0 0 439.443 4.566 50 0 IJAARN COc1ccc(-c2nc(CSc3nncn3-c3ccccc3OC)cs2)cc1OC ZINC000008862446 569480217 /nfs/dbraw/zinc/48/02/17/569480217.db2.gz GZWUMZLDBXDRBW-UHFFFAOYSA-N 0 0 440.550 4.709 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000008871425 569480795 /nfs/dbraw/zinc/48/07/95/569480795.db2.gz CFQUDIYWAZKPOW-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2)cc1 ZINC000008874809 569481031 /nfs/dbraw/zinc/48/10/31/569481031.db2.gz KPLPTGSLPISCEZ-NRFANRHFSA-N 0 0 434.517 4.709 50 0 IJAARN O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000008877466 569481191 /nfs/dbraw/zinc/48/11/91/569481191.db2.gz IJQDRKWQQOVADB-UHFFFAOYSA-N 0 0 442.896 4.641 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc2c(c1)OCO2)oc1c3CCCC1 ZINC000008878500 569481284 /nfs/dbraw/zinc/48/12/84/569481284.db2.gz KOJMKRVLGWXRHR-UHFFFAOYSA-N 0 0 431.444 4.636 50 0 biogenic IJAARN COc1cc(OC)nc(Oc2ccccc2C(=O)Nc2cc(C)cc(Br)c2)n1 ZINC000039931300 569481986 /nfs/dbraw/zinc/48/19/86/569481986.db2.gz XRNHUCYJKTXVKK-UHFFFAOYSA-N 0 0 444.285 4.609 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1-c1ccccc1 ZINC000008882366 569482960 /nfs/dbraw/zinc/48/29/60/569482960.db2.gz HLXZQANXUFBVFT-UHFFFAOYSA-N 0 0 442.544 4.927 50 0 IJAARN C[C@@H]1CCCC[C@H]1n1c(SCCCn2c3ccccc3[nH]c2=O)nnc1-c1cccnc1 ZINC000008886953 569483219 /nfs/dbraw/zinc/48/32/19/569483219.db2.gz PZXRPPOSGXMORG-YLJYHZDGSA-N 0 0 448.596 4.917 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008893378 569483546 /nfs/dbraw/zinc/48/35/46/569483546.db2.gz RGAGZEQQEPWKRY-IRXDYDNUSA-N 0 0 433.577 4.970 50 0 IJAARN CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000040043144 569483646 /nfs/dbraw/zinc/48/36/46/569483646.db2.gz GKVYFVBHWRPPTP-UHFFFAOYSA-N 0 0 431.587 4.789 50 0 IJAARN CC[C@H]1CCc2sc(-c3nnc(SCc4nc5ccsc5c(=O)[nH]4)n3C)cc2C1 ZINC000008900650 569484185 /nfs/dbraw/zinc/48/41/85/569484185.db2.gz AOUPAONVKQTRLN-NSHDSACASA-N 0 0 443.623 4.649 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008912301 569484953 /nfs/dbraw/zinc/48/49/53/569484953.db2.gz IZEZUITVJXQFDR-CYBMUJFWSA-N 0 0 446.334 4.836 50 0 IJAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000008913127 569485217 /nfs/dbraw/zinc/48/52/17/569485217.db2.gz NHHWHDIHHVUVDR-UHFFFAOYSA-N 0 0 432.549 4.988 50 0 IJAARN Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1ccc(N(C)C)cc1 ZINC000008913197 569485241 /nfs/dbraw/zinc/48/52/41/569485241.db2.gz WRRYOTVXAJFQLA-UHFFFAOYSA-N 0 0 431.565 4.737 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)sc2c1CCCC2 ZINC000008916360 569485715 /nfs/dbraw/zinc/48/57/15/569485715.db2.gz AMKRBHVASPWPLA-UHFFFAOYSA-N 0 0 425.506 4.779 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008916702 569485814 /nfs/dbraw/zinc/48/58/14/569485814.db2.gz GHVZXQGAPMFDRE-UHFFFAOYSA-N 0 0 426.929 4.941 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008917151 569485978 /nfs/dbraw/zinc/48/59/78/569485978.db2.gz VAQAARJKELSSAH-QFIPXVFZSA-N 0 0 431.444 4.544 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(Cl)s1 ZINC000008922484 569486904 /nfs/dbraw/zinc/48/69/04/569486904.db2.gz GMBFGQKMSXCRPC-QHCPKHFHSA-N 0 0 425.937 4.842 50 0 IJAARN CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(Cl)c1 ZINC000008923640 569487043 /nfs/dbraw/zinc/48/70/43/569487043.db2.gz ZOAYJPGZCNUQIL-GFCCVEGCSA-N 0 0 427.913 4.564 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)o1 ZINC000008923617 569487060 /nfs/dbraw/zinc/48/70/60/569487060.db2.gz IUXMFHNOBGRVDB-QFIPXVFZSA-N 0 0 430.287 4.902 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1cccc2ccccc21 ZINC000008927798 569487317 /nfs/dbraw/zinc/48/73/17/569487317.db2.gz MLWACLSEJMPPLN-HHHXNRCGSA-N 0 0 425.459 4.986 50 0 IJAARN COc1ccc(OC)c(CC[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])c1 ZINC000008932414 569487590 /nfs/dbraw/zinc/48/75/90/569487590.db2.gz HHIFMGOEIDKXGK-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN CCCCN(C)C(=O)Cn1ncc2c3ccccc3n(Cc3c(C)cc(C)cc3C)c2c1=O ZINC000008933255 569487829 /nfs/dbraw/zinc/48/78/29/569487829.db2.gz GCYMUHSOYQXOBI-UHFFFAOYSA-N 0 0 444.579 4.583 50 0 IJAARN CCCCNS(=O)(=O)c1cccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000040104091 569488121 /nfs/dbraw/zinc/48/81/21/569488121.db2.gz OINOYNPHMVLBOZ-MRXNPFEDSA-N 0 0 429.542 4.736 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c(OC)c1 ZINC000040104371 569488171 /nfs/dbraw/zinc/48/81/71/569488171.db2.gz DJDMUGMFAZZHAY-IBGZPJMESA-N 0 0 443.931 4.853 50 0 IJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccccc4C(F)(F)F)C3=O)co2)cc1 ZINC000040116570 569489329 /nfs/dbraw/zinc/48/93/29/569489329.db2.gz ZTZDWSAWRPFNIZ-NRFANRHFSA-N 0 0 429.398 4.636 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000040119043 569489333 /nfs/dbraw/zinc/48/93/33/569489333.db2.gz HUOIUQNGCHNLTB-UHFFFAOYSA-N 0 0 428.897 4.621 50 0 IJAARN COc1ccccc1-n1c(/C=C2/c3ccccc3N(C(C)C)C2=O)nc2ccccc2c1=O ZINC000008951231 569489842 /nfs/dbraw/zinc/48/98/42/569489842.db2.gz CUKQZRSHRIRDED-SILNSSARSA-N 0 0 437.499 4.690 50 0 IJAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1OC ZINC000008959936 569490352 /nfs/dbraw/zinc/49/03/52/569490352.db2.gz CQMSKHGOGNAZMC-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008961202 569491005 /nfs/dbraw/zinc/49/10/05/569491005.db2.gz LJHNYFJVJJJGCD-UHFFFAOYSA-N 0 0 445.294 4.608 50 0 IJAARN CCc1ccccc1NC(=O)[C@H](CC)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965262 569491403 /nfs/dbraw/zinc/49/14/03/569491403.db2.gz ZWKZRPSASWCARN-QHCPKHFHSA-N 0 0 428.536 4.956 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000008965555 569491500 /nfs/dbraw/zinc/49/15/00/569491500.db2.gz HOCMYWIQKBIBPH-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN CC(=O)N1CCC(C(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)CC1 ZINC000008965826 569491576 /nfs/dbraw/zinc/49/15/76/569491576.db2.gz DKRHUHHBSJACFM-UHFFFAOYSA-N 0 0 437.540 4.741 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c1C ZINC000008966070 569491650 /nfs/dbraw/zinc/49/16/50/569491650.db2.gz KPUKTMBEJVVNSO-CYBMUJFWSA-N 0 0 445.610 4.963 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC000040145379 569492074 /nfs/dbraw/zinc/49/20/74/569492074.db2.gz LDTQCUCTSFXDCE-RTBURBONSA-N 0 0 440.609 4.925 50 0 IJAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000040150572 569493142 /nfs/dbraw/zinc/49/31/42/569493142.db2.gz WXOWQXRUDFYHDL-UHFFFAOYSA-N 0 0 442.947 4.528 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1Cc2ccccc2O1 ZINC000040154983 569493790 /nfs/dbraw/zinc/49/37/90/569493790.db2.gz QUIFINMMCYXHEL-RTWAWAEBSA-N 0 0 426.285 4.798 50 0 IJAARN COc1ccc2c(c1)c(C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1)c(C)n2C1CC1 ZINC000040155173 569493895 /nfs/dbraw/zinc/49/38/95/569493895.db2.gz XBZYNTOKEUFPLE-CQSZACIVSA-N 0 0 438.524 4.810 50 0 IJAARN COc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)n2)cc1 ZINC000040156300 569494126 /nfs/dbraw/zinc/49/41/26/569494126.db2.gz KOOHGLRJZVMQCD-UHFFFAOYSA-N 0 0 443.507 4.516 50 0 IJAARN Cc1csc(N(CC(F)(F)F)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)n1 ZINC000040157892 569494377 /nfs/dbraw/zinc/49/43/77/569494377.db2.gz MXWJQSFSHVPZQR-UHFFFAOYSA-N 0 0 447.486 4.792 50 0 IJAARN CN(C[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000040158230 569494504 /nfs/dbraw/zinc/49/45/04/569494504.db2.gz SXLYOYJZGZZJGK-SFHVURJKSA-N 0 0 433.556 4.775 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2cccs2)c1 ZINC000008985244 569494755 /nfs/dbraw/zinc/49/47/55/569494755.db2.gz RBKRCDRJKIRGJE-UHFFFAOYSA-N 0 0 444.578 4.543 50 0 IJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000008989932 569495008 /nfs/dbraw/zinc/49/50/08/569495008.db2.gz CSRSVJNQYFTLKO-UHFFFAOYSA-N 0 0 434.448 4.782 50 0 IJAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009052902 569498807 /nfs/dbraw/zinc/49/88/07/569498807.db2.gz DZMCZCXLJBSPJO-ZDUSSCGKSA-N 0 0 439.518 4.968 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000009056218 569498974 /nfs/dbraw/zinc/49/89/74/569498974.db2.gz CHEREDWNFOOFKL-MRXNPFEDSA-N 0 0 443.528 4.995 50 0 IJAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nnc(-c2ccccc2)o1 ZINC000009056234 569498981 /nfs/dbraw/zinc/49/89/81/569498981.db2.gz KMUKVUJEFOUIAK-UHFFFAOYSA-N 0 0 431.292 4.792 50 0 IJAARN Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4sccc4C(N)=O)c23)cc1 ZINC000009056807 569499153 /nfs/dbraw/zinc/49/91/53/569499153.db2.gz HPHARKJZFNQHAZ-UHFFFAOYSA-N 0 0 440.575 4.558 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040355644 569499808 /nfs/dbraw/zinc/49/98/08/569499808.db2.gz IFLZFPQCUITZSY-UHFFFAOYSA-N 0 0 441.381 4.622 50 0 IJAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000009076837 569500341 /nfs/dbraw/zinc/50/03/41/569500341.db2.gz DTADWXIEVWDHPN-XDOYNYLZSA-N 0 0 430.938 4.793 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245236771 569500399 /nfs/dbraw/zinc/50/03/99/569500399.db2.gz VQRFUCDGOCDZBS-NXMSCROESA-N 0 0 445.629 4.677 50 0 IJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245238822 569500518 /nfs/dbraw/zinc/50/05/18/569500518.db2.gz BLBIZLNLLRQJJB-FGDDKPPBSA-N 0 0 429.630 4.904 50 0 IJAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)NCCC2=CCCCC2)cc1 ZINC000009100727 569501505 /nfs/dbraw/zinc/50/15/05/569501505.db2.gz HNKGYDUDJNLFHE-LJQANCHMSA-N 0 0 439.581 4.831 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1 ZINC000009100730 569501548 /nfs/dbraw/zinc/50/15/48/569501548.db2.gz RQPUFYNGQCONMA-UHFFFAOYSA-N 0 0 440.503 4.721 50 0 IJAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(Cl)cc4)c(=O)n3n2)cc1 ZINC000069350527 569501742 /nfs/dbraw/zinc/50/17/42/569501742.db2.gz KDCRBPKMUXEGOX-UHFFFAOYSA-N 0 0 428.879 4.556 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009111786 569502359 /nfs/dbraw/zinc/50/23/59/569502359.db2.gz ASQUKBNGXXDSDV-UHFFFAOYSA-N 0 0 443.532 4.559 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)CCc2cn(Cc3ccc(C)cc3)c3ccccc23)CC1 ZINC000009116071 569502893 /nfs/dbraw/zinc/50/28/93/569502893.db2.gz BVYGOEMIYZAPOL-UHFFFAOYSA-N 0 0 447.579 4.668 50 0 IJAARN COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5ccccc5C)C4)sc3n2)cc1 ZINC000009117438 569503183 /nfs/dbraw/zinc/50/31/83/569503183.db2.gz NCKVRCXDHUPXDL-SFHVURJKSA-N 0 0 447.564 4.630 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c(C)c1 ZINC000009118279 569503286 /nfs/dbraw/zinc/50/32/86/569503286.db2.gz WPTKBDPDTZTWQR-UHFFFAOYSA-N 0 0 435.593 4.920 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000009119092 569503418 /nfs/dbraw/zinc/50/34/18/569503418.db2.gz UCCBCCYEPFYYHX-UHFFFAOYSA-N 0 0 444.572 4.928 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009119142 569503422 /nfs/dbraw/zinc/50/34/22/569503422.db2.gz PLHMQIAPLUBKOA-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000009119067 569503456 /nfs/dbraw/zinc/50/34/56/569503456.db2.gz QVWKOSGSMMBVCZ-UHFFFAOYSA-N 0 0 430.545 4.538 50 0 IJAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009125150 569504575 /nfs/dbraw/zinc/50/45/75/569504575.db2.gz GIFOIOMAICMSCH-AREMUKBSSA-N 0 0 434.536 4.783 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)cc1 ZINC000009125689 569504689 /nfs/dbraw/zinc/50/46/89/569504689.db2.gz FPPZDFQQOKLOSQ-UHFFFAOYSA-N 0 0 449.576 4.673 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@H](OC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 ZINC000009126608 569504981 /nfs/dbraw/zinc/50/49/81/569504981.db2.gz NNXSEUCAGFNAPI-FQEVSTJZSA-N 0 0 447.915 4.664 50 0 IJAARN COc1cc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000009127404 569505166 /nfs/dbraw/zinc/50/51/66/569505166.db2.gz ICYHHESGXROLFZ-UHFFFAOYSA-N 0 0 448.235 4.675 50 0 IJAARN CCOc1cc(C(=O)OC)cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1OCC ZINC000040478265 569506729 /nfs/dbraw/zinc/50/67/29/569506729.db2.gz 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COc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009187244 569510304 /nfs/dbraw/zinc/51/03/04/569510304.db2.gz BOOLZFOMGSGRQF-NRFANRHFSA-N 0 0 432.863 4.908 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009187243 569510315 /nfs/dbraw/zinc/51/03/15/569510315.db2.gz BOOLZFOMGSGRQF-OAQYLSRUSA-N 0 0 432.863 4.908 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 ZINC000015351395 569510519 /nfs/dbraw/zinc/51/05/19/569510519.db2.gz RSOUJZZOGXBFRM-MRXNPFEDSA-N 0 0 441.778 4.593 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009222622 569512813 /nfs/dbraw/zinc/51/28/13/569512813.db2.gz IUYIYOMQOWHNKY-NRFANRHFSA-N 0 0 432.524 4.599 50 0 IJAARN CC(=O)NCc1ccc(C(=O)COc2ncnc3scc(-c4ccc(C)cc4)c32)s1 ZINC000009223792 569512985 /nfs/dbraw/zinc/51/29/85/569512985.db2.gz CMQQJDHXTRIIFI-UHFFFAOYSA-N 0 0 437.546 4.626 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)NC(C)(C)C)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227838 569513508 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CCOc1cc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc(OCC)c1OCC ZINC000009274742 569518226 /nfs/dbraw/zinc/51/82/26/569518226.db2.gz CMKXHCVRLHECRX-UHFFFAOYSA-N 0 0 431.876 4.838 50 0 IJAARN COc1cc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)ccc1OCc1ccccc1 ZINC000009281230 569518561 /nfs/dbraw/zinc/51/85/61/569518561.db2.gz RHUWECADOQVIMP-MJAMSPNLSA-N 0 0 440.543 4.911 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000009280907 569518575 /nfs/dbraw/zinc/51/85/75/569518575.db2.gz MNKPPGLCQXXWTP-NRFANRHFSA-N 0 0 432.863 4.990 50 0 IJAARN CC1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000009282749 569518714 /nfs/dbraw/zinc/51/87/14/569518714.db2.gz XBFLKIWPSSVNFH-UHFFFAOYSA-N 0 0 434.974 4.509 50 0 IJAARN COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)sc1-2 ZINC000009283411 569518914 /nfs/dbraw/zinc/51/89/14/569518914.db2.gz OIUGJNLYNJIWSP-UHFFFAOYSA-N 0 0 437.517 4.710 50 0 IJAARN CC(=O)Nc1ccc2c(COC(=O)CCC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)oc2c1 ZINC000009284647 569519139 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569523275 /nfs/dbraw/zinc/52/32/75/569523275.db2.gz KNWNUEHYJYHENY-FQEVSTJZSA-N 0 0 438.601 4.792 50 0 IJAARN O=C(CCCOc1cccc2ccccc21)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000069925763 569523935 /nfs/dbraw/zinc/52/39/35/569523935.db2.gz WNYDSUKFJMDUKQ-UHFFFAOYSA-N 0 0 439.515 4.963 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000009345892 569524116 /nfs/dbraw/zinc/52/41/16/569524116.db2.gz FUCIWDOZUKUBCV-UHFFFAOYSA-N 0 0 435.483 4.865 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3ccccc3)C3CCCCC3)n2)cc1 ZINC000009355740 569525305 /nfs/dbraw/zinc/52/53/05/569525305.db2.gz VJIHKOHXJDCUMM-SFHVURJKSA-N 0 0 435.524 4.874 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1Cc2ccccc2-c2ccccc2C1 ZINC000069950919 569525354 /nfs/dbraw/zinc/52/53/54/569525354.db2.gz LGQINFNKHNLSMQ-HXUWFJFHSA-N 0 0 441.575 4.717 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)cc1 ZINC000009364055 569525998 /nfs/dbraw/zinc/52/59/98/569525998.db2.gz QZQIZSRFXAXZRO-UHFFFAOYSA-N 0 0 442.566 4.700 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc43)s2)cc1 ZINC000009364245 569525999 /nfs/dbraw/zinc/52/59/99/569525999.db2.gz DQXSTFFBZUERLL-UHFFFAOYSA-N 0 0 434.546 4.983 50 0 IJAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000009364842 569526049 /nfs/dbraw/zinc/52/60/49/569526049.db2.gz JTZGCJDODHNLPW-UHFFFAOYSA-N 0 0 442.566 4.537 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)n1 ZINC000009365151 569526134 /nfs/dbraw/zinc/52/61/34/569526134.db2.gz QEVYYJGGWNXFKW-UHFFFAOYSA-N 0 0 449.555 4.548 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)c1 ZINC000009368259 569526621 /nfs/dbraw/zinc/52/66/21/569526621.db2.gz JWSIMTVROBFCJW-UHFFFAOYSA-N 0 0 434.546 4.983 50 0 IJAARN CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 ZINC000009381037 569528026 /nfs/dbraw/zinc/52/80/26/569528026.db2.gz HPZNIXKXFIAWHI-UHFFFAOYSA-N 0 0 433.371 4.982 50 0 IJAARN COc1ccc(-n2c(Cn3c4ccccc4sc3=O)nnc2SCCC(C)C)cc1 ZINC000009382873 569528354 /nfs/dbraw/zinc/52/83/54/569528354.db2.gz BCRVYZOBGITQCV-UHFFFAOYSA-N 0 0 440.594 4.839 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000009385052 569528369 /nfs/dbraw/zinc/52/83/69/569528369.db2.gz FDLMYCMDFBTUMC-UHFFFAOYSA-N 0 0 437.902 4.824 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)cc(OC)c1OC ZINC000009391621 569529004 /nfs/dbraw/zinc/52/90/04/569529004.db2.gz GAJGDDKAVRKKSM-UHFFFAOYSA-N 0 0 439.537 4.514 50 0 IJAARN CCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009398842 569529300 /nfs/dbraw/zinc/52/93/00/569529300.db2.gz ZWRBRHABRAOLSA-HUUCEWRRSA-N 0 0 429.973 4.818 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1)n2CC ZINC000009403727 569529519 /nfs/dbraw/zinc/52/95/19/569529519.db2.gz ZPKJPSUBRFLTHS-OAHLLOKOSA-N 0 0 439.537 4.555 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 ZINC000009403979 569529520 /nfs/dbraw/zinc/52/95/20/569529520.db2.gz NQXQKVVBRXPHAZ-UHFFFAOYSA-N 0 0 425.535 4.866 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc(OC)c1OC ZINC000009404491 569529643 /nfs/dbraw/zinc/52/96/43/569529643.db2.gz QJDJVHXDTGLJKN-UHFFFAOYSA-N 0 0 439.537 4.514 50 0 IJAARN Cc1c(C(=O)N(C)c2ccc(Br)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405671 569529971 /nfs/dbraw/zinc/52/99/71/569529971.db2.gz ZIKZEGZYWXIBHC-UHFFFAOYSA-N 0 0 446.370 4.532 50 0 IJAARN CCOc1ccccc1N(CC)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407550 569530232 /nfs/dbraw/zinc/53/02/32/569530232.db2.gz WRJQRARHYBRZFZ-UHFFFAOYSA-N 0 0 427.547 4.768 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1OC ZINC000009407788 569530364 /nfs/dbraw/zinc/53/03/64/569530364.db2.gz NDXFUFOYTHCWPG-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009409079 569530836 /nfs/dbraw/zinc/53/08/36/569530836.db2.gz QSEHVXXMDFTFDJ-RUZDIDTESA-N 0 0 449.551 4.789 50 0 IJAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009409080 569530878 /nfs/dbraw/zinc/53/08/78/569530878.db2.gz QSEHVXXMDFTFDJ-VWLOTQADSA-N 0 0 449.551 4.789 50 0 IJAARN CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000009409142 569530904 /nfs/dbraw/zinc/53/09/04/569530904.db2.gz VRLVFMVMMPEBKQ-SANMLTNESA-N 0 0 439.515 4.969 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000009409172 569530916 /nfs/dbraw/zinc/53/09/16/569530916.db2.gz HWGWMCJJEOFCAJ-SANMLTNESA-N 0 0 439.515 4.887 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OC ZINC000009409231 569530946 /nfs/dbraw/zinc/53/09/46/569530946.db2.gz VROHAKWAGKCPMY-XMMPIXPASA-N 0 0 435.524 4.925 50 0 IJAARN CCCC(=O)N(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000009409839 569531174 /nfs/dbraw/zinc/53/11/74/569531174.db2.gz WHSMQBSOEALKBV-CQSZACIVSA-N 0 0 430.353 4.569 50 0 IJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@](=O)C3)c1C ZINC000009413698 569531830 /nfs/dbraw/zinc/53/18/30/569531830.db2.gz SWKSAJIOKBQTDC-MUUNZHRXSA-N 0 0 434.348 4.811 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1Cl ZINC000009414940 569532095 /nfs/dbraw/zinc/53/20/95/569532095.db2.gz OKDGYOXNRFNVOK-UHFFFAOYSA-N 0 0 427.892 4.623 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cccc4cccnc43)cc2)c1 ZINC000009415346 569532151 /nfs/dbraw/zinc/53/21/51/569532151.db2.gz CEJSHBHMHBAOJG-UHFFFAOYSA-N 0 0 427.460 4.513 50 0 IJAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000009415249 569532191 /nfs/dbraw/zinc/53/21/91/569532191.db2.gz CZJKDVBOFLCUEJ-UHFFFAOYSA-N 0 0 431.366 4.964 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009415798 569532223 /nfs/dbraw/zinc/53/22/23/569532223.db2.gz DHYUCCVLZYBPMH-UHFFFAOYSA-N 0 0 426.563 4.566 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NCc4ccccc4)s3)c2C)no1 ZINC000009417897 569532436 /nfs/dbraw/zinc/53/24/36/569532436.db2.gz RXSKVOAJLHHJML-UHFFFAOYSA-N 0 0 439.566 4.829 50 0 IJAARN O=S(=O)(c1cccs1)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000009421081 569532693 /nfs/dbraw/zinc/53/26/93/569532693.db2.gz JWPJYBUKDJJVJW-HXUWFJFHSA-N 0 0 441.553 4.811 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)CCc1ccccn1)occ3C(C)(C)C ZINC000009422659 569532895 /nfs/dbraw/zinc/53/28/95/569532895.db2.gz FDRQDTQLCVWNQX-UHFFFAOYSA-N 0 0 432.520 4.784 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c(C)c1 ZINC000009427634 569533387 /nfs/dbraw/zinc/53/33/87/569533387.db2.gz OFOSDWLDWMXJCC-AWEZNQCLSA-N 0 0 443.594 4.586 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)sc2c(C)c1 ZINC000009427637 569533417 /nfs/dbraw/zinc/53/34/17/569533417.db2.gz ZDQLCUYZXHMWIK-MRXNPFEDSA-N 0 0 443.594 4.729 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2c1 ZINC000009431094 569534082 /nfs/dbraw/zinc/53/40/82/569534082.db2.gz ZYDBOKGTHBHGGD-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)cc(C)c2)[C@@H]1c1cccs1 ZINC000009432895 569534501 /nfs/dbraw/zinc/53/45/01/569534501.db2.gz YUNBEFNDMDBMPR-PKTZIBPZSA-N 0 0 434.561 4.931 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009433862 569534632 /nfs/dbraw/zinc/53/46/32/569534632.db2.gz RSCSPOSEVWCMBR-IZILLXMLSA-N 0 0 441.940 4.525 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000009435593 569534815 /nfs/dbraw/zinc/53/48/15/569534815.db2.gz HDLKTDHTRHAHBV-UHFFFAOYSA-N 0 0 444.572 4.928 50 0 IJAARN COc1cccc(-n2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3c2=O)c1 ZINC000009438908 569534992 /nfs/dbraw/zinc/53/49/92/569534992.db2.gz BSHMYZDGVIGMDK-LJQANCHMSA-N 0 0 426.516 4.750 50 0 IJAARN COc1cccc(-n2cc(C(=O)N(C)c3cc(Cl)ccc3OC)c3ccccc3c2=O)c1 ZINC000009438834 569535035 /nfs/dbraw/zinc/53/50/35/569535035.db2.gz JSFOOEJZDNFSCO-UHFFFAOYSA-N 0 0 448.906 4.938 50 0 IJAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccn1 ZINC000009441670 569535357 /nfs/dbraw/zinc/53/53/57/569535357.db2.gz IBCGBGZZGCWAGY-QFIPXVFZSA-N 0 0 442.906 4.941 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009449270 569536148 /nfs/dbraw/zinc/53/61/48/569536148.db2.gz DQEHNXWIKOJIOZ-UHFFFAOYSA-N 0 0 447.938 4.697 50 0 IJAARN C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009454039 569536642 /nfs/dbraw/zinc/53/66/42/569536642.db2.gz VUQQRLOPMVYMMA-IBGZPJMESA-N 0 0 430.504 4.798 50 0 IJAARN CCCCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000009463926 569537555 /nfs/dbraw/zinc/53/75/55/569537555.db2.gz CWUOHXXRRQGSJE-HSZRJFAPSA-N 0 0 443.609 4.818 50 0 IJAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009466038 569538070 /nfs/dbraw/zinc/53/80/70/569538070.db2.gz VSOHNBCLVLLPEX-FQEVSTJZSA-N 0 0 449.967 4.904 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4n3C)[C@@H](c3ccco3)C2)cc1 ZINC000009466949 569538340 /nfs/dbraw/zinc/53/83/40/569538340.db2.gz SGPDOPVMXQQJPP-OAQYLSRUSA-N 0 0 446.532 4.645 50 0 IJAARN CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000009469570 569538809 /nfs/dbraw/zinc/53/88/09/569538809.db2.gz XHXPPOJXYYACHC-PMACEKPBSA-N 0 0 441.645 4.525 50 0 IJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009491022 569540247 /nfs/dbraw/zinc/54/02/47/569540247.db2.gz HELFPECLCDJQHX-UHFFFAOYSA-N 0 0 441.443 4.883 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000009493467 569540766 /nfs/dbraw/zinc/54/07/66/569540766.db2.gz WWMLZYVNMHJPGX-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1 ZINC000009496241 569541154 /nfs/dbraw/zinc/54/11/54/569541154.db2.gz CUXWXRQPZHAGQT-HNNXBMFYSA-N 0 0 439.471 4.882 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C(=O)N(C)C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000009512898 569543033 /nfs/dbraw/zinc/54/30/33/569543033.db2.gz JKIGJSIYYWGCCL-JOCHJYFZSA-N 0 0 429.545 4.616 50 0 IJAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccc2ccccc2c1 ZINC000009513135 569543084 /nfs/dbraw/zinc/54/30/84/569543084.db2.gz UWANJMQKADTHLX-NDEPHWFRSA-N 0 0 434.495 4.713 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009514605 569543214 /nfs/dbraw/zinc/54/32/14/569543214.db2.gz MJTWYMFSDCSCBS-UHFFFAOYSA-N 0 0 446.595 4.565 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1Cl ZINC000009514999 569543276 /nfs/dbraw/zinc/54/32/76/569543276.db2.gz UAQGBABNOWHYIL-OAHLLOKOSA-N 0 0 426.973 4.827 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009515534 569543304 /nfs/dbraw/zinc/54/33/04/569543304.db2.gz JBVJMKWHUWVKRQ-UHFFFAOYSA-N 0 0 425.282 4.843 50 0 IJAARN CC[C@H](c1nnc(S[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1Cc1ccccc1)N(C)C ZINC000009516932 569543595 /nfs/dbraw/zinc/54/35/95/569543595.db2.gz CMJQKJBYBWXGRB-RCLSDMTESA-N 0 0 443.661 4.609 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009517624 569543661 /nfs/dbraw/zinc/54/36/61/569543661.db2.gz BJXVISIXWZTDQL-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000009517705 569543769 /nfs/dbraw/zinc/54/37/69/569543769.db2.gz DMNDWUMOIVMLPU-UHFFFAOYSA-N 0 0 439.928 4.598 50 0 IJAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518481 569544067 /nfs/dbraw/zinc/54/40/67/569544067.db2.gz VGRMGXAJTNOGNY-HNNXBMFYSA-N 0 0 444.443 4.820 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3)c2)cc1 ZINC000009527835 569544620 /nfs/dbraw/zinc/54/46/20/569544620.db2.gz JSSQJYCYCLEJCC-UHFFFAOYSA-N 0 0 444.535 4.869 50 0 biogenic IJAARN COc1ccccc1CC[NH2+]Cc1c2ccccc2n(Cc2ccccc2F)c1C(=O)[O-] ZINC000009531260 569545123 /nfs/dbraw/zinc/54/51/23/569545123.db2.gz IDTHLXBRXYEINY-UHFFFAOYSA-N 0 0 432.495 4.868 50 0 IJAARN COc1ccc2c(c1)n(Cc1ccccc1F)c(C(=O)[O-])c2C[NH2+]CCc1cccs1 ZINC000009532063 569545223 /nfs/dbraw/zinc/54/52/23/569545223.db2.gz FQYGSRNUCBJFHA-UHFFFAOYSA-N 0 0 438.524 4.929 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnc2)cc1 ZINC000009544508 569545956 /nfs/dbraw/zinc/54/59/56/569545956.db2.gz YRHDKLQXGWWGRN-AWEZNQCLSA-N 0 0 439.928 4.545 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009545814 569546125 /nfs/dbraw/zinc/54/61/25/569546125.db2.gz AHWMXJNASSBRPS-SFHVURJKSA-N 0 0 433.455 4.621 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1 ZINC000009547297 569546404 /nfs/dbraw/zinc/54/64/04/569546404.db2.gz RFAHWTGVIVHTFV-UHFFFAOYSA-N 0 0 442.471 4.744 50 0 biogenic IJAARN CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)c1C ZINC000009550390 569546650 /nfs/dbraw/zinc/54/66/50/569546650.db2.gz AGRZLPDFIDRZDC-UHFFFAOYSA-N 0 0 433.533 4.772 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(C)c(C)c2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559022 569546892 /nfs/dbraw/zinc/54/68/92/569546892.db2.gz ZROGVKCGOUWEHS-UHFFFAOYSA-N 0 0 440.565 4.924 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(C)c(C)c2)c1S(=O)(=O)c1ccccc1 ZINC000009559048 569546934 /nfs/dbraw/zinc/54/69/34/569546934.db2.gz WAVWGGCDEAWZBE-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)C2CCCCC2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559063 569546954 /nfs/dbraw/zinc/54/69/54/569546954.db2.gz DAIDTYPPKPWYGR-UHFFFAOYSA-N 0 0 438.549 4.808 50 0 IJAARN CCC(CC)C(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1 ZINC000009559062 569546975 /nfs/dbraw/zinc/54/69/75/569546975.db2.gz XHJMYHYZGVCRNO-UHFFFAOYSA-N 0 0 426.538 4.664 50 0 IJAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1c[nH]c2ccccc21 ZINC000009559646 569546988 /nfs/dbraw/zinc/54/69/88/569546988.db2.gz YXPLVEBOOXETFO-XZOQPEGZSA-N 0 0 431.442 4.995 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000009562221 569547302 /nfs/dbraw/zinc/54/73/02/569547302.db2.gz HYKSPEVAGZBIAN-UHFFFAOYSA-N 0 0 438.789 4.706 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)N(C)C3CCCCC3)c3ccccc23)cc1 ZINC000009568864 569547445 /nfs/dbraw/zinc/54/74/45/569547445.db2.gz YJSWPMKRCZVWGO-UHFFFAOYSA-N 0 0 438.593 4.715 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)Nc4ccccc4OC)ccc3c2=O)cc1 ZINC000009575317 569547934 /nfs/dbraw/zinc/54/79/34/569547934.db2.gz ABWSYGQHTNJDJE-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 biogenic IJAARN COc1cc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)cc(OC)c1OC ZINC000009576339 569548062 /nfs/dbraw/zinc/54/80/62/569548062.db2.gz FSKWAGKTZPAFFM-UHFFFAOYSA-N 0 0 437.521 4.982 50 0 IJAARN COc1ccc(CCNC(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cc1 ZINC000070635357 569548622 /nfs/dbraw/zinc/54/86/22/569548622.db2.gz JNYQRKVQNQXLCU-UHFFFAOYSA-N 0 0 434.974 4.857 50 0 IJAARN O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cc(C2CC2)on1 ZINC000070635120 569548645 /nfs/dbraw/zinc/54/86/45/569548645.db2.gz PJXGWFMTLOXVAT-UHFFFAOYSA-N 0 0 426.445 4.967 50 0 IJAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc(Br)ccc1Cl ZINC000009582130 569549164 /nfs/dbraw/zinc/54/91/64/569549164.db2.gz DOMQJLOEQLHVOW-UHFFFAOYSA-N 0 0 427.085 4.736 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)n2)o1 ZINC000009584303 569549400 /nfs/dbraw/zinc/54/94/00/569549400.db2.gz GXXDDACAMPIKBL-UHFFFAOYSA-N 0 0 442.500 4.722 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4ccc5c(c4)OCCO5)cc3)o2)cc1 ZINC000009585571 569549550 /nfs/dbraw/zinc/54/95/50/569549550.db2.gz FLYOWOFPKNMPER-UHFFFAOYSA-N 0 0 441.487 4.755 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@@H]1OC(=O)c3ccccc31)CC2 ZINC000009592782 569550361 /nfs/dbraw/zinc/55/03/61/569550361.db2.gz IQRHBJXJOPTYNK-YADARESESA-N 0 0 449.528 4.541 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000009592975 569550409 /nfs/dbraw/zinc/55/04/09/569550409.db2.gz YCZYNHHJSSXHMW-QHCPKHFHSA-N 0 0 445.446 4.782 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000009593570 569550449 /nfs/dbraw/zinc/55/04/49/569550449.db2.gz IFCGCPFBPMOFFV-UHFFFAOYSA-N 0 0 434.323 4.648 50 0 IJAARN O=C(CSc1nc2ccccc2nc1N1CCCC1)Nc1ccc(Br)cc1 ZINC000009594573 569550587 /nfs/dbraw/zinc/55/05/87/569550587.db2.gz ISAHLTMREIZXNF-UHFFFAOYSA-N 0 0 443.370 4.723 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccn(OCc2ccccc2F)c1=O ZINC000009599683 569551307 /nfs/dbraw/zinc/55/13/07/569551307.db2.gz ZYWHUOFODUVSQX-UHFFFAOYSA-N 0 0 440.780 4.541 50 0 IJAARN COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(-c4nnco4)cc3)c2C)cc1 ZINC000009603443 569551755 /nfs/dbraw/zinc/55/17/55/569551755.db2.gz OJUZHAQFPYQYSG-UHFFFAOYSA-N 0 0 431.492 4.668 50 0 IJAARN COc1ccccc1CNC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000009609926 569552494 /nfs/dbraw/zinc/55/24/94/569552494.db2.gz BYRQOHMKPDLHOC-UHFFFAOYSA-N 0 0 428.536 4.579 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000009610726 569552563 /nfs/dbraw/zinc/55/25/63/569552563.db2.gz FOYMIGJBDQNDIP-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN O=C(c1ccc(F)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc3c(cc2c1=O)OCCO3 ZINC000009610731 569552566 /nfs/dbraw/zinc/55/25/66/569552566.db2.gz OYAZRGIBJPRPSJ-UHFFFAOYSA-N 0 0 449.865 4.845 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3c(F)cc(F)cc3c2=O)cc1 ZINC000009610785 569552629 /nfs/dbraw/zinc/55/26/29/569552629.db2.gz APMWJWGZYRJTSN-UHFFFAOYSA-N 0 0 435.426 4.576 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000009610761 569552644 /nfs/dbraw/zinc/55/26/44/569552644.db2.gz KPBRAPOPGQVSQL-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1OC ZINC000009610777 569552655 /nfs/dbraw/zinc/55/26/55/569552655.db2.gz SUGSQEOPBGCSLG-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1cccc(Br)c1 ZINC000009611541 569552762 /nfs/dbraw/zinc/55/27/62/569552762.db2.gz XZZPAAWSHNEJBE-UHFFFAOYSA-N 0 0 441.354 4.875 50 0 IJAARN CCOc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)cc1 ZINC000009613567 569553051 /nfs/dbraw/zinc/55/30/51/569553051.db2.gz XWZIZKOHSXZUGC-IBGZPJMESA-N 0 0 440.594 4.966 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[C@@H]1C ZINC000009631012 569553703 /nfs/dbraw/zinc/55/37/03/569553703.db2.gz WMJBORNDKVKQOC-CKEIUWERSA-N 0 0 448.972 4.752 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)c1ccco1 ZINC000009632963 569554148 /nfs/dbraw/zinc/55/41/48/569554148.db2.gz LDSHCBCHYHNGLP-UHFFFAOYSA-N 0 0 447.274 4.943 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-c2ccccc2)c1 ZINC000009633375 569554221 /nfs/dbraw/zinc/55/42/21/569554221.db2.gz GAKSBEKVXAHGCE-UHFFFAOYSA-N 0 0 444.516 4.702 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccc(-n2ccnc2)cc1 ZINC000009640121 569555342 /nfs/dbraw/zinc/55/53/42/569555342.db2.gz LUSCABJXJNSFNQ-CQSZACIVSA-N 0 0 439.928 4.545 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)nn(Cc2ccccc2)c1Cl ZINC000009641745 569555761 /nfs/dbraw/zinc/55/57/61/569555761.db2.gz WBIVOFCUVGXHJP-UHFFFAOYSA-N 0 0 447.970 4.685 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000009644530 569556024 /nfs/dbraw/zinc/55/60/24/569556024.db2.gz AWZXSNPJSXIBNL-IBGZPJMESA-N 0 0 435.578 4.809 50 0 IJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)Nc1cccc(Cl)c1 ZINC000009644574 569556092 /nfs/dbraw/zinc/55/60/92/569556092.db2.gz QKCYURZLOLKZEP-LBPRGKRZSA-N 0 0 437.352 4.820 50 0 IJAARN CC(C)Cc1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc32)c2cccs2)cc1 ZINC000009647461 569556447 /nfs/dbraw/zinc/55/64/47/569556447.db2.gz MLLAVPXTSLNMDV-JOCHJYFZSA-N 0 0 431.561 4.713 50 0 IJAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000009663839 569557282 /nfs/dbraw/zinc/55/72/82/569557282.db2.gz VJHBFQRATILZPV-UHFFFAOYSA-N 0 0 426.925 4.980 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1C ZINC000009663848 569557301 /nfs/dbraw/zinc/55/73/01/569557301.db2.gz WVCHKDYFRAUINP-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009665727 569557566 /nfs/dbraw/zinc/55/75/66/569557566.db2.gz KUVYILATBBFFSN-UHFFFAOYSA-N 0 0 448.850 4.791 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009666830 569557784 /nfs/dbraw/zinc/55/77/84/569557784.db2.gz LNOQLIANSDKQDU-HSZRJFAPSA-N 0 0 426.472 4.520 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccc(-n2ccnc2)cc1 ZINC000009670036 569558252 /nfs/dbraw/zinc/55/82/52/569558252.db2.gz LUSCABJXJNSFNQ-AWEZNQCLSA-N 0 0 439.928 4.545 50 0 IJAARN COc1ccc(OCc2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2F)cc1 ZINC000009670885 569558450 /nfs/dbraw/zinc/55/84/50/569558450.db2.gz SRYLYPABGHPXFO-GOSISDBHSA-N 0 0 429.517 4.655 50 0 IJAARN COc1ccc(N(C)C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009674020 569559017 /nfs/dbraw/zinc/55/90/17/569559017.db2.gz VCKDZNDJMYYVQG-UHFFFAOYSA-N 0 0 429.520 4.894 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)c(OC)c1 ZINC000009690128 569560941 /nfs/dbraw/zinc/56/09/41/569560941.db2.gz PUBRNIOEPMSXNR-HXUWFJFHSA-N 0 0 436.533 4.995 50 0 IJAARN COc1cccc2cc(-c3cc(=O)oc4ccc(OS(=O)(=O)c5ccccc5)cc43)oc21 ZINC000009708075 569561836 /nfs/dbraw/zinc/56/18/36/569561836.db2.gz CZBLQIKEUQXBQR-UHFFFAOYSA-N 0 0 448.452 4.983 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708327 569561899 /nfs/dbraw/zinc/56/18/99/569561899.db2.gz ZBJMAVXYEUVHCC-HXUWFJFHSA-N 0 0 439.968 4.569 50 0 IJAARN C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009712254 569562191 /nfs/dbraw/zinc/56/21/91/569562191.db2.gz VFTJFSKMXBCRPQ-OAHLLOKOSA-N 0 0 437.550 4.695 50 0 IJAARN CCOC(=O)CC1(NC(=O)NCc2cccn2Cc2cc(C)ccc2C)CCCCC1 ZINC000009722976 569563512 /nfs/dbraw/zinc/56/35/12/569563512.db2.gz MIRJGRRZWDHSSZ-UHFFFAOYSA-N 0 0 425.573 4.609 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1 ZINC000009727798 569564066 /nfs/dbraw/zinc/56/40/66/569564066.db2.gz HZXPWJWFUAHICK-UHFFFAOYSA-N 0 0 431.521 4.695 50 0 IJAARN COc1ccc(C(NC(=O)CSc2nc3ccccc3[nH]2)c2ccc(OC)cc2)cc1 ZINC000009731512 569564597 /nfs/dbraw/zinc/56/45/97/569564597.db2.gz SVXKFXDZXFJSPO-UHFFFAOYSA-N 0 0 433.533 4.578 50 0 IJAARN Cc1cccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000009746202 569565712 /nfs/dbraw/zinc/56/57/12/569565712.db2.gz KEBIUTYHBVZLKZ-JOCHJYFZSA-N 0 0 443.613 4.675 50 0 IJAARN CCn1c2ccccc2c(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1-c1ccccc1 ZINC000009748400 569565970 /nfs/dbraw/zinc/56/59/70/569565970.db2.gz KNGZRXODNPHRNA-SANMLTNESA-N 0 0 441.487 4.571 50 0 IJAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000009749304 569565985 /nfs/dbraw/zinc/56/59/85/569565985.db2.gz HYQFVTWQZKGZJG-UHFFFAOYSA-N 0 0 425.485 4.813 50 0 IJAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009752174 569566118 /nfs/dbraw/zinc/56/61/18/569566118.db2.gz PFUCLLHLQBLPQX-UHFFFAOYSA-N 0 0 447.438 4.912 50 0 IJAARN O=S(=O)(c1ccc(-c2nnc(SCCc3ccccc3)o2)cc1)N1CCCCCC1 ZINC000009764109 569566702 /nfs/dbraw/zinc/56/67/02/569566702.db2.gz VAXXHWPDAWTGSO-UHFFFAOYSA-N 0 0 443.594 4.636 50 0 IJAARN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3csc(-c4ccc(C)cc4)n3)C2=O)cc1 ZINC000009766345 569566814 /nfs/dbraw/zinc/56/68/14/569566814.db2.gz XTJDMKUINNPVKU-DEOSSOPVSA-N 0 0 435.549 4.570 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N(C)c3ccc(F)cc3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009777057 569567093 /nfs/dbraw/zinc/56/70/93/569567093.db2.gz AMMDPHNPRZCHST-UHFFFAOYSA-N 0 0 440.478 4.602 50 0 IJAARN Clc1cccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCCC2)c1 ZINC000009780350 569567462 /nfs/dbraw/zinc/56/74/62/569567462.db2.gz GXKCIKSQAUIMPT-UHFFFAOYSA-N 0 0 444.973 4.925 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009780526 569567497 /nfs/dbraw/zinc/56/74/97/569567497.db2.gz ZSVOXHGYAXKLNC-OAHLLOKOSA-N 0 0 429.549 4.831 50 0 IJAARN Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cs1 ZINC000009782357 569567682 /nfs/dbraw/zinc/56/76/82/569567682.db2.gz NJUBHPSNIOMESL-OAQYLSRUSA-N 0 0 436.533 4.779 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1Cl ZINC000009784728 569567893 /nfs/dbraw/zinc/56/78/93/569567893.db2.gz IODGXOSKIIKYHW-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c(C)n1C[C@H]1CCCO1 ZINC000009793157 569568356 /nfs/dbraw/zinc/56/83/56/569568356.db2.gz WERCXWOYHWMBFE-MRXNPFEDSA-N 0 0 436.537 4.790 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000009799169 569568560 /nfs/dbraw/zinc/56/85/60/569568560.db2.gz RELBAOYBKQCPJO-UHFFFAOYSA-N 0 0 442.567 4.964 50 0 IJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)cc1 ZINC000009799890 569568625 /nfs/dbraw/zinc/56/86/25/569568625.db2.gz HRVASSVAYSMDAO-MRXNPFEDSA-N 0 0 449.532 4.967 50 0 IJAARN COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cs2)cc1 ZINC000009805911 569568817 /nfs/dbraw/zinc/56/88/17/569568817.db2.gz FITPQNHCBSUASA-UHFFFAOYSA-N 0 0 447.310 4.698 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)onc3-c3ccccc3)n2)s1 ZINC000009819445 569569313 /nfs/dbraw/zinc/56/93/13/569569313.db2.gz HQIYBAJJBONNMQ-UHFFFAOYSA-N 0 0 438.534 4.723 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1C[C@@H]1CCCO1 ZINC000009819774 569569387 /nfs/dbraw/zinc/56/93/87/569569387.db2.gz KJLMGUFKRMKOGW-KRWDZBQOSA-N 0 0 442.610 4.914 50 0 IJAARN CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc21 ZINC000009832460 569570263 /nfs/dbraw/zinc/57/02/63/569570263.db2.gz XWWHIGOTONJNQG-UHFFFAOYSA-N 0 0 443.594 4.532 50 0 IJAARN COc1ccc(C(=O)O[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1OC ZINC000009835296 569570644 /nfs/dbraw/zinc/57/06/44/569570644.db2.gz CWKCEOWLYBJUAV-HSZRJFAPSA-N 0 0 437.879 4.869 50 0 IJAARN CSc1ccc(CCNC(=O)[C@H](C)N2c3ccccc3SC(C)(C)CC2=O)cc1 ZINC000009847634 569571192 /nfs/dbraw/zinc/57/11/92/569571192.db2.gz UBDZDQFFRAOZPI-INIZCTEOSA-N 0 0 428.623 4.763 50 0 IJAARN O=c1[nH]c2ccccc2n1CCCSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3 ZINC000009849112 569571338 /nfs/dbraw/zinc/57/13/38/569571338.db2.gz KBBHDKTUFVCVPJ-UHFFFAOYSA-N 0 0 447.438 4.808 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000009849821 569571404 /nfs/dbraw/zinc/57/14/04/569571404.db2.gz MLKFPIFWCJWJNO-UHFFFAOYSA-N 0 0 443.550 4.552 50 0 IJAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000009855605 569571516 /nfs/dbraw/zinc/57/15/16/569571516.db2.gz KWEZGXADACQKJT-UHFFFAOYSA-N 0 0 428.463 4.573 50 0 IJAARN CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(CC)cc3)c(=O)c3ccccc32)cc1 ZINC000009855616 569571545 /nfs/dbraw/zinc/57/15/45/569571545.db2.gz LLTUBAVUHSOWKQ-UHFFFAOYSA-N 0 0 438.527 4.996 50 0 IJAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1 ZINC000009855886 569571580 /nfs/dbraw/zinc/57/15/80/569571580.db2.gz AYSUZUADXMWLNF-UHFFFAOYSA-N 0 0 428.463 4.573 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccc(C)cc1 ZINC000009858951 569571796 /nfs/dbraw/zinc/57/17/96/569571796.db2.gz PPIYRYYELWRRJN-UHFFFAOYSA-N 0 0 447.556 4.898 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009864814 569572101 /nfs/dbraw/zinc/57/21/01/569572101.db2.gz IGFZPMWWTVHIAR-KRWDZBQOSA-N 0 0 444.564 4.675 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000009872192 569572413 /nfs/dbraw/zinc/57/24/13/569572413.db2.gz OBVQFIOFGCVZGC-FQEVSTJZSA-N 0 0 436.533 4.995 50 0 IJAARN CCc1cccc2c(C(=O)CSc3nnc(CN4CCCC4)n3-c3ccccc3)c[nH]c21 ZINC000009873230 569572491 /nfs/dbraw/zinc/57/24/91/569572491.db2.gz PUBNUMFLBRFGCN-UHFFFAOYSA-N 0 0 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569580785 /nfs/dbraw/zinc/58/07/85/569580785.db2.gz PXQAXKJYDOSFLP-UHFFFAOYSA-N 0 0 444.484 4.806 50 0 IJAARN CSc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010327605 569580994 /nfs/dbraw/zinc/58/09/94/569580994.db2.gz FHYJIZDNLLRTMM-UHFFFAOYSA-N 0 0 438.574 4.721 50 0 IJAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)c1 ZINC000010337128 569581213 /nfs/dbraw/zinc/58/12/13/569581213.db2.gz JJBOCXGMUDQVLG-SFTDATJTSA-N 0 0 449.301 4.935 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)cc1C ZINC000010410361 569581912 /nfs/dbraw/zinc/58/19/12/569581912.db2.gz DDBFDLHZUMHGTE-GOSISDBHSA-N 0 0 435.593 4.932 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1C ZINC000010426203 569582016 /nfs/dbraw/zinc/58/20/16/569582016.db2.gz LYDCRBQKAQGPOU-UHFFFAOYSA-N 0 0 431.517 4.905 50 0 IJAARN CC[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(Cl)cc1 ZINC000010423679 569582030 /nfs/dbraw/zinc/58/20/30/569582030.db2.gz HGCQGQAQDZKPNK-QGZVFWFLSA-N 0 0 429.973 4.648 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3c(CC)cccc3CC)cc2)CC1=O ZINC000010462254 569582437 /nfs/dbraw/zinc/58/24/37/569582437.db2.gz FPHQQIQBUNZRSU-NRFANRHFSA-N 0 0 435.568 4.651 50 0 IJAARN CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)n(C(=O)c3ccco3)n2)cc1 ZINC000575442781 569584549 /nfs/dbraw/zinc/58/45/49/569584549.db2.gz ACJWVEWGWVEULA-UHFFFAOYSA-N 0 0 432.480 5.449 50 0 IJAARN COc1ccc(Nc2cc(Nc3ccc(OC)cc3)n(C(=O)c3cccc(OC)c3)n2)cc1 ZINC000575442823 569584585 /nfs/dbraw/zinc/58/45/85/569584585.db2.gz DDQGKOJTESOQNM-UHFFFAOYSA-N 0 0 444.491 5.085 50 0 IJAARN COc1cc(COCC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(OC)c1 ZINC000077099659 569585235 /nfs/dbraw/zinc/58/52/35/569585235.db2.gz CFXJQOKQWASAPL-UHFFFAOYSA-N 0 0 427.585 4.675 50 0 IJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099931 569585300 /nfs/dbraw/zinc/58/53/00/569585300.db2.gz SRKZOAVPHUFOCH-UHFFFAOYSA-N 0 0 433.581 4.523 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3cccc4nccnc43)C2)c1 ZINC000077160622 569585777 /nfs/dbraw/zinc/58/57/77/569585777.db2.gz UWDQDJLJFFHVPX-HSZRJFAPSA-N 0 0 426.451 4.769 50 0 IJAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177404 569585825 /nfs/dbraw/zinc/58/58/25/569585825.db2.gz MGXZNWHLJVOSMG-LJQANCHMSA-N 0 0 447.539 4.609 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccccc5F)s4)C3)[nH]c2c1 ZINC000077197913 569586197 /nfs/dbraw/zinc/58/61/97/569586197.db2.gz YSLXAUKOZOZYPQ-HNNXBMFYSA-N 0 0 436.512 4.854 50 0 IJAARN COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000077200044 569586331 /nfs/dbraw/zinc/58/63/31/569586331.db2.gz XFUBVKVXYFFSBB-INIZCTEOSA-N 0 0 430.785 4.802 50 0 IJAARN COc1ccc(N2CC(=O)C(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)=C2N)cc1 ZINC000034769847 569587610 /nfs/dbraw/zinc/58/76/10/569587610.db2.gz IUJUVAPYMWEJFA-UHFFFAOYSA-N 0 0 431.439 4.554 50 0 IJAARN COc1ccccc1-c1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)n[nH]1 ZINC000195632744 569588168 /nfs/dbraw/zinc/58/81/68/569588168.db2.gz ZVJKGJFRRMAROR-UHFFFAOYSA-N 0 0 426.448 4.663 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)c1 ZINC000000635875 193865791 /nfs/dbraw/zinc/86/57/91/193865791.db2.gz XDEVMUFJFXTOJO-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)CCCCC2 ZINC000000649415 193871540 /nfs/dbraw/zinc/87/15/40/193871540.db2.gz OXIAKLAIGOIMLK-UHFFFAOYSA-N 0 0 447.944 4.937 50 0 IJAARN Cc1ccc(C)c(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000654178 193874075 /nfs/dbraw/zinc/87/40/75/193874075.db2.gz ZPVZHOSHJXSSLO-QHCPKHFHSA-N 0 0 445.416 4.939 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4)sc3n2)cc1OC ZINC000000661375 193876247 /nfs/dbraw/zinc/87/62/47/193876247.db2.gz QMXYMZYXUASCHL-UHFFFAOYSA-N 0 0 433.533 4.535 50 0 IJAARN Cc1nnc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1Cc1ccccc1 ZINC000009836647 193902438 /nfs/dbraw/zinc/90/24/38/193902438.db2.gz GIENWKLLVLEPKR-OAHLLOKOSA-N 0 0 437.594 4.556 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009139982 132227087 /nfs/dbraw/zinc/22/70/87/132227087.db2.gz KYWBHOQDWKBKLU-QFIPXVFZSA-N 0 0 442.544 4.835 50 0 IJAARN c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(N3CCCCCC3)n2)cc1 ZINC000000625940 132227956 /nfs/dbraw/zinc/22/79/56/132227956.db2.gz VWFMXOAOEWZQCH-UHFFFAOYSA-N 0 0 430.556 4.558 50 0 IJAARN Cc1cc(Br)cc(Br)c1OCC(=O)N1CCCc2ccccc21 ZINC000000674409 132228961 /nfs/dbraw/zinc/22/89/61/132228961.db2.gz MJKQIKQMRCEZEH-UHFFFAOYSA-N 0 0 439.147 4.878 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009738756 132240313 /nfs/dbraw/zinc/24/03/13/132240313.db2.gz MOZRYANJWLXVRB-UHFFFAOYSA-N 0 0 446.981 4.724 50 0 IJAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 ZINC000001264670 132241186 /nfs/dbraw/zinc/24/11/86/132241186.db2.gz SRZCCUYFJZQLGE-UHFFFAOYSA-N 0 0 425.916 4.643 50 0 IJAARN Cc1sc2nc(C3CC3)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c2c1C ZINC000001377183 132244298 /nfs/dbraw/zinc/24/42/98/132244298.db2.gz NXIWHUUNBIWDAK-UHFFFAOYSA-N 0 0 426.973 4.801 50 0 IJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)c4cccs4)CC2)n1)CC[C@@H](C)C3 ZINC000001377103 132244305 /nfs/dbraw/zinc/24/43/05/132244305.db2.gz NVPPEHFLRSCGOO-OAHLLOKOSA-N 0 0 440.638 4.963 50 0 IJAARN Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)c3cccs3)c2)c2ccccc2c1=O ZINC000002236440 132249744 /nfs/dbraw/zinc/24/97/44/132249744.db2.gz JIADTXPRAQGVRZ-UHFFFAOYSA-N 0 0 444.560 4.905 50 0 IJAARN Clc1ccc(N2CCN(c3ncnc4c5cc(Br)ccc5[nH]c43)CC2)cc1 ZINC000002325473 132252291 /nfs/dbraw/zinc/25/22/91/132252291.db2.gz FOEVMHVRGXWRQF-UHFFFAOYSA-N 0 0 442.748 4.854 50 0 IJAARN O=C(Nc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002532771 132254867 /nfs/dbraw/zinc/25/48/67/132254867.db2.gz MECRXCRYVIQUFC-UHFFFAOYSA-N 0 0 444.251 4.949 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000002633060 132255583 /nfs/dbraw/zinc/25/55/83/132255583.db2.gz WLJHAJOUZFBGAG-CCEZHUSRSA-N 0 0 449.558 4.605 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000002879743 132258053 /nfs/dbraw/zinc/25/80/53/132258053.db2.gz TWKYNDSWDTVUFZ-UHFFFAOYSA-N 0 0 440.758 4.958 50 0 IJAARN Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931584 132259224 /nfs/dbraw/zinc/25/92/24/132259224.db2.gz JEWZQPPTVMTBCS-UHFFFAOYSA-N 0 0 432.524 4.632 50 0 IJAARN O=C1CC2(CCCCC2)CC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003265403 132262968 /nfs/dbraw/zinc/26/29/68/132262968.db2.gz XONRCSCDFJVHAQ-UHFFFAOYSA-N 0 0 446.956 4.745 50 0 IJAARN O=C(COc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000004120042 132270048 /nfs/dbraw/zinc/27/00/48/132270048.db2.gz IZZJRHIPOKQFHJ-UHFFFAOYSA-N 0 0 437.487 4.588 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1 ZINC000004121902 132270483 /nfs/dbraw/zinc/27/04/83/132270483.db2.gz GVMSMENHGQXXSN-UHFFFAOYSA-N 0 0 439.968 4.925 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782576 132278843 /nfs/dbraw/zinc/27/88/43/132278843.db2.gz DLMQYVXVVUZTET-FQEVSTJZSA-N 0 0 426.564 4.841 50 0 IJAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(c3ccc(C)cc3)[C@@H](C)C2)n1 ZINC000006786071 132278959 /nfs/dbraw/zinc/27/89/59/132278959.db2.gz PTRIEZUNNAQTSD-NRFANRHFSA-N 0 0 426.568 4.764 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C2CCCC2)c1C ZINC000007178875 132280225 /nfs/dbraw/zinc/28/02/25/132280225.db2.gz LHXQPUUJMCPNKJ-INIZCTEOSA-N 0 0 426.586 4.860 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000008133155 132280928 /nfs/dbraw/zinc/28/09/28/132280928.db2.gz HKKRXFZASFYDGD-AREMUKBSSA-N 0 0 429.564 4.643 50 0 IJAARN CCOc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000008594598 132284642 /nfs/dbraw/zinc/28/46/42/132284642.db2.gz YAIQJVKFPIHHQA-UHFFFAOYSA-N 0 0 448.548 4.555 50 0 IJAARN Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)n1-c1ccc(N2CCC(C)CC2)cc1 ZINC000008670876 132289905 /nfs/dbraw/zinc/28/99/05/132289905.db2.gz HQLHAQQVVQQMFJ-UHFFFAOYSA-N 0 0 433.943 4.770 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 ZINC000009096377 132302809 /nfs/dbraw/zinc/30/28/09/132302809.db2.gz YIFARUWBJIRZEF-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000009139398 132306626 /nfs/dbraw/zinc/30/66/26/132306626.db2.gz WCUPWLHPXSFLLO-UHFFFAOYSA-N 0 0 440.874 4.505 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)cc1 ZINC000009153008 132307035 /nfs/dbraw/zinc/30/70/35/132307035.db2.gz ZARYPFKXNGAJQS-IBGZPJMESA-N 0 0 432.572 4.531 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009190264 132307981 /nfs/dbraw/zinc/30/79/81/132307981.db2.gz NCIQVCFSIKKDCV-LBPRGKRZSA-N 0 0 429.731 4.889 50 0 IJAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000009193105 132308236 /nfs/dbraw/zinc/30/82/36/132308236.db2.gz PHIPCQWLNYIXEY-MRXNPFEDSA-N 0 0 438.503 4.535 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCC1 ZINC000009220391 132309422 /nfs/dbraw/zinc/30/94/22/132309422.db2.gz USDDPSJTBVFNRJ-UHFFFAOYSA-N 0 0 447.988 4.870 50 0 IJAARN CCN1C[C@@H](CN(C)C(=O)c2cc(-c3cccnc3)nc3ccccc32)Oc2ccccc21 ZINC000009221408 132309459 /nfs/dbraw/zinc/30/94/59/132309459.db2.gz SAJWFCQNUKBZMX-HXUWFJFHSA-N 0 0 438.531 4.656 50 0 IJAARN Nc1cccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000009246655 132310595 /nfs/dbraw/zinc/31/05/95/132310595.db2.gz ZLBIVCHACZAQGE-UHFFFAOYSA-N 0 0 439.523 4.504 50 0 IJAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009377500 132314659 /nfs/dbraw/zinc/31/46/59/132314659.db2.gz JVCJIARPKIQWDS-UHFFFAOYSA-N 0 0 446.938 4.529 50 0 IJAARN Cc1ccccc1NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000009405830 132315009 /nfs/dbraw/zinc/31/50/09/132315009.db2.gz ZVVKHMDWGBJNFF-INIZCTEOSA-N 0 0 427.932 4.706 50 0 IJAARN O=C([C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCCC1 ZINC000009483011 132319097 /nfs/dbraw/zinc/31/90/97/132319097.db2.gz ZFQWSGIZCOQMGF-SFHVURJKSA-N 0 0 435.955 4.687 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CC2)cc1 ZINC000009504418 132319646 /nfs/dbraw/zinc/31/96/46/132319646.db2.gz RXNOPLKCDWDESO-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000009509868 132319902 /nfs/dbraw/zinc/31/99/02/132319902.db2.gz RJIUJCNQKFTDIB-CMDGGOBGSA-N 0 0 430.932 4.626 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCCC[C@@H]3C)cc12 ZINC000009598017 132322807 /nfs/dbraw/zinc/32/28/07/132322807.db2.gz UQZOKIGNWDROPO-FQEVSTJZSA-N 0 0 436.600 4.899 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCCCOC(C)C)C2=O)cc1 ZINC000009692911 132326216 /nfs/dbraw/zinc/32/62/16/132326216.db2.gz KWAGIYKUSPTOJK-AUSIDOKSSA-N 0 0 440.609 4.570 50 0 IJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCc3ccco3)C2=O)c1 ZINC000009692944 132326222 /nfs/dbraw/zinc/32/62/22/132326222.db2.gz GAVYWFLWQYIGDV-JPYJTQIMSA-N 0 0 434.561 4.856 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009693964 132326417 /nfs/dbraw/zinc/32/64/17/132326417.db2.gz CNKHPBXEXAGZJQ-UHFFFAOYSA-N 0 0 439.556 4.680 50 0 IJAARN Cc1cc(C)cc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708874 132326997 /nfs/dbraw/zinc/32/69/97/132326997.db2.gz AINLQMYUCLAXPC-UHFFFAOYSA-N 0 0 428.899 4.605 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009789240 132329079 /nfs/dbraw/zinc/32/90/79/132329079.db2.gz DVTZASDYVIUFSN-INIZCTEOSA-N 0 0 440.528 4.763 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009867283 132330513 /nfs/dbraw/zinc/33/05/13/132330513.db2.gz CKGDTFQRBSHOAB-OAQYLSRUSA-N 0 0 446.507 4.665 50 0 IJAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000010272497 132335316 /nfs/dbraw/zinc/33/53/16/132335316.db2.gz LQIJXDIYOQGCIL-UHFFFAOYSA-N 0 0 430.888 4.810 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000011119068 132337337 /nfs/dbraw/zinc/33/73/37/132337337.db2.gz UWHIQGYWMBETKB-UHFFFAOYSA-N 0 0 444.915 4.856 50 0 IJAARN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000011613881 132338297 /nfs/dbraw/zinc/33/82/97/132338297.db2.gz UYUROKZRRVAHEO-UHFFFAOYSA-N 0 0 437.005 4.565 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1OC ZINC000013071498 132343993 /nfs/dbraw/zinc/34/39/93/132343993.db2.gz RWNZFQNKMDXYEO-UHFFFAOYSA-N 0 0 444.475 4.514 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000013116979 132344935 /nfs/dbraw/zinc/34/49/35/132344935.db2.gz XJYRHDUOUGBBLI-FQEVSTJZSA-N 0 0 429.501 4.996 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583535 132351042 /nfs/dbraw/zinc/35/10/42/132351042.db2.gz VYPSCIKYBZDUJF-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN COC(=O)C1=NN(c2ccccc2)[C@]2(C=CC(c3ccccc3)=NN2c2ccccc2)S1 ZINC000013659392 132352488 /nfs/dbraw/zinc/35/24/88/132352488.db2.gz VCGBRSLSRLFBJT-RUZDIDTESA-N 0 0 440.528 4.861 50 0 IJAARN CC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000012383364 518207173 /nfs/dbraw/zinc/20/71/73/518207173.db2.gz CMORVICBSKYKGU-RWRYZHGASA-N 0 0 435.701 4.829 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC(CCc2ccc(OCC)cc2)CC1 ZINC000021470226 518669721 /nfs/dbraw/zinc/66/97/21/518669721.db2.gz LWKDLKNOGFZZAM-HXUWFJFHSA-N 0 0 432.564 4.772 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c(=O)c23)C1 ZINC000021352447 518979377 /nfs/dbraw/zinc/97/93/77/518979377.db2.gz MCGHOMHXIRSZCF-ZDUSSCGKSA-N 0 0 427.545 4.846 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CCc5ccccc5C4)[nH]c(=O)c32)C1 ZINC000021882611 518979959 /nfs/dbraw/zinc/97/99/59/518979959.db2.gz KASOHZISGGVRRF-SFHVURJKSA-N 0 0 449.620 4.653 50 0 IJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2[nH]nc3c2CCCC3)cc1 ZINC000012447365 519010947 /nfs/dbraw/zinc/01/09/47/519010947.db2.gz MLNQDIQUUVYKGD-JOCHJYFZSA-N 0 0 445.611 4.898 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Br)o3)ns2)cc1 ZINC000015859951 519040311 /nfs/dbraw/zinc/04/03/11/519040311.db2.gz CFIKDQBMRNFGNN-UHFFFAOYSA-N 0 0 436.331 4.876 50 0 IJAARN CC(C)N(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C1CCCC1 ZINC000012790260 519581667 /nfs/dbraw/zinc/58/16/67/519581667.db2.gz NZLSAVHVPHCIDE-UHFFFAOYSA-N 0 0 434.989 4.958 50 0 IJAARN CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000035724170 519597724 /nfs/dbraw/zinc/59/77/24/519597724.db2.gz AUPKXVLVFQAVBA-SFHVURJKSA-N 0 0 442.972 4.571 50 0 IJAARN CC(C)CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000012747222 519603903 /nfs/dbraw/zinc/60/39/03/519603903.db2.gz XZUVEQSILZHHEG-UHFFFAOYSA-N 0 0 443.352 4.634 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1C[C@H](C)c1ccccc1 ZINC000021864746 519659827 /nfs/dbraw/zinc/65/98/27/519659827.db2.gz IMERFTDGWHLHBW-CCLHPLFOSA-N 0 0 447.579 4.929 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1F ZINC000021911622 519659918 /nfs/dbraw/zinc/65/99/18/519659918.db2.gz PPPHOISGDWQFKT-QFIPXVFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000021858391 519661395 /nfs/dbraw/zinc/66/13/95/519661395.db2.gz JFIRYLUWRBOTRG-VWLOTQADSA-N 0 0 437.971 4.872 50 0 IJAARN CC(C)CCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccsc21 ZINC000020516382 519663771 /nfs/dbraw/zinc/66/37/71/519663771.db2.gz CLLMJVSJTJGWKG-UHFFFAOYSA-N 0 0 443.598 4.753 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000021197946 519732122 /nfs/dbraw/zinc/73/21/22/519732122.db2.gz YRFGZMOXLWNPGH-KRWDZBQOSA-N 0 0 441.578 4.559 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)CCc2ccc3nc(NC(=O)C(C)C)sc3c2)cc1 ZINC000021353348 519779256 /nfs/dbraw/zinc/77/92/56/519779256.db2.gz IPZSPCVEUYBFEF-UHFFFAOYSA-N 0 0 439.581 4.927 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@@](=O)c3ccccc3Cl)o2)cc1 ZINC000020514736 519779565 /nfs/dbraw/zinc/77/95/65/519779565.db2.gz CRIGFWVOZRRWTC-LJAQVGFWSA-N 0 0 431.941 4.958 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000036764674 519819946 /nfs/dbraw/zinc/81/99/46/519819946.db2.gz TYRNYCWGVWJNGH-DEOSSOPVSA-N 0 0 436.502 4.668 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C2=O ZINC000021852190 519833683 /nfs/dbraw/zinc/83/36/83/519833683.db2.gz VKSKYCCAJJLCTH-DEOSSOPVSA-N 0 0 442.991 4.524 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)C2=O ZINC000021852214 519833685 /nfs/dbraw/zinc/83/36/85/519833685.db2.gz RYFZQSNVDFJNHM-HSZRJFAPSA-N 0 0 428.964 4.528 50 0 IJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)cc1 ZINC000020642553 519837087 /nfs/dbraw/zinc/83/70/87/519837087.db2.gz QXOVAKASCIPNBT-NRFANRHFSA-N 0 0 434.565 4.796 50 0 IJAARN CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000035239848 519839644 /nfs/dbraw/zinc/83/96/44/519839644.db2.gz GUXHSSDEXOEKQB-UWVAXJGDSA-N 0 0 440.849 4.567 50 0 IJAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1ccc(OC)cc1 ZINC000032997255 519870683 /nfs/dbraw/zinc/87/06/83/519870683.db2.gz BNQWTNVYUTWHRY-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(OC)c(OC)c3)cc2s1 ZINC000015861814 519880724 /nfs/dbraw/zinc/88/07/24/519880724.db2.gz LPGCPJBWDOMZJI-UHFFFAOYSA-N 0 0 427.526 4.623 50 0 IJAARN CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1 ZINC000001068255 519881148 /nfs/dbraw/zinc/88/11/48/519881148.db2.gz SNEUCIJXPGWCJU-UHFFFAOYSA-N 0 0 433.321 4.533 50 0 IJAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035978867 519883238 /nfs/dbraw/zinc/88/32/38/519883238.db2.gz WGOKULIVCCITNH-JOCHJYFZSA-N 0 0 448.567 4.980 50 0 IJAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035978865 519883240 /nfs/dbraw/zinc/88/32/40/519883240.db2.gz WGOKULIVCCITNH-QFIPXVFZSA-N 0 0 448.567 4.980 50 0 IJAARN CCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000035767286 519950959 /nfs/dbraw/zinc/95/09/59/519950959.db2.gz YSYAZRQHYXJXLT-DEOSSOPVSA-N 0 0 440.584 4.786 50 0 IJAARN CCCCCN1CC(=O)N2C[C@@H](c3ccc(CC)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873580 520180568 /nfs/dbraw/zinc/18/05/68/520180568.db2.gz FXQZJMIAWYHQRM-DWACAAAGSA-N 0 0 443.591 4.952 50 0 biogenic IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000012766260 520354452 /nfs/dbraw/zinc/35/44/52/520354452.db2.gz RGKRHJFEHIFVQM-UHFFFAOYSA-N 0 0 433.986 4.863 50 0 IJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000012140031 520431218 /nfs/dbraw/zinc/43/12/18/520431218.db2.gz YFWNXZIKARNISQ-UHFFFAOYSA-N 0 0 437.974 4.623 50 0 IJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2ccc(COC)s2)CC1 ZINC000012191956 520463573 /nfs/dbraw/zinc/46/35/73/520463573.db2.gz AOWJSCLFTSDQNT-UHFFFAOYSA-N 0 0 435.973 4.576 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC ZINC000035848239 520495489 /nfs/dbraw/zinc/49/54/89/520495489.db2.gz QBUBGGDKUZKXFM-UHFFFAOYSA-N 0 0 430.961 4.557 50 0 IJAARN CCOC(=O)C1CCC(CNC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)CC1 ZINC000021711599 520547685 /nfs/dbraw/zinc/54/76/85/520547685.db2.gz BONHQRQUHWQEMZ-UHFFFAOYSA-N 0 0 448.523 4.895 50 0 IJAARN CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000021005921 520562365 /nfs/dbraw/zinc/56/23/65/520562365.db2.gz LGWPNKLLLOBKAL-GOSISDBHSA-N 0 0 430.430 4.772 50 0 IJAARN CCCSCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021808371 520564122 /nfs/dbraw/zinc/56/41/22/520564122.db2.gz ZTECFSOCNNPYCH-HSZRJFAPSA-N 0 0 447.670 4.900 50 0 IJAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000012747517 520574112 /nfs/dbraw/zinc/57/41/12/520574112.db2.gz XNHVJXTVUDWHHK-IBGZPJMESA-N 0 0 431.467 4.561 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2sc(-c3c(Cl)cccc3Cl)nc2C)CC1 ZINC000012391385 520574453 /nfs/dbraw/zinc/57/44/53/520574453.db2.gz GBQFNZXJYUGRGQ-UHFFFAOYSA-N 0 0 427.353 4.841 50 0 IJAARN CCOC(=O)CCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000035910482 520623880 /nfs/dbraw/zinc/62/38/80/520623880.db2.gz WFLYFASVBDQOFZ-DEOSSOPVSA-N 0 0 440.565 4.870 50 0 IJAARN CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)ccc1OC ZINC000012481651 520657237 /nfs/dbraw/zinc/65/72/37/520657237.db2.gz RBKOKYANVPLJIO-UHFFFAOYSA-N 0 0 425.312 4.502 50 0 IJAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042209 520678003 /nfs/dbraw/zinc/67/80/03/520678003.db2.gz QRHWPBQKJHGUEX-RTWAWAEBSA-N 0 0 432.486 4.786 50 0 IJAARN CCOc1cc(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)ccc1OC ZINC000012213724 520699750 /nfs/dbraw/zinc/69/97/50/520699750.db2.gz XKMHFLOPWZKRRS-XMMPIXPASA-N 0 0 433.548 4.765 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000012898962 520783510 /nfs/dbraw/zinc/78/35/10/520783510.db2.gz KBCRSWJCLUSTKL-UHFFFAOYSA-N 0 0 449.623 4.771 50 0 IJAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OC(C)C ZINC000001142487 520784681 /nfs/dbraw/zinc/78/46/81/520784681.db2.gz OMNMYIDRMIHWSK-JOCHJYFZSA-N 0 0 439.581 4.612 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)c3cccc(Cl)c3)c2)NC(=O)N1C ZINC000035707631 520817049 /nfs/dbraw/zinc/81/70/49/520817049.db2.gz XTKFUIHPRHIJGZ-FQEVSTJZSA-N 0 0 441.915 4.514 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(Cl)ccc3C)N2C1=O ZINC000021643751 520893458 /nfs/dbraw/zinc/89/34/58/520893458.db2.gz GAYVKCKCDVKSLV-KRWDZBQOSA-N 0 0 440.956 4.779 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016750415 520908579 /nfs/dbraw/zinc/90/85/79/520908579.db2.gz QTYFTDVTORTBDS-WMZHIEFXSA-N 0 0 433.504 4.696 50 0 IJAARN CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2OC)cc1OCC ZINC000012771471 520923623 /nfs/dbraw/zinc/92/36/23/520923623.db2.gz XUPLXMBIODQFGN-UHFFFAOYSA-N 0 0 433.504 4.654 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)c2sc(-c3c(Cl)cccc3Cl)nc2C)CC1 ZINC000012322373 520928391 /nfs/dbraw/zinc/92/83/91/520928391.db2.gz VADCONHYYUGMOP-UHFFFAOYSA-N 0 0 442.368 4.776 50 0 IJAARN C=C1C(NCCCN(CC)c2cccc(C)c2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020465798 521022115 /nfs/dbraw/zinc/02/21/15/521022115.db2.gz VBAVQFXKRKNUKM-UHFFFAOYSA-N 0 0 431.989 4.628 50 0 IJAARN CC1CCN(c2ccc(-c3noc(CN4C(=O)COc5ccc(Cl)cc54)n3)cc2)CC1 ZINC000035399610 521039294 /nfs/dbraw/zinc/03/92/94/521039294.db2.gz RPUADOWTCAWICZ-UHFFFAOYSA-N 0 0 438.915 4.552 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526487 521041439 /nfs/dbraw/zinc/04/14/39/521041439.db2.gz FWNZGZOICVZWMP-AREMUKBSSA-N 0 0 449.551 4.891 50 0 IJAARN CCOc1ccc(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000035447783 521084427 /nfs/dbraw/zinc/08/44/27/521084427.db2.gz TUXWSDNGRDVVQT-UHFFFAOYSA-N 0 0 429.524 4.630 50 0 IJAARN CCC(=O)N(CC)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1 ZINC000036055549 521086582 /nfs/dbraw/zinc/08/65/82/521086582.db2.gz BMWFGONQUKCORO-UHFFFAOYSA-N 0 0 444.457 4.755 50 0 IJAARN CCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000035944893 521089488 /nfs/dbraw/zinc/08/94/88/521089488.db2.gz QOFFJIGPXIJEGN-IBGZPJMESA-N 0 0 443.975 4.576 50 0 IJAARN CCOc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000035506147 521098449 /nfs/dbraw/zinc/09/84/49/521098449.db2.gz UMKXQONXRCZYQJ-UHFFFAOYSA-N 0 0 432.480 4.712 50 0 IJAARN CCOc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000020939181 521117133 /nfs/dbraw/zinc/11/71/33/521117133.db2.gz MRKTZUMSQNQSNJ-UHFFFAOYSA-N 0 0 434.521 4.877 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)[C@H](C)c3ccccc3)cc2)cc1 ZINC000012687259 521117834 /nfs/dbraw/zinc/11/78/34/521117834.db2.gz LFGKMSYHEGZBCU-LJQANCHMSA-N 0 0 431.536 4.969 50 0 IJAARN CCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000036628478 521124572 /nfs/dbraw/zinc/12/45/72/521124572.db2.gz YUBIAEZLIQQTQA-UHFFFAOYSA-N 0 0 445.954 4.800 50 0 IJAARN CCCC[C@H](C(=O)OCC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018046207 521126220 /nfs/dbraw/zinc/12/62/20/521126220.db2.gz WGRSPVHLKPWJFB-HJGXUNPXSA-N 0 0 445.559 4.637 50 0 IJAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)c1 ZINC000035729703 521163266 /nfs/dbraw/zinc/16/32/66/521163266.db2.gz LNTOKZYNPNNIHO-JXFKEZNVSA-N 0 0 431.602 4.540 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cnc(NC(=O)C(C)C)c3)cc2)c1 ZINC000033140792 521168425 /nfs/dbraw/zinc/16/84/25/521168425.db2.gz COKLBWVFKJOGCK-UHFFFAOYSA-N 0 0 436.512 4.517 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530591 521226154 /nfs/dbraw/zinc/22/61/54/521226154.db2.gz OFALYURSCFLXRE-OAQYLSRUSA-N 0 0 445.519 4.523 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000021643730 521252745 /nfs/dbraw/zinc/25/27/45/521252745.db2.gz VFXIPWXRKLLWEE-HXUWFJFHSA-N 0 0 434.565 4.941 50 0 IJAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O ZINC000022240409 521255295 /nfs/dbraw/zinc/25/52/95/521255295.db2.gz DUSPPCSWQPNJGH-HSZRJFAPSA-N 0 0 425.435 4.757 50 0 IJAARN CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccccc3C(=O)OC)sc2c1 ZINC000022807942 521298485 /nfs/dbraw/zinc/29/84/85/521298485.db2.gz CJRRRVIFHZTSQJ-UHFFFAOYSA-N 0 0 447.516 4.724 50 0 IJAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000012621241 521324601 /nfs/dbraw/zinc/32/46/01/521324601.db2.gz KTBQRWWANPXTFW-AREMUKBSSA-N 0 0 443.503 4.665 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000018155160 521329316 /nfs/dbraw/zinc/32/93/16/521329316.db2.gz GPLFRMBORGYEEP-UHFFFAOYSA-N 0 0 425.506 4.727 50 0 IJAARN CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026870 521334049 /nfs/dbraw/zinc/33/40/49/521334049.db2.gz ATTIDIFPOAULAI-UHFFFAOYSA-N 0 0 427.464 4.551 50 0 IJAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2ccc(COC)s2)C1 ZINC000012052321 521354416 /nfs/dbraw/zinc/35/44/16/521354416.db2.gz MLKLFHXVGGRAKX-XMMPIXPASA-N 0 0 429.582 4.703 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012377625 521370289 /nfs/dbraw/zinc/37/02/89/521370289.db2.gz DRTBBSPCPCHOIM-CALCHBBNSA-N 0 0 444.597 4.763 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000021539919 521370473 /nfs/dbraw/zinc/37/04/73/521370473.db2.gz DRTBBSPCPCHOIM-IRXDYDNUSA-N 0 0 444.597 4.763 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000008396390 521386379 /nfs/dbraw/zinc/38/63/79/521386379.db2.gz SPOOPXWWEXPVDQ-KRWDZBQOSA-N 0 0 446.569 4.511 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)c(C)n1CC ZINC000036004930 521387955 /nfs/dbraw/zinc/38/79/55/521387955.db2.gz KJZRRNMLIISDAS-GOSISDBHSA-N 0 0 444.547 4.697 50 0 IJAARN CCOC(=O)c1c(NC(=O)NCc2cccn2Cc2ccccc2)sc2c1CCCC2 ZINC000020603522 521411137 /nfs/dbraw/zinc/41/11/37/521411137.db2.gz QDBKPFQNOZJUJX-UHFFFAOYSA-N 0 0 437.565 4.975 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccccc1CC ZINC000015680328 521413288 /nfs/dbraw/zinc/41/32/88/521413288.db2.gz RJBXSUULWLMQAS-UHFFFAOYSA-N 0 0 441.553 4.656 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2nncn3c4ccsc4cc23)cc1 ZINC000020510673 521508214 /nfs/dbraw/zinc/50/82/14/521508214.db2.gz QXNDBKYQEBDTGQ-QGZVFWFLSA-N 0 0 440.550 4.630 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035866080 521543849 /nfs/dbraw/zinc/54/38/49/521543849.db2.gz KXEMCUVRDKPWEP-MRXNPFEDSA-N 0 0 426.630 4.607 50 0 IJAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccn(CC)n1)CCCC2 ZINC000017102584 521549952 /nfs/dbraw/zinc/54/99/52/521549952.db2.gz MEMCYJKIQVWXFN-UHFFFAOYSA-N 0 0 438.553 4.747 50 0 IJAARN CCOc1ccccc1OCCCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000012506529 521564226 /nfs/dbraw/zinc/56/42/26/521564226.db2.gz OYQPEMWWDUWUEP-LJQANCHMSA-N 0 0 427.570 4.731 50 0 IJAARN CCCN(CC(=O)c1cc(C)n(Cc2ccccc2)c1C)Cc1nnc(-c2ccco2)o1 ZINC000057383065 521575158 /nfs/dbraw/zinc/57/51/58/521575158.db2.gz DWPUZDAUFAVQGW-UHFFFAOYSA-N 0 0 432.524 4.891 50 0 IJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012877720 521592542 /nfs/dbraw/zinc/59/25/42/521592542.db2.gz SEAWKEDAGUOXED-FLPLKEEPSA-N 0 0 449.547 4.722 50 0 biogenic IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385561 521601389 /nfs/dbraw/zinc/60/13/89/521601389.db2.gz DHLLJIROUDVVGN-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2c1C ZINC000021150937 521607909 /nfs/dbraw/zinc/60/79/09/521607909.db2.gz ICZUXKZYICQSCH-IBGZPJMESA-N 0 0 431.485 4.583 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cc(C(C)C)no3)cc2c1C ZINC000033086982 521608601 /nfs/dbraw/zinc/60/86/01/521608601.db2.gz ATBIVIMCUSLPJY-GOSISDBHSA-N 0 0 446.525 4.555 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)nc1 ZINC000012409152 521621133 /nfs/dbraw/zinc/62/11/33/521621133.db2.gz BCOZYFYGBHHYEV-UHFFFAOYSA-N 0 0 431.945 4.648 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc2ccccc2c1=O ZINC000020787332 521633980 /nfs/dbraw/zinc/63/39/80/521633980.db2.gz LZMHLSZGBQFCLE-UHFFFAOYSA-N 0 0 446.370 4.608 50 0 IJAARN CCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000020924244 521654655 /nfs/dbraw/zinc/65/46/55/521654655.db2.gz NYUABTOBILBFFC-UHFFFAOYSA-N 0 0 444.572 4.846 50 0 IJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OCC)cc1 ZINC000021889243 521711871 /nfs/dbraw/zinc/71/18/71/521711871.db2.gz UKXAUEVQSPQJTC-RUZDIDTESA-N 0 0 433.552 4.917 50 0 IJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OCC)cc1 ZINC000021889242 521711992 /nfs/dbraw/zinc/71/19/92/521711992.db2.gz UKXAUEVQSPQJTC-VWLOTQADSA-N 0 0 433.552 4.917 50 0 IJAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(F)cc2)C2CCCCC2)c(C)n1C ZINC000036025146 521751264 /nfs/dbraw/zinc/75/12/64/521751264.db2.gz PMMODKXLNRMPNP-QGZVFWFLSA-N 0 0 442.531 4.614 50 0 IJAARN CCc1cccc(NC(=O)[C@H](CC)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)c1 ZINC000020563808 521766521 /nfs/dbraw/zinc/76/65/21/521766521.db2.gz LDLZNBWFTWFVRR-QFIPXVFZSA-N 0 0 443.551 4.660 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000033085374 521786135 /nfs/dbraw/zinc/78/61/35/521786135.db2.gz ORSMIZQCRKPOCJ-HXUWFJFHSA-N 0 0 435.553 4.635 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)NCc3cccnc3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910651 521793134 /nfs/dbraw/zinc/79/31/34/521793134.db2.gz KVTHUZMUVGIMBT-QFIPXVFZSA-N 0 0 443.547 4.981 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2C)CC1)c1ccccc1 ZINC000035890301 521820341 /nfs/dbraw/zinc/82/03/41/521820341.db2.gz KCFADRCUPBOZCB-HSZRJFAPSA-N 0 0 432.543 4.742 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3NC(=O)Cc3ccccc3)n2)cc(OC)c1OC ZINC000022462108 521911130 /nfs/dbraw/zinc/91/11/30/521911130.db2.gz BZQUCGQQACPPCY-UHFFFAOYSA-N 0 0 445.475 4.611 50 0 IJAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 ZINC000012748100 522036051 /nfs/dbraw/zinc/03/60/51/522036051.db2.gz NHGDWOYFAMCOKH-HNNXBMFYSA-N 0 0 443.594 4.972 50 0 IJAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1Sc1cc(C)nc(C)n1 ZINC000012887199 522067857 /nfs/dbraw/zinc/06/78/57/522067857.db2.gz LUPAWKMBHJQOQH-UHFFFAOYSA-N 0 0 447.564 4.729 50 0 IJAARN CN(C)c1c(CN(C(=O)c2ccc(F)cc2)C2CC2)c(C(F)(F)F)nn1-c1ccccc1 ZINC000035975260 522110011 /nfs/dbraw/zinc/11/00/11/522110011.db2.gz HRXCBYFMEIMATN-UHFFFAOYSA-N 0 0 446.448 4.901 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000021915424 522118865 /nfs/dbraw/zinc/11/88/65/522118865.db2.gz RYPKRDXAQHOWMM-UHFFFAOYSA-N 0 0 443.503 4.562 50 0 IJAARN CCc1nc(-c2ccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)cc2)cs1 ZINC000065032326 522142168 /nfs/dbraw/zinc/14/21/68/522142168.db2.gz DKDXLGNFMDXVMW-UHFFFAOYSA-N 0 0 438.940 4.935 50 0 IJAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)s2)no1 ZINC000035539296 522142333 /nfs/dbraw/zinc/14/23/33/522142333.db2.gz DCUPWSWMQQJECT-UHFFFAOYSA-N 0 0 442.360 4.541 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)cc(OC)c1OC ZINC000020730553 522152304 /nfs/dbraw/zinc/15/23/04/522152304.db2.gz ZRNXLISZHXTSQZ-UHFFFAOYSA-N 0 0 439.855 4.821 50 0 IJAARN COc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1OC ZINC000012910877 522199849 /nfs/dbraw/zinc/19/98/49/522199849.db2.gz KPONFCTWLYDZBI-UHFFFAOYSA-N 0 0 432.520 4.656 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035928523 522221236 /nfs/dbraw/zinc/22/12/36/522221236.db2.gz JUKGPFQBOFHCNO-XMMPIXPASA-N 0 0 435.524 4.923 50 0 IJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@@H]1CCCO1)C(=O)c1ccco1 ZINC000035944889 522222329 /nfs/dbraw/zinc/22/23/29/522222329.db2.gz QGBGCBUJZHYFFZ-FQEVSTJZSA-N 0 0 441.572 4.542 50 0 IJAARN COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000033128698 522232532 /nfs/dbraw/zinc/23/25/32/522232532.db2.gz CIDUUPGRZAUYTC-UHFFFAOYSA-N 0 0 429.476 4.629 50 0 IJAARN CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936536 522331815 /nfs/dbraw/zinc/33/18/15/522331815.db2.gz OCKVHECTASETMD-XPGWFJOJSA-N 0 0 434.565 4.842 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000035723987 522379548 /nfs/dbraw/zinc/37/95/48/522379548.db2.gz LIYQJNGJDIBMRE-KDOFPFPSSA-N 0 0 442.972 4.950 50 0 IJAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000036002880 522441040 /nfs/dbraw/zinc/44/10/40/522441040.db2.gz ZHTPGLYEVIIQED-MRXNPFEDSA-N 0 0 448.958 4.824 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(=O)c1ccccc1Cl ZINC000035948510 522451141 /nfs/dbraw/zinc/45/11/41/522451141.db2.gz TWPPDHCQHLPQTP-QGZVFWFLSA-N 0 0 443.981 4.913 50 0 IJAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)Cc1nc2ccccc2s1 ZINC000012652105 522496271 /nfs/dbraw/zinc/49/62/71/522496271.db2.gz ZEJSLAAPBYMUII-UHFFFAOYSA-N 0 0 448.514 4.986 50 0 IJAARN COc1cc(Cl)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1 ZINC000020580681 522530421 /nfs/dbraw/zinc/53/04/21/522530421.db2.gz RXQFPDAFGJOUPB-UHFFFAOYSA-N 0 0 436.917 4.738 50 0 IJAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cc(C)n(CCc2cccs2)c1C ZINC000021979049 522625312 /nfs/dbraw/zinc/62/53/12/522625312.db2.gz KCFQVNQABAJIRS-UHFFFAOYSA-N 0 0 446.956 4.693 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H]1CCCO1)C(C)=O ZINC000035975860 522641990 /nfs/dbraw/zinc/64/19/90/522641990.db2.gz VSTQEWBHNPBLSD-FQEVSTJZSA-N 0 0 437.515 4.894 50 0 IJAARN COc1cc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc(OC)c1OC ZINC000033128740 522704167 /nfs/dbraw/zinc/70/41/67/522704167.db2.gz UYFQCVICWCUTFK-UHFFFAOYSA-N 0 0 447.491 4.559 50 0 IJAARN COc1cc(Nc2ccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)nc(C)n1 ZINC000012226168 522771086 /nfs/dbraw/zinc/77/10/86/522771086.db2.gz GKPUYQSBLIIZIZ-UHFFFAOYSA-N 0 0 446.532 4.590 50 0 IJAARN COCC(=O)Nc1cccc(-n2nc(OC(C)C)nc2-c2ccc(Cl)c(Cl)c2)c1 ZINC000037396446 522788660 /nfs/dbraw/zinc/78/86/60/522788660.db2.gz IQHMGHRPPXCRGR-UHFFFAOYSA-N 0 0 435.311 4.613 50 0 IJAARN CCc1nnc2c(Oc3cccc(NC(=O)c4ccc(OC)cc4)c3)nc3ccccc3n12 ZINC000035461144 522795590 /nfs/dbraw/zinc/79/55/90/522795590.db2.gz RFJBLNNWPACXFV-UHFFFAOYSA-N 0 0 439.475 4.893 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)c1 ZINC000015881053 522859899 /nfs/dbraw/zinc/85/98/99/522859899.db2.gz BDFIISPZHXBPCB-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN COc1cc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)ccc1Cl ZINC000012463162 522898191 /nfs/dbraw/zinc/89/81/91/522898191.db2.gz NMGBMGUWRBUUMM-UHFFFAOYSA-N 0 0 427.913 4.773 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)NC4CCCCCC4)c(C)c13)CCC(C)(C)O2 ZINC000012900304 522993944 /nfs/dbraw/zinc/99/39/44/522993944.db2.gz CWNVITXWOXFMAJ-UHFFFAOYSA-N 0 0 427.541 4.595 50 0 biogenic IJAARN COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)NCc3ccc(C)cc3)cc1)=NCC2 ZINC000035623017 523022607 /nfs/dbraw/zinc/02/26/07/523022607.db2.gz QPNPXZRZRRSQCI-UHFFFAOYSA-N 0 0 443.547 4.922 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CCCC1)N(Cc1ccc(C)cc1)CC2 ZINC000036042958 523037933 /nfs/dbraw/zinc/03/79/33/523037933.db2.gz BKNIKJMIFLJZRD-NIYFSFCBSA-N 0 0 436.596 4.807 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)COc1ccc(C)c(C)c1)CC2 ZINC000016002577 523044494 /nfs/dbraw/zinc/04/44/94/523044494.db2.gz WDHMTISFEINTGD-VWLOTQADSA-N 0 0 437.561 4.935 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccc5[nH]ccc5c4)ccc32)cc1 ZINC000012893047 523089445 /nfs/dbraw/zinc/08/94/45/523089445.db2.gz KUJNTYSYODCPFI-UHFFFAOYSA-N 0 0 440.455 4.967 50 0 biogenic IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4C)nc3n2)cc1 ZINC000021727655 523106108 /nfs/dbraw/zinc/10/61/08/523106108.db2.gz GAUSCZGEWBNFTL-UHFFFAOYSA-N 0 0 445.376 4.519 50 0 IJAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000020580406 523110008 /nfs/dbraw/zinc/11/00/08/523110008.db2.gz INEFUQFMGRGEPD-UHFFFAOYSA-N 0 0 437.315 4.530 50 0 IJAARN COc1ccc(-c2cc(NC(=O)COc3cccc(C)c3C)n(-c3ccccn3)n2)cc1 ZINC000041157000 523110608 /nfs/dbraw/zinc/11/06/08/523110608.db2.gz SWTHKPVVSFPZSY-UHFFFAOYSA-N 0 0 428.492 4.577 50 0 IJAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](Nc4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC000012448639 523130259 /nfs/dbraw/zinc/13/02/59/523130259.db2.gz PXCYKJAWTFOHLW-LJQANCHMSA-N 0 0 436.508 4.689 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC ZINC000012456529 523167167 /nfs/dbraw/zinc/16/71/67/523167167.db2.gz KMPOIVWPTAEHDZ-QGZVFWFLSA-N 0 0 439.585 4.559 50 0 IJAARN CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000012322036 523202276 /nfs/dbraw/zinc/20/22/76/523202276.db2.gz CXRNVRMKRLCSID-UHFFFAOYSA-N 0 0 433.537 4.708 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)c(C)o2)cc1 ZINC000015774520 523202885 /nfs/dbraw/zinc/20/28/85/523202885.db2.gz AJDKIOMYJPPJQS-UHFFFAOYSA-N 0 0 440.931 4.662 50 0 IJAARN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1[C@@H](C)Oc1ccccc1 ZINC000013567167 523221592 /nfs/dbraw/zinc/22/15/92/523221592.db2.gz JUQIQSHXEBXEOA-NXTQRVMMSA-N 0 0 440.613 4.615 50 0 IJAARN CCn1c(SCC(=O)OCc2csc(-c3ccccc3)n2)nnc1-c1cccs1 ZINC000012690949 523232629 /nfs/dbraw/zinc/23/26/29/523232629.db2.gz UWMZXRPMQMZRCD-UHFFFAOYSA-N 0 0 442.591 4.986 50 0 IJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035684880 523247700 /nfs/dbraw/zinc/24/77/00/523247700.db2.gz INDPQDWZAOOOHN-QGZVFWFLSA-N 0 0 428.851 4.831 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012583358 523247731 /nfs/dbraw/zinc/24/77/31/523247731.db2.gz MIEJRYJMFXVLBY-UHFFFAOYSA-N 0 0 427.460 4.588 50 0 IJAARN COc1ccc(-c2nnc(SCc3ccc4ccccc4n3)n2C[C@H]2CCCO2)cc1 ZINC000012594319 523264546 /nfs/dbraw/zinc/26/45/46/523264546.db2.gz VBMGUMNTMGNTTD-OAQYLSRUSA-N 0 0 432.549 4.973 50 0 IJAARN CCn1c2nc(-c3ccc(OC(F)F)c(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605690 523297891 /nfs/dbraw/zinc/29/78/91/523297891.db2.gz SWJYPCHIUVACMO-UHFFFAOYSA-N 0 0 447.385 4.770 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000035319235 523301356 /nfs/dbraw/zinc/30/13/56/523301356.db2.gz YEGDMNXCXPKUDH-KRWDZBQOSA-N 0 0 443.301 4.877 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCc2ccco2)c2ccccc21 ZINC000020867577 523302189 /nfs/dbraw/zinc/30/21/89/523302189.db2.gz IHXGVMVQQGAKAN-HMAPJEAMSA-N 0 0 447.922 4.995 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020438852 523302874 /nfs/dbraw/zinc/30/28/74/523302874.db2.gz IHUZWKGEWOZIIR-QJOMJCCJSA-N 0 0 433.527 4.974 50 0 IJAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)cc1 ZINC000036040851 523326199 /nfs/dbraw/zinc/32/61/99/523326199.db2.gz RFCMWBAIUGTIEP-UHFFFAOYSA-N 0 0 446.551 4.524 50 0 IJAARN COCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000020938852 523336949 /nfs/dbraw/zinc/33/69/49/523336949.db2.gz LNAFNPPHULSFNP-QFIPXVFZSA-N 0 0 427.932 4.524 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035884917 523420876 /nfs/dbraw/zinc/42/08/76/523420876.db2.gz IDVBDQAHPRCXEX-HSZRJFAPSA-N 0 0 430.504 4.647 50 0 IJAARN COc1ccc(Br)cc1-c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1 ZINC000014678387 523487594 /nfs/dbraw/zinc/48/75/94/523487594.db2.gz SHJOYNSOFVIIMG-UHFFFAOYSA-N 0 0 445.260 4.810 50 0 IJAARN COCCCn1c(SCCCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCC3 ZINC000012820744 523501789 /nfs/dbraw/zinc/50/17/89/523501789.db2.gz BEOVIXZARCGGQZ-UHFFFAOYSA-N 0 0 448.635 4.800 50 0 IJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012445061 523563522 /nfs/dbraw/zinc/56/35/22/523563522.db2.gz PRCRDACOOJGLSF-UHFFFAOYSA-N 0 0 449.942 4.661 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2OC)cc1 ZINC000017180215 523616935 /nfs/dbraw/zinc/61/69/35/523616935.db2.gz FHYDLGVNXDRCPS-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1=O ZINC000012785883 523631286 /nfs/dbraw/zinc/63/12/86/523631286.db2.gz XKJAWYCVPXDGBT-AREMUKBSSA-N 0 0 443.503 4.583 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1Br ZINC000012753350 523638065 /nfs/dbraw/zinc/63/80/65/523638065.db2.gz XOZJOPKNJGAKHI-QGZVFWFLSA-N 0 0 432.314 4.596 50 0 IJAARN COc1ccc(C(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000012420868 523673970 /nfs/dbraw/zinc/67/39/70/523673970.db2.gz ZIDANEKFDRNTAJ-VWLOTQADSA-N 0 0 438.487 4.639 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000033121942 523712915 /nfs/dbraw/zinc/71/29/15/523712915.db2.gz GKIPRPPLXVWAFZ-UHFFFAOYSA-N 0 0 437.956 4.981 50 0 IJAARN CCc1c(C)sc(NC(=O)[C@@H](CC)n2nc(C(F)(F)F)c3c2CCC3)c1C(=O)OC ZINC000020607576 523717015 /nfs/dbraw/zinc/71/70/15/523717015.db2.gz AGKSCUIWNAVFPF-CYBMUJFWSA-N 0 0 443.491 4.699 50 0 IJAARN COc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1OC ZINC000020258884 523736633 /nfs/dbraw/zinc/73/66/33/523736633.db2.gz UFPBOYUUQCMZDU-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(Oc3nc4ccccc4n4c(C)nnc34)cc2)cc1 ZINC000035460911 523753379 /nfs/dbraw/zinc/75/33/79/523753379.db2.gz CJRWRDLMYMEKLC-UHFFFAOYSA-N 0 0 425.448 4.639 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2C)CC1)c1ccccc1 ZINC000035890299 523763901 /nfs/dbraw/zinc/76/39/01/523763901.db2.gz KCFADRCUPBOZCB-QHCPKHFHSA-N 0 0 432.543 4.742 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1Br ZINC000022294986 523764020 /nfs/dbraw/zinc/76/40/20/523764020.db2.gz FVPPJHCHLQGCTG-STQMWFEESA-N 0 0 438.391 4.644 50 0 IJAARN COCCN(Cc1cccs1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000040132037 523766886 /nfs/dbraw/zinc/76/68/86/523766886.db2.gz PJXWQQDCSOKOKR-UHFFFAOYSA-N 0 0 426.586 4.722 50 0 IJAARN CN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000012621198 523831712 /nfs/dbraw/zinc/83/17/12/523831712.db2.gz KRKIMWFNKJYUEP-UHFFFAOYSA-N 0 0 435.446 4.792 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000022811006 523839104 /nfs/dbraw/zinc/83/91/04/523839104.db2.gz ZDHQJQXZRIKWRC-DEOSSOPVSA-N 0 0 435.593 4.563 50 0 IJAARN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C3=O)s1 ZINC000021809979 523847169 /nfs/dbraw/zinc/84/71/69/523847169.db2.gz RVNNOIGSJGQXQP-DEOSSOPVSA-N 0 0 439.581 4.722 50 0 IJAARN CCc1cc2c(nc(SCC(=O)c3ccc(F)cc3)n(Cc3ccco3)c2=O)s1 ZINC000012583900 523847549 /nfs/dbraw/zinc/84/75/49/523847549.db2.gz IERLRIOPFJNVBU-UHFFFAOYSA-N 0 0 428.510 4.776 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)cc1 ZINC000020603768 523853232 /nfs/dbraw/zinc/85/32/32/523853232.db2.gz AFAUPTYEODSIIE-CQSZACIVSA-N 0 0 435.471 4.881 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)NC(C)C)C2)cc1 ZINC000035944473 523881234 /nfs/dbraw/zinc/88/12/34/523881234.db2.gz WEQTYDSLSWAXMR-FQEVSTJZSA-N 0 0 449.473 4.827 50 0 IJAARN COc1ccc(CCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000012860122 523919737 /nfs/dbraw/zinc/91/97/37/523919737.db2.gz WZMFGZWADUQDQK-RUZDIDTESA-N 0 0 437.561 4.881 50 0 IJAARN COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1OC ZINC000012594125 523925361 /nfs/dbraw/zinc/92/53/61/523925361.db2.gz HOCKAXVUFXDCRB-NRFANRHFSA-N 0 0 433.552 4.652 50 0 IJAARN CCc1ccc(CNC(=O)CN(C(=O)C2=C(C)OCCS2)c2ccc(Cl)cc2)cc1 ZINC000015724465 523932607 /nfs/dbraw/zinc/93/26/07/523932607.db2.gz HGBWVAVOCGBAFB-UHFFFAOYSA-N 0 0 444.984 4.547 50 0 IJAARN CCc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000033048934 523933523 /nfs/dbraw/zinc/93/35/23/523933523.db2.gz RJSBQPWAOQXHCI-UHFFFAOYSA-N 0 0 431.923 4.596 50 0 IJAARN CN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000014949137 523936595 /nfs/dbraw/zinc/93/65/95/523936595.db2.gz XNQWAVPHJBSMKU-RUZDIDTESA-N 0 0 432.564 4.616 50 0 IJAARN CN(C(=O)c1ccccc1C(=O)OCc1cc2c(c(Cl)c1)OCO2)C1CCCCC1 ZINC000021977502 523947780 /nfs/dbraw/zinc/94/77/80/523947780.db2.gz AZQOIMIUDOKICB-UHFFFAOYSA-N 0 0 429.900 4.830 50 0 IJAARN COc1ccc(CCNC(=O)C[C@@]2(c3ccccc3C)CCOC(C)(C)C2)cc1OC ZINC000012323199 523959960 /nfs/dbraw/zinc/95/99/60/523959960.db2.gz OYMTZSMJSQASMI-SANMLTNESA-N 0 0 425.569 4.588 50 0 IJAARN COc1ccc(CCNC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000022503184 523965052 /nfs/dbraw/zinc/96/50/52/523965052.db2.gz PZWVAVMCIJHSEJ-UHFFFAOYSA-N 0 0 429.520 4.652 50 0 IJAARN COc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccc(C)cc3)c2Cl)cc1 ZINC000011665724 523972823 /nfs/dbraw/zinc/97/28/23/523972823.db2.gz BXJMIWWTWRZMDR-UHFFFAOYSA-N 0 0 434.927 4.672 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021714001 523986494 /nfs/dbraw/zinc/98/64/94/523986494.db2.gz CMOIELLTDLKGQJ-UHFFFAOYSA-N 0 0 435.549 4.953 50 0 IJAARN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158135 524009628 /nfs/dbraw/zinc/00/96/28/524009628.db2.gz KMCUPSMKHMSOSX-KRWDZBQOSA-N 0 0 439.556 4.981 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036002079 524021843 /nfs/dbraw/zinc/02/18/43/524021843.db2.gz IDVTUWWURLJRSQ-UHFFFAOYSA-N 0 0 444.959 4.977 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)c(OC)c1 ZINC000065057909 524065999 /nfs/dbraw/zinc/06/59/99/524065999.db2.gz XRLHHIUVYZFWOV-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000012850590 524068026 /nfs/dbraw/zinc/06/80/26/524068026.db2.gz GDDXHQCCFBUNQF-WOJBJXKFSA-N 0 0 444.457 4.790 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1 ZINC000012546113 524068179 /nfs/dbraw/zinc/06/81/79/524068179.db2.gz ZKSGYPUUIICFCE-UHFFFAOYSA-N 0 0 444.560 4.636 50 0 IJAARN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012778383 524119570 /nfs/dbraw/zinc/11/95/70/524119570.db2.gz ZAUOPPCQPLBWBQ-INIZCTEOSA-N 0 0 430.751 4.637 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000012871322 524126235 /nfs/dbraw/zinc/12/62/35/524126235.db2.gz XUJZNFMPZLWHTG-UHFFFAOYSA-N 0 0 436.625 4.815 50 0 IJAARN Cc1cccc(-c2noc(-c3ccc(CSCC(=O)NCc4ccc(F)cc4)o3)n2)c1 ZINC000033262387 524129327 /nfs/dbraw/zinc/12/93/27/524129327.db2.gz CGTWTRQXMJDDHL-UHFFFAOYSA-N 0 0 437.496 4.994 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)nn1C(F)F ZINC000020605949 524163600 /nfs/dbraw/zinc/16/36/00/524163600.db2.gz MEGYVKDDPSXUCP-UHFFFAOYSA-N 0 0 425.361 4.921 50 0 IJAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C)C[C@@H]2CCCO2)c1 ZINC000035944748 524166803 /nfs/dbraw/zinc/16/68/03/524166803.db2.gz OLFDSRFVHMCSBW-DEOSSOPVSA-N 0 0 449.595 4.621 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)n1C1CC1 ZINC000012846215 524171466 /nfs/dbraw/zinc/17/14/66/524171466.db2.gz GPGOGVLLIVBDNJ-UHFFFAOYSA-N 0 0 429.586 4.645 50 0 IJAARN COc1cccc([C@H]2CCCCN2C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)c1 ZINC000012586945 524175361 /nfs/dbraw/zinc/17/53/61/524175361.db2.gz MIEFFGVNPJOAIC-XMMPIXPASA-N 0 0 434.492 4.832 50 0 IJAARN COc1cccc([C@H]2[C@@H](C(=O)N(C)Cc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928086 524186227 /nfs/dbraw/zinc/18/62/27/524186227.db2.gz QWMVUEQIUIGFMP-UIOOFZCWSA-N 0 0 440.543 4.797 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N[C@H]2CCCC[C@H]2C)c2ccccc23)c1 ZINC000020355985 524197089 /nfs/dbraw/zinc/19/70/89/524197089.db2.gz OQLKKCQTPNUZHC-APWZRJJASA-N 0 0 449.580 4.718 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000035949491 524230759 /nfs/dbraw/zinc/23/07/59/524230759.db2.gz NDLFLYZNDZEMLV-JOCHJYFZSA-N 0 0 438.547 4.560 50 0 IJAARN COc1ccccc1-c1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)n1C ZINC000012787721 524284305 /nfs/dbraw/zinc/28/43/05/524284305.db2.gz RTXPZQGXOLBJJY-AWEZNQCLSA-N 0 0 425.583 4.887 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000022414444 524303566 /nfs/dbraw/zinc/30/35/66/524303566.db2.gz ASZUZCYBZOIEIS-HNNXBMFYSA-N 0 0 441.380 4.650 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@@H]1C ZINC000012565314 524305941 /nfs/dbraw/zinc/30/59/41/524305941.db2.gz RWNYMRMYYVQYHZ-PMAPCBKXSA-N 0 0 449.526 4.776 50 0 IJAARN C[C@H](CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000020903070 524311386 /nfs/dbraw/zinc/31/13/86/524311386.db2.gz IROKRSBZCCSTKH-WINIVTDRSA-N 0 0 429.564 4.718 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCc2cccs2)cc1 ZINC000020939450 524347595 /nfs/dbraw/zinc/34/75/95/524347595.db2.gz QIIMBYNDORUIJV-UHFFFAOYSA-N 0 0 438.578 4.834 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(OCCC(C)C)c1)N(CCCO)C3=O ZINC000016752885 524351627 /nfs/dbraw/zinc/35/16/27/524351627.db2.gz JMPKXGGAOWKXES-QHCPKHFHSA-N 0 0 449.547 4.762 50 0 IJAARN COc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1-c1nc(-c2ccccc2)no1 ZINC000020717575 524356390 /nfs/dbraw/zinc/35/63/90/524356390.db2.gz YBQXTTJBDWOOSM-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN Cc1cc(C)cc(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)c1 ZINC000012794373 524361884 /nfs/dbraw/zinc/36/18/84/524361884.db2.gz RQOMRGMQDLMNDY-UHFFFAOYSA-N 0 0 441.325 4.940 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862689 524410695 /nfs/dbraw/zinc/41/06/95/524410695.db2.gz FOHHJZXHWGIGKO-HHHXNRCGSA-N 0 0 444.579 4.533 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810920 524431884 /nfs/dbraw/zinc/43/18/84/524431884.db2.gz WUVGQPGHSLBDEY-OWRPTYIMSA-N 0 0 433.552 4.652 50 0 IJAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862053 524433582 /nfs/dbraw/zinc/43/35/82/524433582.db2.gz DGLSSLXMGBTHSJ-HHHXNRCGSA-N 0 0 444.579 4.598 50 0 IJAARN COc1ccccc1CN1Cc2cc(NC(=O)OCc3ccccc3)ccc2O[C@@H](C)C1=O ZINC000035885127 524458758 /nfs/dbraw/zinc/45/87/58/524458758.db2.gz ICSLUBASLZOCIQ-SFHVURJKSA-N 0 0 446.503 4.754 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)CCNC(=O)c3ccc(F)cc3F)s2)c1Cl ZINC000012769250 524472442 /nfs/dbraw/zinc/47/24/42/524472442.db2.gz IVZBOBAWKDOVRN-UHFFFAOYSA-N 0 0 449.910 4.733 50 0 IJAARN COc1ccccc1CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(F)cc1 ZINC000021361956 524479146 /nfs/dbraw/zinc/47/91/46/524479146.db2.gz FYKCLHXNKCSRSU-UHFFFAOYSA-N 0 0 431.467 4.806 50 0 IJAARN COc1ccccc1CNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc21 ZINC000021662863 524482025 /nfs/dbraw/zinc/48/20/25/524482025.db2.gz GZUCAQUZMDWWGV-UHFFFAOYSA-N 0 0 425.488 4.799 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3C(C)=O)C2)cc1Cl ZINC000012443223 524484002 /nfs/dbraw/zinc/48/40/02/524484002.db2.gz SJGZZPPLFQGKLS-QGZVFWFLSA-N 0 0 442.943 4.822 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1Cl ZINC000012076781 524484747 /nfs/dbraw/zinc/48/47/47/524484747.db2.gz XREHOWRBGQVBJU-OAHLLOKOSA-N 0 0 433.936 4.731 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)CCCc3ccccc3)cc2)n1 ZINC000012438129 524489331 /nfs/dbraw/zinc/48/93/31/524489331.db2.gz LKPXJHSWCJUGNL-RUZDIDTESA-N 0 0 444.579 4.832 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1 ZINC000012872108 524489498 /nfs/dbraw/zinc/48/94/98/524489498.db2.gz PXRIXNRHWPEURU-UHFFFAOYSA-N 0 0 435.549 4.569 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2Cl)cc1NC(=O)c1cccc(F)c1 ZINC000032931490 524503823 /nfs/dbraw/zinc/50/38/23/524503823.db2.gz XSIVFAPAERXJEE-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530340 524521154 /nfs/dbraw/zinc/52/11/54/524521154.db2.gz PPZISEPAVNBBNG-OAQYLSRUSA-N 0 0 434.467 4.569 50 0 IJAARN COc1ccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)c(OC)c1 ZINC000012409496 524525948 /nfs/dbraw/zinc/52/59/48/524525948.db2.gz ODEAYPFZGZMABG-UHFFFAOYSA-N 0 0 438.427 4.907 50 0 IJAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000035910491 524532839 /nfs/dbraw/zinc/53/28/39/524532839.db2.gz QCCKJEHQXXTXHC-QFIPXVFZSA-N 0 0 442.537 4.714 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656440 524533516 /nfs/dbraw/zinc/53/35/16/524533516.db2.gz IIYCMSCHEDMTSZ-RBBKRZOGSA-N 0 0 430.552 4.623 50 0 IJAARN Cc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C ZINC000012755452 524587467 /nfs/dbraw/zinc/58/74/67/524587467.db2.gz MNRCTJXIKZXGRJ-UHFFFAOYSA-N 0 0 425.916 4.642 50 0 IJAARN COc1ccccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C(C)(C)C)C3 ZINC000021352487 524589956 /nfs/dbraw/zinc/58/99/56/524589956.db2.gz CRBNUGAYQDVMOF-CQSZACIVSA-N 0 0 439.581 4.716 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(Cl)ccc2OC)cs1 ZINC000016047534 524616368 /nfs/dbraw/zinc/61/63/68/524616368.db2.gz SJLQSDQVPDUJDT-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2C)cs1 ZINC000015880765 524617520 /nfs/dbraw/zinc/61/75/20/524617520.db2.gz PBSPMNYFLOUAPN-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)cc1 ZINC000035181024 524644606 /nfs/dbraw/zinc/64/46/06/524644606.db2.gz MLIOQUKBAWDNQE-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1cc(CN(C)C(=O)c2sc3ncnc(NCCC4=CCCCC4)c3c2C)on1 ZINC000012279374 524659275 /nfs/dbraw/zinc/65/92/75/524659275.db2.gz MRLZTUMAFFSWOE-UHFFFAOYSA-N 0 0 425.558 4.871 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)cc1 ZINC000021846043 524721758 /nfs/dbraw/zinc/72/17/58/524721758.db2.gz PWRHDUKPLJJBFU-HNNXBMFYSA-N 0 0 432.596 4.808 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)c2cc(C3CC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021852279 524731400 /nfs/dbraw/zinc/73/14/00/524731400.db2.gz QMDYLSQLUUTMSY-DEOSSOPVSA-N 0 0 440.975 4.590 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000012860741 524785061 /nfs/dbraw/zinc/78/50/61/524785061.db2.gz PPAGDAGGNOMNME-FXAWDEMLSA-N 0 0 428.554 4.556 50 0 IJAARN Cc1cccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccco2)CC3)c1 ZINC000034757849 524788147 /nfs/dbraw/zinc/78/81/47/524788147.db2.gz NQORSWQQAWSNBI-UHFFFAOYSA-N 0 0 432.524 4.605 50 0 IJAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001088927 524816007 /nfs/dbraw/zinc/81/60/07/524816007.db2.gz KCIJVZDZECUOJA-HTAPYJJXSA-N 0 0 435.549 4.650 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000018204669 524901362 /nfs/dbraw/zinc/90/13/62/524901362.db2.gz DMQDNVYWFDKCEO-SFHVURJKSA-N 0 0 446.547 4.587 50 0 IJAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3Oc3ccccc3)C(=O)[C@@H]2C)cc1 ZINC000012549192 524925477 /nfs/dbraw/zinc/92/54/77/524925477.db2.gz VVHCVNAVYJDXGT-SFHVURJKSA-N 0 0 429.476 4.583 50 0 IJAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012546175 524950714 /nfs/dbraw/zinc/95/07/14/524950714.db2.gz XEILDONCPIMFTI-DOTOQJQBSA-N 0 0 447.988 4.726 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4noc(C5CCC5)n4)c3)CC2=O)cc1C ZINC000021883523 524979538 /nfs/dbraw/zinc/97/95/38/524979538.db2.gz IXJZTLOTUBFLDP-IBGZPJMESA-N 0 0 430.508 4.613 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1 ZINC000020899940 524979743 /nfs/dbraw/zinc/97/97/43/524979743.db2.gz GNNKZQFBKVBZTQ-IBGZPJMESA-N 0 0 438.487 4.704 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)nn1 ZINC000022485291 525007342 /nfs/dbraw/zinc/00/73/42/525007342.db2.gz DBCHILMBPBAYRP-NRFANRHFSA-N 0 0 439.563 4.509 50 0 IJAARN Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)cc1C ZINC000012649668 525019791 /nfs/dbraw/zinc/01/97/91/525019791.db2.gz YCPLYLACUXHNFJ-XBLGPDGASA-N 0 0 429.362 4.592 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)cc1 ZINC000033260143 525028642 /nfs/dbraw/zinc/02/86/42/525028642.db2.gz SQBUXLBTQGKTHF-UHFFFAOYSA-N 0 0 446.942 4.608 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034757927 525049925 /nfs/dbraw/zinc/04/99/25/525049925.db2.gz VQUGRHLGADHAML-UHFFFAOYSA-N 0 0 432.499 4.515 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885319 525061884 /nfs/dbraw/zinc/06/18/84/525061884.db2.gz YTJCFCWSOXVISW-OAHLLOKOSA-N 0 0 440.952 4.892 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2N(C)C1=O ZINC000041155970 525062212 /nfs/dbraw/zinc/06/22/12/525062212.db2.gz CKKBQSUNMCESAQ-OAHLLOKOSA-N 0 0 436.895 4.915 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccccc1OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000035372097 525066165 /nfs/dbraw/zinc/06/61/65/525066165.db2.gz APTRHMIPJQOFGD-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2NCc2ccccc2)cc1 ZINC000022574196 525094061 /nfs/dbraw/zinc/09/40/61/525094061.db2.gz SGVKVUVGCMBNGE-UHFFFAOYSA-N 0 0 434.517 4.697 50 0 IJAARN C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(F)cc1F ZINC000021462511 525115642 /nfs/dbraw/zinc/11/56/42/525115642.db2.gz GGWLQBIZUPJXRZ-CQSZACIVSA-N 0 0 436.414 4.807 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000020903009 525196570 /nfs/dbraw/zinc/19/65/70/525196570.db2.gz PHZIEHNJJWDZMX-RUZDIDTESA-N 0 0 435.955 4.768 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCc1cccs1 ZINC000021869077 525197283 /nfs/dbraw/zinc/19/72/83/525197283.db2.gz SYCZSSWPFHAKGO-AREMUKBSSA-N 0 0 447.604 4.733 50 0 IJAARN Cc1ccccc1NC(=O)CCc1nc(CSc2nnc(-c3ccccc3C)o2)no1 ZINC000021721624 525235823 /nfs/dbraw/zinc/23/58/23/525235823.db2.gz ZALFRPHLGXVMNT-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012887503 525253317 /nfs/dbraw/zinc/25/33/17/525253317.db2.gz ASIPAEWBVNLIPI-MRXNPFEDSA-N 0 0 438.505 4.650 50 0 IJAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000033088386 525257734 /nfs/dbraw/zinc/25/77/34/525257734.db2.gz HGHJHHPLCMSCEQ-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cn3ccccc3n2)c(F)c1 ZINC000012445276 525277142 /nfs/dbraw/zinc/27/71/42/525277142.db2.gz SFMPCCNUSQTTCS-RUZDIDTESA-N 0 0 440.478 4.751 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(OC)cc2)cc1 ZINC000036617058 525313422 /nfs/dbraw/zinc/31/34/22/525313422.db2.gz FTRWZONZLWVVCH-INIZCTEOSA-N 0 0 430.508 4.546 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)s2)c(C)c1 ZINC000012524881 525330382 /nfs/dbraw/zinc/33/03/82/525330382.db2.gz IQRGLHZHOZDTCL-IBGZPJMESA-N 0 0 440.594 4.591 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccc(C)c(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561269 525344109 /nfs/dbraw/zinc/34/41/09/525344109.db2.gz QMEUJMCUKHWDPK-QFIPXVFZSA-N 0 0 448.494 4.877 50 0 IJAARN Cc1ccc(OCn2cc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cn2)c(C)c1 ZINC000020608203 525455406 /nfs/dbraw/zinc/45/54/06/525455406.db2.gz PLCCOUMOYUPVEX-UHFFFAOYSA-N 0 0 449.458 4.756 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)cc3)C2)cc1 ZINC000033289125 525481342 /nfs/dbraw/zinc/48/13/42/525481342.db2.gz AROAHQLUUFLJIW-IRLDBZIGSA-N 0 0 430.552 4.980 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)cc1 ZINC000015993669 525498263 /nfs/dbraw/zinc/49/82/63/525498263.db2.gz JRJKHNMMQYBGIC-UHFFFAOYSA-N 0 0 446.475 4.674 50 0 IJAARN Cc1cc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715020 525498711 /nfs/dbraw/zinc/49/87/11/525498711.db2.gz LQRQSBFUTDUBMM-RPBOFIJWSA-N 0 0 444.550 4.739 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)no1 ZINC000021718679 525545072 /nfs/dbraw/zinc/54/50/72/525545072.db2.gz IRIIHUMTCYIKHF-GOSISDBHSA-N 0 0 441.413 4.689 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000036040015 525545894 /nfs/dbraw/zinc/54/58/94/525545894.db2.gz JUQGYTLIFLVABO-XMMPIXPASA-N 0 0 440.996 4.744 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c(Br)c1 ZINC000012520405 525583165 /nfs/dbraw/zinc/58/31/65/525583165.db2.gz PXGMVGDGQDTRTQ-NSHDSACASA-N 0 0 444.301 4.542 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2C)C3=O)o1 ZINC000021810823 525617863 /nfs/dbraw/zinc/61/78/63/525617863.db2.gz WVWKMXWYSCKSON-AREMUKBSSA-N 0 0 433.552 4.715 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C3=O ZINC000020902896 525642672 /nfs/dbraw/zinc/64/26/72/525642672.db2.gz KMUMSQOXZCFLMB-SANMLTNESA-N 0 0 449.526 4.657 50 0 IJAARN Cc1c(C(=O)Nc2cc(-c3cccc(F)c3)no2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020489126 525651249 /nfs/dbraw/zinc/65/12/49/525651249.db2.gz MDGAUCSPIZAJPL-UHFFFAOYSA-N 0 0 438.484 4.539 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC4=CCCCC4)cc3)c2cc1C ZINC000033006035 525669981 /nfs/dbraw/zinc/66/99/81/525669981.db2.gz QFKNDTIGGRWGLW-UHFFFAOYSA-N 0 0 429.564 4.990 50 0 IJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3ccc(C)c(F)c3)cc(=O)n2o1 ZINC000041077225 525671803 /nfs/dbraw/zinc/67/18/03/525671803.db2.gz LLORMWXINNXDJU-UHFFFAOYSA-N 0 0 441.846 4.528 50 0 IJAARN Cc1cc2nc(COc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc(=O)n2o1 ZINC000041089659 525674194 /nfs/dbraw/zinc/67/41/94/525674194.db2.gz SKPWPDBHQRSTHR-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN COc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3F)cs2)c1OC ZINC000012779766 525721395 /nfs/dbraw/zinc/72/13/95/525721395.db2.gz JMERIHXYKYHKFI-UHFFFAOYSA-N 0 0 437.290 4.981 50 0 IJAARN COc1cccc(-c2nc(CN3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)c1OC ZINC000020454336 525723098 /nfs/dbraw/zinc/72/30/98/525723098.db2.gz QYXCDOBBHFCCQK-OAQYLSRUSA-N 0 0 428.554 4.674 50 0 IJAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000012687500 525729483 /nfs/dbraw/zinc/72/94/83/525729483.db2.gz FZOLGFVSSCXJCG-HSZRJFAPSA-N 0 0 443.478 4.941 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000012912135 525731098 /nfs/dbraw/zinc/73/10/98/525731098.db2.gz YEIJASBDZTZPBR-UHFFFAOYSA-N 0 0 427.460 4.588 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)nn2)cc1 ZINC000035398154 525753239 /nfs/dbraw/zinc/75/32/39/525753239.db2.gz MHNVVXOWWGTIIH-INIZCTEOSA-N 0 0 426.442 4.724 50 0 IJAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000023982814 525755666 /nfs/dbraw/zinc/75/56/66/525755666.db2.gz SRKXUTBUIRRJTN-HXUWFJFHSA-N 0 0 447.560 4.668 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(CSc2nc3ccccc3[nH]2)no1 ZINC000033270699 525763919 /nfs/dbraw/zinc/76/39/19/525763919.db2.gz NGYRLLVGJLDVKS-UHFFFAOYSA-N 0 0 427.917 4.771 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000012736417 525767177 /nfs/dbraw/zinc/76/71/77/525767177.db2.gz VJFSWQUZUKTTEN-UHFFFAOYSA-N 0 0 432.307 4.644 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)NCC(=O)Nc3cccc(Cl)c3C)o2)cc1C ZINC000012736426 525767857 /nfs/dbraw/zinc/76/78/57/525767857.db2.gz VMFAHBJSUMBTSE-UHFFFAOYSA-N 0 0 425.916 4.608 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000012825151 525769835 /nfs/dbraw/zinc/76/98/35/525769835.db2.gz BEUJGKYGYFDCDT-IBGZPJMESA-N 0 0 446.547 4.882 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccc(F)c1 ZINC000021869097 525791013 /nfs/dbraw/zinc/79/10/13/525791013.db2.gz GDVUPRUFYSWBTH-MHZLTWQESA-N 0 0 445.538 4.768 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000012778384 525798851 /nfs/dbraw/zinc/79/88/51/525798851.db2.gz HXGBJVNJHBSONC-UHFFFAOYSA-N 0 0 449.454 4.728 50 0 IJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4ccccc4Br)n3n2)cc1 ZINC000020556814 525828426 /nfs/dbraw/zinc/82/84/26/525828426.db2.gz JQHNCDQVQUBZTK-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)o2)cc1 ZINC000012815056 525843446 /nfs/dbraw/zinc/84/34/46/525843446.db2.gz DQNNLMXMSTUEPU-HXUWFJFHSA-N 0 0 433.508 4.503 50 0 IJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000033012669 525871847 /nfs/dbraw/zinc/87/18/47/525871847.db2.gz NJPZKLWQVKXSJK-LJQANCHMSA-N 0 0 438.487 4.704 50 0 IJAARN C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(=O)N(C)Cc1ccccc1 ZINC000069529893 525885675 /nfs/dbraw/zinc/88/56/75/525885675.db2.gz WGHKATBAGNUMBI-NLFFAJNJSA-N 0 0 441.531 4.584 50 0 IJAARN Cc1c([C@@H](C)NC(=O)c2cccc(N3CCOCC3)c2)cnn1-c1cccc2ccccc21 ZINC000012305411 525891306 /nfs/dbraw/zinc/89/13/06/525891306.db2.gz YPCLUDMWFVGJTH-LJQANCHMSA-N 0 0 440.547 4.662 50 0 IJAARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)[C@H](C)Oc4cccc(F)c4)cc3c2=O)cc1 ZINC000022497681 525895356 /nfs/dbraw/zinc/89/53/56/525895356.db2.gz NNYJYHGSDQSIPY-INIZCTEOSA-N 0 0 431.467 4.548 50 0 IJAARN Cc1ccc(-n2c3ccccc3nc2S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012601583 525903695 /nfs/dbraw/zinc/90/36/95/525903695.db2.gz OPTDJFHLNOSYML-INIZCTEOSA-N 0 0 430.533 4.552 50 0 IJAARN COc1cccc(CN(C)C(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1OC ZINC000012520181 525909977 /nfs/dbraw/zinc/90/99/77/525909977.db2.gz SDLXPYFUIMIFFA-UHFFFAOYSA-N 0 0 445.519 4.511 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013583763 534892410 /nfs/dbraw/zinc/89/24/10/534892410.db2.gz QDVPFGNYKUMFKY-UHFFFAOYSA-N 0 0 448.544 4.591 50 0 IJAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1F ZINC000022738204 525939685 /nfs/dbraw/zinc/93/96/85/525939685.db2.gz YVYCNIKOIBGYEI-QMMMGPOBSA-N 0 0 431.288 4.635 50 0 IJAARN Cc1c2cc(Cl)cc(Cl)c2oc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012786613 525950767 /nfs/dbraw/zinc/95/07/67/525950767.db2.gz SKMQLBTZCBLKMX-UHFFFAOYSA-N 0 0 427.309 4.551 50 0 IJAARN C[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)NC(=O)NC1CCCC1 ZINC000016763240 526007366 /nfs/dbraw/zinc/00/73/66/526007366.db2.gz VMKDXMDPFNYHDQ-ZDUSSCGKSA-N 0 0 426.567 4.607 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 ZINC000012774198 526010966 /nfs/dbraw/zinc/01/09/66/526010966.db2.gz NCYQHMBXGBIPMT-AWEZNQCLSA-N 0 0 439.928 4.754 50 0 IJAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4F)cccn3c2=O)nn1-c1ccccc1 ZINC000035911285 526037595 /nfs/dbraw/zinc/03/75/95/526037595.db2.gz JHMYZQMMQOYJHF-UHFFFAOYSA-N 0 0 440.478 4.882 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)C(C)(C)C)cc1 ZINC000036010318 526069818 /nfs/dbraw/zinc/06/98/18/526069818.db2.gz YGQIHVPMDRTWOO-RUZDIDTESA-N 0 0 429.564 4.669 50 0 IJAARN CC(C)Cn1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O ZINC000008595652 534903692 /nfs/dbraw/zinc/90/36/92/534903692.db2.gz IBDNQAXUHUJIHV-UHFFFAOYSA-N 0 0 438.959 4.665 50 0 IJAARN C[C@H](c1ccccc1)N(C)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012859480 526088420 /nfs/dbraw/zinc/08/84/20/526088420.db2.gz ZDKHKWFDEASJMT-QGZVFWFLSA-N 0 0 427.566 4.770 50 0 IJAARN Cc1ccc([S@](C)(=O)=NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)cc1 ZINC000020442669 526094348 /nfs/dbraw/zinc/09/43/48/526094348.db2.gz OXFZDIOXZHHOIQ-NDEPHWFRSA-N 0 0 427.473 4.773 50 0 IJAARN CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021527653 526107565 /nfs/dbraw/zinc/10/75/65/526107565.db2.gz JTDDETOJJJTFSZ-RUZDIDTESA-N 0 0 435.593 4.945 50 0 IJAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 ZINC000012563589 526120467 /nfs/dbraw/zinc/12/04/67/526120467.db2.gz YNEQSPPFHVHREO-UHFFFAOYSA-N 0 0 434.546 4.600 50 0 IJAARN Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)cc(=O)oc2c1C ZINC000009664600 526126556 /nfs/dbraw/zinc/12/65/56/526126556.db2.gz ZGFQFDRJXOZIGO-QFIPXVFZSA-N 0 0 445.302 4.684 50 0 IJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(Cl)cc(OC)cc2OC)c1 ZINC000021104872 526141897 /nfs/dbraw/zinc/14/18/97/526141897.db2.gz OEBDAZCLAXHBIQ-NRFANRHFSA-N 0 0 425.872 4.532 50 0 IJAARN COc1cccc(N2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021808174 526141943 /nfs/dbraw/zinc/14/19/43/526141943.db2.gz LCSFSNFVMLFVRQ-XMMPIXPASA-N 0 0 437.565 4.579 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012772753 526172182 /nfs/dbraw/zinc/17/21/82/526172182.db2.gz NCLWLYZNIMGEJW-UHFFFAOYSA-N 0 0 440.341 4.836 50 0 IJAARN Cc1cc(Br)ccc1SCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012872748 526174944 /nfs/dbraw/zinc/17/49/44/526174944.db2.gz PCVXFHSJTVRJRB-QGZVFWFLSA-N 0 0 437.403 4.786 50 0 IJAARN CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000012544872 526177273 /nfs/dbraw/zinc/17/72/73/526177273.db2.gz KISPGUARQIKEIW-UHFFFAOYSA-N 0 0 440.546 4.664 50 0 IJAARN CSc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000016309360 526177966 /nfs/dbraw/zinc/17/79/66/526177966.db2.gz NTNNKEIRUPHHEZ-UHFFFAOYSA-N 0 0 426.563 4.794 50 0 IJAARN COc1cccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(Cl)cc2)=N3)c1 ZINC000020578198 526186875 /nfs/dbraw/zinc/18/68/75/526186875.db2.gz XXKOYVJOBVVANL-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1OC ZINC000022504918 526195397 /nfs/dbraw/zinc/19/53/97/526195397.db2.gz MSONSGDYAGSZKW-UHFFFAOYSA-N 0 0 431.492 4.941 50 0 IJAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057290234 526197116 /nfs/dbraw/zinc/19/71/16/526197116.db2.gz PFGNSIKMXIANPR-RUZDIDTESA-N 0 0 426.520 4.693 50 0 IJAARN COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000057290233 526199124 /nfs/dbraw/zinc/19/91/24/526199124.db2.gz PFGNSIKMXIANPR-VWLOTQADSA-N 0 0 426.520 4.693 50 0 IJAARN COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4ccc(C)cc4)CC3)c2)c1 ZINC000033073923 526204287 /nfs/dbraw/zinc/20/42/87/526204287.db2.gz JECFAMALYHNOTO-UHFFFAOYSA-N 0 0 444.535 4.506 50 0 IJAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c1 ZINC000021639415 526212876 /nfs/dbraw/zinc/21/28/76/526212876.db2.gz JAUFEEHUBCBQOC-UHFFFAOYSA-N 0 0 431.359 4.611 50 0 IJAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)c1 ZINC000021639349 526213288 /nfs/dbraw/zinc/21/32/88/526213288.db2.gz BBRCWSZDMXFGLX-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(F)ccc3F)c2c1 ZINC000020940097 526232078 /nfs/dbraw/zinc/23/20/78/526232078.db2.gz ZYUNTNGIDGBRSF-UHFFFAOYSA-N 0 0 433.458 4.839 50 0 IJAARN Cc1ccc2nccc(C(=O)N3CCC(CCC(=O)NCc4ccc(F)cc4)CC3)c2c1 ZINC000011933393 526258765 /nfs/dbraw/zinc/25/87/65/526258765.db2.gz RWULAIQAUHZCGM-UHFFFAOYSA-N 0 0 433.527 4.631 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023883044 526324588 /nfs/dbraw/zinc/32/45/88/526324588.db2.gz AKJAZCXHGBYWRA-UHFFFAOYSA-N 0 0 425.532 4.715 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000035450773 526351606 /nfs/dbraw/zinc/35/16/06/526351606.db2.gz WRTZPLCDTMXBNM-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000035454699 526567929 /nfs/dbraw/zinc/56/79/29/526567929.db2.gz XUNMEGMZNMIKQL-GOSISDBHSA-N 0 0 439.625 4.928 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3Br)o2)cs1 ZINC000012904725 526569072 /nfs/dbraw/zinc/56/90/72/526569072.db2.gz AMBNACHHAHRTLQ-UHFFFAOYSA-N 0 0 441.734 4.823 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)Cn3c(=S)[nH]nc3-c3ccc(Cl)cc3)o2)cs1 ZINC000012619694 526569818 /nfs/dbraw/zinc/56/98/18/526569818.db2.gz JZVRLAUJSXTBRO-UHFFFAOYSA-N 0 0 445.957 4.602 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000012406622 526577275 /nfs/dbraw/zinc/57/72/75/526577275.db2.gz JQJHNKKZCQPDGM-UHFFFAOYSA-N 0 0 437.543 4.752 50 0 IJAARN Cc1nc(-c2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)no1 ZINC000033257621 526581602 /nfs/dbraw/zinc/58/16/02/526581602.db2.gz WUOQGBSHTJGSAG-UHFFFAOYSA-N 0 0 438.531 4.592 50 0 IJAARN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012796797 526585188 /nfs/dbraw/zinc/58/51/88/526585188.db2.gz HPNBKDFFZMKGSO-QIRBCQBHSA-N 0 0 440.543 4.545 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1 ZINC000034713324 526601537 /nfs/dbraw/zinc/60/15/37/526601537.db2.gz SLQBMWYOBKQTPR-QGZVFWFLSA-N 0 0 430.476 4.576 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1 ZINC000021114470 526602758 /nfs/dbraw/zinc/60/27/58/526602758.db2.gz XDTZWVLGEPBLNQ-UHFFFAOYSA-N 0 0 430.533 4.693 50 0 IJAARN O=C(CCc1cccnc1)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012022456 526618014 /nfs/dbraw/zinc/61/80/14/526618014.db2.gz SJXLVVHSZFCWEA-GOSISDBHSA-N 0 0 426.438 4.820 50 0 IJAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000012319150 526663818 /nfs/dbraw/zinc/66/38/18/526663818.db2.gz YNVTUWZOMPRCEM-XMMPIXPASA-N 0 0 446.595 4.977 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000012793941 526710336 /nfs/dbraw/zinc/71/03/36/526710336.db2.gz AHUYKURPESSQKT-UHFFFAOYSA-N 0 0 429.488 4.568 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024473612 526711193 /nfs/dbraw/zinc/71/11/93/526711193.db2.gz USEDMNUTZYZOKM-UHFFFAOYSA-N 0 0 437.361 4.592 50 0 IJAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000020776432 526728678 /nfs/dbraw/zinc/72/86/78/526728678.db2.gz KSEKEUWKXHUFRJ-UHFFFAOYSA-N 0 0 427.504 4.868 50 0 IJAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000035768957 526729875 /nfs/dbraw/zinc/72/98/75/526729875.db2.gz CLGHCZFIOSIGEA-UHFFFAOYSA-N 0 0 441.019 4.957 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462146 526741892 /nfs/dbraw/zinc/74/18/92/526741892.db2.gz VDEOAKXYARPZEU-UHFFFAOYSA-N 0 0 429.505 4.673 50 0 biogenic,in-vitro IJAARN O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012550769 526778794 /nfs/dbraw/zinc/77/87/94/526778794.db2.gz JPUDFYNREMBRDC-UHFFFAOYSA-N 0 0 443.894 4.718 50 0 IJAARN O=C(c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023324007 526794587 /nfs/dbraw/zinc/79/45/87/526794587.db2.gz UREHOEALDGKITO-HSZRJFAPSA-N 0 0 435.365 4.997 50 0 IJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712065 526794897 /nfs/dbraw/zinc/79/48/97/526794897.db2.gz XLJSWVYBWUBOLV-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN Cc1occc1-c1nc2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2n1 ZINC000028166526 526796797 /nfs/dbraw/zinc/79/67/97/526796797.db2.gz WZHVJLZEUIOVKE-LICLKQGHSA-N 0 0 443.406 4.546 50 0 IJAARN O=C(c1ccccn1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012774075 526814229 /nfs/dbraw/zinc/81/42/29/526814229.db2.gz LAHMMDAYVFPGGU-INIZCTEOSA-N 0 0 444.354 4.793 50 0 IJAARN O=C(c1ccco1)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796357 526831066 /nfs/dbraw/zinc/83/10/66/526831066.db2.gz NTEODNWODSFLNY-UHFFFAOYSA-N 0 0 449.514 4.643 50 0 IJAARN O=C(NCc1nnc2ccccn21)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000022888668 526836190 /nfs/dbraw/zinc/83/61/90/526836190.db2.gz STCOZNXVHFEVGR-UHFFFAOYSA-N 0 0 432.480 4.592 50 0 IJAARN Cc1nc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012596130 526842667 /nfs/dbraw/zinc/84/26/67/526842667.db2.gz FJXHSXAHEWJTAP-UHFFFAOYSA-N 0 0 432.549 4.724 50 0 IJAARN O=C(N[C@@H](C(=O)NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1)c1cccs1 ZINC000012810146 526853659 /nfs/dbraw/zinc/85/36/59/526853659.db2.gz TWTGEFGOVBBLMB-JOCHJYFZSA-N 0 0 434.492 4.935 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(F)c1)OCc1ccccc1 ZINC000012920263 526863433 /nfs/dbraw/zinc/86/34/33/526863433.db2.gz UTXACMHSEUGEFY-QHCPKHFHSA-N 0 0 431.467 4.783 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000022586746 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Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012112333 527540278 /nfs/dbraw/zinc/54/02/78/527540278.db2.gz JJKBZIZEXKFKKN-QHCPKHFHSA-N 0 0 443.526 4.550 50 0 IJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)sc21 ZINC000020617045 527550343 /nfs/dbraw/zinc/55/03/43/527550343.db2.gz PRIKZGRELYHHCN-UHFFFAOYSA-N 0 0 425.823 4.745 50 0 IJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)sc21 ZINC000020616019 527550490 /nfs/dbraw/zinc/55/04/90/527550490.db2.gz JAIPPGCSJVXJDG-UHFFFAOYSA-N 0 0 439.850 4.804 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)NCc1ccccn1 ZINC000034672409 527564355 /nfs/dbraw/zinc/56/43/55/527564355.db2.gz BCLILOCJXUNETI-UHFFFAOYSA-N 0 0 426.520 4.925 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012091210 527618282 /nfs/dbraw/zinc/61/82/82/527618282.db2.gz CWPKKKBIGWWQCX-DEOSSOPVSA-N 0 0 444.550 4.903 50 0 IJAARN FC(F)(F)c1cnc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)c(Cl)c1 ZINC000012736758 527689073 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/nfs/dbraw/zinc/52/01/25/555520125.db2.gz KIAGHTIUOPFWJK-UHFFFAOYSA-N 0 0 434.315 4.629 50 0 IJAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c2C(=O)OC)C1 ZINC000000650186 555522615 /nfs/dbraw/zinc/52/26/15/555522615.db2.gz NROFGXZMPOHVAU-ZHZWZMEUSA-N 0 0 429.538 4.719 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3n2)cc1OC ZINC000000661389 555526769 /nfs/dbraw/zinc/52/67/69/555526769.db2.gz LAHQLZZJTWYJRM-UHFFFAOYSA-N 0 0 449.488 4.544 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2ccco2)c1 ZINC000000668805 555529881 /nfs/dbraw/zinc/52/98/81/555529881.db2.gz JNYWUUGYNVQABB-SFHVURJKSA-N 0 0 430.245 4.964 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[C@@H](C(C)(C)C)CC2 ZINC000000668462 555529922 /nfs/dbraw/zinc/52/99/22/555529922.db2.gz ATIBYIOEDJAUJT-AWEZNQCLSA-N 0 0 431.554 4.955 50 0 IJAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)c1ccccc1 ZINC000000670114 555530458 /nfs/dbraw/zinc/53/04/58/555530458.db2.gz BBGWKVUFKDYANS-AWEZNQCLSA-N 0 0 433.847 4.569 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)c1ccccc1 ZINC000000670119 555530469 /nfs/dbraw/zinc/53/04/69/555530469.db2.gz VMBKRTFEOCVFOK-CQSZACIVSA-N 0 0 433.847 4.569 50 0 IJAARN O=C(/C=C/c1ccc(F)cc1)NCc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1 ZINC000000671430 555531209 /nfs/dbraw/zinc/53/12/09/555531209.db2.gz DKLBDVUDXSEHDQ-VOMDNODZSA-N 0 0 432.470 4.624 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000000673982 555532490 /nfs/dbraw/zinc/53/24/90/555532490.db2.gz UEJMYYPUMYVQFN-RDTXWAMCSA-N 0 0 434.393 4.949 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000000674605 555533373 /nfs/dbraw/zinc/53/33/73/555533373.db2.gz PKEYIUNAESIYSU-RBUKOAKNSA-N 0 0 448.420 4.621 50 0 IJAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(I)c1 ZINC000000683058 555538447 /nfs/dbraw/zinc/53/84/47/555538447.db2.gz PRAWLFWKWZAUGZ-UHFFFAOYSA-N 0 0 427.241 4.775 50 0 IJAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1F ZINC000000683819 555538976 /nfs/dbraw/zinc/53/89/76/555538976.db2.gz ROCOAVCIMDUCSA-UHFFFAOYSA-N 0 0 427.888 4.858 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 ZINC000000703566 555543901 /nfs/dbraw/zinc/54/39/01/555543901.db2.gz LAEACCJUFXKYHT-DEOSSOPVSA-N 0 0 437.503 4.785 50 0 IJAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000706326 555544683 /nfs/dbraw/zinc/54/46/83/555544683.db2.gz MCBXTRUPYJOWAL-LLVKDONJSA-N 0 0 432.518 4.535 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1c(NC(=O)c2cccc3ccccc32)sc2c1CCCC2 ZINC000000730337 555552882 /nfs/dbraw/zinc/55/28/82/555552882.db2.gz VRARLFGGKLOWAN-QGZVFWFLSA-N 0 0 434.561 4.941 50 0 IJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000812089 555560841 /nfs/dbraw/zinc/56/08/41/555560841.db2.gz YECQJCZHVZNJQA-UHFFFAOYSA-N 0 0 435.263 4.865 50 0 IJAARN CN(c1ccc(C(=O)Nc2ccccc2Br)cc1)S(=O)(=O)c1ccccc1 ZINC000000821201 555563919 /nfs/dbraw/zinc/56/39/19/555563919.db2.gz SSBSLAQCLCECDY-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000000824420 555564499 /nfs/dbraw/zinc/56/44/99/555564499.db2.gz VPVFSLCPZYDQDE-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000839606 555567580 /nfs/dbraw/zinc/56/75/80/555567580.db2.gz WVKVNARPUAXTDN-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN O=C(Nc1cccnc1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000000848592 555570222 /nfs/dbraw/zinc/57/02/22/555570222.db2.gz MPHZQSVSCAIISE-UHFFFAOYSA-N 0 0 435.768 4.855 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865662 555573579 /nfs/dbraw/zinc/57/35/79/555573579.db2.gz AJWKUUPOJWIAIL-VXGBXAGGSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000866525 555574121 /nfs/dbraw/zinc/57/41/21/555574121.db2.gz KXKLLPGYCJYKGF-MLGOLLRUSA-N 0 0 436.415 4.586 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2cccnc2)cc1 ZINC000000877857 555576437 /nfs/dbraw/zinc/57/64/37/555576437.db2.gz XDGRPXRXEANOMV-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2cccnc2)cc1 ZINC000000877865 555576481 /nfs/dbraw/zinc/57/64/81/555576481.db2.gz HIRLMRYGZPXGAX-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000000877550 555576539 /nfs/dbraw/zinc/57/65/39/555576539.db2.gz UOYCCCUFTMNQDA-IBGZPJMESA-N 0 0 433.537 4.711 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000000882026 555577772 /nfs/dbraw/zinc/57/77/72/555577772.db2.gz KUKKMIOGPLIUOH-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)c1 ZINC000000884188 555578745 /nfs/dbraw/zinc/57/87/45/555578745.db2.gz NYAPBWFNFGQALT-DLBZAZTESA-N 0 0 436.459 4.544 50 0 IJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1ccc(F)cc1 ZINC000000885321 555578863 /nfs/dbraw/zinc/57/88/63/555578863.db2.gz YBGPYXVMLITOTR-UHFFFAOYSA-N 0 0 447.457 4.809 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000000890671 555579772 /nfs/dbraw/zinc/57/97/72/555579772.db2.gz KDTBLOMYYDYDER-UHFFFAOYSA-N 0 0 447.482 4.622 50 0 biogenic IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000000904271 555581703 /nfs/dbraw/zinc/58/17/03/555581703.db2.gz YVVLLGYKZODYNT-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC3CCCC3)n2)cc1 ZINC000000920452 555584320 /nfs/dbraw/zinc/58/43/20/555584320.db2.gz GQXCICPZGIGRAI-UHFFFAOYSA-N 0 0 425.476 4.712 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941947 555586958 /nfs/dbraw/zinc/58/69/58/555586958.db2.gz IAHCKZWIQKYZES-FQEVSTJZSA-N 0 0 439.298 4.839 50 0 IJAARN COc1ccc(-c2csc3ncn(Cc4ccc(Br)cc4)c(=O)c23)cc1 ZINC000000951914 555589321 /nfs/dbraw/zinc/58/93/21/555589321.db2.gz JXPYMSTXCKVFSG-UHFFFAOYSA-N 0 0 427.323 4.944 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 ZINC000000954624 555589792 /nfs/dbraw/zinc/58/97/92/555589792.db2.gz PSHXAKYCMUSLGT-IBGZPJMESA-N 0 0 448.588 4.870 50 0 IJAARN O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000955528 555589988 /nfs/dbraw/zinc/58/99/88/555589988.db2.gz GQWCRDXPGOFCLF-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN CCCc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)s1 ZINC000000959328 555590905 /nfs/dbraw/zinc/59/09/05/555590905.db2.gz HXKFSBBCUWFGPA-UHFFFAOYSA-N 0 0 432.343 4.938 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000986432 555595033 /nfs/dbraw/zinc/59/50/33/555595033.db2.gz IPONNFLZKWRNDR-UHFFFAOYSA-N 0 0 439.375 4.512 50 0 IJAARN COc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4cccs4)n3n2)cc1 ZINC000000988012 555595331 /nfs/dbraw/zinc/59/53/31/555595331.db2.gz WWSQPJHQUJPEDK-UHFFFAOYSA-N 0 0 447.541 4.966 50 0 IJAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000000993262 555597442 /nfs/dbraw/zinc/59/74/42/555597442.db2.gz JDRITSWHWGBZOI-LBPRGKRZSA-N 0 0 426.822 4.749 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000001020001 555603428 /nfs/dbraw/zinc/60/34/28/555603428.db2.gz SIBUUSLNMNBGSH-HXUWFJFHSA-N 0 0 448.500 4.633 50 0 IJAARN COc1c(Cl)cc(Br)c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C ZINC000001031379 555605936 /nfs/dbraw/zinc/60/59/36/555605936.db2.gz QEYNNLHNGUKILA-UHFFFAOYSA-N 0 0 441.709 4.698 50 0 IJAARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000001033472 555606710 /nfs/dbraw/zinc/60/67/10/555606710.db2.gz NBEFPMGDZWNSSG-UHFFFAOYSA-N 0 0 449.937 4.566 50 0 IJAARN O=C(Cn1c2sc(-c3ccccc3)cc2c(=O)n(-c2ccccc2)c1=O)c1cccs1 ZINC000001036427 555608481 /nfs/dbraw/zinc/60/84/81/555608481.db2.gz UQHWLHYXKUCLDU-UHFFFAOYSA-N 0 0 444.537 4.825 50 0 IJAARN CSc1sc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)c2c1C=CCC2 ZINC000001038416 555609143 /nfs/dbraw/zinc/60/91/43/555609143.db2.gz JYJHZPMIFAOAFI-UHFFFAOYSA-N 0 0 428.608 4.956 50 0 IJAARN Cc1cc(Br)c(NC(=S)NC(=O)c2ccccc2)c(Br)c1 ZINC000001045959 555610829 /nfs/dbraw/zinc/61/08/29/555610829.db2.gz DOWZDJXGKXZTIZ-UHFFFAOYSA-N 0 0 428.149 4.647 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CCc1ccccc1-2 ZINC000001055874 555614472 /nfs/dbraw/zinc/61/44/72/555614472.db2.gz BCWSEHAYFPRWKY-UHFFFAOYSA-N 0 0 429.501 4.828 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000001056789 555614559 /nfs/dbraw/zinc/61/45/59/555614559.db2.gz QVELRJUQUGHVPL-UHFFFAOYSA-N 0 0 440.590 4.628 50 0 IJAARN CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000001055758 555614611 /nfs/dbraw/zinc/61/46/11/555614611.db2.gz HYFCFFRFSCUWHU-UHFFFAOYSA-N 0 0 435.549 4.603 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccs1 ZINC000001069653 555620632 /nfs/dbraw/zinc/62/06/32/555620632.db2.gz UZTSLYRIOKHKBZ-UHFFFAOYSA-N 0 0 431.970 4.678 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1 ZINC000001073353 555622485 /nfs/dbraw/zinc/62/24/85/555622485.db2.gz QFYSMWSGLTUGRL-UHFFFAOYSA-N 0 0 440.455 4.978 50 0 IJAARN Cc1sc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc32)c(C(N)=O)c1C ZINC000001073723 555622851 /nfs/dbraw/zinc/62/28/51/555622851.db2.gz APWUAMPAFYRKFY-UHFFFAOYSA-N 0 0 436.924 4.980 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000001092962 555627503 /nfs/dbraw/zinc/62/75/03/555627503.db2.gz QEOSHMVYQJDVCF-AYQSDIEASA-N 0 0 443.502 4.980 50 0 IJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)cc1 ZINC000001094704 555627769 /nfs/dbraw/zinc/62/77/69/555627769.db2.gz FWDMGLNWRABKQR-UHFFFAOYSA-N 0 0 430.508 4.762 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 ZINC000001111518 555631992 /nfs/dbraw/zinc/63/19/92/555631992.db2.gz LWWVFFVOEWYIGH-UHFFFAOYSA-N 0 0 441.911 4.539 50 0 IJAARN Cc1ccnc(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)n1 ZINC000001111641 555632016 /nfs/dbraw/zinc/63/20/16/555632016.db2.gz IBQUPGSMNRZQFX-UHFFFAOYSA-N 0 0 438.578 4.708 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)cc1 ZINC000001112159 555632447 /nfs/dbraw/zinc/63/24/47/555632447.db2.gz ICAOCGZYUFQWMF-UHFFFAOYSA-N 0 0 441.487 4.977 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)N1CCCC1 ZINC000001116075 555634471 /nfs/dbraw/zinc/63/44/71/555634471.db2.gz JLFUZORBDUPSCF-UHFFFAOYSA-N 0 0 431.970 4.917 50 0 IJAARN COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(Cl)c1Cl ZINC000001117859 555635556 /nfs/dbraw/zinc/63/55/56/555635556.db2.gz YUZPOTMBYNULDC-UHFFFAOYSA-N 0 0 436.266 4.850 50 0 IJAARN CSc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001118654 555636153 /nfs/dbraw/zinc/63/61/53/555636153.db2.gz KYHNYPWDXGFJMU-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN CC(C)Oc1ccccc1NC(=O)c1ccccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000001124068 555639427 /nfs/dbraw/zinc/63/94/27/555639427.db2.gz BOLLPHXZSSIMNS-IBGZPJMESA-N 0 0 432.520 4.982 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(C3CC3)cc(C(F)(F)F)c2c1N ZINC000001125885 555640745 /nfs/dbraw/zinc/64/07/45/555640745.db2.gz BHVMSBAZOVYEPO-UHFFFAOYSA-N 0 0 435.427 4.814 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001131885 555645071 /nfs/dbraw/zinc/64/50/71/555645071.db2.gz PSXFNYJVQSIDEK-LJQANCHMSA-N 0 0 438.549 4.889 50 0 IJAARN Cc1ccc(CN(c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000001137218 555647526 /nfs/dbraw/zinc/64/75/26/555647526.db2.gz ORAZZTYNWCNRSQ-UHFFFAOYSA-N 0 0 442.968 4.545 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000001137485 555647723 /nfs/dbraw/zinc/64/77/23/555647723.db2.gz JZVDBDBROLNKOL-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN O=C(C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000001139183 555648785 /nfs/dbraw/zinc/64/87/85/555648785.db2.gz LAHMVPGEEFRDML-MUUNZHRXSA-N 0 0 425.528 4.615 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccc(C)c2C)cc1 ZINC000001140725 555649719 /nfs/dbraw/zinc/64/97/19/555649719.db2.gz BNNIIKBYATWRIM-UHFFFAOYSA-N 0 0 431.492 4.532 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccncc1 ZINC000001143673 555651809 /nfs/dbraw/zinc/65/18/09/555651809.db2.gz BDCMZJVPCSAJHK-UHFFFAOYSA-N 0 0 435.475 4.746 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)N1CCCCC1 ZINC000001144640 555652375 /nfs/dbraw/zinc/65/23/75/555652375.db2.gz FDZUQYHLBWUJIH-UHFFFAOYSA-N 0 0 445.654 4.947 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NCc1ccccc1 ZINC000001145363 555652970 /nfs/dbraw/zinc/65/29/70/555652970.db2.gz UFGANYXRYHTVCQ-UHFFFAOYSA-N 0 0 448.979 4.920 50 0 IJAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000001147114 555654110 /nfs/dbraw/zinc/65/41/10/555654110.db2.gz KPKBOJSPSLKAKH-CXUHLZMHSA-N 0 0 426.582 4.811 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1C ZINC000001147509 555654292 /nfs/dbraw/zinc/65/42/92/555654292.db2.gz QRTPHFABRUVZPX-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001147781 555654371 /nfs/dbraw/zinc/65/43/71/555654371.db2.gz VZRANQWCTXAOHD-UHFFFAOYSA-N 0 0 431.561 4.926 50 0 aggregator IJAARN Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001155036 555658422 /nfs/dbraw/zinc/65/84/22/555658422.db2.gz KIGSOIVKDSLFKQ-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000001156685 555659269 /nfs/dbraw/zinc/65/92/69/555659269.db2.gz XEBILRHRRRTBQP-INIZCTEOSA-N 0 0 428.291 4.703 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001157498 555659853 /nfs/dbraw/zinc/65/98/53/555659853.db2.gz XYQUDSJKIUXHJQ-UHFFFAOYSA-N 0 0 434.989 4.919 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000001165246 555663538 /nfs/dbraw/zinc/66/35/38/555663538.db2.gz WPCOHNMDZZKDSD-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2F)c1)c1cc2ccccc2o1 ZINC000001165421 555663865 /nfs/dbraw/zinc/66/38/65/555663865.db2.gz AMNPNSFJVUBMBG-UHFFFAOYSA-N 0 0 433.464 4.951 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001173980 555668599 /nfs/dbraw/zinc/66/85/99/555668599.db2.gz ZNTFHONORFWQSG-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 ZINC000001175666 555669507 /nfs/dbraw/zinc/66/95/07/555669507.db2.gz YPPGHEIHPSWNNE-UHFFFAOYSA-N 0 0 430.460 4.970 50 0 IJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Br)o1 ZINC000001176155 555669706 /nfs/dbraw/zinc/66/97/06/555669706.db2.gz GFCJNNLLXYILLX-UHFFFAOYSA-N 0 0 431.677 4.990 50 0 IJAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 ZINC000001179922 555671213 /nfs/dbraw/zinc/67/12/13/555671213.db2.gz RDVPNZYNKODALC-UHFFFAOYSA-N 0 0 427.529 4.961 50 0 IJAARN COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000001180848 555671684 /nfs/dbraw/zinc/67/16/84/555671684.db2.gz YPWZZPDMYMJDRO-MFOYZWKCSA-N 0 0 434.311 4.703 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000001188326 555674988 /nfs/dbraw/zinc/67/49/88/555674988.db2.gz OXLWWHVKNYFKOR-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Br)cc1Cl ZINC000001188475 555675166 /nfs/dbraw/zinc/67/51/66/555675166.db2.gz MZRZQUILUWSGMT-KRWDZBQOSA-N 0 0 434.721 4.678 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc(Br)c2)NC(=S)N1 ZINC000001189586 555675572 /nfs/dbraw/zinc/67/55/72/555675572.db2.gz NHSJJEDHKBVWTB-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(Br)c1OC ZINC000001193236 555676099 /nfs/dbraw/zinc/67/60/99/555676099.db2.gz CKAMTSIXELBARU-ZDLGFXPLSA-N 0 0 438.277 4.964 50 0 IJAARN CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001204987 555680014 /nfs/dbraw/zinc/68/00/14/555680014.db2.gz IEWUAAMPTKNNRQ-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000001206535 555680601 /nfs/dbraw/zinc/68/06/01/555680601.db2.gz HCBKCKFZQRVIMD-UHFFFAOYSA-N 0 0 441.260 4.583 50 0 IJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000001209704 555681964 /nfs/dbraw/zinc/68/19/64/555681964.db2.gz GXUCMTIRGZRBHX-UHFFFAOYSA-N 0 0 438.281 4.978 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000001214141 555683401 /nfs/dbraw/zinc/68/34/01/555683401.db2.gz XELMLWONEGVQNO-LSDHHAIUSA-N 0 0 435.837 4.522 50 0 IJAARN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000001220396 555685712 /nfs/dbraw/zinc/68/57/12/555685712.db2.gz TWYQZLNZPYSJNE-UHFFFAOYSA-N 0 0 434.492 4.813 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000001246500 555687506 /nfs/dbraw/zinc/68/75/06/555687506.db2.gz VFZMKOOCCOGOOY-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 ZINC000001303418 555689702 /nfs/dbraw/zinc/68/97/02/555689702.db2.gz ANNUNIGXBPVXJR-UHFFFAOYSA-N 0 0 446.528 4.768 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1cccc(O)c1 ZINC000001459539 555700316 /nfs/dbraw/zinc/70/03/16/555700316.db2.gz AZMQGZQODRMKLD-UHFFFAOYSA-N 0 0 441.911 4.539 50 0 IJAARN COC(=O)c1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001819752 555718786 /nfs/dbraw/zinc/71/87/86/555718786.db2.gz YDORFUMYMGJBSY-UHFFFAOYSA-N 0 0 448.906 4.973 50 0 IJAARN CCCOc1c(Br)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC ZINC000002081680 555738371 /nfs/dbraw/zinc/73/83/71/555738371.db2.gz APOZKVMSYPSNKZ-YBEGLDIGSA-N 0 0 434.261 4.730 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c(C)c1 ZINC000002146168 555749121 /nfs/dbraw/zinc/74/91/21/555749121.db2.gz BMSUPYSRBIDDFB-UHFFFAOYSA-N 0 0 436.368 4.622 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(C)cc1C ZINC000002184822 555754841 /nfs/dbraw/zinc/75/48/41/555754841.db2.gz XGRUPNFIVAZXJD-UHFFFAOYSA-N 0 0 443.521 4.667 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000002198661 555757217 /nfs/dbraw/zinc/75/72/17/555757217.db2.gz HTKVFMQOGZXWSV-HZHRSRAPSA-N 0 0 429.545 4.668 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1 ZINC000002237556 555761153 /nfs/dbraw/zinc/76/11/53/555761153.db2.gz LREVPRBETNCKLM-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)cc1OC ZINC000002238498 555761166 /nfs/dbraw/zinc/76/11/66/555761166.db2.gz DGQAUSHMFUXZGF-XZOQPEGZSA-N 0 0 444.516 4.570 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccccc1 ZINC000002241085 555761420 /nfs/dbraw/zinc/76/14/20/555761420.db2.gz GJTIBNLHYKOPLE-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1cccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000002257197 555763138 /nfs/dbraw/zinc/76/31/38/555763138.db2.gz HNWOILIGYWMEIQ-UHFFFAOYSA-N 0 0 443.805 4.512 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1C ZINC000002365167 555772372 /nfs/dbraw/zinc/77/23/72/555772372.db2.gz GZALUGOYOPFASP-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccco4)n3C)ccc21 ZINC000002370638 555772950 /nfs/dbraw/zinc/77/29/50/555772950.db2.gz PIXUXBUPYMBEPZ-UHFFFAOYSA-N 0 0 431.521 4.934 50 0 IJAARN COc1ccc(CCNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002396403 555775536 /nfs/dbraw/zinc/77/55/36/555775536.db2.gz MWDVOTUHIZKGLK-UHFFFAOYSA-N 0 0 443.551 4.653 50 0 IJAARN O=c1nc2nc(SCc3cccc4ccccc43)[nH]cc-2c(=O)n1-c1ccc(Cl)cc1 ZINC000002437448 555779072 /nfs/dbraw/zinc/77/90/72/555779072.db2.gz ZOKIEWVJVMZJAZ-UHFFFAOYSA-N 0 0 446.919 4.568 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000002450452 555781508 /nfs/dbraw/zinc/78/15/08/555781508.db2.gz MNYQCFZDAOVDFY-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 ZINC000002451747 555781688 /nfs/dbraw/zinc/78/16/88/555781688.db2.gz MYNXSCIWUKTGHG-UHFFFAOYSA-N 0 0 426.586 4.844 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1 ZINC000002454089 555782593 /nfs/dbraw/zinc/78/25/93/555782593.db2.gz KRTUEDUENPYISS-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN Cc1c(C)c(Cc2cc(Cc3[nH]c(C=O)c(C)c3C)n(Cc3ccccc3)n2)[nH]c1C=O ZINC000002519571 555785523 /nfs/dbraw/zinc/78/55/23/555785523.db2.gz GLXHTJAESLKTDY-UHFFFAOYSA-N 0 0 428.536 4.628 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000002533835 555786319 /nfs/dbraw/zinc/78/63/19/555786319.db2.gz KTTFMZVIIRHKMK-PDGQHHTCSA-N 0 0 446.359 4.851 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034679053 555798450 /nfs/dbraw/zinc/79/84/50/555798450.db2.gz BGHINFJHCGYCSJ-UHFFFAOYSA-N 0 0 428.536 4.766 50 0 IJAARN O=C(CSc1nnc(NC(=O)C2C3CC4CC(C3)CC2C4)s1)c1ccc(F)cc1 ZINC000002684125 555798485 /nfs/dbraw/zinc/79/84/85/555798485.db2.gz HHSMFXPROCNMAL-UHFFFAOYSA-N 0 0 431.558 4.663 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NCc1cccnc1 ZINC000034686503 555801509 /nfs/dbraw/zinc/80/15/09/555801509.db2.gz SUOMBOAWLWATQZ-UHFFFAOYSA-N 0 0 441.556 4.849 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)F)cc1C(F)F)CCCC2 ZINC000002785348 555820655 /nfs/dbraw/zinc/82/06/55/555820655.db2.gz GNGJWIUHLGNSDJ-UHFFFAOYSA-N 0 0 433.427 4.514 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708169 555822467 /nfs/dbraw/zinc/82/24/67/555822467.db2.gz OCCAZVLLJDWBTD-HHHXNRCGSA-N 0 0 442.559 4.688 50 0 IJAARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccccc1OCc1ccccc1 ZINC000002797000 555822838 /nfs/dbraw/zinc/82/28/38/555822838.db2.gz ZOSJMCRDHYFXOE-UHFFFAOYSA-N 0 0 449.547 4.967 50 0 IJAARN CCc1ccc([C@@H]2C[C@H](C(=O)NCc3ccco3)CN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034709146 555823448 /nfs/dbraw/zinc/82/34/48/555823448.db2.gz UKRMCUSOZPAQLY-YADHBBJMSA-N 0 0 434.511 4.543 50 0 IJAARN COc1ccc(C(=O)N2C[C@H](C(=O)N(C)Cc3ccccc3)C[C@@H](c3ccccc3)C2)cc1 ZINC000034709580 555823767 /nfs/dbraw/zinc/82/37/67/555823767.db2.gz RWYBFTBFBVJJOE-JWQCQUIFSA-N 0 0 442.559 4.600 50 0 IJAARN CCCCOC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000002799579 555823835 /nfs/dbraw/zinc/82/38/35/555823835.db2.gz PSFNCFLRNXVTOF-UHFFFAOYSA-N 0 0 428.432 4.717 50 0 IJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2)n1 ZINC000034712091 555825504 /nfs/dbraw/zinc/82/55/04/555825504.db2.gz FGDCOCZNUQBHHP-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1 ZINC000034714235 555830730 /nfs/dbraw/zinc/83/07/30/555830730.db2.gz PLDLCRKWFSVRFL-HNNXBMFYSA-N 0 0 430.476 4.576 50 0 IJAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000002827361 555831517 /nfs/dbraw/zinc/83/15/17/555831517.db2.gz GNSLIFNHIWURTI-UHFFFAOYSA-N 0 0 434.359 4.705 50 0 IJAARN CCCCNS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000002833447 555832298 /nfs/dbraw/zinc/83/22/98/555832298.db2.gz UAYWAOYDBADJGZ-UHFFFAOYSA-N 0 0 436.533 4.641 50 0 IJAARN O=S(=O)(c1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(F)cc1 ZINC000002851256 555839556 /nfs/dbraw/zinc/83/95/56/555839556.db2.gz YHKOINTZSWBOHJ-UHFFFAOYSA-N 0 0 442.903 4.587 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)N(C)Cc1c(C)nn(C)c1C)CCCCCC2 ZINC000002856158 555841651 /nfs/dbraw/zinc/84/16/51/555841651.db2.gz ZQGVHWFHQLPKBN-UHFFFAOYSA-N 0 0 448.658 4.763 50 0 IJAARN CCOC(=O)c1c(NC(=S)N[C@@H](C)c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000002858779 555843311 /nfs/dbraw/zinc/84/33/11/555843311.db2.gz UGLNRSBERQPRSV-ZDUSSCGKSA-N 0 0 446.594 4.970 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1C ZINC000002870776 555849683 /nfs/dbraw/zinc/84/96/83/555849683.db2.gz GVTWGHFBVXHAPK-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)c1 ZINC000002875606 555851996 /nfs/dbraw/zinc/85/19/96/555851996.db2.gz SFGAZTMBZNMMPT-DOTOQJQBSA-N 0 0 436.459 4.544 50 0 IJAARN COC(=O)c1c(C)c(C(=O)N[C@H](C)c2ccccc2)sc1NC(=O)c1ccccc1F ZINC000002881003 555855176 /nfs/dbraw/zinc/85/51/76/555855176.db2.gz WPCOCMQWMQKRCK-CQSZACIVSA-N 0 0 440.496 4.726 50 0 IJAARN CCCCNC(=O)N1C[C@@H](c2ccc(F)c(C)c2)C[C@H](C(=O)Nc2ccc(OC)cc2)C1 ZINC000034716369 555865722 /nfs/dbraw/zinc/86/57/22/555865722.db2.gz UJZKTZPAQRBUCU-PMACEKPBSA-N 0 0 441.547 4.697 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Br ZINC000002978910 555870935 /nfs/dbraw/zinc/87/09/35/555870935.db2.gz RGYJPTKXXHLWMJ-UHFFFAOYSA-N 0 0 433.249 4.603 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000002987797 555874265 /nfs/dbraw/zinc/87/42/65/555874265.db2.gz UNUWBXRNIVLWCX-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)nc1C ZINC000002997406 555876337 /nfs/dbraw/zinc/87/63/37/555876337.db2.gz CSLMNVIQLXZUQU-UHFFFAOYSA-N 0 0 435.299 4.903 50 0 IJAARN O=C(NCCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000002999164 555877274 /nfs/dbraw/zinc/87/72/74/555877274.db2.gz VTEJCFGSESZJHL-JWGURIENSA-N 0 0 449.348 4.579 50 0 IJAARN COc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2=O)cc1 ZINC000034735460 555885515 /nfs/dbraw/zinc/88/55/15/555885515.db2.gz IKPRUDHNLMMMCD-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 ZINC000034737638 555888526 /nfs/dbraw/zinc/88/85/26/555888526.db2.gz WVZMXPAVCACBBU-UHFFFAOYSA-N 0 0 449.576 4.937 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Cl)cc1)C(F)(F)F ZINC000003138671 555891446 /nfs/dbraw/zinc/89/14/46/555891446.db2.gz OTZHEGSEMXJUIX-KRWDZBQOSA-N 0 0 435.229 4.657 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003142358 555891732 /nfs/dbraw/zinc/89/17/32/555891732.db2.gz LXIZSCYFRGZRIS-CQSZACIVSA-N 0 0 437.179 4.753 50 0 IJAARN COc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000034739689 555892017 /nfs/dbraw/zinc/89/20/17/555892017.db2.gz KTCYIRBNGQPKQL-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN CC(C)c1cc(=O)n(CC2CCC2)c2cc(OCC(=O)NCCc3ccccc3)ccc12 ZINC000034836298 555914200 /nfs/dbraw/zinc/91/42/00/555914200.db2.gz OMZJPQKRSLEBGR-UHFFFAOYSA-N 0 0 432.564 4.663 50 0 IJAARN O=C(NC1CCCCC1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916923 555930555 /nfs/dbraw/zinc/93/05/55/555930555.db2.gz SZWYOUYMMCNGQU-ZDUSSCGKSA-N 0 0 436.396 4.522 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1 ZINC000003631780 555942055 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CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)CC1 ZINC000003008520 556154899 /nfs/dbraw/zinc/15/48/99/556154899.db2.gz WQLZKYIFGVUNSN-UHFFFAOYSA-N 0 0 429.586 4.544 50 0 IJAARN C[C@@H](COc1ccccc1)COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000008426265 556168800 /nfs/dbraw/zinc/16/88/00/556168800.db2.gz ULNKMOKKYYFWLS-XHFXOGKZSA-N 0 0 442.540 4.551 50 0 IJAARN CCCOc1c(I)cc(C(=O)Nc2ccccc2)cc1OCC ZINC000008430666 556170538 /nfs/dbraw/zinc/17/05/38/556170538.db2.gz DONKMFZSLLFDGJ-UHFFFAOYSA-N 0 0 425.266 4.731 50 0 IJAARN CCn1c(SCc2ccc(C(=O)Nc3nccs3)cc2)nnc1-c1ccc(N)cc1 ZINC000008438424 556174267 /nfs/dbraw/zinc/17/42/67/556174267.db2.gz ZODRKRADUIQWQU-UHFFFAOYSA-N 0 0 436.566 4.548 50 0 IJAARN COc1c(Br)cc(Br)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000008438145 556174348 /nfs/dbraw/zinc/17/43/48/556174348.db2.gz NRKQKSKGPAONEU-UHFFFAOYSA-N 0 0 443.179 4.919 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1Br ZINC000008440849 556176468 /nfs/dbraw/zinc/17/64/68/556176468.db2.gz KRPCOWBKDRFQCD-UHFFFAOYSA-N 0 0 447.310 4.605 50 0 IJAARN CCC[C@H](C(=O)n1nc(C)cc1C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000008442240 556177141 /nfs/dbraw/zinc/17/71/41/556177141.db2.gz XVDOZMYITBYVON-GOTSBHOMSA-N 0 0 439.581 4.585 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003062930 556187111 /nfs/dbraw/zinc/18/71/11/556187111.db2.gz LZKZQEPVGVYEPX-LQDNNDEMSA-N 0 0 444.328 4.585 50 0 IJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCN3CC1 ZINC000008590769 556188979 /nfs/dbraw/zinc/18/89/79/556188979.db2.gz HCIUROXHCABSQQ-UHFFFAOYSA-N 0 0 434.443 4.727 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000008594815 556189937 /nfs/dbraw/zinc/18/99/37/556189937.db2.gz VHTMUPVJMXSUKF-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1CCC1=CCCCC1)Nc1ccc(F)cc1 ZINC000008599638 556191007 /nfs/dbraw/zinc/19/10/07/556191007.db2.gz UYGBEHJXMUMSLI-QFIPXVFZSA-N 0 0 435.499 4.882 50 0 IJAARN COc1ccc(CCNc2nc3ccccc3c3nc(-c4cccc(C)c4)nn32)cc1OC ZINC000008604753 556191629 /nfs/dbraw/zinc/19/16/29/556191629.db2.gz ZIJMBJGUVVFCEP-UHFFFAOYSA-N 0 0 439.519 4.925 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008667652 556198262 /nfs/dbraw/zinc/19/82/62/556198262.db2.gz RICWSWDTYPSAFS-OAHLLOKOSA-N 0 0 443.613 4.660 50 0 IJAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000008680975 556199259 /nfs/dbraw/zinc/19/92/59/556199259.db2.gz KZWMRQRADHSHEK-UHFFFAOYSA-N 0 0 435.542 4.936 50 0 IJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008723177 556203719 /nfs/dbraw/zinc/20/37/19/556203719.db2.gz VMQLNVNSZFCKHK-INIZCTEOSA-N 0 0 440.721 4.678 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccoc4C)o3)n2)cc1 ZINC000008738494 556205072 /nfs/dbraw/zinc/20/50/72/556205072.db2.gz OCNSCIFTMNRAMZ-UHFFFAOYSA-N 0 0 428.495 4.501 50 0 IJAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nn12 ZINC000008832405 556225351 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PNTXWNUXXXUDNC-UXHICEINSA-N 0 0 441.988 4.763 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(F)c(Cl)c1 ZINC000009225559 556259187 /nfs/dbraw/zinc/25/91/87/556259187.db2.gz GQARUXQNBPPNPI-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(F)c3)C2=O)cc1 ZINC000009225577 556259280 /nfs/dbraw/zinc/25/92/80/556259280.db2.gz GKUPVOFUHMGLMT-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN O=C1CS[C@]2(c3ccccc3N(Cc3cccc(F)c3)C2=O)N1c1ccc(F)c(F)c1 ZINC000009225762 556259759 /nfs/dbraw/zinc/25/97/59/556259759.db2.gz FLCXWTPAMLOILW-QHCPKHFHSA-N 0 0 440.446 4.584 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(F)c3)C2=O)c1 ZINC000009225835 556260142 /nfs/dbraw/zinc/26/01/42/556260142.db2.gz XRWJIZHRHJZLFD-VWLOTQADSA-N 0 0 448.519 4.622 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000009232067 556261270 /nfs/dbraw/zinc/26/12/70/556261270.db2.gz QPQWKFRPOXJQTF-PMACEKPBSA-N 0 0 434.609 4.934 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2Cc2ccco2)c1 ZINC000009309374 556278567 /nfs/dbraw/zinc/27/85/67/556278567.db2.gz PZJKKNYJKAJTKO-UHFFFAOYSA-N 0 0 447.564 4.692 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3Cl)c2c1 ZINC000009319912 556280655 /nfs/dbraw/zinc/28/06/55/556280655.db2.gz UNXLSPQGLSTZGH-UHFFFAOYSA-N 0 0 447.922 4.914 50 0 IJAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1Cc1ccco1 ZINC000013692496 556282033 /nfs/dbraw/zinc/28/20/33/556282033.db2.gz KGMDUPURVHILEI-UHFFFAOYSA-N 0 0 432.517 4.847 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000009379875 556286805 /nfs/dbraw/zinc/28/68/05/556286805.db2.gz HWHTUVTUZCLXEG-QHCPKHFHSA-N 0 0 444.535 4.656 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 ZINC000009424416 556289661 /nfs/dbraw/zinc/28/96/61/556289661.db2.gz VIMXBGRPRYCEGT-UHFFFAOYSA-N 0 0 433.537 4.836 50 0 IJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013720533 556289776 /nfs/dbraw/zinc/28/97/76/556289776.db2.gz QVGNWBMEMQAXCN-UHFFFAOYSA-N 0 0 444.362 4.782 50 0 IJAARN CC(C)(C)c1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009425790 556289835 /nfs/dbraw/zinc/28/98/35/556289835.db2.gz GZKMVIVAEWBQFI-HSZRJFAPSA-N 0 0 427.500 4.797 50 0 IJAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009431053 556291293 /nfs/dbraw/zinc/29/12/93/556291293.db2.gz CLBRMAAEXQKLAW-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COCc1cc(-c2cccs2)on1 ZINC000009436407 556291809 /nfs/dbraw/zinc/29/18/09/556291809.db2.gz UBJFCQRIOKQRMH-UHFFFAOYSA-N 0 0 440.500 4.559 50 0 IJAARN COC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013724535 556292201 /nfs/dbraw/zinc/29/22/01/556292201.db2.gz URGPYAPIWDPUNX-AWEZNQCLSA-N 0 0 437.275 4.616 50 0 IJAARN CC1(C)Cc2c(sc3c2c2nc(-c4cccs4)nn2c(=O)n3Cc2ccccc2)CO1 ZINC000013731146 556295695 /nfs/dbraw/zinc/29/56/95/556295695.db2.gz BBMHLPASSNCNQN-UHFFFAOYSA-N 0 0 448.573 4.734 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013750537 556299051 /nfs/dbraw/zinc/29/90/51/556299051.db2.gz ONZFYUUHYUIROT-SFHVURJKSA-N 0 0 431.941 4.533 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3c(F)cc(F)cc3Br)no2)cc1OC ZINC000009597853 556301986 /nfs/dbraw/zinc/30/19/86/556301986.db2.gz FKIPXYQXJMDHES-UHFFFAOYSA-N 0 0 439.212 4.652 50 0 IJAARN COc1ccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccco2)cc1Cl ZINC000009678237 556305874 /nfs/dbraw/zinc/30/58/74/556305874.db2.gz QEJCAPHTJLSCKU-UHFFFAOYSA-N 0 0 432.867 4.802 50 0 IJAARN Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(S(N)(=O)=O)cc1)C(C)(C)N2 ZINC000004468543 556309858 /nfs/dbraw/zinc/30/98/58/556309858.db2.gz UJFSCPCAPFLCAO-QOCHGBHMSA-N 0 0 431.608 4.634 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2ncnc2N1 ZINC000009905432 556316012 /nfs/dbraw/zinc/31/60/12/556316012.db2.gz PQHBLMXSDCKWRR-XMMPIXPASA-N 0 0 437.503 4.785 50 0 IJAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000009934076 556317833 /nfs/dbraw/zinc/31/78/33/556317833.db2.gz CCKWWVURKUMZQT-HSZRJFAPSA-N 0 0 440.971 4.715 50 0 IJAARN CCCc1ccc([C@H](NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c2cccs2)cc1 ZINC000032759782 556320097 /nfs/dbraw/zinc/32/00/97/556320097.db2.gz WKPBAFASBJUPLX-QFIPXVFZSA-N 0 0 442.606 4.900 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032753162 556322076 /nfs/dbraw/zinc/32/20/76/556322076.db2.gz KDQWIGPJMBUGBA-UHFFFAOYSA-N 0 0 427.479 4.574 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc(OCC)c1OCC ZINC000010038213 556323081 /nfs/dbraw/zinc/32/30/81/556323081.db2.gz RQAIRSKVJAQQNA-UHFFFAOYSA-N 0 0 444.528 4.738 50 0 IJAARN Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c(Br)c1 ZINC000013882230 556326556 /nfs/dbraw/zinc/32/65/56/556326556.db2.gz HTJJJBCXHAHSGQ-LWYUSKRHSA-N 0 0 449.780 4.937 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2cccc(Cl)c2C)cc1 ZINC000013899092 556330913 /nfs/dbraw/zinc/33/09/13/556330913.db2.gz IOPIQQVKFAYSBB-UHFFFAOYSA-N 0 0 449.016 4.991 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)c4cn(C)c5ccccc45)n3C)oc21 ZINC000010561698 556336844 /nfs/dbraw/zinc/33/68/44/556336844.db2.gz WEZLGMDEENARNR-UHFFFAOYSA-N 0 0 432.505 4.704 50 0 IJAARN COc1ccc(NC2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)cc1Cl ZINC000010824023 556337925 /nfs/dbraw/zinc/33/79/25/556337925.db2.gz NVSUPLFOOQVWEC-UHFFFAOYSA-N 0 0 440.908 4.555 50 0 IJAARN CCOc1ccc2nc(NC(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)sc2c1 ZINC000013945444 556342762 /nfs/dbraw/zinc/34/27/62/556342762.db2.gz FVMVZYKCKRIYFN-OAHLLOKOSA-N 0 0 443.579 4.601 50 0 IJAARN COCc1ccc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)o1 ZINC000011706695 556347709 /nfs/dbraw/zinc/34/77/09/556347709.db2.gz ITKTVANWGYWGOQ-UHFFFAOYSA-N 0 0 446.975 4.795 50 0 IJAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000011715478 556348056 /nfs/dbraw/zinc/34/80/56/556348056.db2.gz XHUBUMMMEBRNQX-GOSISDBHSA-N 0 0 442.478 4.842 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000013961308 556348878 /nfs/dbraw/zinc/34/88/78/556348878.db2.gz YJJFAOLAKNRLLU-UHFFFAOYSA-N 0 0 442.541 4.631 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000032778255 556351000 /nfs/dbraw/zinc/35/10/00/556351000.db2.gz VRSXUXDDUIWADE-UHFFFAOYSA-N 0 0 438.940 4.563 50 0 IJAARN CSc1ccc(C[C@@]2(CCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CCC(=O)N2)cc1 ZINC000011783489 556351699 /nfs/dbraw/zinc/35/16/99/556351699.db2.gz YDONSPGXORCKAN-CPJSRVTESA-N 0 0 440.584 4.535 50 0 IJAARN CCC(=O)N(CCOC)Cc1cc2cc3c(cc2nc1-c1cccc(Cl)c1)OCO3 ZINC000011785411 556353145 /nfs/dbraw/zinc/35/31/45/556353145.db2.gz MWKIKZZYMXXPHB-UHFFFAOYSA-N 0 0 426.900 4.669 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)cc1 ZINC000014015935 556355582 /nfs/dbraw/zinc/35/55/82/556355582.db2.gz MTKMYFWQPVYEFT-MRXNPFEDSA-N 0 0 435.549 4.834 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c(C)c1 ZINC000011814461 556357921 /nfs/dbraw/zinc/35/79/21/556357921.db2.gz YWPBJKXIMYQREX-HXUWFJFHSA-N 0 0 426.532 4.733 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)c(OC)c1 ZINC000032797516 556364339 /nfs/dbraw/zinc/36/43/39/556364339.db2.gz HEWMYGZIMUUSEV-UHFFFAOYSA-N 0 0 440.550 4.743 50 0 IJAARN COc1ccc(OC)c2c1CN(c1nc(C)nc3scc(-c4cccs4)c31)C[C@H]2O ZINC000032808477 556368432 /nfs/dbraw/zinc/36/84/32/556368432.db2.gz KZLHVAHBUOYWSE-OAHLLOKOSA-N 0 0 439.562 4.799 50 0 IJAARN C[C@H](Cc1cccs1)NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000011878184 556371019 /nfs/dbraw/zinc/37/10/19/556371019.db2.gz YPPIKMVDMVDDQQ-OAHLLOKOSA-N 0 0 429.973 4.935 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2c(c1)OCCCO2 ZINC000014125277 556373211 /nfs/dbraw/zinc/37/32/11/556373211.db2.gz YFXYBMQJBBVPMT-UHFFFAOYSA-N 0 0 425.485 4.555 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SC[C@H]1CCCO1)O[C@H](C)C2 ZINC000014128596 556373786 /nfs/dbraw/zinc/37/37/86/556373786.db2.gz VPVUECPBQDGVFM-VQIMIIECSA-N 0 0 427.566 4.610 50 0 IJAARN CC[C@@H](c1nnc(SCc2nc(-c3cccs3)no2)n1Cc1ccccc1)N(C)C ZINC000014137775 556375866 /nfs/dbraw/zinc/37/58/66/556375866.db2.gz PNAKXGBXYJCSBT-INIZCTEOSA-N 0 0 440.598 4.743 50 0 IJAARN CC(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000011933150 556376621 /nfs/dbraw/zinc/37/66/21/556376621.db2.gz MAMOOKFHLBZJTI-GOSISDBHSA-N 0 0 433.533 4.504 50 0 IJAARN CC(=O)c1ccc(OCc2cc(C(=O)N[C@@H](c3ccncc3)c3ccc(F)cc3)no2)cc1 ZINC000011937330 556379195 /nfs/dbraw/zinc/37/91/95/556379195.db2.gz OKFGJUARVYLHAS-XMMPIXPASA-N 0 0 445.450 4.510 50 0 IJAARN Cc1nc(CC(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)cs1 ZINC000012048436 556391875 /nfs/dbraw/zinc/39/18/75/556391875.db2.gz ZHVZIHYSQSXTTF-MRXNPFEDSA-N 0 0 432.467 4.800 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1Cc1ccccc1 ZINC000014201733 556392068 /nfs/dbraw/zinc/39/20/68/556392068.db2.gz SWEMXLHQSAGHMV-IBGZPJMESA-N 0 0 449.605 4.700 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)CSc2ccccc2)C1)NCc1ccccc1Cl ZINC000012053543 556393107 /nfs/dbraw/zinc/39/31/07/556393107.db2.gz GVLMRPGSZSJOQX-GOSISDBHSA-N 0 0 431.001 4.767 50 0 IJAARN Cn1ccnc1[C@@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000032809721 556394473 /nfs/dbraw/zinc/39/44/73/556394473.db2.gz DPTMEGGDAHYAAY-INIZCTEOSA-N 0 0 429.851 4.569 50 0 IJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cccc5ccccc54)CC3)n2)cc1 ZINC000032809965 556395135 /nfs/dbraw/zinc/39/51/35/556395135.db2.gz PBJAYTMQOUMHMN-IBGZPJMESA-N 0 0 426.520 4.717 50 0 IJAARN Cc1sc2[nH]c(CNc3ccc4c(c3)NC(=O)[C@@H](C)O4)nc(=O)c2c1-c1ccc(C)cc1 ZINC000032814879 556400576 /nfs/dbraw/zinc/40/05/76/556400576.db2.gz BSJBEAJVNVQHDU-CYBMUJFWSA-N 0 0 446.532 4.600 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nc(C)n(C3CC3)c1=S)CC2 ZINC000014242041 556402682 /nfs/dbraw/zinc/40/26/82/556402682.db2.gz VRYSTGRQRQPHHU-HSZRJFAPSA-N 0 0 436.581 4.680 50 0 IJAARN COc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC ZINC000012371180 556403661 /nfs/dbraw/zinc/40/36/61/556403661.db2.gz ZZUXABLVSFALIF-JWGURIENSA-N 0 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ZINC000032622325 556409593 /nfs/dbraw/zinc/40/95/93/556409593.db2.gz GJYPDJNOWRYBRB-JOCHJYFZSA-N 0 0 449.551 4.624 50 0 IJAARN COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)c1 ZINC000032622410 556409973 /nfs/dbraw/zinc/40/99/73/556409973.db2.gz KDCOOQDIZWTJDX-QHCPKHFHSA-N 0 0 449.551 4.624 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1 ZINC000014256563 556410689 /nfs/dbraw/zinc/41/06/89/556410689.db2.gz DZXRCCYJWUIPJW-UHFFFAOYSA-N 0 0 425.529 4.666 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)n2)cc1 ZINC000032624043 556411226 /nfs/dbraw/zinc/41/12/26/556411226.db2.gz HEIVPSBZLREPSJ-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2CC)cc1 ZINC000032624419 556411434 /nfs/dbraw/zinc/41/14/34/556411434.db2.gz OBQARZZLDXBRNN-FCQUAONHSA-N 0 0 445.610 4.508 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 ZINC000014348162 556413918 /nfs/dbraw/zinc/41/39/18/556413918.db2.gz VXKIOGIAZBYOQF-UHFFFAOYSA-N 0 0 445.897 4.863 50 0 IJAARN CCOC(=O)C1(Cc2ccc(Br)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000012957328 556418429 /nfs/dbraw/zinc/41/84/29/556418429.db2.gz DVFVYGOJZOUJJB-UHFFFAOYSA-N 0 0 426.351 4.572 50 0 IJAARN O=C(CCOc1ccccc1F)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014502754 556419791 /nfs/dbraw/zinc/41/97/91/556419791.db2.gz KNTGMSORFIQSDR-UHFFFAOYSA-N 0 0 429.495 4.823 50 0 IJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012975311 556421109 /nfs/dbraw/zinc/42/11/09/556421109.db2.gz LSXUZQIELDFCBR-CYBMUJFWSA-N 0 0 426.485 4.883 50 0 IJAARN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(OC(F)F)cc1 ZINC000012980844 556424219 /nfs/dbraw/zinc/42/42/19/556424219.db2.gz XTGKWWNKGFFQBL-KRWDZBQOSA-N 0 0 432.370 4.676 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000012984745 556426134 /nfs/dbraw/zinc/42/61/34/556426134.db2.gz RPXOLNUUIPTKGO-NFQTVLRUSA-N 0 0 446.975 4.503 50 0 IJAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nc2sccc2c(=O)n1C ZINC000012995439 556430781 /nfs/dbraw/zinc/43/07/81/556430781.db2.gz WWZFFADAJOKXMV-UHFFFAOYSA-N 0 0 434.539 4.818 50 0 IJAARN O=C(c1ccoc1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013003522 556434178 /nfs/dbraw/zinc/43/41/78/556434178.db2.gz RMTFLRDDKQPMGT-INIZCTEOSA-N 0 0 433.327 4.991 50 0 IJAARN Cc1c(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003731 556434478 /nfs/dbraw/zinc/43/44/78/556434478.db2.gz LWFKFMKCVIMSFJ-KBPBESRZSA-N 0 0 428.602 4.665 50 0 IJAARN Cc1c(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003729 556434564 /nfs/dbraw/zinc/43/45/64/556434564.db2.gz LWFKFMKCVIMSFJ-OKILXGFUSA-N 0 0 428.602 4.665 50 0 IJAARN CCOC(=O)c1sc2[nH]c([C@@H](C)SCc3ccccc3OCC)nc(=O)c2c1C ZINC000013018218 556438939 /nfs/dbraw/zinc/43/89/39/556438939.db2.gz FJNWGVCJYRHSNP-CYBMUJFWSA-N 0 0 432.567 4.863 50 0 IJAARN COc1ccc([C@H](NC(=O)CSc2nnc(-c3ccccc3F)o2)c2ccccc2)cc1 ZINC000013027024 556440551 /nfs/dbraw/zinc/44/05/51/556440551.db2.gz GURVXCICPLZNNK-JOCHJYFZSA-N 0 0 449.507 4.882 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1 ZINC000032957480 556442457 /nfs/dbraw/zinc/44/24/57/556442457.db2.gz CYFWOBBZZZPBFL-UHFFFAOYSA-N 0 0 444.560 4.616 50 0 IJAARN COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000028055957 556443200 /nfs/dbraw/zinc/44/32/00/556443200.db2.gz ICJUCWFDTPWTPX-UHFFFAOYSA-N 0 0 449.878 4.729 50 0 IJAARN O=c1c2ccccc2nc(S[C@H]2CCCCCC2=O)n1-c1ccc(OC(F)F)cc1 ZINC000028186706 556444621 /nfs/dbraw/zinc/44/46/21/556444621.db2.gz NAMDINFSZIEAQM-IBGZPJMESA-N 0 0 430.476 4.981 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(N2CCCC2)nc1 ZINC000014810447 556447668 /nfs/dbraw/zinc/44/76/68/556447668.db2.gz KQWUFROASZNXQE-QFIPXVFZSA-N 0 0 448.954 4.835 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000028287384 556448013 /nfs/dbraw/zinc/44/80/13/556448013.db2.gz QZWUCCFQPGKLHK-OAQYLSRUSA-N 0 0 426.944 4.815 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(CSc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000013057836 556449399 /nfs/dbraw/zinc/44/93/99/556449399.db2.gz DGNYPIUTRSMMFA-UHFFFAOYSA-N 0 0 441.603 4.901 50 0 IJAARN Cc1ccccc1CN(C)Cn1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1=S ZINC000013069214 556452838 /nfs/dbraw/zinc/45/28/38/556452838.db2.gz GDUVHDAXDXJTER-UHFFFAOYSA-N 0 0 445.610 4.536 50 0 IJAARN Cc1cc2ccccc2n1CC(=O)N(C)c1ccccc1C(=O)N(C)CCc1ccccc1 ZINC000072275303 556455756 /nfs/dbraw/zinc/45/57/56/556455756.db2.gz PRXPGKPKBBLFES-UHFFFAOYSA-N 0 0 439.559 4.927 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2cccs2)n1C[C@H]1CCCO1 ZINC000014889279 556456172 /nfs/dbraw/zinc/45/61/72/556456172.db2.gz QLKWJCBVKBMSII-LJQANCHMSA-N 0 0 428.627 4.751 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(OCC(C)C)cc1 ZINC000013095774 556456587 /nfs/dbraw/zinc/45/65/87/556456587.db2.gz FNCUYOJOWBHKHF-UHFFFAOYSA-N 0 0 436.508 4.604 50 0 IJAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000013098779 556459322 /nfs/dbraw/zinc/45/93/22/556459322.db2.gz VHSXQDDVLOLPIU-RTBURBONSA-N 0 0 446.532 4.997 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000013102866 556461366 /nfs/dbraw/zinc/46/13/66/556461366.db2.gz PNLVXLASKWFLJT-UHFFFAOYSA-N 0 0 440.500 4.882 50 0 IJAARN Cc1csc(CN(C)C(=O)c2sc3ncnc(NCCc4ccccc4)c3c2C)n1 ZINC000014953858 556461579 /nfs/dbraw/zinc/46/15/79/556461579.db2.gz OITCPVCDHSXISH-UHFFFAOYSA-N 0 0 437.594 4.691 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)s1)C1CC1 ZINC000013109798 556463597 /nfs/dbraw/zinc/46/35/97/556463597.db2.gz MFAKAIGYFVFZJF-CQSZACIVSA-N 0 0 440.594 4.566 50 0 IJAARN CCOc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000032959135 556464085 /nfs/dbraw/zinc/46/40/85/556464085.db2.gz ZSSMFXWLBQNLOQ-UHFFFAOYSA-N 0 0 433.895 4.958 50 0 IJAARN Cc1c2ccccc2sc1C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000013112823 556465882 /nfs/dbraw/zinc/46/58/82/556465882.db2.gz XWYXSNHOYJWUIN-UHFFFAOYSA-N 0 0 440.524 4.888 50 0 IJAARN COc1ccc(-c2noc(CN3CCC(CCc4ccccc4)CC3)n2)c(OC)c1OC ZINC000014970707 556467171 /nfs/dbraw/zinc/46/71/71/556467171.db2.gz VUXHUQWCYIPUSH-UHFFFAOYSA-N 0 0 437.540 4.607 50 0 IJAARN Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000013114807 556467250 /nfs/dbraw/zinc/46/72/50/556467250.db2.gz RVJNGFIISAMDKN-NRFANRHFSA-N 0 0 432.520 4.798 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117839 556470744 /nfs/dbraw/zinc/47/07/44/556470744.db2.gz WKGDLDJEFKCQGH-OAHLLOKOSA-N 0 0 433.599 4.815 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000014987463 556473289 /nfs/dbraw/zinc/47/32/89/556473289.db2.gz YXXWQBFFLNUUIZ-DEOSSOPVSA-N 0 0 439.490 4.612 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCCc1nc2ccccc2n1C(F)F ZINC000072283653 556474308 /nfs/dbraw/zinc/47/43/08/556474308.db2.gz TZGLPAHDYUQCOV-OUKQBFOZSA-N 0 0 435.478 4.606 50 0 IJAARN Cc1cc(CN(C)C(=O)c2sc3ncnc(NCCCc4ccccc4)c3c2C)on1 ZINC000014990094 556474380 /nfs/dbraw/zinc/47/43/80/556474380.db2.gz VWOSQZIWKVBNEE-UHFFFAOYSA-N 0 0 435.553 4.613 50 0 IJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2I)s1 ZINC000029509304 556477205 /nfs/dbraw/zinc/47/72/05/556477205.db2.gz HULHJGJJEOTMTR-UHFFFAOYSA-N 0 0 440.331 4.966 50 0 IJAARN Cc1[nH]c2ccccc2c1CC(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015003929 556480965 /nfs/dbraw/zinc/48/09/65/556480965.db2.gz IJQIGFDPFMQBDC-VWLOTQADSA-N 0 0 445.588 4.832 50 0 IJAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000029766287 556481822 /nfs/dbraw/zinc/48/18/22/556481822.db2.gz DFRFCIKZKQULFK-UHFFFAOYSA-N 0 0 430.552 4.604 50 0 IJAARN CSCc1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)o1 ZINC000029917790 556486579 /nfs/dbraw/zinc/48/65/79/556486579.db2.gz MVWHFLNFGJINHD-MRXNPFEDSA-N 0 0 429.592 4.905 50 0 IJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nc2ccccc2s1 ZINC000013145617 556487690 /nfs/dbraw/zinc/48/76/90/556487690.db2.gz CEWGUYZTMPWUIZ-UHFFFAOYSA-N 0 0 427.529 4.572 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc3sc(SCC(=O)N4CCCCCC4)nn32)cc1 ZINC000013147783 556488986 /nfs/dbraw/zinc/48/89/86/556488986.db2.gz BHVQDCRYGXPKGL-UHFFFAOYSA-N 0 0 429.615 4.645 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(Cl)c1OC(C)C ZINC000030176367 556491309 /nfs/dbraw/zinc/49/13/09/556491309.db2.gz HHLNFBSHSWARQR-GOSISDBHSA-N 0 0 432.904 4.506 50 0 IJAARN COc1cc(OC)c(C2=CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(OC)c1 ZINC000011063201 556493645 /nfs/dbraw/zinc/49/36/45/556493645.db2.gz FQWPJXZWPUUVFK-UHFFFAOYSA-N 0 0 441.915 4.705 50 0 IJAARN CCn1cc(CNc2nc(C)c(-c3ccn(CCc4ccc(OC)cc4)n3)s2)c(C)n1 ZINC000015070070 556495099 /nfs/dbraw/zinc/49/50/99/556495099.db2.gz LNRZEIKUTCBUNF-UHFFFAOYSA-N 0 0 436.585 4.703 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2NC1=O ZINC000013164475 556496451 /nfs/dbraw/zinc/49/64/51/556496451.db2.gz UPABLNQQPQPYJI-AWEZNQCLSA-N 0 0 430.489 4.573 50 0 IJAARN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000032708116 556501024 /nfs/dbraw/zinc/50/10/24/556501024.db2.gz IZAINJUOIZBZKC-UHFFFAOYSA-N 0 0 442.535 4.566 50 0 IJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000015106646 556503963 /nfs/dbraw/zinc/50/39/63/556503963.db2.gz NQUVWCWKRODJCE-INIZCTEOSA-N 0 0 438.505 4.506 50 0 IJAARN O=C1N[C@@]2(CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000013395465 556504189 /nfs/dbraw/zinc/50/41/89/556504189.db2.gz UBLXJJQOWTZNHB-BIATYSSJSA-N 0 0 426.520 4.779 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004556177 556506530 /nfs/dbraw/zinc/50/65/30/556506530.db2.gz GOKQFTCWWZYZHN-OJDRVIBRSA-N 0 0 429.560 4.905 50 0 IJAARN COC(=O)c1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000030822687 556506745 /nfs/dbraw/zinc/50/67/45/556506745.db2.gz HRAWJVKOUJXVHG-UHFFFAOYSA-N 0 0 433.460 4.822 50 0 IJAARN Cc1c(C[NH2+]CCN(C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000022937794 556506821 /nfs/dbraw/zinc/50/68/21/556506821.db2.gz CEHPRUSNLGLTOV-UHFFFAOYSA-N 0 0 439.987 4.726 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000013511740 556510576 /nfs/dbraw/zinc/51/05/76/556510576.db2.gz RJPFCZJSJFHXNG-WQRHYEAKSA-N 0 0 440.311 4.933 50 0 IJAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000015229500 556512752 /nfs/dbraw/zinc/51/27/52/556512752.db2.gz LOZMTJUPKACQEG-HNNXBMFYSA-N 0 0 440.824 4.765 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000013556535 556516809 /nfs/dbraw/zinc/51/68/09/556516809.db2.gz VECWBFFJLFOIBP-UHFFFAOYSA-N 0 0 428.879 4.603 50 0 IJAARN COc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1OC ZINC000013557275 556517220 /nfs/dbraw/zinc/51/72/20/556517220.db2.gz YEYNOVONRUYREF-UHFFFAOYSA-N 0 0 425.824 4.976 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013557620 556517582 /nfs/dbraw/zinc/51/75/82/556517582.db2.gz ZUQZCZCEJVBRKY-FQEVSTJZSA-N 0 0 447.458 4.559 50 0 IJAARN CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccc(Cl)s1 ZINC000032718911 556517814 /nfs/dbraw/zinc/51/78/14/556517814.db2.gz KNMIDRFRXSSBLO-GOSISDBHSA-N 0 0 434.989 4.748 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000015395511 556524223 /nfs/dbraw/zinc/52/42/23/556524223.db2.gz OGSUWAYZNFWIKH-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1cccc(COc2ccccc2C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000032899588 556531026 /nfs/dbraw/zinc/53/10/26/556531026.db2.gz CMKQVQPMEFAIHE-UHFFFAOYSA-N 0 0 429.520 4.564 50 0 IJAARN COc1cc2c(cc1NC(=O)COc1cccc(N3CCCC3=O)c1)oc1ccccc12 ZINC000015512734 556532293 /nfs/dbraw/zinc/53/22/93/556532293.db2.gz YEXAHNSALNUGGO-UHFFFAOYSA-N 0 0 430.460 4.739 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548817 556534331 /nfs/dbraw/zinc/53/43/31/556534331.db2.gz FFWUSBLZMVKOIN-IQMFZBJNSA-N 0 0 437.590 4.521 50 0 IJAARN O=S(=O)(c1cccc(Cl)c1)N(Cc1cc(-c2ccco2)on1)Cc1ccccc1 ZINC000015553112 556534348 /nfs/dbraw/zinc/53/43/48/556534348.db2.gz DXIOTCHBHPSNAR-UHFFFAOYSA-N 0 0 428.897 4.979 50 0 IJAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000015583669 556535917 /nfs/dbraw/zinc/53/59/17/556535917.db2.gz ZGYOIRCWGBFLGH-UHFFFAOYSA-N 0 0 429.929 4.573 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000013631894 556539233 /nfs/dbraw/zinc/53/92/33/556539233.db2.gz VYFHBOOXIZQJBB-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000015655822 556540843 /nfs/dbraw/zinc/54/08/43/556540843.db2.gz RCDAQCSHIGGQMM-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1cc(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)c(OC)cc1Cl ZINC000032959756 556550155 /nfs/dbraw/zinc/55/01/55/556550155.db2.gz HBGQBDHEMBBYDH-UHFFFAOYSA-N 0 0 447.944 4.743 50 0 IJAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)cc1 ZINC000015778879 556550889 /nfs/dbraw/zinc/55/08/89/556550889.db2.gz ZROZWYSRQMJTCY-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997185 556551136 /nfs/dbraw/zinc/55/11/36/556551136.db2.gz YQZAKKFVINBVSD-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCCCOc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1 ZINC000033048704 556553601 /nfs/dbraw/zinc/55/36/01/556553601.db2.gz PQKNZHFECMJJIB-UHFFFAOYSA-N 0 0 427.552 4.902 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)c1 ZINC000033258000 556557323 /nfs/dbraw/zinc/55/73/23/556557323.db2.gz AXIDBISMZAECPL-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000015860802 556558677 /nfs/dbraw/zinc/55/86/77/556558677.db2.gz UDKWQHOWSAZMAM-SFHVURJKSA-N 0 0 439.581 4.617 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)o1 ZINC000015860437 556558797 /nfs/dbraw/zinc/55/87/97/556558797.db2.gz YIZPSIAFIIQJCR-GOSISDBHSA-N 0 0 428.916 4.613 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1C ZINC000033274769 556559132 /nfs/dbraw/zinc/55/91/32/556559132.db2.gz HMKCQTGWKZUGAI-UHFFFAOYSA-N 0 0 440.609 4.832 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033274771 556559211 /nfs/dbraw/zinc/55/92/11/556559211.db2.gz WTQCLAPUGQUZHC-UHFFFAOYSA-N 0 0 440.609 4.778 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)no1 ZINC000032906991 556560347 /nfs/dbraw/zinc/56/03/47/556560347.db2.gz XFBHCTONCJWISN-UHFFFAOYSA-N 0 0 442.447 4.535 50 0 IJAARN COc1cccc(CNC(=O)CN2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 ZINC000072308407 556566268 /nfs/dbraw/zinc/56/62/68/556566268.db2.gz APBGEOTUZWDZPT-QFIPXVFZSA-N 0 0 433.552 4.927 50 0 IJAARN CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccc1C(F)(F)F ZINC000015982215 556570901 /nfs/dbraw/zinc/57/09/01/556570901.db2.gz PVDITRWUXSZDKG-UHFFFAOYSA-N 0 0 426.398 4.986 50 0 IJAARN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N21 ZINC000015997010 556572107 /nfs/dbraw/zinc/57/21/07/556572107.db2.gz LEHDGEHPOHUFBQ-YIPGRGJBSA-N 0 0 448.522 4.639 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032910099 556579259 /nfs/dbraw/zinc/57/92/59/556579259.db2.gz LQYKFMRERHPOAI-IBGZPJMESA-N 0 0 437.499 4.674 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000016045339 556579266 /nfs/dbraw/zinc/57/92/66/556579266.db2.gz YUKDZJACLOCLAY-NRFANRHFSA-N 0 0 428.410 4.904 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC3CCCC3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813362 556583188 /nfs/dbraw/zinc/58/31/88/556583188.db2.gz AVUZMJQJUZLPBX-UHFFFAOYSA-N 0 0 433.552 4.912 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083670 556592796 /nfs/dbraw/zinc/59/27/96/556592796.db2.gz KUDVYEXBESBWDD-HXUWFJFHSA-N 0 0 449.334 4.976 50 0 IJAARN COc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000016247902 556594084 /nfs/dbraw/zinc/59/40/84/556594084.db2.gz CBUQOFTVUASVPP-UHFFFAOYSA-N 0 0 432.589 4.787 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cs1 ZINC000016276874 556596513 /nfs/dbraw/zinc/59/65/13/556596513.db2.gz PBPUPUZLBQDSNX-UHFFFAOYSA-N 0 0 446.576 4.952 50 0 IJAARN COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)N1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000036387176 556597729 /nfs/dbraw/zinc/59/77/29/556597729.db2.gz SKWMDAJIQZJZKL-FGZHOGPDSA-N 0 0 429.516 4.872 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)cc1Cl ZINC000071768991 556600940 /nfs/dbraw/zinc/60/09/40/556600940.db2.gz YRCVIKBMHZATSF-UHFFFAOYSA-N 0 0 439.943 4.587 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016347023 556601612 /nfs/dbraw/zinc/60/16/12/556601612.db2.gz SLMDZVUZCGOLKO-UHFFFAOYSA-N 0 0 442.968 4.502 50 0 IJAARN CCn1c(CCNC(=O)c2cccs2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000016361431 556602623 /nfs/dbraw/zinc/60/26/23/556602623.db2.gz IETVMKPXKWMWOT-UHFFFAOYSA-N 0 0 441.409 4.931 50 0 IJAARN CCOC(=O)c1ccc2nc(-c3cccc(Cl)c3)cc(OCC(=O)NC(C)C)c2c1 ZINC000032985846 556605510 /nfs/dbraw/zinc/60/55/10/556605510.db2.gz UNMHAMDEBNAHRO-UHFFFAOYSA-N 0 0 426.900 4.635 50 0 IJAARN COc1ccc(CN2[C@H](c3ccc(SC)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986926 556606737 /nfs/dbraw/zinc/60/67/37/556606737.db2.gz XRPJKGIQBDMFQK-JOCHJYFZSA-N 0 0 426.563 4.732 50 0 IJAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2C1 ZINC000032914267 556607551 /nfs/dbraw/zinc/60/75/51/556607551.db2.gz CSOFALOIPUANFC-SFHVURJKSA-N 0 0 429.564 4.849 50 0 IJAARN CC(C)[C@H](NC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032995305 556610477 /nfs/dbraw/zinc/61/04/77/556610477.db2.gz YWIGKBGIYTUJHP-IBGZPJMESA-N 0 0 428.583 4.688 50 0 IJAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1Cl ZINC000038651703 556614999 /nfs/dbraw/zinc/61/49/99/556614999.db2.gz XGFRBFLFWAEWNR-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000033695871 556622325 /nfs/dbraw/zinc/62/23/25/556622325.db2.gz SDMCIDQKVYUJNZ-NFBKMPQASA-N 0 0 446.304 4.798 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@H](C)Cc4ccco4)cc3)n2)cc1 ZINC000032999063 556626705 /nfs/dbraw/zinc/62/67/05/556626705.db2.gz XEJNMUQYFFYVCJ-GOSISDBHSA-N 0 0 445.544 4.646 50 0 IJAARN COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O ZINC000016741442 556635092 /nfs/dbraw/zinc/63/50/92/556635092.db2.gz IFGDMBAAKZVNEC-QHCPKHFHSA-N 0 0 442.471 4.577 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016741444 556635371 /nfs/dbraw/zinc/63/53/71/556635371.db2.gz NXYFAHIWJFVNIV-QHCPKHFHSA-N 0 0 426.472 4.872 50 0 IJAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016751048 556637354 /nfs/dbraw/zinc/63/73/54/556637354.db2.gz XLELDZGTMODBOK-YKSBVNFPSA-N 0 0 447.531 4.942 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000037443379 556638175 /nfs/dbraw/zinc/63/81/75/556638175.db2.gz QPRNWNZDWQHSGN-IZJXBPLLSA-N 0 0 425.573 4.867 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1OCC ZINC000016753891 556638696 /nfs/dbraw/zinc/63/86/96/556638696.db2.gz FJQNMJODGRKLMG-UHFFFAOYSA-N 0 0 425.485 4.821 50 0 IJAARN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NCCC(C)C)ccc3CCN2C(=O)C2CC2)c1 ZINC000037605000 556645437 /nfs/dbraw/zinc/64/54/37/556645437.db2.gz QPHVUQMZCLNUSD-IBVKSMDESA-N 0 0 448.607 4.809 50 0 IJAARN CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)C)CC2 ZINC000037604725 556645525 /nfs/dbraw/zinc/64/55/25/556645525.db2.gz OIIDDNLUWUNOSH-CJFMBICVSA-N 0 0 436.596 4.746 50 0 IJAARN Cc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)Nc2ccccc2)CC3)cc1 ZINC000037580535 556645869 /nfs/dbraw/zinc/64/58/69/556645869.db2.gz PZWFUQGGUQNKKQ-UHFFFAOYSA-N 0 0 429.524 4.768 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000037601750 556646464 /nfs/dbraw/zinc/64/64/64/556646464.db2.gz IYRTUZCBFWDWSB-FTJBHMTQSA-N 0 0 448.607 4.809 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000016845016 556646580 /nfs/dbraw/zinc/64/65/80/556646580.db2.gz ZBQJQZNGXSPIAK-UHFFFAOYSA-N 0 0 443.500 4.671 50 0 IJAARN CCn1c(SCC(=O)NCc2ccccc2)nc2c(-c3ccc(C)cc3)csc2c1=O ZINC000016846152 556647064 /nfs/dbraw/zinc/64/70/64/556647064.db2.gz PFEDFECLYIBACF-UHFFFAOYSA-N 0 0 449.601 4.862 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000016884336 556647932 /nfs/dbraw/zinc/64/79/32/556647932.db2.gz VICXPTBISPUWCB-GOSISDBHSA-N 0 0 432.520 4.656 50 0 IJAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1cccc(Cl)c1Cl ZINC000011739530 556649568 /nfs/dbraw/zinc/64/95/68/556649568.db2.gz UKLHLUCUQKXPDP-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)[C@@](C)(CC)Cc1ccccc1-2 ZINC000016957151 556650581 /nfs/dbraw/zinc/65/05/81/556650581.db2.gz VXMACXNDRZMLNQ-VWLOTQADSA-N 0 0 433.577 4.885 50 0 IJAARN CCCn1nc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c2ccccc2c1=O ZINC000016963741 556651509 /nfs/dbraw/zinc/65/15/09/556651509.db2.gz WMGXKNKSOAMNHV-HSZRJFAPSA-N 0 0 429.545 4.656 50 0 IJAARN COC(=O)c1ccc(O)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000011757506 556651513 /nfs/dbraw/zinc/65/15/13/556651513.db2.gz BJRPPNOJYFZSLY-UHFFFAOYSA-N 0 0 435.520 4.664 50 0 in-vitro IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc(OCC)c1OCC ZINC000011757714 556651828 /nfs/dbraw/zinc/65/18/28/556651828.db2.gz ZIGGIBSNIKCOOL-UHFFFAOYSA-N 0 0 442.581 4.936 50 0 IJAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)Nc3cc(C)cc(C)c3)c(=O)c12 ZINC000032999233 556653005 /nfs/dbraw/zinc/65/30/05/556653005.db2.gz UOXNTBRLNKJGJE-UHFFFAOYSA-N 0 0 432.499 4.589 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1 ZINC000017042137 556653953 /nfs/dbraw/zinc/65/39/53/556653953.db2.gz QFLBBGBHFBXRIG-UHFFFAOYSA-N 0 0 430.533 4.766 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000017045853 556654374 /nfs/dbraw/zinc/65/43/74/556654374.db2.gz JKZZFTILPCPZJV-SFHVURJKSA-N 0 0 436.899 4.515 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2C)s1 ZINC000033008307 556657053 /nfs/dbraw/zinc/65/70/53/556657053.db2.gz ZCJMDCRLBKHIGA-UHFFFAOYSA-N 0 0 444.513 4.623 50 0 IJAARN Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4cccs4)n3)nc21 ZINC000011835233 556659629 /nfs/dbraw/zinc/65/96/29/556659629.db2.gz RSQLLSCQWNRQHM-UHFFFAOYSA-N 0 0 428.564 4.946 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033012586 556661538 /nfs/dbraw/zinc/66/15/38/556661538.db2.gz ALCCGPRFOSGVEZ-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN C[C@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[nH]c3=S)CCCC5)csc2C1 ZINC000017097680 556662065 /nfs/dbraw/zinc/66/20/65/556662065.db2.gz JTWOSPHTAHDRDF-JTQLQIEISA-N 0 0 431.608 4.570 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000033012919 556662574 /nfs/dbraw/zinc/66/25/74/556662574.db2.gz YUSSKAYCXIPWAL-UHFFFAOYSA-N 0 0 445.475 4.894 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000033012917 556662587 /nfs/dbraw/zinc/66/25/87/556662587.db2.gz YTIMMRWKVHFBFV-UHFFFAOYSA-N 0 0 445.475 4.894 50 0 IJAARN CCc1c(C)sc(NC(=O)c2c(Cl)cnn2C)c1C(=O)Nc1ccccc1OC ZINC000017098256 556663047 /nfs/dbraw/zinc/66/30/47/556663047.db2.gz YKUJMADZVLODGU-UHFFFAOYSA-N 0 0 432.933 4.519 50 0 IJAARN CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 ZINC000017098763 556663792 /nfs/dbraw/zinc/66/37/92/556663792.db2.gz CBFUPHDUOXRFNN-UHFFFAOYSA-N 0 0 434.359 4.940 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nnc1C1CCCCC1 ZINC000017102993 556666941 /nfs/dbraw/zinc/66/69/41/556666941.db2.gz CANRMADHSGPGKL-UHFFFAOYSA-N 0 0 438.981 4.747 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)N(c3c(C)cccc3CC)[C@@H](C)COC)nc2c1 ZINC000017123711 556668536 /nfs/dbraw/zinc/66/85/36/556668536.db2.gz FSRPHDFKHHVNEB-KRWDZBQOSA-N 0 0 441.597 4.993 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017169755 556671380 /nfs/dbraw/zinc/67/13/80/556671380.db2.gz DVMNWQLXCADHKU-UHFFFAOYSA-N 0 0 437.927 4.608 50 0 IJAARN CCCCCCOc1ccc(N2C(=O)CC(=C3NN(c4ccccc4)C(=O)C3C)C2=O)cc1 ZINC000100801087 556675623 /nfs/dbraw/zinc/67/56/23/556675623.db2.gz YHVDOHRBOMRWTQ-JOCHJYFZSA-N 0 0 447.535 4.893 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c(C)c1 ZINC000010625825 556681598 /nfs/dbraw/zinc/68/15/98/556681598.db2.gz MHFKAUQRPXHXPB-UHFFFAOYSA-N 0 0 431.945 4.669 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccccc1 ZINC000046006484 556690375 /nfs/dbraw/zinc/69/03/75/556690375.db2.gz GQSZOMGGIIHVSQ-UHFFFAOYSA-N 0 0 428.536 4.603 50 0 IJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000046006760 556690889 /nfs/dbraw/zinc/69/08/89/556690889.db2.gz FONLMWNDXPQMBU-UHFFFAOYSA-N 0 0 446.526 4.742 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000046141490 556692949 /nfs/dbraw/zinc/69/29/49/556692949.db2.gz QPBLSCRTKQLDAW-UHFFFAOYSA-N 0 0 443.525 4.733 50 0 IJAARN O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000072314294 556697003 /nfs/dbraw/zinc/69/70/03/556697003.db2.gz NZOVWYPMWAEMJJ-OAQYLSRUSA-N 0 0 426.524 4.733 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000013567774 556698285 /nfs/dbraw/zinc/69/82/85/556698285.db2.gz FQNSZLASWFMWNF-HXUWFJFHSA-N 0 0 441.483 4.865 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)c(OC)c1 ZINC000033025423 556700795 /nfs/dbraw/zinc/70/07/95/556700795.db2.gz PFKOSWLMAFUNEP-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)n2-c2ccccc2)n1 ZINC000033025610 556701178 /nfs/dbraw/zinc/70/11/78/556701178.db2.gz GGWJSOHILKCEJV-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1oc2cc(OCCN3C[C@@H](C)O[C@@H](C)C3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000013609071 556702515 /nfs/dbraw/zinc/70/25/15/556702515.db2.gz CPEVVISAEVIBNR-IYBDPMFKSA-N 0 0 427.928 4.910 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314573 556702584 /nfs/dbraw/zinc/70/25/84/556702584.db2.gz LCGMHSUTYDBZBT-XMMPIXPASA-N 0 0 437.572 4.898 50 0 IJAARN CCCCNC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027134 556704412 /nfs/dbraw/zinc/70/44/12/556704412.db2.gz WJOKOPNISLAINY-UHFFFAOYSA-N 0 0 444.944 4.553 50 0 IJAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)NCCc1c[nH]c2ccccc12 ZINC000013654146 556707558 /nfs/dbraw/zinc/70/75/58/556707558.db2.gz VYUBSNBWGNYUDD-UHFFFAOYSA-N 0 0 441.603 4.562 50 0 IJAARN COc1ccc2c(c1)occ(Oc1ccc(C(=O)Nc3ccc(N(C)C)cc3)cc1)c2=O ZINC000013691379 556711612 /nfs/dbraw/zinc/71/16/12/556711612.db2.gz UJNLFTUYUWLFEK-UHFFFAOYSA-N 0 0 430.460 4.912 50 0 IJAARN CCOCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035410 556717817 /nfs/dbraw/zinc/71/78/17/556717817.db2.gz BHNHIULAPMPUFH-FQEVSTJZSA-N 0 0 443.975 4.908 50 0 IJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)C1 ZINC000033035937 556718629 /nfs/dbraw/zinc/71/86/29/556718629.db2.gz XOOQYMBQWNXPJR-FQEVSTJZSA-N 0 0 447.501 4.933 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cn2)cc1 ZINC000033037274 556722419 /nfs/dbraw/zinc/72/24/19/556722419.db2.gz FRCQHYYHCPKLRJ-UHFFFAOYSA-N 0 0 443.482 4.901 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)cc1 ZINC000072328314 556724896 /nfs/dbraw/zinc/72/48/96/556724896.db2.gz DLPRTSRNXYHMHX-HSZRJFAPSA-N 0 0 442.625 4.651 50 0 IJAARN Cc1ccc(-n2c(CSc3cccc(C)c3)nn(CN3CCOCC3)c2=S)cc1 ZINC000072329975 556727660 /nfs/dbraw/zinc/72/76/60/556727660.db2.gz FWDRQGUEGOEHOS-UHFFFAOYSA-N 0 0 426.611 4.602 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)[nH]n2)cc1 ZINC000072331249 556730038 /nfs/dbraw/zinc/73/00/38/556730038.db2.gz RHUQLPSZLAZVJN-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]n1 ZINC000072331268 556730206 /nfs/dbraw/zinc/73/02/06/556730206.db2.gz OOAPFOSWQMGKED-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN CN1CCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@H](C(C)(C)C)CC3)CC1 ZINC000055480140 556741561 /nfs/dbraw/zinc/74/15/61/556741561.db2.gz HRZYTRVOYRNRLM-OAHLLOKOSA-N 0 0 445.654 4.601 50 0 IJAARN Cc1ccc(SCCOc2cccc(/C=c3/sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000013800221 556743152 /nfs/dbraw/zinc/74/31/52/556743152.db2.gz RXXIXRBIHHGTKZ-XQNSMLJCSA-N 0 0 444.581 4.936 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000013809665 556744162 /nfs/dbraw/zinc/74/41/62/556744162.db2.gz LVXMRBGVLHVBKT-QFIPXVFZSA-N 0 0 436.895 4.693 50 0 IJAARN O=C(Nc1nnc(C2CC2)s1)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000058014707 556753739 /nfs/dbraw/zinc/75/37/39/556753739.db2.gz ZOIKRKSVBLQAPY-UHFFFAOYSA-N 0 0 434.928 4.529 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058153568 556762153 /nfs/dbraw/zinc/76/21/53/556762153.db2.gz UWLYWGCWBDVQHP-JOCHJYFZSA-N 0 0 426.358 4.638 50 0 IJAARN COc1ccccc1NC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O ZINC000062001675 556764589 /nfs/dbraw/zinc/76/45/89/556764589.db2.gz WNOCNZOLDMQZDY-XNTDXEJSSA-N 0 0 439.508 4.599 50 0 biogenic IJAARN COc1ccc(Cl)cc1NC(=O)Nc1nnc(-c2ccc(Br)s2)o1 ZINC000062017494 556765892 /nfs/dbraw/zinc/76/58/92/556765892.db2.gz NMVYUSUHPKFKKC-UHFFFAOYSA-N 0 0 429.683 4.867 50 0 IJAARN O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1sc2ccccc2c1Cl ZINC000062022978 556766510 /nfs/dbraw/zinc/76/65/10/556766510.db2.gz USEGMQRTWGPAMJ-GFCCVEGCSA-N 0 0 438.896 4.711 50 0 IJAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000058179557 556769914 /nfs/dbraw/zinc/76/99/14/556769914.db2.gz QUVQYFJOYNEDBU-QGZVFWFLSA-N 0 0 440.927 4.766 50 0 IJAARN CC(=O)Nc1ccc(C2=N/C(=C/c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)cc1 ZINC000058201395 556771167 /nfs/dbraw/zinc/77/11/67/556771167.db2.gz GPNJGWJSKADHOE-LFIBNONCSA-N 0 0 439.880 4.892 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(OC)ccc3nc2C)c2ccccc21 ZINC000058292274 556777752 /nfs/dbraw/zinc/77/77/52/556777752.db2.gz ZDFSZARWODGXDG-HKARXFIJSA-N 0 0 445.563 4.989 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCCc2nc3ccccc3s2)cc1 ZINC000011178339 556777988 /nfs/dbraw/zinc/77/79/88/556777988.db2.gz HQLHWZPARMKQTR-UHFFFAOYSA-N 0 0 437.594 4.665 50 0 IJAARN COc1ccccc1CN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000058342531 556781879 /nfs/dbraw/zinc/78/18/79/556781879.db2.gz YLXGGDAMAYCZBW-IRXDYDNUSA-N 0 0 427.520 4.644 50 0 IJAARN CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000058357816 556782901 /nfs/dbraw/zinc/78/29/01/556782901.db2.gz FLOKYKJHNFEMFW-UHFFFAOYSA-N 0 0 448.523 4.929 50 0 IJAARN COc1ccccc1CN(Cc1ccccc1OC)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058368579 556783185 /nfs/dbraw/zinc/78/31/85/556783185.db2.gz NLKGCDHHMBVLIG-UHFFFAOYSA-N 0 0 443.547 4.708 50 0 IJAARN Cc1ccccc1NC1CCN(S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000058377805 556783941 /nfs/dbraw/zinc/78/39/41/556783941.db2.gz BJXHJKZEZBQVLY-UHFFFAOYSA-N 0 0 431.558 4.523 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000058393458 556785114 /nfs/dbraw/zinc/78/51/14/556785114.db2.gz NGARSAKRCGKPDF-UHFFFAOYSA-N 0 0 445.346 4.830 50 0 IJAARN CCCn1c(C)c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c2cc(OC)ccc21 ZINC000058418981 556787038 /nfs/dbraw/zinc/78/70/38/556787038.db2.gz NWQNWQODMBPKNU-CALCHBBNSA-N 0 0 436.556 4.629 50 0 IJAARN Cc1sc(=O)n(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1-c1ccc(F)cc1 ZINC000058434374 556788125 /nfs/dbraw/zinc/78/81/25/556788125.db2.gz XITOGOSUXKFNPZ-UHFFFAOYSA-N 0 0 439.556 4.899 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)nc(=O)c2c1C ZINC000058434220 556788168 /nfs/dbraw/zinc/78/81/68/556788168.db2.gz SVDPRXPJSIPVGF-SCRDCRAPSA-N 0 0 430.549 4.527 50 0 IJAARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccnn1Cc1ccccc1Br ZINC000058435779 556788452 /nfs/dbraw/zinc/78/84/52/556788452.db2.gz WOAMVRMOYUSOJA-UHFFFAOYSA-N 0 0 438.247 4.894 50 0 IJAARN O=C(NCc1sccc1Br)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000058767105 556791792 /nfs/dbraw/zinc/79/17/92/556791792.db2.gz PMXNNKRCTHQYLO-LBPRGKRZSA-N 0 0 436.400 4.653 50 0 IJAARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)cc1 ZINC000059251175 556795927 /nfs/dbraw/zinc/79/59/27/556795927.db2.gz GKFJBJCBLKVNRB-CYBMUJFWSA-N 0 0 437.521 4.680 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000033050495 556799990 /nfs/dbraw/zinc/79/99/90/556799990.db2.gz IYQLJVMXKXLENR-UHFFFAOYSA-N 0 0 435.524 4.987 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000002653623 556802440 /nfs/dbraw/zinc/80/24/40/556802440.db2.gz CYWUBSSKDKKQHP-NRFANRHFSA-N 0 0 429.925 4.537 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cccc3cccnc32)cc1 ZINC000002655799 556802736 /nfs/dbraw/zinc/80/27/36/556802736.db2.gz FXDHJQFNVRHOTP-UHFFFAOYSA-N 0 0 432.501 4.669 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000059592628 556802869 /nfs/dbraw/zinc/80/28/69/556802869.db2.gz XKZADBYVTHXRMU-UHFFFAOYSA-N 0 0 432.948 4.529 50 0 IJAARN Cc1cc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)ccc1Br ZINC000003235554 556806377 /nfs/dbraw/zinc/80/63/77/556806377.db2.gz OHJGWGIGGTYCOP-UHFFFAOYSA-N 0 0 434.305 4.890 50 0 IJAARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000003290399 556806928 /nfs/dbraw/zinc/80/69/28/556806928.db2.gz AETOWNJLSRNPAA-UHFFFAOYSA-N 0 0 447.516 4.861 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2ccccc2I)cc1OC ZINC000003328101 556810770 /nfs/dbraw/zinc/81/07/70/556810770.db2.gz DWGYXWZMYKLCMG-UHFFFAOYSA-N 0 0 425.266 4.731 50 0 IJAARN COc1cccc(/C=C(/C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2)c1 ZINC000003331684 556812475 /nfs/dbraw/zinc/81/24/75/556812475.db2.gz BAWKQGZCKCPICZ-FEQHDXENSA-N 0 0 427.500 4.757 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000003373215 556812965 /nfs/dbraw/zinc/81/29/65/556812965.db2.gz WVQBHBYKXXMRLN-UHFFFAOYSA-N 0 0 427.831 4.591 50 0 IJAARN Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000003354113 556813889 /nfs/dbraw/zinc/81/38/89/556813889.db2.gz WSMTVMLPFMZQJF-RUDMXATFSA-N 0 0 429.204 4.853 50 0 IJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000033059931 556816377 /nfs/dbraw/zinc/81/63/77/556816377.db2.gz GTVPZAHSJOSLSB-UHFFFAOYSA-N 0 0 430.577 4.662 50 0 IJAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1Cl ZINC000033064034 556818747 /nfs/dbraw/zinc/81/87/47/556818747.db2.gz SJVMBNLSFONPQA-UHFFFAOYSA-N 0 0 446.956 4.687 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1)c1ccccc1 ZINC000033068003 556819826 /nfs/dbraw/zinc/81/98/26/556819826.db2.gz JLFNSIRKBUNJOS-OAQYLSRUSA-N 0 0 427.504 4.714 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033068031 556820033 /nfs/dbraw/zinc/82/00/33/556820033.db2.gz RUZLOIXSCNPGMN-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1)c1ccccc1 ZINC000033067865 556820053 /nfs/dbraw/zinc/82/00/53/556820053.db2.gz GKOPEUPMYQDEBD-OAQYLSRUSA-N 0 0 427.504 4.714 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000033067944 556820278 /nfs/dbraw/zinc/82/02/78/556820278.db2.gz HPGXTCBYYQPHAS-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(Oc2cc3c(cc2NC(=O)Nc2cccc(C)c2)n(C)c(=O)n3C)cc1 ZINC000064605613 556825407 /nfs/dbraw/zinc/82/54/07/556825407.db2.gz AQRMHSQFBKZIRB-UHFFFAOYSA-N 0 0 432.480 4.630 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064661914 556825780 /nfs/dbraw/zinc/82/57/80/556825780.db2.gz QPVRGAAWOAYSOB-RUZDIDTESA-N 0 0 447.535 4.886 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064662017 556825944 /nfs/dbraw/zinc/82/59/44/556825944.db2.gz OPXPYASFFQUVDZ-AREMUKBSSA-N 0 0 443.572 4.742 50 0 IJAARN CSc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662089 556825947 /nfs/dbraw/zinc/82/59/47/556825947.db2.gz HYGGZAOZGNPBNW-QHCPKHFHSA-N 0 0 439.606 4.903 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1CCCc1ccccc1 ZINC000064662204 556826195 /nfs/dbraw/zinc/82/61/95/556826195.db2.gz PNJCGPSUXLNZLW-AREMUKBSSA-N 0 0 449.620 4.999 50 0 IJAARN CCCCNC(=O)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000064816836 556827503 /nfs/dbraw/zinc/82/75/03/556827503.db2.gz UOGPVCUMCDDJQP-UHFFFAOYSA-N 0 0 436.943 4.670 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 ZINC000064816966 556827763 /nfs/dbraw/zinc/82/77/63/556827763.db2.gz FGFXFGIRPKWKMQ-UHFFFAOYSA-N 0 0 446.576 4.815 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Br)cc3)no2)nn1-c1ccccc1 ZINC000064949546 556829312 /nfs/dbraw/zinc/82/93/12/556829312.db2.gz CVQCFHUUQUAZGQ-UHFFFAOYSA-N 0 0 445.276 4.865 50 0 IJAARN O=C(NC1CCCCC1)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002405 556830690 /nfs/dbraw/zinc/83/06/90/556830690.db2.gz NUMPHAXUMNPNHO-UHFFFAOYSA-N 0 0 432.543 4.763 50 0 IJAARN O=C(NCc1ccccc1)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002326 556830759 /nfs/dbraw/zinc/83/07/59/556830759.db2.gz OXWRHKJBRZJHQI-UHFFFAOYSA-N 0 0 440.522 4.631 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000065002919 556831283 /nfs/dbraw/zinc/83/12/83/556831283.db2.gz NIDYWPFVILUVBD-UHFFFAOYSA-N 0 0 448.588 4.629 50 0 IJAARN Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc(F)cc3F)nc21 ZINC000022997977 556838932 /nfs/dbraw/zinc/83/89/32/556838932.db2.gz XKIBOCCCWJOVFW-UHFFFAOYSA-N 0 0 445.535 4.560 50 0 IJAARN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c([C@H](O)c2ccccc2Cl)cc1OC ZINC000004647290 556848726 /nfs/dbraw/zinc/84/87/26/556848726.db2.gz DGIDEWZNJWPYEF-JOCHJYFZSA-N 0 0 447.940 4.548 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)s1 ZINC000068713275 556849496 /nfs/dbraw/zinc/84/94/96/556849496.db2.gz MYIWBJKOQDRXIL-HSZRJFAPSA-N 0 0 441.936 4.596 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1 ZINC000033071625 556852027 /nfs/dbraw/zinc/85/20/27/556852027.db2.gz VIGBUVGCOCOZLC-KRWDZBQOSA-N 0 0 426.948 4.536 50 0 IJAARN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008943339 556852924 /nfs/dbraw/zinc/85/29/24/556852924.db2.gz QSVVDTJWQQVHJL-DEOSSOPVSA-N 0 0 445.515 4.779 50 0 IJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)C2)s1 ZINC000033078257 556853296 /nfs/dbraw/zinc/85/32/96/556853296.db2.gz MGZSLOMVIZMPLL-CYBMUJFWSA-N 0 0 430.961 4.771 50 0 IJAARN CC(C)Oc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000033088343 556856152 /nfs/dbraw/zinc/85/61/52/556856152.db2.gz JCJNNNXYONMLSQ-UHFFFAOYSA-N 0 0 438.959 4.603 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033088414 556856411 /nfs/dbraw/zinc/85/64/11/556856411.db2.gz UBTSITAXDLZMBT-UHFFFAOYSA-N 0 0 439.397 4.573 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106694 556859483 /nfs/dbraw/zinc/85/94/83/556859483.db2.gz BHPHDLFGPXPVTR-UHFFFAOYSA-N 0 0 430.939 4.700 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3C)C2)s1 ZINC000033113235 556859845 /nfs/dbraw/zinc/85/98/45/556859845.db2.gz MHMNNGKOXSXMNG-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN CCc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000033113474 556860216 /nfs/dbraw/zinc/86/02/16/556860216.db2.gz CNYWVNZRXUMDJT-KRWDZBQOSA-N 0 0 435.553 4.764 50 0 IJAARN Cc1cccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000033113939 556860646 /nfs/dbraw/zinc/86/06/46/556860646.db2.gz LEJHWAILODIOSH-QGZVFWFLSA-N 0 0 437.971 4.934 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3s2)cc1 ZINC000033116475 556862062 /nfs/dbraw/zinc/86/20/62/556862062.db2.gz SLXFKKHHXGNUAF-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)o2)cc1 ZINC000033119783 556864781 /nfs/dbraw/zinc/86/47/81/556864781.db2.gz SNCFEYJBLOKUCX-KRWDZBQOSA-N 0 0 447.535 4.681 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033128116 556864969 /nfs/dbraw/zinc/86/49/69/556864969.db2.gz XPVOQCQUSKIONW-OAHLLOKOSA-N 0 0 443.956 4.631 50 0 IJAARN COC(=O)c1ccc(C)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128767 556865711 /nfs/dbraw/zinc/86/57/11/556865711.db2.gz GOOKQDKLUICKGN-UHFFFAOYSA-N 0 0 429.476 4.629 50 0 IJAARN COc1cc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)cc(OC)c1OC ZINC000033129628 556868779 /nfs/dbraw/zinc/86/87/79/556868779.db2.gz SZMWDTTYFVNPJU-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)cc1 ZINC000033130602 556870888 /nfs/dbraw/zinc/87/08/88/556870888.db2.gz DNHQHARBJLROHP-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nn1 ZINC000033130881 556871114 /nfs/dbraw/zinc/87/11/14/556871114.db2.gz BJHQHFUNWPZWAL-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN CCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138649 556872783 /nfs/dbraw/zinc/87/27/83/556872783.db2.gz QTUNJGSQJPYKGL-UHFFFAOYSA-N 0 0 441.578 4.564 50 0 IJAARN CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000011228108 556876033 /nfs/dbraw/zinc/87/60/33/556876033.db2.gz WPRCLWRTDCLONW-UHFFFAOYSA-N 0 0 431.916 4.890 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720559 556876377 /nfs/dbraw/zinc/87/63/77/556876377.db2.gz PSXJVZIJHADYKP-UHFFFAOYSA-N 0 0 425.326 4.590 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Cl)cc3F)c2cc1OC ZINC000033172802 556883062 /nfs/dbraw/zinc/88/30/62/556883062.db2.gz UUXIVCLZXFQFFW-UHFFFAOYSA-N 0 0 446.891 4.652 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C(C)C)cc3)c2cc1OC ZINC000033172782 556883066 /nfs/dbraw/zinc/88/30/66/556883066.db2.gz LGZUQUIHXWHFEP-UHFFFAOYSA-N 0 0 436.537 4.983 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1 ZINC000033173382 556883297 /nfs/dbraw/zinc/88/32/97/556883297.db2.gz SBZOPBFTBBRSFV-UHFFFAOYSA-N 0 0 426.416 4.868 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000033173868 556883937 /nfs/dbraw/zinc/88/39/37/556883937.db2.gz MDWCKYZFQJNFGH-LLVKDONJSA-N 0 0 429.489 4.547 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033173781 556884023 /nfs/dbraw/zinc/88/40/23/556884023.db2.gz DMJLBDLGZFGFTE-UHFFFAOYSA-N 0 0 435.880 4.597 50 0 IJAARN CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3cccc(Br)c3)s2)cc1 ZINC000033251763 556892287 /nfs/dbraw/zinc/89/22/87/556892287.db2.gz JHWGTWVSNCJPIH-UHFFFAOYSA-N 0 0 446.326 4.639 50 0 IJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(F)c(Cl)c4)c(C)n3)cc2)no1 ZINC000033258545 556896177 /nfs/dbraw/zinc/89/61/77/556896177.db2.gz LNQCKZPVHPPUNB-UHFFFAOYSA-N 0 0 425.851 4.838 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)c1 ZINC000033261080 556898530 /nfs/dbraw/zinc/89/85/30/556898530.db2.gz JQVCSVDVMZBLIA-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN O=C(CSCc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1)NCc1ccc(F)cc1 ZINC000033262391 556900629 /nfs/dbraw/zinc/90/06/29/556900629.db2.gz CNZFOMMONOTGTC-UHFFFAOYSA-N 0 0 441.459 4.824 50 0 IJAARN COc1ccc(CCN2C(=O)O[C@](C)(CC(C)(C)c3ccccc3)[C@]2(C)O)cc1OC ZINC000004727312 556901631 /nfs/dbraw/zinc/90/16/31/556901631.db2.gz SVSSBZAQWDRMDK-RPBOFIJWSA-N 0 0 427.541 4.534 50 0 IJAARN COC(=O)C[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000019808447 556918366 /nfs/dbraw/zinc/91/83/66/556918366.db2.gz ZWHOCWBKIZUKFK-XPEQFSOGSA-N 0 0 436.527 4.820 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3/C(=C\NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019820051 556923294 /nfs/dbraw/zinc/92/32/94/556923294.db2.gz OLCLXMZHKQZWER-JJIBRWJFSA-N 0 0 437.499 4.537 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)c1 ZINC000019823928 556925344 /nfs/dbraw/zinc/92/53/44/556925344.db2.gz AGMVEWSGISMDFK-UHFFFAOYSA-N 0 0 435.505 4.828 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccco2)cc1 ZINC000019824480 556925708 /nfs/dbraw/zinc/92/57/08/556925708.db2.gz USJWFUHYZWTYAX-UHFFFAOYSA-N 0 0 438.484 4.796 50 0 IJAARN Fc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn43)[nH]n2)cc1 ZINC000019827301 556925822 /nfs/dbraw/zinc/92/58/22/556925822.db2.gz YIILAZOPNXRRMH-UHFFFAOYSA-N 0 0 426.864 4.614 50 0 IJAARN O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000019840601 556929512 /nfs/dbraw/zinc/92/95/12/556929512.db2.gz NWHIFAHFCOCWBT-HXUWFJFHSA-N 0 0 431.363 4.709 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859663 556932092 /nfs/dbraw/zinc/93/20/92/556932092.db2.gz UIWOZCMINPITKI-GOSISDBHSA-N 0 0 442.968 4.674 50 0 IJAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1sc2cccc(Cl)c2c1Cl ZINC000019902042 556942352 /nfs/dbraw/zinc/94/23/52/556942352.db2.gz ZSBFHMGVORNFRG-ZDUSSCGKSA-N 0 0 425.337 4.604 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccc(OC(F)F)cc1)N1CCOCC1)CCCC2 ZINC000019938415 556952676 /nfs/dbraw/zinc/95/26/76/556952676.db2.gz CXEQWULPHNOXAL-HXUWFJFHSA-N 0 0 436.524 4.608 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@H](c1ccc(OC(F)F)cc1)N1CCOCC1)CCCC2 ZINC000019938414 556952689 /nfs/dbraw/zinc/95/26/89/556952689.db2.gz CXEQWULPHNOXAL-FQEVSTJZSA-N 0 0 436.524 4.608 50 0 IJAARN CC[C@@H](NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1)c1ccc(OC)cc1 ZINC000033264377 556974019 /nfs/dbraw/zinc/97/40/19/556974019.db2.gz VDHBGKTVFSZSSK-ISKFKSNPSA-N 0 0 437.584 4.874 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4C)ccc3[nH]2)cc1 ZINC000033264811 556974821 /nfs/dbraw/zinc/97/48/21/556974821.db2.gz ZMTIPYOGCDWISZ-UHFFFAOYSA-N 0 0 426.520 4.545 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)NC2CCCCCC2)c1C ZINC000004728649 556976068 /nfs/dbraw/zinc/97/60/68/556976068.db2.gz NPEOXNLDNUINBL-UHFFFAOYSA-N 0 0 426.557 4.878 50 0 IJAARN CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103516 556981033 /nfs/dbraw/zinc/98/10/33/556981033.db2.gz WUQSUPVHZHDFBN-HSZRJFAPSA-N 0 0 439.519 4.671 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1Cl ZINC000020103558 556981082 /nfs/dbraw/zinc/98/10/82/556981082.db2.gz YNADBAOJFUDMRQ-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCc1cccs1 ZINC000096865416 556983880 /nfs/dbraw/zinc/98/38/80/556983880.db2.gz YKZUWDFQTNURAQ-VCHYOVAHSA-N 0 0 449.484 4.799 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)c1 ZINC000023042842 556985551 /nfs/dbraw/zinc/98/55/51/556985551.db2.gz ZLHUOJHCWNIRLP-CYBMUJFWSA-N 0 0 439.928 4.602 50 0 IJAARN Cc1ccc(CCNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000033268966 556986695 /nfs/dbraw/zinc/98/66/95/556986695.db2.gz BDWTXJRMLHPYIS-UHFFFAOYSA-N 0 0 434.540 4.603 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000097104882 556987626 /nfs/dbraw/zinc/98/76/26/556987626.db2.gz ILYGWZHXOMNZFS-SFHVURJKSA-N 0 0 431.311 4.582 50 0 IJAARN CCCNc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000097108775 556989735 /nfs/dbraw/zinc/98/97/35/556989735.db2.gz OGNFHBFSDMVXNS-UHFFFAOYSA-N 0 0 433.508 4.787 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)COCc1cc(-c3cccs3)on1)CCCC2 ZINC000020168342 556994278 /nfs/dbraw/zinc/99/42/78/556994278.db2.gz GPHHVYSLTJUWDV-UHFFFAOYSA-N 0 0 446.550 4.675 50 0 IJAARN C=C1C(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)=C(C)N(C)N1c1ccccc1 ZINC000020175648 556995097 /nfs/dbraw/zinc/99/50/97/556995097.db2.gz BNPUOOWOZFHYHA-UHFFFAOYSA-N 0 0 437.540 4.725 50 0 biogenic,in-vitro IJAARN Cn1c(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)nnc1-c1cc2ccccc2o1 ZINC000010675235 556995184 /nfs/dbraw/zinc/99/51/84/556995184.db2.gz KNRKVUOZFPUZSH-UHFFFAOYSA-N 0 0 436.537 4.962 50 0 IJAARN COc1ccccc1[C@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000020345702 557008663 /nfs/dbraw/zinc/00/86/63/557008663.db2.gz INECUPANMLATPL-DEOSSOPVSA-N 0 0 443.551 4.550 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1 ZINC000045991798 557017271 /nfs/dbraw/zinc/01/72/71/557017271.db2.gz QHBSMEDEKISZHD-GOSISDBHSA-N 0 0 428.492 4.646 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045992006 557017661 /nfs/dbraw/zinc/01/76/61/557017661.db2.gz FPIMPFFQBOFWJH-KRWDZBQOSA-N 0 0 430.508 4.748 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cccc(OC)c1)cc2-c1ccccc1 ZINC000045992222 557017936 /nfs/dbraw/zinc/01/79/36/557017936.db2.gz GOVTWMWFZMABTG-KRWDZBQOSA-N 0 0 430.508 4.841 50 0 IJAARN Cn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1cccs1 ZINC000010709474 557019477 /nfs/dbraw/zinc/01/94/77/557019477.db2.gz CVGMAXBZGGXFMO-UHFFFAOYSA-N 0 0 431.543 4.537 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1 ZINC000046016982 557020178 /nfs/dbraw/zinc/02/01/78/557020178.db2.gz QBZRNHVFHPLCFJ-HXUWFJFHSA-N 0 0 449.576 4.644 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)c1C ZINC000046046125 557025722 /nfs/dbraw/zinc/02/57/22/557025722.db2.gz RRTCHGQYVMYCJE-UHFFFAOYSA-N 0 0 445.563 4.895 50 0 IJAARN COc1ccccc1C(=O)c1cn(Cc2ccc(F)cc2Cl)c2nc(C)ccc2c1=O ZINC000046053790 557027081 /nfs/dbraw/zinc/02/70/81/557027081.db2.gz FIGFRQGKKANQRW-UHFFFAOYSA-N 0 0 436.870 4.785 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C\c4ccccc4)CC3)cc2)c1 ZINC000098028406 557031640 /nfs/dbraw/zinc/03/16/40/557031640.db2.gz RBIUGVCILVPNPO-GDNBJRDFSA-N 0 0 425.532 4.609 50 0 IJAARN CN(CCc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077534 557033270 /nfs/dbraw/zinc/03/32/70/557033270.db2.gz ZIOBKXFJQDUAMS-UHFFFAOYSA-N 0 0 442.924 4.561 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000046078477 557033521 /nfs/dbraw/zinc/03/35/21/557033521.db2.gz GXKSGMGVDZSBOI-UHFFFAOYSA-N 0 0 428.488 4.709 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000046078717 557033846 /nfs/dbraw/zinc/03/38/46/557033846.db2.gz VAWZPYYHKQJAOR-UHFFFAOYSA-N 0 0 428.488 4.627 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000046079737 557035068 /nfs/dbraw/zinc/03/50/68/557035068.db2.gz UNYKMRUKTGZTAX-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000017201216 557041145 /nfs/dbraw/zinc/04/11/45/557041145.db2.gz QZARVQZYDBGJDQ-UHFFFAOYSA-N 0 0 426.881 4.561 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2)CC1 ZINC000017246076 557044597 /nfs/dbraw/zinc/04/45/97/557044597.db2.gz QOILOGLGNSSRQE-UHFFFAOYSA-N 0 0 449.985 4.623 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000051357551 557045003 /nfs/dbraw/zinc/04/50/03/557045003.db2.gz XBPOJKCFGPRSQJ-UHFFFAOYSA-N 0 0 447.535 4.932 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(CC(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000048229806 557048744 /nfs/dbraw/zinc/04/87/44/557048744.db2.gz FAUGQDCBDHYKQZ-UHFFFAOYSA-N 0 0 445.563 4.904 50 0 IJAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCC4)s3)c2C)c1 ZINC000033273852 557052098 /nfs/dbraw/zinc/05/20/98/557052098.db2.gz YTIWYVJJPFBNQN-UHFFFAOYSA-N 0 0 427.599 4.792 50 0 IJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(F)c(Cl)c4)c(C)n3)c2)no1 ZINC000033275291 557053882 /nfs/dbraw/zinc/05/38/82/557053882.db2.gz KCNXWYDYQIRJSM-UHFFFAOYSA-N 0 0 425.851 4.892 50 0 IJAARN CN(CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@H](c1ccccc1)c1ccccn1 ZINC000048275736 557056102 /nfs/dbraw/zinc/05/61/02/557056102.db2.gz JMRCVNLLTVWFFX-SANWMBSTSA-N 0 0 434.584 4.587 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c(C)o1 ZINC000017316128 557056881 /nfs/dbraw/zinc/05/68/81/557056881.db2.gz ZBBOMOJWAMDAJK-UHFFFAOYSA-N 0 0 440.503 4.882 50 0 IJAARN Cc1cccc2c(=O)n(C3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)cnc12 ZINC000033278456 557060183 /nfs/dbraw/zinc/06/01/83/557060183.db2.gz SVOGCHGRRYBJDJ-UHFFFAOYSA-N 0 0 430.430 4.593 50 0 IJAARN Cc1sc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1cccc2ccccc21 ZINC000033278859 557060772 /nfs/dbraw/zinc/06/07/72/557060772.db2.gz KTASEBOOHZOLAS-UHFFFAOYSA-N 0 0 442.606 4.956 50 0 IJAARN COc1ccc(CN2CCc3nc(SCc4c(C)cc(C)cc4C)[nH]c(=O)c3C2)cc1 ZINC000033287257 557064142 /nfs/dbraw/zinc/06/41/42/557064142.db2.gz LJHNFJYIRSAXBX-UHFFFAOYSA-N 0 0 435.593 4.967 50 0 IJAARN Cc1c(-c2ccccc2)sc(NC(=O)Cc2ccccc2C)c1C(=O)N1CCOCC1 ZINC000023119339 557064800 /nfs/dbraw/zinc/06/48/00/557064800.db2.gz DWZIDGQWDCYGAY-UHFFFAOYSA-N 0 0 434.561 4.686 50 0 IJAARN O=C(Nc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1)c1ccc(Br)o1 ZINC000048324567 557065264 /nfs/dbraw/zinc/06/52/64/557065264.db2.gz QABUFMUNQHNUCK-MRXNPFEDSA-N 0 0 441.281 4.548 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033288401 557065549 /nfs/dbraw/zinc/06/55/49/557065549.db2.gz LTXPPYAECWXOOG-HXUWFJFHSA-N 0 0 446.576 4.994 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCCOc1ccccc1Cl ZINC000023128382 557065812 /nfs/dbraw/zinc/06/58/12/557065812.db2.gz YTRQXIAFEWXSLY-UYRXBGFRSA-N 0 0 432.929 4.725 50 0 IJAARN COc1ccc2oc(-c3csc(NC(=O)c4cc(OC)c(OC)c(OC)c4)n3)cc2c1 ZINC000010882485 557067620 /nfs/dbraw/zinc/06/76/20/557067620.db2.gz ZBKQIGJZZICLJW-UHFFFAOYSA-N 0 0 440.477 4.843 50 0 IJAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)c(Cl)c4)C3)n2)cc1 ZINC000033289774 557071215 /nfs/dbraw/zinc/07/12/15/557071215.db2.gz LUVPULKETZLFMP-INIZCTEOSA-N 0 0 442.878 4.507 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)no2)cc1 ZINC000033289913 557071787 /nfs/dbraw/zinc/07/17/87/557071787.db2.gz UBJDAEWEAZCPPM-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccccc3Cl)n2)c(OC)c1 ZINC000023186801 557071858 /nfs/dbraw/zinc/07/18/58/557071858.db2.gz LHOPRFXGNQIEKL-ZDUSSCGKSA-N 0 0 431.945 4.770 50 0 IJAARN COc1cc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc(OC)c1 ZINC000033296684 557072528 /nfs/dbraw/zinc/07/25/28/557072528.db2.gz GBZYQXCAATWIOS-UHFFFAOYSA-N 0 0 434.496 4.529 50 0 IJAARN CNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)s2)C(C)C)cc1 ZINC000048355865 557074267 /nfs/dbraw/zinc/07/42/67/557074267.db2.gz RURVKQJBPDCOFC-UHFFFAOYSA-N 0 0 446.569 4.513 50 0 IJAARN O=C(CSc1ncnc2c3cc(Br)ccc3[nH]c21)Nc1ccc(F)cc1 ZINC000033298691 557074598 /nfs/dbraw/zinc/07/45/98/557074598.db2.gz HQNLUWPRSILZCR-UHFFFAOYSA-N 0 0 431.290 4.744 50 0 IJAARN COc1ccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1 ZINC000033299341 557077654 /nfs/dbraw/zinc/07/76/54/557077654.db2.gz BLNRYMHMSBAIJD-UHFFFAOYSA-N 0 0 446.472 4.526 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(CC)c2)cc1 ZINC000048990998 557080521 /nfs/dbraw/zinc/08/05/21/557080521.db2.gz MKYUJPUCOSYUEC-UHFFFAOYSA-N 0 0 444.578 4.787 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@]1(C)CC1(Cl)Cl)CC2 ZINC000023260266 557080897 /nfs/dbraw/zinc/08/08/97/557080897.db2.gz SDLJZYLCKFZZOU-HKUYNNGSSA-N 0 0 426.365 4.823 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)c1 ZINC000049005485 557084638 /nfs/dbraw/zinc/08/46/38/557084638.db2.gz RHMNEMKBPWBVDG-UHFFFAOYSA-N 0 0 432.524 4.731 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)c(OC)c1 ZINC000033308218 557088222 /nfs/dbraw/zinc/08/82/22/557088222.db2.gz JRCUAHLLSRVADI-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CCCn3cnc(-c4ccc(F)cc4)cc3=O)c2)cs1 ZINC000049028207 557088595 /nfs/dbraw/zinc/08/85/95/557088595.db2.gz MQIJOWBDQGOYIS-UHFFFAOYSA-N 0 0 448.523 4.900 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000049030375 557088955 /nfs/dbraw/zinc/08/89/55/557088955.db2.gz JNJZCHXCQHYHEG-SFHVURJKSA-N 0 0 442.943 4.913 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000049030443 557089314 /nfs/dbraw/zinc/08/93/14/557089314.db2.gz SHNOCZNRCPOOLR-MRXNPFEDSA-N 0 0 429.904 4.770 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(C)cc4F)CC3=O)c2)c1 ZINC000033308654 557089477 /nfs/dbraw/zinc/08/94/77/557089477.db2.gz DAFQREZUYMWNFY-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCc3ccc(F)cc3Cl)c2-c2cccnc2)c1 ZINC000049003755 557091803 /nfs/dbraw/zinc/09/18/03/557091803.db2.gz ZJCAEHOUXCAPPG-UHFFFAOYSA-N 0 0 435.890 4.614 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN2C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000033310870 557094232 /nfs/dbraw/zinc/09/42/32/557094232.db2.gz IOBAJTHJIUIROL-QGZVFWFLSA-N 0 0 434.458 4.527 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)c1)N1CCCCC1 ZINC000033311219 557094891 /nfs/dbraw/zinc/09/48/91/557094891.db2.gz HRAVFDWVCTZBIG-QFIPXVFZSA-N 0 0 446.591 4.662 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1)N1CCCC1 ZINC000033311423 557095600 /nfs/dbraw/zinc/09/56/00/557095600.db2.gz XQBMIWKVCRBLIV-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000033311965 557096240 /nfs/dbraw/zinc/09/62/40/557096240.db2.gz GWJIFXCANQZZBM-HXUWFJFHSA-N 0 0 430.552 4.623 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000023540998 557096837 /nfs/dbraw/zinc/09/68/37/557096837.db2.gz SPAYAIQOIDSVBN-UHFFFAOYSA-N 0 0 428.851 4.680 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000049401856 557097362 /nfs/dbraw/zinc/09/73/62/557097362.db2.gz SZWOHJJDILLQBG-UHFFFAOYSA-N 0 0 440.906 4.594 50 0 IJAARN Cc1ccc(CSc2nc(CC(=O)NCc3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)cc1 ZINC000033313187 557098236 /nfs/dbraw/zinc/09/82/36/557098236.db2.gz NQMWPTNIRJSFSW-UHFFFAOYSA-N 0 0 447.482 4.661 50 0 IJAARN O=C(CSc1cc(-c2nc(C3CC3)no2)ccn1)Nc1cccc(Br)c1 ZINC000049405444 557100656 /nfs/dbraw/zinc/10/06/56/557100656.db2.gz OQHIEFSKLOZCPE-UHFFFAOYSA-N 0 0 431.315 4.502 50 0 IJAARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1nccs1 ZINC000072191648 557100829 /nfs/dbraw/zinc/10/08/29/557100829.db2.gz DQBYAQPYODZPPN-ZDUSSCGKSA-N 0 0 436.006 4.754 50 0 IJAARN Cc1cccc(OCC(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)c1 ZINC000033320587 557103538 /nfs/dbraw/zinc/10/35/38/557103538.db2.gz KYXPZFLFRXSYPX-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN O=C(Cc1cccc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147538 557104881 /nfs/dbraw/zinc/10/48/81/557104881.db2.gz IHRZOTXJMCVJOL-UHFFFAOYSA-N 0 0 437.543 4.545 50 0 IJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(C)cc3)n2)cc1 ZINC000033324977 557107021 /nfs/dbraw/zinc/10/70/21/557107021.db2.gz CDMGXWOGJPOWIJ-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325440 557107561 /nfs/dbraw/zinc/10/75/61/557107561.db2.gz BJGKCFXGIFJNBE-KRWDZBQOSA-N 0 0 443.594 4.521 50 0 IJAARN COc1ccc(CNc2c3cc(OC)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000049421531 557108195 /nfs/dbraw/zinc/10/81/95/557108195.db2.gz LYEZDDKNRSXTLE-UHFFFAOYSA-N 0 0 434.517 4.697 50 0 IJAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)c1 ZINC000049421832 557108681 /nfs/dbraw/zinc/10/86/81/557108681.db2.gz ZRTBKZHJTVRKBI-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)c1 ZINC000049422196 557109241 /nfs/dbraw/zinc/10/92/41/557109241.db2.gz NZJLPKBVRRXTMS-UHFFFAOYSA-N 0 0 428.467 4.884 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000023221360 557115349 /nfs/dbraw/zinc/11/53/49/557115349.db2.gz KSWPTQOLNKOKEF-JTQLQIEISA-N 0 0 426.972 4.685 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000033331682 557115405 /nfs/dbraw/zinc/11/54/05/557115405.db2.gz WIBIXWOZEUVQNY-QHCPKHFHSA-N 0 0 441.984 4.830 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(F)cc1 ZINC000023777808 557115622 /nfs/dbraw/zinc/11/56/22/557115622.db2.gz QIEOSYFJKPYGPH-JOCHJYFZSA-N 0 0 449.507 4.578 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c12 ZINC000014900858 557119136 /nfs/dbraw/zinc/11/91/36/557119136.db2.gz BHNZKNHKPAPYLK-UHFFFAOYSA-N 0 0 449.898 4.569 50 0 IJAARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2OC(F)F)n2c3ccccc3nc2N1 ZINC000004787003 557119477 /nfs/dbraw/zinc/11/94/77/557119477.db2.gz VAJJXPFZDNRUGH-OAQYLSRUSA-N 0 0 438.478 4.939 50 0 IJAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004787062 557119666 /nfs/dbraw/zinc/11/96/66/557119666.db2.gz BMOZRXAWPVJNGG-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(OC)cc3)cc21 ZINC000000623811 557121677 /nfs/dbraw/zinc/12/16/77/557121677.db2.gz YYQMAYMOKDVBKA-UHFFFAOYSA-N 0 0 433.254 4.561 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)NCCC3=CCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799720 557127127 /nfs/dbraw/zinc/12/71/27/557127127.db2.gz XCSPYCRZVXQNDO-RSXGOPAZSA-N 0 0 448.563 4.805 50 0 IJAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@@H]3c3nc4ccccc4s3)C2=O)cc1 ZINC000023955595 557127335 /nfs/dbraw/zinc/12/73/35/557127335.db2.gz MFIAJOLUGWMDTA-CJFMBICVSA-N 0 0 448.592 4.981 50 0 IJAARN COc1ccc(N2C(=O)C[C@H](C(=O)NCCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004800213 557127418 /nfs/dbraw/zinc/12/74/18/557127418.db2.gz GZNMLKKBCBFIST-ZCYQVOJMSA-N 0 0 436.527 4.935 50 0 IJAARN COc1ccc(N2C(=O)C[C@@H](C(=O)NCCC3=CCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004800206 557127430 /nfs/dbraw/zinc/12/74/30/557127430.db2.gz GZNMLKKBCBFIST-ILBGXUMGSA-N 0 0 436.527 4.935 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(Cc5cccs5)CC4)cc3)o2)cc1 ZINC000023968516 557128324 /nfs/dbraw/zinc/12/83/24/557128324.db2.gz SWOMKZUZACSGGF-UHFFFAOYSA-N 0 0 444.560 4.732 50 0 IJAARN COc1ccc(CN(C)C(=O)c2cc(Br)c(Br)s2)c(OC)c1 ZINC000017919234 557128668 /nfs/dbraw/zinc/12/86/68/557128668.db2.gz SYPYCWLQYBJXOC-UHFFFAOYSA-N 0 0 449.164 4.563 50 0 IJAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000023982817 557129424 /nfs/dbraw/zinc/12/94/24/557129424.db2.gz SRKXUTBUIRRJTN-FQEVSTJZSA-N 0 0 447.560 4.668 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000017945975 557129810 /nfs/dbraw/zinc/12/98/10/557129810.db2.gz CCQPZMHVIORRKE-IBGZPJMESA-N 0 0 437.971 4.976 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3n2)cc1 ZINC000000661492 557130913 /nfs/dbraw/zinc/13/09/13/557130913.db2.gz DWSQPFFKZLLMQK-UHFFFAOYSA-N 0 0 435.505 4.824 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000000683441 557135167 /nfs/dbraw/zinc/13/51/67/557135167.db2.gz QNMMBUGEYGKUPS-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(I)cc2F)cc(C)c1Cl ZINC000002890413 557135251 /nfs/dbraw/zinc/13/52/51/557135251.db2.gz CYSBGMHKFNHDGC-UHFFFAOYSA-N 0 0 433.648 4.718 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000003457669 557137639 /nfs/dbraw/zinc/13/76/39/557137639.db2.gz DZFUELBMUBGLLL-CQSZACIVSA-N 0 0 442.516 4.588 50 0 IJAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024366616 557145399 /nfs/dbraw/zinc/14/53/99/557145399.db2.gz WDWNNUCZJVJSFX-UHFFFAOYSA-N 0 0 427.313 4.785 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000000716765 557148018 /nfs/dbraw/zinc/14/80/18/557148018.db2.gz VWNPHWYTQBMLMX-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN CC(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C(C)C)c1 ZINC000011451210 557150195 /nfs/dbraw/zinc/15/01/95/557150195.db2.gz GIZAUZOELKNRHV-UHFFFAOYSA-N 0 0 434.627 4.578 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)cc1 ZINC000024574492 557151470 /nfs/dbraw/zinc/15/14/70/557151470.db2.gz QFTDOKRMUQVISF-UHFFFAOYSA-N 0 0 425.488 4.919 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(Cc4ccccn4)CC3)o2)cc1 ZINC000024579606 557151849 /nfs/dbraw/zinc/15/18/49/557151849.db2.gz ZHVKWSUQDYCYCC-UHFFFAOYSA-N 0 0 438.531 4.670 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610591 557154797 /nfs/dbraw/zinc/15/47/97/557154797.db2.gz YMKSMJBRDNTUNM-UHFFFAOYSA-N 0 0 442.968 4.674 50 0 IJAARN CCc1nc(COC(=O)c2ccc(C)c(S(=O)(=O)N(CC)c3ccccc3)c2)cs1 ZINC000023296042 557155498 /nfs/dbraw/zinc/15/54/98/557155498.db2.gz RYSJQYGOTJLJRO-UHFFFAOYSA-N 0 0 444.578 4.586 50 0 IJAARN Cc1cc(COC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)no1 ZINC000011518069 557156726 /nfs/dbraw/zinc/15/67/26/557156726.db2.gz LVEQUTZLLUYAGC-UHFFFAOYSA-N 0 0 442.450 4.939 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC(C(=O)Nc2ccncc2)CC1 ZINC000024702205 557159044 /nfs/dbraw/zinc/15/90/44/557159044.db2.gz IEMPJCDAOQYQNK-UHFFFAOYSA-N 0 0 449.938 4.658 50 0 IJAARN COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccc3)cs2)[C@]1(O)C(F)(F)F ZINC000016957593 557159169 /nfs/dbraw/zinc/15/91/69/557159169.db2.gz WHSPSQBXFFKVHF-LAUBAEHRSA-N 0 0 445.466 4.856 50 0 IJAARN CCn1cc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c(=O)c2ccc(C)nc21 ZINC000206993440 557169222 /nfs/dbraw/zinc/16/92/22/557169222.db2.gz TXOQKZZNKXRXNC-FQEVSTJZSA-N 0 0 441.984 4.699 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000024830261 557170141 /nfs/dbraw/zinc/17/01/41/557170141.db2.gz UTEUWJANSDGRJA-OAQYLSRUSA-N 0 0 433.533 4.669 50 0 IJAARN COc1cccc(-c2nnc(SCc3noc(C(C)(C)C)n3)n2Cc2ccco2)c1 ZINC000024843633 557173814 /nfs/dbraw/zinc/17/38/14/557173814.db2.gz GHGZBVZIUJEUHF-UHFFFAOYSA-N 0 0 425.514 4.568 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)C1CCCCC1 ZINC000000778404 557173876 /nfs/dbraw/zinc/17/38/76/557173876.db2.gz MCNXKOZCKYJGKP-UHFFFAOYSA-N 0 0 430.526 4.623 50 0 IJAARN CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000000779469 557174667 /nfs/dbraw/zinc/17/46/67/557174667.db2.gz NEEMVQPGLUOCMI-QHCPKHFHSA-N 0 0 445.515 4.909 50 0 biogenic IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010970563 557182127 /nfs/dbraw/zinc/18/21/27/557182127.db2.gz ADEFYHIUSQQRGU-UHFFFAOYSA-N 0 0 432.549 4.699 50 0 IJAARN Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000011635161 557217475 /nfs/dbraw/zinc/21/74/75/557217475.db2.gz FEDGLHUVUQAWEC-UHFFFAOYSA-N 0 0 439.556 4.974 50 0 IJAARN COC(=O)c1occc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000024973437 557184381 /nfs/dbraw/zinc/18/43/81/557184381.db2.gz JECSJTWDXJVZJK-UHFFFAOYSA-N 0 0 429.885 4.912 50 0 IJAARN CCCCc1noc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)n1 ZINC000024978186 557184910 /nfs/dbraw/zinc/18/49/10/557184910.db2.gz YLNXIEUEJOQOTI-UHFFFAOYSA-N 0 0 435.509 4.681 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)ccc2ccccc21 ZINC000009306052 557186135 /nfs/dbraw/zinc/18/61/35/557186135.db2.gz CSQCXXFCCJYJKZ-JXFKEZNVSA-N 0 0 438.597 4.643 50 0 IJAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n32)c(C)c1 ZINC000024987744 557186736 /nfs/dbraw/zinc/18/67/36/557186736.db2.gz OXUPBSSUGJXQIR-INIZCTEOSA-N 0 0 433.537 4.637 50 0 IJAARN COc1ccc2nc(NC(=O)CSc3nnc(-c4ccco4)n3CC(C)C)sc2c1 ZINC000009329082 557187470 /nfs/dbraw/zinc/18/74/70/557187470.db2.gz PPLLUCXPXAQNCP-UHFFFAOYSA-N 0 0 443.554 4.543 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1OC ZINC000009426893 557188821 /nfs/dbraw/zinc/18/88/21/557188821.db2.gz RRLBLRNUBGTGDL-UHFFFAOYSA-N 0 0 429.517 4.732 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000025011417 557189235 /nfs/dbraw/zinc/18/92/35/557189235.db2.gz IPUXWEVIPXBBLO-UHFFFAOYSA-N 0 0 429.977 4.775 50 0 IJAARN Cc1nn(CCC(=O)N[C@H](C)c2ccccc2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000025049170 557190903 /nfs/dbraw/zinc/19/09/03/557190903.db2.gz BTRZGNKOTAIJTH-WOJBJXKFSA-N 0 0 446.595 4.577 50 0 IJAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100873700 557196417 /nfs/dbraw/zinc/19/64/17/557196417.db2.gz WNOQRJVOUAPGFJ-XDOYNYLZSA-N 0 0 449.370 4.642 50 0 IJAARN CN1c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2OCC(C)(C)C1=O ZINC000010971840 557197314 /nfs/dbraw/zinc/19/73/14/557197314.db2.gz ZHZCLYVQJOPBQB-UHFFFAOYSA-N 0 0 437.721 4.736 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096317068 557198751 /nfs/dbraw/zinc/19/87/51/557198751.db2.gz KOOCXPIAMPDTSU-QGZVFWFLSA-N 0 0 436.531 4.584 50 0 IJAARN O=C(C1CC1)N1CCCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccccc32)CC1 ZINC000096499455 557201530 /nfs/dbraw/zinc/20/15/30/557201530.db2.gz MSNCLIDKQAZSAM-UHFFFAOYSA-N 0 0 429.442 4.834 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025325046 557203892 /nfs/dbraw/zinc/20/38/92/557203892.db2.gz WDCQCTMEKBRVHF-IRLDBZIGSA-N 0 0 441.531 4.561 50 0 IJAARN O=C(c1c(Cl)nc2sccn21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025326165 557204144 /nfs/dbraw/zinc/20/41/44/557204144.db2.gz KMRLAEDGWNPRIZ-UHFFFAOYSA-N 0 0 436.968 4.597 50 0 IJAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000010985912 557211465 /nfs/dbraw/zinc/21/14/65/557211465.db2.gz QDWRMQVUCVSEST-QGZVFWFLSA-N 0 0 449.580 4.779 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)cc1OC ZINC000025618700 557219650 /nfs/dbraw/zinc/21/96/50/557219650.db2.gz GIIYPSXZDVPKEK-HNNXBMFYSA-N 0 0 426.494 4.588 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccc3c(c1)OCO3)CC2 ZINC000025713327 557222988 /nfs/dbraw/zinc/22/29/88/557222988.db2.gz XFXKLIGKHAVBTJ-KFVWQZTJSA-N 0 0 443.499 4.620 50 0 IJAARN COC(=O)c1cc(Br)ccc1Oc1ccc(Br)cc1C(=O)OC ZINC000097756701 557223812 /nfs/dbraw/zinc/22/38/12/557223812.db2.gz MHNXNUOPGXGIEE-UHFFFAOYSA-N 0 0 444.075 4.577 50 0 IJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000025783015 557225700 /nfs/dbraw/zinc/22/57/00/557225700.db2.gz DTWIAOWCRRLBAN-HFZDXXHNSA-N 0 0 446.503 4.963 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1)[C@H]1CCCO1 ZINC000025904543 557230113 /nfs/dbraw/zinc/23/01/13/557230113.db2.gz JPEJSBOJYBCZQL-FYYLOGMGSA-N 0 0 432.545 4.654 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SC[C@@H]3CCCO3)CC2)cc1 ZINC000025917470 557230121 /nfs/dbraw/zinc/23/01/21/557230121.db2.gz QMHBSLASZNZXPF-NRFANRHFSA-N 0 0 439.577 4.701 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000024926456 557231213 /nfs/dbraw/zinc/23/12/13/557231213.db2.gz VGPJZECVASDQJG-QMMMGPOBSA-N 0 0 428.695 4.620 50 0 IJAARN COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000011693338 557232260 /nfs/dbraw/zinc/23/22/60/557232260.db2.gz WKHZIEKTIODBFT-UHFFFAOYSA-N 0 0 432.307 4.645 50 0 IJAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000026120963 557235143 /nfs/dbraw/zinc/23/51/43/557235143.db2.gz FTHGTCLIIZZABT-UHFFFAOYSA-N 0 0 434.584 4.874 50 0 IJAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000002488051 557237885 /nfs/dbraw/zinc/23/78/85/557237885.db2.gz MFYQVQPXLDWBJP-QFIPXVFZSA-N 0 0 430.342 4.574 50 0 IJAARN COc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000100076131 557239974 /nfs/dbraw/zinc/23/99/74/557239974.db2.gz WIERCMHDCXKINJ-GJZGRUSLSA-N 0 0 447.318 4.934 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N(C)C2CCCCC2)c1C ZINC000013987882 557242599 /nfs/dbraw/zinc/24/25/99/557242599.db2.gz TWJBIAZWAKICQW-UHFFFAOYSA-N 0 0 435.593 4.886 50 0 IJAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(F)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000026545104 557244455 /nfs/dbraw/zinc/24/44/55/557244455.db2.gz SOCNFSMYAQQVLS-RYUDHWBXSA-N 0 0 425.287 4.634 50 0 IJAARN CCc1cccc(CC)c1-n1c(N)c(C(=O)NCc2ccccc2OC)sc1=S ZINC000032952342 557249638 /nfs/dbraw/zinc/24/96/38/557249638.db2.gz IJFXDXTYXZSENE-UHFFFAOYSA-N 0 0 427.595 4.914 50 0 IJAARN CCO[P@@](=O)(c1ccccc1)[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000026962954 557252473 /nfs/dbraw/zinc/25/24/73/557252473.db2.gz MWFYWIUBMVSTSX-QMTYFTJSSA-N 0 0 438.650 4.892 50 0 IJAARN O=C(N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000390829318 557253297 /nfs/dbraw/zinc/25/32/97/557253297.db2.gz DNLNJPPYAYZZJF-NRFANRHFSA-N 0 0 449.975 4.679 50 0 IJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000101096123 557254285 /nfs/dbraw/zinc/25/42/85/557254285.db2.gz JULJUDHZODYJEV-UHFFFAOYSA-N 0 0 431.876 4.930 50 0 IJAARN CC1CCN(C(=O)C2CCN(C(=O)c3csc(Nc4ccccc4Cl)n3)CC2)CC1 ZINC000027117492 557257286 /nfs/dbraw/zinc/25/72/86/557257286.db2.gz WANVHYNJUGPYIV-UHFFFAOYSA-N 0 0 447.004 4.651 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000032953529 557259858 /nfs/dbraw/zinc/25/98/58/557259858.db2.gz DORWOHYOCZSYLT-UHFFFAOYSA-N 0 0 446.576 4.919 50 0 IJAARN CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(OC)cc2)cc1 ZINC000032953642 557260632 /nfs/dbraw/zinc/26/06/32/557260632.db2.gz XCBNZFKCRDFCOK-UHFFFAOYSA-N 0 0 432.549 4.530 50 0 IJAARN Cc1ccc(F)c(NC(=O)c2cc(Br)ccc2I)c1 ZINC000027396792 557261871 /nfs/dbraw/zinc/26/18/71/557261871.db2.gz QJQJDWMYXPDECP-UHFFFAOYSA-N 0 0 434.046 4.754 50 0 IJAARN CCC1CCC(N(C(=O)Cc2nc3nc(C)cc(C)n3n2)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072269946 557262173 /nfs/dbraw/zinc/26/21/73/557262173.db2.gz KSKVQOUMWXGESH-FLPIEVNYSA-N 0 0 437.563 4.981 50 0 IJAARN COc1cc(-c2c(NC(=O)CC(C)C)oc3c(C)cccc3c2=O)cc(OC)c1OC ZINC000101192262 557263413 /nfs/dbraw/zinc/26/34/13/557263413.db2.gz FBOFPPXSAJWKPN-UHFFFAOYSA-N 0 0 425.481 4.779 50 0 biogenic IJAARN COc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1OC ZINC000027662682 557269189 /nfs/dbraw/zinc/26/91/89/557269189.db2.gz TXIKAJPQAVPQGP-UHFFFAOYSA-N 0 0 427.298 4.708 50 0 IJAARN O=C(Cn1c2ccccc2nc1[C@H](Sc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000027697783 557271635 /nfs/dbraw/zinc/27/16/35/557271635.db2.gz GLNQEWICQRPBMD-RUZDIDTESA-N 0 0 443.572 4.777 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000000829749 557272428 /nfs/dbraw/zinc/27/24/28/557272428.db2.gz DYDITBBRIJIUOD-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)C[C@@H](C)O4)on1)CCC2 ZINC000027792893 557274189 /nfs/dbraw/zinc/27/41/89/557274189.db2.gz JVDBONVIJXGUPD-GFCCVEGCSA-N 0 0 438.505 4.644 50 0 IJAARN C[C@@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072406 557274915 /nfs/dbraw/zinc/27/49/15/557274915.db2.gz CLOLMYNWIKLJLT-YPUOHESYSA-N 0 0 432.423 4.811 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@@H]1c1ccc(C)cc1C ZINC000101368260 557277964 /nfs/dbraw/zinc/27/79/64/557277964.db2.gz VSDBFIYBKASYAF-OPAMFIHVSA-N 0 0 441.597 4.746 50 0 IJAARN Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000101007472 557281036 /nfs/dbraw/zinc/28/10/36/557281036.db2.gz HUJIXMWIKXGQLR-QGZVFWFLSA-N 0 0 437.348 4.614 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c3ccccc3)N12 ZINC000101386795 557282214 /nfs/dbraw/zinc/28/22/14/557282214.db2.gz LDOVZKFQUZWGCY-VFNWGFHPSA-N 0 0 441.597 4.908 50 0 IJAARN Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1 ZINC000000830899 557289563 /nfs/dbraw/zinc/28/95/63/557289563.db2.gz ONWPCEKSYNDPFW-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ncccc2N=C(c2ccccc2)CC1=O ZINC000101681984 557295020 /nfs/dbraw/zinc/29/50/20/557295020.db2.gz COCYAPABTALXKS-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1C ZINC000101828063 557299698 /nfs/dbraw/zinc/29/96/98/557299698.db2.gz GHZBEFRYORZUOV-GOSISDBHSA-N 0 0 436.515 4.926 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N5C[C@H](C)C[C@@H](C)C5)ccc4[nH]cc-3c2=O)cc1C ZINC000101827854 557299769 /nfs/dbraw/zinc/29/97/69/557299769.db2.gz OUJUDGJFQVBDGQ-HZPDHXFCSA-N 0 0 428.536 4.554 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccccc3Cl)C(=O)C2)cc1C ZINC000101880535 557304656 /nfs/dbraw/zinc/30/46/56/557304656.db2.gz MASSDEUWZOUKSE-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)cc1 ZINC000101880812 557304985 /nfs/dbraw/zinc/30/49/85/557304985.db2.gz FABKVHTYBWULSH-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(Cl)cc3F)C(=O)C2)cc1 ZINC000101881291 557305171 /nfs/dbraw/zinc/30/51/71/557305171.db2.gz WTRYLGOGSQKMIQ-UHFFFAOYSA-N 0 0 436.874 4.679 50 0 IJAARN Cc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)N3CCCC3)N21 ZINC000101920480 557306675 /nfs/dbraw/zinc/30/66/75/557306675.db2.gz OYSYNGWHXQRLRJ-JOCHJYFZSA-N 0 0 439.581 4.534 50 0 IJAARN COc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)cc1Cl ZINC000101946167 557308096 /nfs/dbraw/zinc/30/80/96/557308096.db2.gz GATSXORIQXHNDE-INIZCTEOSA-N 0 0 425.916 4.823 50 0 IJAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023327830 557313437 /nfs/dbraw/zinc/31/34/37/557313437.db2.gz NTZSRVSRMJMURZ-IBGZPJMESA-N 0 0 436.502 4.666 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000014184081 557314227 /nfs/dbraw/zinc/31/42/27/557314227.db2.gz SBHYODFEZQEBRH-UHFFFAOYSA-N 0 0 442.537 4.507 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(Br)cc4)cc(=O)n3c2cc1C ZINC000033009060 557320585 /nfs/dbraw/zinc/32/05/85/557320585.db2.gz UPHSIWVTIIETFH-UHFFFAOYSA-N 0 0 428.311 4.541 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccnc2)cc1 ZINC000033037148 557322526 /nfs/dbraw/zinc/32/25/26/557322526.db2.gz UXDRVSUBSAXDIX-UHFFFAOYSA-N 0 0 425.492 4.762 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)CNC(=O)c3ccccc3Cl)sc2C)cc1 ZINC000014240114 557328682 /nfs/dbraw/zinc/32/86/82/557328682.db2.gz PRFWLOAUMXETEH-UHFFFAOYSA-N 0 0 429.929 4.539 50 0 IJAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4cccs4)s3)c2C)c1 ZINC000033273856 557328878 /nfs/dbraw/zinc/32/88/78/557328878.db2.gz CVXKHOIGZFEZEZ-UHFFFAOYSA-N 0 0 441.607 4.721 50 0 IJAARN O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000033294652 557330375 /nfs/dbraw/zinc/33/03/75/557330375.db2.gz UDRDGBCQEQPHOR-UNOMPAQXSA-N 0 0 448.375 4.809 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000102483143 557330606 /nfs/dbraw/zinc/33/06/06/557330606.db2.gz URZGKTIEKJFVGG-FYSMJZIKSA-N 0 0 426.476 4.910 50 0 IJAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2)c1=O ZINC000033318003 557332823 /nfs/dbraw/zinc/33/28/23/557332823.db2.gz SOYCWCTVWYWHCR-KRWDZBQOSA-N 0 0 440.503 4.530 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cc(F)ccc3F)nc2n1 ZINC000015004997 557333966 /nfs/dbraw/zinc/33/39/66/557333966.db2.gz HLUBKMOOBFUHRE-UHFFFAOYSA-N 0 0 425.464 4.564 50 0 IJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)c1 ZINC000000836692 557336224 /nfs/dbraw/zinc/33/62/24/557336224.db2.gz VZZXRLUZRXGHPG-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000014360516 557336335 /nfs/dbraw/zinc/33/63/35/557336335.db2.gz BXQRSAZQOYHAEU-VGOFRKELSA-N 0 0 432.520 4.762 50 0 IJAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)n1 ZINC000023328442 557338120 /nfs/dbraw/zinc/33/81/20/557338120.db2.gz TXCNHLDAGGQGNF-UHFFFAOYSA-N 0 0 433.552 4.661 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@H]4C[C@H]5CC[C@@H]4C5)c3)n2)o1 ZINC000023336019 557348561 /nfs/dbraw/zinc/34/85/61/557348561.db2.gz BKPQMTIRFRQZLM-SVMVAKDDSA-N 0 0 433.556 4.738 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000023336606 557349234 /nfs/dbraw/zinc/34/92/34/557349234.db2.gz ZFNOHVRUXQWBNC-UHFFFAOYSA-N 0 0 449.526 4.906 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000023430041 557355238 /nfs/dbraw/zinc/35/52/38/557355238.db2.gz UEKAECUXSXPMSE-RUZDIDTESA-N 0 0 438.568 4.538 50 0 IJAARN Cc1nn(C)c2ncc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc54)CC3)c(Cl)c12 ZINC000023446126 557358900 /nfs/dbraw/zinc/35/89/00/557358900.db2.gz OKOFUQDVJKARJB-UHFFFAOYSA-N 0 0 425.895 4.570 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000023459561 557360081 /nfs/dbraw/zinc/36/00/81/557360081.db2.gz GXKVZEPXVFMZGY-UHFFFAOYSA-N 0 0 449.894 4.892 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cccc(F)c3)c2)n(-c2ccccn2)n1 ZINC000023462241 557361232 /nfs/dbraw/zinc/36/12/32/557361232.db2.gz KJHBQXZNZKSNPN-UHFFFAOYSA-N 0 0 430.439 4.502 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102669742 557362869 /nfs/dbraw/zinc/36/28/69/557362869.db2.gz JEJYFVLRXKTNRC-KOSHJBKYSA-N 0 0 430.508 4.977 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)c(OC)c1OC ZINC000102674854 557363223 /nfs/dbraw/zinc/36/32/23/557363223.db2.gz JHZXHPQSFUGVKS-QRQCRPRQSA-N 0 0 446.507 4.678 50 0 IJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCc4ccccc4F)c3)n2)o1 ZINC000023457966 557363320 /nfs/dbraw/zinc/36/33/20/557363320.db2.gz NHZVGIQPEAVDDX-UHFFFAOYSA-N 0 0 433.487 4.597 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102722061 557368870 /nfs/dbraw/zinc/36/88/70/557368870.db2.gz NPFRISRZXQKFFD-CCDWMCETSA-N 0 0 436.467 4.597 50 0 IJAARN CCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccc(OC)cc4)cs3)=C2N)c1 ZINC000102725463 557369525 /nfs/dbraw/zinc/36/95/25/557369525.db2.gz BZCDSVDAJOUJRH-UHFFFAOYSA-N 0 0 435.505 4.762 50 0 IJAARN O=C1C[C@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100219443 557370910 /nfs/dbraw/zinc/37/09/10/557370910.db2.gz OOHUTZJTXBMHHW-IBGZPJMESA-N 0 0 436.861 4.870 50 0 IJAARN COc1ccc(CN2CC(=O)C(c3nc(-c4ccc(OC)c(OC)c4)cs3)=C2N)cc1 ZINC000102730763 557371268 /nfs/dbraw/zinc/37/12/68/557371268.db2.gz MMLFSQLTRXQXTL-UHFFFAOYSA-N 0 0 437.521 4.598 50 0 IJAARN O=C(CSc1c[nH]c2ccccc12)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220930642 557371439 /nfs/dbraw/zinc/37/14/39/557371439.db2.gz UFLGNNKDIPACEO-OAHLLOKOSA-N 0 0 438.578 4.853 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](/C=C/c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102712383 557373989 /nfs/dbraw/zinc/37/39/89/557373989.db2.gz UAQNUKKWBAOTLT-NELULTBKSA-N 0 0 428.492 4.906 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000102764074 557381342 /nfs/dbraw/zinc/38/13/42/557381342.db2.gz WMNHFELYSHGHNV-TZRRMPRUSA-N 0 0 446.478 4.666 50 0 IJAARN Clc1cccc([C@@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 ZINC000102799499 557389924 /nfs/dbraw/zinc/38/99/24/557389924.db2.gz HFKPCUAJCIOFIO-INIZCTEOSA-N 0 0 434.668 4.592 50 0 IJAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000024012993 557390934 /nfs/dbraw/zinc/39/09/34/557390934.db2.gz YQRRCBLXIZHTRJ-UHFFFAOYSA-N 0 0 446.454 4.647 50 0 IJAARN CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000024022916 557391497 /nfs/dbraw/zinc/39/14/97/557391497.db2.gz SXLQNSIIEHMBJZ-RUZDIDTESA-N 0 0 449.620 4.516 50 0 IJAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)cc1 ZINC000011695023 557393010 /nfs/dbraw/zinc/39/30/10/557393010.db2.gz CTVRAWIXQZPMFY-UHFFFAOYSA-N 0 0 442.562 4.625 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013845011 557395354 /nfs/dbraw/zinc/39/53/54/557395354.db2.gz UMBHYKSFEGRWFT-UWJYYQICSA-N 0 0 442.629 4.543 50 0 IJAARN O=C(Nc1snnc1C(=O)N1CCCC[C@H]1c1cccnc1)Nc1ccccc1Cl ZINC000033436085 557397654 /nfs/dbraw/zinc/39/76/54/557397654.db2.gz MHLAHUYIBJKKMR-INIZCTEOSA-N 0 0 442.932 4.598 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)COc2ccccc2)o1 ZINC000033533666 557408480 /nfs/dbraw/zinc/40/84/80/557408480.db2.gz PXOUKHCUCSHTEG-UHFFFAOYSA-N 0 0 448.563 4.680 50 0 IJAARN CCOc1ccc(NC(=O)C(=O)Nc2cc(C(C)C)nn2C(C)C)c(C(F)(F)F)c1 ZINC000408519037 557412721 /nfs/dbraw/zinc/41/27/21/557412721.db2.gz UPOIVKZXHRCUEW-UHFFFAOYSA-N 0 0 426.439 4.582 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000014127526 557421136 /nfs/dbraw/zinc/42/11/36/557421136.db2.gz ZWZRNRRSQXKGCB-QGZVFWFLSA-N 0 0 428.838 4.674 50 0 IJAARN CCCN(CCC)C(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000103143944 557423350 /nfs/dbraw/zinc/42/33/50/557423350.db2.gz HJNUSGJOZYTHFO-IBGZPJMESA-N 0 0 440.506 4.855 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000103298787 557433868 /nfs/dbraw/zinc/43/38/68/557433868.db2.gz VAGBWCOECHETHL-OTWHNJEPSA-N 0 0 435.593 4.715 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 ZINC000051316098 557463943 /nfs/dbraw/zinc/46/39/43/557463943.db2.gz SRVGDJULXDQVMU-UHFFFAOYSA-N 0 0 441.531 4.531 50 0 IJAARN CC(C)(C)CC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000019800821 557496974 /nfs/dbraw/zinc/49/69/74/557496974.db2.gz LDQBRFRQCPXXLQ-LBPRGKRZSA-N 0 0 431.216 4.875 50 0 IJAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105715591 557510017 /nfs/dbraw/zinc/51/00/17/557510017.db2.gz JGGBCVUNYOKBQR-VLIAUNLRSA-N 0 0 445.441 4.732 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000012051138 557525439 /nfs/dbraw/zinc/52/54/39/557525439.db2.gz CZAIWWJUOKBQNG-UHFFFAOYSA-N 0 0 438.553 4.673 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3sc(-c4ccsc4)nc3C)n2)o1 ZINC000012053767 557525680 /nfs/dbraw/zinc/52/56/80/557525680.db2.gz FDZDITYZFZCTEH-UHFFFAOYSA-N 0 0 444.563 4.785 50 0 IJAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000012062296 557526380 /nfs/dbraw/zinc/52/63/80/557526380.db2.gz SRXFFFUUOCDKSO-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN COc1ccc(NC(=O)c2sc(N(Cc3ccccc3)C(C)=O)nc2C)cc1Cl ZINC000044893781 557539951 /nfs/dbraw/zinc/53/99/51/557539951.db2.gz IAANNKPDSCZDGL-UHFFFAOYSA-N 0 0 429.929 4.919 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000044919083 557540830 /nfs/dbraw/zinc/54/08/30/557540830.db2.gz AOJUWRBDPALSIQ-KRWDZBQOSA-N 0 0 428.851 4.661 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000044920734 557540889 /nfs/dbraw/zinc/54/08/89/557540889.db2.gz VDJYKPOETKNDFI-QGZVFWFLSA-N 0 0 444.413 4.887 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2ccc(F)cc2)c1C ZINC000045900385 557547047 /nfs/dbraw/zinc/54/70/47/557547047.db2.gz JQRPAEHPSMKUIY-UHFFFAOYSA-N 0 0 426.835 4.689 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3ccc(Sc4cccc(F)c4)nn3)CC2)cc1 ZINC000045922811 557548014 /nfs/dbraw/zinc/54/80/14/557548014.db2.gz KGMYRTDJFSSZFQ-UHFFFAOYSA-N 0 0 436.556 4.608 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1cccc(SC)c1 ZINC000045943055 557552183 /nfs/dbraw/zinc/55/21/83/557552183.db2.gz XYMINICPVLUVQO-UHFFFAOYSA-N 0 0 427.526 4.673 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000045943208 557552195 /nfs/dbraw/zinc/55/21/95/557552195.db2.gz PAPKJRPJGSCQOQ-UHFFFAOYSA-N 0 0 447.310 4.622 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000045961940 557556985 /nfs/dbraw/zinc/55/69/85/557556985.db2.gz SGBMQHKIGJAISP-UHFFFAOYSA-N 0 0 434.517 4.768 50 0 IJAARN O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1ccccc1Cl ZINC000045961949 557556989 /nfs/dbraw/zinc/55/69/89/557556989.db2.gz QNFBCHQDALPVSB-UHFFFAOYSA-N 0 0 440.908 4.859 50 0 IJAARN O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000225407757 557719210 /nfs/dbraw/zinc/71/92/10/557719210.db2.gz LTQYAJOUISOBGQ-HCSKMRSTSA-N 0 0 435.474 4.699 50 0 IJAARN C[C@@H](CNC(=O)N(C)c1ccc(Br)cc1F)c1nc(-c2ccccc2)no1 ZINC000225523186 557735371 /nfs/dbraw/zinc/73/53/71/557735371.db2.gz GTWWAPBKTYBSRH-LBPRGKRZSA-N 0 0 433.281 4.588 50 0 IJAARN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)n1 ZINC000225565744 557743292 /nfs/dbraw/zinc/74/32/92/557743292.db2.gz ZKAQXYSQOUJKAQ-HNNXBMFYSA-N 0 0 429.492 4.712 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 ZINC000225781537 557777369 /nfs/dbraw/zinc/77/73/69/557777369.db2.gz WPHAOXVNBZJBDY-QHCPKHFHSA-N 0 0 448.935 4.823 50 0 IJAARN Cc1n[nH]cc1CNC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000096323738 557779335 /nfs/dbraw/zinc/77/93/35/557779335.db2.gz JBOXYIXTOHNGOM-UHFFFAOYSA-N 0 0 440.301 4.604 50 0 IJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000226241786 557805942 /nfs/dbraw/zinc/80/59/42/557805942.db2.gz IVTPVLVQXKGBMG-CYFREDJKSA-N 0 0 433.414 4.637 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000000843532 557811229 /nfs/dbraw/zinc/81/12/29/557811229.db2.gz VZADEPCNSULOFT-RPBOFIJWSA-N 0 0 438.487 4.508 50 0 IJAARN O=C(NC1CCCC1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000000848581 557829580 /nfs/dbraw/zinc/82/95/80/557829580.db2.gz AZBXMDVJIIABFR-UHFFFAOYSA-N 0 0 426.801 4.880 50 0 IJAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000024989055 557829979 /nfs/dbraw/zinc/82/99/79/557829979.db2.gz NPQYKDNKYHWHJG-UHFFFAOYSA-N 0 0 442.487 4.826 50 0 IJAARN COc1cccc2cc(-c3nnc(Nc4ccc(Br)cc4)s3)c(=O)oc21 ZINC000000856281 557831457 /nfs/dbraw/zinc/83/14/57/557831457.db2.gz XIZHCOUMIBGPTM-UHFFFAOYSA-N 0 0 430.283 4.826 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000229899389 557833714 /nfs/dbraw/zinc/83/37/14/557833714.db2.gz NYJVOOYIRMZESA-SNHOVUARSA-N 0 0 429.564 4.962 50 0 IJAARN COc1ccc(Cl)cc1N1C(=O)CS[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002949804 557841457 /nfs/dbraw/zinc/84/14/57/557841457.db2.gz UMBFDYRFTKVUIL-QGZVFWFLSA-N 0 0 442.718 4.618 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccncc2)cc1 ZINC000000872664 557843120 /nfs/dbraw/zinc/84/31/20/557843120.db2.gz MRFDLPAMQICMMJ-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000000876575 557848169 /nfs/dbraw/zinc/84/81/69/557848169.db2.gz YARTXASACUGJKI-KRWDZBQOSA-N 0 0 445.548 4.766 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000883808 557854575 /nfs/dbraw/zinc/85/45/75/557854575.db2.gz TYXGMHHKTSJPAN-UHFFFAOYSA-N 0 0 447.438 4.680 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000884335 557854741 /nfs/dbraw/zinc/85/47/41/557854741.db2.gz TVEXXCALKWRGSH-MOPGFXCFSA-N 0 0 446.429 4.813 50 0 IJAARN O=C(c1cccc(F)c1F)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000001436582 562921981 /nfs/dbraw/zinc/92/19/81/562921981.db2.gz ZDULKAHHRQEWKJ-XMMPIXPASA-N 0 0 432.426 4.963 50 0 biogenic IJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)cc1 ZINC000002691647 562929861 /nfs/dbraw/zinc/92/98/61/562929861.db2.gz MJXGVFRCXHCBLR-UHFFFAOYSA-N 0 0 443.499 4.615 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000003006233 562931540 /nfs/dbraw/zinc/93/15/40/562931540.db2.gz DTRZZTNBBUERDL-QGZVFWFLSA-N 0 0 437.989 4.701 50 0 aggregator IJAARN COc1ccc(OC)c(-n2c(=O)c3sc(=S)n(-c4ccccc4)c3[nH]c2=S)c1 ZINC000003018711 562931703 /nfs/dbraw/zinc/93/17/03/562931703.db2.gz CXXCXAHRRDIADZ-UHFFFAOYSA-N 0 0 429.548 4.647 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F ZINC000003022053 562931724 /nfs/dbraw/zinc/93/17/24/562931724.db2.gz WQEUMLSSABQKGP-UHFFFAOYSA-N 0 0 432.904 4.947 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000003038490 562932074 /nfs/dbraw/zinc/93/20/74/562932074.db2.gz KOVPWVXRTRZGPC-QHCPKHFHSA-N 0 0 428.935 4.766 50 0 IJAARN CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)C(c1ccccc1)c1ccccc1 ZINC000003288588 562933765 /nfs/dbraw/zinc/93/37/65/562933765.db2.gz SUKWRYQWHSYEFF-UHFFFAOYSA-N 0 0 426.516 4.892 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003321966 562934227 /nfs/dbraw/zinc/93/42/27/562934227.db2.gz TZXRLKAIQUFSPT-UHFFFAOYSA-N 0 0 430.460 4.819 50 0 aggregator IJAARN O=C1c2ccccc2N[C@H](c2cc3c(c(Br)c2)OCO3)N1Cc1ccco1 ZINC000003353078 562934693 /nfs/dbraw/zinc/93/46/93/562934693.db2.gz NEHBJWCXGIMGLW-IBGZPJMESA-N 0 0 427.254 4.538 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 ZINC000004313088 562943049 /nfs/dbraw/zinc/94/30/49/562943049.db2.gz SNBPXMMMSKYCPX-KSSFIOAISA-N 0 0 448.589 4.975 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC ZINC000006578127 562948086 /nfs/dbraw/zinc/94/80/86/562948086.db2.gz AXFTUHAZCXHICJ-QHCPKHFHSA-N 0 0 442.471 4.654 50 0 IJAARN CC[C@H](C(=O)NCc1ccccc1Cl)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587757 562950459 /nfs/dbraw/zinc/95/04/59/562950459.db2.gz UXNXLDSNWXCNRV-QGZVFWFLSA-N 0 0 425.941 4.841 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587791 562950463 /nfs/dbraw/zinc/95/04/63/562950463.db2.gz NIRMPIYGYNEIOE-FQEVSTJZSA-N 0 0 449.576 4.976 50 0 IJAARN COc1cccc(Cn2c3c4ccccc4oc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000008589115 562951111 /nfs/dbraw/zinc/95/11/11/562951111.db2.gz IZMKHHVAXKUOGS-UHFFFAOYSA-N 0 0 426.472 4.572 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NC4CCCCC4)nc23)c1 ZINC000008589456 562951195 /nfs/dbraw/zinc/95/11/95/562951195.db2.gz NFOCJWGEDBPGTO-UHFFFAOYSA-N 0 0 441.582 4.533 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccccc1F ZINC000008589607 562951279 /nfs/dbraw/zinc/95/12/79/562951279.db2.gz ZJNPDBMFKZOWEI-UHFFFAOYSA-N 0 0 425.529 4.524 50 0 IJAARN CCc1ccccc1Nc1nn2c(nc3cc(C(=O)NC4CCCCC4)ccc3c2=O)s1 ZINC000008592884 562952500 /nfs/dbraw/zinc/95/25/00/562952500.db2.gz USNKJVPVDRURHB-UHFFFAOYSA-N 0 0 447.564 4.673 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccccc1Cl ZINC000008594805 562953129 /nfs/dbraw/zinc/95/31/29/562953129.db2.gz HOHKXBLPPGCBCJ-SFHVURJKSA-N 0 0 441.944 4.590 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1ccccc1F ZINC000008596052 562953677 /nfs/dbraw/zinc/95/36/77/562953677.db2.gz DFJDUXDWVCEATC-UHFFFAOYSA-N 0 0 439.556 4.914 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 ZINC000008596389 562953776 /nfs/dbraw/zinc/95/37/76/562953776.db2.gz FDONXXKPLXUOGZ-UHFFFAOYSA-N 0 0 442.556 4.682 50 0 IJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000008598185 562954167 /nfs/dbraw/zinc/95/41/67/562954167.db2.gz BRPHMWVBXVUXQR-UHFFFAOYSA-N 0 0 447.491 4.819 50 0 IJAARN COc1cc(NC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)cc(OC)c1OC ZINC000008600230 562954975 /nfs/dbraw/zinc/95/49/75/562954975.db2.gz MIHPWTKZRVSIKU-UHFFFAOYSA-N 0 0 429.476 4.883 50 0 IJAARN CCC(CC)C(=O)Nc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000008603873 562956165 /nfs/dbraw/zinc/95/61/65/562956165.db2.gz RPMZHBYXJYZBTO-UHFFFAOYSA-N 0 0 425.554 4.589 50 0 IJAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)c4ccc(Br)cc4)ccc32)cc1 ZINC000008607247 562957276 /nfs/dbraw/zinc/95/72/76/562957276.db2.gz FEJHXHDBPSIEDA-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 aggregator IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000008608988 562957571 /nfs/dbraw/zinc/95/75/71/562957571.db2.gz OIMMOPHMMFEXNG-UHFFFAOYSA-N 0 0 449.507 4.741 50 0 IJAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccccc1C(F)(F)F ZINC000008609321 562957780 /nfs/dbraw/zinc/95/77/80/562957780.db2.gz PMWDQJSDGXYEMW-UHFFFAOYSA-N 0 0 434.418 4.588 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)s1 ZINC000008610560 562958212 /nfs/dbraw/zinc/95/82/12/562958212.db2.gz UTRXUZXDVQGYRE-MRXNPFEDSA-N 0 0 429.977 4.763 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc(SC(C)C)ncc1Cl)CCCC2 ZINC000008613782 562959401 /nfs/dbraw/zinc/95/94/01/562959401.db2.gz ZRBSLVWZCCEOKE-UHFFFAOYSA-N 0 0 439.990 5.000 50 0 IJAARN CCn1cc2nc(SCc3c(F)cccc3Cl)n(CCc3ccccc3)c(=O)c2n1 ZINC000008619229 562959851 /nfs/dbraw/zinc/95/98/51/562959851.db2.gz DTMQDVXXFKMOLU-UHFFFAOYSA-N 0 0 442.947 4.940 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1C1CCCCC1)N(C)C ZINC000008685027 562962307 /nfs/dbraw/zinc/96/23/07/562962307.db2.gz PXDLRGKFCIPOID-HXUWFJFHSA-N 0 0 443.617 4.729 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)ccc2n1-c1ccccc1 ZINC000008685940 562962625 /nfs/dbraw/zinc/96/26/25/562962625.db2.gz SYZNBBFPJNVZQW-UHFFFAOYSA-N 0 0 443.547 4.576 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1 ZINC000008686261 562962719 /nfs/dbraw/zinc/96/27/19/562962719.db2.gz XBMLCJDMBYXECI-UHFFFAOYSA-N 0 0 430.533 4.547 50 0 IJAARN CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000008693972 562963745 /nfs/dbraw/zinc/96/37/45/562963745.db2.gz PUVUWENJZVADGI-UHFFFAOYSA-N 0 0 444.597 4.566 50 0 IJAARN O=C(CSc1ccccc1C(=O)NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000008774484 562964090 /nfs/dbraw/zinc/96/40/90/562964090.db2.gz GHAKOAFIOJUDAL-UHFFFAOYSA-N 0 0 434.605 4.794 50 0 IJAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000008831426 562965051 /nfs/dbraw/zinc/96/50/51/562965051.db2.gz FFOJZJRYLIHCHL-UHFFFAOYSA-N 0 0 441.556 4.911 50 0 IJAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccs3)C2)cc1 ZINC000009382203 562969701 /nfs/dbraw/zinc/96/97/01/562969701.db2.gz URJUIFFZHFHHMG-FQEVSTJZSA-N 0 0 439.562 4.501 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000009428138 562970498 /nfs/dbraw/zinc/97/04/98/562970498.db2.gz XYAQBUOLRMRWQP-UHFFFAOYSA-N 0 0 435.911 4.734 50 0 IJAARN CC(C)n1nccc1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000009588442 562973687 /nfs/dbraw/zinc/97/36/87/562973687.db2.gz KVHUVZMNOKKTSK-UHFFFAOYSA-N 0 0 434.359 4.622 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c(C)c1 ZINC000015936536 563018879 /nfs/dbraw/zinc/01/88/79/563018879.db2.gz XPGVCGMHUZTFTC-UHFFFAOYSA-N 0 0 426.538 4.955 50 0 IJAARN Cc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000019939362 563023362 /nfs/dbraw/zinc/02/33/62/563023362.db2.gz SFBOZNPJZNZJQL-HSZRJFAPSA-N 0 0 443.469 4.605 50 0 IJAARN C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015947 563143019 /nfs/dbraw/zinc/14/30/19/563143019.db2.gz NMEGQXPTZNDYOB-WMZHIEFXSA-N 0 0 426.630 4.632 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000000900204 568636113 /nfs/dbraw/zinc/63/61/13/568636113.db2.gz VECZZUYURGYYNU-UHFFFAOYSA-N 0 0 445.548 4.518 50 0 IJAARN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000906811 568636358 /nfs/dbraw/zinc/63/63/58/568636358.db2.gz MZLMFOIQFHKKPC-OAHLLOKOSA-N 0 0 429.977 4.991 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)c(C)c1 ZINC000000907342 568636562 /nfs/dbraw/zinc/63/65/62/568636562.db2.gz LRLKSNLAXZEXNC-UHFFFAOYSA-N 0 0 430.533 4.988 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccco2)c1C ZINC000000915728 568637177 /nfs/dbraw/zinc/63/71/77/568637177.db2.gz AZCIZIDBXKPXDF-UHFFFAOYSA-N 0 0 434.521 4.640 50 0 IJAARN O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000939635 568640693 /nfs/dbraw/zinc/64/06/93/568640693.db2.gz WLKVNGRYNDMEHA-UHFFFAOYSA-N 0 0 445.622 4.904 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n(-c2ccccc2C)n1 ZINC000025145189 568640899 /nfs/dbraw/zinc/64/08/99/568640899.db2.gz WBZSGNXIIDEMTR-UHFFFAOYSA-N 0 0 444.491 4.882 50 0 IJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056911 568642042 /nfs/dbraw/zinc/64/20/42/568642042.db2.gz GHJVLAIPHMHWLN-SFHVURJKSA-N 0 0 435.549 4.715 50 0 IJAARN CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c1 ZINC000086057422 568642828 /nfs/dbraw/zinc/64/28/28/568642828.db2.gz CAYZDMSKERIMSW-MRXNPFEDSA-N 0 0 441.940 4.588 50 0 IJAARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C ZINC000253595722 568643797 /nfs/dbraw/zinc/64/37/97/568643797.db2.gz HVUYZRAQHFYMES-JGYAIRQVSA-N 0 0 446.584 4.603 50 0 IJAARN CCc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000959905 568646393 /nfs/dbraw/zinc/64/63/93/568646393.db2.gz XYFSEZCFQHZLIN-UHFFFAOYSA-N 0 0 444.560 4.641 50 0 IJAARN O=C(N[C@H]1CCc2ccccc21)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025162572 568647049 /nfs/dbraw/zinc/64/70/49/568647049.db2.gz NENZALXHWZHJTG-IBGZPJMESA-N 0 0 437.528 4.961 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000000990073 568649098 /nfs/dbraw/zinc/64/90/98/568649098.db2.gz AXOKOZCVNRSQNA-NDEPHWFRSA-N 0 0 425.528 4.881 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000025277255 568650952 /nfs/dbraw/zinc/65/09/52/568650952.db2.gz SDJUYIBOKUNTGO-UHFFFAOYSA-N 0 0 449.511 4.874 50 0 IJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3n2)c1 ZINC000001026489 568653236 /nfs/dbraw/zinc/65/32/36/568653236.db2.gz POCUDLXVRYXCDO-UHFFFAOYSA-N 0 0 433.489 4.578 50 0 IJAARN O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1ccccc1Cl ZINC000001060799 568655803 /nfs/dbraw/zinc/65/58/03/568655803.db2.gz XZXSHFKDAWLUKY-VGOFMYFVSA-N 0 0 443.071 4.516 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000025393995 568656291 /nfs/dbraw/zinc/65/62/91/568656291.db2.gz HPTLXYRMTNHVRL-UHFFFAOYSA-N 0 0 447.564 4.711 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000001074488 568656450 /nfs/dbraw/zinc/65/64/50/568656450.db2.gz RTLWCCBWTPCNNX-UHFFFAOYSA-N 0 0 442.915 4.782 50 0 IJAARN Cc1ccc(NC(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C(F)(F)F)cc1C ZINC000001079841 568657064 /nfs/dbraw/zinc/65/70/64/568657064.db2.gz GMYXLQQVPOFQCF-UHFFFAOYSA-N 0 0 439.400 4.942 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1ccc(C)c(C)c1C ZINC000001072146 568657737 /nfs/dbraw/zinc/65/77/37/568657737.db2.gz UQNHBYXSVLGFOE-UHFFFAOYSA-N 0 0 440.487 4.821 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O ZINC000001097607 568658808 /nfs/dbraw/zinc/65/88/08/568658808.db2.gz SQSBTVGPWOKGNJ-LJQANCHMSA-N 0 0 426.435 4.781 50 0 IJAARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(Br)c(C)c3C)c(N)c21 ZINC000001105303 568660435 /nfs/dbraw/zinc/66/04/35/568660435.db2.gz BDBDJBZHXQTIPW-UHFFFAOYSA-N 0 0 434.359 4.965 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000025544427 568664120 /nfs/dbraw/zinc/66/41/20/568664120.db2.gz IWJNEQLIGCQHLW-UHFFFAOYSA-N 0 0 440.503 4.502 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 ZINC000001195750 568736842 /nfs/dbraw/zinc/73/68/42/568736842.db2.gz UJHZRTNOKDYPQU-AYIBLLACSA-N 0 0 441.914 4.788 50 0 IJAARN COc1ccc(CN2CCCN(c3cc(NC(=O)c4ccccc4)ccc3OC)C2=O)cc1 ZINC000034739833 568737963 /nfs/dbraw/zinc/73/79/63/568737963.db2.gz WEDYWJIPNCIMPK-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN O=C(CSc1nnc(-c2n[nH]c3ccccc32)n1-c1ccccc1)Nc1ccccc1F ZINC000006017342 568740277 /nfs/dbraw/zinc/74/02/77/568740277.db2.gz UMYDUDPZBVRNOM-UHFFFAOYSA-N 0 0 444.495 4.681 50 0 IJAARN COc1cccc(-c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)c1OC ZINC000031637470 568741135 /nfs/dbraw/zinc/74/11/35/568741135.db2.gz KMLFAWYPLXJTOL-UHFFFAOYSA-N 0 0 448.331 4.892 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)OCC(=O)NC1CCCCC1 ZINC000001915360 568742255 /nfs/dbraw/zinc/74/22/55/568742255.db2.gz JREBLLKKAFWOHD-XNTDXEJSSA-N 0 0 427.928 4.924 50 0 IJAARN O=C(Nc1nc2c(s1)CCCC2)C1CCC(C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC000003258700 568744074 /nfs/dbraw/zinc/74/40/74/568744074.db2.gz BEUYOBQVYUPRCO-UHFFFAOYSA-N 0 0 444.626 4.741 50 0 IJAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2c(C)noc2C)CCC4)cc1 ZINC000003262040 568744209 /nfs/dbraw/zinc/74/42/09/568744209.db2.gz YGVUYLPVOBAKHF-UHFFFAOYSA-N 0 0 439.562 4.842 50 0 IJAARN CCCN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003350552 568746971 /nfs/dbraw/zinc/74/69/71/568746971.db2.gz FCXTWAGBSXLNMT-LJQANCHMSA-N 0 0 438.014 4.672 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2C)cc1 ZINC000044086752 568748027 /nfs/dbraw/zinc/74/80/27/568748027.db2.gz CDIGDNIDPZOVCI-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN COc1ccc(CNC(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)cc1 ZINC000003398353 568748568 /nfs/dbraw/zinc/74/85/68/568748568.db2.gz OAQMGBHWVYBTDS-UHFFFAOYSA-N 0 0 440.499 4.692 50 0 IJAARN Nn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1Cl ZINC000003468573 568749835 /nfs/dbraw/zinc/74/98/35/568749835.db2.gz CZSMUJWKLUZNRF-UHFFFAOYSA-N 0 0 444.347 4.850 50 0 IJAARN COc1ccc(NC(=O)[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(C)cc2)cc1 ZINC000003615126 568751462 /nfs/dbraw/zinc/75/14/62/568751462.db2.gz TZBNPESRASUVKE-RUZDIDTESA-N 0 0 427.504 4.524 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000003655696 568753319 /nfs/dbraw/zinc/75/33/19/568753319.db2.gz ZMLUBELUVCAQFK-LJQANCHMSA-N 0 0 433.489 4.573 50 0 IJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(C)Cc4ccc(F)cc4)o3)cc2C1 ZINC000015278184 568754897 /nfs/dbraw/zinc/75/48/97/568754897.db2.gz NLRJATXKJOFSOW-CYBMUJFWSA-N 0 0 431.558 4.813 50 0 IJAARN Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2cccc(-c4ccco4)c2)C3)n1 ZINC000299762530 568755903 /nfs/dbraw/zinc/75/59/03/568755903.db2.gz MYAWZCLWIJYOQG-OAQYLSRUSA-N 0 0 443.478 4.893 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@@H]2[C@H]1C2(Cl)Cl ZINC000299804310 568758201 /nfs/dbraw/zinc/75/82/01/568758201.db2.gz RLEVEBIKLGSQGM-KNKQGSTJSA-N 0 0 430.331 4.621 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](C1=Cc3ccccc3OC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586614 568759309 /nfs/dbraw/zinc/75/93/09/568759309.db2.gz WENQPRCQZOVNLJ-DEOSSOPVSA-N 0 0 439.515 4.850 50 0 biogenic IJAARN COc1ccc2cc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001247108 568774826 /nfs/dbraw/zinc/77/48/26/568774826.db2.gz VZLSEQVYUSPMEP-FQEVSTJZSA-N 0 0 439.899 4.612 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000001262710 568775446 /nfs/dbraw/zinc/77/54/46/568775446.db2.gz TUOTUTTZVSXBAB-UHFFFAOYSA-N 0 0 437.487 4.831 50 0 IJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)c1 ZINC000263619348 568778038 /nfs/dbraw/zinc/77/80/38/568778038.db2.gz YGVVKOVOPAFTDW-QGZVFWFLSA-N 0 0 446.360 4.909 50 0 IJAARN FC(F)(F)Oc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1 ZINC000263618108 568778051 /nfs/dbraw/zinc/77/80/51/568778051.db2.gz RHBSQWLOIORJJD-QGZVFWFLSA-N 0 0 428.370 4.770 50 0 IJAARN CC(C)Oc1ccc(CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)cc1 ZINC000001303373 568779225 /nfs/dbraw/zinc/77/92/25/568779225.db2.gz APLRLZGYWWBPHI-UHFFFAOYSA-N 0 0 430.595 4.926 50 0 IJAARN Nc1cccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3Cl)C2=O)c1 ZINC000004124754 568780532 /nfs/dbraw/zinc/78/05/32/568780532.db2.gz JFNJOUBGJAFDBY-HSZRJFAPSA-N 0 0 441.314 4.583 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1c3ccccc3C2(Br)c2ccccc21 ZINC000004132965 568781233 /nfs/dbraw/zinc/78/12/33/568781233.db2.gz VUQJVEVIOSKOOT-CAZKKTPXSA-N 0 0 448.291 4.729 50 0 IJAARN CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)c1ccccc1 ZINC000032106478 568781290 /nfs/dbraw/zinc/78/12/90/568781290.db2.gz NGVZNVJHXHSAGE-UHFFFAOYSA-N 0 0 428.517 4.526 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000059257880 568783224 /nfs/dbraw/zinc/78/32/24/568783224.db2.gz QPFUVFWIDWTRDY-UHFFFAOYSA-N 0 0 437.371 4.923 50 0 IJAARN COc1ccc(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1-c1ccccc1 ZINC000083859030 568783633 /nfs/dbraw/zinc/78/36/33/568783633.db2.gz NIESZAJSJCMBCI-JOCHJYFZSA-N 0 0 436.577 4.569 50 0 IJAARN NC(=O)[C@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl ZINC000001390267 568785164 /nfs/dbraw/zinc/78/51/64/568785164.db2.gz HKERPLHTDSCJFB-QGZVFWFLSA-N 0 0 426.275 4.830 50 0 IJAARN COC(=O)c1ccccc1SC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000001394096 568785538 /nfs/dbraw/zinc/78/55/38/568785538.db2.gz LUWGBYIMLBXUNS-GGAORHGYSA-N 0 0 433.529 4.978 50 0 IJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 ZINC000046058380 568787116 /nfs/dbraw/zinc/78/71/16/568787116.db2.gz TUEXYZRVXPZCKV-UHFFFAOYSA-N 0 0 426.922 4.732 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc(OCC)c1OCC ZINC000004056113 568790802 /nfs/dbraw/zinc/79/08/02/568790802.db2.gz CGGYYSGTOMVSFS-UHFFFAOYSA-N 0 0 429.513 4.948 50 0 IJAARN Cc1ccccc1O[C@H]1C(=O)N(CCc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001420959 568792990 /nfs/dbraw/zinc/79/29/90/568792990.db2.gz PSJCOTJBQQQXBW-DNQXCXABSA-N 0 0 435.907 4.951 50 0 IJAARN Cc1cc(C)[nH]c(=NNC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)n1 ZINC000084114528 568793407 /nfs/dbraw/zinc/79/34/07/568793407.db2.gz FSBYEBIFXVWGSX-UHFFFAOYSA-N 0 0 431.265 4.544 50 0 IJAARN Cn1c2ccccc2c2c(c1=O)[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)O2 ZINC000001432644 568795222 /nfs/dbraw/zinc/79/52/22/568795222.db2.gz OLZFEJLOPCBHDP-HXUWFJFHSA-N 0 0 429.447 4.698 50 0 IJAARN Cc1ccc(-c2cc(CS(=O)(=O)NC3(c4ccc(Br)cc4)CC3)on2)cc1 ZINC000084171868 568795411 /nfs/dbraw/zinc/79/54/11/568795411.db2.gz HFDLXXQPFQDQGK-UHFFFAOYSA-N 0 0 447.354 4.521 50 0 IJAARN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1)Nc1cccc(F)c1 ZINC000084372612 568797627 /nfs/dbraw/zinc/79/76/27/568797627.db2.gz CDHRHZSEALNWKH-SFHVURJKSA-N 0 0 439.531 4.821 50 0 IJAARN O=C(c1ccc(OCC2CC2)cc1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084387807 568797652 /nfs/dbraw/zinc/79/76/52/568797652.db2.gz FRKCABDTTPIEOB-KRWDZBQOSA-N 0 0 444.457 4.557 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2nc4ccccc4[nH]2)n1Cc1ccco1)CCC3 ZINC000010381723 568798436 /nfs/dbraw/zinc/79/84/36/568798436.db2.gz ZKPXJDKIOCQVFQ-UHFFFAOYSA-N 0 0 434.546 4.757 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000015576844 568798645 /nfs/dbraw/zinc/79/86/45/568798645.db2.gz JSTVDXKOQSKTLP-UHFFFAOYSA-N 0 0 449.470 4.523 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000015672757 568803135 /nfs/dbraw/zinc/80/31/35/568803135.db2.gz UTXREYITJQVVOI-DEOSSOPVSA-N 0 0 439.581 4.940 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000015676211 568804122 /nfs/dbraw/zinc/80/41/22/568804122.db2.gz LIXYMKRRYQLRBO-SANMLTNESA-N 0 0 436.600 4.611 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1 ZINC000015678993 568805374 /nfs/dbraw/zinc/80/53/74/568805374.db2.gz SKJWGFSZQFUTIG-MRXNPFEDSA-N 0 0 426.904 4.562 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000032492346 568811381 /nfs/dbraw/zinc/81/13/81/568811381.db2.gz DZNHKPCHROQAJO-INIZCTEOSA-N 0 0 440.521 4.637 50 0 IJAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(Cc3ccco3)C3CCCCC3)ccc2S1 ZINC000015730959 568814349 /nfs/dbraw/zinc/81/43/49/568814349.db2.gz GBAZOMCDEFXLAY-HNNXBMFYSA-N 0 0 434.583 4.626 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccccc3Cl)c(N3CCCC3)cc2n(CC)c1=O ZINC000015734366 568816320 /nfs/dbraw/zinc/81/63/20/568816320.db2.gz LFLLEPHEQMNDBP-UHFFFAOYSA-N 0 0 427.936 4.740 50 0 IJAARN COc1cc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc(OC)c1OC ZINC000001447896 568817682 /nfs/dbraw/zinc/81/76/82/568817682.db2.gz VXGYDUARNADIKC-UHFFFAOYSA-N 0 0 428.437 4.551 50 0 IJAARN O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000001462330 568819860 /nfs/dbraw/zinc/81/98/60/568819860.db2.gz NAIVDFYIMVKGMB-HHHXNRCGSA-N 0 0 442.584 4.702 50 0 IJAARN Cc1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000001464222 568820028 /nfs/dbraw/zinc/82/00/28/568820028.db2.gz KDYLMMDEBDTKTH-UHFFFAOYSA-N 0 0 431.282 4.861 50 0 IJAARN CCc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000001471172 568821657 /nfs/dbraw/zinc/82/16/57/568821657.db2.gz ZOYXISIRYJLHSP-INIZCTEOSA-N 0 0 425.326 4.954 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000001472312 568821681 /nfs/dbraw/zinc/82/16/81/568821681.db2.gz UQOBGQPUYVQWFF-UHFFFAOYSA-N 0 0 442.562 4.580 50 0 IJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)CCc4ccccc4)cc3)nn2)c(C)c1C ZINC000013009776 568821981 /nfs/dbraw/zinc/82/19/81/568821981.db2.gz IAWSOGDRDJQRBN-UHFFFAOYSA-N 0 0 426.524 4.902 50 0 IJAARN COc1cc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)[C@@H](C)CO3)cc(OC)c1OC ZINC000015775286 568823476 /nfs/dbraw/zinc/82/34/76/568823476.db2.gz PPYRIWFARZCFLV-KRWDZBQOSA-N 0 0 448.519 4.752 50 0 IJAARN COc1cccc(Cn2c(C)c(C[NH2+]Cc3ccc(OC(C)C)cc3)c(C(=O)[O-])c2C)c1 ZINC000015777104 568823748 /nfs/dbraw/zinc/82/37/48/568823748.db2.gz VKZWGOQAVMQIHQ-UHFFFAOYSA-N 0 0 436.552 4.937 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(CC)cc1)CC2 ZINC000015781682 568826030 /nfs/dbraw/zinc/82/60/30/568826030.db2.gz UTDVVZIOWXIOKJ-OAQYLSRUSA-N 0 0 440.540 4.741 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1cc(C)c2c(c1)oc(C)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001509379 568836130 /nfs/dbraw/zinc/83/61/30/568836130.db2.gz UVRZWCIBFHQSOD-QGZVFWFLSA-N 0 0 432.476 4.593 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000000909659 568836468 /nfs/dbraw/zinc/83/64/68/568836468.db2.gz FTZLWYRCGGGGNP-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000101192044 568837146 /nfs/dbraw/zinc/83/71/46/568837146.db2.gz ATSUDVZNGNZSAA-RQUSPXKASA-N 0 0 448.420 4.988 50 0 IJAARN COc1cnc(CSc2ccc(Cl)cc2)cc1OCC(=O)NCc1ccccc1 ZINC000015824638 568840542 /nfs/dbraw/zinc/84/05/42/568840542.db2.gz NISJNCSCYDQQOW-UHFFFAOYSA-N 0 0 428.941 4.731 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c1 ZINC000015829732 568841425 /nfs/dbraw/zinc/84/14/25/568841425.db2.gz QSBKLBUMOOYWRE-UHFFFAOYSA-N 0 0 441.607 4.671 50 0 IJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000033814641 568842374 /nfs/dbraw/zinc/84/23/74/568842374.db2.gz SDLLYTRBUXKMAV-SFHVURJKSA-N 0 0 429.636 4.848 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(OC)cc(OC)c3)cc2s1 ZINC000015861825 568848215 /nfs/dbraw/zinc/84/82/15/568848215.db2.gz KELWUWXZZLXADU-UHFFFAOYSA-N 0 0 427.526 4.623 50 0 IJAARN CCCOc1ccc(-c2[nH]c3c(C(=O)OC)cnn3c2NC2CCCCC2)cc1OC ZINC000006160118 568848255 /nfs/dbraw/zinc/84/82/55/568848255.db2.gz DGXQOGJJLLNAQJ-UHFFFAOYSA-N 0 0 426.517 4.658 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)c1 ZINC000015862633 568848850 /nfs/dbraw/zinc/84/88/50/568848850.db2.gz CAGGBNJGKAQPBM-UHFFFAOYSA-N 0 0 429.451 4.511 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000015865425 568850117 /nfs/dbraw/zinc/85/01/17/568850117.db2.gz RIUNQTPWNVDLLP-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN Cn1c(CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)nc2ccccc21 ZINC000015870646 568851779 /nfs/dbraw/zinc/85/17/79/568851779.db2.gz PINNGOMYOUIWCB-UHFFFAOYSA-N 0 0 443.931 4.952 50 0 IJAARN Cn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000015870663 568852256 /nfs/dbraw/zinc/85/22/56/568852256.db2.gz DSRMJLCLXMVBQP-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN Cc1c2nc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)sc2ccc1Cl ZINC000015882471 568856670 /nfs/dbraw/zinc/85/66/70/568856670.db2.gz LCXGLGLNVAWUSE-UHFFFAOYSA-N 0 0 428.970 4.830 50 0 IJAARN CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nn2)CC1 ZINC000015882207 568856680 /nfs/dbraw/zinc/85/66/80/568856680.db2.gz GNMKXFFKAGUGOK-UHFFFAOYSA-N 0 0 442.972 4.834 50 0 IJAARN O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000575414084 568860823 /nfs/dbraw/zinc/86/08/23/568860823.db2.gz QTHOAAFKTDBVGC-UHFFFAOYSA-N 0 0 440.468 4.673 50 0 IJAARN Cc1c(C(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)cnn1-c1ccccc1 ZINC000575414133 568861133 /nfs/dbraw/zinc/86/11/33/568861133.db2.gz XYXVRHJEFZJKDH-UHFFFAOYSA-N 0 0 440.551 4.524 50 0 IJAARN Cc1cc(C)c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000012937000 568866046 /nfs/dbraw/zinc/86/60/46/568866046.db2.gz STICIIYVLYUTIN-UHFFFAOYSA-N 0 0 444.578 4.516 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000012940193 568868384 /nfs/dbraw/zinc/86/83/84/568868384.db2.gz HNEORLITIXZMKR-KRWDZBQOSA-N 0 0 436.817 4.932 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000016050416 568869414 /nfs/dbraw/zinc/86/94/14/568869414.db2.gz FXFXUZOZQQZUQO-HDICACEKSA-N 0 0 432.520 4.857 50 0 IJAARN Cc1c(Cl)cccc1-n1c(S[C@H](C)C(=O)NCC(C)C)nnc1-c1ccncc1 ZINC000016052985 568869631 /nfs/dbraw/zinc/86/96/31/568869631.db2.gz KPUIEXXHXSTXJS-OAHLLOKOSA-N 0 0 429.977 4.544 50 0 IJAARN O=C(Cc1cc2c(cc1Br)OCCO2)Nc1nc(-c2cccs2)cs1 ZINC000012944947 568870628 /nfs/dbraw/zinc/87/06/28/568870628.db2.gz XJNUFYVGNZFDAC-UHFFFAOYSA-N 0 0 437.340 4.587 50 0 IJAARN Cc1cc(Br)c(OCC(=O)N2CCc3sccc3C2)c(Br)c1 ZINC000012947187 568871296 /nfs/dbraw/zinc/87/12/96/568871296.db2.gz ASRXQLUZEFDNSY-UHFFFAOYSA-N 0 0 445.176 4.545 50 0 IJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000012949899 568871788 /nfs/dbraw/zinc/87/17/88/568871788.db2.gz LUPGRCHKHGOXKP-UHFFFAOYSA-N 0 0 442.972 4.956 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000053517402 568876607 /nfs/dbraw/zinc/87/66/07/568876607.db2.gz USIQUBDFTCIKRJ-RUZDIDTESA-N 0 0 440.547 4.655 50 0 IJAARN O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575611313 568879106 /nfs/dbraw/zinc/87/91/06/568879106.db2.gz DUBYDGABRAANTM-VWLOTQADSA-N 0 0 427.972 4.582 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478162 568882573 /nfs/dbraw/zinc/88/25/73/568882573.db2.gz ADLOCOCZFBZRMU-UHFFFAOYSA-N 0 0 430.277 4.658 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(N2C(=O)C3=CCC=C[C@H]3C2=O)s1 ZINC000669368921 568883941 /nfs/dbraw/zinc/88/39/41/568883941.db2.gz QZBLVLVEZAACBV-CALCHBBNSA-N 0 0 439.606 4.976 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000102425806 568884803 /nfs/dbraw/zinc/88/48/03/568884803.db2.gz WOFNSEPAYTZRMM-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN CSc1ccc(CN(C)CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378513 568886267 /nfs/dbraw/zinc/88/62/67/568886267.db2.gz DKWKHBRFMMYLFT-XMMPIXPASA-N 0 0 428.598 4.515 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102674028 568888021 /nfs/dbraw/zinc/88/80/21/568888021.db2.gz QPFMHYRSARPXKW-QGZVFWFLSA-N 0 0 444.557 4.724 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000090593243 568888972 /nfs/dbraw/zinc/88/89/72/568888972.db2.gz LQZRITZXTTXTBN-CQSZACIVSA-N 0 0 443.931 4.580 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C ZINC000012978711 568891767 /nfs/dbraw/zinc/89/17/67/568891767.db2.gz GHSOZYQTGIJSEY-SNVBAGLBSA-N 0 0 444.866 4.913 50 0 IJAARN COc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c(OC)c1 ZINC000012979349 568892049 /nfs/dbraw/zinc/89/20/49/568892049.db2.gz LVZZERAZKUJFBV-VWLOTQADSA-N 0 0 434.536 4.833 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000006348616 568893203 /nfs/dbraw/zinc/89/32/03/568893203.db2.gz DSTDTEAZEXWDPB-QHCPKHFHSA-N 0 0 435.549 4.558 50 0 IJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC[C@H](C)C1 ZINC000012987892 568895248 /nfs/dbraw/zinc/89/52/48/568895248.db2.gz GXEOWHZEJFBVKS-GJZGRUSLSA-N 0 0 434.993 4.585 50 0 IJAARN O=C(CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000013005898 568899304 /nfs/dbraw/zinc/89/93/04/568899304.db2.gz ATEJJYBJVFNVST-AREMUKBSSA-N 0 0 443.572 4.639 50 0 IJAARN CCc1ccccc1NC=C1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000102995453 568900618 /nfs/dbraw/zinc/90/06/18/568900618.db2.gz IVXGPQMXOGLNSW-KGENOOAVSA-N 0 0 426.472 4.613 50 0 IJAARN CCCNC(=O)[C@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC(C)C ZINC000013021984 568902218 /nfs/dbraw/zinc/90/22/18/568902218.db2.gz FCAQFCQTVRFMQV-ZDUSSCGKSA-N 0 0 435.640 4.849 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2C2CCCCC2)cc1 ZINC000013020520 568902330 /nfs/dbraw/zinc/90/23/30/568902330.db2.gz ANYRPQAQQVBBRM-UHFFFAOYSA-N 0 0 434.573 4.732 50 0 IJAARN O=C(c1ccc(I)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000013023574 568902484 /nfs/dbraw/zinc/90/24/84/568902484.db2.gz FEVIFWILGAPGIA-HNNXBMFYSA-N 0 0 434.302 4.878 50 0 IJAARN C[C@H](CCC(=O)NC1CC1)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253535778 568904230 /nfs/dbraw/zinc/90/42/30/568904230.db2.gz DYVCWIDNNCVUOG-PAPRIIJXSA-N 0 0 431.661 4.672 50 0 IJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000001774649 568906329 /nfs/dbraw/zinc/90/63/29/568906329.db2.gz PSZMVNBKOWOGNH-QGZVFWFLSA-N 0 0 426.465 4.549 50 0 IJAARN CCCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)NCC ZINC000035700156 568907130 /nfs/dbraw/zinc/90/71/30/568907130.db2.gz ONTGIERDJPRDFO-UHFFFAOYSA-N 0 0 447.583 4.926 50 0 IJAARN CCc1ccc(NC(=O)N[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)[C@@H](C)CC)cc1 ZINC000035724488 568908372 /nfs/dbraw/zinc/90/83/72/568908372.db2.gz VLLLMVUOWGLMGF-HNAYVOBHSA-N 0 0 437.569 4.942 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000245235773 568913100 /nfs/dbraw/zinc/91/31/00/568913100.db2.gz NIDHXYCNIMGZFS-MGOSVXKISA-N 0 0 438.543 4.823 50 0 IJAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245255837 568913753 /nfs/dbraw/zinc/91/37/53/568913753.db2.gz LQKZKLFCIIATAJ-SNBNJOFPSA-N 0 0 448.950 4.597 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000245311319 568914577 /nfs/dbraw/zinc/91/45/77/568914577.db2.gz NKTVGCVHSBNONZ-LVXARBLLSA-N 0 0 446.503 4.963 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)N2C(=O)[C@H](C)SC2=N1 ZINC000026842245 568917749 /nfs/dbraw/zinc/91/77/49/568917749.db2.gz FKGVBQCYDBLWNN-IFXJQAMLSA-N 0 0 426.925 4.732 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)c(OC)c1)C[C@H](C(C)(C)C)CC2 ZINC000001945720 568923681 /nfs/dbraw/zinc/92/36/81/568923681.db2.gz WMBTTYMOEMVAAI-CQSZACIVSA-N 0 0 431.554 4.955 50 0 IJAARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl ZINC000252629295 568926290 /nfs/dbraw/zinc/92/62/90/568926290.db2.gz UCVHTFNYQATWTH-UHFFFAOYSA-N 0 0 428.327 4.968 50 0 IJAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc32)cc1 ZINC000064474037 568930022 /nfs/dbraw/zinc/93/00/22/568930022.db2.gz LNARHRXZKYLFSI-UHFFFAOYSA-N 0 0 433.508 4.646 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000064558307 568931983 /nfs/dbraw/zinc/93/19/83/568931983.db2.gz RACYOPBDLSYZED-JOCHJYFZSA-N 0 0 433.529 4.630 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(Oc4cccc(OC)c4)ncn3)cc2)cc1 ZINC000064568603 568933985 /nfs/dbraw/zinc/93/39/85/568933985.db2.gz NQFBREZAHJZNCZ-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CCn1c2cc(NC(=O)Nc3ccccc3F)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591083 568935412 /nfs/dbraw/zinc/93/54/12/568935412.db2.gz DXHONFNLEFMDAI-UHFFFAOYSA-N 0 0 425.508 4.616 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000016689617 568938059 /nfs/dbraw/zinc/93/80/59/568938059.db2.gz HRMYKWXZTXXMQF-UHFFFAOYSA-N 0 0 436.895 4.944 50 0 IJAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991250 568941731 /nfs/dbraw/zinc/94/17/31/568941731.db2.gz KWNAYCFPKCAJOF-VWLOTQADSA-N 0 0 449.595 4.845 50 0 IJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656567 568942183 /nfs/dbraw/zinc/94/21/83/568942183.db2.gz SILLWUQHYQFBCS-KRWDZBQOSA-N 0 0 427.547 4.842 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(C)ccc2C)cc1 ZINC000064656883 568942331 /nfs/dbraw/zinc/94/23/31/568942331.db2.gz CYACDPLUTINLOY-SFHVURJKSA-N 0 0 427.547 4.680 50 0 IJAARN COc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)c1 ZINC000064656853 568942388 /nfs/dbraw/zinc/94/23/88/568942388.db2.gz KOHIYYKBEMXWKI-MRXNPFEDSA-N 0 0 433.938 4.717 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000064656940 568942398 /nfs/dbraw/zinc/94/23/98/568942398.db2.gz ITHIZGBYSCFGLH-MRXNPFEDSA-N 0 0 433.938 4.717 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N2CCCCCC2)CC1 ZINC000064667983 568942902 /nfs/dbraw/zinc/94/29/02/568942902.db2.gz QLCYKSMTGXSWPF-UHFFFAOYSA-N 0 0 425.598 4.763 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCc2ccc(C)cc2)CC1 ZINC000064667986 568942967 /nfs/dbraw/zinc/94/29/67/568942967.db2.gz YPMFOTUXPUNORI-UHFFFAOYSA-N 0 0 447.604 4.986 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NC2CCCCC2)CC1 ZINC000064668027 568943081 /nfs/dbraw/zinc/94/30/81/568943081.db2.gz ROXDOTQIMPOINJ-UHFFFAOYSA-N 0 0 443.588 4.949 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000064668046 568943115 /nfs/dbraw/zinc/94/31/15/568943115.db2.gz XPRCPBDAMCYQJE-MRXNPFEDSA-N 0 0 445.604 4.908 50 0 IJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)cs1 ZINC000064669965 568943444 /nfs/dbraw/zinc/94/34/44/568943444.db2.gz UEUXZJAKERADFS-UHFFFAOYSA-N 0 0 447.670 4.881 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(c2ccccc2)CC1 ZINC000064677165 568943772 /nfs/dbraw/zinc/94/37/72/568943772.db2.gz YFQHROOLSNHSPQ-UHFFFAOYSA-N 0 0 428.561 4.627 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c4cccnc4sc3c(=O)n2CC(C)C)c1 ZINC000064699807 568944321 /nfs/dbraw/zinc/94/43/21/568944321.db2.gz LMPXSYJZCWZPKW-UHFFFAOYSA-N 0 0 438.578 4.701 50 0 IJAARN Cc1nc(SCc2ccc(C(=O)NC3CC3)cc2)nc(N(C)Cc2ccccc2)c1C ZINC000036064171 568944928 /nfs/dbraw/zinc/94/49/28/568944928.db2.gz RAEBIBZURMOHOR-UHFFFAOYSA-N 0 0 432.593 4.914 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3[nH]c2=S)cc1 ZINC000036064666 568944936 /nfs/dbraw/zinc/94/49/36/568944936.db2.gz PRDBWNLOFVTANC-STXHMFSFSA-N 0 0 437.565 4.611 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036065882 568945069 /nfs/dbraw/zinc/94/50/69/568945069.db2.gz XRDDOVLLTURVOL-UHFFFAOYSA-N 0 0 449.551 4.608 50 0 IJAARN CCOC(=O)CN(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000036067068 568945142 /nfs/dbraw/zinc/94/51/42/568945142.db2.gz LXVQEWZCYMDDRN-XMMPIXPASA-N 0 0 442.987 4.895 50 0 IJAARN Cc1cccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036068346 568945311 /nfs/dbraw/zinc/94/53/11/568945311.db2.gz ATKDVVGVIKXTHA-UHFFFAOYSA-N 0 0 447.535 4.540 50 0 IJAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1 ZINC000036072303 568946061 /nfs/dbraw/zinc/94/60/61/568946061.db2.gz XXLJVAMCTOKSRO-UHFFFAOYSA-N 0 0 429.495 4.946 50 0 IJAARN CC(C)N(Cc1nc(C(=O)NCc2cccnc2)co1)Cc1cccc(Cl)c1Cl ZINC000036083074 568947032 /nfs/dbraw/zinc/94/70/32/568947032.db2.gz JKWOQPNIUIKCDS-UHFFFAOYSA-N 0 0 433.339 4.717 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083437 568947065 /nfs/dbraw/zinc/94/70/65/568947065.db2.gz DCEQPBCCMQDFIU-QFIPXVFZSA-N 0 0 442.943 4.939 50 0 IJAARN CN1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746093 568949349 /nfs/dbraw/zinc/94/93/49/568949349.db2.gz VWZIQPZNYDYJRI-UHFFFAOYSA-N 0 0 445.036 4.998 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OCc2nc(CO)cs2)c1)C(=O)C1CCCC1 ZINC000036094324 568951101 /nfs/dbraw/zinc/95/11/01/568951101.db2.gz IDDLHHUMZIKPCM-MRXNPFEDSA-N 0 0 432.586 4.540 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4C)CC3=O)c2)cc1 ZINC000064754687 568950987 /nfs/dbraw/zinc/95/09/87/568950987.db2.gz SIVXKUFMWMXSPA-NRFANRHFSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000064754616 568951020 /nfs/dbraw/zinc/95/10/20/568951020.db2.gz HJMBIKLOCROLDM-GOSISDBHSA-N 0 0 447.922 4.892 50 0 IJAARN CC(=O)c1ccc(N2CCN(c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cn3)CC2)cc1 ZINC000064755891 568951423 /nfs/dbraw/zinc/95/14/23/568951423.db2.gz VSNZWQYWUDMTMR-UHFFFAOYSA-N 0 0 439.519 4.636 50 0 IJAARN CSc1ccc(-n2nnc(C(=O)NCc3ccccc3Cl)c2-c2ccccn2)cc1 ZINC000064757965 568952256 /nfs/dbraw/zinc/95/22/56/568952256.db2.gz JRXJTCHSWUIPCA-UHFFFAOYSA-N 0 0 435.940 4.635 50 0 IJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1F ZINC000036107200 568953849 /nfs/dbraw/zinc/95/38/49/568953849.db2.gz DZXXWXTVGVECPG-UHFFFAOYSA-N 0 0 428.529 4.767 50 0 IJAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000064775209 568954531 /nfs/dbraw/zinc/95/45/31/568954531.db2.gz RZDGYRMORXBKFQ-UHFFFAOYSA-N 0 0 447.413 4.858 50 0 IJAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1F ZINC000036114735 568955280 /nfs/dbraw/zinc/95/52/80/568955280.db2.gz LBXRLWTZIFLUEF-UHFFFAOYSA-N 0 0 428.529 4.849 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)[C@@H](C)CC ZINC000036115722 568955621 /nfs/dbraw/zinc/95/56/21/568955621.db2.gz IDBXXTKZUHWYID-JXFKEZNVSA-N 0 0 449.016 4.943 50 0 IJAARN CCC(=O)N(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036116816 568955734 /nfs/dbraw/zinc/95/57/34/568955734.db2.gz ORAXIDZXDMCSJI-NRFANRHFSA-N 0 0 428.598 4.635 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)CC(C)C ZINC000036116635 568955785 /nfs/dbraw/zinc/95/57/85/568955785.db2.gz MRMIOOFXUMVUKO-HSZRJFAPSA-N 0 0 442.625 4.881 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)CC ZINC000036118798 568956070 /nfs/dbraw/zinc/95/60/70/568956070.db2.gz LSIBANMSICZOFG-HXUWFJFHSA-N 0 0 428.598 4.518 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n23)c1 ZINC000064787941 568956329 /nfs/dbraw/zinc/95/63/29/568956329.db2.gz OUWMCJLZFUQQRR-UHFFFAOYSA-N 0 0 445.422 4.703 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000036119703 568956746 /nfs/dbraw/zinc/95/67/46/568956746.db2.gz BHPLQMKPLXJDAU-OAQYLSRUSA-N 0 0 428.598 4.538 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119567 568956761 /nfs/dbraw/zinc/95/67/61/568956761.db2.gz PPMONOHTAPYVHH-OAQYLSRUSA-N 0 0 428.598 4.538 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119566 568956843 /nfs/dbraw/zinc/95/68/43/568956843.db2.gz PPMONOHTAPYVHH-NRFANRHFSA-N 0 0 428.598 4.538 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C1CC1 ZINC000036119918 568956965 /nfs/dbraw/zinc/95/69/65/568956965.db2.gz GUNKHJIZAJEBPR-PGRDOPGGSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064801849 568961451 /nfs/dbraw/zinc/96/14/51/568961451.db2.gz PQXMOKRWEJTNFS-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006722061 568963078 /nfs/dbraw/zinc/96/30/78/568963078.db2.gz DMZQCMNGXWFMQZ-GOSISDBHSA-N 0 0 425.573 4.797 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SC(C)(C)CN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1 ZINC000036152159 568963447 /nfs/dbraw/zinc/96/34/47/568963447.db2.gz VXUHJFMUTWXBHS-RUZDIDTESA-N 0 0 432.545 4.955 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000064815711 568963546 /nfs/dbraw/zinc/96/35/46/568963546.db2.gz OCVBCVPTSJKBCC-VWLOTQADSA-N 0 0 448.592 4.706 50 0 IJAARN O=C(c1cccc(F)c1)N1CCS[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152424 568963549 /nfs/dbraw/zinc/96/35/49/568963549.db2.gz IPQDQVKNYVHPRC-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064815714 568963580 /nfs/dbraw/zinc/96/35/80/568963580.db2.gz FCVHQGIDXFFCBE-VWLOTQADSA-N 0 0 448.592 4.652 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)c2cccc(F)c2)C1=O ZINC000036152616 568963628 /nfs/dbraw/zinc/96/36/28/568963628.db2.gz PRBKVEITLFYWKN-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc4c(c3)CCCC4)c(C)o2)cc1 ZINC000064817893 568964853 /nfs/dbraw/zinc/96/48/53/568964853.db2.gz KJVGBLMFWJVOQD-UHFFFAOYSA-N 0 0 440.565 4.748 50 0 IJAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(Cl)s3)c(C)o2)cc1 ZINC000064817892 568964885 /nfs/dbraw/zinc/96/48/85/568964885.db2.gz BDAPPCJGCNCMKW-UHFFFAOYSA-N 0 0 426.947 4.584 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819063 568965888 /nfs/dbraw/zinc/96/58/88/568965888.db2.gz WLGIWYXVXUNRRE-AWEZNQCLSA-N 0 0 430.430 4.512 50 0 IJAARN CSc1cccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000064819182 568965984 /nfs/dbraw/zinc/96/59/84/568965984.db2.gz GFJGBNWWBTYONJ-UHFFFAOYSA-N 0 0 447.486 4.725 50 0 IJAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819097 568966058 /nfs/dbraw/zinc/96/60/58/568966058.db2.gz ZPQWRHIZXWQLJB-GFCCVEGCSA-N 0 0 436.384 4.782 50 0 IJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000036155791 568966407 /nfs/dbraw/zinc/96/64/07/568966407.db2.gz YFXMSTGYTHUPRD-VWLOTQADSA-N 0 0 445.544 4.676 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000036164330 568968086 /nfs/dbraw/zinc/96/80/86/568968086.db2.gz SAQKPWQKHUJGQA-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036165054 568968148 /nfs/dbraw/zinc/96/81/48/568968148.db2.gz KFAHGDYNRWFYNC-QHCPKHFHSA-N 0 0 428.985 4.970 50 0 IJAARN CN(CCc1noc(-c2ccccc2)n1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000064841220 568970150 /nfs/dbraw/zinc/97/01/50/568970150.db2.gz RROKAARYZDQNDM-UHFFFAOYSA-N 0 0 425.554 4.648 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000064847707 568971163 /nfs/dbraw/zinc/97/11/63/568971163.db2.gz RCMBOGVWWCTLPS-KRWDZBQOSA-N 0 0 425.529 4.531 50 0 IJAARN COc1cc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000064847887 568971295 /nfs/dbraw/zinc/97/12/95/568971295.db2.gz CAPMGDPEXVRAIG-HNNXBMFYSA-N 0 0 445.947 4.876 50 0 IJAARN O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848106 568971298 /nfs/dbraw/zinc/97/12/98/568971298.db2.gz PNRRIOAZDHSQQA-UHFFFAOYSA-N 0 0 448.375 4.890 50 0 biogenic IJAARN Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064848214 568971550 /nfs/dbraw/zinc/97/15/50/568971550.db2.gz IDCYDSCQYDNXSS-UHFFFAOYSA-N 0 0 435.593 4.816 50 0 biogenic IJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064848157 568971625 /nfs/dbraw/zinc/97/16/25/568971625.db2.gz HBIWCYQOVWGMRQ-UHFFFAOYSA-N 0 0 435.593 4.816 50 0 biogenic IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(F)c(Cl)c3)c2)on1 ZINC000064866253 568974239 /nfs/dbraw/zinc/97/42/39/568974239.db2.gz AGPGVLHEAAYUPI-UHFFFAOYSA-N 0 0 436.892 4.553 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cc(C)cc3C)c2)c1C ZINC000064867209 568975031 /nfs/dbraw/zinc/97/50/31/568975031.db2.gz OOTUYMKSRPLDID-UHFFFAOYSA-N 0 0 440.565 4.995 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccccc2C(F)(F)F)=Nc2ccccc2N1 ZINC000064869508 568976194 /nfs/dbraw/zinc/97/61/94/568976194.db2.gz KHHOOKONGUALJI-UHFFFAOYSA-N 0 0 449.454 4.980 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)c1 ZINC000064873406 568978290 /nfs/dbraw/zinc/97/82/90/568978290.db2.gz AOIFCLXKOUHISH-UHFFFAOYSA-N 0 0 443.478 4.820 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1Cl ZINC000064872439 568978417 /nfs/dbraw/zinc/97/84/17/568978417.db2.gz DTBHSHPORCIQDW-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)c(C)c1 ZINC000064873408 568978463 /nfs/dbraw/zinc/97/84/63/568978463.db2.gz YTWMABXUQPXKJT-UHFFFAOYSA-N 0 0 443.478 4.820 50 0 IJAARN CCc1ccccc1NC(=O)[C@H](CC)N1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000006769259 568980374 /nfs/dbraw/zinc/98/03/74/568980374.db2.gz GJBAJCASUZUARC-QHCPKHFHSA-N 0 0 425.532 4.850 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2cccc(C)c2)cc1 ZINC000036247731 568982393 /nfs/dbraw/zinc/98/23/93/568982393.db2.gz IQFFMSCASQHWFE-SFHVURJKSA-N 0 0 441.549 4.977 50 0 IJAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248409 568982587 /nfs/dbraw/zinc/98/25/87/568982587.db2.gz JLINBJJEVGADTK-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H]1CCCO1 ZINC000036249477 568983635 /nfs/dbraw/zinc/98/36/35/568983635.db2.gz ULYDWUWCCBHNNC-NRFANRHFSA-N 0 0 425.573 4.886 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c1 ZINC000064919329 568985286 /nfs/dbraw/zinc/98/52/86/568985286.db2.gz YXZCZLHPAPTMKS-UHFFFAOYSA-N 0 0 430.439 4.502 50 0 IJAARN Cc1nn(-c2cc(N3CCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064924539 568986294 /nfs/dbraw/zinc/98/62/94/568986294.db2.gz HDLTYBKYINJFAS-UHFFFAOYSA-N 0 0 432.572 4.574 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1Cl ZINC000064928939 568987305 /nfs/dbraw/zinc/98/73/05/568987305.db2.gz RQXHDOKYCRZHIE-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929092 568987425 /nfs/dbraw/zinc/98/74/25/568987425.db2.gz IGOPYVMABVDTJV-IBGZPJMESA-N 0 0 436.556 4.537 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000064929967 568988300 /nfs/dbraw/zinc/98/83/00/568988300.db2.gz RHCFHRNRUHJFSY-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3cccc(Cl)c3)s2)cc1 ZINC000064930071 568988482 /nfs/dbraw/zinc/98/84/82/568988482.db2.gz CYBGCFIYRKJUJO-QGZVFWFLSA-N 0 0 426.929 4.730 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c(C)c1 ZINC000064930387 568988913 /nfs/dbraw/zinc/98/89/13/568988913.db2.gz WWLYCVPEOSQRSU-SFHVURJKSA-N 0 0 439.516 4.915 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036314241 568998900 /nfs/dbraw/zinc/99/89/00/568998900.db2.gz LPCAQFWODYZOQC-FQEVSTJZSA-N 0 0 433.552 4.928 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1OCCC ZINC000006811507 569000599 /nfs/dbraw/zinc/00/05/99/569000599.db2.gz XNPOGKPNZAKUMO-UHFFFAOYSA-N 0 0 425.485 4.640 50 0 IJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1 ZINC000064977449 569077183 /nfs/dbraw/zinc/07/71/83/569077183.db2.gz GYJFLDZPMQPVIX-UHFFFAOYSA-N 0 0 440.503 4.882 50 0 IJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)/C=C/c3ccccc3)cc2=O)s1 ZINC000064976863 569077261 /nfs/dbraw/zinc/07/72/61/569077261.db2.gz IKGDOMRGQZWJKY-PKNBQFBNSA-N 0 0 431.517 4.604 50 0 IJAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976755 569077287 /nfs/dbraw/zinc/07/72/87/569077287.db2.gz MFXHHULPLYIZEA-UHFFFAOYSA-N 0 0 449.576 4.798 50 0 IJAARN O=C1C[C@H](c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)CN1c1cccc(Cl)c1 ZINC000064980043 569078302 /nfs/dbraw/zinc/07/83/02/569078302.db2.gz VLKXCUFUVZEPEH-HNNXBMFYSA-N 0 0 448.914 4.770 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000036349092 569081736 /nfs/dbraw/zinc/08/17/36/569081736.db2.gz OIBJFBIWXBTKRC-UHFFFAOYSA-N 0 0 430.504 4.956 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(NC3CCCCCC3)cc1O2 ZINC000064986693 569082270 /nfs/dbraw/zinc/08/22/70/569082270.db2.gz COALZDBBDFTKDZ-UHFFFAOYSA-N 0 0 443.569 4.738 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc2c(cc1NC1CCCC1)Oc1ccc(C)cc1NC2=O ZINC000064986778 569082356 /nfs/dbraw/zinc/08/23/56/569082356.db2.gz CFFZWMGYQLAOKU-UHFFFAOYSA-N 0 0 443.569 4.738 50 0 IJAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCCCO2 ZINC000064987054 569082548 /nfs/dbraw/zinc/08/25/48/569082548.db2.gz VXVFMDSOQNTRTN-UHFFFAOYSA-N 0 0 446.547 4.882 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988944 569082924 /nfs/dbraw/zinc/08/29/24/569082924.db2.gz YUNFQWJYVXZMET-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000064989849 569083106 /nfs/dbraw/zinc/08/31/06/569083106.db2.gz ZGPFSNOHFPNUMW-LJQANCHMSA-N 0 0 428.532 4.536 50 0 biogenic IJAARN O=C(CSCc1ccc(F)cc1)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064989812 569083127 /nfs/dbraw/zinc/08/31/27/569083127.db2.gz BWOPQVNLSZFREH-UHFFFAOYSA-N 0 0 434.536 4.578 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 ZINC000036354816 569084164 /nfs/dbraw/zinc/08/41/64/569084164.db2.gz FSCJPMXGCYBQDE-SFHVURJKSA-N 0 0 446.898 4.722 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C(C)C)c2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000006838316 569084951 /nfs/dbraw/zinc/08/49/51/569084951.db2.gz RPCBHKPTTRXDGY-JOCHJYFZSA-N 0 0 426.488 4.541 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)N[C@@H](C)c4ccccc4)s3)c2C)cc1 ZINC000064998637 569085389 /nfs/dbraw/zinc/08/53/89/569085389.db2.gz XGYUEKDNTHFZJM-HNNXBMFYSA-N 0 0 447.564 4.897 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NCc1ccccc1F ZINC000064998701 569085414 /nfs/dbraw/zinc/08/54/14/569085414.db2.gz CHDVIWMATXOPFH-UHFFFAOYSA-N 0 0 435.528 4.694 50 0 IJAARN CCN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000065000166 569085937 /nfs/dbraw/zinc/08/59/37/569085937.db2.gz MLTGBNJVGOVICW-UHFFFAOYSA-N 0 0 432.495 4.798 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)s3)c2)c1 ZINC000064999779 569086281 /nfs/dbraw/zinc/08/62/81/569086281.db2.gz PPWNCOXAMGJOPS-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)c3ccc4oc(C5CC5)nc4c3)CC2)cc1 ZINC000065005841 569087234 /nfs/dbraw/zinc/08/72/34/569087234.db2.gz WWLHKGNTAHWFNG-UHFFFAOYSA-N 0 0 431.536 4.572 50 0 IJAARN Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009128 569087868 /nfs/dbraw/zinc/08/78/68/569087868.db2.gz FQTXARFLOADJAD-UHFFFAOYSA-N 0 0 442.972 4.502 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(F)cc3F)c2oc1C(=O)N1CCCC1 ZINC000065010452 569088077 /nfs/dbraw/zinc/08/80/77/569088077.db2.gz ZLFUOVFCCWMDNR-UHFFFAOYSA-N 0 0 448.491 4.673 50 0 IJAARN CCOc1c2cc(NC(=O)Nc3cc(OC)ccc3OC)ccc2sc1C(=O)OC ZINC000065022914 569089831 /nfs/dbraw/zinc/08/98/31/569089831.db2.gz IEQYMJNCEBGHTO-UHFFFAOYSA-N 0 0 430.482 4.748 50 0 IJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)ccc21 ZINC000065026834 569089955 /nfs/dbraw/zinc/08/99/55/569089955.db2.gz HCAXGTMYFLVJER-UHFFFAOYSA-N 0 0 439.559 4.615 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(-c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000065026882 569089957 /nfs/dbraw/zinc/08/99/57/569089957.db2.gz RZWJZKHWUXDZNS-UHFFFAOYSA-N 0 0 428.532 4.981 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(C)=O)cc2)cc1OC ZINC000065027006 569090121 /nfs/dbraw/zinc/09/01/21/569090121.db2.gz VMRAJENTISXQKZ-UHFFFAOYSA-N 0 0 444.531 4.600 50 0 IJAARN O=C(NCc1ccccc1)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 ZINC000065027086 569090178 /nfs/dbraw/zinc/09/01/78/569090178.db2.gz JISKGNGLIROXLY-UHFFFAOYSA-N 0 0 445.450 4.575 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025556 569090679 /nfs/dbraw/zinc/09/06/79/569090679.db2.gz JJBTUSKJTNLJBT-UHFFFAOYSA-N 0 0 430.508 4.912 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)c(OC)c1 ZINC000065025806 569090760 /nfs/dbraw/zinc/09/07/60/569090760.db2.gz GTPNPFHPWVWLEZ-UHFFFAOYSA-N 0 0 446.551 4.835 50 0 biogenic IJAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc(Br)cc1 ZINC000169759546 569094072 /nfs/dbraw/zinc/09/40/72/569094072.db2.gz HYEUXIFRTJWLAU-KRWDZBQOSA-N 0 0 445.748 4.501 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@@]12C=C(C)[C@@H](c1cc(C)ccc1OC)CC2=O ZINC000253471647 569094762 /nfs/dbraw/zinc/09/47/62/569094762.db2.gz WQVSDWDDNOWAJV-KEAVEAIBSA-N 0 0 437.580 4.992 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058119 569095411 /nfs/dbraw/zinc/09/54/11/569095411.db2.gz AJTMMEPEMIPEQS-UHFFFAOYSA-N 0 0 425.444 4.595 50 0 IJAARN Cc1ccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1NS(C)(=O)=O ZINC000036391065 569097182 /nfs/dbraw/zinc/09/71/82/569097182.db2.gz FRLBZSSHDCVMGY-QHCPKHFHSA-N 0 0 434.517 4.632 50 0 IJAARN CCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000065063432 569098061 /nfs/dbraw/zinc/09/80/61/569098061.db2.gz BVVTXMGDJOLICJ-UHFFFAOYSA-N 0 0 439.537 4.513 50 0 IJAARN Cc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cccc(Cl)c2)cc1 ZINC000065074933 569099323 /nfs/dbraw/zinc/09/93/23/569099323.db2.gz XWPJRFQWDWQGDR-AREMUKBSSA-N 0 0 432.951 4.922 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075026 569099403 /nfs/dbraw/zinc/09/94/03/569099403.db2.gz GSOORKSXOLURBI-MHZLTWQESA-N 0 0 428.532 4.672 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)c1 ZINC000065075128 569099444 /nfs/dbraw/zinc/09/94/44/569099444.db2.gz NLJPCTOGKBJQAF-SANMLTNESA-N 0 0 432.951 4.922 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075108 569099467 /nfs/dbraw/zinc/09/94/67/569099467.db2.gz CCCXLMSVWBPUPD-SANMLTNESA-N 0 0 432.951 4.922 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000065075263 569099569 /nfs/dbraw/zinc/09/95/69/569099569.db2.gz CKZUENKNMMMKTQ-HHHXNRCGSA-N 0 0 428.532 4.590 50 0 IJAARN CCOc1ccc(C(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1OCC ZINC000065076778 569099939 /nfs/dbraw/zinc/09/99/39/569099939.db2.gz XUZTUGYQAVHLAM-UHFFFAOYSA-N 0 0 435.524 4.862 50 0 IJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)c(OC)c1 ZINC000065079344 569100852 /nfs/dbraw/zinc/10/08/52/569100852.db2.gz XXSKMFNDBYVAFF-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(F)cc1)CO2)c1ccc(Cl)cc1 ZINC000065082840 569102516 /nfs/dbraw/zinc/10/25/16/569102516.db2.gz CMMYOJYMSXZKMJ-GOSISDBHSA-N 0 0 438.886 4.599 50 0 IJAARN CN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780464 569103044 /nfs/dbraw/zinc/10/30/44/569103044.db2.gz DHSQYXVXNKRMDQ-IBGZPJMESA-N 0 0 433.430 4.630 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc1 ZINC000065097976 569104425 /nfs/dbraw/zinc/10/44/25/569104425.db2.gz GGOXXRLTDBCKNE-UHFFFAOYSA-N 0 0 445.953 4.905 50 0 IJAARN Cc1ccccc1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065098014 569104577 /nfs/dbraw/zinc/10/45/77/569104577.db2.gz FWNXYHQKCIDHGI-UHFFFAOYSA-N 0 0 445.953 4.905 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000065102414 569106058 /nfs/dbraw/zinc/10/60/58/569106058.db2.gz FIKCRXPKPLEBQF-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN CC[C@H]1CCCCN1C(=O)Cn1nc(-c2nc(-c3ccc(C)cc3)no2)c2ccccc21 ZINC000065111266 569106353 /nfs/dbraw/zinc/10/63/53/569106353.db2.gz MVSIITZPTLQRAU-IBGZPJMESA-N 0 0 429.524 4.853 50 0 IJAARN CCN(C(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)c1cccc(C)c1 ZINC000065115076 569106553 /nfs/dbraw/zinc/10/65/53/569106553.db2.gz JSDULMSNRHZAIH-UHFFFAOYSA-N 0 0 448.910 4.580 50 0 IJAARN O=C(CSc1nccnc1N1CCC(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000065115071 569106628 /nfs/dbraw/zinc/10/66/28/569106628.db2.gz YEVNTVQGSBVFDN-UHFFFAOYSA-N 0 0 436.556 4.806 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000065112114 569107907 /nfs/dbraw/zinc/10/79/07/569107907.db2.gz GULLGZNZANTTRA-UHFFFAOYSA-N 0 0 429.517 4.567 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000065111959 569107908 /nfs/dbraw/zinc/10/79/08/569107908.db2.gz CUVYJOAQIHVOQF-UHFFFAOYSA-N 0 0 431.945 4.521 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1Cl ZINC000065112272 569108040 /nfs/dbraw/zinc/10/80/40/569108040.db2.gz NDEGGVDOWOEUKF-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@@](O)(c4ccc(C)cc4)C3=O)c(C)o2)cc1 ZINC000065155080 569112334 /nfs/dbraw/zinc/11/23/34/569112334.db2.gz IMGGJTYHXTZTPX-MHZLTWQESA-N 0 0 440.499 4.750 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168545 569112596 /nfs/dbraw/zinc/11/25/96/569112596.db2.gz GSCZYBSPQVUNHI-UHFFFAOYSA-N 0 0 428.717 4.758 50 0 IJAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1 ZINC000065184193 569114057 /nfs/dbraw/zinc/11/40/57/569114057.db2.gz UOMZDEXKNRFOAS-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN Cc1ccc(NC(=O)CN2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(Cl)c1 ZINC000065184175 569114074 /nfs/dbraw/zinc/11/40/74/569114074.db2.gz XVRIVFBHLAUSNO-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccc(N4CCSCC4)nc3)cc2)cc1 ZINC000065178359 569114411 /nfs/dbraw/zinc/11/44/11/569114411.db2.gz ULGKKWPHDLFMOA-GOSISDBHSA-N 0 0 433.577 4.801 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCCC1 ZINC000065178461 569114429 /nfs/dbraw/zinc/11/44/29/569114429.db2.gz NCGQDGABTVSYPL-LJQANCHMSA-N 0 0 440.971 4.897 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)cc1)N1CCCC1 ZINC000065178761 569114492 /nfs/dbraw/zinc/11/44/92/569114492.db2.gz VYXCIKOJPIEGJN-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN CC[C@@H](C(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCCC3)cc2)C1)c1ccccc1 ZINC000065178655 569114546 /nfs/dbraw/zinc/11/45/46/569114546.db2.gz JLOJIEBLFUDOTR-PXDATVDWSA-N 0 0 434.580 4.734 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCCCC1 ZINC000065178562 569114559 /nfs/dbraw/zinc/11/45/59/569114559.db2.gz BVMHOTYWHXMKGA-LJQANCHMSA-N 0 0 440.971 4.897 50 0 IJAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)Nc2ccc(OC)cc2C)cc1 ZINC000065210146 569116260 /nfs/dbraw/zinc/11/62/60/569116260.db2.gz LGABJDUQYXOENK-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN CCc1nn2c(nc(-c3ccccc3)c2CNC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000065217804 569117165 /nfs/dbraw/zinc/11/71/65/569117165.db2.gz FVTCLCAOCLIKHK-UHFFFAOYSA-N 0 0 430.455 4.969 50 0 IJAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccc(F)cc1 ZINC000065228031 569117611 /nfs/dbraw/zinc/11/76/11/569117611.db2.gz XSDVKHNNWZSWFD-VQIMIIECSA-N 0 0 449.530 4.632 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c1 ZINC000065241426 569120960 /nfs/dbraw/zinc/12/09/60/569120960.db2.gz ZTESQGIOYZGRGA-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN CCn1ncc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1C ZINC000036615910 569122604 /nfs/dbraw/zinc/12/26/04/569122604.db2.gz RQLHGXNFSAJSNX-HNNXBMFYSA-N 0 0 428.540 4.622 50 0 IJAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccnn3-c3ccc(F)cc3)c12 ZINC000036616355 569122744 /nfs/dbraw/zinc/12/27/44/569122744.db2.gz SAUHATGVBOLLJD-UHFFFAOYSA-N 0 0 440.482 4.829 50 0 IJAARN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCCn2cc(Br)cn2)n1 ZINC000036612855 569123768 /nfs/dbraw/zinc/12/37/68/569123768.db2.gz HWCZRDZKLNJWOS-UHFFFAOYSA-N 0 0 446.658 4.887 50 0 IJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NC[C@@H](C)Cn1nc(C)cc1C ZINC000036613450 569123813 /nfs/dbraw/zinc/12/38/13/569123813.db2.gz AGQGUVSYVUGQRJ-QGZVFWFLSA-N 0 0 444.583 4.614 50 0 IJAARN CCN1c2ccc(NC(=O)COc3cccc(Cl)c3)cc2Sc2ncccc2C1=O ZINC000065258522 569124458 /nfs/dbraw/zinc/12/44/58/569124458.db2.gz JOVGLXHSINNSKA-UHFFFAOYSA-N 0 0 439.924 4.884 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258540 569124579 /nfs/dbraw/zinc/12/45/79/569124579.db2.gz RTBNVTWVRVITGG-UHFFFAOYSA-N 0 0 449.532 4.628 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(Cc4ccccc4)o3)cs2)cc1 ZINC000013165003 569125807 /nfs/dbraw/zinc/12/58/07/569125807.db2.gz HRFLSFYRXHPTSD-UHFFFAOYSA-N 0 0 436.562 4.899 50 0 IJAARN Cc1ccc(NC(=O)CCn2c3nn(CC(C)C)cc3c(C(F)(F)F)cc2=O)cc1C ZINC000036621617 569126343 /nfs/dbraw/zinc/12/63/43/569126343.db2.gz IBMHVEMNNOTHGY-UHFFFAOYSA-N 0 0 434.462 4.518 50 0 IJAARN Oc1cc2c(cc1-c1c3cc4c(cc3oc1-c1ccc3c(c1)OCCO3)OCO4)OCO2 ZINC000524731873 569126666 /nfs/dbraw/zinc/12/66/66/569126666.db2.gz NGDOBBVQTZJJGB-UHFFFAOYSA-N 0 0 432.384 4.701 50 0 biogenic IJAARN Cn1c(CCCO)nc2cc(NC(=O)C[C@@H](c3ccc(Cl)cc3)n3cccc3)ccc21 ZINC000524735177 569128168 /nfs/dbraw/zinc/12/81/68/569128168.db2.gz CLBAWVNEDKSKRF-QFIPXVFZSA-N 0 0 436.943 4.571 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccccc1)N2 ZINC000065298510 569131991 /nfs/dbraw/zinc/13/19/91/569131991.db2.gz CMTNBRUOHZKURO-IBGZPJMESA-N 0 0 427.932 4.518 50 0 biogenic IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccc(C)cc1)N2 ZINC000065298492 569132021 /nfs/dbraw/zinc/13/20/21/569132021.db2.gz DPEUMEDDJUUTRB-FQEVSTJZSA-N 0 0 441.959 4.826 50 0 biogenic IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC(NC(=O)c4cc(C)cc(C)c4)CC3)sc12 ZINC000065299854 569132119 /nfs/dbraw/zinc/13/21/19/569132119.db2.gz PCWGWDJRVQWWDT-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000065315005 569135752 /nfs/dbraw/zinc/13/57/52/569135752.db2.gz GPTPKEIANOMEIK-ZDUSSCGKSA-N 0 0 440.908 4.838 50 0 IJAARN Cc1ccccc1-c1noc([C@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000065320793 569136193 /nfs/dbraw/zinc/13/61/93/569136193.db2.gz ZGPOGFGCQSJKET-HXUWFJFHSA-N 0 0 425.554 4.805 50 0 IJAARN CCc1cccc(CC)c1Nc1nn2c(nc3ccc(Br)cc3c2=O)s1 ZINC000065329979 569136944 /nfs/dbraw/zinc/13/69/44/569136944.db2.gz CSLCOCQUXPHPNF-UHFFFAOYSA-N 0 0 429.343 4.935 50 0 IJAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000036859414 569138523 /nfs/dbraw/zinc/13/85/23/569138523.db2.gz ZVCJBBIIOKTUBN-SANMLTNESA-N 0 0 443.632 4.672 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000065495689 569138807 /nfs/dbraw/zinc/13/88/07/569138807.db2.gz WAIGTKQPLYWJAU-HDICACEKSA-N 0 0 434.540 4.628 50 0 IJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(-c3cccc(Br)c3)n2C)c1 ZINC000065494250 569138863 /nfs/dbraw/zinc/13/88/63/569138863.db2.gz IFOSSKQWTOYQKN-CQSZACIVSA-N 0 0 440.341 4.904 50 0 IJAARN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000065513517 569139075 /nfs/dbraw/zinc/13/90/75/569139075.db2.gz ICEZTJHYMRJBET-HXUWFJFHSA-N 0 0 443.469 4.937 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)n2c1 ZINC000065528974 569139158 /nfs/dbraw/zinc/13/91/58/569139158.db2.gz WGANULQCVRFQLE-OAQYLSRUSA-N 0 0 440.503 4.680 50 0 IJAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1Cl ZINC000170592137 569140983 /nfs/dbraw/zinc/14/09/83/569140983.db2.gz LDPXWZITILZRBF-QGZVFWFLSA-N 0 0 449.363 4.615 50 0 IJAARN Cc1cncn1C1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC1 ZINC000170600586 569142755 /nfs/dbraw/zinc/14/27/55/569142755.db2.gz COENHJVBZGFGDJ-UHFFFAOYSA-N 0 0 431.565 4.837 50 0 IJAARN CCCN1CCCN(C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)CC1=O ZINC000170607660 569144425 /nfs/dbraw/zinc/14/44/25/569144425.db2.gz MXKOYQIUOFKXJT-UHFFFAOYSA-N 0 0 443.594 4.575 50 0 IJAARN C[C@H]1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037277044 569145312 /nfs/dbraw/zinc/14/53/12/569145312.db2.gz HZMVWFKUJXEIPF-SFHVURJKSA-N 0 0 439.987 4.753 50 0 IJAARN Cc1cccn2cc(CNC(=O)c3cccnc3Oc3cccc(Br)c3)nc12 ZINC000170624945 569148074 /nfs/dbraw/zinc/14/80/74/569148074.db2.gz FTWQFRQWKOWTJH-UHFFFAOYSA-N 0 0 437.297 4.523 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N[C@H]1CCSc2ccccc21 ZINC000009882592 569149711 /nfs/dbraw/zinc/14/97/11/569149711.db2.gz YOYCUWHROJDPGT-FQEVSTJZSA-N 0 0 430.529 4.569 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000009882740 569149794 /nfs/dbraw/zinc/14/97/94/569149794.db2.gz DBLKPWUOERKKKZ-UHFFFAOYSA-N 0 0 428.554 4.605 50 0 IJAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(OC)c2O3)cc1Br ZINC000009909435 569150351 /nfs/dbraw/zinc/15/03/51/569150351.db2.gz NCFBVHFQGVQGRI-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000010024378 569151553 /nfs/dbraw/zinc/15/15/53/569151553.db2.gz DVQUZPUYDAEWIF-HZPDHXFCSA-N 0 0 441.984 4.921 50 0 IJAARN CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000010026938 569151660 /nfs/dbraw/zinc/15/16/60/569151660.db2.gz LPDCYHGNBLGWTK-FQEVSTJZSA-N 0 0 435.549 4.650 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(OC)c2)cc1 ZINC000010060281 569152411 /nfs/dbraw/zinc/15/24/11/569152411.db2.gz SRSAVJRSYQEHDA-ZEQRLZLVSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3OC)C[C@@H]2c2ccccc2)cc1 ZINC000010060387 569152529 /nfs/dbraw/zinc/15/25/29/569152529.db2.gz HJBSSOIXXIZYPH-PKTZIBPZSA-N 0 0 440.503 4.677 50 0 IJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3OC)C[C@H]2c2ccccc2)c1 ZINC000010060393 569152550 /nfs/dbraw/zinc/15/25/50/569152550.db2.gz KMZLTTWIRSLQHT-GOTSBHOMSA-N 0 0 440.503 4.677 50 0 IJAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010220697 569153058 /nfs/dbraw/zinc/15/30/58/569153058.db2.gz AKJCBSLHARZQCH-UHFFFAOYSA-N 0 0 439.320 4.659 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1 ZINC000010218323 569153477 /nfs/dbraw/zinc/15/34/77/569153477.db2.gz DQLRZFLGTPTDDV-UHFFFAOYSA-N 0 0 443.575 4.612 50 0 IJAARN Cc1cccc2c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc(-c3cccnc3)nc12 ZINC000013321309 569154855 /nfs/dbraw/zinc/15/48/55/569154855.db2.gz QBXIGZVKHFRDBO-UHFFFAOYSA-N 0 0 442.544 4.897 50 0 IJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccnc4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321889 569155059 /nfs/dbraw/zinc/15/50/59/569155059.db2.gz OXKKFMLILYWBHQ-CQSZACIVSA-N 0 0 442.544 4.834 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1C ZINC000013579181 569156121 /nfs/dbraw/zinc/15/61/21/569156121.db2.gz ZJLKXUUOPXJGEN-QHCPKHFHSA-N 0 0 444.556 4.909 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000013579799 569156289 /nfs/dbraw/zinc/15/62/89/569156289.db2.gz JYFMIVXVMPBZSJ-SZPZYZBQSA-N 0 0 434.561 4.996 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)C1(c2ccccc2)CCOCC1 ZINC000013695002 569156571 /nfs/dbraw/zinc/15/65/71/569156571.db2.gz UZULSGSWJKCUCG-UHFFFAOYSA-N 0 0 432.545 4.638 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000014406722 569159027 /nfs/dbraw/zinc/15/90/27/569159027.db2.gz PRQIVAODARNESD-DEOSSOPVSA-N 0 0 431.467 4.636 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3)ncn2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037342171 569159725 /nfs/dbraw/zinc/15/97/25/569159725.db2.gz XOGUVSMQPLGZHE-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN O=C(COc1ccc(F)cc1Cl)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000016700746 569159793 /nfs/dbraw/zinc/15/97/93/569159793.db2.gz KZPZRRRCZHOQFZ-UHFFFAOYSA-N 0 0 427.785 4.760 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3c3ccc(C)s3)CC2)s1 ZINC000089656360 569160627 /nfs/dbraw/zinc/16/06/27/569160627.db2.gz XSICOPGTPYACDA-NMLBUPMWSA-N 0 0 442.650 4.783 50 0 IJAARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)NC(=O)NC1CCCC1 ZINC000016763237 569161433 /nfs/dbraw/zinc/16/14/33/569161433.db2.gz VMKDXMDPFNYHDQ-CYBMUJFWSA-N 0 0 426.567 4.607 50 0 IJAARN Cc1csc(C2(NC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)CCCC2)n1 ZINC000089705453 569161876 /nfs/dbraw/zinc/16/18/76/569161876.db2.gz PBIYLBYLDNNLMH-HOTGVXAUSA-N 0 0 432.565 4.795 50 0 IJAARN Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000016840323 569163130 /nfs/dbraw/zinc/16/31/30/569163130.db2.gz ZGRCKABYVLZGLS-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN COCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)oc1C ZINC000016840557 569163150 /nfs/dbraw/zinc/16/31/50/569163150.db2.gz HJEWRPAEKLQOMC-UHFFFAOYSA-N 0 0 441.940 4.952 50 0 IJAARN COCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(C)cc2)oc1C ZINC000016840511 569163161 /nfs/dbraw/zinc/16/31/61/569163161.db2.gz WBVVMYMRNVXUOV-UHFFFAOYSA-N 0 0 435.549 4.997 50 0 IJAARN CC(=O)O[C@H](COc1ccc(N(C)C(C)=O)cc1)Cn1c2ccccc2c2ccccc21 ZINC000016890339 569165449 /nfs/dbraw/zinc/16/54/49/569165449.db2.gz OIOSADXFLGHWFY-QFIPXVFZSA-N 0 0 430.504 4.788 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000089941796 569168447 /nfs/dbraw/zinc/16/84/47/569168447.db2.gz WJSRMFKUMIJTOO-UHFFFAOYSA-N 0 0 449.378 4.746 50 0 IJAARN Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000016992264 569169552 /nfs/dbraw/zinc/16/95/52/569169552.db2.gz NUXYMTDJKGOUIU-UHFFFAOYSA-N 0 0 444.475 4.797 50 0 IJAARN CCOc1ccc(Nc2nnc(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)s2)cc1 ZINC000089991159 569170119 /nfs/dbraw/zinc/17/01/19/569170119.db2.gz RYTYDWYOBQCIDX-UHFFFAOYSA-N 0 0 445.595 4.888 50 0 IJAARN Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017010521 569170165 /nfs/dbraw/zinc/17/01/65/569170165.db2.gz SVXAUJQSMMRXAQ-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000017011227 569170365 /nfs/dbraw/zinc/17/03/65/569170365.db2.gz OJCJUXOZGICJBE-UHFFFAOYSA-N 0 0 438.409 4.669 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037355940 569171269 /nfs/dbraw/zinc/17/12/69/569171269.db2.gz ZKVDBRYNKYUVKY-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356087 569171398 /nfs/dbraw/zinc/17/13/98/569171398.db2.gz UPURUEYTKQCZFM-QGZVFWFLSA-N 0 0 428.964 4.930 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)cc3F)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356108 569171615 /nfs/dbraw/zinc/17/16/15/569171615.db2.gz RIGVFRQLZLRFHL-AWEZNQCLSA-N 0 0 444.869 4.551 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)cc3F)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356107 569171623 /nfs/dbraw/zinc/17/16/23/569171623.db2.gz RIGVFRQLZLRFHL-CQSZACIVSA-N 0 0 444.869 4.551 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017042605 569171624 /nfs/dbraw/zinc/17/16/24/569171624.db2.gz YWDLDWKCYQOIRC-UHFFFAOYSA-N 0 0 437.547 4.953 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ncn2)ccc1Cl ZINC000037356474 569172174 /nfs/dbraw/zinc/17/21/74/569172174.db2.gz PFAIOAMQJYIWTC-UHFFFAOYSA-N 0 0 443.334 4.847 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)ncn1 ZINC000037356495 569172176 /nfs/dbraw/zinc/17/21/76/569172176.db2.gz HAMAAPUHXZCBGP-SFHVURJKSA-N 0 0 426.536 4.724 50 0 IJAARN O=C(NCC1N=NC(=S)N1c1ccc(Cl)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000017170835 569175391 /nfs/dbraw/zinc/17/53/91/569175391.db2.gz AHEPTTJBDGZIBE-UHFFFAOYSA-N 0 0 447.269 4.812 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000000935797 569176342 /nfs/dbraw/zinc/17/63/42/569176342.db2.gz AJTXOZMGBVDJGH-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1Cl ZINC000002876672 569177577 /nfs/dbraw/zinc/17/75/77/569177577.db2.gz NEEHHBCUWCXKCW-UHFFFAOYSA-N 0 0 448.903 4.606 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003039575 569177722 /nfs/dbraw/zinc/17/77/22/569177722.db2.gz OJUGAHABAMHROZ-KQPPXVQYSA-N 0 0 442.799 4.807 50 0 IJAARN CCCCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002095802 569179304 /nfs/dbraw/zinc/17/93/04/569179304.db2.gz LAFBUGNZZLMBFB-JYFHCDHNSA-N 0 0 429.564 4.776 50 0 biogenic IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000001088242 569180448 /nfs/dbraw/zinc/18/04/48/569180448.db2.gz MVMBYYWBTRXHGQ-UHFFFAOYSA-N 0 0 437.471 4.703 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cccs1 ZINC000002385328 569180788 /nfs/dbraw/zinc/18/07/88/569180788.db2.gz MTKLJIWPWJYPFR-UHFFFAOYSA-N 0 0 437.388 4.828 50 0 IJAARN CCOC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000002983384 569181082 /nfs/dbraw/zinc/18/10/82/569181082.db2.gz QLFCRWVPGQAZJV-SECBINFHSA-N 0 0 439.579 4.722 50 0 IJAARN COc1ccc(-n2nc3nc(NCc4ccccc4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037360460 569181451 /nfs/dbraw/zinc/18/14/51/569181451.db2.gz TWNOXBRMYBGVIT-UHFFFAOYSA-N 0 0 440.482 4.825 50 0 IJAARN CC(C)c1ccc(-c2nc(NC[C@@H]3CCCO3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037361555 569181578 /nfs/dbraw/zinc/18/15/78/569181578.db2.gz OJMVWEBYBILFTI-NRFANRHFSA-N 0 0 442.567 4.838 50 0 IJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCCC3)CC(=O)N21 ZINC000002109198 569181668 /nfs/dbraw/zinc/18/16/68/569181668.db2.gz RPGHJCQAGNWENJ-IGKIAQTJSA-N 0 0 441.575 4.884 50 0 biogenic IJAARN CCN(CC)S(=O)(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C ZINC000252452906 569184153 /nfs/dbraw/zinc/18/41/53/569184153.db2.gz NAWMQCOLNLIPHN-CRAIPNDOSA-N 0 0 431.989 4.916 50 0 IJAARN O=S(=O)(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccc(F)c1 ZINC000208006531 569184689 /nfs/dbraw/zinc/18/46/89/569184689.db2.gz QBWMCWIFDOZXJJ-UHFFFAOYSA-N 0 0 426.498 4.889 50 0 IJAARN Cc1ccc(C(=O)N2CCCN(c3cc(Oc4ccc(F)c(Cl)c4)ncn3)CC2)cc1 ZINC000037376415 569185446 /nfs/dbraw/zinc/18/54/46/569185446.db2.gz UGTLKIPEUZMCIE-UHFFFAOYSA-N 0 0 440.906 4.722 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000001170718 569185514 /nfs/dbraw/zinc/18/55/14/569185514.db2.gz RWLAQDCHOMIIKA-MRXNPFEDSA-N 0 0 448.778 4.855 50 0 IJAARN COc1ccc(-n2nc3nc(NC(C)C)nc(-c4ccc(F)c(Cl)c4)c3c2N)cc1 ZINC000037377482 569185650 /nfs/dbraw/zinc/18/56/50/569185650.db2.gz IZYAAXBQVWUZKY-UHFFFAOYSA-N 0 0 426.883 4.686 50 0 IJAARN CC(C)Oc1ccc(OCCn2cc(/C=C3\C(=O)N(C)C(=S)N3C)c3ccccc32)cc1 ZINC000002144358 569186671 /nfs/dbraw/zinc/18/66/71/569186671.db2.gz KZKSDXXPJJPRCE-HZHRSRAPSA-N 0 0 449.576 4.537 50 0 IJAARN CC(C)N1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000011667761 569188509 /nfs/dbraw/zinc/18/85/09/569188509.db2.gz MPTNNUSEVMQEPH-UHFFFAOYSA-N 0 0 435.549 4.658 50 0 IJAARN COc1ccc(-c2csc(C3=C(N)N(CCCc4nc5ccccc5[nH]4)CC3=O)n2)cc1 ZINC000252550177 569190889 /nfs/dbraw/zinc/19/08/89/569190889.db2.gz SDYWCSKZJHHKFG-UHFFFAOYSA-N 0 0 445.548 4.890 50 0 IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037384944 569192246 /nfs/dbraw/zinc/19/22/46/569192246.db2.gz ZWPSKPODWNSCMT-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN O=C(c1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21)N1CCCCC1 ZINC000002200241 569192402 /nfs/dbraw/zinc/19/24/02/569192402.db2.gz VICZAFXUSJXMQA-FQEVSTJZSA-N 0 0 428.532 4.861 50 0 IJAARN Cc1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)n(Cc2ccc(F)cc2F)c1C ZINC000037397293 569193205 /nfs/dbraw/zinc/19/32/05/569193205.db2.gz XUZPSKCGEBZKPE-UHFFFAOYSA-N 0 0 441.497 4.841 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccccc1Br ZINC000002209193 569194084 /nfs/dbraw/zinc/19/40/84/569194084.db2.gz WOFPJDNKHCWFCE-UHFFFAOYSA-N 0 0 425.311 4.553 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Cl)cc12 ZINC000002208568 569194086 /nfs/dbraw/zinc/19/40/86/569194086.db2.gz BNFRLPLVQNCUQH-UHFFFAOYSA-N 0 0 432.856 4.644 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000037401153 569195144 /nfs/dbraw/zinc/19/51/44/569195144.db2.gz BUZHWMITXFAQRU-INIZCTEOSA-N 0 0 436.549 4.702 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2)cc1OC ZINC000037441022 569196721 /nfs/dbraw/zinc/19/67/21/569196721.db2.gz FLWMROXDYQIQEL-FQEVSTJZSA-N 0 0 442.531 4.801 50 0 IJAARN CC(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441363 569196873 /nfs/dbraw/zinc/19/68/73/569196873.db2.gz TXQITDHDZQEYRQ-IBGZPJMESA-N 0 0 437.437 4.958 50 0 IJAARN CC(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442357 569197075 /nfs/dbraw/zinc/19/70/75/569197075.db2.gz QCUGLLBEENQHCE-IBGZPJMESA-N 0 0 437.437 4.958 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000007719048 569197780 /nfs/dbraw/zinc/19/77/80/569197780.db2.gz SCMQLBSYTBGVSB-UHFFFAOYSA-N 0 0 425.504 4.718 50 0 IJAARN CCN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1)C1CCCCC1 ZINC000037525297 569198985 /nfs/dbraw/zinc/19/89/85/569198985.db2.gz FKQREDMROZCDDJ-UHFFFAOYSA-N 0 0 439.625 4.942 50 0 IJAARN COc1ccccc1CCNC(=O)c1cc2sc(Br)cc2n1CC1CC1 ZINC000037527072 569199186 /nfs/dbraw/zinc/19/91/86/569199186.db2.gz NODXPQGTKFXESA-UHFFFAOYSA-N 0 0 433.371 4.856 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000037543113 569199445 /nfs/dbraw/zinc/19/94/45/569199445.db2.gz WCXLLMPUMGOGQN-CQSZACIVSA-N 0 0 437.334 4.562 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037544425 569199681 /nfs/dbraw/zinc/19/96/81/569199681.db2.gz YRNUJTYVYBEHIY-CQSZACIVSA-N 0 0 437.334 4.562 50 0 IJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)N1CCSCC1 ZINC000037547010 569199890 /nfs/dbraw/zinc/19/98/90/569199890.db2.gz KGQARWMRXUWARA-UHFFFAOYSA-N 0 0 425.529 4.620 50 0 IJAARN COc1ccccc1Oc1c(CCC(=O)NCc2ccco2)c(C)nn1-c1ccc(F)cc1 ZINC000037547344 569200078 /nfs/dbraw/zinc/20/00/78/569200078.db2.gz VZYADIYTLUWUIR-UHFFFAOYSA-N 0 0 449.482 4.963 50 0 IJAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NC[C@H]2CCCO2)cc1 ZINC000037556981 569200686 /nfs/dbraw/zinc/20/06/86/569200686.db2.gz ITILFBZOHPVYNL-HSZRJFAPSA-N 0 0 448.588 4.741 50 0 IJAARN CCC(=O)N1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602814 569202520 /nfs/dbraw/zinc/20/25/20/569202520.db2.gz BTYCTHFTDCEDGB-MUUNZHRXSA-N 0 0 442.559 4.574 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NC(C)C)cc2[C@@H]1c1cccc(F)c1 ZINC000037603369 569202633 /nfs/dbraw/zinc/20/26/33/569202633.db2.gz KZGAKVIPMXBKOP-BVZFJXPGSA-N 0 0 440.559 4.638 50 0 IJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1OC ZINC000002222377 569204590 /nfs/dbraw/zinc/20/45/90/569204590.db2.gz DKEPVIIMNACYSG-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1ccc2[nH]c(CCN3C(=O)c4[nH]nc(-c5ccccc5)c4[C@@H]3c3cccnc3)cc2c1 ZINC000066087588 569205638 /nfs/dbraw/zinc/20/56/38/569205638.db2.gz SPACFUINEQBVGB-SANMLTNESA-N 0 0 449.514 4.750 50 0 IJAARN COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nc(C)cs1 ZINC000002235273 569212116 /nfs/dbraw/zinc/21/21/16/569212116.db2.gz YHCJDMAPNOBGRK-GOSISDBHSA-N 0 0 438.892 4.970 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000002236293 569212233 /nfs/dbraw/zinc/21/22/33/569212233.db2.gz UEFDOFAICXXQID-SOFGYWHQSA-N 0 0 442.320 4.979 50 0 IJAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002252083 569214082 /nfs/dbraw/zinc/21/40/82/569214082.db2.gz MMHRPXPTVWATMI-UHFFFAOYSA-N 0 0 427.895 4.739 50 0 IJAARN COc1ccc(CCNC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1OC ZINC000009805204 569217055 /nfs/dbraw/zinc/21/70/55/569217055.db2.gz FCQMWZRQWOJNOJ-UHFFFAOYSA-N 0 0 439.581 4.527 50 0 IJAARN CCOC(=O)c1ccc(N[C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1 ZINC000002270704 569217083 /nfs/dbraw/zinc/21/70/83/569217083.db2.gz XQAMWVABHLSOCJ-RUZDIDTESA-N 0 0 441.531 4.863 50 0 IJAARN COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000009959015 569217155 /nfs/dbraw/zinc/21/71/55/569217155.db2.gz XJGZWZIDZLVYHC-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CSc1ccccc1 ZINC000002276672 569217825 /nfs/dbraw/zinc/21/78/25/569217825.db2.gz CPDRHADMEUQRJX-UHFFFAOYSA-N 0 0 433.327 4.838 50 0 IJAARN Cc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000027521012 569218276 /nfs/dbraw/zinc/21/82/76/569218276.db2.gz RKUXNZMJTKHZOK-XKZIYDEJSA-N 0 0 428.488 4.750 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccccc4)C32)c(OC)c1 ZINC000002285948 569264043 /nfs/dbraw/zinc/26/40/43/569264043.db2.gz ZJXADUIYZQHNDH-RPBOFIJWSA-N 0 0 438.487 4.508 50 0 IJAARN O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000253403950 569265145 /nfs/dbraw/zinc/26/51/45/569265145.db2.gz QRMVZVOXKDVKQS-UHFFFAOYSA-N 0 0 439.003 4.606 50 0 IJAARN COC(=O)c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)cc1 ZINC000253405392 569265241 /nfs/dbraw/zinc/26/52/41/569265241.db2.gz IGRZAMVKZGKWNA-LJQANCHMSA-N 0 0 444.414 4.827 50 0 biogenic IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccccc2Br)cc1 ZINC000027532191 569266497 /nfs/dbraw/zinc/26/64/97/569266497.db2.gz VZTKBZVFGXFYMY-UHFFFAOYSA-N 0 0 436.309 4.578 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3scnc3Cl)n2)CC1 ZINC000253427422 569267360 /nfs/dbraw/zinc/26/73/60/569267360.db2.gz UAGROCSANDSRMO-UHFFFAOYSA-N 0 0 428.967 4.620 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000002298789 569268382 /nfs/dbraw/zinc/26/83/82/569268382.db2.gz BISAEKLFYMCWFS-LFVJCYFKSA-N 0 0 443.934 4.951 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc(Br)c1OCC ZINC000002312894 569273052 /nfs/dbraw/zinc/27/30/52/569273052.db2.gz VPNQLHDJCSKTED-YBEGLDIGSA-N 0 0 434.261 4.730 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@]12C=C(C)[C@H](c1cc(C)ccc1OC)CC2=O ZINC000253471650 569282670 /nfs/dbraw/zinc/28/26/70/569282670.db2.gz WQVSDWDDNOWAJV-WRSHRIPBSA-N 0 0 437.580 4.992 50 0 IJAARN COc1ccc([C@@H]2Oc3ccc(F)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002363150 569287841 /nfs/dbraw/zinc/28/78/41/569287841.db2.gz CTTVQNNUWJPABR-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002367677 569288410 /nfs/dbraw/zinc/28/84/10/569288410.db2.gz BORMPAQYHJFDNU-UHFFFAOYSA-N 0 0 428.517 4.551 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)c(Cl)cc12 ZINC000002369308 569288857 /nfs/dbraw/zinc/28/88/57/569288857.db2.gz DYZIGVLCWNDFCB-HXUWFJFHSA-N 0 0 443.883 4.926 50 0 IJAARN Cc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002385229 569294289 /nfs/dbraw/zinc/29/42/89/569294289.db2.gz DCAUMYOVVNMTKQ-QFIPXVFZSA-N 0 0 449.503 4.762 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000027756046 569296751 /nfs/dbraw/zinc/29/67/51/569296751.db2.gz WLIWQKSANXLCQH-SFHVURJKSA-N 0 0 448.371 4.976 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000002393522 569298134 /nfs/dbraw/zinc/29/81/34/569298134.db2.gz IXFHJTKQKDZMFY-UHFFFAOYSA-N 0 0 443.883 4.621 50 0 IJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1OC)CC2=O)c1ccccc1 ZINC000002402798 569299773 /nfs/dbraw/zinc/29/97/73/569299773.db2.gz KXNNDYPHMSSKBY-PKOBYXMFSA-N 0 0 445.519 4.539 50 0 IJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1OC)CC2=O)c1ccccc1 ZINC000002402796 569299799 /nfs/dbraw/zinc/29/97/99/569299799.db2.gz KXNNDYPHMSSKBY-IEBWSBKVSA-N 0 0 445.519 4.539 50 0 IJAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(SCC(N)=O)n1 ZINC000002407606 569300352 /nfs/dbraw/zinc/30/03/52/569300352.db2.gz AKHVDPPAAGFFGV-UHFFFAOYSA-N 0 0 448.639 4.514 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)s1 ZINC000002422861 569302278 /nfs/dbraw/zinc/30/22/78/569302278.db2.gz ATRXMAAYEBFAOM-LJQANCHMSA-N 0 0 435.480 4.732 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002426685 569302672 /nfs/dbraw/zinc/30/26/72/569302672.db2.gz BUKNJEFSAIALRT-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN O=c1c2c(nc(SCCO)n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002430709 569303212 /nfs/dbraw/zinc/30/32/12/569303212.db2.gz OQBUZTJEIVJGJB-UHFFFAOYSA-N 0 0 432.589 4.801 50 0 biogenic IJAARN CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002434156 569303513 /nfs/dbraw/zinc/30/35/13/569303513.db2.gz HJFSCZPWWMHGED-FOIQADDNSA-N 0 0 441.936 4.893 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002435268 569303805 /nfs/dbraw/zinc/30/38/05/569303805.db2.gz BHPIJXRTBMRPLA-HXUWFJFHSA-N 0 0 447.516 4.607 50 0 IJAARN CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002438117 569303882 /nfs/dbraw/zinc/30/38/82/569303882.db2.gz XJUXEFPGGBNUFE-JOCHJYFZSA-N 0 0 449.503 4.672 50 0 IJAARN CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1=O ZINC000002443351 569304228 /nfs/dbraw/zinc/30/42/28/569304228.db2.gz HJARQHIPHZTQBJ-PGMHBOJBSA-N 0 0 433.577 4.842 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000013009744 569306631 /nfs/dbraw/zinc/30/66/31/569306631.db2.gz QJHHFCSZAMHXFQ-UHFFFAOYSA-N 0 0 428.496 4.592 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)cc1 ZINC000013010340 569306892 /nfs/dbraw/zinc/30/68/92/569306892.db2.gz IIMXPESEBWHSOJ-UHFFFAOYSA-N 0 0 430.551 4.642 50 0 IJAARN CCN(CC(=O)Nc1ccccc1SC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013069564 569308914 /nfs/dbraw/zinc/30/89/14/569308914.db2.gz JVOYRQAXDDWGPL-UHFFFAOYSA-N 0 0 426.369 4.614 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000013075800 569309277 /nfs/dbraw/zinc/30/92/77/569309277.db2.gz JLUIECSOCJBDHO-HXUWFJFHSA-N 0 0 444.531 4.601 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1C ZINC000013098424 569309919 /nfs/dbraw/zinc/30/99/19/569309919.db2.gz FOGGQPBESDIDIZ-UHFFFAOYSA-N 0 0 430.555 4.687 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc2c(c1)CCCC2 ZINC000013113003 569310561 /nfs/dbraw/zinc/31/05/61/569310561.db2.gz WGUPRTRZIHGCJK-UHFFFAOYSA-N 0 0 430.533 4.835 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000013114969 569310746 /nfs/dbraw/zinc/31/07/46/569310746.db2.gz IEUXUEHFARBYDF-LJQANCHMSA-N 0 0 443.576 4.528 50 0 IJAARN Cc1csc2nc(CSc3nnc(-c4ccco4)n3C3CCCCC3)cc(=O)n12 ZINC000013117616 569310982 /nfs/dbraw/zinc/31/09/82/569310982.db2.gz JFJFFSBMVNCRPJ-UHFFFAOYSA-N 0 0 427.555 4.713 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc(SCCOc3cccc(Cl)c3)n2N)cc1 ZINC000013139567 569311641 /nfs/dbraw/zinc/31/16/41/569311641.db2.gz WULHGGICTDUXMZ-UHFFFAOYSA-N 0 0 432.977 4.693 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000013149430 569312269 /nfs/dbraw/zinc/31/22/69/569312269.db2.gz WHROASGLLNGDDW-UHFFFAOYSA-N 0 0 439.414 4.623 50 0 IJAARN Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)c1 ZINC000002456533 569312733 /nfs/dbraw/zinc/31/27/33/569312733.db2.gz BDDZVLDVZORXNH-DEOSSOPVSA-N 0 0 449.348 4.870 50 0 IJAARN O=C(CCC1CCCC1)N1CCC(C(=O)NCc2csc(-c3cccs3)n2)CC1 ZINC000013354072 569313410 /nfs/dbraw/zinc/31/34/10/569313410.db2.gz CZQDNPOIADCGOH-UHFFFAOYSA-N 0 0 431.627 4.697 50 0 IJAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccc(C)cc4)c3)cc2=O)s1 ZINC000013368256 569314593 /nfs/dbraw/zinc/31/45/93/569314593.db2.gz CPZDGCYRBUGRIT-UHFFFAOYSA-N 0 0 448.548 4.633 50 0 IJAARN CCS(=O)(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl ZINC000328596983 569317970 /nfs/dbraw/zinc/31/79/70/569317970.db2.gz CCSJPQNFJOIRJK-LJQANCHMSA-N 0 0 443.956 4.706 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1 ZINC000328600773 569318118 /nfs/dbraw/zinc/31/81/18/569318118.db2.gz ZRSTXFYDLNHQMC-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN COc1cc(C(=O)N(CCNC(C)=O)Cc2ccccc2)cc(Cl)c1OCCC(C)C ZINC000078815120 569319282 /nfs/dbraw/zinc/31/92/82/569319282.db2.gz GZLFAFQOPPDGDL-UHFFFAOYSA-N 0 0 446.975 4.552 50 0 IJAARN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)n1 ZINC000078879207 569319974 /nfs/dbraw/zinc/31/99/74/569319974.db2.gz KMSYLYYJDWQUGB-HNNXBMFYSA-N 0 0 442.350 4.864 50 0 IJAARN Cc1nccc(C(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)n1 ZINC000079015564 569321977 /nfs/dbraw/zinc/32/19/77/569321977.db2.gz HNQOSNUYFPFVML-UHFFFAOYSA-N 0 0 442.704 4.997 50 0 IJAARN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000079019704 569322333 /nfs/dbraw/zinc/32/23/33/569322333.db2.gz BKGVWSUEBADYPE-WBBHLRKXSA-N 0 0 434.561 4.508 50 0 IJAARN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000079019709 569322381 /nfs/dbraw/zinc/32/23/81/569322381.db2.gz BKGVWSUEBADYPE-XJFCNFDWSA-N 0 0 434.561 4.508 50 0 IJAARN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCN(C)CC1 ZINC000019880257 569331598 /nfs/dbraw/zinc/33/15/98/569331598.db2.gz VNRUTIFIWNEGGV-XMMPIXPASA-N 0 0 449.620 4.963 50 0 IJAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)NCc1ccccc1Cl ZINC000020069462 569333207 /nfs/dbraw/zinc/33/32/07/569333207.db2.gz VBOIPXCMBLXSNS-UHFFFAOYSA-N 0 0 426.973 4.682 50 0 IJAARN CCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1ccc(C)c(C)c1 ZINC000020104607 569334127 /nfs/dbraw/zinc/33/41/27/569334127.db2.gz JXJLBCJTBNGTFO-UHFFFAOYSA-N 0 0 436.552 4.958 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(C)cc1 ZINC000020133857 569335574 /nfs/dbraw/zinc/33/55/74/569335574.db2.gz CJMNUPLPRHZCPN-FQEVSTJZSA-N 0 0 438.528 4.870 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1ccc(C)cc1 ZINC000020135283 569335687 /nfs/dbraw/zinc/33/56/87/569335687.db2.gz SHAXWUJDYFLTFY-FQEVSTJZSA-N 0 0 438.528 4.870 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21)NCc1ccc(Cl)cc1 ZINC000020180805 569355158 /nfs/dbraw/zinc/35/51/58/569355158.db2.gz PXHNFWRQKKZPJV-LPYMAVHISA-N 0 0 436.870 4.562 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NCc1ccccc1 ZINC000020180897 569355233 /nfs/dbraw/zinc/35/52/33/569355233.db2.gz UCZBUKIAHMJOBU-XKZIYDEJSA-N 0 0 436.870 4.562 50 0 IJAARN COc1ccc2nc3oc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)cc3cc2c1 ZINC000020210034 569356172 /nfs/dbraw/zinc/35/61/72/569356172.db2.gz SDUCDXYQPSXCMP-UHFFFAOYSA-N 0 0 435.911 4.914 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(C)=O)c1 ZINC000095116644 569358288 /nfs/dbraw/zinc/35/82/88/569358288.db2.gz GSURGGKRRNWFQI-QHCPKHFHSA-N 0 0 426.476 4.839 50 0 IJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(Cc1ccccc1Cl)C2 ZINC000020319986 569360195 /nfs/dbraw/zinc/36/01/95/569360195.db2.gz ACTQDINRNONHLK-UHFFFAOYSA-N 0 0 431.323 4.876 50 0 IJAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N(Cc4ccco4)[C@@H]4CCC[C@H](C)[C@H]4C)c3c2c1 ZINC000020322013 569360248 /nfs/dbraw/zinc/36/02/48/569360248.db2.gz OXHYETYIZIKYIC-NJNPRVFISA-N 0 0 447.535 4.898 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C(C)C)cc3)C(C)C)cc2s1 ZINC000020326300 569360519 /nfs/dbraw/zinc/36/05/19/569360519.db2.gz QATIOLFOHMECRX-NRFANRHFSA-N 0 0 445.610 4.670 50 0 IJAARN CCN1CCC[C@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000020379517 569362546 /nfs/dbraw/zinc/36/25/46/569362546.db2.gz HYKSVLBMESNUFG-SFHVURJKSA-N 0 0 443.950 4.754 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3cc(C)ccc3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417828 569365058 /nfs/dbraw/zinc/36/50/58/569365058.db2.gz MGCQSWDOWJMXMZ-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN COCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020418025 569365237 /nfs/dbraw/zinc/36/52/37/569365237.db2.gz QDGRIMLIQOLUBG-HSZRJFAPSA-N 0 0 427.884 4.651 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000095451217 569367740 /nfs/dbraw/zinc/36/77/40/569367740.db2.gz JAMWSSANMSMGEJ-VQIMIIECSA-N 0 0 432.854 4.540 50 0 IJAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000095454906 569368379 /nfs/dbraw/zinc/36/83/79/569368379.db2.gz CIYCILITTUWUJJ-KRWDZBQOSA-N 0 0 431.418 4.782 50 0 IJAARN COc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000095459181 569369344 /nfs/dbraw/zinc/36/93/44/569369344.db2.gz HCSGYRYURNIQQS-IERDGZPVSA-N 0 0 436.556 4.515 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000095462411 569370102 /nfs/dbraw/zinc/37/01/02/569370102.db2.gz HGZOSZZBUUREDF-INIZCTEOSA-N 0 0 443.263 4.691 50 0 IJAARN COc1cccc(-c2nsc(NC(=O)N(C)Cc3ccccc3Br)n2)c1 ZINC000095466967 569371047 /nfs/dbraw/zinc/37/10/47/569371047.db2.gz ZZDAYWISCCXEGR-UHFFFAOYSA-N 0 0 433.331 4.640 50 0 IJAARN COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095478323 569373522 /nfs/dbraw/zinc/37/35/22/569373522.db2.gz HDJPOAXVUQQLIT-INIZCTEOSA-N 0 0 446.908 4.692 50 0 IJAARN COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000095946548 569376096 /nfs/dbraw/zinc/37/60/96/569376096.db2.gz FHLWBTVKIFOZPE-VIFPVBQESA-N 0 0 449.128 4.554 50 0 IJAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N(C)c1ccc(F)cc1 ZINC000095954330 569376837 /nfs/dbraw/zinc/37/68/37/569376837.db2.gz QTBXTWHXCQJJDT-UHFFFAOYSA-N 0 0 431.261 4.734 50 0 IJAARN CC[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095992924 569378281 /nfs/dbraw/zinc/37/82/81/569378281.db2.gz HVFFAMQQQADFSN-UONOGXRCSA-N 0 0 438.393 4.954 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103477 569381995 /nfs/dbraw/zinc/38/19/95/569381995.db2.gz LQKVWJBHJGACPK-JOCHJYFZSA-N 0 0 439.964 4.547 50 0 IJAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(C(C)C)cc2)cc(=O)c1O ZINC000096114915 569383068 /nfs/dbraw/zinc/38/30/68/569383068.db2.gz RHWNVIGDLOYQQU-HXUWFJFHSA-N 0 0 439.533 4.851 50 0 biogenic IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1cccc3ncccc31)C(=O)OC2 ZINC000096115234 569383129 /nfs/dbraw/zinc/38/31/29/569383129.db2.gz AOMIMZNZMYVLHR-OQLLNIDSSA-N 0 0 446.503 4.836 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccnc2N2CCCCC2)S1 ZINC000096116936 569384010 /nfs/dbraw/zinc/38/40/10/569384010.db2.gz RMSMDNHMMCJBEC-VQIMIIECSA-N 0 0 441.601 4.578 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183778 569386059 /nfs/dbraw/zinc/38/60/59/569386059.db2.gz NPHFUBNYGHPTLM-AREMUKBSSA-N 0 0 434.605 4.708 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 ZINC000096183777 569386077 /nfs/dbraw/zinc/38/60/77/569386077.db2.gz NPHFUBNYGHPTLM-SANMLTNESA-N 0 0 434.605 4.708 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCCc4c5cc(Cl)ccc5[nH]c43)ccc12 ZINC000096222678 569387179 /nfs/dbraw/zinc/38/71/79/569387179.db2.gz UHTXFHNDHGCPCF-FQEVSTJZSA-N 0 0 436.895 4.809 50 0 biogenic IJAARN CCOc1ccc([C@H](CC(=O)N2CCN(CC)CC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275699 569388416 /nfs/dbraw/zinc/38/84/16/569388416.db2.gz RPOHUZMGBBWSRU-DEOSSOPVSA-N 0 0 433.596 4.815 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)[C@@H]3CCC[C@@H](OC)C3)ccc21 ZINC000096276929 569388667 /nfs/dbraw/zinc/38/86/67/569388667.db2.gz NKTQXDNZPRTXEV-DENIHFKCSA-N 0 0 433.552 4.735 50 0 IJAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000096280156 569389600 /nfs/dbraw/zinc/38/96/00/569389600.db2.gz KFIDTAISGRPUMJ-HSZRJFAPSA-N 0 0 436.464 4.585 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2)C(=O)NC1CC1 ZINC000096281148 569389838 /nfs/dbraw/zinc/38/98/38/569389838.db2.gz OSJIQUYMXCKFQV-FTJBHMTQSA-N 0 0 446.591 4.787 50 0 IJAARN CCn1c(SCc2ccccc2C(=O)NCc2ccc(F)cc2)nnc1-c1ccco1 ZINC000096289618 569390646 /nfs/dbraw/zinc/39/06/46/569390646.db2.gz MSFBSHJUIMJEMC-UHFFFAOYSA-N 0 0 436.512 4.919 50 0 IJAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)NC3CC3)nnc2-c2ccncc2)c1 ZINC000096291084 569391118 /nfs/dbraw/zinc/39/11/18/569391118.db2.gz LDQJAWANXAAUOF-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN O=C(c1cccs1)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)CC1CC1 ZINC000096291359 569391169 /nfs/dbraw/zinc/39/11/69/569391169.db2.gz KYEVMAOHJOEFJQ-UHFFFAOYSA-N 0 0 445.537 4.707 50 0 IJAARN COc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccc(C)cc3)n2)cc1 ZINC000096293521 569391638 /nfs/dbraw/zinc/39/16/38/569391638.db2.gz NUGSHWRKLZHDSF-UHFFFAOYSA-N 0 0 441.531 4.981 50 0 IJAARN CC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000096294513 569391771 /nfs/dbraw/zinc/39/17/71/569391771.db2.gz VXLSVKCHZUYASW-UHFFFAOYSA-N 0 0 433.913 4.558 50 0 IJAARN Cc1nc(C(C)C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317870 569393637 /nfs/dbraw/zinc/39/36/37/569393637.db2.gz OHWXYBAOTYOLIB-UHFFFAOYSA-N 0 0 446.998 4.986 50 0 IJAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)cc1 ZINC000096322773 569394872 /nfs/dbraw/zinc/39/48/72/569394872.db2.gz ZYNDHFOMAOARMD-UHFFFAOYSA-N 0 0 444.509 4.973 50 0 IJAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)Nc1ccc3c(c1)OCCO3)N2Cc1ccc(F)cc1 ZINC000096323016 569395009 /nfs/dbraw/zinc/39/50/09/569395009.db2.gz XUZXDEINLXOETD-OAQYLSRUSA-N 0 0 448.494 4.702 50 0 IJAARN COc1cccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000096335963 569396633 /nfs/dbraw/zinc/39/66/33/569396633.db2.gz YWQCCTCTBDBCCY-REWPJTCUSA-N 0 0 447.874 4.987 50 0 IJAARN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)c1ccc(OCc3ccccc3)cc1O2 ZINC000096341533 569396908 /nfs/dbraw/zinc/39/69/08/569396908.db2.gz KYNUNTVFVCXTPZ-OAQYLSRUSA-N 0 0 425.525 4.851 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000096344440 569397022 /nfs/dbraw/zinc/39/70/22/569397022.db2.gz IWTUTTLZWQUFTG-VWLOTQADSA-N 0 0 448.607 4.952 50 0 IJAARN CC[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)c1cccs1 ZINC000096372475 569397884 /nfs/dbraw/zinc/39/78/84/569397884.db2.gz WEXGCRJUZXNHGC-SFHVURJKSA-N 0 0 436.581 4.767 50 0 IJAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1cc(F)ccc1F ZINC000096386639 569398624 /nfs/dbraw/zinc/39/86/24/569398624.db2.gz RIGSGPXTJCVIFU-UHFFFAOYSA-N 0 0 427.480 4.619 50 0 IJAARN Cc1ccc(-n2c(CC(=O)NCc3ccc(OC(C)C)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000096386986 569398782 /nfs/dbraw/zinc/39/87/82/569398782.db2.gz USOHVDLSVHXWMS-HSZRJFAPSA-N 0 0 429.520 4.585 50 0 IJAARN Cc1oc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc1C(=O)N1CCCCC1 ZINC000096396912 569399252 /nfs/dbraw/zinc/39/92/52/569399252.db2.gz RQMBETXUDOEZTE-UHFFFAOYSA-N 0 0 437.584 4.926 50 0 IJAARN O=C([C@@H]1Cc2ccccc2N2CCCC[C@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096457178 569400791 /nfs/dbraw/zinc/40/07/91/569400791.db2.gz CSFKRYNIGQQFFV-FYYLOGMGSA-N 0 0 443.513 4.585 50 0 IJAARN O=C(NC1CCCCC1)[C@@]12CCCC[C@@H]1SCCC(=O)N2Cc1ccc(Cl)cc1 ZINC000096576703 569401542 /nfs/dbraw/zinc/40/15/42/569401542.db2.gz OSMFFVIRLQLILJ-NZQKXSOJSA-N 0 0 435.033 4.936 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc(OC)c1OC ZINC000002474928 569404432 /nfs/dbraw/zinc/40/44/32/569404432.db2.gz ZEGZLCUOFGSSHK-UHFFFAOYSA-N 0 0 445.928 4.551 50 0 IJAARN O=C(Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1)c1ccccc1 ZINC000002475215 569404440 /nfs/dbraw/zinc/40/44/40/569404440.db2.gz GJLDGQVAQAFIST-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN CSc1ccccc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1 ZINC000225561719 569404496 /nfs/dbraw/zinc/40/44/96/569404496.db2.gz RMVFURBRWZUGDS-UHFFFAOYSA-N 0 0 438.528 4.543 50 0 IJAARN O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000225626678 569405941 /nfs/dbraw/zinc/40/59/41/569405941.db2.gz MCLWABLVOXUJRX-UHFFFAOYSA-N 0 0 444.922 4.875 50 0 IJAARN CCOc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1OCC ZINC000002502989 569406021 /nfs/dbraw/zinc/40/60/21/569406021.db2.gz RYRJJMZPXWWPIG-DEOSSOPVSA-N 0 0 438.549 4.799 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225705912 569407366 /nfs/dbraw/zinc/40/73/66/569407366.db2.gz WHEMITHPJLEVAE-UHFFFAOYSA-N 0 0 431.319 4.990 50 0 IJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000028243450 569409430 /nfs/dbraw/zinc/40/94/30/569409430.db2.gz XFVFMZREAPHZNU-UHFFFAOYSA-N 0 0 436.562 4.950 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)n(-c2ccccc2)n1 ZINC000002623391 569411403 /nfs/dbraw/zinc/41/14/03/569411403.db2.gz RASBNHIPMPRTHC-UHFFFAOYSA-N 0 0 433.537 4.951 50 0 IJAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1Cc1ccccc1 ZINC000002624202 569411472 /nfs/dbraw/zinc/41/14/72/569411472.db2.gz NIMSZYNNJKCEMQ-UHFFFAOYSA-N 0 0 437.425 4.588 50 0 IJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3nnc(-c4ccccc4)o3)s2)cc1C ZINC000002626186 569411790 /nfs/dbraw/zinc/41/17/90/569411790.db2.gz SIXRLPBQVKTTCO-UHFFFAOYSA-N 0 0 438.538 4.679 50 0 IJAARN Cc1cc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000002630013 569412239 /nfs/dbraw/zinc/41/22/39/569412239.db2.gz SCVKUVPXJQDSSJ-HSZRJFAPSA-N 0 0 431.532 4.842 50 0 IJAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCC3=CCCCC3)c2c1 ZINC000215697167 569412451 /nfs/dbraw/zinc/41/24/51/569412451.db2.gz OKZMLIFLVZOMBO-XYGWBWBKSA-N 0 0 443.547 4.954 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c(C)c1 ZINC000002632245 569412531 /nfs/dbraw/zinc/41/25/31/569412531.db2.gz LGJLHSIHOOJRBT-UHFFFAOYSA-N 0 0 428.598 4.577 50 0 IJAARN COCCn1c(=O)c2c3c(sc2nc1SCc1nc2ccccc2s1)CCCC3 ZINC000002635237 569412880 /nfs/dbraw/zinc/41/28/80/569412880.db2.gz CCEHLXLOUBOQKC-UHFFFAOYSA-N 0 0 443.619 4.885 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000002642338 569413771 /nfs/dbraw/zinc/41/37/71/569413771.db2.gz NKSKLDGUWIGSTH-UHFFFAOYSA-N 0 0 440.499 4.726 50 0 IJAARN C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002649723 569414634 /nfs/dbraw/zinc/41/46/34/569414634.db2.gz DVHMVMBTKQSWIM-JTQLQIEISA-N 0 0 433.835 4.954 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000002654522 569415238 /nfs/dbraw/zinc/41/52/38/569415238.db2.gz CBFJVEZTFCXUIH-UHFFFAOYSA-N 0 0 427.548 4.772 50 0 IJAARN Nn1c(Cc2cccc3ccccc32)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000002657239 569415569 /nfs/dbraw/zinc/41/55/69/569415569.db2.gz ZINQTRQEAYNVDI-UHFFFAOYSA-N 0 0 448.939 4.732 50 0 IJAARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccccc1 ZINC000002659014 569415759 /nfs/dbraw/zinc/41/57/59/569415759.db2.gz BZIAGSPQCQOGIH-UHFFFAOYSA-N 0 0 441.578 4.545 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002663923 569416377 /nfs/dbraw/zinc/41/63/77/569416377.db2.gz BHBTWLJQTOAXNG-INIZCTEOSA-N 0 0 443.263 4.861 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cc(F)cc(F)c3)cc2)cc1 ZINC000028663216 569416857 /nfs/dbraw/zinc/41/68/57/569416857.db2.gz XJFQLORHSPXQQO-UHFFFAOYSA-N 0 0 425.435 4.666 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691242 569416992 /nfs/dbraw/zinc/41/69/92/569416992.db2.gz GQIPUVHCUPGBQG-UHFFFAOYSA-N 0 0 443.499 4.615 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724531 569418491 /nfs/dbraw/zinc/41/84/91/569418491.db2.gz UKTMXHKAQBBKKR-QHCPKHFHSA-N 0 0 441.314 4.943 50 0 IJAARN O=C(c1ccc(COc2ccc(I)cc2)cc1)N1CCCCCC1 ZINC000002753797 569420446 /nfs/dbraw/zinc/42/04/46/569420446.db2.gz TZTIXYYCXMGBOP-UHFFFAOYSA-N 0 0 435.305 4.886 50 0 IJAARN Cc1cc(C(F)(F)F)nn1Cc1nc2c3c(ncn2n1)sc(C)c3-c1ccccc1 ZINC000002792486 569421887 /nfs/dbraw/zinc/42/18/87/569421887.db2.gz YATRCOACMMTKHH-UHFFFAOYSA-N 0 0 428.443 4.886 50 0 IJAARN CCn1cc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)c(C)n1 ZINC000002803173 569422535 /nfs/dbraw/zinc/42/25/35/569422535.db2.gz IAHMBVNAPMCLJH-UHFFFAOYSA-N 0 0 446.507 4.705 50 0 IJAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002908016 569424623 /nfs/dbraw/zinc/42/46/23/569424623.db2.gz RQDBBJSKSVAPOF-ZWKOTPCHSA-N 0 0 443.794 4.804 50 0 IJAARN COc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)c1OC ZINC000002919496 569425249 /nfs/dbraw/zinc/42/52/49/569425249.db2.gz SHZHDSDHTWCNTP-CABCVRRESA-N 0 0 436.846 4.696 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)c1 ZINC000002937987 569426431 /nfs/dbraw/zinc/42/64/31/569426431.db2.gz MOMCLERXGMTYNO-UHFFFAOYSA-N 0 0 434.879 4.914 50 0 IJAARN COc1ccccc1-n1nc(C(=O)N(C)c2cc(Cl)ccc2C)c2ccccc2c1=O ZINC000002943906 569426910 /nfs/dbraw/zinc/42/69/10/569426910.db2.gz MTPFYNMTOVHVQU-UHFFFAOYSA-N 0 0 433.895 4.633 50 0 IJAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H]([C@@H](C)CC)C(=O)N32)cc1 ZINC000002964629 569432924 /nfs/dbraw/zinc/43/29/24/569432924.db2.gz KLPDAACFRMQTBG-BTYIYWSLSA-N 0 0 434.565 4.626 50 0 IJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000057425125 569434366 /nfs/dbraw/zinc/43/43/66/569434366.db2.gz BCTTTWPAFZKUOV-UHFFFAOYSA-N 0 0 427.473 4.618 50 0 IJAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000057426191 569434526 /nfs/dbraw/zinc/43/45/26/569434526.db2.gz NQSHJJGFPBXKDC-UHFFFAOYSA-N 0 0 441.500 4.864 50 0 IJAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1Cl ZINC000057426297 569434593 /nfs/dbraw/zinc/43/45/93/569434593.db2.gz OUKDVSGJYXRRNA-UHFFFAOYSA-N 0 0 425.938 4.637 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3Cl)o2)cc1 ZINC000003005857 569435139 /nfs/dbraw/zinc/43/51/39/569435139.db2.gz KEVXMWFXVAHXMF-UHFFFAOYSA-N 0 0 431.941 4.540 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000003007783 569435218 /nfs/dbraw/zinc/43/52/18/569435218.db2.gz YLUGGUBBGSVPFQ-DOTOQJQBSA-N 0 0 432.923 4.888 50 0 IJAARN O=c1c2cn[nH]c2nc(SCc2c(F)cccc2F)n1-c1cccc(C(F)(F)F)c1 ZINC000003014314 569435434 /nfs/dbraw/zinc/43/54/34/569435434.db2.gz JBYLEFIUIBRDPA-UHFFFAOYSA-N 0 0 438.381 4.698 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1 ZINC000003022191 569436026 /nfs/dbraw/zinc/43/60/26/569436026.db2.gz JYUAVOLBTNPEMZ-UHFFFAOYSA-N 0 0 440.540 4.851 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F ZINC000003024227 569436161 /nfs/dbraw/zinc/43/61/61/569436161.db2.gz NEOCTYXARYXIQS-UHFFFAOYSA-N 0 0 445.343 4.996 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488044 569436893 /nfs/dbraw/zinc/43/68/93/569436893.db2.gz SOKHKRXIIMTNRJ-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2F)CC1 ZINC000003031032 569437620 /nfs/dbraw/zinc/43/76/20/569437620.db2.gz FWDDOCYDUFNGNR-UHFFFAOYSA-N 0 0 445.343 4.805 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F ZINC000003031561 569437739 /nfs/dbraw/zinc/43/77/39/569437739.db2.gz QQILELSRAOQIQU-UHFFFAOYSA-N 0 0 446.544 4.646 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2cccc(Br)c2)cc1 ZINC000003032332 569437849 /nfs/dbraw/zinc/43/78/49/569437849.db2.gz DKBBGOUXQLCALS-UHFFFAOYSA-N 0 0 441.369 4.999 50 0 IJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c1C ZINC000003033487 569437864 /nfs/dbraw/zinc/43/78/64/569437864.db2.gz FVCKNKQNRUVLPM-UHFFFAOYSA-N 0 0 432.955 4.871 50 0 IJAARN COc1cccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)c1 ZINC000003040273 569438117 /nfs/dbraw/zinc/43/81/17/569438117.db2.gz SFZMPIJRJHHFOQ-HSZRJFAPSA-N 0 0 426.944 4.593 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4)c(C)n3n2)cc1 ZINC000003040335 569438339 /nfs/dbraw/zinc/43/83/39/569438339.db2.gz VCDAGPVKVCPOCI-UHFFFAOYSA-N 0 0 431.565 4.625 50 0 IJAARN Cc1cccc(Cn2c(=O)cc(C(=O)NCc3c(F)cc(F)cc3F)c3ccccc32)c1 ZINC000003042732 569438523 /nfs/dbraw/zinc/43/85/23/569438523.db2.gz IONDTKBMJGMQMQ-UHFFFAOYSA-N 0 0 436.433 4.706 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3n2)cc1 ZINC000003044918 569438565 /nfs/dbraw/zinc/43/85/65/569438565.db2.gz IWMJLCULPDVXAR-FQEVSTJZSA-N 0 0 440.499 4.870 50 0 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569441198 /nfs/dbraw/zinc/44/11/98/569441198.db2.gz VZIWZIFXMQZSJT-ALYHBSEJSA-N 0 0 426.564 4.983 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057747995 569441206 /nfs/dbraw/zinc/44/12/06/569441206.db2.gz VZDKSOGGBJIURK-WANOEJIPSA-N 0 0 435.564 4.867 50 0 IJAARN CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000003188317 569441432 /nfs/dbraw/zinc/44/14/32/569441432.db2.gz DNCQNNFCHOSRHQ-UHFFFAOYSA-N 0 0 440.594 4.792 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N1CCC(Cc2ccccc2)CC1 ZINC000003222886 569442001 /nfs/dbraw/zinc/44/20/01/569442001.db2.gz AHQBYSFGPREGIY-UHFFFAOYSA-N 0 0 432.549 4.791 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000003223247 569442054 /nfs/dbraw/zinc/44/20/54/569442054.db2.gz CJPSGLSLPSJPMY-LJQANCHMSA-N 0 0 444.281 4.978 50 0 IJAARN CCOc1cc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc(OCC)c1OCC ZINC000003231721 569442305 /nfs/dbraw/zinc/44/23/05/569442305.db2.gz VMJWEQHGMFTAFA-UHFFFAOYSA-N 0 0 429.513 4.603 50 0 IJAARN O=C(COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)Nc1ccc2c(c1)OCO2 ZINC000003234837 569442407 /nfs/dbraw/zinc/44/24/07/569442407.db2.gz MRMGNCSDVKQVNZ-UHFFFAOYSA-N 0 0 448.711 4.650 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCC(=O)c1ccc(F)cc1 ZINC000003246845 569442769 /nfs/dbraw/zinc/44/27/69/569442769.db2.gz MDILEHKRDBAUOM-OAQYLSRUSA-N 0 0 439.870 4.766 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 ZINC000003247796 569442805 /nfs/dbraw/zinc/44/28/05/569442805.db2.gz DGZGMCONIZKWJM-UHFFFAOYSA-N 0 0 443.528 4.628 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1 ZINC000003256378 569443105 /nfs/dbraw/zinc/44/31/05/569443105.db2.gz WXGCYNLEFOTAQS-UHFFFAOYSA-N 0 0 442.353 4.723 50 0 IJAARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003269125 569443490 /nfs/dbraw/zinc/44/34/90/569443490.db2.gz CLLWWWRNSAKSLM-UHFFFAOYSA-N 0 0 441.620 4.785 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2N)cc1 ZINC000003271211 569443603 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O=C(CCc1nc2ccccc2s1)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003314633 569445654 /nfs/dbraw/zinc/44/56/54/569445654.db2.gz LLPGBBSPUSIQJV-UHFFFAOYSA-N 0 0 447.541 4.937 50 0 IJAARN Cc1cc(C)c(-c2cc(NC(=O)CSc3cccc[n+]3[O-])n(-c3ccccc3)n2)cc1C ZINC000003335484 569446629 /nfs/dbraw/zinc/44/66/29/569446629.db2.gz ZAUAUCTYHUNNJJ-UHFFFAOYSA-N 0 0 444.560 4.829 50 0 IJAARN O=C(COc1ncnc2scc(-c3ccccc3)c21)Nc1ccc(OC(F)F)cc1 ZINC000003346151 569447084 /nfs/dbraw/zinc/44/70/84/569447084.db2.gz WBKDPTBQKBMSKI-UHFFFAOYSA-N 0 0 427.432 4.977 50 0 IJAARN COc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 ZINC000003346568 569447179 /nfs/dbraw/zinc/44/71/79/569447179.db2.gz GVDMQKYTJUCKIX-STQMWFEESA-N 0 0 432.546 4.787 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 ZINC000003348888 569447256 /nfs/dbraw/zinc/44/72/56/569447256.db2.gz RRJFTUKDKWMPPU-UHFFFAOYSA-N 0 0 426.517 4.939 50 0 IJAARN CCCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000003351444 569447354 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447.457 4.637 50 0 IJAARN COc1ccc(CC(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1OC ZINC000030785321 569448321 /nfs/dbraw/zinc/44/83/21/569448321.db2.gz OZNLCIUDJAQXIT-CQSZACIVSA-N 0 0 447.457 4.637 50 0 IJAARN Cc1csc(-c2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2)n1 ZINC000058142645 569448730 /nfs/dbraw/zinc/44/87/30/569448730.db2.gz UCBBYNLIPIALSM-UHFFFAOYSA-N 0 0 436.562 4.817 50 0 IJAARN C[C@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003378791 569448748 /nfs/dbraw/zinc/44/87/48/569448748.db2.gz BJYPXOHCPPEOQG-JXFKEZNVSA-N 0 0 447.501 4.536 50 0 IJAARN Cc1nc2sc3c(c2c(NCC(=O)Nc2ccccc2Br)n1)CC[C@@H](C)C3 ZINC000003380239 569448785 /nfs/dbraw/zinc/44/87/85/569448785.db2.gz JFXPUXDKTYQIPN-LLVKDONJSA-N 0 0 445.386 4.938 50 0 IJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2nc(SC)sc2c1)C(C)C ZINC000003383573 569448901 /nfs/dbraw/zinc/44/89/01/569448901.db2.gz TXWSXFAZLXTYRB-IBGZPJMESA-N 0 0 443.594 4.810 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)CCC2 ZINC000003399947 569449568 /nfs/dbraw/zinc/44/95/68/569449568.db2.gz XMROFXLNHMAYKU-UHFFFAOYSA-N 0 0 430.533 4.806 50 0 IJAARN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000058171495 569449593 /nfs/dbraw/zinc/44/95/93/569449593.db2.gz YLHXZHKPEQAOPP-RUZDIDTESA-N 0 0 436.552 4.669 50 0 IJAARN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000058171496 569449615 /nfs/dbraw/zinc/44/96/15/569449615.db2.gz YLHXZHKPEQAOPP-VWLOTQADSA-N 0 0 436.552 4.669 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)Cn3ncc(Cl)c(Cl)c3=O)cc2)cc1C ZINC000003412109 569450078 /nfs/dbraw/zinc/45/00/78/569450078.db2.gz RSYXPPQUKOLRSA-UHFFFAOYSA-N 0 0 434.348 4.957 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000003410888 569450115 /nfs/dbraw/zinc/45/01/15/569450115.db2.gz IYRBDQCUODZXTH-NRFANRHFSA-N 0 0 449.981 4.755 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 ZINC000003427697 569450587 /nfs/dbraw/zinc/45/05/87/569450587.db2.gz 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COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1OC ZINC000003486880 569452397 /nfs/dbraw/zinc/45/23/97/569452397.db2.gz KWNONYGWVUTCIL-UHFFFAOYSA-N 0 0 446.532 4.630 50 0 IJAARN NC(=O)N[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 ZINC000003486848 569452401 /nfs/dbraw/zinc/45/24/01/569452401.db2.gz UXTJBVAMMYPTKL-HXUWFJFHSA-N 0 0 438.325 4.854 50 0 IJAARN O=C(CNC(=O)c1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1 ZINC000003495721 569452657 /nfs/dbraw/zinc/45/26/57/569452657.db2.gz UJHIGXJKFZGBBW-UHFFFAOYSA-N 0 0 425.282 4.610 50 0 IJAARN CCOC(=O)N(C)C1CCN(C(=O)c2cccnc2Sc2ccc(C)cc2C)CC1 ZINC000058313214 569452980 /nfs/dbraw/zinc/45/29/80/569452980.db2.gz FSILUEZSPSLULE-UHFFFAOYSA-N 0 0 427.570 4.543 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)cc12 ZINC000003530382 569453424 /nfs/dbraw/zinc/45/34/24/569453424.db2.gz CVHLINGRWPRKOZ-HNNXBMFYSA-N 0 0 431.517 4.530 50 0 IJAARN Cc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2N)cc1 ZINC000003531134 569453437 /nfs/dbraw/zinc/45/34/37/569453437.db2.gz XDIXAIDWLZRSML-HXUWFJFHSA-N 0 0 433.512 4.579 50 0 IJAARN COc1ccc(-n2nnnc2S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000003542848 569453606 /nfs/dbraw/zinc/45/36/06/569453606.db2.gz RPFIDDHDTKUWEU-HSZRJFAPSA-N 0 0 441.516 4.869 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OCCCC)c(=O)n3n2)cc1 ZINC000003637005 569455503 /nfs/dbraw/zinc/45/55/03/569455503.db2.gz SVMFNJGMMUVOID-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN CCCCOc1ccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CCCC3=O)cc1 ZINC000003637888 569455504 /nfs/dbraw/zinc/45/55/04/569455504.db2.gz NXWZWJWMKJABIN-UHFFFAOYSA-N 0 0 430.504 4.788 50 0 IJAARN C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(c1ccccc1)c1ccccc1 ZINC000031379595 569456187 /nfs/dbraw/zinc/45/61/87/569456187.db2.gz RBZOUUNDHPDWOZ-NTKDMRAZSA-N 0 0 428.532 4.755 50 0 IJAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000031469788 569456487 /nfs/dbraw/zinc/45/64/87/569456487.db2.gz DOIZWVBWHMLWOD-UHFFFAOYSA-N 0 0 440.912 4.997 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000004015598 569458120 /nfs/dbraw/zinc/45/81/20/569458120.db2.gz BADLSTJEMOKFDI-IBGZPJMESA-N 0 0 444.837 4.711 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031903640 569458326 /nfs/dbraw/zinc/45/83/26/569458326.db2.gz PEGXHVGGCSWGIX-FQEVSTJZSA-N 0 0 432.568 4.514 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Br)cc1F ZINC000031983265 569458621 /nfs/dbraw/zinc/45/86/21/569458621.db2.gz OGRYCMJYKYACIA-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1cccc(F)c1 ZINC000004087484 569458788 /nfs/dbraw/zinc/45/87/88/569458788.db2.gz KCNUMYHGJSUOJT-UHFFFAOYSA-N 0 0 428.577 4.562 50 0 IJAARN CCOC(=O)CC1=CC(S[C@H](CC)C(=O)N2CCCCCC2)=Nc2ccccc2N1 ZINC000015862599 569458846 /nfs/dbraw/zinc/45/88/46/569458846.db2.gz ILLBJQZYLZFOKG-HXUWFJFHSA-N 0 0 429.586 4.894 50 0 IJAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000004089677 569458896 /nfs/dbraw/zinc/45/88/96/569458896.db2.gz ZBSUWCFNMYIARS-UHFFFAOYSA-N 0 0 432.505 4.804 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(OCC)cc(OCC)c2)cc1 ZINC000004090924 569458906 /nfs/dbraw/zinc/45/89/06/569458906.db2.gz PAZWOUFIRDTUKY-UHFFFAOYSA-N 0 0 444.553 4.568 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1Cl ZINC000032074421 569459346 /nfs/dbraw/zinc/45/93/46/569459346.db2.gz AQNVHKRGGKSEDF-MRXNPFEDSA-N 0 0 445.306 4.696 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032091230 569459613 /nfs/dbraw/zinc/45/96/13/569459613.db2.gz YUNFLKHRNNLKRL-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCC(C)C ZINC000032095716 569459831 /nfs/dbraw/zinc/45/98/31/569459831.db2.gz FRBLSJWHFDEGLX-HNNXBMFYSA-N 0 0 441.919 4.791 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1OCCc1ccccc1)CC(=O)N2 ZINC000032097398 569459984 /nfs/dbraw/zinc/45/99/84/569459984.db2.gz JZZXPABIVAWAEN-FQEVSTJZSA-N 0 0 425.492 4.716 50 0 IJAARN CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(N(CC)CC)cc3)nc2cc1C ZINC000004122939 569460034 /nfs/dbraw/zinc/46/00/34/569460034.db2.gz RFMZJGFLMJBLPK-UHFFFAOYSA-N 0 0 438.601 4.578 50 0 IJAARN Nc1cccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004123155 569460067 /nfs/dbraw/zinc/46/00/67/569460067.db2.gz CJDPVRWHCVZUND-HSZRJFAPSA-N 0 0 441.314 4.583 50 0 IJAARN Fc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000032391270 569461548 /nfs/dbraw/zinc/46/15/48/569461548.db2.gz NJJKCTGEGTYDGM-NRFANRHFSA-N 0 0 435.528 4.741 50 0 IJAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCc2nnc3ccccn32)cc1 ZINC000032524085 569462029 /nfs/dbraw/zinc/46/20/29/569462029.db2.gz MJZSMQXQPFBHRQ-UHFFFAOYSA-N 0 0 439.544 4.687 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1ccccc1C(F)(F)F ZINC000038486523 569462780 /nfs/dbraw/zinc/46/27/80/569462780.db2.gz CHXHKWJGZLSTMQ-UHFFFAOYSA-N 0 0 447.413 4.922 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008391217 569463196 /nfs/dbraw/zinc/46/31/96/569463196.db2.gz CWIVSDIOHNMUFC-SSOJOUAXSA-N 0 0 425.573 4.679 50 0 IJAARN CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000038546421 569463585 /nfs/dbraw/zinc/46/35/85/569463585.db2.gz USNPFCJGWKTDET-JOCHJYFZSA-N 0 0 439.581 4.637 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C ZINC000008435643 569464313 /nfs/dbraw/zinc/46/43/13/569464313.db2.gz WNJQCOQZYGAYHF-HNNXBMFYSA-N 0 0 429.977 4.817 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F ZINC000067207412 569464699 /nfs/dbraw/zinc/46/46/99/569464699.db2.gz AYLSSNUKKOFRSQ-UHFFFAOYSA-N 0 0 441.260 4.745 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209091 569464823 /nfs/dbraw/zinc/46/48/23/569464823.db2.gz PIJYPZWERUIBOJ-INIZCTEOSA-N 0 0 427.595 4.639 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3Cl)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236742 569465424 /nfs/dbraw/zinc/46/54/24/569465424.db2.gz XFNMWWVTNYALPV-UHFFFAOYSA-N 0 0 438.940 4.715 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000067237018 569465504 /nfs/dbraw/zinc/46/55/04/569465504.db2.gz DFDQVWHVOIWVHJ-UHFFFAOYSA-N 0 0 432.549 4.624 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 ZINC000067237855 569465545 /nfs/dbraw/zinc/46/55/45/569465545.db2.gz SZSCDAAEPWFAPI-UHFFFAOYSA-N 0 0 426.586 4.762 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)[nH]n1 ZINC000038651927 569465751 /nfs/dbraw/zinc/46/57/51/569465751.db2.gz NEIXQBYBYIPRJE-UHFFFAOYSA-N 0 0 447.539 4.610 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000038654056 569465809 /nfs/dbraw/zinc/46/58/09/569465809.db2.gz QTOXQNNPYOVKJU-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CC1CCC(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000067245593 569465884 /nfs/dbraw/zinc/46/58/84/569465884.db2.gz YWLRHQQAQOKCOY-UHFFFAOYSA-N 0 0 426.991 4.535 50 0 IJAARN Cc1cccc2cc(-c3csc(Cc4nc(-c5ccc6c(c5)OCO6)no4)n3)c(=O)oc12 ZINC000067246094 569465955 /nfs/dbraw/zinc/46/59/55/569465955.db2.gz RFRLAHXDKNMLJX-UHFFFAOYSA-N 0 0 445.456 4.594 50 0 IJAARN C=Cc1ccc(Cn2nc3c4cc(-c5ccc(OCCCC)cc5)nn4ccn3c2=O)cc1 ZINC000067260505 569466333 /nfs/dbraw/zinc/46/63/33/569466333.db2.gz UDXWYMZTXNPEAA-UHFFFAOYSA-N 0 0 439.519 4.681 50 0 IJAARN Clc1cccc(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc43)CC2)c1 ZINC000067263348 569466687 /nfs/dbraw/zinc/46/66/87/569466687.db2.gz FNLHWSQQGZUQLO-UHFFFAOYSA-N 0 0 440.938 4.925 50 0 IJAARN COc1ccc(CCNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1OC ZINC000067288516 569467457 /nfs/dbraw/zinc/46/74/57/569467457.db2.gz BMFGFEYNBJCAFI-UHFFFAOYSA-N 0 0 437.515 4.672 50 0 IJAARN CCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294299 569467870 /nfs/dbraw/zinc/46/78/70/569467870.db2.gz DHUZAPZXOQQNIS-PNHLSOANSA-N 0 0 443.459 4.503 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc1F ZINC000067295993 569468036 /nfs/dbraw/zinc/46/80/36/569468036.db2.gz JFGUUHARTQEQND-GFMRDNFCSA-N 0 0 425.441 4.530 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O ZINC000008622925 569469510 /nfs/dbraw/zinc/46/95/10/569469510.db2.gz KDOIPGUGRFZXSC-XMMPIXPASA-N 0 0 445.991 4.601 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000008645436 569469606 /nfs/dbraw/zinc/46/96/06/569469606.db2.gz CNMLDRZSMUDXNH-AREMUKBSSA-N 0 0 429.520 4.677 50 0 IJAARN CC(C)Cn1c(SCCCn2c(=O)[nH]c3ccccc32)nnc1-c1ccccc1F ZINC000008651278 569469653 /nfs/dbraw/zinc/46/96/53/569469653.db2.gz YOKLTCCUMDRPOZ-UHFFFAOYSA-N 0 0 425.533 4.566 50 0 IJAARN Fc1ccc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)n2)cc1 ZINC000008710482 569470911 /nfs/dbraw/zinc/47/09/11/569470911.db2.gz BXGDIISCEOCWCI-UHFFFAOYSA-N 0 0 436.516 4.739 50 0 IJAARN C[C@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccc(F)cc1 ZINC000008710711 569470936 /nfs/dbraw/zinc/47/09/36/569470936.db2.gz IBGJJICYNJMZSN-IRXDYDNUSA-N 0 0 443.478 4.859 50 0 IJAARN COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000008711512 569470983 /nfs/dbraw/zinc/47/09/83/569470983.db2.gz WYNKLUATHRFKBW-FQEVSTJZSA-N 0 0 433.455 4.992 50 0 IJAARN COc1ccccc1C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@@](O)(C(F)(F)F)C1 ZINC000008711402 569471009 /nfs/dbraw/zinc/47/10/09/569471009.db2.gz MKMPLSSJSHQOKW-IBGZPJMESA-N 0 0 437.418 4.823 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1 ZINC000008712205 569471041 /nfs/dbraw/zinc/47/10/41/569471041.db2.gz ZCEYPBSDYWPYRD-UHFFFAOYSA-N 0 0 429.856 4.747 50 0 IJAARN Cc1ccn2cc(-c3ccc(NC(=O)c4nn(C(C)C)c(=O)c5ccccc54)cc3)nc2c1 ZINC000008720024 569471475 /nfs/dbraw/zinc/47/14/75/569471475.db2.gz VGLCWDHFJIDRGZ-UHFFFAOYSA-N 0 0 437.503 4.853 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)NC2CC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000008724753 569472064 /nfs/dbraw/zinc/47/20/64/569472064.db2.gz QCJITYPDJFJOPZ-INIZCTEOSA-N 0 0 443.576 4.939 50 0 IJAARN C[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000008726140 569472244 /nfs/dbraw/zinc/47/22/44/569472244.db2.gz WHGIUWWMRDYCBB-QGZVFWFLSA-N 0 0 431.565 4.708 50 0 IJAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008726273 569472272 /nfs/dbraw/zinc/47/22/72/569472272.db2.gz PTCPWYKBLKVLPT-UHFFFAOYSA-N 0 0 436.430 4.534 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 ZINC000008750398 569473325 /nfs/dbraw/zinc/47/33/25/569473325.db2.gz VWFUWLIAOAULEP-HXUWFJFHSA-N 0 0 433.537 4.530 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000008751302 569473452 /nfs/dbraw/zinc/47/34/52/569473452.db2.gz RUXMARDLTUKNLK-UHFFFAOYSA-N 0 0 444.409 4.984 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1 ZINC000008752205 569473537 /nfs/dbraw/zinc/47/35/37/569473537.db2.gz JONKADRAVRHPMF-UHFFFAOYSA-N 0 0 445.500 4.973 50 0 IJAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)N1CCc2ccccc21 ZINC000008755153 569473899 /nfs/dbraw/zinc/47/38/99/569473899.db2.gz FEZHEJMBSVJEDE-UHFFFAOYSA-N 0 0 443.934 4.620 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c(C)c1 ZINC000008761870 569474316 /nfs/dbraw/zinc/47/43/16/569474316.db2.gz SBYMQRCZAUVJTC-UHFFFAOYSA-N 0 0 444.000 4.998 50 0 IJAARN COc1ccccc1CCNC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C ZINC000008771839 569475216 /nfs/dbraw/zinc/47/52/16/569475216.db2.gz KAQZGRLCTZNBMR-UHFFFAOYSA-N 0 0 444.944 4.730 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000008778401 569475430 /nfs/dbraw/zinc/47/54/30/569475430.db2.gz YPIYWTSCSAXDJS-OAHLLOKOSA-N 0 0 427.957 4.532 50 0 IJAARN COc1cccc(C(=O)Oc2ccc3cc(-c4cc(OC)ccc4OC)c(=O)oc3c2)c1 ZINC000008790409 569476037 /nfs/dbraw/zinc/47/60/37/569476037.db2.gz IVHJGCPWDNVBTJ-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN O=C(NCc1ccccc1Cl)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008790808 569476123 /nfs/dbraw/zinc/47/61/23/569476123.db2.gz IAOLOVVKVVETAQ-UPVQGACJSA-N 0 0 441.918 4.608 50 0 biogenic IJAARN CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN31)C(=O)N2 ZINC000008798566 569476369 /nfs/dbraw/zinc/47/63/69/569476369.db2.gz HPNHTGFEJNSXNI-JYFHCDHNSA-N 0 0 425.488 4.606 50 0 IJAARN Cc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008813663 569476643 /nfs/dbraw/zinc/47/66/43/569476643.db2.gz JYKAOHRVLQNSNF-JLHYYAGUSA-N 0 0 432.501 4.523 50 0 IJAARN C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)c1nnc(-c2ccccc2)o1 ZINC000008825540 569477405 /nfs/dbraw/zinc/47/74/05/569477405.db2.gz FFIRNAQMYIGVSV-ZDUSSCGKSA-N 0 0 447.545 4.742 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000008826092 569477499 /nfs/dbraw/zinc/47/74/99/569477499.db2.gz NADALLKVRAXIQZ-SFHVURJKSA-N 0 0 442.705 4.804 50 0 IJAARN CCN(CCCN1C(=O)CS[C@@H]1c1ccc(OC(F)F)c(OC)c1)c1ccccc1 ZINC000008826308 569477553 /nfs/dbraw/zinc/47/75/53/569477553.db2.gz DOWKZEFPPFBZBG-OAQYLSRUSA-N 0 0 436.524 4.787 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000008836691 569478157 /nfs/dbraw/zinc/47/81/57/569478157.db2.gz PQBXYXROTBRQDF-QGZVFWFLSA-N 0 0 439.519 4.559 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008844297 569478615 /nfs/dbraw/zinc/47/86/15/569478615.db2.gz WRCBIFSOWQNPNN-UHFFFAOYSA-N 0 0 425.444 4.555 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000008844997 569478668 /nfs/dbraw/zinc/47/86/68/569478668.db2.gz UMBGRVGPMHXRFL-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CCCCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008845305 569478865 /nfs/dbraw/zinc/47/88/65/569478865.db2.gz RMSOXBTYIBCEIL-CLOONOSVSA-N 0 0 447.535 4.685 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c1 ZINC000008851105 569479340 /nfs/dbraw/zinc/47/93/40/569479340.db2.gz MJZRLZMWIVQOGC-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)c1 ZINC000008851112 569479371 /nfs/dbraw/zinc/47/93/71/569479371.db2.gz WWNRUHSJOMIXPO-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)n1-c1ccccc1 ZINC000008861104 569479965 /nfs/dbraw/zinc/47/99/65/569479965.db2.gz APSJLLFZXNAZBU-INIZCTEOSA-N 0 0 430.533 4.906 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O ZINC000008862132 569480120 /nfs/dbraw/zinc/48/01/20/569480120.db2.gz XUQAXMACOPHTEC-UHFFFAOYSA-N 0 0 425.916 4.753 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000008868735 569480403 /nfs/dbraw/zinc/48/04/03/569480403.db2.gz XEVSRYUIHBYJGL-IBGZPJMESA-N 0 0 438.749 4.689 50 0 IJAARN CN1c2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)c3cccc(c23)C1=O ZINC000008870291 569480565 /nfs/dbraw/zinc/48/05/65/569480565.db2.gz OSQBMNPANJCQAL-UHFFFAOYSA-N 0 0 432.501 4.856 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1 ZINC000039930441 569482004 /nfs/dbraw/zinc/48/20/04/569482004.db2.gz RFANUJUTHGDWBS-UHFFFAOYSA-N 0 0 431.473 4.729 50 0 IJAARN Cc1noc(C)c1COC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000039983312 569482278 /nfs/dbraw/zinc/48/22/78/569482278.db2.gz ZCVVGYODNQRCNI-UHFFFAOYSA-N 0 0 425.872 4.617 50 0 IJAARN O=C(NCCc1cccc(Cl)c1)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000039984303 569482331 /nfs/dbraw/zinc/48/23/31/569482331.db2.gz DYIFOKBAQIVZFM-UHFFFAOYSA-N 0 0 449.967 4.581 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2cccc(OC)c2o1 ZINC000008884864 569483142 /nfs/dbraw/zinc/48/31/42/569483142.db2.gz WELDDHQCTVDPBZ-UHFFFAOYSA-N 0 0 443.554 4.524 50 0 IJAARN Cc1[nH]c(=S)sc1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000040040450 569483470 /nfs/dbraw/zinc/48/34/70/569483470.db2.gz IEECDGYOFIDODB-HNNXBMFYSA-N 0 0 425.579 4.755 50 0 IJAARN CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000008899966 569484121 /nfs/dbraw/zinc/48/41/21/569484121.db2.gz SCOMKRGTYVHVJI-UHFFFAOYSA-N 0 0 438.578 4.789 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)cc1OC ZINC000008912715 569485106 /nfs/dbraw/zinc/48/51/06/569485106.db2.gz JMHLPKOWJVUFQE-UHFFFAOYSA-N 0 0 439.581 4.522 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Cl ZINC000008916253 569485760 /nfs/dbraw/zinc/48/57/60/569485760.db2.gz RITQMQUBPLSXOW-UHFFFAOYSA-N 0 0 431.876 4.600 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000040080992 569486570 /nfs/dbraw/zinc/48/65/70/569486570.db2.gz MCSQUHONUWDWJM-HUUCEWRRSA-N 0 0 443.491 4.599 50 0 IJAARN Cc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932649 569487645 /nfs/dbraw/zinc/48/76/45/569487645.db2.gz FPOUMQRBOBCYFM-UHFFFAOYSA-N 0 0 426.900 4.523 50 0 IJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1OC ZINC000008932691 569487672 /nfs/dbraw/zinc/48/76/72/569487672.db2.gz DJLPKRJYUNYJEM-UHFFFAOYSA-N 0 0 436.552 4.857 50 0 IJAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])c1OC ZINC000008932827 569487681 /nfs/dbraw/zinc/48/76/81/569487681.db2.gz PDFHIAGPCBKQGG-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008935753 569488068 /nfs/dbraw/zinc/48/80/68/569488068.db2.gz RMVLXNNHIRZABT-UHFFFAOYSA-N 0 0 439.943 4.601 50 0 IJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000040104029 569488111 /nfs/dbraw/zinc/48/81/11/569488111.db2.gz ZFBFWXQPWUNRQO-OAHLLOKOSA-N 0 0 429.542 4.735 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000008940649 569488355 /nfs/dbraw/zinc/48/83/55/569488355.db2.gz REBNJGPFIPUUTE-UHFFFAOYSA-N 0 0 441.607 4.511 50 0 IJAARN O=S(=O)(c1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008942543 569488661 /nfs/dbraw/zinc/48/86/61/569488661.db2.gz BBKPQVXAEHQWRT-ZDUSSCGKSA-N 0 0 437.384 4.627 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000008942045 569488697 /nfs/dbraw/zinc/48/86/97/569488697.db2.gz VMNAQYUTTAMDON-CVEARBPZSA-N 0 0 436.537 4.816 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000008943479 569488827 /nfs/dbraw/zinc/48/88/27/569488827.db2.gz HQHNXTIUPDREKC-IBGZPJMESA-N 0 0 433.558 4.559 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(C(=O)N[C@H](C)CC)cc2)cc1OCC ZINC000040121966 569489625 /nfs/dbraw/zinc/48/96/25/569489625.db2.gz CAWHKHGPAGFXAG-MRXNPFEDSA-N 0 0 446.975 4.986 50 0 IJAARN CCc1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccoc4C)n3)sc2c1 ZINC000040129461 569489801 /nfs/dbraw/zinc/48/98/01/569489801.db2.gz XACCIPPYIZIDLD-UHFFFAOYSA-N 0 0 426.523 4.650 50 0 IJAARN COc1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(OC)c1 ZINC000008951497 569489837 /nfs/dbraw/zinc/48/98/37/569489837.db2.gz RIEVTGKYKOBJST-UHFFFAOYSA-N 0 0 436.352 4.675 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)Cc3ccccc3Cl)ccc1O2 ZINC000008961525 569491088 /nfs/dbraw/zinc/49/10/88/569491088.db2.gz IPLKUHKLPLEICE-UHFFFAOYSA-N 0 0 442.924 4.973 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)c1 ZINC000040140152 569491479 /nfs/dbraw/zinc/49/14/79/569491479.db2.gz NVRFFTGSKSYEPM-UHFFFAOYSA-N 0 0 429.270 4.832 50 0 IJAARN O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000040142356 569491805 /nfs/dbraw/zinc/49/18/05/569491805.db2.gz QYNFPBLTKIZUIH-UHFFFAOYSA-N 0 0 430.523 4.704 50 0 IJAARN Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 ZINC000008970847 569492055 /nfs/dbraw/zinc/49/20/55/569492055.db2.gz COWCMTJQAQANGE-HSZRJFAPSA-N 0 0 427.859 4.696 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1Cl ZINC000008977506 569492992 /nfs/dbraw/zinc/49/29/92/569492992.db2.gz BNUGEEQCJOQZHE-UHFFFAOYSA-N 0 0 440.952 4.648 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1Cc2ccccc2O1 ZINC000040154981 569493837 /nfs/dbraw/zinc/49/38/37/569493837.db2.gz QUIFINMMCYXHEL-SFTDATJTSA-N 0 0 426.285 4.798 50 0 IJAARN CC(C)N(C[C@H]1CCCN(Cn2nc(-c3ccccc3)[nH]c2=S)C1)C(=O)OC(C)(C)C ZINC000040155463 569493945 /nfs/dbraw/zinc/49/39/45/569493945.db2.gz WFIBUBMOUONKCN-SFHVURJKSA-N 0 0 445.633 4.923 50 0 IJAARN COC(=O)CN(Cc1ccccc1)Cn1nc(Nc2ccc(C)c(C)c2)sc1=S ZINC000040158174 569494525 /nfs/dbraw/zinc/49/45/25/569494525.db2.gz GWYGLRMUSDJAOV-UHFFFAOYSA-N 0 0 428.583 4.667 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000009037014 569497317 /nfs/dbraw/zinc/49/73/17/569497317.db2.gz VDUMXIKQXIPUJP-UHFFFAOYSA-N 0 0 426.925 4.861 50 0 IJAARN O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000040287861 569498383 /nfs/dbraw/zinc/49/83/83/569498383.db2.gz RWDSTFMRYFMNNT-HXUWFJFHSA-N 0 0 434.521 4.562 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nnc1-c1ccccc1 ZINC000009056465 569499038 /nfs/dbraw/zinc/49/90/38/569499038.db2.gz RJXPXWXDJBLCMO-UHFFFAOYSA-N 0 0 436.537 4.645 50 0 IJAARN COc1cccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000009056801 569499135 /nfs/dbraw/zinc/49/91/35/569499135.db2.gz OVFLDHKWKSOBMD-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN Cc1c(C)n(Cc2cccnc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009061030 569499519 /nfs/dbraw/zinc/49/95/19/569499519.db2.gz DGZGWLCLBMZTJI-UHFFFAOYSA-N 0 0 441.520 4.573 50 0 IJAARN O=C(NCc1ccc(Cl)nc1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355517 569499830 /nfs/dbraw/zinc/49/98/30/569499830.db2.gz RRAFDRGWVOZVTN-UHFFFAOYSA-N 0 0 441.727 4.681 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000009071484 569500092 /nfs/dbraw/zinc/50/00/92/569500092.db2.gz BIZSPULBHLUJHC-HNNXBMFYSA-N 0 0 426.973 4.684 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000009090464 569501051 /nfs/dbraw/zinc/50/10/51/569501051.db2.gz ROPXNALVDNRCSI-UHFFFAOYSA-N 0 0 440.830 4.810 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009096832 569501486 /nfs/dbraw/zinc/50/14/86/569501486.db2.gz XMHFHXOAFFHMJK-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000009100461 569501545 /nfs/dbraw/zinc/50/15/45/569501545.db2.gz ULUDHVVGHILUTD-UHFFFAOYSA-N 0 0 425.488 4.965 50 0 IJAARN O=C(COc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000009109431 569501982 /nfs/dbraw/zinc/50/19/82/569501982.db2.gz CELOWCPZCBKZJX-FCHUYYIVSA-N 0 0 443.482 4.581 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 ZINC000009115564 569502776 /nfs/dbraw/zinc/50/27/76/569502776.db2.gz LATJRGGNDFMZEG-GDLZYMKVSA-N 0 0 431.941 4.612 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cc(C)cc(C)c4)nc23)cc1 ZINC000009116922 569503036 /nfs/dbraw/zinc/50/30/36/569503036.db2.gz SGRATTYBAMAORP-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCc5ccccc5C)C4)sc3n2)cc1 ZINC000009117544 569503166 /nfs/dbraw/zinc/50/31/66/569503166.db2.gz GHQTYAXIGLIXRV-OAQYLSRUSA-N 0 0 445.592 4.607 50 0 IJAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1 ZINC000009118468 569503370 /nfs/dbraw/zinc/50/33/70/569503370.db2.gz FYMWIJITEVGIER-UHFFFAOYSA-N 0 0 435.593 4.939 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C ZINC000245326646 569503722 /nfs/dbraw/zinc/50/37/22/569503722.db2.gz GQVLARWRTFCDQP-SJORKVTESA-N 0 0 432.515 4.801 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009123880 569504188 /nfs/dbraw/zinc/50/41/88/569504188.db2.gz VOCBVTAVIWSOCG-JOCHJYFZSA-N 0 0 426.472 4.559 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@H]2c2ccccc2F)cc1 ZINC000009124685 569504425 /nfs/dbraw/zinc/50/44/25/569504425.db2.gz CMPNJKZDJBYOBY-RUZDIDTESA-N 0 0 443.478 4.718 50 0 IJAARN Cc1[nH]c2ccc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)cc2c1C ZINC000009125194 569504567 /nfs/dbraw/zinc/50/45/67/569504567.db2.gz RHNHUKTXHQWCGT-NRFANRHFSA-N 0 0 433.552 4.661 50 0 IJAARN CCn1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)c(=O)c2ccc(C)nc21 ZINC000009128406 569505407 /nfs/dbraw/zinc/50/54/07/569505407.db2.gz QOVXKPFNHHKWIP-UHFFFAOYSA-N 0 0 429.505 4.582 50 0 IJAARN CCc1cc2c(COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc(=O)oc2cc1O ZINC000009128577 569505442 /nfs/dbraw/zinc/50/54/42/569505442.db2.gz PECOXXIYVYNZQA-UHFFFAOYSA-N 0 0 447.443 4.572 50 0 IJAARN Cc1cccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3Br)n2)c1 ZINC000009128817 569505485 /nfs/dbraw/zinc/50/54/85/569505485.db2.gz ZQDZYUPJACZMNZ-UHFFFAOYSA-N 0 0 444.329 4.626 50 0 IJAARN O=C(Nc1ccccc1Br)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000069441326 569506525 /nfs/dbraw/zinc/50/65/25/569506525.db2.gz SMNOCSMEKLHNIK-INIZCTEOSA-N 0 0 442.140 4.999 50 0 IJAARN CCc1nc(-c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4)n3)cc2)cs1 ZINC000040454990 569506538 /nfs/dbraw/zinc/50/65/38/569506538.db2.gz ASCKMXLENMPLRA-QGZVFWFLSA-N 0 0 446.532 4.952 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000040485639 569506838 /nfs/dbraw/zinc/50/68/38/569506838.db2.gz XLFAAEVTIITYTH-QHCPKHFHSA-N 0 0 447.462 4.674 50 0 IJAARN CC(C)OCCCn1c(SCC(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009136059 569507079 /nfs/dbraw/zinc/50/70/79/569507079.db2.gz QAPUVTJUVXOZJW-UHFFFAOYSA-N 0 0 430.957 4.840 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009174015 569509623 /nfs/dbraw/zinc/50/96/23/569509623.db2.gz DQBPTMQJZCGDEZ-UHFFFAOYSA-N 0 0 444.597 4.848 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1OC ZINC000009184858 569509961 /nfs/dbraw/zinc/50/99/61/569509961.db2.gz ZUYBEJCWFPCVLY-JOCHJYFZSA-N 0 0 444.487 4.621 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009187031 569510264 /nfs/dbraw/zinc/51/02/64/569510264.db2.gz PKSVZBCGMMPKEL-NRFANRHFSA-N 0 0 434.423 4.767 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cc(C=C2SC(=O)NC2=O)c2ccccc21 ZINC000009192586 569510789 /nfs/dbraw/zinc/51/07/89/569510789.db2.gz JFVGYJHAEQSPLJ-QGMBQPNBSA-N 0 0 425.897 4.566 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009197956 569511046 /nfs/dbraw/zinc/51/10/46/569511046.db2.gz FPQNFHPMKJNBHB-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)cc1 ZINC000009203713 569511259 /nfs/dbraw/zinc/51/12/59/569511259.db2.gz RWQFQFOMVYRQJU-UHFFFAOYSA-N 0 0 440.952 4.648 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009206734 569511388 /nfs/dbraw/zinc/51/13/88/569511388.db2.gz ZLMUESRXVDUCDU-NRFANRHFSA-N 0 0 438.553 4.774 50 0 IJAARN Cc1ccccc1OCc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1-c1ccccc1 ZINC000009208315 569511459 /nfs/dbraw/zinc/51/14/59/569511459.db2.gz JRVHZDYRBDYHOY-SFHVURJKSA-N 0 0 448.548 4.717 50 0 IJAARN Cc1nnc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n1-c1ccccc1 ZINC000009209145 569511495 /nfs/dbraw/zinc/51/14/95/569511495.db2.gz UVESBLOFHYPAEJ-UHFFFAOYSA-N 0 0 435.578 4.814 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1-c1ccccc1 ZINC000009209282 569511560 /nfs/dbraw/zinc/51/15/60/569511560.db2.gz RDEOTLHHDGDJHE-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000009209855 569511608 /nfs/dbraw/zinc/51/16/08/569511608.db2.gz SOBHCIWKRNGJGB-PXDATVDWSA-N 0 0 444.487 4.733 50 0 IJAARN COC(=O)[C@@H](C)NC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211828 569511872 /nfs/dbraw/zinc/51/18/72/569511872.db2.gz AGVUFVNIIWMYJE-QGZVFWFLSA-N 0 0 447.560 4.779 50 0 IJAARN Cc1oc(-c2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)nc1COc1ccc(C)cc1 ZINC000009211889 569511908 /nfs/dbraw/zinc/51/19/08/569511908.db2.gz DISDOXTXIJKSNW-UHFFFAOYSA-N 0 0 448.519 4.517 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000009216598 569512168 /nfs/dbraw/zinc/51/21/68/569512168.db2.gz LSRYMBFOALMXNZ-UHFFFAOYSA-N 0 0 429.520 4.756 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000009223090 569512906 /nfs/dbraw/zinc/51/29/06/569512906.db2.gz VTDWYGOGFDJOSP-UHFFFAOYSA-N 0 0 439.519 4.824 50 0 IJAARN CCCCn1nc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2c1=O ZINC000009223401 569512974 /nfs/dbraw/zinc/51/29/74/569512974.db2.gz IPDYSEZUVXGMJB-XMMPIXPASA-N 0 0 441.531 4.725 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc3ncccc32)[C@H]1c1ccc(OC)cc1 ZINC000009223960 569513077 /nfs/dbraw/zinc/51/30/77/569513077.db2.gz HGCNBXRSIAUMIV-PXDATVDWSA-N 0 0 431.536 4.962 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238295 569514318 /nfs/dbraw/zinc/51/43/18/569514318.db2.gz VQQKSLZENUGXGR-FGZHOGPDSA-N 0 0 441.560 4.905 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239401 569514547 /nfs/dbraw/zinc/51/45/47/569514547.db2.gz OZYKHIBPMWUWLY-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009242745 569514687 /nfs/dbraw/zinc/51/46/87/569514687.db2.gz WNSKUHHTGNUPAQ-QFIPXVFZSA-N 0 0 446.890 4.904 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)N(CCCO)C3=O)cc1Cl ZINC000009242983 569514769 /nfs/dbraw/zinc/51/47/69/569514769.db2.gz MJROCMIFQPULHE-QHCPKHFHSA-N 0 0 439.943 4.795 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009243394 569514891 /nfs/dbraw/zinc/51/48/91/569514891.db2.gz MOOGPXCCGWYOHO-JOCHJYFZSA-N 0 0 439.943 4.579 50 0 IJAARN COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)coc2c1 ZINC000009244590 569515102 /nfs/dbraw/zinc/51/51/02/569515102.db2.gz FRCJIPSGYFGKDX-AWEZNQCLSA-N 0 0 436.489 4.678 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4nccs4)c3C)o2)cc1 ZINC000009244984 569515202 /nfs/dbraw/zinc/51/52/02/569515202.db2.gz IWUWAPCFPDEHOQ-UHFFFAOYSA-N 0 0 426.523 4.584 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000009245131 569515234 /nfs/dbraw/zinc/51/52/34/569515234.db2.gz DNKJGPPZGDCGDH-KRWDZBQOSA-N 0 0 446.576 4.607 50 0 IJAARN O=C(CCNC(=O)c1ccco1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000009245728 569515395 /nfs/dbraw/zinc/51/53/95/569515395.db2.gz GKFRICGLKQCTOA-UHFFFAOYSA-N 0 0 445.338 4.952 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cncn1-c1ccccc1)CC2 ZINC000009245787 569515456 /nfs/dbraw/zinc/51/54/56/569515456.db2.gz UZULLGQJSNXAPV-XMMPIXPASA-N 0 0 445.544 4.739 50 0 IJAARN CCc1ccc(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)cc1 ZINC000009254483 569516374 /nfs/dbraw/zinc/51/63/74/569516374.db2.gz FVFJZZAMXZLVKQ-UHFFFAOYSA-N 0 0 431.579 4.678 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009255127 569516504 /nfs/dbraw/zinc/51/65/04/569516504.db2.gz NWVDFBGEUVYVFN-UHFFFAOYSA-N 0 0 436.533 4.665 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000009266449 569517481 /nfs/dbraw/zinc/51/74/81/569517481.db2.gz FXQGRSOFNWEKHX-UHFFFAOYSA-N 0 0 430.508 4.869 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC ZINC000009273312 569518052 /nfs/dbraw/zinc/51/80/52/569518052.db2.gz AAWYDRUEZCIQJE-QHCPKHFHSA-N 0 0 442.471 4.572 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000009280906 569518547 /nfs/dbraw/zinc/51/85/47/569518547.db2.gz MNKPPGLCQXXWTP-OAQYLSRUSA-N 0 0 432.863 4.990 50 0 IJAARN COc1cc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)ccc1OCc1ccccc1 ZINC000009281231 569518569 /nfs/dbraw/zinc/51/85/69/569518569.db2.gz RHUWECADOQVIMP-VFAHUECZSA-N 0 0 440.543 4.911 50 0 IJAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1c3ccccc3n(C)c1-c1ccccc1)C2=O ZINC000009285837 569519267 /nfs/dbraw/zinc/51/92/67/569519267.db2.gz NDZZOTCQIHFOEG-QUGAMOGWSA-N 0 0 429.520 4.529 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000009288452 569519441 /nfs/dbraw/zinc/51/94/41/569519441.db2.gz BGCVLXHBQMUKNP-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000009288943 569519471 /nfs/dbraw/zinc/51/94/71/569519471.db2.gz GNKBJYPBPLWYFK-JLHYYAGUSA-N 0 0 445.910 4.968 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C(C)C)c1 ZINC000009289869 569519663 /nfs/dbraw/zinc/51/96/63/569519663.db2.gz NOBLDULVWJTMIH-UHFFFAOYSA-N 0 0 436.581 4.736 50 0 IJAARN Cc1csc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C(C)C)n1 ZINC000009303884 569521067 /nfs/dbraw/zinc/52/10/67/569521067.db2.gz BJDSILRTVMDUQJ-UHFFFAOYSA-N 0 0 431.587 4.551 50 0 IJAARN CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=N2 ZINC000009309778 569521658 /nfs/dbraw/zinc/52/16/58/569521658.db2.gz YVPGWSJMYWZOBR-JWQCQUIFSA-N 0 0 437.503 4.593 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1C ZINC000009315455 569522140 /nfs/dbraw/zinc/52/21/40/569522140.db2.gz JCHUQXKHKBVQCX-UHFFFAOYSA-N 0 0 436.577 4.869 50 0 IJAARN CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009328534 569522897 /nfs/dbraw/zinc/52/28/97/569522897.db2.gz ZPWSQPMAMKDGBQ-IBGZPJMESA-N 0 0 434.521 4.587 50 0 IJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009329602 569522981 /nfs/dbraw/zinc/52/29/81/569522981.db2.gz RKBKVZFHEMAEOR-HXUWFJFHSA-N 0 0 430.335 4.876 50 0 IJAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000009331436 569523145 /nfs/dbraw/zinc/52/31/45/569523145.db2.gz CZQNVAZEOIHLDY-UHFFFAOYSA-N 0 0 436.386 4.633 50 0 IJAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000009341153 569523896 /nfs/dbraw/zinc/52/38/96/569523896.db2.gz MZMPFEIGORVKFG-UHFFFAOYSA-N 0 0 425.315 4.571 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1C[C@H](O)c1ccccc1 ZINC000009344846 569524039 /nfs/dbraw/zinc/52/40/39/569524039.db2.gz GYMSSNWHVYYXQN-SIKLNZKXSA-N 0 0 449.865 4.864 50 0 IJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1 ZINC000069928932 569524050 /nfs/dbraw/zinc/52/40/50/569524050.db2.gz OEGLMAGEXLFNKK-ZHALLVOQSA-N 0 0 429.586 4.769 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 ZINC000009345140 569524067 /nfs/dbraw/zinc/52/40/67/569524067.db2.gz LJEIAOFJAGIQLV-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN COc1ccccc1C(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000009348285 569524425 /nfs/dbraw/zinc/52/44/25/569524425.db2.gz ADYSMSJEADHUSK-NRFANRHFSA-N 0 0 441.466 4.734 50 0 IJAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(N2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000069951117 569525328 /nfs/dbraw/zinc/52/53/28/569525328.db2.gz QJKGMEVFTUFXCG-GOSISDBHSA-N 0 0 436.726 4.771 50 0 IJAARN CCc1ccc2c(CC(=O)Nc3nc(-c4ccc(CNC(C)=O)cc4)cs3)coc2c1 ZINC000009364615 569526074 /nfs/dbraw/zinc/52/60/74/569526074.db2.gz QVDVHERWNYZRKU-UHFFFAOYSA-N 0 0 433.533 4.936 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000009364853 569526088 /nfs/dbraw/zinc/52/60/88/569526088.db2.gz AFBATWFPCJVLSA-JOCHJYFZSA-N 0 0 445.519 4.800 50 0 IJAARN Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc21 ZINC000009367354 569526448 /nfs/dbraw/zinc/52/64/48/569526448.db2.gz VCGVIXANMATSLQ-HUUCEWRRSA-N 0 0 443.594 4.524 50 0 IJAARN CCCCOc1ccc(C(=O)NCc2nnc(SCC)n2-c2ccc(F)cc2)cc1 ZINC000009369009 569526671 /nfs/dbraw/zinc/52/66/71/569526671.db2.gz HMAIQEVCWRMHBA-UHFFFAOYSA-N 0 0 428.533 4.627 50 0 IJAARN CCOC(=O)Nc1ccc2c(CSc3n[nH]c(-c4ccccc4F)n3)cc(=O)oc2c1 ZINC000009384870 569528407 /nfs/dbraw/zinc/52/84/07/569528407.db2.gz YDLJYVRLRPUCHO-UHFFFAOYSA-N 0 0 440.456 4.578 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009385869 569528473 /nfs/dbraw/zinc/52/84/73/569528473.db2.gz VBFAVCPEXDJPQA-OAQYLSRUSA-N 0 0 449.595 4.921 50 0 IJAARN CC(C)CN(C(=O)COc1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2 ZINC000009387831 569528491 /nfs/dbraw/zinc/52/84/91/569528491.db2.gz PQAAQYWNMZDIHN-UHFFFAOYSA-N 0 0 448.567 4.652 50 0 IJAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)c1 ZINC000009407798 569530369 /nfs/dbraw/zinc/53/03/69/569530369.db2.gz ZMYQSIYTGORPJF-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)cc1 ZINC000009407989 569530432 /nfs/dbraw/zinc/53/04/32/569530432.db2.gz RCEOMVQLNXPCNQ-UHFFFAOYSA-N 0 0 442.563 4.912 50 0 IJAARN CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 ZINC000009409070 569530772 /nfs/dbraw/zinc/53/07/72/569530772.db2.gz PBOYVOOGAYAQKB-VWLOTQADSA-N 0 0 449.551 4.933 50 0 IJAARN CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)c1 ZINC000009409074 569530846 /nfs/dbraw/zinc/53/08/46/569530846.db2.gz OGAAEQJQYIGJPC-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2c1=O ZINC000009412245 569531601 /nfs/dbraw/zinc/53/16/01/569531601.db2.gz IOFSFUHENOWNPS-UHFFFAOYSA-N 0 0 446.576 4.682 50 0 IJAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCc1ccc(Cl)cc1Cl ZINC000009413248 569531692 /nfs/dbraw/zinc/53/16/92/569531692.db2.gz JSNCQQLYGPOXLD-UHFFFAOYSA-N 0 0 437.377 4.839 50 0 IJAARN Cn1c(Cn2c3ccccc3sc2=O)nnc1SCc1ccc(C(F)(F)F)cc1 ZINC000009413230 569531720 /nfs/dbraw/zinc/53/17/20/569531720.db2.gz MBOZQZAXXXULKP-UHFFFAOYSA-N 0 0 436.484 4.551 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 ZINC000009413590 569531790 /nfs/dbraw/zinc/53/17/90/569531790.db2.gz YFCSLLSSMJUOMN-SSEXGKCCSA-N 0 0 443.956 4.719 50 0 IJAARN O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009414962 569532084 /nfs/dbraw/zinc/53/20/84/569532084.db2.gz UDOZWTFUWWKRSO-UHFFFAOYSA-N 0 0 447.417 4.680 50 0 IJAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(Cl)c4)nn32)cc1 ZINC000009415246 569532165 /nfs/dbraw/zinc/53/21/65/569532165.db2.gz JBAUUEWVQZVFOH-UHFFFAOYSA-N 0 0 439.928 4.574 50 0 IJAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3CCc3ccccc3)n2)cc1 ZINC000009426407 569533339 /nfs/dbraw/zinc/53/33/39/569533339.db2.gz RVTNFOJRNRWHJD-UHFFFAOYSA-N 0 0 427.504 4.803 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)cc1OC ZINC000009428476 569533542 /nfs/dbraw/zinc/53/35/42/569533542.db2.gz AFMBNMPBXCWHTC-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc(CCO)cc1)occ3C(C)(C)C ZINC000009429726 569533728 /nfs/dbraw/zinc/53/37/28/569533728.db2.gz YDWGUVBUGOUJIL-UHFFFAOYSA-N 0 0 433.504 4.861 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)coc2c1C ZINC000009430914 569534040 /nfs/dbraw/zinc/53/40/40/569534040.db2.gz LNYOGAPAUNMFMR-INIZCTEOSA-N 0 0 440.565 4.651 50 0 IJAARN CCCN(C(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(F)cc1 ZINC000009431627 569534226 /nfs/dbraw/zinc/53/42/26/569534226.db2.gz JPKCTJMJZQQUNK-SFHVURJKSA-N 0 0 438.503 4.544 50 0 IJAARN COc1ccccc1OCCOc1ccccc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000009434852 569534735 /nfs/dbraw/zinc/53/47/35/569534735.db2.gz NIVKMKSDCQMJCC-UHFFFAOYSA-N 0 0 448.544 4.997 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4F)c3)coc2c1 ZINC000009442616 569535603 /nfs/dbraw/zinc/53/56/03/569535603.db2.gz VEDMTDSTKKCXAP-UHFFFAOYSA-N 0 0 438.480 4.862 50 0 IJAARN CC1=NC(=S)N[C@H](c2ccccc2OCc2ccccc2)C1C(=O)OCc1ccccc1 ZINC000009444234 569535742 /nfs/dbraw/zinc/53/57/42/569535742.db2.gz VUAABBYKSDIDLQ-XMMPIXPASA-N 0 0 444.556 4.802 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)cc1 ZINC000009450372 569536277 /nfs/dbraw/zinc/53/62/77/569536277.db2.gz KDBQAFIRDSUCTP-UHFFFAOYSA-N 0 0 435.549 4.734 50 0 IJAARN Cc1cccc(-c2nc3c(c(SCC(=O)NCc4ccccc4)n2)COC(C)(C)C3)c1 ZINC000009451451 569536419 /nfs/dbraw/zinc/53/64/19/569536419.db2.gz MLLVHTOULRXBQL-UHFFFAOYSA-N 0 0 433.577 4.712 50 0 IJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009451440 569536420 /nfs/dbraw/zinc/53/64/20/569536420.db2.gz UVLSDJPESXPKHR-JOCHJYFZSA-N 0 0 429.520 4.888 50 0 IJAARN Cc1cc(C(=O)COc2cccc(Oc3ccccc3)c2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009453814 569536650 /nfs/dbraw/zinc/53/66/50/569536650.db2.gz TWLHQTGGIKXIBV-IBGZPJMESA-N 0 0 439.533 4.519 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(CSc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000009459981 569536871 /nfs/dbraw/zinc/53/68/71/569536871.db2.gz HTPHVSCRKACGED-UHFFFAOYSA-N 0 0 441.603 4.901 50 0 IJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000009461672 569537099 /nfs/dbraw/zinc/53/70/99/569537099.db2.gz UCFCUCJWINGXBS-MUUNZHRXSA-N 0 0 449.510 4.913 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)c(F)c4F)c(=O)c23)s1 ZINC000009462045 569537188 /nfs/dbraw/zinc/53/71/88/569537188.db2.gz SUDNYOYZKJNSOU-UHFFFAOYSA-N 0 0 435.452 4.551 50 0 IJAARN O=C(NCCc1ccc2c(c1)OCCO2)c1oc2ccccc2c1COc1ccccc1 ZINC000009462784 569537391 /nfs/dbraw/zinc/53/73/91/569537391.db2.gz KTPQLIPTHMTFCY-UHFFFAOYSA-N 0 0 429.472 4.756 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000009464992 569537858 /nfs/dbraw/zinc/53/78/58/569537858.db2.gz KYQFTFAWZQRYGI-HSZRJFAPSA-N 0 0 435.911 4.776 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009466315 569538149 /nfs/dbraw/zinc/53/81/49/569538149.db2.gz DCAYNKPAQCXEQL-KRWDZBQOSA-N 0 0 449.605 4.684 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000009466576 569538182 /nfs/dbraw/zinc/53/81/82/569538182.db2.gz CMUQMWOAXADYCP-CQSZACIVSA-N 0 0 443.941 4.736 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)nc2c1 ZINC000009466411 569538204 /nfs/dbraw/zinc/53/82/04/569538204.db2.gz ZAKAEQRGHQAUOO-CYBMUJFWSA-N 0 0 426.567 4.883 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 ZINC000009467341 569538379 /nfs/dbraw/zinc/53/83/79/569538379.db2.gz NKVGHCFEMOJSHZ-UHFFFAOYSA-N 0 0 448.958 4.621 50 0 IJAARN CCCCn1nnnc1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009468911 569538744 /nfs/dbraw/zinc/53/87/44/569538744.db2.gz GZHUXNZPGURLCM-UHFFFAOYSA-N 0 0 439.976 4.590 50 0 IJAARN COc1cc(CNc2ccccc2C(=O)NCCc2ccccc2)ccc1OC(F)F ZINC000009469029 569538752 /nfs/dbraw/zinc/53/87/52/569538752.db2.gz RUOXJPPENJMPAN-UHFFFAOYSA-N 0 0 426.463 4.881 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000009469521 569538771 /nfs/dbraw/zinc/53/87/71/569538771.db2.gz GDWNZEGBKJXAES-UHFFFAOYSA-N 0 0 444.564 4.678 50 0 IJAARN CCc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 ZINC000009470978 569538883 /nfs/dbraw/zinc/53/88/83/569538883.db2.gz JPSLMHIIEUTUQX-UHFFFAOYSA-N 0 0 444.568 4.510 50 0 IJAARN CCc1ccc(-c2noc(CSc3nnc(-c4cccc(C)c4)n3CCOC)n2)cc1 ZINC000009478365 569539314 /nfs/dbraw/zinc/53/93/14/569539314.db2.gz ZAZADYPTVNRSBF-UHFFFAOYSA-N 0 0 435.553 4.805 50 0 IJAARN Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009487952 569539847 /nfs/dbraw/zinc/53/98/47/569539847.db2.gz UNSZXEVIEWDEDV-UHFFFAOYSA-N 0 0 435.315 4.787 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)c4cccc5ccccc54)C3=O)ccc2c1 ZINC000009497070 569541272 /nfs/dbraw/zinc/54/12/72/569541272.db2.gz XSDFWDRDJKWBNA-HHHXNRCGSA-N 0 0 438.483 4.652 50 0 IJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000009498476 569541348 /nfs/dbraw/zinc/54/13/48/569541348.db2.gz LIEDUXGSSODNCD-YWZLYKJASA-N 0 0 441.528 4.635 50 0 IJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000009498483 569541370 /nfs/dbraw/zinc/54/13/70/569541370.db2.gz LIEDUXGSSODNCD-QRWLVFNGSA-N 0 0 441.528 4.635 50 0 IJAARN CCC(=O)N(c1nnc(SCc2csc(-c3ccccc3OC)n2)s1)C1CC1 ZINC000009501821 569541697 /nfs/dbraw/zinc/54/16/97/569541697.db2.gz CQQSTBAAQALGHD-UHFFFAOYSA-N 0 0 432.596 4.868 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccc(F)cc1 ZINC000009504932 569541854 /nfs/dbraw/zinc/54/18/54/569541854.db2.gz URCUYJXQIVDKBW-VWLOTQADSA-N 0 0 428.463 4.703 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000009508766 569542385 /nfs/dbraw/zinc/54/23/85/569542385.db2.gz HYSMEAWRZIBPGV-UHFFFAOYSA-N 0 0 436.867 4.696 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)NCc1ccco1 ZINC000009509031 569542469 /nfs/dbraw/zinc/54/24/69/569542469.db2.gz PHRIYAXERSUOJC-INIZCTEOSA-N 0 0 436.512 4.523 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1Cl ZINC000009514997 569543289 /nfs/dbraw/zinc/54/32/89/569543289.db2.gz UAQGBABNOWHYIL-HNNXBMFYSA-N 0 0 426.973 4.827 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000009517640 569543716 /nfs/dbraw/zinc/54/37/16/569543716.db2.gz IBPVLHNBHAUJHU-UHFFFAOYSA-N 0 0 447.417 4.704 50 0 IJAARN O=C(COc1ccccc1F)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518485 569544065 /nfs/dbraw/zinc/54/40/65/569544065.db2.gz ZMSRQKBSRVUNJB-UHFFFAOYSA-N 0 0 448.406 4.570 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc12 ZINC000009530882 569545069 /nfs/dbraw/zinc/54/50/69/569545069.db2.gz OICGRUFPUJMVRO-UHFFFAOYSA-N 0 0 437.496 4.578 50 0 IJAARN CCOCCC[NH2+]Cc1c2ccc(OC)cc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000009532187 569545332 /nfs/dbraw/zinc/54/53/32/569545332.db2.gz IVZLMBJSIWNYBD-UHFFFAOYSA-N 0 0 448.922 4.705 50 0 IJAARN COc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2C[NH2+]CCc1ccccc1OC ZINC000009532600 569545351 /nfs/dbraw/zinc/54/53/51/569545351.db2.gz DMBOBCZHRUQQFO-UHFFFAOYSA-N 0 0 444.531 4.737 50 0 IJAARN COc1cccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000009540773 569545862 /nfs/dbraw/zinc/54/58/62/569545862.db2.gz ZAJOCNYRAWQCLB-XMMPIXPASA-N 0 0 440.503 4.548 50 0 IJAARN COc1ccc2nc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)sc2c1 ZINC000009540804 569545873 /nfs/dbraw/zinc/54/58/73/569545873.db2.gz AKPQQXPDIZKXIL-UHFFFAOYSA-N 0 0 429.545 4.934 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000009546364 569546267 /nfs/dbraw/zinc/54/62/67/569546267.db2.gz CCCVEFWSMCZMNP-RUZDIDTESA-N 0 0 448.950 4.503 50 0 IJAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000009546609 569546322 /nfs/dbraw/zinc/54/63/22/569546322.db2.gz NXYHAUIEMUYOIG-UHFFFAOYSA-N 0 0 448.469 4.996 50 0 IJAARN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Br)cc3)/c(=N/O)oc2c1 ZINC000009553716 569546724 /nfs/dbraw/zinc/54/67/24/569546724.db2.gz VXONHXLJFNSPEW-ATJXCDBQSA-N 0 0 430.302 4.584 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(C)c(C)c2)c1S(=O)(=O)c1ccccc1 ZINC000009558983 569546886 /nfs/dbraw/zinc/54/68/86/569546886.db2.gz ZRTFJFVBSZXGDM-UHFFFAOYSA-N 0 0 426.538 4.615 50 0 IJAARN Cc1cc(Nc2cnn(-c3nc4ccccc4o3)c(=O)c2Cl)ccc1Br ZINC000009561210 569547136 /nfs/dbraw/zinc/54/71/36/569547136.db2.gz CTDIXGBUJOQYAO-UHFFFAOYSA-N 0 0 431.677 4.842 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)o1 ZINC000009562021 569547200 /nfs/dbraw/zinc/54/72/00/569547200.db2.gz SHWUVFQTLSFCAU-UHFFFAOYSA-N 0 0 426.885 4.655 50 0 IJAARN Cc1cc(NC(=O)Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)no1 ZINC000009562835 569547356 /nfs/dbraw/zinc/54/73/56/569547356.db2.gz JSPXIQRFLKXWAW-UHFFFAOYSA-N 0 0 431.279 4.857 50 0 IJAARN COc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 ZINC000009572646 569547846 /nfs/dbraw/zinc/54/78/46/569547846.db2.gz WTJKEEVYMZUNKT-UHFFFAOYSA-N 0 0 441.892 4.923 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000009578787 569548416 /nfs/dbraw/zinc/54/84/16/569548416.db2.gz SAVSBBQTHDJDER-UHFFFAOYSA-N 0 0 430.570 4.657 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1ccccc1 ZINC000009580473 569548797 /nfs/dbraw/zinc/54/87/97/569548797.db2.gz AMFFRMMZRBLSRO-ZWKOTPCHSA-N 0 0 444.557 4.740 50 0 IJAARN Cc1ccc(COc2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000009587922 569549832 /nfs/dbraw/zinc/54/98/32/569549832.db2.gz QZWSTSHKGMEDOM-UHFFFAOYSA-N 0 0 426.472 4.781 50 0 IJAARN COc1ccc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1F ZINC000009592035 569550266 /nfs/dbraw/zinc/55/02/66/569550266.db2.gz CAPLRKZKBUBOGW-SFHVURJKSA-N 0 0 443.569 4.767 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2cc(Cl)ccc12 ZINC000009594303 569550577 /nfs/dbraw/zinc/55/05/77/569550577.db2.gz PCHUYTCHDGKXFJ-UHFFFAOYSA-N 0 0 427.892 4.601 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(OC(F)F)cc1 ZINC000009597044 569550799 /nfs/dbraw/zinc/55/07/99/569550799.db2.gz CLINUBCUOFMTSH-UHFFFAOYSA-N 0 0 425.387 4.708 50 0 IJAARN CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2F)C(c2ccccc2)=N1 ZINC000009599224 569551191 /nfs/dbraw/zinc/55/11/91/569551191.db2.gz LZNMQRZCMBVXEL-UHFFFAOYSA-N 0 0 434.334 4.897 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000009609234 569552287 /nfs/dbraw/zinc/55/22/87/569552287.db2.gz BQHGSUWAMJIVEG-UHFFFAOYSA-N 0 0 442.519 4.761 50 0 IJAARN C[C@@H](NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)c1cccs1 ZINC000009608994 569552291 /nfs/dbraw/zinc/55/22/91/569552291.db2.gz CJGBDAUOODYWMY-UTKZUKDTSA-N 0 0 436.602 4.883 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nnc1-c1ccoc1C ZINC000009609652 569552367 /nfs/dbraw/zinc/55/23/67/569552367.db2.gz KTYILBMGCSHVRN-UHFFFAOYSA-N 0 0 425.514 4.545 50 0 IJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000009610746 569552570 /nfs/dbraw/zinc/55/25/70/569552570.db2.gz PSAGMYDIJXOOCC-UHFFFAOYSA-N 0 0 425.484 4.935 50 0 IJAARN COc1cc(OC)c(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(C)cc2)cc1Cl ZINC000009614951 569553151 /nfs/dbraw/zinc/55/31/51/569553151.db2.gz ZOYKULNFKSDGGR-UHFFFAOYSA-N 0 0 445.972 4.975 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009619738 569553385 /nfs/dbraw/zinc/55/33/85/569553385.db2.gz YMJAHWZRTWNZIH-INIZCTEOSA-N 0 0 435.578 4.580 50 0 IJAARN COc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000009631812 569553815 /nfs/dbraw/zinc/55/38/15/569553815.db2.gz KNLUHXCYQQLEKQ-UHFFFAOYSA-N 0 0 426.419 4.552 50 0 IJAARN Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009631772 569553839 /nfs/dbraw/zinc/55/38/39/569553839.db2.gz GZNCBGSGHDJPIY-UHFFFAOYSA-N 0 0 428.989 4.842 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)NC2CCCC2)n1-c1ccc(Cl)cc1 ZINC000009632561 569554007 /nfs/dbraw/zinc/55/40/07/569554007.db2.gz IKJOXNJPJABBIY-UHFFFAOYSA-N 0 0 442.972 4.747 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1cc(C)ccc1C ZINC000009632691 569554103 /nfs/dbraw/zinc/55/41/03/569554103.db2.gz OZSREBGBVVUKMQ-UHFFFAOYSA-N 0 0 446.334 4.959 50 0 IJAARN Cc1ccc(NC(=O)[C@H](OC(=O)C[C@H]2Sc3ccccc3NC2=O)c2ccccc2)cc1 ZINC000009634966 569554542 /nfs/dbraw/zinc/55/45/42/569554542.db2.gz UBIJZMSEFXUDRX-FYYLOGMGSA-N 0 0 446.528 4.721 50 0 IJAARN O=C(CSc1ncnc2ccccc21)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009641409 569555669 /nfs/dbraw/zinc/55/56/69/569555669.db2.gz IETQVWHFOJNFQX-UHFFFAOYSA-N 0 0 432.480 4.752 50 0 IJAARN CCc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)cc1 ZINC000009646976 569556412 /nfs/dbraw/zinc/55/64/12/569556412.db2.gz ZXHNMGBTRYPKEN-AWEZNQCLSA-N 0 0 430.961 4.729 50 0 IJAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 ZINC000009660218 569556677 /nfs/dbraw/zinc/55/66/77/569556677.db2.gz JZBDJHKZLIVXQZ-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN CN(C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 ZINC000009664985 569557556 /nfs/dbraw/zinc/55/75/56/569557556.db2.gz DALOURKTEQFOMK-UHFFFAOYSA-N 0 0 448.523 4.741 50 0 IJAARN CCC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@H]1c1cccs1 ZINC000009668209 569557912 /nfs/dbraw/zinc/55/79/12/569557912.db2.gz DLURJXLFKVHXJO-FQEVSTJZSA-N 0 0 439.562 4.637 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000009668406 569557937 /nfs/dbraw/zinc/55/79/37/569557937.db2.gz OKHUIZGOHVROBC-FYSMJZIKSA-N 0 0 427.479 4.890 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)n1-c1ccccc1 ZINC000009669973 569558165 /nfs/dbraw/zinc/55/81/65/569558165.db2.gz KUGSXPSOAIHMIR-UHFFFAOYSA-N 0 0 449.605 4.684 50 0 IJAARN O=C(c1ccco1)N1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000009670299 569558288 /nfs/dbraw/zinc/55/82/88/569558288.db2.gz WWZYTVUFPGYQQG-UHFFFAOYSA-N 0 0 443.425 4.640 50 0 IJAARN CN(C)C(=O)[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009671136 569558490 /nfs/dbraw/zinc/55/84/90/569558490.db2.gz PUKKXOGOTKTHSR-QHCPKHFHSA-N 0 0 446.551 4.919 50 0 IJAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009671916 569558669 /nfs/dbraw/zinc/55/86/69/569558669.db2.gz QUZFAHPBYQWDGR-DEOSSOPVSA-N 0 0 426.520 4.552 50 0 IJAARN Cc1c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2oc1C(=O)NCc1ccccc1 ZINC000009673150 569558877 /nfs/dbraw/zinc/55/88/77/569558877.db2.gz VKSFDXKQRNZKKX-UHFFFAOYSA-N 0 0 440.565 4.624 50 0 IJAARN COc1cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673371 569558921 /nfs/dbraw/zinc/55/89/21/569558921.db2.gz DLAHCSFADPNRHL-UHFFFAOYSA-N 0 0 432.879 4.720 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2)c2cc(Cl)ccc23)cc1 ZINC000009673641 569558950 /nfs/dbraw/zinc/55/89/50/569558950.db2.gz PUWKIAKGAATWEU-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)Nc1ccccc1F ZINC000009674397 569559161 /nfs/dbraw/zinc/55/91/61/569559161.db2.gz OWSFWYHUEJYQGW-NRFANRHFSA-N 0 0 444.491 4.529 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc3cc4cc(OC)ccc4nc3o2)cc1OCC ZINC000009678130 569559611 /nfs/dbraw/zinc/55/96/11/569559611.db2.gz OQESOALBOKIDAJ-UHFFFAOYSA-N 0 0 434.492 4.760 50 0 IJAARN COc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000009680638 569560172 /nfs/dbraw/zinc/56/01/72/569560172.db2.gz IHOKECLNAIQJIU-UHFFFAOYSA-N 0 0 427.504 4.968 50 0 biogenic IJAARN CCn1c2ccccc2c2cc(NC(=O)Cn3ncc4c3c3ccccc3oc4=O)ccc21 ZINC000009681452 569560224 /nfs/dbraw/zinc/56/02/24/569560224.db2.gz ZOUUPGKCZLODAL-UHFFFAOYSA-N 0 0 436.471 4.909 50 0 IJAARN COCCCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1cc(C)on1 ZINC000009684193 569560515 /nfs/dbraw/zinc/56/05/15/569560515.db2.gz BCFNAVRZZUAXJD-UHFFFAOYSA-N 0 0 427.551 4.750 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000009690541 569560977 /nfs/dbraw/zinc/56/09/77/569560977.db2.gz USCQAHDGSGXKPB-JTQLQIEISA-N 0 0 429.299 4.589 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009703892 569561433 /nfs/dbraw/zinc/56/14/33/569561433.db2.gz WAMOMALELYYZJU-UHFFFAOYSA-N 0 0 439.880 4.945 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-n2cccc2)cc1 ZINC000009707835 569561733 /nfs/dbraw/zinc/56/17/33/569561733.db2.gz WWERVWGVSDHKIW-UHFFFAOYSA-N 0 0 432.553 4.526 50 0 IJAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nnnn2C2CCCC2)cs1 ZINC000009711973 569562137 /nfs/dbraw/zinc/56/21/37/569562137.db2.gz OPCWXSUWOINRDL-UHFFFAOYSA-N 0 0 428.587 4.784 50 0 IJAARN CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(OC)cc1 ZINC000009712817 569562368 /nfs/dbraw/zinc/56/23/68/569562368.db2.gz SSLZANMHCXWAST-UHFFFAOYSA-N 0 0 435.528 4.651 50 0 IJAARN CCOc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc(OCC)c1OCC ZINC000009713472 569562583 /nfs/dbraw/zinc/56/25/83/569562583.db2.gz KSKOXJVUCJESQA-UHFFFAOYSA-N 0 0 437.540 4.779 50 0 IJAARN Cc1nc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2s1 ZINC000009714815 569562882 /nfs/dbraw/zinc/56/28/82/569562882.db2.gz BBKPOOBXTWJXMJ-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1nc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000009714767 569562889 /nfs/dbraw/zinc/56/28/89/569562889.db2.gz GCIGOSQYBDOQLE-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN O=C(Cc1cn2ccsc2n1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009715146 569563036 /nfs/dbraw/zinc/56/30/36/569563036.db2.gz QHXROSJVSCVTJJ-UHFFFAOYSA-N 0 0 444.438 4.848 50 0 IJAARN COc1ccc(-c2cn3nc(CNc4ccc(NC(C)=O)cc4)n4c3c2CCCC4)cc1 ZINC000009715205 569563059 /nfs/dbraw/zinc/56/30/59/569563059.db2.gz MLZJMNBAKGDKMG-UHFFFAOYSA-N 0 0 429.524 4.718 50 0 IJAARN COc1cc(NC(=O)NCc2cccn2Cc2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000009723174 569563543 /nfs/dbraw/zinc/56/35/43/569563543.db2.gz DCBIIRYTYNBUDT-UHFFFAOYSA-N 0 0 437.540 4.809 50 0 IJAARN CCn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nnc1-c1cccs1 ZINC000009725444 569563809 /nfs/dbraw/zinc/56/38/09/569563809.db2.gz QNIZJPQHHCKBAH-OAHLLOKOSA-N 0 0 426.611 4.875 50 0 IJAARN CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)NCc4ccccc4)c3c2c1 ZINC000009725575 569563825 /nfs/dbraw/zinc/56/38/25/569563825.db2.gz JUTBHTCYCOFSHF-UHFFFAOYSA-N 0 0 436.515 4.967 50 0 IJAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1 ZINC000009727556 569564081 /nfs/dbraw/zinc/56/40/81/569564081.db2.gz MDNSBGXCKWRZHI-UHFFFAOYSA-N 0 0 429.567 4.699 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(N2CCCC2=O)c1 ZINC000009730025 569564316 /nfs/dbraw/zinc/56/43/16/569564316.db2.gz PEACYMOZAJAEOP-UHFFFAOYSA-N 0 0 442.338 4.952 50 0 IJAARN CN(Cc1ccc(F)cc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009730134 569564353 /nfs/dbraw/zinc/56/43/53/569564353.db2.gz YVPPMQJCEXBWDH-UHFFFAOYSA-N 0 0 435.528 4.651 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C)o1 ZINC000009731860 569564723 /nfs/dbraw/zinc/56/47/23/569564723.db2.gz PYPNMMCETNMULQ-JOCHJYFZSA-N 0 0 441.491 4.783 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009745797 569565682 /nfs/dbraw/zinc/56/56/82/569565682.db2.gz YJHHGOZIVORNMX-OAQYLSRUSA-N 0 0 432.524 4.995 50 0 IJAARN C[C@@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1cccs1 ZINC000009762459 569566459 /nfs/dbraw/zinc/56/64/59/569566459.db2.gz FDLAFYJEOZUPGG-GOSISDBHSA-N 0 0 431.561 4.511 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000009766223 569566809 /nfs/dbraw/zinc/56/68/09/569566809.db2.gz PJUZBXYNWFLOOP-GOSISDBHSA-N 0 0 432.549 4.611 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778703 569567345 /nfs/dbraw/zinc/56/73/45/569567345.db2.gz JKLHNYMZWYYLSX-SFTDATJTSA-N 0 0 434.854 4.540 50 0 IJAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@H](C)C(=O)Nc1cc(C)on1 ZINC000009783543 569567851 /nfs/dbraw/zinc/56/78/51/569567851.db2.gz VUFUTIZROXLAMV-MRXNPFEDSA-N 0 0 445.475 4.803 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cccc(SC)c2)cs1 ZINC000009785043 569567878 /nfs/dbraw/zinc/56/78/78/569567878.db2.gz ODFSYEOLSIYGNY-UHFFFAOYSA-N 0 0 428.539 4.699 50 0 IJAARN Cc1ccc2cc(COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c(Cl)nc2c1 ZINC000009788074 569567963 /nfs/dbraw/zinc/56/79/63/569567963.db2.gz ATXOKFSCELGFDH-UHFFFAOYSA-N 0 0 425.840 4.550 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)nc2-c2ccc(C)cc2)cc1 ZINC000009792267 569568284 /nfs/dbraw/zinc/56/82/84/569568284.db2.gz MCHSBZSKHCTVNX-UHFFFAOYSA-N 0 0 430.533 4.824 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnc(-c3ccccc3)o2)C1=O ZINC000009795850 569568459 /nfs/dbraw/zinc/56/84/59/569568459.db2.gz XONMLAOGLIQALL-QGZVFWFLSA-N 0 0 427.913 4.704 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000009799464 569568596 /nfs/dbraw/zinc/56/85/96/569568596.db2.gz DHMQPHQJYPGCCR-UHFFFAOYSA-N 0 0 434.208 4.746 50 0 IJAARN COc1cccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)c1 ZINC000009804727 569568681 /nfs/dbraw/zinc/56/86/81/569568681.db2.gz SOWISZCTAFHTEX-MUUNZHRXSA-N 0 0 437.495 4.856 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1C[C@H]1CCCO1 ZINC000009819785 569569382 /nfs/dbraw/zinc/56/93/82/569569382.db2.gz KJLMGUFKRMKOGW-QGZVFWFLSA-N 0 0 442.610 4.914 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)c1 ZINC000009820831 569569459 /nfs/dbraw/zinc/56/94/59/569569459.db2.gz QHFQFCVNQVCTPV-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN Brc1ccc(CSc2nnc3ccc(-c4ccc5c(c4)OCO5)nn32)cc1 ZINC000009829158 569569975 /nfs/dbraw/zinc/56/99/75/569569975.db2.gz SXORIBFFQXAGPR-UHFFFAOYSA-N 0 0 441.310 4.575 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)Oc1coc(CSc2ncccn2)cc1=O ZINC000009829297 569570002 /nfs/dbraw/zinc/57/00/02/569570002.db2.gz LUXYUJDKPYHNFD-UHFFFAOYSA-N 0 0 444.512 4.850 50 0 IJAARN O=C(c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 ZINC000009829727 569570177 /nfs/dbraw/zinc/57/01/77/569570177.db2.gz DKIYPSULTYLSDT-UHFFFAOYSA-N 0 0 429.910 4.982 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N(c2ccc(Br)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009834055 569570447 /nfs/dbraw/zinc/57/04/47/569570447.db2.gz OXPKEUFHDYMUOK-LJQANCHMSA-N 0 0 448.382 4.704 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1Cl ZINC000009835614 569570677 /nfs/dbraw/zinc/57/06/77/569570677.db2.gz URMXGILVCMWLIQ-UHFFFAOYSA-N 0 0 428.916 4.898 50 0 IJAARN COc1ccc(Nc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccccc2)cc1OC ZINC000009847338 569571139 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CCCCCOc1ccc(OC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000010013083 569577070 /nfs/dbraw/zinc/57/70/70/569577070.db2.gz NOHGMZSVTVSHFH-UHFFFAOYSA-N 0 0 426.538 4.511 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCCCC(=O)c2cccs2)c1 ZINC000010022688 569577250 /nfs/dbraw/zinc/57/72/50/569577250.db2.gz ZURWHCWPMSSURT-UHFFFAOYSA-N 0 0 449.594 4.521 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000010035217 569577369 /nfs/dbraw/zinc/57/73/69/569577369.db2.gz BKMTZQMILSMAHU-HSZRJFAPSA-N 0 0 435.549 4.622 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)cc1 ZINC000010045193 569577505 /nfs/dbraw/zinc/57/75/05/569577505.db2.gz CDUIAFHOCBCXAI-UHFFFAOYSA-N 0 0 448.519 4.993 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)n1 ZINC000010042675 569577530 /nfs/dbraw/zinc/57/75/30/569577530.db2.gz CSKVKNXFFVIEQT-UHFFFAOYSA-N 0 0 447.516 4.725 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3I)s2)cs1 ZINC000010105323 569577890 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/nfs/dbraw/zinc/58/26/03/569582603.db2.gz VDBSNKOVJMHYGC-CQSZACIVSA-N 0 0 437.546 4.575 50 0 IJAARN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)C2CC2)C(C)C)cc1 ZINC000036046167 569583495 /nfs/dbraw/zinc/58/34/95/569583495.db2.gz CSKMMATYAYNMNV-UHFFFAOYSA-N 0 0 444.579 5.248 50 0 IJAARN O=C(OC1CN(c2nc3c(cc(F)cc3F)s2)C1)c1csc(-c2ccccc2)n1 ZINC000077101436 569585572 /nfs/dbraw/zinc/58/55/72/569585572.db2.gz HNSGAUYXBATBGB-UHFFFAOYSA-N 0 0 429.473 4.744 50 0 IJAARN CCOc1ccccc1CN(C[C@@H](C)O)C(=O)/C=C/c1cc(Cl)c(OC)c(OCC)c1 ZINC000078282119 569586639 /nfs/dbraw/zinc/58/66/39/569586639.db2.gz JJDISDCBQBOHPH-FMQWLBJXSA-N 0 0 447.959 4.569 50 0 IJAARN COCCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)NC(C)C ZINC000036124534 569587934 /nfs/dbraw/zinc/58/79/34/569587934.db2.gz UZIWLPRSBFCSQN-UHFFFAOYSA-N 0 0 432.373 4.595 50 0 IJAARN COc1cc(C(=O)/C(=C/c2ccc(C#N)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000050647517 569588161 /nfs/dbraw/zinc/58/81/61/569588161.db2.gz UOIAPFDYANOZFP-UNOMPAQXSA-N 0 0 439.471 4.884 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000253598810 291392623 /nfs/dbraw/zinc/39/26/23/291392623.db2.gz FWCXELAAYFYCSR-JTUWGOFYSA-N 0 0 432.645 4.765 50 0 biogenic,in-vitro IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253598813 291392469 /nfs/dbraw/zinc/39/24/69/291392469.db2.gz FWCXELAAYFYCSR-QKKIGMCMSA-N 0 0 432.645 4.765 50 0 biogenic,in-vitro IJAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000000640214 193867531 /nfs/dbraw/zinc/86/75/31/193867531.db2.gz WDYRQFPFHBBJBW-MRXNPFEDSA-N 0 0 444.940 4.926 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000654328 193874079 /nfs/dbraw/zinc/87/40/79/193874079.db2.gz CBFCVNLCZZLJCL-ZDUSSCGKSA-N 0 0 427.353 4.809 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)nc1 ZINC000000657436 193875369 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/nfs/dbraw/zinc/24/44/85/132244485.db2.gz RMMWHPXFLHCEGR-UHFFFAOYSA-N 0 0 438.506 4.912 50 0 IJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(c4ccccc4F)CC3)cc12 ZINC000002415531 132253916 /nfs/dbraw/zinc/25/39/16/132253916.db2.gz QQZNOELPBISUIS-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC000002419803 132254120 /nfs/dbraw/zinc/25/41/20/132254120.db2.gz DTQRZVWJEVUHBO-UHFFFAOYSA-N 0 0 446.576 4.675 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)n1 ZINC000002726389 132256768 /nfs/dbraw/zinc/25/67/68/132256768.db2.gz SJUDCNLOGFFAML-UHFFFAOYSA-N 0 0 444.457 4.597 50 0 IJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)cc1OC ZINC000002924203 132258762 /nfs/dbraw/zinc/25/87/62/132258762.db2.gz FEZAMBAAVIFJHF-CYBMUJFWSA-N 0 0 426.542 4.648 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc1OC ZINC000002924068 132258776 /nfs/dbraw/zinc/25/87/76/132258776.db2.gz STDPZCWWWFAZLF-UHFFFAOYSA-N 0 0 426.542 4.568 50 0 IJAARN Cc1c(C(=O)N(C)Cc2ccccc2)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931544 132259227 /nfs/dbraw/zinc/25/92/27/132259227.db2.gz TVJOSXYXQJXLTG-UHFFFAOYSA-N 0 0 428.561 4.835 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21 ZINC000003057359 132261276 /nfs/dbraw/zinc/26/12/76/132261276.db2.gz ABAHUKSBJNXGNS-HLNOYYKJSA-N 0 0 444.506 4.730 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000003334626 132264125 /nfs/dbraw/zinc/26/41/25/132264125.db2.gz AEDNPCDBMVKCOS-DEOSSOPVSA-N 0 0 446.572 4.636 50 0 IJAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003365993 132264632 /nfs/dbraw/zinc/26/46/32/132264632.db2.gz KTDQKIZYWAAHOK-UHFFFAOYSA-N 0 0 446.887 4.615 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000004109554 132269641 /nfs/dbraw/zinc/26/96/41/132269641.db2.gz MOMPEJGUZPKVIC-LFYBBSHMSA-N 0 0 435.911 4.547 50 0 IJAARN Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 ZINC000004703979 132272740 /nfs/dbraw/zinc/27/27/40/132272740.db2.gz ZQSCAKKZAKMOEM-UHFFFAOYSA-N 0 0 427.548 4.827 50 0 IJAARN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000006306573 132277149 /nfs/dbraw/zinc/27/71/49/132277149.db2.gz OPQAKJMHEZHKLH-UHFFFAOYSA-N 0 0 427.548 4.911 50 0 IJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c2cc(C)ccc2O1 ZINC000008588564 132283268 /nfs/dbraw/zinc/28/32/68/132283268.db2.gz NBVKPAFZDPCIIE-JOCHJYFZSA-N 0 0 439.600 4.811 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 ZINC000008594454 132284453 /nfs/dbraw/zinc/28/44/53/132284453.db2.gz WDUCPVOCKVJAIZ-UHFFFAOYSA-N 0 0 432.549 4.718 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3cc(C)ccc3[nH]c4=O)C[C@@H]2C)c1 ZINC000008604776 132287057 /nfs/dbraw/zinc/28/70/57/132287057.db2.gz OYLAGLIOBUVAOT-KRWDZBQOSA-N 0 0 431.561 4.711 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2N1Cc1ccccc1 ZINC000008840658 132295719 /nfs/dbraw/zinc/29/57/19/132295719.db2.gz PQRYTLAJSIHMDO-UHFFFAOYSA-N 0 0 446.572 4.846 50 0 IJAARN Cc1csc(SCc2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008893772 132297125 /nfs/dbraw/zinc/29/71/25/132297125.db2.gz ZSBVSEGGYINJHV-UHFFFAOYSA-N 0 0 425.579 4.833 50 0 IJAARN Cc1ccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3nccnc32)cc1C ZINC000009074512 132302086 /nfs/dbraw/zinc/30/20/86/132302086.db2.gz AFYDPSMSSXITOW-UHFFFAOYSA-N 0 0 445.958 4.760 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000009118976 132304597 /nfs/dbraw/zinc/30/45/97/132304597.db2.gz SGLIHOKMLRNNFZ-UHFFFAOYSA-N 0 0 442.556 4.620 50 0 IJAARN Cc1ccccc1N1CC(=O)N(c2ccc(Br)cc2)[C@H](c2cccs2)C1=O ZINC000009130093 132305755 /nfs/dbraw/zinc/30/57/55/132305755.db2.gz RTOCZVIPEFBLCD-HXUWFJFHSA-N 0 0 441.350 4.940 50 0 IJAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000009193106 132308248 /nfs/dbraw/zinc/30/82/48/132308248.db2.gz PHIPCQWLNYIXEY-INIZCTEOSA-N 0 0 438.503 4.535 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)c2cc(Cl)ccc2O1 ZINC000009405816 132315024 /nfs/dbraw/zinc/31/50/24/132315024.db2.gz IJTWVKONAJRTCI-CYBMUJFWSA-N 0 0 449.885 4.676 50 0 IJAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)N1CCCc2ccccc21 ZINC000009407669 132315883 /nfs/dbraw/zinc/31/58/83/132315883.db2.gz BIEIKIFYODWBEQ-UHFFFAOYSA-N 0 0 429.950 4.949 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)CC1 ZINC000009422894 132316548 /nfs/dbraw/zinc/31/65/48/132316548.db2.gz MFRRFBFEWSBIBQ-UHFFFAOYSA-N 0 0 446.576 4.675 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000009427047 132316649 /nfs/dbraw/zinc/31/66/49/132316649.db2.gz IDZHDOWXPUFOJO-UHFFFAOYSA-N 0 0 445.563 4.795 50 0 IJAARN CCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009435550 132317544 /nfs/dbraw/zinc/31/75/44/132317544.db2.gz JUWXMITWEFPGAN-UHFFFAOYSA-N 0 0 442.556 4.682 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000009594579 132322646 /nfs/dbraw/zinc/32/26/46/132322646.db2.gz GMZFANQRTWHCRP-CALCHBBNSA-N 0 0 436.581 4.591 50 0 IJAARN COc1ccccc1[C@H]1[C@H](C(=O)Nc2cccc(C)n2)CCC(=O)N1c1ccc(C)cc1 ZINC000009671029 132325068 /nfs/dbraw/zinc/32/50/68/132325068.db2.gz FLVDRADROLGCDU-BWKNWUBXSA-N 0 0 429.520 4.830 50 0 IJAARN COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cccc(C)n2)CCC(=O)N1c1ccc(C)cc1 ZINC000009671034 132325074 /nfs/dbraw/zinc/32/50/74/132325074.db2.gz FLVDRADROLGCDU-OFVILXPXSA-N 0 0 429.520 4.830 50 0 IJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCc3ccco3)C2=O)c1 ZINC000009692943 132326165 /nfs/dbraw/zinc/32/61/65/132326165.db2.gz GAVYWFLWQYIGDV-WZONZLPQSA-N 0 0 434.561 4.856 50 0 IJAARN Cc1ccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000009693851 132326372 /nfs/dbraw/zinc/32/63/72/132326372.db2.gz DHWZYIGEPLNTTI-SSEXGKCCSA-N 0 0 442.968 4.512 50 0 IJAARN Cc1c(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)noc1-c1ccc(F)cc1 ZINC000009728524 132327806 /nfs/dbraw/zinc/32/78/06/132327806.db2.gz ZTBVZNZQQDYVKO-HSZRJFAPSA-N 0 0 435.499 4.569 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3scc(-c4ccc(C)cc4)c31)C[C@H]2O ZINC000009781368 132328935 /nfs/dbraw/zinc/32/89/35/132328935.db2.gz WEPJYIDCBIHSJX-GOSISDBHSA-N 0 0 433.533 4.738 50 0 IJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)sc3c2c1 ZINC000009831046 132329486 /nfs/dbraw/zinc/32/94/86/132329486.db2.gz HCIJEDNMUCGCFO-UHFFFAOYSA-N 0 0 431.561 4.630 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009832012 132329593 /nfs/dbraw/zinc/32/95/93/132329593.db2.gz XGDDAAQGDPYJFX-UHFFFAOYSA-N 0 0 437.590 4.531 50 0 IJAARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3N3CCOCC3)cs2)cc1 ZINC000009906996 132331199 /nfs/dbraw/zinc/33/11/99/132331199.db2.gz TYHSMNJQTSHINR-UHFFFAOYSA-N 0 0 427.957 4.790 50 0 IJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009906977 132331236 /nfs/dbraw/zinc/33/12/36/132331236.db2.gz VSXCIWFYMQIVMS-UHFFFAOYSA-N 0 0 431.920 4.620 50 0 IJAARN COc1ccc(CN2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000010272502 132335315 /nfs/dbraw/zinc/33/53/15/132335315.db2.gz OQKCZLYLIKIKAR-UHFFFAOYSA-N 0 0 442.924 4.680 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1 ZINC000013042028 132343569 /nfs/dbraw/zinc/34/35/69/132343569.db2.gz CLZLVVJGZMWDSZ-UHFFFAOYSA-N 0 0 431.945 4.690 50 0 IJAARN Cc1cc(C)c(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 ZINC000013109481 132344667 /nfs/dbraw/zinc/34/46/67/132344667.db2.gz PWKPXEPZPRAFAA-UHFFFAOYSA-N 0 0 434.458 4.668 50 0 IJAARN O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000013149973 132345964 /nfs/dbraw/zinc/34/59/64/132345964.db2.gz QLSIRFAXFTWXGG-UHFFFAOYSA-N 0 0 430.533 4.690 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc12 ZINC000013330392 132346457 /nfs/dbraw/zinc/34/64/57/132346457.db2.gz RUDKLZOPXKAFGT-UHFFFAOYSA-N 0 0 447.482 4.639 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000013568066 132350665 /nfs/dbraw/zinc/35/06/65/132350665.db2.gz KNIGGVFKGMKIOH-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583622 132351031 /nfs/dbraw/zinc/35/10/31/132351031.db2.gz CBSWQGYBVBIGPM-UHFFFAOYSA-N 0 0 438.574 4.802 50 0 IJAARN Cc1csc2ncnc(N3CCN(C(=S)Nc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC000013703759 132353794 /nfs/dbraw/zinc/35/37/94/132353794.db2.gz OVNIMORJXCMHKU-UHFFFAOYSA-N 0 0 437.516 4.538 50 0 IJAARN COc1cccc(-c2ccc(SCc3nc(-c4cc(OC)cc(OC)c4)no3)nn2)c1 ZINC000033262481 518164178 /nfs/dbraw/zinc/16/41/78/518164178.db2.gz DWXCGBIQOIFRQS-UHFFFAOYSA-N 0 0 436.493 4.512 50 0 IJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2sc(C)nc2C)C3)c1 ZINC000014960563 518340288 /nfs/dbraw/zinc/34/02/88/518340288.db2.gz JPHGMKVRBSEKIM-SFHVURJKSA-N 0 0 438.524 4.811 50 0 IJAARN CC(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 ZINC000020565185 518363428 /nfs/dbraw/zinc/36/34/28/518363428.db2.gz QFYLTEUQMLNNBI-UHFFFAOYSA-N 0 0 446.532 4.610 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 ZINC000008862410 518442993 /nfs/dbraw/zinc/44/29/93/518442993.db2.gz ZOMDEHPBMAMPFB-HSZRJFAPSA-N 0 0 442.544 4.939 50 0 IJAARN CC(C)(C)C(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000023898178 518557821 /nfs/dbraw/zinc/55/78/21/518557821.db2.gz LKRPDJQBGANCIS-UHFFFAOYSA-N 0 0 440.535 4.979 50 0 IJAARN CC(C)(C)c1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000035622717 519005292 /nfs/dbraw/zinc/00/52/92/519005292.db2.gz HMWYLJGLRBQWBV-RTWAWAEBSA-N 0 0 436.552 4.862 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033268519 519022407 /nfs/dbraw/zinc/02/24/07/519022407.db2.gz YIBUQIHWPPMEHN-UHFFFAOYSA-N 0 0 427.504 4.823 50 0 IJAARN CC(C)(C)c1ccc(Cn2c3ccccc3n(C[C@@H](O)COc3ccccc3)c2=N)cc1 ZINC000020827506 519034680 /nfs/dbraw/zinc/03/46/80/519034680.db2.gz QJOIKTKBPKNQBC-JOCHJYFZSA-N 0 0 429.564 4.708 50 0 IJAARN CC(C)C(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849139 519472164 /nfs/dbraw/zinc/47/21/64/519472164.db2.gz DASBTZVBTPALJJ-UHFFFAOYSA-N 0 0 448.636 4.660 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)c(C)s3)ccc21 ZINC000021597417 519631246 /nfs/dbraw/zinc/63/12/46/519631246.db2.gz VAAXHERTRDKAGM-UHFFFAOYSA-N 0 0 443.475 4.881 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000024637947 519685080 /nfs/dbraw/zinc/68/50/80/519685080.db2.gz LDWQDDAMALRTAH-QFIPXVFZSA-N 0 0 435.911 4.798 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000021615024 519706654 /nfs/dbraw/zinc/70/66/54/519706654.db2.gz ZAGXNQHJKPDBGY-UHFFFAOYSA-N 0 0 442.928 4.556 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)c(F)c1 ZINC000040132039 519708179 /nfs/dbraw/zinc/70/81/79/519708179.db2.gz IKFWXPFCNKRIKQ-UHFFFAOYSA-N 0 0 427.457 4.580 50 0 IJAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccccc4Cl)ccc3[nH]2)cc1 ZINC000021354007 519718444 /nfs/dbraw/zinc/71/84/44/519718444.db2.gz IXELRTROTNOBGO-UHFFFAOYSA-N 0 0 432.911 4.696 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000012886866 519722359 /nfs/dbraw/zinc/72/23/59/519722359.db2.gz OTNGDKMUJWQMKI-UHFFFAOYSA-N 0 0 432.476 4.994 50 0 biogenic IJAARN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000016321471 519735150 /nfs/dbraw/zinc/73/51/50/519735150.db2.gz KZULZSVZYZOXPS-UHFFFAOYSA-N 0 0 439.349 4.688 50 0 IJAARN CC(C)Oc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 ZINC000023137357 519778655 /nfs/dbraw/zinc/77/86/55/519778655.db2.gz QNUCWOKHSNSKRV-UHFFFAOYSA-N 0 0 427.595 4.617 50 0 IJAARN CC(C)[C@H](C(=O)OCc1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000035828495 519810261 /nfs/dbraw/zinc/81/02/61/519810261.db2.gz ZOOCCPOPMFRAAH-XMMPIXPASA-N 0 0 447.531 4.592 50 0 IJAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936031 519828271 /nfs/dbraw/zinc/82/82/71/519828271.db2.gz YUDLSQWMIYGFDM-FZKQIMNGSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCc3cccc(F)c3)cc3c2CCCC3=O)cc1 ZINC000033126896 519834045 /nfs/dbraw/zinc/83/40/45/519834045.db2.gz PMRIBYJMLAWAQA-UHFFFAOYSA-N 0 0 432.495 4.549 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCC(C)CC3)c3ccccc32)cc1 ZINC000020570029 519837097 /nfs/dbraw/zinc/83/70/97/519837097.db2.gz YWHNPOZMSSKBJX-UHFFFAOYSA-N 0 0 445.563 4.636 50 0 IJAARN CCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2 ZINC000015849560 519888991 /nfs/dbraw/zinc/88/89/91/519888991.db2.gz APLIKJBYXVHGFN-FDCFBWIESA-N 0 0 444.531 4.802 50 0 IJAARN CCCCC(=O)N1CCN(c2nc([C@H](C)CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925790 519907663 /nfs/dbraw/zinc/90/76/63/519907663.db2.gz JXEMWMMSLQGLJG-LJQANCHMSA-N 0 0 434.588 4.558 50 0 IJAARN CCCCC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035866332 519907943 /nfs/dbraw/zinc/90/79/43/519907943.db2.gz HUWYNLPFMLINSB-QGZVFWFLSA-N 0 0 428.646 4.998 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2 ZINC000033788684 520222142 /nfs/dbraw/zinc/22/21/42/520222142.db2.gz APRROCUMRVKTDW-DEBLGDTFSA-N 0 0 427.522 4.820 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OCCC)cc4)c(=O)n3n2)cc1 ZINC000033168196 520247952 /nfs/dbraw/zinc/24/79/52/520247952.db2.gz HPQGMBRQAREEJT-OQKWZONESA-N 0 0 449.576 4.724 50 0 IJAARN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)nc(C)n1 ZINC000012226396 520315073 /nfs/dbraw/zinc/31/50/73/520315073.db2.gz WUUBGHRTEIDXER-UHFFFAOYSA-N 0 0 442.541 4.517 50 0 IJAARN CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1OCC ZINC000012893860 520338665 /nfs/dbraw/zinc/33/86/65/520338665.db2.gz NHAYHZJPSBIHDP-UHFFFAOYSA-N 0 0 434.418 4.726 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccccc2F)c1C ZINC000012823492 520351817 /nfs/dbraw/zinc/35/18/17/520351817.db2.gz LZCIBWHZPNKDNG-UHFFFAOYSA-N 0 0 449.313 4.727 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1Br ZINC000015001123 520367907 /nfs/dbraw/zinc/36/79/07/520367907.db2.gz UPNPIRUHIHRCQA-UHFFFAOYSA-N 0 0 429.236 4.569 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)c1ccco1 ZINC000036052108 520372302 /nfs/dbraw/zinc/37/23/02/520372302.db2.gz MGQJHEGNXAKNGM-UHFFFAOYSA-N 0 0 446.482 4.681 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1ccccc1 ZINC000036046047 520372316 /nfs/dbraw/zinc/37/23/16/520372316.db2.gz DTLLTDAGQXNAOB-UHFFFAOYSA-N 0 0 438.531 4.569 50 0 IJAARN CCCS(=O)(=O)N1CC=C(c2c(C)n(Cc3ccc(OC)cc3)c3ccccc32)CC1 ZINC000035421168 520517132 /nfs/dbraw/zinc/51/71/32/520517132.db2.gz WBRKXANRGNYWKH-UHFFFAOYSA-N 0 0 438.593 4.836 50 0 IJAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 ZINC000012600609 520552242 /nfs/dbraw/zinc/55/22/42/520552242.db2.gz CFJXDBOTSMIHES-UHFFFAOYSA-N 0 0 440.540 4.751 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000024030534 520561111 /nfs/dbraw/zinc/56/11/11/520561111.db2.gz NEABOWQQAHWTAF-UHFFFAOYSA-N 0 0 428.895 4.708 50 0 IJAARN CCCSCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855848 520563400 /nfs/dbraw/zinc/56/34/00/520563400.db2.gz AZRWLQVJOFYECI-VWLOTQADSA-N 0 0 441.641 4.838 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2C)CC1 ZINC000035987310 520571962 /nfs/dbraw/zinc/57/19/62/520571962.db2.gz JSNUZTHXTGNYMX-UHFFFAOYSA-N 0 0 445.519 4.660 50 0 IJAARN CCOc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1OC ZINC000021209044 520595919 /nfs/dbraw/zinc/59/59/19/520595919.db2.gz AAOPAVGNFMXFJY-UHFFFAOYSA-N 0 0 443.887 4.914 50 0 IJAARN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042213 520679147 /nfs/dbraw/zinc/67/91/47/520679147.db2.gz QRHWPBQKJHGUEX-SFTDATJTSA-N 0 0 432.486 4.786 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000012805486 520787232 /nfs/dbraw/zinc/78/72/32/520787232.db2.gz HWBSTWWYEKHFFY-UHFFFAOYSA-N 0 0 432.567 4.525 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000012619137 520808116 /nfs/dbraw/zinc/80/81/16/520808116.db2.gz SOVUVFDSNSSSOG-MRXNPFEDSA-N 0 0 427.785 4.765 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nc4nc(C)cc(C)n4n3)cs2)cc1OC ZINC000014706729 520816672 /nfs/dbraw/zinc/81/66/72/520816672.db2.gz CHKKQMZJSWZKPA-UHFFFAOYSA-N 0 0 427.555 4.564 50 0 IJAARN CCOc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OC ZINC000012604083 520845686 /nfs/dbraw/zinc/84/56/86/520845686.db2.gz NEXXXQNXROTTNE-XQNSMLJCSA-N 0 0 434.517 4.942 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936387 520894551 /nfs/dbraw/zinc/89/45/51/520894551.db2.gz MZBCUEHGBGVCPE-ACJLOTCBSA-N 0 0 440.956 4.859 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)CCN2N=C(c3ccc(C)cc3)CCC2=O)cc1 ZINC000020726269 520897342 /nfs/dbraw/zinc/89/73/42/520897342.db2.gz HLXVCCAOTHDBOD-FQEVSTJZSA-N 0 0 435.568 4.768 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1OCC ZINC000032998433 520919547 /nfs/dbraw/zinc/91/95/47/520919547.db2.gz IPVHBRXSYJOMGV-UHFFFAOYSA-N 0 0 434.492 4.997 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCc2ccccc2)CC1 ZINC000021808570 520951264 /nfs/dbraw/zinc/95/12/64/520951264.db2.gz CHQGGNRKFYNHCT-CYBGMGPVSA-N 0 0 449.620 4.855 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccccc2)CC1 ZINC000021808528 520951797 /nfs/dbraw/zinc/95/17/97/520951797.db2.gz IDRPGCIVZDGFBI-WKBCRJLYSA-N 0 0 435.593 4.812 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000020514923 520952578 /nfs/dbraw/zinc/95/25/78/520952578.db2.gz FVEKRNXETMWCOZ-GDLZYMKVSA-N 0 0 431.941 4.612 50 0 IJAARN CCOc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000035527353 520969637 /nfs/dbraw/zinc/96/96/37/520969637.db2.gz RPJHBYYBUDXCEH-NDEPHWFRSA-N 0 0 442.559 4.667 50 0 IJAARN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000012613920 521024417 /nfs/dbraw/zinc/02/44/17/521024417.db2.gz SNLPRCLBPOESDF-INIZCTEOSA-N 0 0 429.611 4.597 50 0 IJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000012411855 521039172 /nfs/dbraw/zinc/03/91/72/521039172.db2.gz PAVCEZHIBWPWDU-DEOSSOPVSA-N 0 0 426.476 4.629 50 0 IJAARN CC1CCN(c2ccc(-c3noc(CCC(=O)NCCCc4ccccc4)n3)cc2)CC1 ZINC000033283404 521039258 /nfs/dbraw/zinc/03/92/58/521039258.db2.gz WYPVTPSWKLIIGO-UHFFFAOYSA-N 0 0 432.568 4.655 50 0 IJAARN CC1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)CC1 ZINC000012586954 521043950 /nfs/dbraw/zinc/04/39/50/521043950.db2.gz IAGJJAUJCWKUHG-SANMLTNESA-N 0 0 441.575 4.903 50 0 IJAARN CCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142038 521052815 /nfs/dbraw/zinc/05/28/15/521052815.db2.gz UVKVUEHFMKCJCU-UHFFFAOYSA-N 0 0 432.524 4.831 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2SC(F)F)cc1OCC ZINC000022459014 521059030 /nfs/dbraw/zinc/05/90/30/521059030.db2.gz DOQLJOFOSCXNFA-UHFFFAOYSA-N 0 0 438.496 4.509 50 0 IJAARN CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002319604 521084699 /nfs/dbraw/zinc/08/46/99/521084699.db2.gz XLQUTXAXXDCQCU-JWQCQUIFSA-N 0 0 440.543 4.942 50 0 IJAARN CCC(=O)N(CC)CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1 ZINC000036052070 521087694 /nfs/dbraw/zinc/08/76/94/521087694.db2.gz PNOKXJKREJVSIS-UHFFFAOYSA-N 0 0 448.567 4.868 50 0 IJAARN CCC(=O)N(c1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)s1)C1CC1 ZINC000012915576 521092101 /nfs/dbraw/zinc/09/21/01/521092101.db2.gz ODJXJTPVUZLYJW-UHFFFAOYSA-N 0 0 425.963 4.551 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530681 521225901 /nfs/dbraw/zinc/22/59/01/521225901.db2.gz IEHOKHKBGRXXGL-JOCHJYFZSA-N 0 0 430.504 4.820 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2cc(C)ccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530650 521227063 /nfs/dbraw/zinc/22/70/63/521227063.db2.gz UMSJAJUFFVWVOO-OAQYLSRUSA-N 0 0 445.519 4.523 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)cc1 ZINC000012782814 521245515 /nfs/dbraw/zinc/24/55/15/521245515.db2.gz PLELOOVLBYQJOZ-JOCHJYFZSA-N 0 0 432.476 4.638 50 0 IJAARN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OCC ZINC000016361260 521273610 /nfs/dbraw/zinc/27/36/10/521273610.db2.gz ROYSIXNUJYRONQ-HXUWFJFHSA-N 0 0 445.972 4.569 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cn1nc(C)c2ccccc2c1=O ZINC000022083392 521329557 /nfs/dbraw/zinc/32/95/57/521329557.db2.gz DZYNCWCDUFRZRP-UHFFFAOYSA-N 0 0 449.576 4.834 50 0 IJAARN CCCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2c3ccccc3oc2c1=O ZINC000009749628 521369748 /nfs/dbraw/zinc/36/97/48/521369748.db2.gz MGEIYPWOBKVCIB-UHFFFAOYSA-N 0 0 435.549 4.660 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N3CCCC[C@H]3C)c2sc1NC(=O)CC ZINC000033113588 521420895 /nfs/dbraw/zinc/42/08/95/521420895.db2.gz IAZVFKIPMVQWPU-OAHLLOKOSA-N 0 0 446.569 4.515 50 0 IJAARN CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1C(F)(F)F ZINC000012555262 521427765 /nfs/dbraw/zinc/42/77/65/521427765.db2.gz DSQWUQFZDWDJDI-UHFFFAOYSA-N 0 0 426.398 4.986 50 0 IJAARN CCOc1ccccc1CNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035528877 521489923 /nfs/dbraw/zinc/48/99/23/521489923.db2.gz SRROSWPMXZZORZ-UHFFFAOYSA-N 0 0 429.948 4.689 50 0 IJAARN CCC(CC)C(=O)Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020464653 521499789 /nfs/dbraw/zinc/49/97/89/521499789.db2.gz ABHHYARVAOQALE-UHFFFAOYSA-N 0 0 433.552 4.766 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 ZINC000015881577 521500466 /nfs/dbraw/zinc/50/04/66/521500466.db2.gz QAACUOWLEVTPML-UHFFFAOYSA-N 0 0 446.507 4.705 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@](=O)Cc2ccc(Cl)cc2)o1 ZINC000020515137 521500710 /nfs/dbraw/zinc/50/07/10/521500710.db2.gz PRKMFBLILAVBGG-LJAQVGFWSA-N 0 0 431.941 4.711 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)cc1 ZINC000033267714 521505077 /nfs/dbraw/zinc/50/50/77/521505077.db2.gz YBCHMACYVPTLMM-OAQYLSRUSA-N 0 0 428.492 4.693 50 0 IJAARN CCOc1ccccc1N1CCN(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000012537750 521517626 /nfs/dbraw/zinc/51/76/26/521517626.db2.gz CQDOXWKVXQQDDA-FQEVSTJZSA-N 0 0 447.019 4.732 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000035765925 521532720 /nfs/dbraw/zinc/53/27/20/521532720.db2.gz TXIHYAXVGIYAJK-UHFFFAOYSA-N 0 0 436.527 4.737 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)C3=C(c4ccccc4)SCCO3)sc2c1 ZINC000012390651 521532733 /nfs/dbraw/zinc/53/27/33/521532733.db2.gz NYKDDAHPNYFGBU-UHFFFAOYSA-N 0 0 426.519 4.544 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccs4)CC2)n1)CC[C@H](C)C3 ZINC000035866007 521543879 /nfs/dbraw/zinc/54/38/79/521543879.db2.gz WGGWRUHSUBOWAW-HNNXBMFYSA-N 0 0 440.638 4.793 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000020445729 521573472 /nfs/dbraw/zinc/57/34/72/521573472.db2.gz WTTXUVXPLKQBMQ-RBUKOAKNSA-N 0 0 445.951 4.729 50 0 IJAARN CCOc1ccccc1[C@H]1Oc2nc(SCC)nnc2-c2cc(C)ccc2N1C(C)=O ZINC000032997488 521590457 /nfs/dbraw/zinc/59/04/57/521590457.db2.gz KJGPSWLTGOAODV-JOCHJYFZSA-N 0 0 436.537 4.802 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)Cc1ccccc1 ZINC000012409542 521620991 /nfs/dbraw/zinc/62/09/91/521620991.db2.gz OWAIOWKORTZDQL-UHFFFAOYSA-N 0 0 440.565 4.538 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022240754 521639527 /nfs/dbraw/zinc/63/95/27/521639527.db2.gz KIRWWQYONMTVJZ-UHFFFAOYSA-N 0 0 431.462 4.715 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccccc3OCC)c2s1 ZINC000035534012 521651111 /nfs/dbraw/zinc/65/11/11/521651111.db2.gz DYFCXFRWZGYKHR-UHFFFAOYSA-N 0 0 445.614 4.842 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cc(F)ccc3F)c2s1 ZINC000035533980 521651197 /nfs/dbraw/zinc/65/11/97/521651197.db2.gz QVJVEXJGHVLYPE-UHFFFAOYSA-N 0 0 437.541 4.722 50 0 IJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCCc1ccccc1)CC2 ZINC000021944580 521730407 /nfs/dbraw/zinc/73/04/07/521730407.db2.gz QSJKEZPBYKLWBB-UHFFFAOYSA-N 0 0 428.580 4.869 50 0 biogenic IJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc(C)c(C)c1)CC2 ZINC000035372158 521730517 /nfs/dbraw/zinc/73/05/17/521730517.db2.gz RORPYRUNGUAFHH-UHFFFAOYSA-N 0 0 449.620 4.922 50 0 biogenic IJAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)c2ccccc2Cl)c(C)n1C ZINC000036018357 521751345 /nfs/dbraw/zinc/75/13/45/521751345.db2.gz YWWQIGJNBTZFEX-QGZVFWFLSA-N 0 0 446.975 4.842 50 0 IJAARN COCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000035402486 521751959 /nfs/dbraw/zinc/75/19/59/521751959.db2.gz XZGHTXILIKXRLG-UHFFFAOYSA-N 0 0 434.521 4.582 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)C[C@H](C)O4)on1)CCCC2 ZINC000011914779 521787423 /nfs/dbraw/zinc/78/74/23/521787423.db2.gz IFHSSEGQACOMOV-LBPRGKRZSA-N 0 0 438.505 4.644 50 0 IJAARN CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000020604842 521801383 /nfs/dbraw/zinc/80/13/83/521801383.db2.gz PSZQRLAZHWQSKC-HNNXBMFYSA-N 0 0 443.594 4.674 50 0 IJAARN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563420 521861727 /nfs/dbraw/zinc/86/17/27/521861727.db2.gz WJQZQGYYTXUKNB-NRFANRHFSA-N 0 0 443.551 4.714 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1)n1c2ccccc2nc(-c2ccccc2NC(C)=O)c1=O ZINC000021789414 521872750 /nfs/dbraw/zinc/87/27/50/521872750.db2.gz KAWMHCYJRHVDBX-QFIPXVFZSA-N 0 0 440.503 4.612 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000021778315 521873878 /nfs/dbraw/zinc/87/38/78/521873878.db2.gz WJCRVUOKGBZTIK-NRFANRHFSA-N 0 0 431.923 4.941 50 0 IJAARN COc1cc(/C=C/c2ccc3ccccc3n2)cc(I)c1OC(C)=O ZINC000012379971 521942516 /nfs/dbraw/zinc/94/25/16/521942516.db2.gz LSTGFEYQBXAUBS-VQHVLOKHSA-N 0 0 445.256 4.944 50 0 IJAARN CN(C)[C@@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000022381545 522011862 /nfs/dbraw/zinc/01/18/62/522011862.db2.gz QNSAXLFDWOWIKI-NRFANRHFSA-N 0 0 429.520 4.953 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000012775798 522074066 /nfs/dbraw/zinc/07/40/66/522074066.db2.gz IPNLFBWFQUKIBY-ZDUSSCGKSA-N 0 0 436.986 4.738 50 0 IJAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000012825212 522075706 /nfs/dbraw/zinc/07/57/06/522075706.db2.gz HISIERWTNKSZQQ-ZDUSSCGKSA-N 0 0 438.380 4.959 50 0 IJAARN CC[C@@H](C)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035945494 522097157 /nfs/dbraw/zinc/09/71/57/522097157.db2.gz GDTOVSNUMJKUCS-XXBNENTESA-N 0 0 439.600 4.658 50 0 IJAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1cccc(F)c1 ZINC000036008991 522098230 /nfs/dbraw/zinc/09/82/30/522098230.db2.gz LXRKPXMHQGXRFI-CQSZACIVSA-N 0 0 427.925 4.649 50 0 IJAARN CC[C@@H](C)N1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678240 522109545 /nfs/dbraw/zinc/10/95/45/522109545.db2.gz QRPFDNWGUGONFH-IQGLISFBSA-N 0 0 425.573 4.990 50 0 IJAARN COc1cc(C(=O)Nc2nc3ccc(F)cc3s2)ccc1OCc1c(C)noc1C ZINC000012598691 522163531 /nfs/dbraw/zinc/16/35/31/522163531.db2.gz SNKVLRNVPYRLAP-UHFFFAOYSA-N 0 0 427.457 4.880 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196752 522173445 /nfs/dbraw/zinc/17/34/45/522173445.db2.gz CZGKORXWHBAQKP-XUZZJYLKSA-N 0 0 432.451 4.863 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196552 522174599 /nfs/dbraw/zinc/17/45/99/522174599.db2.gz 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CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000012569404 522498598 /nfs/dbraw/zinc/49/85/98/522498598.db2.gz IQBWCZWDMBCDEC-UHFFFAOYSA-N 0 0 441.325 4.972 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)C(C)C ZINC000035972501 522637467 /nfs/dbraw/zinc/63/74/67/522637467.db2.gz TWLJTDDVBVMEQM-UHFFFAOYSA-N 0 0 439.531 4.997 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CCOC)C(=O)C(C)C ZINC000035975934 522638782 /nfs/dbraw/zinc/63/87/82/522638782.db2.gz ZQUYVECDSBILET-UHFFFAOYSA-N 0 0 439.531 4.997 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1ccc(OC(F)F)c(OC)c1 ZINC000012793351 522662320 /nfs/dbraw/zinc/66/23/20/522662320.db2.gz HFYQCGQYNSNTFE-ZDUSSCGKSA-N 0 0 436.480 4.506 50 0 IJAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)ccc1C ZINC000012696288 522666700 /nfs/dbraw/zinc/66/67/00/522666700.db2.gz FHYTXSRODFGAGW-KRWDZBQOSA-N 0 0 443.544 4.795 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)COc1ccc(F)cc1 ZINC000022064369 522728263 /nfs/dbraw/zinc/72/82/63/522728263.db2.gz AOONAKRYHYPQJX-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN COCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)[C@@H](C)C(C)C ZINC000035947409 522733003 /nfs/dbraw/zinc/73/30/03/522733003.db2.gz CXUKTLSCUUZWJR-KRWDZBQOSA-N 0 0 445.991 4.678 50 0 IJAARN CCc1nnc2c(Oc3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc3ccccc3n12 ZINC000035460991 522795613 /nfs/dbraw/zinc/79/56/13/522795613.db2.gz FDGBYJJMZJBCNL-UHFFFAOYSA-N 0 0 439.475 4.893 50 0 IJAARN CCc1nnc2c(Oc3ccc(NC(=O)c4cccc(OC)c4)cc3)nc3ccccc3n12 ZINC000035460998 522796614 /nfs/dbraw/zinc/79/66/14/522796614.db2.gz DBDZFRANUBSYBB-UHFFFAOYSA-N 0 0 439.475 4.893 50 0 IJAARN COc1cc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000020722432 522966875 /nfs/dbraw/zinc/96/68/75/522966875.db2.gz QTWGMEZNUUPTMK-DEOSSOPVSA-N 0 0 429.451 4.988 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3ccc(Cl)cc3)nc1C)CC2 ZINC000012323499 523030338 /nfs/dbraw/zinc/03/03/38/523030338.db2.gz PAIIZADOVCEYPX-UHFFFAOYSA-N 0 0 428.941 4.988 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)Nc1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036041085 523045923 /nfs/dbraw/zinc/04/59/23/523045923.db2.gz BVHVTYNPUQQIQO-DEOSSOPVSA-N 0 0 445.563 4.933 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(Cc1cccc(F)c1)CC2 ZINC000036040995 523045970 /nfs/dbraw/zinc/04/59/70/523045970.db2.gz NSAKWNWFDKJKEO-DEOSSOPVSA-N 0 0 448.538 4.681 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCc1nc3ccccc3[nH]1)CC2 ZINC000012627602 523051601 /nfs/dbraw/zinc/05/16/01/523051601.db2.gz ITLNJDQVPAHUMO-RUZDIDTESA-N 0 0 447.560 4.749 50 0 IJAARN COc1cc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)NC4CCCC4)c3c2cc1OC ZINC000020996520 523069768 /nfs/dbraw/zinc/06/97/68/523069768.db2.gz ATCAQIRRIGUFGW-UHFFFAOYSA-N 0 0 444.535 4.636 50 0 IJAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)N[C@H](C)c3ccccc3)CC(C)C)no2)cc1 ZINC000035992964 523092012 /nfs/dbraw/zinc/09/20/12/523092012.db2.gz UYWQNUBEXVBLAO-LJQANCHMSA-N 0 0 449.551 4.716 50 0 IJAARN CC(=O)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Sc1ccc(F)cc1 ZINC000003048829 534684226 /nfs/dbraw/zinc/68/42/26/534684226.db2.gz PCKKYGKRJWNYQU-UHFFFAOYSA-N 0 0 449.551 4.898 50 0 IJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)no2)c(OC)c1 ZINC000036001796 523109758 /nfs/dbraw/zinc/10/97/58/523109758.db2.gz UAQHQSBYUDRKPN-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN CCn1c(C(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc2sccc21 ZINC000021522614 523113491 /nfs/dbraw/zinc/11/34/91/523113491.db2.gz MSXQPCOMLNXECS-HXUWFJFHSA-N 0 0 435.593 4.769 50 0 IJAARN CCn1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1C(=O)OC ZINC000036025249 523122119 /nfs/dbraw/zinc/12/21/19/523122119.db2.gz CWICTVOUCFSHRH-INIZCTEOSA-N 0 0 432.948 4.687 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000012909239 523177174 /nfs/dbraw/zinc/17/71/74/523177174.db2.gz WBUMMXZDDMFIPD-UHFFFAOYSA-N 0 0 428.517 4.826 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000012612298 523187372 /nfs/dbraw/zinc/18/73/72/523187372.db2.gz HYSVWBCNMZZPGK-GOSISDBHSA-N 0 0 434.521 4.681 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000015830964 523192080 /nfs/dbraw/zinc/19/20/80/523192080.db2.gz ZGYQVZRQWQAOQX-UHFFFAOYSA-N 0 0 447.878 4.715 50 0 IJAARN CCn1c(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)nnc1-c1ccco1 ZINC000021238384 523242959 /nfs/dbraw/zinc/24/29/59/523242959.db2.gz BRSVUSZKASBFHE-UHFFFAOYSA-N 0 0 434.481 4.864 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)NCc2ccco2)nc2scc(-c3ccccc3)c2c1=O ZINC000012788462 523243200 /nfs/dbraw/zinc/24/32/00/523243200.db2.gz DKJYJQQTHVKWJZ-AWEZNQCLSA-N 0 0 439.562 4.535 50 0 IJAARN CN(Cc1ccc(OC(F)F)cc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012782526 523272086 /nfs/dbraw/zinc/27/20/86/523272086.db2.gz NPEQFWKOWGSAKN-UHFFFAOYSA-N 0 0 427.476 4.885 50 0 IJAARN COc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)cc1OC ZINC000035504161 523274377 /nfs/dbraw/zinc/27/43/77/523274377.db2.gz WWKLHPDCHCHAID-UHFFFAOYSA-N 0 0 427.258 4.573 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035361604 523567312 /nfs/dbraw/zinc/56/73/12/523567312.db2.gz GDDGAZNOOMDCPW-DEOSSOPVSA-N 0 0 433.602 4.964 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c2ccccc12 ZINC000012866154 523620575 /nfs/dbraw/zinc/62/05/75/523620575.db2.gz NZODJOTYWBGCBB-KRWDZBQOSA-N 0 0 434.511 4.717 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccc(C)cc3C)CC2)c2ccccc12 ZINC000012791940 523620776 /nfs/dbraw/zinc/62/07/76/523620776.db2.gz ZAXGUGUWDKHWND-UHFFFAOYSA-N 0 0 444.575 4.976 50 0 IJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000035889795 523710148 /nfs/dbraw/zinc/71/01/48/523710148.db2.gz GSTDHZWKYVCEST-UHFFFAOYSA-N 0 0 434.971 4.939 50 0 IJAARN CCc1c(C)sc2nc(SCc3nc4ccccc4o3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000032570719 523720413 /nfs/dbraw/zinc/72/04/13/523720413.db2.gz AFDRJIREJLHQAE-AWEZNQCLSA-N 0 0 441.578 4.941 50 0 IJAARN COCCN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)=O ZINC000035977633 523738197 /nfs/dbraw/zinc/73/81/97/523738197.db2.gz JNLHJKLMNGLIQE-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000012543277 523758744 /nfs/dbraw/zinc/75/87/44/523758744.db2.gz VMZYVKPTSASLRV-UHFFFAOYSA-N 0 0 427.504 4.722 50 0 IJAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000012653326 523781707 /nfs/dbraw/zinc/78/17/07/523781707.db2.gz FUXODJXZMMRDKU-UHFFFAOYSA-N 0 0 444.531 4.934 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cc2)C12CCCCC2 ZINC000020732745 523809369 /nfs/dbraw/zinc/80/93/69/523809369.db2.gz ZPHFAMLKRMSADM-NRFANRHFSA-N 0 0 426.944 4.867 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022791909 523839599 /nfs/dbraw/zinc/83/95/99/523839599.db2.gz HYXFHTXTIMGOOU-DEOSSOPVSA-N 0 0 435.593 4.563 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1 ZINC000020617460 523840408 /nfs/dbraw/zinc/84/04/08/523840408.db2.gz LWIKWLLVKAXXLR-SGEDCAFJSA-N 0 0 443.503 4.739 50 0 IJAARN CCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)s1 ZINC000017097427 523852437 /nfs/dbraw/zinc/85/24/37/523852437.db2.gz IAGPCAYDRACDMZ-UHFFFAOYSA-N 0 0 431.355 4.761 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3)C(=O)c3ccccc3F)C2)cc1OC ZINC000035835274 523880649 /nfs/dbraw/zinc/88/06/49/523880649.db2.gz NKRSMHOAEKMFSQ-FQEVSTJZSA-N 0 0 448.494 4.679 50 0 IJAARN COc1ccc(CCC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3F)C2)cc1OC ZINC000011911976 523918046 /nfs/dbraw/zinc/91/80/46/523918046.db2.gz KWSREOSIUSCFSE-GOSISDBHSA-N 0 0 437.515 4.572 50 0 IJAARN COc1ccc(CCNC(=O)CSCc2nc(-c3sccc3C)oc2C)cc1OC ZINC000021367965 523959339 /nfs/dbraw/zinc/95/93/39/523959339.db2.gz YUWOXKKISRFRHK-UHFFFAOYSA-N 0 0 446.594 4.629 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000012413311 523961605 /nfs/dbraw/zinc/96/16/05/523961605.db2.gz MEWVNUVJCYXWOW-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000012413310 523961951 /nfs/dbraw/zinc/96/19/51/523961951.db2.gz MEWVNUVJCYXWOW-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 ZINC000015863256 523970813 /nfs/dbraw/zinc/97/08/13/523970813.db2.gz BUUPZUBIGRQHBO-UHFFFAOYSA-N 0 0 445.567 4.600 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020559196 523975345 /nfs/dbraw/zinc/97/53/45/523975345.db2.gz KZWMGPCWZORJFY-OAQYLSRUSA-N 0 0 425.504 4.600 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010039 523996053 /nfs/dbraw/zinc/99/60/53/523996053.db2.gz ZGEMHLWMROVFPN-MEDUHNTESA-N 0 0 441.384 4.713 50 0 IJAARN CCc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1 ZINC000012798195 524059310 /nfs/dbraw/zinc/05/93/10/524059310.db2.gz PGYDHUDFDFHBCI-UHFFFAOYSA-N 0 0 432.476 4.981 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1OC ZINC000012770379 524065707 /nfs/dbraw/zinc/06/57/07/524065707.db2.gz PXHSNYNHTQVNGY-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000021809077 524140749 /nfs/dbraw/zinc/14/07/49/524140749.db2.gz PHUQMMYKGVGSGM-VDABOFBKSA-N 0 0 435.593 4.812 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000015865445 524151368 /nfs/dbraw/zinc/15/13/68/524151368.db2.gz IWXHGBSSZVIFCR-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(C[C@H](C)NC(=O)C(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1OC ZINC000012401815 524152362 /nfs/dbraw/zinc/15/23/62/524152362.db2.gz MLBCOIVRWNHKQS-KRWDZBQOSA-N 0 0 442.515 4.782 50 0 IJAARN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000012881323 524224334 /nfs/dbraw/zinc/22/43/34/524224334.db2.gz DVAZRRGNQSWKQG-UHFFFAOYSA-N 0 0 432.307 4.813 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1-n1cccc1 ZINC000015882524 524226415 /nfs/dbraw/zinc/22/64/15/524226415.db2.gz PYCKSUHKXMVWQI-UHFFFAOYSA-N 0 0 445.957 4.512 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000035447777 524233539 /nfs/dbraw/zinc/23/35/39/524233539.db2.gz JXTUFGOXGOZILH-UHFFFAOYSA-N 0 0 449.942 4.894 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2cccs2)[C@@H](C)C1 ZINC000034813497 524249244 /nfs/dbraw/zinc/24/92/44/524249244.db2.gz DIJNGSZODCPEIT-INIZCTEOSA-N 0 0 433.533 4.787 50 0 IJAARN COc1ccccc1-c1nnc(SCc2nnnn2-c2ccccc2)n1C1CCCCC1 ZINC000009516302 524291253 /nfs/dbraw/zinc/29/12/53/524291253.db2.gz VFFLESGSKNJMBU-UHFFFAOYSA-N 0 0 447.568 4.727 50 0 IJAARN Cc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858574 524321599 /nfs/dbraw/zinc/32/15/99/524321599.db2.gz YDMVZICNSDRRKE-MHZLTWQESA-N 0 0 431.580 4.569 50 0 IJAARN COc1ccccc1C(=O)N1CCN(Cc2nc(-c3cccc4ccccc43)oc2C)CC1 ZINC000020513866 524343343 /nfs/dbraw/zinc/34/33/43/524343343.db2.gz PMJRHGZZJCATHI-UHFFFAOYSA-N 0 0 441.531 4.770 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1 ZINC000035460901 524358433 /nfs/dbraw/zinc/35/84/33/524358433.db2.gz WRGFTSKOOBDDHU-UHFFFAOYSA-N 0 0 425.448 4.639 50 0 IJAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000035912337 524389714 /nfs/dbraw/zinc/38/97/14/524389714.db2.gz KDCJHHALOGIBBU-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(N2C(=S)N[C@H](c3ccc(C)cc3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000012782343 524400541 /nfs/dbraw/zinc/40/05/41/524400541.db2.gz ZJOUBUMVVMZZLU-JOCHJYFZSA-N 0 0 440.565 4.674 50 0 IJAARN COc1ccccc1CCNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000009659752 524420972 /nfs/dbraw/zinc/42/09/72/524420972.db2.gz MXVDTVOIQYHCAD-UHFFFAOYSA-N 0 0 431.532 4.960 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000035535273 524422966 /nfs/dbraw/zinc/42/29/66/524422966.db2.gz OHZPEZCBUNHYRT-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1cccc(CNC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)c1 ZINC000033126821 524426390 /nfs/dbraw/zinc/42/63/90/524426390.db2.gz ZSGYBIFIGJFZQL-UHFFFAOYSA-N 0 0 428.532 4.718 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021808231 524432720 /nfs/dbraw/zinc/43/27/20/524432720.db2.gz JKQIBGOWKFDCOP-VWLOTQADSA-N 0 0 435.593 4.875 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021864666 524434172 /nfs/dbraw/zinc/43/41/72/524434172.db2.gz VNJDYGXUZHMDOO-AREMUKBSSA-N 0 0 433.552 4.634 50 0 IJAARN Cc1cc(C)cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)c1 ZINC000021523320 524466146 /nfs/dbraw/zinc/46/61/46/524466146.db2.gz AUTSXZLCYZSIKS-HSZRJFAPSA-N 0 0 448.592 4.992 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)s2)c1Cl ZINC000012856017 524472885 /nfs/dbraw/zinc/47/28/85/524472885.db2.gz FPFMYEKFYYORRV-UHFFFAOYSA-N 0 0 439.924 4.601 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1Cl ZINC000035398455 524474294 /nfs/dbraw/zinc/47/42/94/524474294.db2.gz OHFQPLFQRDMDIR-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000009669321 524480136 /nfs/dbraw/zinc/48/01/36/524480136.db2.gz SUNSRSNGCPYKPP-RUZDIDTESA-N 0 0 425.488 4.751 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccccc3F)c2c1=O ZINC000035400669 524522840 /nfs/dbraw/zinc/52/28/40/524522840.db2.gz PPOQOVDVBUSDFZ-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000015676207 524535333 /nfs/dbraw/zinc/53/53/33/524535333.db2.gz DHFBUZMZTCPITR-SANMLTNESA-N 0 0 436.600 4.665 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)CC1 ZINC000020988602 524559903 /nfs/dbraw/zinc/55/99/03/524559903.db2.gz PSFPZHRCGOYTEY-XMMPIXPASA-N 0 0 444.510 4.796 50 0 IJAARN Cc1cc(C)n2nc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc(F)cc3)cc2n1 ZINC000011997910 524566368 /nfs/dbraw/zinc/56/63/68/524566368.db2.gz HDRSNUUOCPDEAR-VWLOTQADSA-N 0 0 439.494 4.754 50 0 IJAARN Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(Oc4ccccc4)o2)C3)n1 ZINC000012123050 524575628 /nfs/dbraw/zinc/57/56/28/524575628.db2.gz PCBGCXISFDHDBL-FQEVSTJZSA-N 0 0 441.487 4.879 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccc(F)cc1 ZINC000012879487 524587478 /nfs/dbraw/zinc/58/74/78/524587478.db2.gz ZPVLORKTRMSMAN-NRFANRHFSA-N 0 0 445.454 4.613 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021810578 524587748 /nfs/dbraw/zinc/58/77/48/524587748.db2.gz CTYWEELMQMPOFA-QYBDOPJKSA-N 0 0 433.552 4.701 50 0 IJAARN C[C@@H](CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021860511 524588579 /nfs/dbraw/zinc/58/85/79/524588579.db2.gz SUGRTHDZCJJXAE-PPHZAIPVSA-N 0 0 444.579 4.503 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1Cl ZINC000035398295 524594347 /nfs/dbraw/zinc/59/43/47/524594347.db2.gz BTUQRVUMQNDETK-GOSISDBHSA-N 0 0 436.943 4.969 50 0 IJAARN Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000012625183 524601948 /nfs/dbraw/zinc/60/19/48/524601948.db2.gz DTQJQBDOTJZHFS-UHFFFAOYSA-N 0 0 438.524 4.915 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)SCc2cc(OC)c(Br)cc2OC)cc1 ZINC000012909429 524606513 /nfs/dbraw/zinc/60/65/13/524606513.db2.gz WWLHFKOXTYSRQK-LBPRGKRZSA-N 0 0 440.359 4.735 50 0 IJAARN COc1ccc(NC(=O)[C@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl ZINC000012551279 524608954 /nfs/dbraw/zinc/60/89/54/524608954.db2.gz CUZYYGLWBUJFCS-HSZRJFAPSA-N 0 0 434.927 4.705 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1 ZINC000033126770 524628734 /nfs/dbraw/zinc/62/87/34/524628734.db2.gz YPAJRYDIQIJFMZ-UHFFFAOYSA-N 0 0 430.504 4.741 50 0 IJAARN COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000034675743 524630857 /nfs/dbraw/zinc/63/08/57/524630857.db2.gz XKFAKYKZLPQIQY-UHFFFAOYSA-N 0 0 447.510 4.810 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1C ZINC000033067809 524643674 /nfs/dbraw/zinc/64/36/74/524643674.db2.gz IYEUZVMEKAIEEH-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(c3)NC(=O)CS4)s2)cc1Cl ZINC000022880618 524693598 /nfs/dbraw/zinc/69/35/98/524693598.db2.gz ZWCJZYXGQGSJSD-UHFFFAOYSA-N 0 0 429.954 4.992 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)N[C@@H](C)c3ccccc3)c2=O)cc1 ZINC000033006748 524770803 /nfs/dbraw/zinc/77/08/03/524770803.db2.gz NGIZXQJJNLQRCJ-IBGZPJMESA-N 0 0 443.572 4.723 50 0 IJAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)no2)c1 ZINC000036012900 524790598 /nfs/dbraw/zinc/79/05/98/524790598.db2.gz LEFACZCEHOXFRE-UHFFFAOYSA-N 0 0 444.553 4.514 50 0 IJAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)c1 ZINC000012319658 524808662 /nfs/dbraw/zinc/80/86/62/524808662.db2.gz WEFYFNSPJWRCSE-QFIPXVFZSA-N 0 0 444.531 4.652 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000012888080 524853749 /nfs/dbraw/zinc/85/37/49/524853749.db2.gz RHPKKPYZBXXWMY-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 biogenic IJAARN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NC4CC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717086 524899702 /nfs/dbraw/zinc/89/97/02/524899702.db2.gz UGOLEMFPFBEWEN-BCHFMIIMSA-N 0 0 446.591 4.705 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021865813 524931712 /nfs/dbraw/zinc/93/17/12/524931712.db2.gz KJMJEKBBNXXKSR-MHZLTWQESA-N 0 0 439.515 4.792 50 0 IJAARN COc1ccc(OCc2nnc(SCc3ccc(Br)cc3F)n2C)cc1 ZINC000012599636 524978787 /nfs/dbraw/zinc/97/87/87/524978787.db2.gz FGMHFGLGMLEATK-UHFFFAOYSA-N 0 0 438.322 4.597 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000012419117 525012773 /nfs/dbraw/zinc/01/27/73/525012773.db2.gz XOGCSQMPGBBIPW-HOTGVXAUSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1cccnc1 ZINC000021737145 525026516 /nfs/dbraw/zinc/02/65/16/525026516.db2.gz VLDMGPQTQANIPE-ZHALLVOQSA-N 0 0 435.597 4.623 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000020489309 525026925 /nfs/dbraw/zinc/02/69/25/525026925.db2.gz WZYHGAFULSWZHM-INIZCTEOSA-N 0 0 427.932 4.706 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865255 525047118 /nfs/dbraw/zinc/04/71/18/525047118.db2.gz GRFYQSAOGOHOOM-INIZCTEOSA-N 0 0 446.620 4.964 50 0 IJAARN C[C@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000022796602 525053725 /nfs/dbraw/zinc/05/37/25/525053725.db2.gz ZVJFLTLRDFVZJN-RDPSFJRHSA-N 0 0 440.657 4.627 50 0 IJAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(COc4ccc(C)cc4)n3)c2)cc1 ZINC000033327462 525070992 /nfs/dbraw/zinc/07/09/92/525070992.db2.gz GTJIXIFEMQZXMV-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1NC(C)=O ZINC000012787647 525074950 /nfs/dbraw/zinc/07/49/50/525074950.db2.gz FBTQVLAJNPUTPR-QFIPXVFZSA-N 0 0 432.586 4.627 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1C ZINC000035533516 525083539 /nfs/dbraw/zinc/08/35/39/525083539.db2.gz IIWIOZSXKDRYAJ-ZDUSSCGKSA-N 0 0 427.599 4.670 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1Cl ZINC000021711476 525087745 /nfs/dbraw/zinc/08/77/45/525087745.db2.gz CEGQLOARKRRNHC-UHFFFAOYSA-N 0 0 441.896 4.866 50 0 IJAARN Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1C ZINC000012817313 525098032 /nfs/dbraw/zinc/09/80/32/525098032.db2.gz WKTFOACKTBJDKO-UHFFFAOYSA-N 0 0 428.941 4.939 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c(Br)c1 ZINC000021042891 525100512 /nfs/dbraw/zinc/10/05/12/525100512.db2.gz ZRFPJVMFYIYOGE-UHFFFAOYSA-N 0 0 448.320 4.773 50 0 IJAARN Cc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441903 525102160 /nfs/dbraw/zinc/10/21/60/525102160.db2.gz ZEWXCJSNPPNBAX-UXBLZVDNSA-N 0 0 444.516 4.993 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1F ZINC000033113528 525130363 /nfs/dbraw/zinc/13/03/63/525130363.db2.gz AEUBESYQBIUBCX-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021808385 525134129 /nfs/dbraw/zinc/13/41/29/525134129.db2.gz KQNDRKFPTSJFMS-VWLOTQADSA-N 0 0 435.593 4.875 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561300 525171698 /nfs/dbraw/zinc/17/16/98/525171698.db2.gz QQXMJHIPEQDSLI-JOCHJYFZSA-N 0 0 430.504 4.738 50 0 IJAARN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000010967564 525192554 /nfs/dbraw/zinc/19/25/54/525192554.db2.gz VLSKJPDOYAQFET-KRWDZBQOSA-N 0 0 430.529 4.796 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021809425 525198578 /nfs/dbraw/zinc/19/85/78/525198578.db2.gz SMGNTBHXSRULEK-HSZRJFAPSA-N 0 0 441.984 4.830 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021810464 525198843 /nfs/dbraw/zinc/19/88/43/525198843.db2.gz VOBDIQMIFXGKEA-XMMPIXPASA-N 0 0 439.943 4.751 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccc(F)c1 ZINC000021526641 525201864 /nfs/dbraw/zinc/20/18/64/525201864.db2.gz UZOLGEFTOISLKX-RUZDIDTESA-N 0 0 437.515 4.627 50 0 IJAARN C[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000012402078 525234250 /nfs/dbraw/zinc/23/42/50/525234250.db2.gz IOYKJNDKCHGIMR-AMDXRBSFSA-N 0 0 437.923 4.681 50 0 IJAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1F ZINC000033088399 525256979 /nfs/dbraw/zinc/25/69/79/525256979.db2.gz WJTJCSDHQNDFOF-UHFFFAOYSA-N 0 0 433.340 4.649 50 0 IJAARN C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc2c(c1)OCCO2 ZINC000012681736 525258048 /nfs/dbraw/zinc/25/80/48/525258048.db2.gz ZKZKPKZBGKHBIB-KRWDZBQOSA-N 0 0 445.544 4.922 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N[C@H](c2cccs2)C(C)C)s1 ZINC000032995374 525265425 /nfs/dbraw/zinc/26/54/25/525265425.db2.gz MWGWAPYWSPPXJW-FQEVSTJZSA-N 0 0 442.610 4.997 50 0 IJAARN C[C@]1(Cc2ccccc2)OC(=O)N2CCN3C(=O)O[C@@](C)(Cc4ccccc4)[C@@]3(C)C=C21 ZINC000012402534 525277734 /nfs/dbraw/zinc/27/77/34/525277734.db2.gz CFNIYDDQVPAUMY-CYXNTTPDSA-N 0 0 432.520 4.550 50 0 IJAARN CSCCC(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(C(=O)CC2CCCC2)CC1 ZINC000012328387 525368461 /nfs/dbraw/zinc/36/84/61/525368461.db2.gz UIGWCOPLBZROCR-HSZRJFAPSA-N 0 0 448.648 4.767 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1OC ZINC000012495582 525432727 /nfs/dbraw/zinc/43/27/27/525432727.db2.gz YYVUZJGYXZNHJB-FQRUVTKNSA-N 0 0 444.487 4.717 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC ZINC000020892772 525433289 /nfs/dbraw/zinc/43/32/89/525433289.db2.gz PINSILKJUHKBMA-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1cc(SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)cc1Br ZINC000012927993 525434307 /nfs/dbraw/zinc/43/43/07/525434307.db2.gz VVFUGBVFTZYYSQ-UHFFFAOYSA-N 0 0 433.371 4.689 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000022138103 525438778 /nfs/dbraw/zinc/43/87/78/525438778.db2.gz AJAIALZZYUGLRH-QGZVFWFLSA-N 0 0 433.508 4.535 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000022709167 525441668 /nfs/dbraw/zinc/44/16/68/525441668.db2.gz HJVKSHJYYKZTHY-QMMMGPOBSA-N 0 0 426.687 4.842 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000016047942 525487851 /nfs/dbraw/zinc/48/78/51/525487851.db2.gz NPRSJMYMGQZHRA-UHFFFAOYSA-N 0 0 429.350 4.714 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000012824657 525494484 /nfs/dbraw/zinc/49/44/84/525494484.db2.gz PLNBOFDNULCHHZ-MRXNPFEDSA-N 0 0 434.627 4.662 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1 ZINC000012693753 525499220 /nfs/dbraw/zinc/49/92/20/525499220.db2.gz BXNBVUSVEYWABL-UHFFFAOYSA-N 0 0 431.517 4.621 50 0 IJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Br)cc1 ZINC000035684834 525509533 /nfs/dbraw/zinc/50/95/33/525509533.db2.gz PKMWBYUUJHQHNU-MRXNPFEDSA-N 0 0 425.286 4.793 50 0 IJAARN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(Oc2cnccn2)cc1 ZINC000065474399 525525621 /nfs/dbraw/zinc/52/56/21/525525621.db2.gz GBXFOSIDECRSFZ-UHFFFAOYSA-N 0 0 437.297 4.933 50 0 IJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(C(C)=O)c3)CC1)c1cccn1-2 ZINC000035446837 525551571 /nfs/dbraw/zinc/55/15/71/525551571.db2.gz CWJRXZIIZTZJDO-UHFFFAOYSA-N 0 0 430.508 4.637 50 0 IJAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000012645840 525590844 /nfs/dbraw/zinc/59/08/44/525590844.db2.gz HYUJWRVJBMOVIR-IBGZPJMESA-N 0 0 439.606 4.917 50 0 IJAARN COc1ccc2c(c1)c(C(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)c(C)n2C ZINC000035895474 525599467 /nfs/dbraw/zinc/59/94/67/525599467.db2.gz WJFBFUJMYJDRAA-UHFFFAOYSA-N 0 0 445.485 4.519 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012911329 525605590 /nfs/dbraw/zinc/60/55/90/525605590.db2.gz OMKIJCFPKBLTLN-KRWDZBQOSA-N 0 0 426.513 4.768 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)c(Br)c1 ZINC000012525934 525609032 /nfs/dbraw/zinc/60/90/32/525609032.db2.gz SMSJTFFQESYNBT-UHFFFAOYSA-N 0 0 425.348 4.543 50 0 IJAARN C[C@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016694628 525646166 /nfs/dbraw/zinc/64/61/66/525646166.db2.gz GJOIGDSHXPASSV-HNNXBMFYSA-N 0 0 431.517 4.809 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)c2cc1C ZINC000033005993 525671125 /nfs/dbraw/zinc/67/11/25/525671125.db2.gz VSRJAMCLPALERI-IBGZPJMESA-N 0 0 425.532 4.861 50 0 IJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)CCC3CCCC3)cc(=O)n2o1 ZINC000035378628 525672921 /nfs/dbraw/zinc/67/29/21/525672921.db2.gz MCPMARCVRKORGY-UHFFFAOYSA-N 0 0 429.904 4.737 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000033168746 525674380 /nfs/dbraw/zinc/67/43/80/525674380.db2.gz VJVVGTICGDGCOH-LJQANCHMSA-N 0 0 436.556 4.608 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc(=O)n2o1 ZINC000035429431 525675148 /nfs/dbraw/zinc/67/51/48/525675148.db2.gz SXIIXTFHNYMUFS-QGZVFWFLSA-N 0 0 449.532 4.603 50 0 IJAARN Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NC3CCCCCCC3)c(=O)c12 ZINC000020947376 525676619 /nfs/dbraw/zinc/67/66/19/525676619.db2.gz WJTFJPJWGQCVDT-UHFFFAOYSA-N 0 0 440.975 4.687 50 0 IJAARN COc1cccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036012583 525705063 /nfs/dbraw/zinc/70/50/63/525705063.db2.gz DOPVSXAKBFNFBD-OAQYLSRUSA-N 0 0 426.900 4.825 50 0 IJAARN COc1cccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cccs3)no2)c1 ZINC000036012310 525705470 /nfs/dbraw/zinc/70/54/70/525705470.db2.gz WPHMNAUARPNOCY-UHFFFAOYSA-N 0 0 448.500 4.983 50 0 IJAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3Nc2ccc(C(N)=O)cc2)cc1 ZINC000021799468 525709028 /nfs/dbraw/zinc/70/90/28/525709028.db2.gz LCICEPFVDDVIQU-UHFFFAOYSA-N 0 0 425.414 4.874 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)nc3n2)cc1 ZINC000015868182 525732307 /nfs/dbraw/zinc/73/23/07/525732307.db2.gz JFAPFOCHZZTIFT-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)nn2)cc1 ZINC000035398523 525752756 /nfs/dbraw/zinc/75/27/56/525752756.db2.gz DBPGYIKQHGLYCE-VWLOTQADSA-N 0 0 426.564 4.862 50 0 IJAARN Cc1ccc(-c2cccc3c(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc(C)nc23)cc1 ZINC000021887217 525757802 /nfs/dbraw/zinc/75/78/02/525757802.db2.gz LHAXWUSYJYCAQT-UHFFFAOYSA-N 0 0 439.515 4.710 50 0 IJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NCCc4ccccc4)cc3NC2=O)c1 ZINC000020734322 525766199 /nfs/dbraw/zinc/76/61/99/525766199.db2.gz LISYBGYIAJUPSL-HZHRSRAPSA-N 0 0 430.529 4.753 50 0 biogenic IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1F ZINC000021808346 525792902 /nfs/dbraw/zinc/79/29/02/525792902.db2.gz BMQKLBJWFZMWCE-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000021526533 525793693 /nfs/dbraw/zinc/79/36/93/525793693.db2.gz JASUCMMXTUIWCE-SANMLTNESA-N 0 0 433.552 4.531 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000021527552 525793833 /nfs/dbraw/zinc/79/38/33/525793833.db2.gz XISYQSXOBHLJBT-MHZLTWQESA-N 0 0 429.564 4.895 50 0 IJAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)no2)cc1 ZINC000021356468 525810442 /nfs/dbraw/zinc/81/04/42/525810442.db2.gz SJQOCXVSKJLZMK-QGZVFWFLSA-N 0 0 444.457 4.915 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)n2)cc1 ZINC000035502344 525833956 /nfs/dbraw/zinc/83/39/56/525833956.db2.gz SMIPJJNRELDIIG-XMMPIXPASA-N 0 0 426.564 4.862 50 0 IJAARN Cc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CCc3ccccc3)o2)o1 ZINC000012462520 525844645 /nfs/dbraw/zinc/84/46/45/525844645.db2.gz ZTENFMYMRPQBRP-UHFFFAOYSA-N 0 0 444.516 4.883 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000032936390 525858514 /nfs/dbraw/zinc/85/85/14/525858514.db2.gz LHNYZRTWNQDVSB-DEOSSOPVSA-N 0 0 426.451 4.769 50 0 IJAARN C[C@@H](OC(=O)CCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000024204225 525887705 /nfs/dbraw/zinc/88/77/05/525887705.db2.gz QORQBCFQZPJLKH-MRXNPFEDSA-N 0 0 447.516 4.968 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2=O)cc1C ZINC000033128120 525930569 /nfs/dbraw/zinc/93/05/69/525930569.db2.gz IZSJNLSBHLRWDX-CQSZACIVSA-N 0 0 431.920 4.761 50 0 IJAARN C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000021999867 525933487 /nfs/dbraw/zinc/93/34/87/525933487.db2.gz BBKDWPHJZANJGB-RDTXWAMCSA-N 0 0 428.872 4.565 50 0 in-vitro IJAARN C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009749847 525938913 /nfs/dbraw/zinc/93/89/13/525938913.db2.gz GKOJVWMYCQWSSC-IBGZPJMESA-N 0 0 430.504 4.798 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000013130359 525940103 /nfs/dbraw/zinc/94/01/03/525940103.db2.gz JSUVFJTURXLQFR-UHFFFAOYSA-N 0 0 443.576 4.600 50 0 IJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccccc3F)cc2=O)s1 ZINC000021535955 525941447 /nfs/dbraw/zinc/94/14/47/525941447.db2.gz DDZDCDYQLWIXGS-UHFFFAOYSA-N 0 0 425.510 4.748 50 0 IJAARN Cc1cn2c(nc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)cc2=O)s1 ZINC000021522239 525942036 /nfs/dbraw/zinc/94/20/36/525942036.db2.gz SJKZNQJLXCNRET-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCCC2)cc1 ZINC000020789111 525959106 /nfs/dbraw/zinc/95/91/06/525959106.db2.gz RVTGUEURNPMIDI-CAPFRKAQSA-N 0 0 426.516 4.809 50 0 IJAARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012907820 526002619 /nfs/dbraw/zinc/00/26/19/526002619.db2.gz XVBQSTSDVWOZDQ-OAHLLOKOSA-N 0 0 447.564 4.938 50 0 IJAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012799542 526006462 /nfs/dbraw/zinc/00/64/62/526006462.db2.gz JHSYCDPJYLWCRD-CYBMUJFWSA-N 0 0 441.463 4.536 50 0 IJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850458 526040285 /nfs/dbraw/zinc/04/02/85/526040285.db2.gz LFCHEBWINLNLKS-CYBMUJFWSA-N 0 0 437.853 4.571 50 0 IJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000023504916 526050886 /nfs/dbraw/zinc/05/08/86/526050886.db2.gz CXVRIESRDYEUOY-LBPRGKRZSA-N 0 0 445.516 4.684 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)cc2)C[C@H]2CCCO2)cc1 ZINC000012244330 526074712 /nfs/dbraw/zinc/07/47/12/526074712.db2.gz QWBWASBUTFHYLX-AREMUKBSSA-N 0 0 430.548 4.833 50 0 IJAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCN2CCCC2=O)cc1 ZINC000012005112 526078524 /nfs/dbraw/zinc/07/85/24/526078524.db2.gz INSFDNWOTRHRQS-SANMLTNESA-N 0 0 447.604 4.767 50 0 IJAARN CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000020903062 526108017 /nfs/dbraw/zinc/10/80/17/526108017.db2.gz NUZJPAYDEGPMCJ-RUZDIDTESA-N 0 0 433.577 4.841 50 0 IJAARN COc1cccc(Cn2c3ccc(F)cc3c3ncn(CCc4ccccc4)c(=O)c32)c1 ZINC000035400385 526108086 /nfs/dbraw/zinc/10/80/86/526108086.db2.gz OERPUBJKFBDBMR-UHFFFAOYSA-N 0 0 427.479 4.790 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)c1 ZINC000021527844 526134374 /nfs/dbraw/zinc/13/43/74/526134374.db2.gz YSHNMAWDLLOPFR-UHFFFAOYSA-N 0 0 440.528 4.672 50 0 IJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036043597 526138054 /nfs/dbraw/zinc/13/80/54/526138054.db2.gz IMHLVZAIIRIYAS-RPBOFIJWSA-N 0 0 430.523 4.615 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526429 526141239 /nfs/dbraw/zinc/14/12/39/526141239.db2.gz FLBKNTDBTOMUDH-VWLOTQADSA-N 0 0 435.524 4.501 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)ccc12 ZINC000012755104 526149063 /nfs/dbraw/zinc/14/90/63/526149063.db2.gz BJYQQSGLQVAHKS-GOSISDBHSA-N 0 0 434.473 4.513 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(-c3noc(-c4ccccc4C)n3)cc2OC)c1 ZINC000033013113 526175504 /nfs/dbraw/zinc/17/55/04/526175504.db2.gz SRINSOCPAQCYBN-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)c1 ZINC000012771163 526195025 /nfs/dbraw/zinc/19/50/25/526195025.db2.gz RSZABTRQCYHVSX-LLVKDONJSA-N 0 0 434.315 4.627 50 0 IJAARN COc1cccc(NC(=O)Nc2nnc(COc3ccc(Br)cc3)s2)c1 ZINC000017162575 526195161 /nfs/dbraw/zinc/19/51/61/526195161.db2.gz QTMUUCOUETUQDN-UHFFFAOYSA-N 0 0 435.303 4.532 50 0 IJAARN Cc1cc(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(C)n1Cc1cccs1 ZINC000012687997 526209278 /nfs/dbraw/zinc/20/92/78/526209278.db2.gz FEPQDOBDOJNMFO-UHFFFAOYSA-N 0 0 436.558 4.760 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cccc(Cl)c1C ZINC000035535089 526216181 /nfs/dbraw/zinc/21/61/81/526216181.db2.gz SUAHOXJGFSLICN-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN CSc1ncccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000024480043 526222341 /nfs/dbraw/zinc/22/23/41/526222341.db2.gz UTADZKTYXOUZIG-NRFANRHFSA-N 0 0 430.577 4.913 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc(N5CCOCC5)ccn4)cc3)sc2c1 ZINC000012568305 526242078 /nfs/dbraw/zinc/24/20/78/526242078.db2.gz HMISXQONMMGIMZ-UHFFFAOYSA-N 0 0 430.533 4.756 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(Cl)cc3)cc(=O)n2c1 ZINC000021156918 526250330 /nfs/dbraw/zinc/25/03/30/526250330.db2.gz RIVZISAZEQJYNW-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN O=C(NCCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cc(Cl)ccc1Cl ZINC000013802335 526292477 /nfs/dbraw/zinc/29/24/77/526292477.db2.gz UPQTWHAIECUOEQ-UHFFFAOYSA-N 0 0 435.286 4.568 50 0 IJAARN Cc1nn2c(nc(-c3ccccc3)cc2NCCCN2CCOCC2)c1-c1ccccc1 ZINC000020547360 526310474 /nfs/dbraw/zinc/31/04/74/526310474.db2.gz WVBKMUSODGHDJA-UHFFFAOYSA-N 0 0 427.552 4.506 50 0 IJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCc4ccccc4C)cc3)n2)o1 ZINC000023453371 526315089 /nfs/dbraw/zinc/31/50/89/526315089.db2.gz PNUPSCHZNPJKPZ-UHFFFAOYSA-N 0 0 429.524 4.767 50 0 IJAARN Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cccs3)c2)s1 ZINC000012198327 526317339 /nfs/dbraw/zinc/31/73/39/526317339.db2.gz KMNTZNTUXRGKNX-IBGZPJMESA-N 0 0 440.594 4.527 50 0 IJAARN O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOc3ccccc32)s1 ZINC000020864682 526345547 /nfs/dbraw/zinc/34/55/47/526345547.db2.gz RIBHCXWRVMXPBQ-UHFFFAOYSA-N 0 0 438.593 4.994 50 0 IJAARN O=C(NCCc1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000012744873 526428422 /nfs/dbraw/zinc/42/84/22/526428422.db2.gz PCEVLBPSNUCXQQ-UHFFFAOYSA-N 0 0 427.348 4.882 50 0 IJAARN Cc1csc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n12 ZINC000041077400 526457052 /nfs/dbraw/zinc/45/70/52/526457052.db2.gz XNEDMUYEBRUFFF-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1noc(C)c1CCNc1nc(-c2nnc(-c3ccc(C)cc3)o2)nc2ccccc21 ZINC000035560915 526498202 /nfs/dbraw/zinc/49/82/02/526498202.db2.gz ABUZMUBLJSFXOK-UHFFFAOYSA-N 0 0 426.480 4.915 50 0 IJAARN Cc1nc(-c2ccc(Br)cc2)nn1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000089718047 526563738 /nfs/dbraw/zinc/56/37/38/526563738.db2.gz JNQHAXQKROHDCA-UHFFFAOYSA-N 0 0 439.235 4.674 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000035454778 526575255 /nfs/dbraw/zinc/57/52/55/526575255.db2.gz HCBVTVMPTYYXTC-INIZCTEOSA-N 0 0 443.588 4.758 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000012099726 526576429 /nfs/dbraw/zinc/57/64/29/526576429.db2.gz IOLNHGJUTJMMLZ-NAKRPHOHSA-N 0 0 441.575 4.960 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cs1 ZINC000021840970 526580375 /nfs/dbraw/zinc/58/03/75/526580375.db2.gz LTSVBSMHIFFADN-UHFFFAOYSA-N 0 0 448.544 4.832 50 0 IJAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015591358 526593573 /nfs/dbraw/zinc/59/35/73/526593573.db2.gz NKOKCQRSZSIRQM-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nnc(SC(F)F)s1 ZINC000024695126 526598511 /nfs/dbraw/zinc/59/85/11/526598511.db2.gz WBMLLZVJMIBNPM-UHFFFAOYSA-N 0 0 449.504 4.748 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000012901344 526603163 /nfs/dbraw/zinc/60/31/63/526603163.db2.gz XCBASXIKNCJBFD-UHFFFAOYSA-N 0 0 444.354 4.558 50 0 IJAARN O=C(NCc1cc2ccccc2s1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012711630 526645297 /nfs/dbraw/zinc/64/52/97/526645297.db2.gz UUWFBVXFOBDERZ-QGZVFWFLSA-N 0 0 446.494 4.975 50 0 IJAARN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000012887493 526650197 /nfs/dbraw/zinc/65/01/97/526650197.db2.gz UTQIYVAXUZKGSW-HIFRSBDPSA-N 0 0 429.303 4.675 50 0 biogenic IJAARN O=C(CCc1nc2ccccc2s1)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012716687 526655593 /nfs/dbraw/zinc/65/55/93/526655593.db2.gz NLPPEOVUTQFKHM-SFHVURJKSA-N 0 0 438.503 4.887 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271765 526661291 /nfs/dbraw/zinc/66/12/91/526661291.db2.gz ZNBKPBAFBGWFRA-UHFFFAOYSA-N 0 0 449.795 4.533 50 0 IJAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCC1(c2ccccc2)CCCC1 ZINC000012386245 526663861 /nfs/dbraw/zinc/66/38/61/526663861.db2.gz YLSCNZCPPWEHFS-UHFFFAOYSA-N 0 0 442.563 4.897 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000021492906 526685787 /nfs/dbraw/zinc/68/57/87/526685787.db2.gz LKIAXASDLQLKKU-JOCHJYFZSA-N 0 0 429.501 4.500 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000021492904 526686055 /nfs/dbraw/zinc/68/60/55/526686055.db2.gz LKIAXASDLQLKKU-QFIPXVFZSA-N 0 0 429.501 4.500 50 0 IJAARN Cc1oc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000021873318 526728832 /nfs/dbraw/zinc/72/88/32/526728832.db2.gz CCZIQPWDUDYGDX-UHFFFAOYSA-N 0 0 449.576 4.588 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3cccc(F)c3)no2)c1C ZINC000033296861 526731449 /nfs/dbraw/zinc/73/14/49/526731449.db2.gz OQUXSOQBUHGVAU-UHFFFAOYSA-N 0 0 430.443 4.763 50 0 IJAARN O=C(NCc1ccccc1)c1cc2ccccc2cc1OC[C@H](O)COc1ccccc1 ZINC000012929096 526737317 /nfs/dbraw/zinc/73/73/17/526737317.db2.gz SVSFNKLXGAMVAO-HSZRJFAPSA-N 0 0 427.500 4.589 50 0 IJAARN Cc1oc2cc(OCCN3C[C@@H](C)O[C@H](C)C3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000020591000 526779474 /nfs/dbraw/zinc/77/94/74/526779474.db2.gz CPEVVISAEVIBNR-HZPDHXFCSA-N 0 0 427.928 4.910 50 0 IJAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000013128316 526798247 /nfs/dbraw/zinc/79/82/47/526798247.db2.gz SFGDKDSOZXNWSR-ZDUSSCGKSA-N 0 0 425.539 4.626 50 0 IJAARN O=C(c1ccccc1Br)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399458 526799288 /nfs/dbraw/zinc/79/92/88/526799288.db2.gz SANVPNLLJPHMQR-UHFFFAOYSA-N 0 0 440.316 4.936 50 0 biogenic IJAARN O=C(c1ccco1)N1CC[C@H]2[C@H](CCC(=O)N2CC(c2ccccc2)c2ccccc2)C1 ZINC000012001610 526831774 /nfs/dbraw/zinc/83/17/74/526831774.db2.gz PGJAFEJQHKZQFS-VWNXMTODSA-N 0 0 428.532 4.565 50 0 IJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012855009 526873517 /nfs/dbraw/zinc/87/35/17/526873517.db2.gz GFJIDAOXRPCOOE-OXQOHEQNSA-N 0 0 428.554 4.707 50 0 IJAARN Cc1sc(NC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)nc1-c1ccc(F)c(F)c1 ZINC000012760227 526879722 /nfs/dbraw/zinc/87/97/22/526879722.db2.gz LZXBVWKDOYZJJP-LBPRGKRZSA-N 0 0 443.475 4.539 50 0 IJAARN O=C(COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)NCc1ccco1 ZINC000020854203 526909327 /nfs/dbraw/zinc/90/93/27/526909327.db2.gz HYNQYBWUYBFSMF-UHFFFAOYSA-N 0 0 438.530 4.534 50 0 IJAARN O=C1C2=C(CN1CCC1=CCCCC1)NC(=O)N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000012879321 526958716 /nfs/dbraw/zinc/95/87/16/526958716.db2.gz OVFGHJSILPWOMJ-VWLOTQADSA-N 0 0 443.547 4.606 50 0 IJAARN O=C(COc1ccc(F)cc1Br)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000012925372 526960008 /nfs/dbraw/zinc/96/00/08/526960008.db2.gz IPFDNKDLIYSEII-UHFFFAOYSA-N 0 0 443.272 4.858 50 0 IJAARN O=C(COc1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012909190 526974956 /nfs/dbraw/zinc/97/49/56/526974956.db2.gz UTZCMFOMJLKPDI-AWEZNQCLSA-N 0 0 431.355 4.844 50 0 IJAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000012527414 526978146 /nfs/dbraw/zinc/97/81/46/526978146.db2.gz BPWPFRJQESTWEA-UHFFFAOYSA-N 0 0 426.856 4.706 50 0 IJAARN O=C(COc1ccccc1)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1 ZINC000033320638 526986040 /nfs/dbraw/zinc/98/60/40/526986040.db2.gz VZVSCNJXSMFBQD-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000008741764 527016086 /nfs/dbraw/zinc/01/60/86/527016086.db2.gz HKUHKRJFLLZKRF-CVDCTZTESA-N 0 0 439.968 4.946 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccc(F)cc1 ZINC000012375514 527016830 /nfs/dbraw/zinc/01/68/30/527016830.db2.gz CLPVCGRHJNNNMO-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(Cl)ccc3s1)CCCC2 ZINC000012700954 527021185 /nfs/dbraw/zinc/02/11/85/527021185.db2.gz WXKPBGODWNULQE-UHFFFAOYSA-N 0 0 437.999 4.720 50 0 IJAARN O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784898 527031315 /nfs/dbraw/zinc/03/13/15/527031315.db2.gz XFXKJWJHPOJMSP-CYBMUJFWSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@H](c2ccccc2)Cc2[nH]c(=O)c(-c3nc(-c4ccc5c(c4)OCO5)cs3)cc21 ZINC000021365765 527032569 /nfs/dbraw/zinc/03/25/69/527032569.db2.gz AKKWGYXGQJJTCL-MRXNPFEDSA-N 0 0 442.496 4.807 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cc2ccccc2o1 ZINC000015018972 527083421 /nfs/dbraw/zinc/08/34/21/527083421.db2.gz KALZTMBTIABWNG-UHFFFAOYSA-N 0 0 443.326 4.722 50 0 IJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012891548 527099611 /nfs/dbraw/zinc/09/96/11/527099611.db2.gz MBNDKKCSTYRLBC-JOCHJYFZSA-N 0 0 448.567 4.697 50 0 IJAARN Cc1nc2cc(NC(=O)C(C)C)cc(C(=O)N(C)Cc3ccco3)c2n1Cc1ccccc1 ZINC000012056806 527123588 /nfs/dbraw/zinc/12/35/88/527123588.db2.gz CAGNLTYQXCXGFG-UHFFFAOYSA-N 0 0 444.535 4.853 50 0 IJAARN O=C(Nc1cc(F)ccc1F)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104110 527126177 /nfs/dbraw/zinc/12/61/77/527126177.db2.gz RDNOIZFLYCIARN-UHFFFAOYSA-N 0 0 439.441 4.649 50 0 IJAARN O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2OC(F)F)N1C[C@@H]1CCCO1 ZINC000012597039 527134652 /nfs/dbraw/zinc/13/46/52/527134652.db2.gz OGTSDHXAZCRJNE-UGSOOPFHSA-N 0 0 440.393 4.635 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596982 527178706 /nfs/dbraw/zinc/17/87/06/527178706.db2.gz UPTYYRMBMULDKM-CQSZACIVSA-N 0 0 426.860 4.530 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 ZINC000035512016 527183650 /nfs/dbraw/zinc/18/36/50/527183650.db2.gz STKPNWCZEZXALF-AWEZNQCLSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021007152 527236354 /nfs/dbraw/zinc/23/63/54/527236354.db2.gz JBNNEZYGAXVWNT-KRWDZBQOSA-N 0 0 441.578 4.531 50 0 IJAARN O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)c1cc(C(F)(F)F)ccc1Cl ZINC000012557654 527240779 /nfs/dbraw/zinc/24/07/79/527240779.db2.gz VRIXWDGEULGIPJ-GOSISDBHSA-N 0 0 426.847 4.822 50 0 IJAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977739 527243240 /nfs/dbraw/zinc/24/32/40/527243240.db2.gz ADSPKGJDNDMYAF-ZDUSSCGKSA-N 0 0 428.457 4.778 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000009253842 527254181 /nfs/dbraw/zinc/25/41/81/527254181.db2.gz OCZCIALJMHXGCN-UHFFFAOYSA-N 0 0 435.549 4.539 50 0 IJAARN O=S(=O)(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc(F)c(F)c1 ZINC000012545933 527262187 /nfs/dbraw/zinc/26/21/87/527262187.db2.gz KBQBPLKWXRVJEH-UHFFFAOYSA-N 0 0 431.338 4.939 50 0 IJAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399255 527270350 /nfs/dbraw/zinc/27/03/50/527270350.db2.gz IYIQMIJZZCHKIV-UHFFFAOYSA-N 0 0 448.375 4.890 50 0 biogenic IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000021939897 527271732 /nfs/dbraw/zinc/27/17/32/527271732.db2.gz RYVWINDVZQHMFB-AWEZNQCLSA-N 0 0 438.336 4.612 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000036006867 527281627 /nfs/dbraw/zinc/28/16/27/527281627.db2.gz DDSZMGFUGNXOLF-UHFFFAOYSA-N 0 0 434.605 4.873 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000034733992 527283724 /nfs/dbraw/zinc/28/37/24/527283724.db2.gz ZWBTZQFGZJBFSM-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610967 527285079 /nfs/dbraw/zinc/28/50/79/527285079.db2.gz NHHBSYZOHXABHW-UHFFFAOYSA-N 0 0 437.297 4.796 50 0 IJAARN O=S(=O)(c1nc(-c2cccc(Br)c2)oc1N1CCCCC1)c1ccccc1 ZINC000020807037 527295760 /nfs/dbraw/zinc/29/57/60/527295760.db2.gz GGYYNWONDDEDDQ-UHFFFAOYSA-N 0 0 447.354 4.927 50 0 IJAARN O=C(Cc1cccs1)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000035924471 527304364 /nfs/dbraw/zinc/30/43/64/527304364.db2.gz ZVDUGTVNHCYDGQ-UHFFFAOYSA-N 0 0 443.497 4.775 50 0 IJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc2c(nc3sccn23)s1 ZINC000022739428 527317182 /nfs/dbraw/zinc/31/71/82/527317182.db2.gz QLDMNXMVFLLTTH-UHFFFAOYSA-N 0 0 434.550 4.848 50 0 IJAARN O=C(Cc1cnc(-c2ccccc2F)s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012323349 527322521 /nfs/dbraw/zinc/32/25/21/527322521.db2.gz KJIIYTJBWXBCEV-UHFFFAOYSA-N 0 0 430.932 4.655 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1(c2ccccc2F)CCCC1 ZINC000012589140 527371544 /nfs/dbraw/zinc/37/15/44/527371544.db2.gz GJRHRMFPRGTFIM-UHFFFAOYSA-N 0 0 444.572 4.841 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000009669847 527392214 /nfs/dbraw/zinc/39/22/14/527392214.db2.gz FBPQNUGGUJCWKQ-HXUWFJFHSA-N 0 0 434.565 4.904 50 0 IJAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000021792013 527403259 /nfs/dbraw/zinc/40/32/59/527403259.db2.gz LXURVZPXVJKJHT-GOSISDBHSA-N 0 0 430.508 4.523 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000012376411 527409290 /nfs/dbraw/zinc/40/92/90/527409290.db2.gz HRAYZUDICTWMIJ-UHFFFAOYSA-N 0 0 433.939 4.550 50 0 IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1ccccc1)nc2-c1ccc(F)cc1 ZINC000035930129 527437474 /nfs/dbraw/zinc/43/74/74/527437474.db2.gz UISNQXWBFGKNCQ-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]1 ZINC000012415029 527473893 /nfs/dbraw/zinc/47/38/93/527473893.db2.gz LHEQNMZRONDORT-UHFFFAOYSA-N 0 0 430.411 4.798 50 0 aggregator IJAARN O=c1cc(CSc2nnc(-c3cccs3)o2)nc2sc(C3CCCCC3)nn21 ZINC000021524465 527481021 /nfs/dbraw/zinc/48/10/21/527481021.db2.gz DTJMJBJRFOJTQJ-UHFFFAOYSA-N 0 0 431.568 4.603 50 0 IJAARN O=C(NC1CC1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1 ZINC000020532333 527494450 /nfs/dbraw/zinc/49/44/50/527494450.db2.gz DHOOCGYCYTYCNA-UHFFFAOYSA-N 0 0 432.524 4.803 50 0 IJAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2cccs2)nc2ccccc21 ZINC000012696769 527508548 /nfs/dbraw/zinc/50/85/48/527508548.db2.gz HXBBKIFFMHQKRU-UHFFFAOYSA-N 0 0 436.562 4.504 50 0 IJAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000012829115 527511038 /nfs/dbraw/zinc/51/10/38/527511038.db2.gz JPDONDZWXRBFKS-UHFFFAOYSA-N 0 0 445.541 4.604 50 0 IJAARN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523317 527514272 /nfs/dbraw/zinc/51/42/72/527514272.db2.gz NHCODYVGEYNQHK-OAQYLSRUSA-N 0 0 438.528 4.514 50 0 IJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3c(F)cc(F)cc3Br)sc21 ZINC000020606989 527550660 /nfs/dbraw/zinc/55/06/60/527550660.db2.gz QENZWYLZTCOKTK-UHFFFAOYSA-N 0 0 440.191 4.947 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3cccc(F)c3)c1)CC(=O)N2 ZINC000020732347 527572450 /nfs/dbraw/zinc/57/24/50/527572450.db2.gz DNZLVJNIOSXHAO-FQEVSTJZSA-N 0 0 429.455 4.812 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012683674 527616168 /nfs/dbraw/zinc/61/61/68/527616168.db2.gz RZYHDXGIXPJVKU-NTCAYCPXSA-N 0 0 446.591 4.920 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(F)ccc1F ZINC000012194623 527618496 /nfs/dbraw/zinc/61/84/96/527618496.db2.gz GVDLIUOLAXIVDK-AREMUKBSSA-N 0 0 448.517 4.903 50 0 IJAARN O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000022807910 527620427 /nfs/dbraw/zinc/62/04/27/527620427.db2.gz DQRWOPQUKOICNZ-VQHVLOKHSA-N 0 0 433.464 4.806 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000012539253 527649618 /nfs/dbraw/zinc/64/96/18/527649618.db2.gz UYSHJVIWKRESGA-SFHVURJKSA-N 0 0 433.581 4.749 50 0 IJAARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606874 527696290 /nfs/dbraw/zinc/69/62/90/527696290.db2.gz CEAAVKNONPRIJW-LLVKDONJSA-N 0 0 433.459 4.639 50 0 IJAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncnc1N1CCOCC1 ZINC000002315683 534943447 /nfs/dbraw/zinc/94/34/47/534943447.db2.gz QBQNUHSCUYDMLX-UHFFFAOYSA-N 0 0 432.549 4.594 50 0 IJAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2cccnc2)o1 ZINC000009171502 535431286 /nfs/dbraw/zinc/43/12/86/535431286.db2.gz RZIIFTMFGLTWNX-UHFFFAOYSA-N 0 0 436.537 4.851 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000010059737 536548507 /nfs/dbraw/zinc/54/85/07/536548507.db2.gz HBABSQUZFHBEOJ-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c[nH]nc2-c2ccc(C)o2)c(OC)c1 ZINC000010950761 536664863 /nfs/dbraw/zinc/66/48/63/536664863.db2.gz MWTRFHDIKZXVCY-QHCPKHFHSA-N 0 0 430.464 4.766 50 0 IJAARN COCc1c2ccccc2oc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009583579 536696047 /nfs/dbraw/zinc/69/60/47/536696047.db2.gz COLFSCJYAQBNHD-UHFFFAOYSA-N 0 0 434.414 4.687 50 0 IJAARN COc1ccc([C@@H]2Nc3c(cc(OC)c(OC)c3OC)C(=O)N2c2ccc(C)cc2)cc1 ZINC000002293639 536894194 /nfs/dbraw/zinc/89/41/94/536894194.db2.gz DNDKYXXYVRCVEG-XMMPIXPASA-N 0 0 434.492 4.801 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1 ZINC000009129217 555509676 /nfs/dbraw/zinc/50/96/76/555509676.db2.gz XTZGKEDJURFPQU-UHFFFAOYSA-N 0 0 449.488 4.578 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c(Cl)cc12 ZINC000000627864 555513393 /nfs/dbraw/zinc/51/33/93/555513393.db2.gz CKKVTZQUCWJJQV-NRFANRHFSA-N 0 0 443.883 4.611 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 ZINC000000627946 555513490 /nfs/dbraw/zinc/51/34/90/555513490.db2.gz QNVUMTYNSJCVCQ-UHFFFAOYSA-N 0 0 438.549 4.612 50 0 IJAARN COc1ccc(CCNC(=O)[C@@H]2CC2(c2ccccc2C)c2ccccc2C)cc1OC ZINC000000635593 555516720 /nfs/dbraw/zinc/51/67/20/555516720.db2.gz MCFNYBYPWHDVPO-DEOSSOPVSA-N 0 0 429.560 4.986 50 0 IJAARN O=C1N(Cl)C2(c3ccccc3)N(Cl)C(=O)N(Cl)C2(c2ccccc2)N1Cl ZINC000000640949 555518370 /nfs/dbraw/zinc/51/83/70/555518370.db2.gz FJQZXCPWAGYPSD-UHFFFAOYSA-N 0 0 432.094 4.783 50 0 in-vitro IJAARN Cc1sc2nc(SCC(=O)c3cccs3)n(-c3cc(C)ccn3)c(=O)c2c1C ZINC000000642585 555519042 /nfs/dbraw/zinc/51/90/42/555519042.db2.gz QFYFBQZVTSLAOT-UHFFFAOYSA-N 0 0 427.576 4.804 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000000645620 555520398 /nfs/dbraw/zinc/52/03/98/555520398.db2.gz OFUIAVRUWLKOOD-UHFFFAOYSA-N 0 0 447.484 4.579 50 0 IJAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1OC ZINC000000648114 555521589 /nfs/dbraw/zinc/52/15/89/555521589.db2.gz XAVRGPIGLZVXJH-AWEZNQCLSA-N 0 0 431.554 4.637 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1 ZINC000000649344 555522154 /nfs/dbraw/zinc/52/21/54/555522154.db2.gz YJSJYJHRYRTTSC-UHFFFAOYSA-N 0 0 448.548 4.677 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Cl)cc1 ZINC000000651713 555522927 /nfs/dbraw/zinc/52/29/27/555522927.db2.gz BXJSPBSOGHNSCO-OAQYLSRUSA-N 0 0 437.952 4.933 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc(C(F)(F)F)nn1C)CCCCC2 ZINC000000659829 555526413 /nfs/dbraw/zinc/52/64/13/555526413.db2.gz LQAOTALGWLIYRU-UHFFFAOYSA-N 0 0 429.464 4.587 50 0 IJAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccc(F)c(F)c1 ZINC000000661458 555527035 /nfs/dbraw/zinc/52/70/35/555527035.db2.gz SNFLWTPFAPPSKJ-UHFFFAOYSA-N 0 0 425.416 4.805 50 0 IJAARN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000666093 555528606 /nfs/dbraw/zinc/52/86/06/555528606.db2.gz AQMPGXYZXMZQRP-PMACEKPBSA-N 0 0 436.577 4.536 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)c1 ZINC000000670111 555530425 /nfs/dbraw/zinc/53/04/25/555530425.db2.gz NXZPBIFLRJVMDJ-KRWDZBQOSA-N 0 0 427.456 4.532 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)c1 ZINC000000673981 555532565 /nfs/dbraw/zinc/53/25/65/555532565.db2.gz UEJMYYPUMYVQFN-KBXCAEBGSA-N 0 0 434.393 4.949 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000000675222 555534088 /nfs/dbraw/zinc/53/40/88/555534088.db2.gz PNKRDTSGVHXMLS-UHFFFAOYSA-N 0 0 438.549 4.684 50 0 IJAARN O=C(c1ccc(COc2ccc(I)cc2)o1)N1CCc2ccccc21 ZINC000000679889 555537171 /nfs/dbraw/zinc/53/71/71/555537171.db2.gz NARMTRYGNKFSNQ-UHFFFAOYSA-N 0 0 445.256 4.666 50 0 IJAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000000687563 555540759 /nfs/dbraw/zinc/54/07/59/555540759.db2.gz ZMZPCDKUFVFWOC-ZDUSSCGKSA-N 0 0 432.343 4.693 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(SC)c1 ZINC000000687604 555541036 /nfs/dbraw/zinc/54/10/36/555541036.db2.gz OSCJRUPRYJSQNY-UHFFFAOYSA-N 0 0 428.583 4.638 50 0 IJAARN C[C@H]1CCCN(C(=O)/C(=C/c2cccc(F)c2)NC(=O)c2ccccc2Br)C1 ZINC000000688962 555541374 /nfs/dbraw/zinc/54/13/74/555541374.db2.gz NZXDZMSEFOTWRW-HYTQYMIGSA-N 0 0 445.332 4.618 50 0 IJAARN COc1cc(NC(=O)CSc2ccc(C)cc2)ccc1NC(=O)COc1ccccc1 ZINC000000693024 555542368 /nfs/dbraw/zinc/54/23/68/555542368.db2.gz VOEGLVYPILNIIX-UHFFFAOYSA-N 0 0 436.533 4.752 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2OC)n1 ZINC000000695610 555542657 /nfs/dbraw/zinc/54/26/57/555542657.db2.gz PRPGFMGMZWQAKT-UHFFFAOYSA-N 0 0 446.290 4.910 50 0 IJAARN CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC)c1c2-c1ccc(CC)cc1 ZINC000000702462 555543308 /nfs/dbraw/zinc/54/33/08/555543308.db2.gz PDNITHCFOFRUDR-UHFFFAOYSA-N 0 0 436.464 4.926 50 0 IJAARN CCOC(=O)c1cc(Oc2ncnc3sc4c(c32)CCCC4)cc(C(=O)OCC)c1 ZINC000000710219 555547143 /nfs/dbraw/zinc/54/71/43/555547143.db2.gz MQGOYUQQJIMZEN-UHFFFAOYSA-N 0 0 426.494 4.716 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccccc1F ZINC000000714995 555548226 /nfs/dbraw/zinc/54/82/26/555548226.db2.gz VTXFWRLAQJCNTM-UHFFFAOYSA-N 0 0 426.469 4.877 50 0 IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(-c2ccc(Cl)cc2Cl)co1 ZINC000000717841 555549164 /nfs/dbraw/zinc/54/91/64/555549164.db2.gz LGIDREXCUSQVSF-UHFFFAOYSA-N 0 0 436.291 4.834 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2ccccc2C(C)(C)C)c(C(=O)OCC)c1C ZINC000000729767 555552560 /nfs/dbraw/zinc/55/25/60/555552560.db2.gz FXGVSMGOVZQNHG-UHFFFAOYSA-N 0 0 447.553 4.725 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000000738597 555553253 /nfs/dbraw/zinc/55/32/53/555553253.db2.gz MPFWVVVQQDUMSN-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN CC[C@H](C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000000752070 555553583 /nfs/dbraw/zinc/55/35/83/555553583.db2.gz DYKONZZRQXIHSG-LBPRGKRZSA-N 0 0 442.147 4.789 50 0 IJAARN Cc1sc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2c1C ZINC000000755287 555553832 /nfs/dbraw/zinc/55/38/32/555553832.db2.gz PDHZMHCQXBORBO-UHFFFAOYSA-N 0 0 427.595 4.605 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1OC ZINC000000798300 555558639 /nfs/dbraw/zinc/55/86/39/555558639.db2.gz WQKCPQPXRYCSEJ-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000000832422 555566676 /nfs/dbraw/zinc/56/66/76/555566676.db2.gz YNBFXJVJJMGCHD-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN O=C(NCc1ccccc1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000844920 555568992 /nfs/dbraw/zinc/56/89/92/555568992.db2.gz FMIUINNHDZQQJE-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1c2c(sc1NC(=O)c1cccnc1)CCC2 ZINC000000871186 555575210 /nfs/dbraw/zinc/57/52/10/555575210.db2.gz LWTZZAJQEPYGMK-UHFFFAOYSA-N 0 0 442.338 4.899 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000000877962 555576792 /nfs/dbraw/zinc/57/67/92/555576792.db2.gz NUXYIDGCECHMLU-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(I)c1 ZINC000000936144 555585970 /nfs/dbraw/zinc/58/59/70/555585970.db2.gz XTXWNKSEGLLHQH-UHFFFAOYSA-N 0 0 439.256 4.858 50 0 IJAARN COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000000950160 555588811 /nfs/dbraw/zinc/58/88/11/555588811.db2.gz IDBHWRUSWYXQDS-VIFPVBQESA-N 0 0 443.308 4.688 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000951417 555589193 /nfs/dbraw/zinc/58/91/93/555589193.db2.gz WWZWHHOJQUVZCA-QHCPKHFHSA-N 0 0 426.516 4.657 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)Nc1ccccc1 ZINC000000952360 555589425 /nfs/dbraw/zinc/58/94/25/555589425.db2.gz OPLOTRDTSJFVSR-UHFFFAOYSA-N 0 0 440.322 4.526 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000952959 555589735 /nfs/dbraw/zinc/58/97/35/555589735.db2.gz CJNUIIAHDZVNBM-UHFFFAOYSA-N 0 0 435.530 4.876 50 0 IJAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(Oc2ccc(OC)cc2)c3=O)cc1 ZINC000000957163 555590608 /nfs/dbraw/zinc/59/06/08/555590608.db2.gz KFRHIEPWLSTKLU-UHFFFAOYSA-N 0 0 432.428 4.960 50 0 biogenic IJAARN COc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc(OC)c1OC ZINC000000959507 555590963 /nfs/dbraw/zinc/59/09/63/555590963.db2.gz CXHNTEWEFWUFLI-UHFFFAOYSA-N 0 0 435.476 4.801 50 0 IJAARN O=C(COC(=O)c1ccc(Br)cc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000992904 555597149 /nfs/dbraw/zinc/59/71/49/555597149.db2.gz HJDZTYMUAMBKTJ-UHFFFAOYSA-N 0 0 439.261 4.708 50 0 IJAARN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccccc4)CC3=O)cc2)cc1C ZINC000000993358 555597712 /nfs/dbraw/zinc/59/77/12/555597712.db2.gz FUXWADXMNCLINS-NRFANRHFSA-N 0 0 443.499 4.875 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000000995357 555598302 /nfs/dbraw/zinc/59/83/02/555598302.db2.gz USRYYCHCLHNSLS-JTQLQIEISA-N 0 0 427.353 4.829 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000000995634 555598417 /nfs/dbraw/zinc/59/84/17/555598417.db2.gz YPRUJQAKQPGJSV-WGPYJDKQSA-N 0 0 440.565 4.769 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000000998690 555599546 /nfs/dbraw/zinc/59/95/46/555599546.db2.gz IARCXXDYKUQNOI-AWEZNQCLSA-N 0 0 438.549 4.747 50 0 IJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000000998841 555599563 /nfs/dbraw/zinc/59/95/63/555599563.db2.gz VWQPDIKQUFJNAA-UYAOXDASSA-N 0 0 428.458 4.824 50 0 IJAARN Cc1cc(O)ccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000001017054 555602829 /nfs/dbraw/zinc/60/28/29/555602829.db2.gz SGQAQKIIQXKUPE-SNVBAGLBSA-N 0 0 429.108 4.632 50 0 IJAARN S=C(Nc1ccc(Br)cc1)Nc1ccc(I)cc1 ZINC000001021551 555603607 /nfs/dbraw/zinc/60/36/07/555603607.db2.gz MVEIPMJXQFAWQS-UHFFFAOYSA-N 0 0 433.112 4.863 50 0 IJAARN NS(=O)(=O)c1cccc(-c2ccc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)c1 ZINC000001032665 555606601 /nfs/dbraw/zinc/60/66/01/555606601.db2.gz YOPUMWAZEOEHNZ-XMMPIXPASA-N 0 0 442.500 4.583 50 0 IJAARN O=C(Cn1c2sc(-c3ccccc3)cc2c(=O)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000001036429 555608475 /nfs/dbraw/zinc/60/84/75/555608475.db2.gz YTUZAPQZJRELEP-UHFFFAOYSA-N 0 0 438.508 4.764 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Br ZINC000001053220 555613909 /nfs/dbraw/zinc/61/39/09/555613909.db2.gz HTPGPTFCUMPEOX-UHFFFAOYSA-N 0 0 445.357 4.838 50 0 IJAARN O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 ZINC000001056299 555614619 /nfs/dbraw/zinc/61/46/19/555614619.db2.gz QFTCGZRQCUXZCD-UHFFFAOYSA-N 0 0 432.863 4.629 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc2c[nH]nc2c1 ZINC000001058124 555615098 /nfs/dbraw/zinc/61/50/98/555615098.db2.gz XVXQKRCQQCWFAM-UHFFFAOYSA-N 0 0 444.495 4.681 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 ZINC000001058113 555615120 /nfs/dbraw/zinc/61/51/20/555615120.db2.gz USCQYPZCXAXOQJ-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)NCc1ccco1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001059193 555615824 /nfs/dbraw/zinc/61/58/24/555615824.db2.gz VVOAIUJMJQAMAG-UHFFFAOYSA-N 0 0 436.895 4.752 50 0 IJAARN Cc1nnc2sc(-c3cccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000001067122 555618954 /nfs/dbraw/zinc/61/89/54/555618954.db2.gz NUOKAHQXSMUEOS-JTQLQIEISA-N 0 0 448.335 4.874 50 0 IJAARN O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(F)cc1 ZINC000001096053 555627764 /nfs/dbraw/zinc/62/77/64/555627764.db2.gz XEIYMLCMHHUXEW-UHFFFAOYSA-N 0 0 441.491 4.840 50 0 IJAARN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000001098768 555628434 /nfs/dbraw/zinc/62/84/34/555628434.db2.gz HSHSTFFSSBLZJL-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2s1 ZINC000001107061 555629576 /nfs/dbraw/zinc/62/95/76/555629576.db2.gz AFZPSCRFOAMYMX-UHFFFAOYSA-N 0 0 426.441 4.833 50 0 IJAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC3CCCC3)cc2Cl)NC(=O)N1 ZINC000001108799 555630265 /nfs/dbraw/zinc/63/02/65/555630265.db2.gz SIXKUVLRMUOCJY-FQEVSTJZSA-N 0 0 436.936 4.641 50 0 IJAARN COc1cc(OC)c(NC(=O)COc2ccc(Cl)cc2Br)cc1Cl ZINC000001109810 555630822 /nfs/dbraw/zinc/63/08/22/555630822.db2.gz YTGYZLMMZFLTHV-UHFFFAOYSA-N 0 0 435.101 4.791 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001119375 555636366 /nfs/dbraw/zinc/63/63/66/555636366.db2.gz ZCJVNNCHWGSTJS-UHFFFAOYSA-N 0 0 442.562 4.606 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n[nH]2)cc1 ZINC000001123466 555639132 /nfs/dbraw/zinc/63/91/32/555639132.db2.gz TZJCQBKDNLOWMJ-UHFFFAOYSA-N 0 0 442.850 4.883 50 0 IJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000001123616 555639291 /nfs/dbraw/zinc/63/92/91/555639291.db2.gz PXFUDOYGMQANLH-HNNXBMFYSA-N 0 0 437.521 4.836 50 0 IJAARN O=C(OCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000001124517 555639998 /nfs/dbraw/zinc/63/99/98/555639998.db2.gz FHKUEPCZJMSPTG-UHFFFAOYSA-N 0 0 449.572 4.737 50 0 IJAARN COc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000001125364 555640522 /nfs/dbraw/zinc/64/05/22/555640522.db2.gz UVCAYFXBIWZDNH-UHFFFAOYSA-N 0 0 449.507 4.969 50 0 IJAARN COc1cc(NC(=O)[C@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)c(OC)cc1Cl ZINC000001126234 555640724 /nfs/dbraw/zinc/64/07/24/555640724.db2.gz JMNMPJLBWRQTOE-QGZVFWFLSA-N 0 0 429.687 4.796 50 0 IJAARN COc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000001141650 555650301 /nfs/dbraw/zinc/65/03/01/555650301.db2.gz IPBXTDLSMMPTPU-SXGWCWSVSA-N 0 0 447.354 4.507 50 0 IJAARN CC[C@H](Sc1nnc(COc2ccccc2C)n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000001144368 555652437 /nfs/dbraw/zinc/65/24/37/555652437.db2.gz BQLFJSQLVMTNNQ-SFHVURJKSA-N 0 0 430.961 4.865 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)cc1 ZINC000001146329 555653506 /nfs/dbraw/zinc/65/35/06/555653506.db2.gz WKNCOXDCAICXES-UHFFFAOYSA-N 0 0 438.778 4.830 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000001146736 555653749 /nfs/dbraw/zinc/65/37/49/555653749.db2.gz OEUQIDLZAMZEBX-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001148001 555654666 /nfs/dbraw/zinc/65/46/66/555654666.db2.gz PEIZQMVJGVIQOG-JWQCQUIFSA-N 0 0 433.504 4.865 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccncc1 ZINC000001148626 555654939 /nfs/dbraw/zinc/65/49/39/555654939.db2.gz NNURZLDNHXGTRP-HXUWFJFHSA-N 0 0 436.309 4.844 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001158000 555660177 /nfs/dbraw/zinc/66/01/77/555660177.db2.gz UISXENAYENIEAK-UHFFFAOYSA-N 0 0 447.771 4.686 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1)Nc1ccccc1 ZINC000001158859 555660875 /nfs/dbraw/zinc/66/08/75/555660875.db2.gz RAOKZPFAHHTKQH-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000001163700 555663274 /nfs/dbraw/zinc/66/32/74/555663274.db2.gz KMIBCILARNAPNM-QHCPKHFHSA-N 0 0 444.369 4.964 50 0 IJAARN COc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001171154 555666769 /nfs/dbraw/zinc/66/67/69/555666769.db2.gz IPORIHSEUKMTEK-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 ZINC000001171067 555666797 /nfs/dbraw/zinc/66/67/97/555666797.db2.gz JDHFOZPHUKJPQA-UHFFFAOYSA-N 0 0 432.505 4.724 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 ZINC000001173061 555668236 /nfs/dbraw/zinc/66/82/36/555668236.db2.gz ZUNBOGFCIUJAIU-KRWDZBQOSA-N 0 0 427.456 4.532 50 0 IJAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000001175226 555669176 /nfs/dbraw/zinc/66/91/76/555669176.db2.gz PKKQDYBTZYAFKS-UHFFFAOYSA-N 0 0 427.489 4.602 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc(Br)c2)NC(=S)N1 ZINC000001189588 555675473 /nfs/dbraw/zinc/67/54/73/555675473.db2.gz NHSJJEDHKBVWTB-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(CCNC(=O)[C@@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC ZINC000001192489 555676089 /nfs/dbraw/zinc/67/60/89/555676089.db2.gz GFYCWYYKUGYCNI-DEOSSOPVSA-N 0 0 429.560 4.986 50 0 biogenic IJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001196195 555676722 /nfs/dbraw/zinc/67/67/22/555676722.db2.gz OPDYCWJKLLQQCG-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)NC(=S)N1c1ccccc1 ZINC000001195974 555676728 /nfs/dbraw/zinc/67/67/28/555676728.db2.gz DHQSXGRERKFVLC-XMHGGMMESA-N 0 0 428.542 4.863 50 0 IJAARN CCOc1ccccc1NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 ZINC000001213119 555682719 /nfs/dbraw/zinc/68/27/19/555682719.db2.gz XXDWITFZCIHFLH-UHFFFAOYSA-N 0 0 436.533 4.905 50 0 IJAARN CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc32)cc1 ZINC000001307531 555689693 /nfs/dbraw/zinc/68/96/93/555689693.db2.gz VDZLCTULSOPVBJ-UHFFFAOYSA-N 0 0 442.519 4.993 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccccc1 ZINC000001440417 555697310 /nfs/dbraw/zinc/69/73/10/555697310.db2.gz POAWWHUADGALTO-UHFFFAOYSA-N 0 0 426.851 4.979 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc2sc3ccccc3n12 ZINC000001803640 555717227 /nfs/dbraw/zinc/71/72/27/555717227.db2.gz ADXCHYZYLNEVQN-UHFFFAOYSA-N 0 0 446.579 4.530 50 0 IJAARN CC(C)COC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062941 555732458 /nfs/dbraw/zinc/73/24/58/555732458.db2.gz NBIZDFQEVMBBQY-CVQXOBEKSA-N 0 0 445.559 4.638 50 0 IJAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000002065669 555733349 /nfs/dbraw/zinc/73/33/49/555733349.db2.gz LTQDLLFRDOIOKB-HNNXBMFYSA-N 0 0 431.330 4.538 50 0 IJAARN O=C1N[C@@]2(c3ccccc3)N(c3ccccc3)c3ccccc3[C@@]2(Cc2ccccc2)C1=O ZINC000002077924 555736061 /nfs/dbraw/zinc/73/60/61/555736061.db2.gz JHNZNZJOUPKCGV-VMPREFPWSA-N 0 0 430.507 4.871 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 ZINC000002117609 555745288 /nfs/dbraw/zinc/74/52/88/555745288.db2.gz DLZQMZYOTBFXBG-UHFFFAOYSA-N 0 0 428.579 4.680 50 0 IJAARN CCN(C(=S)NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC000002135856 555747244 /nfs/dbraw/zinc/74/72/44/555747244.db2.gz DTFHJAZJLYNGLX-UHFFFAOYSA-N 0 0 443.366 4.909 50 0 IJAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002172707 555752407 /nfs/dbraw/zinc/75/24/07/555752407.db2.gz BLIFQMWYIQKZHL-FQEVSTJZSA-N 0 0 447.516 4.882 50 0 IJAARN Nn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000002184095 555754871 /nfs/dbraw/zinc/75/48/71/555754871.db2.gz MAXZPUJWJYWDPK-UHFFFAOYSA-N 0 0 444.347 4.850 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3c4cc5c(nc4oc32)CC(C)(C)OC5)cc1 ZINC000002217630 555758923 /nfs/dbraw/zinc/75/89/23/555758923.db2.gz MJUDGTXNGAMCTJ-UHFFFAOYSA-N 0 0 434.521 4.662 50 0 IJAARN COc1cc(OC)c(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1OC ZINC000002263546 555763682 /nfs/dbraw/zinc/76/36/82/555763682.db2.gz RHTNUFXHQDECKG-UHFFFAOYSA-N 0 0 437.308 4.852 50 0 IJAARN COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(C)c1)C(F)(F)F ZINC000002345448 555770514 /nfs/dbraw/zinc/77/05/14/555770514.db2.gz POYJSOXNMKGSQR-NRFANRHFSA-N 0 0 432.398 4.715 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1F ZINC000002356905 555771724 /nfs/dbraw/zinc/77/17/24/555771724.db2.gz IGYYQWPRYBMRKC-UHFFFAOYSA-N 0 0 449.349 4.906 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000002392454 555775317 /nfs/dbraw/zinc/77/53/17/555775317.db2.gz UFVYWKWKPIPTFI-UHFFFAOYSA-N 0 0 428.901 4.872 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1 ZINC000002412824 555777107 /nfs/dbraw/zinc/77/71/07/555777107.db2.gz OUXINPKKHJXQRH-HJPURHCSSA-N 0 0 427.504 4.968 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000002419118 555777333 /nfs/dbraw/zinc/77/73/33/555777333.db2.gz IFPLFPOLJMGCGD-HXUWFJFHSA-N 0 0 429.875 4.946 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002424027 555777648 /nfs/dbraw/zinc/77/76/48/555777648.db2.gz DJMQBQKPNXIQDR-HXUWFJFHSA-N 0 0 429.875 4.946 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000002427350 555778111 /nfs/dbraw/zinc/77/81/11/555778111.db2.gz XMVWJPIIEGFRST-LJQANCHMSA-N 0 0 435.480 4.732 50 0 IJAARN COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)OC(C)C)cc1 ZINC000002445981 555780242 /nfs/dbraw/zinc/78/02/42/555780242.db2.gz CKDUZFGOAXEHTC-UHFFFAOYSA-N 0 0 447.944 4.552 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)cc1 ZINC000002447154 555780548 /nfs/dbraw/zinc/78/05/48/555780548.db2.gz KRGJFSXNPLWRCV-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccco2)cc1 ZINC000002452847 555782095 /nfs/dbraw/zinc/78/20/95/555782095.db2.gz CSPTYSVFSLQAGE-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000002480684 555783538 /nfs/dbraw/zinc/78/35/38/555783538.db2.gz VNJBKJNTAJCKOL-UHFFFAOYSA-N 0 0 431.510 4.898 50 0 IJAARN COc1ccc([C@@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OC ZINC000002530233 555786177 /nfs/dbraw/zinc/78/61/77/555786177.db2.gz PJLVJKXWGMHBKR-HSZRJFAPSA-N 0 0 433.504 4.666 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000002652071 555791454 /nfs/dbraw/zinc/79/14/54/555791454.db2.gz LFSQQTATZWJFGT-UHFFFAOYSA-N 0 0 428.517 4.868 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667469 555791772 /nfs/dbraw/zinc/79/17/72/555791772.db2.gz NUQTWZICLHFEPO-NIYFSFCBSA-N 0 0 432.539 4.877 50 0 IJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000002687906 555798663 /nfs/dbraw/zinc/79/86/63/555798663.db2.gz FTCVQQMMURFEQH-FMQWLBJXSA-N 0 0 442.799 4.807 50 0 IJAARN CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002707002 555800685 /nfs/dbraw/zinc/80/06/85/555800685.db2.gz CAGWVVRAPGNADQ-AWEZNQCLSA-N 0 0 432.804 4.985 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(Cl)cc2)c2ccccc23)cc1 ZINC000002713422 555801468 /nfs/dbraw/zinc/80/14/68/555801468.db2.gz AWYMONWEEDAERA-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN O=C(c1ccc(F)cc1)N(C[C@H]1CN(Cc2ccccc2Cl)CCO1)C1CCCC1 ZINC000034691946 555804590 /nfs/dbraw/zinc/80/45/90/555804590.db2.gz MWLMZPUJQXZSSS-JOCHJYFZSA-N 0 0 430.951 4.765 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)nc2)c(C)c1 ZINC000034681294 555814497 /nfs/dbraw/zinc/81/44/97/555814497.db2.gz NVWYPNZSXKRTPS-UHFFFAOYSA-N 0 0 435.572 4.571 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034684006 555819420 /nfs/dbraw/zinc/81/94/20/555819420.db2.gz XFTBMIKTALNAFV-UHFFFAOYSA-N 0 0 442.556 4.895 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000002826569 555831378 /nfs/dbraw/zinc/83/13/78/555831378.db2.gz BHKCWBGFYWLWEC-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000002827564 555831457 /nfs/dbraw/zinc/83/14/57/555831457.db2.gz SUDPACWWKQWPNP-UHFFFAOYSA-N 0 0 447.944 4.634 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1I ZINC000002830917 555832022 /nfs/dbraw/zinc/83/20/22/555832022.db2.gz MBZURCVMLINLLE-GFCCVEGCSA-N 0 0 438.334 4.932 50 0 IJAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000002843317 555836398 /nfs/dbraw/zinc/83/63/98/555836398.db2.gz CZEVQCGNCVAXCB-MSOLQXFVSA-N 0 0 446.623 4.664 50 0 IJAARN CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccccc3OC)cc2)no1 ZINC000002849053 555838474 /nfs/dbraw/zinc/83/84/74/555838474.db2.gz XVHCVPZPMZIXKS-UHFFFAOYSA-N 0 0 429.476 4.992 50 0 IJAARN CC(=O)c1cccc(NC(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c1 ZINC000002853860 555840831 /nfs/dbraw/zinc/84/08/31/555840831.db2.gz UJPIJOAKOAFZCU-UHFFFAOYSA-N 0 0 426.469 4.664 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(C)s1 ZINC000002857571 555842366 /nfs/dbraw/zinc/84/23/66/555842366.db2.gz DICNFOQMJSOZBU-UHFFFAOYSA-N 0 0 441.549 4.559 50 0 IJAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002858068 555842716 /nfs/dbraw/zinc/84/27/16/555842716.db2.gz AZWJMPIDMDKGRY-OAHLLOKOSA-N 0 0 446.475 4.550 50 0 IJAARN Cc1cc(Br)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C ZINC000002861858 555845160 /nfs/dbraw/zinc/84/51/60/555845160.db2.gz JKPCDQDRFZGLQX-UHFFFAOYSA-N 0 0 444.329 4.624 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000002869106 555848977 /nfs/dbraw/zinc/84/89/77/555848977.db2.gz MFVMXXKMZWPZGH-UHFFFAOYSA-N 0 0 436.533 4.868 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000002871453 555850068 /nfs/dbraw/zinc/85/00/68/555850068.db2.gz KIXZLTLAGXGMDY-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002875501 555851980 /nfs/dbraw/zinc/85/19/80/555851980.db2.gz MJFIWQVASOZMNA-HXUWFJFHSA-N 0 0 436.577 4.630 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000002877236 555852880 /nfs/dbraw/zinc/85/28/80/555852880.db2.gz PYKHEIMPCQLCTQ-FUHWJXTLSA-N 0 0 432.471 4.803 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1F ZINC000002881429 555855547 /nfs/dbraw/zinc/85/55/47/555855547.db2.gz DQZPPTCQXDPPRI-UHFFFAOYSA-N 0 0 443.931 4.755 50 0 IJAARN O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O ZINC000002882947 555856590 /nfs/dbraw/zinc/85/65/90/555856590.db2.gz JJSWDBIJWTWUDT-UHFFFAOYSA-N 0 0 425.699 4.743 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1-c1ccccc1CC2 ZINC000002884617 555857189 /nfs/dbraw/zinc/85/71/89/555857189.db2.gz SMQJTISTUPKGHD-UHFFFAOYSA-N 0 0 436.558 4.817 50 0 IJAARN Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002891038 555859909 /nfs/dbraw/zinc/85/99/09/555859909.db2.gz RRTMCYUMQZCNSD-UHFFFAOYSA-N 0 0 434.989 4.683 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccccc1F ZINC000002921145 555863171 /nfs/dbraw/zinc/86/31/71/555863171.db2.gz CTPQTRYDZJMMGW-UHFFFAOYSA-N 0 0 443.902 4.973 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CCCC1)CC2 ZINC000034717079 555867026 /nfs/dbraw/zinc/86/70/26/555867026.db2.gz RWHKGJNSNSDKEE-CLOONOSVSA-N 0 0 434.580 4.563 50 0 IJAARN CCOc1ccccc1[C@@H]1Nc2ccc(Br)cc2-c2nnc(SC)nc2O1 ZINC000002978188 555870571 /nfs/dbraw/zinc/87/05/71/555870571.db2.gz BJBRWQXOFYGZEV-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000003011219 555879114 /nfs/dbraw/zinc/87/91/14/555879114.db2.gz MZDHYSBWENJSLQ-KXBFYZLASA-N 0 0 444.413 4.833 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000003138673 555891475 /nfs/dbraw/zinc/89/14/75/555891475.db2.gz ADKOVSREWAYIPZ-IBGZPJMESA-N 0 0 428.838 4.620 50 0 IJAARN CCCCC(=O)N1CCCN(c2nc(CCCC)nc3onc(-c4ccccc4)c32)CC1 ZINC000034810375 555908447 /nfs/dbraw/zinc/90/84/47/555908447.db2.gz QZQITPDWDDIRDZ-UHFFFAOYSA-N 0 0 435.572 4.856 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)OCc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000034813133 555910041 /nfs/dbraw/zinc/91/00/41/555910041.db2.gz RFVFYLIGVFUUEH-UHFFFAOYSA-N 0 0 443.503 4.834 50 0 IJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2c(OC)cccc2OC)cc1OC ZINC000034793964 555917151 /nfs/dbraw/zinc/91/71/51/555917151.db2.gz OYHDJKWMICXNSJ-UHFFFAOYSA-N 0 0 439.512 4.562 50 0 IJAARN CCCN(CCC)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920616 555931590 /nfs/dbraw/zinc/93/15/90/555931590.db2.gz HJNUSGJOZYTHFO-LJQANCHMSA-N 0 0 440.506 4.855 50 0 IJAARN CCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000003667433 555945100 /nfs/dbraw/zinc/94/51/00/555945100.db2.gz VLVLARXXANXMPS-MQSUGXTHSA-N 0 0 437.495 4.650 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002366418 556084244 /nfs/dbraw/zinc/08/42/44/556084244.db2.gz LBOIYJBPTIZKBE-UHFFFAOYSA-N 0 0 432.524 4.961 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)NCc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000006428244 556087274 /nfs/dbraw/zinc/08/72/74/556087274.db2.gz JFIQYBLHMJTKEN-UHFFFAOYSA-N 0 0 447.922 4.554 50 0 biogenic,in-vitro IJAARN COc1ccc(CNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000006973584 556111875 /nfs/dbraw/zinc/11/18/75/556111875.db2.gz ZOGVJYRHROOAOR-UHFFFAOYSA-N 0 0 437.443 4.563 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000002644482 556117173 /nfs/dbraw/zinc/11/71/73/556117173.db2.gz NWLQOBXLVVFOGL-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN COc1ccc(Cn2cc3c(-c4ccc(OC)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002688480 556119391 /nfs/dbraw/zinc/11/93/91/556119391.db2.gz HAKMKRCTXRRMBF-UHFFFAOYSA-N 0 0 439.471 4.997 50 0 IJAARN Fc1ccc(Cn2cc3c(-c4ccc5c(c4)OCO5)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002688742 556119746 /nfs/dbraw/zinc/11/97/46/556119746.db2.gz UYOLHLNGDVXDLS-UHFFFAOYSA-N 0 0 441.418 4.848 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1cccc(C)c1 ZINC000002691869 556120259 /nfs/dbraw/zinc/12/02/59/556120259.db2.gz GJXWPTIZUICSPD-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccccc2Cl)cc1S(=O)(=O)c1ccc(F)cc1 ZINC000002692546 556120505 /nfs/dbraw/zinc/12/05/05/556120505.db2.gz HKUAPCQTTQAQTF-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002702777 556123064 /nfs/dbraw/zinc/12/30/64/556123064.db2.gz BDUCENDVEILVBU-LJQANCHMSA-N 0 0 447.516 4.916 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002704590 556123905 /nfs/dbraw/zinc/12/39/05/556123905.db2.gz BUIJHMWAWLDVTF-QHCPKHFHSA-N 0 0 427.456 4.561 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCCC2=O)cc1 ZINC000002714397 556129364 /nfs/dbraw/zinc/12/93/64/556129364.db2.gz KVKALDQYVOMJRL-UHFFFAOYSA-N 0 0 425.536 4.820 50 0 IJAARN O=C(Nc1ccc(Br)cc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725324 556133572 /nfs/dbraw/zinc/13/35/72/556133572.db2.gz HNWMAPMCEODMMJ-OAHLLOKOSA-N 0 0 437.599 4.912 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)c1 ZINC000002762540 556135781 /nfs/dbraw/zinc/13/57/81/556135781.db2.gz XYTMQMYBNUYLEQ-UHFFFAOYSA-N 0 0 428.488 4.858 50 0 IJAARN Cn1nc(C(F)(F)F)cc1-c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002787420 556138799 /nfs/dbraw/zinc/13/87/99/556138799.db2.gz OPAFRBBHCUEQMZ-JTQLQIEISA-N 0 0 434.491 4.909 50 0 IJAARN CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6nc(C)cc6C)o5)nc4c23)C1 ZINC000002789957 556139395 /nfs/dbraw/zinc/13/93/95/556139395.db2.gz MAMYBQVQLITYNL-OAHLLOKOSA-N 0 0 432.553 4.976 50 0 IJAARN C[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 ZINC000002789637 556139400 /nfs/dbraw/zinc/13/94/00/556139400.db2.gz JSQDIVUOXJJSNC-SNVBAGLBSA-N 0 0 432.475 4.605 50 0 IJAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000002796519 556145770 /nfs/dbraw/zinc/14/57/70/556145770.db2.gz NNNCMMPIFXZRET-UHFFFAOYSA-N 0 0 441.837 4.856 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008385055 556160947 /nfs/dbraw/zinc/16/09/47/556160947.db2.gz RGBNXLBXECTJLN-GOSISDBHSA-N 0 0 431.941 4.533 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008396935 556163841 /nfs/dbraw/zinc/16/38/41/556163841.db2.gz IWLDCYWEPFIEBP-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 ZINC000008409947 556167062 /nfs/dbraw/zinc/16/70/62/556167062.db2.gz TXQGNHKVGBKLTJ-UHFFFAOYSA-N 0 0 440.594 4.980 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000008434830 556172711 /nfs/dbraw/zinc/17/27/11/556172711.db2.gz SFKBXQJNPAPIKF-ANTHHZPCSA-N 0 0 427.328 4.752 50 0 IJAARN C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000008444563 556179045 /nfs/dbraw/zinc/17/90/45/556179045.db2.gz ZCGFQXVEVHXCJB-XQAQDONZSA-N 0 0 436.459 4.911 50 0 IJAARN O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000008450009 556181240 /nfs/dbraw/zinc/18/12/40/556181240.db2.gz WKKUFXUKJXXSAZ-KHGIDLIESA-N 0 0 430.287 4.748 50 0 IJAARN O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000008451355 556182239 /nfs/dbraw/zinc/18/22/39/556182239.db2.gz WRQTVVJNAYOXOF-OEAKJJBVSA-N 0 0 425.463 4.922 50 0 IJAARN O=C1N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000008451612 556182244 /nfs/dbraw/zinc/18/22/44/556182244.db2.gz GWBHSPAFBMXEGU-OQLLNIDSSA-N 0 0 425.204 4.561 50 0 IJAARN CCOc1ccccc1OCc1nn2c(nnc2-c2ccccc2Br)s1 ZINC000008453216 556184142 /nfs/dbraw/zinc/18/41/42/556184142.db2.gz LDULMVJLDKONHO-UHFFFAOYSA-N 0 0 431.315 4.593 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1F ZINC000008594886 556189922 /nfs/dbraw/zinc/18/99/22/556189922.db2.gz IMJWKMNNWGJKST-XMMPIXPASA-N 0 0 436.483 4.753 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008716665 556202364 /nfs/dbraw/zinc/20/23/64/556202364.db2.gz VFDJUAJHQYBECF-LRTDBIEQSA-N 0 0 448.375 4.958 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 ZINC000009060366 556243979 /nfs/dbraw/zinc/24/39/79/556243979.db2.gz KUTQGWOWJYFMIS-QHCPKHFHSA-N 0 0 426.476 4.678 50 0 IJAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)sc1C ZINC000009147056 556249469 /nfs/dbraw/zinc/24/94/69/556249469.db2.gz AOHRQOBVTOBEHD-HNNXBMFYSA-N 0 0 436.566 4.522 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)c1ccccc1 ZINC000009171250 556249813 /nfs/dbraw/zinc/24/98/13/556249813.db2.gz LUMRERCINMCUMH-FQEVSTJZSA-N 0 0 434.517 4.682 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189600 556252619 /nfs/dbraw/zinc/25/26/19/556252619.db2.gz JOGAHSIPWPPRKX-GOSISDBHSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 ZINC000009189602 556252652 /nfs/dbraw/zinc/25/26/52/556252652.db2.gz PAQKDNWLSMOHLS-FQEVSTJZSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)c1 ZINC000009199254 556257095 /nfs/dbraw/zinc/25/70/95/556257095.db2.gz HNLYDZQPNAJHMH-CQSZACIVSA-N 0 0 426.929 4.581 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225684 556259541 /nfs/dbraw/zinc/25/95/41/556259541.db2.gz RLURYPHERQHQDD-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2Cc2ccco2)cc1 ZINC000009233110 556262066 /nfs/dbraw/zinc/26/20/66/556262066.db2.gz GIFIIUSKYMFFBP-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239584 556266035 /nfs/dbraw/zinc/26/60/35/556266035.db2.gz YLLZWUCKHBEVRG-FGZHOGPDSA-N 0 0 435.597 4.808 50 0 IJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009288693 556273399 /nfs/dbraw/zinc/27/33/99/556273399.db2.gz HQUNVWLBFQGUKT-INIZCTEOSA-N 0 0 436.870 4.702 50 0 IJAARN O=c1n2nc(-c3ccccc3)nc2c2c3c(sc2n1Cc1ccccc1Cl)CCC3 ZINC000013684662 556275285 /nfs/dbraw/zinc/27/52/85/556275285.db2.gz DIVBUFUYYJNVIT-UHFFFAOYSA-N 0 0 432.936 4.963 50 0 IJAARN CCN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)NC1=S ZINC000009295986 556275291 /nfs/dbraw/zinc/27/52/91/556275291.db2.gz BWKCBGSWUFZXCI-SXGWCWSVSA-N 0 0 425.312 4.789 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 ZINC000009309522 556278507 /nfs/dbraw/zinc/27/85/07/556278507.db2.gz IGJKGDQVCFVTFN-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1OC ZINC000013689207 556278675 /nfs/dbraw/zinc/27/86/75/556278675.db2.gz HKRZBFHQAVUUAD-UHFFFAOYSA-N 0 0 440.565 4.917 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013689716 556279012 /nfs/dbraw/zinc/27/90/12/556279012.db2.gz ZETZKYOEUBFRKJ-XMMPIXPASA-N 0 0 426.451 4.769 50 0 IJAARN COc1ccc(C(=O)Nc2c(-c3cccc(C)c3)c(=O)c3ccccc3n2C)cc1OC ZINC000009327892 556282361 /nfs/dbraw/zinc/28/23/61/556282361.db2.gz RBXLMWGSARYPQH-UHFFFAOYSA-N 0 0 428.488 4.783 50 0 IJAARN CCCCCCOc1ccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009424137 556289513 /nfs/dbraw/zinc/28/95/13/556289513.db2.gz RMHCZXLPCWXSNU-IBGZPJMESA-N 0 0 435.611 4.537 50 0 IJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1c(F)cc(F)cc1Br ZINC000009436275 556291883 /nfs/dbraw/zinc/29/18/83/556291883.db2.gz GDAAAYCJYAZCOP-UHFFFAOYSA-N 0 0 441.203 4.677 50 0 IJAARN CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1 ZINC000009458260 556292738 /nfs/dbraw/zinc/29/27/38/556292738.db2.gz JDBREJHLOBKRDF-UHFFFAOYSA-N 0 0 429.343 4.853 50 0 IJAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(OC(C)C)c2)no1 ZINC000009450683 556292786 /nfs/dbraw/zinc/29/27/86/556292786.db2.gz CLHQXOBCJVQMOT-NRFANRHFSA-N 0 0 434.423 4.766 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cccc(C(F)(F)F)c1 ZINC000009463882 556293096 /nfs/dbraw/zinc/29/30/96/556293096.db2.gz RSSREHCVUAWQGW-UHFFFAOYSA-N 0 0 448.426 4.929 50 0 IJAARN COc1ccccc1[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1c1cc(C)on1 ZINC000009510822 556295865 /nfs/dbraw/zinc/29/58/65/556295865.db2.gz HBQXNRBSQTWPSM-HXUWFJFHSA-N 0 0 436.851 4.810 50 0 IJAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OCc4ccc(C)cc4)c(C)c3C(=O)C2)cc1OC ZINC000009559820 556298205 /nfs/dbraw/zinc/29/82/05/556298205.db2.gz NKOJUOBDKZCYGN-LJQANCHMSA-N 0 0 433.504 4.918 50 0 IJAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cn1 ZINC000009597815 556301873 /nfs/dbraw/zinc/30/18/73/556301873.db2.gz XFKFNPFTQYASND-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccc(F)cc1 ZINC000009608632 556303549 /nfs/dbraw/zinc/30/35/49/556303549.db2.gz MXCQOUBWDTUHGV-HXUWFJFHSA-N 0 0 438.528 4.870 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000009667419 556304957 /nfs/dbraw/zinc/30/49/57/556304957.db2.gz KXOIQAOVGAJFIL-JOCHJYFZSA-N 0 0 428.532 4.756 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013776496 556307445 /nfs/dbraw/zinc/30/74/45/556307445.db2.gz NKTVGCVHSBNONZ-HFZDXXHNSA-N 0 0 446.503 4.963 50 0 IJAARN O=C(Cn1ccc(C(F)(F)F)n1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032750595 556313094 /nfs/dbraw/zinc/31/30/94/556313094.db2.gz HTHSLWFIAZMSSR-MRXNPFEDSA-N 0 0 446.860 4.985 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009892636 556315562 /nfs/dbraw/zinc/31/55/62/556315562.db2.gz ZPPMJLUMSMRARA-UHFFFAOYSA-N 0 0 444.531 4.765 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000013844439 556318448 /nfs/dbraw/zinc/31/84/48/556318448.db2.gz IIGNUEFKRVNXGI-FYSMJZIKSA-N 0 0 425.488 4.749 50 0 IJAARN CSc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013845221 556318859 /nfs/dbraw/zinc/31/88/59/556318859.db2.gz VFOQBVYKMWQRPP-NSHDSACASA-N 0 0 433.382 4.509 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2)c2ccccc23)cc1 ZINC000009969487 556318912 /nfs/dbraw/zinc/31/89/12/556318912.db2.gz CLSBYOPZDCCWQR-UHFFFAOYSA-N 0 0 443.532 4.977 50 0 IJAARN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013847348 556319507 /nfs/dbraw/zinc/31/95/07/556319507.db2.gz QFAULVWRRCHHBE-PGRDOPGGSA-N 0 0 432.520 4.982 50 0 IJAARN Clc1ccccc1-c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)no1 ZINC000032754554 556323750 /nfs/dbraw/zinc/32/37/50/556323750.db2.gz DBYZUTIRLHTQPG-OAHLLOKOSA-N 0 0 428.857 4.578 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4c(C)cc(C)cc4C)n3C)oc21 ZINC000013880406 556325712 /nfs/dbraw/zinc/32/57/12/556325712.db2.gz VQVUOWRRRGVOQA-UHFFFAOYSA-N 0 0 436.537 4.893 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(C)cc1 ZINC000013895846 556329315 /nfs/dbraw/zinc/32/93/15/556329315.db2.gz HPYMWSIKIZIJNP-IWIPYMOSSA-N 0 0 442.540 4.743 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccc(OC)c(Br)c2)cc1 ZINC000032764452 556331586 /nfs/dbraw/zinc/33/15/86/556331586.db2.gz FRPZIINJMSHTRK-UHFFFAOYSA-N 0 0 433.346 4.511 50 0 IJAARN O=C(CSc1nccn1Cc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032572397 556347001 /nfs/dbraw/zinc/34/70/01/556347001.db2.gz MFBZDUQISYTKFX-OAQYLSRUSA-N 0 0 449.576 4.549 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cccnc3SC)C2)cc1Cl ZINC000011767443 556349705 /nfs/dbraw/zinc/34/97/05/556349705.db2.gz VMDAQGOZUQQKLA-OAHLLOKOSA-N 0 0 447.988 4.737 50 0 IJAARN CCCCN(Cc1ccccc1)C(=O)CC[C@@]1(Cc2ccc(OC)cc2F)CCC(=O)N1 ZINC000011783340 556351726 /nfs/dbraw/zinc/35/17/26/556351726.db2.gz FHPVXFZCSREOAZ-AREMUKBSSA-N 0 0 440.559 4.635 50 0 IJAARN Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(NC[C@H]3CCc4ccccc4O3)c12 ZINC000011786739 556353418 /nfs/dbraw/zinc/35/34/18/556353418.db2.gz QIBOTBIKKNBHKL-QGZVFWFLSA-N 0 0 448.548 4.671 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000014075686 556361786 /nfs/dbraw/zinc/36/17/86/556361786.db2.gz LSXSBFKZXFKTEB-UHFFFAOYSA-N 0 0 445.544 4.563 50 0 IJAARN COc1ccc(-n2ccnc2CN2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1 ZINC000011820002 556361947 /nfs/dbraw/zinc/36/19/47/556361947.db2.gz RJPVQWBHIUQKHP-KRWDZBQOSA-N 0 0 439.943 4.638 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1)NCc1ccccc1F ZINC000011839010 556363898 /nfs/dbraw/zinc/36/38/98/556363898.db2.gz NXVCNBBENCWVON-IBGZPJMESA-N 0 0 435.543 4.575 50 0 IJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000014112024 556370237 /nfs/dbraw/zinc/37/02/37/556370237.db2.gz DJPDUVTUEBDVGW-UHFFFAOYSA-N 0 0 442.544 4.633 50 0 IJAARN C[C@@H](Cc1cccs1)NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000011878183 556370961 /nfs/dbraw/zinc/37/09/61/556370961.db2.gz YPPIKMVDMVDDQQ-HNNXBMFYSA-N 0 0 429.973 4.935 50 0 IJAARN COc1ccc(NC(=O)CCC2CCN(Cc3csc(C(C)=O)c3)CC2)c(OC)c1 ZINC000011879976 556372114 /nfs/dbraw/zinc/37/21/14/556372114.db2.gz QZTZKSDPROSBQK-UHFFFAOYSA-N 0 0 430.570 4.599 50 0 IJAARN COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2c1 ZINC000014124641 556373236 /nfs/dbraw/zinc/37/32/36/556373236.db2.gz JXVYMXYGUVHKIK-UHFFFAOYSA-N 0 0 445.563 4.591 50 0 IJAARN COc1ccccc1/C=C/CN(C)Cc1nnc(SCc2ccccc2Cl)n1C ZINC000011910893 556374987 /nfs/dbraw/zinc/37/49/87/556374987.db2.gz RIGQFZOAFDWIQR-DHZHZOJOSA-N 0 0 428.989 4.915 50 0 IJAARN CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1C1CCCCC1 ZINC000014135706 556375225 /nfs/dbraw/zinc/37/52/25/556375225.db2.gz FBRJILMKABRNOW-UHFFFAOYSA-N 0 0 429.546 4.705 50 0 IJAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000011933151 556376435 /nfs/dbraw/zinc/37/64/35/556376435.db2.gz MAMOOKFHLBZJTI-SFHVURJKSA-N 0 0 433.533 4.504 50 0 IJAARN Cc1cccc(-c2nnc([C@H](C)Sc3nc(CN4CCOCC4)nc4ccccc43)o2)c1 ZINC000014142262 556377291 /nfs/dbraw/zinc/37/72/91/556377291.db2.gz UUBSEIKODANMDK-KRWDZBQOSA-N 0 0 447.564 4.674 50 0 IJAARN O=c1c2c(ncn1C[C@H](O)COC(c1ccccc1)c1ccccc1)sc1c2CCCC1 ZINC000014184115 556384026 /nfs/dbraw/zinc/38/40/26/556384026.db2.gz APESZUVIFZZYKR-FQEVSTJZSA-N 0 0 446.572 4.504 50 0 IJAARN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000014186313 556386122 /nfs/dbraw/zinc/38/61/22/556386122.db2.gz OOKMERKNXSIWQI-UHFFFAOYSA-N 0 0 440.801 4.867 50 0 IJAARN O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000014188972 556387278 /nfs/dbraw/zinc/38/72/78/556387278.db2.gz LWZHBJWKCLUQGR-UHFFFAOYSA-N 0 0 442.487 4.570 50 0 IJAARN Cc1ccc(-c2noc(CSc3nc(=O)c4c5c(sc4[nH]3)CCCC5)n2)cc1F ZINC000014196542 556388021 /nfs/dbraw/zinc/38/80/21/556388021.db2.gz NRKKSSRTTAIVIB-UHFFFAOYSA-N 0 0 428.514 4.653 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccnc(Cl)c2)C3)s1 ZINC000012034877 556389367 /nfs/dbraw/zinc/38/93/67/556389367.db2.gz LWASGIHHTRQZEJ-OAHLLOKOSA-N 0 0 430.888 4.539 50 0 IJAARN Cc1sc2ncn(CC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2c1-c1ccccc1 ZINC000014199732 556390618 /nfs/dbraw/zinc/39/06/18/556390618.db2.gz BRBLNCMDMAVPNM-UHFFFAOYSA-N 0 0 441.556 4.749 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC1C2CC3CC(C2)CC1C3 ZINC000012041822 556390966 /nfs/dbraw/zinc/39/09/66/556390966.db2.gz NMTUQFMNHIJWFG-KHPYEYCISA-N 0 0 430.592 4.752 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1CCc1ccc(F)cc1 ZINC000014201426 556391983 /nfs/dbraw/zinc/39/19/83/556391983.db2.gz AYYYPBXDIUVWOM-UHFFFAOYSA-N 0 0 447.462 4.633 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(Br)ccc1F ZINC000032817306 556393186 /nfs/dbraw/zinc/39/31/86/556393186.db2.gz FETZOTLBXQLPFL-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN Cc1ccc(-c2nc(CN3C(=O)[C@H](c4ccccc4)N(Cc4ccccc4)C3=O)no2)cc1 ZINC000032818835 556393790 /nfs/dbraw/zinc/39/37/90/556393790.db2.gz SCPBUQPRSRJQFX-QHCPKHFHSA-N 0 0 438.487 4.751 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000014226468 556394740 /nfs/dbraw/zinc/39/47/40/556394740.db2.gz YALQUSOLPKDNAO-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN COc1cc(-c2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)o2)cc(OC)c1OC ZINC000014234463 556398809 /nfs/dbraw/zinc/39/88/09/556398809.db2.gz OROLHSMDLJFEFN-UHFFFAOYSA-N 0 0 445.516 4.660 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014238015 556399943 /nfs/dbraw/zinc/39/99/43/556399943.db2.gz LAKSRQFTHFHBAC-INIZCTEOSA-N 0 0 440.590 4.956 50 0 IJAARN COc1ccc(-c2nn(CN3C[C@H](C)O[C@@H](C)C3)c(=S)n2C2CCCCC2)cc1OC ZINC000014242254 556402666 /nfs/dbraw/zinc/40/26/66/556402666.db2.gz KHTRIMRYJIGPBW-IRXDYDNUSA-N 0 0 446.617 4.670 50 0 IJAARN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000014245794 556405767 /nfs/dbraw/zinc/40/57/67/556405767.db2.gz RBNUBYONJAOUPL-UHFFFAOYSA-N 0 0 442.393 4.868 50 0 IJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)o2)cc1 ZINC000032593553 556407120 /nfs/dbraw/zinc/40/71/20/556407120.db2.gz AEGRYFAMOZWOBS-UHFFFAOYSA-N 0 0 432.910 4.936 50 0 IJAARN Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 ZINC000032593748 556407163 /nfs/dbraw/zinc/40/71/63/556407163.db2.gz PFXRXOWNBXJRJM-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=C(Nc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1)c1ccco1 ZINC000014254078 556410091 /nfs/dbraw/zinc/41/00/91/556410091.db2.gz VDKOTUDAERMGQS-UHFFFAOYSA-N 0 0 437.459 4.577 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014273367 556411511 /nfs/dbraw/zinc/41/15/11/556411511.db2.gz VYNPOQSODVQHKP-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)Cc1coc(-c2ccccc2)n1 ZINC000059744912 556413389 /nfs/dbraw/zinc/41/33/89/556413389.db2.gz RCXPQISQIULVPP-UHFFFAOYSA-N 0 0 427.913 4.604 50 0 IJAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1OCc1cccnc1 ZINC000032833899 556417931 /nfs/dbraw/zinc/41/79/31/556417931.db2.gz VIEVVCIKHRAHRE-UHFFFAOYSA-N 0 0 446.482 4.863 50 0 IJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1Cc2ccccc2S1 ZINC000014506377 556419691 /nfs/dbraw/zinc/41/96/91/556419691.db2.gz OKHFOHUNGOFBLA-DEOSSOPVSA-N 0 0 425.557 4.932 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cc2)n1 ZINC000014498791 556419727 /nfs/dbraw/zinc/41/97/27/556419727.db2.gz GTJHVTVFWGZNFO-FQEVSTJZSA-N 0 0 432.549 4.925 50 0 IJAARN COc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)n2)c1 ZINC000012975628 556421075 /nfs/dbraw/zinc/42/10/75/556421075.db2.gz VQNNFGBZDHQCRT-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)cc1Br ZINC000012979613 556423705 /nfs/dbraw/zinc/42/37/05/556423705.db2.gz MESPGPGOARCHRL-UHFFFAOYSA-N 0 0 448.342 4.543 50 0 IJAARN C[C@H](Oc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012985856 556426826 /nfs/dbraw/zinc/42/68/26/556426826.db2.gz MTMUSKQUTPTMLO-AWEZNQCLSA-N 0 0 428.895 4.870 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c(C)c1 ZINC000012986944 556427338 /nfs/dbraw/zinc/42/73/38/556427338.db2.gz IVPLUVPYLPRTCC-UHFFFAOYSA-N 0 0 446.576 4.647 50 0 IJAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000012993552 556429343 /nfs/dbraw/zinc/42/93/43/556429343.db2.gz AJEPYHHUSNYQHZ-UHFFFAOYSA-N 0 0 446.894 4.930 50 0 IJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845890 556429735 /nfs/dbraw/zinc/42/97/35/556429735.db2.gz OIUNSRCCBPRCML-SANMLTNESA-N 0 0 437.499 4.898 50 0 IJAARN O=C(CN1CCN(Cc2csc3ccccc23)CC1)Nc1ccccc1C(F)(F)F ZINC000032851128 556431952 /nfs/dbraw/zinc/43/19/52/556431952.db2.gz BRVLSWVTGDIXJP-UHFFFAOYSA-N 0 0 433.499 4.676 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 ZINC000013000998 556433099 /nfs/dbraw/zinc/43/30/99/556433099.db2.gz SJDWOOKYUAAWQE-UHFFFAOYSA-N 0 0 431.517 4.665 50 0 IJAARN O=C1N[C@]2(CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]32)NN1c1ccccc1 ZINC000229994159 556433597 /nfs/dbraw/zinc/43/35/97/556433597.db2.gz UBLXJJQOWTZNHB-HPUZDQILSA-N 0 0 426.520 4.779 50 0 IJAARN CCOc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Br ZINC000027824883 556433592 /nfs/dbraw/zinc/43/35/92/556433592.db2.gz MGGBDJHUZPWHPZ-UHFFFAOYSA-N 0 0 442.718 4.817 50 0 IJAARN O=C(CSc1nc2c(cc(Cl)cc2Cl)[nH]1)Nc1cc2c(cc1Cl)OCO2 ZINC000032858132 556434584 /nfs/dbraw/zinc/43/45/84/556434584.db2.gz MDZGVPMMNMHRNQ-UHFFFAOYSA-N 0 0 430.700 4.983 50 0 IJAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)Nc1cccc(C(C)C)c1 ZINC000032858385 556434822 /nfs/dbraw/zinc/43/48/22/556434822.db2.gz XSKVDAMZITXBKO-UHFFFAOYSA-N 0 0 440.613 4.679 50 0 IJAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013015580 556437298 /nfs/dbraw/zinc/43/72/98/556437298.db2.gz CIXOXWPJJIBSRW-XYTVBORESA-N 0 0 435.611 4.568 50 0 IJAARN COc1ccc(Nc2nc(CSc3n[nH]c(-c4ccc(OC)cc4)n3)cs2)cc1 ZINC000013017632 556438623 /nfs/dbraw/zinc/43/86/23/556438623.db2.gz NAZDOPVZSAWYPI-UHFFFAOYSA-N 0 0 425.539 4.981 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013017622 556438634 /nfs/dbraw/zinc/43/86/34/556438634.db2.gz HZQXPWPHBJYMSA-HSZRJFAPSA-N 0 0 435.907 4.945 50 0 IJAARN C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000013017892 556439030 /nfs/dbraw/zinc/43/90/30/556439030.db2.gz NUVSZWOHTZXNRV-SFHVURJKSA-N 0 0 445.592 4.767 50 0 IJAARN CC(C)(C)c1nc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)no1 ZINC000028010923 556441581 /nfs/dbraw/zinc/44/15/81/556441581.db2.gz YTPDNRXZPILCFS-UHFFFAOYSA-N 0 0 439.516 4.958 50 0 IJAARN COc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccncc2)c1 ZINC000028047393 556442444 /nfs/dbraw/zinc/44/24/44/556442444.db2.gz OLAGUHWKOIHWBK-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN Cc1ccccc1-n1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1 ZINC000028047361 556442508 /nfs/dbraw/zinc/44/25/08/556442508.db2.gz WUTNJOWEMROPIO-UHFFFAOYSA-N 0 0 436.581 4.696 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccc(C)c(C)c2)cc1 ZINC000028047591 556442970 /nfs/dbraw/zinc/44/29/70/556442970.db2.gz GYZYGMGNZDLOIB-UHFFFAOYSA-N 0 0 436.581 4.711 50 0 IJAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(Br)cc1 ZINC000011027580 556445009 /nfs/dbraw/zinc/44/50/09/556445009.db2.gz BWICJXQQSJFNQW-UHFFFAOYSA-N 0 0 437.363 4.541 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C ZINC000014792971 556446289 /nfs/dbraw/zinc/44/62/89/556446289.db2.gz YBXYNFFVXWTEKZ-MRXNPFEDSA-N 0 0 433.508 4.552 50 0 IJAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)N(Cc1ccccc1)c1nc2c(cccc2C)s1 ZINC000028243384 556446558 /nfs/dbraw/zinc/44/65/58/556446558.db2.gz VZWAVWYKBYJBGJ-UHFFFAOYSA-N 0 0 444.516 4.600 50 0 IJAARN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 ZINC000014825742 556448624 /nfs/dbraw/zinc/44/86/24/556448624.db2.gz VKUJDKRKZRHOLS-UHFFFAOYSA-N 0 0 429.958 4.959 50 0 IJAARN O=C(Nc1ccccn1)c1nc(SCc2ccc(Cl)cc2)ncc1Br ZINC000028291956 556450377 /nfs/dbraw/zinc/45/03/77/556450377.db2.gz MQRICWWMIRSVGE-UHFFFAOYSA-N 0 0 435.734 4.832 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013062670 556451016 /nfs/dbraw/zinc/45/10/16/556451016.db2.gz JJUURVORLFUZAG-UHFFFAOYSA-N 0 0 439.924 4.982 50 0 IJAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000014866774 556451705 /nfs/dbraw/zinc/45/17/05/556451705.db2.gz LFFXVYPFCVBQQI-UHFFFAOYSA-N 0 0 431.897 4.797 50 0 IJAARN COc1cccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)c1 ZINC000028402991 556453359 /nfs/dbraw/zinc/45/33/59/556453359.db2.gz ZUEIDXMHJVFUKT-UHFFFAOYSA-N 0 0 448.317 4.931 50 0 IJAARN COc1cccc(CCC(=O)N([C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)c1OC ZINC000072274687 556454403 /nfs/dbraw/zinc/45/44/03/556454403.db2.gz PDPTUFOGOROSFO-KRWDZBQOSA-N 0 0 425.525 4.550 50 0 IJAARN COc1ccccc1OCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000013073030 556454439 /nfs/dbraw/zinc/45/44/39/556454439.db2.gz HZKOAHHTBGMAGT-UHFFFAOYSA-N 0 0 427.504 4.665 50 0 IJAARN COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3ccc(F)cc3)CCC(=O)N2)c2ccccc12 ZINC000014883267 556454789 /nfs/dbraw/zinc/45/47/89/556454789.db2.gz KXNWAHZWKHPCSR-MHZLTWQESA-N 0 0 448.538 4.618 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032869818 556457978 /nfs/dbraw/zinc/45/79/78/556457978.db2.gz JOAWIGMZXFCDMY-UHFFFAOYSA-N 0 0 426.904 4.594 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1C ZINC000013100614 556460021 /nfs/dbraw/zinc/46/00/21/556460021.db2.gz DEXLYIPJQZZBEK-UHFFFAOYSA-N 0 0 447.492 4.516 50 0 IJAARN COc1ccc(Cc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1OC ZINC000013100779 556460032 /nfs/dbraw/zinc/46/00/32/556460032.db2.gz JHDHZLZORJPJQU-UHFFFAOYSA-N 0 0 435.336 4.551 50 0 IJAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000013109967 556463926 /nfs/dbraw/zinc/46/39/26/556463926.db2.gz DDHASVJHCRTRJU-UHFFFAOYSA-N 0 0 437.879 4.750 50 0 IJAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nnc(C4CCCCC4)s3)CCCC2)cc1C ZINC000029056390 556466261 /nfs/dbraw/zinc/46/62/61/556466261.db2.gz ILFCDDFUXORQHC-UHFFFAOYSA-N 0 0 447.626 4.928 50 0 IJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1CCc2ccccc21 ZINC000013113179 556466429 /nfs/dbraw/zinc/46/64/29/556466429.db2.gz VBAJKQYGXHQACM-HNNXBMFYSA-N 0 0 429.549 4.831 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cccc(OCc3c(C)noc3C)c1)O[C@H](C)C2 ZINC000013113188 556466463 /nfs/dbraw/zinc/46/64/63/556466463.db2.gz NRMVIMUHIBJTIK-OAHLLOKOSA-N 0 0 436.508 4.523 50 0 IJAARN O=C(/C=C/c1ccccc1F)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000014979620 556470231 /nfs/dbraw/zinc/47/02/31/556470231.db2.gz LQJGWHIFRLRJMU-VSRDTVRMSA-N 0 0 435.524 4.840 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000029264552 556471284 /nfs/dbraw/zinc/47/12/84/556471284.db2.gz DTYPGRZJWYVASR-DEOSSOPVSA-N 0 0 440.499 4.629 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(CN(C)Cc4ccon4)cc3)C2)s1 ZINC000014982099 556471327 /nfs/dbraw/zinc/47/13/27/556471327.db2.gz RMJKILMWERTXCU-FQEVSTJZSA-N 0 0 439.581 4.608 50 0 IJAARN COc1cccc(CCC(=O)NC[C@H]2Cc3cc(-c4ccccc4C(C)=O)ccc3O2)c1 ZINC000014987850 556473343 /nfs/dbraw/zinc/47/33/43/556473343.db2.gz WCVWXUVUZHAZLU-HSZRJFAPSA-N 0 0 429.516 4.617 50 0 IJAARN Cc1csc(SCc2c3ccccc3oc2C(=O)NCc2c(C)cc(C)[nH]c2=O)n1 ZINC000013121129 556473884 /nfs/dbraw/zinc/47/38/84/556473884.db2.gz VROMUGYRHPKBIF-UHFFFAOYSA-N 0 0 439.562 4.725 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000013124632 556474796 /nfs/dbraw/zinc/47/47/96/556474796.db2.gz JFUSFBAGOHIRKT-QRWLVFNGSA-N 0 0 431.558 4.763 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000029435240 556475414 /nfs/dbraw/zinc/47/54/14/556475414.db2.gz OHWKRNVAZCTJOH-UHFFFAOYSA-N 0 0 448.548 4.579 50 0 IJAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000013127215 556475708 /nfs/dbraw/zinc/47/57/08/556475708.db2.gz JJIFQHJUYCVPLA-GOSISDBHSA-N 0 0 435.574 4.689 50 0 IJAARN CNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)s1 ZINC000013127780 556476360 /nfs/dbraw/zinc/47/63/60/556476360.db2.gz QGIQDEXIADRJLL-GFCCVEGCSA-N 0 0 441.607 4.900 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1 ZINC000013130802 556479709 /nfs/dbraw/zinc/47/97/09/556479709.db2.gz KTMKFBLJAVWOKO-UHFFFAOYSA-N 0 0 439.515 4.999 50 0 IJAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000013131005 556480030 /nfs/dbraw/zinc/48/00/30/556480030.db2.gz PIIWRVLZKFVWHZ-UHFFFAOYSA-N 0 0 435.530 4.860 50 0 IJAARN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000072288209 556480413 /nfs/dbraw/zinc/48/04/13/556480413.db2.gz UXMZFTSCMDTVBI-IBGZPJMESA-N 0 0 431.435 4.631 50 0 IJAARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2Br)cc1 ZINC000013132105 556481031 /nfs/dbraw/zinc/48/10/31/556481031.db2.gz WCGRTPDDVOBQLF-UHFFFAOYSA-N 0 0 446.341 4.891 50 0 IJAARN COc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(OC)c(OC)c4)cs3)cc2c1 ZINC000029770044 556482175 /nfs/dbraw/zinc/48/21/75/556482175.db2.gz LIYFTFKZYDAKGQ-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000029794471 556482901 /nfs/dbraw/zinc/48/29/01/556482901.db2.gz CATXLFLWWXLGSN-HSZRJFAPSA-N 0 0 434.511 4.963 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000029839678 556483758 /nfs/dbraw/zinc/48/37/58/556483758.db2.gz ATVWZHZMMVCBJE-JTHBVZDNSA-N 0 0 430.573 4.775 50 0 IJAARN CC(C)CNC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013137838 556484674 /nfs/dbraw/zinc/48/46/74/556484674.db2.gz HLMNSCWTVBCAJB-UHFFFAOYSA-N 0 0 430.371 4.924 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc4ccccc4s3)c2)c1 ZINC000013138310 556485411 /nfs/dbraw/zinc/48/54/11/556485411.db2.gz FTIOZKLITPKFFM-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccc(C)cc2C)c2ccccc2)c1 ZINC000013141009 556485974 /nfs/dbraw/zinc/48/59/74/556485974.db2.gz ADDQATZOGYNGLB-QFIPXVFZSA-N 0 0 445.548 4.760 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Br)c1OCC ZINC000013147621 556488782 /nfs/dbraw/zinc/48/87/82/556488782.db2.gz LMRWCXOGFHLIIM-BOPFTXTBSA-N 0 0 430.298 4.899 50 0 IJAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000015065569 556492759 /nfs/dbraw/zinc/49/27/59/556492759.db2.gz VGXZHYAPXWTSQI-UHFFFAOYSA-N 0 0 446.950 4.767 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1cccc(Br)c1 ZINC000030467777 556494755 /nfs/dbraw/zinc/49/47/55/556494755.db2.gz JXTPEAXLTZOGKY-OAHLLOKOSA-N 0 0 447.398 4.655 50 0 IJAARN COCCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2cccs2)o1 ZINC000013164021 556495392 /nfs/dbraw/zinc/49/53/92/556495392.db2.gz CJBPFTVEFXBWRC-UHFFFAOYSA-N 0 0 448.548 4.552 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)cc2NC1=O ZINC000013164476 556496477 /nfs/dbraw/zinc/49/64/77/556496477.db2.gz UPABLNQQPQPYJI-CQSZACIVSA-N 0 0 430.489 4.573 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)CCCn3c(=O)oc4ccccc43)cs2)cc1 ZINC000032708086 556500682 /nfs/dbraw/zinc/50/06/82/556500682.db2.gz UCEJVKRQEJRLCE-UHFFFAOYSA-N 0 0 438.505 4.640 50 0 IJAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000013372523 556503751 /nfs/dbraw/zinc/50/37/51/556503751.db2.gz FOUTVZAWZOKEPP-ULBZPVTCSA-N 0 0 442.902 4.695 50 0 IJAARN CCOC(=O)C(=CNc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013466025 556507270 /nfs/dbraw/zinc/50/72/70/556507270.db2.gz WUKHBHPUOXCCFK-MHWRWJLKSA-N 0 0 434.728 4.937 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032882681 556509021 /nfs/dbraw/zinc/50/90/21/556509021.db2.gz BLSBOWPGDRMIEH-QHCPKHFHSA-N 0 0 439.506 4.607 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 ZINC000013514432 556511431 /nfs/dbraw/zinc/51/14/31/556511431.db2.gz OQJVTCRXPOLWCP-KRWDZBQOSA-N 0 0 434.562 4.639 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)c1C ZINC000013525277 556512388 /nfs/dbraw/zinc/51/23/88/556512388.db2.gz IWYUMZLCLNFMDP-INIZCTEOSA-N 0 0 439.487 4.630 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)O[C@H](C)C(=O)Nc3ccccc3)c2n1 ZINC000015280396 556516172 /nfs/dbraw/zinc/51/61/72/556516172.db2.gz LLAQLYHANCXIME-CYBMUJFWSA-N 0 0 433.291 4.799 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)O[C@@H](C)C(=O)Nc3ccccc3)c2n1 ZINC000015280397 556516225 /nfs/dbraw/zinc/51/62/25/556516225.db2.gz LLAQLYHANCXIME-ZDUSSCGKSA-N 0 0 433.291 4.799 50 0 IJAARN Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c(Cl)c1 ZINC000013576392 556526246 /nfs/dbraw/zinc/52/62/46/556526246.db2.gz VORSUWCQXRZUPM-NRFANRHFSA-N 0 0 439.943 4.536 50 0 IJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCCn3c(C)nc4ccccc43)c12 ZINC000032900457 556529129 /nfs/dbraw/zinc/52/91/29/556529129.db2.gz DIISIXKBBXJYMM-UHFFFAOYSA-N 0 0 443.482 4.816 50 0 IJAARN O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000013607102 556533303 /nfs/dbraw/zinc/53/33/03/556533303.db2.gz CQDCWJCYLWGZSU-NRFANRHFSA-N 0 0 441.462 4.629 50 0 IJAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000015544114 556533830 /nfs/dbraw/zinc/53/38/30/556533830.db2.gz OQLNISBAEWGYIY-UHFFFAOYSA-N 0 0 428.275 4.994 50 0 IJAARN O=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1I ZINC000011084662 556537229 /nfs/dbraw/zinc/53/72/29/556537229.db2.gz LACYHWDICVWSBB-UHFFFAOYSA-N 0 0 429.685 4.534 50 0 IJAARN Cc1cnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)s1 ZINC000015607412 556537723 /nfs/dbraw/zinc/53/77/23/556537723.db2.gz SFAARVDBUMLTNY-UHFFFAOYSA-N 0 0 426.505 4.559 50 0 IJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC(OCc2ccccc2)CC1 ZINC000032902759 556540924 /nfs/dbraw/zinc/54/09/24/556540924.db2.gz UCOBKSIJBZZHML-UHFFFAOYSA-N 0 0 426.463 4.760 50 0 IJAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000013644234 556543302 /nfs/dbraw/zinc/54/33/02/556543302.db2.gz SMIJYUVKPPYKEE-UHFFFAOYSA-N 0 0 447.848 4.733 50 0 IJAARN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000015769215 556549834 /nfs/dbraw/zinc/54/98/34/556549834.db2.gz LKOTWVLUKWCYDI-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN O=c1/c(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)sc2nc3ccccc3n12 ZINC000015769223 556549897 /nfs/dbraw/zinc/54/98/97/556549897.db2.gz LJEWSDRXMBWZPL-QRVIBDJDSA-N 0 0 425.488 4.599 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(F)ccc1F)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997507 556551755 /nfs/dbraw/zinc/55/17/55/556551755.db2.gz LRZMYBUXDWPNGF-FQEVSTJZSA-N 0 0 428.464 4.681 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(F)ccc1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997698 556551929 /nfs/dbraw/zinc/55/19/29/556551929.db2.gz LTCDAKVXIUJEMR-OAQYLSRUSA-N 0 0 442.491 4.990 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1NC(=O)c1ccccc1 ZINC000032998445 556552566 /nfs/dbraw/zinc/55/25/66/556552566.db2.gz MLUJTLISNNDJKN-UHFFFAOYSA-N 0 0 444.491 4.654 50 0 IJAARN CCCc1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 ZINC000032906592 556553467 /nfs/dbraw/zinc/55/34/67/556553467.db2.gz UKVKAWSRWUJPNX-VWLOTQADSA-N 0 0 434.561 4.870 50 0 IJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000033048643 556553621 /nfs/dbraw/zinc/55/36/21/556553621.db2.gz PXHCHEOIZXDWMX-KRWDZBQOSA-N 0 0 442.244 4.751 50 0 IJAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000015823031 556554287 /nfs/dbraw/zinc/55/42/87/556554287.db2.gz YPZOKUPBFYXBEL-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2OC)cc1 ZINC000015835479 556555339 /nfs/dbraw/zinc/55/53/39/556555339.db2.gz NCWVNJSAIUKQEI-AREMUKBSSA-N 0 0 430.504 4.812 50 0 IJAARN CC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274500 556558520 /nfs/dbraw/zinc/55/85/20/556558520.db2.gz FYFOEZROJGBZFN-UHFFFAOYSA-N 0 0 442.625 4.979 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCC2)o1 ZINC000015860479 556558711 /nfs/dbraw/zinc/55/87/11/556558711.db2.gz BYEJPLBYSVTWRD-QGZVFWFLSA-N 0 0 431.330 4.972 50 0 IJAARN COc1cc(C)c(NC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)cc1OC ZINC000072306873 556560650 /nfs/dbraw/zinc/56/06/50/556560650.db2.gz JHYRAHVDAPXODT-FQEVSTJZSA-N 0 0 433.346 4.550 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000015881920 556560594 /nfs/dbraw/zinc/56/05/94/556560594.db2.gz DOHVMCYCVKNLJF-UHFFFAOYSA-N 0 0 441.919 4.505 50 0 IJAARN COc1cccc(CNC(=O)CN2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 ZINC000072308408 556566209 /nfs/dbraw/zinc/56/62/09/556566209.db2.gz APBGEOTUZWDZPT-JOCHJYFZSA-N 0 0 433.552 4.927 50 0 IJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000015947026 556567743 /nfs/dbraw/zinc/56/77/43/556567743.db2.gz ZOGMQQUKBVPMJE-OAHLLOKOSA-N 0 0 426.325 4.998 50 0 IJAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3cccnc3)C[C@H]21 ZINC000034138844 556571139 /nfs/dbraw/zinc/57/11/39/556571139.db2.gz LQPPVHGLKZMDHE-NLFFAJNJSA-N 0 0 431.492 4.740 50 0 IJAARN COc1cc(C(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc(OC)c1OC ZINC000032960949 556571466 /nfs/dbraw/zinc/57/14/66/556571466.db2.gz HQJJVDMETJLDLB-UHFFFAOYSA-N 0 0 445.519 4.935 50 0 IJAARN CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000034250576 556571883 /nfs/dbraw/zinc/57/18/83/556571883.db2.gz DJVKHGGGJZLGII-FPCALVHFSA-N 0 0 434.532 4.745 50 0 IJAARN CCOc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc32)cc1OC ZINC000032961479 556572479 /nfs/dbraw/zinc/57/24/79/556572479.db2.gz CHIFQDMNRWWSDR-UHFFFAOYSA-N 0 0 429.314 4.643 50 0 IJAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 ZINC000002860340 556573052 /nfs/dbraw/zinc/57/30/52/556573052.db2.gz FKBYSQDBMUWMRL-DEOSSOPVSA-N 0 0 427.504 4.953 50 0 IJAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CSCc2cccc3ccccc32)c1C ZINC000032909390 556573280 /nfs/dbraw/zinc/57/32/80/556573280.db2.gz OJIHOKBHLRNDST-UHFFFAOYSA-N 0 0 442.606 4.579 50 0 IJAARN O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccnc(N2CCCCC2)n1 ZINC000072310806 556577033 /nfs/dbraw/zinc/57/70/33/556577033.db2.gz SSSDUDIOTCFGNQ-OAHLLOKOSA-N 0 0 433.352 4.946 50 0 IJAARN C[C@@H](NC(=O)Cn1ccc(=O)c2cccc(OC(F)(F)F)c21)c1ccc2ccccc2c1 ZINC000072311086 556577258 /nfs/dbraw/zinc/57/72/58/556577258.db2.gz PHURZIUOUWZMFU-OAHLLOKOSA-N 0 0 440.421 4.931 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000016045340 556579226 /nfs/dbraw/zinc/57/92/26/556579226.db2.gz YUKDZJACLOCLAY-OAQYLSRUSA-N 0 0 428.410 4.904 50 0 IJAARN CCc1ccc(CN(C)CC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000016045619 556579537 /nfs/dbraw/zinc/57/95/37/556579537.db2.gz YBLYELWQGNFQJT-UHFFFAOYSA-N 0 0 431.536 4.580 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)C3CCCCC3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813338 556583165 /nfs/dbraw/zinc/58/31/65/556583165.db2.gz DFGZCRYKIFXSHC-UHFFFAOYSA-N 0 0 433.552 4.912 50 0 IJAARN Cc1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000016115102 556583618 /nfs/dbraw/zinc/58/36/18/556583618.db2.gz IMOGPPWWQDCTOO-YZSQISJMSA-N 0 0 437.543 4.915 50 0 IJAARN CN(CCOc1ccccc1F)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000016112921 556583675 /nfs/dbraw/zinc/58/36/75/556583675.db2.gz GKCBVHSLQVIYSS-UHFFFAOYSA-N 0 0 440.540 4.542 50 0 IJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000034881861 556585284 /nfs/dbraw/zinc/58/52/84/556585284.db2.gz HKEDQLMHEUDRAX-UHFFFAOYSA-N 0 0 449.985 4.767 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)NCc3ncc(-c4ccccc4)o3)c2C(F)(F)F)cc1 ZINC000032912007 556585559 /nfs/dbraw/zinc/58/55/59/556585559.db2.gz AGAABAVFLAQRNL-UHFFFAOYSA-N 0 0 426.398 4.785 50 0 IJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032967326 556587720 /nfs/dbraw/zinc/58/77/20/556587720.db2.gz CZPHTWOAUNVBHA-UHFFFAOYSA-N 0 0 437.392 4.980 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc2ccccc21 ZINC000016207304 556590609 /nfs/dbraw/zinc/59/06/09/556590609.db2.gz GMXAFOLHHDKBSW-UHFFFAOYSA-N 0 0 447.470 4.741 50 0 IJAARN CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@@H](CC)C(=O)c1ccccc1 ZINC000016266502 556595611 /nfs/dbraw/zinc/59/56/11/556595611.db2.gz DEMNVRRDPCBGRC-AYOQOUSVSA-N 0 0 445.309 4.540 50 0 IJAARN Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)NCCc4cccs4)C3)nn2)cc1 ZINC000032974819 556595820 /nfs/dbraw/zinc/59/58/20/556595820.db2.gz VNRZBVPHMMAGIL-GOSISDBHSA-N 0 0 438.622 4.573 50 0 IJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Br)cc1 ZINC000016284427 556597218 /nfs/dbraw/zinc/59/72/18/556597218.db2.gz NIUCFVXPZQIACC-UHFFFAOYSA-N 0 0 425.261 4.883 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037357329 556602113 /nfs/dbraw/zinc/60/21/13/556602113.db2.gz LAWVZBKOTHYNKD-HNNXBMFYSA-N 0 0 432.927 4.679 50 0 IJAARN CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016382557 556604047 /nfs/dbraw/zinc/60/40/47/556604047.db2.gz FBFWBVOTAMCOLH-IBGZPJMESA-N 0 0 433.430 4.761 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1Br ZINC000016393993 556605069 /nfs/dbraw/zinc/60/50/69/556605069.db2.gz XPMUCDFGMHLGPC-UHFFFAOYSA-N 0 0 445.338 4.833 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000032985950 556605447 /nfs/dbraw/zinc/60/54/47/556605447.db2.gz QVDOWRYOYUUENC-QGZVFWFLSA-N 0 0 445.592 4.593 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000032985980 556605568 /nfs/dbraw/zinc/60/55/68/556605568.db2.gz LQJRGTPHGCSURK-QGZVFWFLSA-N 0 0 445.592 4.950 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000016448498 556608709 /nfs/dbraw/zinc/60/87/09/556608709.db2.gz GVFNPRKUADTQOW-UHFFFAOYSA-N 0 0 437.927 4.911 50 0 IJAARN COc1ccccc1Nc1nnc(SCc2cc(=O)oc3c(C)c(O)ccc23)s1 ZINC000016678061 556622937 /nfs/dbraw/zinc/62/29/37/556622937.db2.gz YUENLGWBRHGUOS-UHFFFAOYSA-N 0 0 427.507 4.703 50 0 IJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1O ZINC000016688760 556627115 /nfs/dbraw/zinc/62/71/15/556627115.db2.gz NXPXQPZBDPHSTA-YVLHZVERSA-N 0 0 434.311 4.790 50 0 IJAARN Cc1nc(-c2ccccc2)nc(N2CCCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1 ZINC000033744605 556629609 /nfs/dbraw/zinc/62/96/09/556629609.db2.gz PZKFNKSCNNUTBX-UHFFFAOYSA-N 0 0 440.591 4.882 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000016742244 556636046 /nfs/dbraw/zinc/63/60/46/556636046.db2.gz YCZYNHHJSSXHMW-HSZRJFAPSA-N 0 0 445.446 4.782 50 0 IJAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)c1 ZINC000037436241 556638544 /nfs/dbraw/zinc/63/85/44/556638544.db2.gz IUGDFUNLNBMKFV-BXTVSJRGSA-N 0 0 445.544 4.731 50 0 IJAARN COCc1nn2c(ncc3c2ccn(Cc2ccc(Cl)cc2)c3=O)c1-c1ccccc1 ZINC000040396396 556639111 /nfs/dbraw/zinc/63/91/11/556639111.db2.gz LNRNKARPYXWKCZ-UHFFFAOYSA-N 0 0 430.895 4.559 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2cc(C)c(C)cc2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000016806214 556643978 /nfs/dbraw/zinc/64/39/78/556643978.db2.gz VNXUHHITOAWOOT-KRWDZBQOSA-N 0 0 431.579 4.557 50 0 IJAARN Cc1cccc(CNC(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)C3CC3)cc2)c1 ZINC000037556055 556644809 /nfs/dbraw/zinc/64/48/09/556644809.db2.gz KBXULAYDDLEQMI-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000037556728 556645000 /nfs/dbraw/zinc/64/50/00/556645000.db2.gz WVUABFOHFVHDOC-UHFFFAOYSA-N 0 0 432.451 4.718 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016844987 556646647 /nfs/dbraw/zinc/64/66/47/556646647.db2.gz BXJHKJFPATVGQP-UHFFFAOYSA-N 0 0 449.557 4.595 50 0 IJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000016846943 556647494 /nfs/dbraw/zinc/64/74/94/556647494.db2.gz GOKSQMBHLZUZDK-UHFFFAOYSA-N 0 0 433.461 4.568 50 0 IJAARN Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2-c2cccnc2)cc1 ZINC000038487490 556649698 /nfs/dbraw/zinc/64/96/98/556649698.db2.gz QFEDMGKEEXMIBT-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1ccc(Cl)c(Cl)c1 ZINC000033002091 556654304 /nfs/dbraw/zinc/65/43/04/556654304.db2.gz YKZDHAKUHCRTJP-UHFFFAOYSA-N 0 0 428.337 4.696 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3cccc(C)c3)C2)c1 ZINC000011784379 556655315 /nfs/dbraw/zinc/65/53/15/556655315.db2.gz WRWRDHABPMVCQH-QFIPXVFZSA-N 0 0 429.520 4.567 50 0 IJAARN O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)Nc1cccc(Cl)c1 ZINC000011794111 556656286 /nfs/dbraw/zinc/65/62/86/556656286.db2.gz WMMDNVYUOPSIPK-UHFFFAOYSA-N 0 0 432.958 4.955 50 0 IJAARN Cc1scc(C(=O)Nn2c(=O)c3cc(Cc4ccccc4)sc3[nH]c2=S)c1C ZINC000017095570 556659062 /nfs/dbraw/zinc/65/90/62/556659062.db2.gz LPERHAVPOPMWFB-UHFFFAOYSA-N 0 0 427.576 4.774 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C)n(Cc2cccc(C)c2)n1 ZINC000017097073 556661190 /nfs/dbraw/zinc/66/11/90/556661190.db2.gz FNBWVLSHCYTXHI-UHFFFAOYSA-N 0 0 430.556 4.962 50 0 IJAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c12 ZINC000017097973 556662522 /nfs/dbraw/zinc/66/25/22/556662522.db2.gz MHUJZJGPIXHRJS-UHFFFAOYSA-N 0 0 432.503 4.834 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1OC ZINC000033013228 556662567 /nfs/dbraw/zinc/66/25/67/556662567.db2.gz XNOWHHQIZKSFLM-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000011852508 556662632 /nfs/dbraw/zinc/66/26/32/556662632.db2.gz PELNZENECXEVKP-HSZRJFAPSA-N 0 0 432.545 4.727 50 0 IJAARN Cc1ccc(Cn2ccc(NC(=S)Nc3ccn(Cc4ccc(Cl)cc4)n3)n2)cc1 ZINC000017101008 556665894 /nfs/dbraw/zinc/66/58/94/556665894.db2.gz ZTMGYKAYXMGNLZ-UHFFFAOYSA-N 0 0 436.972 4.947 50 0 IJAARN CCOC(=O)Cn1nc(-c2ccc(OC(F)F)cc2)cc1-c1ccc(OC(F)F)cc1 ZINC000017102000 556666294 /nfs/dbraw/zinc/66/62/94/556666294.db2.gz GNEJRLNLXKYFSN-UHFFFAOYSA-N 0 0 438.377 4.983 50 0 IJAARN Cc1ccc2c(C)nc(N3CCC(C(=O)NCc4cccc(C(F)(F)F)c4)CC3)nc2c1 ZINC000011881611 556668711 /nfs/dbraw/zinc/66/87/11/556668711.db2.gz PTOMGFKBHDCCCT-UHFFFAOYSA-N 0 0 442.485 4.798 50 0 IJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000017136159 556669467 /nfs/dbraw/zinc/66/94/67/556669467.db2.gz JGVXARAXALLHDY-JGSRLKPESA-N 0 0 428.536 4.791 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)cc1Cl ZINC000011903194 556670007 /nfs/dbraw/zinc/67/00/07/556670007.db2.gz BRGCOSNZJJKGHT-UHFFFAOYSA-N 0 0 426.929 4.892 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@H]2c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197795 556672861 /nfs/dbraw/zinc/67/28/61/556672861.db2.gz XHYGQADZTOROSN-ZSEKCTLFSA-N 0 0 448.375 4.958 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 ZINC000017306514 556675121 /nfs/dbraw/zinc/67/51/21/556675121.db2.gz GHCQCTKCAOINIW-UHFFFAOYSA-N 0 0 446.532 4.612 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn([C@H](C)C(=O)c3ccccc3)c(=O)c12 ZINC000011990627 556678607 /nfs/dbraw/zinc/67/86/07/556678607.db2.gz GYHJTINBRVTZGP-MRXNPFEDSA-N 0 0 431.517 4.771 50 0 IJAARN CCOc1cccc2c(C)nc(Nc3nc(CSc4ccc(C)cc4)cc(=O)[nH]3)nc12 ZINC000017879157 556680109 /nfs/dbraw/zinc/68/01/09/556680109.db2.gz LROYKEKWEGCWFD-UHFFFAOYSA-N 0 0 433.537 4.765 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000010629531 556682976 /nfs/dbraw/zinc/68/29/76/556682976.db2.gz KCUXSAAXLVAWIL-OAHLLOKOSA-N 0 0 429.851 4.761 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018156108 556685233 /nfs/dbraw/zinc/68/52/33/556685233.db2.gz XYQJFTRTDDLEDL-HDICACEKSA-N 0 0 431.319 4.726 50 0 IJAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000018210244 556687205 /nfs/dbraw/zinc/68/72/05/556687205.db2.gz RYHWSKDNIQVBKD-BEFAXECRSA-N 0 0 444.413 4.833 50 0 aggregator IJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3cccc(Cl)c3)c2)s1 ZINC000033022812 556687899 /nfs/dbraw/zinc/68/78/99/556687899.db2.gz JGTPYQZOSOPFHA-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000135682748 556688001 /nfs/dbraw/zinc/68/80/01/556688001.db2.gz MXDJBYWEIIEIQR-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000032937367 556689645 /nfs/dbraw/zinc/68/96/45/556689645.db2.gz CJWNZYXLYHPESU-UHFFFAOYSA-N 0 0 429.303 4.827 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000046006433 556690459 /nfs/dbraw/zinc/69/04/59/556690459.db2.gz PHQRWSZZWOFXBM-UHFFFAOYSA-N 0 0 446.526 4.742 50 0 IJAARN CC(C)[C@@H](NC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)c1cccs1 ZINC000033023022 556690865 /nfs/dbraw/zinc/69/08/65/556690865.db2.gz DPEMQPKZUBVFHD-QGZVFWFLSA-N 0 0 426.567 4.856 50 0 IJAARN O=c1c(=Cc2cccs2)sc2n1[C@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000252669082 556693866 /nfs/dbraw/zinc/69/38/66/556693866.db2.gz GLAIUMPUYUSBGA-HSZRJFAPSA-N 0 0 444.556 4.519 50 0 IJAARN O=C(Nc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)cc1Cl)c1ccco1 ZINC000072313609 556693870 /nfs/dbraw/zinc/69/38/70/556693870.db2.gz XHQNDARVAINQLY-HXUWFJFHSA-N 0 0 439.899 4.915 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)[C@@H]1C ZINC000013544528 556696448 /nfs/dbraw/zinc/69/64/48/556696448.db2.gz FBORSIAAQPABHS-DBXWQHBBSA-N 0 0 429.655 4.566 50 0 IJAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccnc4)c3)C2)cc1 ZINC000033034799 556717133 /nfs/dbraw/zinc/71/71/33/556717133.db2.gz AATVJJYYITTYKT-VWLOTQADSA-N 0 0 427.548 4.594 50 0 IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000138598261 556719135 /nfs/dbraw/zinc/71/91/35/556719135.db2.gz HPEUIIQOVQZUHQ-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN O=c1c2c(nc3sc(SC/C=C\c4ccccc4)nn31)CCN(Cc1ccccc1)C2 ZINC000206135710 556722487 /nfs/dbraw/zinc/72/24/87/556722487.db2.gz OJYDMOZWDIRRPC-GHXNOFRVSA-N 0 0 446.601 4.515 50 0 IJAARN COc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038182 556724377 /nfs/dbraw/zinc/72/43/77/556724377.db2.gz HVEYJWSDVGMHHL-UHFFFAOYSA-N 0 0 428.492 4.729 50 0 IJAARN O=C(c1cnc2ccccc2c1N1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1 ZINC000072328379 556725493 /nfs/dbraw/zinc/72/54/93/556725493.db2.gz ISHNFDPRAAAPNM-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000072328545 556726159 /nfs/dbraw/zinc/72/61/59/556726159.db2.gz DJYHLQWQWSZNCH-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccccc1 ZINC000072329965 556727645 /nfs/dbraw/zinc/72/76/45/556727645.db2.gz WMBDGQQGNUVEQX-UHFFFAOYSA-N 0 0 444.560 4.945 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)s2)cc1 ZINC000061720616 556728055 /nfs/dbraw/zinc/72/80/55/556728055.db2.gz VVLPWBCEEAXGER-UHFFFAOYSA-N 0 0 442.968 4.904 50 0 IJAARN CS(=O)(=O)Nc1ccc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 ZINC000011144770 556728721 /nfs/dbraw/zinc/72/87/21/556728721.db2.gz IYINAWAOIVSKEE-UHFFFAOYSA-N 0 0 444.563 4.725 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033040219 556732019 /nfs/dbraw/zinc/73/20/19/556732019.db2.gz TXNBPJKUKNZQBR-VWLOTQADSA-N 0 0 433.527 4.645 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055107812 556734998 /nfs/dbraw/zinc/73/49/98/556734998.db2.gz CTRJXDZKYHBNJJ-QGZVFWFLSA-N 0 0 441.915 4.608 50 0 IJAARN Cn1c(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)nc2ccccc21 ZINC000055119316 556735371 /nfs/dbraw/zinc/73/53/71/556735371.db2.gz NEMVKWYFIXIZIW-HSZRJFAPSA-N 0 0 441.535 4.754 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000078939307 556737015 /nfs/dbraw/zinc/73/70/15/556737015.db2.gz MDQNHNJCGXAWKP-WMLDXEAASA-N 0 0 439.394 4.536 50 0 IJAARN C[C@@]12Oc3ccccc3[C@@H](NC(=O)N1Cc1ccccc1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000072333176 556749721 /nfs/dbraw/zinc/74/97/21/556749721.db2.gz GAZWBIDUWRLVTQ-RQTOMXEWSA-N 0 0 447.922 4.970 50 0 IJAARN CCc1c(C)sc2nc(SCc3ccnc(Cl)c3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000058004985 556752686 /nfs/dbraw/zinc/75/26/86/556752686.db2.gz GMVBOHUNSPOOHF-CQSZACIVSA-N 0 0 436.002 4.849 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccc(Cl)cc1)C(=O)OC2 ZINC000062001389 556764322 /nfs/dbraw/zinc/76/43/22/556764322.db2.gz SVKQGROFNFBGJD-LNKIKWGQSA-N 0 0 443.927 4.618 50 0 biogenic IJAARN COC(=O)c1c(NC(=O)CN(C)Cc2c(F)cccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000058160384 556764480 /nfs/dbraw/zinc/76/44/80/556764480.db2.gz NBROJDLVNFFCAI-GFCCVEGCSA-N 0 0 438.952 4.523 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)cc1Cl ZINC000058162343 556766062 /nfs/dbraw/zinc/76/60/62/556766062.db2.gz BXAZWJCEKLZOPV-XMMPIXPASA-N 0 0 435.955 4.856 50 0 IJAARN COc1c(C)cnc(CN(C)C(=O)c2ccccc2SCc2c(C)noc2C)c1C ZINC000058166380 556766840 /nfs/dbraw/zinc/76/68/40/556766840.db2.gz CWPHALQSNNGYFV-UHFFFAOYSA-N 0 0 425.554 4.876 50 0 IJAARN S=C(NCCc1ccccc1)NN=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000058196744 556770527 /nfs/dbraw/zinc/77/05/27/556770527.db2.gz ZVTVTAIDMYYHSC-UHFFFAOYSA-N 0 0 433.968 4.984 50 0 IJAARN CC(C)Cc1nnc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c32)o1 ZINC000058330349 556781313 /nfs/dbraw/zinc/78/13/13/556781313.db2.gz QGUNAACGGRMJIY-UHFFFAOYSA-N 0 0 443.529 4.810 50 0 IJAARN COCc1nc2sc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)c(C)c2c(OC)n1 ZINC000058391103 556784567 /nfs/dbraw/zinc/78/45/67/556784567.db2.gz BIZFVXWTEFNMCN-ZDUSSCGKSA-N 0 0 449.985 4.775 50 0 IJAARN O=c1c(Cl)c(N2CCC[C@H]2c2cccc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058402347 556785311 /nfs/dbraw/zinc/78/53/11/556785311.db2.gz IUZQNVFAQVSTOD-HNNXBMFYSA-N 0 0 438.812 4.780 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1F ZINC000058406529 556786165 /nfs/dbraw/zinc/78/61/65/556786165.db2.gz IIWOJWLYOACVRN-UHFFFAOYSA-N 0 0 428.573 4.633 50 0 IJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(F)c(N(C)C)c(F)c3)c12 ZINC000058413333 556786497 /nfs/dbraw/zinc/78/64/97/556786497.db2.gz YZPUKZUGGBRMBC-UHFFFAOYSA-N 0 0 427.499 4.969 50 0 IJAARN CC[S@](=O)c1ccccc1C(=O)O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058669738 556790986 /nfs/dbraw/zinc/79/09/86/556790986.db2.gz ZQZMPFXANHNBMG-FCJAZMSBSA-N 0 0 438.427 4.801 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000011184803 556792172 /nfs/dbraw/zinc/79/21/72/556792172.db2.gz ALDPWKKFEYQLIJ-UHFFFAOYSA-N 0 0 442.924 4.925 50 0 IJAARN COc1c(C)cnc(Cn2c3ccccc3nc2SCC(=O)NCc2ccccc2)c1C ZINC000033050319 556799463 /nfs/dbraw/zinc/79/94/63/556799463.db2.gz JHNDXEWDVMJKJB-UHFFFAOYSA-N 0 0 446.576 4.514 50 0 IJAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)NC(=O)c2ccccc2Cl)s1 ZINC000002661922 556802804 /nfs/dbraw/zinc/80/28/04/556802804.db2.gz JZIRLNVHVJJCSI-UHFFFAOYSA-N 0 0 432.958 4.601 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)sc2c1 ZINC000003216195 556805230 /nfs/dbraw/zinc/80/52/30/556805230.db2.gz NSEZNPUEKKOGAZ-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCCC2)cc1OC ZINC000003220472 556805422 /nfs/dbraw/zinc/80/54/22/556805422.db2.gz PPRYGGXARQIAIK-FYWRMAATSA-N 0 0 431.536 4.972 50 0 IJAARN COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000003276542 556808187 /nfs/dbraw/zinc/80/81/87/556808187.db2.gz ZIVZPSQZXPPQRY-SDNWHVSQSA-N 0 0 433.460 4.691 50 0 aggregator IJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003326891 556810430 /nfs/dbraw/zinc/81/04/30/556810430.db2.gz GSZHDIACPVEUHN-UHFFFAOYSA-N 0 0 429.394 4.972 50 0 IJAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000096422582 556813934 /nfs/dbraw/zinc/81/39/34/556813934.db2.gz DCLPITULUQKVLM-AREMUKBSSA-N 0 0 437.584 4.528 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC1CCCCCC1 ZINC000003478104 556816641 /nfs/dbraw/zinc/81/66/41/556816641.db2.gz KFRBADJAWINKBJ-UHFFFAOYSA-N 0 0 441.984 4.970 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000003598382 556818090 /nfs/dbraw/zinc/81/80/90/556818090.db2.gz YKLSRVVWDPSFJC-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)[C@@H]1C ZINC000005493649 556818564 /nfs/dbraw/zinc/81/85/64/556818564.db2.gz WMYQUEQAOJCJMM-PJIJBLCYSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1Cl ZINC000033067773 556819612 /nfs/dbraw/zinc/81/96/12/556819612.db2.gz JZOURVAFOWDWHF-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1 ZINC000064450473 556823948 /nfs/dbraw/zinc/82/39/48/556823948.db2.gz UDCWCBRKQOMCFH-UHFFFAOYSA-N 0 0 441.534 4.973 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064661860 556825651 /nfs/dbraw/zinc/82/56/51/556825651.db2.gz RCZTUIPQLHFTAR-VWLOTQADSA-N 0 0 447.535 4.573 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)cc1 ZINC000065002460 556830562 /nfs/dbraw/zinc/83/05/62/556830562.db2.gz YVPGZTIKZYKMTJ-UHFFFAOYSA-N 0 0 436.559 4.800 50 0 IJAARN O=C(CSCc1ccccc1)Nn1c(=O)c2cc(-c3ccccc3)sc2[nH]c1=S ZINC000019630371 556832334 /nfs/dbraw/zinc/83/23/34/556832334.db2.gz BYURNVOTVVAEKE-UHFFFAOYSA-N 0 0 439.587 4.791 50 0 IJAARN COc1ccc(NC(=S)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(OC)c1 ZINC000019631405 556832588 /nfs/dbraw/zinc/83/25/88/556832588.db2.gz MIVXPIBJJINGEL-UHFFFAOYSA-N 0 0 440.396 4.525 50 0 IJAARN O=C(CC1(n2cccc2)CCSCC1)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160797 556837025 /nfs/dbraw/zinc/83/70/25/556837025.db2.gz MMQMICJUIQBJJJ-HSZRJFAPSA-N 0 0 430.577 4.883 50 0 IJAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4cc5c(s4)CCCCC5)c(=O)c23)C1 ZINC000019643995 556838948 /nfs/dbraw/zinc/83/89/48/556838948.db2.gz ADMXNVRNWAWYFR-NSHDSACASA-N 0 0 445.635 4.960 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)O[C@@H]1CCC[C@H]1n1cccn1 ZINC000062639878 556841469 /nfs/dbraw/zinc/84/14/69/556841469.db2.gz ZJZZPSYRMDIQJR-WOJBJXKFSA-N 0 0 432.446 4.584 50 0 IJAARN Nc1nnc(SCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)s1 ZINC000008707128 556842532 /nfs/dbraw/zinc/84/25/32/556842532.db2.gz UBUVAWJGJCRZMX-HNNXBMFYSA-N 0 0 436.356 4.783 50 0 IJAARN Clc1ccc(-c2noc3ncnc(N4CCN(Cc5ccccc5Cl)CC4)c32)cc1 ZINC000096793212 556845530 /nfs/dbraw/zinc/84/55/30/556845530.db2.gz BUKGFRIFANHYEG-UHFFFAOYSA-N 0 0 440.334 4.914 50 0 IJAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)Nc1nccs1 ZINC000008854625 556850235 /nfs/dbraw/zinc/85/02/35/556850235.db2.gz CUGOKFLEUGKFQQ-UHFFFAOYSA-N 0 0 426.386 4.836 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008966079 556851899 /nfs/dbraw/zinc/85/18/99/556851899.db2.gz VMQCYIOMSBGFIW-CYBMUJFWSA-N 0 0 442.547 4.923 50 0 IJAARN Cc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4nc5cc(Cl)ccc5[nH]4)C3)c2c1 ZINC000033071526 556851953 /nfs/dbraw/zinc/85/19/53/556851953.db2.gz XEOTYJCGERZGPT-QGZVFWFLSA-N 0 0 435.959 4.581 50 0 IJAARN CC(C)Cn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076967 556852679 /nfs/dbraw/zinc/85/26/79/556852679.db2.gz BLIDRDNUVYGPRX-UHFFFAOYSA-N 0 0 427.545 4.622 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(Cl)ccc3[nH]1)CCCC2 ZINC000407947204 556858373 /nfs/dbraw/zinc/85/83/73/556858373.db2.gz NYFLRXIOICNGSN-UHFFFAOYSA-N 0 0 435.958 4.674 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 ZINC000033106843 556859463 /nfs/dbraw/zinc/85/94/63/556859463.db2.gz MUVYMMFGSMUONX-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)s1 ZINC000033113472 556860138 /nfs/dbraw/zinc/86/01/38/556860138.db2.gz VPRZCQNWOUBKIZ-AWEZNQCLSA-N 0 0 441.944 4.855 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccccc4F)C3)s2)cc1 ZINC000033113348 556860234 /nfs/dbraw/zinc/86/02/34/556860234.db2.gz NIPBHBNXGWLDEC-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1C ZINC000033113482 556860447 /nfs/dbraw/zinc/86/04/47/556860447.db2.gz LCMUVGICCWQRBP-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1cccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000033113938 556860698 /nfs/dbraw/zinc/86/06/98/556860698.db2.gz LEJHWAILODIOSH-KRWDZBQOSA-N 0 0 437.971 4.934 50 0 IJAARN CN(CCc1noc(-c2ccc(C(=O)NC3CCCCCC3)cc2)n1)C(=O)c1ccccc1 ZINC000033114365 556861194 /nfs/dbraw/zinc/86/11/94/556861194.db2.gz ZXKGFAAZQWIKEL-UHFFFAOYSA-N 0 0 446.551 4.504 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2c3ccccc3[nH]c2Sc2cccc(F)c2)C1 ZINC000033116319 556862067 /nfs/dbraw/zinc/86/20/67/556862067.db2.gz AEERDVIMGIKAAV-INIZCTEOSA-N 0 0 440.540 4.802 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000033122155 556863338 /nfs/dbraw/zinc/86/33/38/556863338.db2.gz BRMYCAHQFCHVTF-UHFFFAOYSA-N 0 0 434.525 4.799 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)nn3)cc2)c1 ZINC000033130961 556871387 /nfs/dbraw/zinc/87/13/87/556871387.db2.gz KATKLWXYKOLNBK-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c(C)c1 ZINC000033141995 556877473 /nfs/dbraw/zinc/87/74/73/556877473.db2.gz UKWQVEOSOQQMOJ-HXUWFJFHSA-N 0 0 430.552 4.980 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1 ZINC000033168747 556880952 /nfs/dbraw/zinc/88/09/52/556880952.db2.gz VJVVGTICGDGCOH-IBGZPJMESA-N 0 0 436.556 4.608 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1 ZINC000033170323 556885694 /nfs/dbraw/zinc/88/56/94/556885694.db2.gz YEQFVRBPCHHBQM-QGZVFWFLSA-N 0 0 442.519 4.539 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000033170567 556886173 /nfs/dbraw/zinc/88/61/73/556886173.db2.gz RVBSWUVKFRLTGC-QXMHVHEDSA-N 0 0 425.510 4.529 50 0 IJAARN CSc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000033170755 556886342 /nfs/dbraw/zinc/88/63/42/556886342.db2.gz QOFNFRAPLMKODU-UHFFFAOYSA-N 0 0 434.565 4.911 50 0 IJAARN Cc1ccc2[nH]cc(CCNC(=O)CC3CCN(C(=O)c4ccccc4Cl)CC3)c2c1 ZINC000033254702 556891032 /nfs/dbraw/zinc/89/10/32/556891032.db2.gz KWUGAYJQXPYMBY-UHFFFAOYSA-N 0 0 437.971 4.731 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)Nc4ccc(F)cc4)cc3nc2N2CCCC2)cc1 ZINC000033251236 556892151 /nfs/dbraw/zinc/89/21/51/556892151.db2.gz PEDXZJDVXWNEAF-UHFFFAOYSA-N 0 0 442.494 4.686 50 0 IJAARN O=C(NC[C@@H]1COc2ccccc2C1)c1cccnc1Oc1cccc(Br)c1 ZINC000060605136 556894500 /nfs/dbraw/zinc/89/45/00/556894500.db2.gz QGYIXNOXBATNOF-OAHLLOKOSA-N 0 0 439.309 4.618 50 0 IJAARN COc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c(OC)c1 ZINC000033255303 556895099 /nfs/dbraw/zinc/89/50/99/556895099.db2.gz HBSJVGFDTOLUMO-UHFFFAOYSA-N 0 0 442.903 4.819 50 0 IJAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)NCc1ccc(C)cc1 ZINC000033258579 556896349 /nfs/dbraw/zinc/89/63/49/556896349.db2.gz LYYQSPZKJJYQBN-UHFFFAOYSA-N 0 0 427.508 4.737 50 0 IJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)NCc1ccccc1Cl ZINC000033258651 556896443 /nfs/dbraw/zinc/89/64/43/556896443.db2.gz IBEJGWNCVKOOLT-UHFFFAOYSA-N 0 0 433.899 4.692 50 0 IJAARN Clc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl ZINC000019799183 556917045 /nfs/dbraw/zinc/91/70/45/556917045.db2.gz NCTPFNXFPVJBQH-UHFFFAOYSA-N 0 0 435.380 4.699 50 0 IJAARN COC(=O)C[C@H](N[C@@H]1c2ccccc2C(=O)N1[C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000019808931 556918501 /nfs/dbraw/zinc/91/85/01/556918501.db2.gz NXBINCCJBLFLIN-XPEQFSOGSA-N 0 0 432.495 4.935 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2cccnc2)cc1 ZINC000019823492 556924955 /nfs/dbraw/zinc/92/49/55/556924955.db2.gz CIMLGILGIKDURX-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN Cc1cc2nc3n(c2cc1C)[C@@H](CS(=O)(=O)c1ccc(Br)cc1)CS3 ZINC000019829156 556926220 /nfs/dbraw/zinc/92/62/20/556926220.db2.gz BFCDTNYBVIEHQY-CQSZACIVSA-N 0 0 437.384 4.536 50 0 IJAARN Cc1onc(-c2ccccc2)c1CN1CCN(Cc2c(C)onc2-c2ccccc2)CC1 ZINC000019834940 556927729 /nfs/dbraw/zinc/92/77/29/556927729.db2.gz CILZUKTZWMMIAE-UHFFFAOYSA-N 0 0 428.536 4.931 50 0 IJAARN O=C(NC(NCCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1cccnc1 ZINC000019848266 556930064 /nfs/dbraw/zinc/93/00/64/556930064.db2.gz SRGOVDIAOFFIFE-UHFFFAOYSA-N 0 0 449.439 4.828 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859877 556932044 /nfs/dbraw/zinc/93/20/44/556932044.db2.gz SNGNWSZELDNXKB-QGZVFWFLSA-N 0 0 434.989 4.644 50 0 IJAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1sc2cccc(Cl)c2c1Cl ZINC000019902040 556941968 /nfs/dbraw/zinc/94/19/68/556941968.db2.gz ZSBFHMGVORNFRG-CYBMUJFWSA-N 0 0 425.337 4.604 50 0 IJAARN Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000019901904 556942015 /nfs/dbraw/zinc/94/20/15/556942015.db2.gz NWYHJSOLMUFBOL-HXUWFJFHSA-N 0 0 426.944 4.815 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(OC)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095392 556979227 /nfs/dbraw/zinc/97/92/27/556979227.db2.gz VCKZQTHGAOINOS-HSZRJFAPSA-N 0 0 431.536 4.696 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095512 556979513 /nfs/dbraw/zinc/97/95/13/556979513.db2.gz RGVYRFTWRFATNM-QHCPKHFHSA-N 0 0 429.520 4.582 50 0 IJAARN CCc1ccc(CNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000033268997 556986896 /nfs/dbraw/zinc/98/68/96/556986896.db2.gz DVMSAISIZHPKFN-UHFFFAOYSA-N 0 0 434.540 4.815 50 0 IJAARN NC(=O)c1c(NC(=O)C2(c3ccc(Br)cc3)CCCC2)sc2c1CCCC2 ZINC000020120521 556987432 /nfs/dbraw/zinc/98/74/32/556987432.db2.gz VKPHFVJTGOBAAY-UHFFFAOYSA-N 0 0 447.398 4.939 50 0 IJAARN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)c(C)cc2Br)cc1 ZINC000097143833 556992179 /nfs/dbraw/zinc/99/21/79/556992179.db2.gz UCMDYQCYJNQKQU-SFHVURJKSA-N 0 0 435.749 4.849 50 0 IJAARN CCOc1ccc2oc(=O)cc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000020177600 556995669 /nfs/dbraw/zinc/99/56/69/556995669.db2.gz VLPKOCFCDYEDOF-UHFFFAOYSA-N 0 0 446.469 4.528 50 0 IJAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1-c1ccccc1 ZINC000023077372 556996054 /nfs/dbraw/zinc/99/60/54/556996054.db2.gz JETVPCCTFRWSHY-UHFFFAOYSA-N 0 0 448.320 4.855 50 0 IJAARN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000020193511 556996838 /nfs/dbraw/zinc/99/68/38/556996838.db2.gz PMNWGMNJCRIDQV-QHCPKHFHSA-N 0 0 434.609 4.739 50 0 IJAARN COc1cccc(CNC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020274296 557004981 /nfs/dbraw/zinc/00/49/81/557004981.db2.gz VXGDKIFUWJRTOC-OAQYLSRUSA-N 0 0 448.910 4.987 50 0 IJAARN COc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000023119238 557007184 /nfs/dbraw/zinc/00/71/84/557007184.db2.gz XOPOWZXCFBLBSS-JOCHJYFZSA-N 0 0 449.528 4.643 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c1 ZINC000020353677 557009687 /nfs/dbraw/zinc/00/96/87/557009687.db2.gz JCPGZNKRUNWOFT-FQEVSTJZSA-N 0 0 425.916 4.757 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NC2CCCCCC2)c2ccccc23)c1 ZINC000020355991 557010330 /nfs/dbraw/zinc/01/03/30/557010330.db2.gz GQOUFJIMIPDYSI-UHFFFAOYSA-N 0 0 449.580 4.862 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(C)cc5C)n4ccn3n2)cc1 ZINC000045971313 557014305 /nfs/dbraw/zinc/01/43/05/557014305.db2.gz JWNUSPBCJUCFLR-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000045971407 557014337 /nfs/dbraw/zinc/01/43/37/557014337.db2.gz TYYJJKPSOCVTIX-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN CCCNC(=O)COc1cc(C(F)(F)F)c2c(C)nn(-c3cccc(Cl)c3C)c2n1 ZINC000045991343 557017021 /nfs/dbraw/zinc/01/70/21/557017021.db2.gz KYHWYUKYIQQHAH-UHFFFAOYSA-N 0 0 440.853 4.615 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)NCc3ccccc3Cl)cc(C)c12 ZINC000045991670 557017113 /nfs/dbraw/zinc/01/71/13/557017113.db2.gz QNQMNGZMILPAQO-QGZVFWFLSA-N 0 0 434.927 4.774 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1Cl ZINC000071999287 557018429 /nfs/dbraw/zinc/01/84/29/557018429.db2.gz UUVYGLCWKHFZHQ-UHFFFAOYSA-N 0 0 446.979 4.614 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nnc(COc3ccc(F)cc3)o2)c2ccccc2S1 ZINC000032943385 557019117 /nfs/dbraw/zinc/01/91/17/557019117.db2.gz UWYPEDQSERFZLY-CQSZACIVSA-N 0 0 445.541 4.797 50 0 IJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023137327 557019374 /nfs/dbraw/zinc/01/93/74/557019374.db2.gz LREHHFSRXOFKCQ-UHFFFAOYSA-N 0 0 437.512 4.848 50 0 IJAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1)n2C ZINC000046016919 557019799 /nfs/dbraw/zinc/01/97/99/557019799.db2.gz HEGXPNWPPWYOFZ-LJQANCHMSA-N 0 0 449.576 4.726 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)cc1 ZINC000046017078 557020146 /nfs/dbraw/zinc/02/01/46/557020146.db2.gz KNOZVMMPBORMOR-FQEVSTJZSA-N 0 0 449.576 4.644 50 0 IJAARN COc1cc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc(OC)c1OC ZINC000046018721 557020726 /nfs/dbraw/zinc/02/07/26/557020726.db2.gz ZZQBHFNWQJSKCM-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN CCCc1cc(N2CCN(c3cc(Cl)ccc3C)CC2)n2nc(-c3ccco3)nc2n1 ZINC000046017834 557020760 /nfs/dbraw/zinc/02/07/60/557020760.db2.gz WTIKOBZVEXNXKF-UHFFFAOYSA-N 0 0 436.947 4.625 50 0 IJAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2=O)c1 ZINC000046018662 557020797 /nfs/dbraw/zinc/02/07/97/557020797.db2.gz UDODZIWMAMPENH-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1cccc(-c2noc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)n2)c1 ZINC000046018713 557020806 /nfs/dbraw/zinc/02/08/06/557020806.db2.gz HSXKWWLRGHIYOP-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN COCCCNC(=O)c1cc(NC(=O)Nc2cccc3ccccc32)ccc1N1CCCC1 ZINC000033856393 557022652 /nfs/dbraw/zinc/02/26/52/557022652.db2.gz BLBGMHAESDOZQL-UHFFFAOYSA-N 0 0 446.551 4.850 50 0 IJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)c(C)c1 ZINC000032944044 557022802 /nfs/dbraw/zinc/02/28/02/557022802.db2.gz QSVZPCPGXBKHGY-INIZCTEOSA-N 0 0 430.595 4.650 50 0 IJAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)S2 ZINC000032944004 557022830 /nfs/dbraw/zinc/02/28/30/557022830.db2.gz GYCPABIDKLTSOD-ZDUSSCGKSA-N 0 0 436.986 4.686 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)C1=Cc3cc(OC)ccc3OC=C1)C[C@H](C)CC2 ZINC000021797876 557026833 /nfs/dbraw/zinc/02/68/33/557026833.db2.gz NGMMRIPLTIHLQW-CQSZACIVSA-N 0 0 439.533 4.986 50 0 IJAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000060203798 557027162 /nfs/dbraw/zinc/02/71/62/557027162.db2.gz WEQKRPAZDCPRPP-UHFFFAOYSA-N 0 0 427.913 4.972 50 0 IJAARN O=C1Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2C1=C1CCCC1 ZINC000046053984 557027462 /nfs/dbraw/zinc/02/74/62/557027462.db2.gz XQRLHFCORNDEFT-UHFFFAOYSA-N 0 0 436.577 4.610 50 0 IJAARN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000023157275 557030096 /nfs/dbraw/zinc/03/00/96/557030096.db2.gz XFNUNEWCEAKEMS-QFIPXVFZSA-N 0 0 448.592 4.858 50 0 IJAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCCc4ccccc4)cc3)C2=O)cc1 ZINC000046079470 557034361 /nfs/dbraw/zinc/03/43/61/557034361.db2.gz NPQBAXCAGLEWFN-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000046079757 557034921 /nfs/dbraw/zinc/03/49/21/557034921.db2.gz DLAKJUHZQGRIRF-UHFFFAOYSA-N 0 0 427.504 4.974 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079695 557035051 /nfs/dbraw/zinc/03/50/51/557035051.db2.gz IPQPQNPWLGVCTR-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)c1 ZINC000046080050 557035280 /nfs/dbraw/zinc/03/52/80/557035280.db2.gz QNIBUBFXIRKZTL-LJQANCHMSA-N 0 0 429.520 4.825 50 0 IJAARN O=C(CC1CCCC1)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122788 557036490 /nfs/dbraw/zinc/03/64/90/557036490.db2.gz ZHZVTYHQXMRAPQ-OAHLLOKOSA-N 0 0 432.977 4.730 50 0 IJAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123386 557037117 /nfs/dbraw/zinc/03/71/17/557037117.db2.gz PWDUGNCLPIHIOO-OAHLLOKOSA-N 0 0 440.956 4.772 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000046123392 557037134 /nfs/dbraw/zinc/03/71/34/557037134.db2.gz ZWPHTWFRGLTBFY-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN C[C@@H](Cc1ccco1)NC(=O)[C@@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125111 557037791 /nfs/dbraw/zinc/03/77/91/557037791.db2.gz GVUFGOHHVBVDBT-HOTGVXAUSA-N 0 0 441.959 4.650 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023182839 557044269 /nfs/dbraw/zinc/04/42/69/557044269.db2.gz SZPPYGIREJVTKN-UHFFFAOYSA-N 0 0 437.543 4.593 50 0 IJAARN C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181497 557045375 /nfs/dbraw/zinc/04/53/75/557045375.db2.gz RUQKSNZSRCZIAH-MBSDFSHPSA-N 0 0 439.556 4.928 50 0 IJAARN C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181467 557045449 /nfs/dbraw/zinc/04/54/49/557045449.db2.gz KTDAXBSSWSYASF-MBSDFSHPSA-N 0 0 429.605 4.836 50 0 IJAARN CCCCN(CCCC)c1nc(F)c2c(c1F)S(=O)(=O)CCN2Cc1ccccc1 ZINC000024615905 557045783 /nfs/dbraw/zinc/04/57/83/557045783.db2.gz GSYKYHISKRTXPY-UHFFFAOYSA-N 0 0 437.556 4.560 50 0 IJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000048235842 557047301 /nfs/dbraw/zinc/04/73/01/557047301.db2.gz RHXKMYSSEQRBRU-QGZVFWFLSA-N 0 0 427.501 4.529 50 0 IJAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4ccc(C)c(C)c4)n3)n[nH]2)c1 ZINC000033270988 557048239 /nfs/dbraw/zinc/04/82/39/557048239.db2.gz GJYMNRYLXJQZGO-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN O=C(CN1CCN(Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl ZINC000022931500 557050113 /nfs/dbraw/zinc/05/01/13/557050113.db2.gz UQUKYXZWELMGTO-UHFFFAOYSA-N 0 0 434.392 4.964 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)c1 ZINC000033273147 557051024 /nfs/dbraw/zinc/05/10/24/557051024.db2.gz UIEQUXLNUJLUCT-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CCN(CC)S(=O)(=O)N1C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000048286794 557052845 /nfs/dbraw/zinc/05/28/45/557052845.db2.gz NAWMQCOLNLIPHN-MAUKXSAKSA-N 0 0 431.989 4.916 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1OCC ZINC000017315498 557053580 /nfs/dbraw/zinc/05/35/80/557053580.db2.gz GPJXZAFWPUIJKZ-UHFFFAOYSA-N 0 0 435.528 4.644 50 0 IJAARN COCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 ZINC000048290778 557055394 /nfs/dbraw/zinc/05/53/94/557055394.db2.gz TWUDIHJVXZENHS-UHFFFAOYSA-N 0 0 439.943 4.990 50 0 IJAARN Cc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000048279035 557057113 /nfs/dbraw/zinc/05/71/13/557057113.db2.gz IDFYKXCSRPWVGV-UHFFFAOYSA-N 0 0 434.446 4.575 50 0 IJAARN CCOc1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948745 557057770 /nfs/dbraw/zinc/05/77/70/557057770.db2.gz CYVKKTPPSHLSAC-NRFANRHFSA-N 0 0 448.519 4.798 50 0 IJAARN O=C(Nc1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)c(C(F)(F)F)c1)c1ccco1 ZINC000048308553 557059583 /nfs/dbraw/zinc/05/95/83/557059583.db2.gz CSGBLIOUURNCRJ-CYBMUJFWSA-N 0 0 437.418 4.584 50 0 IJAARN O=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCN(c2ccccc2)CC1 ZINC000033279054 557061031 /nfs/dbraw/zinc/06/10/31/557061031.db2.gz FPAXHLZIFAZXCB-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048299394 557061738 /nfs/dbraw/zinc/06/17/38/557061738.db2.gz BASHCRZOUCZRRZ-OAQYLSRUSA-N 0 0 448.567 4.977 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000023119023 557064822 /nfs/dbraw/zinc/06/48/22/557064822.db2.gz UIQQTIRFRFOITA-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1OC ZINC000033289018 557066542 /nfs/dbraw/zinc/06/65/42/557066542.db2.gz UUYPAIYLYKVXNK-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN C[C@@H](CNC(=O)CCc1nc(-c2ccc(N3CCC(C)CC3)cc2)no1)c1ccccc1 ZINC000033283468 557068615 /nfs/dbraw/zinc/06/86/15/557068615.db2.gz YARYSKZWDUCDHV-FQEVSTJZSA-N 0 0 432.568 4.825 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290514 557068837 /nfs/dbraw/zinc/06/88/37/557068837.db2.gz IXHMQPWOGFIVQB-HNNXBMFYSA-N 0 0 438.890 4.701 50 0 IJAARN COc1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1N1CCCC1=O ZINC000048331950 557069818 /nfs/dbraw/zinc/06/98/18/557069818.db2.gz ZGJIMBCESCGZQB-KRWDZBQOSA-N 0 0 431.492 4.609 50 0 IJAARN O=C(Nc1ccc(Cl)cc1C(=O)NC1CC1)c1ccc(COCC(F)(F)F)cc1 ZINC000048340578 557070524 /nfs/dbraw/zinc/07/05/24/557070524.db2.gz GASQESBLIKODJF-UHFFFAOYSA-N 0 0 426.822 4.563 50 0 IJAARN CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)C)cc4)C3)n2)cc1 ZINC000033289685 557071160 /nfs/dbraw/zinc/07/11/60/557071160.db2.gz BKBSUTHDJADVHU-OAQYLSRUSA-N 0 0 432.524 4.838 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1 ZINC000033289805 557071235 /nfs/dbraw/zinc/07/12/35/557071235.db2.gz CNIFJJUETLOFIH-QGZVFWFLSA-N 0 0 438.915 4.758 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)n1 ZINC000033289966 557071802 /nfs/dbraw/zinc/07/18/02/557071802.db2.gz LMMHCNYXYKUOMW-UHFFFAOYSA-N 0 0 447.651 4.616 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000048354208 557072673 /nfs/dbraw/zinc/07/26/73/557072673.db2.gz ZMOONDBSBDXJBB-UHFFFAOYSA-N 0 0 448.495 4.935 50 0 IJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000023257444 557079930 /nfs/dbraw/zinc/07/99/30/557079930.db2.gz HHUSSOPTKYZRGK-QGZVFWFLSA-N 0 0 430.474 4.943 50 0 IJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)c(Cl)cc1OC ZINC000049005593 557084495 /nfs/dbraw/zinc/08/44/95/557084495.db2.gz OXRUYWRCYFTIEC-UHFFFAOYSA-N 0 0 428.920 4.834 50 0 IJAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000049007781 557086059 /nfs/dbraw/zinc/08/60/59/557086059.db2.gz ONCIUOGHOIBGIZ-UHFFFAOYSA-N 0 0 432.908 4.522 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000010903235 557090625 /nfs/dbraw/zinc/09/06/25/557090625.db2.gz SXFOWLGRZYQXPU-MRXNPFEDSA-N 0 0 432.351 4.939 50 0 IJAARN COc1ccc(CC[C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000060137691 557091968 /nfs/dbraw/zinc/09/19/68/557091968.db2.gz IQQCLWLCFCXJRS-NLFFAJNJSA-N 0 0 430.548 4.694 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1)N1CCCCC1 ZINC000033311145 557094978 /nfs/dbraw/zinc/09/49/78/557094978.db2.gz ZWDCCKQJHMHEDM-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C)C2)s1 ZINC000033315234 557097250 /nfs/dbraw/zinc/09/72/50/557097250.db2.gz MQIKUGJPOHFIJS-INIZCTEOSA-N 0 0 429.977 4.763 50 0 IJAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(C(C)C)c4)CC3)n2)cc1 ZINC000049403450 557099289 /nfs/dbraw/zinc/09/92/89/557099289.db2.gz YSTCNXFRJSZZME-UHFFFAOYSA-N 0 0 434.540 4.687 50 0 IJAARN CCn1c(-c2nnc(SCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)o2)cc2ccccc21 ZINC000033317947 557099689 /nfs/dbraw/zinc/09/96/89/557099689.db2.gz LNGZFCMTESNPGE-AWEZNQCLSA-N 0 0 446.536 4.557 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3cc(C)cc(C)c3)cccn12 ZINC000049405083 557100474 /nfs/dbraw/zinc/10/04/74/557100474.db2.gz FUSGYSRDJHJSPS-UHFFFAOYSA-N 0 0 434.565 4.667 50 0 IJAARN CN(CC(=O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1)Cc1ccccc1 ZINC000085221808 557100882 /nfs/dbraw/zinc/10/08/82/557100882.db2.gz JLBMOVVERRRQAA-UHFFFAOYSA-N 0 0 439.552 4.904 50 0 IJAARN COc1ccc(C(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1OC ZINC000033320583 557103426 /nfs/dbraw/zinc/10/34/26/557103426.db2.gz YHANRQYUMBRNOP-UHFFFAOYSA-N 0 0 442.519 4.634 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320728 557104426 /nfs/dbraw/zinc/10/44/26/557104426.db2.gz NDKSMTWJSSBOQS-UHFFFAOYSA-N 0 0 438.503 4.996 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)cc1 ZINC000033325205 557107222 /nfs/dbraw/zinc/10/72/22/557107222.db2.gz LYDFLHDKRIGEDP-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccccc3Cl)nn2c1C ZINC000086069689 557108042 /nfs/dbraw/zinc/10/80/42/557108042.db2.gz SEWIKWJOJKXCTB-UHFFFAOYSA-N 0 0 435.915 4.641 50 0 IJAARN COc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)cc1 ZINC000086069984 557108433 /nfs/dbraw/zinc/10/84/33/557108433.db2.gz BFHTTXWAXYVVGG-UHFFFAOYSA-N 0 0 443.551 4.895 50 0 IJAARN CCc1cccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)c1 ZINC000033326802 557108686 /nfs/dbraw/zinc/10/86/86/557108686.db2.gz QGXJVIHKMBMFQX-UHFFFAOYSA-N 0 0 430.556 4.754 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c(OC)c1 ZINC000033326695 557108807 /nfs/dbraw/zinc/10/88/07/557108807.db2.gz JAYVHJIRLKAULI-UHFFFAOYSA-N 0 0 448.527 4.790 50 0 IJAARN COc1ccc(Cc2nnc(C3CCN(C(=O)/C=C/c4cccs4)CC3)s2)cc1 ZINC000049422485 557109190 /nfs/dbraw/zinc/10/91/90/557109190.db2.gz ZBCCUHHEOFUBHZ-CMDGGOBGSA-N 0 0 425.579 4.618 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(OC)c4)n3)c2)cc1 ZINC000033327394 557109932 /nfs/dbraw/zinc/10/99/32/557109932.db2.gz DTCOWYBZLMGTKR-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000033331912 557116275 /nfs/dbraw/zinc/11/62/75/557116275.db2.gz XJLHDEZMNYJIFX-ZZHSESOFSA-N 0 0 449.551 4.747 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Br ZINC000001182352 557120003 /nfs/dbraw/zinc/12/00/03/557120003.db2.gz QAIFANLYCHTHLI-UHFFFAOYSA-N 0 0 444.656 4.931 50 0 IJAARN Cc1occc1-c1nnc(SCc2cc(=O)n3cc(C)ccc3n2)n1Cc1ccccc1 ZINC000023936469 557126555 /nfs/dbraw/zinc/12/65/55/557126555.db2.gz ABTWEMIQJLFDIJ-UHFFFAOYSA-N 0 0 443.532 4.503 50 0 IJAARN COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2C(=O)c2ccc(OC)cc2)cc1 ZINC000014944441 557126862 /nfs/dbraw/zinc/12/68/62/557126862.db2.gz JYQCLGHBZOJGPC-UHFFFAOYSA-N 0 0 427.460 4.508 50 0 IJAARN Cc1ccccc1-c1cc(C(=O)N2NC(C(F)F)=C[C@]2(O)C(F)F)c2ccccc2n1 ZINC000000654033 557129963 /nfs/dbraw/zinc/12/99/63/557129963.db2.gz QPYMSMPHYHPJJW-QFIPXVFZSA-N 0 0 431.389 4.631 50 0 IJAARN O[C@H](COc1c(Cl)cccc1Cl)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000024100301 557137001 /nfs/dbraw/zinc/13/70/01/557137001.db2.gz IREDDECBUXKKIN-SECBINFHSA-N 0 0 439.151 4.875 50 0 IJAARN O=C(c1cccs1)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000024573205 557151386 /nfs/dbraw/zinc/15/13/86/557151386.db2.gz WVQMZRHXHBXSIP-UHFFFAOYSA-N 0 0 430.982 4.652 50 0 IJAARN CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nnc1-c1ccco1 ZINC000024579130 557151812 /nfs/dbraw/zinc/15/18/12/557151812.db2.gz JXFOFPKFOWHNHT-HNNXBMFYSA-N 0 0 439.566 4.624 50 0 IJAARN O[C@H](CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000011476349 557152392 /nfs/dbraw/zinc/15/23/92/557152392.db2.gz RGKJHMLUMPZHEY-HXUWFJFHSA-N 0 0 431.517 4.548 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000024629273 557156413 /nfs/dbraw/zinc/15/64/13/557156413.db2.gz NTWODENRTYDHHZ-UGSOOPFHSA-N 0 0 426.866 4.991 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000024641603 557156923 /nfs/dbraw/zinc/15/69/23/557156923.db2.gz SLBOCRPTULMPLZ-LJQANCHMSA-N 0 0 441.940 4.860 50 0 IJAARN Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)cc1 ZINC000024756006 557163303 /nfs/dbraw/zinc/16/33/03/557163303.db2.gz HYTIXUUBJUEXBP-UHFFFAOYSA-N 0 0 434.487 4.723 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2=O)cc1 ZINC000024766393 557165267 /nfs/dbraw/zinc/16/52/67/557165267.db2.gz JYJIFSHKAHYTEL-MRXNPFEDSA-N 0 0 431.458 4.606 50 0 IJAARN CCn1c2ccc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2nc(C)c1=O ZINC000024768602 557165614 /nfs/dbraw/zinc/16/56/14/557165614.db2.gz MTUFFATYIWHDCP-OAQYLSRUSA-N 0 0 435.574 4.636 50 0 IJAARN Cc1ccc(C(=O)N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)cc1 ZINC000000738981 557166133 /nfs/dbraw/zinc/16/61/33/557166133.db2.gz ZBEMFSJMNRPVPJ-UHFFFAOYSA-N 0 0 432.568 4.806 50 0 IJAARN COc1ccc(N2C(=S)N[C@@H](c3cccc(C)c3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000024834275 557166390 /nfs/dbraw/zinc/16/63/90/557166390.db2.gz MKUOHIYVKUOKKJ-QFIPXVFZSA-N 0 0 440.565 4.674 50 0 IJAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000024819985 557168708 /nfs/dbraw/zinc/16/87/08/557168708.db2.gz FZRJXSGHAALYBU-CQSZACIVSA-N 0 0 431.323 4.562 50 0 IJAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N(Cc1ccccc1F)C1CC1 ZINC000024828725 557169778 /nfs/dbraw/zinc/16/97/78/557169778.db2.gz BODTXQQNHDFLNU-UHFFFAOYSA-N 0 0 447.963 4.759 50 0 IJAARN COc1ccccc1Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 ZINC000000755502 557170150 /nfs/dbraw/zinc/17/01/50/557170150.db2.gz HKYLCMCLVAZSFA-UHFFFAOYSA-N 0 0 429.567 4.737 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCC(c1ccccc1)c1ccccc1 ZINC000024842826 557173568 /nfs/dbraw/zinc/17/35/68/557173568.db2.gz CNLHSMCIVCRHSG-UHFFFAOYSA-N 0 0 429.516 4.759 50 0 IJAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000024945581 557181841 /nfs/dbraw/zinc/18/18/41/557181841.db2.gz JDCQUMFDLOESIC-UHFFFAOYSA-N 0 0 433.483 4.692 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@@H]2c2cccs2)no1 ZINC000011560005 557182489 /nfs/dbraw/zinc/18/24/89/557182489.db2.gz VLEVTWLULOKVPA-LJQANCHMSA-N 0 0 442.541 4.841 50 0 IJAARN CCc1c(C(=O)N2CCN(CC)CC2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000096207153 557182876 /nfs/dbraw/zinc/18/28/76/557182876.db2.gz KUMDVWDRLJEHHV-UHFFFAOYSA-N 0 0 437.415 4.718 50 0 IJAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1-c1ccccc1 ZINC000024970461 557183714 /nfs/dbraw/zinc/18/37/14/557183714.db2.gz DGJAJGBFQXYAPO-UHFFFAOYSA-N 0 0 440.469 4.528 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000009327990 557186993 /nfs/dbraw/zinc/18/69/93/557186993.db2.gz ZWHWGZVTBCOYEH-UHFFFAOYSA-N 0 0 439.324 4.527 50 0 IJAARN O=C(CN[C@H](c1cc2ccccc2o1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000024993269 557188332 /nfs/dbraw/zinc/18/83/32/557188332.db2.gz GQZJAAKKEAYNII-MHZLTWQESA-N 0 0 439.515 4.877 50 0 IJAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C)C/C3=C/c2ccccc2)CC1 ZINC000098003020 557189162 /nfs/dbraw/zinc/18/91/62/557189162.db2.gz ANDQAIGGQILDPC-SBOLGIJOSA-N 0 0 439.559 4.662 50 0 IJAARN CCc1nnc(SCC(=O)Nc2cc(C)c(C)cc2Br)n1CC(C)C ZINC000009615029 557192168 /nfs/dbraw/zinc/19/21/68/557192168.db2.gz LARBLBAEQMYTRT-UHFFFAOYSA-N 0 0 425.396 4.607 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000025057391 557192475 /nfs/dbraw/zinc/19/24/75/557192475.db2.gz NEFVJENMJQTFIQ-XZOQPEGZSA-N 0 0 434.923 4.977 50 0 IJAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nnc(C(C)C)n1C1CC1 ZINC000025063026 557193588 /nfs/dbraw/zinc/19/35/88/557193588.db2.gz BPNITQNOSVRASL-UHFFFAOYSA-N 0 0 443.356 4.561 50 0 IJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000100873385 557196233 /nfs/dbraw/zinc/19/62/33/557196233.db2.gz JLJAONGGIFBTEI-VPRJXVDDSA-N 0 0 431.355 4.643 50 0 IJAARN CC(C)CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000096319087 557199439 /nfs/dbraw/zinc/19/94/39/557199439.db2.gz FMNIADGZXCFEDS-UHFFFAOYSA-N 0 0 434.867 4.545 50 0 IJAARN COCCCn1c(=O)c2ccccc2nc1SCc1coc(-c2ccc(F)cc2)n1 ZINC000025219802 557200093 /nfs/dbraw/zinc/20/00/93/557200093.db2.gz QELFLNCKMYDKNX-UHFFFAOYSA-N 0 0 425.485 4.519 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1OCCC ZINC000025320449 557203437 /nfs/dbraw/zinc/20/34/37/557203437.db2.gz RVTIBSHGJGIPTF-UYAOXDASSA-N 0 0 442.556 4.587 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)cc1OC ZINC000025337659 557204849 /nfs/dbraw/zinc/20/48/49/557204849.db2.gz SQNRCCZRAYYJRF-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000100031925 557207214 /nfs/dbraw/zinc/20/72/14/557207214.db2.gz QEDNTYPEHCZCCK-UCDDGIFISA-N 0 0 437.495 4.716 50 0 IJAARN C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000025424788 557209313 /nfs/dbraw/zinc/20/93/13/557209313.db2.gz OKAICXRWXZEVPG-SFHVURJKSA-N 0 0 429.520 4.849 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1)[C@H]1CCCO1 ZINC000025509233 557212371 /nfs/dbraw/zinc/21/23/71/557212371.db2.gz JIDQZFKZVVUPQR-NQIIRXRSSA-N 0 0 438.574 4.715 50 0 IJAARN COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000170265270 557214193 /nfs/dbraw/zinc/21/41/93/557214193.db2.gz RSUMQOHHCVRNIP-UHFFFAOYSA-N 0 0 431.941 4.748 50 0 IJAARN C[C@H]1CN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc43)oc2=S)C[C@H](C)O1 ZINC000025778200 557225469 /nfs/dbraw/zinc/22/54/69/557225469.db2.gz PIZLIVGAKPADGT-HOTGVXAUSA-N 0 0 433.537 4.549 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783776 557226151 /nfs/dbraw/zinc/22/61/51/557226151.db2.gz NUBVZFVZMMLZCC-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000011656960 557227206 /nfs/dbraw/zinc/22/72/06/557227206.db2.gz SEQFTXLUJDGODE-UHFFFAOYSA-N 0 0 425.414 4.608 50 0 IJAARN COc1ccc2c(COC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)cc(=O)oc2c1 ZINC000018026352 557228750 /nfs/dbraw/zinc/22/87/50/557228750.db2.gz DPPXVECQJGMYBZ-UHFFFAOYSA-N 0 0 425.437 4.506 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000025899163 557229678 /nfs/dbraw/zinc/22/96/78/557229678.db2.gz CANQSZCVZOQCHV-QFIPXVFZSA-N 0 0 436.602 4.836 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000025904842 557229902 /nfs/dbraw/zinc/22/99/02/557229902.db2.gz JBBMDXJJWOIJAG-PGRDOPGGSA-N 0 0 436.602 4.836 50 0 IJAARN C[C@H](c1ccccc1)n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000026035041 557232455 /nfs/dbraw/zinc/23/24/55/557232455.db2.gz PJBXFIQYDNTNNU-QGZVFWFLSA-N 0 0 443.528 4.706 50 0 IJAARN O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072935 557233370 /nfs/dbraw/zinc/23/33/70/557233370.db2.gz UMZKQVYMJXZKNZ-UHFFFAOYSA-N 0 0 434.155 4.686 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c(Cl)c1 ZINC000098086973 557233702 /nfs/dbraw/zinc/23/37/02/557233702.db2.gz YRZHULSBKDSJND-UHFFFAOYSA-N 0 0 449.938 4.990 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211436 557234903 /nfs/dbraw/zinc/23/49/03/557234903.db2.gz PXMYAHLLONBDNR-UHFFFAOYSA-N 0 0 436.855 4.534 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211509 557235104 /nfs/dbraw/zinc/23/51/04/557235104.db2.gz UHYQMALRUONQAG-UHFFFAOYSA-N 0 0 436.855 4.534 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000098211496 557235159 /nfs/dbraw/zinc/23/51/59/557235159.db2.gz HSZIIHPOJNOWAQ-UHFFFAOYSA-N 0 0 430.464 4.696 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1OCC ZINC000098212223 557235532 /nfs/dbraw/zinc/23/55/32/557235532.db2.gz HQZCCYFPIPHIAL-LJQANCHMSA-N 0 0 437.496 4.520 50 0 IJAARN CCOC(=O)C1=C(NC(=O)C(c2ccccc2)c2ccccc2)Nc2ccccc2N=C1C ZINC000018084172 557235623 /nfs/dbraw/zinc/23/56/23/557235623.db2.gz ICDONXHBWQMWTK-UHFFFAOYSA-N 0 0 439.515 4.928 50 0 IJAARN COC(=O)c1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000032950847 557239008 /nfs/dbraw/zinc/23/90/08/557239008.db2.gz URBAJKURXUWQGQ-UHFFFAOYSA-N 0 0 428.492 4.620 50 0 IJAARN COc1cc(OC)c(NC(=O)NCCn2c3ccccc3nc2C(F)(F)F)cc1Cl ZINC000032951167 557241041 /nfs/dbraw/zinc/24/10/41/557241041.db2.gz VTOUANWZQAJYSZ-UHFFFAOYSA-N 0 0 442.825 4.547 50 0 IJAARN O=C1c2ccccc2C(=O)N1CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 ZINC000013987822 557242602 /nfs/dbraw/zinc/24/26/02/557242602.db2.gz QHIMDBPDDHWJHU-UHFFFAOYSA-N 0 0 445.544 4.633 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2Cc1cccc2cccnc21 ZINC000026779024 557248219 /nfs/dbraw/zinc/24/82/19/557248219.db2.gz BKIJYGNZHOBZCN-UHFFFAOYSA-N 0 0 445.544 4.579 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000026923057 557251321 /nfs/dbraw/zinc/25/13/21/557251321.db2.gz KLAUGHGMRLEGDQ-NTKDMRAZSA-N 0 0 435.527 4.931 50 0 IJAARN O=C(NCc1ccnc(N2CCCC2)c1)C1(c2ccc(Br)cc2)CCCC1 ZINC000026926923 557251777 /nfs/dbraw/zinc/25/17/77/557251777.db2.gz RHMMPYWSPOBAIM-UHFFFAOYSA-N 0 0 428.374 4.573 50 0 IJAARN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000011016732 557256622 /nfs/dbraw/zinc/25/66/22/557256622.db2.gz PEVVZUMTRSKQQC-UVGZRSKFSA-N 0 0 438.568 4.648 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)Nc3cc4c(cc3Cl)OCO4)s2)cc1OC ZINC000027220222 557258869 /nfs/dbraw/zinc/25/88/69/557258869.db2.gz XJNIZSXZVYWVTC-UHFFFAOYSA-N 0 0 432.885 4.770 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)CC1 ZINC000032953317 557259082 /nfs/dbraw/zinc/25/90/82/557259082.db2.gz QIORQLBLJPWATA-UHFFFAOYSA-N 0 0 438.531 4.576 50 0 IJAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027292334 557259795 /nfs/dbraw/zinc/25/97/95/557259795.db2.gz IYNQYJMJRRLVRL-AWEZNQCLSA-N 0 0 439.462 4.778 50 0 IJAARN CC[C@H](NC(=O)c1oc2ccc(Br)cc2c1C)c1nnc2n1CCCCC2 ZINC000072271642 557263457 /nfs/dbraw/zinc/26/34/57/557263457.db2.gz AOJPPEBRPZVGLS-HNNXBMFYSA-N 0 0 431.334 4.703 50 0 IJAARN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1OC ZINC000072272002 557267550 /nfs/dbraw/zinc/26/75/50/557267550.db2.gz WUJPGMJPKHKAMJ-NRFANRHFSA-N 0 0 437.515 4.919 50 0 IJAARN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1C ZINC000000829947 557272715 /nfs/dbraw/zinc/27/27/15/557272715.db2.gz RKMRAKZHMRJXAJ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCc1ccccc1NC(=O)CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O ZINC000101319780 557273146 /nfs/dbraw/zinc/27/31/46/557273146.db2.gz ZFLHBVOARHLZOX-UHFFFAOYSA-N 0 0 432.911 4.794 50 0 IJAARN Cc1cccc(-n2c(CNc3ccccc3)nnc2SCC(=O)NCc2ccccc2)c1 ZINC000027753575 557273536 /nfs/dbraw/zinc/27/35/36/557273536.db2.gz AWJSHEFCPWJJNT-UHFFFAOYSA-N 0 0 443.576 4.596 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)C(Cl)(Cl)Cl ZINC000100819959 557276584 /nfs/dbraw/zinc/27/65/84/557276584.db2.gz OJUMUZPZZIYLTQ-OAHLLOKOSA-N 0 0 434.714 4.643 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100838462 557276924 /nfs/dbraw/zinc/27/69/24/557276924.db2.gz ZOEXBLRRPBBELF-MJXNMMHHSA-N 0 0 442.309 4.594 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000100901987 557278174 /nfs/dbraw/zinc/27/81/74/557278174.db2.gz WLIKXXNVVWSVCA-QHCPKHFHSA-N 0 0 437.503 4.524 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000100901993 557278183 /nfs/dbraw/zinc/27/81/83/557278183.db2.gz WLIKXXNVVWSVCA-HSZRJFAPSA-N 0 0 437.503 4.524 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101402851 557280312 /nfs/dbraw/zinc/28/03/12/557280312.db2.gz CEFGRJLAYILLHB-HXUWFJFHSA-N 0 0 447.988 4.640 50 0 IJAARN O=C1C[C@@H](Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C(=O)N1c1ccccc1 ZINC000100992727 557280850 /nfs/dbraw/zinc/28/08/50/557280850.db2.gz OPTMCRNAHJZLKU-MRXNPFEDSA-N 0 0 429.423 4.587 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3C)N12 ZINC000101385948 557281967 /nfs/dbraw/zinc/28/19/67/557281967.db2.gz FLJKLWMMCFLMTK-KSFYIVLOSA-N 0 0 441.597 4.826 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@H]1c1ccc(Cl)cc1 ZINC000101391542 557283220 /nfs/dbraw/zinc/28/32/20/557283220.db2.gz LUHUVJPKEOSKHP-RBZFPXEDSA-N 0 0 447.988 4.783 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101877869 557295931 /nfs/dbraw/zinc/29/59/31/557295931.db2.gz ZOEXBLRRPBBELF-VMDGZTHMSA-N 0 0 442.309 4.594 50 0 IJAARN O=C([C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000014071126 557297743 /nfs/dbraw/zinc/29/77/43/557297743.db2.gz BMBYMRZGUHQQTG-HXUWFJFHSA-N 0 0 447.585 4.903 50 0 IJAARN Cc1sc2nc(S[C@H](C)C(=O)N3CCc4ccccc43)n(CC(C)C)c(=O)c2c1C ZINC000014075770 557299158 /nfs/dbraw/zinc/29/91/58/557299158.db2.gz IJDTZRVCZHSWRK-MRXNPFEDSA-N 0 0 441.622 4.801 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1cccnc1 ZINC000101835265 557301651 /nfs/dbraw/zinc/30/16/51/557301651.db2.gz PTDYDVJVOJZQPE-FQEVSTJZSA-N 0 0 428.883 4.635 50 0 IJAARN CC(C)c1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000101881276 557305152 /nfs/dbraw/zinc/30/51/52/557305152.db2.gz XWCSVKQJLFUQEV-UHFFFAOYSA-N 0 0 430.483 4.840 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1F ZINC000101881086 557305202 /nfs/dbraw/zinc/30/52/02/557305202.db2.gz VCFWWMJDCANSMK-UHFFFAOYSA-N 0 0 436.874 4.679 50 0 IJAARN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101881884 557305704 /nfs/dbraw/zinc/30/57/04/557305704.db2.gz IGSYDAJFOBAMEL-UHFFFAOYSA-N 0 0 438.409 4.597 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@H]2C1=O ZINC000101946173 557308145 /nfs/dbraw/zinc/30/81/45/557308145.db2.gz PPEFEONLAIKLAG-MRXNPFEDSA-N 0 0 425.916 4.823 50 0 IJAARN Cc1cc(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)ccc1Br ZINC000101946776 557308268 /nfs/dbraw/zinc/30/82/68/557308268.db2.gz WXTXOLJMMWABBT-HNNXBMFYSA-N 0 0 426.314 4.615 50 0 IJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC[C@@H]3COC(C)(C)O3)cc2)cc1 ZINC000023326249 557311075 /nfs/dbraw/zinc/31/10/75/557311075.db2.gz OFPPLSKYIGLMOI-HSZRJFAPSA-N 0 0 433.552 4.763 50 0 IJAARN Clc1snnc1CSc1nnc(Cc2cccs2)n1CCc1ccccc1 ZINC000032774352 557314464 /nfs/dbraw/zinc/31/44/64/557314464.db2.gz WGFAYOYUHZQLEO-UHFFFAOYSA-N 0 0 434.015 4.970 50 0 IJAARN CCOc1cc(/C=C/C(=O)O[C@H](C(=O)N(CC)CC)c2ccccc2)cc(Cl)c1OC ZINC000032741677 557314660 /nfs/dbraw/zinc/31/46/60/557314660.db2.gz OTZSVMSVNJMYES-TWLJRWAQSA-N 0 0 445.943 4.913 50 0 IJAARN CCCN(CCC)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@@H](c3ccsc3)N12 ZINC000102247796 557315414 /nfs/dbraw/zinc/31/54/14/557315414.db2.gz REVMNKUNMSGDGM-LJQANCHMSA-N 0 0 433.599 4.535 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581452 557316647 /nfs/dbraw/zinc/31/66/47/557316647.db2.gz CRSDGQNKTRVMNC-XJDIIYGHSA-N 0 0 448.350 4.886 50 0 IJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000011667297 557317329 /nfs/dbraw/zinc/31/73/29/557317329.db2.gz JBEUKGUVIAUJGL-ROUUACIJSA-N 0 0 448.588 4.857 50 0 IJAARN CCOc1ccc(CC(=O)Nc2ccc3nc(NC(=O)CC)sc3c2)cc1OCC ZINC000032961214 557319435 /nfs/dbraw/zinc/31/94/35/557319435.db2.gz PJWDYYUUAQAPFO-UHFFFAOYSA-N 0 0 427.526 4.623 50 0 IJAARN Cc1ccc(C)c(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1 ZINC000032949130 557320263 /nfs/dbraw/zinc/32/02/63/557320263.db2.gz AJHHDLMTEYRIKZ-UHFFFAOYSA-N 0 0 446.503 4.736 50 0 IJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000033393718 557320793 /nfs/dbraw/zinc/32/07/93/557320793.db2.gz ULECTPUINSKGHH-BOPFTXTBSA-N 0 0 433.327 4.954 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)[C@H]1C ZINC000102392161 557320734 /nfs/dbraw/zinc/32/07/34/557320734.db2.gz PYIVBMXBCPYKRF-GJYPPUQNSA-N 0 0 439.556 4.558 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)NCc1ccccc1Cl ZINC000102427317 557321854 /nfs/dbraw/zinc/32/18/54/557321854.db2.gz BHWBYEQYSHHKFG-UHFFFAOYSA-N 0 0 435.886 4.653 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000033004259 557322281 /nfs/dbraw/zinc/32/22/81/557322281.db2.gz GMALGWDUSLOQKN-FQEVSTJZSA-N 0 0 429.495 4.748 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2=O)cc1Cl ZINC000033128159 557324880 /nfs/dbraw/zinc/32/48/80/557324880.db2.gz JKSPDBIUYZSVKI-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](c2cccs2)c2ccccc2)c(OC)c1 ZINC000102476782 557324962 /nfs/dbraw/zinc/32/49/62/557324962.db2.gz OBOLPEWJMJSTOW-PXDATVDWSA-N 0 0 436.577 4.808 50 0 IJAARN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccccc1CN1CCOCC1 ZINC000024379446 557325442 /nfs/dbraw/zinc/32/54/42/557325442.db2.gz DKAVADCIISLULN-VMPITWQZSA-N 0 0 438.877 4.521 50 0 IJAARN CCCCOc1ccc(/C=c2/sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000033168227 557326096 /nfs/dbraw/zinc/32/60/96/557326096.db2.gz LDWNTIBSOSDPIS-QOSRDPBLSA-N 0 0 437.952 4.701 50 0 IJAARN Cc1ccc(Cn2c(S[C@@H](C(=O)N(C)C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000014229187 557326852 /nfs/dbraw/zinc/32/68/52/557326852.db2.gz NZMQDYPUERTQNQ-HSZRJFAPSA-N 0 0 443.572 4.675 50 0 IJAARN CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)sc1C ZINC000033173895 557327121 /nfs/dbraw/zinc/32/71/21/557327121.db2.gz HJCLFNWAEZHFFG-UHFFFAOYSA-N 0 0 429.489 4.853 50 0 IJAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5ccccc5C)no4)c3C)c(C)o2)cc1 ZINC000033296922 557330409 /nfs/dbraw/zinc/33/04/09/557330409.db2.gz BZUBDDMQAOVTFJ-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN COc1ccc(Nc2nc(-c3nnn(-c4cccc(Cl)c4)c3C)ns2)cc1OC ZINC000033302128 557331354 /nfs/dbraw/zinc/33/13/54/557331354.db2.gz WUJIKXFENKBARV-UHFFFAOYSA-N 0 0 428.905 4.508 50 0 IJAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc3c(c2)OCCO3)n1 ZINC000033279919 557331548 /nfs/dbraw/zinc/33/15/48/557331548.db2.gz VDKNWNFZSLERQU-UHFFFAOYSA-N 0 0 444.491 4.729 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289086 557332342 /nfs/dbraw/zinc/33/23/42/557332342.db2.gz SVWMMYQODHQWKZ-MRXNPFEDSA-N 0 0 425.579 4.914 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1OC ZINC000102529446 557340375 /nfs/dbraw/zinc/34/03/75/557340375.db2.gz RVHYGOPETNIXDM-UHFFFAOYSA-N 0 0 443.503 4.508 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000033645725 557341211 /nfs/dbraw/zinc/34/12/11/557341211.db2.gz APMVBGQZHYDZOR-UHFFFAOYSA-N 0 0 433.593 4.945 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000024976596 557342255 /nfs/dbraw/zinc/34/22/55/557342255.db2.gz QZFNSUBEGLIUMG-UHFFFAOYSA-N 0 0 437.395 4.863 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3Cl)C(=O)C2)cc1 ZINC000102530265 557342368 /nfs/dbraw/zinc/34/23/68/557342368.db2.gz QURAMMSUCVFISG-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(SC)c3)C(=O)C2)cc1 ZINC000102530401 557342618 /nfs/dbraw/zinc/34/26/18/557342618.db2.gz IUIWWGOYYKGADD-UHFFFAOYSA-N 0 0 445.544 4.913 50 0 IJAARN CC(=O)c1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)cc1 ZINC000014609264 557344784 /nfs/dbraw/zinc/34/47/84/557344784.db2.gz HCHWTXFAGHINLA-UHFFFAOYSA-N 0 0 444.560 4.920 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 ZINC000014673212 557347705 /nfs/dbraw/zinc/34/77/05/557347705.db2.gz HKZYUKOKVOXJNA-UHFFFAOYSA-N 0 0 429.307 4.617 50 0 IJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)cc1 ZINC000023430037 557355162 /nfs/dbraw/zinc/35/51/62/557355162.db2.gz UEKAECUXSXPMSE-VWLOTQADSA-N 0 0 438.568 4.538 50 0 IJAARN CC(=O)OCc1ccc(/C=C2\C(=O)N(C(c3ccccc3)c3ccccc3)C(=S)N2C)o1 ZINC000023432917 557355665 /nfs/dbraw/zinc/35/56/65/557355665.db2.gz POZJAFZUIZKVJR-PXLXIMEGSA-N 0 0 446.528 4.532 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000025275678 557357284 /nfs/dbraw/zinc/35/72/84/557357284.db2.gz JWLHXKDKFCLHKO-CMDGGOBGSA-N 0 0 431.924 4.596 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000023438736 557357332 /nfs/dbraw/zinc/35/73/32/557357332.db2.gz HBTKKCIKVAQCRY-SFHVURJKSA-N 0 0 447.535 4.739 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000023445543 557358851 /nfs/dbraw/zinc/35/88/51/557358851.db2.gz RBCRDEJEKDWYAN-DEOSSOPVSA-N 0 0 439.458 4.779 50 0 IJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@H](C)CCc4ccccc4)c3)n2)o1 ZINC000023454440 557362192 /nfs/dbraw/zinc/36/21/92/557362192.db2.gz DILGBTXKMJYGDR-QGZVFWFLSA-N 0 0 441.535 4.859 50 0 IJAARN COc1cc(OC)c([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102704745 557366142 /nfs/dbraw/zinc/36/61/42/557366142.db2.gz HZJFKSPTKVQDIE-UPCLLVRISA-N 0 0 446.507 4.678 50 0 IJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102723822 557369224 /nfs/dbraw/zinc/36/92/24/557369224.db2.gz UZHWSKWLWRXIMO-BHIFYINESA-N 0 0 436.870 4.839 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)no1 ZINC000023649358 557370514 /nfs/dbraw/zinc/37/05/14/557370514.db2.gz FNIUGBRTHZJALU-CQSZACIVSA-N 0 0 447.944 4.615 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3ccccc3S(C)(=O)=O)ccc2OC(F)F)cc1 ZINC000023698411 557371788 /nfs/dbraw/zinc/37/17/88/557371788.db2.gz ZOIPIYXGXAOWOP-UHFFFAOYSA-N 0 0 447.459 4.619 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(Br)o1 ZINC000023731957 557372543 /nfs/dbraw/zinc/37/25/43/557372543.db2.gz CYPDYNRQXPMYEU-UHFFFAOYSA-N 0 0 436.737 4.829 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3F)N12 ZINC000102744502 557377106 /nfs/dbraw/zinc/37/71/06/557377106.db2.gz PRLBVAALQCUPCJ-LHSJRXKWSA-N 0 0 445.560 4.657 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102766449 557381329 /nfs/dbraw/zinc/38/13/29/557381329.db2.gz XQPYJQKPUOHFLY-PWRODBHTSA-N 0 0 438.405 4.757 50 0 IJAARN CCCC[C@H](CC)C(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC ZINC000103059378 557416946 /nfs/dbraw/zinc/41/69/46/557416946.db2.gz MZTANJNXNYDYAD-GJYPPUQNSA-N 0 0 446.617 4.900 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2cccs2)CC3)no1 ZINC000103083310 557418480 /nfs/dbraw/zinc/41/84/80/557418480.db2.gz OIPHBMDKBMICRI-QINSGFPZSA-N 0 0 445.500 4.875 50 0 IJAARN CCNC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)Cc1ccco1 ZINC000033621697 557424199 /nfs/dbraw/zinc/42/41/99/557424199.db2.gz CKNPGCUCUULOPY-UHFFFAOYSA-N 0 0 443.544 4.549 50 0 IJAARN COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000024481826 557424450 /nfs/dbraw/zinc/42/44/50/557424450.db2.gz IPOAIFQSVOZLRH-XSFVSMFZSA-N 0 0 438.531 4.736 50 0 IJAARN CC(C)(C)CC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000019800822 557496951 /nfs/dbraw/zinc/49/69/51/557496951.db2.gz LDQBRFRQCPXXLQ-GFCCVEGCSA-N 0 0 431.216 4.875 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3cccnc32)cc1 ZINC000046916057 557514088 /nfs/dbraw/zinc/51/40/88/557514088.db2.gz CAJMGPUJBFXLSU-UHFFFAOYSA-N 0 0 426.564 4.944 50 0 IJAARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000020027292 557514573 /nfs/dbraw/zinc/51/45/73/557514573.db2.gz RVEJJHGZVWUNLM-OAHLLOKOSA-N 0 0 436.564 4.665 50 0 IJAARN COc1cccc(OC)c1-c1cc2c(c(OC)c1)OCCN(C(=O)c1ccc(F)cc1)C2 ZINC000012035838 557524638 /nfs/dbraw/zinc/52/46/38/557524638.db2.gz AGKJCNURFXKYPV-UHFFFAOYSA-N 0 0 437.467 4.553 50 0 IJAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3C)N2C1=O ZINC000106420261 557529247 /nfs/dbraw/zinc/52/92/47/557529247.db2.gz LLPOBLKABNUVSC-YYFZDKIDSA-N 0 0 434.565 4.760 50 0 IJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105491 557534380 /nfs/dbraw/zinc/53/43/80/557534380.db2.gz XNPGRWCQDYERNJ-NRFANRHFSA-N 0 0 429.538 4.633 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000108860134 557544213 /nfs/dbraw/zinc/54/42/13/557544213.db2.gz HEFBWWKAIOBIEH-ZRGWGRIASA-N 0 0 449.473 4.942 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 ZINC000045921599 557547514 /nfs/dbraw/zinc/54/75/14/557547514.db2.gz XUCBKJZQCMFALH-FQEVSTJZSA-N 0 0 446.620 4.982 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccccc2)cc1 ZINC000045941809 557551285 /nfs/dbraw/zinc/55/12/85/557551285.db2.gz JDEWLXFBIQZMED-VWLOTQADSA-N 0 0 445.515 4.808 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)Cc3csc(-c4ccccc4F)n3)s2)cc1 ZINC000040283950 557709249 /nfs/dbraw/zinc/70/92/49/557709249.db2.gz RWFNHWQGYRYGTP-UHFFFAOYSA-N 0 0 440.525 4.581 50 0 IJAARN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000225526651 557736446 /nfs/dbraw/zinc/73/64/46/557736446.db2.gz RNROHKVHVHZSLK-GOSISDBHSA-N 0 0 434.405 4.942 50 0 IJAARN CC(C)(C)OC(=O)NCc1cc(NC(=O)[C@H]2CSCCS2)cc(C(F)(F)F)c1 ZINC000225629210 557754100 /nfs/dbraw/zinc/75/41/00/557754100.db2.gz MCTYGLBXCBYIAK-CQSZACIVSA-N 0 0 436.521 4.517 50 0 IJAARN COC(=O)c1ccc(COc2ccc3occ(C(=O)c4ccc(OC)c(OC)c4)c3c2)o1 ZINC000226847831 557809935 /nfs/dbraw/zinc/80/99/35/557809935.db2.gz PTLFCCYIQVSKNU-UHFFFAOYSA-N 0 0 436.416 4.640 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000000843534 557811309 /nfs/dbraw/zinc/81/13/09/557811309.db2.gz VZADEPCNSULOFT-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN O=S(=O)(NC[C@H](c1ccc(F)cc1F)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000238936979 557841986 /nfs/dbraw/zinc/84/19/86/557841986.db2.gz SRKRDYMEODCGPI-XMMPIXPASA-N 0 0 442.531 4.747 50 0 IJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3Br)C(C)C)n2)cc1 ZINC000238950791 557842157 /nfs/dbraw/zinc/84/21/57/557842157.db2.gz ZMQRJWOZZNPGTD-KRWDZBQOSA-N 0 0 430.302 4.635 50 0 IJAARN O=C(Cc1csc(N2CCCC2=O)n1)O[C@H]1CCCCc2c(Br)cccc21 ZINC000240786090 557845688 /nfs/dbraw/zinc/84/56/88/557845688.db2.gz IAEJCHHJAFPBNE-KRWDZBQOSA-N 0 0 449.370 4.586 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc4ccccc43)o2)c1 ZINC000000877797 557848658 /nfs/dbraw/zinc/84/86/58/557848658.db2.gz LMRLNLFIIZFBFA-UHFFFAOYSA-N 0 0 433.489 4.735 50 0 IJAARN CC(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294782 557849972 /nfs/dbraw/zinc/84/99/72/557849972.db2.gz AFJANWBPFDEJLC-VLECTGLKSA-N 0 0 446.584 4.533 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 ZINC000000949706 562919748 /nfs/dbraw/zinc/91/97/48/562919748.db2.gz XIIFFPVJZXFAJO-NRFANRHFSA-N 0 0 442.910 4.921 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 ZINC000001119942 562920593 /nfs/dbraw/zinc/92/05/93/562920593.db2.gz ZKDQUBKHXMXRRH-JLHYYAGUSA-N 0 0 447.560 4.612 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC ZINC000002096280 562925770 /nfs/dbraw/zinc/92/57/70/562925770.db2.gz LHYKSGHJGVTJEA-UHFFFAOYSA-N 0 0 449.503 4.731 50 0 biogenic IJAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)NCc3ccco3)c2c2c1CCC2 ZINC000002404514 562927453 /nfs/dbraw/zinc/92/74/53/562927453.db2.gz MYNPUNRLVWAFAP-UHFFFAOYSA-N 0 0 438.578 4.853 50 0 IJAARN O=S(=O)(c1cccs1)N1CN(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002421568 562927530 /nfs/dbraw/zinc/92/75/30/562927530.db2.gz GNQHZOZNPMYNMW-UHFFFAOYSA-N 0 0 442.953 4.518 50 0 aggregator IJAARN CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1 ZINC000002522402 562928294 /nfs/dbraw/zinc/92/82/94/562928294.db2.gz JOVICWMEELTUTD-UHFFFAOYSA-N 0 0 434.521 4.868 50 0 IJAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000002631719 562928829 /nfs/dbraw/zinc/92/88/29/562928829.db2.gz DXPOHZWEYDMVRU-QHCPKHFHSA-N 0 0 446.503 4.623 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000002938095 562930815 /nfs/dbraw/zinc/93/08/15/562930815.db2.gz JEHYFTCANSFZOE-UHFFFAOYSA-N 0 0 426.472 4.646 50 0 IJAARN O=C(/C=C/c1cccs1)OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000003274465 562933597 /nfs/dbraw/zinc/93/35/97/562933597.db2.gz APYVCRHKBYDYGZ-VOTSOKGWSA-N 0 0 449.351 4.829 50 0 IJAARN Clc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2C[C@@H]2CCCO2)cc1 ZINC000003306896 562934007 /nfs/dbraw/zinc/93/40/07/562934007.db2.gz AQSUSRHPYCLQJL-INIZCTEOSA-N 0 0 431.974 4.779 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)n2)c1 ZINC000003322919 562934221 /nfs/dbraw/zinc/93/42/21/562934221.db2.gz JLFMCPQWMKMONR-GOSISDBHSA-N 0 0 440.521 4.637 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000004101698 562941915 /nfs/dbraw/zinc/94/19/15/562941915.db2.gz ANPZRIIPBPENIC-JOCHJYFZSA-N 0 0 439.899 4.528 50 0 IJAARN COc1cc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC ZINC000008586649 562950140 /nfs/dbraw/zinc/95/01/40/562950140.db2.gz VNINBXTWLBHYLA-UHFFFAOYSA-N 0 0 427.888 5.000 50 0 IJAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000008587491 562950313 /nfs/dbraw/zinc/95/03/13/562950313.db2.gz SPWHTNKCDJCPRI-UHFFFAOYSA-N 0 0 439.515 4.912 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2[nH]c(-c3cc4ccccc4oc3=O)nc(=O)c12 ZINC000008588216 562950651 /nfs/dbraw/zinc/95/06/51/562950651.db2.gz YVORETNDVVZVEH-UHFFFAOYSA-N 0 0 443.484 4.627 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NC4CCCCC4)nc23)cc1C ZINC000008589303 562951121 /nfs/dbraw/zinc/95/11/21/562951121.db2.gz AXNBLVYOVUJVRF-UHFFFAOYSA-N 0 0 441.582 4.533 50 0 IJAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)nc2NCc2ccccc2Cl)cc1 ZINC000008590332 562951634 /nfs/dbraw/zinc/95/16/34/562951634.db2.gz FBHCZYFWYJGOOJ-UHFFFAOYSA-N 0 0 438.940 4.756 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(Cl)cc1C)nc2C ZINC000008593192 562952558 /nfs/dbraw/zinc/95/25/58/562952558.db2.gz CZNZWICJYLHEMW-UHFFFAOYSA-N 0 0 449.942 4.580 50 0 IJAARN COc1ccc(-c2nc(-c3ccc(OC)cc3)c(SCC(=O)NC3CCCC3)[nH]2)cc1 ZINC000008595065 562953307 /nfs/dbraw/zinc/95/33/07/562953307.db2.gz TWANJSPPZJPKAC-UHFFFAOYSA-N 0 0 437.565 4.912 50 0 aggregator IJAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000008595223 562953335 /nfs/dbraw/zinc/95/33/35/562953335.db2.gz RURKAQDHVRJENY-QGZVFWFLSA-N 0 0 431.923 4.860 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)c1 ZINC000008596226 562953761 /nfs/dbraw/zinc/95/37/61/562953761.db2.gz DPOIYUHZLMVJLO-UHFFFAOYSA-N 0 0 435.505 4.739 50 0 IJAARN O=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1ccccc1F ZINC000008599093 562954568 /nfs/dbraw/zinc/95/45/68/562954568.db2.gz WQTWJANEHAGKTL-UHFFFAOYSA-N 0 0 440.906 4.723 50 0 IJAARN O=C(NCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000008600630 562955120 /nfs/dbraw/zinc/95/51/20/562955120.db2.gz OLZNDEABFPLWMD-UHFFFAOYSA-N 0 0 428.389 4.568 50 0 IJAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1CCc1ccccc1 ZINC000008603851 562956105 /nfs/dbraw/zinc/95/61/05/562956105.db2.gz BYMVTDZCRVMVKV-UHFFFAOYSA-N 0 0 430.504 4.808 50 0 IJAARN Cc1cn2c(nc(COc3cccc(NC(=O)c4ccccc4Cl)c3)cc2=O)s1 ZINC000008603793 562956128 /nfs/dbraw/zinc/95/61/28/562956128.db2.gz XPJQPCMIMDFFNA-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000008604028 562956261 /nfs/dbraw/zinc/95/62/61/562956261.db2.gz BJKJIZHOMPZBSB-UHFFFAOYSA-N 0 0 446.503 4.953 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000008608996 562957580 /nfs/dbraw/zinc/95/75/80/562957580.db2.gz BMUUQCWVZZIGIR-UHFFFAOYSA-N 0 0 448.523 4.853 50 0 IJAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000008609115 562957620 /nfs/dbraw/zinc/95/76/20/562957620.db2.gz JHNFRCONYMLDAA-UHFFFAOYSA-N 0 0 431.879 4.558 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000008610192 562958086 /nfs/dbraw/zinc/95/80/86/562958086.db2.gz UAOBNOVWUUTOAB-UHFFFAOYSA-N 0 0 448.470 4.563 50 0 IJAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000008611300 562958507 /nfs/dbraw/zinc/95/85/07/562958507.db2.gz AVZWBQWRTKJWDG-UHFFFAOYSA-N 0 0 427.907 4.656 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1 ZINC000008612311 562959168 /nfs/dbraw/zinc/95/91/68/562959168.db2.gz SBAYTOFLYYSGFK-UHFFFAOYSA-N 0 0 441.553 4.577 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008613861 562959434 /nfs/dbraw/zinc/95/94/34/562959434.db2.gz FQSHJQVPMMKHNY-UHFFFAOYSA-N 0 0 445.903 4.990 50 0 IJAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1 ZINC000008614162 562959583 /nfs/dbraw/zinc/95/95/83/562959583.db2.gz AYOWALXCPABADM-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN Cc1cc(NC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)ccc1Br ZINC000008619225 562959854 /nfs/dbraw/zinc/95/98/54/562959854.db2.gz XBVHAYJSPFZLFR-UHFFFAOYSA-N 0 0 446.374 4.642 50 0 IJAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)nc12 ZINC000008673374 562961244 /nfs/dbraw/zinc/96/12/44/562961244.db2.gz PWWFFGPPWZFIFS-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000008673674 562961286 /nfs/dbraw/zinc/96/12/86/562961286.db2.gz JZKHXOKXJAMZCZ-UHFFFAOYSA-N 0 0 425.579 4.962 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008916158 562966068 /nfs/dbraw/zinc/96/60/68/562966068.db2.gz QDRMBYPVHVAIDD-UHFFFAOYSA-N 0 0 430.892 4.772 50 0 IJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NCc3ccccc3Br)o2)cc1 ZINC000009115815 562967194 /nfs/dbraw/zinc/96/71/94/562967194.db2.gz UYBAKQPCAYZXGK-HHHXNRCGSA-N 0 0 446.366 4.729 50 0 IJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccccc3OC)ccc2[C@H]1Nc1ccccc1OC ZINC000009609091 562974075 /nfs/dbraw/zinc/97/40/75/562974075.db2.gz BGMDDNFUZPRYSV-DEOSSOPVSA-N 0 0 445.519 4.933 50 0 IJAARN CCCCc1ccc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000009631316 562974370 /nfs/dbraw/zinc/97/43/70/562974370.db2.gz PAQNCIRKVOBURI-UHFFFAOYSA-N 0 0 426.007 4.742 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccccc1F ZINC000009731889 562976278 /nfs/dbraw/zinc/97/62/78/562976278.db2.gz RVWLKOOKBRJEKD-OAQYLSRUSA-N 0 0 445.454 4.613 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1C ZINC000015936563 563018875 /nfs/dbraw/zinc/01/88/75/563018875.db2.gz FXRZIOHJKQCGTA-UHFFFAOYSA-N 0 0 426.538 4.955 50 0 IJAARN O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000015942497 563019685 /nfs/dbraw/zinc/01/96/85/563019685.db2.gz HJJQNJSKLNUZHO-UHFFFAOYSA-N 0 0 432.929 4.992 50 0 IJAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022928862 568612887 /nfs/dbraw/zinc/61/28/87/568612887.db2.gz JAIXMWPKMDTQEN-GOSISDBHSA-N 0 0 447.048 4.537 50 0 IJAARN Cc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000019939366 568613318 /nfs/dbraw/zinc/61/33/18/568613318.db2.gz IJVVTEQEUNQBFC-HSZRJFAPSA-N 0 0 443.469 4.605 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(OC)ccc3nc2C)c2ccccc21 ZINC000106171424 568624987 /nfs/dbraw/zinc/62/49/87/568624987.db2.gz ZDFSZARWODGXDG-YGKZAACZSA-N 0 0 445.563 4.989 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(C)cc1 ZINC000000900768 568636036 /nfs/dbraw/zinc/63/60/36/568636036.db2.gz KPHWXFUWPONOKY-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000000904266 568636330 /nfs/dbraw/zinc/63/63/30/568636330.db2.gz ZIIQQEOHANTYNQ-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Oc1ccc(C)cc1 ZINC000000917306 568636865 /nfs/dbraw/zinc/63/68/65/568636865.db2.gz PGZAKTZUSGKKFF-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)n(-c2ccccn2)n1 ZINC000025146479 568641198 /nfs/dbraw/zinc/64/11/98/568641198.db2.gz VEUBIQDJNHGHRK-UHFFFAOYSA-N 0 0 448.429 4.642 50 0 IJAARN CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000000950274 568645000 /nfs/dbraw/zinc/64/50/00/568645000.db2.gz OHDUIJGSXBIRSW-UHFFFAOYSA-N 0 0 445.906 4.937 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cc(C)cc(C)c3)sc2c1 ZINC000000950380 568645084 /nfs/dbraw/zinc/64/50/84/568645084.db2.gz ZCSRQOVUCUDDLA-UHFFFAOYSA-N 0 0 445.610 4.976 50 0 IJAARN Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(Br)cc1 ZINC000000955229 568645723 /nfs/dbraw/zinc/64/57/23/568645723.db2.gz PKONCXUATQROAL-UHFFFAOYSA-N 0 0 441.347 4.790 50 0 IJAARN COc1cc(Br)c([C@@H](C)NC(=O)c2ccccc2Br)cc1OC ZINC000000995554 568649324 /nfs/dbraw/zinc/64/93/24/568649324.db2.gz NUZDZSJKRIQNPX-SNVBAGLBSA-N 0 0 443.135 4.720 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000000997533 568649413 /nfs/dbraw/zinc/64/94/13/568649413.db2.gz LMWSKJYQXXBDRR-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000001002437 568650725 /nfs/dbraw/zinc/65/07/25/568650725.db2.gz KXJWTQKSXUBXFN-SJORKVTESA-N 0 0 428.579 4.740 50 0 IJAARN O=C(CN(c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000001019592 568651315 /nfs/dbraw/zinc/65/13/15/568651315.db2.gz MOMASTPVBXQRCC-UHFFFAOYSA-N 0 0 448.588 4.998 50 0 IJAARN CCOc1ccc(Cn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1OCC ZINC000001074343 568656554 /nfs/dbraw/zinc/65/65/54/568656554.db2.gz BJJAAVQNFKDUPD-UHFFFAOYSA-N 0 0 448.498 4.904 50 0 IJAARN COc1ccc2c(c1)c(C(=O)N1CCN(c3ccccc3)CC1)c(C)n2-c1ccccc1 ZINC000001084621 568657501 /nfs/dbraw/zinc/65/75/01/568657501.db2.gz UAWYIXPHBLQFFA-UHFFFAOYSA-N 0 0 425.532 4.910 50 0 biogenic IJAARN CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000025437398 568657941 /nfs/dbraw/zinc/65/79/41/568657941.db2.gz ZYIYKWKAJDDAPY-SFHVURJKSA-N 0 0 434.492 4.962 50 0 IJAARN CC1(C)Cc2nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c3c(-c3ccccc3)c2C(=O)C1 ZINC000001106291 568659130 /nfs/dbraw/zinc/65/91/30/568659130.db2.gz AFLVXEALGURYPO-OAHLLOKOSA-N 0 0 449.576 4.609 50 0 IJAARN CCn1c(=S)n(CN(Cc2ccc(Br)cc2)C2CC2)nc1-c1ccncc1 ZINC000025478714 568659884 /nfs/dbraw/zinc/65/98/84/568659884.db2.gz LUMBTMZCDMEIPU-UHFFFAOYSA-N 0 0 444.402 4.881 50 0 IJAARN COc1ccccc1CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000034731100 568737604 /nfs/dbraw/zinc/73/76/04/568737604.db2.gz BMRZIOXRTCGLTR-LOSJGSFVSA-N 0 0 448.607 4.832 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NC(C)(C)C)cc1 ZINC000001214103 568739390 /nfs/dbraw/zinc/73/93/90/568739390.db2.gz ITSQEGMXFVOJJW-UHFFFAOYSA-N 0 0 436.577 4.919 50 0 IJAARN CC(C)OC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 ZINC000001785013 568739930 /nfs/dbraw/zinc/73/99/30/568739930.db2.gz UYJYFVLOMMNLMR-KRWDZBQOSA-N 0 0 439.581 4.618 50 0 IJAARN CN(Cc1cc(F)cc2cccnc21)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000031608688 568740752 /nfs/dbraw/zinc/74/07/52/568740752.db2.gz CDHCMHLQUJSVIS-UHFFFAOYSA-N 0 0 432.826 4.867 50 0 IJAARN Cc1ccc2c(c1)oc(-c1ccccc1)c(OCC(=O)c1ccc3c(c1)OCCO3)c2=O ZINC000001907488 568742253 /nfs/dbraw/zinc/74/22/53/568742253.db2.gz IHJKOAPKMKAYQO-UHFFFAOYSA-N 0 0 428.440 4.801 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1C ZINC000003355572 568747110 /nfs/dbraw/zinc/74/71/10/568747110.db2.gz SYKREAJKKUUPHP-KRWDZBQOSA-N 0 0 433.504 4.976 50 0 IJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCC1 ZINC000044088097 568747728 /nfs/dbraw/zinc/74/77/28/568747728.db2.gz ANEBWXJNXSBDAT-UHFFFAOYSA-N 0 0 429.492 4.855 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003372567 568748354 /nfs/dbraw/zinc/74/83/54/568748354.db2.gz ZQJFMVVCBZGYMH-UHFFFAOYSA-N 0 0 433.533 4.892 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccccc3)nc3ccccc3c2=O)c(C)c1 ZINC000003463594 568749773 /nfs/dbraw/zinc/74/97/73/568749773.db2.gz UPZRJTLMXJCIAH-UHFFFAOYSA-N 0 0 443.572 4.753 50 0 IJAARN O=C(C=Cc1cccc(Cl)c1)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000003583286 568751400 /nfs/dbraw/zinc/75/14/00/568751400.db2.gz AHQLXZFKGNCGKI-VAWYXSNFSA-N 0 0 438.892 4.520 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(C)C ZINC000003587914 568751419 /nfs/dbraw/zinc/75/14/19/568751419.db2.gz ZMBQAOFGCOZENM-UHFFFAOYSA-N 0 0 429.973 4.777 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(OCCC(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003637564 568752202 /nfs/dbraw/zinc/75/22/02/568752202.db2.gz APEUATQEXVUQDZ-JOCHJYFZSA-N 0 0 444.597 4.961 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(OCCC(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003637565 568752271 /nfs/dbraw/zinc/75/22/71/568752271.db2.gz APEUATQEXVUQDZ-QFIPXVFZSA-N 0 0 444.597 4.961 50 0 IJAARN O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)N(CCc1ccccc1)Cc1ccccc1 ZINC000299756606 568755509 /nfs/dbraw/zinc/75/55/09/568755509.db2.gz FJUKPTXZCVPKMB-MHZLTWQESA-N 0 0 430.548 4.523 50 0 IJAARN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCC[C@H]3C)cc2c1 ZINC000299804287 568758184 /nfs/dbraw/zinc/75/81/84/568758184.db2.gz PJQPCTCWZSQUFP-UZUQRXQVSA-N 0 0 434.588 4.958 50 0 IJAARN O=C(c1ccco1)N1CCN(c2ccc3cccc(OCc4ccc(F)cc4)c3n2)CC1 ZINC000015390719 568761372 /nfs/dbraw/zinc/76/13/72/568761372.db2.gz WDMJQQJPEFHOPS-UHFFFAOYSA-N 0 0 431.467 4.508 50 0 IJAARN COc1cc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000015391536 568761681 /nfs/dbraw/zinc/76/16/81/568761681.db2.gz MVOLKIPQAAJHBR-UHFFFAOYSA-N 0 0 449.916 4.537 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000015433799 568762165 /nfs/dbraw/zinc/76/21/65/568762165.db2.gz OMXJFOJFZZGCRP-UHFFFAOYSA-N 0 0 448.588 4.891 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc(OCC)c1OCC ZINC000005440043 568774082 /nfs/dbraw/zinc/77/40/82/568774082.db2.gz KIBIDTQGAVFLCE-UHFFFAOYSA-N 0 0 426.513 4.570 50 0 IJAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618003 568777492 /nfs/dbraw/zinc/77/74/92/568777492.db2.gz QVHUMIYUBVZFEO-GOSISDBHSA-N 0 0 446.360 4.909 50 0 IJAARN Cc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1Cl ZINC000001321063 568779992 /nfs/dbraw/zinc/77/99/92/568779992.db2.gz PTQORLAYHXLECK-ZDUSSCGKSA-N 0 0 444.988 4.605 50 0 IJAARN CC(C)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032103520 568780919 /nfs/dbraw/zinc/78/09/19/568780919.db2.gz AVKNZKQCCWOCIG-XMMPIXPASA-N 0 0 443.532 4.762 50 0 IJAARN O=C(NCCSc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000004163892 568783047 /nfs/dbraw/zinc/78/30/47/568783047.db2.gz JPYVZGJZYUUYEU-RUZDIDTESA-N 0 0 448.613 4.983 50 0 IJAARN O=C1c2c(nc(C(F)(F)F)cc2C(F)(F)F)C[C@H]2c3[nH]c4ccccc4c3CCN12 ZINC000001385045 568784257 /nfs/dbraw/zinc/78/42/57/568784257.db2.gz IVWIEIAXWFJPRF-AWEZNQCLSA-N 0 0 425.332 4.896 50 0 IJAARN O=C1COc2ccc(-c3nn(-c4cc(Cl)cc(Cl)c4)c(=O)c4ccccc43)cc2N1 ZINC000001384189 568784271 /nfs/dbraw/zinc/78/42/71/568784271.db2.gz WTVXLAPKSCEYKC-UHFFFAOYSA-N 0 0 438.270 4.690 50 0 IJAARN NC(=O)[C@@H](c1ccc(Sc2ccc(F)cc2F)nn1)c1c(Cl)cccc1Cl ZINC000001390268 568785054 /nfs/dbraw/zinc/78/50/54/568785054.db2.gz HKERPLHTDSCJFB-KRWDZBQOSA-N 0 0 426.275 4.830 50 0 IJAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000001394773 568785577 /nfs/dbraw/zinc/78/55/77/568785577.db2.gz UZPRLOJMQORKTQ-UHFFFAOYSA-N 0 0 427.457 4.559 50 0 IJAARN O=C1C[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)N1c1ccc(Cl)cc1F ZINC000001397399 568785752 /nfs/dbraw/zinc/78/57/52/568785752.db2.gz ZFDRLBJSLWNNAK-GFCCVEGCSA-N 0 0 439.217 4.971 50 0 IJAARN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(SCc1cccc(Cl)c1)=N2 ZINC000001399096 568785859 /nfs/dbraw/zinc/78/58/59/568785859.db2.gz LHBWMVSBWHZMHN-LJQANCHMSA-N 0 0 443.956 4.905 50 0 IJAARN O=C(Nc1cc2c(n(Cc3cccc(Cl)c3)c1=O)CCCC2=O)c1cccc(Cl)c1 ZINC000001401820 568786460 /nfs/dbraw/zinc/78/64/60/568786460.db2.gz BLJNHCAAQXFDHO-UHFFFAOYSA-N 0 0 441.314 4.975 50 0 IJAARN O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Br)cc1 ZINC000002502467 568791796 /nfs/dbraw/zinc/79/17/96/568791796.db2.gz IUKCLSUKAWWQSM-UHFFFAOYSA-N 0 0 434.340 4.626 50 0 IJAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1 ZINC000016730785 568792535 /nfs/dbraw/zinc/79/25/35/568792535.db2.gz RNBFIMSDGINLFN-RCCKNPSSSA-N 0 0 445.544 4.989 50 0 IJAARN CCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2cc(-c3ccccc3)nn2)n1 ZINC000001422299 568793380 /nfs/dbraw/zinc/79/33/80/568793380.db2.gz JRWCFKKNJVSKEQ-UHFFFAOYSA-N 0 0 435.491 4.988 50 0 IJAARN Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1C ZINC000010041672 568794998 /nfs/dbraw/zinc/79/49/98/568794998.db2.gz XDZOESCLANRZKN-XMMPIXPASA-N 0 0 435.907 4.854 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cc2c(cc1Br)OCCO2 ZINC000019204459 568795267 /nfs/dbraw/zinc/79/52/67/568795267.db2.gz ILYAVBYHTVWHRN-UHFFFAOYSA-N 0 0 437.340 4.587 50 0 IJAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2C1 ZINC000084169399 568795340 /nfs/dbraw/zinc/79/53/40/568795340.db2.gz GNQPFBKHGQVKPU-SFHVURJKSA-N 0 0 425.598 4.785 50 0 IJAARN O=C(CCn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1c(Cl)cccc1Cl ZINC000015525277 568796487 /nfs/dbraw/zinc/79/64/87/568796487.db2.gz RVVNLNNLUYQFAE-UHFFFAOYSA-N 0 0 430.217 4.695 50 0 IJAARN Cc1cnn(CC(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)c1 ZINC000084265126 568796524 /nfs/dbraw/zinc/79/65/24/568796524.db2.gz GHZIRAJMHDXATJ-UHFFFAOYSA-N 0 0 429.249 4.540 50 0 IJAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000084525332 568798287 /nfs/dbraw/zinc/79/82/87/568798287.db2.gz ZPNDXSOHWIKOKE-HXUWFJFHSA-N 0 0 442.302 4.660 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000015671336 568802851 /nfs/dbraw/zinc/80/28/51/568802851.db2.gz PZZCESYBAYTWGX-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN CC[C@@H](C)N1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678238 568804738 /nfs/dbraw/zinc/80/47/38/568804738.db2.gz QRPFDNWGUGONFH-CJAUYULYSA-N 0 0 425.573 4.990 50 0 IJAARN COc1cc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc(OC)c1 ZINC000015720985 568811905 /nfs/dbraw/zinc/81/19/05/568811905.db2.gz JUJSGZJCGDFPGD-HSZRJFAPSA-N 0 0 434.467 4.569 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000015733748 568816108 /nfs/dbraw/zinc/81/61/08/568816108.db2.gz IJSOJHMIYDNEGZ-UHFFFAOYSA-N 0 0 426.538 4.831 50 0 IJAARN CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)N(CC)CC)ccc3c2=O)cc1 ZINC000001448076 568817496 /nfs/dbraw/zinc/81/74/96/568817496.db2.gz SSWONBRNDQJBEL-UHFFFAOYSA-N 0 0 425.437 4.603 50 0 IJAARN C[C@H](C(=O)NN1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085421614 568819640 /nfs/dbraw/zinc/81/96/40/568819640.db2.gz YPIZXQYGXDYESF-CYBMUJFWSA-N 0 0 435.330 4.761 50 0 IJAARN COc1ccc(-c2ccnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c(OC)c1 ZINC000085425756 568819674 /nfs/dbraw/zinc/81/96/74/568819674.db2.gz APYOGPZEMOBHEH-UHFFFAOYSA-N 0 0 444.457 4.506 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000013009747 568821773 /nfs/dbraw/zinc/82/17/73/568821773.db2.gz IPDIKYZZGALEOJ-UHFFFAOYSA-N 0 0 442.523 4.982 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c1 ZINC000085568852 568825333 /nfs/dbraw/zinc/82/53/33/568825333.db2.gz KRUBAKRBYQSLEO-UHFFFAOYSA-N 0 0 442.968 4.964 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)o1)c1ccccc1 ZINC000085643790 568829048 /nfs/dbraw/zinc/82/90/48/568829048.db2.gz IEJOAQIWWAUXNB-UHFFFAOYSA-N 0 0 434.395 4.989 50 0 IJAARN CCc1ccc(NC(=O)CN2c3cc(C(=O)OC)ccc3Sc3ccccc3C2=O)cc1 ZINC000015784940 568829806 /nfs/dbraw/zinc/82/98/06/568829806.db2.gz SONNHRYWBUXDEJ-UHFFFAOYSA-N 0 0 446.528 4.786 50 0 IJAARN CCOc1ccccc1CNC(=O)C[C@@H]1COc2cc(C)ccc2N1Cc1ccccc1 ZINC000085648746 568830737 /nfs/dbraw/zinc/83/07/37/568830737.db2.gz SRAZBQSUZGGLCZ-HSZRJFAPSA-N 0 0 430.548 4.868 50 0 IJAARN COc1cc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc(OC)c1OC ZINC000085650246 568830904 /nfs/dbraw/zinc/83/09/04/568830904.db2.gz BWIOTURZSVZQLV-UHFFFAOYSA-N 0 0 429.498 4.652 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2ccc(OC)cc2)c1C ZINC000085711608 568835771 /nfs/dbraw/zinc/83/57/71/568835771.db2.gz XFTCSEIDLFGYSE-UHFFFAOYSA-N 0 0 434.536 4.702 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 ZINC000001474765 568836606 /nfs/dbraw/zinc/83/66/06/568836606.db2.gz BYRTXIKIAYSMBJ-UHFFFAOYSA-N 0 0 430.961 4.557 50 0 IJAARN CC[C@]1(C(=O)c2ccc(C)cc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(C)=O ZINC000101792784 568837236 /nfs/dbraw/zinc/83/72/36/568837236.db2.gz GXPZHEYBUXDVJB-QIJUGHKUSA-N 0 0 427.294 4.628 50 0 IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3ccsc3)CC(=O)O4)c2=O)cc1 ZINC000085879448 568839192 /nfs/dbraw/zinc/83/91/92/568839192.db2.gz MQZJLPUHVZXFGV-MRXNPFEDSA-N 0 0 434.469 4.980 50 0 biogenic IJAARN COc1cnc(CSc2nccc(C)n2)cc1OCC(=O)Nc1cccc2ccccc21 ZINC000015824395 568840399 /nfs/dbraw/zinc/84/03/99/568840399.db2.gz JTAOTKWMXMCRPX-UHFFFAOYSA-N 0 0 446.532 4.652 50 0 IJAARN COC(=O)CCSc1c2cc(F)ccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015828738 568841242 /nfs/dbraw/zinc/84/12/42/568841242.db2.gz DMIUYBVKSNVSGX-UHFFFAOYSA-N 0 0 439.917 4.515 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NCCCn1ccnc1)c1ccccc1 ZINC000006131616 568844999 /nfs/dbraw/zinc/84/49/99/568844999.db2.gz CIGGXHYQKWDCBN-UHFFFAOYSA-N 0 0 442.928 4.527 50 0 IJAARN C[C@@H](NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccc(-n2ccnc2)cc1 ZINC000006143766 568845895 /nfs/dbraw/zinc/84/58/95/568845895.db2.gz GTHNIOFPGVTREK-GFCCVEGCSA-N 0 0 428.275 4.777 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccccc4)c3=O)nc2C)c1 ZINC000015858744 568846583 /nfs/dbraw/zinc/84/65/83/568846583.db2.gz JQPMCJSTYAYWMJ-UHFFFAOYSA-N 0 0 446.532 4.697 50 0 IJAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000006161560 568848859 /nfs/dbraw/zinc/84/88/59/568848859.db2.gz SOQODRRBEBGGSI-UHFFFAOYSA-N 0 0 432.343 4.556 50 0 IJAARN COc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000015863625 568849242 /nfs/dbraw/zinc/84/92/42/568849242.db2.gz PIRUGUSPAXZRLD-UHFFFAOYSA-N 0 0 431.492 4.626 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2nccs2)cc1 ZINC000015864404 568849935 /nfs/dbraw/zinc/84/99/35/568849935.db2.gz QSHBPCMLMXODKO-UHFFFAOYSA-N 0 0 435.484 4.654 50 0 IJAARN Cn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000015870554 568851908 /nfs/dbraw/zinc/85/19/08/568851908.db2.gz KVCHCAZCDKKYSL-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN Cn1c(CCc2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)nc2ccccc21 ZINC000015870534 568851987 /nfs/dbraw/zinc/85/19/87/568851987.db2.gz WRAXSZJVLFWXKQ-UHFFFAOYSA-N 0 0 443.931 4.952 50 0 IJAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026121188 568852259 /nfs/dbraw/zinc/85/22/59/568852259.db2.gz BYTZYYJPFFARJY-UHFFFAOYSA-N 0 0 426.948 4.713 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(Br)cc1F ZINC000015880582 568854882 /nfs/dbraw/zinc/85/48/82/568854882.db2.gz WQXVJSHVPKPLJW-UHFFFAOYSA-N 0 0 449.305 4.870 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1cccc(Br)c1 ZINC000015880568 568854958 /nfs/dbraw/zinc/85/49/58/568854958.db2.gz FYZQRFZXQWDVDI-UHFFFAOYSA-N 0 0 431.315 4.731 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 ZINC000015883233 568857417 /nfs/dbraw/zinc/85/74/17/568857417.db2.gz SGKVMSMSAJVDQS-UHFFFAOYSA-N 0 0 438.911 4.759 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000002382574 568859451 /nfs/dbraw/zinc/85/94/51/568859451.db2.gz UHYCVEDLXBEKPC-XMMPIXPASA-N 0 0 428.488 4.749 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000016000580 568862288 /nfs/dbraw/zinc/86/22/88/568862288.db2.gz AVXNEERVFPSCEX-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN O=C(N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2cccs2)CCCC1 ZINC000575414895 568862476 /nfs/dbraw/zinc/86/24/76/568862476.db2.gz PGMAIPORBSQORO-GOSISDBHSA-N 0 0 438.014 4.602 50 0 IJAARN Cc1cc(OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000016042375 568868331 /nfs/dbraw/zinc/86/83/31/568868331.db2.gz ZOLCSTLPKCEHCB-GOSISDBHSA-N 0 0 443.540 4.825 50 0 IJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016043268 568868475 /nfs/dbraw/zinc/86/84/75/568868475.db2.gz NXPZNUXKWLSULU-LUNWYWMZSA-N 0 0 448.522 4.642 50 0 biogenic IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2ccccc2F)sc2c1CC[C@H](C)C2 ZINC000016043674 568868590 /nfs/dbraw/zinc/86/85/90/568868590.db2.gz KBGJNWWIRMBKQY-GJZGRUSLSA-N 0 0 432.561 4.648 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(OC)c1 ZINC000016047491 568868834 /nfs/dbraw/zinc/86/88/34/568868834.db2.gz FKHNMWVHQLJYJP-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000016050414 568869326 /nfs/dbraw/zinc/86/93/26/568869326.db2.gz FXFXUZOZQQZUQO-ROUUACIJSA-N 0 0 432.520 4.857 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000016047989 568869375 /nfs/dbraw/zinc/86/93/75/568869375.db2.gz VXZRJJILCVCRSG-UHFFFAOYSA-N 0 0 433.313 4.545 50 0 IJAARN O=C(Cc1ccc(Br)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478149 568882671 /nfs/dbraw/zinc/88/26/71/568882671.db2.gz JXRBURSQGKZZEU-UHFFFAOYSA-N 0 0 444.304 4.587 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 ZINC000575620241 568882925 /nfs/dbraw/zinc/88/29/25/568882925.db2.gz RZDSTLSJUUNBDU-FQEVSTJZSA-N 0 0 432.911 4.825 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)Cc3csc4ccccc34)n(C)n2)c1 ZINC000575622454 568883240 /nfs/dbraw/zinc/88/32/40/568883240.db2.gz YURVSJNSMTXUDT-OAHLLOKOSA-N 0 0 435.549 4.680 50 0 IJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000010421100 568884469 /nfs/dbraw/zinc/88/44/69/568884469.db2.gz UKIBKPANSPTGRS-UHFFFAOYSA-N 0 0 429.549 4.976 50 0 IJAARN CN(C)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC000102451868 568885389 /nfs/dbraw/zinc/88/53/89/568885389.db2.gz IELUKTONTTYAND-OWBHPGMISA-N 0 0 438.886 4.759 50 0 IJAARN O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016400835 568887914 /nfs/dbraw/zinc/88/79/14/568887914.db2.gz VIFWRNGQMHAWMB-UHFFFAOYSA-N 0 0 425.120 4.801 50 0 IJAARN Cc1csc(SCC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000090608160 568891017 /nfs/dbraw/zinc/89/10/17/568891017.db2.gz NXHOKHFUAWPXTL-UHFFFAOYSA-N 0 0 436.546 4.663 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1 ZINC000006348620 568893312 /nfs/dbraw/zinc/89/33/12/568893312.db2.gz IEBHDAIVIYGGGS-QHCPKHFHSA-N 0 0 435.549 4.558 50 0 IJAARN COc1ccccc1NC(=O)Cc1nc(CSc2ccc(NC(C)=O)cc2)cs1 ZINC000012983924 568895427 /nfs/dbraw/zinc/89/54/27/568895427.db2.gz ICCOTKFUSMATHU-UHFFFAOYSA-N 0 0 427.551 4.584 50 0 IJAARN COc1ccc(Cl)cc1CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012986242 568895743 /nfs/dbraw/zinc/89/57/43/568895743.db2.gz UXASLFCISHUCQI-UHFFFAOYSA-N 0 0 425.941 4.946 50 0 IJAARN COc1ccc(Cl)cc1-c1nn(CN(C)Cc2nc3ccccc3s2)c(=S)[nH]1 ZINC000012990356 568896375 /nfs/dbraw/zinc/89/63/75/568896375.db2.gz JRBOFVVQBSIIRI-UHFFFAOYSA-N 0 0 431.974 4.969 50 0 IJAARN CCOc1cc(/C=C/C(=O)Nc2ccc(OCc3nccn3C)cc2)cc(Cl)c1OC ZINC000040134888 568896643 /nfs/dbraw/zinc/89/66/43/568896643.db2.gz CPRSNOQWJLUMIC-BJMVGYQFSA-N 0 0 441.915 4.712 50 0 IJAARN CCOc1cc(CN(CC(=O)N2c3ccccc3C[C@@H]2C)C2CC2)ccc1OC(F)F ZINC000016419312 568896800 /nfs/dbraw/zinc/89/68/00/568896800.db2.gz JLBHOBOCXAYYDJ-INIZCTEOSA-N 0 0 430.495 4.629 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2OCC)n1 ZINC000013008928 568899768 /nfs/dbraw/zinc/89/97/68/568899768.db2.gz PESOPNOASZLGRQ-OAHLLOKOSA-N 0 0 436.537 4.973 50 0 IJAARN Cc1c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cnn1-c1cccc(C(F)(F)F)c1 ZINC000013014794 568901305 /nfs/dbraw/zinc/90/13/05/568901305.db2.gz SQVRFPIYHRDFND-CQSZACIVSA-N 0 0 445.441 4.738 50 0 IJAARN COc1cccc(-c2noc(CSCC(=O)Nc3ccc(C)cc3Br)n2)c1 ZINC000013020847 568902240 /nfs/dbraw/zinc/90/22/40/568902240.db2.gz CSQARMPROVIVAO-UHFFFAOYSA-N 0 0 448.342 4.688 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Br)cc4)c(=O)c23)C1 ZINC000001784992 568907485 /nfs/dbraw/zinc/90/74/85/568907485.db2.gz BPNCURRXFOYNOZ-CYBMUJFWSA-N 0 0 432.387 4.815 50 0 IJAARN C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000240203798 568911836 /nfs/dbraw/zinc/91/18/36/568911836.db2.gz JTNXADANTWLGDK-HKQJZWTQSA-N 0 0 430.475 4.631 50 0 IJAARN CCCCN1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254817 568913553 /nfs/dbraw/zinc/91/35/53/568913553.db2.gz CFQMZJGTRPLWLR-MLCQCVOFSA-N 0 0 448.950 4.598 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000001816401 568915369 /nfs/dbraw/zinc/91/53/69/568915369.db2.gz DLBIHCIXSRUTLA-ATVHPVEESA-N 0 0 442.924 4.828 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)cc1 ZINC000064370087 568920015 /nfs/dbraw/zinc/92/00/15/568920015.db2.gz VAABCNCHBOBKFF-UHFFFAOYSA-N 0 0 437.550 4.551 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1sc2ncccc2c1N ZINC000064370092 568920068 /nfs/dbraw/zinc/92/00/68/568920068.db2.gz GFKORWKFXDHAHB-UHFFFAOYSA-N 0 0 438.582 4.505 50 0 IJAARN COc1cc(CCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1 ZINC000016500528 568920385 /nfs/dbraw/zinc/92/03/85/568920385.db2.gz OFRFNECKGAHIAK-UHFFFAOYSA-N 0 0 441.531 4.806 50 0 IJAARN CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000001965146 568923991 /nfs/dbraw/zinc/92/39/91/568923991.db2.gz XNDQLWIOYLSGMT-UHFFFAOYSA-N 0 0 442.544 4.860 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCSC2=N1 ZINC000016613807 568925895 /nfs/dbraw/zinc/92/58/95/568925895.db2.gz PZNLDRBOJYZCDP-HXUWFJFHSA-N 0 0 443.613 4.994 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCSC2=N1 ZINC000016613808 568925913 /nfs/dbraw/zinc/92/59/13/568925913.db2.gz PZNLDRBOJYZCDP-FQEVSTJZSA-N 0 0 443.613 4.994 50 0 IJAARN Cc1nn(-c2cccc(C)c2C)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000064450212 568929163 /nfs/dbraw/zinc/92/91/63/568929163.db2.gz NMPYKWYKDOYFGB-QGZVFWFLSA-N 0 0 438.325 4.869 50 0 IJAARN CC(C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccc(F)c1 ZINC000016653616 568929568 /nfs/dbraw/zinc/92/95/68/568929568.db2.gz DJCHSYCCHBYILS-UHFFFAOYSA-N 0 0 445.487 4.783 50 0 IJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(N(C)C)cc3)c2cc1OC ZINC000064474065 568930223 /nfs/dbraw/zinc/93/02/23/568930223.db2.gz VAQOGNDLDJFTQF-UHFFFAOYSA-N 0 0 434.540 4.688 50 0 IJAARN CCc1ccccc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000064473153 568930316 /nfs/dbraw/zinc/93/03/16/568930316.db2.gz LHBLOLONLFATNF-UHFFFAOYSA-N 0 0 431.515 4.933 50 0 IJAARN CCc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064558041 568931913 /nfs/dbraw/zinc/93/19/13/568931913.db2.gz WWRAPDUDLBSOMA-HSZRJFAPSA-N 0 0 447.556 4.884 50 0 IJAARN CCc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)cc1 ZINC000064565854 568932660 /nfs/dbraw/zinc/93/26/60/568932660.db2.gz FBCWOHCCGBBLGR-UHFFFAOYSA-N 0 0 438.959 4.943 50 0 IJAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(Cc1ccco1)C(=O)NC(C)(C)C ZINC000035945306 568932690 /nfs/dbraw/zinc/93/26/90/568932690.db2.gz YHCFMPYUVUOFBO-UHFFFAOYSA-N 0 0 438.528 4.701 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000064605348 568939454 /nfs/dbraw/zinc/93/94/54/568939454.db2.gz NNFODBURSYFSBR-UHFFFAOYSA-N 0 0 446.551 4.575 50 0 IJAARN CCCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2cc(C)ccc2C)CC1 ZINC000064622695 568941740 /nfs/dbraw/zinc/94/17/40/568941740.db2.gz RAXMVXXMINKKHS-UHFFFAOYSA-N 0 0 430.556 4.589 50 0 IJAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccc(F)cc1 ZINC000064676320 568943911 /nfs/dbraw/zinc/94/39/11/568943911.db2.gz XKAIDNBWQFFGND-UHFFFAOYSA-N 0 0 444.329 4.823 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccccc2F)nc2c3cccnc3sc2c1=O ZINC000064699751 568944278 /nfs/dbraw/zinc/94/42/78/568944278.db2.gz LXCNKESBBVQJHE-UHFFFAOYSA-N 0 0 442.541 4.676 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064699709 568944350 /nfs/dbraw/zinc/94/43/50/568944350.db2.gz PRGUGDNNKZTXSV-UHFFFAOYSA-N 0 0 442.541 4.676 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2cccc(OC)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065517 568945270 /nfs/dbraw/zinc/94/52/70/568945270.db2.gz YTBSUBCSEFTBGG-UHFFFAOYSA-N 0 0 447.457 4.654 50 0 IJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072416 568946070 /nfs/dbraw/zinc/94/60/70/568946070.db2.gz ZPQLIDWIELTESJ-UHFFFAOYSA-N 0 0 431.458 4.680 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O ZINC000064746871 568949606 /nfs/dbraw/zinc/94/96/06/568949606.db2.gz XCJMYYMGPVRUHY-UHFFFAOYSA-N 0 0 426.929 4.532 50 0 IJAARN Cc1cc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2-c2ccccn2)ccc1F ZINC000064757946 568952148 /nfs/dbraw/zinc/95/21/48/568952148.db2.gz NGWQRUXSMWQIJB-UHFFFAOYSA-N 0 0 429.499 4.830 50 0 IJAARN CCOc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1 ZINC000064775028 568954307 /nfs/dbraw/zinc/95/43/07/568954307.db2.gz WNDVEVLVWNGZIH-UHFFFAOYSA-N 0 0 432.505 4.635 50 0 IJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1OC ZINC000036114119 568955127 /nfs/dbraw/zinc/95/51/27/568955127.db2.gz ROERHQCWOFEQED-UHFFFAOYSA-N 0 0 440.565 4.636 50 0 IJAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1 ZINC000036115999 568955374 /nfs/dbraw/zinc/95/53/74/568955374.db2.gz OTVYXXLCMVHGLY-OAQYLSRUSA-N 0 0 449.016 4.801 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(Cl)c4C)c(=O)n23)c1 ZINC000064787933 568956246 /nfs/dbraw/zinc/95/62/46/568956246.db2.gz TYRVBBYHWCAJBQ-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000036120224 568957140 /nfs/dbraw/zinc/95/71/40/568957140.db2.gz LSRAZVYCMVWCHU-JOCHJYFZSA-N 0 0 442.625 4.846 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000006705653 568957325 /nfs/dbraw/zinc/95/73/25/568957325.db2.gz ZKNUDKVTXREGGT-QFIPXVFZSA-N 0 0 426.488 4.541 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)c3ccccc3C)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791256 568957336 /nfs/dbraw/zinc/95/73/36/568957336.db2.gz LTUWPUPHMXUSAJ-UHFFFAOYSA-N 0 0 436.475 4.766 50 0 IJAARN COc1ccc(CN2C(=O)C[C@@H](c3ccccc3F)C(C(=O)OC(C)(C)C)=C2C)cc1 ZINC000006705479 568957484 /nfs/dbraw/zinc/95/74/84/568957484.db2.gz RKUFSYLWBHXUDT-FQEVSTJZSA-N 0 0 425.500 4.966 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](C)CC ZINC000036121148 568957795 /nfs/dbraw/zinc/95/77/95/568957795.db2.gz LAHJHYAHLVGOGA-LAUBAEHRSA-N 0 0 446.588 4.677 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)C1CC1 ZINC000036121939 568957978 /nfs/dbraw/zinc/95/79/78/568957978.db2.gz WGQGNMXLZKKRPZ-RXVVDRJESA-N 0 0 440.609 4.598 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C1CC1 ZINC000036121940 568958056 /nfs/dbraw/zinc/95/80/56/568958056.db2.gz WGQGNMXLZKKRPZ-WIYYLYMNSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C(=O)CC(C)C)C1CC1 ZINC000036122011 568958138 /nfs/dbraw/zinc/95/81/38/568958138.db2.gz LKZQHQCEAJRIAY-NRFANRHFSA-N 0 0 440.609 4.598 50 0 IJAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C1CC1 ZINC000006709102 568958796 /nfs/dbraw/zinc/95/87/96/568958796.db2.gz OXARJRUDKDMKAS-KRWDZBQOSA-N 0 0 425.548 4.927 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000064794625 568960130 /nfs/dbraw/zinc/96/01/30/568960130.db2.gz OMRBSCHGJFWEPL-OAHLLOKOSA-N 0 0 441.557 4.747 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000064801033 568960756 /nfs/dbraw/zinc/96/07/56/568960756.db2.gz TXXDDBKWHFVCFF-UHFFFAOYSA-N 0 0 445.567 4.915 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)cc1OC ZINC000064800942 568961476 /nfs/dbraw/zinc/96/14/76/568961476.db2.gz DMWCOPLCBRVQCD-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c1 ZINC000036152634 568963651 /nfs/dbraw/zinc/96/36/51/568963651.db2.gz XQDXLKXWLPJJOO-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccc(F)cc3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817410 568964540 /nfs/dbraw/zinc/96/45/40/568964540.db2.gz OPXVCTYXWZHVLK-UHFFFAOYSA-N 0 0 426.492 4.540 50 0 IJAARN CCC(=O)N1CCS[C@@]12c1cc(OC)ccc1N(Cc1ccc(C(C)(C)C)cc1)C2=O ZINC000036166103 568968607 /nfs/dbraw/zinc/96/86/07/568968607.db2.gz UIPYQSVHORFJOA-RUZDIDTESA-N 0 0 438.593 4.678 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(F)c(Cl)c3)no2)cc1 ZINC000064840474 568969909 /nfs/dbraw/zinc/96/99/09/568969909.db2.gz BCIVJFMAXRRWIE-UHFFFAOYSA-N 0 0 432.883 4.710 50 0 IJAARN CCc1ccccc1NC(=O)[C@H](CC)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842605 568971041 /nfs/dbraw/zinc/97/10/41/568971041.db2.gz RGJBIRAJEZKIKP-FQEVSTJZSA-N 0 0 446.507 4.521 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC ZINC000064847833 568971287 /nfs/dbraw/zinc/97/12/87/568971287.db2.gz ZQSRGMYGIOBABX-HNNXBMFYSA-N 0 0 445.947 4.876 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000064848008 568971410 /nfs/dbraw/zinc/97/14/10/568971410.db2.gz HKOXZOSDAXXPDK-MRXNPFEDSA-N 0 0 441.503 4.521 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc4ccccc43)c2)on1 ZINC000064866334 568974493 /nfs/dbraw/zinc/97/44/93/568974493.db2.gz RVSAQDATSKXVEO-UHFFFAOYSA-N 0 0 434.517 4.914 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(Cl)ccc2OC)=Nc2ccccc2N1 ZINC000064869526 568976135 /nfs/dbraw/zinc/97/61/35/568976135.db2.gz OKAQBKJHVCTCFQ-UHFFFAOYSA-N 0 0 445.928 4.623 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccccc1F ZINC000064869595 568976332 /nfs/dbraw/zinc/97/63/32/568976332.db2.gz PFDGXKVMFWXDLA-LJQANCHMSA-N 0 0 427.501 4.879 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)c(F)c2)=Nc2ccccc2N1 ZINC000064869711 568976345 /nfs/dbraw/zinc/97/63/45/568976345.db2.gz PPZAHPQETGGKCD-UHFFFAOYSA-N 0 0 431.464 4.629 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1Cl ZINC000064872712 568978120 /nfs/dbraw/zinc/97/81/20/568978120.db2.gz GCKOVUHGMIRJON-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889497 568980446 /nfs/dbraw/zinc/98/04/46/568980446.db2.gz QHBLXQPHLGZONA-UHFFFAOYSA-N 0 0 442.441 4.595 50 0 IJAARN COc1cc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000036246326 568981686 /nfs/dbraw/zinc/98/16/86/568981686.db2.gz WZHUDHWRPKYZDX-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000036246349 568981745 /nfs/dbraw/zinc/98/17/45/568981745.db2.gz VPHOYGWJAFVTTQ-UHFFFAOYSA-N 0 0 429.513 4.855 50 0 IJAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246343 568981762 /nfs/dbraw/zinc/98/17/62/568981762.db2.gz QQLPXLNEUZKDEG-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1cccc(N([C@@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000036246838 568981992 /nfs/dbraw/zinc/98/19/92/568981992.db2.gz QGPAWKKJLKXBAK-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN COc1cccc(N(Cc2cc(OC)cc(OC)c2)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247402 568982200 /nfs/dbraw/zinc/98/22/00/568982200.db2.gz ZCSAVVSLESAQHQ-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@H](C)c2cccc(C)c2)cc1 ZINC000036247730 568982406 /nfs/dbraw/zinc/98/24/06/568982406.db2.gz IQFFMSCASQHWFE-GOSISDBHSA-N 0 0 441.549 4.977 50 0 IJAARN CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036249146 568982989 /nfs/dbraw/zinc/98/29/89/568982989.db2.gz AGKIHXFCXPYLTN-UHFFFAOYSA-N 0 0 437.515 4.616 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036249386 568983222 /nfs/dbraw/zinc/98/32/22/568983222.db2.gz DTLGTSGJERIZSY-SFHVURJKSA-N 0 0 437.515 4.758 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1Cl ZINC000064928940 568987257 /nfs/dbraw/zinc/98/72/57/568987257.db2.gz RQXHDOKYCRZHIE-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929101 568987420 /nfs/dbraw/zinc/98/74/20/568987420.db2.gz GXLHEHGHSWNPAS-SIKLNZKXSA-N 0 0 432.543 4.637 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1Cl ZINC000064929081 568987443 /nfs/dbraw/zinc/98/74/43/568987443.db2.gz WNGWJQOCKSDSBG-MRXNPFEDSA-N 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569000212 /nfs/dbraw/zinc/00/02/12/569000212.db2.gz BVPMNNZIYNEKSK-UHFFFAOYSA-N 0 0 426.835 4.866 50 0 IJAARN O=S(=O)(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000064969534 569076135 /nfs/dbraw/zinc/07/61/35/569076135.db2.gz JDOZPMUKPABJLO-UHFFFAOYSA-N 0 0 444.988 4.694 50 0 IJAARN Cc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)cc1C ZINC000064977688 569077584 /nfs/dbraw/zinc/07/75/84/569077584.db2.gz KNTYMWROCLGTPJ-UHFFFAOYSA-N 0 0 428.536 4.505 50 0 IJAARN Cc1cc(C)cc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000064977689 569077594 /nfs/dbraw/zinc/07/75/94/569077594.db2.gz BXHGWUSUOJQWLQ-UHFFFAOYSA-N 0 0 428.536 4.505 50 0 IJAARN CCCN1c2ccc(NC(=O)[C@H](C)NC(=O)c3ccco3)cc2Sc2ccccc2C1=O ZINC000064979745 569078242 /nfs/dbraw/zinc/07/82/42/569078242.db2.gz VTKFSLXIPPSLJJ-HNNXBMFYSA-N 0 0 449.532 4.558 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036341225 569079145 /nfs/dbraw/zinc/07/91/45/569079145.db2.gz SBIOFNVOLKZEDO-VWLOTQADSA-N 0 0 431.511 4.644 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccc(Br)cc4)cc32)c1 ZINC000064990088 569083133 /nfs/dbraw/zinc/08/31/33/569083133.db2.gz UXKNETDZGDVIDI-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)c3ccccc3Br)cc21 ZINC000064990008 569083166 /nfs/dbraw/zinc/08/31/66/569083166.db2.gz YMGMRHDGUQYENT-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccccc4Cl)ccc3C[C@H]2C)cc1 ZINC000064990244 569083251 /nfs/dbraw/zinc/08/32/51/569083251.db2.gz FYJZMLFINWFIMQ-MRXNPFEDSA-N 0 0 434.923 4.870 50 0 IJAARN CCOc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990555 569083345 /nfs/dbraw/zinc/08/33/45/569083345.db2.gz HIXDJEFQRHQVPZ-GOSISDBHSA-N 0 0 429.520 4.998 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)NCc3cccc(Cl)c3)c2C1 ZINC000065000752 569086050 /nfs/dbraw/zinc/08/60/50/569086050.db2.gz PHESWVQHJFWVAU-UHFFFAOYSA-N 0 0 434.923 4.576 50 0 IJAARN Cc1ccc(C)c(N(C)C(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000673 569086064 /nfs/dbraw/zinc/08/60/64/569086064.db2.gz AYIMHHZOFZQGSW-UHFFFAOYSA-N 0 0 428.532 4.886 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000644 569086077 /nfs/dbraw/zinc/08/60/77/569086077.db2.gz XVOZRYVIFOBQCP-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000064999609 569086148 /nfs/dbraw/zinc/08/61/48/569086148.db2.gz PIDBYPZDPJBGQR-UHFFFAOYSA-N 0 0 444.553 4.981 50 0 IJAARN O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999532 569086182 /nfs/dbraw/zinc/08/61/82/569086182.db2.gz LZPYPSCZBZZMJP-UHFFFAOYSA-N 0 0 430.526 4.591 50 0 IJAARN Cc1ccc(-c2ccc(NCc3cccs3)nn2)cc1S(=O)(=O)N1CCCCCC1 ZINC000065009537 569088037 /nfs/dbraw/zinc/08/80/37/569088037.db2.gz FSACVHJMMHKUDB-UHFFFAOYSA-N 0 0 442.610 4.690 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1Cl ZINC000065023209 569089164 /nfs/dbraw/zinc/08/91/64/569089164.db2.gz PWUPOEPBMZGUJG-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023370 569089169 /nfs/dbraw/zinc/08/91/69/569089169.db2.gz VFENINMEPLFYGQ-NRFANRHFSA-N 0 0 432.593 4.707 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023183 569089211 /nfs/dbraw/zinc/08/92/11/569089211.db2.gz MAKJVGKMJWBUGS-HNNXBMFYSA-N 0 0 428.870 4.930 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023556 569089376 /nfs/dbraw/zinc/08/93/76/569089376.db2.gz QINUUXFHSOSVQA-NRFANRHFSA-N 0 0 448.542 4.604 50 0 IJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccc(OC)c4OC)cc3)ccc21 ZINC000065026890 569089985 /nfs/dbraw/zinc/08/99/85/569089985.db2.gz LEOIKUOYXSWFFD-UHFFFAOYSA-N 0 0 444.531 4.600 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)cc(OCC(N)=O)c3c2)cc1 ZINC000065034010 569091764 /nfs/dbraw/zinc/09/17/64/569091764.db2.gz OGDBSWLPEHYTLF-UHFFFAOYSA-N 0 0 445.906 4.980 50 0 IJAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1Cl ZINC000065034985 569092424 /nfs/dbraw/zinc/09/24/24/569092424.db2.gz UQBIAPHRCOEMRK-UHFFFAOYSA-N 0 0 434.298 4.692 50 0 IJAARN CSc1ccc(-c2noc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)n2)cc1 ZINC000169759004 569094067 /nfs/dbraw/zinc/09/40/67/569094067.db2.gz AAZWZQDWLNTTCG-QGZVFWFLSA-N 0 0 425.901 4.642 50 0 IJAARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)Nc1cccnc1 ZINC000065052355 569094759 /nfs/dbraw/zinc/09/47/59/569094759.db2.gz KYSYQWRCHWQNHQ-UHFFFAOYSA-N 0 0 433.309 4.878 50 0 IJAARN CCCc1nn(-c2cccc(C)c2)c(CCC)c1C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000006872752 569094763 /nfs/dbraw/zinc/09/47/63/569094763.db2.gz WNKQUHKUTAVMQY-IBGZPJMESA-N 0 0 425.573 4.501 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065058949 569095245 /nfs/dbraw/zinc/09/52/45/569095245.db2.gz KCPKORGZECKLDI-OAQYLSRUSA-N 0 0 448.336 4.539 50 0 IJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000065058724 569095516 /nfs/dbraw/zinc/09/55/16/569095516.db2.gz XPYDPQDSTRBOJU-JOCHJYFZSA-N 0 0 433.474 4.964 50 0 IJAARN CCN1c2cc(C(=O)NCc3ccc(F)cc3Cl)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766477 569097670 /nfs/dbraw/zinc/09/76/70/569097670.db2.gz XSYIGXIZSIRKFD-OAQYLSRUSA-N 0 0 429.923 4.591 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)s3)no2)cc1 ZINC000065062951 569097797 /nfs/dbraw/zinc/09/77/97/569097797.db2.gz CPORXCFVIXTKNY-UHFFFAOYSA-N 0 0 448.523 4.875 50 0 IJAARN Cc1ccccc1C1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2ccc3nccnc3c2)C1 ZINC000036393649 569098586 /nfs/dbraw/zinc/09/85/86/569098586.db2.gz ZSIUGBCAOXAPBY-DEOSSOPVSA-N 0 0 446.507 4.617 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1cc(C)cc(C)c1 ZINC000065075132 569099386 /nfs/dbraw/zinc/09/93/86/569099386.db2.gz QKOCHBPMWZSBJN-MHZLTWQESA-N 0 0 428.532 4.590 50 0 IJAARN Cc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(F)cc5)CC4)csc3n2)cc1C ZINC000065079696 569100952 /nfs/dbraw/zinc/10/09/52/569100952.db2.gz WEBOJKOGKMHYBN-UHFFFAOYSA-N 0 0 448.567 4.710 50 0 IJAARN Cc1cccc(N2CCN(C(=O)Cc3csc4nc(-c5ccccc5)cn34)CC2)c1C ZINC000065079206 569101122 /nfs/dbraw/zinc/10/11/22/569101122.db2.gz HEMZBECLSAMTJA-UHFFFAOYSA-N 0 0 430.577 4.571 50 0 IJAARN Cc1nn(-c2cccc(F)c2)c2nc(N3CCC[C@H](C(=O)NC4CCCCC4)C3)sc12 ZINC000065081187 569101301 /nfs/dbraw/zinc/10/13/01/569101301.db2.gz RODVVKNISQAONG-INIZCTEOSA-N 0 0 441.576 4.595 50 0 IJAARN CCCN(C(=O)CCn1cnc2ccccc2c1=O)[C@@H](C)c1ccccc1Br ZINC000036398543 569101449 /nfs/dbraw/zinc/10/14/49/569101449.db2.gz JXHPBFGITBBMPO-INIZCTEOSA-N 0 0 442.357 4.549 50 0 IJAARN O=C(NCCc1ccco1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772751 569101716 /nfs/dbraw/zinc/10/17/16/569101716.db2.gz LFCUHEACIIQUOB-XMMPIXPASA-N 0 0 428.532 4.691 50 0 IJAARN CSc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2ccncc2)cc1 ZINC000065082911 569102501 /nfs/dbraw/zinc/10/25/01/569102501.db2.gz BDUQHBDMEOYLRA-UHFFFAOYSA-N 0 0 429.549 4.598 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 ZINC000065096472 569103501 /nfs/dbraw/zinc/10/35/01/569103501.db2.gz PTFMOFLZXWFHOI-UHFFFAOYSA-N 0 0 429.867 4.904 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nc3)n2)cc1 ZINC000065097836 569103923 /nfs/dbraw/zinc/10/39/23/569103923.db2.gz NVLMRFJWAIAAJA-UHFFFAOYSA-N 0 0 447.926 4.787 50 0 IJAARN CC(=O)c1ccc(N2CCN(c3ccc(-c4nc(-c5cccc(C)c5)no4)cn3)CC2)cc1 ZINC000065097882 569104077 /nfs/dbraw/zinc/10/40/77/569104077.db2.gz JUIOPKLCNVGFQZ-UHFFFAOYSA-N 0 0 439.519 4.636 50 0 IJAARN O=S(=O)(NCCCc1ccccc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098061 569104551 /nfs/dbraw/zinc/10/45/51/569104551.db2.gz NGTMOVYAHYEVLB-UHFFFAOYSA-N 0 0 443.525 4.515 50 0 IJAARN CCc1nc(-c2cccc(-c3noc([C@H]4CC(=O)N(c5ccc(OC)cc5)C4)n3)c2)cs1 ZINC000065098234 569104683 /nfs/dbraw/zinc/10/46/83/569104683.db2.gz CMANAMZFBLUWTA-KRWDZBQOSA-N 0 0 446.532 4.952 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000065099290 569105052 /nfs/dbraw/zinc/10/50/52/569105052.db2.gz UNVFHCTWESHKOI-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000065115807 569106888 /nfs/dbraw/zinc/10/68/88/569106888.db2.gz VSBDUMGPSVPVET-UHFFFAOYSA-N 0 0 433.917 4.679 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000065115852 569106961 /nfs/dbraw/zinc/10/69/61/569106961.db2.gz ZIKIIIJPXGMWDD-UHFFFAOYSA-N 0 0 437.880 4.510 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000065116337 569107318 /nfs/dbraw/zinc/10/73/18/569107318.db2.gz HDYZLJSZPGNTAU-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000065116316 569107337 /nfs/dbraw/zinc/10/73/37/569107337.db2.gz FCZMAIMHMSTRCV-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000065116335 569107350 /nfs/dbraw/zinc/10/73/50/569107350.db2.gz HEIDHNCFEPUYLL-UHFFFAOYSA-N 0 0 441.553 4.897 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)NC2CCCCCCC2)c1 ZINC000065116268 569107380 /nfs/dbraw/zinc/10/73/80/569107380.db2.gz SAMYTLOXIXVYTQ-UHFFFAOYSA-N 0 0 433.574 4.562 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4C)CC3)no2)c1 ZINC000065112040 569107950 /nfs/dbraw/zinc/10/79/50/569107950.db2.gz ZXVXIVSEOQIVHU-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]12 ZINC000169793456 569108158 /nfs/dbraw/zinc/10/81/58/569108158.db2.gz ADXHWHNXIYLIKJ-CTNGQTDRSA-N 0 0 432.486 4.604 50 0 IJAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000065136911 569110412 /nfs/dbraw/zinc/11/04/12/569110412.db2.gz VVOWHRXGPDURLU-SFHVURJKSA-N 0 0 429.948 4.689 50 0 IJAARN O=S(=O)(NCCC1=CCCCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000065137906 569110520 /nfs/dbraw/zinc/11/05/20/569110520.db2.gz YGOLYCBLENCBDA-UHFFFAOYSA-N 0 0 427.501 4.712 50 0 IJAARN COc1ccccc1-c1nc([C@H]2CCCN(C(=O)c3ccccc3Br)C2)no1 ZINC000065149496 569110963 /nfs/dbraw/zinc/11/09/63/569110963.db2.gz JIGAQAOWUOWNKF-AWEZNQCLSA-N 0 0 442.313 4.528 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000065153827 569112193 /nfs/dbraw/zinc/11/21/93/569112193.db2.gz GXPUOFYQYXDKNT-UHFFFAOYSA-N 0 0 438.487 4.943 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)cc(-c2nc(C(C)C)no2)c2ccccc21 ZINC000065154372 569112201 /nfs/dbraw/zinc/11/22/01/569112201.db2.gz OYVULNBGAIXAGY-UHFFFAOYSA-N 0 0 436.899 4.775 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)c(Cl)c1 ZINC000065154375 569112232 /nfs/dbraw/zinc/11/22/32/569112232.db2.gz RPPNRHUQDQEFFN-UHFFFAOYSA-N 0 0 436.899 4.775 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc1 ZINC000065153968 569112241 /nfs/dbraw/zinc/11/22/41/569112241.db2.gz PTPCNNYFPBIPEV-UHFFFAOYSA-N 0 0 427.439 4.555 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@](O)(c4cccc(F)c4)C3=O)c(C)o2)cc1 ZINC000065155218 569112487 /nfs/dbraw/zinc/11/24/87/569112487.db2.gz ILPUVOOBLZDTAB-AREMUKBSSA-N 0 0 444.462 4.580 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000036480297 569113746 /nfs/dbraw/zinc/11/37/46/569113746.db2.gz BZTHQELGQGOTPY-KBPBESRZSA-N 0 0 438.391 4.544 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3cc(C)cc(C)c3)cccn12 ZINC000065185249 569114130 /nfs/dbraw/zinc/11/41/30/569114130.db2.gz VIKDTNRRIIMEQO-UHFFFAOYSA-N 0 0 448.592 4.921 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)s1 ZINC000065178474 569114351 /nfs/dbraw/zinc/11/43/51/569114351.db2.gz HGLLUPOWYVWJFP-LJQANCHMSA-N 0 0 426.582 4.614 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)cc1)N1CCCC1 ZINC000065178759 569114513 /nfs/dbraw/zinc/11/45/13/569114513.db2.gz VYXCIKOJPIEGJN-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN COc1cc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1 ZINC000065218974 569117321 /nfs/dbraw/zinc/11/73/21/569117321.db2.gz KAGFYBYUOLLHEW-UHFFFAOYSA-N 0 0 435.505 4.972 50 0 IJAARN CCOCCCN(Cc1ccco1)C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007001129 569117456 /nfs/dbraw/zinc/11/74/56/569117456.db2.gz SHZOWEYEUSYLBD-UHFFFAOYSA-N 0 0 425.529 4.711 50 0 IJAARN CC[C@@H](NC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1)c1ccc(OC)cc1 ZINC000065229615 569118258 /nfs/dbraw/zinc/11/82/58/569118258.db2.gz IRLVUZJGRZMSMC-JOCHJYFZSA-N 0 0 434.540 4.538 50 0 IJAARN Cc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)sc1C(=O)NCc1cccc(C)c1 ZINC000065233032 569119091 /nfs/dbraw/zinc/11/90/91/569119091.db2.gz RLBLTRLSIYFYMQ-UHFFFAOYSA-N 0 0 431.920 4.664 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)cc1 ZINC000065241429 569120946 /nfs/dbraw/zinc/12/09/46/569120946.db2.gz JKJWRADVFHXDAE-UHFFFAOYSA-N 0 0 447.516 4.640 50 0 IJAARN Fc1ccc(CN2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c(Cl)c1 ZINC000065257952 569124206 /nfs/dbraw/zinc/12/42/06/569124206.db2.gz LXRSNHZMEMGGDQ-UHFFFAOYSA-N 0 0 427.911 4.514 50 0 IJAARN Cc1ccccc1N1CCN(c2nnc(-c3nnc(C4CCC4)o3)c3ccccc32)CC1 ZINC000065258236 569124343 /nfs/dbraw/zinc/12/43/43/569124343.db2.gz IDYXOOLRPIUCRD-UHFFFAOYSA-N 0 0 426.524 4.582 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1cc(C)nc2ncnn21 ZINC000036619066 569124542 /nfs/dbraw/zinc/12/45/42/569124542.db2.gz IKKYRDLMYNGMPZ-UHFFFAOYSA-N 0 0 449.536 4.714 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(C)nc3ncnn32)sc(C)c1-c1ccc(C)c(C)c1 ZINC000036619301 569124664 /nfs/dbraw/zinc/12/46/64/569124664.db2.gz XUWNVDPPDOBYHJ-UHFFFAOYSA-N 0 0 449.536 4.515 50 0 IJAARN Cc1cc(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 ZINC000013129553 569125349 /nfs/dbraw/zinc/12/53/49/569125349.db2.gz HIVWCCWHHMNTKO-UHFFFAOYSA-N 0 0 436.291 4.858 50 0 IJAARN O=C(CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000013131574 569125384 /nfs/dbraw/zinc/12/53/84/569125384.db2.gz ZVWMQNCKJIXXHI-UHFFFAOYSA-N 0 0 435.405 4.688 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1Cc1ccc(F)cc1 ZINC000013163440 569125761 /nfs/dbraw/zinc/12/57/61/569125761.db2.gz COOYKIZFOIZBTE-UHFFFAOYSA-N 0 0 448.567 4.987 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524731989 569126766 /nfs/dbraw/zinc/12/67/66/569126766.db2.gz SATGNERLOOPTKU-HSZRJFAPSA-N 0 0 429.520 4.593 50 0 biogenic IJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1ccc(Br)cc1 ZINC000065272500 569129084 /nfs/dbraw/zinc/12/90/84/569129084.db2.gz UXDPNVVBUYWGGF-UHFFFAOYSA-N 0 0 437.297 4.543 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)cc1 ZINC000065297723 569131843 /nfs/dbraw/zinc/13/18/43/569131843.db2.gz IFWKTMDQHZUQHT-UHFFFAOYSA-N 0 0 439.537 4.701 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)c1 ZINC000065297687 569131858 /nfs/dbraw/zinc/13/18/58/569131858.db2.gz HVPRKWLZPPMXFK-UHFFFAOYSA-N 0 0 439.537 4.701 50 0 IJAARN CCC(CC)C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2cccc(C)c2)CC1 ZINC000065299928 569132280 /nfs/dbraw/zinc/13/22/80/569132280.db2.gz MZPIKQHRFCJXPQ-UHFFFAOYSA-N 0 0 425.602 4.620 50 0 IJAARN COc1ccc(-c2cc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 ZINC000036709740 569135832 /nfs/dbraw/zinc/13/58/32/569135832.db2.gz APDWOVVCAMXJMB-UHFFFAOYSA-N 0 0 435.427 4.782 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccccc2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000036709665 569135845 /nfs/dbraw/zinc/13/58/45/569135845.db2.gz XBRVQCJUNGZTFB-UHFFFAOYSA-N 0 0 439.899 4.931 50 0 IJAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000065320699 569136268 /nfs/dbraw/zinc/13/62/68/569136268.db2.gz MMBPPIFBAITQGE-HXUWFJFHSA-N 0 0 425.554 4.868 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000065320911 569136342 /nfs/dbraw/zinc/13/63/42/569136342.db2.gz UYMSPOCGYXXXKO-KRWDZBQOSA-N 0 0 437.443 4.590 50 0 IJAARN COC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc(C)c(Br)c2)cc1 ZINC000065323362 569136994 /nfs/dbraw/zinc/13/69/94/569136994.db2.gz ZGYUATMSDLZGAN-UHFFFAOYSA-N 0 0 437.297 4.997 50 0 IJAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000036791510 569138064 /nfs/dbraw/zinc/13/80/64/569138064.db2.gz UJZIAROXAAROBD-VIFPVBQESA-N 0 0 430.217 4.865 50 0 IJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000065512523 569138980 /nfs/dbraw/zinc/13/89/80/569138980.db2.gz GJPUVIKJDSUTGT-LJQANCHMSA-N 0 0 427.522 4.598 50 0 IJAARN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cs1 ZINC000065562977 569139199 /nfs/dbraw/zinc/13/91/99/569139199.db2.gz SZYUUFSAOOPVHV-UHFFFAOYSA-N 0 0 436.512 4.736 50 0 IJAARN CN(C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1)C(=O)OC(C)(C)C ZINC000065578223 569139860 /nfs/dbraw/zinc/13/98/60/569139860.db2.gz SAUPVZDLFWXVAQ-NRFANRHFSA-N 0 0 438.568 4.985 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000037187829 569140708 /nfs/dbraw/zinc/14/07/08/569140708.db2.gz YECTYCRZIGMMHR-VWLOTQADSA-N 0 0 427.504 4.671 50 0 IJAARN COc1ccc(C)cc1-c1csc(NC(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000170600158 569142731 /nfs/dbraw/zinc/14/27/31/569142731.db2.gz ZAHGYHQTXOVNNK-AWEZNQCLSA-N 0 0 431.558 4.569 50 0 IJAARN COc1ccc(CCn2c(C)cc(C(=O)Cn3c4ccsc4c(=O)cc3C)c2C)cc1 ZINC000170609001 569144856 /nfs/dbraw/zinc/14/48/56/569144856.db2.gz MWAHLYTXHPTNMV-UHFFFAOYSA-N 0 0 434.561 4.924 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1 ZINC000170610178 569145164 /nfs/dbraw/zinc/14/51/64/569145164.db2.gz FFCAFZTWVBFCCO-UHFFFAOYSA-N 0 0 427.508 4.575 50 0 IJAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000037276679 569145341 /nfs/dbraw/zinc/14/53/41/569145341.db2.gz GITFYRNFSYXQMS-QGZVFWFLSA-N 0 0 427.976 4.515 50 0 IJAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000037276552 569145359 /nfs/dbraw/zinc/14/53/59/569145359.db2.gz GOJGFEYBCNYNDJ-NRFANRHFSA-N 0 0 441.575 4.885 50 0 IJAARN Cc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000037280337 569145824 /nfs/dbraw/zinc/14/58/24/569145824.db2.gz FPQVZHCIBRGHFJ-VWLOTQADSA-N 0 0 434.580 4.556 50 0 IJAARN Cc1ccc([C@H]2c3ccccc3NC(=O)CN2C(=O)c2cccc(Br)c2)cc1 ZINC000170612680 569146148 /nfs/dbraw/zinc/14/61/48/569146148.db2.gz URLIWVAHLRCVSV-QFIPXVFZSA-N 0 0 435.321 4.941 50 0 IJAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H](c1nccs1)c1ccccc1 ZINC000170621217 569147552 /nfs/dbraw/zinc/14/75/52/569147552.db2.gz HVEKWAZAOJJQHM-AEFFLSMTSA-N 0 0 429.954 4.505 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000009882624 569149746 /nfs/dbraw/zinc/14/97/46/569149746.db2.gz SFZKGXMTASYRSC-UHFFFAOYSA-N 0 0 449.580 4.801 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000009882668 569149822 /nfs/dbraw/zinc/14/98/22/569149822.db2.gz SILQVSVXEWMWKZ-UHFFFAOYSA-N 0 0 444.459 4.542 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)c2cc1C(C)C ZINC000009884201 569150295 /nfs/dbraw/zinc/15/02/95/569150295.db2.gz WUAIDWSSOGEYOY-AREMUKBSSA-N 0 0 430.504 4.508 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nc2sc(C)c(C)c2c1=O ZINC000010023873 569151418 /nfs/dbraw/zinc/15/14/18/569151418.db2.gz PNBUMJZCLNKQFJ-ZDUSSCGKSA-N 0 0 447.626 4.695 50 0 IJAARN O=C(CSc1nnc(NCc2ccccc2)s1)N1CCS[C@@H]1c1ccccc1F ZINC000010025408 569151546 /nfs/dbraw/zinc/15/15/46/569151546.db2.gz ZOFBKNGWVACKPX-GOSISDBHSA-N 0 0 446.598 4.656 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000010220029 569152836 /nfs/dbraw/zinc/15/28/36/569152836.db2.gz CJVZOJSVFGTEBU-QHCPKHFHSA-N 0 0 438.549 4.701 50 0 IJAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2c1 ZINC000013321311 569154983 /nfs/dbraw/zinc/15/49/83/569154983.db2.gz FJEZPBUAMOVKTG-UHFFFAOYSA-N 0 0 442.544 4.897 50 0 IJAARN O=C(Nc1ccc(S[C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1)C1CC1 ZINC000013578966 569156040 /nfs/dbraw/zinc/15/60/40/569156040.db2.gz UKKFTDCACICUHA-INIZCTEOSA-N 0 0 435.332 4.766 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000014127527 569157836 /nfs/dbraw/zinc/15/78/36/569157836.db2.gz ZWZRNRRSQXKGCB-KRWDZBQOSA-N 0 0 428.838 4.674 50 0 IJAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000014289751 569158558 /nfs/dbraw/zinc/15/85/58/569158558.db2.gz WFJQRSYCRDLQMM-UNMCSNQZSA-N 0 0 443.547 4.584 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3OC)nn2-c2ccccc2)cc1 ZINC000014609792 569159472 /nfs/dbraw/zinc/15/94/72/569159472.db2.gz UHBYHZIMGHIJJE-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)OCc1nc(-c2ccsc2)no1 ZINC000014672279 569161764 /nfs/dbraw/zinc/16/17/64/569161764.db2.gz HCRRTAZZGIEMFT-CMDGGOBGSA-N 0 0 434.521 4.725 50 0 IJAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1OC ZINC000016841091 569163241 /nfs/dbraw/zinc/16/32/41/569163241.db2.gz UIHSXWKLWBNXAK-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2cc(Cl)ccc2F)cc1 ZINC000089797690 569164018 /nfs/dbraw/zinc/16/40/18/569164018.db2.gz BUDMVZJJXWFENV-UHFFFAOYSA-N 0 0 426.875 4.807 50 0 IJAARN O=C1NC2(CCCCCC2)C(=O)N1CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000089807156 569165127 /nfs/dbraw/zinc/16/51/27/569165127.db2.gz JYRYAOKLGVFJQH-UHFFFAOYSA-N 0 0 447.004 4.731 50 0 IJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000089814035 569165138 /nfs/dbraw/zinc/16/51/38/569165138.db2.gz RSOHOQZATVIQFK-HXUWFJFHSA-N 0 0 445.947 4.538 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2-c2ccccc2)cc1 ZINC000089927519 569167639 /nfs/dbraw/zinc/16/76/39/569167639.db2.gz SGEIJBRQASHRBR-ROUUACIJSA-N 0 0 436.581 4.825 50 0 IJAARN COc1cc(Br)c(CCNC(=O)Cc2coc3c2ccc(C)c3C)cc1OC ZINC000016965567 569168299 /nfs/dbraw/zinc/16/82/99/569168299.db2.gz SMYYUHMNKOQDGP-UHFFFAOYSA-N 0 0 446.341 4.731 50 0 IJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000016991320 569169591 /nfs/dbraw/zinc/16/95/91/569169591.db2.gz IKCLGFZVKPZQFT-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(NC(N)=O)c(OC)c2)cc(-c2ccccc2)c1OC ZINC000089990929 569170199 /nfs/dbraw/zinc/17/01/99/569170199.db2.gz LLOQOORBGJPNGB-UHFFFAOYSA-N 0 0 435.480 4.512 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037355935 569171201 /nfs/dbraw/zinc/17/12/01/569171201.db2.gz APLJIUXJLQZSMN-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)C[C@H]2C)cc1 ZINC000037356065 569171397 /nfs/dbraw/zinc/17/13/97/569171397.db2.gz USOZWFBGVLOCRK-GOSISDBHSA-N 0 0 436.943 4.890 50 0 IJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(Br)cc2)CCS3)cc1 ZINC000017051234 569171890 /nfs/dbraw/zinc/17/18/90/569171890.db2.gz ZUSLVRMZYNAFRZ-UHFFFAOYSA-N 0 0 428.355 4.657 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000937759 569176305 /nfs/dbraw/zinc/17/63/05/569176305.db2.gz WSDSKUTZIVYHIL-OAHLLOKOSA-N 0 0 430.932 4.817 50 0 IJAARN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000935799 569176345 /nfs/dbraw/zinc/17/63/45/569176345.db2.gz PVUNHXVFYGQORS-UHFFFAOYSA-N 0 0 444.409 4.984 50 0 IJAARN CCOc1cc(CO)cc(I)c1OCc1cccc2ccccc21 ZINC000001113386 569176750 /nfs/dbraw/zinc/17/67/50/569176750.db2.gz IDTGANHWZMFTMP-UHFFFAOYSA-N 0 0 434.273 4.914 50 0 IJAARN CC1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(F)cc3F)n2)CC1 ZINC000037359549 569177701 /nfs/dbraw/zinc/17/77/01/569177701.db2.gz PIJJLVVLUSIIPH-UHFFFAOYSA-N 0 0 434.494 4.638 50 0 IJAARN O=C1OCCN1c1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 ZINC000170637266 569178294 /nfs/dbraw/zinc/17/82/94/569178294.db2.gz PTBWCTBDJTXFAF-UHFFFAOYSA-N 0 0 429.881 4.731 50 0 IJAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1 ZINC000002093429 569178989 /nfs/dbraw/zinc/17/89/89/569178989.db2.gz KTIRBLVXQUYOFW-IGKIAQTJSA-N 0 0 441.575 4.919 50 0 biogenic IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002095908 569179330 /nfs/dbraw/zinc/17/93/30/569179330.db2.gz BSNCZPVZRHAGLL-LJQANCHMSA-N 0 0 437.492 4.719 50 0 biogenic IJAARN CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 ZINC000002096337 569179457 /nfs/dbraw/zinc/17/94/57/569179457.db2.gz QRAYIYGWOHUYFL-NRFANRHFSA-N 0 0 437.492 4.746 50 0 biogenic IJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@@H](C)c3ccccc3)CC(=O)N21 ZINC000002108435 569181734 /nfs/dbraw/zinc/18/17/34/569181734.db2.gz IQFIOUOQMISOIJ-TVIOGVOPSA-N 0 0 449.554 4.922 50 0 biogenic IJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccc(C)cc4)N3C2=O)cc1 ZINC000002122846 569183583 /nfs/dbraw/zinc/18/35/83/569183583.db2.gz FMLIWRBWDKUAGV-UKILVPOCSA-N 0 0 437.499 4.968 50 0 biogenic IJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3nc(-c4ccc(OC)cc4)cs3)nc2c1 ZINC000252497454 569187982 /nfs/dbraw/zinc/18/79/82/569187982.db2.gz QIFKRCNALYCNAR-UHFFFAOYSA-N 0 0 440.550 4.825 50 0 IJAARN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(N[C@@H]3CCN(C)C3=O)cc2)CC1 ZINC000252510592 569188599 /nfs/dbraw/zinc/18/85/99/569188599.db2.gz AMSKQXNRAOUFKZ-SXSPYAJSSA-N 0 0 439.987 4.781 50 0 IJAARN O=C(c1cccc(F)c1)N1CCN(c2nc(-c3ccco3)nc3cc(Cl)ccc32)CC1 ZINC000037382880 569192033 /nfs/dbraw/zinc/19/20/33/569192033.db2.gz DDJATWBBSARILO-UHFFFAOYSA-N 0 0 436.874 4.645 50 0 IJAARN CCC[C@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037396777 569193047 /nfs/dbraw/zinc/19/30/47/569193047.db2.gz WVQBZLGENKKDDA-XMMPIXPASA-N 0 0 430.527 4.861 50 0 IJAARN O=C(C1CCC1)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C1CC1 ZINC000037424125 569195585 /nfs/dbraw/zinc/19/55/85/569195585.db2.gz KGOLADFYOYIVGZ-UHFFFAOYSA-N 0 0 437.920 4.538 50 0 IJAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CC(C)C)C(=O)c1ccccc1F ZINC000037422931 569195605 /nfs/dbraw/zinc/19/56/05/569195605.db2.gz VFFYQODRNSJSHX-UHFFFAOYSA-N 0 0 427.925 4.506 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)cs2)c1 ZINC000037427333 569195921 /nfs/dbraw/zinc/19/59/21/569195921.db2.gz DJHPQYVQWKQYOW-MRXNPFEDSA-N 0 0 438.528 4.825 50 0 IJAARN COc1ccc(-c2csc(N(c3ccc(OC)cc3)[C@@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037439254 569196419 /nfs/dbraw/zinc/19/64/19/569196419.db2.gz BFQQHORNWIHWRP-KRWDZBQOSA-N 0 0 437.565 4.976 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3cccc(F)c3)=NO2)C(=O)c2ccccc2F)c1 ZINC000037441579 569196802 /nfs/dbraw/zinc/19/68/02/569196802.db2.gz CALBKWKLUVNSOZ-NRFANRHFSA-N 0 0 436.458 4.809 50 0 IJAARN CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524272 569198614 /nfs/dbraw/zinc/19/86/14/569198614.db2.gz VNJWTMBKNJVQDL-KRWDZBQOSA-N 0 0 427.976 4.513 50 0 IJAARN O=C(NCc1ccccc1)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037523741 569198698 /nfs/dbraw/zinc/19/86/98/569198698.db2.gz HBVOMGFGJSSUGW-UHFFFAOYSA-N 0 0 447.966 4.669 50 0 IJAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000037525180 569198967 /nfs/dbraw/zinc/19/89/67/569198967.db2.gz HFNPKIHWEKDRTF-UHFFFAOYSA-N 0 0 445.563 4.513 50 0 IJAARN CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000037525150 569198974 /nfs/dbraw/zinc/19/89/74/569198974.db2.gz KFTHQXLCLBNNFY-UHFFFAOYSA-N 0 0 439.987 4.611 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(Br)cc21 ZINC000037542699 569199474 /nfs/dbraw/zinc/19/94/74/569199474.db2.gz JATHOJBHSZFXRV-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CCCC1 ZINC000037546751 569200185 /nfs/dbraw/zinc/20/01/85/569200185.db2.gz DUPGYNQVUJPUHQ-UHFFFAOYSA-N 0 0 429.442 4.945 50 0 IJAARN CC(C)(C)CC(=O)N1CCCN(c2nc3ccccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000037554779 569200465 /nfs/dbraw/zinc/20/04/65/569200465.db2.gz VNUDLKZNYBFCGB-UHFFFAOYSA-N 0 0 448.615 4.800 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)NCc1ccc(F)cc1 ZINC000037555538 569200604 /nfs/dbraw/zinc/20/06/04/569200604.db2.gz BKARKFVIUSCMAF-UHFFFAOYSA-N 0 0 434.486 4.767 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000037557317 569200706 /nfs/dbraw/zinc/20/07/06/569200706.db2.gz YAHFXUNIVCOWGE-VWLOTQADSA-N 0 0 442.559 4.680 50 0 IJAARN Cc1cccc(Cn2cnc3c2c(=O)n(CCC(C)C)c(=O)n3-c2ccc(C(C)C)cc2)c1 ZINC000037560187 569201105 /nfs/dbraw/zinc/20/11/05/569201105.db2.gz WCSQLFPVVUBBTE-UHFFFAOYSA-N 0 0 444.579 4.875 50 0 IJAARN Cc1ccc(CN(C(=O)C2CC2)c2cccc(CC(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000037601003 569202271 /nfs/dbraw/zinc/20/22/71/569202271.db2.gz ZEIXQYCCEUUCBP-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccco2)c1 ZINC000037600784 569202277 /nfs/dbraw/zinc/20/22/77/569202277.db2.gz WRZCANAMNDKDEN-UHFFFAOYSA-N 0 0 437.515 4.792 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2 ZINC000037601372 569202377 /nfs/dbraw/zinc/20/23/77/569202377.db2.gz FBLGGGJMDSEJST-DQEYMECFSA-N 0 0 434.580 4.563 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2 ZINC000037601374 569202401 /nfs/dbraw/zinc/20/24/01/569202401.db2.gz FBLGGGJMDSEJST-LOSJGSFVSA-N 0 0 434.580 4.563 50 0 IJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000027496429 569215830 /nfs/dbraw/zinc/21/58/30/569215830.db2.gz VQUOBFXGTNHICE-GZTJUZNOSA-N 0 0 433.327 4.954 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(Br)cc2)oc1N1CCCCC1)c1ccccc1 ZINC000003042867 569211249 /nfs/dbraw/zinc/21/12/49/569211249.db2.gz JARSIOZLSCDVEO-UHFFFAOYSA-N 0 0 447.354 4.927 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002693748 569212555 /nfs/dbraw/zinc/21/25/55/569212555.db2.gz DPEKMQQVWWFVBJ-UHFFFAOYSA-N 0 0 435.476 4.755 50 0 IJAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)ccc2s1 ZINC000003187479 569213257 /nfs/dbraw/zinc/21/32/57/569213257.db2.gz JMWCTWIDGZNURV-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN CCCCOc1ccc(C2=N/C(=C\c3cccc(I)c3)C(=O)O2)cc1 ZINC000027470125 569213887 /nfs/dbraw/zinc/21/38/87/569213887.db2.gz CDFUHDBBQNKYIM-AQTBWJFISA-N 0 0 447.272 4.815 50 0 IJAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(C)cc4)n21)CCCC3 ZINC000002262271 569215905 /nfs/dbraw/zinc/21/59/05/569215905.db2.gz BEZSAVOGYLHBBN-UHFFFAOYSA-N 0 0 437.594 4.819 50 0 IJAARN COc1cccc(C(=O)N/C(=C\c2ccccc2OC)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000027521811 569218866 /nfs/dbraw/zinc/21/88/66/569218866.db2.gz SDCQSWVFYJRDNU-QNGOZBTKSA-N 0 0 436.895 4.767 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000027528019 569263460 /nfs/dbraw/zinc/26/34/60/569263460.db2.gz OIZWQWRJJKULQY-OUKQBFOZSA-N 0 0 431.879 4.509 50 0 IJAARN CCCNC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002303861 569271502 /nfs/dbraw/zinc/27/15/02/569271502.db2.gz UEYAXHBVTVPNBD-SCZZXKLOSA-N 0 0 437.285 4.507 50 0 IJAARN CCCSc1nc2ccc(I)cc2c(=O)n1-c1cccc(C)c1 ZINC000002331830 569274668 /nfs/dbraw/zinc/27/46/68/569274668.db2.gz NVIILMKLXMVCOG-UHFFFAOYSA-N 0 0 436.318 4.801 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n(C)c(=O)c2c1C ZINC000002337148 569274884 /nfs/dbraw/zinc/27/48/84/569274884.db2.gz RHBZPTQYYFUKGW-UHFFFAOYSA-N 0 0 428.366 4.649 50 0 IJAARN CCc1cccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)c1 ZINC000002360973 569286856 /nfs/dbraw/zinc/28/68/56/569286856.db2.gz KMMJXTHJJINIOQ-UHFFFAOYSA-N 0 0 427.533 4.710 50 0 IJAARN CCCCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3Cl)nn2c1=O ZINC000002371807 569289122 /nfs/dbraw/zinc/28/91/22/569289122.db2.gz YEEPPHOTCJOWLG-RGEXLXHISA-N 0 0 425.941 4.588 50 0 IJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002375157 569289273 /nfs/dbraw/zinc/28/92/73/569289273.db2.gz NHNLAJPTNUKKFF-QGZVFWFLSA-N 0 0 447.915 4.630 50 0 IJAARN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(SC/C=C/c1ccccc1)=N2 ZINC000008873481 569291639 /nfs/dbraw/zinc/29/16/39/569291639.db2.gz CDZDQXPZAMBJNI-OGECGYFKSA-N 0 0 435.549 4.765 50 0 IJAARN CC1(C)Cc2c(sc3nc(N)n4c(SCc5ccccc5Cl)nnc4c23)CO1 ZINC000002381190 569291972 /nfs/dbraw/zinc/29/19/72/569291972.db2.gz OTLNWIYSIJOEFN-UHFFFAOYSA-N 0 0 431.974 4.718 50 0 IJAARN CC[C@@H](C)COC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002383490 569293983 /nfs/dbraw/zinc/29/39/83/569293983.db2.gz RWWVNVYXZDYCGF-MRXNPFEDSA-N 0 0 432.524 4.621 50 0 IJAARN CCCCc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002393789 569298065 /nfs/dbraw/zinc/29/80/65/569298065.db2.gz PUKZGNCMORQBRW-UHFFFAOYSA-N 0 0 437.920 4.999 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1 ZINC000002403259 569299720 /nfs/dbraw/zinc/29/97/20/569299720.db2.gz DQUGIDXNVHOFID-FQEVSTJZSA-N 0 0 447.516 4.664 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000002404003 569299905 /nfs/dbraw/zinc/29/99/05/569299905.db2.gz HGXHYNZWJJETEE-IBGZPJMESA-N 0 0 436.261 4.894 50 0 IJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002443884 569304211 /nfs/dbraw/zinc/30/42/11/569304211.db2.gz PPMQXDSWJJSKQW-UHFFFAOYSA-N 0 0 427.892 4.647 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1c1nc2ccc(F)cc2s1 ZINC000002445282 569304392 /nfs/dbraw/zinc/30/43/92/569304392.db2.gz RTABLPSEMBPSDY-FQEVSTJZSA-N 0 0 444.443 4.997 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(Br)cc1 ZINC000002448330 569304588 /nfs/dbraw/zinc/30/45/88/569304588.db2.gz PJVMXHCTZSOCPI-UHFFFAOYSA-N 0 0 425.311 4.553 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C(C)C)C2CC2)cc1OC ZINC000012949221 569305091 /nfs/dbraw/zinc/30/50/91/569305091.db2.gz KWJIZBILUXKWEH-RVDMUPIBSA-N 0 0 431.536 4.969 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000012985579 569305866 /nfs/dbraw/zinc/30/58/66/569305866.db2.gz SHXGFIDGRAEXHC-QGZVFWFLSA-N 0 0 444.578 4.596 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc(Nc2ccc(-n3nc(C)c(C)c3C)nn2)cc1 ZINC000013009922 569306757 /nfs/dbraw/zinc/30/67/57/569306757.db2.gz KJVZXERJTFXHCN-UHFFFAOYSA-N 0 0 443.511 4.984 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 ZINC000013014808 569307012 /nfs/dbraw/zinc/30/70/12/569307012.db2.gz ZKUWJHKISHHWIP-UHFFFAOYSA-N 0 0 435.593 4.912 50 0 IJAARN CCC(=O)Nc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)cc1 ZINC000013016930 569307131 /nfs/dbraw/zinc/30/71/31/569307131.db2.gz OLTRUIAFXKURIJ-AYHJJNSGSA-N 0 0 447.622 4.764 50 0 IJAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013017118 569307136 /nfs/dbraw/zinc/30/71/36/569307136.db2.gz KLOLPKRECTUHKF-JOCHJYFZSA-N 0 0 444.878 4.627 50 0 IJAARN Nc1cc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)ccc1Cl ZINC000013041747 569308265 /nfs/dbraw/zinc/30/82/65/569308265.db2.gz WDFKIFOWMWQHKQ-UHFFFAOYSA-N 0 0 446.894 4.570 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)n(-c2ccccc2)n1 ZINC000013057645 569308423 /nfs/dbraw/zinc/30/84/23/569308423.db2.gz VVUASHBRNUUAQS-UHFFFAOYSA-N 0 0 447.564 4.874 50 0 IJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc(C)s1 ZINC000013075001 569309180 /nfs/dbraw/zinc/30/91/80/569309180.db2.gz OQXWZNAXXBXUHF-UHFFFAOYSA-N 0 0 435.548 4.819 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000013096880 569309590 /nfs/dbraw/zinc/30/95/90/569309590.db2.gz MKCBNRRWUHHPJY-UHFFFAOYSA-N 0 0 438.505 4.691 50 0 IJAARN CCOc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(SC)c2)cc(Cl)c1OC ZINC000013097352 569309834 /nfs/dbraw/zinc/30/98/34/569309834.db2.gz IQUNWPMWKGUVEU-CMDGGOBGSA-N 0 0 435.929 4.664 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 ZINC000013100800 569310035 /nfs/dbraw/zinc/31/00/35/569310035.db2.gz OWRCIZJTOBNVFB-UHFFFAOYSA-N 0 0 447.390 4.737 50 0 IJAARN Cc1c(C(=O)NC2CCCC2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000013112513 569310520 /nfs/dbraw/zinc/31/05/20/569310520.db2.gz SKTPJMOGZIDZQS-UHFFFAOYSA-N 0 0 427.595 4.875 50 0 IJAARN Cc1cc2sc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)nc2c(C)c1 ZINC000013146182 569311894 /nfs/dbraw/zinc/31/18/94/569311894.db2.gz IXVUXOPWKRCIRQ-UHFFFAOYSA-N 0 0 427.485 4.966 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000013146174 569311906 /nfs/dbraw/zinc/31/19/06/569311906.db2.gz SCVGOLAEPQGTAQ-UHFFFAOYSA-N 0 0 448.466 4.875 50 0 IJAARN O=C(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000013355531 569313519 /nfs/dbraw/zinc/31/35/19/569313519.db2.gz ZBUMKMTYECOAIB-UHFFFAOYSA-N 0 0 426.582 4.591 50 0 IJAARN O=C(NC1CCCC1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355381 569313551 /nfs/dbraw/zinc/31/35/51/569313551.db2.gz JMTCLMZPNQYLSD-UHFFFAOYSA-N 0 0 434.561 4.505 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)cc1F ZINC000013356085 569313641 /nfs/dbraw/zinc/31/36/41/569313641.db2.gz RIZGEAJIWWJEIS-UHFFFAOYSA-N 0 0 425.485 4.530 50 0 IJAARN COc1ccc(OC)c(CNc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)c1 ZINC000013364722 569314234 /nfs/dbraw/zinc/31/42/34/569314234.db2.gz PEIWIWWPWJIHQH-UHFFFAOYSA-N 0 0 433.556 4.530 50 0 IJAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369177 569314679 /nfs/dbraw/zinc/31/46/79/569314679.db2.gz LAVBSEHQEHKGFR-OAHLLOKOSA-N 0 0 433.895 4.963 50 0 IJAARN C[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2ccccc2s1 ZINC000078714316 569318382 /nfs/dbraw/zinc/31/83/82/569318382.db2.gz OHXMHOKCIDAOTN-DIFFPNOSSA-N 0 0 431.970 4.673 50 0 IJAARN CSc1ccc(C(=O)CCC(=O)OCC(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000019352327 569318711 /nfs/dbraw/zinc/31/87/11/569318711.db2.gz ZQMVMXQISZULLE-KRWDZBQOSA-N 0 0 435.545 4.945 50 0 IJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000078814017 569319141 /nfs/dbraw/zinc/31/91/41/569319141.db2.gz PTVAELPAGOBPEP-OFJJUDJNSA-N 0 0 434.989 4.993 50 0 IJAARN CCOC(=O)c1sc2nc(C)nc(N[C@H](C)c3nc(Cc4ccccc4)no3)c2c1C ZINC000079046732 569323054 /nfs/dbraw/zinc/32/30/54/569323054.db2.gz UIVOKOZOFMWQHV-CYBMUJFWSA-N 0 0 437.525 4.632 50 0 IJAARN CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000079056584 569323669 /nfs/dbraw/zinc/32/36/69/569323669.db2.gz GVYYHUZQNHCSBA-UHFFFAOYSA-N 0 0 428.334 4.952 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccccc2OC)cc1 ZINC000079191165 569328088 /nfs/dbraw/zinc/32/80/88/569328088.db2.gz WCMVYNKTKQQHLV-KRWDZBQOSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN COc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793421 569329332 /nfs/dbraw/zinc/32/93/32/569329332.db2.gz ZRTRXYIFIKUFGH-UHFFFAOYSA-N 0 0 439.559 4.522 50 0 IJAARN CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)cc21 ZINC000019796521 569329519 /nfs/dbraw/zinc/32/95/19/569329519.db2.gz ZFFYOZPUOLESRV-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)cc21 ZINC000019820286 569330074 /nfs/dbraw/zinc/33/00/74/569330074.db2.gz UDOJGGINZHOQGG-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN Cc1cc(C)nc(SCc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)n1 ZINC000079464318 569330464 /nfs/dbraw/zinc/33/04/64/569330464.db2.gz UTBFUTYITIFGLS-UHFFFAOYSA-N 0 0 442.972 4.595 50 0 IJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079484500 569331014 /nfs/dbraw/zinc/33/10/14/569331014.db2.gz NXRLBAKKNSFKGU-DEOSSOPVSA-N 0 0 431.580 4.973 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1OC ZINC000020137545 569335898 /nfs/dbraw/zinc/33/58/98/569335898.db2.gz HJXLSEXEUBLBIG-UHFFFAOYSA-N 0 0 446.507 4.781 50 0 IJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCC(C)C)cc3N(C)C2=O)cc1OC ZINC000020180211 569355034 /nfs/dbraw/zinc/35/50/34/569355034.db2.gz DVBGIUAGGGZIEL-XKZIYDEJSA-N 0 0 440.565 4.589 50 0 IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)cc1 ZINC000020180950 569355227 /nfs/dbraw/zinc/35/52/27/569355227.db2.gz HVCZNQUEIXYLFE-ULJHMMPZSA-N 0 0 444.556 4.534 50 0 biogenic IJAARN CC1(C)CON(Cc2ccc(N3C(=O)c4cc5ccccc5cc4C3=O)cc2Cl)C1=O ZINC000080028214 569355865 /nfs/dbraw/zinc/35/58/65/569355865.db2.gz RJUMMGVZAKJVGH-UHFFFAOYSA-N 0 0 434.879 4.594 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2C(F)(F)F)CC1 ZINC000020213502 569356349 /nfs/dbraw/zinc/35/63/49/569356349.db2.gz ZSDYKHGVMJDADS-HXUWFJFHSA-N 0 0 447.457 4.893 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3ccc4c(c3)OCO4)sc21 ZINC000020239192 569357606 /nfs/dbraw/zinc/35/76/06/569357606.db2.gz WRSKCXBEDSDBTK-UHFFFAOYSA-N 0 0 425.897 4.614 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 ZINC000020282484 569358741 /nfs/dbraw/zinc/35/87/41/569358741.db2.gz SCIWFXANDDPEKV-UHFFFAOYSA-N 0 0 442.519 4.761 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288880 569359393 /nfs/dbraw/zinc/35/93/93/569359393.db2.gz LPVILOVMOHCBRE-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN Cn1c(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc2oc3ccccc3c21 ZINC000020386339 569363171 /nfs/dbraw/zinc/36/31/71/569363171.db2.gz NUBYSRNZXUDKBN-UHFFFAOYSA-N 0 0 449.938 4.747 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000095393817 569363550 /nfs/dbraw/zinc/36/35/50/569363550.db2.gz IJEPIIMERPHFHW-IBGZPJMESA-N 0 0 428.410 4.808 50 0 IJAARN Cc1nc(Cl)cc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 ZINC000095394832 569363558 /nfs/dbraw/zinc/36/35/58/569363558.db2.gz PEUSJJPMEIZKDA-CQSZACIVSA-N 0 0 434.725 4.516 50 0 IJAARN CCCN(C(=O)c1coc(-c2csc(C)n2)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000095397202 569363686 /nfs/dbraw/zinc/36/36/86/569363686.db2.gz BLRLQKPTJQUGCA-UHFFFAOYSA-N 0 0 439.585 4.640 50 0 IJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020415271 569364425 /nfs/dbraw/zinc/36/44/25/569364425.db2.gz XYQCPBNJZAITIC-DEOSSOPVSA-N 0 0 428.488 4.954 50 0 IJAARN O=C(c1c[nH]c2ccccc21)[C@H](NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000095405892 569364601 /nfs/dbraw/zinc/36/46/01/569364601.db2.gz UFYYIVLOCRFPAZ-ILBGXUMGSA-N 0 0 445.588 4.817 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O ZINC000020417503 569365033 /nfs/dbraw/zinc/36/50/33/569365033.db2.gz BFRRDPBCQCQOGJ-UHFFFAOYSA-N 0 0 446.526 4.512 50 0 IJAARN O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000095410012 569365139 /nfs/dbraw/zinc/36/51/39/569365139.db2.gz WZGHVLDEKYYSEZ-RUZDIDTESA-N 0 0 446.547 4.998 50 0 IJAARN O=C(CCCSc1nnc(C2CC2)n1C1CC1)CSc1nnc(C2CC2)n1C1CC1 ZINC000095446972 569367493 /nfs/dbraw/zinc/36/74/93/569367493.db2.gz ORRZSLKFEAYVJF-UHFFFAOYSA-N 0 0 444.630 4.528 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000095449940 569367656 /nfs/dbraw/zinc/36/76/56/569367656.db2.gz LSEHVSPTTKTPLA-ZJSXRUAMSA-N 0 0 447.579 4.931 50 0 IJAARN CCCCCn1cc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c2ccccc21 ZINC000095464521 569370558 /nfs/dbraw/zinc/37/05/58/569370558.db2.gz OIZXXIJQHXADAX-SFHVURJKSA-N 0 0 435.532 4.517 50 0 IJAARN c1nc2c(n1CCc1ccccc1)CCN(c1nc(-c3ccncc3)nc3ccccc31)C2 ZINC000095467523 569371048 /nfs/dbraw/zinc/37/10/48/569371048.db2.gz KSISMUPEWLYZPO-UHFFFAOYSA-N 0 0 432.531 4.694 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)CC2 ZINC000095472645 569372151 /nfs/dbraw/zinc/37/21/51/569372151.db2.gz BZHLXAAXVRWIPQ-NRFANRHFSA-N 0 0 438.955 4.918 50 0 IJAARN COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095473943 569372466 /nfs/dbraw/zinc/37/24/66/569372466.db2.gz BKJIUWRFJZCQAD-FQEVSTJZSA-N 0 0 447.512 4.881 50 0 IJAARN COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095475785 569372883 /nfs/dbraw/zinc/37/28/83/569372883.db2.gz ONKNYEDOFQMTNP-ORAYPTAESA-N 0 0 447.557 4.631 50 0 IJAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000095476317 569373045 /nfs/dbraw/zinc/37/30/45/569373045.db2.gz DMLSXQFTGXAWAS-OAQYLSRUSA-N 0 0 447.970 4.764 50 0 IJAARN COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095478324 569373449 /nfs/dbraw/zinc/37/34/49/569373449.db2.gz HDJPOAXVUQQLIT-MRXNPFEDSA-N 0 0 446.908 4.692 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000095479713 569373778 /nfs/dbraw/zinc/37/37/78/569373778.db2.gz PJCRXVADBPYPHF-UHFFFAOYSA-N 0 0 431.945 4.558 50 0 IJAARN O=C1CCC[C@H]1[C@H](c1ccccc1)N(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000095481837 569374203 /nfs/dbraw/zinc/37/42/03/569374203.db2.gz LXFHVPSHSMKJLP-YKSBVNFPSA-N 0 0 430.529 4.753 50 0 IJAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)o3)no2)c(C)c1 ZINC000095481948 569374240 /nfs/dbraw/zinc/37/42/40/569374240.db2.gz ZYELCWBVFIFVHE-UHFFFAOYSA-N 0 0 439.497 4.501 50 0 IJAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1ccccc1Cl ZINC000095481934 569374248 /nfs/dbraw/zinc/37/42/48/569374248.db2.gz ZYIJAYKVNIHFIM-UHFFFAOYSA-N 0 0 441.900 4.637 50 0 IJAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482389 569374289 /nfs/dbraw/zinc/37/42/89/569374289.db2.gz KAEMPNVUMXGFEG-GOSISDBHSA-N 0 0 444.329 4.590 50 0 IJAARN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482401 569374298 /nfs/dbraw/zinc/37/42/98/569374298.db2.gz BHZQKDHVGYPNGX-QGZVFWFLSA-N 0 0 444.329 4.590 50 0 IJAARN Cc1nn(C)c(Cl)c1C(=O)Oc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000095947088 569376317 /nfs/dbraw/zinc/37/63/17/569376317.db2.gz PSECCAKVVQPWNN-UHFFFAOYSA-N 0 0 448.704 4.616 50 0 IJAARN COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000095946549 569376323 /nfs/dbraw/zinc/37/63/23/569376323.db2.gz FHLWBTVKIFOZPE-SECBINFHSA-N 0 0 449.128 4.554 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc2ccccc2[nH]c1=O ZINC000095947289 569376404 /nfs/dbraw/zinc/37/64/04/569376404.db2.gz AYFBWOOAXPGENZ-UHFFFAOYSA-N 0 0 426.295 4.666 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)sc1Br ZINC000095964410 569377231 /nfs/dbraw/zinc/37/72/31/569377231.db2.gz VYOJPEDOBWINJE-UHFFFAOYSA-N 0 0 447.120 4.661 50 0 IJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024262 569380443 /nfs/dbraw/zinc/38/04/43/569380443.db2.gz 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O=C(c1ccc(-c2cccs2)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096104130 569382147 /nfs/dbraw/zinc/38/21/47/569382147.db2.gz GHCCINWEWPNWIM-UHFFFAOYSA-N 0 0 429.538 4.633 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)c2ccccc12 ZINC000096116601 569383850 /nfs/dbraw/zinc/38/38/50/569383850.db2.gz LQXUMRIVHHSJJX-HXUWFJFHSA-N 0 0 441.578 4.593 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000096116994 569383925 /nfs/dbraw/zinc/38/39/25/569383925.db2.gz VDTPSZQAICDHIM-INIZCTEOSA-N 0 0 432.351 4.740 50 0 IJAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119746 569384790 /nfs/dbraw/zinc/38/47/90/569384790.db2.gz FIFPRDWJMFKBBD-QKKBWIMNSA-N 0 0 433.489 4.556 50 0 IJAARN COCCNC(=O)c1cc2cc(NC(=O)CC(C)C)ccc2n1Cc1cc(C)ccc1C ZINC000096275228 569388286 /nfs/dbraw/zinc/38/82/86/569388286.db2.gz UPKVHLQLBKSYCA-UHFFFAOYSA-N 0 0 435.568 4.667 50 0 IJAARN CCn1c(SCc2ccccc2C(=O)NCc2ccc(F)cc2)nnc1-c1cccnc1 ZINC000096290399 569390931 /nfs/dbraw/zinc/39/09/31/569390931.db2.gz OXCXQVXNJVSUAU-UHFFFAOYSA-N 0 0 447.539 4.721 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2ccccc2F)cc1 ZINC000096294379 569391795 /nfs/dbraw/zinc/39/17/95/569391795.db2.gz MHVOBLPNZJEGEE-DEOSSOPVSA-N 0 0 447.485 4.723 50 0 IJAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)[C@H](C)CC ZINC000096294710 569391915 /nfs/dbraw/zinc/39/19/15/569391915.db2.gz LCWDJZZPWIFGKN-MRXNPFEDSA-N 0 0 438.977 4.746 50 0 IJAARN Cc1cccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096317491 569393539 /nfs/dbraw/zinc/39/35/39/569393539.db2.gz VXEYYSVNRHSJCW-UHFFFAOYSA-N 0 0 448.636 4.907 50 0 IJAARN Cc1nc(C(C)C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317866 569393641 /nfs/dbraw/zinc/39/36/41/569393641.db2.gz KMKYSMBIXDYOGL-UHFFFAOYSA-N 0 0 432.971 4.596 50 0 IJAARN CCOC(=O)CCNC(=O)N1CCC(n2nc(-c3ccccc3)cc2-c2ccccc2)CC1 ZINC000096318444 569393829 /nfs/dbraw/zinc/39/38/29/569393829.db2.gz GLAGKOHPDSVJCF-UHFFFAOYSA-N 0 0 446.551 4.517 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1)Cc1ccccc1F ZINC000096322770 569394958 /nfs/dbraw/zinc/39/49/58/569394958.db2.gz QBZADPGQAACNEM-UHFFFAOYSA-N 0 0 432.860 4.904 50 0 IJAARN COc1ccccc1CNC(=O)C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000096323059 569395058 /nfs/dbraw/zinc/39/50/58/569395058.db2.gz MFERPSQAZGBQMF-OAQYLSRUSA-N 0 0 436.939 4.823 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000096323129 569395144 /nfs/dbraw/zinc/39/51/44/569395144.db2.gz XZUOYXQEPBUQAM-UHFFFAOYSA-N 0 0 436.556 4.537 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000096323146 569395152 /nfs/dbraw/zinc/39/51/52/569395152.db2.gz IFONNSSQQQXFMP-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccc(C(F)(F)F)cc4)no3)[nH]c2c1 ZINC000096349472 569397256 /nfs/dbraw/zinc/39/72/56/569397256.db2.gz NKNDXCHDNVSZIE-UHFFFAOYSA-N 0 0 444.413 4.560 50 0 IJAARN CSc1cccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)c1 ZINC000096372457 569397831 /nfs/dbraw/zinc/39/78/31/569397831.db2.gz AGLZSEREUYCHKD-UHFFFAOYSA-N 0 0 434.565 4.799 50 0 IJAARN CC[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)c1cccs1 ZINC000096372476 569397834 /nfs/dbraw/zinc/39/78/34/569397834.db2.gz WEXGCRJUZXNHGC-GOSISDBHSA-N 0 0 436.581 4.767 50 0 IJAARN O=C(Nc1cccc(-c2nccnc2N2CCOCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000096386629 569398635 /nfs/dbraw/zinc/39/86/35/569398635.db2.gz WEAKOHADGCYZRZ-UHFFFAOYSA-N 0 0 443.429 4.643 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCC3)c2)cc1 ZINC000096386549 569398669 /nfs/dbraw/zinc/39/86/69/569398669.db2.gz GEVYMNPZWBTPOV-UHFFFAOYSA-N 0 0 431.496 4.565 50 0 IJAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4cccc(N(C)C)c4)cc3)oc2C)n1 ZINC000096397323 569399437 /nfs/dbraw/zinc/39/94/37/569399437.db2.gz LXAUOGQHOQARAE-UHFFFAOYSA-N 0 0 429.524 4.830 50 0 IJAARN CCS(=O)(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(C)C)c3)sc2c1 ZINC000096399546 569400184 /nfs/dbraw/zinc/40/01/84/569400184.db2.gz HQHSYIZMYWJKTR-UHFFFAOYSA-N 0 0 449.623 4.912 50 0 IJAARN CCN(CCC(F)(F)F)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000096402555 569400473 /nfs/dbraw/zinc/40/04/73/569400473.db2.gz LHZSBJCCFIJXQP-CLFYSBASSA-N 0 0 426.435 4.693 50 0 IJAARN O=C(c1ccccc1)[C@@H](Sc1nnc(Nc2cccc(Cl)c2)s1)n1cncn1 ZINC000096592463 569401943 /nfs/dbraw/zinc/40/19/43/569401943.db2.gz ZRURSSWGUCKLNW-MRXNPFEDSA-N 0 0 428.930 4.700 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)c3ccc(Cl)s3)C2)cc1 ZINC000097161327 569403261 /nfs/dbraw/zinc/40/32/61/569403261.db2.gz NQDHFYKCPZPNSV-OAHLLOKOSA-N 0 0 438.940 4.909 50 0 IJAARN O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccc2c(c1)OCCO2 ZINC000002476204 569404450 /nfs/dbraw/zinc/40/44/50/569404450.db2.gz NRKOZCZFZVTRFF-UHFFFAOYSA-N 0 0 440.424 4.640 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000027971967 569404944 /nfs/dbraw/zinc/40/49/44/569404944.db2.gz BLSHJIWYBADNFG-UHFFFAOYSA-N 0 0 426.476 4.797 50 0 IJAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225619856 569405835 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COCCCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1 ZINC000002619816 569410842 /nfs/dbraw/zinc/41/08/42/569410842.db2.gz XYEZOUOCNIBJEW-UHFFFAOYSA-N 0 0 441.944 4.977 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc(Br)cc1 ZINC000002621306 569411121 /nfs/dbraw/zinc/41/11/21/569411121.db2.gz HZEDZZIDBXDBRJ-UHFFFAOYSA-N 0 0 447.333 4.912 50 0 IJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)c(C)n1C ZINC000002623262 569411388 /nfs/dbraw/zinc/41/13/88/569411388.db2.gz JETBMKRAHVKXGS-UHFFFAOYSA-N 0 0 439.487 4.594 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000002623695 569411436 /nfs/dbraw/zinc/41/14/36/569411436.db2.gz UXICNGYHNRSYNT-UHFFFAOYSA-N 0 0 449.532 4.782 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(Br)cc1 ZINC000002633399 569412661 /nfs/dbraw/zinc/41/26/61/569412661.db2.gz SRRBGZVUDPJKCZ-UHFFFAOYSA-N 0 0 438.277 4.869 50 0 IJAARN C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002640795 569413640 /nfs/dbraw/zinc/41/36/40/569413640.db2.gz NLAIJUVAQJERLV-LBPRGKRZSA-N 0 0 425.287 4.910 50 0 IJAARN CC(C)n1c(=O)c2c3c(sc2nc1SCC(=O)NCc1ccc(Cl)cc1)CCC3 ZINC000002640352 569413671 /nfs/dbraw/zinc/41/36/71/569413671.db2.gz PQLAKXXPCSEGSO-UHFFFAOYSA-N 0 0 448.013 4.590 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1C ZINC000002644658 569414008 /nfs/dbraw/zinc/41/40/08/569414008.db2.gz HVDINPBVNSTDII-UHFFFAOYSA-N 0 0 449.507 4.647 50 0 IJAARN CCn1c2ccccc2c(C(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)c1-c1ccccc1 ZINC000002644054 569414039 /nfs/dbraw/zinc/41/40/39/569414039.db2.gz HFDGIPDHFMABDK-AREMUKBSSA-N 0 0 431.536 4.868 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)cc2)n1 ZINC000002649312 569414576 /nfs/dbraw/zinc/41/45/76/569414576.db2.gz BNDOLRCZQZOJQJ-UHFFFAOYSA-N 0 0 431.464 4.599 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccccc2c1=O ZINC000002652165 569415042 /nfs/dbraw/zinc/41/50/42/569415042.db2.gz HFCJGRPNRNIVEE-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)c1 ZINC000002654470 569415252 /nfs/dbraw/zinc/41/52/52/569415252.db2.gz VQNSRDTWRWILJT-UHFFFAOYSA-N 0 0 434.521 4.882 50 0 IJAARN CC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000002655227 569415387 /nfs/dbraw/zinc/41/53/87/569415387.db2.gz QEMNRPJHJFNFOI-UHFFFAOYSA-N 0 0 442.924 4.620 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1 ZINC000215749106 569415416 /nfs/dbraw/zinc/41/54/16/569415416.db2.gz QKAZGIWHMDCEAL-HMMYKYKNSA-N 0 0 449.894 4.573 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c1C ZINC000002657958 569415643 /nfs/dbraw/zinc/41/56/43/569415643.db2.gz DHMFMKRSVIAXAK-ZDUSSCGKSA-N 0 0 448.976 4.734 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sccc31)CCCC2 ZINC000002679464 569416759 /nfs/dbraw/zinc/41/67/59/569416759.db2.gz FWYLTWPRXGEZPS-UHFFFAOYSA-N 0 0 433.580 4.539 50 0 IJAARN COc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000002738793 569419791 /nfs/dbraw/zinc/41/97/91/569419791.db2.gz ICIPDJOZTSDOEF-UHFFFAOYSA-N 0 0 430.533 4.863 50 0 IJAARN CCCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002757619 569420365 /nfs/dbraw/zinc/42/03/65/569420365.db2.gz ZTPBHMKQJYTDFV-ZFWWWQNUSA-N 0 0 445.283 4.836 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nccc(-c3ccco3)n1)CCCC2 ZINC000002785512 569421326 /nfs/dbraw/zinc/42/13/26/569421326.db2.gz SOWBBMHLOXISKF-UHFFFAOYSA-N 0 0 443.550 4.584 50 0 IJAARN CCOC(=O)c1sc2ncn3nc(COc4ccc(Cl)c(Cl)c4)nc3c2c1C ZINC000002791199 569421808 /nfs/dbraw/zinc/42/18/08/569421808.db2.gz KATUIEUSRTUKIO-UHFFFAOYSA-N 0 0 437.308 4.710 50 0 IJAARN Cn1ncc2c3nc(-c4ccc(COc5ccc(Cl)cc5Cl)cc4)nn3cnc21 ZINC000002802681 569422456 /nfs/dbraw/zinc/42/24/56/569422456.db2.gz KUSZUYBTQLKGDS-UHFFFAOYSA-N 0 0 425.279 4.564 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 ZINC000002915129 569425084 /nfs/dbraw/zinc/42/50/84/569425084.db2.gz KXNGOFYAYSRYLX-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN CCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3c2=O)cc1 ZINC000002942817 569426841 /nfs/dbraw/zinc/42/68/41/569426841.db2.gz MWWPRUSEIVLJAG-UHFFFAOYSA-N 0 0 449.894 4.699 50 0 IJAARN Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)n21 ZINC000002948023 569427057 /nfs/dbraw/zinc/42/70/57/569427057.db2.gz WQJRMKNZCSDILA-GFCCVEGCSA-N 0 0 448.832 4.830 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)CN[C@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057327427 569431121 /nfs/dbraw/zinc/43/11/21/569431121.db2.gz FUNYTJKXJQXORJ-DEOSSOPVSA-N 0 0 434.561 4.650 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(Cl)cc2)cc1 ZINC000002952836 569432281 /nfs/dbraw/zinc/43/22/81/569432281.db2.gz UGOIZOKQOWYNMJ-COOPMVRXSA-N 0 0 449.894 4.775 50 0 IJAARN CCCCn1c(SCC(=O)NC2CCCCC2)nc2c3ccccc3sc2c1=O ZINC000002962090 569432740 /nfs/dbraw/zinc/43/27/40/569432740.db2.gz CRBNVOWUQCBLFZ-UHFFFAOYSA-N 0 0 429.611 4.952 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)c1ccc(F)cc1 ZINC000002964368 569432913 /nfs/dbraw/zinc/43/29/13/569432913.db2.gz BBEREHRLTUYWNX-NRFANRHFSA-N 0 0 443.503 4.643 50 0 IJAARN COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000057406020 569433633 /nfs/dbraw/zinc/43/36/33/569433633.db2.gz QSYXXUMHYIMYAT-HXUWFJFHSA-N 0 0 431.536 4.637 50 0 IJAARN CSc1ccc(Cl)c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000029804961 569433731 /nfs/dbraw/zinc/43/37/31/569433731.db2.gz WQZRMILGCPYYGB-IBGZPJMESA-N 0 0 425.381 4.519 50 0 IJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000230081326 569434329 /nfs/dbraw/zinc/43/43/29/569434329.db2.gz UZHWSKWLWRXIMO-BHDDXSALSA-N 0 0 436.870 4.839 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 ZINC000057425454 569434408 /nfs/dbraw/zinc/43/44/08/569434408.db2.gz HLWXUZSWXOWLFN-UHFFFAOYSA-N 0 0 435.574 4.800 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 ZINC000057428643 569434915 /nfs/dbraw/zinc/43/49/15/569434915.db2.gz QSIOTFXOXRVXSK-HNNXBMFYSA-N 0 0 445.585 4.778 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2F)cc1Cl ZINC000003023708 569436119 /nfs/dbraw/zinc/43/61/19/569436119.db2.gz CAMRRHBGDPLBCO-JLTOFOAXSA-N 0 0 438.952 4.897 50 0 IJAARN CCc1ccc(-n2c(C)nc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc32)cc1 ZINC000003025457 569436269 /nfs/dbraw/zinc/43/62/69/569436269.db2.gz PTQMBRCWXCMCDW-UHFFFAOYSA-N 0 0 443.547 4.886 50 0 biogenic IJAARN CCOC(=O)Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000003026276 569436272 /nfs/dbraw/zinc/43/62/72/569436272.db2.gz LAYKNYPHHGEMAO-UHFFFAOYSA-N 0 0 437.561 4.805 50 0 IJAARN Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000057486274 569436438 /nfs/dbraw/zinc/43/64/38/569436438.db2.gz YEFOJCVXUHEMFG-UHFFFAOYSA-N 0 0 431.517 4.679 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)cc1 ZINC000057487497 569436770 /nfs/dbraw/zinc/43/67/70/569436770.db2.gz UUVNLNBZIIFIRM-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1)Nc1ccccc1 ZINC000057487963 569436890 /nfs/dbraw/zinc/43/68/90/569436890.db2.gz MVMBQQOIQUNKGD-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(Cl)c2)C1 ZINC000057487926 569436900 /nfs/dbraw/zinc/43/69/00/569436900.db2.gz KSGOSCIUIUZCFU-OKILXGFUSA-N 0 0 448.013 4.697 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 ZINC000057487910 569436908 /nfs/dbraw/zinc/43/69/08/569436908.db2.gz APLWWHYZUYMNSI-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2C)c1 ZINC000057488829 569436980 /nfs/dbraw/zinc/43/69/80/569436980.db2.gz SLNXKFUNZXSDCR-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C(C)C)c2=O)cc1C ZINC000057491308 569437286 /nfs/dbraw/zinc/43/72/86/569437286.db2.gz YLBAIDGLLCVCCM-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F ZINC000003031283 569437604 /nfs/dbraw/zinc/43/76/04/569437604.db2.gz MUZXHFSLNWRJMF-UHFFFAOYSA-N 0 0 440.540 4.736 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1 ZINC000003031711 569437696 /nfs/dbraw/zinc/43/76/96/569437696.db2.gz QHQFFUXPPMPNJO-UHFFFAOYSA-N 0 0 426.513 4.597 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2CCC2=CCCCC2)cc1 ZINC000003039774 569438060 /nfs/dbraw/zinc/43/80/60/569438060.db2.gz CBAHELBTOFPUFG-AREMUKBSSA-N 0 0 432.564 4.540 50 0 IJAARN Cc1nc2c(C(=O)N3CCc4ccccc4C3)cnn2c(C)c1Cc1ccc(Cl)cc1 ZINC000003045240 569438629 /nfs/dbraw/zinc/43/86/29/569438629.db2.gz COMSLALHWOFOMI-UHFFFAOYSA-N 0 0 430.939 4.789 50 0 IJAARN CC[C@@H](Sc1ncccc1C(=O)Oc1ccccc1Cl)C(=O)NCc1ccco1 ZINC000003049018 569438902 /nfs/dbraw/zinc/43/89/02/569438902.db2.gz UXRMBAFMWKUTOS-GOSISDBHSA-N 0 0 430.913 4.734 50 0 IJAARN Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc(F)cc2)n1 ZINC000057522309 569438994 /nfs/dbraw/zinc/43/89/94/569438994.db2.gz OSEJQCPNXIATKI-UHFFFAOYSA-N 0 0 439.796 4.669 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)cc1 ZINC000057524182 569439048 /nfs/dbraw/zinc/43/90/48/569439048.db2.gz GLEPKJJHIVBWDY-OXJNMPFZSA-N 0 0 449.580 4.663 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 ZINC000057522923 569439068 /nfs/dbraw/zinc/43/90/68/569439068.db2.gz WZADLCLSPINZPM-UHFFFAOYSA-N 0 0 448.523 4.905 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCCC1=CCCCC1 ZINC000003059377 569439506 /nfs/dbraw/zinc/43/95/06/569439506.db2.gz UJFIKYKCQGGTAN-UHFFFAOYSA-N 0 0 425.579 4.546 50 0 IJAARN O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccc(Cl)cc1 ZINC000003063310 569439631 /nfs/dbraw/zinc/43/96/31/569439631.db2.gz PIUQNFTYIQUUKU-UHFFFAOYSA-N 0 0 427.331 4.627 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCCNC(=O)c1ccco1 ZINC000057566600 569439870 /nfs/dbraw/zinc/43/98/70/569439870.db2.gz KMAGXRXFXCSCFE-UHFFFAOYSA-N 0 0 440.521 4.642 50 0 IJAARN COc1ccc(CCNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1OC ZINC000003149360 569440952 /nfs/dbraw/zinc/44/09/52/569440952.db2.gz HDWFZTUWDFLGCT-UHFFFAOYSA-N 0 0 435.307 4.947 50 0 IJAARN CCCCn1c2nc3ccccc3nc2c(C(=O)OCC)c1NC(=O)c1ccc(F)cc1 ZINC000003169822 569441166 /nfs/dbraw/zinc/44/11/66/569441166.db2.gz IULJUCKBWMVKQD-UHFFFAOYSA-N 0 0 434.471 4.953 50 0 IJAARN Cc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cc(C)cc(C)c2)c(C)c1 ZINC000003223802 569442072 /nfs/dbraw/zinc/44/20/72/569442072.db2.gz QFIZDRXKLWNZTB-UHFFFAOYSA-N 0 0 426.516 4.863 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(OC)c1OC)CC2 ZINC000003230480 569442318 /nfs/dbraw/zinc/44/23/18/569442318.db2.gz JSVLBEMJLUPINY-JOCHJYFZSA-N 0 0 439.533 4.570 50 0 IJAARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)c1 ZINC000003247893 569442773 /nfs/dbraw/zinc/44/27/73/569442773.db2.gz XORLECQAECGEDW-UHFFFAOYSA-N 0 0 448.500 4.776 50 0 IJAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1 ZINC000003250483 569442895 /nfs/dbraw/zinc/44/28/95/569442895.db2.gz MGURWXIXFLKGHM-UHFFFAOYSA-N 0 0 444.512 4.642 50 0 IJAARN CCCCCOC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc21 ZINC000003261143 569443239 /nfs/dbraw/zinc/44/32/39/569443239.db2.gz MRIHQKVGXMIWCP-UHFFFAOYSA-N 0 0 434.496 4.520 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000003271180 569443592 /nfs/dbraw/zinc/44/35/92/569443592.db2.gz UEBRPMMJQJOXKS-UHFFFAOYSA-N 0 0 436.411 4.633 50 0 IJAARN CC(=O)c1cc2c(N)c(-c3nnc(-c4ccccc4Br)o3)sc2nc1C ZINC000057963446 569443630 /nfs/dbraw/zinc/44/36/30/569443630.db2.gz KOILQGFKQUJMCC-UHFFFAOYSA-N 0 0 429.299 4.869 50 0 IJAARN CC(C)n1nc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c2ccccc2c1=O ZINC000003279379 569443802 /nfs/dbraw/zinc/44/38/02/569443802.db2.gz WUFDBTIIAVLADN-UHFFFAOYSA-N 0 0 438.483 4.588 50 0 IJAARN CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC ZINC000003279397 569443814 /nfs/dbraw/zinc/44/38/14/569443814.db2.gz VFTLASVJRDGAED-LBPRGKRZSA-N 0 0 426.296 4.975 50 0 IJAARN CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000057991133 569444279 /nfs/dbraw/zinc/44/42/79/569444279.db2.gz WULWUIJFJWNMPU-KBXCAEBGSA-N 0 0 444.329 4.780 50 0 IJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000003290472 569444346 /nfs/dbraw/zinc/44/43/46/569444346.db2.gz INSNQNKHYRMMMO-FQEVSTJZSA-N 0 0 440.293 4.995 50 0 IJAARN CCN(Cc1ccccc1)C(=O)COC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000003297095 569444791 /nfs/dbraw/zinc/44/47/91/569444791.db2.gz YNTRQOTYXADLHY-UHFFFAOYSA-N 0 0 430.863 4.648 50 0 IJAARN CN(c1ccc(OCCOc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003312759 569445570 /nfs/dbraw/zinc/44/55/70/569445570.db2.gz MYWWMKSCAXXQHU-UHFFFAOYSA-N 0 0 435.904 4.762 50 0 IJAARN CCc1cc2c(nc(SCC(=O)Nc3ccc(F)cc3)n(-c3ccccc3)c2=O)s1 ZINC000003325615 569446197 /nfs/dbraw/zinc/44/61/97/569446197.db2.gz KPFHUWZQBLXFPJ-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)C(C)C ZINC000003329199 569446370 /nfs/dbraw/zinc/44/63/70/569446370.db2.gz KERKNRJUXAANJF-UHFFFAOYSA-N 0 0 429.973 4.777 50 0 IJAARN O=C(CCc1nc2ccccc2s1)OCc1nnc(-c2ccccc2Br)o1 ZINC000003333826 569446617 /nfs/dbraw/zinc/44/66/17/569446617.db2.gz HIWJIYIWLHAIPN-UHFFFAOYSA-N 0 0 444.310 4.785 50 0 IJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1Cl ZINC000003339467 569446786 /nfs/dbraw/zinc/44/67/86/569446786.db2.gz PLGDLPRODKEHFO-UHFFFAOYSA-N 0 0 443.286 4.723 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000003342361 569446958 /nfs/dbraw/zinc/44/69/58/569446958.db2.gz ZCZJFIRKMGEZKX-UHFFFAOYSA-N 0 0 428.561 4.698 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000003342952 569447010 /nfs/dbraw/zinc/44/70/10/569447010.db2.gz DNPWGAGCGAQOLA-UHFFFAOYSA-N 0 0 425.579 4.730 50 0 IJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000003344267 569447042 /nfs/dbraw/zinc/44/70/42/569447042.db2.gz YOHHBNAHSBERNL-LBPRGKRZSA-N 0 0 449.594 4.777 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000003346899 569447166 /nfs/dbraw/zinc/44/71/66/569447166.db2.gz FTRIMGXGLJVYHI-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN Cc1ccc2c(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000003366858 569448217 /nfs/dbraw/zinc/44/82/17/569448217.db2.gz UIUWBXVWRZSAFS-MRXNPFEDSA-N 0 0 439.562 4.893 50 0 IJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000003370879 569448519 /nfs/dbraw/zinc/44/85/19/569448519.db2.gz RYJUMIJOQXHPFN-JOCHJYFZSA-N 0 0 448.350 4.697 50 0 IJAARN C[C@H]1CCc2c(sc3nc(COC(=O)C(C)(C)Oc4ccc(Cl)cc4)[nH]c(=O)c23)C1 ZINC000003371263 569448531 /nfs/dbraw/zinc/44/85/31/569448531.db2.gz FEDGJAPIXOASEK-LBPRGKRZSA-N 0 0 446.956 4.664 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N3CCc4ccccc43)cs2)cc1OC ZINC000058159140 569449058 /nfs/dbraw/zinc/44/90/58/569449058.db2.gz XHXODHFTPQFMJD-UHFFFAOYSA-N 0 0 426.563 4.650 50 0 IJAARN O=C(Oc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000003409316 569449991 /nfs/dbraw/zinc/44/99/91/569449991.db2.gz USDJLIASTXBEQF-UHFFFAOYSA-N 0 0 448.755 4.653 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCSc1ccc(Br)cc1 ZINC000003418212 569450341 /nfs/dbraw/zinc/45/03/41/569450341.db2.gz CMGCFDVKTCVWGV-UHFFFAOYSA-N 0 0 430.371 4.774 50 0 IJAARN COc1cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)ccc1OCc1c(C)noc1C ZINC000003430929 569450804 /nfs/dbraw/zinc/45/08/04/569450804.db2.gz CYKUGOKOMYMBSU-UHFFFAOYSA-N 0 0 437.492 4.844 50 0 IJAARN Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000003486768 569452371 /nfs/dbraw/zinc/45/23/71/569452371.db2.gz ZSYBNSZURNAUJC-HNNXBMFYSA-N 0 0 436.566 4.522 50 0 IJAARN CC(C)c1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000003482701 569452410 /nfs/dbraw/zinc/45/24/10/569452410.db2.gz FCJPCHQVJLXBPF-UHFFFAOYSA-N 0 0 443.572 4.918 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000003483580 569452420 /nfs/dbraw/zinc/45/24/20/569452420.db2.gz MQOWTGZWHJCQCK-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000003504331 569452891 /nfs/dbraw/zinc/45/28/91/569452891.db2.gz HQNDFXRWYMMTDJ-MRXNPFEDSA-N 0 0 429.567 4.559 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)cc12 ZINC000003530380 569453425 /nfs/dbraw/zinc/45/34/25/569453425.db2.gz CVHLINGRWPRKOZ-OAHLLOKOSA-N 0 0 431.517 4.530 50 0 IJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003534191 569453500 /nfs/dbraw/zinc/45/35/00/569453500.db2.gz KZZBOCNVSRZSFY-JTSKRJEESA-N 0 0 432.593 4.878 50 0 IJAARN COc1ccc(-n2nnnc2S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000003542847 569453636 /nfs/dbraw/zinc/45/36/36/569453636.db2.gz RPFIDDHDTKUWEU-QHCPKHFHSA-N 0 0 441.516 4.869 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1OC(F)F)oc1ccccc12 ZINC000003573406 569454266 /nfs/dbraw/zinc/45/42/66/569454266.db2.gz GRNJIMVOPDLQGW-UHFFFAOYSA-N 0 0 441.386 4.992 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)sc2c1 ZINC000003592160 569454596 /nfs/dbraw/zinc/45/45/96/569454596.db2.gz CKPQTVGIXCSXEE-UHFFFAOYSA-N 0 0 449.985 4.685 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(=O)sc3c2)c(C)c1 ZINC000003653758 569455680 /nfs/dbraw/zinc/45/56/80/569455680.db2.gz VGVDMFQHNGRFGS-UHFFFAOYSA-N 0 0 439.514 4.507 50 0 IJAARN COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccc(C)cc2)C3=O)c1 ZINC000031811615 569457837 /nfs/dbraw/zinc/45/78/37/569457837.db2.gz DTVOQZIZCYEELR-RUZDIDTESA-N 0 0 441.487 4.858 50 0 IJAARN CCCCCN1CC(=O)N2C[C@@H](c3ccc(C)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004082834 569458692 /nfs/dbraw/zinc/45/86/92/569458692.db2.gz IVETUHWCHAECJQ-IDISGSTGSA-N 0 0 429.564 4.698 50 0 biogenic IJAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCCCCC3)nn1-c1ccccc1F)C2 ZINC000032070701 569459189 /nfs/dbraw/zinc/45/91/89/569459189.db2.gz NNQVOGKVMGSWRH-UHFFFAOYSA-N 0 0 435.499 4.616 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC(C)C ZINC000032071987 569459237 /nfs/dbraw/zinc/45/92/37/569459237.db2.gz HOIHZIOGPONFTJ-CQSZACIVSA-N 0 0 427.892 4.544 50 0 IJAARN CCOC(=O)c1csc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)n1 ZINC000004146022 569460519 /nfs/dbraw/zinc/46/05/19/569460519.db2.gz YXDLJTMBDSRWNK-UHFFFAOYSA-N 0 0 430.486 4.592 50 0 IJAARN CCOC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004187069 569460820 /nfs/dbraw/zinc/46/08/20/569460820.db2.gz WHZOYQQQQGBCNA-CQSZACIVSA-N 0 0 435.471 4.921 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)o1 ZINC000004211487 569461000 /nfs/dbraw/zinc/46/10/00/569461000.db2.gz AGPNVKRGFIZJTH-UHFFFAOYSA-N 0 0 435.505 4.923 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)c(C)c1Br ZINC000032320789 569461173 /nfs/dbraw/zinc/46/11/73/569461173.db2.gz LYKLIPJVEMTSGY-LJQANCHMSA-N 0 0 425.330 4.624 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CC[C@H](C)C[C@H]3C)n2-c2ccccc2)c1 ZINC000059462400 569461506 /nfs/dbraw/zinc/46/15/06/569461506.db2.gz YQBILZKCSWLVFX-ZWKOTPCHSA-N 0 0 436.581 4.682 50 0 IJAARN Cc1cc(NC(=O)c2nn3c(nc(-c4ccc(C)cc4)cc3C(F)(F)F)c2Cl)no1 ZINC000059491634 569461614 /nfs/dbraw/zinc/46/16/14/569461614.db2.gz ILOVUJATZQJPHY-UHFFFAOYSA-N 0 0 435.793 4.926 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000008093779 569462282 /nfs/dbraw/zinc/46/22/82/569462282.db2.gz YCOVAFRNQQAYKQ-QGZVFWFLSA-N 0 0 429.586 4.649 50 0 IJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008314600 569462604 /nfs/dbraw/zinc/46/26/04/569462604.db2.gz BETJLLJVDSLTRM-UHFFFAOYSA-N 0 0 426.952 4.738 50 0 IJAARN CCOc1cc(C=NNC(=O)CCc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 ZINC000008383293 569462690 /nfs/dbraw/zinc/46/26/90/569462690.db2.gz NNGHGWOWEJEUPC-UITBPBPHSA-N 0 0 442.515 4.787 50 0 IJAARN CSc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000038487506 569462888 /nfs/dbraw/zinc/46/28/88/569462888.db2.gz HOIHUIGUTBSCPU-UHFFFAOYSA-N 0 0 435.940 4.635 50 0 IJAARN CSc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1 ZINC000038487682 569462939 /nfs/dbraw/zinc/46/29/39/569462939.db2.gz WZJMEVLCTUZTBU-UHFFFAOYSA-N 0 0 435.940 4.635 50 0 IJAARN CCc1cc([C@@H](c2ccccc2OC)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546036 569463393 /nfs/dbraw/zinc/46/33/93/569463393.db2.gz YPIPAXFUIABXGB-OAQYLSRUSA-N 0 0 426.538 4.586 50 0 IJAARN CCc1cc([C@@H](c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546034 569463420 /nfs/dbraw/zinc/46/34/20/569463420.db2.gz WWZIHVBERFKDAT-OAQYLSRUSA-N 0 0 426.538 4.586 50 0 IJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)cc(OC)c2)cc1 ZINC000067258626 569466145 /nfs/dbraw/zinc/46/61/45/569466145.db2.gz CMYFPWSBOHSWAQ-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccc2c(c1)OCO2 ZINC000067259412 569466263 /nfs/dbraw/zinc/46/62/63/569466263.db2.gz BJPRDFBCLRFDKR-UHFFFAOYSA-N 0 0 438.455 4.744 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc(OC)c1OC ZINC000038678369 569466662 /nfs/dbraw/zinc/46/66/62/569466662.db2.gz WTPWJGXZAGEYIB-DHZHZOJOSA-N 0 0 446.459 4.722 50 0 IJAARN Clc1cccc(-c2nnn3c2nc(N2CCN(c4ccccc4)CC2)c2ccccc23)c1 ZINC000067262708 569466706 /nfs/dbraw/zinc/46/67/06/569466706.db2.gz AWIWZERYNGYQIS-UHFFFAOYSA-N 0 0 440.938 4.925 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1NCc1cccc(Br)c1)N1CCCC1 ZINC000067288249 569467374 /nfs/dbraw/zinc/46/73/74/569467374.db2.gz LSATXFPFFXEFEM-UHFFFAOYSA-N 0 0 428.305 4.985 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)NCCC4=CCCCC4)nccn3n2)cc1 ZINC000067290318 569467555 /nfs/dbraw/zinc/46/75/55/569467555.db2.gz IHUVVELGJQGSCX-UHFFFAOYSA-N 0 0 436.581 4.894 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)C1(c2ccccc2)CCOCC1 ZINC000038700026 569467607 /nfs/dbraw/zinc/46/76/07/569467607.db2.gz ZEKMAYSXOKVSGR-UHFFFAOYSA-N 0 0 440.543 4.967 50 0 IJAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067292835 569467746 /nfs/dbraw/zinc/46/77/46/569467746.db2.gz WUYYDUIYELLZMF-LTHSRMNQSA-N 0 0 426.900 4.626 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)cc3F)oc21 ZINC000067299068 569468174 /nfs/dbraw/zinc/46/81/74/569468174.db2.gz NNJOCOLDVORFRN-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN C[C@H]1Cc2cc(-c3cc(CNC(=O)CSc4nc5ccccc5s4)no3)ccc2O1 ZINC000038752152 569468816 /nfs/dbraw/zinc/46/88/16/569468816.db2.gz WNFJVZGNTRAVBP-ZDUSSCGKSA-N 0 0 437.546 4.683 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C ZINC000008651304 569469686 /nfs/dbraw/zinc/46/96/86/569469686.db2.gz DDFRPOJKQRXGCP-UHFFFAOYSA-N 0 0 428.533 4.788 50 0 IJAARN CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000008707556 569470591 /nfs/dbraw/zinc/47/05/91/569470591.db2.gz VPJBQZFJYFWFPR-GOSISDBHSA-N 0 0 446.580 4.546 50 0 IJAARN O=S(=O)(c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1)N1CCCCCC1 ZINC000008709259 569470744 /nfs/dbraw/zinc/47/07/44/569470744.db2.gz JCAJIOMXNPQYEN-UHFFFAOYSA-N 0 0 446.960 4.567 50 0 IJAARN COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000008711509 569471002 /nfs/dbraw/zinc/47/10/02/569471002.db2.gz WYNKLUATHRFKBW-HXUWFJFHSA-N 0 0 433.455 4.992 50 0 IJAARN O=C(CN(CC(=O)Nc1ccccc1F)c1ccc2c(c1)CCC2)Nc1ccccc1F ZINC000008721057 569471700 /nfs/dbraw/zinc/47/17/00/569471700.db2.gz QBYJINMUYQHIES-UHFFFAOYSA-N 0 0 435.474 4.537 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 ZINC000008725943 569472248 /nfs/dbraw/zinc/47/22/48/569472248.db2.gz UOVJBNGWHWKWNH-UHFFFAOYSA-N 0 0 432.549 4.895 50 0 IJAARN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2C[C@@H]2CCCCO2)CC1 ZINC000008727514 569472367 /nfs/dbraw/zinc/47/23/67/569472367.db2.gz FENJWRHDLXXIMV-KRWDZBQOSA-N 0 0 443.638 4.988 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000008728314 569472393 /nfs/dbraw/zinc/47/23/93/569472393.db2.gz NMOUYZMNGZBHSJ-UHFFFAOYSA-N 0 0 432.505 4.653 50 0 IJAARN Cc1c(-c2ccccc2)sc(NC(=O)Cc2ccc(C)cc2)c1C(=O)N1CCOCC1 ZINC000008728194 569472431 /nfs/dbraw/zinc/47/24/31/569472431.db2.gz QRGMFMSJQJHWHG-UHFFFAOYSA-N 0 0 434.561 4.686 50 0 IJAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000008735915 569472651 /nfs/dbraw/zinc/47/26/51/569472651.db2.gz XPYLTNLPZWXFIZ-UHFFFAOYSA-N 0 0 446.319 4.559 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008752148 569473539 /nfs/dbraw/zinc/47/35/39/569473539.db2.gz MVFFZDMFDNIJOI-UHFFFAOYSA-N 0 0 434.467 4.593 50 0 IJAARN Cc1sc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000008754672 569473835 /nfs/dbraw/zinc/47/38/35/569473835.db2.gz ZHAUWMKIJXRZQE-GOSISDBHSA-N 0 0 427.595 4.768 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000008758537 569474237 /nfs/dbraw/zinc/47/42/37/569474237.db2.gz PAFLPHFLQUYCRZ-FQEVSTJZSA-N 0 0 441.531 4.817 50 0 IJAARN COc1ccc(-c2ccnc(-c3ccc(OS(=O)(=O)c4ccc(OC)cc4)cc3)n2)cc1 ZINC000008762364 569474302 /nfs/dbraw/zinc/47/43/02/569474302.db2.gz LZYCFUCTPHEBDX-UHFFFAOYSA-N 0 0 448.500 4.596 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)N(C)Cc3cccs3)s2)cc1 ZINC000008770683 569475191 /nfs/dbraw/zinc/47/51/91/569475191.db2.gz FBDJOCSPUIVIPP-UHFFFAOYSA-N 0 0 437.637 4.651 50 0 IJAARN Cc1ccc([C@@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789105 569475869 /nfs/dbraw/zinc/47/58/69/569475869.db2.gz JZCQMWMZJHQOFI-IADCTJSHSA-N 0 0 449.554 4.708 50 0 biogenic IJAARN COc1ccc(CN2C[C@@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008786963 569475897 /nfs/dbraw/zinc/47/58/97/569475897.db2.gz NXERRXWHPVJMPI-DLBZAZTESA-N 0 0 444.362 4.755 50 0 IJAARN CC(C)CN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789199 569475919 /nfs/dbraw/zinc/47/59/19/569475919.db2.gz CIFGKXNDGZFFBX-DFBJGRDBSA-N 0 0 435.955 4.509 50 0 biogenic IJAARN COc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1OC ZINC000008789359 569475948 /nfs/dbraw/zinc/47/59/48/569475948.db2.gz FCEDIGZIPNZKIN-CLCOLTQESA-N 0 0 425.440 4.852 50 0 biogenic IJAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c(OC)c1 ZINC000008791192 569476141 /nfs/dbraw/zinc/47/61/41/569476141.db2.gz RLNITHZXTDDKDW-UHFFFAOYSA-N 0 0 449.503 4.731 50 0 biogenic IJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)c1 ZINC000008791395 569476212 /nfs/dbraw/zinc/47/62/12/569476212.db2.gz GCHYBQCOVZRPAV-UHFFFAOYSA-N 0 0 447.487 4.925 50 0 biogenic IJAARN COc1ccc(CNC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)c(OC)c1 ZINC000008791699 569476240 /nfs/dbraw/zinc/47/62/40/569476240.db2.gz DMJBAYDEFWARER-UHFFFAOYSA-N 0 0 449.503 4.649 50 0 biogenic IJAARN CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000008824743 569477228 /nfs/dbraw/zinc/47/72/28/569477228.db2.gz CDIAQYTZZROABH-LBPRGKRZSA-N 0 0 439.493 4.585 50 0 IJAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1 ZINC000008824952 569477293 /nfs/dbraw/zinc/47/72/93/569477293.db2.gz CVCPOTWBVNIOFI-UHFFFAOYSA-N 0 0 433.508 4.853 50 0 IJAARN COc1cc(CCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc(OC)c1OC ZINC000008825220 569477347 /nfs/dbraw/zinc/47/73/47/569477347.db2.gz CXICFWVMZYXKPH-UHFFFAOYSA-N 0 0 434.464 4.685 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3F)C3CC3)c2)cc1 ZINC000008825691 569477426 /nfs/dbraw/zinc/47/74/26/569477426.db2.gz YVTWEHYLTGOWAY-UHFFFAOYSA-N 0 0 438.524 4.740 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000008826091 569477496 /nfs/dbraw/zinc/47/74/96/569477496.db2.gz NADALLKVRAXIQZ-GOSISDBHSA-N 0 0 442.705 4.804 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2N1Cc1ccccc1 ZINC000008840643 569478340 /nfs/dbraw/zinc/47/83/40/569478340.db2.gz VFNJIOHOBWPWSY-UHFFFAOYSA-N 0 0 426.925 4.620 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1C ZINC000008840824 569478445 /nfs/dbraw/zinc/47/84/45/569478445.db2.gz DXMKFCDMRJZCCU-UHFFFAOYSA-N 0 0 428.598 4.965 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000008845042 569478678 /nfs/dbraw/zinc/47/86/78/569478678.db2.gz XMNZCGUYKXMOKD-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCOc1ccc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845248 569478698 /nfs/dbraw/zinc/47/86/98/569478698.db2.gz XKOJUBFHVLTKPJ-XMMPIXPASA-N 0 0 429.476 4.828 50 0 IJAARN COc1cccc(CCNC(=O)c2sc(NC(=O)Nc3ccc(Cl)cc3)nc2C)c1 ZINC000008847916 569479122 /nfs/dbraw/zinc/47/91/22/569479122.db2.gz LFZBLILNCVXZEV-UHFFFAOYSA-N 0 0 444.944 4.730 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000008851571 569479383 /nfs/dbraw/zinc/47/93/83/569479383.db2.gz RETOWOXPOXWCMX-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 ZINC000008851564 569479408 /nfs/dbraw/zinc/47/94/08/569479408.db2.gz NBLVNZSHLZVCHB-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1F ZINC000008852092 569479440 /nfs/dbraw/zinc/47/94/40/569479440.db2.gz XMKSIOYJJVWRLU-UHFFFAOYSA-N 0 0 433.505 4.642 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3n2C)cc1 ZINC000008860875 569479943 /nfs/dbraw/zinc/47/99/43/569479943.db2.gz YXXAGPZHXINDFO-UHFFFAOYSA-N 0 0 446.532 4.565 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000008862382 569480131 /nfs/dbraw/zinc/48/01/31/569480131.db2.gz YRJGPDSSRNUKCZ-UHFFFAOYSA-N 0 0 428.867 4.542 50 0 IJAARN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008867949 569480338 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CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000040119547 569489427 /nfs/dbraw/zinc/48/94/27/569489427.db2.gz VTFBUQSFQPKXGV-UHFFFAOYSA-N 0 0 431.323 4.916 50 0 IJAARN O=C(Nc1ccccc1Br)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040128118 569489738 /nfs/dbraw/zinc/48/97/38/569489738.db2.gz VZAMIKPUXOMWMR-LBPRGKRZSA-N 0 0 428.252 4.718 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3Cl)c(=O)c3nc(C)sc32)cc1OC ZINC000008955743 569490178 /nfs/dbraw/zinc/49/01/78/569490178.db2.gz WUUSXVNTIGYWJU-UHFFFAOYSA-N 0 0 427.913 4.547 50 0 IJAARN CC(C)CN1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000008959003 569490301 /nfs/dbraw/zinc/49/03/01/569490301.db2.gz YIOAJNFJOKQYEV-UHFFFAOYSA-N 0 0 430.932 4.765 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000008959312 569490336 /nfs/dbraw/zinc/49/03/36/569490336.db2.gz XGAXHVPTDLGIBV-UHFFFAOYSA-N 0 0 440.540 4.510 50 0 IJAARN COc1cccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000008959311 569490354 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CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009058899 569499289 /nfs/dbraw/zinc/49/92/89/569499289.db2.gz ILOKHKQBUKYISG-FQEVSTJZSA-N 0 0 436.515 4.851 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000009076540 569500307 /nfs/dbraw/zinc/50/03/07/569500307.db2.gz XEGYAPNTEQHAQX-UHFFFAOYSA-N 0 0 436.489 4.739 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)c1 ZINC000009091482 569501216 /nfs/dbraw/zinc/50/12/16/569501216.db2.gz ARQCATVCODEQPI-CQSZACIVSA-N 0 0 445.972 4.834 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCCc1ccccc1 ZINC000009095202 569501348 /nfs/dbraw/zinc/50/13/48/569501348.db2.gz FGOZBPRIKOWWTK-MHZLTWQESA-N 0 0 437.543 4.771 50 0 IJAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(Cl)cc4)c(=O)n3n2)c1 ZINC000069350742 569501748 /nfs/dbraw/zinc/50/17/48/569501748.db2.gz ROOUGFFTNWBVMU-UHFFFAOYSA-N 0 0 428.879 4.556 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(C)o2)cc1OC ZINC000245276768 569501935 /nfs/dbraw/zinc/50/19/35/569501935.db2.gz VVGRSXFEMJPZSW-IIDMSEBBSA-N 0 0 432.586 4.841 50 0 IJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)Nc3ccccc3F)c3ccccc32)CC1 ZINC000009118481 569503417 /nfs/dbraw/zinc/50/34/17/569503417.db2.gz OELWJYLFNWMQIX-UHFFFAOYSA-N 0 0 439.556 4.770 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1ccc2c(c1)OCO2 ZINC000009119358 569503500 /nfs/dbraw/zinc/50/35/00/569503500.db2.gz CMLZZSHEAUAZFQ-UHFFFAOYSA-N 0 0 443.528 4.881 50 0 IJAARN CCN(CC(=O)NCc1cccs1)C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000009125374 569504652 /nfs/dbraw/zinc/50/46/52/569504652.db2.gz SWTWRAAVQSJCJX-UHFFFAOYSA-N 0 0 448.544 4.852 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3cccs3)n2Cc2ccco2)c1 ZINC000009126350 569504911 /nfs/dbraw/zinc/50/49/11/569504911.db2.gz KQUBOETZWLPSCE-MRXNPFEDSA-N 0 0 438.578 4.926 50 0 IJAARN Cc1ncc(C(=O)O[C@H](c2ccccc2)C2CCN(C(=O)c3cnc(C)s3)CC2)s1 ZINC000069394535 569505283 /nfs/dbraw/zinc/50/52/83/569505283.db2.gz RRVXCBBKIMJNTO-HXUWFJFHSA-N 0 0 441.578 4.667 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nn(-c2cccc(Cl)c2)ccc1=O ZINC000009130071 569505921 /nfs/dbraw/zinc/50/59/21/569505921.db2.gz HHARXQZJOROPFV-UHFFFAOYSA-N 0 0 428.197 4.810 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000040485608 569506818 /nfs/dbraw/zinc/50/68/18/569506818.db2.gz JINCLAROTAFNQE-HSZRJFAPSA-N 0 0 429.472 4.535 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)nn2c(C)c1Cc1ccccc1 ZINC000009134181 569507061 /nfs/dbraw/zinc/50/70/61/569507061.db2.gz OALMPIHTUGFKMF-UHFFFAOYSA-N 0 0 439.441 4.532 50 0 IJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc3c(c2)OCO3)N1 ZINC000009139555 569507213 /nfs/dbraw/zinc/50/72/13/569507213.db2.gz PASKRJCYRUXANN-QFIPXVFZSA-N 0 0 427.485 4.947 50 0 IJAARN Cc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)c(C)c3)nc2n1 ZINC000009144410 569507328 /nfs/dbraw/zinc/50/73/28/569507328.db2.gz INHGIDOBWCQMFC-UHFFFAOYSA-N 0 0 441.560 4.954 50 0 IJAARN COc1cc(NC(=O)Cn2c(SCc3ccc(C)cc3)nc3cccnc32)cc(OC)c1 ZINC000009151411 569507509 /nfs/dbraw/zinc/50/75/09/569507509.db2.gz UKNMXXPPIQDRHG-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)NC1CCCCC1 ZINC000009152334 569507710 /nfs/dbraw/zinc/50/77/10/569507710.db2.gz XJKMCHDMFCXOKZ-UHFFFAOYSA-N 0 0 444.984 4.718 50 0 IJAARN CCCn1c2ccccc2c2cnn(CC(=O)N(Cc3ccco3)C3CCCCC3)c(=O)c21 ZINC000009153438 569508056 /nfs/dbraw/zinc/50/80/56/569508056.db2.gz AYDWMVRLFCYMCD-UHFFFAOYSA-N 0 0 446.551 4.716 50 0 IJAARN COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4Cl)nc3C2)cc1 ZINC000009158437 569508550 /nfs/dbraw/zinc/50/85/50/569508550.db2.gz MFEYXTPACAHFOG-ZDUSSCGKSA-N 0 0 442.302 4.957 50 0 IJAARN CN1c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2OCC(C)(C)C1=O ZINC000009165923 569508866 /nfs/dbraw/zinc/50/88/66/569508866.db2.gz GLWPCSNEPDZEEB-UHFFFAOYSA-N 0 0 436.533 4.536 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1C ZINC000009168188 569509105 /nfs/dbraw/zinc/50/91/05/569509105.db2.gz PXPMCLOZGHPREN-UHFFFAOYSA-N 0 0 444.597 4.820 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000009190068 569510537 /nfs/dbraw/zinc/51/05/37/569510537.db2.gz BRRRJTLZHBWUGF-UHFFFAOYSA-N 0 0 431.945 4.914 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009190498 569510562 /nfs/dbraw/zinc/51/05/62/569510562.db2.gz TWPWVKFVWHJIPD-CGIBVWHJSA-N 0 0 431.985 4.693 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009196910 569510985 /nfs/dbraw/zinc/51/09/85/569510985.db2.gz KGSWRQCWTXMHLY-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009196936 569511018 /nfs/dbraw/zinc/51/10/18/569511018.db2.gz ZAHFGISURUBCRB-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009197925 569511039 /nfs/dbraw/zinc/51/10/39/569511039.db2.gz QNHAJNSSNDNKCK-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN Cc1cccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)c1 ZINC000009199367 569511105 /nfs/dbraw/zinc/51/11/05/569511105.db2.gz RHCULFYGHYKJJI-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)c4cccc(Cl)c4)cc3C2)cc1 ZINC000009203739 569511284 /nfs/dbraw/zinc/51/12/84/569511284.db2.gz TXVVCWUIDKRQFC-UHFFFAOYSA-N 0 0 440.952 4.648 50 0 IJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009207467 569511468 /nfs/dbraw/zinc/51/14/68/569511468.db2.gz IPYXKFBYOYMGFF-OAHLLOKOSA-N 0 0 448.504 4.684 50 0 IJAARN Clc1cccc(-c2noc([C@@H]3CC34CCN(Cc3nc(-c5ccco5)no3)CC4)n2)c1 ZINC000069652390 569511481 /nfs/dbraw/zinc/51/14/81/569511481.db2.gz NFEPIBORBCULLI-INIZCTEOSA-N 0 0 437.887 4.803 50 0 IJAARN COc1ccc(-c2noc(CSCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1OC ZINC000009211330 569511739 /nfs/dbraw/zinc/51/17/39/569511739.db2.gz IVHRNBBGANOOEP-UHFFFAOYSA-N 0 0 427.526 4.749 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000009212055 569511963 /nfs/dbraw/zinc/51/19/63/569511963.db2.gz NFWGZKCMHNGYJE-HKBQPEDESA-N 0 0 434.517 4.789 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009217788 569512304 /nfs/dbraw/zinc/51/23/04/569512304.db2.gz HJEWFBNUJNRTCV-VWLOTQADSA-N 0 0 429.520 4.922 50 0 IJAARN COc1ccc(C[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccc(OC)cc2)cc1 ZINC000009217990 569512386 /nfs/dbraw/zinc/51/23/86/569512386.db2.gz VGMZFMFVORFFDT-VWLOTQADSA-N 0 0 444.531 4.544 50 0 IJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000009223108 569512868 /nfs/dbraw/zinc/51/28/68/569512868.db2.gz PADFIYYVHLTEOQ-UHFFFAOYSA-N 0 0 438.480 4.958 50 0 IJAARN CSc1ncc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)n1-c1ccccc1 ZINC000009224110 569513131 /nfs/dbraw/zinc/51/31/31/569513131.db2.gz DEKJKDYSWYDIEM-UHFFFAOYSA-N 0 0 431.565 4.669 50 0 IJAARN COc1ccc(OC)c(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c1 ZINC000009224693 569513203 /nfs/dbraw/zinc/51/32/03/569513203.db2.gz BTODQYLWBNYNCX-UHFFFAOYSA-N 0 0 439.475 4.578 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ncn(-c3ccccc3)n2)c1 ZINC000009226120 569513254 /nfs/dbraw/zinc/51/32/54/569513254.db2.gz NBONTOIWBDSYBI-UHFFFAOYSA-N 0 0 443.532 4.559 50 0 IJAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cn1 ZINC000009227302 569513383 /nfs/dbraw/zinc/51/33/83/569513383.db2.gz QHHKGJTXPWWJCK-UHFFFAOYSA-N 0 0 432.307 4.507 50 0 IJAARN CCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227827 569513543 /nfs/dbraw/zinc/51/35/43/569513543.db2.gz VHQBABJYGPHUDL-UHFFFAOYSA-N 0 0 446.979 4.780 50 0 IJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000009233562 569513882 /nfs/dbraw/zinc/51/38/82/569513882.db2.gz MUXGDBSIMWSINE-QGMBQPNBSA-N 0 0 425.897 4.805 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000009237141 569514179 /nfs/dbraw/zinc/51/41/79/569514179.db2.gz UWIBFTMYKONKAA-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN CCCN(CCC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(C)cc1 ZINC000009238680 569514346 /nfs/dbraw/zinc/51/43/46/569514346.db2.gz JVFMSYAGELZABS-LEWJYISDSA-N 0 0 435.597 4.661 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2ccco2)C3=O)cc1Cl ZINC000009242984 569514760 /nfs/dbraw/zinc/51/47/60/569514760.db2.gz DGRQFBCHZGUSKI-JOCHJYFZSA-N 0 0 435.867 4.788 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(CCCO)C3=O)cc1Cl ZINC000009242982 569514772 /nfs/dbraw/zinc/51/47/72/569514772.db2.gz MJROCMIFQPULHE-HSZRJFAPSA-N 0 0 439.943 4.795 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000009245790 569515462 /nfs/dbraw/zinc/51/54/62/569515462.db2.gz ORMMQKIGRAMYPA-QHCPKHFHSA-N 0 0 436.577 4.740 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009254825 569516449 /nfs/dbraw/zinc/51/64/49/569516449.db2.gz LKGMQRVSJWZOEL-UHFFFAOYSA-N 0 0 429.523 4.961 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)no1 ZINC000009255595 569516583 /nfs/dbraw/zinc/51/65/83/569516583.db2.gz MTQXWGVWOYSOLI-UHFFFAOYSA-N 0 0 435.867 4.956 50 0 IJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1c(Cl)cc(OC)cc1OC ZINC000009269112 569517558 /nfs/dbraw/zinc/51/75/58/569517558.db2.gz CURWFBOOXNKENL-UHFFFAOYSA-N 0 0 436.917 4.684 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000009284529 569519055 /nfs/dbraw/zinc/51/90/55/569519055.db2.gz RCYQXTASAQHFEW-UHFFFAOYSA-N 0 0 430.913 4.635 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C(C)C)c(C)c1 ZINC000009289860 569519657 /nfs/dbraw/zinc/51/96/57/569519657.db2.gz BRIZPVRPHRKPER-UHFFFAOYSA-N 0 0 436.581 4.736 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 ZINC000009292443 569520032 /nfs/dbraw/zinc/52/00/32/569520032.db2.gz GQIXULRPFYRFST-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC(=O)Nc1c(F)cccc1F ZINC000009318310 569522410 /nfs/dbraw/zinc/52/24/10/569522410.db2.gz AUMMISZPFUOERK-UHFFFAOYSA-N 0 0 449.807 4.536 50 0 IJAARN CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000009320803 569522578 /nfs/dbraw/zinc/52/25/78/569522578.db2.gz BTUXKVKMGHHUJI-UHFFFAOYSA-N 0 0 427.547 4.556 50 0 IJAARN O=C(COc1ccccc1F)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCO2 ZINC000009328405 569522873 /nfs/dbraw/zinc/52/28/73/569522873.db2.gz UPLJOKNHGCXMOL-UHFFFAOYSA-N 0 0 433.391 4.549 50 0 IJAARN Cc1cc(S(=O)(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)ccc1Br ZINC000009336014 569523372 /nfs/dbraw/zinc/52/33/72/569523372.db2.gz BZJAAOXNDWEWMH-NSHDSACASA-N 0 0 444.301 4.542 50 0 IJAARN CC(C)COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000009339747 569523787 /nfs/dbraw/zinc/52/37/87/569523787.db2.gz UGULUEJANYJYHW-KOEQRZSOSA-N 0 0 428.532 4.809 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1C[C@@H](O)c1ccccc1 ZINC000009344845 569524020 /nfs/dbraw/zinc/52/40/20/569524020.db2.gz GYMSSNWHVYYXQN-DENIHFKCSA-N 0 0 449.865 4.864 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009350367 569524806 /nfs/dbraw/zinc/52/48/06/569524806.db2.gz PQJVIEMXYSSRFX-RCZVLFRGSA-N 0 0 441.531 4.835 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)s1)Nc1ccccc1 ZINC000009364057 569526010 /nfs/dbraw/zinc/52/60/10/569526010.db2.gz HABVBDLLBJBQSD-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN O=C(COc1ccccc1)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000009366794 569526293 /nfs/dbraw/zinc/52/62/93/569526293.db2.gz YBAXNKUGSSUXFR-UHFFFAOYSA-N 0 0 436.356 4.610 50 0 IJAARN COc1ccc(OCc2nnc(SCc3c(C)noc3C)n2-c2ccccc2F)cc1 ZINC000009367946 569526559 /nfs/dbraw/zinc/52/65/59/569526559.db2.gz ZXCMBEZRZUKHGN-UHFFFAOYSA-N 0 0 440.500 4.891 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)N1CCc2ccccc21 ZINC000009368234 569526585 /nfs/dbraw/zinc/52/65/85/569526585.db2.gz XQZFQHCPYATTEP-UHFFFAOYSA-N 0 0 446.557 4.625 50 0 IJAARN C[C@@H](c1nnc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(Cl)cc1)N(C)C ZINC000009368739 569526642 /nfs/dbraw/zinc/52/66/42/569526642.db2.gz NWBZLMFAJUUODK-AWEZNQCLSA-N 0 0 440.960 4.886 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2scc(-c3ccccc3)c21 ZINC000009376336 569527300 /nfs/dbraw/zinc/52/73/00/569527300.db2.gz AYFSEBJFOFOAIM-OAHLLOKOSA-N 0 0 444.516 4.501 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000009377578 569527490 /nfs/dbraw/zinc/52/74/90/569527490.db2.gz XGSJUSARYMYULO-VWLOTQADSA-N 0 0 429.520 4.922 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc21 ZINC000009378782 569527665 /nfs/dbraw/zinc/52/76/65/569527665.db2.gz CWOUTRBJUFYWMX-UHFFFAOYSA-N 0 0 431.492 4.757 50 0 IJAARN Cc1ccc2nc(NC(=O)CSc3nnc(-c4c[nH]c5ccccc54)n3C)sc2c1 ZINC000009382284 569528221 /nfs/dbraw/zinc/52/82/21/569528221.db2.gz UHTGKSHOZNTGRV-UHFFFAOYSA-N 0 0 434.550 4.612 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1nnc(C2CC2)s1)NC1CCCCCCC1 ZINC000009387671 569528482 /nfs/dbraw/zinc/52/84/82/569528482.db2.gz RRMMSNWJAPFHPJ-UHFFFAOYSA-N 0 0 444.626 4.989 50 0 IJAARN COc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)cc1 ZINC000009390976 569528838 /nfs/dbraw/zinc/52/88/38/569528838.db2.gz ZZICNYPLLCESJZ-UHFFFAOYSA-N 0 0 431.517 4.798 50 0 IJAARN COc1cc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2C)cc(OC)c1OC ZINC000009391177 569528868 /nfs/dbraw/zinc/52/88/68/569528868.db2.gz DBNZEWUGECIVEE-JOCHJYFZSA-N 0 0 437.565 4.624 50 0 IJAARN Cc1ccc(C(=O)NCCn2cc(SCC(=O)NC3CCCC3)c3ccccc32)cc1C ZINC000009394728 569529128 /nfs/dbraw/zinc/52/91/28/569529128.db2.gz NDDFYBSISSMJKW-UHFFFAOYSA-N 0 0 449.620 4.839 50 0 IJAARN CSc1ccc(CCNC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)cc1 ZINC000009407835 569530339 /nfs/dbraw/zinc/53/03/39/569530339.db2.gz UYPWIXLOOZDXOK-UHFFFAOYSA-N 0 0 447.608 4.525 50 0 IJAARN CCOc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000009409418 569530965 /nfs/dbraw/zinc/53/09/65/569530965.db2.gz ILYPPEWXZBAJNG-UHFFFAOYSA-N 0 0 427.917 4.970 50 0 IJAARN O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000009410020 569531216 /nfs/dbraw/zinc/53/12/16/569531216.db2.gz QCBRPYZTAPSBDJ-FQEVSTJZSA-N 0 0 441.462 4.629 50 0 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/nfs/dbraw/zinc/53/22/42/569532242.db2.gz DWMZYDNVHQBHLM-IBGZPJMESA-N 0 0 433.957 4.785 50 0 IJAARN Cc1cccc(CSc2nnc(CCNC(=O)c3ccccc3F)n2-c2ccccc2)c1 ZINC000009426784 569533330 /nfs/dbraw/zinc/53/33/30/569533330.db2.gz UZHXGXCRXWDIGR-UHFFFAOYSA-N 0 0 446.551 4.980 50 0 IJAARN Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000009431401 569534181 /nfs/dbraw/zinc/53/41/81/569534181.db2.gz RKIYUKUSILNYMM-CQSZACIVSA-N 0 0 437.970 4.594 50 0 IJAARN CCN(C(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1cccc(Cl)c1 ZINC000009431625 569534231 /nfs/dbraw/zinc/53/42/31/569534231.db2.gz CYSOOVPLPRBWJZ-KRWDZBQOSA-N 0 0 440.931 4.668 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)[C@H]1c1cccs1 ZINC000009432817 569534476 /nfs/dbraw/zinc/53/44/76/569534476.db2.gz MFBDSJKCAVNWLU-DHIUTWEWSA-N 0 0 448.544 4.517 50 0 IJAARN O=C(c1ccccc1)N1CCCC[C@H](Sc2ncnc3sc4c(c32)CCCC4)C1=O ZINC000009434069 569534684 /nfs/dbraw/zinc/53/46/84/569534684.db2.gz CIJKIYXJCHCXMJ-SFHVURJKSA-N 0 0 437.590 4.884 50 0 IJAARN COc1cc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)cc(OC)c1OC ZINC000009447122 569536020 /nfs/dbraw/zinc/53/60/20/569536020.db2.gz WEYPNDDXQOVSTE-UHFFFAOYSA-N 0 0 437.473 4.800 50 0 IJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009451443 569536397 /nfs/dbraw/zinc/53/63/97/569536397.db2.gz UVLSDJPESXPKHR-QFIPXVFZSA-N 0 0 429.520 4.888 50 0 IJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009460425 569536967 /nfs/dbraw/zinc/53/69/67/569536967.db2.gz BFHDYNXYAFCSAZ-UHFFFAOYSA-N 0 0 448.573 4.897 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1OC ZINC000009461005 569537014 /nfs/dbraw/zinc/53/70/14/569537014.db2.gz OJZXSPDCUQDWLN-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3sccc3C)cc2)cc1 ZINC000009464163 569537617 /nfs/dbraw/zinc/53/76/17/569537617.db2.gz XEURLINADQLYOL-UHFFFAOYSA-N 0 0 437.565 4.778 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)c1 ZINC000009464757 569537784 /nfs/dbraw/zinc/53/77/84/569537784.db2.gz HAVBVDYWAJPFQD-UHFFFAOYSA-N 0 0 426.611 4.633 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(Cl)ccc4F)c(=O)c23)s1 ZINC000009464937 569537801 /nfs/dbraw/zinc/53/78/01/569537801.db2.gz SYYXEUQCFRUCRQ-UHFFFAOYSA-N 0 0 433.917 4.926 50 0 IJAARN COc1ccc(CNc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 ZINC000009477963 569539257 /nfs/dbraw/zinc/53/92/57/569539257.db2.gz OAFAJQYYBAVCGI-LJQANCHMSA-N 0 0 440.594 4.615 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F ZINC000009490506 569540168 /nfs/dbraw/zinc/54/01/68/569540168.db2.gz SDQANSXWGDCZHL-UHFFFAOYSA-N 0 0 448.466 4.567 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1c[nH]c2ccccc21 ZINC000009492268 569540560 /nfs/dbraw/zinc/54/05/60/569540560.db2.gz HCUISSVWLLUVKT-QGZVFWFLSA-N 0 0 436.512 4.720 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N[C@@H](C)C(C)C)nc3ccccc3c2=O)cc1Cl ZINC000009493279 569540698 /nfs/dbraw/zinc/54/06/98/569540698.db2.gz IHJLJUBVKYZWQS-HNNXBMFYSA-N 0 0 429.973 4.600 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2)c1 ZINC000009493678 569540789 /nfs/dbraw/zinc/54/07/89/569540789.db2.gz LRBFAXLQRYGLOY-UHFFFAOYSA-N 0 0 425.510 4.554 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000009507432 569542025 /nfs/dbraw/zinc/54/20/25/569542025.db2.gz CJHZUBWNEJRQRC-UHFFFAOYSA-N 0 0 434.439 4.571 50 0 IJAARN COc1ccc(Br)cc1CN(C)Cn1nc(-c2cccs2)[nH]c1=S ZINC000009507682 569542135 /nfs/dbraw/zinc/54/21/35/569542135.db2.gz ZORMNUIULCEKHO-UHFFFAOYSA-N 0 0 425.377 4.530 50 0 IJAARN O=C(COc1ccc(Br)cc1CO)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009508599 569542359 /nfs/dbraw/zinc/54/23/59/569542359.db2.gz XYZRMZROMATKFR-UHFFFAOYSA-N 0 0 438.627 4.631 50 0 IJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Nc3ccc(OC)cc3)c2c1C ZINC000009509050 569542457 /nfs/dbraw/zinc/54/24/57/569542457.db2.gz LLBNWQRMBXTBPU-UHFFFAOYSA-N 0 0 440.569 4.915 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c(OC)c1 ZINC000009509580 569542575 /nfs/dbraw/zinc/54/25/75/569542575.db2.gz MWCLFZCUMYRTEI-UHFFFAOYSA-N 0 0 425.485 4.863 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000009510152 569542679 /nfs/dbraw/zinc/54/26/79/569542679.db2.gz YSDCYDQVCJQNIR-MRXNPFEDSA-N 0 0 441.984 4.591 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000009513091 569543076 /nfs/dbraw/zinc/54/30/76/569543076.db2.gz YZGBZWGDXKRWIW-UHFFFAOYSA-N 0 0 429.501 4.504 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)n[nH]2)cc1 ZINC000009513949 569543144 /nfs/dbraw/zinc/54/31/44/569543144.db2.gz NSMOZFKDUKUSLS-QGZVFWFLSA-N 0 0 449.561 4.905 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccccc1N1CCCC1 ZINC000009516119 569543460 /nfs/dbraw/zinc/54/34/60/569543460.db2.gz ITTVPORHOICIEF-UHFFFAOYSA-N 0 0 425.583 4.673 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009516686 569543484 /nfs/dbraw/zinc/54/34/84/569543484.db2.gz YIVXOKFXLFYLPO-JOCHJYFZSA-N 0 0 434.492 4.619 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000009517741 569543804 /nfs/dbraw/zinc/54/38/04/569543804.db2.gz GQPBVPXNLQTXEL-UHFFFAOYSA-N 0 0 433.537 4.562 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000009518387 569544004 /nfs/dbraw/zinc/54/40/04/569544004.db2.gz OWCCNOHZXMLCDR-UHFFFAOYSA-N 0 0 436.370 4.944 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1OC ZINC000009518445 569544089 /nfs/dbraw/zinc/54/40/89/569544089.db2.gz BSGCELRHSMJVMU-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(S(C)(=O)=O)c3)nc21 ZINC000009524417 569544524 /nfs/dbraw/zinc/54/45/24/569544524.db2.gz MZYDKDGLYDCDHP-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCn3cccc3[C@@H]2Cc2ccccc2)cc1Cl ZINC000009528216 569544687 /nfs/dbraw/zinc/54/46/87/569544687.db2.gz JKKTUSPQLDUAMM-FQEVSTJZSA-N 0 0 425.916 4.990 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000009530872 569545068 /nfs/dbraw/zinc/54/50/68/569545068.db2.gz PISOVWBWVCBKMP-OAHLLOKOSA-N 0 0 441.491 4.651 50 0 IJAARN COc1cccc(-c2nc(CSc3nnnn3-c3ccc(Cl)cc3)cs2)c1OC ZINC000009544766 569546017 /nfs/dbraw/zinc/54/60/17/569546017.db2.gz AYFZCSKGJXVKNV-UHFFFAOYSA-N 0 0 445.957 4.749 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000009546408 569546283 /nfs/dbraw/zinc/54/62/83/569546283.db2.gz JBQXNFHEDOZCRU-UHFFFAOYSA-N 0 0 426.472 4.688 50 0 IJAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3cccc(O)c3)ccc2c1=O ZINC000009548024 569546463 /nfs/dbraw/zinc/54/64/63/569546463.db2.gz BMLSXSPGIWNYHX-UHFFFAOYSA-N 0 0 447.443 4.625 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)CC2CCCCC2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009558992 569546878 /nfs/dbraw/zinc/54/68/78/569546878.db2.gz QTVPSUQTWJUGHM-UHFFFAOYSA-N 0 0 432.586 4.964 50 0 IJAARN CC(C)Cn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccco1 ZINC000009567112 569547369 /nfs/dbraw/zinc/54/73/69/569547369.db2.gz ITLIKAWTFRRKPT-UHFFFAOYSA-N 0 0 438.597 4.768 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2nccs2)nn1 ZINC000009578191 569548260 /nfs/dbraw/zinc/54/82/60/569548260.db2.gz DUEXCGMCLUQPRP-UHFFFAOYSA-N 0 0 443.554 4.902 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)cc1 ZINC000009579202 569548433 /nfs/dbraw/zinc/54/84/33/569548433.db2.gz IDRVSLLHQJFKLP-VXGBXAGGSA-N 0 0 449.349 4.731 50 0 IJAARN C[C@H](NC(=O)[C@H](C)Sc1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)cc1 ZINC000009579203 569548488 /nfs/dbraw/zinc/54/84/88/569548488.db2.gz IDRVSLLHQJFKLP-RYUDHWBXSA-N 0 0 449.349 4.731 50 0 IJAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NCc1ccc(Cl)cc1 ZINC000009583203 569549284 /nfs/dbraw/zinc/54/92/84/569549284.db2.gz GDEQIVVJTRAQQX-UHFFFAOYSA-N 0 0 425.963 4.864 50 0 IJAARN CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000009584129 569549338 /nfs/dbraw/zinc/54/93/38/569549338.db2.gz HDBMRBOKAVDQEY-IBGZPJMESA-N 0 0 426.973 4.904 50 0 IJAARN Cc1cccc(N(CCCC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 ZINC000009584548 569549442 /nfs/dbraw/zinc/54/94/42/569549442.db2.gz BPLBUPGXKXZSGV-UHFFFAOYSA-N 0 0 438.549 4.972 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009592134 569550280 /nfs/dbraw/zinc/55/02/80/569550280.db2.gz IZQGMBFTFRDAPP-INIZCTEOSA-N 0 0 443.528 4.823 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009592297 569550292 /nfs/dbraw/zinc/55/02/92/569550292.db2.gz PMMGKBQRCGIFOZ-LJQANCHMSA-N 0 0 436.464 4.764 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCC2)c1 ZINC000009593191 569550385 /nfs/dbraw/zinc/55/03/85/569550385.db2.gz SMAVUXDOPGUQEA-UHFFFAOYSA-N 0 0 434.989 4.613 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1 ZINC000009597152 569550879 /nfs/dbraw/zinc/55/08/79/569550879.db2.gz NSVLKSRZLZODGY-UHFFFAOYSA-N 0 0 435.597 4.807 50 0 IJAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000009599041 569551133 /nfs/dbraw/zinc/55/11/33/569551133.db2.gz XTAORQVUMRWAQI-UHFFFAOYSA-N 0 0 428.916 4.731 50 0 IJAARN COc1cccc(C(=O)N2c3ccccc3N3C(c4c(C)c(C)cc(C)c4C)=NON23)c1 ZINC000009600716 569551540 /nfs/dbraw/zinc/55/15/40/569551540.db2.gz MZUBJNPHRUUZNB-UHFFFAOYSA-N 0 0 428.492 4.835 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)[C@@H]2c2cccs2)cc1 ZINC000009602117 569551639 /nfs/dbraw/zinc/55/16/39/569551639.db2.gz FOKFCRHEGSECSC-NTKDMRAZSA-N 0 0 448.544 4.641 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)Nc3ccccc3C)[C@@H]2c2cccs2)cc1 ZINC000009602121 569551675 /nfs/dbraw/zinc/55/16/75/569551675.db2.gz FOKFCRHEGSECSC-YADARESESA-N 0 0 448.544 4.641 50 0 IJAARN COc1ccc(OC)c(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000009607325 569552001 /nfs/dbraw/zinc/55/20/01/569552001.db2.gz SQQLJCXSUVXYFX-NRFANRHFSA-N 0 0 430.464 4.665 50 0 IJAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C1=O ZINC000009609282 569552318 /nfs/dbraw/zinc/55/23/18/569552318.db2.gz KPAZSVATCSVKHI-QHCPKHFHSA-N 0 0 432.867 4.510 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c1 ZINC000009609635 569552343 /nfs/dbraw/zinc/55/23/43/569552343.db2.gz GVJOUCWLCBDKIT-UHFFFAOYSA-N 0 0 430.483 4.926 50 0 IJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4C)c(C)n3n2)c(OC)c1 ZINC000009609947 569552459 /nfs/dbraw/zinc/55/24/59/569552459.db2.gz PGMVIXFRUKJMFI-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1C ZINC000009610757 569552639 /nfs/dbraw/zinc/55/26/39/569552639.db2.gz BXSXXRYVDLOBRM-UHFFFAOYSA-N 0 0 443.474 4.808 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3c(F)cc(F)cc3c2=O)cc1 ZINC000009610775 569552643 /nfs/dbraw/zinc/55/26/43/569552643.db2.gz FDLKONVIFFUIFT-UHFFFAOYSA-N 0 0 435.426 4.576 50 0 IJAARN Cc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N(C)C ZINC000009612505 569552856 /nfs/dbraw/zinc/55/28/56/569552856.db2.gz ZGPQGPXQAAFXAD-UHFFFAOYSA-N 0 0 441.578 4.847 50 0 IJAARN CC[C@H]1CCCCN1C(=O)COC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000009612753 569552928 /nfs/dbraw/zinc/55/29/28/569552928.db2.gz UIAUKFUJCSXMLD-IBGZPJMESA-N 0 0 433.504 4.716 50 0 IJAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000009622780 569553474 /nfs/dbraw/zinc/55/34/74/569553474.db2.gz LNBNWDYCXCNENP-UHFFFAOYSA-N 0 0 426.972 4.959 50 0 IJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)cc1 ZINC000009625454 569553543 /nfs/dbraw/zinc/55/35/43/569553543.db2.gz XZZXZKNVBDODGY-UHFFFAOYSA-N 0 0 428.945 4.650 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1ccc(C)cc1 ZINC000009632687 569554061 /nfs/dbraw/zinc/55/40/61/569554061.db2.gz LQQQUAZLQNFWPU-UHFFFAOYSA-N 0 0 432.307 4.651 50 0 IJAARN COc1ccc2c(CSc3nnc(-c4ccco4)n3Cc3ccccc3)cc(=O)oc2c1 ZINC000009633963 569554335 /nfs/dbraw/zinc/55/43/35/569554335.db2.gz UKQFKXSWUGKVRM-UHFFFAOYSA-N 0 0 445.500 4.994 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000009642120 569555765 /nfs/dbraw/zinc/55/57/65/569555765.db2.gz GQOAHWTZIKARHW-QHCPKHFHSA-N 0 0 439.533 4.524 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)cc2O)n1-c1ccc(C)cc1 ZINC000009643210 569555927 /nfs/dbraw/zinc/55/59/27/569555927.db2.gz HXBPSOFUBGYRDM-UHFFFAOYSA-N 0 0 447.516 4.638 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009646126 569556224 /nfs/dbraw/zinc/55/62/24/569556224.db2.gz XVPUKLZLUHXOIM-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1nc2ccc(F)cc2s1 ZINC000009647156 569556382 /nfs/dbraw/zinc/55/63/82/569556382.db2.gz ZFMLLWONDNAUBC-UHFFFAOYSA-N 0 0 443.504 4.899 50 0 IJAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc(OC)c1OC ZINC000009660253 569556725 /nfs/dbraw/zinc/55/67/25/569556725.db2.gz RZQDYCKKOQNCKE-UHFFFAOYSA-N 0 0 449.434 4.877 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009665802 569557660 /nfs/dbraw/zinc/55/76/60/569557660.db2.gz ZQHSBIMAZKTGLJ-UHFFFAOYSA-N 0 0 426.856 4.598 50 0 IJAARN COc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 ZINC000009668047 569557922 /nfs/dbraw/zinc/55/79/22/569557922.db2.gz XINIUAPOSQKLOQ-UHFFFAOYSA-N 0 0 446.528 4.579 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 ZINC000009670550 569558321 /nfs/dbraw/zinc/55/83/21/569558321.db2.gz QZMJRGOKTICWSR-UHFFFAOYSA-N 0 0 430.508 4.653 50 0 IJAARN O=C(CSc1nccn1-c1cccc(F)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009670721 569558408 /nfs/dbraw/zinc/55/84/08/569558408.db2.gz HOHZCOJARJWSMD-UHFFFAOYSA-N 0 0 436.512 4.651 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000009673235 569558937 /nfs/dbraw/zinc/55/89/37/569558937.db2.gz VNCJJNANIPHQDN-UXHICEINSA-N 0 0 426.925 4.959 50 0 IJAARN COCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccc(Cl)cc1 ZINC000009674152 569559086 /nfs/dbraw/zinc/55/90/86/569559086.db2.gz GIIRDUDNRWRCOG-UHFFFAOYSA-N 0 0 436.364 4.905 50 0 IJAARN COc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 ZINC000009674118 569559133 /nfs/dbraw/zinc/55/91/33/569559133.db2.gz ACVWMNKUURZVDD-UHFFFAOYSA-N 0 0 437.496 4.893 50 0 IJAARN COc1ccc2nc3oc(C(=O)NCc4cc(Br)ccc4OC)cc3cc2c1 ZINC000009678145 569559578 /nfs/dbraw/zinc/55/95/78/569559578.db2.gz HPANRVLVSBQJCA-UHFFFAOYSA-N 0 0 441.281 4.691 50 0 IJAARN CCN(CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)c1ccccc1 ZINC000009682242 569560302 /nfs/dbraw/zinc/56/03/02/569560302.db2.gz LGMCYFVAKWIHGD-UHFFFAOYSA-N 0 0 448.592 4.957 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(Br)c1)[nH]c1c2C(=O)CCC1 ZINC000009685968 569560719 /nfs/dbraw/zinc/56/07/19/569560719.db2.gz BXORTPQJTXIFQR-UHFFFAOYSA-N 0 0 447.354 4.813 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)c(OC)c1 ZINC000009690127 569560951 /nfs/dbraw/zinc/56/09/51/569560951.db2.gz PUBRNIOEPMSXNR-FQEVSTJZSA-N 0 0 436.533 4.995 50 0 IJAARN O=C(Nc1nnc(Cc2ccc3c(c2)OCCO3)o1)c1sc2ccccc2c1Cl ZINC000009702298 569561297 /nfs/dbraw/zinc/56/12/97/569561297.db2.gz ZAAGDJBONYKZIE-UHFFFAOYSA-N 0 0 427.869 4.552 50 0 IJAARN COc1ccc(C[C@H](NC(=O)c2ccc(Br)o2)c2ccc(OC)cc2)cc1 ZINC000009703924 569561429 /nfs/dbraw/zinc/56/14/29/569561429.db2.gz FJKPLZJHJGDQOT-SFHVURJKSA-N 0 0 430.298 4.773 50 0 IJAARN O=C(NCCSc1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Br)o1 ZINC000009713847 569562686 /nfs/dbraw/zinc/56/26/86/569562686.db2.gz YRXTUDPFXJLKEP-UHFFFAOYSA-N 0 0 426.723 4.608 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009717013 569563275 /nfs/dbraw/zinc/56/32/75/569563275.db2.gz NKSZHFZTLHEFPI-XMMPIXPASA-N 0 0 429.520 4.769 50 0 IJAARN COc1ccccc1N(Cc1coc(-c2cccs2)n1)S(=O)(=O)c1cccs1 ZINC000009729976 569564327 /nfs/dbraw/zinc/56/43/27/569564327.db2.gz XSUIHAILPNXNDN-UHFFFAOYSA-N 0 0 432.548 4.869 50 0 IJAARN CCc1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000009730611 569564451 /nfs/dbraw/zinc/56/44/51/569564451.db2.gz UQGWBEHXEGSFQR-SFHVURJKSA-N 0 0 438.549 4.835 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000009741599 569565272 /nfs/dbraw/zinc/56/52/72/569565272.db2.gz WFHYJDDDHZWZFA-OAHLLOKOSA-N 0 0 426.972 4.800 50 0 IJAARN CCn1c2ccccc2c(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1-c1ccccc1 ZINC000009748393 569565877 /nfs/dbraw/zinc/56/58/77/569565877.db2.gz KNGZRXODNPHRNA-AREMUKBSSA-N 0 0 441.487 4.571 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009751580 569566073 /nfs/dbraw/zinc/56/60/73/569566073.db2.gz HXGNONJRFZBLQM-UHFFFAOYSA-N 0 0 427.913 4.937 50 0 IJAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009752223 569566085 /nfs/dbraw/zinc/56/60/85/569566085.db2.gz MCXVNAUQRZGHAX-UHFFFAOYSA-N 0 0 427.913 4.855 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cc(F)ccc1C ZINC000009751676 569566120 /nfs/dbraw/zinc/56/61/20/569566120.db2.gz GMPPGAYFSYPKJM-UHFFFAOYSA-N 0 0 425.485 4.731 50 0 IJAARN Cc1sc2nc(C)nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)c2c1C ZINC000009781872 569567615 /nfs/dbraw/zinc/56/76/15/569567615.db2.gz ROTWPLBFJSFJMA-UHFFFAOYSA-N 0 0 427.534 4.559 50 0 IJAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000009789942 569568167 /nfs/dbraw/zinc/56/81/67/569568167.db2.gz PHIAOXUVZILARC-UHFFFAOYSA-N 0 0 428.561 4.882 50 0 IJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000009814845 569569140 /nfs/dbraw/zinc/56/91/40/569569140.db2.gz BVCZXZWHHJHPSY-UHFFFAOYSA-N 0 0 443.890 4.991 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000009814132 569569179 /nfs/dbraw/zinc/56/91/79/569569179.db2.gz GIPPGDMLUYYDIG-UHFFFAOYSA-N 0 0 426.900 4.638 50 0 IJAARN C[C@@H](Sc1nnnn1C1CCCC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009832143 569570251 /nfs/dbraw/zinc/57/02/51/569570251.db2.gz IJACMWOCPVICJX-SNVBAGLBSA-N 0 0 430.584 4.668 50 0 IJAARN Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009833394 569570321 /nfs/dbraw/zinc/57/03/21/569570321.db2.gz SWZUBGURZLNRQE-UHFFFAOYSA-N 0 0 434.496 4.696 50 0 IJAARN CC(C)c1ccc(N(C(=O)c2ccc(Br)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833952 569570536 /nfs/dbraw/zinc/57/05/36/569570536.db2.gz HZPJZDKFLIDVPZ-IBGZPJMESA-N 0 0 434.355 4.530 50 0 IJAARN CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(S(=O)(=O)c3ccccc3)c2c1 ZINC000009847429 569571141 /nfs/dbraw/zinc/57/11/41/569571141.db2.gz UFLUXDLBJUASBA-UHFFFAOYSA-N 0 0 447.512 4.706 50 0 IJAARN CC(C)OCCCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009850457 569571405 /nfs/dbraw/zinc/57/14/05/569571405.db2.gz BHIDEVVUVCESQE-MJGOQNOKSA-N 0 0 443.009 4.622 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1C ZINC000009858534 569571738 /nfs/dbraw/zinc/57/17/38/569571738.db2.gz LTHCZHGXUYWZFT-UHFFFAOYSA-N 0 0 449.555 4.683 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cccc(C)c1 ZINC000009858947 569571760 /nfs/dbraw/zinc/57/17/60/569571760.db2.gz HTEJIMOLWZMQEM-UHFFFAOYSA-N 0 0 433.529 4.508 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000009861986 569571965 /nfs/dbraw/zinc/57/19/65/569571965.db2.gz JXHRYHWWFNUIIJ-FTJBHMTQSA-N 0 0 442.563 4.549 50 0 IJAARN C[C@@H](Oc1ccccc1)C(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907569 569573162 /nfs/dbraw/zinc/57/31/62/569573162.db2.gz WACHDALWNLVHBW-OAHLLOKOSA-N 0 0 439.566 4.733 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000009937559 569573830 /nfs/dbraw/zinc/57/38/30/569573830.db2.gz UPMNZPRXKHNQRR-UHFFFAOYSA-N 0 0 440.952 4.931 50 0 IJAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc(SC)nn32)cc1 ZINC000009942210 569574017 /nfs/dbraw/zinc/57/40/17/569574017.db2.gz JBTSITVGCXAFIA-FQEVSTJZSA-N 0 0 435.553 4.553 50 0 IJAARN CCCC(=O)n1nc(NCc2ccc(OCC)cc2)nc1NCc1ccc(OCC)cc1 ZINC000009948625 569574145 /nfs/dbraw/zinc/57/41/45/569574145.db2.gz IVBHGIUMFGDBSU-UHFFFAOYSA-N 0 0 437.544 4.740 50 0 IJAARN O=C(CSc1ccc2ccccc2n1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000009952084 569574591 /nfs/dbraw/zinc/57/45/91/569574591.db2.gz UFKBADNZJBZVAV-UHFFFAOYSA-N 0 0 427.529 4.896 50 0 IJAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1 ZINC000009958651 569574932 /nfs/dbraw/zinc/57/49/32/569574932.db2.gz ANTRFRNIARCVLM-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN O=c1c2sccc2nc(SCc2ccncc2)n1-c1ccc(Br)cc1 ZINC000071327554 569575325 /nfs/dbraw/zinc/57/53/25/569575325.db2.gz NPSMAGFBMOUPJJ-UHFFFAOYSA-N 0 0 430.352 4.897 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000009969771 569576129 /nfs/dbraw/zinc/57/61/29/569576129.db2.gz QCSJCPNIKHLDTJ-UHFFFAOYSA-N 0 0 445.972 4.755 50 0 IJAARN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)Nc1ccc2c(c1)OCO2 ZINC000009970159 569576152 /nfs/dbraw/zinc/57/61/52/569576152.db2.gz LBIWUKVMZLNOAT-JOCHJYFZSA-N 0 0 432.501 4.624 50 0 IJAARN COc1cccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000009973241 569576360 /nfs/dbraw/zinc/57/63/60/569576360.db2.gz GEEXJWRUEZEXFK-MZNJEOGPSA-N 0 0 436.464 4.556 50 0 IJAARN COc1ccc(-c2nc(NCc3ccc(Cl)cc3)n(C(=O)COc3ccccc3)n2)cc1 ZINC000010076661 569577664 /nfs/dbraw/zinc/57/76/64/569577664.db2.gz BKIJECULORECGY-UHFFFAOYSA-N 0 0 448.910 4.938 50 0 IJAARN COc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1OC ZINC000010186527 569578381 /nfs/dbraw/zinc/57/83/81/569578381.db2.gz XFCFCEAYLPXYST-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F ZINC000010186564 569578459 /nfs/dbraw/zinc/57/84/59/569578459.db2.gz NWABHGREOVQNFQ-UHFFFAOYSA-N 0 0 437.858 4.748 50 0 IJAARN Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010187661 569578627 /nfs/dbraw/zinc/57/86/27/569578627.db2.gz NPBUWJAACHFSIX-UHFFFAOYSA-N 0 0 431.517 4.926 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188159 569578819 /nfs/dbraw/zinc/57/88/19/569578819.db2.gz JSFRUSIGSFDXFF-UHFFFAOYSA-N 0 0 425.822 4.629 50 0 IJAARN CC[C@@H](c1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1Cc1ccccc1)N(C)C ZINC000010213468 569579046 /nfs/dbraw/zinc/57/90/46/569579046.db2.gz BNJVFHBENSOQOF-FQEVSTJZSA-N 0 0 448.596 4.990 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 ZINC000010213126 569579048 /nfs/dbraw/zinc/57/90/48/569579048.db2.gz RCPXVMPYKPHXMU-SFHVURJKSA-N 0 0 425.535 4.770 50 0 IJAARN CCCc1ccc(-c2nc(NC(=O)CCc3c(C)nc(SC)[nH]c3=O)sc2C)cc1 ZINC000010214426 569579131 /nfs/dbraw/zinc/57/91/31/569579131.db2.gz KQWGKUKPDYLADV-UHFFFAOYSA-N 0 0 442.610 4.756 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(C)c(C)c3)=NN12 ZINC000010214623 569579165 /nfs/dbraw/zinc/57/91/65/569579165.db2.gz NSPKXGRKKPYFID-QFIPXVFZSA-N 0 0 449.551 4.804 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1 ZINC000010232782 569579360 /nfs/dbraw/zinc/57/93/60/569579360.db2.gz KSLXAYZWJDSUEJ-UHFFFAOYSA-N 0 0 429.498 4.570 50 0 IJAARN O=C(COc1ccccc1F)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000010233245 569579586 /nfs/dbraw/zinc/57/95/86/569579586.db2.gz KNVVFTYJBZJRFG-UHFFFAOYSA-N 0 0 447.418 4.592 50 0 IJAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 ZINC000010253643 569579947 /nfs/dbraw/zinc/57/99/47/569579947.db2.gz UECQEYHBSTVAKL-UHFFFAOYSA-N 0 0 430.576 4.850 50 0 IJAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)c1 ZINC000010275449 569580316 /nfs/dbraw/zinc/58/03/16/569580316.db2.gz WFFRUMJTFCQJOM-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)n1 ZINC000010323729 569580967 /nfs/dbraw/zinc/58/09/67/569580967.db2.gz OYKYTWCEAPYZCT-UHFFFAOYSA-N 0 0 440.550 4.518 50 0 IJAARN O=C(Nc1nc2c(s1)CCC2)c1cccnc1Oc1ccc(F)cc1Br ZINC000071800739 569581623 /nfs/dbraw/zinc/58/16/23/569581623.db2.gz ZMRUYCIVDRIPDU-UHFFFAOYSA-N 0 0 434.290 4.973 50 0 IJAARN COc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1Cl ZINC000010434982 569582144 /nfs/dbraw/zinc/58/21/44/569582144.db2.gz RYEUDCWCOZCSNM-OAHLLOKOSA-N 0 0 430.835 4.809 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)CC1=O ZINC000010462091 569582457 /nfs/dbraw/zinc/58/24/57/569582457.db2.gz QCAPGRCXKBTNQY-OAHLLOKOSA-N 0 0 448.350 4.833 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000010509472 569582661 /nfs/dbraw/zinc/58/26/61/569582661.db2.gz MEFCLGQCVOWTDQ-UHFFFAOYSA-N 0 0 434.496 4.523 50 0 IJAARN COc1cc(OC)c(NC(=O)c2nnn(-c3ccccc3C)c2-c2ccncc2)cc1Cl ZINC000077100788 569585457 /nfs/dbraw/zinc/58/54/57/569585457.db2.gz RLJDBJRJEHKPMO-UHFFFAOYSA-N 0 0 449.898 4.561 50 0 IJAARN C[C@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000209590358 569587013 /nfs/dbraw/zinc/58/70/13/569587013.db2.gz SFKYGYRKFMUHAD-YEHREXKJSA-N 0 0 432.516 4.688 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(C3(C(=O)NC[C@H]4CCCO4)CCCCC3)cc2)s1 ZINC000033277446 569587400 /nfs/dbraw/zinc/58/74/00/569587400.db2.gz BSZBCNFQAWEWEQ-HXUWFJFHSA-N 0 0 426.582 4.806 50 0 IJAARN O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2)o1 ZINC000033343168 569587516 /nfs/dbraw/zinc/58/75/16/569587516.db2.gz YQICUTOGKQCTNP-QJOMJCCJSA-N 0 0 429.545 4.735 50 0 IJAARN Cc1c(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Br)cc32)cnn1C ZINC000000648600 193871063 /nfs/dbraw/zinc/87/10/63/193871063.db2.gz VTQQTXFUFIHJAN-UHFFFAOYSA-N 0 0 449.352 4.945 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C2CCCCC2)cc1 ZINC000000658209 193875653 /nfs/dbraw/zinc/87/56/53/193875653.db2.gz NJSQFVMMWLKJSO-UHFFFAOYSA-N 0 0 434.989 4.919 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)NCc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000662795 193876766 /nfs/dbraw/zinc/87/67/66/193876766.db2.gz FBHMODIZOQRMLW-UHFFFAOYSA-N 0 0 441.358 4.711 50 0 IJAARN CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000009847921 193905962 /nfs/dbraw/zinc/90/59/62/193905962.db2.gz BNQROCREBJJTIO-UHFFFAOYSA-N 0 0 444.000 4.783 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)c(F)c1 ZINC000019791313 193920246 /nfs/dbraw/zinc/92/02/46/193920246.db2.gz FYNZHURIZCJREJ-QHCPKHFHSA-N 0 0 434.540 4.975 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)n1 ZINC000096224339 193937234 /nfs/dbraw/zinc/93/72/34/193937234.db2.gz XHTBASUDJSKUCR-MRXNPFEDSA-N 0 0 431.945 4.516 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)[C@H]3CCC[C@@H](OC)C3)ccc21 ZINC000096276930 193952801 /nfs/dbraw/zinc/95/28/01/193952801.db2.gz NKTQXDNZPRTXEV-SIKLNZKXSA-N 0 0 433.552 4.735 50 0 IJAARN Cc1nn2c(nc(C)cc2N2CCN(C/C=C\c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000096803803 132225735 /nfs/dbraw/zinc/22/57/35/132225735.db2.gz OCUFNPCUIZCQRI-TWGQIWQCSA-N 0 0 441.554 4.988 50 0 IJAARN Cc1nn(C[C@@H](O)CN2c3ccccc3Sc3ccccc32)c(C)c1Br ZINC000000706993 132229450 /nfs/dbraw/zinc/22/94/50/132229450.db2.gz GPGOSCYGHUNOLB-HNNXBMFYSA-N 0 0 430.371 4.926 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccc(F)c1 ZINC000000812010 132231008 /nfs/dbraw/zinc/23/10/08/132231008.db2.gz BSGABLXOJRPPRU-UHFFFAOYSA-N 0 0 443.931 4.755 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000009469274 132232174 /nfs/dbraw/zinc/23/21/74/132232174.db2.gz ICKXOSRBTOITCH-UHFFFAOYSA-N 0 0 446.547 4.635 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000001206716 132239619 /nfs/dbraw/zinc/23/96/19/132239619.db2.gz WVYOPITZNFHVDY-PMAPCBKXSA-N 0 0 439.515 4.650 50 0 IJAARN CCOc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000001217085 132240128 /nfs/dbraw/zinc/24/01/28/132240128.db2.gz LRIADFAHJSIJAO-AREMUKBSSA-N 0 0 433.504 4.790 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/nfs/dbraw/zinc/26/30/46/132263046.db2.gz FDNGVMSWAFWGQF-UHFFFAOYSA-N 0 0 439.610 4.871 50 0 IJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003332502 132264138 /nfs/dbraw/zinc/26/41/38/132264138.db2.gz YGCIVPQIGJJFNI-UHFFFAOYSA-N 0 0 425.488 4.730 50 0 aggregator IJAARN O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 ZINC000003638670 132266770 /nfs/dbraw/zinc/26/67/70/132266770.db2.gz JECDDZJINXZMAT-UHFFFAOYSA-N 0 0 428.966 4.970 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc12 ZINC000003649785 132267099 /nfs/dbraw/zinc/26/70/99/132267099.db2.gz AWUMRZHBSTZHAK-UHFFFAOYSA-N 0 0 429.442 4.580 50 0 IJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCN(c2cc(C)ccc2C)CC1 ZINC000008599785 132285882 /nfs/dbraw/zinc/28/58/82/132285882.db2.gz OYRGJUPILPGJQJ-UHFFFAOYSA-N 0 0 425.916 4.725 50 0 IJAARN Cc1nc(-c2ccc(C)c(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)c2)no1 ZINC000008600698 132286302 /nfs/dbraw/zinc/28/63/02/132286302.db2.gz WJEGFGHVSCHBAM-UHFFFAOYSA-N 0 0 445.445 4.726 50 0 IJAARN Clc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)c1 ZINC000008604893 132287100 /nfs/dbraw/zinc/28/71/00/132287100.db2.gz SFHGCWCLVLRKHD-UHFFFAOYSA-N 0 0 440.938 4.925 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(N5CCOCC5)cc4)cc3)o2)cc1 ZINC000008707570 132291141 /nfs/dbraw/zinc/29/11/41/132291141.db2.gz DSNVFZPPUUYZIU-UHFFFAOYSA-N 0 0 440.503 4.801 50 0 IJAARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000008904407 132297397 /nfs/dbraw/zinc/29/73/97/132297397.db2.gz GUBSTKSWTNVWHD-UHFFFAOYSA-N 0 0 425.916 4.643 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008933586 132298181 /nfs/dbraw/zinc/29/81/81/132298181.db2.gz HZSWCJRYVJGKLE-UHFFFAOYSA-N 0 0 445.954 4.587 50 0 IJAARN Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000009190021 132307889 /nfs/dbraw/zinc/30/78/89/132307889.db2.gz LCTYRJPKCCEEEG-IBGZPJMESA-N 0 0 432.955 4.678 50 0 IJAARN Cc1ccccc1NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000009405831 132315029 /nfs/dbraw/zinc/31/50/29/132315029.db2.gz ZVVKHMDWGBJNFF-MRXNPFEDSA-N 0 0 427.932 4.706 50 0 IJAARN Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)N3CCN(c4ccccn4)CC3)c2c1 ZINC000009531274 132321065 /nfs/dbraw/zinc/32/10/65/132321065.db2.gz FAORJRDAMZGNSC-UHFFFAOYSA-N 0 0 430.577 4.881 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000009540516 132321116 /nfs/dbraw/zinc/32/11/16/132321116.db2.gz URCQPNPFTHTAPU-UHFFFAOYSA-N 0 0 436.939 4.890 50 0 IJAARN CCn1c2cc(NC(=O)Nc3cccc(C(C)=O)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000009686044 132325837 /nfs/dbraw/zinc/32/58/37/132325837.db2.gz UEGLJNVIGOOKMS-UHFFFAOYSA-N 0 0 449.555 4.680 50 0 IJAARN Cc1ccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000009693852 132326393 /nfs/dbraw/zinc/32/63/93/132326393.db2.gz DHWZYIGEPLNTTI-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN CCOc1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708851 132326832 /nfs/dbraw/zinc/32/68/32/132326832.db2.gz TZNJOSRPYWGLRV-UHFFFAOYSA-N 0 0 434.544 4.718 50 0 IJAARN Cc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708866 132326835 /nfs/dbraw/zinc/32/68/35/132326835.db2.gz CGQXQXFOYWSJTL-UHFFFAOYSA-N 0 0 431.327 4.811 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009949358 132332516 /nfs/dbraw/zinc/33/25/16/132332516.db2.gz RNYGUHSEEACWHZ-RUZDIDTESA-N 0 0 440.543 4.625 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)N1CCCc2ccccc21 ZINC000009962477 132332811 /nfs/dbraw/zinc/33/28/11/132332811.db2.gz BCCQALDBLCUJTA-UHFFFAOYSA-N 0 0 433.891 4.707 50 0 IJAARN C[C@H]1CCc2ccccc2N1C(=O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000010058903 132334471 /nfs/dbraw/zinc/33/44/71/132334471.db2.gz NYGDIOQDRKQBHF-IBGZPJMESA-N 0 0 439.987 4.527 50 0 IJAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000010262761 132335322 /nfs/dbraw/zinc/33/53/22/132335322.db2.gz DTDXZBSWDFSROQ-FQEVSTJZSA-N 0 0 446.576 4.599 50 0 IJAARN Cc1nc(N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)nc2cc3c(cc12)CCC3 ZINC000011789063 132339852 /nfs/dbraw/zinc/33/98/52/132339852.db2.gz UYFNDMKAAOVNRF-GOSISDBHSA-N 0 0 428.580 4.563 50 0 IJAARN C[C@@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)N1CCCc2ccccc21 ZINC000013003835 132341785 /nfs/dbraw/zinc/34/17/85/132341785.db2.gz IOFGOKGLRLPNLM-LSDHHAIUSA-N 0 0 427.501 4.809 50 0 IJAARN CC(C)[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000013129355 132345518 /nfs/dbraw/zinc/34/55/18/132345518.db2.gz XWFVDVBHKVYYJM-LJQANCHMSA-N 0 0 425.882 4.842 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2Cc2ccco2)c1 ZINC000013148234 132345956 /nfs/dbraw/zinc/34/59/56/132345956.db2.gz AYDFSIRHJVXJNA-UHFFFAOYSA-N 0 0 444.560 4.966 50 0 IJAARN O=C(c1cccnc1-c1nc2ccccc2s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013593083 132351457 /nfs/dbraw/zinc/35/14/57/132351457.db2.gz NWTRGGZZGJUOQR-UHFFFAOYSA-N 0 0 434.952 4.974 50 0 IJAARN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000013957464 132355700 /nfs/dbraw/zinc/35/57/00/132355700.db2.gz HCFWDYZPAAPLPJ-VAWYXSNFSA-N 0 0 435.911 4.547 50 0 IJAARN Brc1cncc(-c2nn3c(COc4cccc5ccccc54)nnc3s2)c1 ZINC000012408943 518230997 /nfs/dbraw/zinc/23/09/97/518230997.db2.gz IIDJLSGWODCWHQ-UHFFFAOYSA-N 0 0 438.310 4.743 50 0 IJAARN CC(=O)c1cc2c(cc1NC(=O)C(=O)c1c3ccccc3n(C)c1-c1ccccc1)OCO2 ZINC000012364690 518293459 /nfs/dbraw/zinc/29/34/59/518293459.db2.gz NQMUELPIPFTPSG-UHFFFAOYSA-N 0 0 440.455 4.598 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H](C)Oc2ccccc2)C3)s1 ZINC000012331671 518294473 /nfs/dbraw/zinc/29/44/73/518294473.db2.gz UVYSOSMGJVOICF-BEFAXECRSA-N 0 0 439.508 4.644 50 0 IJAARN CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)s1 ZINC000030181300 518311296 /nfs/dbraw/zinc/31/12/96/518311296.db2.gz FKUDBPKZGCGOGW-UHFFFAOYSA-N 0 0 428.554 4.776 50 0 IJAARN CC(=O)c1sc(NC(=O)COc2cccc(Br)c2)nc1-c1ccccc1 ZINC000013113509 518498301 /nfs/dbraw/zinc/49/83/01/518498301.db2.gz VUNIGGZODZJLIZ-UHFFFAOYSA-N 0 0 431.311 4.793 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NC4CCCCCC4)[nH]c(=O)c23)C1 ZINC000021882592 518944538 /nfs/dbraw/zinc/94/45/38/518944538.db2.gz BPQHLOYGRDAAQD-OAHLLOKOSA-N 0 0 429.630 4.907 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012917975 519482325 /nfs/dbraw/zinc/48/23/25/519482325.db2.gz PKCGIMVSHAUXJU-HXUWFJFHSA-N 0 0 425.460 4.991 50 0 IJAARN CC(C)N(C(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(C)C ZINC000012555345 519575532 /nfs/dbraw/zinc/57/55/32/519575532.db2.gz GMKVBZJBXAMDCZ-INIZCTEOSA-N 0 0 436.025 4.647 50 0 IJAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCc2cccnc2)cc1 ZINC000034675985 519576247 /nfs/dbraw/zinc/57/62/47/519576247.db2.gz ZFMBWKNAGPZAFI-UHFFFAOYSA-N 0 0 433.527 4.659 50 0 IJAARN CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000035724172 519602750 /nfs/dbraw/zinc/60/27/50/519602750.db2.gz AUPKXVLVFQAVBA-GOSISDBHSA-N 0 0 442.972 4.571 50 0 IJAARN CC(=O)N1N=C(c2cccc(I)c2)O[C@H]1c1cccc2ccccc21 ZINC000020946079 519638624 /nfs/dbraw/zinc/63/86/24/519638624.db2.gz 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CC(C)Oc1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCCCNC2=O)cc1 ZINC000014991600 519779023 /nfs/dbraw/zinc/77/90/23/519779023.db2.gz IBGNAEZHHYZRPT-UXZSZYKQSA-N 0 0 440.971 4.838 50 0 IJAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000021784751 519781654 /nfs/dbraw/zinc/78/16/54/519781654.db2.gz CPBSOGQGZDTKPA-SFHVURJKSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022766849 519836851 /nfs/dbraw/zinc/83/68/51/519836851.db2.gz QDDCVITYTXBQJG-XMMPIXPASA-N 0 0 447.604 4.726 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000012766971 519841201 /nfs/dbraw/zinc/84/12/01/519841201.db2.gz CLZZMQQYCUULBV-UHFFFAOYSA-N 0 0 434.627 4.961 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000012535447 519877404 /nfs/dbraw/zinc/87/74/04/519877404.db2.gz ATEVBSFHDWFFRK-AWEZNQCLSA-N 0 0 439.899 4.897 50 0 IJAARN CCCNC(=O)N(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000035980879 519883454 /nfs/dbraw/zinc/88/34/54/519883454.db2.gz JRZRWJLLKLRDMG-UHFFFAOYSA-N 0 0 436.556 4.756 50 0 IJAARN CCNC(=O)c1ccc(CSc2nc(N(C)C3CCCCC3)cc(C(F)(F)F)n2)o1 ZINC000036038824 519891609 /nfs/dbraw/zinc/89/16/09/519891609.db2.gz PXUOHNNRAFGOJW-UHFFFAOYSA-N 0 0 442.507 4.899 50 0 IJAARN CCCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000016060827 519894174 /nfs/dbraw/zinc/89/41/74/519894174.db2.gz WKRWBEYARNSMSP-LBPRGKRZSA-N 0 0 436.364 4.699 50 0 IJAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccco1 ZINC000012322481 519914316 /nfs/dbraw/zinc/91/43/16/519914316.db2.gz CZUNIOLRXCTOJC-UHFFFAOYSA-N 0 0 444.553 4.716 50 0 IJAARN CCN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)c1ccccc1C ZINC000012194912 519921623 /nfs/dbraw/zinc/92/16/23/519921623.db2.gz DPBQVFSZTMFJAY-UHFFFAOYSA-N 0 0 430.961 4.501 50 0 IJAARN CC(C)n1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCCO3)cn1 ZINC000012387006 519981899 /nfs/dbraw/zinc/98/18/99/519981899.db2.gz ZSLGAJXANWPEEP-SANMLTNESA-N 0 0 428.536 4.864 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2 ZINC000016751559 520242627 /nfs/dbraw/zinc/24/26/27/520242627.db2.gz SZOLOSVHOLADIL-UHFFFAOYSA-N 0 0 430.397 4.574 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398177 520361263 /nfs/dbraw/zinc/36/12/63/520361263.db2.gz BCHQIRLRMNVCEG-QHCPKHFHSA-N 0 0 444.579 4.774 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 ZINC000016613735 520480753 /nfs/dbraw/zinc/48/07/53/520480753.db2.gz DSVVZGZDIOIUMS-OAQYLSRUSA-N 0 0 435.549 4.626 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000000754441 520491649 /nfs/dbraw/zinc/49/16/49/520491649.db2.gz MNQJPTIIVOHXOE-MRXNPFEDSA-N 0 0 428.794 4.810 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC000012771821 520560047 /nfs/dbraw/zinc/56/00/47/520560047.db2.gz WLLCULFKYQBCSM-UHFFFAOYSA-N 0 0 443.551 4.553 50 0 IJAARN CCOc1c(Br)cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000015651156 520591240 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CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000012800127 520796355 /nfs/dbraw/zinc/79/63/55/520796355.db2.gz DHLMGXOUUZKWSQ-UHFFFAOYSA-N 0 0 429.369 4.893 50 0 IJAARN CCOc1cc2c(cc1NC(=O)c1cc(C)nc3c1cnn3Cc1cccs1)O[C@H](C)C2 ZINC000012863732 520796490 /nfs/dbraw/zinc/79/64/90/520796490.db2.gz MTLXJHVRULMVBL-OAHLLOKOSA-N 0 0 448.548 4.824 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000021044122 520798056 /nfs/dbraw/zinc/79/80/56/520798056.db2.gz VEEXQTDRHQPKMR-OAQYLSRUSA-N 0 0 440.540 4.795 50 0 IJAARN CCCCOc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1Br ZINC000012137602 520868054 /nfs/dbraw/zinc/86/80/54/520868054.db2.gz JQUJSSBWGNOXNF-UHFFFAOYSA-N 0 0 427.408 4.907 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3F)N2C1=O ZINC000021936173 520894393 /nfs/dbraw/zinc/89/43/93/520894393.db2.gz OLGBDXNXSOGKNQ-OALUTQOASA-N 0 0 438.528 4.735 50 0 IJAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000035888303 520945635 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0 IJAARN CCOc1ccc(NC(=O)[C@H](CC)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 ZINC000021783488 521109816 /nfs/dbraw/zinc/10/98/16/521109816.db2.gz FMWVNZCRMVYQON-QHCPKHFHSA-N 0 0 431.536 4.778 50 0 IJAARN CCOc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1 ZINC000021881933 521138075 /nfs/dbraw/zinc/13/80/75/521138075.db2.gz TXFJLWUXGLEBIR-UHFFFAOYSA-N 0 0 425.554 4.798 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1C ZINC000035684000 521166260 /nfs/dbraw/zinc/16/62/60/521166260.db2.gz XNVRTYLHENLZDL-DEOSSOPVSA-N 0 0 447.560 4.884 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)CCc2ccc3nc(NC(C)=O)sc3c2)c1 ZINC000032959363 521166615 /nfs/dbraw/zinc/16/66/15/521166615.db2.gz BPWZONZHBMZISO-UHFFFAOYSA-N 0 0 427.526 4.623 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCCC2=CCCCC2)s1 ZINC000033306488 521193498 /nfs/dbraw/zinc/19/34/98/521193498.db2.gz FHGWYJOYQOTULG-PKNBQFBNSA-N 0 0 449.598 4.732 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1 ZINC000033297854 521195002 /nfs/dbraw/zinc/19/50/02/521195002.db2.gz BVHDHLNXEQMFQY-WDZFZDKYSA-N 0 0 447.463 4.581 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)c1 ZINC000035527728 521219544 /nfs/dbraw/zinc/21/95/44/521219544.db2.gz UUPJFGJXHABCRL-QGZVFWFLSA-N 0 0 438.915 4.758 50 0 IJAARN CCOc1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C(C)C)cc1OCC ZINC000022424240 521230364 /nfs/dbraw/zinc/23/03/64/521230364.db2.gz OFFHFHMENUWILZ-MBSDFSHPSA-N 0 0 428.504 4.562 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(OC)cc3)sc2c1 ZINC000033271690 521296061 /nfs/dbraw/zinc/29/60/61/521296061.db2.gz YLOSPSOAUAHVSF-QGZVFWFLSA-N 0 0 434.521 4.672 50 0 IJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000012742344 521323122 /nfs/dbraw/zinc/32/31/22/521323122.db2.gz NIRBZZHAMRSSCN-UHFFFAOYSA-N 0 0 438.528 4.660 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC(C)C)C(=O)c2ccccc2Cl)c1C ZINC000036003523 521363692 /nfs/dbraw/zinc/36/36/92/521363692.db2.gz JOLYFOBGDGFWFS-MRXNPFEDSA-N 0 0 432.948 4.831 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C ZINC000014792970 521379962 /nfs/dbraw/zinc/37/99/62/521379962.db2.gz YBXYNFFVXWTEKZ-INIZCTEOSA-N 0 0 433.508 4.552 50 0 IJAARN CCCc1cc(Sc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)n2ncnc2n1 ZINC000033275979 521385288 /nfs/dbraw/zinc/38/52/88/521385288.db2.gz SVESXRYIQTWSMT-UHFFFAOYSA-N 0 0 434.525 4.881 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CCC(C)C)C(=O)c2ccc(F)cc2)c(C)n1C ZINC000036006604 521388585 /nfs/dbraw/zinc/38/85/85/521388585.db2.gz GRZPRMZXSJGKKG-SFHVURJKSA-N 0 0 444.547 4.717 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OC)cc4)sc3C2)cc1 ZINC000035480496 521408853 /nfs/dbraw/zinc/40/88/53/521408853.db2.gz SLGGBAWDCHFKQD-UHFFFAOYSA-N 0 0 428.579 4.518 50 0 IJAARN CCCCn1nnc(N(C(=O)c2ccc(C)cc2Cl)C(=O)c2ccc(C)cc2Cl)n1 ZINC000020595013 521412430 /nfs/dbraw/zinc/41/24/30/521412430.db2.gz DPJCARZUNARXSR-UHFFFAOYSA-N 0 0 446.338 4.884 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c(C)o1 ZINC000012414679 521441585 /nfs/dbraw/zinc/44/15/85/521441585.db2.gz SVBXMRIWYAVSHQ-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3)C2=O)cc1 ZINC000012311964 521485262 /nfs/dbraw/zinc/48/52/62/521485262.db2.gz NHTVJLDJENBZRL-KQWNVCNZSA-N 0 0 426.472 4.812 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 ZINC000020515238 521500680 /nfs/dbraw/zinc/50/06/80/521500680.db2.gz MNBJCRNYWOIPBY-LJAQVGFWSA-N 0 0 431.941 4.711 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035446684 521505229 /nfs/dbraw/zinc/50/52/29/521505229.db2.gz NBTJVHWNVZAXIF-UHFFFAOYSA-N 0 0 430.508 4.603 50 0 biogenic IJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(OC)cc1)n2Cc1ccccn1 ZINC000023458217 521533669 /nfs/dbraw/zinc/53/36/69/521533669.db2.gz OVHPJOLUJLBXGV-UHFFFAOYSA-N 0 0 433.533 4.957 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)(C)C)CC2)n1)CCCCC3 ZINC000035892536 521544137 /nfs/dbraw/zinc/54/41/37/521544137.db2.gz AQKWVSWOYKHZDB-UHFFFAOYSA-N 0 0 428.646 4.998 50 0 IJAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1CC ZINC000012618038 521544528 /nfs/dbraw/zinc/54/45/28/521544528.db2.gz NRQWZKKXTAPKPZ-UHFFFAOYSA-N 0 0 434.580 4.992 50 0 IJAARN CCCc1noc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC000012810315 521577566 /nfs/dbraw/zinc/57/75/66/521577566.db2.gz QKTVGNSLBVCIFM-UHFFFAOYSA-N 0 0 446.429 4.865 50 0 IJAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021523638 521590658 /nfs/dbraw/zinc/59/06/58/521590658.db2.gz AHPHCCPHKBLVRP-HXUWFJFHSA-N 0 0 436.562 4.964 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1cccc(C)c1 ZINC000012391511 521621026 /nfs/dbraw/zinc/62/10/26/521621026.db2.gz SFJPWUDVGGUJDO-UHFFFAOYSA-N 0 0 440.565 4.917 50 0 IJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)C(C)(C)C)c2)C(C(=O)OCC(C)C)=C1C ZINC000035710888 521701148 /nfs/dbraw/zinc/70/11/48/521701148.db2.gz SBIOWEBQQBVQMR-HXUWFJFHSA-N 0 0 429.561 4.621 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035537671 521971528 /nfs/dbraw/zinc/97/15/28/521971528.db2.gz JKFBUADCDLLIHH-YWZLYKJASA-N 0 0 439.512 4.588 50 0 IJAARN COc1cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000034846192 521982637 /nfs/dbraw/zinc/98/26/37/521982637.db2.gz NFHBXSDMIQCINC-OHYQPGSNSA-N 0 0 443.805 4.657 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C(=O)N(C)C)c3ccccc3)nc(=O)c12 ZINC000012739815 522032405 /nfs/dbraw/zinc/03/24/05/522032405.db2.gz VDZFONMQURCKFI-FZKQIMNGSA-N 0 0 429.611 4.803 50 0 IJAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)Nc2ccccc2)n1 ZINC000036003082 522055995 /nfs/dbraw/zinc/05/59/95/522055995.db2.gz RMPQMCZGEHHDSL-KRWDZBQOSA-N 0 0 429.528 4.563 50 0 IJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Cc1ccccc1 ZINC000035765117 522066176 /nfs/dbraw/zinc/06/61/76/522066176.db2.gz OVSQWASAOPHWHF-JOCHJYFZSA-N 0 0 432.564 4.721 50 0 IJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Cc1cccs1 ZINC000035765126 522066580 /nfs/dbraw/zinc/06/65/80/522066580.db2.gz GGVMVQISZNDLCN-HXUWFJFHSA-N 0 0 438.593 4.782 50 0 IJAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccc(Cl)c2Cl)cc1 ZINC000020744728 522104737 /nfs/dbraw/zinc/10/47/37/522104737.db2.gz QPMQTWJIWDMWSN-LJQANCHMSA-N 0 0 445.306 4.683 50 0 IJAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020725276 522105266 /nfs/dbraw/zinc/10/52/66/522105266.db2.gz RZBKBSICIUFYDD-IBGZPJMESA-N 0 0 445.306 4.683 50 0 IJAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)c(C)s2)no1 ZINC000035539331 522143204 /nfs/dbraw/zinc/14/32/04/522143204.db2.gz GXXLFIANPSUWBT-UHFFFAOYSA-N 0 0 434.587 4.624 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000035945224 522222314 /nfs/dbraw/zinc/22/23/14/522222314.db2.gz YNUZIXLCNNKJMG-UHFFFAOYSA-N 0 0 437.565 4.988 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)C3CCCCC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035242144 522239835 /nfs/dbraw/zinc/23/98/35/522239835.db2.gz XBWZIOUVCCHNNX-UHFFFAOYSA-N 0 0 441.019 4.821 50 0 IJAARN COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880670 522266280 /nfs/dbraw/zinc/26/62/80/522266280.db2.gz RCNHRTGEENXJSF-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl ZINC000020725351 522276845 /nfs/dbraw/zinc/27/68/45/522276845.db2.gz FGGVUWBVDCCVCH-IBGZPJMESA-N 0 0 445.306 4.683 50 0 IJAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 ZINC000024401288 522287727 /nfs/dbraw/zinc/28/77/27/522287727.db2.gz WROPVCCURZRLIP-UHFFFAOYSA-N 0 0 444.940 4.612 50 0 IJAARN COC(=O)c1sccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000012869351 522444672 /nfs/dbraw/zinc/44/46/72/522444672.db2.gz GWMWEHOYTVWWEP-UHFFFAOYSA-N 0 0 437.340 4.602 50 0 IJAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4cccc(C)c4)CC2)n1)CCCC3 ZINC000035867186 522540292 /nfs/dbraw/zinc/54/02/92/522540292.db2.gz PMJWFJIXUBVJOW-UHFFFAOYSA-N 0 0 435.597 4.795 50 0 IJAARN CCc1nccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012433288 522582220 /nfs/dbraw/zinc/58/22/20/522582220.db2.gz KRZNFDCOLWYTAJ-OAQYLSRUSA-N 0 0 431.536 4.749 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CN(C(=O)COC)C1CC1 ZINC000035972454 522636489 /nfs/dbraw/zinc/63/64/89/522636489.db2.gz QROFFPMFZHWMKE-UHFFFAOYSA-N 0 0 437.515 4.812 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@H]1CCCO1)C(C)=O ZINC000035975863 522643230 /nfs/dbraw/zinc/64/32/30/522643230.db2.gz VSTQEWBHNPBLSD-HXUWFJFHSA-N 0 0 437.515 4.894 50 0 IJAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000035980365 522733714 /nfs/dbraw/zinc/73/37/14/522733714.db2.gz MAYFAXWIQNBHDC-UHFFFAOYSA-N 0 0 425.916 4.670 50 0 IJAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000035977304 522734535 /nfs/dbraw/zinc/73/45/35/522734535.db2.gz YPYDMFYISLUSJJ-UHFFFAOYSA-N 0 0 425.504 4.650 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1Cl ZINC000020578904 522811567 /nfs/dbraw/zinc/81/15/67/522811567.db2.gz RJTZIUDYQUFRDV-UHFFFAOYSA-N 0 0 436.899 4.960 50 0 IJAARN COc1cc(SC)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012541960 522896866 /nfs/dbraw/zinc/89/68/66/522896866.db2.gz LZNLQACAQICSAE-UHFFFAOYSA-N 0 0 448.610 4.543 50 0 IJAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)ccc1OCc1ccccc1 ZINC000035142917 522959562 /nfs/dbraw/zinc/95/95/62/522959562.db2.gz HPVAHEDLHFWGOL-OAQYLSRUSA-N 0 0 441.483 4.606 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000020898889 522967047 /nfs/dbraw/zinc/96/70/47/522967047.db2.gz HZAMNAOAEJZGGN-HXUWFJFHSA-N 0 0 429.929 4.734 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000020898885 522968134 /nfs/dbraw/zinc/96/81/34/522968134.db2.gz WQMMJTPPTOZHPM-HXUWFJFHSA-N 0 0 429.929 4.734 50 0 IJAARN CC[C@H]1CCCCN1C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012620061 523005696 /nfs/dbraw/zinc/00/56/96/523005696.db2.gz ZNICWSZVUHGYDM-KRWDZBQOSA-N 0 0 435.446 4.792 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000015854688 523071849 /nfs/dbraw/zinc/07/18/49/523071849.db2.gz QQJDSHYIAIRBCA-UHFFFAOYSA-N 0 0 425.488 4.761 50 0 IJAARN COc1ccc(-c2c(C)c3ccc(OCC(=O)OC(C)(C)C)cc3oc2=O)cc1OC ZINC000011865097 523075878 /nfs/dbraw/zinc/07/58/78/523075878.db2.gz ROGYLPYTBMWKLG-UHFFFAOYSA-N 0 0 426.465 4.506 50 0 biogenic IJAARN COc1ccc(-c2c3c4c(sc3nc(C)c2C(=O)N2CCOCC2)C[C@H](C)CC4)cc1 ZINC000012772148 523082502 /nfs/dbraw/zinc/08/25/02/523082502.db2.gz YUBYPULTDXHVOU-OAHLLOKOSA-N 0 0 436.577 4.878 50 0 IJAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CN3CCCCC3)n2)cc1 ZINC000021659404 523084874 /nfs/dbraw/zinc/08/48/74/523084874.db2.gz DGAPRXWOIJIYAT-UHFFFAOYSA-N 0 0 436.943 4.897 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)nc3n2)cc1 ZINC000021727609 523104205 /nfs/dbraw/zinc/10/42/05/523104205.db2.gz RTOOTBJBMKYUBM-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000012790180 523113403 /nfs/dbraw/zinc/11/34/03/523113403.db2.gz FJBWPILCZYGCRT-MRXNPFEDSA-N 0 0 434.492 4.581 50 0 IJAARN CCn1c(C)c(C(=O)CN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)c(C)c1C(=O)OC ZINC000036018709 523123503 /nfs/dbraw/zinc/12/35/03/523123503.db2.gz PSNPNRCUKLMUCM-UHFFFAOYSA-N 0 0 432.948 4.688 50 0 IJAARN COc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)cc1OC ZINC000012140445 523136648 /nfs/dbraw/zinc/13/66/48/523136648.db2.gz TZEBVIFLMBHFMH-UHFFFAOYSA-N 0 0 449.454 4.910 50 0 IJAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C3CCCCC3)n2)cc1OC ZINC000012442230 523158867 /nfs/dbraw/zinc/15/88/67/523158867.db2.gz YBWHNNKZJSLAOY-UHFFFAOYSA-N 0 0 426.542 4.840 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)n[nH]2)cc1 ZINC000018250114 523175573 /nfs/dbraw/zinc/17/55/73/523175573.db2.gz FWJJELBNUFFQBM-UHFFFAOYSA-N 0 0 437.550 4.643 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1ccccc1C ZINC000017097280 523199513 /nfs/dbraw/zinc/19/95/13/523199513.db2.gz VNKMAIXZBHRTOH-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN COc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)cc1 ZINC000016840048 523216133 /nfs/dbraw/zinc/21/61/33/523216133.db2.gz BPOQABHRDVQSIN-UHFFFAOYSA-N 0 0 440.503 4.800 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2cn(C)nc2C)cc1F ZINC000012442039 523243596 /nfs/dbraw/zinc/24/35/96/523243596.db2.gz ZVNHZZVJASZKIK-UHFFFAOYSA-N 0 0 433.531 4.669 50 0 IJAARN CN(Cc1cccc(Cl)c1)C(=O)COC(=O)C1(Cc2nc3ccccc3[nH]2)CCCC1 ZINC000012520072 523299054 /nfs/dbraw/zinc/29/90/54/523299054.db2.gz YAFUEKFPQXHGEO-UHFFFAOYSA-N 0 0 439.943 4.521 50 0 IJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4C)c3n2)cn1 ZINC000020605591 523300210 /nfs/dbraw/zinc/30/02/10/523300210.db2.gz FQLQPPYTYAUOTI-UHFFFAOYSA-N 0 0 445.470 4.962 50 0 IJAARN COc1ccc(-n2c(CNC(=O)[C@H](c3ccccc3)C3CCCC3)nnc2SC)cc1 ZINC000012248038 523317553 /nfs/dbraw/zinc/31/75/53/523317553.db2.gz SPPCJRYOCMEULO-JOCHJYFZSA-N 0 0 436.581 4.588 50 0 IJAARN COCCCNC(=O)Nc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000034785549 523343171 /nfs/dbraw/zinc/34/31/71/523343171.db2.gz AVTAQLYFCFWFQO-UHFFFAOYSA-N 0 0 434.327 4.586 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccccc2C(F)(F)F)cc1 ZINC000020892533 523345251 /nfs/dbraw/zinc/34/52/51/523345251.db2.gz NTOBGXLRGNUEEZ-IBGZPJMESA-N 0 0 433.455 4.983 50 0 IJAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)N[C@H](C)c2cccc(OC)c2)cc1 ZINC000036616459 523346058 /nfs/dbraw/zinc/34/60/58/523346058.db2.gz BHNCJMRIBPNHTM-MRXNPFEDSA-N 0 0 430.508 4.546 50 0 IJAARN COc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000020610078 523349006 /nfs/dbraw/zinc/34/90/06/523349006.db2.gz SWESPCYVANEMKO-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012508229 523448063 /nfs/dbraw/zinc/44/80/63/523448063.db2.gz JNRNAHISCXWDRI-FQEVSTJZSA-N 0 0 426.563 4.699 50 0 IJAARN CCn1cc([C@@H](CC(=O)NCc2ccccn2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872327 523462567 /nfs/dbraw/zinc/46/25/67/523462567.db2.gz LHMXKXWSNLEFEQ-DEOSSOPVSA-N 0 0 443.547 4.912 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000020922980 523494255 /nfs/dbraw/zinc/49/42/55/523494255.db2.gz WNXZKLKQGZZYBE-UHFFFAOYSA-N 0 0 428.330 4.532 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(OC)c(OC)c3)on2)Cc2ccco2)cc1 ZINC000036019126 523613911 /nfs/dbraw/zinc/61/39/11/523613911.db2.gz VZPBBNXGHNQUIC-UHFFFAOYSA-N 0 0 448.475 4.803 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N(C)Cc4ccco4)c3)C2)cc1 ZINC000033034767 523635719 /nfs/dbraw/zinc/63/57/19/523635719.db2.gz GPBPYNGIVWOUAO-JOCHJYFZSA-N 0 0 432.520 4.580 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1OC ZINC000012807425 523665948 /nfs/dbraw/zinc/66/59/48/523665948.db2.gz JKYDPBMNNCREIY-HSZRJFAPSA-N 0 0 439.533 4.570 50 0 IJAARN COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1Br ZINC000012621209 523700792 /nfs/dbraw/zinc/70/07/92/523700792.db2.gz NFVRURNJJBYJAK-UHFFFAOYSA-N 0 0 431.355 4.862 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(OC)c3)c2)cc1 ZINC000035927210 523757027 /nfs/dbraw/zinc/75/70/27/523757027.db2.gz KQCFXYRROFFSGQ-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)c(C)s3)ccc21 ZINC000012851441 523763188 /nfs/dbraw/zinc/76/31/88/523763188.db2.gz BNMMXLUXPHHTHT-UHFFFAOYSA-N 0 0 429.452 4.737 50 0 IJAARN COc1ccc(C(=O)Nc2nnc(SCc3cccc(OC(F)(F)F)c3)s2)cc1 ZINC000035924430 523764327 /nfs/dbraw/zinc/76/43/27/523764327.db2.gz FCROOTWKIQJNIE-UHFFFAOYSA-N 0 0 441.456 4.990 50 0 IJAARN COc1ccc(C(C)=O)c(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000023659296 523789978 /nfs/dbraw/zinc/78/99/78/523789978.db2.gz UEJHTSXCJUUFQF-UHFFFAOYSA-N 0 0 437.536 4.867 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2Cl)C12CCCCC2 ZINC000020729318 523809611 /nfs/dbraw/zinc/80/96/11/523809611.db2.gz CZWFOEZLABKIHU-QFIPXVFZSA-N 0 0 440.971 4.545 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C ZINC000020755968 523842142 /nfs/dbraw/zinc/84/21/42/523842142.db2.gz IMTNLKVDBDUDGG-UHFFFAOYSA-N 0 0 437.496 4.523 50 0 IJAARN CCc1cc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)on1 ZINC000021719367 523844188 /nfs/dbraw/zinc/84/41/88/523844188.db2.gz BKLZKDRQZYUYNR-HNNXBMFYSA-N 0 0 445.401 4.536 50 0 IJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000011866756 523845634 /nfs/dbraw/zinc/84/56/34/523845634.db2.gz FIOFKPHCNSFDDC-QHCPKHFHSA-N 0 0 437.492 4.520 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000020990536 523845988 /nfs/dbraw/zinc/84/59/88/523845988.db2.gz WQWJYRKCUSGRGZ-UHFFFAOYSA-N 0 0 432.929 4.712 50 0 IJAARN COCCNC(=O)c1cccc(CSc2nc(C(C)C)cc(N3CCCC[C@@H]3C)n2)c1 ZINC000036029275 523927000 /nfs/dbraw/zinc/92/70/00/523927000.db2.gz NOAZNALGFSTMHN-SFHVURJKSA-N 0 0 442.629 4.647 50 0 IJAARN COCCNC(=O)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1 ZINC000034713668 523929540 /nfs/dbraw/zinc/92/95/40/523929540.db2.gz YTXDPLNOZNIMCW-UHFFFAOYSA-N 0 0 436.455 4.784 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCC1 ZINC000035770287 523941726 /nfs/dbraw/zinc/94/17/26/523941726.db2.gz JDNIQRGBQBWXMI-INIZCTEOSA-N 0 0 449.544 4.529 50 0 IJAARN CC[C@H](C)N1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021868878 523947919 /nfs/dbraw/zinc/94/79/19/523947919.db2.gz SPRJAQGUDIPPBF-PPHZAIPVSA-N 0 0 446.595 4.812 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021811204 523963654 /nfs/dbraw/zinc/96/36/54/523963654.db2.gz BOCKYKUTXITFPY-ADLZZSLISA-N 0 0 433.552 4.911 50 0 IJAARN COc1ccc(CN(C(=O)Cc2csc(COc3ccc(F)cc3)n2)C2CC2)cc1 ZINC000022357808 523989340 /nfs/dbraw/zinc/98/93/40/523989340.db2.gz VWPFIYFYYBLIEO-UHFFFAOYSA-N 0 0 426.513 4.604 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000036007365 523997811 /nfs/dbraw/zinc/99/78/11/523997811.db2.gz BHKYXJZGXBVITE-PSOPSSQASA-N 0 0 445.283 4.834 50 0 IJAARN COc1ccc(CNC(=O)CSCc2ccc(-c3nc(-c4cccc(C)c4)no3)o2)cc1 ZINC000033262403 524053350 /nfs/dbraw/zinc/05/33/50/524053350.db2.gz OOFFFERBAHJBET-UHFFFAOYSA-N 0 0 449.532 4.863 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1OC ZINC000012520193 524066618 /nfs/dbraw/zinc/06/66/18/524066618.db2.gz OOTSIZVAIHAFIV-UHFFFAOYSA-N 0 0 433.533 4.574 50 0 IJAARN CCc1cccc(N2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021857524 524071455 /nfs/dbraw/zinc/07/14/55/524071455.db2.gz GBNSPZASJMQMFH-MHZLTWQESA-N 0 0 445.563 4.690 50 0 IJAARN CNC(=O)NC(=O)CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000012738392 524077286 /nfs/dbraw/zinc/07/72/86/524077286.db2.gz ZUHOTBGIXCAARG-UHFFFAOYSA-N 0 0 443.617 4.686 50 0 IJAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccccc4Cl)c3s2)C1 ZINC000035533407 524108911 /nfs/dbraw/zinc/10/89/11/524108911.db2.gz QAPWJTFSYJFNFW-LBPRGKRZSA-N 0 0 433.990 4.707 50 0 IJAARN Cc1cccc(-c2ncc(CN3CCC(O)(Cc4cc(-c5ccccc5)no4)CC3)cn2)c1 ZINC000012456168 524122761 /nfs/dbraw/zinc/12/27/61/524122761.db2.gz PZMARPGCQAWCPR-UHFFFAOYSA-N 0 0 440.547 4.677 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000012900420 524125941 /nfs/dbraw/zinc/12/59/41/524125941.db2.gz YXVSLWSFZCOBHO-AWEZNQCLSA-N 0 0 445.386 4.572 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)c1OCc1ccc(Cl)cc1 ZINC000021788370 524131376 /nfs/dbraw/zinc/13/13/76/524131376.db2.gz JOQYTIAYQGVUKY-FQEVSTJZSA-N 0 0 429.929 4.734 50 0 IJAARN Cc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C(C)C)cc4)C3)n2)c1 ZINC000021940142 524135976 /nfs/dbraw/zinc/13/59/76/524135976.db2.gz GNLOHXIGXVHQGZ-HXUWFJFHSA-N 0 0 425.554 4.737 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000015680095 524165750 /nfs/dbraw/zinc/16/57/50/524165750.db2.gz CXBTUGXOVOIBRW-CRAIPNDOSA-N 0 0 427.932 4.963 50 0 IJAARN Cc1cccc(C(=O)N2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012454544 524169346 /nfs/dbraw/zinc/16/93/46/524169346.db2.gz GMHCMFPXXIPADP-UHFFFAOYSA-N 0 0 432.486 4.963 50 0 IJAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCCCC3)CC2)c1 ZINC000035810792 524190896 /nfs/dbraw/zinc/19/08/96/524190896.db2.gz HDZFDNBSLNFSKN-UHFFFAOYSA-N 0 0 433.596 4.799 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)n[nH]1 ZINC000022357410 524191642 /nfs/dbraw/zinc/19/16/42/524191642.db2.gz ZVGXEOQOPSSKKJ-NWDGAFQWSA-N 0 0 434.924 4.631 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)Nc3cccc(F)c3)c2)c1 ZINC000033009664 524218468 /nfs/dbraw/zinc/21/84/68/524218468.db2.gz CBNYJQWSTICDEK-UHFFFAOYSA-N 0 0 448.498 4.867 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000035949382 524231174 /nfs/dbraw/zinc/23/11/74/524231174.db2.gz BSYLZAVMNGYKEI-DEOSSOPVSA-N 0 0 435.543 4.769 50 0 IJAARN COc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(C)o1 ZINC000012414776 524278906 /nfs/dbraw/zinc/27/89/06/524278906.db2.gz XMLVKCMIGYFJFB-UHFFFAOYSA-N 0 0 446.894 4.837 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012806877 524294105 /nfs/dbraw/zinc/29/41/05/524294105.db2.gz DURWVFHNKXECKT-QGZVFWFLSA-N 0 0 444.578 4.596 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c(C)c1 ZINC000035399295 524316681 /nfs/dbraw/zinc/31/66/81/524316681.db2.gz CBLNZVRDKANMJM-UHFFFAOYSA-N 0 0 439.556 4.647 50 0 biogenic IJAARN Cc1cc(C)c2[nH]c(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc(=O)c2c1 ZINC000021098813 524340969 /nfs/dbraw/zinc/34/09/69/524340969.db2.gz XZXLSAGDOBTVLS-UHFFFAOYSA-N 0 0 437.590 4.624 50 0 IJAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000020896671 524368944 /nfs/dbraw/zinc/36/89/44/524368944.db2.gz BEENECHUMUCXLV-UHFFFAOYSA-N 0 0 442.471 4.968 50 0 IJAARN COc1ccccc1CC(=O)NC[C@@H]1Cc2cc(C)cc(-c3cc(C(C)=O)ccc3F)c2O1 ZINC000012125522 524383907 /nfs/dbraw/zinc/38/39/07/524383907.db2.gz ACCYYLSIRZBTNI-NRFANRHFSA-N 0 0 447.506 4.675 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)OCc3csc(C)n3)[C@@H]2c2ccccc2)cc1 ZINC000013126242 524388148 /nfs/dbraw/zinc/38/81/48/524388148.db2.gz NOAYQMHMCKNOCT-GMAHTHKFSA-N 0 0 436.533 4.688 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021808233 524432925 /nfs/dbraw/zinc/43/29/25/524432925.db2.gz JKQIBGOWKFDCOP-RUZDIDTESA-N 0 0 435.593 4.875 50 0 IJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3c2C1 ZINC000015536292 524433271 /nfs/dbraw/zinc/43/32/71/524433271.db2.gz NEOZPMOTSQEXGL-HNNXBMFYSA-N 0 0 442.485 4.669 50 0 IJAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c3OC[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033315203 524434731 /nfs/dbraw/zinc/43/47/31/524434731.db2.gz XAGMHADHCYQXBP-SANMLTNESA-N 0 0 432.520 4.594 50 0 IJAARN C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)CC(C)(C)C)CC4)c32)C1 ZINC000035865251 524437793 /nfs/dbraw/zinc/43/77/93/524437793.db2.gz IIUKANCBLHNCMT-HNNXBMFYSA-N 0 0 426.630 4.778 50 0 IJAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2=O)cc1 ZINC000012853364 524446973 /nfs/dbraw/zinc/44/69/73/524446973.db2.gz KBLIOUBAEGHTIH-MRXNPFEDSA-N 0 0 443.528 4.964 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccc(OC)cc3)CC2=O)cc1 ZINC000016953549 524496994 /nfs/dbraw/zinc/49/69/94/524496994.db2.gz UWEOEIRDWKYLDL-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN Cc1cccc(N2CCN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]2C)c1 ZINC000012630667 524546181 /nfs/dbraw/zinc/54/61/81/524546181.db2.gz FANPYBKYEYLWDK-ATIYNZHBSA-N 0 0 441.575 4.594 50 0 IJAARN Cc1cccc(N2CCN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]2C)c1 ZINC000012630670 524546565 /nfs/dbraw/zinc/54/65/65/524546565.db2.gz FANPYBKYEYLWDK-BKMJKUGQSA-N 0 0 441.575 4.594 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2)c1C ZINC000033278884 524550568 /nfs/dbraw/zinc/55/05/68/524550568.db2.gz ULIFORHBLRXRMF-UHFFFAOYSA-N 0 0 438.531 4.983 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2)n1 ZINC000021523700 524574168 /nfs/dbraw/zinc/57/41/68/524574168.db2.gz HZGDJOGLMITQGU-JOCHJYFZSA-N 0 0 445.523 4.860 50 0 IJAARN COc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OC ZINC000021036951 524575488 /nfs/dbraw/zinc/57/54/88/524575488.db2.gz FMOCJGCIZNYJGA-NRFANRHFSA-N 0 0 430.464 4.665 50 0 IJAARN COc1ccccc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000021721339 524590007 /nfs/dbraw/zinc/59/00/07/524590007.db2.gz DQFQKXHALVDYIJ-UHFFFAOYSA-N 0 0 426.523 4.552 50 0 IJAARN Cc1cc(C)nc(SCC(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 ZINC000021369915 524600535 /nfs/dbraw/zinc/60/05/35/524600535.db2.gz AERQALSIBJNWPL-QFIPXVFZSA-N 0 0 440.496 4.676 50 0 IJAARN Cc1cccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)c1C ZINC000035399654 524607912 /nfs/dbraw/zinc/60/79/12/524607912.db2.gz WELBRYTXUUQABU-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN COc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1OC ZINC000021914975 524622112 /nfs/dbraw/zinc/62/21/12/524622112.db2.gz SVRCUNIUMVZLLH-UHFFFAOYSA-N 0 0 445.519 4.793 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)cc1Cl ZINC000035377631 524639771 /nfs/dbraw/zinc/63/97/71/524639771.db2.gz BITKZBKNSVYGCU-UHFFFAOYSA-N 0 0 440.858 4.666 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)CC(C)C)C(C)C)n2C(C)C)cc1 ZINC000036040405 524640359 /nfs/dbraw/zinc/64/03/59/524640359.db2.gz BVQLPSYDXMOUHK-UHFFFAOYSA-N 0 0 433.618 4.529 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000012592324 524652523 /nfs/dbraw/zinc/65/25/23/524652523.db2.gz PAMNDVOOJHDGHF-HOTGVXAUSA-N 0 0 442.610 4.908 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000024629804 524653024 /nfs/dbraw/zinc/65/30/24/524653024.db2.gz KACKBFWREOSZML-CQSZACIVSA-N 0 0 432.596 4.808 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(-c3noc(C4CCCCC4)n3)c2)cc1 ZINC000033013459 524694405 /nfs/dbraw/zinc/69/44/05/524694405.db2.gz BSCJLJZQMGDLGV-UHFFFAOYSA-N 0 0 443.525 4.602 50 0 IJAARN COc1ccccc1Oc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1 ZINC000012734436 524696416 /nfs/dbraw/zinc/69/64/16/524696416.db2.gz JEGOSJHJLCKRSB-VWLOTQADSA-N 0 0 432.520 4.810 50 0 IJAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1Cl ZINC000021881926 524715376 /nfs/dbraw/zinc/71/53/76/524715376.db2.gz OFIVTNXXSLBCAO-UHFFFAOYSA-N 0 0 431.945 4.815 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000021527795 524739086 /nfs/dbraw/zinc/73/90/86/524739086.db2.gz MDMHRHJADCROSE-QFIPXVFZSA-N 0 0 435.911 4.929 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000021527793 524739319 /nfs/dbraw/zinc/73/93/19/524739319.db2.gz MDMHRHJADCROSE-JOCHJYFZSA-N 0 0 435.911 4.929 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012748712 524757441 /nfs/dbraw/zinc/75/74/41/524757441.db2.gz RKOSRRUEFITAHA-UHFFFAOYSA-N 0 0 446.981 4.709 50 0 IJAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)c1C ZINC000033067702 524768712 /nfs/dbraw/zinc/76/87/12/524768712.db2.gz XVHAPDBTIYHRDM-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)c2cc(Cl)ccc2O1 ZINC000020489293 524801888 /nfs/dbraw/zinc/80/18/88/524801888.db2.gz UXYWMWCRIZHMHD-PDOICOKGSA-N 0 0 448.007 4.700 50 0 IJAARN COc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)C1 ZINC000012162572 524809858 /nfs/dbraw/zinc/80/98/58/524809858.db2.gz IXLLIMGRBARQMH-HYBUGGRVSA-N 0 0 444.579 4.835 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1 ZINC000024174463 524892780 /nfs/dbraw/zinc/89/27/80/524892780.db2.gz YLALWUWSUMEFBE-QFIPXVFZSA-N 0 0 449.576 4.925 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851302 524931846 /nfs/dbraw/zinc/93/18/46/524931846.db2.gz PVQPUUCJXGMZCA-VWLOTQADSA-N 0 0 448.592 4.788 50 0 IJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000012447780 524932785 /nfs/dbraw/zinc/93/27/85/524932785.db2.gz XXURWWKBTCERQH-QFIPXVFZSA-N 0 0 434.293 4.635 50 0 IJAARN C[C@H](NC(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1)c1ccccc1Cl ZINC000032945469 524978490 /nfs/dbraw/zinc/97/84/90/524978490.db2.gz YWFSSWKMZRUIDT-STQMWFEESA-N 0 0 435.908 4.972 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4noc(C5CCC5)n4)c3)CC2=O)cc1C ZINC000021883524 524985740 /nfs/dbraw/zinc/98/57/40/524985740.db2.gz IXJZTLOTUBFLDP-LJQANCHMSA-N 0 0 430.508 4.613 50 0 IJAARN C[C@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)c1ccc(F)cc1 ZINC000012799934 524995623 /nfs/dbraw/zinc/99/56/23/524995623.db2.gz FWJCJLCVVIUVBR-ZDUSSCGKSA-N 0 0 441.915 4.795 50 0 IJAARN Cc1cccc2sc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)nc21 ZINC000009664586 525001293 /nfs/dbraw/zinc/00/12/93/525001293.db2.gz IHCLMVWKJLLWIM-UHFFFAOYSA-N 0 0 426.501 4.615 50 0 IJAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)n2)C[C@H](C)O1 ZINC000012765131 525029292 /nfs/dbraw/zinc/02/92/92/525029292.db2.gz FVTIPPYZIDPFLZ-OKILXGFUSA-N 0 0 441.578 4.626 50 0 IJAARN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(Cl)c1 ZINC000012902931 525038776 /nfs/dbraw/zinc/03/87/76/525038776.db2.gz MHNSCQWQCIHMTD-UHFFFAOYSA-N 0 0 434.989 4.784 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1 ZINC000035887968 525048703 /nfs/dbraw/zinc/04/87/03/525048703.db2.gz XLOYILGQZMMSRU-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000012783432 525097910 /nfs/dbraw/zinc/09/79/10/525097910.db2.gz DSFSYEJKTCLDBZ-NRFANRHFSA-N 0 0 449.576 4.741 50 0 IJAARN C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012550159 525116775 /nfs/dbraw/zinc/11/67/75/525116775.db2.gz MSBJAOSOHVVEIV-CYBMUJFWSA-N 0 0 434.721 4.544 50 0 IJAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012815905 525126888 /nfs/dbraw/zinc/12/68/88/525126888.db2.gz MTKGYHOXHVFWKG-KRWDZBQOSA-N 0 0 432.480 4.584 50 0 IJAARN Cc1cc(NC(=O)CCc2ccccc2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442361 525130607 /nfs/dbraw/zinc/13/06/07/525130607.db2.gz BJDICHBQYOQJSH-UHFFFAOYSA-N 0 0 432.505 4.604 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)cc1 ZINC000012040676 525132360 /nfs/dbraw/zinc/13/23/60/525132360.db2.gz HPTRAYSVNXFFNO-GOSISDBHSA-N 0 0 432.568 4.657 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1OC ZINC000033313159 525141101 /nfs/dbraw/zinc/14/11/01/525141101.db2.gz RXJDGUWLLRDJBD-GOSISDBHSA-N 0 0 446.551 4.642 50 0 IJAARN C[C@H](NC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035981578 525150637 /nfs/dbraw/zinc/15/06/37/525150637.db2.gz GHKUNTWXGFICKW-PISQRGRMSA-N 0 0 440.971 4.965 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000021099754 525185302 /nfs/dbraw/zinc/18/53/02/525185302.db2.gz YZPJSKLCESABFW-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1C ZINC000021099770 525187827 /nfs/dbraw/zinc/18/78/27/525187827.db2.gz RJRIIASMJHDCLV-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000021863067 525198135 /nfs/dbraw/zinc/19/81/35/525198135.db2.gz AVXLRTQNOYCQBN-AREMUKBSSA-N 0 0 449.526 4.751 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccc(F)c1 ZINC000021808398 525200055 /nfs/dbraw/zinc/20/00/55/525200055.db2.gz IHVAHGBRVUFNPZ-XMMPIXPASA-N 0 0 439.556 4.706 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)C1 ZINC000035239827 525202519 /nfs/dbraw/zinc/20/25/19/525202519.db2.gz FTRPLLOFQLVKHP-BZUAXINKSA-N 0 0 429.630 4.573 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021859588 525212051 /nfs/dbraw/zinc/21/20/51/525212051.db2.gz XCWNSXYFLOBICU-HHHXNRCGSA-N 0 0 441.506 4.512 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)c1ccccc1 ZINC000012864754 525239134 /nfs/dbraw/zinc/23/91/34/525239134.db2.gz TXYUJDMZYNGSJQ-UUOWRZLLSA-N 0 0 444.531 4.565 50 0 IJAARN CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1Cl ZINC000018120632 525239404 /nfs/dbraw/zinc/23/94/04/525239404.db2.gz CPBLNPQJGRLGSP-UHFFFAOYSA-N 0 0 446.878 4.615 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2ccccc2n2c1nc(-c1cccc(Cl)c1)cc2=O ZINC000021663754 525245224 /nfs/dbraw/zinc/24/52/24/525245224.db2.gz NZLNDQGVWSOTDV-UHFFFAOYSA-N 0 0 442.906 4.917 50 0 IJAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661122 525245765 /nfs/dbraw/zinc/24/57/65/525245765.db2.gz PCVMQOZLUPSBRW-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN Cc1ccccc1NC(=O)[C@H](C)SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21 ZINC000021936961 525261336 /nfs/dbraw/zinc/26/13/36/525261336.db2.gz UHSNELXKNSENCS-JXFKEZNVSA-N 0 0 434.565 4.760 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4cccc(C)c4)C3)s2)cc1 ZINC000033113322 525262658 /nfs/dbraw/zinc/26/26/58/525262658.db2.gz GMWPZDWTEAARRW-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)s2)cc1 ZINC000033113306 525262782 /nfs/dbraw/zinc/26/27/82/525262782.db2.gz KZPSNELKUQOOOF-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CCC3CCCC3)cc2Cl)c1 ZINC000012763521 525268671 /nfs/dbraw/zinc/26/86/71/525268671.db2.gz GLQLIBLYWCNXKR-UHFFFAOYSA-N 0 0 448.972 4.905 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCSCc2cccs2)cc1 ZINC000012507953 525271376 /nfs/dbraw/zinc/27/13/76/525271376.db2.gz VJLZGAFQHGDSHK-UHFFFAOYSA-N 0 0 446.619 4.521 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O ZINC000022240213 525317265 /nfs/dbraw/zinc/31/72/65/525317265.db2.gz BAYRTXWWMBNBGY-HXUWFJFHSA-N 0 0 434.254 4.755 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc(C)n2)cc1 ZINC000021795354 525322611 /nfs/dbraw/zinc/32/26/11/525322611.db2.gz FPBVRYCYPXTQDB-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)CCCSc3nc4ccccc4s3)CC2)cc1 ZINC000009635583 534848041 /nfs/dbraw/zinc/84/80/41/534848041.db2.gz WNOBMDACIKDXTM-UHFFFAOYSA-N 0 0 439.606 4.720 50 0 IJAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1=O ZINC000012871536 525333131 /nfs/dbraw/zinc/33/31/31/525333131.db2.gz YHMSNUDCNDSTOS-XMMPIXPASA-N 0 0 449.894 4.538 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561104 525344533 /nfs/dbraw/zinc/34/45/33/525344533.db2.gz VEJOPRKPPALOTK-NRFANRHFSA-N 0 0 434.467 4.569 50 0 IJAARN Cc1ccc(OCC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c(C)c1 ZINC000033048673 525389307 /nfs/dbraw/zinc/38/93/07/525389307.db2.gz LRFFJMUDFGHJFV-HSZRJFAPSA-N 0 0 431.467 4.777 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000021625217 525410708 /nfs/dbraw/zinc/41/07/08/525410708.db2.gz WCWPAYPFBFIPMS-XMMPIXPASA-N 0 0 441.531 4.988 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)nc3onc(C)c32)c(OC)c1 ZINC000023313281 525412959 /nfs/dbraw/zinc/41/29/59/525412959.db2.gz FMTWCINFTIABSF-LJQANCHMSA-N 0 0 433.464 4.786 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)ccc1F ZINC000012788415 525419659 /nfs/dbraw/zinc/41/96/59/525419659.db2.gz MVDNHDZSHLQQRZ-HNNXBMFYSA-N 0 0 444.553 4.756 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805770 525430016 /nfs/dbraw/zinc/43/00/16/525430016.db2.gz MJTVPTJIDVCMDT-RUZDIDTESA-N 0 0 444.510 4.684 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805659 525431687 /nfs/dbraw/zinc/43/16/87/525431687.db2.gz QFCNGLVGGAEVNT-VWLOTQADSA-N 0 0 426.520 4.545 50 0 IJAARN Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C ZINC000035445798 525467154 /nfs/dbraw/zinc/46/71/54/525467154.db2.gz DGUFDZPFOINCNB-OAHLLOKOSA-N 0 0 427.551 4.536 50 0 IJAARN Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)O2 ZINC000012243813 525472513 /nfs/dbraw/zinc/47/25/13/525472513.db2.gz MYTSXUPFSHCYDR-HXUWFJFHSA-N 0 0 426.438 4.738 50 0 IJAARN Cc1c(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cnn1-c1ccc(F)cc1 ZINC000033258092 525503357 /nfs/dbraw/zinc/50/33/57/525503357.db2.gz MRRLIKHSXSGFOP-UHFFFAOYSA-N 0 0 437.478 4.860 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2nccn2Cc2ccccc2C)cc1 ZINC000035979885 525514535 /nfs/dbraw/zinc/51/45/35/525514535.db2.gz FGBDXFVLDOSQPQ-UHFFFAOYSA-N 0 0 435.549 4.532 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1C ZINC000021940033 525531755 /nfs/dbraw/zinc/53/17/55/525531755.db2.gz FKLQHYKNSBIKIW-QGZVFWFLSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1cc2c(cc1C)n(CC(=O)Nc1cccc(Cl)c1)cc(C(=O)c1ccncc1)c2=O ZINC000035535157 525605798 /nfs/dbraw/zinc/60/57/98/525605798.db2.gz HISAGJJONPCYEN-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3)nc2c1 ZINC000021943561 525606446 /nfs/dbraw/zinc/60/64/46/525606446.db2.gz MVYOPDGSQPJTCS-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)N[C@H](C)CCc4ccccc4)CC3)[nH]c2c1 ZINC000035561991 525620895 /nfs/dbraw/zinc/62/08/95/525620895.db2.gz UFWCGPBRESNUCG-LJQANCHMSA-N 0 0 447.579 4.556 50 0 IJAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)n(Cc2cccc(F)c2)c(C)c1N1CCOCC1 ZINC000035837138 525634701 /nfs/dbraw/zinc/63/47/01/525634701.db2.gz HXONNPBUSXAWTH-IBGZPJMESA-N 0 0 435.543 4.620 50 0 IJAARN COc1ccc2cc3cc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)oc3nc2c1 ZINC000020210093 525643435 /nfs/dbraw/zinc/64/34/35/525643435.db2.gz ILWQCTKMEBLUSR-UHFFFAOYSA-N 0 0 435.911 4.914 50 0 IJAARN Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000020995929 525662866 /nfs/dbraw/zinc/66/28/66/525662866.db2.gz KRABVGVOPVIJLC-UHFFFAOYSA-N 0 0 436.384 4.550 50 0 IJAARN Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000012850510 525663090 /nfs/dbraw/zinc/66/30/90/525663090.db2.gz QEYBQXMGLRNVLF-UHFFFAOYSA-N 0 0 428.418 4.777 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000012540050 525678759 /nfs/dbraw/zinc/67/87/59/525678759.db2.gz SLZDJEUTATYFOY-AWEZNQCLSA-N 0 0 438.578 4.680 50 0 IJAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)c1 ZINC000012442104 525718829 /nfs/dbraw/zinc/71/88/29/525718829.db2.gz LPSAPUNWPFKWMI-UHFFFAOYSA-N 0 0 426.448 4.843 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)s1 ZINC000020603400 525731597 /nfs/dbraw/zinc/73/15/97/525731597.db2.gz UNCDWAOFYKULBF-SNVBAGLBSA-N 0 0 427.473 4.689 50 0 IJAARN COc1cccc(-c2noc(-c3cc(N4CCSCC4)nc4ccccc43)n2)c1OC ZINC000033282558 525735803 /nfs/dbraw/zinc/73/58/03/525735803.db2.gz DHEMWGIDHMNSLO-UHFFFAOYSA-N 0 0 434.521 4.522 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724459 525761457 /nfs/dbraw/zinc/76/14/57/525761457.db2.gz BMSVNQFXYPBRLE-UHFFFAOYSA-N 0 0 428.895 4.688 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860177 525777109 /nfs/dbraw/zinc/77/71/09/525777109.db2.gz GYHXADBZFWQLKJ-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)c1 ZINC000002955020 525780057 /nfs/dbraw/zinc/78/00/57/525780057.db2.gz YKPWAFAUQSFUKL-PNHLSOANSA-N 0 0 449.894 4.775 50 0 IJAARN Cc1ccc(-c2csc3[nH]c(CSc4nncn4-c4ccccc4)nc(=O)c23)s1 ZINC000012633142 525788004 /nfs/dbraw/zinc/78/80/04/525788004.db2.gz WLJZSMCQAUUEOJ-UHFFFAOYSA-N 0 0 437.575 4.895 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1Cl ZINC000021809440 525790586 /nfs/dbraw/zinc/79/05/86/525790586.db2.gz FERDSEZJQFHLKA-QHCPKHFHSA-N 0 0 441.984 4.830 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021855868 525791630 /nfs/dbraw/zinc/79/16/30/525791630.db2.gz NQTPQARUJDIQJH-SANMLTNESA-N 0 0 433.527 4.644 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1F ZINC000020902763 525791761 /nfs/dbraw/zinc/79/17/61/525791761.db2.gz UYRUYTHJTCQECI-VWLOTQADSA-N 0 0 437.490 4.788 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000021863064 525792223 /nfs/dbraw/zinc/79/22/23/525792223.db2.gz AVXLRTQNOYCQBN-SANMLTNESA-N 0 0 449.526 4.751 50 0 IJAARN Cc1c(NC=C(Cl)P(=O)(OC(C)C)OC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000035176772 525822245 /nfs/dbraw/zinc/82/22/45/525822245.db2.gz ZXIAJGWUECUQLI-ATVHPVEESA-N 0 0 427.869 4.977 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(O)cc3)n2-c2ccccc2)cc1C ZINC000033025625 525855700 /nfs/dbraw/zinc/85/57/00/525855700.db2.gz QLCSVGGJDLWCBY-UHFFFAOYSA-N 0 0 430.533 4.988 50 0 IJAARN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523338 525874350 /nfs/dbraw/zinc/87/43/50/525874350.db2.gz PZRUBRBLFNULDW-JOCHJYFZSA-N 0 0 434.565 4.684 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@H](C)C2)cc1C ZINC000012750844 525894001 /nfs/dbraw/zinc/89/40/01/525894001.db2.gz BEHJCVHZNFETLY-CALCHBBNSA-N 0 0 435.593 4.599 50 0 IJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)NCc4ccccc4Cl)CC3)cn2)cc1C ZINC000035403654 525907281 /nfs/dbraw/zinc/90/72/81/525907281.db2.gz LLQXGUISJFJRKM-UHFFFAOYSA-N 0 0 434.971 4.548 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000020617174 525914602 /nfs/dbraw/zinc/91/46/02/525914602.db2.gz XPEKGECMVYQYNX-PMACEKPBSA-N 0 0 432.568 4.636 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012550172 525918967 /nfs/dbraw/zinc/91/89/67/525918967.db2.gz RCSVQCSCHSUYGX-FZKQIMNGSA-N 0 0 448.748 4.509 50 0 IJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000012701643 525932136 /nfs/dbraw/zinc/93/21/36/525932136.db2.gz XRJMEOJEVJIKGD-NRFANRHFSA-N 0 0 431.536 4.672 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCCO1)occ3-c1ccccc1 ZINC000012887549 525962975 /nfs/dbraw/zinc/96/29/75/525962975.db2.gz FHXVQQUNNVGCTH-SFHVURJKSA-N 0 0 431.488 4.742 50 0 biogenic IJAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)Cc2ccc4ccccc4c2)C3)n1 ZINC000011977133 525983911 /nfs/dbraw/zinc/98/39/11/525983911.db2.gz NGNOERGQNMNRPB-OAQYLSRUSA-N 0 0 441.506 4.715 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398167 525998349 /nfs/dbraw/zinc/99/83/49/525998349.db2.gz ZUDUZUWSCJVPHR-OAQYLSRUSA-N 0 0 432.593 4.707 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012751896 526002260 /nfs/dbraw/zinc/00/22/60/526002260.db2.gz KYFUDPBRSYKVQH-ROUUACIJSA-N 0 0 441.556 4.844 50 0 IJAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012556800 526005281 /nfs/dbraw/zinc/00/52/81/526005281.db2.gz IKSBCORUWDIPJM-LLVKDONJSA-N 0 0 446.326 4.687 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4ccccc4C)C3=O)c2)c1 ZINC000035180893 526006214 /nfs/dbraw/zinc/00/62/14/526006214.db2.gz OSMMVQKCDCQFOA-UHFFFAOYSA-N 0 0 443.547 4.766 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)c1 ZINC000035181053 526006787 /nfs/dbraw/zinc/00/67/87/526006787.db2.gz OBHQKQHCVHNKOV-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000035181006 526007136 /nfs/dbraw/zinc/00/71/36/526007136.db2.gz SWYJYFUMHFHDOI-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN Cc1cc(C=CC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c(C)n1Cc1ccco1 ZINC000012596314 526081485 /nfs/dbraw/zinc/08/14/85/526081485.db2.gz VZOGPAXBBBNOMV-BQYQJAHWSA-N 0 0 426.520 4.952 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2cccc(OC)c2)c1 ZINC000033068686 526084104 /nfs/dbraw/zinc/08/41/04/526084104.db2.gz MEOVZIPHPFTNAT-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN COc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4cccc(OC)c4)c(=O)c32)c1 ZINC000035400471 526108233 /nfs/dbraw/zinc/10/82/33/526108233.db2.gz MRYGWLZTYNGLPI-UHFFFAOYSA-N 0 0 443.478 4.604 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCC[C@@H]2c2cccs2)nn1-c1ccccc1C(F)(F)F ZINC000022131826 526125817 /nfs/dbraw/zinc/12/58/17/526125817.db2.gz VKTYPWLZLOTUCO-MRXNPFEDSA-N 0 0 433.455 4.599 50 0 IJAARN Cc1ccc2c(Cl)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2c1 ZINC000017096242 526132089 /nfs/dbraw/zinc/13/20/89/526132089.db2.gz NLTGOVNXSJDVAL-UHFFFAOYSA-N 0 0 428.941 4.550 50 0 IJAARN Cc1ccc2c(c1)-c1onc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c1CO2 ZINC000020509916 526134918 /nfs/dbraw/zinc/13/49/18/526134918.db2.gz JNRAPWYIVXICCV-UHFFFAOYSA-N 0 0 443.425 4.524 50 0 IJAARN COc1cccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021808171 526143042 /nfs/dbraw/zinc/14/30/42/526143042.db2.gz LCSFSNFVMLFVRQ-DEOSSOPVSA-N 0 0 437.565 4.579 50 0 IJAARN COc1cccc(NC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)c1 ZINC000020437531 526171461 /nfs/dbraw/zinc/17/14/61/526171461.db2.gz NPOHYXWAMMTHMD-UHFFFAOYSA-N 0 0 430.508 4.761 50 0 IJAARN Cc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000020604183 526179100 /nfs/dbraw/zinc/17/91/00/526179100.db2.gz JUELFIZIHFHHLG-OAQYLSRUSA-N 0 0 431.554 4.757 50 0 IJAARN Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2C ZINC000021169477 526198200 /nfs/dbraw/zinc/19/82/00/526198200.db2.gz RHBXQOOSNRXRGT-FQEVSTJZSA-N 0 0 429.907 4.650 50 0 IJAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)c1 ZINC000035181022 526202631 /nfs/dbraw/zinc/20/26/31/526202631.db2.gz LSFWOPGGQVDNBU-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1cc(C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1Cc1cccs1 ZINC000022799780 526206721 /nfs/dbraw/zinc/20/67/21/526206721.db2.gz UMUXSRWKSQNHQX-UXBLZVDNSA-N 0 0 433.621 4.728 50 0 IJAARN Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1 ZINC000023564242 526210698 /nfs/dbraw/zinc/21/06/98/526210698.db2.gz JUIHKDCZMCJGTF-SFHVURJKSA-N 0 0 440.565 4.642 50 0 IJAARN Cc1cc(C(=O)CSc2nc(-c3ccccc3)cs2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000012808443 526214296 /nfs/dbraw/zinc/21/42/96/526214296.db2.gz XQTQSDLQLZVJBY-KRWDZBQOSA-N 0 0 446.619 4.563 50 0 IJAARN Cc1ccc(C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000035527690 526216828 /nfs/dbraw/zinc/21/68/28/526216828.db2.gz RWDJTHYOKUJENB-UHFFFAOYSA-N 0 0 441.487 4.696 50 0 IJAARN Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1NC(=O)c1ccco1 ZINC000012786797 526228656 /nfs/dbraw/zinc/22/86/56/526228656.db2.gz DTKNPWIDJDYGHX-HNNXBMFYSA-N 0 0 438.553 4.781 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4CSc5ncc(C)c(=O)n54)cc3)sc2c1 ZINC000012236600 526241410 /nfs/dbraw/zinc/24/14/10/526241410.db2.gz RPSZQQCNICJHBF-KRWDZBQOSA-N 0 0 448.573 4.812 50 0 IJAARN Cc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3cccc4ccccc43)sc2c1 ZINC000020743060 526251167 /nfs/dbraw/zinc/25/11/67/526251167.db2.gz VIILBQRLTSKCNZ-UHFFFAOYSA-N 0 0 445.588 4.666 50 0 IJAARN O=C(NCCCn1c2ncccc2nc1-c1ccncc1)Nc1cccc(C(F)(F)F)c1 ZINC000033263868 526284109 /nfs/dbraw/zinc/28/41/09/526284109.db2.gz JMTCRJVJZQKBED-UHFFFAOYSA-N 0 0 440.429 4.724 50 0 IJAARN Fc1ccc(-n2ccc(C3=NO[C@@H](CNc4ncc(C(F)(F)F)cc4Cl)C3)n2)cc1 ZINC000020404918 526320628 /nfs/dbraw/zinc/32/06/28/526320628.db2.gz LQDIEEPWSQXNJN-CQSZACIVSA-N 0 0 439.800 4.684 50 0 IJAARN O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000035422695 526348761 /nfs/dbraw/zinc/34/87/61/526348761.db2.gz RLJMKLOXBBDIQL-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN O=C(CCC(=O)N1Cc2cccn2-c2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000021663663 526383439 /nfs/dbraw/zinc/38/34/39/526383439.db2.gz ZAOLZNJQTVQTLK-UHFFFAOYSA-N 0 0 446.938 4.598 50 0 IJAARN Cc1csc(SCC(=O)N2CCOc3ccc([C@@H](O)C4CCCCC4)cc3C2)n1 ZINC000012121622 526397624 /nfs/dbraw/zinc/39/76/24/526397624.db2.gz IECXFUGQGLRMFL-NRFANRHFSA-N 0 0 432.611 4.579 50 0 IJAARN O=C(OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2)c1ccncc1 ZINC000012679351 526424055 /nfs/dbraw/zinc/42/40/55/526424055.db2.gz OZQYOJPMZMYOGE-OAQYLSRUSA-N 0 0 426.266 4.809 50 0 IJAARN Cc1csc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n12 ZINC000020583069 526456427 /nfs/dbraw/zinc/45/64/27/526456427.db2.gz BWNPJXVTTFRCIS-UHFFFAOYSA-N 0 0 425.510 4.748 50 0 IJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000033072736 526466720 /nfs/dbraw/zinc/46/67/20/526466720.db2.gz DTJVABBJDOOQDY-UHFFFAOYSA-N 0 0 436.918 4.911 50 0 IJAARN c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc(N3CCOCC3)n2)cc1 ZINC000012235205 526483555 /nfs/dbraw/zinc/48/35/55/526483555.db2.gz DYBXBXCJQHWXEI-UHFFFAOYSA-N 0 0 440.507 4.988 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1 ZINC000034713323 526521572 /nfs/dbraw/zinc/52/15/72/526521572.db2.gz SLQBMWYOBKQTPR-KRWDZBQOSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000016047981 526537081 /nfs/dbraw/zinc/53/70/81/526537081.db2.gz NIJJEJQXCNALRY-UHFFFAOYSA-N 0 0 440.521 4.905 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2)cs1 ZINC000012734607 526569046 /nfs/dbraw/zinc/56/90/46/526569046.db2.gz QWERQKDTCWJIKK-UHFFFAOYSA-N 0 0 436.581 4.558 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3nnn(-c4cccc(C(F)(F)F)c4)c3C)o2)cs1 ZINC000012749463 526571028 /nfs/dbraw/zinc/57/10/28/526571028.db2.gz OWDZVPBRIZMDPL-UHFFFAOYSA-N 0 0 447.442 4.549 50 0 IJAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5ccccc5C4)c23)c1 ZINC000012601358 526574607 /nfs/dbraw/zinc/57/46/07/526574607.db2.gz SQBSUCRCCJWSQS-UHFFFAOYSA-N 0 0 448.617 4.815 50 0 IJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000017121199 526584000 /nfs/dbraw/zinc/58/40/00/526584000.db2.gz NGCFSUAENHIVPA-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN O=C(CCc1ccc(OC(F)F)cc1)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000012888714 526594745 /nfs/dbraw/zinc/59/47/45/526594745.db2.gz ZNGYNPGHPNGMSA-UHFFFAOYSA-N 0 0 443.475 4.868 50 0 IJAARN Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1 ZINC000023982858 526595198 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O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000012055705 527309352 /nfs/dbraw/zinc/30/93/52/527309352.db2.gz NMEMFWQLPFYEGG-IBGZPJMESA-N 0 0 433.483 4.849 50 0 IJAARN O=C(Cc1csc(-c2cccc(Br)c2)n1)NCCc1c[nH]c2ccccc12 ZINC000017295899 527332309 /nfs/dbraw/zinc/33/23/09/527332309.db2.gz WROGTLNHRNMNIG-UHFFFAOYSA-N 0 0 440.366 4.955 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccnn1Cc1cc(Br)cs1 ZINC000012729365 527333588 /nfs/dbraw/zinc/33/35/88/527333588.db2.gz UYNUFZAOPXGGBN-UHFFFAOYSA-N 0 0 449.355 4.653 50 0 IJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012567839 527334185 /nfs/dbraw/zinc/33/41/85/527334185.db2.gz YKMPEFVYMQORHN-UHFFFAOYSA-N 0 0 446.016 4.647 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(I)c1 ZINC000012791595 527334930 /nfs/dbraw/zinc/33/49/30/527334930.db2.gz BWRDLJWNKXVRLU-UHFFFAOYSA-N 0 0 426.304 4.657 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885211 527342809 /nfs/dbraw/zinc/34/28/09/527342809.db2.gz AIPSMKOSCIGCKT-INIZCTEOSA-N 0 0 436.899 4.649 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(Br)cc1 ZINC000012853137 527406462 /nfs/dbraw/zinc/40/64/62/527406462.db2.gz RHGOJXRUFFNNBF-UHFFFAOYSA-N 0 0 446.351 4.588 50 0 IJAARN Nc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1cccs1 ZINC000012342075 527429572 /nfs/dbraw/zinc/42/95/72/527429572.db2.gz XIUVKYWSAGCHDJ-UHFFFAOYSA-N 0 0 440.322 4.829 50 0 IJAARN O=C(NC(=S)Nc1ccc(-n2nncc2-c2ccco2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012659584 527459454 /nfs/dbraw/zinc/45/94/54/527459454.db2.gz DYEWQFXIEBZBBE-UHFFFAOYSA-N 0 0 447.564 4.557 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000012770238 527499292 /nfs/dbraw/zinc/49/92/92/527499292.db2.gz XIYUIGRJXYATCU-UHFFFAOYSA-N 0 0 446.576 4.575 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1I ZINC000024747378 527499966 /nfs/dbraw/zinc/49/99/66/527499966.db2.gz OPKWUORRHZUWKX-UHFFFAOYSA-N 0 0 448.285 4.602 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000012377491 527500000 /nfs/dbraw/zinc/50/00/00/527500000.db2.gz DCXMDIRLKIBXPA-UHFFFAOYSA-N 0 0 431.517 4.595 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000011956616 527510657 /nfs/dbraw/zinc/51/06/57/527510657.db2.gz FSHQAOQFWXGSPO-QGZVFWFLSA-N 0 0 430.976 4.739 50 0 IJAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)Nc1ccc(F)cc1F ZINC000033275315 527517249 /nfs/dbraw/zinc/51/72/49/527517249.db2.gz OPMOHCZYEVARJT-UHFFFAOYSA-N 0 0 435.434 4.947 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892871 527528465 /nfs/dbraw/zinc/52/84/65/527528465.db2.gz SWDUFCPTBCNKBZ-GOSISDBHSA-N 0 0 432.318 4.857 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1ccc(C)c(F)c1 ZINC000033497198 527528691 /nfs/dbraw/zinc/52/86/91/527528691.db2.gz MDTSOGVVNMTROX-KTKRTIGZSA-N 0 0 445.853 4.616 50 0 IJAARN Cn1cnnc1Sc1ccc(CN2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458367 527529435 /nfs/dbraw/zinc/52/94/35/527529435.db2.gz ZIQNWUQJZJMKEF-GOSISDBHSA-N 0 0 432.549 4.807 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012917470 527542574 /nfs/dbraw/zinc/54/25/74/527542574.db2.gz XXDZXRXTCWDMJD-UHFFFAOYSA-N 0 0 443.878 4.640 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](Cn3cccn3)C(C)(C)C)c12 ZINC000036616514 527554747 /nfs/dbraw/zinc/55/47/47/527554747.db2.gz MIPUEYIPCAKGCR-QFIPXVFZSA-N 0 0 442.567 4.648 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 ZINC000021660821 527571616 /nfs/dbraw/zinc/57/16/16/527571616.db2.gz LEKBWNJWXCPDLS-OAHLLOKOSA-N 0 0 425.414 4.560 50 0 IJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000021660847 527571648 /nfs/dbraw/zinc/57/16/48/527571648.db2.gz UZTQEPMFPWGCMF-GFCCVEGCSA-N 0 0 441.260 4.698 50 0 IJAARN OCCn1c(CSc2nnc(Cc3cccs3)n2C2CC2)nc2ccc(Cl)cc21 ZINC000012559990 527576211 /nfs/dbraw/zinc/57/62/11/527576211.db2.gz ZHORVHRJRFUZRN-UHFFFAOYSA-N 0 0 446.001 4.553 50 0 IJAARN Nc1nnc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)s1 ZINC000012632514 527577228 /nfs/dbraw/zinc/57/72/28/527577228.db2.gz BNDFFNNHEJOCPW-FQEVSTJZSA-N 0 0 445.573 4.744 50 0 IJAARN Nc1nnc(SCC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)s1 ZINC000012806729 527577243 /nfs/dbraw/zinc/57/72/43/527577243.db2.gz OHCMSBWCIGUNAA-UHFFFAOYSA-N 0 0 449.045 4.863 50 0 IJAARN O=C(/C=C/c1ccc(I)o1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012264958 527610241 /nfs/dbraw/zinc/61/02/41/527610241.db2.gz VFAQKGVNNYISCH-SXAWMYDMSA-N 0 0 435.286 4.865 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012075760 527617087 /nfs/dbraw/zinc/61/70/87/527617087.db2.gz VLWZFNKVNVREEZ-JOCHJYFZSA-N 0 0 445.563 4.883 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012470373 527617988 /nfs/dbraw/zinc/61/79/88/527617988.db2.gz IFLYXJQRYHTJSP-DEOSSOPVSA-N 0 0 429.564 4.758 50 0 IJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020617394 527627486 /nfs/dbraw/zinc/62/74/86/527627486.db2.gz TYIJOERSGRRNGW-UHFFFAOYSA-N 0 0 447.486 4.728 50 0 IJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000012852417 527646545 /nfs/dbraw/zinc/64/65/45/527646545.db2.gz ZRRYBCRFMGEGTQ-RFAWQRTRSA-N 0 0 448.526 4.795 50 0 IJAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1ccc(Br)c(Br)c1 ZINC000033333975 527657169 /nfs/dbraw/zinc/65/71/69/527657169.db2.gz IDZRXYRSTOWUIB-KXFIGUGUSA-N 0 0 425.076 4.592 50 0 IJAARN O=C(/C=C\c1ccccc1)OC[C@H]1[C@@H](COC(=O)/C=C\c2ccccc2)C1(Cl)Cl ZINC000034705949 527658140 /nfs/dbraw/zinc/65/81/40/527658140.db2.gz OPEOMUGBUBKGGU-FBNINOIKSA-N 0 0 431.315 4.920 50 0 IJAARN CCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1 ZINC000006704888 534977133 /nfs/dbraw/zinc/97/71/33/534977133.db2.gz OKXSDGLTVZVEPM-UHFFFAOYSA-N 0 0 429.008 4.957 50 0 IJAARN CC1CCN(c2ccc(NC(=O)CSc3nnc(NCc4ccco4)s3)cc2)CC1 ZINC000009847699 535286394 /nfs/dbraw/zinc/28/63/94/535286394.db2.gz QIIRHEHXORMJHK-UHFFFAOYSA-N 0 0 443.598 4.710 50 0 IJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000000949618 535715323 /nfs/dbraw/zinc/71/53/23/535715323.db2.gz NSHKSSCLBOOMNI-UHFFFAOYSA-N 0 0 433.508 4.932 50 0 IJAARN CCOC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000009531123 535779623 /nfs/dbraw/zinc/77/96/23/535779623.db2.gz ZAMSRJZALUUYQH-UHFFFAOYSA-N 0 0 441.535 4.674 50 0 IJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000009227654 535962506 /nfs/dbraw/zinc/96/25/06/535962506.db2.gz WXODHLRNPIQBSN-SFHVURJKSA-N 0 0 445.498 4.841 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2-c2ccc(C)o2)c(OC)c1 ZINC000010950757 536666837 /nfs/dbraw/zinc/66/68/37/536666837.db2.gz MWTRFHDIKZXVCY-HSZRJFAPSA-N 0 0 430.464 4.766 50 0 IJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3OC)CC2)n1 ZINC000002237439 536970099 /nfs/dbraw/zinc/97/00/99/536970099.db2.gz VAACNUHBNNORND-UHFFFAOYSA-N 0 0 444.457 4.506 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)NC1CCCCC1 ZINC000009176110 555509968 /nfs/dbraw/zinc/50/99/68/555509968.db2.gz OYTVCPSXHMKIMA-HNNXBMFYSA-N 0 0 441.984 4.969 50 0 IJAARN CCOc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000000624994 555512010 /nfs/dbraw/zinc/51/20/10/555512010.db2.gz XCTWXFVXWUXSLF-UHFFFAOYSA-N 0 0 439.107 4.739 50 0 IJAARN Cc1c(OCC(=O)c2ccc3c(c2)OCO3)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000630256 555514586 /nfs/dbraw/zinc/51/45/86/555514586.db2.gz ZXGTZCQHTFECGW-UHFFFAOYSA-N 0 0 442.467 4.991 50 0 biogenic IJAARN C[C@@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000000636279 555517022 /nfs/dbraw/zinc/51/70/22/555517022.db2.gz JSYZJIHCFGAAPF-INIZCTEOSA-N 0 0 428.517 4.609 50 0 IJAARN Brc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1 ZINC000000637402 555517309 /nfs/dbraw/zinc/51/73/09/555517309.db2.gz VEAIVTYBLXDRJH-LNVKXUELSA-N 0 0 444.398 4.544 50 0 IJAARN Cc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2I)cc1 ZINC000000641728 555518695 /nfs/dbraw/zinc/51/86/95/555518695.db2.gz AGDBBQCGPOPHKL-UHFFFAOYSA-N 0 0 448.256 4.585 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCOCC2)C1 ZINC000000643958 555519479 /nfs/dbraw/zinc/51/94/79/555519479.db2.gz COXZIDIKOPGBHC-MRXNPFEDSA-N 0 0 444.572 4.763 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 ZINC000000644056 555519835 /nfs/dbraw/zinc/51/98/35/555519835.db2.gz IXIPWNVUOJLCTF-UHFFFAOYSA-N 0 0 448.544 4.847 50 0 IJAARN Cc1c(Br)c(=O)oc2c1c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000000646877 555521249 /nfs/dbraw/zinc/52/12/49/555521249.db2.gz LXAJGLBFSSWCDK-UHFFFAOYSA-N 0 0 441.306 4.535 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 ZINC000000649737 555522490 /nfs/dbraw/zinc/52/24/90/555522490.db2.gz UKDRLUBQARAPKS-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cn1 ZINC000000657442 555525415 /nfs/dbraw/zinc/52/54/15/555525415.db2.gz JZMYKFGESTWECY-LEWJYISDSA-N 0 0 429.564 4.584 50 0 IJAARN CCc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000659658 555526402 /nfs/dbraw/zinc/52/64/02/555526402.db2.gz HILAFCSTRHTDFZ-UHFFFAOYSA-N 0 0 436.577 4.695 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2)N1CCCC1 ZINC000000674991 555534060 /nfs/dbraw/zinc/53/40/60/555534060.db2.gz IHEGGJMSSCMLQU-ZFWWWQNUSA-N 0 0 443.267 4.542 50 0 IJAARN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)NCc1ccccc1 ZINC000000686600 555539786 /nfs/dbraw/zinc/53/97/86/555539786.db2.gz PYEBIAQIMWRVKY-UHFFFAOYSA-N 0 0 438.597 4.717 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 ZINC000000702596 555543175 /nfs/dbraw/zinc/54/31/75/555543175.db2.gz DUWXFCRCQGCZDQ-KRWDZBQOSA-N 0 0 427.353 4.843 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)cc1C ZINC000000702450 555543392 /nfs/dbraw/zinc/54/33/92/555543392.db2.gz MVFFXDSIRHRUOU-MRXNPFEDSA-N 0 0 448.778 4.855 50 0 IJAARN COC(=O)c1cc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc(C(=O)OC)c1 ZINC000000710425 555547083 /nfs/dbraw/zinc/54/70/83/555547083.db2.gz DPKCBVABQXDHEV-UHFFFAOYSA-N 0 0 428.444 4.971 50 0 IJAARN Cc1nc(NCc2ccccc2)nc2c1cc(Br)c(=O)n2Cc1ccccc1 ZINC000000751768 555553257 /nfs/dbraw/zinc/55/32/57/555553257.db2.gz STJMMZGSKWUTTO-UHFFFAOYSA-N 0 0 435.325 4.523 50 0 IJAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1 ZINC000000755081 555553849 /nfs/dbraw/zinc/55/38/49/555553849.db2.gz PKQJLAFKFGNPJH-UHFFFAOYSA-N 0 0 438.615 4.505 50 0 IJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000000786427 555556419 /nfs/dbraw/zinc/55/64/19/555556419.db2.gz FQOPTYPEGYWIFR-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1cnn(-c2ccccc2)c1)OCCCO3 ZINC000000795551 555557944 /nfs/dbraw/zinc/55/79/44/555557944.db2.gz CSGWEAPZQSTATH-UHFFFAOYSA-N 0 0 428.366 4.826 50 0 IJAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000000808686 555560289 /nfs/dbraw/zinc/56/02/89/555560289.db2.gz SRFXRJGMARDNKH-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000816895 555562935 /nfs/dbraw/zinc/56/29/35/555562935.db2.gz MZYBVLWCGSAUFZ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000000831034 555566432 /nfs/dbraw/zinc/56/64/32/555566432.db2.gz UNFGSGOKEJSXNZ-UHFFFAOYSA-N 0 0 432.134 4.898 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000839833 555567928 /nfs/dbraw/zinc/56/79/28/555567928.db2.gz DLGSVCWRMHGDMM-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN O=C(Nc1cccc(Br)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000000841762 555568133 /nfs/dbraw/zinc/56/81/33/555568133.db2.gz RMEKWAWYMZPNHN-QGOAFFKASA-N 0 0 427.323 4.920 50 0 IJAARN CCOc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc(OCC)c1OCC ZINC000000847204 555569875 /nfs/dbraw/zinc/56/98/75/555569875.db2.gz NCRJEADTEJUDPI-UHFFFAOYSA-N 0 0 438.480 4.980 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000857850 555571638 /nfs/dbraw/zinc/57/16/38/555571638.db2.gz RNLWVGZEAODGGN-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1OC ZINC000000865985 555573788 /nfs/dbraw/zinc/57/37/88/555573788.db2.gz WMWNRYMLTKMMOT-APWZRJJASA-N 0 0 446.429 4.813 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000876304 555576161 /nfs/dbraw/zinc/57/61/61/555576161.db2.gz PGJGCSYNXLIFJI-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000000887966 555579323 /nfs/dbraw/zinc/57/93/23/555579323.db2.gz NYXJYTXVNHEZAO-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CCOc1cc(NC(=O)c2cccc(OC)c2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000000912352 555582795 /nfs/dbraw/zinc/58/27/95/555582795.db2.gz GFSDPSSSOOIWEB-UHFFFAOYSA-N 0 0 434.492 4.997 50 0 IJAARN O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000000941389 555587063 /nfs/dbraw/zinc/58/70/63/555587063.db2.gz ZALZAAXMZNDBBN-UHFFFAOYSA-N 0 0 442.437 4.695 50 0 IJAARN COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000000946307 555587962 /nfs/dbraw/zinc/58/79/62/555587962.db2.gz XQUUGPJYKYTOQL-UHFFFAOYSA-N 0 0 442.096 4.547 50 0 IJAARN CCOc1ccc(NC(=O)/C(=C/c2cccc(OC)c2OC)NC(=O)c2ccccc2)cc1 ZINC000000971173 555591438 /nfs/dbraw/zinc/59/14/38/555591438.db2.gz UTAQVIQXAGOIOC-XLNRJJMWSA-N 0 0 446.503 4.512 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000000979741 555593068 /nfs/dbraw/zinc/59/30/68/555593068.db2.gz HMRIUOQTZQNZNI-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccc(Br)cc1 ZINC000001026426 555604306 /nfs/dbraw/zinc/60/43/06/555604306.db2.gz FCZPFSZZMYVSRU-UHFFFAOYSA-N 0 0 425.311 4.955 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc([C@H](O)c2ccccc2)n1-c1ccccc1 ZINC000001027227 555604708 /nfs/dbraw/zinc/60/47/08/555604708.db2.gz ZDHQMBHWQJNYFD-HSZRJFAPSA-N 0 0 445.544 4.853 50 0 IJAARN COc1cc(CC[C@@H](C)NC(=O)Cc2ccccc2)ccc1OC(=O)Cc1ccccc1 ZINC000001037028 555608486 /nfs/dbraw/zinc/60/84/86/555608486.db2.gz CTRZOBOJBKWDTQ-HXUWFJFHSA-N 0 0 431.532 4.523 50 0 IJAARN Brc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001041331 555610069 /nfs/dbraw/zinc/61/00/69/555610069.db2.gz UIYPDMQYSRBQCY-UHFFFAOYSA-N 0 0 443.308 4.945 50 0 IJAARN CC(C)(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000001045915 555610902 /nfs/dbraw/zinc/61/09/02/555610902.db2.gz ZWYRTFKHWYWOIS-UHFFFAOYSA-N 0 0 431.627 4.968 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)cc1 ZINC000001049080 555612413 /nfs/dbraw/zinc/61/24/13/555612413.db2.gz XLXHOMRBGBHWCH-UHFFFAOYSA-N 0 0 432.904 4.770 50 0 IJAARN Cc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000001051846 555613294 /nfs/dbraw/zinc/61/32/94/555613294.db2.gz HUJIXMWIKXGQLR-KRWDZBQOSA-N 0 0 437.348 4.614 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(I)cc3C)cc2)n1 ZINC000001052480 555613652 /nfs/dbraw/zinc/61/36/52/555613652.db2.gz NYGZPGJBENATGK-UHFFFAOYSA-N 0 0 431.277 4.654 50 0 IJAARN CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000001052952 555613930 /nfs/dbraw/zinc/61/39/30/555613930.db2.gz FWRLJNXMBNNDIM-UHFFFAOYSA-N 0 0 441.734 4.656 50 0 IJAARN CCc1c(C)sc(NC(=O)c2cc(OC)c(OC)cc2OC)c1C(=O)NC1CCCC1 ZINC000001056582 555614523 /nfs/dbraw/zinc/61/45/23/555614523.db2.gz IXWGDXCXMHDOQL-UHFFFAOYSA-N 0 0 446.569 4.569 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001061550 555616447 /nfs/dbraw/zinc/61/64/47/555616447.db2.gz XEJDTNCBWSRFQA-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1 ZINC000001062354 555616693 /nfs/dbraw/zinc/61/66/93/555616693.db2.gz NBSIXKHLZKRSDA-UHFFFAOYSA-N 0 0 426.563 4.917 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cc2ccccc2o1 ZINC000001068041 555619293 /nfs/dbraw/zinc/61/92/93/555619293.db2.gz KCNGQCDECXHTFM-UHFFFAOYSA-N 0 0 431.517 4.709 50 0 IJAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000001068194 555619324 /nfs/dbraw/zinc/61/93/24/555619324.db2.gz QSVGGJQTOFVSPU-HXUWFJFHSA-N 0 0 449.001 4.899 50 0 IJAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000001068192 555619344 /nfs/dbraw/zinc/61/93/44/555619344.db2.gz QSVGGJQTOFVSPU-FQEVSTJZSA-N 0 0 449.001 4.899 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000001070448 555620867 /nfs/dbraw/zinc/62/08/67/555620867.db2.gz JNGQUESEQLYVNH-QHCPKHFHSA-N 0 0 425.937 4.760 50 0 IJAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000001072595 555621834 /nfs/dbraw/zinc/62/18/34/555621834.db2.gz SHSZYTRZQGGKTL-UHFFFAOYSA-N 0 0 426.365 4.979 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2C(F)(F)F)c(C)c1 ZINC000001077607 555624973 /nfs/dbraw/zinc/62/49/73/555624973.db2.gz ACGNQNRNEGATGU-LJQANCHMSA-N 0 0 427.430 4.841 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000001087264 555626641 /nfs/dbraw/zinc/62/66/41/555626641.db2.gz PTUDBTISKNFBFH-UHFFFAOYSA-N 0 0 427.241 4.775 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000001096577 555628100 /nfs/dbraw/zinc/62/81/00/555628100.db2.gz TVCCVOSBTAIIEY-UHFFFAOYSA-N 0 0 445.500 4.647 50 0 IJAARN O=C1[C@H]2CS[C@@H](c3ccc(Br)cc3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000001101382 555628666 /nfs/dbraw/zinc/62/86/66/555628666.db2.gz INELOOJMLLFKCG-ZBFHGGJFSA-N 0 0 439.787 4.850 50 0 IJAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000001110099 555631097 /nfs/dbraw/zinc/63/10/97/555631097.db2.gz PIRVYQLNLORFQB-UHFFFAOYSA-N 0 0 425.710 4.859 50 0 IJAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000001112202 555632386 /nfs/dbraw/zinc/63/23/86/555632386.db2.gz RQADHQSKBKYLBI-UHFFFAOYSA-N 0 0 430.574 4.910 50 0 IJAARN Nc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000001112420 555632441 /nfs/dbraw/zinc/63/24/41/555632441.db2.gz ACEJWITZLZSFLY-UHFFFAOYSA-N 0 0 435.940 4.901 50 0 IJAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000001113855 555633202 /nfs/dbraw/zinc/63/32/02/555633202.db2.gz UUZWISVUAZWXHQ-QGZVFWFLSA-N 0 0 433.316 4.761 50 0 IJAARN CN(c1ccccc1C(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000001117399 555635119 /nfs/dbraw/zinc/63/51/19/555635119.db2.gz QEKGJMHPTZEJNO-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000001117635 555635260 /nfs/dbraw/zinc/63/52/60/555635260.db2.gz MFHLYYNSLNPOGK-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN Cc1nc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1I ZINC000001119693 555637015 /nfs/dbraw/zinc/63/70/15/555637015.db2.gz XBWMTZYQLVHHPL-UHFFFAOYSA-N 0 0 444.272 4.826 50 0 IJAARN CCOC(=O)c1ccc(NC(=S)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000001121308 555637973 /nfs/dbraw/zinc/63/79/73/555637973.db2.gz SVNQUAXDUJLWBT-UHFFFAOYSA-N 0 0 433.533 4.602 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000001126345 555641025 /nfs/dbraw/zinc/64/10/25/555641025.db2.gz MMMKDAANMIKAIJ-HXUWFJFHSA-N 0 0 443.334 4.987 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2 ZINC000001128896 555643041 /nfs/dbraw/zinc/64/30/41/555643041.db2.gz MTPRIXVIKGKWOE-OAHLLOKOSA-N 0 0 438.549 4.761 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001133503 555646091 /nfs/dbraw/zinc/64/60/91/555646091.db2.gz MUKYCLCQHMQOGJ-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN Cc1cccc(CN(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001137154 555647532 /nfs/dbraw/zinc/64/75/32/555647532.db2.gz AVTUSWASLJGHNS-UHFFFAOYSA-N 0 0 449.016 4.678 50 0 IJAARN COc1nnc(-c2ccc(C)c(S(=O)(=O)N[C@H](C)c3ccccc3)c2)c2ccccc21 ZINC000001137588 555647733 /nfs/dbraw/zinc/64/77/33/555647733.db2.gz IPAYWBRVWMVVMK-QGZVFWFLSA-N 0 0 433.533 4.653 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000001138851 555648394 /nfs/dbraw/zinc/64/83/94/555648394.db2.gz OGNBUDOGNJCCAM-MBSDFSHPSA-N 0 0 429.520 4.722 50 0 IJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001139153 555648860 /nfs/dbraw/zinc/64/88/60/555648860.db2.gz NMIZFIUKASEIEK-UHFFFAOYSA-N 0 0 441.505 4.788 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2C)c(OC)c1OC ZINC000001140837 555649716 /nfs/dbraw/zinc/64/97/16/555649716.db2.gz CPYYZMJFEBPMLJ-UHFFFAOYSA-N 0 0 434.492 4.834 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000001143928 555652079 /nfs/dbraw/zinc/65/20/79/555652079.db2.gz CTVYXOCNIRSRBT-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000001145338 555652915 /nfs/dbraw/zinc/65/29/15/555652915.db2.gz DLSWNJJNULKEKZ-UHFFFAOYSA-N 0 0 440.540 4.893 50 0 IJAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000001145299 555652993 /nfs/dbraw/zinc/65/29/93/555652993.db2.gz SEGRJRCJSWHEPZ-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(I)c1 ZINC000001146539 555653762 /nfs/dbraw/zinc/65/37/62/555653762.db2.gz PSPUQDOEVUSLHI-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001147234 555654132 /nfs/dbraw/zinc/65/41/32/555654132.db2.gz GLWBKNYFWIEIBZ-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)cc(OC)c1OC ZINC000001149023 555655304 /nfs/dbraw/zinc/65/53/04/555655304.db2.gz JMZGBRPWNJVQOI-UHFFFAOYSA-N 0 0 434.208 4.746 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(F)cc2)cc1 ZINC000001149841 555655897 /nfs/dbraw/zinc/65/58/97/555655897.db2.gz OYWJVDBHGPLIGR-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1C ZINC000001152482 555656896 /nfs/dbraw/zinc/65/68/96/555656896.db2.gz SWFFXGJMANDAJQ-HSZRJFAPSA-N 0 0 431.561 4.897 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc4ccccc4o3)n2)cc1OC ZINC000001156281 555658992 /nfs/dbraw/zinc/65/89/92/555658992.db2.gz OAXJJHDXPGHFJM-UHFFFAOYSA-N 0 0 439.518 4.700 50 0 IJAARN O=C(COc1ccccc1Cl)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000001159265 555660866 /nfs/dbraw/zinc/66/08/66/555660866.db2.gz OYHXLKHEDVIVGZ-UHFFFAOYSA-N 0 0 444.940 4.821 50 0 IJAARN Fc1ccccc1Cn1cc(C(=S)N2CCOCC2)c2cc(Br)ccc21 ZINC000001161604 555662015 /nfs/dbraw/zinc/66/20/15/555662015.db2.gz MJPJQJCCDDSBCT-UHFFFAOYSA-N 0 0 433.346 4.599 50 0 IJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000001172971 555667909 /nfs/dbraw/zinc/66/79/09/555667909.db2.gz RBGDPORMPVVDID-UHFFFAOYSA-N 0 0 432.505 4.804 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000001173567 555668416 /nfs/dbraw/zinc/66/84/16/555668416.db2.gz XHOJBIRXAPEOQW-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1Br ZINC000001173591 555668461 /nfs/dbraw/zinc/66/84/61/555668461.db2.gz LQPITKVCBCZUMW-UHFFFAOYSA-N 0 0 443.750 4.637 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1Br ZINC000001174163 555668708 /nfs/dbraw/zinc/66/87/08/555668708.db2.gz OXNHNJBSDULFPH-UHFFFAOYSA-N 0 0 427.751 4.936 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000001183469 555673135 /nfs/dbraw/zinc/67/31/35/555673135.db2.gz GJCSTILUVXXYAX-DLBZAZTESA-N 0 0 428.410 4.803 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1)Nc1ccccc1 ZINC000001185012 555673749 /nfs/dbraw/zinc/67/37/49/555673749.db2.gz IWALEELEVHRRFY-NRFANRHFSA-N 0 0 449.963 4.871 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(Br)c1)Nc1ccccc1-2 ZINC000001191427 555675775 /nfs/dbraw/zinc/67/57/75/555675775.db2.gz RSQYXSPHLOXREG-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001194321 555676403 /nfs/dbraw/zinc/67/64/03/555676403.db2.gz IBHKSBYNHOJBRX-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc(OC)c1OC ZINC000001208782 555681616 /nfs/dbraw/zinc/68/16/16/555681616.db2.gz IHGMCIDOEAJYKW-UHFFFAOYSA-N 0 0 436.489 4.947 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 ZINC000001245833 555687542 /nfs/dbraw/zinc/68/75/42/555687542.db2.gz JXBXMLAOUDVQGB-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)O)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000001428395 555696121 /nfs/dbraw/zinc/69/61/21/555696121.db2.gz CMTCEBKMJZYUQD-GOSISDBHSA-N 0 0 432.520 4.565 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccccc1F ZINC000001439750 555697125 /nfs/dbraw/zinc/69/71/25/555697125.db2.gz OUMCKDZHTJKSCE-UHFFFAOYSA-N 0 0 432.517 4.687 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc(OC)cc1 ZINC000001439762 555697456 /nfs/dbraw/zinc/69/74/56/555697456.db2.gz RBHFXTNUGNXLCK-UHFFFAOYSA-N 0 0 444.553 4.557 50 0 IJAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OCC4CCCCC4)c(C)c3C(=O)C2)c1 ZINC000001440763 555697622 /nfs/dbraw/zinc/69/76/22/555697622.db2.gz NWGLNYVKNABOHM-QGZVFWFLSA-N 0 0 425.525 4.990 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1 ZINC000001444261 555698393 /nfs/dbraw/zinc/69/83/93/555698393.db2.gz XCYBYLZGQIBDSD-UHFFFAOYSA-N 0 0 430.464 4.867 50 0 IJAARN CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000001459948 555700510 /nfs/dbraw/zinc/70/05/10/555700510.db2.gz ADEKRSNZHGRTAP-INIZCTEOSA-N 0 0 435.351 4.698 50 0 IJAARN O=S(=O)(c1ccc(-c2cn3ccccc3n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000001480110 555701844 /nfs/dbraw/zinc/70/18/44/555701844.db2.gz GFJNGDVCARWAOH-UHFFFAOYSA-N 0 0 431.561 4.645 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750186 555712440 /nfs/dbraw/zinc/71/24/40/555712440.db2.gz CADZAXGAQLYYLR-CWTRNNRKSA-N 0 0 449.931 4.780 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750182 555712459 /nfs/dbraw/zinc/71/24/59/555712459.db2.gz CADZAXGAQLYYLR-BLVKFPJESA-N 0 0 449.931 4.780 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sccc31)CCCCC2 ZINC000001803365 555717206 /nfs/dbraw/zinc/71/72/06/555717206.db2.gz SCSOUIOXXDJUFH-UHFFFAOYSA-N 0 0 447.607 4.929 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)cc1Cl ZINC000071889612 555726082 /nfs/dbraw/zinc/72/60/82/555726082.db2.gz OYPXSTVSISVBSV-GOSISDBHSA-N 0 0 443.956 4.657 50 0 IJAARN CCCCOC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062951 555732800 /nfs/dbraw/zinc/73/28/00/555732800.db2.gz JHEQNBXYJAKOBB-CVQXOBEKSA-N 0 0 445.559 4.782 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)NCCO)C1 ZINC000002182379 555753911 /nfs/dbraw/zinc/75/39/11/555753911.db2.gz YHUNPXSDYSSZMR-CQSZACIVSA-N 0 0 434.989 4.527 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccccn2)cc1 ZINC000002201253 555757471 /nfs/dbraw/zinc/75/74/71/555757471.db2.gz UWURJLQICNTUPS-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000002209440 555758102 /nfs/dbraw/zinc/75/81/02/555758102.db2.gz XNUNIPQQMPDUHP-HSZRJFAPSA-N 0 0 427.456 4.556 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)n1-c1ccccc1 ZINC000002212954 555758707 /nfs/dbraw/zinc/75/87/07/555758707.db2.gz DZILVCMJOINUNZ-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccn2)cc1 ZINC000002231341 555760236 /nfs/dbraw/zinc/76/02/36/555760236.db2.gz NBPBOCMXUOGFCY-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccn2)cc1 ZINC000002240962 555761527 /nfs/dbraw/zinc/76/15/27/555761527.db2.gz FFFXRFYUIOFXFT-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(Br)cc3)cc21 ZINC000002291383 555765914 /nfs/dbraw/zinc/76/59/14/555765914.db2.gz GXDCGQYSVRTWPQ-UHFFFAOYSA-N 0 0 447.281 4.569 50 0 IJAARN CCc1nc2sc3c(c2c(SCC(=O)Nc2ccc(OC)cc2)n1)CC(C)(C)OC3 ZINC000002322560 555768654 /nfs/dbraw/zinc/76/86/54/555768654.db2.gz VOXSROXUWKXEGO-UHFFFAOYSA-N 0 0 443.594 4.844 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 ZINC000002330806 555769226 /nfs/dbraw/zinc/76/92/26/555769226.db2.gz GTWUBSMSWSVDIB-UHFFFAOYSA-N 0 0 434.521 4.538 50 0 IJAARN CCCCC(=O)NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000002329844 555769242 /nfs/dbraw/zinc/76/92/42/555769242.db2.gz SLFZFAJMXVCJTE-UHFFFAOYSA-N 0 0 433.331 4.656 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)c1 ZINC000002400107 555776108 /nfs/dbraw/zinc/77/61/08/555776108.db2.gz LFEFDEMJOBBSDK-HXUWFJFHSA-N 0 0 447.516 4.601 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2)N1c1nccs1 ZINC000002429026 555778077 /nfs/dbraw/zinc/77/80/77/555778077.db2.gz SMJNAJUGWAAPBR-MRXNPFEDSA-N 0 0 439.290 4.762 50 0 IJAARN COc1cc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc(OC)c1OC ZINC000002442900 555779687 /nfs/dbraw/zinc/77/96/87/555779687.db2.gz MTFLYONOCZOSAK-KRWDZBQOSA-N 0 0 443.503 4.643 50 0 IJAARN Cc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 ZINC000002443782 555780004 /nfs/dbraw/zinc/78/00/04/555780004.db2.gz YUQLAZKXJUHBQP-UHFFFAOYSA-N 0 0 431.521 4.975 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000002453810 555782362 /nfs/dbraw/zinc/78/23/62/555782362.db2.gz KMINSHWAWXIORA-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Brc1c2nc[nH]c2c(Br)c(Br)c1Br ZINC000002528524 555785879 /nfs/dbraw/zinc/78/58/79/555785879.db2.gz LOEIRDBRYBHAJB-UHFFFAOYSA-N 0 0 433.723 4.613 50 0 in-vivo IJAARN COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1 ZINC000034679904 555791072 /nfs/dbraw/zinc/79/10/72/555791072.db2.gz IZRLZZAWLRNMBV-UHFFFAOYSA-N 0 0 428.532 4.611 50 0 IJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000002734667 555805593 /nfs/dbraw/zinc/80/55/93/555805593.db2.gz HFWQCEHXYSLTJX-NRFANRHFSA-N 0 0 434.492 4.752 50 0 IJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc2cccc(OC)c2oc1=O ZINC000002768220 555814375 /nfs/dbraw/zinc/81/43/75/555814375.db2.gz BWLHKKZYJMWQHD-UHFFFAOYSA-N 0 0 441.486 4.631 50 0 IJAARN COc1ccc(CCNC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000002770339 555815286 /nfs/dbraw/zinc/81/52/86/555815286.db2.gz WUBYZZJIXXROHF-UHFFFAOYSA-N 0 0 436.462 4.623 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3cccnc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034683953 555819430 /nfs/dbraw/zinc/81/94/30/555819430.db2.gz FIPZEXIHRJIJOY-UHFFFAOYSA-N 0 0 435.593 4.558 50 0 IJAARN Cc1cccc(NC(=O)c2coc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 ZINC000034684394 555819872 /nfs/dbraw/zinc/81/98/72/555819872.db2.gz CLTZYCIWJATRAL-UHFFFAOYSA-N 0 0 444.457 4.576 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1 ZINC000034712841 555826124 /nfs/dbraw/zinc/82/61/24/555826124.db2.gz FTCFXWXGVZPECY-LJQANCHMSA-N 0 0 428.941 4.951 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1)N1CCOCC1 ZINC000034713350 555826396 /nfs/dbraw/zinc/82/63/96/555826396.db2.gz OXKVDEQESXSTRM-UHFFFAOYSA-N 0 0 432.904 4.654 50 0 IJAARN C[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002815733 555828735 /nfs/dbraw/zinc/82/87/35/555828735.db2.gz KWOJHQMNZFTJOV-LJQANCHMSA-N 0 0 442.581 4.640 50 0 IJAARN CC[C@@H](Sc1nnc(-c2ccc(NC(C)=O)cc2)n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002836665 555833163 /nfs/dbraw/zinc/83/31/63/555833163.db2.gz JZCKTCWOPMXDPR-GOSISDBHSA-N 0 0 443.960 4.603 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccncc1 ZINC000002837588 555833760 /nfs/dbraw/zinc/83/37/60/555833760.db2.gz CQLPZLSRLLKXAU-UHFFFAOYSA-N 0 0 446.374 4.552 50 0 IJAARN COc1cc(NC(=O)COc2c(C)cc(C)cc2Br)ccc1NC(=O)C(C)C ZINC000002840859 555835218 /nfs/dbraw/zinc/83/52/18/555835218.db2.gz PPEBZUJKCGCOOO-UHFFFAOYSA-N 0 0 449.345 4.687 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000002843769 555836728 /nfs/dbraw/zinc/83/67/28/555836728.db2.gz GHIDEXIYGWAURB-UHFFFAOYSA-N 0 0 426.563 4.794 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1ccc(C)cc1 ZINC000002849319 555838627 /nfs/dbraw/zinc/83/86/27/555838627.db2.gz ZYEWEFKJUQYOCX-UHFFFAOYSA-N 0 0 436.533 4.995 50 0 IJAARN CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000002853980 555840778 /nfs/dbraw/zinc/84/07/78/555840778.db2.gz BBOJZLBVQLKKFR-UHFFFAOYSA-N 0 0 439.562 4.807 50 0 IJAARN Cc1cc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)ccc1Br ZINC000002853670 555840784 /nfs/dbraw/zinc/84/07/84/555840784.db2.gz NVPQUMLCFMGUMN-UHFFFAOYSA-N 0 0 433.371 4.546 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002854980 555841074 /nfs/dbraw/zinc/84/10/74/555841074.db2.gz HFSWPNJHIPABEY-UHFFFAOYSA-N 0 0 439.002 4.636 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000002855410 555841079 /nfs/dbraw/zinc/84/10/79/555841079.db2.gz KLZUXQKRPBZWLZ-UHFFFAOYSA-N 0 0 442.625 4.994 50 0 IJAARN Cc1nn(CCCNC(=S)Nc2ccccc2C(F)(F)F)c(C)c1Br ZINC000002854946 555841134 /nfs/dbraw/zinc/84/11/34/555841134.db2.gz OQNUYELMZZBZRZ-UHFFFAOYSA-N 0 0 435.313 4.658 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)N[C@H](C)c3ccc(OC)cc3)cc2)cc1 ZINC000002857733 555842703 /nfs/dbraw/zinc/84/27/03/555842703.db2.gz HGFREVUVPSABKU-QZTJIDSGSA-N 0 0 432.520 4.686 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000002861087 555844488 /nfs/dbraw/zinc/84/44/88/555844488.db2.gz FBOWYMRGDVUBDV-UHFFFAOYSA-N 0 0 439.737 4.508 50 0 IJAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000002869390 555849026 /nfs/dbraw/zinc/84/90/26/555849026.db2.gz JCNCROJLINETOE-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN COc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000002874051 555851091 /nfs/dbraw/zinc/85/10/91/555851091.db2.gz KVDPAMGSRDECJH-INIZCTEOSA-N 0 0 431.315 4.535 50 0 IJAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000002879028 555853889 /nfs/dbraw/zinc/85/38/89/555853889.db2.gz PGWJUEDLWLCHNN-UHFFFAOYSA-N 0 0 432.904 4.874 50 0 IJAARN O=C(CSc1nnnn1-c1cccc2ccccc21)Nc1nc(-c2ccccc2)cs1 ZINC000002881760 555855899 /nfs/dbraw/zinc/85/58/99/555855899.db2.gz LDCFTFZKZPCDAN-UHFFFAOYSA-N 0 0 444.545 4.670 50 0 IJAARN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034714965 555864811 /nfs/dbraw/zinc/86/48/11/555864811.db2.gz KZSCJJVKLLJIJH-DNQXCXABSA-N 0 0 430.523 4.696 50 0 IJAARN O=C1Nc2ccc(S(=O)(=O)Oc3ccc(OCc4ccccc4)cc3)c3cccc1c23 ZINC000002954153 555866638 /nfs/dbraw/zinc/86/66/38/555866638.db2.gz FCGKVKWOMROIBH-UHFFFAOYSA-N 0 0 431.469 4.752 50 0 IJAARN CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000002979743 555871620 /nfs/dbraw/zinc/87/16/20/555871620.db2.gz QSFOKOPQGASCBE-CIMKDXRFSA-N 0 0 429.428 4.907 50 0 IJAARN CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000034737382 555888270 /nfs/dbraw/zinc/88/82/70/555888270.db2.gz OYXZPERWNFVALH-UHFFFAOYSA-N 0 0 434.462 4.988 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc3cccnc32)S(=O)(=O)c2ccccc2)cc1C ZINC000003145016 555891616 /nfs/dbraw/zinc/89/16/16/555891616.db2.gz UMXSWBXAGHKTJB-UHFFFAOYSA-N 0 0 445.544 4.686 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(Cc2ccco2)CC3)CC1 ZINC000034755589 555900464 /nfs/dbraw/zinc/90/04/64/555900464.db2.gz RDYUUYIAKPWEGZ-UHFFFAOYSA-N 0 0 440.494 4.935 50 0 IJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000003225376 555903230 /nfs/dbraw/zinc/90/32/30/555903230.db2.gz KBRZEPVXBLXYAF-UHFFFAOYSA-N 0 0 447.534 4.931 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)c2cccs2)CC1 ZINC000034813033 555909727 /nfs/dbraw/zinc/90/97/27/555909727.db2.gz RWPBDBHMBLFNFA-UHFFFAOYSA-N 0 0 433.533 4.707 50 0 IJAARN O=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000034831078 555912344 /nfs/dbraw/zinc/91/23/44/555912344.db2.gz WFEZFPFPAVVUNA-UHFFFAOYSA-N 0 0 448.929 4.752 50 0 IJAARN COc1ccc(-c2n[nH]c(C3CCOCC3)c2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000034794006 555917168 /nfs/dbraw/zinc/91/71/68/555917168.db2.gz UZDGIRVUUFGTEC-UHFFFAOYSA-N 0 0 441.915 4.894 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000003363415 555926988 /nfs/dbraw/zinc/92/69/88/555926988.db2.gz OXJQTENGXPDBOL-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN CCCN(Cc1cc(NC(=O)COc2ccccc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921634 555932016 /nfs/dbraw/zinc/93/20/16/555932016.db2.gz WDTSCMJMTMZDBA-UHFFFAOYSA-N 0 0 439.600 4.945 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000004019101 555953165 /nfs/dbraw/zinc/95/31/65/555953165.db2.gz QWMOGBCJEZXUKA-OEPMTFCVSA-N 0 0 448.420 4.988 50 0 IJAARN O=C(COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000004179263 555974284 /nfs/dbraw/zinc/97/42/84/555974284.db2.gz CMCWEFUSUQTTGL-SEONNTABSA-N 0 0 441.321 4.720 50 0 IJAARN CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004395053 555992782 /nfs/dbraw/zinc/99/27/82/555992782.db2.gz LTNJGBXQUGXHQY-UHFFFAOYSA-N 0 0 425.529 4.787 50 0 IJAARN COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)c(O)c1OC ZINC000006458953 556089284 /nfs/dbraw/zinc/08/92/84/556089284.db2.gz RLXFZQSLFLRMMS-UHFFFAOYSA-N 0 0 430.386 4.671 50 0 IJAARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000006461683 556090099 /nfs/dbraw/zinc/09/00/99/556090099.db2.gz TUXITTJAXFHJRU-XMMPIXPASA-N 0 0 444.487 4.729 50 0 IJAARN CCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002682870 556118791 /nfs/dbraw/zinc/11/87/91/556118791.db2.gz AFONVDKZCHQNQF-NSHDSACASA-N 0 0 437.607 4.892 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(C(=O)c1ccc(Cl)cc1)c2=O ZINC000002691843 556120253 /nfs/dbraw/zinc/12/02/53/556120253.db2.gz OCXKXIWCTPLKGD-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(C(=O)c1ccc(C)c(C)c1)c2=O ZINC000002690528 556121702 /nfs/dbraw/zinc/12/17/02/556121702.db2.gz RZBKJQVEZKZUQT-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002704181 556123252 /nfs/dbraw/zinc/12/32/52/556123252.db2.gz QYIFVQFPOJYERN-HSZRJFAPSA-N 0 0 445.446 4.700 50 0 IJAARN COc1cc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2cc1OC ZINC000002713702 556129408 /nfs/dbraw/zinc/12/94/08/556129408.db2.gz MPVUUUMRUUTMHO-UHFFFAOYSA-N 0 0 447.512 4.624 50 0 IJAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)cc1OC ZINC000002724637 556133296 /nfs/dbraw/zinc/13/32/96/556133296.db2.gz VSVKIAKCKMIGGH-HSZRJFAPSA-N 0 0 436.895 4.541 50 0 IJAARN Cc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(Br)ccc3n2)c1 ZINC000002730205 556134306 /nfs/dbraw/zinc/13/43/06/556134306.db2.gz DBLXEJGHOQJRFJ-QGZVFWFLSA-N 0 0 425.326 4.882 50 0 IJAARN O=C(CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1)NCc1ccccc1 ZINC000002785734 556138563 /nfs/dbraw/zinc/13/85/63/556138563.db2.gz UVWVFLIVMFBTKL-XSFVSMFZSA-N 0 0 439.606 4.670 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3cccs3)C(=O)N2CC(C)C)c1 ZINC000002785914 556138618 /nfs/dbraw/zinc/13/86/18/556138618.db2.gz JHOFJBFZRIUXPL-YBFXNURJSA-N 0 0 427.595 4.932 50 0 IJAARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=S)NC[C@H]1CCCO1 ZINC000002809046 556146985 /nfs/dbraw/zinc/14/69/85/556146985.db2.gz TYJNYZDHJDWXRV-JOCHJYFZSA-N 0 0 436.581 4.806 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 ZINC000003008823 556154985 /nfs/dbraw/zinc/15/49/85/556154985.db2.gz CLFSKXUZKOEMOB-UHFFFAOYSA-N 0 0 443.956 4.504 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1cccc(C)c1)CC2 ZINC000003006554 556156730 /nfs/dbraw/zinc/15/67/30/556156730.db2.gz YWTHFGIMDXJZQS-QHCPKHFHSA-N 0 0 435.495 4.970 50 0 IJAARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3nnn(-c3ccccc3)c2=O)cc1 ZINC000008386854 556162431 /nfs/dbraw/zinc/16/24/31/556162431.db2.gz LHGSSIPMIXPGIL-UHFFFAOYSA-N 0 0 442.500 4.577 50 0 IJAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000008400467 556166267 /nfs/dbraw/zinc/16/62/67/556166267.db2.gz QEHUTJISNCCAGU-RDJZCZTQSA-N 0 0 435.837 4.522 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1C ZINC000008426267 556168791 /nfs/dbraw/zinc/16/87/91/556168791.db2.gz TZTCYUFFWMCVPR-IWIPYMOSSA-N 0 0 442.540 4.743 50 0 IJAARN CSc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000008433396 556172785 /nfs/dbraw/zinc/17/27/85/556172785.db2.gz JDZNDJYRPGTQAF-NRFANRHFSA-N 0 0 438.574 4.802 50 0 IJAARN O=c1/c(=C\c2cccs2)sc2n1[C@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000008441934 556177173 /nfs/dbraw/zinc/17/71/73/556177173.db2.gz GLAIUMPUYUSBGA-XOYGFPHKSA-N 0 0 444.556 4.519 50 0 IJAARN O=c1/c(=C\c2cccs2)sc2n1[C@@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000008441936 556177182 /nfs/dbraw/zinc/17/71/82/556177182.db2.gz GLAIUMPUYUSBGA-YJADQXIJSA-N 0 0 444.556 4.519 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000008444564 556179021 /nfs/dbraw/zinc/17/90/21/556179021.db2.gz ZCGFQXVEVHXCJB-UXEPBGEESA-N 0 0 436.459 4.911 50 0 IJAARN O=C(Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000008450008 556181238 /nfs/dbraw/zinc/18/12/38/556181238.db2.gz WKKUFXUKJXXSAZ-ALICBKBLSA-N 0 0 430.287 4.748 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc(OC)c1OC ZINC000008590484 556188634 /nfs/dbraw/zinc/18/86/34/556188634.db2.gz USSUSGKRFOTQER-UHFFFAOYSA-N 0 0 439.855 4.821 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000008594183 556189662 /nfs/dbraw/zinc/18/96/62/556189662.db2.gz HVYXGUTYGSTPIC-GOSISDBHSA-N 0 0 433.504 4.712 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)c1 ZINC000008594958 556190203 /nfs/dbraw/zinc/19/02/03/556190203.db2.gz ZWJXLRSMROYALF-SANMLTNESA-N 0 0 444.556 4.792 50 0 IJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008614951 556192166 /nfs/dbraw/zinc/19/21/66/556192166.db2.gz LGEDLXVPITWIJC-UHFFFAOYSA-N 0 0 427.863 4.848 50 0 aggregator IJAARN CCCCOc1ccc(C(=O)N/C(=C\c2ccc(OC)cc2)C(=O)OCc2ccco2)cc1 ZINC000008687552 556200274 /nfs/dbraw/zinc/20/02/74/556200274.db2.gz JMMUTGXDYHSTBB-ULJHMMPZSA-N 0 0 449.503 4.981 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 ZINC000008748461 556210333 /nfs/dbraw/zinc/21/03/33/556210333.db2.gz QIXJQPXJUOAERD-UHFFFAOYSA-N 0 0 428.945 4.799 50 0 IJAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1Cl ZINC000008801750 556216440 /nfs/dbraw/zinc/21/64/40/556216440.db2.gz QHHAGKKNDWKSAB-HXUWFJFHSA-N 0 0 437.883 4.676 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000008827393 556224598 /nfs/dbraw/zinc/22/45/98/556224598.db2.gz DCJJTFMJVAZLOX-SFHVURJKSA-N 0 0 437.908 4.919 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1C ZINC000009199437 556257085 /nfs/dbraw/zinc/25/70/85/556257085.db2.gz TVEUZTCXWHCEPC-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN CSc1ccc(CNC(=O)CSc2nnc(C)c3c(C)n(-c4ccccc4)nc32)cc1 ZINC000009224499 556257998 /nfs/dbraw/zinc/25/79/98/556257998.db2.gz AVYGXKDXAACWBJ-UHFFFAOYSA-N 0 0 449.605 4.563 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(F)c(Cl)c1 ZINC000009225558 556259230 /nfs/dbraw/zinc/25/92/30/556259230.db2.gz GQARUXQNBPPNPI-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000009225792 556259769 /nfs/dbraw/zinc/25/97/69/556259769.db2.gz FVEXQCZUUHVQOG-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225743 556259858 /nfs/dbraw/zinc/25/98/58/556259858.db2.gz DICZTTVXQVZYQB-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239587 556266124 /nfs/dbraw/zinc/26/61/24/556266124.db2.gz YLLZWUCKHBEVRG-VXKWHMMOSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239621 556266373 /nfs/dbraw/zinc/26/63/73/556266373.db2.gz KZXHVGWJMLBBRF-YADHBBJMSA-N 0 0 435.597 4.808 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1C[C@@H](O)c1ccccc1 ZINC000009292236 556274251 /nfs/dbraw/zinc/27/42/51/556274251.db2.gz DZBDHUSWYFYFIV-DENIHFKCSA-N 0 0 431.875 4.725 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009294973 556274260 /nfs/dbraw/zinc/27/42/60/556274260.db2.gz FUQOUMUBGSTDII-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000009295093 556274633 /nfs/dbraw/zinc/27/46/33/556274633.db2.gz UUYXOBVSMSUVQO-FCHUYYIVSA-N 0 0 435.597 4.753 50 0 IJAARN COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)ccc1C ZINC000009304825 556276604 /nfs/dbraw/zinc/27/66/04/556276604.db2.gz SDPKAJZZZDBWFS-XMMPIXPASA-N 0 0 443.572 4.881 50 0 IJAARN Cc1nc(C)c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)s1 ZINC000013687981 556277826 /nfs/dbraw/zinc/27/78/26/556277826.db2.gz LTQCQNBUJOVNDP-UHFFFAOYSA-N 0 0 427.520 4.586 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000009309146 556278245 /nfs/dbraw/zinc/27/82/45/556278245.db2.gz CZFARWASNCDPEO-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000009310024 556278887 /nfs/dbraw/zinc/27/88/87/556278887.db2.gz JFOORLYIFZDHGL-QHCPKHFHSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3cccc(N(C)C)c3)nn12 ZINC000013691395 556280604 /nfs/dbraw/zinc/28/06/04/556280604.db2.gz IEOZQBPHMRNQHV-UHFFFAOYSA-N 0 0 443.580 4.507 50 0 IJAARN CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1[C@H](C)Oc1ccccc1 ZINC000009329019 556282260 /nfs/dbraw/zinc/28/22/60/556282260.db2.gz QEXWUJJEVANQTF-DZGCQCFKSA-N 0 0 431.587 4.631 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009327935 556282415 /nfs/dbraw/zinc/28/24/15/556282415.db2.gz JWENRGFOPABXAZ-UHFFFAOYSA-N 0 0 425.529 4.870 50 0 IJAARN COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013693260 556282549 /nfs/dbraw/zinc/28/25/49/556282549.db2.gz CDZYHQNXLNMSOL-UHFFFAOYSA-N 0 0 434.323 4.906 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000009403096 556287825 /nfs/dbraw/zinc/28/78/25/556287825.db2.gz BUQHNOGFPYRKFG-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1C(=O)c1ccccc1 ZINC000009436325 556291856 /nfs/dbraw/zinc/29/18/56/556291856.db2.gz UHHQOTYDJYFTSJ-UHFFFAOYSA-N 0 0 430.435 4.867 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC(C)C)c1S(=O)(=O)c1ccc(F)cc1 ZINC000013731284 556295852 /nfs/dbraw/zinc/29/58/52/556295852.db2.gz KRUAFYKFIOLFOG-UHFFFAOYSA-N 0 0 432.517 4.703 50 0 IJAARN COc1ccccc1C(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C(C)C ZINC000013732970 556296444 /nfs/dbraw/zinc/29/64/44/556296444.db2.gz FEXNYRADOSAGFR-UHFFFAOYSA-N 0 0 426.538 4.780 50 0 IJAARN COc1ccc2c(c1)CCc1cc(C(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)sc1-2 ZINC000032739411 556299734 /nfs/dbraw/zinc/29/97/34/556299734.db2.gz PZTZUFJZAACGDW-INIZCTEOSA-N 0 0 444.560 4.936 50 0 IJAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n(C[C@H]2CCCO2)c1C ZINC000032739682 556300026 /nfs/dbraw/zinc/30/00/26/556300026.db2.gz GKPYINRDYDNTKC-VGOFRKELSA-N 0 0 427.614 4.527 50 0 IJAARN CNC(=O)c1ccc(N2C(=O)C(=O)C(c3ccc4ccccc4n3)[C@@H]2c2cccs2)cc1 ZINC000032736078 556306084 /nfs/dbraw/zinc/30/60/84/556306084.db2.gz NIGFCBBLRKOLQQ-QFIPXVFZSA-N 0 0 441.512 4.713 50 0 IJAARN O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccccc1O ZINC000013773902 556306366 /nfs/dbraw/zinc/30/63/66/556306366.db2.gz PCKSTGWZNXEVKY-FMIVXFBMSA-N 0 0 435.277 4.730 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)c1 ZINC000013776982 556307594 /nfs/dbraw/zinc/30/75/94/556307594.db2.gz RGHOAJZPGMDXBD-VHXPQNKSSA-N 0 0 435.574 4.689 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCCc2ccc(Cl)cc2)c1C ZINC000009830263 556310340 /nfs/dbraw/zinc/31/03/40/556310340.db2.gz FUWFKPNDBMAXIS-UHFFFAOYSA-N 0 0 438.955 4.961 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2cc(OC)ccc2OC)c1C ZINC000009830244 556310425 /nfs/dbraw/zinc/31/04/25/556310425.db2.gz UUEYLASXRUVOGM-UHFFFAOYSA-N 0 0 436.508 4.605 50 0 IJAARN COc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc(OC)c1OC ZINC000013805768 556311144 /nfs/dbraw/zinc/31/11/44/556311144.db2.gz AZMYLCISHXMSSC-UHFFFAOYSA-N 0 0 440.308 4.790 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)ccc1OCc1ccccc1 ZINC000013811511 556312505 /nfs/dbraw/zinc/31/25/05/556312505.db2.gz PRUBRJRBDVUCEN-QHCPKHFHSA-N 0 0 427.456 4.556 50 0 IJAARN CCOc1cc(CN(C(=O)c2cncc(Br)c2)C2CC2)ccc1OC(F)F ZINC000032744948 556314154 /nfs/dbraw/zinc/31/41/54/556314154.db2.gz KDFVAWDCIVRRTR-UHFFFAOYSA-N 0 0 441.272 4.649 50 0 IJAARN COc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000013828259 556316324 /nfs/dbraw/zinc/31/63/24/556316324.db2.gz JMRJZVBFCWNTJZ-UHFFFAOYSA-N 0 0 435.568 4.753 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000009907119 556316346 /nfs/dbraw/zinc/31/63/46/556316346.db2.gz VMDBZMBEEMMNMJ-GOSISDBHSA-N 0 0 430.295 4.521 50 0 IJAARN CN(Cc1ccsc1)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000032748208 556316816 /nfs/dbraw/zinc/31/68/16/556316816.db2.gz VKZCCHNXFWPSTR-UHFFFAOYSA-N 0 0 438.933 4.614 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(I)c(C)n1 ZINC000013839321 556317590 /nfs/dbraw/zinc/31/75/90/556317590.db2.gz OXOAKBMAMAEJDM-UHFFFAOYSA-N 0 0 437.064 4.562 50 0 IJAARN CCOc1ccc(NC(=O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009972199 556319502 /nfs/dbraw/zinc/31/95/02/556319502.db2.gz AZEDYUSRDWKTJM-UHFFFAOYSA-N 0 0 444.575 4.672 50 0 IJAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000010010202 556322001 /nfs/dbraw/zinc/32/20/01/556322001.db2.gz KHHDWLOAITXBJP-UHFFFAOYSA-N 0 0 427.917 4.638 50 0 IJAARN CCOC(=O)[C@H](NC(=O)c1ccccc1)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000032753617 556322924 /nfs/dbraw/zinc/32/29/24/556322924.db2.gz OETSBLQRRKULDO-HXUWFJFHSA-N 0 0 445.441 4.542 50 0 IJAARN Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1ccc(Cl)cc1 ZINC000010059672 556324013 /nfs/dbraw/zinc/32/40/13/556324013.db2.gz RJOOFVMJSUPQQT-QGZVFWFLSA-N 0 0 434.714 4.952 50 0 IJAARN Cc1cccc(-n2c(SCCn3c4ccccc4oc3=O)nc3ccccc3c2=O)c1C ZINC000032777033 556327595 /nfs/dbraw/zinc/32/75/95/556327595.db2.gz IBYYBEVGDKAZEG-UHFFFAOYSA-N 0 0 443.528 4.703 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000010231091 556327853 /nfs/dbraw/zinc/32/78/53/556327853.db2.gz UFEJJXBLAFHPDX-CYBMUJFWSA-N 0 0 433.940 4.908 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000010231090 556327924 /nfs/dbraw/zinc/32/79/24/556327924.db2.gz UFEJJXBLAFHPDX-ZDUSSCGKSA-N 0 0 433.940 4.908 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000010273876 556329050 /nfs/dbraw/zinc/32/90/50/556329050.db2.gz IPQQEGPMGLOYSF-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1=O ZINC000010462087 556335594 /nfs/dbraw/zinc/33/55/94/556335594.db2.gz SXAGUFPCCRFUIM-OAHLLOKOSA-N 0 0 448.350 4.833 50 0 IJAARN CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCCc3ccccc3)s2)CC1=O ZINC000013944472 556341647 /nfs/dbraw/zinc/34/16/47/556341647.db2.gz YRDDZIDHKXNREG-IBGZPJMESA-N 0 0 434.565 4.582 50 0 IJAARN O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000011617318 556342638 /nfs/dbraw/zinc/34/26/38/556342638.db2.gz SYGPJJSKEJNNRJ-UHFFFAOYSA-N 0 0 425.120 4.801 50 0 IJAARN CC(C)CC(=O)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011662210 556343571 /nfs/dbraw/zinc/34/35/71/556343571.db2.gz ZQPYJCUELILNNE-FQEVSTJZSA-N 0 0 431.536 4.627 50 0 IJAARN CN(C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000032780699 556346066 /nfs/dbraw/zinc/34/60/66/556346066.db2.gz YZIOPESYWRWWTL-INIZCTEOSA-N 0 0 444.405 4.545 50 0 IJAARN CSc1ccc(C[C@]2(CCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)CCC(=O)N2)cc1 ZINC000011783490 556351714 /nfs/dbraw/zinc/35/17/14/556351714.db2.gz YDONSPGXORCKAN-NBGIEHNGSA-N 0 0 440.584 4.535 50 0 IJAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)c2ccc4ccccc4c2)C3)n1 ZINC000011784184 556352489 /nfs/dbraw/zinc/35/24/89/556352489.db2.gz NUSKDZBMPMJXCH-FQEVSTJZSA-N 0 0 427.479 4.786 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000011813739 556357331 /nfs/dbraw/zinc/35/73/31/556357331.db2.gz XXCVVYOOZYWQBF-ZJSXRUAMSA-N 0 0 428.935 4.814 50 0 IJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc12 ZINC000014066757 556359265 /nfs/dbraw/zinc/35/92/65/556359265.db2.gz TVWRNPIILNONQQ-SFHVURJKSA-N 0 0 425.554 4.811 50 0 IJAARN COc1ccc([C@H](NC(=O)COc2cccc(Br)c2)c2ccccc2)cc1 ZINC000014071392 556361169 /nfs/dbraw/zinc/36/11/69/556361169.db2.gz KABUPTZNLONZGJ-JOCHJYFZSA-N 0 0 426.310 4.742 50 0 IJAARN COc1cccc(OCCNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c1 ZINC000032797083 556362840 /nfs/dbraw/zinc/36/28/40/556362840.db2.gz SJVXZWJNFYPPGI-UHFFFAOYSA-N 0 0 429.476 4.529 50 0 IJAARN CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](C/C(C)=C/c2ccccc2)CC1)c1ccccc1 ZINC000011838386 556363352 /nfs/dbraw/zinc/36/33/52/556363352.db2.gz YPMRAJXRPLBKNT-WGHVAGTHSA-N 0 0 444.579 4.950 50 0 IJAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC(CCc2ccccc2)CC1 ZINC000011841848 556365471 /nfs/dbraw/zinc/36/54/71/556365471.db2.gz AXOVOENKJVDISA-UHFFFAOYSA-N 0 0 426.923 4.604 50 0 IJAARN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011841952 556365491 /nfs/dbraw/zinc/36/54/91/556365491.db2.gz NQCVSIQXIJPTSU-GOSISDBHSA-N 0 0 433.462 4.560 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000014095129 556366859 /nfs/dbraw/zinc/36/68/59/556366859.db2.gz PJJJDIWNLHFRFL-UHFFFAOYSA-N 0 0 432.284 4.623 50 0 IJAARN CCc1cccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 ZINC000014095368 556367131 /nfs/dbraw/zinc/36/71/31/556367131.db2.gz PGRGXMDWGFFMOS-UHFFFAOYSA-N 0 0 425.532 4.773 50 0 IJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000014109566 556369078 /nfs/dbraw/zinc/36/90/78/556369078.db2.gz ZDTZXVRFTXRXFE-HNNXBMFYSA-N 0 0 441.984 4.834 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000014121961 556372315 /nfs/dbraw/zinc/37/23/15/556372315.db2.gz RKNFEXHZFRKXBA-UHFFFAOYSA-N 0 0 442.519 4.915 50 0 IJAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@H](C)c3ccccc3)CCC(=O)N2)c2ccccc12 ZINC000011881101 556372917 /nfs/dbraw/zinc/37/29/17/556372917.db2.gz ZKOVVMMZQHXEBU-WTYVLRPYSA-N 0 0 444.575 4.740 50 0 IJAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032573803 556374033 /nfs/dbraw/zinc/37/40/33/556374033.db2.gz CYSUJMROIZCDLR-GOSISDBHSA-N 0 0 443.569 4.734 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000014137189 556375526 /nfs/dbraw/zinc/37/55/26/556375526.db2.gz VXSJFAAUWPGGHN-UHFFFAOYSA-N 0 0 428.536 4.762 50 0 IJAARN CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000014137676 556375783 /nfs/dbraw/zinc/37/57/83/556375783.db2.gz LRRXZCMZBSUHBE-UHFFFAOYSA-N 0 0 441.325 4.869 50 0 IJAARN CSc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000011913710 556376239 /nfs/dbraw/zinc/37/62/39/556376239.db2.gz VTIMUBGNIHPXIR-VGOFRKELSA-N 0 0 435.545 4.856 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CC=C(c2ccccc2)CC1 ZINC000014157382 556377977 /nfs/dbraw/zinc/37/79/77/556377977.db2.gz AEFRRALTWYAVTI-UHFFFAOYSA-N 0 0 434.540 4.827 50 0 IJAARN CSc1ccccc1OCc1cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)no1 ZINC000011937777 556379417 /nfs/dbraw/zinc/37/94/17/556379417.db2.gz YNTWWPVZERXGLW-LJQANCHMSA-N 0 0 437.565 4.998 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000014182226 556382749 /nfs/dbraw/zinc/38/27/49/556382749.db2.gz LUJSODRNGNKWTB-UHFFFAOYSA-N 0 0 443.297 4.575 50 0 IJAARN Cc1cccc2c1ncn(CC(=O)N[C@H](CCCc1ccccc1)c1ccccc1)c2=O ZINC000014183382 556383496 /nfs/dbraw/zinc/38/34/96/556383496.db2.gz DSXRYDBNRUYHFE-XMMPIXPASA-N 0 0 425.532 4.585 50 0 IJAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000014189779 556387292 /nfs/dbraw/zinc/38/72/92/556387292.db2.gz MUNACASYBPQNEE-QHCPKHFHSA-N 0 0 441.453 4.629 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(OC)c1 ZINC000014200698 556391421 /nfs/dbraw/zinc/39/14/21/556391421.db2.gz YFYHFRNPLJQWRE-UHFFFAOYSA-N 0 0 429.476 4.693 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccc(C)cc1 ZINC000032818810 556393871 /nfs/dbraw/zinc/39/38/71/556393871.db2.gz RFHQWQIPTCYGGK-JOCHJYFZSA-N 0 0 441.491 4.783 50 0 IJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000014237901 556399967 /nfs/dbraw/zinc/39/99/67/556399967.db2.gz YPTMEUCKABHYHI-UHFFFAOYSA-N 0 0 426.495 4.937 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)C[C@](O)(c3ccccc3)C(F)(F)F)cc2)cs1 ZINC000014241771 556402318 /nfs/dbraw/zinc/40/23/18/556402318.db2.gz QEEKXPUEXWREEL-NRFANRHFSA-N 0 0 434.483 4.617 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCSc3ccccc32)ccc1Cl ZINC000014244119 556403791 /nfs/dbraw/zinc/40/37/91/556403791.db2.gz KQLZZRALBTUZET-UHFFFAOYSA-N 0 0 439.002 4.513 50 0 IJAARN CC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000032578480 556405125 /nfs/dbraw/zinc/40/51/25/556405125.db2.gz UHOUJVOFDHDUJA-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN COc1ccccc1OCCC(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000014245424 556405181 /nfs/dbraw/zinc/40/51/81/556405181.db2.gz YIEBWRKRQMEZDJ-VWLOTQADSA-N 0 0 438.451 4.954 50 0 IJAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000014245488 556405252 /nfs/dbraw/zinc/40/52/52/556405252.db2.gz HRAJHXXOJNMRKJ-CQSZACIVSA-N 0 0 429.542 4.572 50 0 IJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3cc(F)ccc3F)n2)cc1 ZINC000032579118 556406400 /nfs/dbraw/zinc/40/64/00/556406400.db2.gz SFOMGRRONWVXRL-UHFFFAOYSA-N 0 0 435.430 4.832 50 0 IJAARN Cc1ccc(OC[C@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000014247284 556407069 /nfs/dbraw/zinc/40/70/69/556407069.db2.gz BTZAIWATBOSCNA-ZDUSSCGKSA-N 0 0 431.867 4.550 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(OC)c2)N(Cc2ccccc2)C3=O)cc1 ZINC000032594201 556407755 /nfs/dbraw/zinc/40/77/55/556407755.db2.gz VFFHDBQZOGNIOO-RUZDIDTESA-N 0 0 441.487 4.545 50 0 IJAARN O=C(Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21)c1ccc(Cl)cc1 ZINC000032597591 556407964 /nfs/dbraw/zinc/40/79/64/556407964.db2.gz IDPAFACLHAHOLN-SCLBCKFNSA-N 0 0 429.950 4.692 50 0 IJAARN O=C(NC1CCCC1)c1cc(NC2CCCCC2)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000014542915 556426447 /nfs/dbraw/zinc/42/64/47/556426447.db2.gz KPMSVCPRYUQBLV-UHFFFAOYSA-N 0 0 441.597 4.904 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccccc2)n1 ZINC000012989049 556428218 /nfs/dbraw/zinc/42/82/18/556428218.db2.gz POEDGJOLPJVXHZ-UHFFFAOYSA-N 0 0 433.455 4.930 50 0 IJAARN COc1ccc(CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)c(OC)c1OC ZINC000012994080 556429768 /nfs/dbraw/zinc/42/97/68/556429768.db2.gz FBNSFUNEWZIWPK-UHFFFAOYSA-N 0 0 437.521 4.807 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCn1c2ccccc2n(CC)c1=O ZINC000014701992 556433634 /nfs/dbraw/zinc/43/36/34/556433634.db2.gz HJUAPUUFTAXYNH-UHFFFAOYSA-N 0 0 435.446 4.659 50 0 IJAARN CCN1C[C@@H](CN(C)C(=O)c2cc(-c3cccs3)nc3onc(C)c32)Oc2ccccc21 ZINC000032856138 556433642 /nfs/dbraw/zinc/43/36/42/556433642.db2.gz KFYMPXYEGIUFIG-MRXNPFEDSA-N 0 0 448.548 4.619 50 0 IJAARN FC(F)(F)c1cc(Cl)c2nnc(SCCCc3nc(-c4ccncc4)no3)n2c1 ZINC000014729473 556436440 /nfs/dbraw/zinc/43/64/40/556436440.db2.gz IVZCSILJKVXZRX-UHFFFAOYSA-N 0 0 440.838 4.571 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5C[C@H]4C)c(=O)c23)cc1C ZINC000013014063 556436682 /nfs/dbraw/zinc/43/66/82/556436682.db2.gz QPPYHMWYOMUBKW-QGZVFWFLSA-N 0 0 429.545 4.720 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013017625 556438655 /nfs/dbraw/zinc/43/86/55/556438655.db2.gz HZQXPWPHBJYMSA-QHCPKHFHSA-N 0 0 435.907 4.945 50 0 IJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(Br)ccc3o2)o1 ZINC000027989583 556439749 /nfs/dbraw/zinc/43/97/49/556439749.db2.gz VFFOOXREBJRXPO-UHFFFAOYSA-N 0 0 442.265 4.893 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000013028583 556441601 /nfs/dbraw/zinc/44/16/01/556441601.db2.gz BTLZEQCYMQAFDT-LPHOPBHVSA-N 0 0 439.562 4.757 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000011027008 556441626 /nfs/dbraw/zinc/44/16/26/556441626.db2.gz ZDBCVGHLQHECTK-UHFFFAOYSA-N 0 0 443.912 4.785 50 0 IJAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)sc2c1 ZINC000013040847 556446563 /nfs/dbraw/zinc/44/65/63/556446563.db2.gz JELXZWFNYYGJKK-SFHVURJKSA-N 0 0 449.576 4.629 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000013041397 556447586 /nfs/dbraw/zinc/44/75/86/556447586.db2.gz BTOLFGLASBZMBN-QHCPKHFHSA-N 0 0 443.952 4.972 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1OC ZINC000028287260 556447916 /nfs/dbraw/zinc/44/79/16/556447916.db2.gz QUZGHVBGODCSJL-UHFFFAOYSA-N 0 0 427.526 4.637 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014857137 556450690 /nfs/dbraw/zinc/45/06/90/556450690.db2.gz FJCFJJVJQWGGLV-UHFFFAOYSA-N 0 0 427.907 4.695 50 0 IJAARN CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(Br)ccc4c3C)cc21 ZINC000028404396 556453779 /nfs/dbraw/zinc/45/37/79/556453779.db2.gz CZLMJVRGUGUPRC-UHFFFAOYSA-N 0 0 429.270 4.501 50 0 IJAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000013073011 556454390 /nfs/dbraw/zinc/45/43/90/556454390.db2.gz BHVIZZULIVQIFV-OAHLLOKOSA-N 0 0 428.579 4.906 50 0 IJAARN COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2ccccc2OC)c1 ZINC000013075388 556455332 /nfs/dbraw/zinc/45/53/32/556455332.db2.gz CKAQHUGAKCMDQA-UHFFFAOYSA-N 0 0 427.504 4.795 50 0 IJAARN CCCCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013075842 556455676 /nfs/dbraw/zinc/45/56/76/556455676.db2.gz ZTXMRVNZFYXPLT-UHFFFAOYSA-N 0 0 445.445 4.761 50 0 IJAARN CC[C@H](NC(=O)Nc1ccnn1CC(C)C)c1noc(-c2cccc(Br)c2)n1 ZINC000072277755 556458074 /nfs/dbraw/zinc/45/80/74/556458074.db2.gz ZAFDNBRDQBVYEE-HNNXBMFYSA-N 0 0 447.337 4.624 50 0 IJAARN COC(=O)c1ccc(OCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000013101663 556460725 /nfs/dbraw/zinc/46/07/25/556460725.db2.gz GQZPHFQAMZNXMV-UHFFFAOYSA-N 0 0 441.487 4.652 50 0 IJAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000014954100 556461500 /nfs/dbraw/zinc/46/15/00/556461500.db2.gz DIAPDPYSMOMLII-UHFFFAOYSA-N 0 0 440.540 4.514 50 0 IJAARN Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)no1 ZINC000014956746 556462318 /nfs/dbraw/zinc/46/23/18/556462318.db2.gz AGFBUZZYRGCGPJ-FQEVSTJZSA-N 0 0 439.519 4.830 50 0 IJAARN CSc1nnc(CN(C)Cc2ccc(-c3ccccc3Cl)o2)n1C[C@@H]1CCCO1 ZINC000014957427 556462805 /nfs/dbraw/zinc/46/28/05/556462805.db2.gz WWYCVDXNCGHMBS-HNNXBMFYSA-N 0 0 432.977 4.724 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)n3C)n(-c3ccccc3)n2)cc1 ZINC000013110030 556463922 /nfs/dbraw/zinc/46/39/22/556463922.db2.gz SVEKVFYCLGRMPS-UHFFFAOYSA-N 0 0 444.564 4.584 50 0 IJAARN CC(=O)N(c1nc([C@@H]2Nc3c(sc4nc(C)cc(C)c43)C(=O)N2)cs1)c1ccccc1 ZINC000028923140 556464057 /nfs/dbraw/zinc/46/40/57/556464057.db2.gz KNHYYNWEFVSLBP-LJQANCHMSA-N 0 0 449.561 4.908 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000013112189 556464562 /nfs/dbraw/zinc/46/45/62/556464562.db2.gz JAWNLVHHBIZHPC-UHFFFAOYSA-N 0 0 438.622 4.915 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000013112223 556464569 /nfs/dbraw/zinc/46/45/69/556464569.db2.gz GRIVARJTHZRMIL-UHFFFAOYSA-N 0 0 428.352 4.549 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1cnc(CN2CCCC2)s1 ZINC000014969172 556466474 /nfs/dbraw/zinc/46/64/74/556466474.db2.gz CYURLUQYYWVDCR-IBGZPJMESA-N 0 0 449.624 4.677 50 0 IJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C1=O ZINC000013117667 556470520 /nfs/dbraw/zinc/47/05/20/556470520.db2.gz ZNUXNDFKSVXGTH-QHCPKHFHSA-N 0 0 432.867 4.510 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000029264549 556471280 /nfs/dbraw/zinc/47/12/80/556471280.db2.gz DTYPGRZJWYVASR-XMMPIXPASA-N 0 0 440.499 4.629 50 0 IJAARN C[C@@H](Sc1nnc2n1CCCCC2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000013120788 556472924 /nfs/dbraw/zinc/47/29/24/556472924.db2.gz YPDFIGQBRXPSJL-LLVKDONJSA-N 0 0 429.596 4.884 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000013124634 556475145 /nfs/dbraw/zinc/47/51/45/556475145.db2.gz JFUSFBAGOHIRKT-YWZLYKJASA-N 0 0 431.558 4.763 50 0 IJAARN Cc1sc2nc(CSc3ccccc3)nc(NCC(=O)NCc3ccco3)c2c1C ZINC000013126994 556475499 /nfs/dbraw/zinc/47/54/99/556475499.db2.gz WIZODRMAYXVSIO-UHFFFAOYSA-N 0 0 438.578 4.922 50 0 IJAARN O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029477719 556476034 /nfs/dbraw/zinc/47/60/34/556476034.db2.gz COWLSYOSDAFARZ-IAPPQJPRSA-N 0 0 428.576 4.532 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CC)c3ccccc3C)n2C)cc1 ZINC000029493388 556476961 /nfs/dbraw/zinc/47/69/61/556476961.db2.gz ODEMXGMDAJRTHE-UHFFFAOYSA-N 0 0 437.613 4.782 50 0 IJAARN CCCc1cc(-c2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4C3)s2)ccn1 ZINC000070666225 556477224 /nfs/dbraw/zinc/47/72/24/556477224.db2.gz PGRDKACFHHFHKU-UHFFFAOYSA-N 0 0 437.565 4.682 50 0 biogenic IJAARN O=C(NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)c1ccc(C(F)(F)F)cc1 ZINC000014995668 556477517 /nfs/dbraw/zinc/47/75/17/556477517.db2.gz VRANFIMJDBZNAB-QGZVFWFLSA-N 0 0 433.817 4.549 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncnc(N3CCN(C(=O)NCc4ccccc4)CC3)c12 ZINC000032876122 556483225 /nfs/dbraw/zinc/48/32/25/556483225.db2.gz MSNWMKSBBZGGKT-UHFFFAOYSA-N 0 0 443.576 4.699 50 0 IJAARN CC(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000072289137 556483546 /nfs/dbraw/zinc/48/35/46/556483546.db2.gz XIUIMHGVQRTYQW-HSZRJFAPSA-N 0 0 444.597 4.626 50 0 IJAARN O=C(Nc1cc(-c2cccc(Br)c2)ncn1)c1ccccc1Br ZINC000072290551 556486283 /nfs/dbraw/zinc/48/62/83/556486283.db2.gz IEGFGNFIGXTGIV-UHFFFAOYSA-N 0 0 433.103 4.921 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCCCC[C@@H]1c1ccco1 ZINC000072290576 556487151 /nfs/dbraw/zinc/48/71/51/556487151.db2.gz IQXCUVWHBZVLCO-OAQYLSRUSA-N 0 0 430.504 4.953 50 0 IJAARN Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)c3cccc(Cl)c3)cc2)cs1 ZINC000015068690 556494258 /nfs/dbraw/zinc/49/42/58/556494258.db2.gz HNMYDLROYDOFIG-UHFFFAOYSA-N 0 0 444.000 4.888 50 0 IJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013163927 556495137 /nfs/dbraw/zinc/49/51/37/556495137.db2.gz RDNGYYZXYXPOLQ-QHCPKHFHSA-N 0 0 449.967 4.568 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1COc1ccccc1 ZINC000013165238 556498291 /nfs/dbraw/zinc/49/82/91/556498291.db2.gz KOFNYVZGUMBIBC-UHFFFAOYSA-N 0 0 445.544 4.964 50 0 IJAARN O=C1N[C@]2(CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000013395468 556504279 /nfs/dbraw/zinc/50/42/79/556504279.db2.gz UBLXJJQOWTZNHB-QJXQVQFTSA-N 0 0 426.520 4.779 50 0 IJAARN CCOC(=O)c1sc(/[S@](C)=N/S(=O)(=O)c2ccc(Cl)cc2)c2c1CCC=C2 ZINC000013466337 556507142 /nfs/dbraw/zinc/50/71/42/556507142.db2.gz YMQUNJSGWXHHQE-AREMUKBSSA-N 0 0 443.999 4.717 50 0 IJAARN CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000015225509 556512415 /nfs/dbraw/zinc/51/24/15/556512415.db2.gz AYJCDMSDEQUTNN-UHFFFAOYSA-N 0 0 443.528 4.709 50 0 IJAARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000015239167 556513376 /nfs/dbraw/zinc/51/33/76/556513376.db2.gz VSWPENHHTPCTHC-GFCCVEGCSA-N 0 0 431.464 4.861 50 0 IJAARN COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000013547120 556514206 /nfs/dbraw/zinc/51/42/06/556514206.db2.gz WFBLGAWKWZHJRC-UHFFFAOYSA-N 0 0 432.589 4.768 50 0 IJAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000015348612 556522714 /nfs/dbraw/zinc/52/27/14/556522714.db2.gz MEIWLVNFKFGSNV-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccco2)cc1 ZINC000013574256 556524653 /nfs/dbraw/zinc/52/46/53/556524653.db2.gz SLCKTQJMCNYHKK-OAQYLSRUSA-N 0 0 426.432 4.596 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988764 556528743 /nfs/dbraw/zinc/52/87/43/556528743.db2.gz KKLGNHOOIVESHK-UHFFFAOYSA-N 0 0 444.938 4.722 50 0 IJAARN CCOc1ccc(Oc2ccc(N[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1 ZINC000015476144 556530224 /nfs/dbraw/zinc/53/02/24/556530224.db2.gz VITLKMHNLWDNKX-KRWDZBQOSA-N 0 0 431.492 4.663 50 0 IJAARN COc1ccc2c(c1)/C(=C1\N=C(c3ccccc3)OC1=O)C=C(c1ccc3c(c1)OCO3)O2 ZINC000013608972 556534156 /nfs/dbraw/zinc/53/41/56/556534156.db2.gz DNLYNFXHKDEQOH-CLCOLTQESA-N 0 0 439.423 4.572 50 0 IJAARN COc1ccc(CCn2c(C)c(C)c3c4nc(Cc5ccccc5)nn4cnc32)cc1OC ZINC000013623863 556536018 /nfs/dbraw/zinc/53/60/18/556536018.db2.gz NLILNFAJHAVIFI-UHFFFAOYSA-N 0 0 441.535 4.547 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C3=O)CC2)c(Cl)c1 ZINC000064988746 556537270 /nfs/dbraw/zinc/53/72/70/556537270.db2.gz NJTUWXQLKBJXNN-UHFFFAOYSA-N 0 0 444.938 4.722 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959198 556537809 /nfs/dbraw/zinc/53/78/09/556537809.db2.gz MZDAGVYXGVQWOT-SFHVURJKSA-N 0 0 429.495 4.544 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032574968 556540977 /nfs/dbraw/zinc/54/09/77/556540977.db2.gz SXWORWSLFOEFDY-PXLXIMEGSA-N 0 0 430.504 4.730 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCN3C(=O)NC(C)(C)C3=O)cc2)cc1 ZINC000032722001 556547389 /nfs/dbraw/zinc/54/73/89/556547389.db2.gz PKRNUYPTPKKNCN-UHFFFAOYSA-N 0 0 437.540 4.826 50 0 IJAARN CC[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C1 ZINC000072304372 556548532 /nfs/dbraw/zinc/54/85/32/556548532.db2.gz HKBGKNRWSIXNFC-QHCPKHFHSA-N 0 0 425.529 4.840 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000015769683 556549902 /nfs/dbraw/zinc/54/99/02/556549902.db2.gz NVYRQRIVNQBCRD-YVLHZVERSA-N 0 0 433.327 4.565 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(OC(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997293 556551064 /nfs/dbraw/zinc/55/10/64/556551064.db2.gz RTKJIMLQTZEMEN-QFIPXVFZSA-N 0 0 436.537 4.882 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000032906408 556552220 /nfs/dbraw/zinc/55/22/20/556552220.db2.gz GKCMMCPRQFWNPW-UHFFFAOYSA-N 0 0 445.588 4.884 50 0 IJAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(Br)o3)ccc2OC)cc1 ZINC000032998311 556552246 /nfs/dbraw/zinc/55/22/46/556552246.db2.gz PDQTYHGXVAPUQB-UHFFFAOYSA-N 0 0 445.269 4.564 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998074 556552266 /nfs/dbraw/zinc/55/22/66/556552266.db2.gz FQEAEMBBXOCMRL-LJQANCHMSA-N 0 0 427.917 4.533 50 0 IJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1cccc(Cl)c1 ZINC000015822045 556553935 /nfs/dbraw/zinc/55/39/35/556553935.db2.gz IWFKGUZCRCHZCI-XKZIYDEJSA-N 0 0 448.931 4.698 50 0 IJAARN O=C(Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1)C1CC1 ZINC000033114867 556554308 /nfs/dbraw/zinc/55/43/08/556554308.db2.gz RHFFGWIDVQIPDS-UHFFFAOYSA-N 0 0 447.333 4.728 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1C ZINC000033115392 556555037 /nfs/dbraw/zinc/55/50/37/556555037.db2.gz IPZPFWIUOGQXKI-UHFFFAOYSA-N 0 0 440.609 4.975 50 0 IJAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000015860803 556558730 /nfs/dbraw/zinc/55/87/30/556558730.db2.gz UDKWQHOWSAZMAM-GOSISDBHSA-N 0 0 439.581 4.617 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCC(C)CC2)o1 ZINC000015860524 556558764 /nfs/dbraw/zinc/55/87/64/556558764.db2.gz GVAVQSQBMCHJIS-LJQANCHMSA-N 0 0 442.943 4.859 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000033318546 556561442 /nfs/dbraw/zinc/56/14/42/556561442.db2.gz FBZQHIHOVMGDEV-UHFFFAOYSA-N 0 0 430.556 4.754 50 0 IJAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1)c1ccccc1 ZINC000015922099 556564190 /nfs/dbraw/zinc/56/41/90/556564190.db2.gz PEVPMBRZTZDUMK-SFHVURJKSA-N 0 0 430.508 4.562 50 0 IJAARN Cc1cc(C(=O)NCc2ccccc2Br)c2cc(Br)ccc2n1 ZINC000032961478 556572549 /nfs/dbraw/zinc/57/25/49/556572549.db2.gz NSDGHPCJGHBVOG-UHFFFAOYSA-N 0 0 434.131 4.998 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C ZINC000016000728 556572694 /nfs/dbraw/zinc/57/26/94/556572694.db2.gz UJXHMWBWBXEYSW-CBPXPLCBSA-N 0 0 448.950 4.779 50 0 IJAARN CCOC(=O)C[C@@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000034393383 556572875 /nfs/dbraw/zinc/57/28/75/556572875.db2.gz MAUQAXOHCVNUMX-RQEIOMHYSA-N 0 0 449.522 4.997 50 0 IJAARN CCc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001163262 556574268 /nfs/dbraw/zinc/57/42/68/556574268.db2.gz BJSQPBFZTUUSNC-UHFFFAOYSA-N 0 0 440.540 4.526 50 0 IJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1Cl ZINC000072309869 556577646 /nfs/dbraw/zinc/57/76/46/556577646.db2.gz UNBJLCGNFYZGSO-DENIHFKCSA-N 0 0 443.975 4.846 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813340 556583106 /nfs/dbraw/zinc/58/31/06/556583106.db2.gz RTMPPVBYKZBGFZ-UHFFFAOYSA-N 0 0 433.533 4.707 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncnc3sc4c(c32)CCCCC4)CC1 ZINC000032911805 556585132 /nfs/dbraw/zinc/58/51/32/556585132.db2.gz CCAKUKQVUQINIG-UHFFFAOYSA-N 0 0 441.988 4.968 50 0 IJAARN COc1ccc(CC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)cc1 ZINC000034922224 556586811 /nfs/dbraw/zinc/58/68/11/556586811.db2.gz DUXOMLCPGQYGSD-UHFFFAOYSA-N 0 0 432.476 4.723 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083758 556592744 /nfs/dbraw/zinc/59/27/44/556592744.db2.gz RVOBVZFITYIPHX-QHCPKHFHSA-N 0 0 436.552 4.885 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083572 556592824 /nfs/dbraw/zinc/59/28/24/556592824.db2.gz PPSKNVNNNICYMH-QFIPXVFZSA-N 0 0 442.943 4.939 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccccc2F)cc1 ZINC000016309844 556599306 /nfs/dbraw/zinc/59/93/06/556599306.db2.gz FVDYMKJYXVEKOS-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 ZINC000071768940 556600868 /nfs/dbraw/zinc/60/08/68/556600868.db2.gz FRGBSJQHOFGIPR-UHFFFAOYSA-N 0 0 433.552 4.551 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000016352304 556602267 /nfs/dbraw/zinc/60/22/67/556602267.db2.gz DPIRPXSUFKAAJM-SFHVURJKSA-N 0 0 444.329 4.853 50 0 IJAARN COc1ccccc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)c2cc(Cl)ccc2n1 ZINC000016392267 556604478 /nfs/dbraw/zinc/60/44/78/556604478.db2.gz ZIKDCKQGIIJYAQ-UHFFFAOYSA-N 0 0 438.911 4.543 50 0 IJAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc2c(c1)OCCO2 ZINC000032985798 556605278 /nfs/dbraw/zinc/60/52/78/556605278.db2.gz CSHTWXIHLZYRAM-UHFFFAOYSA-N 0 0 430.435 4.830 50 0 IJAARN O=C(CSCc1ccc(Br)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000016425092 556606216 /nfs/dbraw/zinc/60/62/16/556606216.db2.gz WFJITESFFCMCCT-UHFFFAOYSA-N 0 0 433.371 4.557 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1C ZINC000016448249 556608402 /nfs/dbraw/zinc/60/84/02/556608402.db2.gz BTHYGIWGUPTEIL-XMMPIXPASA-N 0 0 428.467 4.679 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1C ZINC000016448247 556608430 /nfs/dbraw/zinc/60/84/30/556608430.db2.gz BTHYGIWGUPTEIL-DEOSSOPVSA-N 0 0 428.467 4.679 50 0 IJAARN O=C(NCCSCc1ccccc1Cl)c1ccc(I)cc1 ZINC000016450115 556609150 /nfs/dbraw/zinc/60/91/50/556609150.db2.gz CUWFUQKLXRSXOD-UHFFFAOYSA-N 0 0 431.726 4.608 50 0 IJAARN COc1cc(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000016575035 556615647 /nfs/dbraw/zinc/61/56/47/556615647.db2.gz VRCFVMFJFRXDKA-UHFFFAOYSA-N 0 0 441.572 4.585 50 0 IJAARN CCOC(=O)[C@@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccccc1 ZINC000016682203 556624565 /nfs/dbraw/zinc/62/45/65/556624565.db2.gz LVDGINAITMTTPN-NRFANRHFSA-N 0 0 428.444 4.865 50 0 IJAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000005047478 556627438 /nfs/dbraw/zinc/62/74/38/556627438.db2.gz XHSQMQUNBJQWIF-GOSISDBHSA-N 0 0 429.513 4.579 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)/C=C\c1cnn(C)c1C)C[C@@H](c1ccccc1)CC2 ZINC000033764742 556631981 /nfs/dbraw/zinc/63/19/81/556631981.db2.gz CYQJLJOJGXZAGM-LUJNMSEFSA-N 0 0 435.549 4.501 50 0 IJAARN CCCCCCOc1ccc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742513 556636366 /nfs/dbraw/zinc/63/63/66/556636366.db2.gz OSSGUOPKCGZJMM-FQEVSTJZSA-N 0 0 449.638 4.845 50 0 IJAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016750106 556637116 /nfs/dbraw/zinc/63/71/16/556637116.db2.gz BLGTWQMYSXDOPF-HSZRJFAPSA-N 0 0 427.456 4.777 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037603559 556645576 /nfs/dbraw/zinc/64/55/76/556645576.db2.gz VRPCJWXYGSKLPV-CJAUYULYSA-N 0 0 440.559 4.639 50 0 IJAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)Nc1cccc(F)c1 ZINC000016840977 556645886 /nfs/dbraw/zinc/64/58/86/556645886.db2.gz YBOJZVSSOUSBPC-UHFFFAOYSA-N 0 0 434.496 4.596 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1F ZINC000016845008 556646620 /nfs/dbraw/zinc/64/66/20/556646620.db2.gz KQHBJQFSXMKXQH-UHFFFAOYSA-N 0 0 425.510 4.532 50 0 IJAARN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037602192 556646697 /nfs/dbraw/zinc/64/66/97/556646697.db2.gz UENROFWBLNVCDF-GAJHUEQPSA-N 0 0 440.559 4.639 50 0 IJAARN C[C@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726643 556647599 /nfs/dbraw/zinc/64/75/99/556647599.db2.gz YIQGLYJTCYJFNI-AWEZNQCLSA-N 0 0 442.993 4.957 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000038487518 556649577 /nfs/dbraw/zinc/64/95/77/556649577.db2.gz BRCYNUODFFSTLJ-QGZVFWFLSA-N 0 0 431.927 4.734 50 0 IJAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011744075 556649872 /nfs/dbraw/zinc/64/98/72/556649872.db2.gz YNHFFACERBRGOK-IEBWSBKVSA-N 0 0 433.552 4.627 50 0 IJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2)cc1 ZINC000016953512 556650075 /nfs/dbraw/zinc/65/00/75/556650075.db2.gz ZPGHZPBHRXJNCJ-QHCPKHFHSA-N 0 0 432.545 4.582 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000011758714 556651955 /nfs/dbraw/zinc/65/19/55/556651955.db2.gz QEDFAOFKYYKEBO-UHFFFAOYSA-N 0 0 446.594 4.519 50 0 IJAARN O=C(CSc1ccccc1)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000033000279 556653829 /nfs/dbraw/zinc/65/38/29/556653829.db2.gz DWVGKCWXFJQNHW-UHFFFAOYSA-N 0 0 443.619 4.742 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n1 ZINC000011766034 556654794 /nfs/dbraw/zinc/65/47/94/556654794.db2.gz SOLVNABCFAGNQN-UHFFFAOYSA-N 0 0 429.112 4.510 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C)s1 ZINC000033007714 556656507 /nfs/dbraw/zinc/65/65/07/556656507.db2.gz KLYDFAQDNNSFMM-UHFFFAOYSA-N 0 0 429.567 4.633 50 0 IJAARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000011806256 556657727 /nfs/dbraw/zinc/65/77/27/556657727.db2.gz PKLWPCCRWVCNID-UHFFFAOYSA-N 0 0 429.442 4.761 50 0 IJAARN CC(C)c1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000017095341 556658847 /nfs/dbraw/zinc/65/88/47/556658847.db2.gz CCRWURCKLXVQHX-UHFFFAOYSA-N 0 0 427.397 4.623 50 0 IJAARN CCOc1ccc2nc(NC(=O)CCc3csc(NC(=O)c4ccco4)n3)sc2c1 ZINC000011835002 556659374 /nfs/dbraw/zinc/65/93/74/556659374.db2.gz FHMSXLPGGUTQLD-UHFFFAOYSA-N 0 0 442.522 4.568 50 0 IJAARN COc1ccccc1Cc1noc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc12 ZINC000011854228 556661753 /nfs/dbraw/zinc/66/17/53/556661753.db2.gz XBEHTXUWHXSJFS-UHFFFAOYSA-N 0 0 449.459 4.672 50 0 IJAARN COc1ccccc1NC(=O)COc1ccc(-c2noc(-c3ccccc3C)n2)cc1OC ZINC000033013111 556662432 /nfs/dbraw/zinc/66/24/32/556662432.db2.gz BYKFAEHFKKSKGG-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1ccc(C(=O)COc2ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc3c2)cc1 ZINC000011866318 556666220 /nfs/dbraw/zinc/66/62/20/556666220.db2.gz OIGDCMUNHLZNHA-UHFFFAOYSA-N 0 0 446.455 4.748 50 0 biogenic IJAARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000011111709 556666445 /nfs/dbraw/zinc/66/64/45/556666445.db2.gz QGFDXQUISGIKKB-KBXCAEBGSA-N 0 0 446.956 4.639 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000011867503 556667570 /nfs/dbraw/zinc/66/75/70/556667570.db2.gz WNROXZPOKSQTRQ-HXUWFJFHSA-N 0 0 449.503 4.591 50 0 IJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3cc(C)ccc3C)c3ccccc32)ccc1C ZINC000017122601 556668448 /nfs/dbraw/zinc/66/84/48/556668448.db2.gz VJNMIIKHSLDNNN-UHFFFAOYSA-N 0 0 432.549 4.874 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 ZINC000017156259 556670490 /nfs/dbraw/zinc/67/04/90/556670490.db2.gz KQLYZDBDOLPSEY-UHFFFAOYSA-N 0 0 439.903 4.625 50 0 IJAARN O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)C1(c2ccc(F)cc2)CCC1 ZINC000032929450 556671411 /nfs/dbraw/zinc/67/14/11/556671411.db2.gz MQWNSJJXJWTAMK-UHFFFAOYSA-N 0 0 442.487 4.826 50 0 IJAARN CCCC(=O)N(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914958 556674141 /nfs/dbraw/zinc/67/41/41/556674141.db2.gz WHSMQBSOEALKBV-AWEZNQCLSA-N 0 0 430.353 4.569 50 0 IJAARN Cc1cccc(C)c1NC1=C(Cl)C(=O)O[C@@H]1OC(=O)c1ccccc1Br ZINC000100798963 556675391 /nfs/dbraw/zinc/67/53/91/556675391.db2.gz BWCAUYOIRRWEGO-IBGZPJMESA-N 0 0 436.689 4.668 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011923437 556675655 /nfs/dbraw/zinc/67/56/55/556675655.db2.gz BBUBKWGWEZSWFH-UHFFFAOYSA-N 0 0 446.532 4.879 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1cc(C)c2ccccc2n1 ZINC000011976371 556678091 /nfs/dbraw/zinc/67/80/91/556678091.db2.gz COWRMXOPKHDIHE-UHFFFAOYSA-N 0 0 430.577 4.813 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000017986665 556680611 /nfs/dbraw/zinc/68/06/11/556680611.db2.gz HFHOXXCKQXYOKK-IAOVAPTHSA-N 0 0 442.309 4.594 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc(OC)c1OC ZINC000033020537 556685372 /nfs/dbraw/zinc/68/53/72/556685372.db2.gz ATUUCXXLDOYZEK-UHFFFAOYSA-N 0 0 445.519 4.637 50 0 IJAARN CC(C)C(=O)Nc1nc2cc(NC(=O)c3n[nH]c4c3CCc3ccccc3-4)ccc2s1 ZINC000033020382 556685400 /nfs/dbraw/zinc/68/54/00/556685400.db2.gz GKCSTVIEDQIENA-UHFFFAOYSA-N 0 0 431.521 4.632 50 0 IJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(OC)cc2)N3)cc1 ZINC000018210228 556687127 /nfs/dbraw/zinc/68/71/27/556687127.db2.gz UVZHTUDICVMEQI-HKUYNNGSSA-N 0 0 446.429 4.813 50 0 IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000136255875 556689181 /nfs/dbraw/zinc/68/91/81/556689181.db2.gz ZTJMXKJXJKCFMB-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1 ZINC000024200884 556691216 /nfs/dbraw/zinc/69/12/16/556691216.db2.gz SGPCJYOMNDSQGJ-UHFFFAOYSA-N 0 0 437.455 4.706 50 0 IJAARN O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1cccc2ccccc21 ZINC000001151518 556691362 /nfs/dbraw/zinc/69/13/62/556691362.db2.gz ZYXNGBKMNDBZRW-OCKHKDLRSA-N 0 0 436.470 4.883 50 0 IJAARN Cc1cc(N2CCSCC2)ccc1NC(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000072313635 556694182 /nfs/dbraw/zinc/69/41/82/556694182.db2.gz MKWBLQYWZHCWDK-HSZRJFAPSA-N 0 0 445.604 4.911 50 0 IJAARN Cc1cccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)n2)c1 ZINC000033025130 556698496 /nfs/dbraw/zinc/69/84/96/556698496.db2.gz NXFDLNLSHWMBLE-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cc2cccc(OC)c2o1 ZINC000048513718 556700212 /nfs/dbraw/zinc/70/02/12/556700212.db2.gz BJWGJDSBODRNIR-UHFFFAOYSA-N 0 0 428.558 4.603 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccco1 ZINC000067335260 556700299 /nfs/dbraw/zinc/70/02/99/556700299.db2.gz HABPUJQMBVPLES-UHFFFAOYSA-N 0 0 445.953 4.792 50 0 IJAARN Cc1n[nH]c2c1[C@H](c1cccc(Br)c1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013692563 556711942 /nfs/dbraw/zinc/71/19/42/556711942.db2.gz GOVUYAKLWQMLRK-NRFANRHFSA-N 0 0 435.325 4.750 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3ncccc3-n3cccc3)CC2)c(Br)c1 ZINC000033034586 556716792 /nfs/dbraw/zinc/71/67/92/556716792.db2.gz NZMXXZNYEXTHJQ-UHFFFAOYSA-N 0 0 439.357 4.798 50 0 IJAARN Cc1ccc(N2O[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000138934511 556720739 /nfs/dbraw/zinc/72/07/39/556720739.db2.gz PMGVEKQRRLEQFH-VJBWXMMDSA-N 0 0 432.907 4.695 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000033037346 556722758 /nfs/dbraw/zinc/72/27/58/556722758.db2.gz DBVLOODNQYITHT-UHFFFAOYSA-N 0 0 448.523 4.937 50 0 IJAARN COc1ccc(CCC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038122 556723975 /nfs/dbraw/zinc/72/39/75/556723975.db2.gz DPKSNDIKPRNUTK-UHFFFAOYSA-N 0 0 441.531 4.656 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000072329339 556726695 /nfs/dbraw/zinc/72/66/95/556726695.db2.gz FDZYKFNLLYXLOG-CYBMUJFWSA-N 0 0 429.904 4.637 50 0 IJAARN CCCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccc(OC)cc2)s1 ZINC000061721000 556728522 /nfs/dbraw/zinc/72/85/22/556728522.db2.gz MUMDBXYGIXZJPJ-UHFFFAOYSA-N 0 0 425.539 4.666 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)c1 ZINC000101192265 556730672 /nfs/dbraw/zinc/73/06/72/556730672.db2.gz NGFZCYZIFJLMFQ-KCTSRDHCSA-N 0 0 436.459 4.911 50 0 IJAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000055042220 556732668 /nfs/dbraw/zinc/73/26/68/556732668.db2.gz LXZRPQKTPRFWSN-RUZDIDTESA-N 0 0 425.532 4.747 50 0 IJAARN C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000057945627 556749683 /nfs/dbraw/zinc/74/96/83/556749683.db2.gz HVCBFCIPABFZTF-GFCCVEGCSA-N 0 0 428.747 4.502 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)cnn1-c1ccc(F)cc1 ZINC000058103670 556758565 /nfs/dbraw/zinc/75/85/65/556758565.db2.gz DFJKZAXKOJCCIG-KRWDZBQOSA-N 0 0 434.515 4.895 50 0 IJAARN Cc1csc([C@@](O)(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C(F)(F)F)n1 ZINC000058140385 556760977 /nfs/dbraw/zinc/76/09/77/556760977.db2.gz FQWJXSJJIWHVEP-RXVVDRJESA-N 0 0 434.483 4.692 50 0 IJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccccc1N1CCOC1=O ZINC000058166669 556766774 /nfs/dbraw/zinc/76/67/74/556766774.db2.gz MNDQADRVZBSCRA-UHFFFAOYSA-N 0 0 447.520 4.950 50 0 IJAARN COc1cc([C@@H](C)NC(=O)N(Cc2cccc(O)c2)C2CC2)ccc1OCc1ccncc1 ZINC000058202281 556771207 /nfs/dbraw/zinc/77/12/07/556771207.db2.gz GLIATDVIPJKSBU-GOSISDBHSA-N 0 0 447.535 4.810 50 0 IJAARN CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)n1cnc2cc(F)c(F)cc21 ZINC000058208566 556771700 /nfs/dbraw/zinc/77/17/00/556771700.db2.gz YHSUADJZKBHPEV-NRFANRHFSA-N 0 0 438.434 4.996 50 0 IJAARN O=C1CC[C@H](Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CN1 ZINC000058305489 556779015 /nfs/dbraw/zinc/77/90/15/556779015.db2.gz KSZBCPHZEJIBOK-ZDUSSCGKSA-N 0 0 445.013 4.816 50 0 IJAARN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000058342136 556781817 /nfs/dbraw/zinc/78/18/17/556781817.db2.gz JHPUDCACTHHLML-ANCZKMTESA-N 0 0 442.519 4.630 50 0 IJAARN COCc1nc2sc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c(C)c2c(OC)n1 ZINC000058391099 556784522 /nfs/dbraw/zinc/78/45/22/556784522.db2.gz BIZFVXWTEFNMCN-CYBMUJFWSA-N 0 0 449.985 4.775 50 0 IJAARN C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)[C@@H](O)c1ccc(Br)cc1 ZINC000058545276 556790059 /nfs/dbraw/zinc/79/00/59/556790059.db2.gz QIXALUGVHRCDFW-JLTOFOAXSA-N 0 0 435.325 4.988 50 0 IJAARN COc1cc2nc(/C=C/c3ccccc3F)n(-c3ccccc3OC)c(=O)c2cc1OC ZINC000034138685 556790950 /nfs/dbraw/zinc/79/09/50/556790950.db2.gz QLAZFBBWYQDHTA-OUKQBFOZSA-N 0 0 432.451 4.721 50 0 IJAARN CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000002650910 556802201 /nfs/dbraw/zinc/80/22/01/556802201.db2.gz WEIFQKBWFUNFKU-UHFFFAOYSA-N 0 0 430.854 4.837 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)cc1 ZINC000003290798 556806952 /nfs/dbraw/zinc/80/69/52/556806952.db2.gz BETPXFWVIVTCNV-UHFFFAOYSA-N 0 0 438.481 4.623 50 0 IJAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1c(F)cccc1F ZINC000003285383 556808624 /nfs/dbraw/zinc/80/86/24/556808624.db2.gz MRNZMNAJBFCIJA-UHFFFAOYSA-N 0 0 433.414 4.613 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccc(OC(F)F)cc1 ZINC000003314483 556809707 /nfs/dbraw/zinc/80/97/07/556809707.db2.gz OEZAKXRITSXNRK-UHFFFAOYSA-N 0 0 438.386 4.892 50 0 IJAARN CC(=O)c1sc2[nH]c(CSc3ncc(C(F)(F)F)cc3Cl)nc(=O)c2c1C ZINC000003357373 556811590 /nfs/dbraw/zinc/81/15/90/556811590.db2.gz HVBSZKNUJUNIGE-UHFFFAOYSA-N 0 0 433.864 4.855 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccccc1 ZINC000003337856 556812731 /nfs/dbraw/zinc/81/27/31/556812731.db2.gz YSKAMCWCIPFCQA-UHFFFAOYSA-N 0 0 429.549 4.534 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000003346796 556813478 /nfs/dbraw/zinc/81/34/78/556813478.db2.gz DAJIOAJIRMMUHK-INIZCTEOSA-N 0 0 443.347 4.991 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000003352280 556813773 /nfs/dbraw/zinc/81/37/73/556813773.db2.gz GNPIQIAJQUEVNZ-UHFFFAOYSA-N 0 0 426.270 4.568 50 0 IJAARN CCCCN1C(=O)c2ccc(C(=O)OCc3csc(Nc4ccc(C)cc4)n3)cc2C1=O ZINC000003352471 556813821 /nfs/dbraw/zinc/81/38/21/556813821.db2.gz ISGQIRIETHQQJP-UHFFFAOYSA-N 0 0 449.532 4.948 50 0 IJAARN O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003431284 556815263 /nfs/dbraw/zinc/81/52/63/556815263.db2.gz CWQCTTRBNMXOSH-UHFFFAOYSA-N 0 0 442.496 4.919 50 0 IJAARN CCN(CC(=O)Nc1cccc2ccccc21)CC(=O)Nc1ccccc1C(F)(F)F ZINC000003460147 556816319 /nfs/dbraw/zinc/81/63/19/556816319.db2.gz FLMWWAGWXUGUQG-UHFFFAOYSA-N 0 0 429.442 4.758 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cc(Cl)cc(Cl)c1 ZINC000003483681 556816583 /nfs/dbraw/zinc/81/65/83/556816583.db2.gz OVLKZDFVPJUCEM-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060331 556816766 /nfs/dbraw/zinc/81/67/66/556816766.db2.gz JHMIPFZPOMEDHY-UHFFFAOYSA-N 0 0 444.988 4.780 50 0 IJAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1Cl ZINC000033067761 556819537 /nfs/dbraw/zinc/81/95/37/556819537.db2.gz TXZKPOJZSMADBR-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033067798 556819802 /nfs/dbraw/zinc/81/98/02/556819802.db2.gz CUYVBSDKNGUHLB-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN COc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662162 556826184 /nfs/dbraw/zinc/82/61/84/556826184.db2.gz MMJQREHBWPJMHI-XMMPIXPASA-N 0 0 437.565 4.579 50 0 IJAARN C[C@H](Cc1ccco1)NC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002505 556831020 /nfs/dbraw/zinc/83/10/20/556831020.db2.gz GJJQBVZNDLTRDS-HXUWFJFHSA-N 0 0 440.547 4.515 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000019632333 556833139 /nfs/dbraw/zinc/83/31/39/556833139.db2.gz APNFSVFSNBCOPQ-UHFFFAOYSA-N 0 0 440.569 4.827 50 0 IJAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3ccc(OC)cc3)n2c1C ZINC000065315798 556833160 /nfs/dbraw/zinc/83/31/60/556833160.db2.gz DEFYNZFDGOKXSV-UHFFFAOYSA-N 0 0 437.521 4.874 50 0 IJAARN COc1ccc(C2(C(=O)N[C@@H](c3nc4ccccc4[nH]3)c3ccccc3)CCOCC2)cc1 ZINC000334160622 556836679 /nfs/dbraw/zinc/83/66/79/556836679.db2.gz ITQABRVTPCGRGK-XMMPIXPASA-N 0 0 441.531 4.526 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)c1 ZINC000019641767 556837723 /nfs/dbraw/zinc/83/77/23/556837723.db2.gz VBKJHHYTRPAJDV-AREMUKBSSA-N 0 0 435.531 4.905 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1sc2nc(C(F)F)cc(C)c2c1N ZINC000096602592 556838064 /nfs/dbraw/zinc/83/80/64/556838064.db2.gz NTPXEGQMANJKIJ-UHFFFAOYSA-N 0 0 425.482 4.842 50 0 IJAARN Cc1c2nc(N(CCCN3CCOCC3)C(=O)c3cccs3)sc2ccc1Cl ZINC000022997942 556838858 /nfs/dbraw/zinc/83/88/58/556838858.db2.gz BILBBAJYJUJVEV-UHFFFAOYSA-N 0 0 436.002 4.689 50 0 IJAARN COc1ccc2oc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000067207106 556842030 /nfs/dbraw/zinc/84/20/30/556842030.db2.gz LVDICCXXLUOGRI-UHFFFAOYSA-N 0 0 427.254 4.789 50 0 IJAARN COc1ccc(-c2coc3cc(OCC(=O)N[C@H](C)CCc4ccco4)ccc3c2=O)cc1 ZINC000008765215 556845903 /nfs/dbraw/zinc/84/59/03/556845903.db2.gz TVMXZYPPVZXGGJ-QGZVFWFLSA-N 0 0 447.487 4.578 50 0 biogenic IJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022182796 556849219 /nfs/dbraw/zinc/84/92/19/556849219.db2.gz KGTSWXKGASKMMW-UHFFFAOYSA-N 0 0 431.483 4.787 50 0 IJAARN COc1cccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000068713026 556849326 /nfs/dbraw/zinc/84/93/26/556849326.db2.gz FKDCUFXTZBPYAU-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000033069331 556850769 /nfs/dbraw/zinc/85/07/69/556850769.db2.gz GZUSEWJRHVXXFV-UHFFFAOYSA-N 0 0 449.530 4.523 50 0 IJAARN Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc5cc(Cl)ccc5[nH]4)C3)c2c1 ZINC000033071529 556852032 /nfs/dbraw/zinc/85/20/32/556852032.db2.gz XEOTYJCGERZGPT-KRWDZBQOSA-N 0 0 435.959 4.581 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072879 556852598 /nfs/dbraw/zinc/85/25/98/556852598.db2.gz PGUKHMITPDVZCL-UHFFFAOYSA-N 0 0 445.498 4.539 50 0 IJAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)N[C@H](C)c5ccccc5)CC4)c32)cc1 ZINC000033084789 556854645 /nfs/dbraw/zinc/85/46/45/556854645.db2.gz UXOVRGRPEYTDIO-GOSISDBHSA-N 0 0 441.535 4.687 50 0 IJAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccccc4CC)CC3)c(C)o2)cc1 ZINC000033085237 556855399 /nfs/dbraw/zinc/85/53/99/556855399.db2.gz URXIENUCMLOWQC-UHFFFAOYSA-N 0 0 448.567 4.961 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(SC)cc3)sc2c1 ZINC000033088229 556856235 /nfs/dbraw/zinc/85/62/35/556856235.db2.gz BAYKLADURFFTEO-INIZCTEOSA-N 0 0 436.562 4.995 50 0 IJAARN COc1cc(OC)c(NC(=O)c2nc3ccccc3nc2N2CCCCC2)cc1Cl ZINC000033086002 556856945 /nfs/dbraw/zinc/85/69/45/556856945.db2.gz MQZFMFXWFDMYJV-UHFFFAOYSA-N 0 0 426.904 4.543 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087529 556857604 /nfs/dbraw/zinc/85/76/04/556857604.db2.gz BRCNHIBDRMMTQV-UHFFFAOYSA-N 0 0 444.944 4.511 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)o2)cc1C ZINC000033103760 556858254 /nfs/dbraw/zinc/85/82/54/556858254.db2.gz MYGQPWNGVNZKJL-UHFFFAOYSA-N 0 0 431.536 4.695 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1F ZINC000033106589 556859084 /nfs/dbraw/zinc/85/90/84/556859084.db2.gz XSTORWYDQHJBHL-UHFFFAOYSA-N 0 0 443.526 4.886 50 0 IJAARN Cc1cccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000033106579 556859093 /nfs/dbraw/zinc/85/90/93/556859093.db2.gz WDFVMNLMXXVRDF-UHFFFAOYSA-N 0 0 425.536 4.747 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccccc4C)C3)s2)cc1 ZINC000033113308 556859887 /nfs/dbraw/zinc/85/98/87/556859887.db2.gz SHESUPADLJOYSR-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N3CCCCCC3)c2sc1NC(=O)CC ZINC000033113573 556860327 /nfs/dbraw/zinc/86/03/27/556860327.db2.gz DZYGZBUIPFZIER-UHFFFAOYSA-N 0 0 446.569 4.516 50 0 IJAARN CCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116026 556861707 /nfs/dbraw/zinc/86/17/07/556861707.db2.gz ZYCSHAHYFRTGOB-SFHVURJKSA-N 0 0 433.552 4.899 50 0 IJAARN COc1ccc(CCc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033122852 556863597 /nfs/dbraw/zinc/86/35/97/556863597.db2.gz AQINAQOXFKEDQH-UHFFFAOYSA-N 0 0 449.532 4.640 50 0 IJAARN CCc1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4n4nnnc34)cc2)cc1 ZINC000033128643 556865731 /nfs/dbraw/zinc/86/57/31/556865731.db2.gz OWJADSZFITYEJE-UHFFFAOYSA-N 0 0 426.505 4.638 50 0 IJAARN COc1ccc(C[N@@H+](Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 ZINC000033126262 556867092 /nfs/dbraw/zinc/86/70/92/556867092.db2.gz IDSMUKHBTRPRKH-UHFFFAOYSA-N 0 0 430.552 4.665 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126947 556867788 /nfs/dbraw/zinc/86/77/88/556867788.db2.gz WZWPCLMZCOFQBY-UHFFFAOYSA-N 0 0 440.421 4.936 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139888 556875020 /nfs/dbraw/zinc/87/50/20/556875020.db2.gz TZVHYXUMCBYZOT-GOSISDBHSA-N 0 0 441.940 4.982 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)c(Br)c1 ZINC000033140820 556876886 /nfs/dbraw/zinc/87/68/86/556876886.db2.gz YWVMIMSSBKOTLJ-UHFFFAOYSA-N 0 0 439.313 4.544 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141973 556877400 /nfs/dbraw/zinc/87/74/00/556877400.db2.gz OUFVLLJQKDHEDB-UHFFFAOYSA-N 0 0 426.879 4.917 50 0 IJAARN O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168795 556880945 /nfs/dbraw/zinc/88/09/45/556880945.db2.gz FDIXEQGQGAQNDN-NRFANRHFSA-N 0 0 432.593 4.593 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1 ZINC000033169186 556881524 /nfs/dbraw/zinc/88/15/24/556881524.db2.gz KKMRGRPECGSHKG-UHFFFAOYSA-N 0 0 426.519 4.781 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)NC2CCCCCCC2)c1 ZINC000033170549 556885879 /nfs/dbraw/zinc/88/58/79/556885879.db2.gz HLUQQFREQQGKRP-YPKPFQOOSA-N 0 0 445.585 4.811 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccccc1 ZINC000033249558 556889494 /nfs/dbraw/zinc/88/94/94/556889494.db2.gz KWPYJVAKZGMBOS-HHHXNRCGSA-N 0 0 427.548 4.629 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251161 556891923 /nfs/dbraw/zinc/89/19/23/556891923.db2.gz LACLFXHUEDIPNQ-GOSISDBHSA-N 0 0 445.441 4.825 50 0 IJAARN COc1ccc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1OC ZINC000033252139 556892483 /nfs/dbraw/zinc/89/24/83/556892483.db2.gz SLTMTRJAPFCPBE-UHFFFAOYSA-N 0 0 444.535 4.660 50 0 IJAARN Cc1cccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)c1 ZINC000033255156 556894752 /nfs/dbraw/zinc/89/47/52/556894752.db2.gz WMIRMGKZKACTQQ-UHFFFAOYSA-N 0 0 439.515 4.825 50 0 IJAARN Cc1ccccc1CNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255198 556894821 /nfs/dbraw/zinc/89/48/21/556894821.db2.gz VWCLHJGUJRGRAQ-UHFFFAOYSA-N 0 0 439.515 4.825 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033258228 556895895 /nfs/dbraw/zinc/89/58/95/556895895.db2.gz NHJKJHHQKOHVMO-UHFFFAOYSA-N 0 0 437.931 4.930 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)cc1 ZINC000033261081 556898334 /nfs/dbraw/zinc/89/83/34/556898334.db2.gz IFTWKVWVRAVSPY-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000019800019 556917251 /nfs/dbraw/zinc/91/72/51/556917251.db2.gz YWWGWVFFLOJLAL-OAHLLOKOSA-N 0 0 440.824 4.765 50 0 IJAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc5oc(=O)ccc5c4)ccc3C(=O)O2)cc1 ZINC000019810071 556918927 /nfs/dbraw/zinc/91/89/27/556918927.db2.gz ZQAXHVYMVVIQDD-QHCPKHFHSA-N 0 0 425.440 4.808 50 0 IJAARN Cc1nn2c(ncc3c(=O)n(-c4ccc(Br)cc4)ccc32)c1-c1ccc(F)cc1 ZINC000019821317 556924409 /nfs/dbraw/zinc/92/44/09/556924409.db2.gz ODTASCVKOTZGJF-UHFFFAOYSA-N 0 0 449.283 4.910 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860951 556933391 /nfs/dbraw/zinc/93/33/91/556933391.db2.gz ZZLXABJRHXJCEC-SFHVURJKSA-N 0 0 434.989 4.644 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264369 556974008 /nfs/dbraw/zinc/97/40/08/556974008.db2.gz KBBYILICVMYGBU-AUSIDOKSSA-N 0 0 437.584 4.874 50 0 IJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)C1 ZINC000033264398 556974022 /nfs/dbraw/zinc/97/40/22/556974022.db2.gz HOBVRQAFXGJSFB-QHCPKHFHSA-N 0 0 437.584 4.701 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCCC4=CCCCC4)ccc3[nH]2)cc1 ZINC000033264787 556974867 /nfs/dbraw/zinc/97/48/67/556974867.db2.gz ZPWZBGWUGIQNBC-UHFFFAOYSA-N 0 0 430.552 4.927 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020095448 556979528 /nfs/dbraw/zinc/97/95/28/556979528.db2.gz HPXUAWDJVSPIOX-HXUWFJFHSA-N 0 0 425.916 4.779 50 0 IJAARN O=C(CSC1=NCCS1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000020102720 556980678 /nfs/dbraw/zinc/98/06/78/556980678.db2.gz YLQNSXFTOWZCFV-UHFFFAOYSA-N 0 0 429.611 4.616 50 0 IJAARN O=C(Nc1cc(F)c(F)c(F)c1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097087882 556983135 /nfs/dbraw/zinc/98/31/35/556983135.db2.gz DORGCRARVCDWHP-ZDUSSCGKSA-N 0 0 427.386 4.588 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000023038235 556985262 /nfs/dbraw/zinc/98/52/62/556985262.db2.gz PUKNGFDKFNTEHR-UHFFFAOYSA-N 0 0 437.613 4.702 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000033268931 556986618 /nfs/dbraw/zinc/98/66/18/556986618.db2.gz FQIBXDZLIGJDNP-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020113683 556986877 /nfs/dbraw/zinc/98/68/77/556986877.db2.gz BLTUFVWYQIFVPT-NOZRDPDXSA-N 0 0 448.494 4.966 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020113295 556986971 /nfs/dbraw/zinc/98/69/71/556986971.db2.gz LERSMZDCKMYLKP-UHFFFAOYSA-N 0 0 432.545 4.573 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000033269031 556987102 /nfs/dbraw/zinc/98/71/02/556987102.db2.gz UPSPLBZHARXZHU-QGZVFWFLSA-N 0 0 432.549 4.683 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCC(C)C)cc1 ZINC000020176662 556995429 /nfs/dbraw/zinc/99/54/29/556995429.db2.gz SBOHXWAPBHCUCD-JOCHJYFZSA-N 0 0 437.540 4.606 50 0 IJAARN COc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020258824 557004125 /nfs/dbraw/zinc/00/41/25/557004125.db2.gz XMLCQDDVPTUENH-UHFFFAOYSA-N 0 0 447.969 4.958 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2ccc3c(c2)OCCO3)s1 ZINC000096926342 557006501 /nfs/dbraw/zinc/00/65/01/557006501.db2.gz UVHAITKVTWMKAD-NTEUORMPSA-N 0 0 434.304 4.952 50 0 IJAARN O=c1cc(CN(Cc2cccs2)c2ccc(Br)cc2)nc2ccccn12 ZINC000072272295 557012678 /nfs/dbraw/zinc/01/26/78/557012678.db2.gz RUWYWJZUQBQJGT-UHFFFAOYSA-N 0 0 426.339 4.725 50 0 IJAARN COc1ccc(CCN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000020390760 557012826 /nfs/dbraw/zinc/01/28/26/557012826.db2.gz JSEGXZSWCXGALJ-UHFFFAOYSA-N 0 0 425.912 4.728 50 0 IJAARN CCOCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020391676 557012841 /nfs/dbraw/zinc/01/28/41/557012841.db2.gz CYMUYYHITDQVSB-UHFFFAOYSA-N 0 0 441.601 4.530 50 0 IJAARN CCc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)cc5)nn4ccn23)c1 ZINC000045971287 557014236 /nfs/dbraw/zinc/01/42/36/557014236.db2.gz IUMVNOTUPCEWDT-UHFFFAOYSA-N 0 0 442.548 4.646 50 0 IJAARN CCOc1ccc(/C=C\C(=O)N(Cc2ccoc2C(=O)OC)[C@@H](C)c2ccccn2)cc1 ZINC000097295158 557015667 /nfs/dbraw/zinc/01/56/67/557015667.db2.gz SAKQRQISHITVCX-GFBZKKKVSA-N 0 0 434.492 4.663 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)NC3CCCCC3)cc(C)c12 ZINC000045990576 557016476 /nfs/dbraw/zinc/01/64/76/557016476.db2.gz NTFGJYPLNGJVQN-UHFFFAOYSA-N 0 0 426.948 4.827 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N[C@H](C)c2ccccc2)cc3C)cc1 ZINC000045990694 557016499 /nfs/dbraw/zinc/01/64/99/557016499.db2.gz PKHAVORLCMCMSH-GOSISDBHSA-N 0 0 428.536 4.856 50 0 IJAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)N3CCCc4ccccc43)cc(C)c12 ZINC000045991048 557016992 /nfs/dbraw/zinc/01/69/92/557016992.db2.gz FIMQSJWGQXYEIL-UHFFFAOYSA-N 0 0 430.483 4.535 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1 ZINC000045992084 557017655 /nfs/dbraw/zinc/01/76/55/557017655.db2.gz PUURQGNZSRYXQQ-QGZVFWFLSA-N 0 0 428.492 4.552 50 0 IJAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3cc(Cl)ccc3C)cc(C(F)(F)F)c12 ZINC000045992402 557018160 /nfs/dbraw/zinc/01/81/60/557018160.db2.gz UWLVDRCHNGRANO-LLVKDONJSA-N 0 0 426.826 4.663 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)c(OC)c1 ZINC000046012106 557018574 /nfs/dbraw/zinc/01/85/74/557018574.db2.gz HBXFBBJHDPGIAV-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1ccc(CCNC(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)cc1OC ZINC000046016858 557019871 /nfs/dbraw/zinc/01/98/71/557019871.db2.gz LGMMNOZSZFZHKS-UHFFFAOYSA-N 0 0 440.565 4.637 50 0 IJAARN CCc1cc(OCC(=O)NCc2ccccc2Cl)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017146 557020449 /nfs/dbraw/zinc/02/04/49/557020449.db2.gz XJLLFSWEMIMDAD-UHFFFAOYSA-N 0 0 448.954 4.948 50 0 IJAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000046022502 557022224 /nfs/dbraw/zinc/02/22/24/557022224.db2.gz CBJZRYMUOOSVCN-UHFFFAOYSA-N 0 0 427.551 4.710 50 0 IJAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000072045246 557024395 /nfs/dbraw/zinc/02/43/95/557024395.db2.gz UCVFYHAKZQKOLO-UHFFFAOYSA-N 0 0 442.368 4.810 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c(Br)c1 ZINC000010750700 557024475 /nfs/dbraw/zinc/02/44/75/557024475.db2.gz DKLPQDVFWHCQFU-HNNXBMFYSA-N 0 0 430.346 4.632 50 0 IJAARN COCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032538 557025092 /nfs/dbraw/zinc/02/50/92/557025092.db2.gz FPZFFPYDWQMJMQ-UHFFFAOYSA-N 0 0 448.592 4.590 50 0 IJAARN CCN(c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1)S(C)(=O)=O ZINC000046058215 557029119 /nfs/dbraw/zinc/02/91/19/557029119.db2.gz HHRICFNCXBVYGH-UHFFFAOYSA-N 0 0 442.484 4.958 50 0 IJAARN CC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058759 557029527 /nfs/dbraw/zinc/02/95/27/557029527.db2.gz QIDLHARTSXOIBI-CYBMUJFWSA-N 0 0 436.986 4.908 50 0 IJAARN Cc1nc2sc([C@H](c3ccc(Br)cc3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000023157025 557029805 /nfs/dbraw/zinc/02/98/05/557029805.db2.gz BFGPWIUEHZHZRY-HSMVNMDESA-N 0 0 435.391 4.635 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046079023 557033814 /nfs/dbraw/zinc/03/38/14/557033814.db2.gz DIXVBWBLQNQTJD-UHFFFAOYSA-N 0 0 431.467 4.629 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 ZINC000046079095 557034053 /nfs/dbraw/zinc/03/40/53/557034053.db2.gz NLYUEQFHHILFKN-UHFFFAOYSA-N 0 0 434.467 4.688 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)c1 ZINC000046122767 557036515 /nfs/dbraw/zinc/03/65/15/557036515.db2.gz BPHNFVGREINRAW-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)c1 ZINC000046123389 557037147 /nfs/dbraw/zinc/03/71/47/557037147.db2.gz ZWPHTWFRGLTBFY-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3cccc(OC)c3)s2)cc(OCC)c1OCC ZINC000017206983 557038507 /nfs/dbraw/zinc/03/85/07/557038507.db2.gz LCDQBVBOMXNVAM-UHFFFAOYSA-N 0 0 443.525 4.662 50 0 IJAARN CCn1nnc2cc(C(=O)O[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)ccc21 ZINC000010853775 557039997 /nfs/dbraw/zinc/03/99/97/557039997.db2.gz PHZZJQUOAOMCSS-QHCPKHFHSA-N 0 0 428.492 4.605 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000010862836 557043343 /nfs/dbraw/zinc/04/33/43/557043343.db2.gz KHRKUAULWYLLDG-XMMPIXPASA-N 0 0 427.500 4.577 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181248 557045264 /nfs/dbraw/zinc/04/52/64/557045264.db2.gz LBBOTFUYMWJUOG-DVECYGJZSA-N 0 0 437.584 4.565 50 0 IJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000017287716 557045352 /nfs/dbraw/zinc/04/53/52/557045352.db2.gz ZIIVQORTLJMAPI-LLVKDONJSA-N 0 0 443.882 4.749 50 0 IJAARN CCN(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21)c1ccccc1 ZINC000017288240 557045666 /nfs/dbraw/zinc/04/56/66/557045666.db2.gz KIIIKTXFGOUAPW-UHFFFAOYSA-N 0 0 446.572 4.977 50 0 IJAARN CCOc1ccc(-n2c(S[C@H](CC)C(=O)OC)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000017268610 557048155 /nfs/dbraw/zinc/04/81/55/557048155.db2.gz YAHBORHFHSIMFH-HXUWFJFHSA-N 0 0 436.537 4.858 50 0 IJAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271475 557049185 /nfs/dbraw/zinc/04/91/85/557049185.db2.gz ZJTRBPRLRRQIAM-MRXNPFEDSA-N 0 0 448.548 4.980 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 ZINC000048264010 557050489 /nfs/dbraw/zinc/05/04/89/557050489.db2.gz OSXSWKJDTYHVFS-DEOSSOPVSA-N 0 0 437.503 4.793 50 0 IJAARN O=C(Nc1ccccc1F)c1nnc(C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000033272967 557052979 /nfs/dbraw/zinc/05/29/79/557052979.db2.gz JAKXBFPUSUHTOK-UHFFFAOYSA-N 0 0 444.919 4.603 50 0 IJAARN COCCn1c(=O)c2c(nc1SCc1cccc(Cl)c1)c(-c1ccccc1)cn2C ZINC000033273992 557053112 /nfs/dbraw/zinc/05/31/12/557053112.db2.gz KWLIFGGVWNNRQQ-UHFFFAOYSA-N 0 0 439.968 4.994 50 0 IJAARN COCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(C)c(F)c2)c2c1CCCC2 ZINC000048290864 557055364 /nfs/dbraw/zinc/05/53/64/557055364.db2.gz SPCJVXAMSFAUHR-UHFFFAOYSA-N 0 0 437.515 4.785 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048309325 557059964 /nfs/dbraw/zinc/05/99/64/557059964.db2.gz ZUVAXDUREOXRQJ-NHCUHLMSSA-N 0 0 447.604 4.841 50 0 IJAARN Cc1sc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000033278861 557060833 /nfs/dbraw/zinc/06/08/33/557060833.db2.gz WLPXCZYAQCVGGJ-UHFFFAOYSA-N 0 0 446.516 4.892 50 0 IJAARN Cc1cc(-c2cc(C(=O)Nc3ccc(-n4cccn4)nc3)c3c(C)noc3n2)c(C)s1 ZINC000023073545 557061363 /nfs/dbraw/zinc/06/13/63/557061363.db2.gz DEHSYRKIJOEBER-UHFFFAOYSA-N 0 0 430.493 4.710 50 0 IJAARN Cc1c(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000048302860 557064447 /nfs/dbraw/zinc/06/44/47/557064447.db2.gz PSYSPBRRSWNYKT-DEOSSOPVSA-N 0 0 426.520 4.585 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2CC)cc1 ZINC000023119011 557064534 /nfs/dbraw/zinc/06/45/34/557064534.db2.gz DSSHDZJREBOHHD-UHFFFAOYSA-N 0 0 448.548 4.541 50 0 IJAARN Cc1noc(Cl)c1CCC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000048303138 557064663 /nfs/dbraw/zinc/06/46/63/557064663.db2.gz YWZHQFLKDRERCJ-UHFFFAOYSA-N 0 0 434.927 4.797 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033288403 557065488 /nfs/dbraw/zinc/06/54/88/557065488.db2.gz LTXPPYAECWXOOG-FQEVSTJZSA-N 0 0 446.576 4.994 50 0 IJAARN COc1cc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2Cc2ccccc2)ccc1OC(F)F ZINC000048339792 557070193 /nfs/dbraw/zinc/07/01/93/557070193.db2.gz VZDGIQIFTZVYEM-FGZHOGPDSA-N 0 0 425.431 4.828 50 0 IJAARN O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033294674 557072604 /nfs/dbraw/zinc/07/26/04/557072604.db2.gz GYTTVMYYMSKSNN-UNOMPAQXSA-N 0 0 448.375 4.809 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2C)cc1 ZINC000033298046 557073935 /nfs/dbraw/zinc/07/39/35/557073935.db2.gz HBQMIHWEGOXXFI-UHFFFAOYSA-N 0 0 436.537 4.521 50 0 IJAARN CN1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)c2nc3ccccc3nc21 ZINC000017364312 557074317 /nfs/dbraw/zinc/07/43/17/557074317.db2.gz DHNSKMYKZXRMTM-UHFFFAOYSA-N 0 0 435.487 4.925 50 0 IJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cc(Cl)ccc3OC)c2c1 ZINC000033298727 557074515 /nfs/dbraw/zinc/07/45/15/557074515.db2.gz OOXHAAWUUGEDQM-UHFFFAOYSA-N 0 0 428.901 4.513 50 0 IJAARN COc1ccccc1-c1noc(CSc2nnc(COc3ccc(Cl)cc3)o2)n1 ZINC000023222981 557074589 /nfs/dbraw/zinc/07/45/89/557074589.db2.gz KPBIKXIUNMIVRN-UHFFFAOYSA-N 0 0 430.873 4.653 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000033299282 557077534 /nfs/dbraw/zinc/07/75/34/557077534.db2.gz AHAWYEPSQQFYNK-LLVKDONJSA-N 0 0 430.473 4.812 50 0 IJAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2)no1 ZINC000049001792 557081185 /nfs/dbraw/zinc/08/11/85/557081185.db2.gz KQYXSVYDGXPIOH-UHFFFAOYSA-N 0 0 431.926 4.944 50 0 IJAARN O=C(c1ccc(F)cc1Cl)N1CCN(c2cc(-c3ccc(Cl)cc3)ncn2)CC1 ZINC000033300717 557082501 /nfs/dbraw/zinc/08/25/01/557082501.db2.gz VECUZTFIQKSCHP-UHFFFAOYSA-N 0 0 431.298 4.552 50 0 IJAARN COc1ccc(-n2nnc(-c3nsc(Nc4ccc(OC)c(Cl)c4)n3)c2C)cc1 ZINC000033302119 557083623 /nfs/dbraw/zinc/08/36/23/557083623.db2.gz MMXVFNTUWHMMSQ-UHFFFAOYSA-N 0 0 428.905 4.508 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4cccnc4SC)cc3)o2)cc1 ZINC000033308282 557088534 /nfs/dbraw/zinc/08/85/34/557088534.db2.gz VHAUEWVNAHZQOD-UHFFFAOYSA-N 0 0 448.504 4.693 50 0 IJAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3ccccc3C(F)(F)F)cn2)cc1 ZINC000049028225 557088652 /nfs/dbraw/zinc/08/86/52/557088652.db2.gz GLWGTSFPUXPSMJ-UHFFFAOYSA-N 0 0 445.441 4.747 50 0 IJAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)CSc3ccncc3)cc2)o1 ZINC000033308352 557088878 /nfs/dbraw/zinc/08/88/78/557088878.db2.gz JCFYQQBAOSNMDT-UHFFFAOYSA-N 0 0 432.505 4.750 50 0 IJAARN O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccccc1NCc1ccco1 ZINC000011330246 557091035 /nfs/dbraw/zinc/09/10/35/557091035.db2.gz DMTKPVNFEHSYGN-UHFFFAOYSA-N 0 0 444.241 4.654 50 0 IJAARN Cc1cccc(-n2nnc(C(=O)NCc3ccccc3C(F)(F)F)c2-c2cccnc2)c1 ZINC000049003619 557091321 /nfs/dbraw/zinc/09/13/21/557091321.db2.gz QISSPDNUBFXVJU-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)cc1F ZINC000033311148 557095001 /nfs/dbraw/zinc/09/50/01/557095001.db2.gz LSZGVXAFQHMJAR-HXUWFJFHSA-N 0 0 438.543 4.691 50 0 IJAARN CCc1ccc(Nc2nnc(SC[C@@H]3CN(Cc4ccccc4)CCO3)s2)cc1 ZINC000023486516 557095033 /nfs/dbraw/zinc/09/50/33/557095033.db2.gz LAQNFVPSPBDQBH-FQEVSTJZSA-N 0 0 426.611 4.837 50 0 IJAARN CC[C@@H](C(=O)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1)c1ccccc1 ZINC000033311400 557095616 /nfs/dbraw/zinc/09/56/16/557095616.db2.gz KQKMVCNNDSKJNP-PXDATVDWSA-N 0 0 434.580 4.734 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(Sc3n[nH]c(Cc4cccs4)n3)c2c1C ZINC000023618287 557101552 /nfs/dbraw/zinc/10/15/52/557101552.db2.gz XIGBKXDIVGVECF-UHFFFAOYSA-N 0 0 442.639 4.826 50 0 IJAARN Clc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2Cc2ccco2)cc1 ZINC000017665272 557106260 /nfs/dbraw/zinc/10/62/60/557106260.db2.gz KVHBNRWVZFLLSR-UHFFFAOYSA-N 0 0 449.927 4.508 50 0 IJAARN O=C(COc1ccccc1-c1noc(COc2ccc(Cl)cc2)n1)NCc1ccccc1 ZINC000033325159 557107211 /nfs/dbraw/zinc/10/72/11/557107211.db2.gz RPGKUYNKFHSAMV-UHFFFAOYSA-N 0 0 449.894 4.664 50 0 IJAARN COc1cccc(C(=O)N2CCC(Oc3nc4c(cccc4Cl)s3)CC2)c1OC ZINC000049432706 557110235 /nfs/dbraw/zinc/11/02/35/557110235.db2.gz NUTQXMSRZDNALR-UHFFFAOYSA-N 0 0 432.929 4.651 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)ccc2OC)C12CCCCC2 ZINC000049545597 557111537 /nfs/dbraw/zinc/11/15/37/557111537.db2.gz PCPNEZQYWNZKSC-QHCPKHFHSA-N 0 0 436.552 4.531 50 0 IJAARN Cn1c(=O)sc2c1N(c1ccc(OC(F)(F)F)cc1)C(=O)C[C@@H]2c1ccccc1F ZINC000049549399 557112619 /nfs/dbraw/zinc/11/26/19/557112619.db2.gz AWWCRZRLRSHZNE-CQSZACIVSA-N 0 0 438.402 4.685 50 0 IJAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccc(F)cc1)CN(CCCCO)CO3 ZINC000585152421 557112947 /nfs/dbraw/zinc/11/29/47/557112947.db2.gz CELDMZLGGKCKLT-UHFFFAOYSA-N 0 0 437.389 4.542 50 0 IJAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000000724995 557116040 /nfs/dbraw/zinc/11/60/40/557116040.db2.gz TXVMFLDJDNZYPR-UHFFFAOYSA-N 0 0 441.575 4.762 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000049649103 557117614 /nfs/dbraw/zinc/11/76/14/557117614.db2.gz NTWODENRTYDHHZ-SCLBCKFNSA-N 0 0 426.866 4.991 50 0 IJAARN Cc1cc(Cl)cc(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000113628630 557118425 /nfs/dbraw/zinc/11/84/25/557118425.db2.gz YQMDNEBRWRFRHD-PMACEKPBSA-N 0 0 440.952 4.835 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(I)cc1F ZINC000001069312 557118662 /nfs/dbraw/zinc/11/86/62/557118662.db2.gz ZPDQEIIVTZNBDM-UHFFFAOYSA-N 0 0 440.039 4.755 50 0 IJAARN COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001171318 557119716 /nfs/dbraw/zinc/11/97/16/557119716.db2.gz CCCWHAHIADTNNI-UHFFFAOYSA-N 0 0 446.366 4.849 50 0 IJAARN O=C(Nc1cccc(NC(=O)c2cccc(I)c2)c1)c1cccs1 ZINC000001167839 557119730 /nfs/dbraw/zinc/11/97/30/557119730.db2.gz ASZQUKACGMLHBF-UHFFFAOYSA-N 0 0 448.285 4.857 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OC)ccc2ccccc21 ZINC000000641192 557124088 /nfs/dbraw/zinc/12/40/88/557124088.db2.gz FDWSONIPSKXESA-HSZRJFAPSA-N 0 0 431.492 4.514 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000017828587 557124900 /nfs/dbraw/zinc/12/49/00/557124900.db2.gz SQNFTPRZBHHNHH-UHFFFAOYSA-N 0 0 446.532 4.717 50 0 IJAARN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004792629 557125786 /nfs/dbraw/zinc/12/57/86/557125786.db2.gz ZWEHXIRVTVTQRP-JWQCQUIFSA-N 0 0 439.515 4.736 50 0 IJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1Cl ZINC000017884059 557126918 /nfs/dbraw/zinc/12/69/18/557126918.db2.gz UGLJWLLYILTFLE-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN CC(C)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000033349869 557127765 /nfs/dbraw/zinc/12/77/65/557127765.db2.gz IJYRDDZBZXONLC-ODLFYWEKSA-N 0 0 429.314 4.577 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2ccccc2)cc1 ZINC000023968000 557128409 /nfs/dbraw/zinc/12/84/09/557128409.db2.gz YAYCRADZYCJVAY-PZJWPPBQSA-N 0 0 448.548 4.547 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023982695 557129455 /nfs/dbraw/zinc/12/94/55/557129455.db2.gz XJUXLTZEOIYCDO-UHFFFAOYSA-N 0 0 434.590 4.686 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CN2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000023983956 557129831 /nfs/dbraw/zinc/12/98/31/557129831.db2.gz JVGLKKJUBHROKA-FQEVSTJZSA-N 0 0 434.594 4.777 50 0 IJAARN COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@H](C)CC4)cc1 ZINC000000664009 557131498 /nfs/dbraw/zinc/13/14/98/557131498.db2.gz MMYLHZWHWHVHII-LLVKDONJSA-N 0 0 449.498 4.961 50 0 IJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000010935250 557133881 /nfs/dbraw/zinc/13/38/81/557133881.db2.gz SQSSZSUEQQJUBA-UHFFFAOYSA-N 0 0 431.467 4.653 50 0 IJAARN COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000000693604 557137055 /nfs/dbraw/zinc/13/70/55/557137055.db2.gz MRRUMOURSIZHLZ-UHFFFAOYSA-N 0 0 428.370 4.807 50 0 IJAARN COc1ccc(-c2cc(CSc3nnc(-c4cc(Cl)ccc4Cl)n3N)on2)cc1 ZINC000011388467 557137873 /nfs/dbraw/zinc/13/78/73/557137873.db2.gz KBRWVTJFQXDRNM-UHFFFAOYSA-N 0 0 448.335 4.922 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NCc1ccccc1 ZINC000000705339 557139745 /nfs/dbraw/zinc/13/97/45/557139745.db2.gz BWVRJHQGTQXKCW-UHFFFAOYSA-N 0 0 433.558 4.957 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000709239 557140622 /nfs/dbraw/zinc/14/06/22/557140622.db2.gz OAVMWJUDOSWMOO-HSZRJFAPSA-N 0 0 425.575 4.773 50 0 IJAARN Cc1cccc2c(=O)n(CC(=O)N[C@H](c3cccs3)c3ccc4c(c3)CCCC4)cnc12 ZINC000024278488 557142960 /nfs/dbraw/zinc/14/29/60/557142960.db2.gz SNJLLRMIZSWRNS-VWLOTQADSA-N 0 0 443.572 4.551 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000024326343 557144194 /nfs/dbraw/zinc/14/41/94/557144194.db2.gz LLVIPIDHOFTLMR-UHFFFAOYSA-N 0 0 439.878 4.505 50 0 IJAARN CCCc1cc(=O)[nH]c(SCc2csc(N(C(C)=O)c3ccccc3OC)n2)n1 ZINC000011443270 557148084 /nfs/dbraw/zinc/14/80/84/557148084.db2.gz GYEBIORKXLMTNA-UHFFFAOYSA-N 0 0 430.555 4.577 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SCc1cccs1 ZINC000024572798 557151434 /nfs/dbraw/zinc/15/14/34/557151434.db2.gz HZRQVUTYSLNHGS-UHFFFAOYSA-N 0 0 438.618 4.803 50 0 IJAARN CCCCn1c(S[C@H](C)C(=O)Nc2cccc(OC)c2)nnc1-c1ccc(OC)cc1 ZINC000011488804 557153494 /nfs/dbraw/zinc/15/34/94/557153494.db2.gz HQFOTXVLNFKKQN-MRXNPFEDSA-N 0 0 440.569 4.882 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607594 557153653 /nfs/dbraw/zinc/15/36/53/557153653.db2.gz VXIMWRQZWCJOPW-UHFFFAOYSA-N 0 0 442.968 4.674 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000024641596 557157043 /nfs/dbraw/zinc/15/70/43/557157043.db2.gz SLBOCRPTULMPLZ-IBGZPJMESA-N 0 0 441.940 4.860 50 0 IJAARN CSCc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000024745883 557161416 /nfs/dbraw/zinc/16/14/16/557161416.db2.gz SUILLUGVTWHGIB-UHFFFAOYSA-N 0 0 429.545 4.629 50 0 IJAARN O=C(OC[C@@H]1CO[C@](Br)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000096034743 557162954 /nfs/dbraw/zinc/16/29/54/557162954.db2.gz DAMDRNVINBXSOD-CXAGYDPISA-N 0 0 432.097 4.771 50 0 IJAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)NC(c1ccccc1)c1ccccc1 ZINC000206845918 557166392 /nfs/dbraw/zinc/16/63/92/557166392.db2.gz PBJOKSGQFPDBPT-QFIPXVFZSA-N 0 0 440.503 4.634 50 0 IJAARN Cc1cccc(C)c1NC(=O)N(CC(=O)N(Cc1cccn1C)Cc1ccccc1)C1CC1 ZINC000000740259 557167120 /nfs/dbraw/zinc/16/71/20/557167120.db2.gz RNMPFDVAIHZQCE-UHFFFAOYSA-N 0 0 444.579 4.867 50 0 IJAARN CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000000743761 557167660 /nfs/dbraw/zinc/16/76/60/557167660.db2.gz KMCQBOBSAGYDBS-UHFFFAOYSA-N 0 0 432.568 4.508 50 0 IJAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000024830880 557170401 /nfs/dbraw/zinc/17/04/01/557170401.db2.gz IOFYXMNCGXHUEM-UHFFFAOYSA-N 0 0 429.423 4.783 50 0 IJAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3Cl)cc1)C2=O ZINC000024837249 557172350 /nfs/dbraw/zinc/17/23/50/557172350.db2.gz FZEULLLVYVBRJW-IQMFZBJNSA-N 0 0 441.915 4.572 50 0 IJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000024838906 557172849 /nfs/dbraw/zinc/17/28/49/557172849.db2.gz MKTJOKZUAGVSEV-GOSISDBHSA-N 0 0 430.504 4.820 50 0 IJAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000024918792 557178685 /nfs/dbraw/zinc/17/86/85/557178685.db2.gz LNPUNMJAMGRFIZ-UHFFFAOYSA-N 0 0 445.450 4.778 50 0 IJAARN O=C(Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1)Nc1ccccc1F ZINC000009265038 557182670 /nfs/dbraw/zinc/18/26/70/557182670.db2.gz AAGHZAWSDUSLBY-UHFFFAOYSA-N 0 0 446.507 4.563 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1OC ZINC000009265220 557183233 /nfs/dbraw/zinc/18/32/33/557183233.db2.gz OYLDBZJIYVAVDE-UHFFFAOYSA-N 0 0 445.544 4.850 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)sc1C ZINC000009265241 557183254 /nfs/dbraw/zinc/18/32/54/557183254.db2.gz GTUJILTZKFNPFX-UHFFFAOYSA-N 0 0 439.541 4.878 50 0 IJAARN Cn1cccc1[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000024988463 557187043 /nfs/dbraw/zinc/18/70/43/557187043.db2.gz BGYVLNYLFFIPLT-QFIPXVFZSA-N 0 0 434.609 4.731 50 0 IJAARN Cc1noc(C)c1CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1 ZINC000024992446 557187976 /nfs/dbraw/zinc/18/79/76/557187976.db2.gz GPCXBWARECZFLE-UHFFFAOYSA-N 0 0 441.553 4.870 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C ZINC000009698913 557191397 /nfs/dbraw/zinc/19/13/97/557191397.db2.gz UMBHYKSFEGRWFT-UTKZUKDTSA-N 0 0 442.629 4.543 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000009699294 557191424 /nfs/dbraw/zinc/19/14/24/557191424.db2.gz BGTFUMBODZVPFH-UHFFFAOYSA-N 0 0 446.960 4.584 50 0 IJAARN COCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100872334 557193854 /nfs/dbraw/zinc/19/38/54/557193854.db2.gz HTKRUPQNNCNQQG-QPLCGJKRSA-N 0 0 430.529 4.630 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)N(Cc1cccc(Br)c1)C1CC1 ZINC000025090130 557195245 /nfs/dbraw/zinc/19/52/45/557195245.db2.gz VOJKOWNYEDZQDW-UHFFFAOYSA-N 0 0 426.314 4.623 50 0 IJAARN O=C(Cc1nc(COC(=O)C2(c3ccccc3)CCCC2)cs1)NCc1ccccc1 ZINC000025247218 557201218 /nfs/dbraw/zinc/20/12/18/557201218.db2.gz BCCJDSVYOFEORT-UHFFFAOYSA-N 0 0 434.561 4.557 50 0 IJAARN COc1ccc(CCNC(=O)c2sc(Br)nc2-c2ccccc2)cc1OC ZINC000218508164 557203933 /nfs/dbraw/zinc/20/39/33/557203933.db2.gz RLGPRVJSZPUTLV-UHFFFAOYSA-N 0 0 447.354 4.562 50 0 IJAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349565 557205620 /nfs/dbraw/zinc/20/56/20/557205620.db2.gz SQEJVFJOTUEMDD-SFHVURJKSA-N 0 0 445.906 4.678 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(-c4ccco4)on3)ccc2C)c1 ZINC000025367670 557205848 /nfs/dbraw/zinc/20/58/48/557205848.db2.gz PGQAYNCJBCDUKP-UHFFFAOYSA-N 0 0 437.477 4.605 50 0 IJAARN C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025356414 557206000 /nfs/dbraw/zinc/20/60/00/557206000.db2.gz KTUOLHGIWLZTFO-XOBRGWDASA-N 0 0 432.948 4.886 50 0 IJAARN COc1cc(OC)c(NC(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)cc1Cl ZINC000011602165 557207626 /nfs/dbraw/zinc/20/76/26/557207626.db2.gz TVFCZZLDEVRCIO-UHFFFAOYSA-N 0 0 432.933 4.616 50 0 IJAARN O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12)N1CCCCC1 ZINC000169677566 557209545 /nfs/dbraw/zinc/20/95/45/557209545.db2.gz IFNJGUUYCRACNG-GGAORHGYSA-N 0 0 443.513 4.585 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)C=Cc4ccccc4)nn32)cc1 ZINC000101000018 557212185 /nfs/dbraw/zinc/21/21/85/557212185.db2.gz MLRJEYFTMJFIKD-JYFCICGUSA-N 0 0 449.514 4.995 50 0 biogenic IJAARN CN(C(=O)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1)c1ccccc1 ZINC000069946551 557213075 /nfs/dbraw/zinc/21/30/75/557213075.db2.gz SFLQXCDXDOJCIY-HSZRJFAPSA-N 0 0 433.483 4.708 50 0 IJAARN O=C(c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCCCC1 ZINC000000798578 557213314 /nfs/dbraw/zinc/21/33/14/557213314.db2.gz WKYFROXCBSDDIV-UHFFFAOYSA-N 0 0 434.561 4.708 50 0 IJAARN COc1ccc(Cn2nnnc2SCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000011622479 557215062 /nfs/dbraw/zinc/21/50/62/557215062.db2.gz OTTZDKGNHKCNJG-UHFFFAOYSA-N 0 0 429.958 4.799 50 0 IJAARN Cc1nc(C)c(Cl)c(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1Cl ZINC000072242769 557216655 /nfs/dbraw/zinc/21/66/55/557216655.db2.gz MGFGFIXOOFOTMA-UHFFFAOYSA-N 0 0 444.746 4.513 50 0 IJAARN COc1cc(NC(=O)c2ccc3ccccc3n2)c(OC)cc1NC(=O)c1ccccc1 ZINC000011651370 557220785 /nfs/dbraw/zinc/22/07/85/557220785.db2.gz SYKJNTZNLLDJAX-UHFFFAOYSA-N 0 0 427.460 4.757 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(C(F)(F)F)c1 ZINC000046658551 557221938 /nfs/dbraw/zinc/22/19/38/557221938.db2.gz GKHCXYXSALICLM-UHFFFAOYSA-N 0 0 432.446 4.768 50 0 IJAARN COc1cccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc(OC)c(OC)c2)c2ccccc2)c1 ZINC000010795866 557224697 /nfs/dbraw/zinc/22/46/97/557224697.db2.gz ANNLKXDIOWRKQN-CDIAOGBUSA-N 0 0 447.487 4.649 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1CCc1ccccc1 ZINC000011142835 557227315 /nfs/dbraw/zinc/22/73/15/557227315.db2.gz WZVPEQNHAVEMFP-UHFFFAOYSA-N 0 0 440.528 4.982 50 0 IJAARN COc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)c4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000000809731 557228955 /nfs/dbraw/zinc/22/89/55/557228955.db2.gz BLSVKORJDOOXEY-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000023320339 557231566 /nfs/dbraw/zinc/23/15/66/557231566.db2.gz MCCBLRUQJQLRNH-SANMLTNESA-N 0 0 434.967 4.961 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211374 557234491 /nfs/dbraw/zinc/23/44/91/557234491.db2.gz YBORSMDLGKKCBJ-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)c(Cl)c3)n2)cc1OC ZINC000098212300 557235669 /nfs/dbraw/zinc/23/56/69/557235669.db2.gz PBBIBZJLIXXKLZ-MRXNPFEDSA-N 0 0 431.851 4.524 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2nc(-c3cccs3)cs2)nn1-c1ccc(Cl)cc1 ZINC000026364066 557239731 /nfs/dbraw/zinc/23/97/31/557239731.db2.gz SISQZDFJXPYMRM-UHFFFAOYSA-N 0 0 428.926 4.632 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(F)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000026545097 557244462 /nfs/dbraw/zinc/24/44/62/557244462.db2.gz SOCNFSMYAQQVLS-TXEJJXNPSA-N 0 0 425.287 4.634 50 0 IJAARN O=S(=O)(c1ccccc1F)N(Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 ZINC000026777383 557248134 /nfs/dbraw/zinc/24/81/34/557248134.db2.gz ONZNSRHOQREUPB-UHFFFAOYSA-N 0 0 430.432 4.604 50 0 IJAARN O=C(CN1c2ccccc2OCCC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000026999210 557253608 /nfs/dbraw/zinc/25/36/08/557253608.db2.gz JCRKPKBNSVPDQJ-UHFFFAOYSA-N 0 0 429.501 4.718 50 0 IJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc(OC)c(Br)c1 ZINC000101095916 557254392 /nfs/dbraw/zinc/25/43/92/557254392.db2.gz MDUDOWOWMUPTOW-UHFFFAOYSA-N 0 0 431.286 4.638 50 0 IJAARN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101195243 557263422 /nfs/dbraw/zinc/26/34/22/557263422.db2.gz JDGAMABBGGXDNF-VSKRKVRLSA-N 0 0 434.492 4.599 50 0 IJAARN O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000012976513 557265751 /nfs/dbraw/zinc/26/57/51/557265751.db2.gz WUGQPRAKARPFHS-KRWDZBQOSA-N 0 0 426.332 4.718 50 0 IJAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1OC ZINC000032954379 557267090 /nfs/dbraw/zinc/26/70/90/557267090.db2.gz AQPGKNOQTHRKCR-UHFFFAOYSA-N 0 0 439.324 4.527 50 0 IJAARN Cc1cccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000027664033 557269943 /nfs/dbraw/zinc/26/99/43/557269943.db2.gz VINFTMZETCBTOR-FQEVSTJZSA-N 0 0 443.952 4.738 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664030 557269950 /nfs/dbraw/zinc/26/99/50/557269950.db2.gz MONZWAYMSBHZEG-LJQANCHMSA-N 0 0 443.952 4.738 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100724596 557271672 /nfs/dbraw/zinc/27/16/72/557271672.db2.gz DGYIORVYEFFGSJ-PWRODBHTSA-N 0 0 438.405 4.757 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1c2ncccc2N=C(c2ccc(C)cc2)CC1=O ZINC000101321646 557273437 /nfs/dbraw/zinc/27/34/37/557273437.db2.gz FFXPIECLFYMDPT-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN CC1=C(CC(=O)NCc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101375761 557281091 /nfs/dbraw/zinc/28/10/91/557281091.db2.gz ZJETYOGXSUWTAS-IACAVPECSA-N 0 0 446.547 4.992 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000101080114 557282549 /nfs/dbraw/zinc/28/25/49/557282549.db2.gz FCVOJQGHGGDHIQ-FASAQXTFSA-N 0 0 442.309 4.594 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000101388866 557282611 /nfs/dbraw/zinc/28/26/11/557282611.db2.gz ZTMCOOPCDYIZSL-JOCHJYFZSA-N 0 0 441.597 4.720 50 0 IJAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000014018518 557283228 /nfs/dbraw/zinc/28/32/28/557283228.db2.gz QFJHZRBOYTZNSI-UHFFFAOYSA-N 0 0 438.430 4.816 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NC(C)(C)C)=CSC2=N1 ZINC000101399159 557283489 /nfs/dbraw/zinc/28/34/89/557283489.db2.gz SZXUFVXOMDSXPA-OAQYLSRUSA-N 0 0 441.597 4.746 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccc2ccccc2n1 ZINC000011665525 557284152 /nfs/dbraw/zinc/28/41/52/557284152.db2.gz LVNZXNLTCDNUAR-UHFFFAOYSA-N 0 0 443.470 4.654 50 0 IJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1cccc(Cl)c1 ZINC000011665554 557284192 /nfs/dbraw/zinc/28/41/92/557284192.db2.gz AJDXUPOFYPTSTJ-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN CC1=C(CC(=O)NCc2ccncc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101464450 557285163 /nfs/dbraw/zinc/28/51/63/557285163.db2.gz RQIVFTZTBZLCMJ-PTKAHWJQSA-N 0 0 446.547 4.992 50 0 IJAARN COC(=O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000101268729 557285811 /nfs/dbraw/zinc/28/58/11/557285811.db2.gz FNJUXOKIZGGNPM-NRFANRHFSA-N 0 0 433.485 4.690 50 0 IJAARN CCCN1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)n2CCc2ccccc2)C1=O ZINC000101643862 557292461 /nfs/dbraw/zinc/29/24/61/557292461.db2.gz JMKQQPBQHGFKLH-QHCPKHFHSA-N 0 0 437.543 4.722 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000014085141 557299940 /nfs/dbraw/zinc/29/99/40/557299940.db2.gz CZUHRRTXSFWJBJ-IBGZPJMESA-N 0 0 447.608 4.876 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000011666572 557300880 /nfs/dbraw/zinc/30/08/80/557300880.db2.gz QLXWIUFCABDOQG-HSZRJFAPSA-N 0 0 429.472 4.878 50 0 IJAARN COc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c(C)c1 ZINC000101880845 557304962 /nfs/dbraw/zinc/30/49/62/557304962.db2.gz HVBZXCFPKLWXEW-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O ZINC000101880890 557305129 /nfs/dbraw/zinc/30/51/29/557305129.db2.gz DNJFCXSQUHVPCJ-UHFFFAOYSA-N 0 0 436.874 4.679 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102083105 557312414 /nfs/dbraw/zinc/31/24/14/557312414.db2.gz DCSYYJANOMORKY-LJQANCHMSA-N 0 0 443.522 4.821 50 0 IJAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1=O ZINC000032674776 557313601 /nfs/dbraw/zinc/31/36/01/557313601.db2.gz XZBMCIPGLBWXKX-CJNGLKHVSA-N 0 0 427.476 4.637 50 0 IJAARN O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000032837269 557316794 /nfs/dbraw/zinc/31/67/94/557316794.db2.gz BMQTZKXKEHAPGN-OAQYLSRUSA-N 0 0 438.430 4.607 50 0 IJAARN CN(C)C(=O)[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccccc1 ZINC000014201064 557317397 /nfs/dbraw/zinc/31/73/97/557317397.db2.gz SUCXPCUMKVXARR-IBGZPJMESA-N 0 0 435.574 4.584 50 0 IJAARN COc1ccc(OC)c(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c1 ZINC000032950161 557320268 /nfs/dbraw/zinc/32/02/68/557320268.db2.gz MTYLLGUGBLPMFQ-UHFFFAOYSA-N 0 0 437.544 4.516 50 0 IJAARN CN1c2ccc(C(=O)Nc3cccc(Br)c3)cc2-c2ccccc2S1(=O)=O ZINC000033088647 557322484 /nfs/dbraw/zinc/32/24/84/557322484.db2.gz DCNJCBVUNNAXFB-UHFFFAOYSA-N 0 0 443.322 4.507 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000102476770 557325063 /nfs/dbraw/zinc/32/50/63/557325063.db2.gz QIUMSRDWUJNJBT-PXDATVDWSA-N 0 0 436.577 4.808 50 0 IJAARN O=C(NC1CCCCC1)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130056 557325272 /nfs/dbraw/zinc/32/52/72/557325272.db2.gz LMOPQMQITMZOMQ-UHFFFAOYSA-N 0 0 448.588 4.895 50 0 IJAARN O=C(NCCc1ccc(OC(F)F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000014241493 557329178 /nfs/dbraw/zinc/32/91/78/557329178.db2.gz OBFYUORGGNOBFE-UHFFFAOYSA-N 0 0 448.473 4.567 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)c1C ZINC000033289941 557332344 /nfs/dbraw/zinc/33/23/44/557332344.db2.gz RHXPPUFMNGNOAW-UHFFFAOYSA-N 0 0 443.544 4.678 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1)N1CCCCC1 ZINC000033311258 557332602 /nfs/dbraw/zinc/33/26/02/557332602.db2.gz PUPBGRNLGZMULC-LJQANCHMSA-N 0 0 440.971 4.897 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000033401312 557334216 /nfs/dbraw/zinc/33/42/16/557334216.db2.gz KWRNVLUVZXQVLX-UHFFFAOYSA-N 0 0 434.561 4.704 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1 ZINC000023328845 557338380 /nfs/dbraw/zinc/33/83/80/557338380.db2.gz PJJLVSBYBJFQTN-RUZDIDTESA-N 0 0 430.596 4.573 50 0 IJAARN Cc1cc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)n(C(C)(C)C)n1 ZINC000023330447 557340881 /nfs/dbraw/zinc/34/08/81/557340881.db2.gz GOPADPVDKZGBFA-VWLOTQADSA-N 0 0 430.596 4.802 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102530315 557342576 /nfs/dbraw/zinc/34/25/76/557342576.db2.gz GFCIVAOLOFUDHT-UHFFFAOYSA-N 0 0 443.503 4.590 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)NCCc1ccccc1 ZINC000102530650 557342793 /nfs/dbraw/zinc/34/27/93/557342793.db2.gz LBMVHBWTYOKKKB-UHFFFAOYSA-N 0 0 431.923 4.556 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)cc1 ZINC000102531057 557343139 /nfs/dbraw/zinc/34/31/39/557343139.db2.gz HWMWMGXWSKXRTH-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc(Br)c2)cc1 ZINC000014610976 557345444 /nfs/dbraw/zinc/34/54/44/557345444.db2.gz AXWPTBAVGSNHMD-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000033695869 557348415 /nfs/dbraw/zinc/34/84/15/557348415.db2.gz SDMCIDQKVYUJNZ-NZQKXSOJSA-N 0 0 446.304 4.798 50 0 IJAARN CCCCc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000023336054 557348506 /nfs/dbraw/zinc/34/85/06/557348506.db2.gz WEMMZOTXLWOXIO-UHFFFAOYSA-N 0 0 443.544 4.787 50 0 IJAARN CCOCCn1cc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000023335110 557349900 /nfs/dbraw/zinc/34/99/00/557349900.db2.gz VCVWAQRIIFTPTJ-UHFFFAOYSA-N 0 0 447.000 4.900 50 0 IJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000023428145 557353963 /nfs/dbraw/zinc/35/39/63/557353963.db2.gz WQGJKSAKMZTDCL-DEOSSOPVSA-N 0 0 440.996 4.744 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2-c2ccccc2I)c1 ZINC000023432892 557355707 /nfs/dbraw/zinc/35/57/07/557355707.db2.gz GGIRIVBNOLKBTC-UHFFFAOYSA-N 0 0 438.268 4.966 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 ZINC000023438739 557357459 /nfs/dbraw/zinc/35/74/59/557357459.db2.gz HBTKKCIKVAQCRY-GOSISDBHSA-N 0 0 447.535 4.739 50 0 IJAARN CC1(C)OC[C@H](CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)O1 ZINC000023447787 557359588 /nfs/dbraw/zinc/35/95/88/557359588.db2.gz SJFDTUUOPBYDAD-FQEVSTJZSA-N 0 0 427.504 4.778 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3C)c2)n(-c2ccccn2)n1 ZINC000023461322 557360853 /nfs/dbraw/zinc/36/08/53/557360853.db2.gz DQLZCQZGJQRCNU-UHFFFAOYSA-N 0 0 426.476 4.672 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3[nH]nc4c3CCc3cc(OC)ccc3-4)cc2)cc1 ZINC000023456731 557362751 /nfs/dbraw/zinc/36/27/51/557362751.db2.gz XOAYCCRKESDUCJ-UHFFFAOYSA-N 0 0 439.515 4.790 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32C)cc1 ZINC000102696258 557365035 /nfs/dbraw/zinc/36/50/35/557365035.db2.gz FGXUFWKNTABFFK-HWBMXIPRSA-N 0 0 448.906 4.790 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)cc21 ZINC000102700430 557365274 /nfs/dbraw/zinc/36/52/74/557365274.db2.gz LGWBBPDBYAKTHG-NWDGAFQWSA-N 0 0 439.562 4.954 50 0 IJAARN COC(=O)c1cc(CSc2nc3scc(-c4cccs4)c3c(=O)n2C)oc1C ZINC000023596712 557367496 /nfs/dbraw/zinc/36/74/96/557367496.db2.gz NBULGEGHKXNJRP-UHFFFAOYSA-N 0 0 432.548 4.704 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@@H]3C2=O)cc1 ZINC000102766428 557381286 /nfs/dbraw/zinc/38/12/86/557381286.db2.gz ILHSREBFKREXTF-CCDWMCETSA-N 0 0 442.515 4.753 50 0 IJAARN Clc1cccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)c1 ZINC000102799501 557389811 /nfs/dbraw/zinc/38/98/11/557389811.db2.gz HFKPCUAJCIOFIO-MRXNPFEDSA-N 0 0 434.668 4.592 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccnc4)cs3)cs2)cc1OC ZINC000072405692 557398383 /nfs/dbraw/zinc/39/83/83/557398383.db2.gz CKTVLUMKXWOEAP-UHFFFAOYSA-N 0 0 438.534 4.527 50 0 IJAARN C[C@H](NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004920137 557404633 /nfs/dbraw/zinc/40/46/33/557404633.db2.gz OTBRGWMEJMDCLE-SNWHFVAUSA-N 0 0 429.564 4.572 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000102914522 557412328 /nfs/dbraw/zinc/41/23/28/557412328.db2.gz MPNFCRMMSSJXAV-PWRODBHTSA-N 0 0 438.405 4.757 50 0 IJAARN CN(C)c1ccc(C=NNc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCC4)cc1 ZINC000033618533 557422238 /nfs/dbraw/zinc/42/22/38/557422238.db2.gz QLKWXINIEMDSJO-UHFFFAOYSA-N 0 0 435.597 4.964 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000103177135 557425620 /nfs/dbraw/zinc/42/56/20/557425620.db2.gz BKUWZPLPHFMTCP-NVQXNPDNSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1ccc2c(c1)N(Cc1nc(-c3ccccc3OCc3ccccc3)no1)C(=O)CO2 ZINC000064999190 557435987 /nfs/dbraw/zinc/43/59/87/557435987.db2.gz ZZJVEEWZPNPJHG-UHFFFAOYSA-N 0 0 427.460 4.550 50 0 IJAARN CCOc1ccccc1CN(C[C@@H](C)O)C(=O)/C=C\c1cc(Cl)c(OC)c(OCC)c1 ZINC000103417890 557436492 /nfs/dbraw/zinc/43/64/92/557436492.db2.gz JJDISDCBQBOHPH-WFTPILKQSA-N 0 0 447.959 4.569 50 0 IJAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000103866015 557442254 /nfs/dbraw/zinc/44/22/54/557442254.db2.gz WKNNDPDDQDMUPA-HZHRSRAPSA-N 0 0 428.488 4.961 50 0 IJAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O ZINC000014792027 557455790 /nfs/dbraw/zinc/45/57/90/557455790.db2.gz VCUWVXFMCJGETI-AREMUKBSSA-N 0 0 443.503 4.583 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2Cc2ccco2)[C@H]1C ZINC000105470512 557499468 /nfs/dbraw/zinc/49/94/68/557499468.db2.gz QZRZCEZOOJEPLG-BVFWVQIHSA-N 0 0 449.551 4.697 50 0 IJAARN CCCOCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000051330893 557507668 /nfs/dbraw/zinc/50/76/68/557507668.db2.gz DXANMQUWEPSFFH-UHFFFAOYSA-N 0 0 430.595 4.817 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cccnc2Sc2ccc(C)c(C)c2)CC1 ZINC000036661051 557517971 /nfs/dbraw/zinc/51/79/71/557517971.db2.gz UFXNJPZJBWOWBC-UHFFFAOYSA-N 0 0 433.577 4.821 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3ccc(O)c(OC)c3)ccc21 ZINC000003316462 557525074 /nfs/dbraw/zinc/52/50/74/557525074.db2.gz UWRMVIMWEPUURQ-UKTHLTGXSA-N 0 0 444.487 4.724 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000106389880 557528450 /nfs/dbraw/zinc/52/84/50/557528450.db2.gz KSWGZGQBSSGZMU-TZIWHRDSSA-N 0 0 446.551 4.680 50 0 IJAARN Cc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000106375417 557528531 /nfs/dbraw/zinc/52/85/31/557528531.db2.gz SCIIQLAXWZNLTJ-CBGDNZLLSA-N 0 0 447.583 4.535 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(CC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000003169345 557531632 /nfs/dbraw/zinc/53/16/32/557531632.db2.gz DVWFLRNKWCZGHW-UHFFFAOYSA-N 0 0 434.565 4.888 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000107352365 557535488 /nfs/dbraw/zinc/53/54/88/557535488.db2.gz WQRRTBKGNADZIP-MYRUOYEDSA-N 0 0 435.568 4.884 50 0 IJAARN C[C@H]1C(=O)Nc2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(Cl)cc3)ccc2N1C ZINC000108460789 557542976 /nfs/dbraw/zinc/54/29/76/557542976.db2.gz CWYQBCAAWVCLKE-MEDUHNTESA-N 0 0 425.838 4.540 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108881757 557543984 /nfs/dbraw/zinc/54/39/84/557543984.db2.gz APDHZTJOKCUNND-AYGWYOGXSA-N 0 0 434.915 4.823 50 0 IJAARN CCOc1ccc(OCC)c(Nc2nc3ccccc3nc2C(=O)OC[C@@H]2CCCO2)c1 ZINC000045901636 557546756 /nfs/dbraw/zinc/54/67/56/557546756.db2.gz KLXPAUYXUPPXSA-KRWDZBQOSA-N 0 0 437.496 4.507 50 0 IJAARN COc1cccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)c1 ZINC000045900542 557546987 /nfs/dbraw/zinc/54/69/87/557546987.db2.gz IRCKGHPQTVWXTM-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941936 557551433 /nfs/dbraw/zinc/55/14/33/557551433.db2.gz FKRLOXRZPAXOLU-QHCPKHFHSA-N 0 0 429.472 4.535 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)nc2c3ccccc3sc2c1=O ZINC000045942951 557552176 /nfs/dbraw/zinc/55/21/76/557552176.db2.gz IBDGKGVGWYKNBN-UHFFFAOYSA-N 0 0 427.913 4.529 50 0 IJAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc2c(c1)OCO2 ZINC000045943212 557552334 /nfs/dbraw/zinc/55/23/34/557552334.db2.gz KSWTZJSHSFKZJK-UHFFFAOYSA-N 0 0 433.283 4.564 50 0 IJAARN COc1cccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)c1 ZINC000045962053 557557002 /nfs/dbraw/zinc/55/70/02/557557002.db2.gz VOCCUDNJROUZBB-UHFFFAOYSA-N 0 0 442.537 4.595 50 0 IJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1nc(Br)sc1C1CC1 ZINC000225471015 557726712 /nfs/dbraw/zinc/72/67/12/557726712.db2.gz LPFPYOYLIWHQIQ-UHFFFAOYSA-N 0 0 449.292 4.792 50 0 IJAARN O=C(c1ccoc1)N1CCC(Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC000225595042 557749093 /nfs/dbraw/zinc/74/90/93/557749093.db2.gz JVKKLSPENRKDEL-UHFFFAOYSA-N 0 0 433.224 4.657 50 0 IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3cccs3)C[C@@H]21 ZINC000226416037 557807019 /nfs/dbraw/zinc/80/70/19/557807019.db2.gz IFZHYUKJCNCGHH-HTAPYJJXSA-N 0 0 437.908 4.759 50 0 IJAARN COc1ccc(-c2cc(C(=O)N[C@H](c3nc(-c4ccc(OC)cc4)no3)C(C)C)no2)cc1 ZINC000227156523 557812589 /nfs/dbraw/zinc/81/25/89/557812589.db2.gz VJCGDJIBBNCHDX-NRFANRHFSA-N 0 0 448.479 4.536 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000229989546 557834673 /nfs/dbraw/zinc/83/46/73/557834673.db2.gz QBIYPRGFEDEOSX-ISJGIBHGSA-N 0 0 442.515 4.835 50 0 IJAARN CCCCCOC[C@@H]1C[C@@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000230136270 557835408 /nfs/dbraw/zinc/83/54/08/557835408.db2.gz MQGRWPHCKCMKFT-JJEOQYAHSA-N 0 0 444.553 4.558 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@H]2C1 ZINC000239038598 557842568 /nfs/dbraw/zinc/84/25/68/557842568.db2.gz DNCFJPFQNZRNOK-SKDZVZGDSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2cc(N3CCNC3=O)ccc2F)c(C)c1 ZINC000240465957 557845499 /nfs/dbraw/zinc/84/54/99/557845499.db2.gz GBRZTNUIPNMQOJ-UHFFFAOYSA-N 0 0 436.512 4.771 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCC[C@H]1c1cccnc1 ZINC000245226125 557849518 /nfs/dbraw/zinc/84/95/18/557849518.db2.gz IRPULAJQASJBJI-LNLFQRSKSA-N 0 0 445.445 4.899 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Cl ZINC000000881951 557852994 /nfs/dbraw/zinc/85/29/94/557852994.db2.gz YQCLOIDPFIXMSX-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2cccc(OC)c2)cc3C(F)(F)F)cc1 ZINC000000883794 557854548 /nfs/dbraw/zinc/85/45/48/557854548.db2.gz WVSJBVAEDCOADW-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)c1 ZINC000000890250 557859098 /nfs/dbraw/zinc/85/90/98/557859098.db2.gz ZJESVPVVMWWXLJ-UHFFFAOYSA-N 0 0 429.549 4.622 50 0 IJAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)n1 ZINC000001122391 560180504 /nfs/dbraw/zinc/18/05/04/560180504.db2.gz WWJGDLQISVVNRI-UHFFFAOYSA-N 0 0 438.500 4.890 50 0 in-vitro IJAARN COc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1OC ZINC000001083421 562920406 /nfs/dbraw/zinc/92/04/06/562920406.db2.gz TXTKDLIRFYNFKP-UHFFFAOYSA-N 0 0 432.270 4.891 50 0 IJAARN COc1ccccc1-c1c(C)oc2cc(OCC(=O)OCc3ccccc3)ccc2c1=O ZINC000001132432 562920679 /nfs/dbraw/zinc/92/06/79/562920679.db2.gz ZYLIYQPAPKKGSL-UHFFFAOYSA-N 0 0 430.456 4.899 50 0 biogenic IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000001449298 562921995 /nfs/dbraw/zinc/92/19/95/562921995.db2.gz ZYMSFAMMMKTLJR-UHFFFAOYSA-N 0 0 436.291 4.834 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000002353994 562927138 /nfs/dbraw/zinc/92/71/38/562927138.db2.gz BRBKQJZZLVNXPP-UHFFFAOYSA-N 0 0 444.969 4.956 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 ZINC000002616593 562928331 /nfs/dbraw/zinc/92/83/31/562928331.db2.gz BFRZTCFFBOAWDG-UHFFFAOYSA-N 0 0 442.471 4.891 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1C[C@H]1CCCO1 ZINC000002626841 562928618 /nfs/dbraw/zinc/92/86/18/562928618.db2.gz VZZHIVBYNGMNNV-QGZVFWFLSA-N 0 0 428.583 4.854 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 ZINC000002629476 562928764 /nfs/dbraw/zinc/92/87/64/562928764.db2.gz BQYCOLXZCIVHBO-UHFFFAOYSA-N 0 0 438.578 4.779 50 0 IJAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000002630068 562928811 /nfs/dbraw/zinc/92/88/11/562928811.db2.gz DQPCCUNCVJSDBY-FMIVXFBMSA-N 0 0 431.444 4.798 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 ZINC000002925064 562930560 /nfs/dbraw/zinc/93/05/60/562930560.db2.gz XMXUMOWLKPVKKB-UHFFFAOYSA-N 0 0 431.583 4.634 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003031028 562931931 /nfs/dbraw/zinc/93/19/31/562931931.db2.gz QKHMBDAMXJPTNT-UHFFFAOYSA-N 0 0 445.343 4.950 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1cccc(C)c1C ZINC000003048017 562932190 /nfs/dbraw/zinc/93/21/90/562932190.db2.gz ZZKNWQUEFWCZFT-UHFFFAOYSA-N 0 0 426.538 4.785 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1ccccc1Cl ZINC000003048024 562932254 /nfs/dbraw/zinc/93/22/54/562932254.db2.gz BGDLOXZYUPPSDC-UHFFFAOYSA-N 0 0 432.929 4.822 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000003240493 562933193 /nfs/dbraw/zinc/93/31/93/562933193.db2.gz VCTRPPSYNSLYIN-HNNXBMFYSA-N 0 0 428.916 4.681 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)cc1Br ZINC000003275655 562933641 /nfs/dbraw/zinc/93/36/41/562933641.db2.gz XNLQGVGXGBCMOP-OAHLLOKOSA-N 0 0 436.371 4.579 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(COC(=O)[C@H]4C[C@@H]4C)o3)c3ccccc3n2)cc1OC ZINC000003387508 562935100 /nfs/dbraw/zinc/93/51/00/562935100.db2.gz DMGFPNFNXGWPFK-YOEHRIQHSA-N 0 0 445.475 4.668 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(COC(=O)[C@H]4C[C@H]4C)o3)c3ccccc3n2)cc1OC ZINC000003387512 562935103 /nfs/dbraw/zinc/93/51/03/562935103.db2.gz DMGFPNFNXGWPFK-PBHICJAKSA-N 0 0 445.475 4.668 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657916 562937526 /nfs/dbraw/zinc/93/75/26/562937526.db2.gz HTTLFEZENOANPZ-ZEQRLZLVSA-N 0 0 430.504 4.561 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000004077649 562941547 /nfs/dbraw/zinc/94/15/47/562941547.db2.gz IDXAHHXMINTARL-UHFFFAOYSA-N 0 0 430.416 4.675 50 0 aggregator IJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N[C@H](C)CCc1ccco1 ZINC000006577848 562947861 /nfs/dbraw/zinc/94/78/61/562947861.db2.gz XHROHCATXCVVOE-MRXNPFEDSA-N 0 0 434.515 4.815 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1c1ccccn1 ZINC000008584794 562949995 /nfs/dbraw/zinc/94/99/95/562949995.db2.gz RHXPANCWDHHDOO-LJQANCHMSA-N 0 0 433.261 4.700 50 0 IJAARN COc1cc(-c2nnc(SCCOc3ccc(Cl)cc3C)o2)cc(OC)c1OC ZINC000008587177 562950260 /nfs/dbraw/zinc/95/02/60/562950260.db2.gz HFWVINXJGSZNNO-UHFFFAOYSA-N 0 0 436.917 4.895 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c1OC ZINC000008587218 562950264 /nfs/dbraw/zinc/95/02/64/562950264.db2.gz PORMGTCBJIKOHK-OAQYLSRUSA-N 0 0 443.956 4.934 50 0 IJAARN Cc1nn([C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2c3ccccc3sc21 ZINC000008587739 562950465 /nfs/dbraw/zinc/95/04/65/562950465.db2.gz JJXYLJDFKWZWGH-MRXNPFEDSA-N 0 0 435.549 4.584 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000008589177 562951081 /nfs/dbraw/zinc/95/10/81/562951081.db2.gz VTEJNASAGWQISM-GDLZYMKVSA-N 0 0 431.941 4.958 50 0 IJAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccccc2)nn1 ZINC000008589338 562951160 /nfs/dbraw/zinc/95/11/60/562951160.db2.gz WCHXHLOFZZHTOB-UHFFFAOYSA-N 0 0 432.574 4.984 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1 ZINC000008590503 562951701 /nfs/dbraw/zinc/95/17/01/562951701.db2.gz COCBXCGBHIQZPF-UHFFFAOYSA-N 0 0 432.451 4.667 50 0 aggregator IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)Nc5ccc(F)cc5)C4)sc3n2)cc1 ZINC000008591157 562951948 /nfs/dbraw/zinc/95/19/48/562951948.db2.gz QCRKRMMESMINHM-KRWDZBQOSA-N 0 0 435.528 4.760 50 0 IJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)noc1-2 ZINC000008592940 562952480 /nfs/dbraw/zinc/95/24/80/562952480.db2.gz XQEPOUXTSXDHCZ-UHFFFAOYSA-N 0 0 428.492 4.563 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](C)C1=O ZINC000008595224 562953325 /nfs/dbraw/zinc/95/33/25/562953325.db2.gz RURKAQDHVRJENY-KRWDZBQOSA-N 0 0 431.923 4.860 50 0 IJAARN COc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1OC ZINC000008595262 562953352 /nfs/dbraw/zinc/95/33/52/562953352.db2.gz OALCXHDDBKFVCQ-UHFFFAOYSA-N 0 0 427.504 4.968 50 0 biogenic IJAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(F)c3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595719 562953603 /nfs/dbraw/zinc/95/36/03/562953603.db2.gz WNHSUUHRPFVAMJ-UHFFFAOYSA-N 0 0 440.478 4.886 50 0 IJAARN Cn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 ZINC000008596507 562953824 /nfs/dbraw/zinc/95/38/24/562953824.db2.gz MUAUBRJROZAXPE-UHFFFAOYSA-N 0 0 448.947 4.544 50 0 IJAARN COc1ccccc1CNC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000008598429 562954295 /nfs/dbraw/zinc/95/42/95/562954295.db2.gz ALEHJNGTVOWFAB-UHFFFAOYSA-N 0 0 448.954 4.924 50 0 IJAARN COc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc(OC)c1 ZINC000008598735 562954455 /nfs/dbraw/zinc/95/44/55/562954455.db2.gz CYKCJKHZXQFVQV-UHFFFAOYSA-N 0 0 436.899 4.960 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccc(F)cc3c2=O)cc1 ZINC000008603846 562956108 /nfs/dbraw/zinc/95/61/08/562956108.db2.gz RPDHIKWHZOBAKC-UHFFFAOYSA-N 0 0 441.911 4.984 50 0 IJAARN Clc1ccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2ccccc23)cc1 ZINC000008603895 562956180 /nfs/dbraw/zinc/95/61/80/562956180.db2.gz LJCXFCSRBDPWAQ-UHFFFAOYSA-N 0 0 429.867 4.939 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000008607233 562957275 /nfs/dbraw/zinc/95/72/75/562957275.db2.gz ZJDFWGYOEZZXKU-OAQYLSRUSA-N 0 0 449.580 4.889 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)COc4ccc(Cl)cc4)ccc32)c1 ZINC000008607287 562957293 /nfs/dbraw/zinc/95/72/93/562957293.db2.gz YWULMKFUGSQKQV-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000008612318 562959194 /nfs/dbraw/zinc/95/91/94/562959194.db2.gz FNWNOBMWRFYPCT-UHFFFAOYSA-N 0 0 429.517 4.708 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 ZINC000008613859 562959480 /nfs/dbraw/zinc/95/94/80/562959480.db2.gz XJDQTSWNMWVOJW-UHFFFAOYSA-N 0 0 426.929 4.941 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000008971565 562966411 /nfs/dbraw/zinc/96/64/11/562966411.db2.gz BBGOCYJOOMOVRJ-UHFFFAOYSA-N 0 0 447.925 4.569 50 0 IJAARN Cc1ccc2[nH]c(=O)c(CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)cc2c1 ZINC000009431061 562970720 /nfs/dbraw/zinc/97/07/20/562970720.db2.gz YDMFMPWYCNSSHG-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)c1 ZINC000009432726 562970754 /nfs/dbraw/zinc/97/07/54/562970754.db2.gz WSZHQSJSXCBSSE-GOTSBHOMSA-N 0 0 434.561 4.876 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)c1 ZINC000009432725 562970756 /nfs/dbraw/zinc/97/07/56/562970756.db2.gz WSZHQSJSXCBSSE-PKTZIBPZSA-N 0 0 434.561 4.876 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000009591333 562973668 /nfs/dbraw/zinc/97/36/68/562973668.db2.gz FZURUBXJRIOYIA-KRWDZBQOSA-N 0 0 430.932 4.628 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000010218894 562978572 /nfs/dbraw/zinc/97/85/72/562978572.db2.gz IJQPTXFQXGFWFK-UHFFFAOYSA-N 0 0 432.542 4.759 50 0 IJAARN COCc1c(C(=O)NC2CCCCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012133149 562980941 /nfs/dbraw/zinc/98/09/41/562980941.db2.gz BNLGWZHJYGLDGF-UHFFFAOYSA-N 0 0 439.585 4.607 50 0 IJAARN CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012981919 562983745 /nfs/dbraw/zinc/98/37/45/562983745.db2.gz IGSQNECHVDJQTI-UHFFFAOYSA-N 0 0 436.455 4.805 50 0 IJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000013133490 562985085 /nfs/dbraw/zinc/98/50/85/562985085.db2.gz HCQNFCYRQZFALH-QFIPXVFZSA-N 0 0 435.321 4.941 50 0 IJAARN CCc1nc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2nc1CC ZINC000015941339 563019419 /nfs/dbraw/zinc/01/94/19/563019419.db2.gz DDTHWITUSCQICF-UHFFFAOYSA-N 0 0 442.485 4.736 50 0 IJAARN CCc1ccc([C@](O)(c2ccccc2OC)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020441001 563024959 /nfs/dbraw/zinc/02/49/59/563024959.db2.gz XPSIKVKQGXEMJM-IAPPQJPRSA-N 0 0 431.576 4.610 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@H](OCc5ccccn5)C4)n3)CCCC2)cc1 ZINC000012301188 568612916 /nfs/dbraw/zinc/61/29/16/568612916.db2.gz MYDZTWBIOMJHCA-QHCPKHFHSA-N 0 0 432.568 4.814 50 0 IJAARN c1ccc(OCc2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000023374792 568613680 /nfs/dbraw/zinc/61/36/80/568613680.db2.gz FVSOMBDNJIKHPC-UHFFFAOYSA-N 0 0 440.547 4.556 50 0 IJAARN COc1cc(CC(=O)OCc2cc3ccc(SC)cc3nc2Cl)cc(OC)c1OC ZINC000023053372 568615470 /nfs/dbraw/zinc/61/54/70/568615470.db2.gz ZIOAFXKGKVBSLV-UHFFFAOYSA-N 0 0 447.940 4.922 50 0 IJAARN C[C@@H](c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1)N1CCCCC1 ZINC000104251405 568622399 /nfs/dbraw/zinc/62/23/99/568622399.db2.gz KDLVVMZJYHYMDN-SVFBPWRDSA-N 0 0 441.645 4.601 50 0 IJAARN CC(C)COC[C@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984737 568623597 /nfs/dbraw/zinc/62/35/97/568623597.db2.gz MKQYXGGKXOWWQA-FGZHOGPDSA-N 0 0 448.966 4.508 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 ZINC000018948596 568629060 /nfs/dbraw/zinc/62/90/60/568629060.db2.gz AFQRRPBKKUGWRL-UHFFFAOYSA-N 0 0 434.423 4.557 50 0 IJAARN Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4ccc(N(C)C)cc4)c3N2)cc1 ZINC000000900606 568636108 /nfs/dbraw/zinc/63/61/08/568636108.db2.gz VCAKXPVLWFNIEB-VQTJNVASSA-N 0 0 425.483 4.873 50 0 IJAARN O=C(NCc1cccnc1)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025159210 568645501 /nfs/dbraw/zinc/64/55/01/568645501.db2.gz AUABSFDYDBAWME-UHFFFAOYSA-N 0 0 425.517 4.533 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)/C=C/c1cnn(C)c1C)C[C@H](c1ccccc1)CC2 ZINC000001019068 568651272 /nfs/dbraw/zinc/65/12/72/568651272.db2.gz CYQJLJOJGXZAGM-DPCFLFMUSA-N 0 0 435.549 4.501 50 0 IJAARN COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3Cl)c2ccccc12 ZINC000001075396 568656785 /nfs/dbraw/zinc/65/67/85/568656785.db2.gz BBLMSBUOSORRNA-UHFFFAOYSA-N 0 0 428.941 4.813 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCc1csc(-c2ccco2)n1 ZINC000025431797 568657714 /nfs/dbraw/zinc/65/77/14/568657714.db2.gz HZKQBXNEEIGQEL-UHFFFAOYSA-N 0 0 446.484 4.676 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N1NC(C2CCCCC2)=C[C@]1(O)C(F)(F)F ZINC000001101553 568657891 /nfs/dbraw/zinc/65/78/91/568657891.db2.gz YJJSFZQJDJXLBA-KRWDZBQOSA-N 0 0 439.261 4.792 50 0 IJAARN CS(=O)(=O)Nc1cc(NC(=O)c2ccccc2SCc2cccs2)ccc1F ZINC000025516082 568661996 /nfs/dbraw/zinc/66/19/96/568661996.db2.gz VYJNISPVBCAFPX-UHFFFAOYSA-N 0 0 436.555 4.803 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257357943 568731613 /nfs/dbraw/zinc/73/16/13/568731613.db2.gz QVZULXNXCIFMTL-WAQVQSJTSA-N 0 0 430.629 4.973 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034731650 568737780 /nfs/dbraw/zinc/73/77/80/568737780.db2.gz DFSPUEOKIJIMDS-LEWJYISDSA-N 0 0 445.538 4.776 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000001215201 568739689 /nfs/dbraw/zinc/73/96/89/568739689.db2.gz AOKRQZLDJMOVIE-UYAOXDASSA-N 0 0 444.457 4.525 50 0 IJAARN CC(=O)N(c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1)c1c(C)cc(C)cc1C ZINC000031625354 568741191 /nfs/dbraw/zinc/74/11/91/568741191.db2.gz IDHFWMGRXFZSHX-UHFFFAOYSA-N 0 0 435.471 4.982 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1Cl ZINC000031686950 568741626 /nfs/dbraw/zinc/74/16/26/568741626.db2.gz CTGQRURNHQIDBJ-SECBINFHSA-N 0 0 432.673 4.665 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000003221392 568743200 /nfs/dbraw/zinc/74/32/00/568743200.db2.gz HHKSYUFIBZLQES-OAHLLOKOSA-N 0 0 428.583 4.520 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000003323228 568746064 /nfs/dbraw/zinc/74/60/64/568746064.db2.gz IWSYCRMOQYOQRM-IBGZPJMESA-N 0 0 443.576 4.559 50 0 IJAARN O=C(Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1)NCC(F)(F)F ZINC000044035927 568746239 /nfs/dbraw/zinc/74/62/39/568746239.db2.gz AECJPJRXZVYPLZ-UHFFFAOYSA-N 0 0 449.654 4.576 50 0 IJAARN CN(c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1)S(C)(=O)=O ZINC000003350251 568746698 /nfs/dbraw/zinc/74/66/98/568746698.db2.gz XEMBPWVRMLIRHG-RCCKNPSSSA-N 0 0 440.952 4.915 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003429712 568748864 /nfs/dbraw/zinc/74/88/64/568748864.db2.gz JTKWFROUBOVYQN-LLVKDONJSA-N 0 0 444.746 4.553 50 0 IJAARN COC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000044167106 568749233 /nfs/dbraw/zinc/74/92/33/568749233.db2.gz URXPXEVXAICBNC-UHFFFAOYSA-N 0 0 442.471 4.715 50 0 IJAARN CCOc1ccc(-c2csc3c2ncn(Cc2cccc(OC)c2)c3=O)cc1OCC ZINC000044167048 568749338 /nfs/dbraw/zinc/74/93/38/568749338.db2.gz ZCWBVHOAMXQVLY-UHFFFAOYSA-N 0 0 436.533 4.979 50 0 IJAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000044168110 568749375 /nfs/dbraw/zinc/74/93/75/568749375.db2.gz ILCCTWFHNWOJMT-UHFFFAOYSA-N 0 0 435.524 4.876 50 0 IJAARN O=C1OCC[C@@H]1Sc1nc2scc(-c3ccccc3)c2c(=O)n1Cc1ccccc1 ZINC000003447067 568749708 /nfs/dbraw/zinc/74/97/08/568749708.db2.gz ZNTMTXACLPNZRA-SFHVURJKSA-N 0 0 434.542 4.581 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)s2)c(C)c1 ZINC000003451472 568749856 /nfs/dbraw/zinc/74/98/56/568749856.db2.gz MEEIZAVBSDLFGH-CQSZACIVSA-N 0 0 442.566 4.789 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000012571536 568750716 /nfs/dbraw/zinc/75/07/16/568750716.db2.gz IRTRQEMXTSIWSY-UHFFFAOYSA-N 0 0 425.706 4.996 50 0 IJAARN CC(C)(C)P(=Nc1ccc(Br)cc1)(N1CCOCC1)N1CCOCC1 ZINC000012583673 568752395 /nfs/dbraw/zinc/75/23/95/568752395.db2.gz YOOOVHWHCLIVOO-UHFFFAOYSA-N 0 0 430.327 4.575 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000003643806 568752414 /nfs/dbraw/zinc/75/24/14/568752414.db2.gz VRTKPDARRZKTMM-SFHVURJKSA-N 0 0 433.489 4.526 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000003656142 568753282 /nfs/dbraw/zinc/75/32/82/568753282.db2.gz GNHXDQQYANBPFF-JOCHJYFZSA-N 0 0 449.409 4.531 50 0 IJAARN Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2n1 ZINC000015317268 568755315 /nfs/dbraw/zinc/75/53/15/568755315.db2.gz PAIWQWVLHAHRCX-UHFFFAOYSA-N 0 0 435.833 4.926 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc2c1OCO2 ZINC000263584842 568758679 /nfs/dbraw/zinc/75/86/79/568758679.db2.gz BNJBRPRFULKLTR-GOSISDBHSA-N 0 0 426.472 4.901 50 0 biogenic IJAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc4cc(OC)ccc4c3)nc(=O)c2c1C ZINC000015352653 568759108 /nfs/dbraw/zinc/75/91/08/568759108.db2.gz MZTDHECUUVIWBJ-SXGWCWSVSA-N 0 0 440.908 4.978 50 0 IJAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001254872 568775196 /nfs/dbraw/zinc/77/51/96/568775196.db2.gz GCLPDBUFWDWJSH-UHFFFAOYSA-N 0 0 441.505 4.788 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)cc1OC ZINC000263617517 568777219 /nfs/dbraw/zinc/77/72/19/568777219.db2.gz OEDAXMBFQDRSBU-MRXNPFEDSA-N 0 0 431.851 4.524 50 0 IJAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(C)cc3)OC4)n2)ccc1OC ZINC000263617956 568777433 /nfs/dbraw/zinc/77/74/33/568777433.db2.gz QPTLOVZEJSXWRO-QFIPXVFZSA-N 0 0 432.480 4.587 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000001363698 568782116 /nfs/dbraw/zinc/78/21/16/568782116.db2.gz GVHPUJZZZYIEOU-AWEZNQCLSA-N 0 0 438.336 4.612 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@@H]2c2ccccc2F)cc1 ZINC000045942123 568783625 /nfs/dbraw/zinc/78/36/25/568783625.db2.gz GMKCROIVZMSGCX-XMMPIXPASA-N 0 0 449.478 4.904 50 0 IJAARN CC(C)(C)c1ccc(COC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001398506 568785652 /nfs/dbraw/zinc/78/56/52/568785652.db2.gz QFVCUINXKNQLKW-UHFFFAOYSA-N 0 0 443.487 4.512 50 0 IJAARN COC(=O)c1ccccc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001403826 568786700 /nfs/dbraw/zinc/78/67/00/568786700.db2.gz GCFMBYKGCGNCPD-UHFFFAOYSA-N 0 0 426.563 4.581 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@]2(C)CSc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000001410585 568788038 /nfs/dbraw/zinc/78/80/38/568788038.db2.gz DFVRNHWXBKEGLK-SANMLTNESA-N 0 0 445.588 4.898 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c1C ZINC000084007860 568789717 /nfs/dbraw/zinc/78/97/17/568789717.db2.gz QVAHJBKWPZLUFY-UHFFFAOYSA-N 0 0 426.314 4.839 50 0 IJAARN COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCCc1c(C)[nH]c2c1cccc2Cl ZINC000001424314 568793553 /nfs/dbraw/zinc/79/35/53/568793553.db2.gz ADKOOKZVLQLDEI-UHFFFAOYSA-N 0 0 441.380 4.930 50 0 IJAARN C[C@]12COc3c(Br)cc(Br)cc3[C@@H]1c1sc(=O)[nH]c1SC2 ZINC000001431701 568794760 /nfs/dbraw/zinc/79/47/60/568794760.db2.gz AYCROMNCFXIXCY-YMTOWFKASA-N 0 0 449.189 4.598 50 0 IJAARN O=C(CCCSc1nc2ccccc2s1)Nc1ccc(-c2nnnn2C2CC2)cc1 ZINC000012752650 568795871 /nfs/dbraw/zinc/79/58/71/568795871.db2.gz GRGBGVYRHFWHEM-UHFFFAOYSA-N 0 0 436.566 4.796 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[C@H]1CCC[C@H](C)C1 ZINC000084234998 568796541 /nfs/dbraw/zinc/79/65/41/568796541.db2.gz JLEBFQJWRSAQSZ-WCAVRKLYSA-N 0 0 449.551 4.574 50 0 IJAARN CC(C)Oc1ccc2ccccc2c1CN1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000084622044 568799179 /nfs/dbraw/zinc/79/91/79/568799179.db2.gz UWLZFAFOYNKHHF-UHFFFAOYSA-N 0 0 438.593 4.830 50 0 IJAARN O=C(c1noc2c1CSc1ccccc1-2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015673959 568803621 /nfs/dbraw/zinc/80/36/21/568803621.db2.gz FUOLPIHJYNAQQT-UHFFFAOYSA-N 0 0 445.466 4.929 50 0 IJAARN CCCOc1ccc(CNC(=O)CCN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1 ZINC000015680018 568805880 /nfs/dbraw/zinc/80/58/80/568805880.db2.gz VPPXWBDDCCZQPO-UHFFFAOYSA-N 0 0 445.519 4.638 50 0 IJAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc1 ZINC000015680832 568806207 /nfs/dbraw/zinc/80/62/07/568806207.db2.gz XDLBXIYTCQMAHL-UHFFFAOYSA-N 0 0 448.544 4.571 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccn3)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000015682269 568807076 /nfs/dbraw/zinc/80/70/76/568807076.db2.gz JPKXJIKVNXVQJD-JGCGQSQUSA-N 0 0 445.544 4.591 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219193271 568812131 /nfs/dbraw/zinc/81/21/31/568812131.db2.gz RPJVEEURKCBQEW-LJQANCHMSA-N 0 0 440.348 4.808 50 0 IJAARN COc1ccc2oc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 ZINC000004319112 568812608 /nfs/dbraw/zinc/81/26/08/568812608.db2.gz GFCLKSOWNBYTGZ-SIGOSDGXSA-N 0 0 425.525 4.628 50 0 IJAARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015727962 568812927 /nfs/dbraw/zinc/81/29/27/568812927.db2.gz USSKNZYNCWVMFX-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN CSc1ccc(CCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733415 568815855 /nfs/dbraw/zinc/81/58/55/568815855.db2.gz VBJYFUOVSMOZIO-UHFFFAOYSA-N 0 0 445.544 4.863 50 0 IJAARN Cc1ccc2cccc(OCc3nnc(SCC(=O)c4ccc(Cl)cc4)n3C)c2n1 ZINC000001454315 568819157 /nfs/dbraw/zinc/81/91/57/568819157.db2.gz LBBPCJNZUWOXPZ-UHFFFAOYSA-N 0 0 438.940 4.879 50 0 IJAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2Cl)c2cccs2)ccc1F ZINC000015780973 568825170 /nfs/dbraw/zinc/82/51/70/568825170.db2.gz YNXJESBCEMJXMM-IBGZPJMESA-N 0 0 437.945 4.794 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2 ZINC000015784892 568829874 /nfs/dbraw/zinc/82/98/74/568829874.db2.gz GYDPCNTXLQEFCF-UHFFFAOYSA-N 0 0 446.528 4.922 50 0 IJAARN CCCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccco4)ccc3[nH]2)cc1 ZINC000085653773 568832374 /nfs/dbraw/zinc/83/23/74/568832374.db2.gz XRGLGWMBOANUFR-UHFFFAOYSA-N 0 0 430.508 4.610 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4C)ccc3[nH]2)cc1 ZINC000085653756 568832413 /nfs/dbraw/zinc/83/24/13/568832413.db2.gz HYMMINYFXAUZLJ-UHFFFAOYSA-N 0 0 440.547 4.935 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000001506146 568834077 /nfs/dbraw/zinc/83/40/77/568834077.db2.gz YCCIHETVVVQJGN-UHFFFAOYSA-N 0 0 439.375 4.512 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)o2)cc1 ZINC000000857420 568836466 /nfs/dbraw/zinc/83/64/66/568836466.db2.gz XZUHVFFWQWXQNR-UHFFFAOYSA-N 0 0 434.315 4.547 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000001088869 568836637 /nfs/dbraw/zinc/83/66/37/568836637.db2.gz ASDRACHVKOFWMS-UHFFFAOYSA-N 0 0 433.508 4.872 50 0 IJAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Br)OC1=O ZINC000001511090 568836686 /nfs/dbraw/zinc/83/66/86/568836686.db2.gz AWJYVAZFSNEDSW-ZROIWOOFSA-N 0 0 437.087 4.565 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000101192043 568837105 /nfs/dbraw/zinc/83/71/05/568837105.db2.gz ATSUDVZNGNZSAA-NXXSPTCGSA-N 0 0 448.420 4.988 50 0 IJAARN Cc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000001512595 568837975 /nfs/dbraw/zinc/83/79/75/568837975.db2.gz KIQIFHWFCYJYIW-UHFFFAOYSA-N 0 0 432.907 4.900 50 0 IJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)c(OC)c1 ZINC000001516629 568839594 /nfs/dbraw/zinc/83/95/94/568839594.db2.gz FOFYVPIHPPPTGP-UHFFFAOYSA-N 0 0 445.500 4.706 50 0 IJAARN CCOc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000015821935 568839900 /nfs/dbraw/zinc/83/99/00/568839900.db2.gz JGVYLIYYDXKMER-UHFFFAOYSA-N 0 0 447.514 4.770 50 0 IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1cccc(Cl)c1 ZINC000015823826 568840146 /nfs/dbraw/zinc/84/01/46/568840146.db2.gz WNYGQLFLRVTIRD-UHFFFAOYSA-N 0 0 435.958 4.818 50 0 IJAARN COc1ccccc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O ZINC000015826603 568840757 /nfs/dbraw/zinc/84/07/57/568840757.db2.gz XPXSERHDKIDNTI-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000015827897 568841016 /nfs/dbraw/zinc/84/10/16/568841016.db2.gz OGLBYFWPJDDRGJ-UHFFFAOYSA-N 0 0 432.977 4.730 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000015829682 568841431 /nfs/dbraw/zinc/84/14/31/568841431.db2.gz BCYUDFYGGQFQKV-UHFFFAOYSA-N 0 0 437.594 4.819 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(c4ccc(F)cc4)C3=O)cc2)c1 ZINC000006144200 568846075 /nfs/dbraw/zinc/84/60/75/568846075.db2.gz DXLHGPFGHFFCDM-UHFFFAOYSA-N 0 0 449.869 4.822 50 0 IJAARN O=C(CCc1ccccc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862100 568848498 /nfs/dbraw/zinc/84/84/98/568848498.db2.gz LARWXLYPAZWIDI-UHFFFAOYSA-N 0 0 437.546 4.668 50 0 IJAARN O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000015862813 568849083 /nfs/dbraw/zinc/84/90/83/568849083.db2.gz GJMBFDMOTNHPMT-UHFFFAOYSA-N 0 0 426.442 4.619 50 0 IJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000015864397 568849936 /nfs/dbraw/zinc/84/99/36/568849936.db2.gz KJKIOXLQHDEIOW-UHFFFAOYSA-N 0 0 431.521 4.823 50 0 IJAARN Cc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000015865523 568850294 /nfs/dbraw/zinc/85/02/94/568850294.db2.gz WXQYGFVSJVZQKL-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(-n2cnnc2)c1 ZINC000015867187 568850645 /nfs/dbraw/zinc/85/06/45/568850645.db2.gz SJROVOWEOXPGFB-UHFFFAOYSA-N 0 0 443.438 4.541 50 0 IJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2s1 ZINC000015870393 568851644 /nfs/dbraw/zinc/85/16/44/568851644.db2.gz OBIIIPIOSQZDBX-UHFFFAOYSA-N 0 0 427.910 4.628 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880725 568854278 /nfs/dbraw/zinc/85/42/78/568854278.db2.gz CANKYOLPMLCLMF-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880629 568854966 /nfs/dbraw/zinc/85/49/66/568854966.db2.gz NYQKHPWYBLSDRV-CYBMUJFWSA-N 0 0 426.929 4.961 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000015995903 568862095 /nfs/dbraw/zinc/86/20/95/568862095.db2.gz VBERHMFCOAAHPW-UHFFFAOYSA-N 0 0 448.466 4.712 50 0 IJAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000016020456 568863034 /nfs/dbraw/zinc/86/30/34/568863034.db2.gz GFNFWHYMDTVGRN-UHFFFAOYSA-N 0 0 441.380 4.650 50 0 IJAARN COc1cccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000016215567 568873169 /nfs/dbraw/zinc/87/31/69/568873169.db2.gz LOOHDJWHANESAS-UHFFFAOYSA-N 0 0 447.969 4.958 50 0 IJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575609819 568878764 /nfs/dbraw/zinc/87/87/64/568878764.db2.gz QGYSLVOJTVYZLJ-SFHVURJKSA-N 0 0 434.883 4.622 50 0 IJAARN Cc1cc(C)n(-c2nc(CCNC(=O)C3c4ccccc4Oc4ccccc43)cs2)n1 ZINC000090609333 568891218 /nfs/dbraw/zinc/89/12/18/568891218.db2.gz ZVVFNQTVAWWNDS-UHFFFAOYSA-N 0 0 430.533 4.542 50 0 IJAARN Cc1nc2c(cc(OC[C@H](O)COCc3ccc4c(c3)OCO4)c3ccsc32)s1 ZINC000012985851 568895714 /nfs/dbraw/zinc/89/57/14/568895714.db2.gz QMGMRXDVUJBCIP-CQSZACIVSA-N 0 0 429.519 4.505 50 0 IJAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000029843209 568895749 /nfs/dbraw/zinc/89/57/49/568895749.db2.gz ANQYZIWKGLBVNK-YXMMZVCTSA-N 0 0 444.906 4.623 50 0 IJAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012998788 568897878 /nfs/dbraw/zinc/89/78/78/568897878.db2.gz LQMAAQWXTMENDD-HXUWFJFHSA-N 0 0 428.891 4.542 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccccc1Cn1cccn1 ZINC000013003662 568898789 /nfs/dbraw/zinc/89/87/89/568898789.db2.gz MVLYCVMTJWGQGS-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN CCn1c2ccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cc2nc(C)c1=O ZINC000013005998 568899374 /nfs/dbraw/zinc/89/93/74/568899374.db2.gz PSTSDQANLLMYRF-HXUWFJFHSA-N 0 0 432.549 4.702 50 0 IJAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000244811338 568912911 /nfs/dbraw/zinc/91/29/11/568912911.db2.gz SATUNPTUJFOSJI-QEGGNFSNSA-N 0 0 437.495 4.855 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000245312620 568914793 /nfs/dbraw/zinc/91/47/93/568914793.db2.gz WMNHFELYSHGHNV-WXFUMESZSA-N 0 0 446.478 4.666 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCN(c3ccccc3)CC1)CCCC2 ZINC000054105750 568918656 /nfs/dbraw/zinc/91/86/56/568918656.db2.gz SABDIOHFHPBDQP-RUZDIDTESA-N 0 0 446.620 4.892 50 0 IJAARN CN(c1ccc(NC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F)C1CCCCC1 ZINC000089365340 568921278 /nfs/dbraw/zinc/92/12/78/568921278.db2.gz MHAQWTSAZVLDQD-QGZVFWFLSA-N 0 0 440.567 4.544 50 0 IJAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2oc1=O ZINC000001110957 568924579 /nfs/dbraw/zinc/92/45/79/568924579.db2.gz VRYGEFWOAVYKPT-UHFFFAOYSA-N 0 0 442.467 4.746 50 0 biogenic IJAARN COc1ccc(OC)c(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCCC3)c1 ZINC000064449933 568928949 /nfs/dbraw/zinc/92/89/49/568928949.db2.gz JZBHCCBSALJGCG-UHFFFAOYSA-N 0 0 429.524 4.663 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(C)c(C)c3)C2)cc1 ZINC000064452398 568929215 /nfs/dbraw/zinc/92/92/15/568929215.db2.gz KOKOGWYKWWCLQV-JOCHJYFZSA-N 0 0 430.552 4.727 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452475 568929300 /nfs/dbraw/zinc/92/93/00/568929300.db2.gz GFYZLKAWXOSVBL-KRWDZBQOSA-N 0 0 440.906 4.594 50 0 IJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000016652812 568929367 /nfs/dbraw/zinc/92/93/67/568929367.db2.gz RLOOINDYMHJXBB-UHFFFAOYSA-N 0 0 426.463 4.637 50 0 IJAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1C ZINC000064473135 568930378 /nfs/dbraw/zinc/93/03/78/568930378.db2.gz JOUQJHHPBJDNQG-UHFFFAOYSA-N 0 0 431.515 4.988 50 0 IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc(C)c6C)CC5)n3n2)CCC4)cc1 ZINC000064592841 568935647 /nfs/dbraw/zinc/93/56/47/568935647.db2.gz GOFRPBVCWKSAFB-UHFFFAOYSA-N 0 0 438.579 4.532 50 0 IJAARN Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C)n1-c1nccs1 ZINC000089580146 568938763 /nfs/dbraw/zinc/93/87/63/568938763.db2.gz MAEZRAUDNWTSDX-SJLPKXTDSA-N 0 0 435.471 4.518 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000064605413 568939620 /nfs/dbraw/zinc/93/96/20/568939620.db2.gz NZCNFGJLXUUERG-UHFFFAOYSA-N 0 0 441.531 4.948 50 0 IJAARN CC(C)(C)c1ccc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000002054897 568940921 /nfs/dbraw/zinc/94/09/21/568940921.db2.gz ITEXIJUBLFWSMM-GZTJUZNOSA-N 0 0 431.273 4.933 50 0 IJAARN CCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064656745 568942149 /nfs/dbraw/zinc/94/21/49/568942149.db2.gz CMVLNMCEFBXYRY-GOSISDBHSA-N 0 0 427.547 4.762 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656545 568942186 /nfs/dbraw/zinc/94/21/86/568942186.db2.gz ABTAANFUVXZIBP-GOSISDBHSA-N 0 0 427.547 4.844 50 0 IJAARN CCc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(OC)cc4)csc32)cc1 ZINC000064656889 568942411 /nfs/dbraw/zinc/94/24/11/568942411.db2.gz RPJIINLKRHQONH-GOSISDBHSA-N 0 0 427.547 4.626 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064664716 568942517 /nfs/dbraw/zinc/94/25/17/568942517.db2.gz OOFPOGHGUVEWPI-GOSISDBHSA-N 0 0 429.520 4.983 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000064667543 568942911 /nfs/dbraw/zinc/94/29/11/568942911.db2.gz XBYMVONGABVWNA-UHFFFAOYSA-N 0 0 443.887 4.565 50 0 IJAARN Cc1c(S(=O)(=O)NCCc2ccccc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668073 568943111 /nfs/dbraw/zinc/94/31/11/568943111.db2.gz BWKHLAOKFAZCFH-UHFFFAOYSA-N 0 0 437.590 4.645 50 0 IJAARN Cc1c(S(=O)(=O)NC2CCCC2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000064668160 568943130 /nfs/dbraw/zinc/94/31/30/568943130.db2.gz ADTLRLRSDTYKJA-UHFFFAOYSA-N 0 0 436.002 4.998 50 0 IJAARN Cc1ccc(-c2cn3c(CC(=O)NCc4cccc(Br)c4)csc3n2)cc1 ZINC000064676162 568943942 /nfs/dbraw/zinc/94/39/42/568943942.db2.gz PCQBOQPSDPPCAT-UHFFFAOYSA-N 0 0 440.366 4.993 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)c1 ZINC000064712475 568944795 /nfs/dbraw/zinc/94/47/95/568944795.db2.gz PTIAEKHPMSAOAQ-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN CCOc1ccc([C@@H]2C(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)cc1 ZINC000036067940 568945249 /nfs/dbraw/zinc/94/52/49/568945249.db2.gz STFDJZNEOSYWML-UQHZHQPPSA-N 0 0 438.572 4.970 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068376 568945312 /nfs/dbraw/zinc/94/53/12/568945312.db2.gz KGUBKJFSCKUXRG-UHFFFAOYSA-N 0 0 449.551 4.608 50 0 IJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065587 568945331 /nfs/dbraw/zinc/94/53/31/568945331.db2.gz XOKMEQOKHQIANC-GOSISDBHSA-N 0 0 439.531 4.799 50 0 IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cc(C)ccc6C)CC5)n3n2)CCC4)cc1 ZINC000064728569 568945720 /nfs/dbraw/zinc/94/57/20/568945720.db2.gz FYSHRFQNPQYZLE-UHFFFAOYSA-N 0 0 438.579 4.532 50 0 IJAARN Cc1ccccc1CN(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)[C@@H](C)c1ccccc1 ZINC000036073532 568946425 /nfs/dbraw/zinc/94/64/25/568946425.db2.gz VEINXIKAUHASHX-REWPJTCUSA-N 0 0 433.552 4.655 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036083866 568947630 /nfs/dbraw/zinc/94/76/30/568947630.db2.gz BQJNGOVMRCONOG-NRFANRHFSA-N 0 0 428.916 4.549 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000064747564 568950099 /nfs/dbraw/zinc/95/00/99/568950099.db2.gz KGMSKJQWLIFPCW-KRWDZBQOSA-N 0 0 428.876 4.776 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000064754620 568951047 /nfs/dbraw/zinc/95/10/47/568951047.db2.gz HJMBIKLOCROLDM-SFHVURJKSA-N 0 0 447.922 4.892 50 0 IJAARN Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)NCc1ccc(F)c(Cl)c1 ZINC000064759012 568951905 /nfs/dbraw/zinc/95/19/05/568951905.db2.gz NSRGDBZEFSNEKJ-UHFFFAOYSA-N 0 0 437.906 4.616 50 0 IJAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3OC)n2)C(C)C)cc1 ZINC000036105709 568953544 /nfs/dbraw/zinc/95/35/44/568953544.db2.gz VFVZAMSUTSAZPL-UHFFFAOYSA-N 0 0 426.538 4.790 50 0 IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000036115685 568955613 /nfs/dbraw/zinc/95/56/13/568955613.db2.gz OFSZQFZZJGCOBK-FQEVSTJZSA-N 0 0 447.000 4.553 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)C(C)C ZINC000036115831 568955622 /nfs/dbraw/zinc/95/56/22/568955622.db2.gz OXHKZCCPNQNZHL-HXUWFJFHSA-N 0 0 449.016 4.801 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036117045 568955775 /nfs/dbraw/zinc/95/57/75/568955775.db2.gz GFQUUCMXVAERKF-HSZRJFAPSA-N 0 0 440.609 4.635 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036119209 568956066 /nfs/dbraw/zinc/95/60/66/568956066.db2.gz WFAKOHYBQDQXDH-OAQYLSRUSA-N 0 0 440.609 4.518 50 0 IJAARN CC[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787487 568956286 /nfs/dbraw/zinc/95/62/86/568956286.db2.gz WPBCXPORRZWTFA-XYSGEEOLSA-N 0 0 446.595 4.560 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C1CC1 ZINC000036119916 568956947 /nfs/dbraw/zinc/95/69/47/568956947.db2.gz GUNKHJIZAJEBPR-AVRDEDQJSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)CC(C)C)C(C)C)cc1 ZINC000036119867 568957179 /nfs/dbraw/zinc/95/71/79/568957179.db2.gz VUZDEGZKJASPRD-JOCHJYFZSA-N 0 0 442.625 4.844 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)C3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791269 568957366 /nfs/dbraw/zinc/95/73/66/568957366.db2.gz XUYZHGNEMZZQCC-UHFFFAOYSA-N 0 0 428.496 4.724 50 0 IJAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)C(C)C ZINC000036121824 568958039 /nfs/dbraw/zinc/95/80/39/568958039.db2.gz GAHLNRMDUILOLG-OAQYLSRUSA-N 0 0 442.625 4.702 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(N2CCOCC2)n1 ZINC000064801556 568961482 /nfs/dbraw/zinc/96/14/82/568961482.db2.gz RWULSRFNEZPFRP-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000006722588 568963140 /nfs/dbraw/zinc/96/31/40/568963140.db2.gz VZFTVEMGQOTCAB-QFIPXVFZSA-N 0 0 431.621 4.681 50 0 IJAARN CCNC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006722764 568963185 /nfs/dbraw/zinc/96/31/85/568963185.db2.gz LNPLCFURXJVHFY-KRWDZBQOSA-N 0 0 428.552 4.720 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@H](C)C(C)C)c1 ZINC000006723091 568963275 /nfs/dbraw/zinc/96/32/75/568963275.db2.gz SILGDJOKHPTNNZ-QGZVFWFLSA-N 0 0 428.552 4.720 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)cc1C ZINC000064815912 568963711 /nfs/dbraw/zinc/96/37/11/568963711.db2.gz UMDAOFJNRULKCN-DEOSSOPVSA-N 0 0 436.581 4.562 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)c2cccc(F)c2)C1=O ZINC000036152619 568963716 /nfs/dbraw/zinc/96/37/16/568963716.db2.gz PRBKVEITLFYWKN-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)nc(N1CCCCC1)n(-c1ccccc1)c2=O ZINC000064819462 568966207 /nfs/dbraw/zinc/96/62/07/568966207.db2.gz JIKAXZXGBLCQKR-UHFFFAOYSA-N 0 0 442.494 4.767 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2cccc(C)c2)c3=O)c1 ZINC000064819430 568966218 /nfs/dbraw/zinc/96/62/18/568966218.db2.gz WQJZDQJBCNIKCZ-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)C3CCC3)C2=O)cc1 ZINC000036165610 568968329 /nfs/dbraw/zinc/96/83/29/568968329.db2.gz JZIFVICDDLSHHD-HSZRJFAPSA-N 0 0 426.969 4.724 50 0 IJAARN Cc1ccccc1S(=O)(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848085 568971374 /nfs/dbraw/zinc/97/13/74/568971374.db2.gz GWMRZVWFPOQASK-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064858561 568972276 /nfs/dbraw/zinc/97/22/76/568972276.db2.gz AMKZTWSOTSOUQQ-UHFFFAOYSA-N 0 0 431.536 4.668 50 0 biogenic IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCOC)C(=O)c1ccc(F)cc1 ZINC000036208130 568973205 /nfs/dbraw/zinc/97/32/05/568973205.db2.gz XQTKVYKBCUXOAS-UHFFFAOYSA-N 0 0 425.504 4.616 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1Cl ZINC000064862173 568973907 /nfs/dbraw/zinc/97/39/07/568973907.db2.gz YARYPTZHSLWOAX-UHFFFAOYSA-N 0 0 447.988 4.854 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3C)c2)c1C ZINC000064867187 568974996 /nfs/dbraw/zinc/97/49/96/568974996.db2.gz ONZLFYQGHVGVPC-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc(C)c3C)c2)c1C ZINC000064867100 568975046 /nfs/dbraw/zinc/97/50/46/568975046.db2.gz ZJLQEZMHMQOBTK-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c1 ZINC000064873058 568978250 /nfs/dbraw/zinc/97/82/50/568978250.db2.gz FJFOWCHBOXUJCI-IBGZPJMESA-N 0 0 430.552 4.554 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000064888033 568979113 /nfs/dbraw/zinc/97/91/13/568979113.db2.gz IDINCWVAFKSBFE-UHFFFAOYSA-N 0 0 445.588 4.869 50 0 IJAARN CC(=O)Nc1cc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)ccc1C ZINC000064890477 568981349 /nfs/dbraw/zinc/98/13/49/568981349.db2.gz GJNCCROZHNOMBU-UHFFFAOYSA-N 0 0 443.507 4.804 50 0 IJAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246362 568981676 /nfs/dbraw/zinc/98/16/76/568981676.db2.gz BYTHBPWPYDBSFN-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246403 568981922 /nfs/dbraw/zinc/98/19/22/568981922.db2.gz NILKLWBLXBLXRV-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246395 568981953 /nfs/dbraw/zinc/98/19/53/568981953.db2.gz LYYMQWRHNZLOFQ-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccccc3C)c2C(C)C)C1 ZINC000006772932 568983628 /nfs/dbraw/zinc/98/36/28/568983628.db2.gz RHLDBWVVTSBJCS-LJQANCHMSA-N 0 0 425.573 4.843 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCN(Cc3ccc(C)cc3)c3ncccc32)cc1 ZINC000064929609 568988099 /nfs/dbraw/zinc/98/80/99/568988099.db2.gz CAAYCUPWXMQFAM-UHFFFAOYSA-N 0 0 444.535 4.554 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000064929966 568988258 /nfs/dbraw/zinc/98/82/58/568988258.db2.gz RHCFHRNRUHJFSY-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930738 568989018 /nfs/dbraw/zinc/98/90/18/568989018.db2.gz XQWPSLQHSQBDHD-MRXNPFEDSA-N 0 0 445.907 4.952 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000036293383 568989949 /nfs/dbraw/zinc/98/99/49/568989949.db2.gz YXTNPFVTZPDDBM-INIZCTEOSA-N 0 0 436.892 4.558 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CCOC)C[C@H](O)CC ZINC000036303054 568993555 /nfs/dbraw/zinc/99/35/55/568993555.db2.gz HAOXWJNQSRGYDH-JOCHJYFZSA-N 0 0 437.584 4.755 50 0 IJAARN CCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccccn4)no3)c(C)c2c1 ZINC000064948616 568994472 /nfs/dbraw/zinc/99/44/72/568994472.db2.gz VTAVAECTABFCBA-UHFFFAOYSA-N 0 0 440.525 4.664 50 0 IJAARN CCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccnc4)no3)c(C)c2c1 ZINC000064948617 568994476 /nfs/dbraw/zinc/99/44/76/568994476.db2.gz FWNYMCCMJPJDGL-UHFFFAOYSA-N 0 0 440.525 4.664 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)nn1-c1cccc(Br)c1 ZINC000064949944 568995379 /nfs/dbraw/zinc/99/53/79/568995379.db2.gz KJYYMJWQJJKXGM-UHFFFAOYSA-N 0 0 445.276 4.865 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(Cc2ccco2)C(=O)C2CCCC2)c1 ZINC000036314176 568998931 /nfs/dbraw/zinc/99/89/31/568998931.db2.gz GVORENRSXORBSM-UHFFFAOYSA-N 0 0 449.551 4.799 50 0 IJAARN CC(C)(C)c1ccc2oc(CN3CCN(C(=O)Nc4ccc(F)cc4F)CC3)nc2c1 ZINC000064957209 568999460 /nfs/dbraw/zinc/99/94/60/568999460.db2.gz QISDJKHYHXMUSM-UHFFFAOYSA-N 0 0 428.483 4.753 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4C)c3C)c(C)o2)cc1 ZINC000064967439 569001891 /nfs/dbraw/zinc/00/18/91/569001891.db2.gz UKGSSWMAHCTFFG-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000064972691 569076991 /nfs/dbraw/zinc/07/69/91/569076991.db2.gz KHQNWXFMQMQZFF-UHFFFAOYSA-N 0 0 431.517 4.877 50 0 IJAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(Cl)c4)oc3C)ccn2n1 ZINC000064977338 569077071 /nfs/dbraw/zinc/07/70/71/569077071.db2.gz GGVSELPQAOIEMH-UHFFFAOYSA-N 0 0 446.894 4.837 50 0 IJAARN CCC(=O)N1CCc2cc(CNC(=O)c3cc(-c4ccco4)nc4ccccc43)ccc21 ZINC000064978061 569077741 /nfs/dbraw/zinc/07/77/41/569077741.db2.gz CNBIXFPCMFHUMS-UHFFFAOYSA-N 0 0 425.488 4.724 50 0 IJAARN COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)c1 ZINC000036341701 569078962 /nfs/dbraw/zinc/07/89/62/569078962.db2.gz QQFBUYQMSCCRLD-QFIPXVFZSA-N 0 0 441.959 4.521 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036341217 569079192 /nfs/dbraw/zinc/07/91/92/569079192.db2.gz SAVKIFUNMQVHET-AREMUKBSSA-N 0 0 443.522 4.570 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@H](c2ccc(C)cc2)C1 ZINC000036343658 569079770 /nfs/dbraw/zinc/07/97/70/569079770.db2.gz GGSNVJHHEJLVNE-SANMLTNESA-N 0 0 439.559 4.740 50 0 IJAARN CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346248 569081018 /nfs/dbraw/zinc/08/10/18/569081018.db2.gz WZDZNYDGLFTFPS-JOCHJYFZSA-N 0 0 441.547 4.722 50 0 IJAARN CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346247 569081235 /nfs/dbraw/zinc/08/12/35/569081235.db2.gz WZDZNYDGLFTFPS-QFIPXVFZSA-N 0 0 441.547 4.722 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)C1 ZINC000036349096 569081734 /nfs/dbraw/zinc/08/17/34/569081734.db2.gz CSRSWCRLVFFLTC-FQEVSTJZSA-N 0 0 430.504 4.956 50 0 IJAARN CCOc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348535 569081761 /nfs/dbraw/zinc/08/17/61/569081761.db2.gz DDGLAEBXHOFLRK-DEOSSOPVSA-N 0 0 436.552 4.908 50 0 IJAARN CSc1cccc(NC(=O)N2CCC(N3CCN(Cc4cccc(C)c4)C3=O)CC2)c1 ZINC000064989084 569082950 /nfs/dbraw/zinc/08/29/50/569082950.db2.gz HHRZGTRNQVSCPF-UHFFFAOYSA-N 0 0 438.597 4.651 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)COc4ccc(Cl)cc4)cc32)cc1 ZINC000064989742 569083068 /nfs/dbraw/zinc/08/30/68/569083068.db2.gz OSWACBPITVPRPW-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccccc4Cl)ccc3C[C@H]2C)cc1 ZINC000064990229 569083239 /nfs/dbraw/zinc/08/32/39/569083239.db2.gz MYTRHTQXZGTOJY-QGZVFWFLSA-N 0 0 448.950 4.799 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c(OC)c1 ZINC000064990611 569083353 /nfs/dbraw/zinc/08/33/53/569083353.db2.gz ZYJDFNNWNXKTRH-QGZVFWFLSA-N 0 0 445.519 4.617 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990529 569083385 /nfs/dbraw/zinc/08/33/85/569083385.db2.gz NIPVKGYVLBTSCS-KRWDZBQOSA-N 0 0 445.519 4.617 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(C)cc(C)c4)cc32)cc1 ZINC000064990722 569083466 /nfs/dbraw/zinc/08/34/66/569083466.db2.gz FRIKKCAMGVAUFT-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4Cl)cc32)cc1 ZINC000064990707 569083480 /nfs/dbraw/zinc/08/34/80/569083480.db2.gz KJEWZMJNWIDCHK-UHFFFAOYSA-N 0 0 435.911 4.873 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988757 569083674 /nfs/dbraw/zinc/08/36/74/569083674.db2.gz YYRUAUKUJTXXFK-UHFFFAOYSA-N 0 0 448.901 4.552 50 0 IJAARN O=C(NC[C@@H](O)c1ccccc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036356872 569084480 /nfs/dbraw/zinc/08/44/80/569084480.db2.gz AITDBXZSZYVUAR-RPBOFIJWSA-N 0 0 440.543 4.593 50 0 IJAARN CN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1F ZINC000065000142 569085784 /nfs/dbraw/zinc/08/57/84/569085784.db2.gz KMYXXLSYNXGFRL-UHFFFAOYSA-N 0 0 436.458 4.547 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)CC(=O)N2 ZINC000036359757 569086507 /nfs/dbraw/zinc/08/65/07/569086507.db2.gz GGRAZAQNGFCQAX-ZDUSSCGKSA-N 0 0 440.294 4.791 50 0 IJAARN CCCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006280 569087259 /nfs/dbraw/zinc/08/72/59/569087259.db2.gz XDBRYSJLGWINON-UHFFFAOYSA-N 0 0 433.552 4.962 50 0 IJAARN CCCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005779 569087292 /nfs/dbraw/zinc/08/72/92/569087292.db2.gz JILYPMAWRPWVBT-GOSISDBHSA-N 0 0 433.552 4.899 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1Cl ZINC000065007877 569087413 /nfs/dbraw/zinc/08/74/13/569087413.db2.gz CFSPAWRMVHTCMJ-UHFFFAOYSA-N 0 0 425.895 4.599 50 0 IJAARN Cc1ccc(-c2ccc(Nc3cccc(Cl)c3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009124 569087878 /nfs/dbraw/zinc/08/78/78/569087878.db2.gz ZGHGRWGXYLMOIW-UHFFFAOYSA-N 0 0 428.945 4.634 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023573 569089341 /nfs/dbraw/zinc/08/93/41/569089341.db2.gz FTMJSBYONRUCRX-JOCHJYFZSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)CC(=O)Nc1ccc(OCc2cc(C(=O)NCCCc3ccccc3)no2)cc1 ZINC000065027210 569090243 /nfs/dbraw/zinc/09/02/43/569090243.db2.gz UKHHAMYXCGWTKK-UHFFFAOYSA-N 0 0 435.524 4.601 50 0 IJAARN O=C(NCC1CCCCC1)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1 ZINC000065027229 569090277 /nfs/dbraw/zinc/09/02/77/569090277.db2.gz NLFTWVKYDQLEEI-UHFFFAOYSA-N 0 0 439.537 4.878 50 0 IJAARN COc1ccc(Cn2nnc3cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc32)cc1 ZINC000065030203 569091235 /nfs/dbraw/zinc/09/12/35/569091235.db2.gz CJCVAKUAICSISH-UHFFFAOYSA-N 0 0 440.547 4.583 50 0 IJAARN COc1cc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c(OC)cc1Cl ZINC000169759793 569094682 /nfs/dbraw/zinc/09/46/82/569094682.db2.gz QMRAEJOVVYXPLA-HXUWFJFHSA-N 0 0 448.306 4.731 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3ccc(F)cc3Cl)nc(N3CCCCCC3)c12 ZINC000065056589 569095257 /nfs/dbraw/zinc/09/52/57/569095257.db2.gz URLAWSGQTGNRTM-UHFFFAOYSA-N 0 0 431.899 4.670 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000065058725 569095506 /nfs/dbraw/zinc/09/55/06/569095506.db2.gz XPYDPQDSTRBOJU-QFIPXVFZSA-N 0 0 433.474 4.964 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cc(Cl)ccc3C)C2)c1 ZINC000065058818 569095553 /nfs/dbraw/zinc/09/55/53/569095553.db2.gz HXAOAJLKOXTDHP-HSZRJFAPSA-N 0 0 429.948 4.607 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766137 569096969 /nfs/dbraw/zinc/09/69/69/569096969.db2.gz VJJHFUVEQPWVQO-OAQYLSRUSA-N 0 0 427.932 4.783 50 0 IJAARN CCc1ccccc1NC(=O)COC(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000036391408 569097292 /nfs/dbraw/zinc/09/72/92/569097292.db2.gz LUOQOVNCWVNGCO-UHFFFAOYSA-N 0 0 447.516 4.726 50 0 IJAARN O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1)c1ccc(F)cc1 ZINC000065062695 569097334 /nfs/dbraw/zinc/09/73/34/569097334.db2.gz LXYUIVDCYGOBAU-UHFFFAOYSA-N 0 0 447.510 4.682 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)c(OC)c1 ZINC000065062971 569097724 /nfs/dbraw/zinc/09/77/24/569097724.db2.gz MWXBBKPKSTVGJL-UHFFFAOYSA-N 0 0 435.505 4.721 50 0 IJAARN O=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCN(c2ccccc2F)CC1 ZINC000065063017 569097757 /nfs/dbraw/zinc/09/77/57/569097757.db2.gz BTZWVINZPLPDCR-UHFFFAOYSA-N 0 0 434.496 4.567 50 0 IJAARN COc1ccc(Oc2cc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc2OC)cc1 ZINC000036395760 569098885 /nfs/dbraw/zinc/09/88/85/569098885.db2.gz JODKAORFHBBITB-IBGZPJMESA-N 0 0 442.512 4.834 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1cccc(Cl)c1 ZINC000065075154 569099573 /nfs/dbraw/zinc/09/95/73/569099573.db2.gz DIUWRNTUSLIXAT-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000036396896 569100017 /nfs/dbraw/zinc/10/00/17/569100017.db2.gz UEMHCLCWZFZZQE-UHFFFAOYSA-N 0 0 425.495 4.529 50 0 IJAARN Cc1ccccc1-n1nnc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1-c1ccncc1 ZINC000065083284 569102212 /nfs/dbraw/zinc/10/22/12/569102212.db2.gz DXPWVOKNKIXSBU-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1Cl ZINC000065084916 569102627 /nfs/dbraw/zinc/10/26/27/569102627.db2.gz GCIGWTPFIVIISB-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000065085399 569102785 /nfs/dbraw/zinc/10/27/85/569102785.db2.gz FVPKDOBKNBRUEF-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097960 569104342 /nfs/dbraw/zinc/10/43/42/569104342.db2.gz AQCXZTASALGRCO-UHFFFAOYSA-N 0 0 445.953 4.939 50 0 IJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCc3ccccc3F)CC2)cc1 ZINC000065102401 569105958 /nfs/dbraw/zinc/10/59/58/569105958.db2.gz MVTYCRZRVNJHGU-UHFFFAOYSA-N 0 0 434.515 4.503 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000065102385 569106025 /nfs/dbraw/zinc/10/60/25/569106025.db2.gz AKEBQZYTMLYDAJ-UHFFFAOYSA-N 0 0 438.915 4.786 50 0 IJAARN CC(=O)c1ccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000065102409 569106115 /nfs/dbraw/zinc/10/61/15/569106115.db2.gz DNEVNNBFTPGEKW-UHFFFAOYSA-N 0 0 446.576 4.994 50 0 IJAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102592 569106136 /nfs/dbraw/zinc/10/61/36/569106136.db2.gz PKYSBIHVUMWLDJ-UHFFFAOYSA-N 0 0 438.984 4.814 50 0 IJAARN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCCCC[C@@H]1c1ccncc1 ZINC000065107273 569106269 /nfs/dbraw/zinc/10/62/69/569106269.db2.gz HVMYQPJJNNAAJS-QGZVFWFLSA-N 0 0 425.330 4.992 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4C)CC3)no2)cc1 ZINC000065111937 569107761 /nfs/dbraw/zinc/10/77/61/569107761.db2.gz TVQQOEOIONQLIH-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)s1 ZINC000065129138 569108810 /nfs/dbraw/zinc/10/88/10/569108810.db2.gz SWEICDURZNHKOA-NRFANRHFSA-N 0 0 448.636 4.787 50 0 IJAARN CCCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000065130803 569109281 /nfs/dbraw/zinc/10/92/81/569109281.db2.gz YEMYUQGCLZRNTM-UHFFFAOYSA-N 0 0 433.556 4.630 50 0 IJAARN CSc1ccc(CNC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000065134147 569110047 /nfs/dbraw/zinc/11/00/47/569110047.db2.gz QWPWXTDWSAOUPT-UHFFFAOYSA-N 0 0 447.482 4.888 50 0 IJAARN COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 ZINC000065133966 569110049 /nfs/dbraw/zinc/11/00/49/569110049.db2.gz NAJMYRLDGGAOQG-UHFFFAOYSA-N 0 0 447.413 4.506 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc(F)cc1Cl ZINC000065136713 569110275 /nfs/dbraw/zinc/11/02/75/569110275.db2.gz WJGHFJYMAXHADR-OAHLLOKOSA-N 0 0 435.902 4.959 50 0 IJAARN O=C(CSc1nccc(N2CCc3ccccc3C2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000065151464 569111755 /nfs/dbraw/zinc/11/17/55/569111755.db2.gz CGDBITLAVUFYKT-UHFFFAOYSA-N 0 0 444.482 4.789 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@@](O)(c4cccc(F)c4)C3=O)c(C)o2)cc1 ZINC000065155220 569112509 /nfs/dbraw/zinc/11/25/09/569112509.db2.gz ILPUVOOBLZDTAB-SANMLTNESA-N 0 0 444.462 4.580 50 0 IJAARN CCCn1c(-c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)nc2cccnc21 ZINC000065172845 569113248 /nfs/dbraw/zinc/11/32/48/569113248.db2.gz GKJNAUAWYDHRQY-UHFFFAOYSA-N 0 0 443.526 4.610 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1 ZINC000065179579 569113548 /nfs/dbraw/zinc/11/35/48/569113548.db2.gz MFRJBYNUIXYZHO-MRXNPFEDSA-N 0 0 432.923 4.549 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1)N1CCCCC1 ZINC000065179761 569113565 /nfs/dbraw/zinc/11/35/65/569113565.db2.gz PNOQRGVKWXSCAL-UHFFFAOYSA-N 0 0 442.506 4.522 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3cccc(Cl)c3)cccn12 ZINC000065185273 569114265 /nfs/dbraw/zinc/11/42/65/569114265.db2.gz FELKERWLEQNTNV-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)cc1)N1CCCCC1 ZINC000065178493 569114331 /nfs/dbraw/zinc/11/43/31/569114331.db2.gz NPIAUAYEKFPOPI-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000065194797 569114798 /nfs/dbraw/zinc/11/47/98/569114798.db2.gz KCROHASJRNAMBC-UHFFFAOYSA-N 0 0 432.446 4.758 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(C)cc2)C3)cc1 ZINC000065201396 569116206 /nfs/dbraw/zinc/11/62/06/569116206.db2.gz GSQKFQFDJJUJFT-KRWDZBQOSA-N 0 0 434.561 4.755 50 0 IJAARN CCc1nn2c(nc(-c3ccccc3)c2CNC(=O)c2ccc(Br)cc2)s1 ZINC000065217782 569117140 /nfs/dbraw/zinc/11/71/40/569117140.db2.gz WPWPVBUBTMRYBX-UHFFFAOYSA-N 0 0 441.354 4.713 50 0 IJAARN CCn1cc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 ZINC000036613345 569123847 /nfs/dbraw/zinc/12/38/47/569123847.db2.gz DXCWLRWXPNLLRZ-INIZCTEOSA-N 0 0 442.567 4.681 50 0 IJAARN Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c32)n(C)n1 ZINC000036618333 569124275 /nfs/dbraw/zinc/12/42/75/569124275.db2.gz ZSOQVDRYGRHWDR-UHFFFAOYSA-N 0 0 427.439 4.990 50 0 IJAARN CCN1c2ccc(NC(=O)c3ccc(Br)o3)cc2Sc2ncccc2C1=O ZINC000065258442 569124461 /nfs/dbraw/zinc/12/44/61/569124461.db2.gz JQIQOOWYTMLXFT-UHFFFAOYSA-N 0 0 444.310 4.821 50 0 IJAARN COc1cccc(CC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c1 ZINC000065258547 569124565 /nfs/dbraw/zinc/12/45/65/569124565.db2.gz YLLLSSLWIPXFOI-UHFFFAOYSA-N 0 0 433.533 4.791 50 0 IJAARN O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2)NC1CCCC1 ZINC000008629276 569125654 /nfs/dbraw/zinc/12/56/54/569125654.db2.gz UGJXOQUYCVBSJV-OBGWFSINSA-N 0 0 442.515 4.643 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CCn1c2nn(C(C)C)cc2c(C(F)(F)F)cc1=O ZINC000036621503 569126182 /nfs/dbraw/zinc/12/61/82/569126182.db2.gz RPZXBMCSJIHOKM-UHFFFAOYSA-N 0 0 440.853 4.788 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)c(Cl)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731542 569126574 /nfs/dbraw/zinc/12/65/74/569126574.db2.gz BGHYNASSEVLZIS-QFIPXVFZSA-N 0 0 449.938 4.857 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc(O)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524731683 569126594 /nfs/dbraw/zinc/12/65/94/569126594.db2.gz HHOCKYFWKJSYOZ-QHCPKHFHSA-N 0 0 429.520 4.593 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(F)c(F)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524734443 569127711 /nfs/dbraw/zinc/12/77/11/569127711.db2.gz FITJVTSKRZPUPC-QFIPXVFZSA-N 0 0 435.474 4.776 50 0 IJAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000036697885 569133859 /nfs/dbraw/zinc/13/38/59/569133859.db2.gz FASUXZSZHUXNLJ-UHFFFAOYSA-N 0 0 433.537 4.908 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000065320201 569136025 /nfs/dbraw/zinc/13/60/25/569136025.db2.gz YTTVJFBRJHQSDS-UHFFFAOYSA-N 0 0 436.487 4.724 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065320724 569136246 /nfs/dbraw/zinc/13/62/46/569136246.db2.gz SJIXVXZGAAFQQC-FQEVSTJZSA-N 0 0 429.517 4.600 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322647 569136718 /nfs/dbraw/zinc/13/67/18/569136718.db2.gz SSDMCQGAJUAEIW-HXUWFJFHSA-N 0 0 447.926 4.702 50 0 IJAARN COc1ccc(Nc2c(-c3ccccc3O)nc3cnc(Br)cn32)cc1OC ZINC000065331635 569137311 /nfs/dbraw/zinc/13/73/11/569137311.db2.gz MVBYPNXMLYCRMM-UHFFFAOYSA-N 0 0 441.285 4.625 50 0 IJAARN CCOC(=O)Cc1csc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)n1 ZINC000036801888 569137977 /nfs/dbraw/zinc/13/79/77/569137977.db2.gz QTKRRCWNGQWISX-UHFFFAOYSA-N 0 0 447.607 4.720 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000065523825 569139153 /nfs/dbraw/zinc/13/91/53/569139153.db2.gz AQIGNBVMPNCKJI-UHFFFAOYSA-N 0 0 449.514 4.749 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3cnc(OC4CCOCC4)c(Cl)c3)sc2c1 ZINC000239611760 569139749 /nfs/dbraw/zinc/13/97/49/569139749.db2.gz FDRXWMNMSDMPDL-UHFFFAOYSA-N 0 0 433.917 4.554 50 0 IJAARN CN(C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1)C(=O)OC(C)(C)C ZINC000065578227 569139838 /nfs/dbraw/zinc/13/98/38/569139838.db2.gz SAUPVZDLFWXVAQ-OAQYLSRUSA-N 0 0 438.568 4.985 50 0 IJAARN CC[C@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1ccc(Br)cc1 ZINC000037117668 569140148 /nfs/dbraw/zinc/14/01/48/569140148.db2.gz DZLJUNKISDORGX-SFTDATJTSA-N 0 0 427.342 4.981 50 0 IJAARN Cc1ccc(C)n1-c1sc(C)c(C)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000170597528 569142156 /nfs/dbraw/zinc/14/21/56/569142156.db2.gz FZMUHPDAUGNJOT-MRXNPFEDSA-N 0 0 430.595 4.667 50 0 IJAARN CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3cnc(-c4ccoc4)s3)C2)CC1 ZINC000170602396 569143295 /nfs/dbraw/zinc/14/32/95/569143295.db2.gz WCISXNBIGMHKGR-UHFFFAOYSA-N 0 0 431.558 4.656 50 0 IJAARN CC(C)N(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037277233 569145247 /nfs/dbraw/zinc/14/52/47/569145247.db2.gz NKQVTHMFMWCBEY-UHFFFAOYSA-N 0 0 448.394 4.873 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000037276524 569145370 /nfs/dbraw/zinc/14/53/70/569145370.db2.gz MPVJQQIDZRETBY-OAQYLSRUSA-N 0 0 441.575 4.505 50 0 IJAARN Cc1ccc([C@H]2c3cc(OCC(=O)NC(C)C)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037281079 569146003 /nfs/dbraw/zinc/14/60/03/569146003.db2.gz MKUYGZUTOLFIJK-SANMLTNESA-N 0 0 434.580 4.563 50 0 IJAARN COc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccccc3)n2)cc1OC ZINC000037328485 569148343 /nfs/dbraw/zinc/14/83/43/569148343.db2.gz NDBYPXNLQCGPMB-UHFFFAOYSA-N 0 0 443.503 4.639 50 0 IJAARN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000170629125 569148872 /nfs/dbraw/zinc/14/88/72/569148872.db2.gz YDNCIVMAPTWPIY-IRXDYDNUSA-N 0 0 430.474 4.956 50 0 IJAARN COc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(-c3ccc(F)c(F)c3)on2)cc1 ZINC000071195114 569149547 /nfs/dbraw/zinc/14/95/47/569149547.db2.gz AUQIQVWVAJIWMP-UHFFFAOYSA-N 0 0 440.368 4.876 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc12 ZINC000009883993 569150183 /nfs/dbraw/zinc/15/01/83/569150183.db2.gz AFYPXRGSOJSRNE-UHFFFAOYSA-N 0 0 428.416 4.521 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000010025515 569151579 /nfs/dbraw/zinc/15/15/79/569151579.db2.gz QYKZLWWDIYYMQY-BSWQBHCVSA-N 0 0 447.554 4.687 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccccc1F ZINC000010060015 569152274 /nfs/dbraw/zinc/15/22/74/569152274.db2.gz CKLWWZTZUMMSNE-UHFFFAOYSA-N 0 0 428.485 4.586 50 0 IJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3OC)C[C@@H]2c2ccccc2)c1 ZINC000010060391 569152612 /nfs/dbraw/zinc/15/26/12/569152612.db2.gz KMZLTTWIRSLQHT-PKTZIBPZSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000010220160 569152853 /nfs/dbraw/zinc/15/28/53/569152853.db2.gz VTJDHLGAMDYPJW-UHFFFAOYSA-N 0 0 444.535 4.662 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010218970 569153599 /nfs/dbraw/zinc/15/35/99/569153599.db2.gz MVAOQUAYHSFHCP-UHFFFAOYSA-N 0 0 425.525 4.609 50 0 IJAARN Cc1ccc(C(=O)NCCc2ccc(Br)s2)cc1NC(=O)c1ccco1 ZINC000010500396 569154783 /nfs/dbraw/zinc/15/47/83/569154783.db2.gz HGYDSZXXSWMGNU-UHFFFAOYSA-N 0 0 433.327 4.637 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(F)c(Cl)c1 ZINC000013579643 569156286 /nfs/dbraw/zinc/15/62/86/569156286.db2.gz HRUOCXQRIUZTNZ-IAGOWNOFSA-N 0 0 444.915 4.666 50 0 IJAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c(OC)c1 ZINC000013610220 569156411 /nfs/dbraw/zinc/15/64/11/569156411.db2.gz FVWMDQUTWAZSII-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN CC1CCN(Cc2csc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)n2)CC1 ZINC000014527405 569159264 /nfs/dbraw/zinc/15/92/64/569159264.db2.gz ABZPFSNXCUNXJA-UHFFFAOYSA-N 0 0 430.574 4.974 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000089781078 569163036 /nfs/dbraw/zinc/16/30/36/569163036.db2.gz CWKQBNNPXQSIPS-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN COc1cccc(-c2nc(CSc3nc(-c4ccncc4)cc(=O)[nH]3)c(C)o2)c1OC ZINC000016840808 569163278 /nfs/dbraw/zinc/16/32/78/569163278.db2.gz PYJGTEWXHMLBPA-UHFFFAOYSA-N 0 0 436.493 4.517 50 0 IJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891099 569165725 /nfs/dbraw/zinc/16/57/25/569165725.db2.gz WOVOTASTWRZPLK-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891213 569165784 /nfs/dbraw/zinc/16/57/84/569165784.db2.gz SGWJIDQWSNWDNV-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CCC4CCCC4)ccc32)cc1 ZINC000016954412 569167522 /nfs/dbraw/zinc/16/75/22/569167522.db2.gz JXFCMVJMASVYAB-UHFFFAOYSA-N 0 0 442.581 4.746 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000016959586 569167954 /nfs/dbraw/zinc/16/79/54/569167954.db2.gz LHMOXXJDSRDCAD-UHFFFAOYSA-N 0 0 436.320 4.892 50 0 IJAARN COc1ccc(-c2cc(COC(=O)c3cnc(SC)n3-c3ccc(F)cc3)on2)cc1 ZINC000014707440 569168492 /nfs/dbraw/zinc/16/84/92/569168492.db2.gz RBUGRLMYUCZCDN-UHFFFAOYSA-N 0 0 439.468 4.754 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000016991316 569169564 /nfs/dbraw/zinc/16/95/64/569169564.db2.gz MKJMHGDPXBNSAJ-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)n1 ZINC000017013956 569170867 /nfs/dbraw/zinc/17/08/67/569170867.db2.gz OJPDDAWGIYQLHJ-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)ncn1 ZINC000037355869 569171184 /nfs/dbraw/zinc/17/11/84/569171184.db2.gz KMUJLWXDQYTMEJ-IBGZPJMESA-N 0 0 438.572 4.593 50 0 IJAARN Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C ZINC000017052748 569171979 /nfs/dbraw/zinc/17/19/79/569171979.db2.gz VDUMFVUSVRFSOM-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000017053132 569172010 /nfs/dbraw/zinc/17/20/10/569172010.db2.gz BKXGLIFUJMBIMD-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)NCc3ccc(=O)[nH]c3)cc12 ZINC000170633102 569172287 /nfs/dbraw/zinc/17/22/87/569172287.db2.gz QLHLZCOLTJPICH-UHFFFAOYSA-N 0 0 447.347 4.792 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@@H]1C ZINC000037356808 569172707 /nfs/dbraw/zinc/17/27/07/569172707.db2.gz BZMHVEWDBUBRFS-OALUTQOASA-N 0 0 428.552 4.970 50 0 IJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)cc1 ZINC000001120585 569176687 /nfs/dbraw/zinc/17/66/87/569176687.db2.gz IAILARNYPGRXHY-UHFFFAOYSA-N 0 0 447.560 4.987 50 0 IJAARN COc1cc(C=O)cc(I)c1OCCCOc1ccc(Cl)cc1 ZINC000002873854 569177535 /nfs/dbraw/zinc/17/75/35/569177535.db2.gz MHHWBIWFNLYLRX-UHFFFAOYSA-N 0 0 446.668 4.614 50 0 IJAARN CCCOc1c(Br)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OC ZINC000002081673 569177727 /nfs/dbraw/zinc/17/77/27/569177727.db2.gz SJKCQNQPZWNWCQ-SXGWCWSVSA-N 0 0 434.261 4.730 50 0 IJAARN C[C@H]1CN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C[C@H](c2ccccc2)O1 ZINC000170638257 569178574 /nfs/dbraw/zinc/17/85/74/569178574.db2.gz IOALYDHLWDOGPW-MGPUTAFESA-N 0 0 430.430 4.885 50 0 IJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002091835 569178728 /nfs/dbraw/zinc/17/87/28/569178728.db2.gz ZUIKATCYWPUHEE-FQEVSTJZSA-N 0 0 437.492 4.890 50 0 biogenic IJAARN CC[C@@H](C)N1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002097263 569179450 /nfs/dbraw/zinc/17/94/50/569179450.db2.gz XDBHFLWZLDVQGE-RXMJPHHWSA-N 0 0 429.564 4.775 50 0 biogenic IJAARN CCCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc(Cl)cc2)C1=O ZINC000002099345 569179544 /nfs/dbraw/zinc/17/95/44/569179544.db2.gz ZPCKPGQHIZGUAT-ZJSXRUAMSA-N 0 0 435.955 4.696 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1OC ZINC000002102393 569179812 /nfs/dbraw/zinc/17/98/12/569179812.db2.gz BZVZHZILSHERFY-DEOSSOPVSA-N 0 0 441.483 4.598 50 0 biogenic IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000862956 569180320 /nfs/dbraw/zinc/18/03/20/569180320.db2.gz ORBWKCAHYLXCJY-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCn1c(=O)c2c(C)c(C)sc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002233933 569180702 /nfs/dbraw/zinc/18/07/02/569180702.db2.gz BJFJHJWLVQWQMF-UHFFFAOYSA-N 0 0 425.938 4.618 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002415078 569180748 /nfs/dbraw/zinc/18/07/48/569180748.db2.gz DBSSAYNFZAKAJJ-UHFFFAOYSA-N 0 0 427.595 4.704 50 0 IJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@H](C)c3ccccc3)CC(=O)N12 ZINC000002108438 569181691 /nfs/dbraw/zinc/18/16/91/569181691.db2.gz IQFIOUOQMISOIJ-OKMGNEIESA-N 0 0 449.554 4.922 50 0 biogenic IJAARN O=C1CN(C2CCCCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002113312 569182102 /nfs/dbraw/zinc/18/21/02/569182102.db2.gz YAQKSTRKTJPXOJ-RPLLCQBOSA-N 0 0 441.575 4.966 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000002147114 569187008 /nfs/dbraw/zinc/18/70/08/569187008.db2.gz BFCCXVNHMMWKKU-AWEZNQCLSA-N 0 0 443.883 4.619 50 0 biogenic IJAARN C[C@H](CCC(=O)NC1CC1)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O ZINC000252528039 569189763 /nfs/dbraw/zinc/18/97/63/569189763.db2.gz DYVCWIDNNCVUOG-GUBVTQIWSA-N 0 0 431.661 4.672 50 0 IJAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCCCc1nnc2ccccn21 ZINC000252537139 569190037 /nfs/dbraw/zinc/19/00/37/569190037.db2.gz KKQCGKMOVKWZEP-UHFFFAOYSA-N 0 0 444.564 4.828 50 0 IJAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380775 569191921 /nfs/dbraw/zinc/19/19/21/569191921.db2.gz CTSGZTXXEMLLNA-JOCHJYFZSA-N 0 0 443.547 4.981 50 0 IJAARN O=C(CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21)NC1CC1 ZINC000037384442 569192083 /nfs/dbraw/zinc/19/20/83/569192083.db2.gz GIGANEGELCLRRV-UHFFFAOYSA-N 0 0 426.520 4.608 50 0 IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000037385359 569192399 /nfs/dbraw/zinc/19/23/99/569192399.db2.gz NCIKWQRMFCWYBB-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN COCCNC(=O)[C@H](c1ccccc1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396828 569192954 /nfs/dbraw/zinc/19/29/54/569192954.db2.gz FVPUTFMUFAJLMQ-DEOSSOPVSA-N 0 0 433.939 4.633 50 0 IJAARN Cc1cccc(-n2c(SCc3ccc(C(=O)NC4CC4)cc3)nnc2-c2ccncc2)c1 ZINC000037399007 569194439 /nfs/dbraw/zinc/19/44/39/569194439.db2.gz HIWNEEQVAKBFCP-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc(CN(CC(C)C)C(=O)CC(C)(C)C)cc2)cc1 ZINC000037399974 569194791 /nfs/dbraw/zinc/19/47/91/569194791.db2.gz WOOHTTYEUXQXLQ-UHFFFAOYSA-N 0 0 447.597 4.884 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC(C)C)C(=O)CC(C)(C)C)cc1 ZINC000037403158 569195200 /nfs/dbraw/zinc/19/52/00/569195200.db2.gz VUJZMPIAJRDLSI-UHFFFAOYSA-N 0 0 447.597 4.884 50 0 IJAARN CC(C)C(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000037424113 569195604 /nfs/dbraw/zinc/19/56/04/569195604.db2.gz XXJCSPWDDTXCGK-UHFFFAOYSA-N 0 0 427.925 4.640 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)CC(C)C)cc1 ZINC000037427946 569195900 /nfs/dbraw/zinc/19/59/00/569195900.db2.gz TWXVEPHXGNSFDB-AREMUKBSSA-N 0 0 447.554 4.666 50 0 IJAARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)C1 ZINC000037436118 569196120 /nfs/dbraw/zinc/19/61/20/569196120.db2.gz MKYYOWKKLIMKKT-GFCCVEGCSA-N 0 0 441.384 4.572 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442350 569197082 /nfs/dbraw/zinc/19/70/82/569197082.db2.gz LITGQTKPIVRAHA-LJQANCHMSA-N 0 0 437.437 4.958 50 0 IJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1cccc(Br)c1 ZINC000037523259 569198317 /nfs/dbraw/zinc/19/83/17/569198317.db2.gz GDWOJAOOABMEAV-QGZVFWFLSA-N 0 0 449.348 4.994 50 0 IJAARN Cc1cc2c(cc(C(=O)NCc3ccc4c(c3)OCO4)n2CCOc2ccccc2)s1 ZINC000037527027 569199220 /nfs/dbraw/zinc/19/92/20/569199220.db2.gz CEXXSYABQAYBRA-UHFFFAOYSA-N 0 0 434.517 4.749 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000037541705 569199709 /nfs/dbraw/zinc/19/97/09/569199709.db2.gz BRHLWYMHFCIZOT-AWEZNQCLSA-N 0 0 437.334 4.562 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(F)cc1 ZINC000037546944 569199770 /nfs/dbraw/zinc/19/97/70/569199770.db2.gz BMDCQBFAQMKHJZ-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000037541707 569199804 /nfs/dbraw/zinc/19/98/04/569199804.db2.gz BRHLWYMHFCIZOT-CQSZACIVSA-N 0 0 437.334 4.562 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1cccc(F)c1 ZINC000037546816 569200204 /nfs/dbraw/zinc/20/02/04/569200204.db2.gz IKSWSGITWFBFFO-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccc(C)cc2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037546766 569200214 /nfs/dbraw/zinc/20/02/14/569200214.db2.gz KPCVAGVTMIZQGX-QFIPXVFZSA-N 0 0 433.552 4.818 50 0 IJAARN COc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCC2CCCCC2)CC1 ZINC000037554091 569200349 /nfs/dbraw/zinc/20/03/49/569200349.db2.gz ADUNIMACSJZFPW-UHFFFAOYSA-N 0 0 449.595 4.729 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)N1CCCC1 ZINC000037556034 569200579 /nfs/dbraw/zinc/20/05/79/569200579.db2.gz LCVGULOJRYHVQH-UHFFFAOYSA-N 0 0 434.486 4.977 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(CCCOC(C)C)C3=O ZINC000002210616 569201114 /nfs/dbraw/zinc/20/11/14/569201114.db2.gz BTPVPICTCMUBGF-OAQYLSRUSA-N 0 0 441.911 4.821 50 0 IJAARN COc1cc(-c2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc(OC)c1OC ZINC000002214007 569202276 /nfs/dbraw/zinc/20/22/76/569202276.db2.gz KAXRAJGTQITKGJ-UHFFFAOYSA-N 0 0 437.308 4.852 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602388 569202353 /nfs/dbraw/zinc/20/23/53/569202353.db2.gz GOILSACNRANAOR-NIYFSFCBSA-N 0 0 446.547 4.556 50 0 IJAARN CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccccc3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602352 569202396 /nfs/dbraw/zinc/20/23/96/569202396.db2.gz YCADFJMGLOAXNO-HRFSGMKKSA-N 0 0 442.559 4.573 50 0 IJAARN Cc1ccc(C(=O)N2CCO[C@@H](CN(CC(C)C)C(=O)c3cccc4ccccc43)C2)cc1 ZINC000037609842 569203045 /nfs/dbraw/zinc/20/30/45/569203045.db2.gz BMUBOVHYTRBCKB-XMMPIXPASA-N 0 0 444.575 4.788 50 0 IJAARN CC(C)CN(C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037611720 569203067 /nfs/dbraw/zinc/20/30/67/569203067.db2.gz WIJOPSGOPVBAQX-OAQYLSRUSA-N 0 0 447.938 4.510 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1C ZINC000002216404 569203698 /nfs/dbraw/zinc/20/36/98/569203698.db2.gz OKBLAMASGFAMHZ-UHFFFAOYSA-N 0 0 438.578 4.919 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccccc1-c1ccccc1 ZINC000007824001 569204604 /nfs/dbraw/zinc/20/46/04/569204604.db2.gz UKOLRFRLNWPIGS-UHFFFAOYSA-N 0 0 425.532 4.910 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 ZINC000002222360 569204613 /nfs/dbraw/zinc/20/46/13/569204613.db2.gz LKUFGZQKZXQMMJ-UHFFFAOYSA-N 0 0 442.544 4.914 50 0 IJAARN Cc1ccc(OCCCOc2ccccc2C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252669806 569209972 /nfs/dbraw/zinc/20/99/72/569209972.db2.gz ISMAEGQYXLLTKX-UHFFFAOYSA-N 0 0 442.540 4.613 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1 ZINC000002713169 569212722 /nfs/dbraw/zinc/21/27/22/569212722.db2.gz VUYRMNMISXNBAV-UHFFFAOYSA-N 0 0 439.943 4.669 50 0 IJAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1OCC ZINC000002724685 569212775 /nfs/dbraw/zinc/21/27/75/569212775.db2.gz KRUJRZLJGFOOEG-RUZDIDTESA-N 0 0 448.494 4.807 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)c1 ZINC000002242218 569213617 /nfs/dbraw/zinc/21/36/17/569213617.db2.gz FBGORWDTXUPADB-UHFFFAOYSA-N 0 0 438.578 4.919 50 0 IJAARN CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002254480 569216707 /nfs/dbraw/zinc/21/67/07/569216707.db2.gz CLENGINBORWBBE-AWEZNQCLSA-N 0 0 449.001 4.755 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000027527798 569263442 /nfs/dbraw/zinc/26/34/42/569263442.db2.gz UOGHMBVCLXDKEO-BUHFOSPRSA-N 0 0 431.879 4.509 50 0 IJAARN COc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002307830 569271979 /nfs/dbraw/zinc/27/19/79/569271979.db2.gz RDMPTOUCFQDLDH-WQRHYEAKSA-N 0 0 427.884 4.916 50 0 IJAARN CCOC(=O)[C@](NC(=O)Nc1ccccc1)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000002311329 569272825 /nfs/dbraw/zinc/27/28/25/569272825.db2.gz YIJKMDQLVKPBLI-QGZVFWFLSA-N 0 0 449.351 4.761 50 0 IJAARN CCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002319606 569273511 /nfs/dbraw/zinc/27/35/11/569273511.db2.gz XLQUTXAXXDCQCU-RPBOFIJWSA-N 0 0 440.543 4.942 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002336990 569274782 /nfs/dbraw/zinc/27/47/82/569274782.db2.gz BKSFOECYYFGFHG-DEOSSOPVSA-N 0 0 425.484 4.980 50 0 IJAARN COC(=O)CSc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000002336036 569274802 /nfs/dbraw/zinc/27/48/02/569274802.db2.gz GHTPSHLCUKEVJZ-UHFFFAOYSA-N 0 0 433.624 4.914 50 0 IJAARN CCOc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000055056209 569282317 /nfs/dbraw/zinc/28/23/17/569282317.db2.gz YONCXMVGCRLLGN-UHFFFAOYSA-N 0 0 442.774 4.806 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000253471829 569282585 /nfs/dbraw/zinc/28/25/85/569282585.db2.gz FXFWHJPICPBOPA-NRFANRHFSA-N 0 0 428.897 4.624 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253530692 569283839 /nfs/dbraw/zinc/28/38/39/569283839.db2.gz PZNPHSFXILSZTM-PNZYLPRPSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002372538 569289218 /nfs/dbraw/zinc/28/92/18/569289218.db2.gz NMWPBVAOAYOZDC-FQEVSTJZSA-N 0 0 449.503 4.591 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1)NCc1ccco1 ZINC000009126344 569293783 /nfs/dbraw/zinc/29/37/83/569293783.db2.gz FNFQFAZNINPSOO-VKAVYKQESA-N 0 0 442.471 4.771 50 0 IJAARN COc1cc(/C=C/C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc2c1OCCO2 ZINC000009245196 569294673 /nfs/dbraw/zinc/29/46/73/569294673.db2.gz WVFXAJOJCPEWGS-DGOUCMFKSA-N 0 0 425.481 4.586 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000009445359 569296512 /nfs/dbraw/zinc/29/65/12/569296512.db2.gz ATJGCCUEQJQMSG-ZDUSSCGKSA-N 0 0 427.353 4.666 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)C1 ZINC000009445357 569296517 /nfs/dbraw/zinc/29/65/17/569296517.db2.gz ATJGCCUEQJQMSG-CYBMUJFWSA-N 0 0 427.353 4.666 50 0 IJAARN Cc1cc(C)cc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002394150 569298104 /nfs/dbraw/zinc/29/81/04/569298104.db2.gz ORSNJNVUUWULCM-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN CC(C)CCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002410839 569300966 /nfs/dbraw/zinc/30/09/66/569300966.db2.gz MMYAEEMHUNYQQT-SFHVURJKSA-N 0 0 429.568 4.964 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002423276 569302208 /nfs/dbraw/zinc/30/22/08/569302208.db2.gz OFLRGKAEBZKDBM-RBUKOAKNSA-N 0 0 425.920 4.681 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000002423222 569302266 /nfs/dbraw/zinc/30/22/66/569302266.db2.gz PRUTXULELFPVEE-UHFFFAOYSA-N 0 0 430.533 4.947 50 0 IJAARN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002429456 569302895 /nfs/dbraw/zinc/30/28/95/569302895.db2.gz QNVHLVGBGAZRLQ-UHFFFAOYSA-N 0 0 448.935 4.701 50 0 IJAARN COc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)n2C)cc1 ZINC000012955786 569305324 /nfs/dbraw/zinc/30/53/24/569305324.db2.gz DQFBEXMZMLKKNU-UHFFFAOYSA-N 0 0 442.548 4.759 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000002451289 569305549 /nfs/dbraw/zinc/30/55/49/569305549.db2.gz RXQCNBUQPKVPIB-UHFFFAOYSA-N 0 0 425.739 4.721 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C ZINC000013004209 569306326 /nfs/dbraw/zinc/30/63/26/569306326.db2.gz AQEZYXBQKDVOGL-NSHDSACASA-N 0 0 425.710 4.775 50 0 IJAARN CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)Nc1cc(Cl)ccc1C ZINC000013031822 569307461 /nfs/dbraw/zinc/30/74/61/569307461.db2.gz CMZDGSJZIFWSKZ-UHFFFAOYSA-N 0 0 427.854 4.566 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)COC(=O)Cc3ccccc3F)n(-c3ccccc3)n2)cc1 ZINC000013063080 569308621 /nfs/dbraw/zinc/30/86/21/569308621.db2.gz MTKUXUSREFFDPR-UHFFFAOYSA-N 0 0 443.478 4.711 50 0 IJAARN COc1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC000013100838 569309995 /nfs/dbraw/zinc/30/99/95/569309995.db2.gz MMHLVZZAOJFIFN-UHFFFAOYSA-N 0 0 441.455 4.838 50 0 IJAARN Cc1nc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(Cl)cc1Cl ZINC000013112593 569310534 /nfs/dbraw/zinc/31/05/34/569310534.db2.gz VRMHTDSIELDAOW-UHFFFAOYSA-N 0 0 445.335 4.557 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@H](C)C(=O)N1CCc2ccccc21 ZINC000013116906 569310861 /nfs/dbraw/zinc/31/08/61/569310861.db2.gz KLQYFWCJJXNYHI-OAHLLOKOSA-N 0 0 441.984 4.776 50 0 IJAARN COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)NCc3ccccc3)c2c1 ZINC000013283394 569312709 /nfs/dbraw/zinc/31/27/09/569312709.db2.gz BTPUNJLDMNQMLX-UHFFFAOYSA-N 0 0 444.604 4.999 50 0 IJAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456473 569312716 /nfs/dbraw/zinc/31/27/16/569312716.db2.gz WQWAZSZHKKDCBS-NRFANRHFSA-N 0 0 430.813 4.941 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456685 569312887 /nfs/dbraw/zinc/31/28/87/569312887.db2.gz YXPWUHCNIWJEOQ-OAQYLSRUSA-N 0 0 439.284 4.772 50 0 IJAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000013359685 569313924 /nfs/dbraw/zinc/31/39/24/569313924.db2.gz UTXYJXZXZNXXEY-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN CCS(=O)(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000328596982 569317973 /nfs/dbraw/zinc/31/79/73/569317973.db2.gz CCSJPQNFJOIRJK-IBGZPJMESA-N 0 0 443.956 4.706 50 0 IJAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078729638 569318696 /nfs/dbraw/zinc/31/86/96/569318696.db2.gz FRBXVHPTVVPPBX-BJKOFHAPSA-N 0 0 444.531 4.513 50 0 IJAARN COc1cccc(CO[C@H](C)C(=O)N2CCC(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC000078868990 569319462 /nfs/dbraw/zinc/31/94/62/569319462.db2.gz VVVGTRKCICYJQN-HXUWFJFHSA-N 0 0 444.531 4.570 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000078877966 569319876 /nfs/dbraw/zinc/31/98/76/569319876.db2.gz HOCPUOZPXTZTGD-UHFFFAOYSA-N 0 0 444.304 4.602 50 0 IJAARN CCCCCC[C@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1C(=O)OC ZINC000078899415 569320115 /nfs/dbraw/zinc/32/01/15/569320115.db2.gz MSALYGGFMQJCPE-KRWDZBQOSA-N 0 0 437.544 4.533 50 0 IJAARN CCOc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc(OCC)c1OCC ZINC000078967006 569320649 /nfs/dbraw/zinc/32/06/49/569320649.db2.gz VQKXAALWEVTYLV-NZQKXSOJSA-N 0 0 427.541 4.841 50 0 IJAARN COc1ccc(OCCOc2ccccc2OC)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000013940133 569321494 /nfs/dbraw/zinc/32/14/94/569321494.db2.gz RHSMHMLKLMWUHK-HEHNFIMWSA-N 0 0 445.471 4.506 50 0 IJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078996257 569321706 /nfs/dbraw/zinc/32/17/06/569321706.db2.gz XQFCLUDGTTZVHK-ZWKOTPCHSA-N 0 0 442.575 4.729 50 0 IJAARN CN(C)C(=O)Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000079019598 569322418 /nfs/dbraw/zinc/32/24/18/569322418.db2.gz OGRIDCBGDXZFRS-QFIPXVFZSA-N 0 0 449.530 4.606 50 0 IJAARN Cc1nn(C)c2sc(C(=O)N3c4ccccc4N(Cc4ccccc4)C(=O)C[C@@H]3C)cc12 ZINC000079025277 569322785 /nfs/dbraw/zinc/32/27/85/569322785.db2.gz GUPDTRNFCVSBQY-INIZCTEOSA-N 0 0 444.560 4.915 50 0 IJAARN Cc1cc(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)n[nH]1 ZINC000079103321 569325738 /nfs/dbraw/zinc/32/57/38/569325738.db2.gz DUHJXCDBFXHKGS-UHFFFAOYSA-N 0 0 448.504 4.564 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccc(OC)c2)cc1 ZINC000079190685 569327915 /nfs/dbraw/zinc/32/79/15/569327915.db2.gz SEMOJFXFPCQXJH-GOSISDBHSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN O=C(Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)C(c1ccccc1)c1ccccc1 ZINC000019796409 569329339 /nfs/dbraw/zinc/32/93/39/569329339.db2.gz HTONTEKSQUBFCN-UHFFFAOYSA-N 0 0 441.512 4.912 50 0 IJAARN CCCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1cccc(Cl)c1 ZINC000020104580 569334140 /nfs/dbraw/zinc/33/41/40/569334140.db2.gz ONXMKFLVUNTOGW-UHFFFAOYSA-N 0 0 428.916 4.749 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)n2nc(C(F)(F)F)nc2N1 ZINC000020134488 569335707 /nfs/dbraw/zinc/33/57/07/569335707.db2.gz MPXFEKOIFOCCML-CQSZACIVSA-N 0 0 439.850 4.939 50 0 IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000020180934 569355240 /nfs/dbraw/zinc/35/52/40/569355240.db2.gz RKJUNJUPCGJECS-QRAQQQEWSA-N 0 0 436.577 4.870 50 0 IJAARN C[C@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288872 569359325 /nfs/dbraw/zinc/35/93/25/569359325.db2.gz DCVOMSOFFQCGOX-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)cc1OC ZINC000020380385 569362479 /nfs/dbraw/zinc/36/24/79/569362479.db2.gz HCHHHASYLWEUMI-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN Cc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000020379959 569362520 /nfs/dbraw/zinc/36/25/20/569362520.db2.gz DKCXKFAOWAOPNI-INIZCTEOSA-N 0 0 429.847 4.625 50 0 IJAARN C[C@H](Nc1nc(-c2ccncc2)nc2ccccc21)[C@H](O)c1ccc(Br)cc1 ZINC000095389981 569363412 /nfs/dbraw/zinc/36/34/12/569363412.db2.gz QIXALUGVHRCDFW-XOBRGWDASA-N 0 0 435.325 4.988 50 0 IJAARN COc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000020414507 569364287 /nfs/dbraw/zinc/36/42/87/569364287.db2.gz IKTYXVZGQUHIKO-UHFFFAOYSA-N 0 0 430.464 4.612 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1ccc2nccnc2c1)C(F)(F)F ZINC000095408859 569365035 /nfs/dbraw/zinc/36/50/35/569365035.db2.gz ZFMVNEWTIOGJNG-HXUWFJFHSA-N 0 0 426.398 4.893 50 0 IJAARN O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000095410011 569365186 /nfs/dbraw/zinc/36/51/86/569365186.db2.gz WZGHVLDEKYYSEZ-VWLOTQADSA-N 0 0 446.547 4.998 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)N[C@H](C)CCc2ccco2)c2nc(C)cc(C)c12 ZINC000020437730 569365622 /nfs/dbraw/zinc/36/56/22/569365622.db2.gz CYRADLQTXJMQPI-GOSISDBHSA-N 0 0 446.551 4.844 50 0 IJAARN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000095434543 569366446 /nfs/dbraw/zinc/36/64/46/569366446.db2.gz YIJZRQQWWPXCNZ-UONOGXRCSA-N 0 0 435.977 4.839 50 0 IJAARN O=C(NCCc1csc(-c2ccccc2Cl)n1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000095443905 569366800 /nfs/dbraw/zinc/36/68/00/569366800.db2.gz SVGYZGBZAPFOMH-MSOLQXFVSA-N 0 0 446.016 4.551 50 0 IJAARN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000095455861 569368674 /nfs/dbraw/zinc/36/86/74/569368674.db2.gz OOECSKZFFVGRPU-JTHBVZDNSA-N 0 0 447.535 4.714 50 0 IJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475027 569372734 /nfs/dbraw/zinc/37/27/34/569372734.db2.gz OJAXOPYCUPNWGW-ORAYPTAESA-N 0 0 447.557 4.631 50 0 IJAARN COc1cc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000095480299 569373924 /nfs/dbraw/zinc/37/39/24/569373924.db2.gz PZXYUATUFSRMAE-QGZVFWFLSA-N 0 0 428.916 4.980 50 0 IJAARN CC1=C(CC(=O)Nc2cnn(C)c2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000095480662 569373942 /nfs/dbraw/zinc/37/39/42/569373942.db2.gz YMFRMDBTSNRJFK-SEJSTGAISA-N 0 0 435.524 4.653 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC1(c2ccc(Br)s2)CC1 ZINC000095941502 569375418 /nfs/dbraw/zinc/37/54/18/569375418.db2.gz UXXTZUPQOWFQNQ-UHFFFAOYSA-N 0 0 444.192 4.799 50 0 IJAARN Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(OC4CCOCC4)c(C)c3)C2)cc1 ZINC000095942672 569375571 /nfs/dbraw/zinc/37/55/71/569375571.db2.gz VMIAWAXZJKUYPA-QHCPKHFHSA-N 0 0 437.584 4.994 50 0 IJAARN CCCCc1nnc(NC(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)s1 ZINC000095948040 569376441 /nfs/dbraw/zinc/37/64/41/569376441.db2.gz FYCZJAVAOSFPCL-VAWYXSNFSA-N 0 0 427.555 4.674 50 0 IJAARN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1cccc(Cl)c1Cl ZINC000096024432 569380533 /nfs/dbraw/zinc/38/05/33/569380533.db2.gz KKUGXNMDVGCAOG-UHFFFAOYSA-N 0 0 437.352 4.923 50 0 IJAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C\c2c(Cl)nc3sccn23)cc1F ZINC000096055634 569381067 /nfs/dbraw/zinc/38/10/67/569381067.db2.gz KYUDHPUNFOHQAI-FJOGCWAESA-N 0 0 429.908 4.573 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1C1=Cc2ccccc2OC1 ZINC000096115501 569383260 /nfs/dbraw/zinc/38/32/60/569383260.db2.gz QUSRTUXFOXMSAD-WIOPSUGQSA-N 0 0 437.451 4.752 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(Br)c2)S1 ZINC000096117260 569384162 /nfs/dbraw/zinc/38/41/62/569384162.db2.gz FOEGDMFUOOPDHB-ZBFHGGJFSA-N 0 0 436.375 4.955 50 0 IJAARN COC1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 ZINC000096122402 569385270 /nfs/dbraw/zinc/38/52/70/569385270.db2.gz YHAWEICSUONPSK-UHFFFAOYSA-N 0 0 448.894 4.775 50 0 IJAARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(I)cc2)c(C)c1 ZINC000096137051 569385879 /nfs/dbraw/zinc/38/58/79/569385879.db2.gz QTXVFFYFPMNFCP-CMDGGOBGSA-N 0 0 427.307 4.629 50 0 IJAARN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000096183750 569386098 /nfs/dbraw/zinc/38/60/98/569386098.db2.gz ICWSHNFIPXHIIW-RUZDIDTESA-N 0 0 438.568 4.538 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1)c1ccco1 ZINC000096203350 569386299 /nfs/dbraw/zinc/38/62/99/569386299.db2.gz WQSOPQHECYGSLX-KRWDZBQOSA-N 0 0 438.281 4.806 50 0 IJAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096222137 569386971 /nfs/dbraw/zinc/38/69/71/569386971.db2.gz SBCIBLCFTUJDCW-NRFANRHFSA-N 0 0 430.504 4.718 50 0 biogenic IJAARN O=C(C1CCCC1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000096277868 569388856 /nfs/dbraw/zinc/38/88/56/569388856.db2.gz GTFYVPVUBGVFQA-UHFFFAOYSA-N 0 0 444.329 4.854 50 0 IJAARN CCn1c(C(=O)NC[C@@]2(C)CCCO2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000096278549 569389081 /nfs/dbraw/zinc/38/90/81/569389081.db2.gz NGQQKNDTESRHAT-AREMUKBSSA-N 0 0 433.552 4.829 50 0 IJAARN O=C(NCc1ccco1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000096280519 569389540 /nfs/dbraw/zinc/38/95/40/569389540.db2.gz QKKSREUBXWHHSX-VGOFRKELSA-N 0 0 439.462 4.859 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CCCC1)CC2)C(=O)NC1CC1 ZINC000096281149 569389788 /nfs/dbraw/zinc/38/97/88/569389788.db2.gz OSJIQUYMXCKFQV-IZZNHLLZSA-N 0 0 446.591 4.787 50 0 IJAARN Cc1cccc(-n2c(SCc3ccccc3C(=O)NC3CC3)nnc2-c2cccnc2)c1 ZINC000096288669 569390478 /nfs/dbraw/zinc/39/04/78/569390478.db2.gz UBVCUCKEEUBLRP-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN CC(C)CN(Cc1cc(Cl)ccc1OS(C)(=O)=O)C(=O)c1ccccc1Cl ZINC000096292300 569391270 /nfs/dbraw/zinc/39/12/70/569391270.db2.gz VPHQBCHMMRFYTN-UHFFFAOYSA-N 0 0 430.353 4.630 50 0 IJAARN CCCC1=NS(=O)(=O)c2cc(NC(=O)c3ccc(OC)cc3)ccc2N1c1ccccc1 ZINC000096293434 569391563 /nfs/dbraw/zinc/39/15/63/569391563.db2.gz UGLJTVORYZDOFK-UHFFFAOYSA-N 0 0 449.532 4.987 50 0 IJAARN COc1cc(OC)cc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3ccc(C)cc3)n2)c1 ZINC000096293511 569391583 /nfs/dbraw/zinc/39/15/83/569391583.db2.gz BTMHXLGXEAIHON-HSZRJFAPSA-N 0 0 443.503 4.776 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096293710 569391700 /nfs/dbraw/zinc/39/17/00/569391700.db2.gz LLOITBCRZHFTNS-OAQYLSRUSA-N 0 0 428.916 4.549 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)cc1 ZINC000096294389 569391766 /nfs/dbraw/zinc/39/17/66/569391766.db2.gz DLRQDJHZLCVCJP-XMMPIXPASA-N 0 0 447.485 4.723 50 0 IJAARN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](O)c1ccc(OCCc3ccccc3)cc1O2 ZINC000096319618 569393957 /nfs/dbraw/zinc/39/39/57/569393957.db2.gz MPYDYYQIRLHPIQ-SQJMNOBHSA-N 0 0 425.525 4.504 50 0 IJAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccs4)no3)ccn2n1 ZINC000096322287 569394462 /nfs/dbraw/zinc/39/44/62/569394462.db2.gz ZBZGWWOSJYNKQS-UHFFFAOYSA-N 0 0 447.520 4.502 50 0 IJAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc(Cn2ccnc2)cc1 ZINC000096358090 569397361 /nfs/dbraw/zinc/39/73/61/569397361.db2.gz YYMPQEUDBNRVOY-UHFFFAOYSA-N 0 0 441.516 4.886 50 0 IJAARN CC[C@@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1cccs1 ZINC000096372453 569397875 /nfs/dbraw/zinc/39/78/75/569397875.db2.gz LQQGJFJPAXOVQK-LJQANCHMSA-N 0 0 444.560 4.635 50 0 IJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)[nH]n2)c1 ZINC000096386797 569398790 /nfs/dbraw/zinc/39/87/90/569398790.db2.gz BAKHCOBLSDKBTN-UHFFFAOYSA-N 0 0 436.512 4.514 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000096387129 569398874 /nfs/dbraw/zinc/39/88/74/569398874.db2.gz SYRGEIFTDPLCAZ-QVKFZJNVSA-N 0 0 435.911 4.713 50 0 IJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000096387122 569398887 /nfs/dbraw/zinc/39/88/87/569398887.db2.gz MXMFGBNYBIQUJZ-LJQANCHMSA-N 0 0 426.303 4.796 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)cc1 ZINC000096397295 569399435 /nfs/dbraw/zinc/39/94/35/569399435.db2.gz JHOAAMIGZSOPPA-UHFFFAOYSA-N 0 0 430.508 4.701 50 0 IJAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)oc2C)n1 ZINC000096397292 569399467 /nfs/dbraw/zinc/39/94/67/569399467.db2.gz REZVJORDTMJQJU-UHFFFAOYSA-N 0 0 429.524 4.830 50 0 IJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2s1 ZINC000096399737 569400310 /nfs/dbraw/zinc/40/03/10/569400310.db2.gz NAMVAKSQYXZQQH-UHFFFAOYSA-N 0 0 425.482 4.648 50 0 IJAARN CCn1c(-c2cc(NC(=O)c3ccc(Br)o3)n[nH]2)cc2c1cccc2OC ZINC000096400290 569400383 /nfs/dbraw/zinc/40/03/83/569400383.db2.gz ZQJSITUCFUZSAI-UHFFFAOYSA-N 0 0 429.274 4.668 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000096402955 569400550 /nfs/dbraw/zinc/40/05/50/569400550.db2.gz YMGDGUPCIFLPMT-DKCNIUJXSA-N 0 0 445.563 4.679 50 0 IJAARN Cc1cccc(N2CCN(c3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)CC2)c1C ZINC000096477738 569400915 /nfs/dbraw/zinc/40/09/15/569400915.db2.gz KFMVPLFDFBXXBX-UHFFFAOYSA-N 0 0 444.966 4.983 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000097161255 569403133 /nfs/dbraw/zinc/40/31/33/569403133.db2.gz ZBYYGHXNZNHGBB-QGZVFWFLSA-N 0 0 449.461 4.864 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000097161256 569403159 /nfs/dbraw/zinc/40/31/59/569403159.db2.gz ZBYYGHXNZNHGBB-KRWDZBQOSA-N 0 0 449.461 4.864 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)c(C(=O)C(F)(F)F)s2)cc1 ZINC000002476092 569404365 /nfs/dbraw/zinc/40/43/65/569404365.db2.gz BKOURXXSVKIDIG-UHFFFAOYSA-N 0 0 440.424 4.656 50 0 IJAARN COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002501339 569405894 /nfs/dbraw/zinc/40/58/94/569405894.db2.gz USRWMKYGMDXBTR-HSZRJFAPSA-N 0 0 441.574 4.807 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000002541813 569408949 /nfs/dbraw/zinc/40/89/49/569408949.db2.gz OZXGQWJLYOYZLQ-UHFFFAOYSA-N 0 0 436.487 4.867 50 0 IJAARN Cc1cc(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)c(C(C)C)cc1Br ZINC000028232679 569409273 /nfs/dbraw/zinc/40/92/73/569409273.db2.gz MKEGUFFQLZVBHN-CQSZACIVSA-N 0 0 440.363 4.601 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2F)cc1 ZINC000028368652 569409781 /nfs/dbraw/zinc/40/97/81/569409781.db2.gz YDTKMSZQLOHXII-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1cccc(Br)c1 ZINC000002617099 569410279 /nfs/dbraw/zinc/41/02/79/569410279.db2.gz IPNIQTFWVCSTNU-UHFFFAOYSA-N 0 0 440.293 4.824 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000002637235 569413200 /nfs/dbraw/zinc/41/32/00/569413200.db2.gz RSPNFGHIKQXGRZ-UHFFFAOYSA-N 0 0 449.963 4.756 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cccc(C)c2C)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002637674 569413264 /nfs/dbraw/zinc/41/32/64/569413264.db2.gz PYFKGAICJMIIAP-FQEVSTJZSA-N 0 0 433.504 4.601 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000002642857 569413734 /nfs/dbraw/zinc/41/37/34/569413734.db2.gz MVTZNNLTFXLMRH-UHFFFAOYSA-N 0 0 432.505 4.799 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)NC1CCCC1 ZINC000002647005 569414313 /nfs/dbraw/zinc/41/43/13/569414313.db2.gz ORLLJAPQGIOUSF-UHFFFAOYSA-N 0 0 430.936 4.878 50 0 IJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nccs2)ccc1Cl ZINC000002654498 569415219 /nfs/dbraw/zinc/41/52/19/569415219.db2.gz GBQMBUVUGHCXBI-UHFFFAOYSA-N 0 0 442.349 4.527 50 0 IJAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 ZINC000002661375 569416193 /nfs/dbraw/zinc/41/61/93/569416193.db2.gz JONNTACATBRJJZ-UHFFFAOYSA-N 0 0 428.366 4.939 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)OCc1csc(-c2ccccc2)n1)c1cccs1 ZINC000002661636 569416200 /nfs/dbraw/zinc/41/62/00/569416200.db2.gz KHECYPRUMRQPOV-HXUWFJFHSA-N 0 0 448.569 4.956 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002691249 569416975 /nfs/dbraw/zinc/41/69/75/569416975.db2.gz JDFVPULGKVEWHN-UHFFFAOYSA-N 0 0 429.447 4.711 50 0 IJAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)COc1ccc(Cl)cc1)CC(=O)N2 ZINC000002724163 569418346 /nfs/dbraw/zinc/41/83/46/569418346.db2.gz YTFBVVXGKUTEBD-XMMPIXPASA-N 0 0 438.886 4.737 50 0 IJAARN C[C@H]1CCCCN1C(=O)c1cccc(COc2ccc(I)cc2)c1 ZINC000002754110 569420428 /nfs/dbraw/zinc/42/04/28/569420428.db2.gz MAKHFATWCCVGRY-HNNXBMFYSA-N 0 0 435.305 4.885 50 0 IJAARN COc1ccc(-c2ccnc(SCc3nc4c5c(C)c(C)sc5ncn4n3)n2)cc1 ZINC000002790176 569421390 /nfs/dbraw/zinc/42/13/90/569421390.db2.gz NDHSWRHRRKZZHG-UHFFFAOYSA-N 0 0 434.550 4.714 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=O)c3ccn(COc4cccc(Cl)c4Cl)n3)ccc12 ZINC000002787957 569421490 /nfs/dbraw/zinc/42/14/90/569421490.db2.gz OJXIXXXNGVFNMG-UHFFFAOYSA-N 0 0 444.274 4.894 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(C)cc1C ZINC000002889774 569424373 /nfs/dbraw/zinc/42/43/73/569424373.db2.gz WSLSVEUQGYXLHG-UHFFFAOYSA-N 0 0 425.506 4.845 50 0 IJAARN O=c1c2sccc2nc(SCc2cccc(F)c2)n1Cc1ccc2c(c1)OCO2 ZINC000002909057 569424729 /nfs/dbraw/zinc/42/47/29/569424729.db2.gz NVWAOBLWGUWZFS-UHFFFAOYSA-N 0 0 426.494 4.666 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1 ZINC000002908916 569424743 /nfs/dbraw/zinc/42/47/43/569424743.db2.gz LBCYFOVXSSYADA-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCCC2)c(OC)c1 ZINC000002912891 569424942 /nfs/dbraw/zinc/42/49/42/569424942.db2.gz DQRGBDBBNUUXJT-DEOSSOPVSA-N 0 0 436.552 4.630 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)c1 ZINC000002915254 569425070 /nfs/dbraw/zinc/42/50/70/569425070.db2.gz IAADRNHSNVRJAZ-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C ZINC000002925983 569425600 /nfs/dbraw/zinc/42/56/00/569425600.db2.gz GFGQYMYZZYWADT-UHFFFAOYSA-N 0 0 426.542 4.583 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000002933185 569426283 /nfs/dbraw/zinc/42/62/83/569426283.db2.gz JNVCFKZCYJEKLE-UHFFFAOYSA-N 0 0 428.330 4.853 50 0 IJAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3c2=O)cc1 ZINC000002943174 569426923 /nfs/dbraw/zinc/42/69/23/569426923.db2.gz GPUYUWGFKPZOJB-UHFFFAOYSA-N 0 0 439.393 4.665 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000057015961 569429154 /nfs/dbraw/zinc/42/91/54/569429154.db2.gz BEOGQCISYQTHMW-WZONZLPQSA-N 0 0 438.572 4.961 50 0 IJAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000057322577 569431164 /nfs/dbraw/zinc/43/11/64/569431164.db2.gz KGRSPDOWHRHVCX-IMKZUMICSA-N 0 0 442.515 4.704 50 0 IJAARN CC[C@H](C(=O)NCc1cccc(OC)c1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954187 569432392 /nfs/dbraw/zinc/43/23/92/569432392.db2.gz ZBYDPLDJYMDXRF-LJQANCHMSA-N 0 0 426.582 4.526 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N21)c1ccccc1 ZINC000002964364 569432869 /nfs/dbraw/zinc/43/28/69/569432869.db2.gz VLBCDKTVMXPTHC-NRFANRHFSA-N 0 0 425.513 4.504 50 0 IJAARN COCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1S2 ZINC000002964962 569432926 /nfs/dbraw/zinc/43/29/26/569432926.db2.gz PYMMMXCQMLCISJ-UHFFFAOYSA-N 0 0 432.545 4.683 50 0 IJAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C[C@@H]1COc2ccccc2O1 ZINC000002971156 569433397 /nfs/dbraw/zinc/43/33/97/569433397.db2.gz SIEKQASBRJYDIQ-GOSISDBHSA-N 0 0 434.492 4.668 50 0 IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)/C=C/c2ccco2)cc1 ZINC000002976721 569433622 /nfs/dbraw/zinc/43/36/22/569433622.db2.gz VUJWLYLQKJFQNL-YSESTWPTSA-N 0 0 449.503 4.524 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)c(OC)c1 ZINC000057412885 569433794 /nfs/dbraw/zinc/43/37/94/569433794.db2.gz ASAUJJVIQIHLEL-UHFFFAOYSA-N 0 0 429.476 4.925 50 0 IJAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000057426450 569434599 /nfs/dbraw/zinc/43/45/99/569434599.db2.gz CLANXXDTVYRKKO-UHFFFAOYSA-N 0 0 437.974 4.651 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)sc2=S)cc1 ZINC000003018673 569435589 /nfs/dbraw/zinc/43/55/89/569435589.db2.gz WFPBXMNWGFHUEY-ZDUSSCGKSA-N 0 0 427.551 4.518 50 0 IJAARN CCOC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000003026157 569436253 /nfs/dbraw/zinc/43/62/53/569436253.db2.gz UWMKVLUIUVQVAM-UHFFFAOYSA-N 0 0 437.561 4.871 50 0 IJAARN CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003028614 569436537 /nfs/dbraw/zinc/43/65/37/569436537.db2.gz FPIWQNJGNMYAQU-UHFFFAOYSA-N 0 0 437.561 4.871 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1cccc(C(F)(F)F)c1 ZINC000057486667 569436538 /nfs/dbraw/zinc/43/65/38/569436538.db2.gz RLQSVTWHPFYMGX-UHFFFAOYSA-N 0 0 444.388 4.679 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1ccc(Cl)cc1 ZINC000057487546 569436780 /nfs/dbraw/zinc/43/67/80/569436780.db2.gz TVSYPLJLHVLBIN-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c1 ZINC000057487547 569436814 /nfs/dbraw/zinc/43/68/14/569436814.db2.gz FKJPGBPRHQUJTB-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(F)c1 ZINC000057488897 569437007 /nfs/dbraw/zinc/43/70/07/569437007.db2.gz NCHZRVSMMCHNLF-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN COc1cccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)c1 ZINC000003040271 569438107 /nfs/dbraw/zinc/43/81/07/569438107.db2.gz SFZMPIJRJHHFOQ-QHCPKHFHSA-N 0 0 426.944 4.593 50 0 IJAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccc(Br)cc1 ZINC000003049316 569438954 /nfs/dbraw/zinc/43/89/54/569438954.db2.gz YZCKRNONKKZHAI-UHFFFAOYSA-N 0 0 430.327 4.937 50 0 IJAARN CCCCCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccccc21 ZINC000057524044 569439038 /nfs/dbraw/zinc/43/90/38/569439038.db2.gz LNIPTSSEQLXKIO-UHFFFAOYSA-N 0 0 437.569 4.836 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl ZINC000003059314 569439408 /nfs/dbraw/zinc/43/94/08/569439408.db2.gz ANIRPRVIDHZCPC-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN CCOc1ccc(-c2nc(CSCC(=O)NCc3ccccc3OC)c(C)o2)cc1 ZINC000003063451 569439608 /nfs/dbraw/zinc/43/96/08/569439608.db2.gz FKIBTBNJYLIPOC-UHFFFAOYSA-N 0 0 426.538 4.607 50 0 IJAARN CCCCNC(=O)c1cc(-c2cccs2)nc2ccc(S(=O)(=O)NCCCC)cc21 ZINC000003065312 569439737 /nfs/dbraw/zinc/43/97/37/569439737.db2.gz OYAFOKUIDOWHSS-UHFFFAOYSA-N 0 0 445.610 4.572 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000003144126 569440862 /nfs/dbraw/zinc/44/08/62/569440862.db2.gz AAUDSAMIXYQGNE-GOSISDBHSA-N 0 0 437.499 4.849 50 0 IJAARN O=C(CNc1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000057672227 569440868 /nfs/dbraw/zinc/44/08/68/569440868.db2.gz CIYHYLZPSNWBGX-SFHVURJKSA-N 0 0 434.508 4.938 50 0 IJAARN O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003212000 569441742 /nfs/dbraw/zinc/44/17/42/569441742.db2.gz WBWFVVVIVAFVBN-UHFFFAOYSA-N 0 0 440.487 4.959 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccc(C=O)cc2OC)cc1 ZINC000003215432 569441809 /nfs/dbraw/zinc/44/18/09/569441809.db2.gz UDRUERHBQUCEGT-UHFFFAOYSA-N 0 0 428.444 4.588 50 0 IJAARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(I)cc2)CC1 ZINC000003226769 569442167 /nfs/dbraw/zinc/44/21/67/569442167.db2.gz WYWZAVKJZZWSQU-UHFFFAOYSA-N 0 0 443.325 4.625 50 0 IJAARN CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 ZINC000003227378 569442207 /nfs/dbraw/zinc/44/22/07/569442207.db2.gz WPHPWPDRJWYQIU-UHFFFAOYSA-N 0 0 429.929 4.755 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccccc2c1=O ZINC000003228996 569442222 /nfs/dbraw/zinc/44/22/22/569442222.db2.gz MWNBDGUWFRVXRC-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN O=C(COC(=O)c1cc(Cl)nc(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003239228 569442523 /nfs/dbraw/zinc/44/25/23/569442523.db2.gz AFOWIFHXQBWVRL-UHFFFAOYSA-N 0 0 429.303 4.774 50 0 IJAARN O=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000003257242 569443132 /nfs/dbraw/zinc/44/31/32/569443132.db2.gz STQVSFKEDKCZQD-UHFFFAOYSA-N 0 0 445.302 4.540 50 0 IJAARN CN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003261357 569443249 /nfs/dbraw/zinc/44/32/49/569443249.db2.gz YBDAEWCUBVGZDX-UHFFFAOYSA-N 0 0 429.398 4.664 50 0 IJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2C1 ZINC000003263646 569443370 /nfs/dbraw/zinc/44/33/70/569443370.db2.gz JTGVQSBTNRXGEY-LBPRGKRZSA-N 0 0 444.318 4.857 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ncc(Cl)cc1Cl ZINC000003277851 569443730 /nfs/dbraw/zinc/44/37/30/569443730.db2.gz RHZRDXDOEBPTJH-UHFFFAOYSA-N 0 0 430.317 4.853 50 0 IJAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(OC(F)F)cc1OC(F)F ZINC000003275976 569443764 /nfs/dbraw/zinc/44/37/64/569443764.db2.gz BCSVFOOOLCUGPX-UHFFFAOYSA-N 0 0 438.329 4.788 50 0 IJAARN CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000057991128 569444293 /nfs/dbraw/zinc/44/42/93/569444293.db2.gz WULWUIJFJWNMPU-RDTXWAMCSA-N 0 0 444.329 4.780 50 0 IJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000003295668 569444667 /nfs/dbraw/zinc/44/46/67/569444667.db2.gz DMOWNADJZNJXLJ-KRWDZBQOSA-N 0 0 445.592 4.980 50 0 IJAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCCOc1ccc(C)cc1 ZINC000003297481 569444848 /nfs/dbraw/zinc/44/48/48/569444848.db2.gz IYXSRZYWTNAUBD-QGZVFWFLSA-N 0 0 431.533 4.683 50 0 IJAARN CCOC(=O)c1ccn(-c2ccc(NC(=O)c3ccccc3SC(F)(F)F)cc2)n1 ZINC000058018836 569445070 /nfs/dbraw/zinc/44/50/70/569445070.db2.gz AQPXPXAPUUJAJP-UHFFFAOYSA-N 0 0 435.427 4.913 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NCCC2=CCCCC2)cc1 ZINC000003307586 569445273 /nfs/dbraw/zinc/44/52/73/569445273.db2.gz SOSUXBDFIKDYKI-UHFFFAOYSA-N 0 0 430.595 4.804 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 ZINC000003309365 569445363 /nfs/dbraw/zinc/44/53/63/569445363.db2.gz VEQJMVQVKGFDEJ-CJNGLKHVSA-N 0 0 449.001 4.958 50 0 IJAARN CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003318962 569445861 /nfs/dbraw/zinc/44/58/61/569445861.db2.gz CUVBTWIGLBUSKK-UHFFFAOYSA-N 0 0 449.498 4.659 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CSc3ncnc4ccccc43)cc2)cc1 ZINC000003322068 569446022 /nfs/dbraw/zinc/44/60/22/569446022.db2.gz OOTYZCJGRJLBSF-UHFFFAOYSA-N 0 0 444.516 4.622 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1OC ZINC000003322706 569446027 /nfs/dbraw/zinc/44/60/27/569446027.db2.gz VUAZRSLWYFMCJO-UHFFFAOYSA-N 0 0 427.456 4.959 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003330157 569446365 /nfs/dbraw/zinc/44/63/65/569446365.db2.gz BXUDWLWITLPXMK-UHFFFAOYSA-N 0 0 445.393 4.960 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(NCc3ccccc3)s2)ccc1Br ZINC000003329533 569446366 /nfs/dbraw/zinc/44/63/66/569446366.db2.gz FQAGDXLSUBIURZ-UHFFFAOYSA-N 0 0 449.399 4.952 50 0 IJAARN Cc1cc2oc(=O)cc(COC(=O)C[C@H]3Sc4ccccc4NC3=O)c2cc1C(C)C ZINC000003333124 569446537 /nfs/dbraw/zinc/44/65/37/569446537.db2.gz KUJKOQMBFMKGTH-OAQYLSRUSA-N 0 0 437.517 4.771 50 0 IJAARN Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1Cc1ccccc1 ZINC000003332782 569446562 /nfs/dbraw/zinc/44/65/62/569446562.db2.gz DBHWAXVGFWBWSO-UHFFFAOYSA-N 0 0 439.541 4.628 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1Br ZINC000003334434 569446582 /nfs/dbraw/zinc/44/65/82/569446582.db2.gz SRZHKXXKGMUZOF-UHFFFAOYSA-N 0 0 449.654 4.832 50 0 IJAARN Cn1c(Sc2ncnc3sc4c(c32)CCCC4)nc2sc3c(c2c1=O)CCCC3 ZINC000003341391 569446869 /nfs/dbraw/zinc/44/68/69/569446869.db2.gz KWTOFDQSEWZOHA-UHFFFAOYSA-N 0 0 440.619 4.909 50 0 IJAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCc1c(Cl)cccc1Cl ZINC000003341302 569446904 /nfs/dbraw/zinc/44/69/04/569446904.db2.gz YUYVNACGSOQJHB-UHFFFAOYSA-N 0 0 437.348 4.846 50 0 IJAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccc3c(c1)OCO3)CO2 ZINC000058090623 569446986 /nfs/dbraw/zinc/44/69/86/569446986.db2.gz HUPHDNUJQHOYQS-UHFFFAOYSA-N 0 0 427.456 4.849 50 0 biogenic IJAARN CCCC1=C(C(=O)OC)[C@H](c2ccc(C(=O)OC)cc2)NC(=O)N1c1ccc(Cl)cc1 ZINC000003348836 569447244 /nfs/dbraw/zinc/44/72/44/569447244.db2.gz WTESNXZQYGYOQB-FQEVSTJZSA-N 0 0 442.899 4.625 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)sc2C)cc1 ZINC000003354804 569447585 /nfs/dbraw/zinc/44/75/85/569447585.db2.gz FTKLLUZRDRJOES-UHFFFAOYSA-N 0 0 443.956 4.929 50 0 IJAARN CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1cnccn1 ZINC000003355799 569447667 /nfs/dbraw/zinc/44/76/67/569447667.db2.gz DQUGKCCMKRENMB-NRFANRHFSA-N 0 0 444.564 4.844 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc3ccccc3c(=O)[nH]1)oc1ccccc12 ZINC000003358869 569447737 /nfs/dbraw/zinc/44/77/37/569447737.db2.gz RNVINOXBZQELCG-CYBMUJFWSA-N 0 0 445.500 4.950 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)c(C)n1Cc1cccs1 ZINC000003362640 569447982 /nfs/dbraw/zinc/44/79/82/569447982.db2.gz YHCOWVLDNXFNIB-SFHVURJKSA-N 0 0 435.549 4.563 50 0 IJAARN CCCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2cc(Cl)ccc2c1=O ZINC000003370446 569448423 /nfs/dbraw/zinc/44/84/23/569448423.db2.gz LSVHGHUBOBHDIM-CQSZACIVSA-N 0 0 443.956 4.782 50 0 IJAARN Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)c1 ZINC000003370866 569448429 /nfs/dbraw/zinc/44/84/29/569448429.db2.gz JBICQBMWYKJNLI-UHFFFAOYSA-N 0 0 441.487 4.702 50 0 IJAARN CCN(C(=O)CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003379681 569448738 /nfs/dbraw/zinc/44/87/38/569448738.db2.gz VZJGJGLIOUKAMH-INIZCTEOSA-N 0 0 444.004 4.689 50 0 IJAARN C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003421256 569450433 /nfs/dbraw/zinc/45/04/33/569450433.db2.gz VRXMSKADMMXGAI-ZDUSSCGKSA-N 0 0 443.286 4.803 50 0 IJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000003421415 569450436 /nfs/dbraw/zinc/45/04/36/569450436.db2.gz RZZNWGCESBCOGO-UHFFFAOYSA-N 0 0 434.492 4.663 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000003480827 569452356 /nfs/dbraw/zinc/45/23/56/569452356.db2.gz WXBWDTKMWHBERL-UHFFFAOYSA-N 0 0 449.985 4.746 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000003491097 569452523 /nfs/dbraw/zinc/45/25/23/569452523.db2.gz GVJMKAKXJZIZMS-UHFFFAOYSA-N 0 0 426.687 4.925 50 0 IJAARN Cc1ccc(C)c(-n2c(S[C@H]3CCOC3=O)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000003505125 569452927 /nfs/dbraw/zinc/45/29/27/569452927.db2.gz PYDMFPVHDFNMSJ-DYVFJYSZSA-N 0 0 440.590 4.596 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)c1C ZINC000031069651 569453141 /nfs/dbraw/zinc/45/31/41/569453141.db2.gz MIYPLWMIJQRBTP-UHFFFAOYSA-N 0 0 434.561 4.909 50 0 IJAARN CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)n4ccsc4n3)c2C1 ZINC000003542786 569453625 /nfs/dbraw/zinc/45/36/25/569453625.db2.gz LGLCVVHNDDRCSE-OAHLLOKOSA-N 0 0 447.560 4.812 50 0 IJAARN O=C(NC1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(F)(F)F)c1)c2=O ZINC000003630270 569455219 /nfs/dbraw/zinc/45/52/19/569455219.db2.gz VHCSGVBPILTBFE-UHFFFAOYSA-N 0 0 447.482 4.756 50 0 IJAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(OC)c(Br)c3)nc1-2 ZINC000003651689 569455706 /nfs/dbraw/zinc/45/57/06/569455706.db2.gz LAVSUVNVXNKQMC-UHFFFAOYSA-N 0 0 431.311 4.746 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003657905 569455826 /nfs/dbraw/zinc/45/58/26/569455826.db2.gz OMEDUCFUPPRBBT-RPWUZVMVSA-N 0 0 430.504 4.643 50 0 IJAARN Cc1c(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)c(=O)n(-c2ccccc2)n1C ZINC000031433673 569456464 /nfs/dbraw/zinc/45/64/64/569456464.db2.gz AFZQQKDQOSCELL-UHFFFAOYSA-N 0 0 446.576 4.689 50 0 IJAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000031498067 569456593 /nfs/dbraw/zinc/45/65/93/569456593.db2.gz MFWZNGGHMAGCEG-UHFFFAOYSA-N 0 0 434.590 4.786 50 0 IJAARN CCc1cc2c(ncn(Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c2=O)s1 ZINC000031757382 569457243 /nfs/dbraw/zinc/45/72/43/569457243.db2.gz IVCZZNKFDDAVBV-UHFFFAOYSA-N 0 0 442.544 4.930 50 0 IJAARN CC(C)C[C@@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1)c1cccnc1 ZINC000670455626 569458151 /nfs/dbraw/zinc/45/81/51/569458151.db2.gz HFJOMTHLRNMQPU-JOCHJYFZSA-N 0 0 428.598 4.591 50 0 IJAARN CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1ccc(F)cc1 ZINC000004087510 569458787 /nfs/dbraw/zinc/45/87/87/569458787.db2.gz WUSCCMWNGCVZTC-UHFFFAOYSA-N 0 0 428.577 4.562 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C12CCCC2 ZINC000032072207 569459217 /nfs/dbraw/zinc/45/92/17/569459217.db2.gz MYPKJLDNZYPJHC-FQEVSTJZSA-N 0 0 430.907 4.616 50 0 IJAARN O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004113129 569459451 /nfs/dbraw/zinc/45/94/51/569459451.db2.gz DCUFFPSRAOIHBE-HSZRJFAPSA-N 0 0 441.560 4.551 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C12CCCC2 ZINC000032091318 569459590 /nfs/dbraw/zinc/45/95/90/569459590.db2.gz HJJPUENVGLKZHP-FQEVSTJZSA-N 0 0 446.469 4.843 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1 ZINC000004146019 569460463 /nfs/dbraw/zinc/46/04/63/569460463.db2.gz QCPFOSMMZOEMIE-UHFFFAOYSA-N 0 0 439.468 4.659 50 0 IJAARN CCc1ccc(O[C@@](NC(=O)Nc2ccc(Cl)cc2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208085 569460941 /nfs/dbraw/zinc/46/09/41/569460941.db2.gz OHHQCEDPWRWHCD-SFHVURJKSA-N 0 0 430.810 4.535 50 0 IJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000032461395 569461809 /nfs/dbraw/zinc/46/18/09/569461809.db2.gz YEEKFAHPISGUMY-GOSISDBHSA-N 0 0 438.549 4.638 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000032537750 569461995 /nfs/dbraw/zinc/46/19/95/569461995.db2.gz LWDKBTRTINZXOI-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000038179867 569462288 /nfs/dbraw/zinc/46/22/88/569462288.db2.gz JPVZREZXSQXWLT-PXNMLYILSA-N 0 0 445.422 4.569 50 0 IJAARN O=C(CNc1cc(Cl)ccc1N1CCCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000008163719 569462458 /nfs/dbraw/zinc/46/24/58/569462458.db2.gz ARNSXIOZGQKSHD-UHFFFAOYSA-N 0 0 426.948 4.508 50 0 IJAARN CCOc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546150 569463432 /nfs/dbraw/zinc/46/34/32/569463432.db2.gz XQDJAOXVISLGDO-OAQYLSRUSA-N 0 0 426.538 4.722 50 0 IJAARN O=C(Nc1sc2c(c1[C@H](c1cccs1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546223 569463454 /nfs/dbraw/zinc/46/34/54/569463454.db2.gz KMNJXBPPLWJPHQ-FQEVSTJZSA-N 0 0 428.579 4.955 50 0 IJAARN CN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546486 569463526 /nfs/dbraw/zinc/46/35/26/569463526.db2.gz KRLWRPKOZPLEFE-QHCPKHFHSA-N 0 0 435.593 4.809 50 0 IJAARN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000038546782 569463693 /nfs/dbraw/zinc/46/36/93/569463693.db2.gz NNFDRFSDWBJLMZ-OAQYLSRUSA-N 0 0 440.638 4.801 50 0 IJAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000008442555 569464488 /nfs/dbraw/zinc/46/44/88/569464488.db2.gz ZPVBGBAKEVVKAO-UHFFFAOYSA-N 0 0 427.504 4.519 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCCCc2ccccc2)nc2ccsc2c1=O ZINC000067209240 569464805 /nfs/dbraw/zinc/46/48/05/569464805.db2.gz JKBXVKCORCSHNC-UHFFFAOYSA-N 0 0 449.601 4.597 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000067209225 569464828 /nfs/dbraw/zinc/46/48/28/569464828.db2.gz MJWCQWJCSJKYMK-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)cc1 ZINC000067217150 569464925 /nfs/dbraw/zinc/46/49/25/569464925.db2.gz MVRRKTCKWDXKLQ-UHFFFAOYSA-N 0 0 449.601 4.781 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236706 569465440 /nfs/dbraw/zinc/46/54/40/569465440.db2.gz ZJPJFYUGGZIHOK-UHFFFAOYSA-N 0 0 432.549 4.876 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3C)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237395 569465527 /nfs/dbraw/zinc/46/55/27/569465527.db2.gz WXPNDRPUQDSCHL-UHFFFAOYSA-N 0 0 436.512 4.509 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3c(C)cccc3Cl)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238220 569465603 /nfs/dbraw/zinc/46/56/03/569465603.db2.gz BGMIITLCEQOXHG-UHFFFAOYSA-N 0 0 432.977 4.772 50 0 IJAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)c1 ZINC000038652927 569465721 /nfs/dbraw/zinc/46/57/21/569465721.db2.gz MOYHRBJVSGXNFX-UHFFFAOYSA-N 0 0 432.592 4.856 50 0 IJAARN COc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1OC ZINC000038653024 569465726 /nfs/dbraw/zinc/46/57/26/569465726.db2.gz MDCAXBBJCJMPNA-UHFFFAOYSA-N 0 0 427.258 4.573 50 0 IJAARN CCc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)cc1 ZINC000038651873 569465743 /nfs/dbraw/zinc/46/57/43/569465743.db2.gz CSVRSVZDCUXJNM-UHFFFAOYSA-N 0 0 443.525 4.992 50 0 IJAARN COc1ccccc1-c1noc(Cc2nc(-c3cc4cc(C)ccc4oc3=O)cs2)n1 ZINC000067246108 569465940 /nfs/dbraw/zinc/46/59/40/569465940.db2.gz DYHQDXIDORLZGZ-UHFFFAOYSA-N 0 0 431.473 4.874 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)cc(F)c2)c(OC)c1 ZINC000067258907 569466182 /nfs/dbraw/zinc/46/61/82/569466182.db2.gz RGEYTWUKQJCMMM-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN CCN1c2ccccc2-c2nc(SCc3ccc(F)cc3Cl)ncc2S1(=O)=O ZINC000067260077 569466285 /nfs/dbraw/zinc/46/62/85/569466285.db2.gz QVROAKVYULHROP-UHFFFAOYSA-N 0 0 435.933 4.757 50 0 IJAARN CC(C)c1ccc(-c2cc3c4nn(Cc5c(F)cccc5Cl)c(=O)n4ccn3n2)cc1 ZINC000067260592 569466427 /nfs/dbraw/zinc/46/64/27/569466427.db2.gz AHHNDJHRECOQBT-UHFFFAOYSA-N 0 0 435.890 4.775 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1cc(=O)c2ccccc2o1 ZINC000038677489 569466577 /nfs/dbraw/zinc/46/65/77/569466577.db2.gz JVDKBKIEMVWJGJ-UHFFFAOYSA-N 0 0 430.485 4.700 50 0 IJAARN Cc1cccc(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc43)CC2)c1C ZINC000067263322 569466696 /nfs/dbraw/zinc/46/66/96/569466696.db2.gz SCUYTPMYFPRLST-UHFFFAOYSA-N 0 0 434.547 4.888 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067293078 569467779 /nfs/dbraw/zinc/46/77/79/569467779.db2.gz ZNZSONRWKAABOH-DAAIQYDRSA-N 0 0 447.318 4.889 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067294088 569467889 /nfs/dbraw/zinc/46/78/89/569467889.db2.gz CHTWADJHVGYYNX-PIHGLKBESA-N 0 0 426.900 4.544 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000067321452 569468616 /nfs/dbraw/zinc/46/86/16/569468616.db2.gz IHJRAGAMKYVGMV-UHFFFAOYSA-N 0 0 448.466 4.924 50 0 IJAARN CCOc1cccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)c1 ZINC000067334497 569468809 /nfs/dbraw/zinc/46/88/09/569468809.db2.gz ZWAQIRCBIBIDPA-UHFFFAOYSA-N 0 0 446.551 4.834 50 0 IJAARN O=c1c2cc(F)c(F)cc2n(Cc2ccccc2)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000067340633 569468984 /nfs/dbraw/zinc/46/89/84/569468984.db2.gz PNIXYHGJRQINHT-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000008606859 569469383 /nfs/dbraw/zinc/46/93/83/569469383.db2.gz YLEKWVKEYNLMIN-QGZVFWFLSA-N 0 0 434.562 4.585 50 0 IJAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000008705008 569470325 /nfs/dbraw/zinc/47/03/25/569470325.db2.gz LSSOSZHPKLNVPG-UHFFFAOYSA-N 0 0 444.531 4.909 50 0 IJAARN COc1cccc(NC(=O)[C@@H](Sc2nc(C)c(C)c(C)c2C(N)=O)c2ccccc2)c1 ZINC000008705328 569470348 /nfs/dbraw/zinc/47/03/48/569470348.db2.gz KKSPRIKDEJAHBZ-NRFANRHFSA-N 0 0 435.549 4.586 50 0 IJAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000008707596 569470588 /nfs/dbraw/zinc/47/05/88/569470588.db2.gz JEUIFPJYTNNRSH-IBGZPJMESA-N 0 0 431.565 4.644 50 0 IJAARN CCc1cc2c(ncn([C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)s1 ZINC000008717818 569471219 /nfs/dbraw/zinc/47/12/19/569471219.db2.gz YMAVWSKGRNATDK-SECBINFHSA-N 0 0 429.851 4.892 50 0 IJAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008724161 569471967 /nfs/dbraw/zinc/47/19/67/569471967.db2.gz DXOSIIFACJDFBE-CYBMUJFWSA-N 0 0 446.370 4.645 50 0 IJAARN COc1ccc2c(c1)nc(S[C@@H](C)c1nc(N)nc(N(C)C)n1)cc2-c1ccccc1 ZINC000008728618 569472392 /nfs/dbraw/zinc/47/23/92/569472392.db2.gz GWEZUVBIQSHCLJ-AWEZNQCLSA-N 0 0 432.553 4.597 50 0 IJAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000008736210 569472740 /nfs/dbraw/zinc/47/27/40/569472740.db2.gz XRXOWWTYZZIILE-PXNSSMCTSA-N 0 0 434.565 4.904 50 0 IJAARN CCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC)c(OC)c3)c(Cl)cc12 ZINC000008750388 569473333 /nfs/dbraw/zinc/47/33/33/569473333.db2.gz IKJZJLDOPNGGPS-UHFFFAOYSA-N 0 0 445.899 4.824 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)CCCC2 ZINC000008750227 569473337 /nfs/dbraw/zinc/47/33/37/569473337.db2.gz FULLULQVABGLGG-MRXNPFEDSA-N 0 0 438.622 4.999 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008753264 569473664 /nfs/dbraw/zinc/47/36/64/569473664.db2.gz MRMGBHGGBGJMTM-OAQYLSRUSA-N 0 0 441.531 4.640 50 0 IJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccccc5F)CC4)c(C)c3cc12 ZINC000008764942 569474648 /nfs/dbraw/zinc/47/46/48/569474648.db2.gz UFSWPGIOJOUVGG-UHFFFAOYSA-N 0 0 448.494 4.577 50 0 biogenic IJAARN CCN(C(=O)CSc1nnc(-c2cccc(OC)c2)n1C)c1cccc2ccccc21 ZINC000008767247 569474886 /nfs/dbraw/zinc/47/48/86/569474886.db2.gz WBNNTHMNNFGZOZ-UHFFFAOYSA-N 0 0 432.549 4.789 50 0 IJAARN Cc1occc1-c1nc2s/c(=C\c3ccc(-c4cc(Cl)cc(Cl)c4)o3)c(=O)n2n1 ZINC000008767596 569474931 /nfs/dbraw/zinc/47/49/31/569474931.db2.gz GMMFLGAHSWUXFC-MFOYZWKCSA-N 0 0 444.299 4.834 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000008769316 569475059 /nfs/dbraw/zinc/47/50/59/569475059.db2.gz RBHCGXQLBCENOG-UHFFFAOYSA-N 0 0 444.630 4.517 50 0 IJAARN COc1cc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC ZINC000008778341 569475484 /nfs/dbraw/zinc/47/54/84/569475484.db2.gz KTHKCLFWQRZYFZ-KRWDZBQOSA-N 0 0 426.538 4.618 50 0 IJAARN COc1ccc(CN2C[C@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008786960 569475851 /nfs/dbraw/zinc/47/58/51/569475851.db2.gz NXERRXWHPVJMPI-SJORKVTESA-N 0 0 444.362 4.755 50 0 IJAARN Cc1ccc2[nH]c(SCC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)nc2c1 ZINC000008813080 569476719 /nfs/dbraw/zinc/47/67/19/569476719.db2.gz PUFZXXVQIDBKLD-UHFFFAOYSA-N 0 0 445.570 4.885 50 0 IJAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000008825099 569477284 /nfs/dbraw/zinc/47/72/84/569477284.db2.gz LQGLWQGNRTULNZ-FQEVSTJZSA-N 0 0 429.501 4.615 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2N1Cc1ccccc1 ZINC000008840632 569478326 /nfs/dbraw/zinc/47/83/26/569478326.db2.gz ZYPOYURNOKZUFV-UHFFFAOYSA-N 0 0 426.925 4.620 50 0 IJAARN Cc1sc2ncn([C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c2c1C ZINC000008844021 569478564 /nfs/dbraw/zinc/47/85/64/569478564.db2.gz RNALXNSFHQENLN-SECBINFHSA-N 0 0 429.851 4.947 50 0 IJAARN COc1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1OC ZINC000008844299 569478597 /nfs/dbraw/zinc/47/85/97/569478597.db2.gz YBRKINLTGRQOFW-UHFFFAOYSA-N 0 0 427.460 4.786 50 0 IJAARN Cc1nn(C[C@H](O)COc2ccc3c(c2)occ(Oc2cc(C)cc(C)c2)c3=O)c(C)c1C ZINC000008844830 569478649 /nfs/dbraw/zinc/47/86/49/569478649.db2.gz PCMHLYNQNOWTCF-FQEVSTJZSA-N 0 0 448.519 4.764 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)n2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000008847226 569479155 /nfs/dbraw/zinc/47/91/55/569479155.db2.gz MNUVOSPVYKLZMH-CQSZACIVSA-N 0 0 437.496 4.863 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(Cl)cc1Br ZINC000008856866 569479775 /nfs/dbraw/zinc/47/97/75/569479775.db2.gz BYBUOQCSHLPICN-UHFFFAOYSA-N 0 0 446.750 4.975 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008860804 569479925 /nfs/dbraw/zinc/47/99/25/569479925.db2.gz RKIVQLKJGATOPY-SFHVURJKSA-N 0 0 444.560 4.912 50 0 IJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000008862379 569480180 /nfs/dbraw/zinc/48/01/80/569480180.db2.gz PEAZTDZMHZXDJQ-KRWDZBQOSA-N 0 0 430.533 4.761 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(CC)cc2)cc1OCCC ZINC000008867459 569480287 /nfs/dbraw/zinc/48/02/87/569480287.db2.gz DUFHPBFUVWNNIP-UHFFFAOYSA-N 0 0 439.512 4.894 50 0 IJAARN CCCCOc1cccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)c1 ZINC000008871088 569480698 /nfs/dbraw/zinc/48/06/98/569480698.db2.gz IITWKLPIJZBBTQ-UHFFFAOYSA-N 0 0 431.540 4.721 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 ZINC000008871426 569480813 /nfs/dbraw/zinc/48/08/13/569480813.db2.gz CFQUDIYWAZKPOW-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)Nc1ccccc1 ZINC000008877297 569481210 /nfs/dbraw/zinc/48/12/10/569481210.db2.gz AMPXWIABIXYJJK-UHFFFAOYSA-N 0 0 447.585 4.726 50 0 IJAARN CC[C@@H](c1nnc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccccc1)N(C)C ZINC000008880815 569481495 /nfs/dbraw/zinc/48/14/95/569481495.db2.gz DDENCLMRZCHNRQ-QFIPXVFZSA-N 0 0 432.597 4.817 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc12 ZINC000040017843 569482637 /nfs/dbraw/zinc/48/26/37/569482637.db2.gz RCPXLNIFVDENME-HSZRJFAPSA-N 0 0 449.601 4.782 50 0 IJAARN CCOc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1OCC ZINC000008884119 569483118 /nfs/dbraw/zinc/48/31/18/569483118.db2.gz QHTPQMLRLHIATK-NRFANRHFSA-N 0 0 443.565 4.565 50 0 IJAARN COc1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1Cc1ccccc1 ZINC000040033817 569483178 /nfs/dbraw/zinc/48/31/78/569483178.db2.gz GFRFAGRSMIKHGM-UHFFFAOYSA-N 0 0 429.476 4.809 50 0 IJAARN O=C(CCSCc1cn2ccccc2n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000040040356 569483428 /nfs/dbraw/zinc/48/34/28/569483428.db2.gz YRAKWFYIULQNOX-UHFFFAOYSA-N 0 0 430.505 4.998 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000008901079 569484269 /nfs/dbraw/zinc/48/42/69/569484269.db2.gz IZCKAPPOCIDXQG-UHFFFAOYSA-N 0 0 440.499 4.754 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008912300 569484959 /nfs/dbraw/zinc/48/49/59/569484959.db2.gz IZEZUITVJXQFDR-ZDUSSCGKSA-N 0 0 446.334 4.836 50 0 IJAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000008920671 569486548 /nfs/dbraw/zinc/48/65/48/569486548.db2.gz BNLPAAOMZQVOGL-VAWYXSNFSA-N 0 0 433.924 4.600 50 0 IJAARN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000008921287 569486784 /nfs/dbraw/zinc/48/67/84/569486784.db2.gz KVVCJOYMZLUVKH-UHFFFAOYSA-N 0 0 445.548 4.563 50 0 IJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 ZINC000008921647 569486851 /nfs/dbraw/zinc/48/68/51/569486851.db2.gz GCJRJHWQKTYBBW-HNNXBMFYSA-N 0 0 426.325 4.998 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000008923008 569487012 /nfs/dbraw/zinc/48/70/12/569487012.db2.gz DUVBTSXVCLWYQJ-RBBKRZOGSA-N 0 0 447.608 4.662 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H]1c1ccsc1 ZINC000040105499 569488231 /nfs/dbraw/zinc/48/82/31/569488231.db2.gz QNEKZJQIDGLYIA-KRWDZBQOSA-N 0 0 425.476 4.973 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3cccnc3Cl)nc(=O)c12 ZINC000008943375 569488824 /nfs/dbraw/zinc/48/88/24/569488824.db2.gz SCULFNFMQMIMQS-SNVBAGLBSA-N 0 0 436.990 4.661 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000008951723 569489919 /nfs/dbraw/zinc/48/99/19/569489919.db2.gz WSLJOTBVFCKIGZ-OAQYLSRUSA-N 0 0 435.863 4.833 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000008951739 569489930 /nfs/dbraw/zinc/48/99/30/569489930.db2.gz DETLOOIULVYZME-LJQANCHMSA-N 0 0 435.501 4.858 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1Cc2ccc(C)cc2C(=O)O1 ZINC000008951733 569489937 /nfs/dbraw/zinc/48/99/37/569489937.db2.gz IKHUWFJGQLZQHZ-IBGZPJMESA-N 0 0 435.501 4.620 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000008951724 569489945 /nfs/dbraw/zinc/48/99/45/569489945.db2.gz WSLJOTBVFCKIGZ-NRFANRHFSA-N 0 0 435.863 4.833 50 0 IJAARN COc1ccc(-c2nn(Cc3cccc(Cl)c3)c(=O)c3nc(C)sc32)cc1OC ZINC000008955746 569490164 /nfs/dbraw/zinc/49/01/64/569490164.db2.gz GZGNXYSGKBXGDS-UHFFFAOYSA-N 0 0 427.913 4.547 50 0 IJAARN CC(C)CN1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959740 569490360 /nfs/dbraw/zinc/49/03/60/569490360.db2.gz VXGMUPMHZVOEDA-UHFFFAOYSA-N 0 0 430.932 4.765 50 0 IJAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C ZINC000008961242 569490980 /nfs/dbraw/zinc/49/09/80/569490980.db2.gz WNLLHRMERBAOAJ-UHFFFAOYSA-N 0 0 438.505 4.861 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000008964412 569491261 /nfs/dbraw/zinc/49/12/61/569491261.db2.gz QBGMKMZDNFYVFV-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965277 569491364 /nfs/dbraw/zinc/49/13/64/569491364.db2.gz COMJLRZWEHICDC-SBUREZEXSA-N 0 0 428.536 4.633 50 0 IJAARN COc1cc([C@H](C)NC(=O)Cc2csc(C(C)C)n2)ccc1OCc1ccncc1 ZINC000040145832 569492149 /nfs/dbraw/zinc/49/21/49/569492149.db2.gz GFEYJPQFGAYLDJ-INIZCTEOSA-N 0 0 425.554 4.669 50 0 IJAARN CCOc1c(Cl)cc(C(=O)N2CCC(N3CCCc4ccccc43)CC2)cc1OC ZINC000040150168 569493181 /nfs/dbraw/zinc/49/31/81/569493181.db2.gz LXVNMJNMNXRVRD-UHFFFAOYSA-N 0 0 428.960 4.805 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nnc(CN(Cc2ccccc2)C2CCCCC2)s1 ZINC000040151476 569493283 /nfs/dbraw/zinc/49/32/83/569493283.db2.gz ZELPWOPSYAGZCJ-UHFFFAOYSA-N 0 0 438.572 4.942 50 0 IJAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000040152837 569493573 /nfs/dbraw/zinc/49/35/73/569493573.db2.gz GPOOLYIKQQZZHW-CQSZACIVSA-N 0 0 443.429 4.780 50 0 IJAARN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000040155934 569494019 /nfs/dbraw/zinc/49/40/19/569494019.db2.gz VJMHNEDMCONXOI-WZONZLPQSA-N 0 0 445.588 4.626 50 0 IJAARN Cc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1NC(=O)c1ccco1 ZINC000008982236 569494512 /nfs/dbraw/zinc/49/45/12/569494512.db2.gz DGOJYYOGVWAQIV-UHFFFAOYSA-N 0 0 440.883 4.585 50 0 IJAARN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)Nc1c(F)cccc1F)OCCO3 ZINC000008988686 569494979 /nfs/dbraw/zinc/49/49/79/569494979.db2.gz TVFYZWOMGYKGMP-OAHLLOKOSA-N 0 0 428.479 4.563 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000040161014 569495158 /nfs/dbraw/zinc/49/51/58/569495158.db2.gz GWQVMHACCMSAFO-HXUWFJFHSA-N 0 0 444.553 4.974 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000069188427 569496581 /nfs/dbraw/zinc/49/65/81/569496581.db2.gz ZUNNLZYGTPBIRV-VOJFVSQTSA-N 0 0 429.294 4.903 50 0 IJAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)ccc1Cl ZINC000040287812 569498300 /nfs/dbraw/zinc/49/83/00/569498300.db2.gz DDJABVMTPJRVEH-LJQANCHMSA-N 0 0 445.306 4.683 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000009049662 569498533 /nfs/dbraw/zinc/49/85/33/569498533.db2.gz HWODFIUMTSQMLM-CYBMUJFWSA-N 0 0 433.936 4.569 50 0 IJAARN O=C(OCCOc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009056230 569498975 /nfs/dbraw/zinc/49/89/75/569498975.db2.gz LYJKEQJOMIBDHF-UHFFFAOYSA-N 0 0 440.298 4.607 50 0 IJAARN O=C(NC(=S)N1CCCC[C@@H]1c1cccnc1)C1c2ccccc2Oc2ccccc21 ZINC000009076553 569500277 /nfs/dbraw/zinc/50/02/77/569500277.db2.gz QYTQRAJOSCRZSY-HXUWFJFHSA-N 0 0 429.545 4.948 50 0 IJAARN COc1ccc([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3[nH]2)cc1OC ZINC000009090770 569501039 /nfs/dbraw/zinc/50/10/39/569501039.db2.gz LEZKQRDXKPUQSE-HSZRJFAPSA-N 0 0 426.476 4.503 50 0 IJAARN CC1CCN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)CC1 ZINC000009101447 569501768 /nfs/dbraw/zinc/50/17/68/569501768.db2.gz LDJYOOYNZBDSNE-UHFFFAOYSA-N 0 0 425.479 4.661 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000009115457 569502758 /nfs/dbraw/zinc/50/27/58/569502758.db2.gz LMUSXZMKBZPHQH-NDEPHWFRSA-N 0 0 433.982 4.935 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccccc3Cl)o2)cc1 ZINC000009115565 569502767 /nfs/dbraw/zinc/50/27/67/569502767.db2.gz ZUZJJELOIFPMDW-NDEPHWFRSA-N 0 0 433.982 4.935 50 0 IJAARN COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5ccccc5C)C4)sc3n2)cc1 ZINC000009117437 569503158 /nfs/dbraw/zinc/50/31/58/569503158.db2.gz NCKVRCXDHUPXDL-GOSISDBHSA-N 0 0 447.564 4.630 50 0 IJAARN CCOc1ccc(NC(=O)CSc2cn(CC(=O)N(CC)CC)c3ccccc23)cc1 ZINC000009118259 569503278 /nfs/dbraw/zinc/50/32/78/569503278.db2.gz UKTXFFCITYUMHV-UHFFFAOYSA-N 0 0 439.581 4.639 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)N1CCc2ccccc21 ZINC000009118401 569503343 /nfs/dbraw/zinc/50/33/43/569503343.db2.gz ZAXKXJBFCVJWEC-UHFFFAOYSA-N 0 0 447.604 4.725 50 0 IJAARN O=C(COc1ccc(NC(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000009119369 569503530 /nfs/dbraw/zinc/50/35/30/569503530.db2.gz SISFLNPCULWBOV-UHFFFAOYSA-N 0 0 428.532 4.799 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)CC)C[C@H]1CCCO1 ZINC000245326999 569503710 /nfs/dbraw/zinc/50/37/10/569503710.db2.gz HTBIWVINXKINFT-LADGPHEKSA-N 0 0 449.595 4.979 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2F)o1)Oc1ccc(C(=O)Nc2nncs2)cc1 ZINC000069386852 569504218 /nfs/dbraw/zinc/50/42/18/569504218.db2.gz IQIJLXQJBQRTBK-UHFFFAOYSA-N 0 0 437.452 4.728 50 0 IJAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)[C@H]1C ZINC000245343926 569504577 /nfs/dbraw/zinc/50/45/77/569504577.db2.gz WMYQUEQAOJCJMM-BIENJYKASA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000009125261 569504608 /nfs/dbraw/zinc/50/46/08/569504608.db2.gz HWTVPPFCXWBLDQ-KRWDZBQOSA-N 0 0 435.907 4.914 50 0 IJAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C2=O ZINC000009125535 569504662 /nfs/dbraw/zinc/50/46/62/569504662.db2.gz PARSKXVQERUORN-WNSKOXEYSA-N 0 0 441.915 4.572 50 0 IJAARN CCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC000009126229 569504886 /nfs/dbraw/zinc/50/48/86/569504886.db2.gz KJIARKFHSBAYOM-GOSISDBHSA-N 0 0 430.570 4.599 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)nc2c1 ZINC000009126688 569504987 /nfs/dbraw/zinc/50/49/87/569504987.db2.gz DFSABOQAEMNXHR-KRWDZBQOSA-N 0 0 438.534 4.696 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccccc3S(=O)(=O)N(C)c3ccccc3)sc2c1 ZINC000009127710 569505288 /nfs/dbraw/zinc/50/52/88/569505288.db2.gz QETSYMNHVXTUCK-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009129507 569505800 /nfs/dbraw/zinc/50/58/00/569505800.db2.gz QLCXKXNKRZXDGY-NRFANRHFSA-N 0 0 448.573 4.712 50 0 IJAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000040454417 569506465 /nfs/dbraw/zinc/50/64/65/569506465.db2.gz HMNOUJCIRBNNCS-JOCHJYFZSA-N 0 0 438.524 4.816 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000040485636 569506817 /nfs/dbraw/zinc/50/68/17/569506817.db2.gz XLFAAEVTIITYTH-HSZRJFAPSA-N 0 0 447.462 4.674 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn3c(n2)nc(C)cc3C)cc1 ZINC000009144393 569507330 /nfs/dbraw/zinc/50/73/30/569507330.db2.gz RUXGXLNFYXHORW-UHFFFAOYSA-N 0 0 427.533 4.646 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn3c(n2)nc(C)cc3C)c(C)c1 ZINC000009144425 569507343 /nfs/dbraw/zinc/50/73/43/569507343.db2.gz VAGHROVRPYNOCG-UHFFFAOYSA-N 0 0 441.560 4.954 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)Nc1cccc(F)c1 ZINC000009152324 569507750 /nfs/dbraw/zinc/50/77/50/569507750.db2.gz VLFISFFPGPBTAC-UHFFFAOYSA-N 0 0 440.471 4.532 50 0 IJAARN COc1cc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc(OC)c1OC ZINC000009152899 569507948 /nfs/dbraw/zinc/50/79/48/569507948.db2.gz WBCCRDWKVVLLTK-UHFFFAOYSA-N 0 0 439.903 4.855 50 0 IJAARN CCOc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc(OCC)c1OCC ZINC000009153131 569508049 /nfs/dbraw/zinc/50/80/49/569508049.db2.gz HNTRQYVYXGMMBX-UHFFFAOYSA-N 0 0 443.931 4.856 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009161246 569508725 /nfs/dbraw/zinc/50/87/25/569508725.db2.gz UMHXFVMYWRYACN-QHCPKHFHSA-N 0 0 426.472 4.872 50 0 IJAARN CCN1c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2OCC(C)(C)C1=O ZINC000009166156 569508884 /nfs/dbraw/zinc/50/88/84/569508884.db2.gz RBULGTPHMIZXDA-UHFFFAOYSA-N 0 0 444.597 4.801 50 0 IJAARN CC(C)CN1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009168134 569509086 /nfs/dbraw/zinc/50/90/86/569509086.db2.gz AOPAXOIHKKHABR-UHFFFAOYSA-N 0 0 436.961 4.548 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c(C)c1 ZINC000009169392 569509200 /nfs/dbraw/zinc/50/92/00/569509200.db2.gz PXLCRRTZQPHCTD-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN CC(C)CCN1c2cc(NS(=O)(=O)Cc3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009174430 569509593 /nfs/dbraw/zinc/50/95/93/569509593.db2.gz ALJFGWVVPIZLFP-UHFFFAOYSA-N 0 0 448.560 4.565 50 0 IJAARN Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)c(C)c1 ZINC000009180111 569509796 /nfs/dbraw/zinc/50/97/96/569509796.db2.gz PIKAGZGACJFQFS-KRWDZBQOSA-N 0 0 442.968 4.821 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000009187390 569510328 /nfs/dbraw/zinc/51/03/28/569510328.db2.gz PGUXBPPRGVBBAX-UHFFFAOYSA-N 0 0 429.442 4.860 50 0 IJAARN COc1ccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)cc1OC ZINC000009187867 569510435 /nfs/dbraw/zinc/51/04/35/569510435.db2.gz BBOJCZQMCBOHMK-UHFFFAOYSA-N 0 0 428.488 4.783 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Br)c1 ZINC000015351398 569510533 /nfs/dbraw/zinc/51/05/33/569510533.db2.gz RSOUJZZOGXBFRM-INIZCTEOSA-N 0 0 441.778 4.593 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1OCCC ZINC000009195084 569510957 /nfs/dbraw/zinc/51/09/57/569510957.db2.gz UHIOCFIWVTUNCY-UHFFFAOYSA-N 0 0 439.512 4.949 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009196905 569511008 /nfs/dbraw/zinc/51/10/08/569511008.db2.gz KGSWRQCWTXMHLY-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN O=C1c2ccccc2N[C@H](c2cc3c(cc2Br)OCO3)N1Cc1ccco1 ZINC000009207107 569511427 /nfs/dbraw/zinc/51/14/27/569511427.db2.gz DZBUAYIVMIRAHR-IBGZPJMESA-N 0 0 427.254 4.538 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nncn1-c1ccccc1 ZINC000009207253 569511428 /nfs/dbraw/zinc/51/14/28/569511428.db2.gz IZTQITMHERJUDB-UHFFFAOYSA-N 0 0 438.940 4.931 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009207898 569511457 /nfs/dbraw/zinc/51/14/57/569511457.db2.gz TYVXBQSIUAZVLC-FDDCHVKYSA-N 0 0 436.943 4.639 50 0 IJAARN Cc1ccccc1OCc1nnc(SCC(=O)N[C@H](C)c2ccco2)n1-c1ccccc1 ZINC000009208318 569511467 /nfs/dbraw/zinc/51/14/67/569511467.db2.gz JRVHZDYRBDYHOY-GOSISDBHSA-N 0 0 448.548 4.717 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000009209445 569511571 /nfs/dbraw/zinc/51/15/71/569511571.db2.gz KIXOQLCUOMHEKT-OALUTQOASA-N 0 0 449.511 4.886 50 0 IJAARN Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000009211746 569511855 /nfs/dbraw/zinc/51/18/55/569511855.db2.gz PKHJGWVLQRVEIN-KRWDZBQOSA-N 0 0 449.503 4.919 50 0 biogenic IJAARN COc1ccc(Nc2nc3c(cnn3C)c(Nc3ccc(OC)c(Cl)c3)n2)c(OC)c1 ZINC000009212232 569511988 /nfs/dbraw/zinc/51/19/88/569511988.db2.gz XPASQNRGPJXSGN-UHFFFAOYSA-N 0 0 440.891 4.530 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212037 569512003 /nfs/dbraw/zinc/51/20/03/569512003.db2.gz AFSIBGMPWKSAAR-JGCGQSQUSA-N 0 0 444.556 4.930 50 0 IJAARN O=c1c2ccccc2c(-c2nnc(SCCc3ccccc3)o2)nn1Cc1ccccc1 ZINC000009222126 569512688 /nfs/dbraw/zinc/51/26/88/569512688.db2.gz BEBXPJAOTUCGAA-UHFFFAOYSA-N 0 0 440.528 4.830 50 0 IJAARN COCCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000009231146 569513727 /nfs/dbraw/zinc/51/37/27/569513727.db2.gz ZHVLBQLPORWUNZ-UHFFFAOYSA-N 0 0 430.932 4.680 50 0 IJAARN COCc1cc(C)nc2sc(C(=O)Nc3cc(C)c(C)cc3Br)c(N)c21 ZINC000009234269 569513951 /nfs/dbraw/zinc/51/39/51/569513951.db2.gz JNLAQOAXECAMCH-UHFFFAOYSA-N 0 0 434.359 4.965 50 0 IJAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009235744 569514075 /nfs/dbraw/zinc/51/40/75/569514075.db2.gz UTBLXFYVEAJXOA-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(C)cc2)cc1 ZINC000009236271 569514152 /nfs/dbraw/zinc/51/41/52/569514152.db2.gz ZKSAXOXIXDLUGU-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009237172 569514183 /nfs/dbraw/zinc/51/41/83/569514183.db2.gz JLIRMWWVNHXXAR-RTWAWAEBSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccncc3)sc2c1 ZINC000009239832 569514604 /nfs/dbraw/zinc/51/46/04/569514604.db2.gz DQAKBQLYHXAFAR-HXUWFJFHSA-N 0 0 425.469 4.856 50 0 IJAARN CSc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009243671 569514926 /nfs/dbraw/zinc/51/49/26/569514926.db2.gz YMMMPTHVNMKWSW-HSZRJFAPSA-N 0 0 437.565 4.865 50 0 IJAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2nccs2)cc1 ZINC000009250235 569515708 /nfs/dbraw/zinc/51/57/08/569515708.db2.gz LQRCUGMVPYNUQI-UHFFFAOYSA-N 0 0 426.567 4.700 50 0 IJAARN O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccc(F)cc1 ZINC000009251616 569515936 /nfs/dbraw/zinc/51/59/36/569515936.db2.gz LDZAJMNSKLCNJI-UHFFFAOYSA-N 0 0 434.540 4.742 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000009262691 569517054 /nfs/dbraw/zinc/51/70/54/569517054.db2.gz MJJDDFQWVXOEKC-UHFFFAOYSA-N 0 0 440.569 4.542 50 0 IJAARN CCOc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000009266653 569517455 /nfs/dbraw/zinc/51/74/55/569517455.db2.gz KLIVUJSIPQRVMQ-UHFFFAOYSA-N 0 0 426.520 4.935 50 0 IJAARN CCc1ccccc1Nc1nn2c(nc3cc(C(=O)N4CCCCCC4)ccc3c2=O)s1 ZINC000009274458 569518219 /nfs/dbraw/zinc/51/82/19/569518219.db2.gz MJEWGTHZZBEXGQ-UHFFFAOYSA-N 0 0 447.564 4.626 50 0 IJAARN COc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000009274767 569518232 /nfs/dbraw/zinc/51/82/32/569518232.db2.gz QYQRCBQEWQTUMU-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274784 569518244 /nfs/dbraw/zinc/51/82/44/569518244.db2.gz GKIOTEPYAOWXMU-UHFFFAOYSA-N 0 0 436.458 4.964 50 0 IJAARN COc1ccc(CC(=O)N2CCN=C2SCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000009277554 569518487 /nfs/dbraw/zinc/51/84/87/569518487.db2.gz RHUMSLJWLSPSDK-UHFFFAOYSA-N 0 0 439.364 4.685 50 0 IJAARN Cn1cnnc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000009284716 569519099 /nfs/dbraw/zinc/51/90/99/569519099.db2.gz KQZQSZWDGSGSIE-OAHLLOKOSA-N 0 0 426.851 4.959 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000009288860 569519451 /nfs/dbraw/zinc/51/94/51/569519451.db2.gz QIBSHNSEOFFVPE-UHFFFAOYSA-N 0 0 427.508 4.773 50 0 IJAARN COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 ZINC000009288862 569519452 /nfs/dbraw/zinc/51/94/52/569519452.db2.gz XIVXVNOJRSYDTE-UHFFFAOYSA-N 0 0 427.508 4.773 50 0 IJAARN CC[C@H](C(=O)NCc1cccc(Cl)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289140 569519534 /nfs/dbraw/zinc/51/95/34/569519534.db2.gz ODGDSXQRTBUSGY-QGZVFWFLSA-N 0 0 425.941 4.841 50 0 IJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(C)cc3C)n2C(C)C)n1 ZINC000009289854 569519623 /nfs/dbraw/zinc/51/96/23/569519623.db2.gz QMOGUJWALQWWLG-MRXNPFEDSA-N 0 0 445.614 4.939 50 0 IJAARN CC(C)n1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000009289875 569519630 /nfs/dbraw/zinc/51/96/30/569519630.db2.gz MSURZZKCHRLKLZ-CYBMUJFWSA-N 0 0 428.489 4.513 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@H](c3cccc(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009291372 569519805 /nfs/dbraw/zinc/51/98/05/569519805.db2.gz LFLPEGFPVWIPBS-GOTSBHOMSA-N 0 0 427.895 4.848 50 0 IJAARN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OCc1ccccc1 ZINC000009299829 569520563 /nfs/dbraw/zinc/52/05/63/569520563.db2.gz UBGCSNZQQUDKEK-QHCPKHFHSA-N 0 0 449.576 4.568 50 0 IJAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)NCCC(c1ccccc1)c1ccccc1 ZINC000009317358 569522330 /nfs/dbraw/zinc/52/23/30/569522330.db2.gz FLRZHRGKFJCVDB-UHFFFAOYSA-N 0 0 443.330 4.884 50 0 IJAARN O=C(CSc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)OCc1ccccc1 ZINC000009324333 569522694 /nfs/dbraw/zinc/52/26/94/569522694.db2.gz QZYDSLCEVHYGNI-UHFFFAOYSA-N 0 0 434.930 4.671 50 0 IJAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)C1=O ZINC000009337621 569523581 /nfs/dbraw/zinc/52/35/81/569523581.db2.gz ZZLZULGQCNMHOF-RUZDIDTESA-N 0 0 439.531 4.834 50 0 IJAARN COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(C)c12 ZINC000009340388 569523833 /nfs/dbraw/zinc/52/38/33/569523833.db2.gz GPRHHEWXVACNGA-UHFFFAOYSA-N 0 0 434.536 4.836 50 0 IJAARN CCOC(=O)COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3)C2)cc1 ZINC000009349052 569524609 /nfs/dbraw/zinc/52/46/09/569524609.db2.gz KMCJEGPFEVTBQJ-OAQYLSRUSA-N 0 0 434.517 4.682 50 0 IJAARN C[C@H](NC(=O)CSCc1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 ZINC000009348969 569524632 /nfs/dbraw/zinc/52/46/32/569524632.db2.gz HYXPRWNJVXSUJC-NSHDSACASA-N 0 0 442.762 4.942 50 0 IJAARN COc1ccccc1[C@H](C)NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000009350349 569524804 /nfs/dbraw/zinc/52/48/04/569524804.db2.gz FYXKMYYVSTWEOZ-ZDUSSCGKSA-N 0 0 446.370 4.817 50 0 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O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc2c(c1)OCO2 ZINC000009394366 569529129 /nfs/dbraw/zinc/52/91/29/569529129.db2.gz ITCFVDKCYGWAAV-UHFFFAOYSA-N 0 0 448.519 4.966 50 0 IJAARN CCc1ccc(-c2cn3c4ccc(C(=O)NCCCN5CCCC5=O)cc4sc3n2)cc1 ZINC000009406469 569530092 /nfs/dbraw/zinc/53/00/92/569530092.db2.gz GTPYXBIJEBTVOC-UHFFFAOYSA-N 0 0 446.576 4.521 50 0 IJAARN CCOc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccn5)cc4sc3n2)cc1 ZINC000009406613 569530128 /nfs/dbraw/zinc/53/01/28/569530128.db2.gz UUFMGTWJERAATC-UHFFFAOYSA-N 0 0 428.517 4.940 50 0 IJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1CCCO ZINC000009409194 569530882 /nfs/dbraw/zinc/53/08/82/569530882.db2.gz ATZKNJQPPLSNBB-VWLOTQADSA-N 0 0 441.487 4.502 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 ZINC000009409248 569531035 /nfs/dbraw/zinc/53/10/35/569531035.db2.gz WSYQOUPVROTGPA-FQEVSTJZSA-N 0 0 426.314 4.890 50 0 IJAARN Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4nc(-c5ccccc5)[nH]c(=O)c43)cc2)cc1 ZINC000009409468 569531076 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569534610 /nfs/dbraw/zinc/53/46/10/569534610.db2.gz RGWDXUFSAVQERG-UHFFFAOYSA-N 0 0 427.485 4.861 50 0 IJAARN CSc1nc2ccc3nc(NC(=O)c4coc5ccccc5c4=O)sc3c2s1 ZINC000009434125 569534671 /nfs/dbraw/zinc/53/46/71/569534671.db2.gz ULIDVEWBHBCIGO-UHFFFAOYSA-N 0 0 425.516 4.987 50 0 IJAARN COc1cccc(-n2cc(C(=O)N3CC=C(c4ccccc4)CC3)c3ccccc3c2=O)c1 ZINC000009438945 569535036 /nfs/dbraw/zinc/53/50/36/569535036.db2.gz IVLONWLSCPPKRL-UHFFFAOYSA-N 0 0 436.511 4.929 50 0 IJAARN COc1ccc(NC(=O)Nc2ccccc2F)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009441943 569535458 /nfs/dbraw/zinc/53/54/58/569535458.db2.gz WPLBGRIVQDZPAZ-UHFFFAOYSA-N 0 0 449.891 4.933 50 0 IJAARN CCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)c2cc3occc3n21 ZINC000009442984 569535641 /nfs/dbraw/zinc/53/56/41/569535641.db2.gz HKNCUSFHHFYLST-UHFFFAOYSA-N 0 0 449.305 4.670 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000009451073 569536366 /nfs/dbraw/zinc/53/63/66/569536366.db2.gz COXXEBHHKKGIRJ-UHFFFAOYSA-N 0 0 432.545 4.536 50 0 IJAARN 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O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000009517732 569543771 /nfs/dbraw/zinc/54/37/71/569543771.db2.gz IUBUMBFLKJJFLW-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc(N2CCCC2)c(NC(=O)Nc2ccccc2)c1 ZINC000009527893 569544741 /nfs/dbraw/zinc/54/47/41/569544741.db2.gz KYJQVPRYOKRPQM-UHFFFAOYSA-N 0 0 444.535 4.869 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)c1 ZINC000009529545 569544937 /nfs/dbraw/zinc/54/49/37/569544937.db2.gz NSRRXIDHLWHAIE-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009530704 569545015 /nfs/dbraw/zinc/54/50/15/569545015.db2.gz MJARKIUGZZPHII-OAHLLOKOSA-N 0 0 435.911 4.656 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3ccc(F)cc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000009531967 569545202 /nfs/dbraw/zinc/54/52/02/569545202.db2.gz ZNZUIVYIVQYHJX-UHFFFAOYSA-N 0 0 436.458 4.964 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)on1 ZINC000009532501 569545282 /nfs/dbraw/zinc/54/52/82/569545282.db2.gz RWULLBXPAXEAED-UHFFFAOYSA-N 0 0 436.541 4.778 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009540048 569545744 /nfs/dbraw/zinc/54/57/44/569545744.db2.gz AGYXCUTTYQZSFK-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN COc1ccc(C)c2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc21 ZINC000009544017 569545962 /nfs/dbraw/zinc/54/59/62/569545962.db2.gz ARSHWBNXZCCOKE-UHFFFAOYSA-N 0 0 442.393 4.944 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)CCSc2ccc(F)cc2)c(Br)c1 ZINC000009544764 569546027 /nfs/dbraw/zinc/54/60/27/569546027.db2.gz DMUOUKVMCPJTAA-UHFFFAOYSA-N 0 0 426.307 4.561 50 0 IJAARN COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000009546367 569546236 /nfs/dbraw/zinc/54/62/36/569546236.db2.gz TXHRYCXQHISGDF-VWLOTQADSA-N 0 0 448.950 4.503 50 0 IJAARN COc1cccc2cc(-c3nnc(Nc4ccccc4Br)s3)c(=O)oc21 ZINC000009554237 569546797 /nfs/dbraw/zinc/54/67/97/569546797.db2.gz MZJXQJLVTMLLHR-UHFFFAOYSA-N 0 0 430.283 4.826 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccc(C)c2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559070 569546938 /nfs/dbraw/zinc/54/69/38/569546938.db2.gz VQOHYJXKQNEGMH-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN CCCCC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1-c1ccc(C)cc1C ZINC000009559089 569546956 /nfs/dbraw/zinc/54/69/56/569546956.db2.gz JISTUSIKRWNMLW-UHFFFAOYSA-N 0 0 426.538 4.726 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000009562233 569547301 /nfs/dbraw/zinc/54/73/01/569547301.db2.gz NHSCIDFWDPYBHE-UHFFFAOYSA-N 0 0 425.517 4.845 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000009577495 569548203 /nfs/dbraw/zinc/54/82/03/569548203.db2.gz MRSILSCBZRFJFL-LJQANCHMSA-N 0 0 427.500 4.976 50 0 biogenic IJAARN CN(C)[C@H](CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000009579067 569548460 /nfs/dbraw/zinc/54/84/60/569548460.db2.gz PZDHXFPCELXXKI-HSZRJFAPSA-N 0 0 443.551 4.577 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000009580179 569548704 /nfs/dbraw/zinc/54/87/04/569548704.db2.gz QYBJNYRKIPZNQN-UHFFFAOYSA-N 0 0 441.258 4.515 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000009580428 569548762 /nfs/dbraw/zinc/54/87/62/569548762.db2.gz QIUMSRDWUJNJBT-OFVILXPXSA-N 0 0 436.577 4.808 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccccc1 ZINC000009580424 569548784 /nfs/dbraw/zinc/54/87/84/569548784.db2.gz UQGVRUUVPVDYBT-RLWLMLJZSA-N 0 0 448.588 4.952 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000009580887 569548903 /nfs/dbraw/zinc/54/89/03/569548903.db2.gz CPCWSQZZSPIARS-UHFFFAOYSA-N 0 0 443.532 4.537 50 0 IJAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2)c1ccco1 ZINC000070638586 569549008 /nfs/dbraw/zinc/54/90/08/569549008.db2.gz ILUXRFRCFFBXCO-UHFFFAOYSA-N 0 0 436.415 4.597 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CSc3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000009581839 569549182 /nfs/dbraw/zinc/54/91/82/569549182.db2.gz NKBABSKXOVUDLM-UHFFFAOYSA-N 0 0 437.517 4.873 50 0 IJAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 ZINC000009584045 569549344 /nfs/dbraw/zinc/54/93/44/569549344.db2.gz HWBBRGBNHGKZNV-IBGZPJMESA-N 0 0 428.473 4.853 50 0 IJAARN Cc1nc2sc3c(c2c(SCc2nc4ccc(Cl)cc4n2CCO)n1)CCC3 ZINC000009588485 569549897 /nfs/dbraw/zinc/54/98/97/569549897.db2.gz CUHNIFWCZFDQHL-UHFFFAOYSA-N 0 0 430.986 4.776 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009589416 569549976 /nfs/dbraw/zinc/54/99/76/569549976.db2.gz AXFGNHYYJYSDGH-UHFFFAOYSA-N 0 0 433.509 4.623 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009592137 569550276 /nfs/dbraw/zinc/55/02/76/569550276.db2.gz IZQGMBFTFRDAPP-MRXNPFEDSA-N 0 0 443.528 4.823 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009593875 569550491 /nfs/dbraw/zinc/55/04/91/569550491.db2.gz CQGHETUWOYQBMZ-UHFFFAOYSA-N 0 0 448.596 4.786 50 0 IJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)NC(c1ccccc1)c1ccccc1 ZINC000009594659 569550630 /nfs/dbraw/zinc/55/06/30/569550630.db2.gz UNCCTOJNNFHEMR-UHFFFAOYSA-N 0 0 438.314 4.609 50 0 IJAARN CCCCCCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)C(C)=N2 ZINC000009597307 569550869 /nfs/dbraw/zinc/55/08/69/569550869.db2.gz MPIGCDWOHVDLEI-LJQANCHMSA-N 0 0 430.574 4.811 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 ZINC000009599869 569551393 /nfs/dbraw/zinc/55/13/93/569551393.db2.gz OWNIEYDFMDAROR-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN COc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000009601124 569551523 /nfs/dbraw/zinc/55/15/23/569551523.db2.gz MJSYBTFTMAQUEX-UHFFFAOYSA-N 0 0 444.560 4.792 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4coc(-c5cccs5)n4)C3=O)ccc2c1 ZINC000009609291 569552298 /nfs/dbraw/zinc/55/22/98/569552298.db2.gz AKSTVFMLSCLXSD-HSZRJFAPSA-N 0 0 433.489 4.532 50 0 IJAARN COc1cc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc(OC)c1 ZINC000009609629 569552374 /nfs/dbraw/zinc/55/23/74/569552374.db2.gz NPLVUSUQNWUYGX-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(F)cc4)c(C)n3n2)c(OC)c1 ZINC000009609978 569552486 /nfs/dbraw/zinc/55/24/86/569552486.db2.gz HWFNHPCGNJVELJ-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1cn(Cc2ccc(F)cc2)c2cc3c(cc2c1=O)OCCO3 ZINC000009610765 569552611 /nfs/dbraw/zinc/55/26/11/569552611.db2.gz XRKUIRLLENXKOF-UHFFFAOYSA-N 0 0 449.865 4.845 50 0 IJAARN O=C(CCc1nc2cccnc2n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000009612187 569552882 /nfs/dbraw/zinc/55/28/82/569552882.db2.gz VHOFPAITHCVNCO-UHFFFAOYSA-N 0 0 439.288 4.893 50 0 IJAARN CCn1c(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)nnc1-c1ccco1 ZINC000009613649 569553006 /nfs/dbraw/zinc/55/30/06/569553006.db2.gz YMGCFOSOHXTFPI-LJQANCHMSA-N 0 0 442.541 4.757 50 0 IJAARN Cc1nnc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccc(F)cc2)s1 ZINC000009614625 569553146 /nfs/dbraw/zinc/55/31/46/569553146.db2.gz LEHKYDCNGSHJBB-IBGZPJMESA-N 0 0 439.541 4.814 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000009618479 569553370 /nfs/dbraw/zinc/55/33/70/569553370.db2.gz URHOEMFINOFQOZ-UHFFFAOYSA-N 0 0 445.471 4.823 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009629864 569553601 /nfs/dbraw/zinc/55/36/01/569553601.db2.gz PXFLOXDPIZWRDA-UHFFFAOYSA-N 0 0 434.970 4.828 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)cc1 ZINC000009628040 569553603 /nfs/dbraw/zinc/55/36/03/569553603.db2.gz XQTCLCLQASQWDB-UHFFFAOYSA-N 0 0 438.534 4.503 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2C(C)C)cc1 ZINC000009632084 569553931 /nfs/dbraw/zinc/55/39/31/569553931.db2.gz FUNXQAZWWFMANV-NRFANRHFSA-N 0 0 436.581 4.821 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1NC(=O)c1ccco1 ZINC000009632965 569554131 /nfs/dbraw/zinc/55/41/31/569554131.db2.gz JJPHCECCVFXZGK-UHFFFAOYSA-N 0 0 442.265 4.643 50 0 IJAARN Cc1cccc(-c2nc3cc(=O)[nH]n3c(SCCOc3cc(C)ccc3C(C)C)n2)c1 ZINC000009640666 569555389 /nfs/dbraw/zinc/55/53/89/569555389.db2.gz NGOXZQZKZXRZRZ-UHFFFAOYSA-N 0 0 434.565 4.996 50 0 IJAARN Cc1cc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[nH]n32)ccc1Cl ZINC000009641406 569555658 /nfs/dbraw/zinc/55/56/58/569555658.db2.gz QQOZGYNHAJFZQC-UHFFFAOYSA-N 0 0 432.958 4.669 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)c3cc(C)n([C@@H](C)COC)c3C)o2)cc1 ZINC000009644180 569556047 /nfs/dbraw/zinc/55/60/47/569556047.db2.gz LSFSKPAJJVOEQP-HNNXBMFYSA-N 0 0 429.542 4.736 50 0 IJAARN Cc1cc(C)cc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)c1 ZINC000009663252 569557188 /nfs/dbraw/zinc/55/71/88/569557188.db2.gz JFFCDWHJFCRORZ-UHFFFAOYSA-N 0 0 441.556 4.684 50 0 IJAARN Fc1ccc(OCc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 ZINC000009665307 569557512 /nfs/dbraw/zinc/55/75/12/569557512.db2.gz WYRABJFZXHAQHC-UHFFFAOYSA-N 0 0 443.481 4.932 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCc1ccccc1 ZINC000009667325 569557798 /nfs/dbraw/zinc/55/77/98/569557798.db2.gz KNRVACOFAWUZLC-NIYFSFCBSA-N 0 0 437.543 4.769 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccccc1F ZINC000009670141 569558216 /nfs/dbraw/zinc/55/82/16/569558216.db2.gz ARKJDVKXRFPXAA-UHFFFAOYSA-N 0 0 448.519 4.639 50 0 IJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000009670251 569558306 /nfs/dbraw/zinc/55/83/06/569558306.db2.gz MXQCWZPHEWXEFW-UHFFFAOYSA-N 0 0 447.516 4.953 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1 ZINC000009670936 569558469 /nfs/dbraw/zinc/55/84/69/569558469.db2.gz RTUJEMIYSQAYEF-UHFFFAOYSA-N 0 0 441.582 4.790 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000009674100 569559042 /nfs/dbraw/zinc/55/90/42/569559042.db2.gz MOPSCTQKJFJFIF-SFHVURJKSA-N 0 0 445.947 4.924 50 0 IJAARN COCCCNC(=O)CSc1nc(-c2ccc(SC)cc2)[nH]c1-c1ccccc1 ZINC000009674157 569559106 /nfs/dbraw/zinc/55/91/06/569559106.db2.gz MPPZNCWPSHELKW-UHFFFAOYSA-N 0 0 427.595 4.710 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000009679302 569559904 /nfs/dbraw/zinc/55/99/04/569559904.db2.gz LNFFEGLEOLLZEK-XMMPIXPASA-N 0 0 438.487 4.707 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009679253 569559974 /nfs/dbraw/zinc/55/99/74/569559974.db2.gz NEXSJYUDFAYPQF-XMMPIXPASA-N 0 0 439.471 4.709 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N(C)c3ccccc3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682067 569560300 /nfs/dbraw/zinc/56/03/00/569560300.db2.gz DYTAWAXSVKDENS-UHFFFAOYSA-N 0 0 436.515 4.771 50 0 IJAARN CCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1C ZINC000009683543 569560376 /nfs/dbraw/zinc/56/03/76/569560376.db2.gz QMNIMBGYEJMBSC-UHFFFAOYSA-N 0 0 435.574 4.651 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(Br)c1 ZINC000009685660 569560714 /nfs/dbraw/zinc/56/07/14/569560714.db2.gz OIHYMFLLALLOLM-UHFFFAOYSA-N 0 0 447.354 4.867 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000009704146 569561388 /nfs/dbraw/zinc/56/13/88/569561388.db2.gz NQGAKQKAERUIES-ZDUSSCGKSA-N 0 0 425.901 4.695 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 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569579750 /nfs/dbraw/zinc/57/97/50/569579750.db2.gz LNRUSJDLBFBEBG-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1C ZINC000010253563 569579948 /nfs/dbraw/zinc/57/99/48/569579948.db2.gz KWYQOFXDMMDNPE-UHFFFAOYSA-N 0 0 430.551 4.562 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(C(C)C)c3)C2=O)cc1 ZINC000071768979 569580870 /nfs/dbraw/zinc/58/08/70/569580870.db2.gz BAAGUWSRUKPUPS-UHFFFAOYSA-N 0 0 433.552 4.749 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337031 569581183 /nfs/dbraw/zinc/58/11/83/569581183.db2.gz UZCVFKYSSPHPOG-YADHBBJMSA-N 0 0 428.883 4.590 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@H]2c2cccc(C#N)c2)no1 ZINC000010355463 569581436 /nfs/dbraw/zinc/58/14/36/569581436.db2.gz PZPOYSRQNIVZFI-QFIPXVFZSA-N 0 0 443.532 4.512 50 0 IJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000010422268 569581980 /nfs/dbraw/zinc/58/19/80/569581980.db2.gz XJEBPJTZYVJVEW-UHFFFAOYSA-N 0 0 432.915 4.967 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(C)=O)cc1 ZINC000010434541 569582130 /nfs/dbraw/zinc/58/21/30/569582130.db2.gz ZMBDVVJXCKALBN-QHCPKHFHSA-N 0 0 426.476 4.839 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1F ZINC000010449227 569582297 /nfs/dbraw/zinc/58/22/97/569582297.db2.gz IRUMFMGMJKPJAC-UHFFFAOYSA-N 0 0 425.489 4.844 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)NC2CCCC2)nn1 ZINC000010456016 569582361 /nfs/dbraw/zinc/58/23/61/569582361.db2.gz SZSBUYUKDQXTTF-UHFFFAOYSA-N 0 0 428.558 4.866 50 0 IJAARN O=C(CSc1ccc(F)cc1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077099579 569585244 /nfs/dbraw/zinc/58/52/44/569585244.db2.gz BCCCASSPHCOERC-UHFFFAOYSA-N 0 0 437.418 4.613 50 0 IJAARN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000017719835 569587051 /nfs/dbraw/zinc/58/70/51/569587051.db2.gz JVAJARJQHPEVSF-UHFFFAOYSA-N 0 0 429.469 4.786 50 0 IJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)c2)cc1OC ZINC000023458383 569587289 /nfs/dbraw/zinc/58/72/89/569587289.db2.gz LGPOIEYBAVGINL-PKTZIBPZSA-N 0 0 439.515 4.842 50 0 IJAARN Cc1ccc(/C=C\C(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=C2SCCS2)cc1 ZINC000033669784 569587513 /nfs/dbraw/zinc/58/75/13/569587513.db2.gz HAOATNNTSJQGHR-KTKRTIGZSA-N 0 0 426.519 4.816 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc(Cl)cc4)c3n2)cc1 ZINC000000649072 193871429 /nfs/dbraw/zinc/87/14/29/193871429.db2.gz VKZJPBHZNDYRAC-UHFFFAOYSA-N 0 0 442.853 4.926 50 0 IJAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC(F)F)c(OC)c3)c2C(=O)OC)C1 ZINC000000652999 193873157 /nfs/dbraw/zinc/87/31/57/193873157.db2.gz REJFOZDZCNXXPA-LLVKDONJSA-N 0 0 439.480 4.912 50 0 IJAARN CC(C)OCCCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009850453 193907677 /nfs/dbraw/zinc/90/76/77/193907677.db2.gz BHIDEVVUVCESQE-PKOBYXMFSA-N 0 0 443.009 4.622 50 0 IJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3cccc(OC)c3)CO2)cc1 ZINC000054278158 193930287 /nfs/dbraw/zinc/93/02/87/193930287.db2.gz CKAHCQWGVVAROY-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 IJAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)COCc3ccccc3)ccc21 ZINC000096276981 193952890 /nfs/dbraw/zinc/95/28/90/193952890.db2.gz JRKNLGRHEFDTOQ-UHFFFAOYSA-N 0 0 435.568 4.983 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009139978 132227090 /nfs/dbraw/zinc/22/70/90/132227090.db2.gz KYWBHOQDWKBKLU-JOCHJYFZSA-N 0 0 442.544 4.835 50 0 IJAARN O=C(CSCc1ccccc1Br)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000664453 132228743 /nfs/dbraw/zinc/22/87/43/132228743.db2.gz LAXYCXNRMFTSAH-UHFFFAOYSA-N 0 0 439.806 4.685 50 0 IJAARN Cc1ccccc1C(=O)OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000009354603 132230588 /nfs/dbraw/zinc/23/05/88/132230588.db2.gz ZDFQCOULDPKYTB-UHFFFAOYSA-N 0 0 442.515 4.592 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c(Cl)c1 ZINC000000806965 132230762 /nfs/dbraw/zinc/23/07/62/132230762.db2.gz GRVFRLGUARCOBZ-UHFFFAOYSA-N 0 0 434.367 4.859 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)Oc1ccccc1 ZINC000009569467 132234853 /nfs/dbraw/zinc/23/48/53/132234853.db2.gz SODAUPCLEJKVBD-UHFFFAOYSA-N 0 0 426.469 4.578 50 0 IJAARN COC(=O)c1cc(N2C(=O)c3cccc4cc(Br)cc(c43)C2=O)ccc1Cl ZINC000000996388 132236736 /nfs/dbraw/zinc/23/67/36/132236736.db2.gz UZDCFTVVBISCPY-UHFFFAOYSA-N 0 0 444.668 4.843 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc12 ZINC000002407923 132253902 /nfs/dbraw/zinc/25/39/02/132253902.db2.gz FEQMNWKUIDPXPV-UHFFFAOYSA-N 0 0 430.577 4.975 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N3CCCC[C@H]3C)c2c1C ZINC000002924440 132258917 /nfs/dbraw/zinc/25/89/17/132258917.db2.gz AULQHPLCWHTWIL-CYBMUJFWSA-N 0 0 438.553 4.726 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCc1ccc(F)cc1 ZINC000003053320 132261180 /nfs/dbraw/zinc/26/11/80/132261180.db2.gz KWJUTNKVYCYWCX-XKZIYDEJSA-N 0 0 436.483 4.761 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)N3CCCc4ccccc43)cc12 ZINC000003266067 132262914 /nfs/dbraw/zinc/26/29/14/132262914.db2.gz BDLGKKMRKRFQEN-UHFFFAOYSA-N 0 0 449.507 4.671 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000003420236 132265237 /nfs/dbraw/zinc/26/52/37/132265237.db2.gz XKHVVWZVFWUZDX-UHFFFAOYSA-N 0 0 436.987 4.781 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc2ccccc2c1 ZINC000006475511 132277353 /nfs/dbraw/zinc/27/73/53/132277353.db2.gz FSLRZHIOVHOORX-UHFFFAOYSA-N 0 0 425.488 4.648 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21 ZINC000006577428 132277722 /nfs/dbraw/zinc/27/77/22/132277722.db2.gz FPYHKMUGDKAWHQ-UHFFFAOYSA-N 0 0 436.968 4.918 50 0 aggregator IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(s2)c2ccccc2oc3=O)CC1 ZINC000008591275 132284076 /nfs/dbraw/zinc/28/40/76/132284076.db2.gz WKGNPTSABCLPIK-UHFFFAOYSA-N 0 0 438.936 4.932 50 0 IJAARN CCc1ccc(S(=O)(=O)c2cn(CC)c3cc(N4CCCCC4)c(F)cc3c2=O)cc1 ZINC000008596651 132285301 /nfs/dbraw/zinc/28/53/01/132285301.db2.gz QMQGVMUZTZVSOY-UHFFFAOYSA-N 0 0 442.556 4.546 50 0 IJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccc(F)cc5)CC4)c(C)c3cc12 ZINC000008791628 132294473 /nfs/dbraw/zinc/29/44/73/132294473.db2.gz RRPCMGQOEMEYOR-UHFFFAOYSA-N 0 0 448.494 4.577 50 0 biogenic IJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc1c2C ZINC000008791334 132294495 /nfs/dbraw/zinc/29/44/95/132294495.db2.gz TZTPPNVBZXWLRI-UHFFFAOYSA-N 0 0 444.531 4.746 50 0 biogenic IJAARN Cc1ccc(CNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)cc1 ZINC000008912799 132297796 /nfs/dbraw/zinc/29/77/96/132297796.db2.gz KTOXQFFDVIMFON-UHFFFAOYSA-N 0 0 434.540 4.825 50 0 IJAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009056688 132301274 /nfs/dbraw/zinc/30/12/74/132301274.db2.gz URAICDZFNNHJGM-UHFFFAOYSA-N 0 0 444.560 4.754 50 0 IJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)CC2)cc1 ZINC000009096562 132303060 /nfs/dbraw/zinc/30/30/60/132303060.db2.gz QSMJNAHWPGERJH-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN Cc1ccc([S@@](=O)Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000009115689 132303742 /nfs/dbraw/zinc/30/37/42/132303742.db2.gz DJWXBBAPNRSSPA-SSEXGKCCSA-N 0 0 442.968 4.512 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2cccs2)cc1 ZINC000009125628 132305213 /nfs/dbraw/zinc/30/52/13/132305213.db2.gz NBLUEIZKDZHCFX-APWZRJJASA-N 0 0 438.578 4.908 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2oc1-c1ccccc1 ZINC000009140002 132306660 /nfs/dbraw/zinc/30/66/60/132306660.db2.gz WSEFERZQIHGSNT-UHFFFAOYSA-N 0 0 442.490 4.870 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](C)CCc1ccccc1 ZINC000009250401 132310823 /nfs/dbraw/zinc/31/08/23/132310823.db2.gz IFFPIKIMOPXPJF-LJQANCHMSA-N 0 0 448.588 4.562 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccco1 ZINC000009468401 132318500 /nfs/dbraw/zinc/31/85/00/132318500.db2.gz RJDMSZKHJFWDJH-UHFFFAOYSA-N 0 0 443.425 4.513 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009549018 132321238 /nfs/dbraw/zinc/32/12/38/132321238.db2.gz PCPHPGSUUZUXRF-HXUWFJFHSA-N 0 0 428.517 4.731 50 0 IJAARN COc1ccc(OC)c2c1CN(c1nc(C)nc3scc(-c4ccccc4)c31)C[C@H]2O ZINC000009548063 132321241 /nfs/dbraw/zinc/32/12/41/132321241.db2.gz GNDOGVBCNWFFCO-GOSISDBHSA-N 0 0 433.533 4.738 50 0 IJAARN O=C(/C=C/c1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009584033 132322386 /nfs/dbraw/zinc/32/23/86/132322386.db2.gz ZQAQNYCGIJFYIW-BQYQJAHWSA-N 0 0 433.455 4.804 50 0 IJAARN Fc1cccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009762064 132328420 /nfs/dbraw/zinc/32/84/20/132328420.db2.gz OGVZQSBHSTZXFZ-UHFFFAOYSA-N 0 0 435.290 4.641 50 0 IJAARN C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009945596 132332550 /nfs/dbraw/zinc/33/25/50/132332550.db2.gz NNSOYEAFTKLRRU-HNNXBMFYSA-N 0 0 428.517 4.749 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000010035056 132334124 /nfs/dbraw/zinc/33/41/24/132334124.db2.gz VDRWSQRHDVUFIM-UHFFFAOYSA-N 0 0 439.737 4.508 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccc(F)c1 ZINC000010035057 132334135 /nfs/dbraw/zinc/33/41/35/132334135.db2.gz WMMMESCGZPBKPZ-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN Cc1nc2ccccc2c(=O)n1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000013013081 132342448 /nfs/dbraw/zinc/34/24/48/132342448.db2.gz ZKTVIAVIKUSAAB-JOCHJYFZSA-N 0 0 427.529 4.585 50 0 IJAARN O=c1nc(CN2CCN(c3ccccc3)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000013038662 132342986 /nfs/dbraw/zinc/34/29/86/132342986.db2.gz NOHXIQDYNDIGEI-UHFFFAOYSA-N 0 0 436.968 4.627 50 0 IJAARN Cc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)CC1 ZINC000013041279 132343428 /nfs/dbraw/zinc/34/34/28/132343428.db2.gz SGADRXPQFWYZPD-UHFFFAOYSA-N 0 0 427.577 4.877 50 0 IJAARN CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)cc1OC ZINC000013060744 132343831 /nfs/dbraw/zinc/34/38/31/132343831.db2.gz OLDHQZSEADBSOP-CMDGGOBGSA-N 0 0 430.932 4.626 50 0 IJAARN CC1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)cc2)CC1 ZINC000013121461 132345415 /nfs/dbraw/zinc/34/54/15/132345415.db2.gz OITNJZMMPGYPAU-UHFFFAOYSA-N 0 0 438.531 4.874 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000013320501 132346334 /nfs/dbraw/zinc/34/63/34/132346334.db2.gz YRWNDHYFTFVHBS-UHFFFAOYSA-N 0 0 425.838 4.916 50 0 IJAARN CC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000012383366 518207539 /nfs/dbraw/zinc/20/75/39/518207539.db2.gz CMORVICBSKYKGU-OXNYHJJDSA-N 0 0 435.701 4.829 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)C2(c4ccccc4)CC2)C3)s1 ZINC000012278426 518295295 /nfs/dbraw/zinc/29/52/95/518295295.db2.gz IPRFOPFKHSHJDZ-IBGZPJMESA-N 0 0 435.520 4.908 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(-c4cccc(Cl)c4)nc3C)CC2)cc1 ZINC000012588263 518348529 /nfs/dbraw/zinc/34/85/29/518348529.db2.gz YIFWFHKFDCVHMU-UHFFFAOYSA-N 0 0 439.968 4.937 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)c1 ZINC000032999164 518444293 /nfs/dbraw/zinc/44/42/93/518444293.db2.gz AGTVGHGLDKOHNM-UHFFFAOYSA-N 0 0 441.491 4.953 50 0 IJAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012203581 518464781 /nfs/dbraw/zinc/46/47/81/518464781.db2.gz IICLLAQAKLKDBJ-OAQYLSRUSA-N 0 0 440.543 4.838 50 0 IJAARN CC(=O)c1ccccc1C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012203574 518464967 /nfs/dbraw/zinc/46/49/67/518464967.db2.gz IICLLAQAKLKDBJ-NRFANRHFSA-N 0 0 440.543 4.838 50 0 IJAARN CC(C)(C)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 ZINC000012814289 518556270 /nfs/dbraw/zinc/55/62/70/518556270.db2.gz ZXYWZMKUQZMVAS-UHFFFAOYSA-N 0 0 435.343 4.508 50 0 IJAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012564924 519039828 /nfs/dbraw/zinc/03/98/28/519039828.db2.gz CDPCIOYJFLISLY-UHFFFAOYSA-N 0 0 444.597 4.566 50 0 IJAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O ZINC000021937049 519278432 /nfs/dbraw/zinc/27/84/32/519278432.db2.gz PALHFVRERVIRDK-KUHUBIRLSA-N 0 0 438.528 4.591 50 0 IJAARN CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)[nH]n1 ZINC000012316651 519430628 /nfs/dbraw/zinc/43/06/28/519430628.db2.gz SFGSRGSDKRIBAY-UHFFFAOYSA-N 0 0 448.615 4.603 50 0 IJAARN CC(=O)N(c1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CCCC1 ZINC000044891501 519477814 /nfs/dbraw/zinc/47/78/14/519477814.db2.gz MTJJCXAQPZQKOV-UHFFFAOYSA-N 0 0 427.448 4.898 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586144 519499721 /nfs/dbraw/zinc/49/97/21/519499721.db2.gz QPJJHOLZIAKBSD-OAQYLSRUSA-N 0 0 435.911 4.781 50 0 biogenic IJAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 ZINC000033114866 519529829 /nfs/dbraw/zinc/52/98/29/519529829.db2.gz DFMLQPCSPAOVIP-UHFFFAOYSA-N 0 0 449.349 4.974 50 0 IJAARN CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000012562312 519632548 /nfs/dbraw/zinc/63/25/48/519632548.db2.gz IIWMMWIXNWTAQR-LLVKDONJSA-N 0 0 425.838 4.707 50 0 IJAARN CC(=O)N1N=C(c2cccc(C)n2)O[C@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000021092639 519638509 /nfs/dbraw/zinc/63/85/09/519638509.db2.gz VMNCTXXKXTXHKQ-QHCPKHFHSA-N 0 0 434.883 4.535 50 0 IJAARN CC(C)CCNC(=O)[C@H]1CN(C(=O)c2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042133 519661465 /nfs/dbraw/zinc/66/14/65/519661465.db2.gz UAFWSRPFNHSEEO-ROUUACIJSA-N 0 0 438.515 4.785 50 0 IJAARN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035907944 519661479 /nfs/dbraw/zinc/66/14/79/519661479.db2.gz AYAHQWHCPIBVJS-JTHBVZDNSA-N 0 0 445.529 4.735 50 0 IJAARN CC(C)CCNc1nc(C(=O)OCc2nc3sc4c(c3c(N)n2)CCCCC4)cs1 ZINC000012700875 519663873 /nfs/dbraw/zinc/66/38/73/519663873.db2.gz TVGUTKPNYGDYPW-UHFFFAOYSA-N 0 0 445.614 4.814 50 0 IJAARN CC(C)N1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 ZINC000012401585 519691322 /nfs/dbraw/zinc/69/13/22/519691322.db2.gz AKJOVEBCPJJVKE-UHFFFAOYSA-N 0 0 434.487 4.916 50 0 IJAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000021650378 519701874 /nfs/dbraw/zinc/70/18/74/519701874.db2.gz OBKFFIJGJDUSPH-UHFFFAOYSA-N 0 0 445.567 4.611 50 0 IJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)C2CC2)c1 ZINC000036014671 519712825 /nfs/dbraw/zinc/71/28/25/519712825.db2.gz QUIXNUVMOVKXHD-UHFFFAOYSA-N 0 0 428.964 4.741 50 0 IJAARN CC(C)NC(=O)c1ccc(CSc2nc(N3CCCC[C@@H]3C)cc(C(F)(F)F)n2)o1 ZINC000036038772 519716668 /nfs/dbraw/zinc/71/66/68/519716668.db2.gz ITDRQUVWHHVVCD-ZDUSSCGKSA-N 0 0 442.507 4.898 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1 ZINC000035684583 519724487 /nfs/dbraw/zinc/72/44/87/519724487.db2.gz BNFOWEWQMZQUQF-SFHVURJKSA-N 0 0 437.887 4.642 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000035684647 519724808 /nfs/dbraw/zinc/72/48/08/519724808.db2.gz GTCVDPBBVJMJQZ-SFHVURJKSA-N 0 0 437.887 4.642 50 0 IJAARN CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@H](c2cc(C)nc3ccccc32)O1 ZINC000021941365 519759673 /nfs/dbraw/zinc/75/96/73/519759673.db2.gz XYSRIHCSYDOELV-SANMLTNESA-N 0 0 439.471 4.861 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 ZINC000012468524 519762237 /nfs/dbraw/zinc/76/22/37/519762237.db2.gz SFCHZMLCEOMTIH-JOCHJYFZSA-N 0 0 425.916 4.796 50 0 IJAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936025 519828315 /nfs/dbraw/zinc/82/83/15/519828315.db2.gz YUDLSQWMIYGFDM-SCLBCKFNSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O ZINC000021852236 519833696 /nfs/dbraw/zinc/83/36/96/519833696.db2.gz SMKGAHJAPXLIIR-DEOSSOPVSA-N 0 0 442.991 4.524 50 0 IJAARN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022766854 519836834 /nfs/dbraw/zinc/83/68/34/519836834.db2.gz QDDCVITYTXBQJG-DEOSSOPVSA-N 0 0 447.604 4.726 50 0 IJAARN CC(C)c1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000021762838 519836992 /nfs/dbraw/zinc/83/69/92/519836992.db2.gz NQTSVDNRSJUSLU-UHFFFAOYSA-N 0 0 449.473 4.622 50 0 IJAARN CC(C)c1csc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597594 519853327 /nfs/dbraw/zinc/85/33/27/519853327.db2.gz BFIIQFBCPOFQGH-KRWDZBQOSA-N 0 0 432.033 4.980 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000012535446 519877366 /nfs/dbraw/zinc/87/73/66/519877366.db2.gz ATEVBSFHDWFFRK-CQSZACIVSA-N 0 0 439.899 4.897 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000021112405 519877465 /nfs/dbraw/zinc/87/74/65/519877465.db2.gz HHDSJCZEPCTNCM-FOCLMDBBSA-N 0 0 445.519 4.667 50 0 IJAARN CC(C)c1nn(-c2ccccc2)c2sc(C(=O)NCCCNC(=O)c3ccccc3)cc12 ZINC000035989076 519881842 /nfs/dbraw/zinc/88/18/42/519881842.db2.gz YLWKWCHYDGOREI-UHFFFAOYSA-N 0 0 446.576 4.760 50 0 IJAARN CCCNC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035978178 519883408 /nfs/dbraw/zinc/88/34/08/519883408.db2.gz QXHTUAFGNZOHPL-UHFFFAOYSA-N 0 0 436.556 4.795 50 0 IJAARN CC(C)n1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033273900 519922832 /nfs/dbraw/zinc/92/28/32/519922832.db2.gz OSATXQRJKBEBPB-UHFFFAOYSA-N 0 0 432.549 4.714 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccc(OC)cc2c1C ZINC000012928288 520367802 /nfs/dbraw/zinc/36/78/02/520367802.db2.gz AYPHZTNIFNJKHU-UHFFFAOYSA-N 0 0 434.414 4.869 50 0 IJAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1 ZINC000035712954 520545151 /nfs/dbraw/zinc/54/51/51/520545151.db2.gz CRWPFLHGRQMSTF-UHFFFAOYSA-N 0 0 444.373 4.784 50 0 IJAARN CC1(C)C[C@@]1(CNC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccccc1 ZINC000012591418 520545929 /nfs/dbraw/zinc/54/59/29/520545929.db2.gz XPZHBDBYOQKMNY-AREMUKBSSA-N 0 0 428.536 4.558 50 0 IJAARN CC1(C)Cc2c(sc3ncn4nc(OCc5ccc(Br)cc5)nc4c23)CO1 ZINC000012391684 520576316 /nfs/dbraw/zinc/57/63/16/520576316.db2.gz VNRKJKNITKMFAI-UHFFFAOYSA-N 0 0 445.342 4.532 50 0 IJAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](Cc4ccccc4)C[C@@H]32)C(=O)O1 ZINC000016957446 520606167 /nfs/dbraw/zinc/60/61/67/520606167.db2.gz GGWQNCHYUDPHSC-DYESRHJHSA-N 0 0 439.939 4.546 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)N[C@@H]2CCc3ccccc32)=Nc2ccccc2N1 ZINC000035480742 520610937 /nfs/dbraw/zinc/61/09/37/520610937.db2.gz AXNZOGZIIATMJP-LJQANCHMSA-N 0 0 435.549 4.516 50 0 IJAARN CCCCNc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 ZINC000012823610 520699810 /nfs/dbraw/zinc/69/98/10/520699810.db2.gz JSNOFFIKYSKPHH-UHFFFAOYSA-N 0 0 428.587 4.544 50 0 IJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)cc1Br)O[C@H](C)C2 ZINC000012739803 520796776 /nfs/dbraw/zinc/79/67/76/520796776.db2.gz PSVMIFDKJVJPAK-ZIAGYGMSSA-N 0 0 433.346 4.919 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cc(C)ccc1C)CC2 ZINC000021043959 520797564 /nfs/dbraw/zinc/79/75/64/520797564.db2.gz PAOHCBDYBRWDST-OAQYLSRUSA-N 0 0 440.540 4.795 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)CCc2ccco2)c1 ZINC000012783894 520807467 /nfs/dbraw/zinc/80/74/67/520807467.db2.gz ZUGGIEYRFVFCFK-UHFFFAOYSA-N 0 0 442.537 4.674 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2ccco2)c1 ZINC000012775972 520808055 /nfs/dbraw/zinc/80/80/55/520808055.db2.gz IJGHOBWGNQBYCN-UHFFFAOYSA-N 0 0 428.510 4.663 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)c2cccs2)c1 ZINC000012775318 520808177 /nfs/dbraw/zinc/80/81/77/520808177.db2.gz ZMSPYVYXQHPQKH-UHFFFAOYSA-N 0 0 430.551 4.823 50 0 IJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000012441041 520809602 /nfs/dbraw/zinc/80/96/02/520809602.db2.gz JNVJPRFRJIILQG-UHFFFAOYSA-N 0 0 425.916 4.690 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(C)c4)c3C)c(C)o2)cc1 ZINC000012415833 520816942 /nfs/dbraw/zinc/81/69/42/520816942.db2.gz DZSUDSMUETWADS-UHFFFAOYSA-N 0 0 446.507 4.912 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 ZINC000017100063 520823064 /nfs/dbraw/zinc/82/30/64/520823064.db2.gz HVAGEMSHEJVDCO-UHFFFAOYSA-N 0 0 436.459 4.630 50 0 IJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(OC)c(OC)c5)nn4cnc32)cc1 ZINC000021801395 520831025 /nfs/dbraw/zinc/83/10/25/520831025.db2.gz HLNTZNKMXYTTMP-UHFFFAOYSA-N 0 0 443.507 4.768 50 0 IJAARN CCOC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000020932645 520858330 /nfs/dbraw/zinc/85/83/30/520858330.db2.gz AOXHKUVPRRONIN-XMMPIXPASA-N 0 0 441.593 4.976 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)C(=O)[C@@H]2C1 ZINC000017987874 520875864 /nfs/dbraw/zinc/87/58/64/520875864.db2.gz DCHFIUKDCSASNW-IAGOWNOFSA-N 0 0 428.410 4.803 50 0 IJAARN CCCCOc1ccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 ZINC000022506387 520887166 /nfs/dbraw/zinc/88/71/66/520887166.db2.gz YQIOWDAMWPLWGU-UHFFFAOYSA-N 0 0 437.949 4.703 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1 ZINC000033268658 520918905 /nfs/dbraw/zinc/91/89/05/520918905.db2.gz BPBFWDVBYDJNKF-UHFFFAOYSA-N 0 0 449.894 4.578 50 0 IJAARN CCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2Cl)cc1 ZINC000012441284 520939318 /nfs/dbraw/zinc/93/93/18/520939318.db2.gz ALUYVPYAOURDQK-UHFFFAOYSA-N 0 0 436.899 4.638 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(OC)c2)CC1 ZINC000035887644 521016115 /nfs/dbraw/zinc/01/61/15/521016115.db2.gz FOCAMGDKBXVEMD-JOCHJYFZSA-N 0 0 438.616 4.558 50 0 IJAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@@H]2NC(=S)N(CC)C(CC)=C2C(=O)OC)cc1 ZINC000035729588 521020532 /nfs/dbraw/zinc/02/05/32/521020532.db2.gz WKPPEIBDUWUJHX-IERDGZPVSA-N 0 0 445.629 4.930 50 0 IJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000035925822 521072099 /nfs/dbraw/zinc/07/20/99/521072099.db2.gz PTLBICCVSODORQ-IBGZPJMESA-N 0 0 448.615 4.804 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000015536923 521168445 /nfs/dbraw/zinc/16/84/45/521168445.db2.gz NGWQRVCUYDHBLO-UHFFFAOYSA-N 0 0 430.460 4.537 50 0 IJAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2csc(C(C)=O)c2)C1 ZINC000012575781 521180435 /nfs/dbraw/zinc/18/04/35/521180435.db2.gz LYPBSUSUMPGSNL-JOCHJYFZSA-N 0 0 433.957 4.632 50 0 IJAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cc1 ZINC000024751480 521197226 /nfs/dbraw/zinc/19/72/26/521197226.db2.gz ZMCULJIREJKGHD-UHFFFAOYSA-N 0 0 441.578 4.538 50 0 IJAARN CCC(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000035422758 521206333 /nfs/dbraw/zinc/20/63/33/521206333.db2.gz JJQINVIVAFYEKL-UHFFFAOYSA-N 0 0 443.547 4.645 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530630 521262316 /nfs/dbraw/zinc/26/23/16/521262316.db2.gz UXIGRAZQIJHJRY-QFIPXVFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCOc1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C(C)C)cc1OCC ZINC000022424237 521263576 /nfs/dbraw/zinc/26/35/76/521263576.db2.gz OFFHFHMENUWILZ-WZONZLPQSA-N 0 0 428.504 4.562 50 0 IJAARN CCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccc(Cl)cc1 ZINC000036012429 521284559 /nfs/dbraw/zinc/28/45/59/521284559.db2.gz DWIIRPLKKPGWRX-UHFFFAOYSA-N 0 0 430.888 4.683 50 0 IJAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(C(=O)CC(C)C)CC2)n1 ZINC000035912822 521311058 /nfs/dbraw/zinc/31/10/58/521311058.db2.gz OIEHFPLJEHIFJR-UHFFFAOYSA-N 0 0 448.615 4.551 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000012788265 521324224 /nfs/dbraw/zinc/32/42/24/521324224.db2.gz GOIJNNXOPUXTJJ-UHFFFAOYSA-N 0 0 428.579 4.968 50 0 IJAARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=O)NC3=O)c1C)CCCC2 ZINC000012436679 521415283 /nfs/dbraw/zinc/41/52/83/521415283.db2.gz MMUIQPBEWATPHE-MHWRWJLKSA-N 0 0 430.551 4.535 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000020760364 521424249 /nfs/dbraw/zinc/42/42/49/521424249.db2.gz UYNSPRAVMCDDMR-IEGUWTFLSA-N 0 0 440.584 4.980 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000020760373 521424358 /nfs/dbraw/zinc/42/43/58/521424358.db2.gz UYNSPRAVMCDDMR-IUKKYPGJSA-N 0 0 440.584 4.980 50 0 IJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C(=O)CC(C)C ZINC000036030571 521433184 /nfs/dbraw/zinc/43/31/84/521433184.db2.gz NLZDSXYZRDHUEG-UHFFFAOYSA-N 0 0 445.629 4.757 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(OC)cc3)C2=O)cc1 ZINC000012603253 521484225 /nfs/dbraw/zinc/48/42/25/521484225.db2.gz NKMPNTWVOAGTLT-KQWNVCNZSA-N 0 0 442.471 4.512 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000020515234 521501113 /nfs/dbraw/zinc/50/11/13/521501113.db2.gz MNBJCRNYWOIPBY-GDLZYMKVSA-N 0 0 431.941 4.711 50 0 IJAARN CCCN(C)c1cc(Cl)nc(SCc2cccc(C(=O)NCc3ccncc3)c2)n1 ZINC000035708460 521515489 /nfs/dbraw/zinc/51/54/89/521515489.db2.gz AGLGDKNYMKYFAV-UHFFFAOYSA-N 0 0 441.988 4.594 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000035765908 521533523 /nfs/dbraw/zinc/53/35/23/521533523.db2.gz VRZAWNZQXOEQOP-UHFFFAOYSA-N 0 0 448.563 4.607 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1F)C(=O)c1ccc(CC)cc1 ZINC000035829851 521540032 /nfs/dbraw/zinc/54/00/32/521540032.db2.gz ZXGDMENBZBHMRU-AREMUKBSSA-N 0 0 447.554 4.674 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@H](C)C3 ZINC000035865965 521544429 /nfs/dbraw/zinc/54/44/29/521544429.db2.gz IIBQLIKSHVEGII-KRWDZBQOSA-N 0 0 434.609 4.731 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000012630579 521551565 /nfs/dbraw/zinc/55/15/65/521551565.db2.gz VMTJIMAROLDZPN-UHFFFAOYSA-N 0 0 430.282 4.561 50 0 IJAARN CCCN(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(=O)[C@H](CC)c1ccccc1 ZINC000034883084 521554852 /nfs/dbraw/zinc/55/48/52/521554852.db2.gz RBHIWJQGCYBIPR-HXUWFJFHSA-N 0 0 436.581 4.884 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445877 521573460 /nfs/dbraw/zinc/57/34/60/521573460.db2.gz VNYVDCVYVAETGH-WOJBJXKFSA-N 0 0 441.988 4.844 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccccc1F ZINC000012390152 521620372 /nfs/dbraw/zinc/62/03/72/521620372.db2.gz MMLRHOWAAFTLDI-UHFFFAOYSA-N 0 0 444.528 4.748 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)nsc2c1=O ZINC000033300216 521633857 /nfs/dbraw/zinc/63/38/57/521633857.db2.gz HXIZREWUCYHLPU-UHFFFAOYSA-N 0 0 436.562 4.661 50 0 IJAARN CCCn1nc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c2ccccc2c1=O ZINC000012632003 521664458 /nfs/dbraw/zinc/66/44/58/521664458.db2.gz FRKBYUUPTKZSPC-UHFFFAOYSA-N 0 0 441.535 4.597 50 0 IJAARN CCOCCCN(Cc1nc(C(=O)OC)cs1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016457756 521705340 /nfs/dbraw/zinc/70/53/40/521705340.db2.gz RGIHOZDRNOQURX-UHFFFAOYSA-N 0 0 446.356 4.697 50 0 IJAARN CCNC(=O)N(CCOC)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000035973040 521739383 /nfs/dbraw/zinc/73/93/83/521739383.db2.gz RXNXDCYKMHLLDT-UHFFFAOYSA-N 0 0 440.519 4.544 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037385537 521752036 /nfs/dbraw/zinc/75/20/36/521752036.db2.gz UPDRWXGSZWFBHO-UHFFFAOYSA-N 0 0 434.521 4.582 50 0 IJAARN CCc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000035533613 521753874 /nfs/dbraw/zinc/75/38/74/521753874.db2.gz GRPTVUUBCPAORU-CQSZACIVSA-N 0 0 427.599 4.616 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(Br)cc4)CCC(=O)N23)c1 ZINC000012754252 521765223 /nfs/dbraw/zinc/76/52/23/521765223.db2.gz VOMOFFSQEURLIP-GHTZIAJQSA-N 0 0 445.382 4.541 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910655 521793087 /nfs/dbraw/zinc/79/30/87/521793087.db2.gz YVYXRUNJCMYKQQ-QFIPXVFZSA-N 0 0 443.547 4.981 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC000035769056 521821027 /nfs/dbraw/zinc/82/10/27/521821027.db2.gz PFUNKMRFPKCZEX-RUZDIDTESA-N 0 0 442.607 4.835 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035723671 521845321 /nfs/dbraw/zinc/84/53/21/521845321.db2.gz QRUIEQXTXUQHLC-IFXJQAMLSA-N 0 0 442.972 4.571 50 0 IJAARN CC[C@@H](C(=O)NCc1cccc(OC)c1)N1C(=O)CSc2ccc(C(C)(C)C)cc21 ZINC000002954185 521851797 /nfs/dbraw/zinc/85/17/97/521851797.db2.gz ZBYDPLDJYMDXRF-IBGZPJMESA-N 0 0 426.582 4.526 50 0 IJAARN CC[C@@H](C(=O)Nc1c(F)c(F)cc(F)c1F)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020463828 521864813 /nfs/dbraw/zinc/86/48/13/521864813.db2.gz FJFXWSOYOBBQIX-KRWDZBQOSA-N 0 0 433.405 4.673 50 0 IJAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000035533473 521879812 /nfs/dbraw/zinc/87/98/12/521879812.db2.gz SMQKFCVRUYLMEN-CQSZACIVSA-N 0 0 427.599 4.616 50 0 IJAARN COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)[C@@H]1CCOC(C)(C)C1)C2 ZINC000012281324 521897678 /nfs/dbraw/zinc/89/76/78/521897678.db2.gz LIHIPZIWAOFOFN-QGZVFWFLSA-N 0 0 429.944 4.942 50 0 IJAARN COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc(OC)c1O ZINC000035606454 521906727 /nfs/dbraw/zinc/90/67/27/521906727.db2.gz GULNQLOHHWZOPX-UHFFFAOYSA-N 0 0 433.464 4.547 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc(OC)c1OC ZINC000022462035 521912087 /nfs/dbraw/zinc/91/20/87/521912087.db2.gz NDVGUICONJFEKE-ZHACJKMWSA-N 0 0 447.447 4.674 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000012775803 522074681 /nfs/dbraw/zinc/07/46/81/522074681.db2.gz IPNLFBWFQUKIBY-CYBMUJFWSA-N 0 0 436.986 4.738 50 0 IJAARN CN(C)c1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000036000534 522127464 /nfs/dbraw/zinc/12/74/64/522127464.db2.gz NTJYDATWRKNMHE-UHFFFAOYSA-N 0 0 444.510 4.827 50 0 IJAARN CC[C@@H](C)NC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000020279899 522141469 /nfs/dbraw/zinc/14/14/69/522141469.db2.gz OSIJAESTEXDPTD-OAHLLOKOSA-N 0 0 439.991 4.798 50 0 IJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc5c4CCCC5)c(C)n3)cc2)no1 ZINC000033258558 522146023 /nfs/dbraw/zinc/14/60/23/522146023.db2.gz NWFANEQTNDDVIU-UHFFFAOYSA-N 0 0 427.508 4.924 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012196683 522167171 /nfs/dbraw/zinc/16/71/71/522167171.db2.gz NZBTVZASNQQZPX-RDGATRHJSA-N 0 0 444.487 4.733 50 0 IJAARN CCc1nc(C)c(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)[nH]1 ZINC000012306538 522201476 /nfs/dbraw/zinc/20/14/76/522201476.db2.gz LGFARSSESCMQON-UHFFFAOYSA-N 0 0 445.007 4.603 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000035928518 522220992 /nfs/dbraw/zinc/22/09/92/522220992.db2.gz WWIJQFAWLIYFOE-DEOSSOPVSA-N 0 0 435.524 4.923 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Cl)c(C)c(Cl)c2o1 ZINC000012372431 522272008 /nfs/dbraw/zinc/27/20/08/522272008.db2.gz STUMLWQVOWCFEO-UHFFFAOYSA-N 0 0 425.293 4.960 50 0 IJAARN COc1cc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000021898692 522325271 /nfs/dbraw/zinc/32/52/71/522325271.db2.gz KVGKEAOIADORAZ-UHFFFAOYSA-N 0 0 444.575 4.570 50 0 IJAARN COc1cc(CNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1OCc1ccccc1 ZINC000012551404 522405722 /nfs/dbraw/zinc/40/57/22/522405722.db2.gz UMRIKPOPJNHLFT-GXDHUFHOSA-N 0 0 439.515 4.790 50 0 IJAARN COc1cc(CSCc2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc(OC)c1 ZINC000012287308 522500990 /nfs/dbraw/zinc/50/09/90/522500990.db2.gz SLGYMPJWPYCSND-OAHLLOKOSA-N 0 0 444.578 5.000 50 0 IJAARN COc1cc(NC(=O)CN2CCc3cc(-c4csc(C)n4)ccc32)c(OC)cc1Cl ZINC000012594824 522662819 /nfs/dbraw/zinc/66/28/19/522662819.db2.gz KBCLNDAVTWEEED-UHFFFAOYSA-N 0 0 443.956 4.790 50 0 IJAARN CC[C@@H](NC(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1)C12CC3CC(CC(C3)C1)C2 ZINC000012185969 522678393 /nfs/dbraw/zinc/67/83/93/522678393.db2.gz XPBQKOYXKADBKL-MTMITBJLSA-N 0 0 440.603 4.908 50 0 IJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc23)o1 ZINC000035423011 522721992 /nfs/dbraw/zinc/72/19/92/522721992.db2.gz QEXNDBNRMFLADJ-UHFFFAOYSA-N 0 0 430.386 4.791 50 0 IJAARN COCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000035980700 522736091 /nfs/dbraw/zinc/73/60/91/522736091.db2.gz DFLBUNFEMSBLLT-UHFFFAOYSA-N 0 0 445.519 4.956 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445631 522806897 /nfs/dbraw/zinc/80/68/97/522806897.db2.gz PMLIRXAIKLSFQX-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN CCc1noc(CSc2nc3ccccc3c(=O)n2-c2cc(C)c(Cl)cc2OC)n1 ZINC000012746487 522898890 /nfs/dbraw/zinc/89/88/90/522898890.db2.gz PHPDIYOQQKIKPX-UHFFFAOYSA-N 0 0 442.928 4.594 50 0 IJAARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccccc1C ZINC000001120668 522899432 /nfs/dbraw/zinc/89/94/32/522899432.db2.gz QRKVDZDSCWBUEA-UHFFFAOYSA-N 0 0 431.410 4.731 50 0 IJAARN CC[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000012106049 522926625 /nfs/dbraw/zinc/92/66/25/522926625.db2.gz RLIUTWDSOVZRRE-IBGZPJMESA-N 0 0 433.537 4.664 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccccc3)cc1Cl)CC2 ZINC000019061293 523027549 /nfs/dbraw/zinc/02/75/49/523027549.db2.gz TXGTUDBJHBQFKM-UHFFFAOYSA-N 0 0 437.923 4.988 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000036043121 523036602 /nfs/dbraw/zinc/03/66/02/523036602.db2.gz PJSVLVUCKIHMGS-NIYFSFCBSA-N 0 0 430.548 4.622 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)N(Cc1ccccc1C)CC2 ZINC000036041053 523036922 /nfs/dbraw/zinc/03/69/22/523036922.db2.gz NUXWEYVGKJKKBU-RUZDIDTESA-N 0 0 444.575 4.850 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(F)cc1 ZINC000021935824 523078284 /nfs/dbraw/zinc/07/82/84/523078284.db2.gz BICPQAZGWQKTDA-RTBURBONSA-N 0 0 438.528 4.591 50 0 IJAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(NC(=O)CN3CCC(C)CC3)n2)cc1 ZINC000021659505 523081507 /nfs/dbraw/zinc/08/15/07/523081507.db2.gz UGYYUQXLNJTTHY-UHFFFAOYSA-N 0 0 430.552 4.798 50 0 IJAARN CCn1c(-c2ccccc2F)nc2cc(C(=O)N(C)Cc3ccco3)cc(NC(C)=O)c21 ZINC000012243409 523083447 /nfs/dbraw/zinc/08/34/47/523083447.db2.gz JDXXUVFPHAAISO-UHFFFAOYSA-N 0 0 434.471 4.686 50 0 IJAARN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012415705 523107003 /nfs/dbraw/zinc/10/70/03/523107003.db2.gz IOVHHXXFBIKMTQ-UHFFFAOYSA-N 0 0 432.427 4.778 50 0 IJAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)NC(C)C)no2)cc1OC ZINC000036019189 523109452 /nfs/dbraw/zinc/10/94/52/523109452.db2.gz GFNDHXVXLJWBDI-UHFFFAOYSA-N 0 0 427.476 4.618 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000035684695 523154130 /nfs/dbraw/zinc/15/41/30/523154130.db2.gz KYYFUSFRXJLEFG-QGZVFWFLSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 ZINC000012792443 523177455 /nfs/dbraw/zinc/17/74/55/523177455.db2.gz DKGNCTPDZPWGKF-UHFFFAOYSA-N 0 0 440.569 4.951 50 0 IJAARN COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)nn2-c2ccccc2Cl)cc1 ZINC000014610064 523188072 /nfs/dbraw/zinc/18/80/72/523188072.db2.gz FTLGWAZSLTXRBR-UHFFFAOYSA-N 0 0 432.911 4.869 50 0 IJAARN CN(Cc1ccc(Br)cc1)C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012528330 523195540 /nfs/dbraw/zinc/19/55/40/523195540.db2.gz AFNLLUXRAZVNGA-UHFFFAOYSA-N 0 0 427.298 4.674 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1OC ZINC000012248596 523259888 /nfs/dbraw/zinc/25/98/88/523259888.db2.gz DWKWALMNJDVHKK-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000022457630 523271748 /nfs/dbraw/zinc/27/17/48/523271748.db2.gz JXEGQOVGFDVSJO-UHFFFAOYSA-N 0 0 440.693 4.525 50 0 IJAARN COc1ccc(-c2noc(CSCC(=O)Nc3cccc(Cl)c3C)n2)cc1OC ZINC000032943009 523293762 /nfs/dbraw/zinc/29/37/62/523293762.db2.gz JEQMXCVQPVXQAR-UHFFFAOYSA-N 0 0 433.917 4.588 50 0 IJAARN CCn1c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605677 523294471 /nfs/dbraw/zinc/29/44/71/523294471.db2.gz IYJLKYAFKFENJF-UHFFFAOYSA-N 0 0 430.249 4.922 50 0 IJAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000020488452 523298974 /nfs/dbraw/zinc/29/89/74/523298974.db2.gz OEPHAUVMUAOBFX-UHFFFAOYSA-N 0 0 446.429 4.619 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)n2)cc1 ZINC000033447457 523304431 /nfs/dbraw/zinc/30/44/31/523304431.db2.gz RPVCPGWQZOLSAQ-YZOPDKEQSA-N 0 0 436.556 4.603 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3OC)cc2CN(Cc2ccccc2)C1=O ZINC000035873054 523421474 /nfs/dbraw/zinc/42/14/74/523421474.db2.gz RVRVWJDMBMGYRV-JOCHJYFZSA-N 0 0 430.504 4.647 50 0 IJAARN COc1ccc(/C=C\C(=O)Oc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000035330359 523431653 /nfs/dbraw/zinc/43/16/53/523431653.db2.gz KPOVFENDLYKIPF-ZROIWOOFSA-N 0 0 442.446 4.870 50 0 IJAARN CN(Cc1ccco1)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000014998634 523435644 /nfs/dbraw/zinc/43/56/44/523435644.db2.gz JCANRYWVNOYPAA-UHFFFAOYSA-N 0 0 425.945 4.833 50 0 IJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000012902077 523563750 /nfs/dbraw/zinc/56/37/50/523563750.db2.gz RUHWIOVIXXWJJM-UHFFFAOYSA-N 0 0 449.595 4.815 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035884919 523607299 /nfs/dbraw/zinc/60/72/99/523607299.db2.gz IDVBDQAHPRCXEX-QHCPKHFHSA-N 0 0 430.504 4.647 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3C)CC2)c2ccccc12 ZINC000012809749 523621097 /nfs/dbraw/zinc/62/10/97/523621097.db2.gz UTBNVKXUDLYFLI-UHFFFAOYSA-N 0 0 430.548 4.668 50 0 IJAARN CCn1nc(C)cc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012590656 523672851 /nfs/dbraw/zinc/67/28/51/523672851.db2.gz AEEVWTOOJLACAQ-MRXNPFEDSA-N 0 0 436.478 4.501 50 0 IJAARN CCn1ncc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c1C ZINC000020608205 523689104 /nfs/dbraw/zinc/68/91/04/523689104.db2.gz UJSOXDDMJUZBCU-UHFFFAOYSA-N 0 0 440.476 4.554 50 0 IJAARN CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O ZINC000012763732 523732625 /nfs/dbraw/zinc/73/26/25/523732625.db2.gz DAFKDUSXYJGHJX-UHFFFAOYSA-N 0 0 432.288 4.595 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035980417 523735600 /nfs/dbraw/zinc/73/56/00/523735600.db2.gz ADZKSECRXSJXKC-UHFFFAOYSA-N 0 0 439.943 4.918 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)NC(C)C ZINC000035978684 523735795 /nfs/dbraw/zinc/73/57/95/523735795.db2.gz KZFKBGWSUGNPPD-UHFFFAOYSA-N 0 0 440.519 4.585 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)C(C)C ZINC000035980227 523735924 /nfs/dbraw/zinc/73/59/24/523735924.db2.gz VVCULCUOLPMFGN-UHFFFAOYSA-N 0 0 437.540 4.519 50 0 IJAARN CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)c(Cl)cc12 ZINC000012884418 523744249 /nfs/dbraw/zinc/74/42/49/523744249.db2.gz SZXLCQJZRUOPQX-AWEZNQCLSA-N 0 0 438.911 4.616 50 0 biogenic IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C)c2)CC1)c1ccccc1 ZINC000035887764 523762923 /nfs/dbraw/zinc/76/29/23/523762923.db2.gz UWKHMQPVGXCENH-VWLOTQADSA-N 0 0 442.607 4.835 50 0 IJAARN COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)COc3ccccc3OC)nc21 ZINC000022855242 523797905 /nfs/dbraw/zinc/79/79/05/523797905.db2.gz JLMSBUCRDKRJGI-UHFFFAOYSA-N 0 0 449.532 4.629 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C)cc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563418 523799740 /nfs/dbraw/zinc/79/97/40/523799740.db2.gz ZYVHNGCVTARDJJ-HXUWFJFHSA-N 0 0 449.942 4.751 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563719 523803146 /nfs/dbraw/zinc/80/31/46/523803146.db2.gz HDHMRIDILJGAOO-HXUWFJFHSA-N 0 0 449.942 4.751 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2Cl)C12CCCCC2 ZINC000020723683 523809159 /nfs/dbraw/zinc/80/91/59/523809159.db2.gz GRDJBMBFCDMAFG-NRFANRHFSA-N 0 0 426.944 4.867 50 0 IJAARN CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000009788971 523835302 /nfs/dbraw/zinc/83/53/02/523835302.db2.gz LXYWPSAJTIDXKW-XMMPIXPASA-N 0 0 428.532 4.531 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)NC(C)(C)C)C2)cc1 ZINC000035944466 523879292 /nfs/dbraw/zinc/87/92/92/523879292.db2.gz RVQOXAFPUDPWNQ-HXUWFJFHSA-N 0 0 429.948 4.852 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C(C)C)C2)cc1 ZINC000035944425 523880793 /nfs/dbraw/zinc/88/07/93/523880793.db2.gz MZBRFYGSOXWTRN-FQEVSTJZSA-N 0 0 434.458 4.892 50 0 IJAARN CN1CCN(C(=O)c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000022467195 523883511 /nfs/dbraw/zinc/88/35/11/523883511.db2.gz QGVCRVKAFNDING-UHFFFAOYSA-N 0 0 448.375 4.848 50 0 IJAARN CCc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016742016 523918480 /nfs/dbraw/zinc/91/84/80/523918480.db2.gz BBMJCHDSJQCXQB-OAQYLSRUSA-N 0 0 439.577 4.750 50 0 IJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Cc1ccccc1 ZINC000035765120 523924528 /nfs/dbraw/zinc/92/45/28/523924528.db2.gz OVSQWASAOPHWHF-QFIPXVFZSA-N 0 0 432.564 4.721 50 0 IJAARN COc1ccc(CCNC(=O)Nc2c(N)n(-c3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000034785203 523964814 /nfs/dbraw/zinc/96/48/14/523964814.db2.gz ODMMDBZGMMVWLA-UHFFFAOYSA-N 0 0 445.498 4.633 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 ZINC000021195271 524001028 /nfs/dbraw/zinc/00/10/28/524001028.db2.gz BFOJYEMRUFNGJH-UHFFFAOYSA-N 0 0 440.609 4.851 50 0 IJAARN CN1c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2S1(=O)=O ZINC000033088657 524031571 /nfs/dbraw/zinc/03/15/71/524031571.db2.gz OIGRNCUUELDVBW-UHFFFAOYSA-N 0 0 432.423 4.763 50 0 IJAARN CCc1ccc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034709148 524039951 /nfs/dbraw/zinc/03/99/51/524039951.db2.gz UKRMCUSOZPAQLY-FGZHOGPDSA-N 0 0 434.511 4.543 50 0 IJAARN CCc1ccc([C@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034709149 524056256 /nfs/dbraw/zinc/05/62/56/524056256.db2.gz UKRMCUSOZPAQLY-FCHUYYIVSA-N 0 0 434.511 4.543 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN31)C(=O)N2 ZINC000012130210 524059801 /nfs/dbraw/zinc/05/98/01/524059801.db2.gz XUOGEOZHIBMGRM-CYFREDJKSA-N 0 0 431.517 4.668 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 ZINC000014428082 524066021 /nfs/dbraw/zinc/06/60/21/524066021.db2.gz DIJXSPCCGZYQRA-UHFFFAOYSA-N 0 0 438.549 4.643 50 0 IJAARN COc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012419579 524107755 /nfs/dbraw/zinc/10/77/55/524107755.db2.gz SCUWBFGMMJDWJZ-UHFFFAOYSA-N 0 0 426.519 4.857 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021852448 524119843 /nfs/dbraw/zinc/11/98/43/524119843.db2.gz HKODQFZJTQLDSM-SANMLTNESA-N 0 0 434.584 4.635 50 0 IJAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)o2)c1 ZINC000021721652 524127546 /nfs/dbraw/zinc/12/75/46/524127546.db2.gz LPZXVMCDLQXYRH-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 ZINC000021100508 524150561 /nfs/dbraw/zinc/15/05/61/524150561.db2.gz VHMCDPYKQZEYSW-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C)C[C@H]2CCCO2)c1 ZINC000035944749 524166772 /nfs/dbraw/zinc/16/67/72/524166772.db2.gz OLFDSRFVHMCSBW-XMMPIXPASA-N 0 0 449.595 4.621 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000021811377 524170727 /nfs/dbraw/zinc/17/07/27/524170727.db2.gz QPRNWNZDWQHSGN-RAWGQGSESA-N 0 0 425.573 4.867 50 0 IJAARN COc1ccc(Cl)cc1-c1nn(CN2CCC(C(=O)c3ccccc3)CC2)c(=S)[nH]1 ZINC000012924465 524191464 /nfs/dbraw/zinc/19/14/64/524191464.db2.gz MNANNTMMIUKSMQ-UHFFFAOYSA-N 0 0 442.972 4.822 50 0 IJAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)CC(C)C)no2)c(C)c1 ZINC000036015886 524209905 /nfs/dbraw/zinc/20/99/05/524209905.db2.gz FZDFOKLDGNXNIM-UHFFFAOYSA-N 0 0 425.573 4.768 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 ZINC000012444161 524229258 /nfs/dbraw/zinc/22/92/58/524229258.db2.gz YZISZVAIKHXQLH-UHFFFAOYSA-N 0 0 432.954 4.961 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 ZINC000035376368 524235818 /nfs/dbraw/zinc/23/58/18/524235818.db2.gz VJSRWBRNHYLDAL-UHFFFAOYSA-N 0 0 439.878 4.721 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561927 524243919 /nfs/dbraw/zinc/24/39/19/524243919.db2.gz JUHBNGXWKZNMNT-UXHICEINSA-N 0 0 431.580 4.794 50 0 IJAARN COc1cccc2cc(C(=O)Nc3cccc(-c4cn5c(cccc5C)n4)c3)c(=O)oc21 ZINC000012250891 524259886 /nfs/dbraw/zinc/25/98/86/524259886.db2.gz JKEYAFKUJZMUSR-UHFFFAOYSA-N 0 0 425.444 4.677 50 0 IJAARN COc1ccc(F)c(CN2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)c1 ZINC000012281634 524271804 /nfs/dbraw/zinc/27/18/04/524271804.db2.gz XWRUXVUUXXTFPV-AREMUKBSSA-N 0 0 437.511 4.515 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684769 524274142 /nfs/dbraw/zinc/27/41/42/524274142.db2.gz PXBOCLOCIWQVHA-INIZCTEOSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2cc3ccccc3o2)nnc1N1CCCCC1 ZINC000012606107 524301260 /nfs/dbraw/zinc/30/12/60/524301260.db2.gz CWZIXDYLRBGLAK-UHFFFAOYSA-N 0 0 448.548 4.987 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C(=O)CC(C)(C)C)C1 ZINC000035835544 524373482 /nfs/dbraw/zinc/37/34/82/524373482.db2.gz QNOGNZWOIJHDFG-SFHVURJKSA-N 0 0 430.495 4.931 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)C1 ZINC000035839621 524374144 /nfs/dbraw/zinc/37/41/44/524374144.db2.gz STSPPEXKFPIPPL-QFIPXVFZSA-N 0 0 447.510 4.739 50 0 IJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2)c(OC)c1 ZINC000035912379 524390446 /nfs/dbraw/zinc/39/04/46/524390446.db2.gz PJWIXWBFQDMJFP-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000012653055 524398027 /nfs/dbraw/zinc/39/80/27/524398027.db2.gz HEFBWWKAIOBIEH-CLCXKQKWSA-N 0 0 449.473 4.942 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1Cl ZINC000035398415 524473013 /nfs/dbraw/zinc/47/30/13/524473013.db2.gz SWYAJYKSKIJORS-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1Cl ZINC000012028689 524482791 /nfs/dbraw/zinc/48/27/91/524482791.db2.gz YHWSHZYRZXYUIW-HNNXBMFYSA-N 0 0 448.972 4.884 50 0 IJAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCCCOC(C)C)CC2)c1 ZINC000021159971 524492867 /nfs/dbraw/zinc/49/28/67/524492867.db2.gz GWWTXBNGVMQNKJ-UHFFFAOYSA-N 0 0 448.611 4.541 50 0 IJAARN Cc1cc(C)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1-c1nc(-c2ccccc2)no1 ZINC000016840317 524511759 /nfs/dbraw/zinc/51/17/59/524511759.db2.gz DZKZOJIZYOSLEI-UHFFFAOYSA-N 0 0 442.519 4.944 50 0 IJAARN COc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccccc4)cs3)c2C)c(OC)c1 ZINC000035477119 524523015 /nfs/dbraw/zinc/52/30/15/524523015.db2.gz PMVGDLRTSDZAQU-UHFFFAOYSA-N 0 0 448.548 4.811 50 0 IJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000035910492 524532737 /nfs/dbraw/zinc/53/27/37/524532737.db2.gz QCCKJEHQXXTXHC-JOCHJYFZSA-N 0 0 442.537 4.714 50 0 IJAARN Cc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1C ZINC000021863690 524536494 /nfs/dbraw/zinc/53/64/94/524536494.db2.gz JMVHKPUOJUPCNV-AREMUKBSSA-N 0 0 431.536 4.843 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)c1C ZINC000012553921 524545635 /nfs/dbraw/zinc/54/56/35/524545635.db2.gz XWODBAIJQBNVNT-UHFFFAOYSA-N 0 0 425.479 4.518 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)cc1 ZINC000009659794 524549832 /nfs/dbraw/zinc/54/98/32/524549832.db2.gz JXSWZCONIROERE-NRFANRHFSA-N 0 0 448.950 4.897 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(CN3C(=O)CSc4nc(C)cc(C)c43)cc2)cc1 ZINC000021872633 524557995 /nfs/dbraw/zinc/55/79/95/524557995.db2.gz REFHRZQHXMAMRM-UHFFFAOYSA-N 0 0 431.561 4.576 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccs2)CC1 ZINC000020857498 524560407 /nfs/dbraw/zinc/56/04/07/524560407.db2.gz JYRPPMBVPIGWJP-VGOFRKELSA-N 0 0 441.622 4.500 50 0 IJAARN Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc(Oc4ccccc4)o2)C3)n1 ZINC000012123067 524575079 /nfs/dbraw/zinc/57/50/79/524575079.db2.gz PCBGCXISFDHDBL-HXUWFJFHSA-N 0 0 441.487 4.879 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2[C@@H]1c1ccccc1 ZINC000012377966 524587584 /nfs/dbraw/zinc/58/75/84/524587584.db2.gz QPSZNLWXEBRDEL-OAQYLSRUSA-N 0 0 443.532 4.943 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)cc1 ZINC000033168880 524595096 /nfs/dbraw/zinc/59/50/96/524595096.db2.gz MNJUQCAMEIJWQK-GOSISDBHSA-N 0 0 434.565 4.800 50 0 IJAARN COc1ccccc1NC(=O)N1CCC2(CC1)N=C(SC)C(c1ccc(C)c(C)c1)=N2 ZINC000020578315 524611422 /nfs/dbraw/zinc/61/14/22/524611422.db2.gz MIQXHPVCUPQAJS-UHFFFAOYSA-N 0 0 436.581 4.900 50 0 IJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000012539426 524621000 /nfs/dbraw/zinc/62/10/00/524621000.db2.gz XIGQMELUGPSICE-LBPRGKRZSA-N 0 0 432.343 4.967 50 0 IJAARN COc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c(OC)c1 ZINC000021914971 524622156 /nfs/dbraw/zinc/62/21/56/524622156.db2.gz QIEIBNKYJMTEEA-UHFFFAOYSA-N 0 0 445.519 4.793 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(-n2nc(Sc3ccc(C)cc3)ccc2=O)cc1 ZINC000032999057 524625826 /nfs/dbraw/zinc/62/58/26/524625826.db2.gz IMVPKOIUHLUZKH-UHFFFAOYSA-N 0 0 443.528 4.953 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COCc2nc3ccccc3s2)cc1 ZINC000009666561 524628841 /nfs/dbraw/zinc/62/88/41/524628841.db2.gz PRZQZDVVIUHNOG-UHFFFAOYSA-N 0 0 447.516 4.713 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)N3CCc4ccccc43)c3ccccc23)cc1 ZINC000020532926 524639126 /nfs/dbraw/zinc/63/91/26/524639126.db2.gz IGWQHMRNYYECAG-UHFFFAOYSA-N 0 0 444.556 4.513 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(C(=O)C3CCCC3)C(C)C)n2C(C)C)cc1 ZINC000036040407 524639901 /nfs/dbraw/zinc/63/99/01/524639901.db2.gz HRHGXQYIUZCQSH-UHFFFAOYSA-N 0 0 445.629 4.674 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)c1C ZINC000021936018 524645374 /nfs/dbraw/zinc/64/53/74/524645374.db2.gz JHQAYUJBXREISM-OXQOHEQNSA-N 0 0 434.565 4.678 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ncnc3ccccc32)c1 ZINC000009663545 524662034 /nfs/dbraw/zinc/66/20/34/524662034.db2.gz OZJZDZKYNCZDBU-UHFFFAOYSA-N 0 0 428.517 4.921 50 0 IJAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000021114448 524714190 /nfs/dbraw/zinc/71/41/90/524714190.db2.gz DECOMUFPEHRNRO-UHFFFAOYSA-N 0 0 446.555 4.508 50 0 IJAARN Cc1ccc(Cl)c(O[C@@H](C)c2nnc(SCC(=O)NC3CCCCCC3)n2C)c1 ZINC000017101019 524714801 /nfs/dbraw/zinc/71/48/01/524714801.db2.gz VVPPLDNNNSBJIO-HNNXBMFYSA-N 0 0 437.009 4.848 50 0 IJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000014975305 524818242 /nfs/dbraw/zinc/81/82/42/524818242.db2.gz NUFIVTGISWDEBR-VWLOTQADSA-N 0 0 426.472 4.693 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3cccs3)C2=O)c1 ZINC000015412695 524844045 /nfs/dbraw/zinc/84/40/45/524844045.db2.gz HXGRJANTLJPJBJ-OAQYLSRUSA-N 0 0 442.924 4.540 50 0 IJAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)C[C@H](C)O1 ZINC000012624203 524851234 /nfs/dbraw/zinc/85/12/34/524851234.db2.gz XSIXBLLQKSBIHS-GASCZTMLSA-N 0 0 425.326 4.914 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)cc1 ZINC000020559200 524926262 /nfs/dbraw/zinc/92/62/62/524926262.db2.gz NQKFCOYUTLUXBJ-HXUWFJFHSA-N 0 0 427.932 4.861 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 ZINC000035166818 524985642 /nfs/dbraw/zinc/98/56/42/524985642.db2.gz VMRMWSNXOCIXDX-QGZVFWFLSA-N 0 0 447.922 4.892 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc4c(c3)OCO4)nc21 ZINC000022855240 524999055 /nfs/dbraw/zinc/99/90/55/524999055.db2.gz KIWLSGRFYSSRFF-PKNBQFBNSA-N 0 0 429.501 4.975 50 0 IJAARN Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000021654484 525012194 /nfs/dbraw/zinc/01/21/94/525012194.db2.gz JXTGCMCULWKIHJ-UHFFFAOYSA-N 0 0 431.580 4.916 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1F ZINC000021643929 525072505 /nfs/dbraw/zinc/07/25/05/525072505.db2.gz SJWURTBBXSKJED-LJQANCHMSA-N 0 0 438.528 4.511 50 0 IJAARN Cc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442022 525101411 /nfs/dbraw/zinc/10/14/11/525101411.db2.gz YOLXHJAUQSSMBX-YCRREMRBSA-N 0 0 448.479 4.824 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c(C)c1 ZINC000020532922 525103899 /nfs/dbraw/zinc/10/38/99/525103899.db2.gz JFYHCUKTLNKUOC-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998843 525163315 /nfs/dbraw/zinc/16/33/15/525163315.db2.gz IACZWIKBSGIRIQ-UHFFFAOYSA-N 0 0 445.519 4.761 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)NC(C)=O)cc1 ZINC000012483581 525172241 /nfs/dbraw/zinc/17/22/41/525172241.db2.gz FRKPYSXWKRKOND-HXUWFJFHSA-N 0 0 448.548 4.814 50 0 IJAARN COc1ccc([C@@H](NCC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 ZINC000012920913 525199222 /nfs/dbraw/zinc/19/92/22/525199222.db2.gz VWUGVUOMYSIIEO-QFIPXVFZSA-N 0 0 443.316 4.915 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(F)cc1F ZINC000020902765 525199239 /nfs/dbraw/zinc/19/92/39/525199239.db2.gz UYRUYTHJTCQECI-RUZDIDTESA-N 0 0 437.490 4.788 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc(C(C)=O)c2)cc1 ZINC000012558177 525238994 /nfs/dbraw/zinc/23/89/94/525238994.db2.gz MJDSSBXLIYBLKT-VWLOTQADSA-N 0 0 427.504 4.688 50 0 IJAARN Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441963 525240491 /nfs/dbraw/zinc/24/04/91/525240491.db2.gz JEZYRDRCCUPQSN-UHFFFAOYSA-N 0 0 442.500 4.971 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000000843100 525264925 /nfs/dbraw/zinc/26/49/25/525264925.db2.gz GQNLLRRZTXJFJW-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000020367844 525266189 /nfs/dbraw/zinc/26/61/89/525266189.db2.gz DKQSLWRRTZCZJV-UHFFFAOYSA-N 0 0 437.590 4.945 50 0 IJAARN Cc1ccc(NC(Nc2ccc(C)cc2)=C(NC(=O)c2ccccc2)C(=O)N(C)C)cc1 ZINC000041154922 525266466 /nfs/dbraw/zinc/26/64/66/525266466.db2.gz QQCCFZVNQVPQBE-UHFFFAOYSA-N 0 0 428.536 4.515 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000012765400 525275650 /nfs/dbraw/zinc/27/56/50/525275650.db2.gz ZZGQOXYKPDTZPG-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccccc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000020561330 525345711 /nfs/dbraw/zinc/34/57/11/525345711.db2.gz VOVNNRRKUBTGBM-QFIPXVFZSA-N 0 0 430.504 4.738 50 0 IJAARN COc1ccc([C@H](NC(=O)c2cc3c(s2)-c2ccccc2CC3)c2nccn2C)cc1 ZINC000012573379 525369043 /nfs/dbraw/zinc/36/90/43/525369043.db2.gz QJTIFBWHRMYYJI-QFIPXVFZSA-N 0 0 429.545 4.775 50 0 IJAARN Cc1ccc(OCCCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012795169 525404704 /nfs/dbraw/zinc/40/47/04/525404704.db2.gz FPEBFHKLGLHQEN-UHFFFAOYSA-N 0 0 441.531 4.620 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805732 525430502 /nfs/dbraw/zinc/43/05/02/525430502.db2.gz NZCAGLCYVGHGGR-RUZDIDTESA-N 0 0 444.510 4.684 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c(NC(=O)CC(C)C)c1 ZINC000035447978 525443797 /nfs/dbraw/zinc/44/37/97/525443797.db2.gz JPSDFXYXENFEGP-UHFFFAOYSA-N 0 0 425.554 4.507 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc2c1C(=O)N(c1ccccc1)C2)CC3 ZINC000012408644 525485029 /nfs/dbraw/zinc/48/50/29/525485029.db2.gz SMVAOTOSPJHRKN-UHFFFAOYSA-N 0 0 437.499 4.535 50 0 biogenic IJAARN COc1ccc2[nH]cc(CCN/C=C3\c4ccccc4C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000020664880 525490501 /nfs/dbraw/zinc/49/05/01/525490501.db2.gz DEHUDWJQDGGSLS-JJIBRWJFSA-N 0 0 437.499 4.537 50 0 IJAARN Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccco3)CN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000034716305 525499809 /nfs/dbraw/zinc/49/98/09/525499809.db2.gz OGHOWDDAFBFXQQ-UXHICEINSA-N 0 0 435.499 4.681 50 0 IJAARN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Cl)c1Cl ZINC000012380885 525504406 /nfs/dbraw/zinc/50/44/06/525504406.db2.gz CUBYDPDYQIGGSQ-QMMMGPOBSA-N 0 0 442.151 4.606 50 0 IJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1 ZINC000035684836 525508671 /nfs/dbraw/zinc/50/86/71/525508671.db2.gz PKMWBYUUJHQHNU-INIZCTEOSA-N 0 0 425.286 4.793 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2F)cc1 ZINC000016309748 525509572 /nfs/dbraw/zinc/50/95/72/525509572.db2.gz UAARNFZOLIEXAU-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccccc3C)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020986691 525513465 /nfs/dbraw/zinc/51/34/65/525513465.db2.gz HXRSBPHRAYTUKV-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3-c3ccccc3)C2)s1 ZINC000012891941 525532302 /nfs/dbraw/zinc/53/23/02/525532302.db2.gz HMIQQKLASWTPQM-LJQANCHMSA-N 0 0 440.590 4.763 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4Cl)no3)C2)cc1C ZINC000021940018 525536130 /nfs/dbraw/zinc/53/61/30/525536130.db2.gz WZBDWUVSYGLZRV-INIZCTEOSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)sc2nc(C3CC3)nc(C)c12 ZINC000012892049 525575516 /nfs/dbraw/zinc/57/55/16/525575516.db2.gz CNRJOJJENUGSDX-QGZVFWFLSA-N 0 0 434.565 4.676 50 0 IJAARN Cc1c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012935448 525605681 /nfs/dbraw/zinc/60/56/81/525605681.db2.gz XEQIKVNXSSGDTP-UHFFFAOYSA-N 0 0 438.597 4.899 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1 ZINC000035910493 525609614 /nfs/dbraw/zinc/60/96/14/525609614.db2.gz UIQWGHSTNDPSHB-HSZRJFAPSA-N 0 0 438.574 4.883 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3c(F)cccc3F)sc2c1 ZINC000021661148 525656837 /nfs/dbraw/zinc/65/68/37/525656837.db2.gz WMQIIWXHAHCFTJ-LBPRGKRZSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c1C ZINC000023430749 525675040 /nfs/dbraw/zinc/67/50/40/525675040.db2.gz GFRRQICOEWFSIM-UHFFFAOYSA-N 0 0 439.581 4.847 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccccc4Cl)cc3)cc(=O)n2o1 ZINC000041089734 525675239 /nfs/dbraw/zinc/67/52/39/525675239.db2.gz TXHFTQKDJQJGHG-UHFFFAOYSA-N 0 0 425.897 4.794 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccnc2Cl)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012391844 525681508 /nfs/dbraw/zinc/68/15/08/525681508.db2.gz DGYNOSRPRPHKDK-UHFFFAOYSA-N 0 0 449.935 4.958 50 0 IJAARN COc1ccc2oc(=O)c(-c3csc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2c1 ZINC000012390923 525684817 /nfs/dbraw/zinc/68/48/17/525684817.db2.gz MAPNKUDSTPLQCJ-UHFFFAOYSA-N 0 0 425.462 4.618 50 0 IJAARN COc1cccc(-n2cc(C(=O)NCCc3ccc(SC)cc3)c3ccccc3c2=O)c1 ZINC000020904534 525752058 /nfs/dbraw/zinc/75/20/58/525752058.db2.gz DOSJPMJVMALHMF-UHFFFAOYSA-N 0 0 444.556 4.694 50 0 biogenic IJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000035398170 525752098 /nfs/dbraw/zinc/75/20/98/525752098.db2.gz DFUWEQKCMYTWMQ-NRFANRHFSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CCc1nc(CSc2nnc(-c3ccco3)o2)no1 ZINC000021721701 525764170 /nfs/dbraw/zinc/76/41/70/525764170.db2.gz YZPXGHWSTABVFM-UHFFFAOYSA-N 0 0 445.888 4.538 50 0 IJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC3CC3)C(=O)C3CC3)n2)cc1 ZINC000036051352 525765257 /nfs/dbraw/zinc/76/52/57/525765257.db2.gz PZHJGHONGOQKNN-UHFFFAOYSA-N 0 0 442.563 4.743 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NCc3cccs3)o2)cc1 ZINC000018753998 525768809 /nfs/dbraw/zinc/76/88/09/525768809.db2.gz FJKSZICKOFAEFI-UHFFFAOYSA-N 0 0 432.501 4.852 50 0 IJAARN Cc1ccc([C@@H](NC(=O)CSc2nnnn2C2CCCCC2)c2cccs2)cc1 ZINC000012802019 525771013 /nfs/dbraw/zinc/77/10/13/525771013.db2.gz YHGUTSXQJNMULF-HXUWFJFHSA-N 0 0 427.599 4.546 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)NC45CC6CC(CC(C6)C4)C5)c(=O)c23)s1 ZINC000012589626 525787146 /nfs/dbraw/zinc/78/71/46/525787146.db2.gz SMMDVINVHMYOMM-UHFFFAOYSA-N 0 0 439.606 4.580 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCc1cccs1 ZINC000021869074 525789755 /nfs/dbraw/zinc/78/97/55/525789755.db2.gz SYCZSSWPFHAKGO-SANMLTNESA-N 0 0 447.604 4.733 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1C1CCCCCC1 ZINC000021862244 525793974 /nfs/dbraw/zinc/79/39/74/525793974.db2.gz DKWZKMOZQBBMSC-SANMLTNESA-N 0 0 436.600 4.813 50 0 IJAARN Cc1ccsc1CN(C(=O)c1nn(C)c(=O)c2ccccc21)c1ccc(F)c(Cl)c1 ZINC000009389820 525833329 /nfs/dbraw/zinc/83/33/29/525833329.db2.gz XFFZTOJHPZWMNY-UHFFFAOYSA-N 0 0 441.915 4.943 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000012383702 525855804 /nfs/dbraw/zinc/85/58/04/525855804.db2.gz ZCGFQXVEVHXCJB-KCTSRDHCSA-N 0 0 436.459 4.911 50 0 IJAARN COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000015830550 525858758 /nfs/dbraw/zinc/85/87/58/525858758.db2.gz OUTIYKVDLCIONF-LJQANCHMSA-N 0 0 439.537 4.842 50 0 IJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000012890626 525861575 /nfs/dbraw/zinc/86/15/75/525861575.db2.gz JZLNOPPWFPQIEO-UHFFFAOYSA-N 0 0 428.895 4.790 50 0 IJAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000012567931 525871590 /nfs/dbraw/zinc/87/15/90/525871590.db2.gz HWUACZRGKFJORR-HHHXNRCGSA-N 0 0 437.499 4.793 50 0 IJAARN Cc1c(OCC(=O)N2CCc3ccccc32)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002996734 525880556 /nfs/dbraw/zinc/88/05/56/525880556.db2.gz BBHXKKPKMYBTHY-UHFFFAOYSA-N 0 0 439.511 4.969 50 0 IJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4cccc(C(F)(F)F)c4)CC3)cn2)cc1 ZINC000035403693 525907924 /nfs/dbraw/zinc/90/79/24/525907924.db2.gz HMSPKUCKPWTQRH-UHFFFAOYSA-N 0 0 440.469 4.927 50 0 IJAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccccc3Cl)CN1C(=O)CN(C1CCCC1)C2=O ZINC000012867411 525916850 /nfs/dbraw/zinc/91/68/50/525916850.db2.gz RNOYJOJCIVFFEG-SIBVEZHUSA-N 0 0 447.966 4.795 50 0 biogenic IJAARN Cc1cn2c(nc(COc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2=O)s1 ZINC000041077414 525941623 /nfs/dbraw/zinc/94/16/23/525941623.db2.gz VECFDZBVWHKFHV-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cn2c(nc(COc3ccccc3NC(=O)c3cccc(Cl)c3)cc2=O)s1 ZINC000041085768 525941736 /nfs/dbraw/zinc/94/17/36/525941736.db2.gz WXKMVWRQVDSEJF-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN C[C@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021937547 525971829 /nfs/dbraw/zinc/97/18/29/525971829.db2.gz WEVNMHQDPIUHSZ-KKSFZXQISA-N 0 0 440.528 4.778 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)c2ccccc2C1=O ZINC000009311196 526011573 /nfs/dbraw/zinc/01/15/73/526011573.db2.gz WVYOPITZNFHVDY-YZZKKUAISA-N 0 0 439.515 4.650 50 0 IJAARN C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012317677 526062117 /nfs/dbraw/zinc/06/21/17/526062117.db2.gz CUGPUKAYEFZKDE-AWEZNQCLSA-N 0 0 437.496 4.806 50 0 IJAARN Cc1cc(Br)c(NC(=O)CN(C)Cc2ccsc2)c(Br)c1 ZINC000012768238 526151896 /nfs/dbraw/zinc/15/18/96/526151896.db2.gz WOVUDXJISPDUET-UHFFFAOYSA-N 0 0 432.181 4.652 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012753467 526167925 /nfs/dbraw/zinc/16/79/25/526167925.db2.gz UTHNGYLQSZSZPC-UHFFFAOYSA-N 0 0 446.370 4.506 50 0 IJAARN C[C@@H](c1nnc(SCc2nc(C(C)(C)C)no2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000012537805 526187529 /nfs/dbraw/zinc/18/75/29/526187529.db2.gz MLXLNZHGXHFFCH-HNNXBMFYSA-N 0 0 444.580 4.926 50 0 IJAARN C[C@H](c1nnc(SCc2nc(C(C)(C)C)no2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000012537804 526190294 /nfs/dbraw/zinc/19/02/94/526190294.db2.gz MLXLNZHGXHFFCH-OAHLLOKOSA-N 0 0 444.580 4.926 50 0 IJAARN COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)c1OC ZINC000022679803 526191124 /nfs/dbraw/zinc/19/11/24/526191124.db2.gz GSPQVBVOSKRNGO-NRFANRHFSA-N 0 0 437.565 4.686 50 0 IJAARN COc1cccc(NC(=O)Nc2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1 ZINC000021711682 526195874 /nfs/dbraw/zinc/19/58/74/526195874.db2.gz BHZPKHCUAKUYIE-UHFFFAOYSA-N 0 0 444.447 4.709 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000012911699 526195920 /nfs/dbraw/zinc/19/59/20/526195920.db2.gz SHYFWBQTZADAED-QGZVFWFLSA-N 0 0 445.548 4.516 50 0 IJAARN COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)c1 ZINC000012771168 526198956 /nfs/dbraw/zinc/19/89/56/526198956.db2.gz RSZABTRQCYHVSX-NSHDSACASA-N 0 0 434.315 4.627 50 0 IJAARN Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1CCC1=CCCCC1 ZINC000035269330 526202224 /nfs/dbraw/zinc/20/22/24/526202224.db2.gz PQXZKWZKXRTTKF-UHFFFAOYSA-N 0 0 432.568 4.547 50 0 IJAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000041157121 526212145 /nfs/dbraw/zinc/21/21/45/526212145.db2.gz LUBJICQREMXMMS-OAQYLSRUSA-N 0 0 437.337 4.737 50 0 IJAARN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]2CSCN21 ZINC000035374484 526213132 /nfs/dbraw/zinc/21/31/32/526213132.db2.gz BJMYFYDEORNQRJ-PSELDJGJSA-N 0 0 440.568 4.814 50 0 IJAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc4ncccc43)s2)c1 ZINC000022361919 526213250 /nfs/dbraw/zinc/21/32/50/526213250.db2.gz NIWVNRUXWUKWAJ-ZDUSSCGKSA-N 0 0 437.550 4.958 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc2)cc1 ZINC000021706312 526218935 /nfs/dbraw/zinc/21/89/35/526218935.db2.gz RVBDTOUPJMZZDQ-QFIPXVFZSA-N 0 0 447.579 4.548 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H]3CSCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000020519448 526241053 /nfs/dbraw/zinc/24/10/53/526241053.db2.gz FGIYHNXMIJHZJO-AALWMKDKSA-N 0 0 440.568 4.814 50 0 IJAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)cc(=O)n2c1 ZINC000021100482 526250456 /nfs/dbraw/zinc/25/04/56/526250456.db2.gz HGLUDMGLTAINPH-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(OCc4cccs4)cc3)CC2)c(C)o1 ZINC000069516908 526252991 /nfs/dbraw/zinc/25/29/91/526252991.db2.gz GUGWSRNAGRESBL-UHFFFAOYSA-N 0 0 439.537 4.527 50 0 IJAARN Cc1nn(CC(=O)Nc2ncc(Cl)cc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602576 526269038 /nfs/dbraw/zinc/26/90/38/526269038.db2.gz NYIBDLYSFILSJQ-UHFFFAOYSA-N 0 0 444.244 4.976 50 0 IJAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc12 ZINC000012926342 526296024 /nfs/dbraw/zinc/29/60/24/526296024.db2.gz ZKUMJZBWPXOMBV-UHFFFAOYSA-N 0 0 446.576 4.782 50 0 IJAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000016400392 526297617 /nfs/dbraw/zinc/29/76/17/526297617.db2.gz YTZXSXPUESMJRJ-OAHLLOKOSA-N 0 0 446.320 4.856 50 0 IJAARN Cc1nn2c(ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C)c1-c1ccccc1 ZINC000021914597 526313065 /nfs/dbraw/zinc/31/30/65/526313065.db2.gz QMJLIZIDKBNGCP-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020676237 526315172 /nfs/dbraw/zinc/31/51/72/526315172.db2.gz WLZZSNUSSFDBDD-SANMLTNESA-N 0 0 425.532 4.778 50 0 IJAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000022792374 526326139 /nfs/dbraw/zinc/32/61/39/526326139.db2.gz NRIQIPDADORNDG-UHFFFAOYSA-N 0 0 436.462 4.515 50 0 IJAARN O=C(NCCSc1ccccc1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000012507907 526374679 /nfs/dbraw/zinc/37/46/79/526374679.db2.gz UKSVLFFYMQIEKI-OBGWFSINSA-N 0 0 438.574 4.621 50 0 IJAARN O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035869865 526425059 /nfs/dbraw/zinc/42/50/59/526425059.db2.gz SCQJEDTYCGTEHO-AZGAKELHSA-N 0 0 445.994 4.566 50 0 IJAARN O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OCc2cscn2)cc1 ZINC000021739379 526429455 /nfs/dbraw/zinc/42/94/55/526429455.db2.gz AQUKXHAQCJYPJE-UHFFFAOYSA-N 0 0 427.869 4.783 50 0 IJAARN Cc1noc(C)c1CCNc1nc(-c2nnc(-c3cccc(C)c3)o2)nc2ccccc21 ZINC000035560848 526498848 /nfs/dbraw/zinc/49/88/48/526498848.db2.gz CMBUVQRDOPTYNO-UHFFFAOYSA-N 0 0 426.480 4.915 50 0 IJAARN O=C([C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1ccccc1)N1CCCC1 ZINC000012700665 526523536 /nfs/dbraw/zinc/52/35/36/526523536.db2.gz NJGYTYXIXXMGPV-JOCHJYFZSA-N 0 0 433.577 4.967 50 0 IJAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000012406606 526540194 /nfs/dbraw/zinc/54/01/94/526540194.db2.gz CXXYLLLDAYYEEL-NRFANRHFSA-N 0 0 441.984 4.557 50 0 IJAARN Cc1noc(C)c1NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023325657 526543200 /nfs/dbraw/zinc/54/32/00/526543200.db2.gz ZFMRJELKTMVTMP-UHFFFAOYSA-N 0 0 426.467 4.509 50 0 IJAARN Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000012390183 526558757 /nfs/dbraw/zinc/55/87/57/526558757.db2.gz ZYGZXGNAWOXEQK-UHFFFAOYSA-N 0 0 433.364 4.783 50 0 IJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907118 526581146 /nfs/dbraw/zinc/58/11/46/526581146.db2.gz NIFRPQHATNVNLG-HXUWFJFHSA-N 0 0 425.326 4.572 50 0 IJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012931247 526583967 /nfs/dbraw/zinc/58/39/67/526583967.db2.gz SYADUKDZDMSAJZ-KRWDZBQOSA-N 0 0 448.013 4.637 50 0 IJAARN O=C(c1cc(F)c(F)cc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023425501 526616563 /nfs/dbraw/zinc/61/65/63/526616563.db2.gz UVOIIQMBWRURLU-UHFFFAOYSA-N 0 0 446.419 4.930 50 0 IJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000022382612 526656452 /nfs/dbraw/zinc/65/64/52/526656452.db2.gz HDSHWXWCBNMOBR-SFHVURJKSA-N 0 0 440.446 4.687 50 0 IJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012824237 526659402 /nfs/dbraw/zinc/65/94/02/526659402.db2.gz HEFFAXZODCBDLD-UHFFFAOYSA-N 0 0 429.442 4.759 50 0 IJAARN O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000012762155 526663876 /nfs/dbraw/zinc/66/38/76/526663876.db2.gz RMNMGTAYTWSHAI-SFHVURJKSA-N 0 0 448.954 4.938 50 0 IJAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000012650203 526709690 /nfs/dbraw/zinc/70/96/90/526709690.db2.gz UNOYMXDDDYVIFP-UHFFFAOYSA-N 0 0 433.851 4.512 50 0 IJAARN O=C(CN1C(=O)c2ccccc2C1=O)N(c1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000012774506 526717496 /nfs/dbraw/zinc/71/74/96/526717496.db2.gz ZYJUFMDBGMSVMU-UHFFFAOYSA-N 0 0 447.903 4.911 50 0 IJAARN O=C(NCc1cccc(F)c1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034709518 526719587 /nfs/dbraw/zinc/71/95/87/526719587.db2.gz UXPQOQFYTBYTQJ-YADHBBJMSA-N 0 0 434.486 4.527 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000012711177 526727429 /nfs/dbraw/zinc/72/74/29/526727429.db2.gz UZKXTZWICUFXOR-RUZDIDTESA-N 0 0 428.463 4.866 50 0 IJAARN O=C(NCc1cccc2ccccc21)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015072510 526728954 /nfs/dbraw/zinc/72/89/54/526728954.db2.gz WJPPCBDSKQPIGK-UHFFFAOYSA-N 0 0 428.532 4.550 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3cccc(F)c3)no2)c1C ZINC000033296977 526734121 /nfs/dbraw/zinc/73/41/21/526734121.db2.gz DXOVFHNZEDNGNM-UHFFFAOYSA-N 0 0 430.443 4.763 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccc(OC(F)F)cc2)n1N ZINC000012477015 526741281 /nfs/dbraw/zinc/74/12/81/526741281.db2.gz XHDXUIAGBOOUES-UHFFFAOYSA-N 0 0 429.452 4.516 50 0 IJAARN O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000012307023 526741817 /nfs/dbraw/zinc/74/18/17/526741817.db2.gz URFROPYRDASJPL-JOCHJYFZSA-N 0 0 428.536 4.895 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000012517442 526749043 /nfs/dbraw/zinc/74/90/43/526749043.db2.gz HFYRUEGLSPSETD-UHFFFAOYSA-N 0 0 439.899 4.771 50 0 IJAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022040355 526767887 /nfs/dbraw/zinc/76/78/87/526767887.db2.gz BFOJRMIRBTYYSA-QPJJXVBHSA-N 0 0 438.786 4.916 50 0 IJAARN Cc1oc2nc(SCC(=O)Nc3ccccc3)nc(NC(=O)c3ccccc3)c2c1C ZINC000012741639 526791248 /nfs/dbraw/zinc/79/12/48/526791248.db2.gz WBXXNKRJZDEFBQ-UHFFFAOYSA-N 0 0 432.505 4.823 50 0 IJAARN O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020736247 526793096 /nfs/dbraw/zinc/79/30/96/526793096.db2.gz CGLZMINHSFCUDK-DEOSSOPVSA-N 0 0 425.532 4.845 50 0 IJAARN O=C(c1cccs1)N1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CCC2)C1 ZINC000012332656 526837184 /nfs/dbraw/zinc/83/71/84/526837184.db2.gz XXRHOWXZZVFYJH-XLIONFOSSA-N 0 0 443.012 4.977 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(Cc3ccccc3)o2)o1 ZINC000021262801 526845370 /nfs/dbraw/zinc/84/53/70/526845370.db2.gz DRQBYGOIRXGFER-UHFFFAOYSA-N 0 0 431.477 4.966 50 0 IJAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012791392 526887137 /nfs/dbraw/zinc/88/71/37/526887137.db2.gz DLQFRJVEWVHZKT-XMMPIXPASA-N 0 0 445.544 4.589 50 0 IJAARN Cc1sc2nc(-c3cccs3)nc(Sc3nnc(CN4CCCC4=O)o3)c2c1C ZINC000020668104 526889587 /nfs/dbraw/zinc/88/95/87/526889587.db2.gz ZPFQASRSHGEEJY-UHFFFAOYSA-N 0 0 443.579 4.693 50 0 IJAARN Cc1sc2nc(C3CC3)nc(N3CCN(C(=O)[C@@H]4C[C@H]4c4ccccc4)CC3)c2c1C ZINC000035866703 526890299 /nfs/dbraw/zinc/89/02/99/526890299.db2.gz MWOKXYRAAXYGQK-VQTJNVASSA-N 0 0 432.593 4.638 50 0 IJAARN Cc1sc2[nH]c(CNc3cccc(C(=O)NC4CC4)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012528549 526893050 /nfs/dbraw/zinc/89/30/50/526893050.db2.gz DDBIDTYEPNBOMW-UHFFFAOYSA-N 0 0 444.560 4.773 50 0 IJAARN Cc1sc2ncn(CC(=O)N(Cc3ccccc3)C(C)C)c(=O)c2c1-c1ccccc1 ZINC000012786624 526897824 /nfs/dbraw/zinc/89/78/24/526897824.db2.gz YAHLAXIKLGVWMP-UHFFFAOYSA-N 0 0 431.561 4.871 50 0 IJAARN NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000012442832 526900864 /nfs/dbraw/zinc/90/08/64/526900864.db2.gz YKSPJCDTEGRODA-UHFFFAOYSA-N 0 0 427.595 4.542 50 0 IJAARN NC(=O)NC(=O)[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1 ZINC000012554932 526927259 /nfs/dbraw/zinc/92/72/59/526927259.db2.gz QKWDYNAUANOZGP-LJQANCHMSA-N 0 0 440.297 4.590 50 0 IJAARN NC(=O)NC(=O)[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1 ZINC000012554931 526927293 /nfs/dbraw/zinc/92/72/93/526927293.db2.gz QKWDYNAUANOZGP-IBGZPJMESA-N 0 0 440.297 4.590 50 0 IJAARN O=C(N[C@H](C(=O)NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1)c1cccs1 ZINC000012810137 526989375 /nfs/dbraw/zinc/98/93/75/526989375.db2.gz TWTGEFGOVBBLMB-QFIPXVFZSA-N 0 0 434.492 4.935 50 0 IJAARN Cc1nc(NC(=O)c2ccccc2OC[C@H]2CCCO2)sc1-c1nccn1C(F)F ZINC000012573744 526993269 /nfs/dbraw/zinc/99/32/69/526993269.db2.gz SYMLPNWLCSVPHA-CYBMUJFWSA-N 0 0 434.468 4.520 50 0 IJAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)ccc2N1 ZINC000012561195 526998965 /nfs/dbraw/zinc/99/89/65/526998965.db2.gz VJHPSNOECDVWER-UHFFFAOYSA-N 0 0 449.557 4.573 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc(N(C)C)n1 ZINC000021794078 527002961 /nfs/dbraw/zinc/00/29/61/527002961.db2.gz PIUSDXCFFOKNTG-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S ZINC000012924931 527017782 /nfs/dbraw/zinc/01/77/82/527017782.db2.gz AZYVHDWDVSLPLL-UHFFFAOYSA-N 0 0 426.973 4.824 50 0 IJAARN O=C1C[C@@H](c2cc(Br)ccc2F)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725717 527022798 /nfs/dbraw/zinc/02/27/98/527022798.db2.gz HSFZIFFEPFJTOT-NSHDSACASA-N 0 0 443.301 4.858 50 0 IJAARN O=C(CSCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NC1CCCCCC1 ZINC000032987115 527030862 /nfs/dbraw/zinc/03/08/62/527030862.db2.gz BWVRCAWVNZGSHW-UHFFFAOYSA-N 0 0 439.006 4.516 50 0 IJAARN O=C1N(Cc2cc(F)cc(F)c2)c2ccccc2S(=O)(=O)N1c1cc(F)ccc1F ZINC000021657897 527037464 /nfs/dbraw/zinc/03/74/64/527037464.db2.gz RLWICZWNGJYNNG-UHFFFAOYSA-N 0 0 436.386 4.579 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398457 527040227 /nfs/dbraw/zinc/04/02/27/527040227.db2.gz BXLHSGQLRNOHMB-DEOSSOPVSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000012696042 527053621 /nfs/dbraw/zinc/05/36/21/527053621.db2.gz UDUZFJKJEHTWCU-KRWDZBQOSA-N 0 0 434.546 4.792 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000012554053 527079171 /nfs/dbraw/zinc/07/91/71/527079171.db2.gz JMQRUCSXGHPCAT-UHFFFAOYSA-N 0 0 427.533 4.549 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(Br)cc1 ZINC000002620852 527089157 /nfs/dbraw/zinc/08/91/57/527089157.db2.gz IWYPPOXHLHVOQS-UHFFFAOYSA-N 0 0 432.130 4.529 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1coc(-c2ccccc2)n1 ZINC000012629792 527097472 /nfs/dbraw/zinc/09/74/72/527097472.db2.gz CGMYWSQZVIOPJK-HSZRJFAPSA-N 0 0 426.472 4.946 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCCC[C@H]4c4cccnc4)no3)ccc2s1 ZINC000012306782 527130699 /nfs/dbraw/zinc/13/06/99/527130699.db2.gz BXTMOGAENWEIAZ-NRFANRHFSA-N 0 0 434.521 4.934 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(CN2CCCC2=O)c1 ZINC000012777160 527154341 /nfs/dbraw/zinc/15/43/41/527154341.db2.gz HUMKKZSQCOBWRX-UHFFFAOYSA-N 0 0 441.247 4.843 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885218 527180802 /nfs/dbraw/zinc/18/08/02/527180802.db2.gz AYXAICINWVLBCH-MRXNPFEDSA-N 0 0 436.899 4.649 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012792648 527184120 /nfs/dbraw/zinc/18/41/20/527184120.db2.gz AMMBQCPOFBYOQB-PDGQHHTCSA-N 0 0 426.263 4.877 50 0 IJAARN O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767582 527190042 /nfs/dbraw/zinc/19/00/42/527190042.db2.gz POVOBQGWUSOGLM-QFIPXVFZSA-N 0 0 447.025 4.621 50 0 IJAARN O=C(Nc1ccc(F)cc1F)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000021531177 527210607 /nfs/dbraw/zinc/21/06/07/527210607.db2.gz AETBGUXGZXXCPV-UHFFFAOYSA-N 0 0 426.448 4.756 50 0 IJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000012881248 527235046 /nfs/dbraw/zinc/23/50/46/527235046.db2.gz JZCDOIMORIFKKY-QGZVFWFLSA-N 0 0 426.332 4.718 50 0 IJAARN O=S(=O)(Nc1cccc([C@@H]2OC[C@@H](COc3ccc(Cl)cc3)O2)c1)c1ccccc1 ZINC000012376841 527253362 /nfs/dbraw/zinc/25/33/62/527253362.db2.gz UQDDVJZSYBZOPD-IFMALSPDSA-N 0 0 445.924 4.634 50 0 IJAARN O=S(=O)(c1ccc(NCc2nc(-c3ccccc3Cl)no2)cc1)N1CCCCCC1 ZINC000012597949 527277062 /nfs/dbraw/zinc/27/70/62/527277062.db2.gz AMPUZTBSVKPCJC-UHFFFAOYSA-N 0 0 446.960 4.567 50 0 IJAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCc2ccccc21 ZINC000020533711 527277538 /nfs/dbraw/zinc/27/75/38/527277538.db2.gz FMNGOMKXXANROA-UHFFFAOYSA-N 0 0 443.981 4.900 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000012849426 527290856 /nfs/dbraw/zinc/29/08/56/527290856.db2.gz OTVGQJUOYZEYPF-BDJLRTHQSA-N 0 0 436.415 4.586 50 0 IJAARN O=C(Cc1cccs1)N(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000035839476 527300657 /nfs/dbraw/zinc/30/06/57/527300657.db2.gz IKWBYRIUGOPNLC-KRWDZBQOSA-N 0 0 426.488 4.791 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000035513332 527322935 /nfs/dbraw/zinc/32/29/35/527322935.db2.gz VAAYYUOIMHNGDQ-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015418694 527331529 /nfs/dbraw/zinc/33/15/29/527331529.db2.gz UZBPTTYCOPBRHL-UHFFFAOYSA-N 0 0 446.878 4.786 50 0 IJAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccc2c(c1)OCCO2 ZINC000012912187 527332319 /nfs/dbraw/zinc/33/23/19/527332319.db2.gz IRIUKILTPVEZRS-UHFFFAOYSA-N 0 0 448.466 4.502 50 0 IJAARN O=C(Cn1c(SCc2cccc(F)c2)nc2cccnc21)N1CCCc2ccccc21 ZINC000020532378 527357592 /nfs/dbraw/zinc/35/75/92/527357592.db2.gz HZFHCNXOODINPC-UHFFFAOYSA-N 0 0 432.524 4.842 50 0 IJAARN Cn1cccc1-c1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2F)[nH]n1 ZINC000012317551 527382969 /nfs/dbraw/zinc/38/29/69/527382969.db2.gz DVJLOUZOFMYLQK-RUZDIDTESA-N 0 0 439.494 4.824 50 0 IJAARN Cn1cccc1[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)N1CCc2ccccc2C1 ZINC000021151796 527402321 /nfs/dbraw/zinc/40/23/21/527402321.db2.gz YKZBPQTVEJVGLN-AREMUKBSSA-N 0 0 445.607 4.617 50 0 IJAARN O=C(Nc1ccccc1Br)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980253 527407456 /nfs/dbraw/zinc/40/74/56/527407456.db2.gz IJJLOPLRXWVHOW-UHFFFAOYSA-N 0 0 425.261 4.817 50 0 IJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021786207 527410524 /nfs/dbraw/zinc/41/05/24/527410524.db2.gz YPXHTJPGAIFRDN-UHFFFAOYSA-N 0 0 426.428 4.596 50 0 IJAARN O=C(Cn1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCCO4)Nc1ccccc1 ZINC000020996390 527414076 /nfs/dbraw/zinc/41/40/76/527414076.db2.gz IAHYRGGGDSHIPL-UHFFFAOYSA-N 0 0 436.471 4.661 50 0 IJAARN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000001129873 527425512 /nfs/dbraw/zinc/42/55/12/527425512.db2.gz NXWDZWPMMQYATH-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000001132698 527426256 /nfs/dbraw/zinc/42/62/56/527426256.db2.gz PCYGOEZCUPFDLG-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000020603418 527436348 /nfs/dbraw/zinc/43/63/48/527436348.db2.gz TVIAOLKBPIBJIC-GFCCVEGCSA-N 0 0 441.862 4.972 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000012907886 527455313 /nfs/dbraw/zinc/45/53/13/527455313.db2.gz VJENJSNVANWEBV-OAHLLOKOSA-N 0 0 447.343 4.872 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c(Cl)c1 ZINC000012753986 527510721 /nfs/dbraw/zinc/51/07/21/527510721.db2.gz YZJBZAQTPGINDY-IBGZPJMESA-N 0 0 430.976 4.572 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000020892889 527528366 /nfs/dbraw/zinc/52/83/66/527528366.db2.gz ZEPRIIUZGULIAO-SFHVURJKSA-N 0 0 432.318 4.857 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000012542096 527528939 /nfs/dbraw/zinc/52/89/39/527528939.db2.gz UJIJVMAEOQMMRF-JTSKRJEESA-N 0 0 440.906 4.719 50 0 IJAARN OCCOc1cccc(CN2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)c1 ZINC000012167734 527559126 /nfs/dbraw/zinc/55/91/26/527559126.db2.gz LDIPXPPKODWTDJ-UHFFFAOYSA-N 0 0 427.544 4.939 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)cc12 ZINC000012650170 527565721 /nfs/dbraw/zinc/56/57/21/527565721.db2.gz LMWLKXYAEOMIPZ-ZIAGYGMSSA-N 0 0 445.972 4.995 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020891303 527571320 /nfs/dbraw/zinc/57/13/20/527571320.db2.gz UMACXZNLEFVRKU-GOSISDBHSA-N 0 0 428.489 4.843 50 0 IJAARN FC(F)(F)c1ccc(N2CCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)nc1 ZINC000020443632 527682748 /nfs/dbraw/zinc/68/27/48/527682748.db2.gz OLARZEVXLAECKR-UHFFFAOYSA-N 0 0 426.364 4.994 50 0 IJAARN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000002214405 536305731 /nfs/dbraw/zinc/30/57/31/536305731.db2.gz NKVNMCGLOGQPLL-KQWNVCNZSA-N 0 0 435.483 4.698 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000009221405 536483769 /nfs/dbraw/zinc/48/37/69/536483769.db2.gz UVSQYBDJHZGKLZ-CCEZHUSRSA-N 0 0 445.607 4.587 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4OC)CC3)n2)c1 ZINC000004734327 537063950 /nfs/dbraw/zinc/06/39/50/537063950.db2.gz OVNHCUILNKRGKM-UHFFFAOYSA-N 0 0 444.457 4.506 50 0 IJAARN CC(C)c1ccccc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000000628005 555513436 /nfs/dbraw/zinc/51/34/36/555513436.db2.gz VZZGQWJPPTYKDJ-UHFFFAOYSA-N 0 0 448.894 4.887 50 0 IJAARN COc1ccccc1N[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000000627966 555513483 /nfs/dbraw/zinc/51/34/83/555513483.db2.gz YDHAFGSOJKKKIM-NRFANRHFSA-N 0 0 439.309 4.509 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000637260 555517167 /nfs/dbraw/zinc/51/71/67/555517167.db2.gz VNKYTBMWAQMRQG-UHFFFAOYSA-N 0 0 431.492 4.769 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000000641174 555518448 /nfs/dbraw/zinc/51/84/48/555518448.db2.gz XIDCGANKGSTUQS-GOSISDBHSA-N 0 0 436.364 4.824 50 0 IJAARN COc1ccc(-n2c(=O)c3c(n(-c4ccc(OC)cc4)c2=S)OC(C)(C)C=C3C)cc1 ZINC000000646867 555521289 /nfs/dbraw/zinc/52/12/89/555521289.db2.gz GJDQGBOUKVYXGX-UHFFFAOYSA-N 0 0 436.533 4.949 50 0 IJAARN CCOc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000653099 555523799 /nfs/dbraw/zinc/52/37/99/555523799.db2.gz BYSBQQHYPXBZPJ-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000000659159 555526022 /nfs/dbraw/zinc/52/60/22/555526022.db2.gz CPKYQFBAOTXYCM-UHFFFAOYSA-N 0 0 431.677 4.741 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000665571 555528327 /nfs/dbraw/zinc/52/83/27/555528327.db2.gz ZRICBAITOFOJSC-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000000670535 555530701 /nfs/dbraw/zinc/53/07/01/555530701.db2.gz GANZQIODGXGZBW-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN COC(=O)c1c(NC(=O)COc2ccc(C)cc2Br)sc2c1CCCC2 ZINC000000673705 555532165 /nfs/dbraw/zinc/53/21/65/555532165.db2.gz FFAMERWEHBHALE-UHFFFAOYSA-N 0 0 438.343 4.502 50 0 IJAARN O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Br)o1 ZINC000000676395 555534637 /nfs/dbraw/zinc/53/46/37/555534637.db2.gz ZGAUJPFDZMADDG-UHFFFAOYSA-N 0 0 438.528 4.585 50 0 IJAARN COc1ccc(Cl)c2c3nnc(SCC(=O)Nc4ccc(C)cc4C)nc3[nH]c21 ZINC000000676584 555534922 /nfs/dbraw/zinc/53/49/22/555534922.db2.gz XBYIHYIEYAVSIX-UHFFFAOYSA-N 0 0 427.917 4.516 50 0 IJAARN CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000684532 555539266 /nfs/dbraw/zinc/53/92/66/555539266.db2.gz FJLBMICFSHAOOD-UHFFFAOYSA-N 0 0 446.219 4.697 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c1 ZINC000000687616 555540996 /nfs/dbraw/zinc/54/09/96/555540996.db2.gz WVWHZUSDGUALLD-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN O=C(CSc1nnc(COc2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 ZINC000000702815 555543636 /nfs/dbraw/zinc/54/36/36/555543636.db2.gz PRNGTENCMFKAGA-UHFFFAOYSA-N 0 0 445.500 4.550 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000000703962 555544282 /nfs/dbraw/zinc/54/42/82/555544282.db2.gz YDYBJFLAHDLDJJ-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN O=C(CCC(=O)Nc1ccccc1Br)Nc1ccccc1Br ZINC000000710855 555547094 /nfs/dbraw/zinc/54/70/94/555547094.db2.gz LBTYXFSDVGZBMU-UHFFFAOYSA-N 0 0 426.108 4.569 50 0 IJAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3n2)cc1Cl ZINC000000723274 555550851 /nfs/dbraw/zinc/55/08/51/555550851.db2.gz KAUVSNYCZYIEGJ-UHFFFAOYSA-N 0 0 439.903 4.648 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc(Cl)c1 ZINC000000724991 555551370 /nfs/dbraw/zinc/55/13/70/555551370.db2.gz IENFHLBUPRURAB-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000000789862 555556700 /nfs/dbraw/zinc/55/67/00/555556700.db2.gz XVHLXKHSOVXCPM-UHFFFAOYSA-N 0 0 447.944 4.633 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)c2)cc1 ZINC000000827185 555565463 /nfs/dbraw/zinc/56/54/63/555565463.db2.gz OFVZVCOOEXHNFQ-ROUUACIJSA-N 0 0 432.520 4.686 50 0 IJAARN CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000000856474 555571482 /nfs/dbraw/zinc/57/14/82/555571482.db2.gz FOUTVZAWZOKEPP-MXXWWZHRSA-N 0 0 442.902 4.695 50 0 IJAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCC1 ZINC000000866999 555574358 /nfs/dbraw/zinc/57/43/58/555574358.db2.gz GQJCCKXYLLGXOA-KBPBESRZSA-N 0 0 430.833 4.962 50 0 IJAARN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCC[C@H]3C)cc2c1 ZINC000000893389 555580018 /nfs/dbraw/zinc/58/00/18/555580018.db2.gz PJQPCTCWZSQUFP-HXOBKFHXSA-N 0 0 434.588 4.546 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 ZINC000000897144 555580344 /nfs/dbraw/zinc/58/03/44/555580344.db2.gz DSGWYBZWYKKMQQ-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1C ZINC000000915443 555583133 /nfs/dbraw/zinc/58/31/33/555583133.db2.gz GATPLZCGJPIMHP-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(I)cc2C)cc(C)c1Cl ZINC000000940164 555586859 /nfs/dbraw/zinc/58/68/59/555586859.db2.gz LHARGDIHIIOFMG-UHFFFAOYSA-N 0 0 429.685 4.887 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000000950246 555588771 /nfs/dbraw/zinc/58/87/71/555588771.db2.gz NWQXWAVZFAELMU-UHFFFAOYSA-N 0 0 449.576 4.568 50 0 IJAARN C[C@@H](Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)OCc1ccccc1Cl ZINC000000952301 555589364 /nfs/dbraw/zinc/58/93/64/555589364.db2.gz NHHQMPRZYKASGT-OAHLLOKOSA-N 0 0 435.863 4.651 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000009585430 555591514 /nfs/dbraw/zinc/59/15/14/555591514.db2.gz ALUWCDOSDNFJEM-UHFFFAOYSA-N 0 0 430.327 4.712 50 0 IJAARN O=C(CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000973322 555591854 /nfs/dbraw/zinc/59/18/54/555591854.db2.gz BRBZNNOVJYXMOL-OAHLLOKOSA-N 0 0 443.739 4.651 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 ZINC000000986060 555594737 /nfs/dbraw/zinc/59/47/37/555594737.db2.gz KKOZURZYSBTTFE-VWNXMTODSA-N 0 0 439.540 4.824 50 0 biogenic IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000000986191 555594871 /nfs/dbraw/zinc/59/48/71/555594871.db2.gz VUOJFICHAXPZCU-UHFFFAOYSA-N 0 0 447.585 4.975 50 0 IJAARN O=C(OCc1ccccc1)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000000991328 555596507 /nfs/dbraw/zinc/59/65/07/555596507.db2.gz OUNYNYFZBVWGTD-UHFFFAOYSA-N 0 0 436.261 4.607 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(C)cc2)cc1 ZINC000000991676 555596529 /nfs/dbraw/zinc/59/65/29/555596529.db2.gz VETPJQUFJYETMC-UHFFFAOYSA-N 0 0 426.472 4.896 50 0 IJAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000992912 555597161 /nfs/dbraw/zinc/59/71/61/555597161.db2.gz XPHNSRNMFSOKTI-UHFFFAOYSA-N 0 0 426.424 4.804 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2C(N)=O)C1 ZINC000000995636 555598341 /nfs/dbraw/zinc/59/83/41/555598341.db2.gz YPRUJQAKQPGJSV-WCLQSUPFSA-N 0 0 440.565 4.769 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1Br ZINC000001000816 555600165 /nfs/dbraw/zinc/60/01/65/555600165.db2.gz UCYBUUJDYOKQPX-UHFFFAOYSA-N 0 0 427.751 4.936 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000001003302 555600520 /nfs/dbraw/zinc/60/05/20/555600520.db2.gz OHHKDVUMQBIXGM-UHFFFAOYSA-N 0 0 433.357 4.861 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NS(C)(=O)=O ZINC000001032591 555606485 /nfs/dbraw/zinc/60/64/85/555606485.db2.gz RWCOXIIMJWHODA-UHFFFAOYSA-N 0 0 425.510 4.590 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2-c2ccco2)cc1 ZINC000001058006 555615095 /nfs/dbraw/zinc/61/50/95/555615095.db2.gz UFZNXUCEMZAETH-UHFFFAOYSA-N 0 0 442.447 4.545 50 0 IJAARN O=C(COc1ccccc1)Nc1cccc2cccc(NC(=O)COc3ccccc3)c21 ZINC000001058971 555615427 /nfs/dbraw/zinc/61/54/27/555615427.db2.gz DASBOJHHACLDSL-UHFFFAOYSA-N 0 0 426.472 4.875 50 0 IJAARN O=C1N(Cc2ccccc2Br)c2ccccc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001066090 555618376 /nfs/dbraw/zinc/61/83/76/555618376.db2.gz KERUXLVAUPYOGR-QHCPKHFHSA-N 0 0 433.305 4.713 50 0 IJAARN CCOC(=O)C1=CN(C2CCCC2)C=C(C(=O)OCC)C1c1ccc(OC)c(Cl)c1 ZINC000001066608 555618702 /nfs/dbraw/zinc/61/87/02/555618702.db2.gz GSBVRUYJTCCQLS-UHFFFAOYSA-N 0 0 433.932 4.584 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000001068725 555619977 /nfs/dbraw/zinc/61/99/77/555619977.db2.gz RVTSFUILHLNXRR-UHFFFAOYSA-N 0 0 439.968 4.545 50 0 IJAARN CCc1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000001073167 555622166 /nfs/dbraw/zinc/62/21/66/555622166.db2.gz UEXWXVDPXCIPNP-UHFFFAOYSA-N 0 0 435.760 4.614 50 0 IJAARN CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001075676 555623893 /nfs/dbraw/zinc/62/38/93/555623893.db2.gz ACDXAYHFDHJDFH-UHFFFAOYSA-N 0 0 436.455 4.508 50 0 IJAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001096575 555628009 /nfs/dbraw/zinc/62/80/09/555628009.db2.gz NIBAGCCDVVVRCI-JOCHJYFZSA-N 0 0 447.491 4.894 50 0 IJAARN O=C(CSCc1c(F)cccc1Cl)Nc1ccc(I)cc1 ZINC000001111108 555631728 /nfs/dbraw/zinc/63/17/28/555631728.db2.gz QRCQUTVHBUWVFD-UHFFFAOYSA-N 0 0 435.689 4.956 50 0 IJAARN COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000001112515 555632390 /nfs/dbraw/zinc/63/23/90/555632390.db2.gz YFCPIVXEQGRTLH-UHFFFAOYSA-N 0 0 442.562 4.779 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000001113525 555633025 /nfs/dbraw/zinc/63/30/25/555633025.db2.gz VYRVKNUCESIQHY-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001115839 555634251 /nfs/dbraw/zinc/63/42/51/555634251.db2.gz HTKQSOGLYDRYSB-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3nc4ccc(OCC)cc4s3)nc2c1 ZINC000001127473 555641983 /nfs/dbraw/zinc/64/19/83/555641983.db2.gz DDVFUYSTRBSGJE-UHFFFAOYSA-N 0 0 428.539 4.701 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C)cc2)cc1 ZINC000001128237 555642492 /nfs/dbraw/zinc/64/24/92/555642492.db2.gz YZBUOFMLRWBJCR-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000001144635 555652329 /nfs/dbraw/zinc/65/23/29/555652329.db2.gz KWZYMYMYOKKCIH-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CC[C@@H](Sc1nnc(COc2ccccc2C)n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000001144369 555652410 /nfs/dbraw/zinc/65/24/10/555652410.db2.gz BQLFJSQLVMTNNQ-GOSISDBHSA-N 0 0 430.961 4.865 50 0 IJAARN Cc1ccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)cn3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000001147129 555654076 /nfs/dbraw/zinc/65/40/76/555654076.db2.gz UQMIASHBIRGSJW-UHFFFAOYSA-N 0 0 435.911 4.602 50 0 IJAARN COc1ccc(O[C@@H]2C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001148002 555654677 /nfs/dbraw/zinc/65/46/77/555654677.db2.gz PEIZQMVJGVIQOG-RPBOFIJWSA-N 0 0 433.504 4.865 50 0 IJAARN COc1ccc(O[C@@H]2C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001147999 555654724 /nfs/dbraw/zinc/65/47/24/555654724.db2.gz PEIZQMVJGVIQOG-DQEYMECFSA-N 0 0 433.504 4.865 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000001154449 555658048 /nfs/dbraw/zinc/65/80/48/555658048.db2.gz NYUUEQBYLYOVTD-UHFFFAOYSA-N 0 0 433.744 4.684 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(Cl)cc3)n2)cc1OC ZINC000001156543 555659244 /nfs/dbraw/zinc/65/92/44/555659244.db2.gz VDXOMPZJJSKSNQ-UHFFFAOYSA-N 0 0 433.942 4.608 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1Cl ZINC000001156896 555659304 /nfs/dbraw/zinc/65/93/04/555659304.db2.gz BKBDIKVGJYAYJR-UHFFFAOYSA-N 0 0 447.969 4.998 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(Br)c3)n2)cc1 ZINC000001157489 555659889 /nfs/dbraw/zinc/65/98/89/555659889.db2.gz YLOOYFKNOLHYJD-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000001159713 555661185 /nfs/dbraw/zinc/66/11/85/555661185.db2.gz SWQANVMFPNJFJP-LJQANCHMSA-N 0 0 443.572 4.609 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001160839 555661795 /nfs/dbraw/zinc/66/17/95/555661795.db2.gz JMFLAWPARMBINN-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1ccccc1 ZINC000001161969 555662378 /nfs/dbraw/zinc/66/23/78/555662378.db2.gz WYFMUXKZVCVEPC-UHFFFAOYSA-N 0 0 434.340 4.528 50 0 IJAARN Cc1ccc2nsnc2c1NC(=O)c1cc(I)ccc1Cl ZINC000001168163 555665329 /nfs/dbraw/zinc/66/53/29/555665329.db2.gz HILJAXRLUFLHQW-UHFFFAOYSA-N 0 0 429.670 4.510 50 0 IJAARN CN(c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001172480 555667615 /nfs/dbraw/zinc/66/76/15/555667615.db2.gz UTEUDAFFAMBYEF-UHFFFAOYSA-N 0 0 449.359 4.749 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2cc(C)cc(C)c2)cc1 ZINC000001173151 555668106 /nfs/dbraw/zinc/66/81/06/555668106.db2.gz XTPFNRAKMSASJI-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(C)c4)cc3n2)cc1 ZINC000001179956 555671161 /nfs/dbraw/zinc/67/11/61/555671161.db2.gz UZYGHMFLELVKHG-UHFFFAOYSA-N 0 0 445.548 4.563 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 ZINC000001180898 555671649 /nfs/dbraw/zinc/67/16/49/555671649.db2.gz LVTPRBLREJBGGZ-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN Cc1ccc(Cc2cnc(NC(=O)c3ccccc3I)s2)cc1 ZINC000001180875 555671688 /nfs/dbraw/zinc/67/16/88/555671688.db2.gz LBTAYBAKALCSRY-UHFFFAOYSA-N 0 0 434.302 4.899 50 0 IJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1ccc(I)cc1 ZINC000001181090 555671913 /nfs/dbraw/zinc/67/19/13/555671913.db2.gz YLELZUNYDDUPJL-UHFFFAOYSA-N 0 0 439.256 4.858 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001189023 555675223 /nfs/dbraw/zinc/67/52/23/555675223.db2.gz DXOSUQIRPGDIFU-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000001207093 555680829 /nfs/dbraw/zinc/68/08/29/555680829.db2.gz KCINSQMHTMHCKW-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN COc1cc(NC(=O)COc2ccc(Cl)cc2Br)c(OC)cc1Cl ZINC000001211714 555682478 /nfs/dbraw/zinc/68/24/78/555682478.db2.gz XTZADPMQXPRJKM-UHFFFAOYSA-N 0 0 435.101 4.791 50 0 IJAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccco1 ZINC000001213488 555683098 /nfs/dbraw/zinc/68/30/98/555683098.db2.gz NLJKOVOWXRJBRH-UHFFFAOYSA-N 0 0 442.294 4.977 50 0 IJAARN CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccccc2)cc(NC(=O)Cc2ccccc2)c1 ZINC000001216930 555684275 /nfs/dbraw/zinc/68/42/75/555684275.db2.gz JMJBZYHZNOGDIS-UHFFFAOYSA-N 0 0 443.547 4.577 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000001217059 555684305 /nfs/dbraw/zinc/68/43/05/555684305.db2.gz RKACYQRHAGLORW-KBPBESRZSA-N 0 0 428.458 4.917 50 0 IJAARN COc1ccc(C(=O)N[C@@H](Sc2nc3ccccc3[nH]2)C(Cl)(Cl)Cl)cc1 ZINC000001252234 555687835 /nfs/dbraw/zinc/68/78/35/555687835.db2.gz GBDBGEGAJNTCNH-HNNXBMFYSA-N 0 0 430.744 4.790 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000001413698 555694742 /nfs/dbraw/zinc/69/47/42/555694742.db2.gz SMGQPVORWPUSAZ-VWLOTQADSA-N 0 0 448.544 4.730 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc(C)cc1 ZINC000001439749 555697096 /nfs/dbraw/zinc/69/70/96/555697096.db2.gz ZHPJYMFIGMKJGR-UHFFFAOYSA-N 0 0 428.554 4.856 50 0 IJAARN COc1ccccc1C(=O)Nc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 ZINC000001510056 555702549 /nfs/dbraw/zinc/70/25/49/555702549.db2.gz DWTNMGSDUMMEFZ-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN Cc1cccc(-c2noc(CN3CCC4(C[C@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889688 555726598 /nfs/dbraw/zinc/72/65/98/555726598.db2.gz VJYUHELNCGWPTB-FQEVSTJZSA-N 0 0 427.508 4.865 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1 ZINC000001977971 555727061 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IJAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccc(Cl)cc4)CC3)n2)cc1C ZINC000034678168 555796733 /nfs/dbraw/zinc/79/67/33/555796733.db2.gz XYIYCHFACSFNIZ-UHFFFAOYSA-N 0 0 438.959 4.515 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2ccc4c(c2)OCO4)n1-c1ccccc1)CCC3 ZINC000002679207 555798065 /nfs/dbraw/zinc/79/80/65/555798065.db2.gz HUCAQPDFQPVQSL-UHFFFAOYSA-N 0 0 434.542 4.957 50 0 IJAARN CC[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(=O)OC)C1 ZINC000002737589 555806855 /nfs/dbraw/zinc/80/68/55/555806855.db2.gz DOCXSTXYLKHZHZ-ZETCQYMHSA-N 0 0 433.398 4.997 50 0 IJAARN CC(C)Cn1c(=O)c2c(ncn2[C@@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693804 555808251 /nfs/dbraw/zinc/80/82/51/555808251.db2.gz FEANEBHWNUIVEI-IBGZPJMESA-N 0 0 430.552 4.738 50 0 IJAARN Cc1ccccc1C(=O)N1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cn2)CC1 ZINC000034680705 555813817 /nfs/dbraw/zinc/81/38/17/555813817.db2.gz ZHLMGKKWXUOYPA-UHFFFAOYSA-N 0 0 448.954 4.648 50 0 IJAARN O=C(NCCc1ccccc1)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034709435 555823504 /nfs/dbraw/zinc/82/35/04/555823504.db2.gz WIYWDYPUMGQACU-RBBKRZOGSA-N 0 0 444.497 4.754 50 0 IJAARN COc1ccc(C(=O)N2C[C@@H](C(=O)N(C)Cc3ccccc3)C[C@@H](c3ccccc3)C2)cc1 ZINC000034709581 555823787 /nfs/dbraw/zinc/82/37/87/555823787.db2.gz RWYBFTBFBVJJOE-RPBOFIJWSA-N 0 0 442.559 4.600 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712081 555825542 /nfs/dbraw/zinc/82/55/42/555825542.db2.gz WOWGZSTXVMIQQP-LJQANCHMSA-N 0 0 430.476 4.576 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(SCC(=O)Nc3cccc(C)c3)s2)c1 ZINC000002805574 555826449 /nfs/dbraw/zinc/82/64/49/555826449.db2.gz LGZUVWLTRPAGJO-UHFFFAOYSA-N 0 0 444.607 4.617 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 ZINC000002810686 555827250 /nfs/dbraw/zinc/82/72/50/555827250.db2.gz XCVNJJIQSKZHAW-UHFFFAOYSA-N 0 0 441.468 4.552 50 0 IJAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(SC)c3)n2C)cc1 ZINC000002840915 555835570 /nfs/dbraw/zinc/83/55/70/555835570.db2.gz AVUCGTXMSLAPIH-HNNXBMFYSA-N 0 0 442.610 4.970 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)cc1 ZINC000002857730 555842694 /nfs/dbraw/zinc/84/26/94/555842694.db2.gz HGFREVUVPSABKU-ROUUACIJSA-N 0 0 432.520 4.686 50 0 IJAARN CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000002859458 555843536 /nfs/dbraw/zinc/84/35/36/555843536.db2.gz OEPVUUSVYXPUGZ-ZBFHGGJFSA-N 0 0 428.558 4.507 50 0 IJAARN CCCOc1c(I)cc(C(=O)Nc2ccccc2F)cc1OCC ZINC000002865939 555847447 /nfs/dbraw/zinc/84/74/47/555847447.db2.gz UMTSGMDOJNIKME-UHFFFAOYSA-N 0 0 443.256 4.870 50 0 IJAARN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1 ZINC000002871231 555849736 /nfs/dbraw/zinc/84/97/36/555849736.db2.gz LXZSTQOBPBAGNC-UHFFFAOYSA-N 0 0 444.597 4.781 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002873726 555851060 /nfs/dbraw/zinc/85/10/60/555851060.db2.gz VMLAWIAOMPQFFC-YJBOKZPZSA-N 0 0 430.386 4.524 50 0 IJAARN COc1ccccc1OCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 ZINC000002884119 555856871 /nfs/dbraw/zinc/85/68/71/555856871.db2.gz OCKPUFGMEVIWHU-UHFFFAOYSA-N 0 0 431.517 4.830 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)c(C)c1 ZINC000002884681 555857537 /nfs/dbraw/zinc/85/75/37/555857537.db2.gz HSJGBIOZLGBIAS-UHFFFAOYSA-N 0 0 442.968 4.996 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2C)c(C)c1 ZINC000002891138 555859901 /nfs/dbraw/zinc/85/99/01/555859901.db2.gz VVGCSTKABBBXOG-UHFFFAOYSA-N 0 0 434.627 4.674 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 ZINC000010544976 555863440 /nfs/dbraw/zinc/86/34/40/555863440.db2.gz ZBIOQQWUCWMNEN-MRXNPFEDSA-N 0 0 440.341 4.695 50 0 IJAARN Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034714961 555864782 /nfs/dbraw/zinc/86/47/82/555864782.db2.gz KZSCJJVKLLJIJH-RPWUZVMVSA-N 0 0 430.523 4.696 50 0 IJAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1Cl)c1ccco1 ZINC000002954701 555866646 /nfs/dbraw/zinc/86/66/46/555866646.db2.gz YXIFQWIFFKUENO-UHFFFAOYSA-N 0 0 434.304 4.966 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2cc(C)ccc2C)cc1 ZINC000002961448 555867928 /nfs/dbraw/zinc/86/79/28/555867928.db2.gz RZXITPWBCLLAQR-OAQYLSRUSA-N 0 0 436.577 4.685 50 0 IJAARN CC(C)c1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000002982238 555872462 /nfs/dbraw/zinc/87/24/62/555872462.db2.gz UXISSXGKPXSOPH-UHFFFAOYSA-N 0 0 426.513 4.783 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2cccc(Cl)c2)cc1 ZINC000002986806 555874357 /nfs/dbraw/zinc/87/43/57/555874357.db2.gz CMIAMNPGQRFQPT-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)cc1Cl ZINC000002993327 555875712 /nfs/dbraw/zinc/87/57/12/555875712.db2.gz HJMSYAJNTXLKLW-UHFFFAOYSA-N 0 0 441.336 4.694 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000003012287 555879297 /nfs/dbraw/zinc/87/92/97/555879297.db2.gz NACIKNXBWVJMMQ-HNAYVOBHSA-N 0 0 444.413 4.833 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O ZINC000034734830 555880601 /nfs/dbraw/zinc/88/06/01/555880601.db2.gz MHZILJGNCBOQAX-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003130852 555890562 /nfs/dbraw/zinc/89/05/62/555890562.db2.gz RZEMEMIAHXQSJQ-CQSZACIVSA-N 0 0 437.179 4.753 50 0 IJAARN COc1ccccc1Oc1nc(N2CCC(C)CC2)nc2c1CN(Cc1ccco1)CC2 ZINC000034755617 555900800 /nfs/dbraw/zinc/90/08/00/555900800.db2.gz RJZHMJKCYNQTTA-UHFFFAOYSA-N 0 0 434.540 4.665 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)CC(C)(C)C)CC3)CC1 ZINC000034757975 555902948 /nfs/dbraw/zinc/90/29/48/555902948.db2.gz NSZGHWPLCPCXJN-UHFFFAOYSA-N 0 0 440.563 4.965 50 0 IJAARN CCCc1nc2onc(-c3ccccc3)c2c(N2CCCN(C(=O)C3CCCCC3)CC2)n1 ZINC000034810335 555908465 /nfs/dbraw/zinc/90/84/65/555908465.db2.gz COVIQTYGNKGNDS-UHFFFAOYSA-N 0 0 447.583 4.856 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000034813028 555909753 /nfs/dbraw/zinc/90/97/53/555909753.db2.gz NQMSXVMASDGINQ-UHFFFAOYSA-N 0 0 441.531 4.575 50 0 IJAARN O=C(NCCOc1ccccc1)c1cn2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000034831028 555912242 /nfs/dbraw/zinc/91/22/42/555912242.db2.gz RXNGOJIXWWDNMI-UHFFFAOYSA-N 0 0 425.410 4.829 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)cc1C ZINC000034847475 555915327 /nfs/dbraw/zinc/91/53/27/555915327.db2.gz WMBRJOZBZRKLMT-IWIPYMOSSA-N 0 0 427.504 4.508 50 0 IJAARN CCCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000034905292 555919443 /nfs/dbraw/zinc/91/94/43/555919443.db2.gz KAAQVIUPELZXJC-VQTJNVASSA-N 0 0 443.613 4.768 50 0 IJAARN CCCn1c2ccccc2nc1N1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000034907118 555920640 /nfs/dbraw/zinc/92/06/40/555920640.db2.gz MSSZEJLSRXUSGX-UHFFFAOYSA-N 0 0 441.373 4.608 50 0 IJAARN O=C(c1nc(Cc2ccccc2)n(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000034911047 555923331 /nfs/dbraw/zinc/92/33/31/555923331.db2.gz MRCSTKQVEOBERW-UHFFFAOYSA-N 0 0 436.559 4.953 50 0 IJAARN O=C(NC1CCCCC1)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920590 555931503 /nfs/dbraw/zinc/93/15/03/555931503.db2.gz NFVDETQHDSRWNX-LJQANCHMSA-N 0 0 438.490 4.656 50 0 IJAARN CN(Cc1ccco1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1 ZINC000034921976 555932369 /nfs/dbraw/zinc/93/23/69/555932369.db2.gz UKSAXTDNRJJKQZ-UHFFFAOYSA-N 0 0 446.438 4.620 50 0 IJAARN Cc1cccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924166 555932913 /nfs/dbraw/zinc/93/29/13/555932913.db2.gz FQXIWDGDVLUVPH-DQEYMECFSA-N 0 0 428.507 4.894 50 0 IJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 ZINC000034924459 555933281 /nfs/dbraw/zinc/93/32/81/555933281.db2.gz LOZMSAUNKNOJRK-UHFFFAOYSA-N 0 0 438.446 4.557 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(F)cc2)cc1 ZINC000034924456 555933292 /nfs/dbraw/zinc/93/32/92/555933292.db2.gz NNGUHXREUKIPMS-UHFFFAOYSA-N 0 0 426.557 4.836 50 0 IJAARN CCOc1cccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1 ZINC000003640731 555942977 /nfs/dbraw/zinc/94/29/77/555942977.db2.gz WNRKJXBLFSLPNS-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc(-n2cccc2)c1 ZINC000004122635 555965761 /nfs/dbraw/zinc/96/57/61/555965761.db2.gz RDAXCWIHBIGDGQ-NDEPHWFRSA-N 0 0 436.511 4.527 50 0 IJAARN COC(=O)C1=CN(C23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000004143587 555967893 /nfs/dbraw/zinc/96/78/93/555967893.db2.gz RILYDWCNFMISQH-UHFFFAOYSA-N 0 0 441.955 4.822 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccc(F)c(C)c4)c(=O)c23)cc1 ZINC000010552436 555976005 /nfs/dbraw/zinc/97/60/05/555976005.db2.gz QRVDIAUXOXRISS-UHFFFAOYSA-N 0 0 435.524 4.587 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000004671408 556005941 /nfs/dbraw/zinc/00/59/41/556005941.db2.gz GYTNKASOSQDWHR-CNBHCMJISA-N 0 0 426.022 4.852 50 0 IJAARN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)NC1CCCCC1 ZINC000004682005 556005960 /nfs/dbraw/zinc/00/59/60/556005960.db2.gz ZJKVMYCVFWBXMB-UHFFFAOYSA-N 0 0 430.618 4.850 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2Cl)c(Br)c(=O)n1-c1ccccc1 ZINC000002549920 556104737 /nfs/dbraw/zinc/10/47/37/556104737.db2.gz HZPHIJFHFSPOJQ-UHFFFAOYSA-N 0 0 428.113 4.824 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)Nc3cc(C)c(C)cc3Br)n[nH]2)cc1 ZINC000006857871 556106518 /nfs/dbraw/zinc/10/65/18/556106518.db2.gz JZOYPDWQRDGIOT-UHFFFAOYSA-N 0 0 431.359 4.890 50 0 IJAARN O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010585002 556115076 /nfs/dbraw/zinc/11/50/76/556115076.db2.gz FZZFGWDVCDDSMO-QFIPXVFZSA-N 0 0 433.939 4.857 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc32)cc1 ZINC000002692666 556120533 /nfs/dbraw/zinc/12/05/33/556120533.db2.gz UBMFDOQNAZZTQD-UHFFFAOYSA-N 0 0 437.904 4.961 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccccc1OC ZINC000002692196 556120608 /nfs/dbraw/zinc/12/06/08/556120608.db2.gz XULLAYVDPQZROS-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccc(Cl)cc2)cc1S(=O)(=O)c1ccccc1 ZINC000002691111 556122072 /nfs/dbraw/zinc/12/20/72/556122072.db2.gz AQXAPSBGHACVAK-UHFFFAOYSA-N 0 0 427.884 4.675 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCCC3)cc1 ZINC000002712965 556122296 /nfs/dbraw/zinc/12/22/96/556122296.db2.gz UICCRBWAWYGHRK-UHFFFAOYSA-N 0 0 433.552 4.714 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704093 556123260 /nfs/dbraw/zinc/12/32/60/556123260.db2.gz IQLISJVTHBTEPX-QHCPKHFHSA-N 0 0 443.430 4.715 50 0 IJAARN CCOC(=O)[C@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1 ZINC000002720943 556127451 /nfs/dbraw/zinc/12/74/51/556127451.db2.gz WCPOBVBFCQPZKH-LBPRGKRZSA-N 0 0 427.913 4.564 50 0 IJAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000002722244 556127905 /nfs/dbraw/zinc/12/79/05/556127905.db2.gz PTMRRMKJGMPFPH-UHFFFAOYSA-N 0 0 436.508 4.550 50 0 IJAARN O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)Nc1ccccc1 ZINC000002722289 556128250 /nfs/dbraw/zinc/12/82/50/556128250.db2.gz FFFCHIBVMAGWMC-UHFFFAOYSA-N 0 0 438.936 4.755 50 0 IJAARN CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(F)cc32)cc1 ZINC000002715789 556130140 /nfs/dbraw/zinc/13/01/40/556130140.db2.gz ARIWAYZGFDBQJI-UHFFFAOYSA-N 0 0 435.476 4.836 50 0 IJAARN Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1 ZINC000002716457 556131025 /nfs/dbraw/zinc/13/10/25/556131025.db2.gz QOVCQOZTLPSMQY-UHFFFAOYSA-N 0 0 434.923 4.864 50 0 IJAARN O=C(NCCc1cccc(Cl)c1)c1cccc(C(=O)NCCc2cccc(Cl)c2)c1 ZINC000002748507 556136615 /nfs/dbraw/zinc/13/66/15/556136615.db2.gz AECJOVFHRSFGCR-UHFFFAOYSA-N 0 0 441.358 4.938 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1cccc(C(F)(F)F)c1 ZINC000002751169 556136956 /nfs/dbraw/zinc/13/69/56/556136956.db2.gz RKYSHHIHWXMJIH-UHFFFAOYSA-N 0 0 428.410 4.928 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000002774945 556140484 /nfs/dbraw/zinc/14/04/84/556140484.db2.gz AVWFVAYGEOFWIY-UHFFFAOYSA-N 0 0 431.238 4.707 50 0 IJAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002780270 556141631 /nfs/dbraw/zinc/14/16/31/556141631.db2.gz OHWAMGKVJCWFID-UHFFFAOYSA-N 0 0 445.319 4.543 50 0 IJAARN COc1cc(Cl)c(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OC ZINC000010592675 556150440 /nfs/dbraw/zinc/15/04/40/556150440.db2.gz XGFZARMFANDJDZ-UHFFFAOYSA-N 0 0 442.899 4.538 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1F ZINC000003023391 556157313 /nfs/dbraw/zinc/15/73/13/556157313.db2.gz GWXWZLBRLMEMBQ-YJYMSZOUSA-N 0 0 438.952 4.897 50 0 IJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1 ZINC000003024807 556157703 /nfs/dbraw/zinc/15/77/03/556157703.db2.gz GRIWXNGWYVJUOX-UHFFFAOYSA-N 0 0 426.513 4.680 50 0 IJAARN Cc1ccc(SCCOc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000008395884 556163076 /nfs/dbraw/zinc/16/30/76/556163076.db2.gz RXXIXRBIHHGTKZ-KQWNVCNZSA-N 0 0 444.581 4.936 50 0 IJAARN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(C=C(c3ccccc3)OC2=O)[C@@H]1c1ccccc1 ZINC000008430771 556170515 /nfs/dbraw/zinc/17/05/15/556170515.db2.gz JSEIHGWIRWYXJK-KCWPFWIISA-N 0 0 438.483 4.546 50 0 IJAARN CCCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1NC(=O)c1ccccc1OCC ZINC000008432205 556171436 /nfs/dbraw/zinc/17/14/36/556171436.db2.gz LBBKYQJCESTVRY-XMMPIXPASA-N 0 0 445.519 4.786 50 0 IJAARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000008439187 556175247 /nfs/dbraw/zinc/17/52/47/556175247.db2.gz GOQYFGPLSWYKHI-HYARGMPZSA-N 0 0 432.501 4.906 50 0 IJAARN CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(Br)c2)cc1 ZINC000008443228 556177985 /nfs/dbraw/zinc/17/79/85/556177985.db2.gz PEYJIFUNIMYWND-SFHVURJKSA-N 0 0 441.247 4.621 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 ZINC000008591969 556189319 /nfs/dbraw/zinc/18/93/19/556189319.db2.gz FYLZIPILFJRCFY-JOCHJYFZSA-N 0 0 431.492 4.517 50 0 IJAARN COc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000008594268 556189613 /nfs/dbraw/zinc/18/96/13/556189613.db2.gz WKXOPQGHAXBUEW-GOSISDBHSA-N 0 0 449.503 4.619 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1CCC1=CCCCC1)Nc1ccc(F)cc1 ZINC000008599641 556191029 /nfs/dbraw/zinc/19/10/29/556191029.db2.gz UYGBEHJXMUMSLI-JOCHJYFZSA-N 0 0 435.499 4.882 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2cc(OC)cc(OC)c2)c1C ZINC000008604469 556191286 /nfs/dbraw/zinc/19/12/86/556191286.db2.gz AFOZPVJVTRQURU-UHFFFAOYSA-N 0 0 436.508 4.605 50 0 IJAARN O=c1/c(=C\c2ccc(F)cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008637000 556195046 /nfs/dbraw/zinc/19/50/46/556195046.db2.gz POAXYJYOLQMNQN-XOYGFPHKSA-N 0 0 444.556 4.519 50 0 IJAARN CCOC(=O)c1sc(/[S@@](C)=N/S(=O)(=O)c2cccc(Cl)c2)c2c1CCC=C2 ZINC000008648423 556195969 /nfs/dbraw/zinc/19/59/69/556195969.db2.gz UGBROXCTWIPBHZ-SANMLTNESA-N 0 0 443.999 4.717 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008716668 556202372 /nfs/dbraw/zinc/20/23/72/556202372.db2.gz XHYGQADZTOROSN-ASSNKEHSSA-N 0 0 448.375 4.958 50 0 IJAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(Br)cc3)s2)cc1 ZINC000008738105 556205109 /nfs/dbraw/zinc/20/51/09/556205109.db2.gz YHWKMKALUYVBMP-UHFFFAOYSA-N 0 0 449.330 4.922 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)NCCc1ccccc1)CO[C@@H](C(C)C)C2 ZINC000008817526 556218038 /nfs/dbraw/zinc/21/80/38/556218038.db2.gz IDSHCXZAECMYSX-QGZVFWFLSA-N 0 0 432.611 4.551 50 0 aggregator IJAARN CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000008875093 556230303 /nfs/dbraw/zinc/23/03/03/556230303.db2.gz JMGQFMHDMLMDMT-UHFFFAOYSA-N 0 0 434.275 4.566 50 0 IJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1cccs1 ZINC000008914268 556232168 /nfs/dbraw/zinc/23/21/68/556232168.db2.gz SULMLRBYXGQSKE-UHFFFAOYSA-N 0 0 447.607 4.689 50 0 aggregator IJAARN O=S1(=O)C[C@@H]2N=C(SCc3cccc4ccccc43)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000009060791 556244293 /nfs/dbraw/zinc/24/42/93/556244293.db2.gz IUUISDBAXDFPHJ-LEWJYISDSA-N 0 0 442.993 4.768 50 0 IJAARN COc1ccccc1Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000009095481 556246542 /nfs/dbraw/zinc/24/65/42/556246542.db2.gz XKFKBCCODZVZIM-UHFFFAOYSA-N 0 0 444.516 4.642 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189594 556252658 /nfs/dbraw/zinc/25/26/58/556252658.db2.gz OYFGAVBVIGJWRD-GOSISDBHSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 ZINC000009191970 556254138 /nfs/dbraw/zinc/25/41/38/556254138.db2.gz PKXAFAMRMDCWFJ-XMMPIXPASA-N 0 0 444.487 4.621 50 0 IJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 ZINC000009196957 556254741 /nfs/dbraw/zinc/25/47/41/556254741.db2.gz MMCBSUWDVDCBLT-GFCCVEGCSA-N 0 0 444.944 4.757 50 0 IJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000009198247 556256464 /nfs/dbraw/zinc/25/64/64/556256464.db2.gz VSTNNFAYOQBUHX-INIZCTEOSA-N 0 0 440.956 4.510 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1C ZINC000009225730 556259730 /nfs/dbraw/zinc/25/97/30/556259730.db2.gz MSWREFMIQVOEEQ-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2c1 ZINC000009228307 556261039 /nfs/dbraw/zinc/26/10/39/556261039.db2.gz OIMBEEGFCHAIHU-UHFFFAOYSA-N 0 0 447.922 4.914 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccn2)N1c1nc2ccc(F)cc2s1 ZINC000009234852 556263160 /nfs/dbraw/zinc/26/31/60/556263160.db2.gz AFVQANWGHAAOOB-LJQANCHMSA-N 0 0 429.432 4.687 50 0 IJAARN CSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000009235573 556263485 /nfs/dbraw/zinc/26/34/85/556263485.db2.gz UMCLZUOYJCIUFS-UHFFFAOYSA-N 0 0 433.558 4.838 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009239560 556265807 /nfs/dbraw/zinc/26/58/07/556265807.db2.gz SAOWBFHCLXGKMQ-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009239592 556266041 /nfs/dbraw/zinc/26/60/41/556266041.db2.gz DTMMJUMCBYNLAO-VXKWHMMOSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009239590 556266061 /nfs/dbraw/zinc/26/60/61/556266061.db2.gz DTMMJUMCBYNLAO-FCHUYYIVSA-N 0 0 435.597 4.808 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4Cl)n3C)oc21 ZINC000009260652 556268422 /nfs/dbraw/zinc/26/84/22/556268422.db2.gz TZAJOAGVUOHDSZ-UHFFFAOYSA-N 0 0 428.901 4.621 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)c(Cl)c1 ZINC000009261414 556269204 /nfs/dbraw/zinc/26/92/04/556269204.db2.gz YDMFLEBUNNJASQ-UHFFFAOYSA-N 0 0 438.734 4.807 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009294988 556274608 /nfs/dbraw/zinc/27/46/08/556274608.db2.gz WNVKRQDMYHCVTB-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009295103 556274912 /nfs/dbraw/zinc/27/49/12/556274912.db2.gz SSEWMMNPNQGRPC-PMACEKPBSA-N 0 0 441.988 4.844 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009295110 556274920 /nfs/dbraw/zinc/27/49/20/556274920.db2.gz PFUZHFMVSQFOJD-UXHICEINSA-N 0 0 441.988 4.844 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccccc4F)c(C)c13)CCC(C)(C)O2 ZINC000013684112 556275138 /nfs/dbraw/zinc/27/51/38/556275138.db2.gz DDWATETVOCOVCA-UHFFFAOYSA-N 0 0 425.456 4.534 50 0 IJAARN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)ccc1OCc1cccc2ccccc21 ZINC000009295969 556275193 /nfs/dbraw/zinc/27/51/93/556275193.db2.gz TWNJQOJNYVDDRL-STZFKDTASA-N 0 0 432.545 4.895 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000009296384 556275495 /nfs/dbraw/zinc/27/54/95/556275495.db2.gz JMPZBUSNUOGLQQ-ROUUACIJSA-N 0 0 436.581 4.825 50 0 IJAARN COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc21 ZINC000013687710 556277430 /nfs/dbraw/zinc/27/74/30/556277430.db2.gz SYMPMVRZNKEHJJ-OAHLLOKOSA-N 0 0 435.259 4.638 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000009309545 556278828 /nfs/dbraw/zinc/27/88/28/556278828.db2.gz HNUSTDIZPHRUCG-UHFFFAOYSA-N 0 0 444.516 4.702 50 0 IJAARN Cc1sc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)nc1-c1ccc(C)cc1 ZINC000009329503 556282656 /nfs/dbraw/zinc/28/26/56/556282656.db2.gz BAWQJSIFMPSIGJ-FQEVSTJZSA-N 0 0 433.533 4.686 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000009435827 556291772 /nfs/dbraw/zinc/29/17/72/556291772.db2.gz RHFRBUNEFCHCGM-VQTJNVASSA-N 0 0 444.432 4.881 50 0 IJAARN O=c1n2nc(Cc3ccccc3)nc2c2c3c(sc2n1Cc1ccccc1)CCCC3 ZINC000013729008 556294384 /nfs/dbraw/zinc/29/43/84/556294384.db2.gz WGLMSJXFVUGJOP-UHFFFAOYSA-N 0 0 426.545 4.624 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccco2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000013728863 556294504 /nfs/dbraw/zinc/29/45/04/556294504.db2.gz SXFMWDQROJFTEJ-RUZDIDTESA-N 0 0 438.487 4.948 50 0 IJAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OCCc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000009559780 556298243 /nfs/dbraw/zinc/29/82/43/556298243.db2.gz WSPNAICHWIFJEH-LJQANCHMSA-N 0 0 433.504 4.653 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000013770349 556304942 /nfs/dbraw/zinc/30/49/42/556304942.db2.gz JXJRNLZSYILYNO-DJJJIMSYSA-N 0 0 430.287 4.824 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)cc1 ZINC000009829943 556310062 /nfs/dbraw/zinc/31/00/62/556310062.db2.gz LUNLODBYOCDDLB-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000009972723 556319822 /nfs/dbraw/zinc/31/98/22/556319822.db2.gz CHBSFJVFMYDDOV-UPVQGACJSA-N 0 0 445.588 4.952 50 0 IJAARN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1Br ZINC000013880372 556325652 /nfs/dbraw/zinc/32/56/52/556325652.db2.gz UIFCTLSIVMHQIY-UHFFFAOYSA-N 0 0 444.329 4.624 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000013896712 556329571 /nfs/dbraw/zinc/32/95/71/556329571.db2.gz YSEZDJGTHSDZND-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1Cl ZINC000013896208 556329621 /nfs/dbraw/zinc/32/96/21/556329621.db2.gz FHYNFOZLOKXIRP-UHFFFAOYSA-N 0 0 427.795 4.676 50 0 IJAARN CCCCc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(CCCC)C3)cc2)cc1 ZINC000010461808 556335251 /nfs/dbraw/zinc/33/52/51/556335251.db2.gz IHHRRHWBNDDWPR-NRFANRHFSA-N 0 0 435.568 4.869 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)CSCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000032772755 556335501 /nfs/dbraw/zinc/33/55/01/556335501.db2.gz IVXJNFJVBRIAHF-FQEVSTJZSA-N 0 0 442.997 4.822 50 0 IJAARN Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1C ZINC000013944298 556341298 /nfs/dbraw/zinc/34/12/98/556341298.db2.gz XEQWIDNRCXHPKW-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2ccnc2C)cc1 ZINC000011663269 556344303 /nfs/dbraw/zinc/34/43/03/556344303.db2.gz BJESYJVFMIGYKG-SANMLTNESA-N 0 0 428.536 4.636 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000011662746 556344360 /nfs/dbraw/zinc/34/43/60/556344360.db2.gz GTWFKEQBUOLDEG-LJQANCHMSA-N 0 0 443.503 4.927 50 0 IJAARN C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000032779244 556344553 /nfs/dbraw/zinc/34/45/53/556344553.db2.gz BXUISYQFGHOYHR-CQSZACIVSA-N 0 0 437.429 4.679 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011664714 556345128 /nfs/dbraw/zinc/34/51/28/556345128.db2.gz YVTZPXILXWURPB-NRFANRHFSA-N 0 0 433.552 4.644 50 0 IJAARN Cn1cc(-c2cc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)c3ccccc3n2)cn1 ZINC000013960107 556347369 /nfs/dbraw/zinc/34/73/69/556347369.db2.gz NOBSKFWKSLGMRR-UHFFFAOYSA-N 0 0 442.910 4.786 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 ZINC000013961100 556348716 /nfs/dbraw/zinc/34/87/16/556348716.db2.gz MCTVEMLVUDJPQH-UHFFFAOYSA-N 0 0 426.476 4.630 50 0 IJAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc3ccccc3cn2)C1 ZINC000011771953 556350586 /nfs/dbraw/zinc/35/05/86/556350586.db2.gz CBRSMAQGKDYFJC-RUZDIDTESA-N 0 0 438.474 4.541 50 0 IJAARN Cc1ccc2nc(CSCC(=O)Nc3c(Cl)cccc3C(F)(F)F)cc(=O)n2c1 ZINC000032794106 556355090 /nfs/dbraw/zinc/35/50/90/556355090.db2.gz HKOJXPYYZRTIOK-UHFFFAOYSA-N 0 0 441.862 4.547 50 0 IJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000014021016 556356701 /nfs/dbraw/zinc/35/67/01/556356701.db2.gz JDTUYOHEZLISHW-IBGZPJMESA-N 0 0 449.982 4.944 50 0 IJAARN Cc1cc(C)n(CCCN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)n1 ZINC000011821498 556362902 /nfs/dbraw/zinc/36/29/02/556362902.db2.gz LOZCSURYZFURNA-HSZRJFAPSA-N 0 0 433.556 4.571 50 0 IJAARN O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc(Cl)s1 ZINC000014112918 556370232 /nfs/dbraw/zinc/37/02/32/556370232.db2.gz LUXREOZPABDOQW-UHFFFAOYSA-N 0 0 433.002 4.612 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc3cccnc32)cc1 ZINC000014116733 556370927 /nfs/dbraw/zinc/37/09/27/556370927.db2.gz LGXYJKGYNIMZHJ-UHFFFAOYSA-N 0 0 427.460 4.513 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014122009 556372303 /nfs/dbraw/zinc/37/23/03/556372303.db2.gz RVLQTQXXDJDNAA-UGKGYDQZSA-N 0 0 431.561 4.967 50 0 IJAARN c1c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)noc1-c1ccccc1 ZINC000014126173 556373450 /nfs/dbraw/zinc/37/34/50/556373450.db2.gz LEPFMFAWMVMJGV-UHFFFAOYSA-N 0 0 431.565 4.870 50 0 IJAARN O=c1nc(CSc2nnnn2C2CCCC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000014129091 556374128 /nfs/dbraw/zinc/37/41/28/556374128.db2.gz UPYVZBOVNIHTQJ-UHFFFAOYSA-N 0 0 444.973 4.699 50 0 IJAARN Cn1c(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)nnc1SCc1ccc(F)cc1 ZINC000011909135 556374323 /nfs/dbraw/zinc/37/43/23/556374323.db2.gz BZDWKRCAPOAHJQ-UHFFFAOYSA-N 0 0 444.963 4.638 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000014135634 556375066 /nfs/dbraw/zinc/37/50/66/556375066.db2.gz NBJPZLGSJWWZLI-UHFFFAOYSA-N 0 0 446.588 4.913 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000014138316 556375848 /nfs/dbraw/zinc/37/58/48/556375848.db2.gz UYCRFCKFAHPENX-FCHUYYIVSA-N 0 0 434.923 4.841 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 ZINC000014162066 556378585 /nfs/dbraw/zinc/37/85/85/556378585.db2.gz KHEHJLRYZXGXRU-UHFFFAOYSA-N 0 0 427.913 4.623 50 0 IJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2ccccc2C(C)=O)CC1 ZINC000011952151 556380336 /nfs/dbraw/zinc/38/03/36/556380336.db2.gz HSUHIVFBGSJLPS-UHFFFAOYSA-N 0 0 427.928 4.571 50 0 IJAARN O=C(Cc1ccc2ccccc2c1)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000011971657 556382599 /nfs/dbraw/zinc/38/25/99/556382599.db2.gz RAVMLDHBGPRKAM-JOCHJYFZSA-N 0 0 429.907 4.613 50 0 IJAARN CCCCOC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014183593 556383469 /nfs/dbraw/zinc/38/34/69/556383469.db2.gz XTZQZPWTQSAKQG-UHFFFAOYSA-N 0 0 443.927 4.755 50 0 IJAARN Cc1cc(C)n2nc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc(F)cc3)cc2n1 ZINC000011997914 556384548 /nfs/dbraw/zinc/38/45/48/556384548.db2.gz HDRSNUUOCPDEAR-RUZDIDTESA-N 0 0 439.494 4.754 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 ZINC000014185912 556385757 /nfs/dbraw/zinc/38/57/57/556385757.db2.gz MWGSTIOLVAWTKK-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1 ZINC000012031169 556388955 /nfs/dbraw/zinc/38/89/55/556388955.db2.gz ITOPTOBYTMXCEV-HSZRJFAPSA-N 0 0 430.552 4.936 50 0 IJAARN CC[C@H](c1nnc(SCc2nc(-c3ccsc3)no2)n1Cc1ccccc1)N(C)C ZINC000014200564 556391088 /nfs/dbraw/zinc/39/10/88/556391088.db2.gz GXAYIBGVJYRBRP-QGZVFWFLSA-N 0 0 440.598 4.743 50 0 IJAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2ccc(COC)s2)C1 ZINC000012052318 556392754 /nfs/dbraw/zinc/39/27/54/556392754.db2.gz MLKLFHXVGGRAKX-DEOSSOPVSA-N 0 0 429.582 4.703 50 0 IJAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809452 556393983 /nfs/dbraw/zinc/39/39/83/556393983.db2.gz CSIHXCGXBZHRPV-UHFFFAOYSA-N 0 0 448.519 4.619 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2c(cc(C)cc2C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000012062449 556395465 /nfs/dbraw/zinc/39/54/65/556395465.db2.gz UMOJUIPDAIKPDK-QGZVFWFLSA-N 0 0 431.579 4.557 50 0 IJAARN Cc1noc(C)c1CC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012079506 556398369 /nfs/dbraw/zinc/39/83/69/556398369.db2.gz SDUQZRPYNIGYRI-MRXNPFEDSA-N 0 0 430.426 4.640 50 0 IJAARN COc1ccc(-c2nn(CN3C[C@@H](C)O[C@H](C)C3)c(=S)n2C2CCCCC2)cc1OC ZINC000014242255 556402610 /nfs/dbraw/zinc/40/26/10/556402610.db2.gz KHTRIMRYJIGPBW-IAGOWNOFSA-N 0 0 446.617 4.670 50 0 IJAARN Cc1nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(=S)n1C1CC1 ZINC000014242042 556402692 /nfs/dbraw/zinc/40/26/92/556402692.db2.gz DJDCVZGQXWCSQP-UHFFFAOYSA-N 0 0 430.581 5.000 50 0 IJAARN COc1ccc2c(CC(=O)Nc3ccccc3C(=O)Nc3cccc(OC)c3)coc2c1 ZINC000014242529 556403207 /nfs/dbraw/zinc/40/32/07/556403207.db2.gz CWDKKCALYCAZNV-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1ccc(Br)o1 ZINC000004342536 556405006 /nfs/dbraw/zinc/40/50/06/556405006.db2.gz SQQPOPLUGJPQJQ-UHFFFAOYSA-N 0 0 431.208 4.703 50 0 IJAARN COc1ccccc1OCCC(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000014245423 556405226 /nfs/dbraw/zinc/40/52/26/556405226.db2.gz YIEBWRKRQMEZDJ-RUZDIDTESA-N 0 0 438.451 4.954 50 0 IJAARN COC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000032578627 556405255 /nfs/dbraw/zinc/40/52/55/556405255.db2.gz WXVOCFPEMMJFQA-UHFFFAOYSA-N 0 0 443.459 4.516 50 0 IJAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000014249488 556408388 /nfs/dbraw/zinc/40/83/88/556408388.db2.gz TVTZFXKRVJPDFD-UHFFFAOYSA-N 0 0 427.448 4.707 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 ZINC000032622968 556410214 /nfs/dbraw/zinc/41/02/14/556410214.db2.gz MUOXPRLQTFUDTG-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2CC)cc1 ZINC000032624420 556411462 /nfs/dbraw/zinc/41/14/62/556411462.db2.gz OTVKEVSMTZANTJ-FCQUAONHSA-N 0 0 429.611 4.808 50 0 IJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Br)c2)c(-n2cnnc2)c1 ZINC000032646839 556412771 /nfs/dbraw/zinc/41/27/71/556412771.db2.gz KPQLKHNLGUTFDT-AWEZNQCLSA-N 0 0 429.318 4.561 50 0 IJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(-n2cnnc2)c1 ZINC000032646831 556412863 /nfs/dbraw/zinc/41/28/63/556412863.db2.gz BRNIMOVMBJLUOY-AWEZNQCLSA-N 0 0 429.318 4.561 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1C ZINC000032832896 556417609 /nfs/dbraw/zinc/41/76/09/556417609.db2.gz IGTZJFJEWUNNFK-UHFFFAOYSA-N 0 0 442.544 4.758 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012975984 556421562 /nfs/dbraw/zinc/42/15/62/556421562.db2.gz FYBJPOAABXEUNE-MRXNPFEDSA-N 0 0 441.549 4.781 50 0 IJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012977651 556422500 /nfs/dbraw/zinc/42/25/00/556422500.db2.gz ZSQYBVWWUYOITH-ZDUSSCGKSA-N 0 0 426.485 4.883 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000014574426 556427140 /nfs/dbraw/zinc/42/71/40/556427140.db2.gz CCKUETDKKWLDSL-UHFFFAOYSA-N 0 0 436.393 4.769 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1F ZINC000032842316 556427791 /nfs/dbraw/zinc/42/77/91/556427791.db2.gz VXFJHLSSEDZSJL-JOCHJYFZSA-N 0 0 449.507 4.578 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)c1oc2c(cccc2Cl)c1C ZINC000032842538 556427932 /nfs/dbraw/zinc/42/79/32/556427932.db2.gz FCVNBJVPCQERMK-UHFFFAOYSA-N 0 0 434.901 4.553 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(C2SCCS2)cc1 ZINC000032844896 556428947 /nfs/dbraw/zinc/42/89/47/556428947.db2.gz VSMKMPJSUCJWQK-UHFFFAOYSA-N 0 0 428.000 4.696 50 0 IJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccnn1Cc1ccccc1Cl ZINC000014671349 556431440 /nfs/dbraw/zinc/43/14/40/556431440.db2.gz WLEWDFJZCRGASF-UHFFFAOYSA-N 0 0 442.306 4.860 50 0 IJAARN O=C(NCc1ccccc1Cn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032855871 556433290 /nfs/dbraw/zinc/43/32/90/556433290.db2.gz YBYNANXCIMYOOC-UHFFFAOYSA-N 0 0 433.515 4.714 50 0 IJAARN Cc1ccc(SCCNC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013008426 556435277 /nfs/dbraw/zinc/43/52/77/556435277.db2.gz YGDYVILKKGMZSK-UHFFFAOYSA-N 0 0 433.573 4.969 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)Cn3c(=O)cnc4ccccc43)nc21 ZINC000014711408 556435504 /nfs/dbraw/zinc/43/55/04/556435504.db2.gz DBVGABPQCOVELB-UHFFFAOYSA-N 0 0 440.528 4.548 50 0 IJAARN C[C@@H]1c2cccc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)c2O[C@H]1C ZINC000013010694 556435680 /nfs/dbraw/zinc/43/56/80/556435680.db2.gz SYWUQTHPHPWHKI-ROUUACIJSA-N 0 0 439.515 4.650 50 0 IJAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1CSc1nc2ccccc2o1 ZINC000013016406 556438022 /nfs/dbraw/zinc/43/80/22/556438022.db2.gz BGJYYEQCXABCDN-KRWDZBQOSA-N 0 0 432.501 4.690 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013018011 556439097 /nfs/dbraw/zinc/43/90/97/556439097.db2.gz OBYNPZXURUHNGS-ALOPSCKCSA-N 0 0 435.611 4.570 50 0 IJAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1OC ZINC000013027917 556441326 /nfs/dbraw/zinc/44/13/26/556441326.db2.gz KVIHIHHINGFWAF-UHFFFAOYSA-N 0 0 427.504 4.829 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1coc2c1ccc(C)c2C ZINC000013029731 556441842 /nfs/dbraw/zinc/44/18/42/556441842.db2.gz DVHMUTSVHQZGNA-UHFFFAOYSA-N 0 0 432.442 4.887 50 0 IJAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2sccc2C)no1 ZINC000013037783 556443218 /nfs/dbraw/zinc/44/32/18/556443218.db2.gz OMHWKHSGZOIDFI-UHFFFAOYSA-N 0 0 425.539 4.537 50 0 IJAARN Cc1cc(SCC(=O)NCc2ccccc2Cn2ccnc2)c(C)cc1Br ZINC000032860077 556446549 /nfs/dbraw/zinc/44/65/49/556446549.db2.gz LOJCNUQIIPYMFX-UHFFFAOYSA-N 0 0 444.398 4.719 50 0 IJAARN CCCc1nc2ccccc2c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1CC ZINC000013041738 556447850 /nfs/dbraw/zinc/44/78/50/556447850.db2.gz KDUFOPGWEYUSLW-UHFFFAOYSA-N 0 0 428.536 4.800 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2OC)cc1 ZINC000013042493 556448526 /nfs/dbraw/zinc/44/85/26/556448526.db2.gz NWXCCIQSRFLZDL-KRWDZBQOSA-N 0 0 433.508 4.704 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000032868679 556449242 /nfs/dbraw/zinc/44/92/42/556449242.db2.gz DPXXNEWKODZGRB-OAHLLOKOSA-N 0 0 444.516 4.746 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CN(C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058579 556449823 /nfs/dbraw/zinc/44/98/23/556449823.db2.gz WZFYRPXHLOBJMA-UHFFFAOYSA-N 0 0 431.536 4.902 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)n1Cc1ccco1 ZINC000013059279 556450105 /nfs/dbraw/zinc/45/01/05/556450105.db2.gz WIVQVHFZWICXFZ-CQSZACIVSA-N 0 0 435.549 4.525 50 0 IJAARN Cc1cccc(CSc2ncc(Br)c(C(=O)NCc3ccccc3)n2)c1 ZINC000028292419 556450321 /nfs/dbraw/zinc/45/03/21/556450321.db2.gz LVMMTCWWTCVCBG-UHFFFAOYSA-N 0 0 428.355 4.770 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c2ccccc12 ZINC000032865707 556450997 /nfs/dbraw/zinc/45/09/97/556450997.db2.gz QSWMBKPTUNMUIU-AREMUKBSSA-N 0 0 442.559 4.968 50 0 IJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000072275033 556454399 /nfs/dbraw/zinc/45/43/99/556454399.db2.gz HHKAFTQIZGHFKB-VOIUYBSRSA-N 0 0 443.592 4.524 50 0 IJAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)c(C)s1 ZINC000013074467 556455018 /nfs/dbraw/zinc/45/50/18/556455018.db2.gz UOPAPZLBENAACM-UHFFFAOYSA-N 0 0 438.343 4.581 50 0 IJAARN CC[C@H](NC(=O)Nc1ccccc1OC)c1noc(-c2cccc(Br)c2)n1 ZINC000072275181 556455266 /nfs/dbraw/zinc/45/52/66/556455266.db2.gz HZPMAMPPQHHLNB-AWEZNQCLSA-N 0 0 431.290 4.781 50 0 IJAARN CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1 ZINC000014887730 556455786 /nfs/dbraw/zinc/45/57/86/556455786.db2.gz FLDSVNKVHLXMLM-UHFFFAOYSA-N 0 0 429.446 4.708 50 0 IJAARN Cc1cc(C)c(C(=O)N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)o1 ZINC000014951825 556460593 /nfs/dbraw/zinc/46/05/93/556460593.db2.gz AVJIIUXLYSSMLP-UHFFFAOYSA-N 0 0 444.959 4.906 50 0 IJAARN O=c1cc(CSCc2coc(-c3cccc(F)c3)n2)nc2ccc(Br)cn12 ZINC000028907396 556463507 /nfs/dbraw/zinc/46/35/07/556463507.db2.gz QLNIPNFNHBTLAW-UHFFFAOYSA-N 0 0 446.301 4.685 50 0 IJAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)s1 ZINC000014959493 556463544 /nfs/dbraw/zinc/46/35/44/556463544.db2.gz UDOAWDVNKBIQPW-INIZCTEOSA-N 0 0 432.973 4.553 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1C ZINC000013112300 556464526 /nfs/dbraw/zinc/46/45/26/556464526.db2.gz YOPCDHXAUCYQNN-KRWDZBQOSA-N 0 0 434.492 4.711 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000013112815 556465865 /nfs/dbraw/zinc/46/58/65/556465865.db2.gz FRSMSIFJSRASDN-UHFFFAOYSA-N 0 0 445.953 4.519 50 0 IJAARN Cc1cc2occ(CC(=O)N(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)c2cc1C ZINC000029072393 556466587 /nfs/dbraw/zinc/46/65/87/556466587.db2.gz BMVDCJLUGKVHQG-UHFFFAOYSA-N 0 0 432.442 4.543 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)N1CCc2ccccc21 ZINC000013116224 556468875 /nfs/dbraw/zinc/46/88/75/556468875.db2.gz UBCKUWSZNMXCEY-UONOGXRCSA-N 0 0 425.579 4.993 50 0 IJAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC(c4nc5ccccc5o4)CC3)CCC(=O)N2)cc1 ZINC000014979996 556470170 /nfs/dbraw/zinc/47/01/70/556470170.db2.gz GFQMWUZXTKRKAP-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(COc4cccc(C)c4)o3)c2C)no1 ZINC000013117659 556470454 /nfs/dbraw/zinc/47/04/54/556470454.db2.gz HLXXNMIAAJPUTL-UHFFFAOYSA-N 0 0 438.509 4.636 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCCC3=O)cc12 ZINC000013126028 556475047 /nfs/dbraw/zinc/47/50/47/556475047.db2.gz QRYOASMUJVDLTK-UHFFFAOYSA-N 0 0 434.496 4.914 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000029474952 556476142 /nfs/dbraw/zinc/47/61/42/556476142.db2.gz DEJVQSOSFPISGY-UHFFFAOYSA-N 0 0 425.432 4.549 50 0 IJAARN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Oc2ncccn2)cc1 ZINC000072284301 556476164 /nfs/dbraw/zinc/47/61/64/556476164.db2.gz JIYMVHAXEBCNOO-UHFFFAOYSA-N 0 0 437.809 4.777 50 0 IJAARN CCCn1nnnc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 ZINC000013128517 556477795 /nfs/dbraw/zinc/47/77/95/556477795.db2.gz SGLRKHHXGSQCKR-UHFFFAOYSA-N 0 0 437.573 4.573 50 0 IJAARN CCCc1ccc([C@@H](NC(=O)c2cccc(NS(=O)(=O)CC)c2)c2cccs2)cc1 ZINC000029547425 556477892 /nfs/dbraw/zinc/47/78/92/556477892.db2.gz PBNJIKYTKFLGIS-JOCHJYFZSA-N 0 0 442.606 4.982 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000014998212 556478719 /nfs/dbraw/zinc/47/87/19/556478719.db2.gz WWQJUMHOBCDIOE-XMMPIXPASA-N 0 0 442.559 4.860 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(F)cc1 ZINC000013141245 556486593 /nfs/dbraw/zinc/48/65/93/556486593.db2.gz YMMPJDDELXVSIS-UHFFFAOYSA-N 0 0 430.508 4.753 50 0 IJAARN COc1ccc2c(COC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc(=O)oc2c1 ZINC000013141997 556487122 /nfs/dbraw/zinc/48/71/22/556487122.db2.gz NQDTWWHNUZWBMI-UHFFFAOYSA-N 0 0 446.484 4.867 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc2ccccc2o1 ZINC000015018969 556487535 /nfs/dbraw/zinc/48/75/35/556487535.db2.gz XZQRAXKMRCZLDQ-UHFFFAOYSA-N 0 0 432.427 4.978 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013145594 556487746 /nfs/dbraw/zinc/48/77/46/556487746.db2.gz JETSSBRJXDGOSR-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005720 556488946 /nfs/dbraw/zinc/48/89/46/556488946.db2.gz JGGBCVUNYOKBQR-JLTOFOAXSA-N 0 0 445.441 4.732 50 0 IJAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000013147996 556489374 /nfs/dbraw/zinc/48/93/74/556489374.db2.gz DKDFVRLAULCTMA-HXUWFJFHSA-N 0 0 430.957 4.594 50 0 IJAARN Cc1cccc(-c2nnc(SCc3nc(=O)c4c5c(sc4[nH]3)C[C@H](C)CC5)n2C)c1 ZINC000013148441 556489658 /nfs/dbraw/zinc/48/96/58/556489658.db2.gz FJTNRIBFPZJAMC-CYBMUJFWSA-N 0 0 437.594 4.506 50 0 IJAARN NC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Cl ZINC000030135271 556490910 /nfs/dbraw/zinc/49/09/10/556490910.db2.gz TXIKNVXNOPNMSF-FXAWDEMLSA-N 0 0 431.920 4.546 50 0 IJAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000030217422 556491689 /nfs/dbraw/zinc/49/16/89/556491689.db2.gz NMDHVQAWINYOPQ-UHFFFAOYSA-N 0 0 429.907 4.746 50 0 IJAARN O=C([C@@H](Sc1nnc(Nc2ccccc2Cl)s1)c1ccccc1)N1CCOCC1 ZINC000013163361 556493802 /nfs/dbraw/zinc/49/38/02/556493802.db2.gz WHZZEXRLWPPRIZ-KRWDZBQOSA-N 0 0 446.985 4.627 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000013163668 556494519 /nfs/dbraw/zinc/49/45/19/556494519.db2.gz NEFSVBYHGKTSCL-UHFFFAOYSA-N 0 0 434.517 4.635 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000013163910 556495126 /nfs/dbraw/zinc/49/51/26/556495126.db2.gz YENLZGUMRKMIQP-HXUWFJFHSA-N 0 0 448.866 4.740 50 0 IJAARN O=C([C@@H]1CCCO1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000015070226 556495266 /nfs/dbraw/zinc/49/52/66/556495266.db2.gz AECGBGHUTMBGQL-VWLOTQADSA-N 0 0 434.511 4.550 50 0 IJAARN Cc1sc2ncn(CC(=O)N(C)[C@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1 ZINC000013164758 556497022 /nfs/dbraw/zinc/49/70/22/556497022.db2.gz HQDJERZCOHCBPP-NRFANRHFSA-N 0 0 443.572 4.969 50 0 IJAARN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000015080442 556500812 /nfs/dbraw/zinc/50/08/12/556500812.db2.gz MPZBMJKJFICPEH-LJQANCHMSA-N 0 0 437.495 4.780 50 0 IJAARN Cc1c([C@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000030649251 556500976 /nfs/dbraw/zinc/50/09/76/556500976.db2.gz YDPLLJPEJFQTLL-HNNXBMFYSA-N 0 0 439.441 4.876 50 0 IJAARN O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000030667592 556501383 /nfs/dbraw/zinc/50/13/83/556501383.db2.gz UZYHGCXVRWWHSO-UHFFFAOYSA-N 0 0 432.867 4.572 50 0 IJAARN COc1ccc(NC(=O)c2ccco2)cc1Nc1cc(C)nc2nc(-c3ccccc3)nn21 ZINC000013364918 556503016 /nfs/dbraw/zinc/50/30/16/556503016.db2.gz BWGXUUDUSMJDGZ-UHFFFAOYSA-N 0 0 440.463 4.697 50 0 IJAARN Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c1C ZINC000004554470 556503190 /nfs/dbraw/zinc/50/31/90/556503190.db2.gz CWRVRZIUWUWLEL-MUUNZHRXSA-N 0 0 427.544 4.970 50 0 IJAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000015105864 556503902 /nfs/dbraw/zinc/50/39/02/556503902.db2.gz NCOHIRHLIXJATL-RUZDIDTESA-N 0 0 437.478 4.880 50 0 IJAARN CCN(CC(=O)NCc1cccs1)c1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000015167629 556507179 /nfs/dbraw/zinc/50/71/79/556507179.db2.gz CCSYJWPWACIWHP-UHFFFAOYSA-N 0 0 438.578 4.571 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccs1 ZINC000032882191 556508764 /nfs/dbraw/zinc/50/87/64/556508764.db2.gz TVAJUYCPABZLCJ-HNNXBMFYSA-N 0 0 437.352 4.506 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Br)cc2)cc1OC ZINC000032895153 556514665 /nfs/dbraw/zinc/51/46/65/556514665.db2.gz RDOUIYUCGVVACT-KBXCAEBGSA-N 0 0 434.330 4.597 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1O ZINC000013552618 556515500 /nfs/dbraw/zinc/51/55/00/556515500.db2.gz BGIDCMDJGYQRFC-GOSISDBHSA-N 0 0 441.491 4.784 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)[C@@H]3c1ccccc1 ZINC000013554768 556515810 /nfs/dbraw/zinc/51/58/10/556515810.db2.gz QAQVYRBFSOKMMG-IBGZPJMESA-N 0 0 428.883 4.866 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955401 556518367 /nfs/dbraw/zinc/51/83/67/556518367.db2.gz BCYQFSVXIWHDNB-UHFFFAOYSA-N 0 0 430.430 4.606 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2ncccc2c1=O ZINC000032893441 556521287 /nfs/dbraw/zinc/52/12/87/556521287.db2.gz WTGGPTDIJCJPCR-KRWDZBQOSA-N 0 0 446.576 4.570 50 0 IJAARN CC(C)c1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000013576812 556526313 /nfs/dbraw/zinc/52/63/13/556526313.db2.gz TXFSDDHVFIFOLE-QHCPKHFHSA-N 0 0 433.552 4.698 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000013577158 556526770 /nfs/dbraw/zinc/52/67/70/556526770.db2.gz JLKISVAFSCNBQH-GFCCVEGCSA-N 0 0 442.865 4.934 50 0 IJAARN O=C(Nc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)s1)c1ccco1 ZINC000032899361 556530481 /nfs/dbraw/zinc/53/04/81/556530481.db2.gz LHOZZUYFGAJCIJ-HXUWFJFHSA-N 0 0 438.505 4.504 50 0 IJAARN Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(-c5ccccc5)[nH]c(=O)c43)cc2)cc1 ZINC000013593569 556531264 /nfs/dbraw/zinc/53/12/64/556531264.db2.gz WDAJZNZXMXNESY-JOCHJYFZSA-N 0 0 437.499 4.798 50 0 IJAARN COc1cc(-c2nc(CCNC(=O)c3ccc4ccccc4c3)cs2)cc(OC)c1OC ZINC000013607142 556533310 /nfs/dbraw/zinc/53/33/10/556533310.db2.gz GNESRACSUWUBBM-UHFFFAOYSA-N 0 0 448.544 4.962 50 0 IJAARN COc1ccc(NC(=O)c2cnc3nc(SCc4ccccc4Cl)nn3c2C)cc1 ZINC000013608653 556533818 /nfs/dbraw/zinc/53/38/18/556533818.db2.gz DJVNGGBQZSZRIB-UHFFFAOYSA-N 0 0 439.928 4.639 50 0 IJAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)cc1C ZINC000032901516 556536698 /nfs/dbraw/zinc/53/66/98/556536698.db2.gz SVWPGBMDLKHCCN-UHFFFAOYSA-N 0 0 445.544 4.582 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Cl ZINC000013625500 556537029 /nfs/dbraw/zinc/53/70/29/556537029.db2.gz WEIDILBRQAPFBE-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Br)cc3F)n2)cc1 ZINC000015669624 556541897 /nfs/dbraw/zinc/54/18/97/556541897.db2.gz SFCPPXBKPZSMKD-UHFFFAOYSA-N 0 0 434.265 4.608 50 0 IJAARN Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Br)c1 ZINC000015722679 556545381 /nfs/dbraw/zinc/54/53/81/556545381.db2.gz CISOXYPQYWBNJY-CPNJWEJPSA-N 0 0 425.282 4.760 50 0 IJAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)cc1 ZINC000013655288 556545978 /nfs/dbraw/zinc/54/59/78/556545978.db2.gz QCZZDYOUTQXEJA-UHFFFAOYSA-N 0 0 445.471 4.598 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1C ZINC000032905449 556548455 /nfs/dbraw/zinc/54/84/55/556548455.db2.gz IAIUGJTWVXVXGJ-UHFFFAOYSA-N 0 0 426.516 4.813 50 0 IJAARN O=C(c1csc(COc2ccc(Cl)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032906312 556552208 /nfs/dbraw/zinc/55/22/08/556552208.db2.gz TVIVHOOITMLKSG-UHFFFAOYSA-N 0 0 448.375 4.991 50 0 IJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1OC ZINC000015842333 556557001 /nfs/dbraw/zinc/55/70/01/556557001.db2.gz LMHMMELGHCUWEA-UHFFFAOYSA-N 0 0 427.508 4.986 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccc(F)cc4)nn3)c2)cc1 ZINC000033257964 556557390 /nfs/dbraw/zinc/55/73/90/556557390.db2.gz GEIBSHMZIYZPPJ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)Cc1cccc(O)c1 ZINC000072308185 556564665 /nfs/dbraw/zinc/56/46/65/556564665.db2.gz JGQGZTHGYCSAAX-OAQYLSRUSA-N 0 0 429.476 4.541 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)c2c1C ZINC000032960351 556564706 /nfs/dbraw/zinc/56/47/06/556564706.db2.gz DXHIYIFSNJKCJG-OAHLLOKOSA-N 0 0 448.445 4.902 50 0 IJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OC(=O)c1ccccc1 ZINC000015945248 556566614 /nfs/dbraw/zinc/56/66/14/556566614.db2.gz UOAPLSIBJCUZMP-PEBXRYMYSA-N 0 0 448.544 4.955 50 0 IJAARN Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c2cc(Br)ccc2n1 ZINC000032961452 556572511 /nfs/dbraw/zinc/57/25/11/556572511.db2.gz DJCBMADQSSMSNN-UHFFFAOYSA-N 0 0 438.369 4.885 50 0 IJAARN CCOC(=O)C[C@@H](O)C[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000034393385 556572871 /nfs/dbraw/zinc/57/28/71/556572871.db2.gz MAUQAXOHCVNUMX-UQFLNUTESA-N 0 0 449.522 4.997 50 0 IJAARN COc1ccc2c(CSc3nnc(Nc4ccccc4OC)s3)cc(=O)oc2c1 ZINC000016046156 556580156 /nfs/dbraw/zinc/58/01/56/556580156.db2.gz QVFPRHLWZBHETK-UHFFFAOYSA-N 0 0 427.507 4.698 50 0 IJAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O ZINC000016050369 556580967 /nfs/dbraw/zinc/58/09/67/556580967.db2.gz ZQTWDSHYSPCIKS-QFIPXVFZSA-N 0 0 442.302 4.552 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000016115899 556584103 /nfs/dbraw/zinc/58/41/03/556584103.db2.gz GSVPMEBEARYBGZ-GZTJUZNOSA-N 0 0 442.924 4.828 50 0 IJAARN CCO[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)C12CCCCC2 ZINC000072311486 556586537 /nfs/dbraw/zinc/58/65/37/556586537.db2.gz KBVFPSVMNKQEIV-LOSJGSFVSA-N 0 0 448.607 4.936 50 0 IJAARN O=C(CCOc1cccc(Br)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032967044 556587701 /nfs/dbraw/zinc/58/77/01/556587701.db2.gz VVCZAVOZQFFGFM-UHFFFAOYSA-N 0 0 429.314 4.765 50 0 IJAARN O=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000032971529 556589284 /nfs/dbraw/zinc/58/92/84/556589284.db2.gz FVZSRTUUIVUIGH-UHFFFAOYSA-N 0 0 447.482 4.839 50 0 IJAARN COc1ccc(-c2ccc(CCC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 ZINC000016234860 556593720 /nfs/dbraw/zinc/59/37/20/556593720.db2.gz OHFCHVJEKLSFFF-SFHVURJKSA-N 0 0 430.508 4.688 50 0 IJAARN COc1cccc([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000036247808 556595285 /nfs/dbraw/zinc/59/52/85/556595285.db2.gz MXSISOFMUOGTDG-SFHVURJKSA-N 0 0 438.549 4.919 50 0 IJAARN COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000036372338 556597532 /nfs/dbraw/zinc/59/75/32/556597532.db2.gz SKWMDAJIQZJZKL-FCHUYYIVSA-N 0 0 429.516 4.872 50 0 IJAARN Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000071768985 556600954 /nfs/dbraw/zinc/60/09/54/556600954.db2.gz UIRGVINHADZGBV-UHFFFAOYSA-N 0 0 443.469 4.944 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Cl)ccc3n2)cc1 ZINC000016392273 556604538 /nfs/dbraw/zinc/60/45/38/556604538.db2.gz FLWAJMJYIPAQFM-UHFFFAOYSA-N 0 0 434.927 4.971 50 0 IJAARN O=C(CSCc1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016398913 556605083 /nfs/dbraw/zinc/60/50/83/556605083.db2.gz MYIWAAZEHUCRDS-UHFFFAOYSA-N 0 0 439.806 4.685 50 0 IJAARN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000016447916 556608230 /nfs/dbraw/zinc/60/82/30/556608230.db2.gz PISKVMZCFKMDOM-UHFFFAOYSA-N 0 0 438.512 4.768 50 0 IJAARN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000016475296 556610387 /nfs/dbraw/zinc/61/03/87/556610387.db2.gz FWAUHMBWRHUPGI-UHFFFAOYSA-N 0 0 449.576 4.752 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)cc1 ZINC000016662721 556621309 /nfs/dbraw/zinc/62/13/09/556621309.db2.gz BZNCMXXVDHBPDR-UHFFFAOYSA-N 0 0 431.319 4.625 50 0 IJAARN Cc1ccc(/C=C2\N=C(c3cccc(C4=N/C(=C\c5ccc(C)cc5)C(=O)O4)c3)OC2=O)cc1 ZINC000033770468 556633317 /nfs/dbraw/zinc/63/33/17/556633317.db2.gz LLTMYFQYXLMCCW-YBOYZMIGSA-N 0 0 448.478 4.992 50 0 IJAARN CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 ZINC000016752298 556637900 /nfs/dbraw/zinc/63/79/00/556637900.db2.gz OSZRFOIREHWQTR-QHCPKHFHSA-N 0 0 435.520 4.680 50 0 IJAARN Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2nc3ncccc3o2)c1 ZINC000037427384 556638159 /nfs/dbraw/zinc/63/81/59/556638159.db2.gz MBPNJIDWUQDVRE-UHFFFAOYSA-N 0 0 434.395 4.985 50 0 IJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016753522 556638458 /nfs/dbraw/zinc/63/84/58/556638458.db2.gz DKHIWVWCLISRMV-QHCPKHFHSA-N 0 0 426.472 4.722 50 0 IJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000016753279 556638478 /nfs/dbraw/zinc/63/84/78/556638478.db2.gz YJYDBNMPKNIQRF-ASSNKEHSSA-N 0 0 444.318 4.813 50 0 IJAARN COCc1nn2c(ncc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040397102 556639499 /nfs/dbraw/zinc/63/94/99/556639499.db2.gz LDHOLFRKMNCOBE-UHFFFAOYSA-N 0 0 432.499 4.887 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)cc1C ZINC000040484829 556643605 /nfs/dbraw/zinc/64/36/05/556643605.db2.gz FPFWNGJZZOXKOA-UHFFFAOYSA-N 0 0 440.478 4.711 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2 ZINC000037601373 556646147 /nfs/dbraw/zinc/64/61/47/556646147.db2.gz FBLGGGJMDSEJST-JWQCQUIFSA-N 0 0 434.580 4.563 50 0 IJAARN O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000032922150 556647689 /nfs/dbraw/zinc/64/76/89/556647689.db2.gz KFCMMGQLRJYPLR-UHFFFAOYSA-N 0 0 448.788 4.952 50 0 IJAARN Cc1ccc(-n2nnc(C(=O)NCc3cccc(C(F)(F)F)c3)c2-c2cccnc2)cc1 ZINC000038487489 556649646 /nfs/dbraw/zinc/64/96/46/556649646.db2.gz LBTQZXLCPNWZSY-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)NCCc3ccccc3)c3ccccc3S2)cc1 ZINC000016953497 556650185 /nfs/dbraw/zinc/65/01/85/556650185.db2.gz WJGMWANNZMTXSV-DEOSSOPVSA-N 0 0 446.572 4.624 50 0 IJAARN Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C ZINC000011758702 556653454 /nfs/dbraw/zinc/65/34/54/556653454.db2.gz YMZGRFHQIDZXMP-UHFFFAOYSA-N 0 0 440.512 4.967 50 0 IJAARN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)C3)s1 ZINC000011784046 556655289 /nfs/dbraw/zinc/65/52/89/556655289.db2.gz WARQOMWQFZMFNJ-NONVJHHQSA-N 0 0 427.953 4.903 50 0 IJAARN Cc1cccc2c(C(=O)N3CCN(c4ccccc4F)CC3)cc(-c3cccnc3)nc12 ZINC000017094880 556658068 /nfs/dbraw/zinc/65/80/68/556658068.db2.gz VGPLTVCTURZALN-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4csc5ccccc45)c(=O)c23)C1 ZINC000017095566 556659068 /nfs/dbraw/zinc/65/90/68/556659068.db2.gz ORGZJJTYHBRPEZ-SNVBAGLBSA-N 0 0 427.576 4.844 50 0 IJAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1Cl ZINC000011835153 556659690 /nfs/dbraw/zinc/65/96/90/556659690.db2.gz HAHFJXHCJFLLCB-UHFFFAOYSA-N 0 0 433.892 4.768 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(OC)c1 ZINC000033012854 556662557 /nfs/dbraw/zinc/66/25/57/556662557.db2.gz CTICCXQHNSASLT-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(Cl)cc2)sc1NC(=O)c1ccoc1C ZINC000017098209 556662824 /nfs/dbraw/zinc/66/28/24/556662824.db2.gz BWVGKRFVFPXOTM-UHFFFAOYSA-N 0 0 432.885 4.903 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)OCC(=O)Oc1ccccc1 ZINC000033014084 556664548 /nfs/dbraw/zinc/66/45/48/556664548.db2.gz LQOFDBRUYVCNHF-UHFFFAOYSA-N 0 0 446.528 4.634 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000011866271 556666199 /nfs/dbraw/zinc/66/61/99/556666199.db2.gz ONIAAMBJPDTGAT-ZDUSSCGKSA-N 0 0 431.282 4.861 50 0 IJAARN Cn1c(COc2ccccc2)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000017102330 556666577 /nfs/dbraw/zinc/66/65/77/556666577.db2.gz FLQMJSIRZMKEOG-UHFFFAOYSA-N 0 0 438.534 4.539 50 0 IJAARN CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)CC1 ZINC000017113237 556668164 /nfs/dbraw/zinc/66/81/64/556668164.db2.gz HBTOUJJPBFABBV-UHFFFAOYSA-N 0 0 435.615 4.756 50 0 IJAARN CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(F)cc3)s2)CC1 ZINC000011913755 556672572 /nfs/dbraw/zinc/67/25/72/556672572.db2.gz VXVKMUVRTOVUEY-UHFFFAOYSA-N 0 0 439.578 4.586 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@@H]2C1 ZINC000017986624 556680623 /nfs/dbraw/zinc/68/06/23/556680623.db2.gz DNCFJPFQNZRNOK-RPVQJOFSSA-N 0 0 442.309 4.594 50 0 IJAARN Brc1ccc(-c2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 ZINC000045221591 556685663 /nfs/dbraw/zinc/68/56/63/556685663.db2.gz YBRHQWVVVRJKTH-UHFFFAOYSA-N 0 0 430.283 4.528 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018245028 556687948 /nfs/dbraw/zinc/68/79/48/556687948.db2.gz JDZVQNMSEINRDU-OALUTQOASA-N 0 0 431.319 4.726 50 0 IJAARN O=c1cc(CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)nc2ccccn12 ZINC000033874792 556688898 /nfs/dbraw/zinc/68/88/98/556688898.db2.gz GAWVZIOHWWHKST-UHFFFAOYSA-N 0 0 429.480 4.813 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1)N1CCCC1 ZINC000097656543 556688909 /nfs/dbraw/zinc/68/89/09/556688909.db2.gz UAMALTPWXWNRFZ-ICFOKQHNSA-N 0 0 432.545 4.952 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000046141356 556692728 /nfs/dbraw/zinc/69/27/28/556692728.db2.gz SRFUCVLZZWHMSX-UHFFFAOYSA-N 0 0 449.941 4.841 50 0 IJAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137612405 556697691 /nfs/dbraw/zinc/69/76/91/556697691.db2.gz YHWRGPPHBFCXQM-YTFSRNRJSA-N 0 0 448.906 4.790 50 0 IJAARN Cc1ccc(C(=O)NCCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)cc1F ZINC000033026149 556702288 /nfs/dbraw/zinc/70/22/88/556702288.db2.gz OAASJLLIJGWAPV-UHFFFAOYSA-N 0 0 445.498 4.637 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccccc1SCc1cc(=O)n2ccc(C)cc2n1 ZINC000033026533 556703578 /nfs/dbraw/zinc/70/35/78/556703578.db2.gz SHZSVEGJRAEQDH-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN O=C(Nc1ccccc1Sc1nc(Br)nn1CCc1ccccc1)C1CC1 ZINC000033036331 556719020 /nfs/dbraw/zinc/71/90/20/556719020.db2.gz IJSPBTQYSWLLOV-UHFFFAOYSA-N 0 0 443.370 4.783 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCCC2 ZINC000072324404 556721895 /nfs/dbraw/zinc/72/18/95/556721895.db2.gz MTEMFLZTCJCAJS-HSZRJFAPSA-N 0 0 431.536 4.695 50 0 biogenic IJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000072328441 556725890 /nfs/dbraw/zinc/72/58/90/556725890.db2.gz PXQMTKYETPNDEX-UHFFFAOYSA-N 0 0 440.950 4.836 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000072328666 556726033 /nfs/dbraw/zinc/72/60/33/556726033.db2.gz JRCHSEZYAJFIGJ-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(Br)c2)cc1Cl ZINC000072329329 556726660 /nfs/dbraw/zinc/72/66/60/556726660.db2.gz TYPVPGDGHVDRMO-UHFFFAOYSA-N 0 0 434.721 4.821 50 0 IJAARN CCOc1ccc(CC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC ZINC000072330969 556728891 /nfs/dbraw/zinc/72/88/91/556728891.db2.gz GPEDLXSNCYUPLU-UHFFFAOYSA-N 0 0 426.296 4.515 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033040220 556731914 /nfs/dbraw/zinc/73/19/14/556731914.db2.gz TXNBPJKUKNZQBR-RUZDIDTESA-N 0 0 433.527 4.645 50 0 IJAARN O=C(NCc1cc2ccccc2s1)c1ccc(-c2ccsc2)nc1N1CCOCC1 ZINC000019300649 556735102 /nfs/dbraw/zinc/73/51/02/556735102.db2.gz IQYOZHNHYWPPLU-UHFFFAOYSA-N 0 0 435.574 4.791 50 0 IJAARN O=C(CCCc1cccs1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000019300150 556735181 /nfs/dbraw/zinc/73/51/81/556735181.db2.gz COHQQUZZKGOOEN-UHFFFAOYSA-N 0 0 425.516 4.933 50 0 IJAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc3c(c2)OCO3)cc1 ZINC000019330644 556736873 /nfs/dbraw/zinc/73/68/73/556736873.db2.gz GVICTBANZBJREB-UHFFFAOYSA-N 0 0 446.547 4.839 50 0 IJAARN CCOC(=O)COc1ccc(C)cc1C(=O)c1ccn2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000013828414 556744663 /nfs/dbraw/zinc/74/46/63/556744663.db2.gz QKPYDJPQHGDIDS-UHFFFAOYSA-N 0 0 449.894 4.531 50 0 IJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 ZINC000057411588 556747477 /nfs/dbraw/zinc/74/74/77/556747477.db2.gz ZCLHVVZILBPBHU-UHFFFAOYSA-N 0 0 446.938 4.723 50 0 IJAARN C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000057945625 556749706 /nfs/dbraw/zinc/74/97/06/556749706.db2.gz HVCBFCIPABFZTF-LBPRGKRZSA-N 0 0 428.747 4.502 50 0 IJAARN Cc1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)c2nc3n(c2n1)CCCCC3 ZINC000057991159 556750612 /nfs/dbraw/zinc/75/06/12/556750612.db2.gz HPWSGPFRLFQPPL-FQEVSTJZSA-N 0 0 444.539 4.643 50 0 IJAARN COc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)cc1OC(F)F ZINC000058085639 556757040 /nfs/dbraw/zinc/75/70/40/556757040.db2.gz BNKDETIWZSARED-UHFFFAOYSA-N 0 0 437.446 4.625 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165715 556759686 /nfs/dbraw/zinc/75/96/86/556759686.db2.gz XXQHERWZHXDJMQ-MRXNPFEDSA-N 0 0 430.430 4.606 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000058160608 556764582 /nfs/dbraw/zinc/76/45/82/556764582.db2.gz KSRZWJSHMNLIOF-RUZDIDTESA-N 0 0 431.536 4.562 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058161331 556765121 /nfs/dbraw/zinc/76/51/21/556765121.db2.gz QNFVAYYGHVTJGZ-QHCPKHFHSA-N 0 0 437.540 4.798 50 0 IJAARN CCOc1cc2c(c3[nH]c(C(=O)N[C@@H](C)c4ccc(NC(=O)C5CC5)cc4)cc31)O[C@H](C)C2 ZINC000058161590 556765587 /nfs/dbraw/zinc/76/55/87/556765587.db2.gz LPPPDFHVKCVKES-CABCVRRESA-N 0 0 447.535 4.730 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)Nc2c(C(F)(F)F)c(C)nn2-c2ccccc2)cc1 ZINC000058161936 556765591 /nfs/dbraw/zinc/76/55/91/556765591.db2.gz SQQIUMKJEMJBEA-UHFFFAOYSA-N 0 0 431.414 4.810 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)nc(N2CCCC2)n1 ZINC000062021880 556765846 /nfs/dbraw/zinc/76/58/46/556765846.db2.gz TVBYEFVHIHWGQB-UHFFFAOYSA-N 0 0 426.524 4.791 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058268762 556777008 /nfs/dbraw/zinc/77/70/08/556777008.db2.gz YMBWJQJYCRPQJC-JOCHJYFZSA-N 0 0 443.601 4.960 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000058268811 556777055 /nfs/dbraw/zinc/77/70/55/556777055.db2.gz BYFWVZMJLNJJRJ-RUZDIDTESA-N 0 0 437.572 4.898 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)c2)oc1C ZINC000058357522 556782699 /nfs/dbraw/zinc/78/26/99/556782699.db2.gz NZIIHMVSMGZESR-MRXNPFEDSA-N 0 0 443.425 4.969 50 0 IJAARN COCCN(CC(F)(F)F)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC000058365746 556783182 /nfs/dbraw/zinc/78/31/82/556783182.db2.gz FLZNOKDLRWSIPK-UHFFFAOYSA-N 0 0 438.450 4.540 50 0 IJAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)OCCCO4)c(C(F)(F)F)c2)n1 ZINC000058411492 556786256 /nfs/dbraw/zinc/78/62/56/556786256.db2.gz ARPDGBSOHFGOME-UHFFFAOYSA-N 0 0 445.441 4.599 50 0 IJAARN CCc1ccc([C@@H](NC(=O)Cc2csc(NC(=O)C(C)C)n2)c2cccs2)cc1 ZINC000058439444 556788695 /nfs/dbraw/zinc/78/86/95/556788695.db2.gz BPANIWDMKKISJL-HXUWFJFHSA-N 0 0 427.595 4.810 50 0 IJAARN COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1 ZINC000058976728 556793816 /nfs/dbraw/zinc/79/38/16/556793816.db2.gz UPCYUKFGGCNTOQ-OAHLLOKOSA-N 0 0 448.548 4.609 50 0 IJAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC000059254123 556796142 /nfs/dbraw/zinc/79/61/42/556796142.db2.gz JJBDVZZQUBZCRV-UHFFFAOYSA-N 0 0 448.420 4.628 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000003187893 556804027 /nfs/dbraw/zinc/80/40/27/556804027.db2.gz KHGONJVUNIQSIW-DEOSSOPVSA-N 0 0 448.588 4.620 50 0 IJAARN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000059799940 556804718 /nfs/dbraw/zinc/80/47/18/556804718.db2.gz OCHWZLLFAUUIEA-UHFFFAOYSA-N 0 0 446.400 4.949 50 0 IJAARN O=C(COC(=O)c1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003250619 556804947 /nfs/dbraw/zinc/80/49/47/556804947.db2.gz QMJMLHQRIWLWRC-UHFFFAOYSA-N 0 0 435.044 4.638 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N(C)C3CCCCC3)cc12 ZINC000003238198 556806518 /nfs/dbraw/zinc/80/65/18/556806518.db2.gz MXTAHMLLJIJZHF-UHFFFAOYSA-N 0 0 445.972 4.997 50 0 IJAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCCOc1cc(C)ccc1C ZINC000003312000 556809492 /nfs/dbraw/zinc/80/94/92/556809492.db2.gz DTGSOXFUIUNZLP-GOSISDBHSA-N 0 0 445.560 4.992 50 0 IJAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003356089 556811615 /nfs/dbraw/zinc/81/16/15/556811615.db2.gz OEXOMBUBKICSQQ-QBBOHKLWSA-N 0 0 431.222 4.573 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003442927 556815804 /nfs/dbraw/zinc/81/58/04/556815804.db2.gz JRTBJYPEYWFMHR-UHFFFAOYSA-N 0 0 434.492 4.899 50 0 IJAARN COc1cc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)cc(OC)c1OC ZINC000033062218 556818056 /nfs/dbraw/zinc/81/80/56/556818056.db2.gz GWZLRKFYXNEMHJ-LJQANCHMSA-N 0 0 446.507 4.542 50 0 IJAARN O=C(c1cnc2ccccc2c1Nc1ccccc1Br)N1CCSCC1 ZINC000064471870 556824463 /nfs/dbraw/zinc/82/44/63/556824463.db2.gz SCZNEUBAFHULGI-UHFFFAOYSA-N 0 0 428.355 4.930 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F ZINC000064662002 556825941 /nfs/dbraw/zinc/82/59/41/556825941.db2.gz YUMBWVMZHLSEEX-RUZDIDTESA-N 0 0 447.535 4.573 50 0 IJAARN COc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662166 556826163 /nfs/dbraw/zinc/82/61/63/556826163.db2.gz MMJQREHBWPJMHI-DEOSSOPVSA-N 0 0 437.565 4.579 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F ZINC000064662278 556826211 /nfs/dbraw/zinc/82/62/11/556826211.db2.gz LOGDHOUYZQFGJI-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccc(F)cc5)CC4)c3c2)o1 ZINC000064667891 556826526 /nfs/dbraw/zinc/82/65/26/556826526.db2.gz VEGKFHUYBUIMJS-UHFFFAOYSA-N 0 0 444.510 4.532 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)n2)cc1 ZINC000064800281 556827208 /nfs/dbraw/zinc/82/72/08/556827208.db2.gz RQROZOXNBFRKEM-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN COc1cccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc43)n2)c1 ZINC000064949899 556829704 /nfs/dbraw/zinc/82/97/04/556829704.db2.gz YOZKHVLRACLLJU-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000064984121 556829945 /nfs/dbraw/zinc/82/99/45/556829945.db2.gz NFGAUACSXKEPLE-OAHLLOKOSA-N 0 0 430.389 4.825 50 0 IJAARN O=C(NCc1ccccc1F)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002513 556830907 /nfs/dbraw/zinc/83/09/07/556830907.db2.gz OFWJJIMGVSSZGM-UHFFFAOYSA-N 0 0 440.522 4.631 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(F)cc1 ZINC000019630041 556832057 /nfs/dbraw/zinc/83/20/57/556832057.db2.gz PHVANSAHCJCCGH-UHFFFAOYSA-N 0 0 439.541 4.958 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1F ZINC000019633196 556833570 /nfs/dbraw/zinc/83/35/70/556833570.db2.gz CQPPCSDSRBBSBM-UHFFFAOYSA-N 0 0 441.315 4.571 50 0 IJAARN Cn1c(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)nc2ccccc21 ZINC000019635593 556835136 /nfs/dbraw/zinc/83/51/36/556835136.db2.gz PISKOADIHFLNJS-UHFFFAOYSA-N 0 0 442.426 4.616 50 0 IJAARN CCc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C[C@H]2CCCO2)cs1 ZINC000019637030 556835763 /nfs/dbraw/zinc/83/57/63/556835763.db2.gz AIKDAJWEOFFFDR-GOSISDBHSA-N 0 0 442.610 4.787 50 0 IJAARN Fc1cccc(CN2CCN(C(=S)Nc3ccc(Br)cc3Cl)CC2)c1 ZINC000019637130 556835811 /nfs/dbraw/zinc/83/58/11/556835811.db2.gz HLJWCJYRMRUCCP-UHFFFAOYSA-N 0 0 442.785 4.756 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000011215475 556843280 /nfs/dbraw/zinc/84/32/80/556843280.db2.gz GAKWDJFLCCNLJM-QHCPKHFHSA-N 0 0 429.545 4.697 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)nn1-c1ccccc1Cl ZINC000008883371 556850710 /nfs/dbraw/zinc/85/07/10/556850710.db2.gz WZDMLLOTPYXDSU-UHFFFAOYSA-N 0 0 440.233 4.701 50 0 IJAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2c(C)cccc2C)CC1 ZINC000033069277 556850814 /nfs/dbraw/zinc/85/08/14/556850814.db2.gz HVBRGTFXLLHUAA-UHFFFAOYSA-N 0 0 445.567 4.611 50 0 IJAARN Cc1ccc(N2CCN(C(=O)c3cnc(N4CCCCC4)c4ccccc34)CC2)c(C)c1 ZINC000033073237 556852538 /nfs/dbraw/zinc/85/25/38/556852538.db2.gz VFLTZIWPZWCUSP-UHFFFAOYSA-N 0 0 428.580 4.804 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000033077536 556854470 /nfs/dbraw/zinc/85/44/70/556854470.db2.gz BWLBXGGQAVZHMG-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)c32)cc1 ZINC000033084791 556854669 /nfs/dbraw/zinc/85/46/69/556854669.db2.gz UXOVRGRPEYTDIO-SFHVURJKSA-N 0 0 441.535 4.687 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc1 ZINC000033084370 556855286 /nfs/dbraw/zinc/85/52/86/556855286.db2.gz MERGQHASGPJYCY-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000033088362 556856219 /nfs/dbraw/zinc/85/62/19/556856219.db2.gz NBPBWWILOVDROS-UHFFFAOYSA-N 0 0 426.467 4.552 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NCCCOC)c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1 ZINC000033085689 556856743 /nfs/dbraw/zinc/85/67/43/556856743.db2.gz OKCAYRGXRDAMAZ-UHFFFAOYSA-N 0 0 448.498 4.596 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)Nc3ccccc3C)c2sc1NC(C)=O ZINC000033113654 556860353 /nfs/dbraw/zinc/86/03/53/556860353.db2.gz LEADTMGVJLYMNX-UHFFFAOYSA-N 0 0 440.521 4.671 50 0 IJAARN CCOC(=O)C1CCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2F)CC1 ZINC000033116267 556862072 /nfs/dbraw/zinc/86/20/72/556862072.db2.gz RAIZDENCHSWVJK-UHFFFAOYSA-N 0 0 440.540 4.802 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3C)ccc2=O)cc1C ZINC000033128068 556864978 /nfs/dbraw/zinc/86/49/78/556864978.db2.gz LRVYRIRVJMLRLD-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)[C@@H]1C ZINC000004672564 556867812 /nfs/dbraw/zinc/86/78/12/556867812.db2.gz TVXDYQVOJSRYIB-HMFYCAOWSA-N 0 0 433.637 4.776 50 0 IJAARN CCCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000004672814 556868101 /nfs/dbraw/zinc/86/81/01/556868101.db2.gz GGDGXKZKINEFJY-SCPLRKQGSA-N 0 0 430.589 4.573 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4ccc(OC)cc4)n3)c2)cc1 ZINC000033130512 556870634 /nfs/dbraw/zinc/87/06/34/556870634.db2.gz ZFSVFSUIFSWHRW-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(Oc4cccc(OC)c4)nn3)cc2)cc1 ZINC000033130920 556871317 /nfs/dbraw/zinc/87/13/17/556871317.db2.gz BUDRKOWHIITFRU-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000043729656 556873383 /nfs/dbraw/zinc/87/33/83/556873383.db2.gz QNWDUSMUDZYWSX-ONJIFJTESA-N 0 0 426.541 4.505 50 0 IJAARN CC(=O)N1C(=S)NC(=O)C1=Cc1cc2cccc(C)c2nc1Sc1ccc(C)cc1 ZINC000033157321 556878433 /nfs/dbraw/zinc/87/84/33/556878433.db2.gz QZGBNIHVCLOZAV-UNOMPAQXSA-N 0 0 433.558 4.607 50 0 IJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(OC)cc1OC ZINC000015953728 556880407 /nfs/dbraw/zinc/88/04/07/556880407.db2.gz PRLICLKVJOQTML-PMWMKWCKSA-N 0 0 439.552 4.611 50 0 biogenic IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccccc3C)C2)cc1 ZINC000033168757 556880909 /nfs/dbraw/zinc/88/09/09/556880909.db2.gz PDAMYIUILYLZTN-NRFANRHFSA-N 0 0 432.593 4.777 50 0 IJAARN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168877 556881214 /nfs/dbraw/zinc/88/12/14/556881214.db2.gz JYFPBSGFJZFJCH-NRFANRHFSA-N 0 0 432.593 4.723 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 ZINC000033170993 556881868 /nfs/dbraw/zinc/88/18/68/556881868.db2.gz HEKAGRFXVVFPED-QINSGFPZSA-N 0 0 431.558 4.503 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)N2CCc3ccccc32)c1-c1cc(C(F)(F)F)on1 ZINC000033173901 556883943 /nfs/dbraw/zinc/88/39/43/556883943.db2.gz JRTZIMNKLHYLOF-UHFFFAOYSA-N 0 0 428.457 4.790 50 0 IJAARN CCc1ccccc1NS(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170553 556886129 /nfs/dbraw/zinc/88/61/29/556886129.db2.gz CAKGQLYPIAVSLM-SEYXRHQNSA-N 0 0 439.537 4.783 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000033170551 556886149 /nfs/dbraw/zinc/88/61/49/556886149.db2.gz PNLDKFDHMAHJQJ-QXMHVHEDSA-N 0 0 439.537 4.838 50 0 IJAARN CCc1cccc(NS(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)c1 ZINC000033170589 556886165 /nfs/dbraw/zinc/88/61/65/556886165.db2.gz PYVFYYOYGAAQEI-QXMHVHEDSA-N 0 0 439.537 4.783 50 0 IJAARN COC(=O)c1scc(Br)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000071864099 556888578 /nfs/dbraw/zinc/88/85/78/556888578.db2.gz NVALAXBVOBNNKF-UHFFFAOYSA-N 0 0 436.324 4.974 50 0 IJAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249434 556889416 /nfs/dbraw/zinc/88/94/16/556889416.db2.gz GFDFRMQGFNUPML-UHFFFAOYSA-N 0 0 442.968 4.910 50 0 IJAARN CCCCN1C(=O)c2c(-n3cccc3)c3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249541 556889466 /nfs/dbraw/zinc/88/94/66/556889466.db2.gz NZOMVSDVJDURJW-SANMLTNESA-N 0 0 432.568 4.505 50 0 IJAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000033247331 556889746 /nfs/dbraw/zinc/88/97/46/556889746.db2.gz SRQGDTHJRNNRTO-WAPJZHGLSA-N 0 0 429.295 4.953 50 0 IJAARN COc1ccc([C@@H](CC(=O)NCc2cccc(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000033249873 556891318 /nfs/dbraw/zinc/89/13/18/556891318.db2.gz KJYHFPZCYPIDFY-HSZRJFAPSA-N 0 0 434.923 4.752 50 0 IJAARN Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C(C)(C)C)C3 ZINC000033252287 556892976 /nfs/dbraw/zinc/89/29/76/556892976.db2.gz FCFJGCRHVABWRG-QGZVFWFLSA-N 0 0 437.609 4.693 50 0 IJAARN Cc1ccc(C(=O)N(C)CCc2noc(COc3cccc(C(F)(F)F)c3)n2)c(C)c1 ZINC000033252775 556893481 /nfs/dbraw/zinc/89/34/81/556893481.db2.gz KMNYCVVDSQKQPH-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCc1cccs1 ZINC000033255166 556894812 /nfs/dbraw/zinc/89/48/12/556894812.db2.gz GVDYVMZPMJIQGZ-UHFFFAOYSA-N 0 0 431.517 4.579 50 0 IJAARN Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1 ZINC000033258252 556896019 /nfs/dbraw/zinc/89/60/19/556896019.db2.gz NSIZTNRZWWNMAG-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN COc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1Br ZINC000019781914 556913762 /nfs/dbraw/zinc/91/37/62/556913762.db2.gz KQTFAINZMBJQMU-UHFFFAOYSA-N 0 0 443.307 4.794 50 0 IJAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1NCc1ccco1)c1ccc(Cl)cc1 ZINC000019811066 556919139 /nfs/dbraw/zinc/91/91/39/556919139.db2.gz YNYGNSFWRFHYGN-PKTZIBPZSA-N 0 0 438.936 4.950 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859664 556932088 /nfs/dbraw/zinc/93/20/88/556932088.db2.gz UIWOZCMINPITKI-SFHVURJKSA-N 0 0 442.968 4.674 50 0 IJAARN CCc1cc([C@H](c2ccc(OC)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880654 556937042 /nfs/dbraw/zinc/93/70/42/556937042.db2.gz CEFZBYWDQNHLIR-QHCPKHFHSA-N 0 0 436.577 4.993 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)COc4cccc(C)c4)CC3)ccc21 ZINC000019889340 556938468 /nfs/dbraw/zinc/93/84/68/556938468.db2.gz DYTIAPDHQWLBAA-UHFFFAOYSA-N 0 0 441.575 4.846 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889750 556938860 /nfs/dbraw/zinc/93/88/60/556938860.db2.gz QTTFLXAPTDHDQN-UHFFFAOYSA-N 0 0 442.968 4.639 50 0 IJAARN CCOc1ccc(N2C(=O)C[C@H](N3CCC(CCc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000019890302 556939312 /nfs/dbraw/zinc/93/93/12/556939312.db2.gz CCKWWVURKUMZQT-QHCPKHFHSA-N 0 0 440.971 4.715 50 0 IJAARN Cc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)c2c1 ZINC000019897784 556940857 /nfs/dbraw/zinc/94/08/57/556940857.db2.gz APSLDQXSOFIQHH-UHFFFAOYSA-N 0 0 438.527 4.649 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2n(CCOc2ccc(Cl)cc2)c1=N ZINC000019900362 556942038 /nfs/dbraw/zinc/94/20/38/556942038.db2.gz FZNHTSLBPGAQDV-UHFFFAOYSA-N 0 0 437.927 4.742 50 0 IJAARN O=C(Nc1ccc(C(=O)c2ccc(Br)cc2)cc1)c1ccc(-n2cccn2)nc1 ZINC000019910403 556943135 /nfs/dbraw/zinc/94/31/35/556943135.db2.gz VDNAUQZNPZKEHQ-UHFFFAOYSA-N 0 0 447.292 4.513 50 0 IJAARN CCc1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911089 556943137 /nfs/dbraw/zinc/94/31/37/556943137.db2.gz NPIUUJFNFTZOLJ-UHFFFAOYSA-N 0 0 426.345 4.702 50 0 IJAARN Cc1nn2c(nnc3c(=O)n(-c4ccc(F)c(Cl)c4)ccc32)c1-c1cccc(Cl)c1 ZINC000019962790 556956184 /nfs/dbraw/zinc/95/61/84/556956184.db2.gz SQPKNHZLIILHSC-UHFFFAOYSA-N 0 0 440.265 4.850 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4cccc(C)c4)ccc3[nH]2)cc1 ZINC000033264751 556974619 /nfs/dbraw/zinc/97/46/19/556974619.db2.gz DHRHMWJESYBXRB-UHFFFAOYSA-N 0 0 440.547 4.935 50 0 IJAARN N=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000020064444 556978215 /nfs/dbraw/zinc/97/82/15/556978215.db2.gz KZAVXUAAYVFCBN-GOSISDBHSA-N 0 0 442.346 4.717 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033268558 556985169 /nfs/dbraw/zinc/98/51/69/556985169.db2.gz RGDMVJUJGIZVAF-UHFFFAOYSA-N 0 0 427.504 4.958 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111306 556990034 /nfs/dbraw/zinc/99/00/34/556990034.db2.gz MTSCGCGICHWIEO-MRXNPFEDSA-N 0 0 437.297 4.541 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097112165 556990279 /nfs/dbraw/zinc/99/02/79/556990279.db2.gz UOXFCAVWBSWOKC-AWEZNQCLSA-N 0 0 425.851 4.963 50 0 IJAARN C[C@@H]1CC[C@@H](Cc2nc(C(C)(C)S(=O)(=O)c3ccc(Br)cc3)no2)C1 ZINC000097141558 556992731 /nfs/dbraw/zinc/99/27/31/556992731.db2.gz MRFVEBXRLHTZPX-CHWSQXEVSA-N 0 0 427.364 4.520 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5n4C(C)C)C3)cc2o1 ZINC000097163195 556994262 /nfs/dbraw/zinc/99/42/62/556994262.db2.gz QOEDTIFVIAMZGG-KRWDZBQOSA-N 0 0 438.553 4.635 50 0 IJAARN COc1cccc(CC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020274151 557004947 /nfs/dbraw/zinc/00/49/47/557004947.db2.gz FHWQIWIGEHBILZ-QFIPXVFZSA-N 0 0 433.895 4.847 50 0 IJAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000020274356 557005030 /nfs/dbraw/zinc/00/50/30/557005030.db2.gz ANEPEPKJQVMTFC-QHCPKHFHSA-N 0 0 447.535 4.752 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H](C)c2ccccc2)c2ccccc23)cc1 ZINC000020355923 557010061 /nfs/dbraw/zinc/01/00/61/557010061.db2.gz WFFAIUONGFTTTE-KRWDZBQOSA-N 0 0 443.532 4.592 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cc(F)ccc5C)n4ccn3n2)cc1 ZINC000045971331 557014316 /nfs/dbraw/zinc/01/43/16/557014316.db2.gz HMDJRNXYVXAWTJ-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(OC)cc2)cc3C)cc1 ZINC000045990620 557016456 /nfs/dbraw/zinc/01/64/56/557016456.db2.gz KMMNIYXCSXZFNC-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000010694902 557018826 /nfs/dbraw/zinc/01/88/26/557018826.db2.gz PKWDIBAMYPBTCA-UHFFFAOYSA-N 0 0 433.514 4.931 50 0 IJAARN CCc1cc(OCC(=O)N[C@H](C)c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017073 557020154 /nfs/dbraw/zinc/02/01/54/557020154.db2.gz NGAWOGQWDPOJBW-GOSISDBHSA-N 0 0 428.536 4.856 50 0 IJAARN CSc1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 ZINC000023138307 557021396 /nfs/dbraw/zinc/02/13/96/557021396.db2.gz JWVAZOWUMJYDAH-UHFFFAOYSA-N 0 0 431.970 4.619 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(OCc2ccccc2)CC1 ZINC000010756542 557024631 /nfs/dbraw/zinc/02/46/31/557024631.db2.gz MIJCRHBJAPDVDQ-UHFFFAOYSA-N 0 0 433.879 4.729 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3c(F)cccc3Cl)c3nc(C)ccc3c2=O)cc1 ZINC000046053740 557027041 /nfs/dbraw/zinc/02/70/41/557027041.db2.gz SNHUYIZHDYHPJZ-UHFFFAOYSA-N 0 0 436.870 4.785 50 0 IJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000072275031 557027124 /nfs/dbraw/zinc/02/71/24/557027124.db2.gz HHKAFTQIZGHFKB-UPCLLVRISA-N 0 0 443.592 4.524 50 0 IJAARN CC[C@H](C(=O)NCc1ccc(C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032944754 557027725 /nfs/dbraw/zinc/02/77/25/557027725.db2.gz JQSKMKVSIUPTJJ-GOSISDBHSA-N 0 0 431.458 4.608 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCc3ccc(Cl)cc3)c2cc1C ZINC000032944936 557028087 /nfs/dbraw/zinc/02/80/87/557028087.db2.gz NFHBBHAVQNYAQQ-CYBMUJFWSA-N 0 0 437.849 4.563 50 0 IJAARN NC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153897 557028796 /nfs/dbraw/zinc/02/87/96/557028796.db2.gz BEVPSUCGOXHXQA-UHFFFAOYSA-N 0 0 445.588 4.536 50 0 IJAARN Cc1cc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c(C)n1CCc1cccs1 ZINC000072085522 557028987 /nfs/dbraw/zinc/02/89/87/557028987.db2.gz BHAWYMPQWORVLQ-UHFFFAOYSA-N 0 0 443.619 4.847 50 0 IJAARN COc1ccc(Br)cc1-c1nc(COC(=O)c2ccc(Cl)nc2)cs1 ZINC000010806671 557029017 /nfs/dbraw/zinc/02/90/17/557029017.db2.gz RYNQCPXIGAYCGZ-UHFFFAOYSA-N 0 0 439.718 4.987 50 0 IJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N[C@@H](C)c2ccccc2Cl)o1 ZINC000032945467 557029032 /nfs/dbraw/zinc/02/90/32/557029032.db2.gz YWFSSWKMZRUIDT-QWHCGFSZSA-N 0 0 435.908 4.972 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)C(=O)CSc1nnc(-c2ccccc2Cl)o1 ZINC000072100761 557030107 /nfs/dbraw/zinc/03/01/07/557030107.db2.gz LJJIFFHOENWDGG-UHFFFAOYSA-N 0 0 438.336 4.673 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3ccccc3Cl)ccc1O2 ZINC000046077456 557033076 /nfs/dbraw/zinc/03/30/76/557033076.db2.gz DJQMUDCCCAFTON-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077520 557033306 /nfs/dbraw/zinc/03/33/06/557033306.db2.gz UIRBDEGPSQWSPK-UHFFFAOYSA-N 0 0 428.897 4.519 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079587 557034582 /nfs/dbraw/zinc/03/45/82/557034582.db2.gz FOTCBZNUKMVNMD-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN c1nn(-c2ccccc2)c2nc(N3CCN(c4ccccc4)CC3)nc(Nc3ccccc3)c12 ZINC000017190752 557035929 /nfs/dbraw/zinc/03/59/29/557035929.db2.gz BMYXOMKAFPIBBN-UHFFFAOYSA-N 0 0 447.546 4.886 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)s2)cc1 ZINC000046122947 557036471 /nfs/dbraw/zinc/03/64/71/557036471.db2.gz KTMZCBTVJAMCCP-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN FC(F)(F)c1nc2ccccc2n1Cc1nnc2sc(/C=C\c3ccccc3)nn12 ZINC000098041125 557039838 /nfs/dbraw/zinc/03/98/38/557039838.db2.gz HNSRBPXHRJKHQK-KHPPLWFESA-N 0 0 426.427 4.773 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c(C)c1 ZINC000051357531 557044963 /nfs/dbraw/zinc/04/49/63/557044963.db2.gz NMZOTTZQGKZCSX-UHFFFAOYSA-N 0 0 447.535 4.932 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1C ZINC000051357612 557045015 /nfs/dbraw/zinc/04/50/15/557045015.db2.gz MRPBRDIAHNPSQK-UHFFFAOYSA-N 0 0 447.535 4.932 50 0 IJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000017287722 557045297 /nfs/dbraw/zinc/04/52/97/557045297.db2.gz ZIIVQORTLJMAPI-NSHDSACASA-N 0 0 443.882 4.749 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181761 557045840 /nfs/dbraw/zinc/04/58/40/557045840.db2.gz QGFLNGCVAWSCID-NBGIEHNGSA-N 0 0 449.620 4.747 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181750 557045843 /nfs/dbraw/zinc/04/58/43/557045843.db2.gz QGFLNGCVAWSCID-NLFFAJNJSA-N 0 0 449.620 4.747 50 0 IJAARN CN(C)C(=O)c1cccc(CNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c1 ZINC000048235415 557046766 /nfs/dbraw/zinc/04/67/66/557046766.db2.gz JZYBCLRLFNUOQA-UHFFFAOYSA-N 0 0 426.536 4.618 50 0 IJAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4)n3)no2)c(C)c1 ZINC000033270805 557047801 /nfs/dbraw/zinc/04/78/01/557047801.db2.gz KMFGDMXPLGCMNT-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4n3)ccc2Cl)C1 ZINC000048231143 557048962 /nfs/dbraw/zinc/04/89/62/557048962.db2.gz QWTQTLWUAZGOEJ-OAHLLOKOSA-N 0 0 443.956 4.561 50 0 IJAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 ZINC000033271619 557049696 /nfs/dbraw/zinc/04/96/96/557049696.db2.gz MJXNAAUCCUDFCE-QGZVFWFLSA-N 0 0 434.521 4.672 50 0 IJAARN CC1(C)SC(=S)N(CCc2ccccc2F)[C@H]1N(O)C(=O)NC1CCCCC1 ZINC000004732495 557050411 /nfs/dbraw/zinc/05/04/11/557050411.db2.gz QKIXTBHDGQCANK-KRWDZBQOSA-N 0 0 425.595 4.540 50 0 IJAARN CCc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033273072 557051110 /nfs/dbraw/zinc/05/11/10/557051110.db2.gz IOPAKSZOIDVJPF-UHFFFAOYSA-N 0 0 435.553 4.764 50 0 IJAARN O=C(CC1CCCC1)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000033272867 557052932 /nfs/dbraw/zinc/05/29/32/557052932.db2.gz CUPYSRGJIITBKD-UHFFFAOYSA-N 0 0 432.977 4.730 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)c(C)o2)cc1OC ZINC000017315406 557053543 /nfs/dbraw/zinc/05/35/43/557053543.db2.gz RHYNBCJETBCGPT-UHFFFAOYSA-N 0 0 437.521 4.597 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000048279994 557057472 /nfs/dbraw/zinc/05/74/72/557057472.db2.gz RJFUEUNPTRUSFY-HSZRJFAPSA-N 0 0 448.935 4.823 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000023043473 557059479 /nfs/dbraw/zinc/05/94/79/557059479.db2.gz JOGBNZRMCZLJEE-UHFFFAOYSA-N 0 0 449.514 4.838 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)C1CC1 ZINC000017356552 557062494 /nfs/dbraw/zinc/06/24/94/557062494.db2.gz YCBISQGBWSBGFM-UHFFFAOYSA-N 0 0 439.559 4.583 50 0 IJAARN C[C@@H](C1CC1)N(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)C1CC1 ZINC000048303132 557064803 /nfs/dbraw/zinc/06/48/03/557064803.db2.gz ZEBDPXNFJCWDRR-SFHVURJKSA-N 0 0 437.547 4.945 50 0 IJAARN Cc1ccc2[nH]c(C(=O)NCCCOC(C)C)c(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000033287804 557065247 /nfs/dbraw/zinc/06/52/47/557065247.db2.gz QMJUSZQOSJXFOJ-UHFFFAOYSA-N 0 0 427.932 4.927 50 0 IJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 ZINC000017367632 557067933 /nfs/dbraw/zinc/06/79/33/557067933.db2.gz CRMDGGACERYVGO-UHFFFAOYSA-N 0 0 427.482 4.667 50 0 IJAARN COc1cc([C@H]2[C@H](Oc3ccccc3)C(=O)N2Cc2ccccc2)ccc1OC(F)F ZINC000048339790 557070086 /nfs/dbraw/zinc/07/00/86/557070086.db2.gz VZDGIQIFTZVYEM-VXKWHMMOSA-N 0 0 425.431 4.828 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000048332393 557070106 /nfs/dbraw/zinc/07/01/06/557070106.db2.gz IJDRFRLXEXNTGV-UHFFFAOYSA-N 0 0 427.327 4.517 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)c(C)s2)sc1C ZINC000033290029 557071813 /nfs/dbraw/zinc/07/18/13/557071813.db2.gz SSQAENQIQYNQKB-UHFFFAOYSA-N 0 0 427.016 4.971 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C)s2)n1 ZINC000033289973 557071919 /nfs/dbraw/zinc/07/19/19/557071919.db2.gz BSTGCFYTFBRTEF-MRXNPFEDSA-N 0 0 447.651 4.696 50 0 IJAARN COc1cc(OC)cc(C2=N/C(=C/c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 ZINC000048354415 557072676 /nfs/dbraw/zinc/07/26/76/557072676.db2.gz SVPZTDIEDBIQIJ-LFIBNONCSA-N 0 0 442.880 4.951 50 0 IJAARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000048355194 557073698 /nfs/dbraw/zinc/07/36/98/557073698.db2.gz TYMXOAFQAFTGBQ-CQSZACIVSA-N 0 0 444.318 4.724 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010884828 557073877 /nfs/dbraw/zinc/07/38/77/557073877.db2.gz FGTORTUUGBUHGU-UHFFFAOYSA-N 0 0 428.536 4.932 50 0 IJAARN COc1ccc(Cn2ccc3c2ccnc3SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000033298434 557074296 /nfs/dbraw/zinc/07/42/96/557074296.db2.gz HBQPEQDYRBECHL-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1OC ZINC000033299226 557075643 /nfs/dbraw/zinc/07/56/43/557075643.db2.gz DNKSUDBOPVMGIK-UHFFFAOYSA-N 0 0 448.444 4.548 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000048367896 557075691 /nfs/dbraw/zinc/07/56/91/557075691.db2.gz BHFUMOZHGKZQJW-UHFFFAOYSA-N 0 0 442.306 4.860 50 0 IJAARN CCOc1ccc(CCNC(=O)c2sc(-c3cccn3CC)nc2C)cc1OCC ZINC000033293241 557076223 /nfs/dbraw/zinc/07/62/23/557076223.db2.gz XNBNLJRPQPWVOK-UHFFFAOYSA-N 0 0 427.570 4.710 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299342 557077569 /nfs/dbraw/zinc/07/75/69/557077569.db2.gz GWRPWPFECLNJBV-UHFFFAOYSA-N 0 0 430.473 4.826 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000023258730 557080535 /nfs/dbraw/zinc/08/05/35/557080535.db2.gz DFIRGHBBQYUFSM-UHFFFAOYSA-N 0 0 437.503 4.706 50 0 IJAARN CC(=O)c1cccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000023261581 557080872 /nfs/dbraw/zinc/08/08/72/557080872.db2.gz PDUYIVPIWCZLGO-UHFFFAOYSA-N 0 0 445.544 4.563 50 0 IJAARN COc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(C)c3)n2)cc1 ZINC000049001765 557081177 /nfs/dbraw/zinc/08/11/77/557081177.db2.gz FGCYAFPSTYQQEC-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000033299234 557081225 /nfs/dbraw/zinc/08/12/25/557081225.db2.gz GUFNNYYOGHGMRQ-UHFFFAOYSA-N 0 0 436.864 4.862 50 0 IJAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000011300532 557081232 /nfs/dbraw/zinc/08/12/32/557081232.db2.gz IUOLFIDZMSLXEG-UHFFFAOYSA-N 0 0 431.920 4.575 50 0 IJAARN CCOc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000048986894 557082523 /nfs/dbraw/zinc/08/25/23/557082523.db2.gz NYVMEAJORZRFOX-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN O=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c2c(-c3cccc(Cl)c3)csc21 ZINC000048988960 557083084 /nfs/dbraw/zinc/08/30/84/557083084.db2.gz WUWGJSBZAGCBAT-UHFFFAOYSA-N 0 0 436.968 4.627 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(Br)cc2)n1 ZINC000049004917 557083922 /nfs/dbraw/zinc/08/39/22/557083922.db2.gz AIQXEBNBBWRKFM-UHFFFAOYSA-N 0 0 443.370 4.633 50 0 IJAARN O=c1ccn(-c2cccc(Br)c2)nc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC000049006412 557085104 /nfs/dbraw/zinc/08/51/04/557085104.db2.gz DUKABQIAVXBHMN-UHFFFAOYSA-N 0 0 447.651 4.505 50 0 IJAARN Cc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(OCc5ccccc5)cc4)no3)n2)c1 ZINC000049006336 557085106 /nfs/dbraw/zinc/08/51/06/557085106.db2.gz ZMSWIXWRVXFZNL-UHFFFAOYSA-N 0 0 436.471 4.837 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc3ncccc32)s1 ZINC000023341278 557086396 /nfs/dbraw/zinc/08/63/96/557086396.db2.gz SIGYWBHFVLADGV-CYBMUJFWSA-N 0 0 437.550 4.958 50 0 IJAARN O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1nc(-c2cccnc2)cs1 ZINC000049029654 557089056 /nfs/dbraw/zinc/08/90/56/557089056.db2.gz JKKYZTANQOBDLB-UHFFFAOYSA-N 0 0 428.930 4.635 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382490 557089981 /nfs/dbraw/zinc/08/99/81/557089981.db2.gz TZEAFKOGRLUWSK-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(Br)ccc1Cl ZINC000010903461 557090600 /nfs/dbraw/zinc/09/06/00/557090600.db2.gz ARKTWKVMZDVGHZ-UHFFFAOYSA-N 0 0 432.749 4.894 50 0 IJAARN CC(C)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411280 557091227 /nfs/dbraw/zinc/09/12/27/557091227.db2.gz NYMITNDCIGDJCA-QHCPKHFHSA-N 0 0 439.519 4.671 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Br)c(C)c2)n1 ZINC000049004551 557092901 /nfs/dbraw/zinc/09/29/01/557092901.db2.gz XPGHBBFVSJSWGM-UHFFFAOYSA-N 0 0 425.330 4.989 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCCC1 ZINC000023484340 557094535 /nfs/dbraw/zinc/09/45/35/557094535.db2.gz QPFDNRBSJOMKHE-GDBMZVCRSA-N 0 0 432.659 4.798 50 0 IJAARN Cc1nc(C2(NC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)CCCCC2)no1 ZINC000023508591 557095339 /nfs/dbraw/zinc/09/53/39/557095339.db2.gz JRGLJBNKWOWQPJ-UHFFFAOYSA-N 0 0 434.500 4.553 50 0 IJAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCCc4ccccc4)CC3)ncn2)c1 ZINC000033312062 557095759 /nfs/dbraw/zinc/09/57/59/557095759.db2.gz VWSZIHCEYOUMTM-UHFFFAOYSA-N 0 0 446.620 4.820 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ncn2)cc1 ZINC000033312008 557096095 /nfs/dbraw/zinc/09/60/95/557096095.db2.gz DCIVSJFDFKZLMV-UHFFFAOYSA-N 0 0 444.579 4.797 50 0 IJAARN CCN1c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2[S@](=O)c2ccccc2C1=O ZINC000033313857 557098245 /nfs/dbraw/zinc/09/82/45/557098245.db2.gz KRSCSLBMHMDHNJ-MNAQKMTRSA-N 0 0 444.556 4.641 50 0 IJAARN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000023619981 557101441 /nfs/dbraw/zinc/10/14/41/557101441.db2.gz JZZCHHDQTTUMKI-UHFFFAOYSA-N 0 0 431.458 4.573 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nnc(-c2cccs2)o1 ZINC000017665755 557106534 /nfs/dbraw/zinc/10/65/34/557106534.db2.gz JQKUPMACKQVBCS-KBPBESRZSA-N 0 0 440.550 4.540 50 0 IJAARN CCOc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 ZINC000086069681 557108121 /nfs/dbraw/zinc/10/81/21/557108121.db2.gz FFLGTQIYUAUMAP-UHFFFAOYSA-N 0 0 435.915 4.641 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)nn2c1C ZINC000086069564 557108135 /nfs/dbraw/zinc/10/81/35/557108135.db2.gz YLJDATKHSJNWQT-UHFFFAOYSA-N 0 0 435.915 4.641 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(Cn2cnc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000049421939 557108956 /nfs/dbraw/zinc/10/89/56/557108956.db2.gz PEFKUSMSJPNFPW-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN O=C(NCc1ccccc1)c1cn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000049421844 557109011 /nfs/dbraw/zinc/10/90/11/557109011.db2.gz UATOOQZQJLCBLD-UHFFFAOYSA-N 0 0 444.922 4.767 50 0 IJAARN COc1ccc(-c2noc([C@H](NC(=O)COc3ccc(Cl)c(C)c3)C(C)C)n2)cc1 ZINC000585152251 557112350 /nfs/dbraw/zinc/11/23/50/557112350.db2.gz GZHLKSKTGNPZEG-HXUWFJFHSA-N 0 0 429.904 4.599 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000011370366 557115226 /nfs/dbraw/zinc/11/52/26/557115226.db2.gz YMGDGUPCIFLPMT-JSVQFZOWSA-N 0 0 445.563 4.679 50 0 IJAARN O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000000896152 557116597 /nfs/dbraw/zinc/11/65/97/557116597.db2.gz DCKBYWBQURJCEG-XMMPIXPASA-N 0 0 443.499 4.881 50 0 IJAARN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000049590279 557116914 /nfs/dbraw/zinc/11/69/14/557116914.db2.gz YCSIXMUHMSIQMH-HXUWFJFHSA-N 0 0 431.554 4.536 50 0 IJAARN O=C1N/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000033334250 557117579 /nfs/dbraw/zinc/11/75/79/557117579.db2.gz GWBHSPAFBMXEGU-DHDCSXOGSA-N 0 0 425.204 4.561 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000033332927 557117934 /nfs/dbraw/zinc/11/79/34/557117934.db2.gz JQNILVBIZXLKQX-USOSVOSNSA-N 0 0 440.499 4.829 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@H]4CSc5nc(C)cc(=O)n54)cc3)sc2c1 ZINC000012236468 557120735 /nfs/dbraw/zinc/12/07/35/557120735.db2.gz XRDOOCSTOZPZLZ-KRWDZBQOSA-N 0 0 448.573 4.812 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C)c(Oc1ccc(Br)cc1)c2=O ZINC000000627480 557122254 /nfs/dbraw/zinc/12/22/54/557122254.db2.gz AXQVADAIESYZKO-ZDUSSCGKSA-N 0 0 447.281 4.987 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000023907655 557124350 /nfs/dbraw/zinc/12/43/50/557124350.db2.gz LRDKBPDDIXAPMO-VWLOTQADSA-N 0 0 432.589 4.669 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)cc1 ZINC000000655241 557129315 /nfs/dbraw/zinc/12/93/15/557129315.db2.gz PCLFJIZILWJZBL-QFIPXVFZSA-N 0 0 431.389 4.631 50 0 IJAARN COc1ccc(CCNC(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 ZINC000000661514 557130792 /nfs/dbraw/zinc/13/07/92/557130792.db2.gz QKOSDVZWPYNZFL-UHFFFAOYSA-N 0 0 433.533 4.535 50 0 biogenic IJAARN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000660548 557130835 /nfs/dbraw/zinc/13/08/35/557130835.db2.gz JZNQXSOTMAHFCP-UHFFFAOYSA-N 0 0 446.528 4.967 50 0 IJAARN COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)C[C@@H](C)CC4)cc1 ZINC000000664007 557131469 /nfs/dbraw/zinc/13/14/69/557131469.db2.gz MMYLHZWHWHVHII-NSHDSACASA-N 0 0 449.498 4.961 50 0 IJAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 ZINC000024054862 557134517 /nfs/dbraw/zinc/13/45/17/557134517.db2.gz DHYJJEIGQVAHGS-UHFFFAOYSA-N 0 0 434.412 4.685 50 0 IJAARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)nc1-c1ccc(F)cc1 ZINC000024764356 557136232 /nfs/dbraw/zinc/13/62/32/557136232.db2.gz QLPRFNGULLMSOU-GOSISDBHSA-N 0 0 425.485 4.627 50 0 IJAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1-c1nnnn1C1CC1 ZINC000024775167 557137599 /nfs/dbraw/zinc/13/75/99/557137599.db2.gz DVUDIOISBBYFBX-UXBLZVDNSA-N 0 0 433.821 4.999 50 0 IJAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000011437801 557147685 /nfs/dbraw/zinc/14/76/85/557147685.db2.gz SKEVZMWEKYWZPN-UHFFFAOYSA-N 0 0 434.521 4.538 50 0 IJAARN CSc1ncccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000024480049 557148022 /nfs/dbraw/zinc/14/80/22/557148022.db2.gz UTADZKTYXOUZIG-OAQYLSRUSA-N 0 0 430.577 4.913 50 0 IJAARN Cc1c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000719137 557149204 /nfs/dbraw/zinc/14/92/04/557149204.db2.gz SHWARDRQEOLITO-UHFFFAOYSA-N 0 0 447.922 4.969 50 0 IJAARN Cc1cnc(C(=O)O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cn1 ZINC000011480777 557152228 /nfs/dbraw/zinc/15/22/28/557152228.db2.gz OATDXEUSTIKQAH-GOSISDBHSA-N 0 0 449.816 4.994 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)OCC(=O)N(C)Cc1cccs1)c2-n1cccc1 ZINC000023297797 557155678 /nfs/dbraw/zinc/15/56/78/557155678.db2.gz OQZPARLKITXBOA-UHFFFAOYSA-N 0 0 439.562 4.581 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC[C@H]1c1cccs1 ZINC000024629842 557156273 /nfs/dbraw/zinc/15/62/73/557156273.db2.gz JSLGZYLISCHJJE-FQEVSTJZSA-N 0 0 447.585 4.903 50 0 IJAARN Cc1ccc(-c2csc(N3NC4=C(COc5ccccc54)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000016957637 557159267 /nfs/dbraw/zinc/15/92/67/557159267.db2.gz IZUYGJHIILAGJL-QRWLVFNGSA-N 0 0 431.439 4.602 50 0 IJAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000043983724 557160670 /nfs/dbraw/zinc/16/06/70/557160670.db2.gz RKWRAVQEBQITJD-UHFFFAOYSA-N 0 0 442.515 4.951 50 0 IJAARN CCc1nc2sc(C(=O)N(C)CC(=O)Nc3cccc4ccccc43)c(C)c2c(C)n1 ZINC000024856312 557168921 /nfs/dbraw/zinc/16/89/21/557168921.db2.gz ARDUHMRVTXROKS-UHFFFAOYSA-N 0 0 432.549 4.734 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC000024824988 557169158 /nfs/dbraw/zinc/16/91/58/557169158.db2.gz NNYQPQIBSAKACB-UHFFFAOYSA-N 0 0 435.377 4.848 50 0 IJAARN Clc1ccc(-c2nnc(Sc3ccc4nnnn4n3)n2C2CCCCC2)c(Cl)c1 ZINC000024828565 557169407 /nfs/dbraw/zinc/16/94/07/557169407.db2.gz QANZDIRHBHMQBW-UHFFFAOYSA-N 0 0 447.355 4.741 50 0 IJAARN CN1C(=O)c2ccc(NC(=O)N[C@@H](c3cc4ccccc4o3)c3ccccc3)cc2C1=O ZINC000024831349 557170275 /nfs/dbraw/zinc/17/02/75/557170275.db2.gz XUPPXCAEDGHKLZ-JOCHJYFZSA-N 0 0 425.444 4.570 50 0 IJAARN COc1cccc(CN(C)C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)c1OC ZINC000024832798 557171211 /nfs/dbraw/zinc/17/12/11/557171211.db2.gz OHHNKKNHZSSUEV-UHFFFAOYSA-N 0 0 437.521 4.858 50 0 IJAARN CC(=O)N(CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000000779470 557174681 /nfs/dbraw/zinc/17/46/81/557174681.db2.gz NEEMVQPGLUOCMI-HSZRJFAPSA-N 0 0 445.515 4.909 50 0 biogenic IJAARN O=C(Nc1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1)c1cccs1 ZINC000024933990 557181034 /nfs/dbraw/zinc/18/10/34/557181034.db2.gz QZGYTVMGCDWPDA-UHFFFAOYSA-N 0 0 434.517 4.593 50 0 IJAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000024943571 557181753 /nfs/dbraw/zinc/18/17/53/557181753.db2.gz PAOFEOAHKMSLEB-UHFFFAOYSA-N 0 0 429.904 4.981 50 0 IJAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 ZINC000009265226 557183190 /nfs/dbraw/zinc/18/31/90/557183190.db2.gz ZLJDURIRMBWORL-INIZCTEOSA-N 0 0 435.578 4.742 50 0 IJAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000011557981 557183964 /nfs/dbraw/zinc/18/39/64/557183964.db2.gz RWNADRRMYFZPDR-UHFFFAOYSA-N 0 0 439.441 4.532 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1C ZINC000009306300 557186415 /nfs/dbraw/zinc/18/64/15/557186415.db2.gz YEYHYSIVRRXDRK-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000025027636 557189759 /nfs/dbraw/zinc/18/97/59/557189759.db2.gz PYKWRFNBEIDQRP-JTQLQIEISA-N 0 0 426.851 4.766 50 0 IJAARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009699337 557191411 /nfs/dbraw/zinc/19/14/11/557191411.db2.gz ZNTHTLKFEYCFKT-UHFFFAOYSA-N 0 0 439.972 4.707 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000025147811 557196753 /nfs/dbraw/zinc/19/67/53/557196753.db2.gz KPVSERQLODJXHI-INIZCTEOSA-N 0 0 433.455 4.867 50 0 IJAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000025175160 557198638 /nfs/dbraw/zinc/19/86/38/557198638.db2.gz GWEOXNZBEWCHND-UHFFFAOYSA-N 0 0 444.560 4.749 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)s2)cc1OC ZINC000011585724 557204641 /nfs/dbraw/zinc/20/46/41/557204641.db2.gz AAMALLVSTLUCKT-SFHVURJKSA-N 0 0 448.548 4.989 50 0 IJAARN O=C(Cn1c(=O)oc2ccccc21)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000025349563 557205658 /nfs/dbraw/zinc/20/56/58/557205658.db2.gz SQEJVFJOTUEMDD-GOSISDBHSA-N 0 0 445.906 4.678 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000011614373 557208378 /nfs/dbraw/zinc/20/83/78/557208378.db2.gz QGIXPMBJTUWQLI-JOCHJYFZSA-N 0 0 430.460 4.936 50 0 IJAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(OC(C)C)cc2)N(c2nccs2)C1=O ZINC000011614526 557209582 /nfs/dbraw/zinc/20/95/82/557209582.db2.gz VCRZRWRXJAEZJL-FQEVSTJZSA-N 0 0 448.500 4.795 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)cc1 ZINC000025530683 557212897 /nfs/dbraw/zinc/21/28/97/557212897.db2.gz HOXQYAVHEPXXPE-UHFFFAOYSA-N 0 0 447.516 4.687 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000018019952 557222197 /nfs/dbraw/zinc/22/21/97/557222197.db2.gz PRJPCBAPGWCWHN-UHFFFAOYSA-N 0 0 431.261 4.559 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(OC)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000025783822 557226171 /nfs/dbraw/zinc/22/61/71/557226171.db2.gz MGVISGQXIVLQPB-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 ZINC000023320573 557231914 /nfs/dbraw/zinc/23/19/14/557231914.db2.gz QKRDPVWAGUVESR-LJQANCHMSA-N 0 0 433.552 4.924 50 0 IJAARN CCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)c1 ZINC000026041375 557232513 /nfs/dbraw/zinc/23/25/13/557232513.db2.gz CPJCVWRWYMZGHD-UHFFFAOYSA-N 0 0 449.985 4.710 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)s2)c1Cl ZINC000026041197 557232522 /nfs/dbraw/zinc/23/25/22/557232522.db2.gz SXHMJRQKOCUTOS-MRXNPFEDSA-N 0 0 443.956 4.780 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000011695812 557233137 /nfs/dbraw/zinc/23/31/37/557233137.db2.gz VMNVUAJKRJBMOR-UHFFFAOYSA-N 0 0 442.302 4.609 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000026090042 557234020 /nfs/dbraw/zinc/23/40/20/557234020.db2.gz RRPFDEMWFPISPQ-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN CSc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026090369 557234341 /nfs/dbraw/zinc/23/43/41/557234341.db2.gz TXKXJXKYPKYLAK-UHFFFAOYSA-N 0 0 439.587 4.900 50 0 IJAARN COc1ccc(OCc2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000026103228 557234596 /nfs/dbraw/zinc/23/45/96/557234596.db2.gz PDYQJXAZBFECHQ-DEOSSOPVSA-N 0 0 427.504 4.805 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1F ZINC000098211448 557234937 /nfs/dbraw/zinc/23/49/37/557234937.db2.gz AIGGEIXAKJTTNR-UHFFFAOYSA-N 0 0 426.835 4.645 50 0 IJAARN COc1ccc(-c2cc(N3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n[nH]2)cc1 ZINC000098211640 557235113 /nfs/dbraw/zinc/23/51/13/557235113.db2.gz JZWCTZVIVUPPIL-UHFFFAOYSA-N 0 0 432.568 4.735 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000026132924 557236166 /nfs/dbraw/zinc/23/61/66/557236166.db2.gz OQWAPFXZGQHZIN-UHFFFAOYSA-N 0 0 442.515 4.619 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(C)c1 ZINC000032950549 557236403 /nfs/dbraw/zinc/23/64/03/557236403.db2.gz ISZKGFWYKPQKJO-UHFFFAOYSA-N 0 0 440.613 4.581 50 0 IJAARN Cc1cc(NC(=O)NCCn2c3ccccc3nc2C(F)(F)F)ccc1Br ZINC000032951234 557242967 /nfs/dbraw/zinc/24/29/67/557242967.db2.gz SIJPHFBQGOLWGK-UHFFFAOYSA-N 0 0 441.251 4.948 50 0 IJAARN O=C(CN1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)Nc1ccccc1Cl ZINC000018148447 557243443 /nfs/dbraw/zinc/24/34/43/557243443.db2.gz GMUOUULKNNPEME-UHFFFAOYSA-N 0 0 449.938 4.529 50 0 IJAARN Cc1cccn2c(=O)cc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)nc12 ZINC000026574905 557245141 /nfs/dbraw/zinc/24/51/41/557245141.db2.gz XVBYSNHBADPIMY-UHFFFAOYSA-N 0 0 445.573 4.528 50 0 IJAARN Cc1csc(=O)n1CCCC(=O)O[C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000026585356 557245541 /nfs/dbraw/zinc/24/55/41/557245541.db2.gz SCECUOOHUXSFLU-HSZRJFAPSA-N 0 0 434.517 4.647 50 0 IJAARN CCOC(=O)C(C(=O)Nc1ccc(Cl)cc1Cl)=C1NC(C)(C)Cc2ccccc21 ZINC000100205296 557247218 /nfs/dbraw/zinc/24/72/18/557247218.db2.gz QUCLDYXMUZHWNE-HNENSFHCSA-N 0 0 433.335 4.831 50 0 IJAARN Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1 ZINC000072265273 557250484 /nfs/dbraw/zinc/25/04/84/557250484.db2.gz USVVOJOLVWMFOF-RUZDIDTESA-N 0 0 428.532 4.549 50 0 IJAARN COCCn1ccc2c1cccc2OCC(=O)NCCc1cn(CC(C)C)c2ccccc12 ZINC000604418616 557250780 /nfs/dbraw/zinc/25/07/80/557250780.db2.gz KUUQLYKSZOXXQT-UHFFFAOYSA-N 0 0 447.579 4.636 50 0 IJAARN CN(C)c1ccc([C@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc32)cc1 ZINC000005688264 557251379 /nfs/dbraw/zinc/25/13/79/557251379.db2.gz QGSLGUPTHNTOFI-DEOSSOPVSA-N 0 0 426.564 4.862 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000101095352 557254265 /nfs/dbraw/zinc/25/42/65/557254265.db2.gz BMEXTIPMTZCRPU-UHFFFAOYSA-N 0 0 435.480 4.953 50 0 IJAARN CC(=O)N1[C@@H](c2ccc(C)cc2)SC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000027118167 557257205 /nfs/dbraw/zinc/25/72/05/557257205.db2.gz XXUVPSTZJDJBAG-TZIWHRDSSA-N 0 0 437.392 4.623 50 0 IJAARN CC(=O)N1[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@H]1c1ccc(C)cc1 ZINC000027118173 557257306 /nfs/dbraw/zinc/25/73/06/557257306.db2.gz XXUVPSTZJDJBAG-CTNGQTDRSA-N 0 0 437.392 4.623 50 0 IJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390832183 557259997 /nfs/dbraw/zinc/25/99/97/557259997.db2.gz XVKPJYHHQGDSAM-HSZRJFAPSA-N 0 0 439.508 4.620 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000027348669 557260849 /nfs/dbraw/zinc/26/08/49/557260849.db2.gz PECWOTKCALNYBO-FQEVSTJZSA-N 0 0 444.988 4.665 50 0 IJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Br ZINC000012979142 557265724 /nfs/dbraw/zinc/26/57/24/557265724.db2.gz DZVOAARQMQAOJH-QGZVFWFLSA-N 0 0 426.332 4.718 50 0 IJAARN Cn1c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc(Br)c1Br ZINC000027581573 557266504 /nfs/dbraw/zinc/26/65/04/557266504.db2.gz UVVQASJXSUDISX-UHFFFAOYSA-N 0 0 441.938 4.691 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccc(F)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282039 557267132 /nfs/dbraw/zinc/26/71/32/557267132.db2.gz MHKUXULDANXEIX-INIZCTEOSA-N 0 0 440.478 4.757 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1 ZINC000101282118 557267138 /nfs/dbraw/zinc/26/71/38/557267138.db2.gz BLIXUWKUMOMDJS-UHFFFAOYSA-N 0 0 436.515 4.674 50 0 IJAARN C[C@@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)c1ccccc1 ZINC000101282166 557267164 /nfs/dbraw/zinc/26/71/64/557267164.db2.gz HBULTBMPNWNHTN-OAHLLOKOSA-N 0 0 442.906 4.963 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(C3CCCCC3)o2)c1 ZINC000027719251 557271978 /nfs/dbraw/zinc/27/19/78/557271978.db2.gz BEULZTJEAIWBLJ-GOSISDBHSA-N 0 0 431.558 4.590 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2c[nH]c3ccccc32)cc1 ZINC000027746306 557272932 /nfs/dbraw/zinc/27/29/32/557272932.db2.gz BBEIZUQHNGWGRR-QFIPXVFZSA-N 0 0 438.483 4.845 50 0 IJAARN CCCCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)cc1 ZINC000027789016 557273789 /nfs/dbraw/zinc/27/37/89/557273789.db2.gz IQLPCCVMUIMBQT-HXUWFJFHSA-N 0 0 433.552 4.851 50 0 IJAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000100955460 557279610 /nfs/dbraw/zinc/27/96/10/557279610.db2.gz PDEMYLGAPLJZEH-DNQXCXABSA-N 0 0 437.495 4.880 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000101265117 557285558 /nfs/dbraw/zinc/28/55/58/557285558.db2.gz XYQJFTRTDDLEDL-ROUUACIJSA-N 0 0 431.319 4.726 50 0 IJAARN C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1cccc(Cl)c1Cl ZINC000014086820 557300228 /nfs/dbraw/zinc/30/02/28/557300228.db2.gz IEBVGZCPSCQCPR-GFCCVEGCSA-N 0 0 438.307 4.656 50 0 IJAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)cc1 ZINC000101881552 557305351 /nfs/dbraw/zinc/30/53/51/557305351.db2.gz WNTVBJCQKPTTCH-UHFFFAOYSA-N 0 0 442.519 4.710 50 0 IJAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C(C)C)cc3)C(=O)C2)c1 ZINC000101881796 557305729 /nfs/dbraw/zinc/30/57/29/557305729.db2.gz ZFCBPFLZIXRTFG-UHFFFAOYSA-N 0 0 442.519 4.710 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(Br)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946379 557308307 /nfs/dbraw/zinc/30/83/07/557308307.db2.gz DZASKCWAVCWHDZ-QGZVFWFLSA-N 0 0 440.341 4.924 50 0 IJAARN COc1cccc(CC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023326604 557312497 /nfs/dbraw/zinc/31/24/97/557312497.db2.gz JPNCMUNFUMJBQK-SANMLTNESA-N 0 0 434.967 4.825 50 0 IJAARN O=C(c1ccc(Cl)nc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023327217 557312708 /nfs/dbraw/zinc/31/27/08/557312708.db2.gz PKTZBJUUFXYVFL-JOCHJYFZSA-N 0 0 426.347 4.936 50 0 IJAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102257953 557316685 /nfs/dbraw/zinc/31/66/85/557316685.db2.gz SHFNEUXQFVRNBW-NRFANRHFSA-N 0 0 439.581 4.616 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2ccccc2c1=O ZINC000014201056 557317293 /nfs/dbraw/zinc/31/72/93/557317293.db2.gz XUYIALKNFGEVML-QFIPXVFZSA-N 0 0 429.545 4.616 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)[C@H]1C ZINC000102399889 557320874 /nfs/dbraw/zinc/32/08/74/557320874.db2.gz WTLMTPUQLRATSR-GUXCAODWSA-N 0 0 439.556 4.558 50 0 IJAARN COc1ccc(CN2[C@@H](c3ccc(SC)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986925 557321687 /nfs/dbraw/zinc/32/16/87/557321687.db2.gz XRPJKGIQBDMFQK-QFIPXVFZSA-N 0 0 426.563 4.732 50 0 IJAARN COc1ccccc1NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125752 557324709 /nfs/dbraw/zinc/32/47/09/557324709.db2.gz KJCYPTNZLNBPHM-UHFFFAOYSA-N 0 0 430.936 4.804 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000102473042 557324780 /nfs/dbraw/zinc/32/47/80/557324780.db2.gz VGPNLODJAXQSKT-WFGGJUAMSA-N 0 0 438.391 4.921 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1 ZINC000014360786 557336316 /nfs/dbraw/zinc/33/63/16/557336316.db2.gz FKVBGDZDRAKKPP-ROUUACIJSA-N 0 0 432.520 4.572 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1 ZINC000102529488 557340439 /nfs/dbraw/zinc/34/04/39/557340439.db2.gz IDXQYGMGAJSXES-UHFFFAOYSA-N 0 0 427.504 4.890 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)NCc1ccc(Cl)cc1 ZINC000102529929 557341263 /nfs/dbraw/zinc/34/12/63/557341263.db2.gz SAFPZDGMLLXSKB-UHFFFAOYSA-N 0 0 435.886 4.653 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000102530276 557342272 /nfs/dbraw/zinc/34/22/72/557342272.db2.gz UIMLERLDYHGLBD-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(OC)cc2)CC1=O ZINC000102530308 557342605 /nfs/dbraw/zinc/34/26/05/557342605.db2.gz LRLBQJLJVABYNZ-UHFFFAOYSA-N 0 0 443.503 4.590 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(OC)cc3)C(=O)C2)cc1 ZINC000102530718 557342876 /nfs/dbraw/zinc/34/28/76/557342876.db2.gz YDRKMXYNPKHZJW-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN Cc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611252 557345403 /nfs/dbraw/zinc/34/54/03/557345403.db2.gz DLLISLZRPWJNCA-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN CC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)nc1-c1ccccc1 ZINC000014657693 557347385 /nfs/dbraw/zinc/34/73/85/557347385.db2.gz SBHRTACOEFMLSF-UHFFFAOYSA-N 0 0 447.560 4.812 50 0 IJAARN CC[C@@H](C)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000023336839 557349231 /nfs/dbraw/zinc/34/92/31/557349231.db2.gz RUGGGZZNIWFKMM-LJQANCHMSA-N 0 0 446.599 4.534 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1cccc(OC)c1)n2C(C)C ZINC000023434860 557355955 /nfs/dbraw/zinc/35/59/55/557355955.db2.gz QBXMOVPAGDSYAN-UHFFFAOYSA-N 0 0 447.626 4.949 50 0 IJAARN CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000023448530 557356311 /nfs/dbraw/zinc/35/63/11/557356311.db2.gz VWMAOEXXZDBQKM-AREMUKBSSA-N 0 0 447.531 4.899 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1cc(OC)c(OC)cc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102660394 557362086 /nfs/dbraw/zinc/36/20/86/557362086.db2.gz OCSAFFWSKCVDMV-LJQANCHMSA-N 0 0 444.557 4.724 50 0 IJAARN COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2c(C)noc2C)cc1OC ZINC000023476122 557363268 /nfs/dbraw/zinc/36/32/68/557363268.db2.gz IZKTYXQHNFZNLS-UHFFFAOYSA-N 0 0 444.871 4.571 50 0 IJAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Br)cc2)o1 ZINC000033779689 557364735 /nfs/dbraw/zinc/36/47/35/557364735.db2.gz YWZBXTVHYDUURE-CPNJWEJPSA-N 0 0 425.282 4.760 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000072328723 557365889 /nfs/dbraw/zinc/36/58/89/557365889.db2.gz RBKQNQCPLBOFRP-UHFFFAOYSA-N 0 0 445.350 4.745 50 0 IJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)C2)n1 ZINC000220793325 557366598 /nfs/dbraw/zinc/36/65/98/557366598.db2.gz HHUJFYFTPHFTOG-LJQANCHMSA-N 0 0 441.535 4.540 50 0 IJAARN Cc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1C ZINC000072332562 557371709 /nfs/dbraw/zinc/37/17/09/557371709.db2.gz BSGYHXHRWYEKPM-UHFFFAOYSA-N 0 0 429.505 4.877 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000102718293 557375274 /nfs/dbraw/zinc/37/52/74/557375274.db2.gz OLCLXMZHKQZWER-ULJHMMPZSA-N 0 0 437.499 4.537 50 0 IJAARN COc1ccc(OC)c([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000102753350 557383444 /nfs/dbraw/zinc/38/34/44/557383444.db2.gz UOKCEFADCNHZRQ-YEJXKQKISA-N 0 0 436.443 4.855 50 0 IJAARN CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000024022912 557391445 /nfs/dbraw/zinc/39/14/45/557391445.db2.gz SXLQNSIIEHMBJZ-VWLOTQADSA-N 0 0 449.620 4.516 50 0 IJAARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1OC ZINC000102835090 557394359 /nfs/dbraw/zinc/39/43/59/557394359.db2.gz OLDGUXXTAJSRNM-ZUOKHONESA-N 0 0 436.443 4.855 50 0 IJAARN COC(=O)c1ccoc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000024102942 557395722 /nfs/dbraw/zinc/39/57/22/557395722.db2.gz PFOMANFWFWYDLG-UHFFFAOYSA-N 0 0 429.885 4.912 50 0 IJAARN C[C@@H]1C[C@H](C)C[N@H+]([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000102894362 557405966 /nfs/dbraw/zinc/40/59/66/557405966.db2.gz UGBMOBXBDYNTMY-QWQRMKEZSA-N 0 0 426.517 4.963 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000103974024 557446489 /nfs/dbraw/zinc/44/64/89/557446489.db2.gz BZTHQELGQGOTPY-KGLIPLIRSA-N 0 0 438.391 4.544 50 0 IJAARN CC(C)C[C@H](NC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1)c1nnc2ccccn21 ZINC000223238002 557449782 /nfs/dbraw/zinc/44/97/82/557449782.db2.gz QTLQUXLPEDJJEU-QIJUGHKUSA-N 0 0 432.568 4.648 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2ccccc2F)[C@H]1C ZINC000104795183 557462011 /nfs/dbraw/zinc/46/20/11/557462011.db2.gz CMDXPQYOCAAKAJ-SELNLUPBSA-N 0 0 441.616 4.643 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000104966196 557469783 /nfs/dbraw/zinc/46/97/83/557469783.db2.gz DLWIZGRCPNFWCP-QPPBQGQZSA-N 0 0 447.579 4.964 50 0 IJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 ZINC000018391540 557512265 /nfs/dbraw/zinc/51/22/65/557512265.db2.gz SIHFNSIQPLKLAM-UHFFFAOYSA-N 0 0 437.473 4.508 50 0 IJAARN Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)c1 ZINC000012080443 557527748 /nfs/dbraw/zinc/52/77/48/557527748.db2.gz DVEVMWXPKKJDAV-VWNXMTODSA-N 0 0 433.533 4.609 50 0 IJAARN O=C(NCCCc1nc2ccccc2s1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000107350123 557535740 /nfs/dbraw/zinc/53/57/40/557535740.db2.gz ZLUOUMKUVOBBAS-HJNYFJLDSA-N 0 0 447.604 4.819 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000044803749 557537428 /nfs/dbraw/zinc/53/74/28/557537428.db2.gz FVNWRRLLYWWUII-SFHVURJKSA-N 0 0 438.959 4.605 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccccc2OCC)C1 ZINC000044803832 557537432 /nfs/dbraw/zinc/53/74/32/557537432.db2.gz RKEVVJWVFPTKTD-GOSISDBHSA-N 0 0 434.540 4.672 50 0 IJAARN COc1cccc(-c2nc(CC(=O)Nc3nnc(CCc4ccccc4)s3)cs2)c1 ZINC000044903560 557540420 /nfs/dbraw/zinc/54/04/20/557540420.db2.gz FODAGZOHSPJHCL-UHFFFAOYSA-N 0 0 436.562 4.637 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)c(OC)c1 ZINC000045684158 557545091 /nfs/dbraw/zinc/54/50/91/557545091.db2.gz DSCFDGKFGZQDTC-UHFFFAOYSA-N 0 0 446.532 4.754 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C ZINC000045900515 557547039 /nfs/dbraw/zinc/54/70/39/557547039.db2.gz PFOBDCCYEQVQAK-UHFFFAOYSA-N 0 0 440.862 4.997 50 0 IJAARN CCc1cccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(C(C)C)cc4)nn32)c1 ZINC000045925622 557550125 /nfs/dbraw/zinc/55/01/25/557550125.db2.gz KYZGPYLQHYQYBL-UHFFFAOYSA-N 0 0 447.564 4.501 50 0 IJAARN CCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc(OCC)c1OCC ZINC000045941251 557550563 /nfs/dbraw/zinc/55/05/63/557550563.db2.gz VOVYWVUDAXVBGV-UHFFFAOYSA-N 0 0 443.931 4.652 50 0 IJAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Br)c1 ZINC000045941274 557550842 /nfs/dbraw/zinc/55/08/42/557550842.db2.gz QSWVWOJUVMRHLW-UHFFFAOYSA-N 0 0 435.119 4.958 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946466 557691747 /nfs/dbraw/zinc/69/17/47/557691747.db2.gz XCUZCHZYRSYAMY-LBPRGKRZSA-N 0 0 433.254 4.678 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225508920 557732200 /nfs/dbraw/zinc/73/22/00/557732200.db2.gz ZYWNOOSSVAHFIT-VWLOTQADSA-N 0 0 437.572 4.898 50 0 IJAARN CN(C)c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000225849457 557785048 /nfs/dbraw/zinc/78/50/48/557785048.db2.gz BFCNHQPHAZFAOQ-QHCPKHFHSA-N 0 0 439.968 4.946 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000001502915 557805660 /nfs/dbraw/zinc/80/56/60/557805660.db2.gz YKEQLGONZIEJER-UHFFFAOYSA-N 0 0 433.508 4.783 50 0 IJAARN Cc1cc(-n2c(C)cc(-c3csc([C@H]4COCCN4C(=O)OC(C)(C)C)n3)c2C)no1 ZINC000328597086 557805873 /nfs/dbraw/zinc/80/58/73/557805873.db2.gz DIKXHHVFOWJHGY-GOSISDBHSA-N 0 0 444.557 4.822 50 0 IJAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226815940 557809388 /nfs/dbraw/zinc/80/93/88/557809388.db2.gz GIVHQZBGYVLNFQ-YTFSRNRJSA-N 0 0 448.906 4.790 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)c(Cl)c3n2)cc1 ZINC000000848571 557829540 /nfs/dbraw/zinc/82/95/40/557829540.db2.gz YOUGWCJBPJALRB-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccccc2F)cc1 ZINC000000857938 557831537 /nfs/dbraw/zinc/83/15/37/557831537.db2.gz IKOWJSFLFTUWJU-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@@H](O)c3ccccc3)CC(C)(C)C)cc2)C[C@@H](C)O1 ZINC000229413722 557832257 /nfs/dbraw/zinc/83/22/57/557832257.db2.gz XEMRTSPOVFHAJK-YOSAUDMPSA-N 0 0 439.600 4.914 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000229811785 557833295 /nfs/dbraw/zinc/83/32/95/557833295.db2.gz JLEBFQJWRSAQSZ-LYHRCORUSA-N 0 0 449.551 4.574 50 0 IJAARN C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)C[C@H](OC(=O)C(C)=C(C)C)[C@H]21 ZINC000229955654 557834219 /nfs/dbraw/zinc/83/42/19/557834219.db2.gz AVECJVSAHPKONZ-GOVQVVMBSA-N 0 0 442.552 4.751 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3N2)cc1 ZINC000000866105 557839498 /nfs/dbraw/zinc/83/94/98/557839498.db2.gz XKZBOHYKZZVXLD-DNVCBOLYSA-N 0 0 446.429 4.818 50 0 IJAARN CC[C@@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)N(C)C ZINC000239667833 557845103 /nfs/dbraw/zinc/84/51/03/557845103.db2.gz BRROHCAMCVLOSP-ZFWWWQNUSA-N 0 0 444.454 4.595 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC ZINC000000873949 557848009 /nfs/dbraw/zinc/84/80/09/557848009.db2.gz UGTJVIJRGSLMPS-UHFFFAOYSA-N 0 0 427.549 4.651 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1ccccc1Cl ZINC000000877902 557848703 /nfs/dbraw/zinc/84/87/03/557848703.db2.gz ZHCMLMMMHDUQAK-UHFFFAOYSA-N 0 0 435.940 4.773 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000000890687 557859095 /nfs/dbraw/zinc/85/90/95/557859095.db2.gz QFTCLRJYFIWMHV-ZDUSSCGKSA-N 0 0 425.476 4.664 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1 ZINC000000950563 562919732 /nfs/dbraw/zinc/91/97/32/562919732.db2.gz CMZAKTONFMCKBX-OAQYLSRUSA-N 0 0 442.910 4.921 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OC ZINC000002402264 562927396 /nfs/dbraw/zinc/92/73/96/562927396.db2.gz MWTJCNBSDYFWJA-QHCPKHFHSA-N 0 0 442.471 4.572 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000002651698 562929283 /nfs/dbraw/zinc/92/92/83/562929283.db2.gz DLSWGRFWMGCIBS-UHFFFAOYSA-N 0 0 443.290 4.954 50 0 IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000003005745 562931515 /nfs/dbraw/zinc/93/15/15/562931515.db2.gz BEENWLQVSNLXHM-QHCPKHFHSA-N 0 0 433.504 4.531 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc32)C1 ZINC000003007995 562931608 /nfs/dbraw/zinc/93/16/08/562931608.db2.gz VBZOXRREJFYUDY-LJQANCHMSA-N 0 0 432.520 4.716 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F ZINC000003025132 562931810 /nfs/dbraw/zinc/93/18/10/562931810.db2.gz KYNUGEJRIHHTSI-UHFFFAOYSA-N 0 0 446.544 4.564 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3sc(=S)n(-c4ccccc4C)c3[nH]c2=S)c1 ZINC000003027154 562931826 /nfs/dbraw/zinc/93/18/26/562931826.db2.gz VLWAESOYNZZPNU-UHFFFAOYSA-N 0 0 443.575 4.956 50 0 IJAARN Cc1nc2c(C(=O)NCCc3ccccc3)cnn2c(C)c1Cc1c(F)cccc1Cl ZINC000003045365 562932191 /nfs/dbraw/zinc/93/21/91/562932191.db2.gz OLHPEOFHKVXQEO-UHFFFAOYSA-N 0 0 436.918 4.702 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1ccc(C)c(C)c1 ZINC000003047999 562932208 /nfs/dbraw/zinc/93/22/08/562932208.db2.gz CEPFJRAJOVAZEK-UHFFFAOYSA-N 0 0 426.538 4.785 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)c1 ZINC000003051353 562932251 /nfs/dbraw/zinc/93/22/51/562932251.db2.gz LWEHIEYTTUIGFE-UHFFFAOYSA-N 0 0 431.923 4.780 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000003206105 562932791 /nfs/dbraw/zinc/93/27/91/562932791.db2.gz OKPIGMHBCJWSKX-UHFFFAOYSA-N 0 0 439.518 4.700 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)n1 ZINC000003331673 562934317 /nfs/dbraw/zinc/93/43/17/562934317.db2.gz HQQVFHDAJIZVCF-UHFFFAOYSA-N 0 0 439.515 4.552 50 0 IJAARN Cc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 ZINC000003334567 562934379 /nfs/dbraw/zinc/93/43/79/562934379.db2.gz IAVLUUBTSPNXOI-VWLOTQADSA-N 0 0 441.531 4.630 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1C ZINC000003372435 562935004 /nfs/dbraw/zinc/93/50/04/562935004.db2.gz QFYDDROSHRTDOX-UHFFFAOYSA-N 0 0 435.549 4.841 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000003442886 562935888 /nfs/dbraw/zinc/93/58/88/562935888.db2.gz RTXIYLGGGGGVEB-UHFFFAOYSA-N 0 0 437.927 4.525 50 0 IJAARN Cc1ccc(CNC(=O)CCSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000008587614 562950326 /nfs/dbraw/zinc/95/03/26/562950326.db2.gz DIWOQUAOMAYZON-UHFFFAOYSA-N 0 0 430.577 4.911 50 0 IJAARN Cc1cc(NC(=O)Nc2nnc(N(C)Cc3ccccc3)s2)ccc1Br ZINC000008587581 562950343 /nfs/dbraw/zinc/95/03/43/562950343.db2.gz QVUFGOXKGNPBSC-UHFFFAOYSA-N 0 0 432.347 4.889 50 0 IJAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008589006 562951041 /nfs/dbraw/zinc/95/10/41/562951041.db2.gz CIJLJLOYGCLIJY-UHFFFAOYSA-N 0 0 429.423 4.851 50 0 IJAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000008589214 562951053 /nfs/dbraw/zinc/95/10/53/562951053.db2.gz JLIBFMCEHHTDRB-UHFFFAOYSA-N 0 0 446.890 4.668 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008590112 562951473 /nfs/dbraw/zinc/95/14/73/562951473.db2.gz BAUATRFJBPQMDH-GOSISDBHSA-N 0 0 431.941 4.533 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000008590400 562951632 /nfs/dbraw/zinc/95/16/32/562951632.db2.gz YDMJLPWPVHBKEX-QFIPXVFZSA-N 0 0 430.435 4.784 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000008590398 562951649 /nfs/dbraw/zinc/95/16/49/562951649.db2.gz YDMJLPWPVHBKEX-JOCHJYFZSA-N 0 0 430.435 4.784 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)C2)cc1 ZINC000008591163 562951924 /nfs/dbraw/zinc/95/19/24/562951924.db2.gz KRHNLJDIXJHREF-NRFANRHFSA-N 0 0 445.592 4.607 50 0 IJAARN Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)N[C@H](C)c3ccccc3)nn2c1C ZINC000008591728 562952154 /nfs/dbraw/zinc/95/21/54/562952154.db2.gz JEEDNOQHEAKDFB-QGZVFWFLSA-N 0 0 445.592 4.610 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(C)cc1Cl)nc2C ZINC000008593279 562952630 /nfs/dbraw/zinc/95/26/30/562952630.db2.gz WMMQGQMZFDGVAM-UHFFFAOYSA-N 0 0 449.942 4.580 50 0 IJAARN CC1CCC(NC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000008597307 562953952 /nfs/dbraw/zinc/95/39/52/562953952.db2.gz XJWIGLRSHWSPIJ-UHFFFAOYSA-N 0 0 429.460 4.581 50 0 IJAARN Cc1cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c(C)c1 ZINC000008598952 562954513 /nfs/dbraw/zinc/95/45/13/562954513.db2.gz GJNXWZJCYZIBQI-UHFFFAOYSA-N 0 0 443.594 4.586 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)c3nsc4ccccc43)cc2)cc1 ZINC000008599343 562954738 /nfs/dbraw/zinc/95/47/38/562954738.db2.gz AQOPWJJMPWSWNN-UHFFFAOYSA-N 0 0 431.517 4.877 50 0 aggregator IJAARN CCOc1cc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc(OCC)c1OCC ZINC000008599725 562954858 /nfs/dbraw/zinc/95/48/58/562954858.db2.gz MHGXSLOVBVTSLX-UHFFFAOYSA-N 0 0 446.507 4.845 50 0 IJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(Br)cc3)nn2)s1 ZINC000008601186 562955242 /nfs/dbraw/zinc/95/52/42/562955242.db2.gz RQROEXNZHCGOKL-UHFFFAOYSA-N 0 0 435.372 4.710 50 0 IJAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3cc(C)c(C)cc3C)s2)cc1 ZINC000008601223 562955252 /nfs/dbraw/zinc/95/52/52/562955252.db2.gz QMSSPFXBZRXLGO-UHFFFAOYSA-N 0 0 430.595 4.573 50 0 IJAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccc(F)cc32)cc1 ZINC000008605913 562956876 /nfs/dbraw/zinc/95/68/76/562956876.db2.gz BMICLZQGQQCTIN-UHFFFAOYSA-N 0 0 432.499 4.848 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C(C)C)cc1 ZINC000008610947 562958286 /nfs/dbraw/zinc/95/82/86/562958286.db2.gz WEMZDYTZIBPGKP-UHFFFAOYSA-N 0 0 439.515 4.698 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000008611282 562958508 /nfs/dbraw/zinc/95/85/08/562958508.db2.gz NPWPPNSJELPFFC-UHFFFAOYSA-N 0 0 433.552 4.749 50 0 IJAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000008612342 562959190 /nfs/dbraw/zinc/95/91/90/562959190.db2.gz YNEQGXWLMHMVCX-HNNXBMFYSA-N 0 0 444.329 4.704 50 0 IJAARN COc1ccc(CNC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1OC ZINC000008612983 562959310 /nfs/dbraw/zinc/95/93/10/562959310.db2.gz ITCSVHMSMHMAHK-UHFFFAOYSA-N 0 0 449.503 4.649 50 0 biogenic IJAARN C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008613991 562959508 /nfs/dbraw/zinc/95/95/08/562959508.db2.gz PBPOZYKQJKPYNL-MRXNPFEDSA-N 0 0 440.952 4.582 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 ZINC000008614148 562959571 /nfs/dbraw/zinc/95/95/71/562959571.db2.gz IFTUFSVBNDEJKJ-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN CCOC(=O)CSc1cc(C[S@@](=O)c2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000008666741 562960592 /nfs/dbraw/zinc/96/05/92/562960592.db2.gz VKQGQMHWPHTTBP-LJAQVGFWSA-N 0 0 446.981 4.760 50 0 IJAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000008683896 562962090 /nfs/dbraw/zinc/96/20/90/562962090.db2.gz UEPXTNPQLNINOS-WAPJZHGLSA-N 0 0 425.897 4.653 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)n1C[C@H]1CCCO1 ZINC000008686110 562962702 /nfs/dbraw/zinc/96/27/02/562962702.db2.gz OCGOOLOLOULYMW-GOSISDBHSA-N 0 0 444.988 4.708 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008691504 562963456 /nfs/dbraw/zinc/96/34/56/562963456.db2.gz HTKVFMQOGZXWSV-HAHDFKILSA-N 0 0 429.545 4.668 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)nnn1-c1cccc(Cl)c1C ZINC000008831160 562964958 /nfs/dbraw/zinc/96/49/58/562964958.db2.gz UNEPUQIYBHXRCZ-UHFFFAOYSA-N 0 0 438.944 4.925 50 0 aggregator IJAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000008881494 562965779 /nfs/dbraw/zinc/96/57/79/562965779.db2.gz GDBMEBOOUXEDAX-UHFFFAOYSA-N 0 0 435.229 4.532 50 0 IJAARN O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCC3)nc12)c1cccc(Cl)c1 ZINC000009116949 562967317 /nfs/dbraw/zinc/96/73/17/562967317.db2.gz CLVDURMOTVQKST-UHFFFAOYSA-N 0 0 447.973 4.570 50 0 IJAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000009465982 562971624 /nfs/dbraw/zinc/97/16/24/562971624.db2.gz IJNQLPFYDYWLQX-KBMIEXCESA-N 0 0 426.291 4.782 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000010135680 562978455 /nfs/dbraw/zinc/97/84/55/562978455.db2.gz VIUWKPJSWCXPNN-UHFFFAOYSA-N 0 0 438.911 4.638 50 0 IJAARN C[C@@H]1CN(Cc2ccc3c(c2)CN(Cc2nc(-c4ccccc4)cs2)CCO3)C[C@H](C)O1 ZINC000012023412 562980273 /nfs/dbraw/zinc/98/02/73/562980273.db2.gz PKVGPEUZSHBPJM-BGYRXZFFSA-N 0 0 449.620 4.814 50 0 IJAARN Cc1noc(C)c1CC(=O)NC[C@@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000012079656 562980654 /nfs/dbraw/zinc/98/06/54/562980654.db2.gz ZHBJFLHKBGIXOK-IBGZPJMESA-N 0 0 446.425 4.519 50 0 IJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012981244 562983777 /nfs/dbraw/zinc/98/37/77/562983777.db2.gz OXWQUZBVGYJRAR-UHFFFAOYSA-N 0 0 429.904 4.736 50 0 IJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)C1 ZINC000013139454 562985187 /nfs/dbraw/zinc/98/51/87/562985187.db2.gz APFVLOSQWQYRQH-BETUJISGSA-N 0 0 442.915 4.537 50 0 IJAARN O=C(Cn1c2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000023508294 563027176 /nfs/dbraw/zinc/02/71/76/563027176.db2.gz OKFKHUSURYSPGT-FMIVXFBMSA-N 0 0 436.559 4.755 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000031349032 563083219 /nfs/dbraw/zinc/08/32/19/563083219.db2.gz INNPWMHUTVSZCW-UHFFFAOYSA-N 0 0 447.482 4.566 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)CC)C[C@@H]1CCCO1 ZINC000105000906 568624212 /nfs/dbraw/zinc/62/42/12/568624212.db2.gz HTBIWVINXKINFT-UPVQGACJSA-N 0 0 449.595 4.979 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000019642729 568625159 /nfs/dbraw/zinc/62/51/59/568625159.db2.gz BHKYXJZGXBVITE-ZBINZKHDSA-N 0 0 445.283 4.834 50 0 IJAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000018965103 568629750 /nfs/dbraw/zinc/62/97/50/568629750.db2.gz QGCGISGAJNXCCU-HNNXBMFYSA-N 0 0 435.549 4.689 50 0 IJAARN CCNC(=O)c1cccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)c1 ZINC000015024241 568632294 /nfs/dbraw/zinc/63/22/94/568632294.db2.gz ZYVJUOJLYJPBSU-UHFFFAOYSA-N 0 0 442.494 4.989 50 0 IJAARN COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC(=O)OC(C)C)cc1 ZINC000000900463 568635942 /nfs/dbraw/zinc/63/59/42/568635942.db2.gz NQNKEXDZHWSMDZ-UHFFFAOYSA-N 0 0 446.960 4.585 50 0 IJAARN Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(N(C)C)cc4)c3N2)cc1 ZINC000000900598 568636122 /nfs/dbraw/zinc/63/61/22/568636122.db2.gz VCAKXPVLWFNIEB-UXHICEINSA-N 0 0 425.483 4.873 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)Nc1ccccc1Cl ZINC000000915244 568637168 /nfs/dbraw/zinc/63/71/68/568637168.db2.gz RNMIAJBNSSRZSU-UHFFFAOYSA-N 0 0 449.967 4.967 50 0 IJAARN Cc1nc(C(=O)Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)nn1-c1cccc(Cl)c1 ZINC000252489882 568638863 /nfs/dbraw/zinc/63/88/63/568638863.db2.gz KEDBHAZFENODDM-UHFFFAOYSA-N 0 0 448.788 4.607 50 0 IJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)n2)o1 ZINC000025141986 568639489 /nfs/dbraw/zinc/63/94/89/568639489.db2.gz LFPKCUKXKYSNAD-JOCHJYFZSA-N 0 0 439.519 4.916 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2ccc(OC)cc2)n1 ZINC000025143327 568639687 /nfs/dbraw/zinc/63/96/87/568639687.db2.gz ORZABWSCWINPJB-UHFFFAOYSA-N 0 0 441.487 4.977 50 0 IJAARN COc1cc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc(OC)c1OC(C)=O ZINC000025144120 568640665 /nfs/dbraw/zinc/64/06/65/568640665.db2.gz VXYOEHFLNPXDTJ-UHFFFAOYSA-N 0 0 433.416 4.833 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000086057100 568642541 /nfs/dbraw/zinc/64/25/41/568642541.db2.gz VWIAJDFLWKBNOK-IBGZPJMESA-N 0 0 435.549 4.634 50 0 IJAARN CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)c1 ZINC000086057600 568642669 /nfs/dbraw/zinc/64/26/69/568642669.db2.gz XHSNGCHBGJIGJK-QGZVFWFLSA-N 0 0 441.940 4.588 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1OC(F)F ZINC000000945360 568643235 /nfs/dbraw/zinc/64/32/35/568643235.db2.gz PFWBTLNGEAKLOZ-UHFFFAOYSA-N 0 0 438.455 4.962 50 0 IJAARN COc1cccc(NC2=C(Sc3ccccc3)C(=O)N(CCc3ccccc3)C2=O)c1 ZINC000000958655 568646321 /nfs/dbraw/zinc/64/63/21/568646321.db2.gz PLNPZSIUOFWKMG-UHFFFAOYSA-N 0 0 430.529 4.723 50 0 IJAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000000953990 568646928 /nfs/dbraw/zinc/64/69/28/568646928.db2.gz HKUHKRJFLLZKRF-AUSIDOKSSA-N 0 0 439.968 4.946 50 0 IJAARN O=C(N[C@@H]1CCc2ccccc21)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025162566 568646994 /nfs/dbraw/zinc/64/69/94/568646994.db2.gz NENZALXHWZHJTG-LJQANCHMSA-N 0 0 437.528 4.961 50 0 IJAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000000953992 568647038 /nfs/dbraw/zinc/64/70/38/568647038.db2.gz HKUHKRJFLLZKRF-WMZHIEFXSA-N 0 0 439.968 4.946 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 ZINC000001006530 568650526 /nfs/dbraw/zinc/65/05/26/568650526.db2.gz SBJLEMNAIJLWMP-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001011854 568652021 /nfs/dbraw/zinc/65/20/21/568652021.db2.gz GYOIZNGUNQHUGV-WQRHYEAKSA-N 0 0 447.896 4.531 50 0 IJAARN O=C(OCc1nc(-c2ccsc2)no1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000025309634 568652870 /nfs/dbraw/zinc/65/28/70/568652870.db2.gz MFUOAZRPVZAIHU-UHFFFAOYSA-N 0 0 447.516 4.547 50 0 IJAARN COc1ccc(CCN2C(=O)[C@H](Oc3ccccc3C)[C@H]2c2cccc(F)c2)cc1OC ZINC000001080587 568657276 /nfs/dbraw/zinc/65/72/76/568657276.db2.gz MQFIOSFTESMZDR-JWQCQUIFSA-N 0 0 435.495 4.725 50 0 IJAARN Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)cnn1-c1ccc(Br)cc1 ZINC000025479267 568659743 /nfs/dbraw/zinc/65/97/43/568659743.db2.gz BEWCWJUCEUFQDM-UHFFFAOYSA-N 0 0 441.354 4.825 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(Cl)cc1Br ZINC000001102456 568660210 /nfs/dbraw/zinc/66/02/10/568660210.db2.gz OCAVTIUDXXDUPY-UHFFFAOYSA-N 0 0 432.723 4.585 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000256080228 568663845 /nfs/dbraw/zinc/66/38/45/568663845.db2.gz QOLRLLFJMZLYQJ-BWSQWDIISA-N 0 0 430.629 4.973 50 0 IJAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 ZINC000001152455 568664344 /nfs/dbraw/zinc/66/43/44/568664344.db2.gz YPXHYBFTSBHEBP-UHFFFAOYSA-N 0 0 428.897 4.596 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357878 568731615 /nfs/dbraw/zinc/73/16/15/568731615.db2.gz QOLRLLFJMZLYQJ-BWMJPUMDSA-N 0 0 430.629 4.973 50 0 IJAARN COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000257358787 568731623 /nfs/dbraw/zinc/73/16/23/568731623.db2.gz WKTMPEKHRSIDAY-NXZRZXKHSA-N 0 0 434.617 4.747 50 0 IJAARN COc1cc(CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000006016618 568740275 /nfs/dbraw/zinc/74/02/75/568740275.db2.gz HBDBRVGQWMESST-UHFFFAOYSA-N 0 0 431.492 4.827 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000001965138 568742411 /nfs/dbraw/zinc/74/24/11/568742411.db2.gz BZTMTPJOIDNIFE-UHFFFAOYSA-N 0 0 442.544 4.914 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000003211071 568742973 /nfs/dbraw/zinc/74/29/73/568742973.db2.gz CNOBSJBKSMSAEA-UHFFFAOYSA-N 0 0 443.594 4.710 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(OC)c1OC)CC2 ZINC000003230479 568743290 /nfs/dbraw/zinc/74/32/90/568743290.db2.gz JSVLBEMJLUPINY-QFIPXVFZSA-N 0 0 439.533 4.570 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCC2)c1 ZINC000003296863 568745334 /nfs/dbraw/zinc/74/53/34/568745334.db2.gz AHKNKFBLCAQRPV-UHFFFAOYSA-N 0 0 426.517 4.939 50 0 IJAARN CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000003302603 568745712 /nfs/dbraw/zinc/74/57/12/568745712.db2.gz AHUCLGWAMXNJOG-UHFFFAOYSA-N 0 0 436.455 4.838 50 0 IJAARN CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000044087656 568747715 /nfs/dbraw/zinc/74/77/15/568747715.db2.gz VUDBXJLSMCLCJF-UHFFFAOYSA-N 0 0 436.762 4.793 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003372493 568748162 /nfs/dbraw/zinc/74/81/62/568748162.db2.gz TUHMIPGSDVRLFU-UHFFFAOYSA-N 0 0 439.924 4.730 50 0 IJAARN C[C@H]1CCc2c(sc3[nH]c(COC(=O)C4c5ccccc5-c5ccccc54)nc(=O)c23)C1 ZINC000003397814 568748502 /nfs/dbraw/zinc/74/85/02/568748502.db2.gz IBZZHCVYRJAXEL-AWEZNQCLSA-N 0 0 442.540 4.965 50 0 IJAARN CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3OC)c3ccccc23)NC1=S ZINC000003641857 568752367 /nfs/dbraw/zinc/75/23/67/568752367.db2.gz IKZISWJNRROTJC-CYVLTUHYSA-N 0 0 435.549 4.608 50 0 IJAARN COc1ccc([C@@H]2Nc3c(cnn3-c3ccccc3)C(=O)N2)cc1COc1ccccc1C ZINC000003642176 568752390 /nfs/dbraw/zinc/75/23/90/568752390.db2.gz TVAXYSRKKORQJW-XMMPIXPASA-N 0 0 440.503 4.622 50 0 IJAARN CCOc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003672728 568754275 /nfs/dbraw/zinc/75/42/75/568754275.db2.gz MPXRDSFQWVZBOE-VWLOTQADSA-N 0 0 429.476 4.742 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc2c1OCO2 ZINC000263584843 568758701 /nfs/dbraw/zinc/75/87/01/568758701.db2.gz BNJBRPRFULKLTR-SFHVURJKSA-N 0 0 426.472 4.901 50 0 biogenic IJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000015356376 568759668 /nfs/dbraw/zinc/75/96/68/568759668.db2.gz FPDOUWVNAJUJFP-QGZVFWFLSA-N 0 0 430.504 4.570 50 0 IJAARN O=C(NCc1ccccc1Cn1ccnc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000025665908 568774507 /nfs/dbraw/zinc/77/45/07/568774507.db2.gz UIXKDRYGPGZXLC-UHFFFAOYSA-N 0 0 439.544 4.776 50 0 IJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000032074920 568778037 /nfs/dbraw/zinc/77/80/37/568778037.db2.gz ZZQQJHCIDJQOBM-INIZCTEOSA-N 0 0 445.306 4.696 50 0 IJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263619531 568778203 /nfs/dbraw/zinc/77/82/03/568778203.db2.gz ZCPLVGVOHVARMC-LJQANCHMSA-N 0 0 442.397 4.899 50 0 IJAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 ZINC000025727757 568778635 /nfs/dbraw/zinc/77/86/35/568778635.db2.gz MALPGJOYJHWJDJ-UHFFFAOYSA-N 0 0 449.894 4.569 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1O ZINC000001320629 568779870 /nfs/dbraw/zinc/77/98/70/568779870.db2.gz KLCQCQHUHBDTSJ-HSZRJFAPSA-N 0 0 442.298 4.706 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc3c(c2)onc3-c2cc(F)c(F)c(F)c2)cc1 ZINC000032103423 568780864 /nfs/dbraw/zinc/78/08/64/568780864.db2.gz RTMZYZAYVDEEFS-UHFFFAOYSA-N 0 0 435.379 4.688 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000004132960 568781292 /nfs/dbraw/zinc/78/12/92/568781292.db2.gz VUQJVEVIOSKOOT-YQORSWRPSA-N 0 0 448.291 4.729 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941938 568783618 /nfs/dbraw/zinc/78/36/18/568783618.db2.gz GYNWKJSIVCRFJF-XMMPIXPASA-N 0 0 443.499 4.843 50 0 IJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)c(Cl)c1Cl ZINC000001382668 568784082 /nfs/dbraw/zinc/78/40/82/568784082.db2.gz LVRJIVMMPHNMNU-UHFFFAOYSA-N 0 0 437.142 4.802 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1cc(Cl)ccc1Cl ZINC000001393963 568785574 /nfs/dbraw/zinc/78/55/74/568785574.db2.gz JZQXSWVXDXVZPL-UHFFFAOYSA-N 0 0 436.316 4.794 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000001400883 568786354 /nfs/dbraw/zinc/78/63/54/568786354.db2.gz FNQANIHASIKKKC-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1CO ZINC000004696762 568787074 /nfs/dbraw/zinc/78/70/74/568787074.db2.gz OMMOUKYGZUMZAN-UHFFFAOYSA-N 0 0 428.525 4.674 50 0 IJAARN CC[C@@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1cccc(C(C)=O)c1 ZINC000002746305 568788879 /nfs/dbraw/zinc/78/88/79/568788879.db2.gz LZRSWSZLTWOQHU-HSZRJFAPSA-N 0 0 430.504 4.890 50 0 IJAARN COc1cc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(OC)cc1Cl ZINC000016648662 568791222 /nfs/dbraw/zinc/79/12/22/568791222.db2.gz QKRDZFOEYUEUOW-UHFFFAOYSA-N 0 0 437.323 4.502 50 0 IJAARN C[C@@H](OC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)C(=O)Nc1ncccn1 ZINC000084098678 568792804 /nfs/dbraw/zinc/79/28/04/568792804.db2.gz KEILKCQVJLONSC-SSDOTTSWSA-N 0 0 430.700 4.836 50 0 IJAARN COC(=O)c1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001420973 568792974 /nfs/dbraw/zinc/79/29/74/568792974.db2.gz AUDKSZMCXFYEIG-YADHBBJMSA-N 0 0 439.870 4.797 50 0 IJAARN CCOC(=O)C1=C(CSc2ccc3ccccc3n2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422887 568793400 /nfs/dbraw/zinc/79/34/00/568793400.db2.gz WLSUGFCSBGLPPY-HSZRJFAPSA-N 0 0 447.560 4.815 50 0 IJAARN Cc1nn2c(COc3ccc(NC(=O)c4ccc(F)cc4)cc3)nnc2c2ccccc12 ZINC000001431636 568794789 /nfs/dbraw/zinc/79/47/89/568794789.db2.gz LZUCKSUQSPWRJA-UHFFFAOYSA-N 0 0 427.439 4.556 50 0 IJAARN Cc1ccc(OCc2nc(CNc3cc(-c4cccs4)nn3CCO)cs2)cc1 ZINC000084157258 568795449 /nfs/dbraw/zinc/79/54/49/568795449.db2.gz ZZLROIPUYHYIEY-UHFFFAOYSA-N 0 0 426.567 4.560 50 0 IJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3c2C1 ZINC000015536290 568797167 /nfs/dbraw/zinc/79/71/67/568797167.db2.gz NEOZPMOTSQEXGL-OAHLLOKOSA-N 0 0 442.485 4.669 50 0 IJAARN O=C(COc1ccc(C2SCCCS2)cc1)OCc1cncc(Br)c1 ZINC000084393687 568797657 /nfs/dbraw/zinc/79/76/57/568797657.db2.gz FFSKFSMXVSNHKL-UHFFFAOYSA-N 0 0 440.384 4.835 50 0 IJAARN O=c1nc(SCC[S@](=O)c2ccccc2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000084558682 568798852 /nfs/dbraw/zinc/79/88/52/568798852.db2.gz WAYLOTLLJNHBQG-MUUNZHRXSA-N 0 0 430.551 4.691 50 0 IJAARN O=C(c1ccc(COc2ccccc2Br)cc1)N1CC(=O)Nc2ccccc21 ZINC000084583001 568799031 /nfs/dbraw/zinc/79/90/31/568799031.db2.gz RTAYZVFZCPUUQP-UHFFFAOYSA-N 0 0 437.293 4.627 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)cn1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000084598249 568799113 /nfs/dbraw/zinc/79/91/13/568799113.db2.gz LQHCOQZGMABRCH-UHFFFAOYSA-N 0 0 442.563 4.716 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000084647539 568799627 /nfs/dbraw/zinc/79/96/27/568799627.db2.gz VVGAYPFVRLSYDI-OXJNMPFZSA-N 0 0 428.529 4.537 50 0 IJAARN CCS[C@H](C)c1noc(CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000084811758 568801723 /nfs/dbraw/zinc/80/17/23/568801723.db2.gz NLHOKQWPHVUSGO-QGZVFWFLSA-N 0 0 440.569 4.533 50 0 IJAARN COc1cc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc(OC)c1OC ZINC000015674447 568803299 /nfs/dbraw/zinc/80/32/99/568803299.db2.gz BZJKFYPLIMHNSI-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN Cc1c(C(=O)N(Cc2ccco2)C2CCCCC2)sc2nc3n(c(=O)c12)CCCC3 ZINC000015675330 568803755 /nfs/dbraw/zinc/80/37/55/568803755.db2.gz MEJZZIRVDBZVHT-UHFFFAOYSA-N 0 0 425.554 4.671 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(Cc2ccccn2)C3=O)o1 ZINC000015675811 568803910 /nfs/dbraw/zinc/80/39/10/568803910.db2.gz BUXKZDCAFRXCPX-AREMUKBSSA-N 0 0 448.567 4.582 50 0 IJAARN C[C@H]1CSc2ccc(S(=O)(=O)N(Cc3cccs3)C3CCCC3)cc2NC1=O ZINC000015731129 568814650 /nfs/dbraw/zinc/81/46/50/568814650.db2.gz CBVGIGWPAOYVEQ-AWEZNQCLSA-N 0 0 436.624 4.562 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(OC)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733826 568816112 /nfs/dbraw/zinc/81/61/12/568816112.db2.gz AWYYSZJBPMPJDC-UHFFFAOYSA-N 0 0 426.538 4.695 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2c(OCc3ccccc3)ccc3ccccc32)NC(=O)N1 ZINC000001467300 568820362 /nfs/dbraw/zinc/82/03/62/568820362.db2.gz MZMNWWVJFDSNNT-DEOSSOPVSA-N 0 0 430.504 4.998 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)c(C)c1 ZINC000015770993 568822531 /nfs/dbraw/zinc/82/25/31/568822531.db2.gz WOMNSRCDQZMAIU-UHFFFAOYSA-N 0 0 439.559 4.910 50 0 IJAARN Cc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777027 568823634 /nfs/dbraw/zinc/82/36/34/568823634.db2.gz PKIZGXVRZNSCKN-UHFFFAOYSA-N 0 0 426.900 4.523 50 0 IJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCc3ccc(Cl)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777119 568823805 /nfs/dbraw/zinc/82/38/05/568823805.db2.gz CFGJRBQGDYMORR-UHFFFAOYSA-N 0 0 426.944 4.846 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccccc2OC)c1C ZINC000085711142 568835020 /nfs/dbraw/zinc/83/50/20/568835020.db2.gz LKBKSTSTGZYPQB-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccccc3)c3ccc4c(c3)OCO4)c21 ZINC000085875649 568838147 /nfs/dbraw/zinc/83/81/47/568838147.db2.gz VMTWTAVPSVIPBG-IBGZPJMESA-N 0 0 428.488 4.744 50 0 biogenic IJAARN CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(F)c(Cl)c3)oc2c1 ZINC000001516012 568839576 /nfs/dbraw/zinc/83/95/76/568839576.db2.gz TZPUHTPJBKCNGX-ROMGYVFFSA-N 0 0 429.879 4.580 50 0 IJAARN CCN(C(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4)c1cccc(C)c1 ZINC000015829673 568841514 /nfs/dbraw/zinc/84/15/14/568841514.db2.gz NOLNYASTTHLRNE-UHFFFAOYSA-N 0 0 437.594 4.671 50 0 IJAARN Cc1cccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000015834185 568842556 /nfs/dbraw/zinc/84/25/56/568842556.db2.gz XMXBSNXYHWPBDH-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN O=c1[nH]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nc2c1CCCC2 ZINC000006143468 568845695 /nfs/dbraw/zinc/84/56/95/568845695.db2.gz XQQCXYYNGFNALC-UHFFFAOYSA-N 0 0 435.936 4.962 50 0 IJAARN Cc1cc(C)c2[nH]c(CSc3nnc(COc4cccc(C)c4C)n3C)cc(=O)c2c1 ZINC000015865327 568850145 /nfs/dbraw/zinc/85/01/45/568850145.db2.gz LDXOOXKQQZXSRO-UHFFFAOYSA-N 0 0 434.565 4.762 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000015865470 568850552 /nfs/dbraw/zinc/85/05/52/568850552.db2.gz YLEBVKKZRHINIQ-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN CC(C)CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000015869772 568851385 /nfs/dbraw/zinc/85/13/85/568851385.db2.gz NQXDIOOFEFUBEK-UHFFFAOYSA-N 0 0 433.552 4.899 50 0 IJAARN Cc1cc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)ccc1Br ZINC000015880964 568854483 /nfs/dbraw/zinc/85/44/83/568854483.db2.gz NFVKVSRIOFKVMA-UHFFFAOYSA-N 0 0 430.327 4.648 50 0 IJAARN CCOc1ccc(C(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000015882116 568856551 /nfs/dbraw/zinc/85/65/51/568856551.db2.gz LXZYORKAJXABIN-UHFFFAOYSA-N 0 0 440.956 4.791 50 0 IJAARN O=C(c1ccc(Cc2ccccc2)cc1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000015882420 568856572 /nfs/dbraw/zinc/85/65/72/568856572.db2.gz MJOXOIBVJBXXKS-UHFFFAOYSA-N 0 0 431.536 4.989 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cc(C)c3ccccc3n2)cc1 ZINC000015981956 568861842 /nfs/dbraw/zinc/86/18/42/568861842.db2.gz MAIOHQRTUYEYLU-UHFFFAOYSA-N 0 0 441.487 4.822 50 0 IJAARN O=C(CCCCc1nc2ccccc2s1)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012936102 568865072 /nfs/dbraw/zinc/86/50/72/568865072.db2.gz YWWGBUCDIXVOIW-UHFFFAOYSA-N 0 0 437.565 4.592 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000012940185 568868497 /nfs/dbraw/zinc/86/84/97/568868497.db2.gz HNEORLITIXZMKR-QGZVFWFLSA-N 0 0 436.817 4.932 50 0 IJAARN COc1ccc(CCN(C)C(=O)c2csc(COc3ccc(Cl)cc3)n2)cc1OC ZINC000012939444 568868618 /nfs/dbraw/zinc/86/86/18/568868618.db2.gz XSDVDKXJZXKUAD-UHFFFAOYSA-N 0 0 446.956 4.707 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccn2)cc1 ZINC000006181801 568869506 /nfs/dbraw/zinc/86/95/06/568869506.db2.gz ABSRXIWOBZINAQ-RUZDIDTESA-N 0 0 442.544 4.717 50 0 IJAARN C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000016053455 568869539 /nfs/dbraw/zinc/86/95/39/568869539.db2.gz HXVXLHVXWDMZHW-AWEZNQCLSA-N 0 0 429.394 4.867 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000012947242 568871317 /nfs/dbraw/zinc/87/13/17/568871317.db2.gz OOOUGVLXLAVZTQ-UHFFFAOYSA-N 0 0 433.335 4.542 50 0 IJAARN CSc1cccc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000009254926 568879809 /nfs/dbraw/zinc/87/98/09/568879809.db2.gz PVMAMHISTVXUJV-VAWYXSNFSA-N 0 0 439.512 4.545 50 0 IJAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000035478403 568882706 /nfs/dbraw/zinc/88/27/06/568882706.db2.gz VDDMSXVNKCOZAK-UHFFFAOYSA-N 0 0 448.876 4.835 50 0 IJAARN Cc1cc(C)n(CC2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000090560604 568887764 /nfs/dbraw/zinc/88/77/64/568887764.db2.gz GOWOSWVIZPBVFN-UHFFFAOYSA-N 0 0 428.886 4.523 50 0 IJAARN CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012972248 568888541 /nfs/dbraw/zinc/88/85/41/568888541.db2.gz BHNTYOQXVQUHAI-UHFFFAOYSA-N 0 0 428.598 4.693 50 0 IJAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607508 568889857 /nfs/dbraw/zinc/88/98/57/568889857.db2.gz XPTJVLHEWUZGRZ-UHFFFAOYSA-N 0 0 433.455 4.908 50 0 IJAARN CC(C)C(=O)N1CCC(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000012975504 568890163 /nfs/dbraw/zinc/89/01/63/568890163.db2.gz WYEKRZAYMNRPJM-UHFFFAOYSA-N 0 0 430.495 4.712 50 0 IJAARN CCOc1ccccc1C1=N/C(=C/c2cc(Br)c(OCC)c(OC)c2)C(=O)O1 ZINC000033014927 568895909 /nfs/dbraw/zinc/89/59/09/568895909.db2.gz BZSPQIVPSMFAIM-LFIBNONCSA-N 0 0 446.297 4.600 50 0 IJAARN CCOc1cc(/C=C/c2nc3ccccc3o2)cc(Br)c1OCC(=O)N(C)C ZINC000040161566 568896556 /nfs/dbraw/zinc/89/65/56/568896556.db2.gz BDLYZDBDTLXSQT-MDZDMXLPSA-N 0 0 445.313 4.626 50 0 IJAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C=Cc3cc(Br)ccc3F)c2)n1 ZINC000040122440 568896586 /nfs/dbraw/zinc/89/65/86/568896586.db2.gz KHTFVENYEMAQND-RMKNXTFCSA-N 0 0 442.288 4.553 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3c(F)cccc3F)C2=O)cc1 ZINC000103005186 568900760 /nfs/dbraw/zinc/90/07/60/568900760.db2.gz IWKGQMLJQOFPOH-XMHGGMMESA-N 0 0 448.425 4.782 50 0 IJAARN COc1ccc(NC(=O)c2nnc(CN3CC=C(c4c[nH]c5ccccc54)CC3)s2)cc1 ZINC000013022548 568902341 /nfs/dbraw/zinc/90/23/41/568902341.db2.gz RGUUTYGIZGLGFH-UHFFFAOYSA-N 0 0 445.548 4.570 50 0 IJAARN COc1cc(C(=O)Oc2c(=O)c3ccccc3oc2-c2ccccc2)cc(OC)c1OC ZINC000001788376 568907776 /nfs/dbraw/zinc/90/77/76/568907776.db2.gz DVZRCOILAPCLHQ-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 IJAARN Cc1sc2nc(CSc3ccccc3)nc(N3CCC4(CC3)OCCO4)c2c1C ZINC000026705043 568908077 /nfs/dbraw/zinc/90/80/77/568908077.db2.gz XSUKNJWLPUBXFB-UHFFFAOYSA-N 0 0 427.595 4.944 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000245242231 568913309 /nfs/dbraw/zinc/91/33/09/568913309.db2.gz MVXQDENMQVYYIK-WRALFONMSA-N 0 0 448.906 4.790 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000245310049 568914495 /nfs/dbraw/zinc/91/44/95/568914495.db2.gz GXKIREHZUOTFOE-WXFUMESZSA-N 0 0 446.478 4.666 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000245312553 568914871 /nfs/dbraw/zinc/91/48/71/568914871.db2.gz VVVMRLYSMZETSR-DNVJHFABSA-N 0 0 448.906 4.790 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCN(c3ccccc3)CC1)CCCC2 ZINC000054105752 568918603 /nfs/dbraw/zinc/91/86/03/568918603.db2.gz SABDIOHFHPBDQP-VWLOTQADSA-N 0 0 446.620 4.892 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1sc2ncccc2c1N ZINC000064370097 568920018 /nfs/dbraw/zinc/92/00/18/568920018.db2.gz MIJCSCVPGALMCO-UHFFFAOYSA-N 0 0 444.973 4.541 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000089365553 568921282 /nfs/dbraw/zinc/92/12/82/568921282.db2.gz RMADWURTQDKHAY-WIOPSUGQSA-N 0 0 431.536 4.811 50 0 IJAARN COc1ccc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)cc1 ZINC000000942769 568924620 /nfs/dbraw/zinc/92/46/20/568924620.db2.gz ALVHNVKLPJPZSH-UHFFFAOYSA-N 0 0 432.428 4.716 50 0 biogenic IJAARN COc1ccc(C(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc3nccnc3c2)cc1 ZINC000089438717 568924781 /nfs/dbraw/zinc/92/47/81/568924781.db2.gz YIVAGHIFOYCCMA-RUZDIDTESA-N 0 0 438.487 4.639 50 0 IJAARN COC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000016613632 568925719 /nfs/dbraw/zinc/92/57/19/568925719.db2.gz AVAHCQCONBPFCZ-NRFANRHFSA-N 0 0 435.549 4.544 50 0 IJAARN COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000008790208 568927181 /nfs/dbraw/zinc/92/71/81/568927181.db2.gz KOTIDKOUNQJTNR-UHFFFAOYSA-N 0 0 433.504 4.683 50 0 biogenic IJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC ZINC000064450226 568928678 /nfs/dbraw/zinc/92/86/78/568928678.db2.gz DEVLNTSOPZLCFX-GOSISDBHSA-N 0 0 433.508 4.514 50 0 IJAARN COc1c2c(cc3c1[C@@H](CC(=O)c1cccc(C=Cc4ccccn4)c1)N(C)CC3)OCO2 ZINC000020310967 568930740 /nfs/dbraw/zinc/93/07/40/568930740.db2.gz QFGJBGZVVRNWQO-DGSRBQDKSA-N 0 0 442.515 4.791 50 0 biogenic IJAARN Cc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)cc1Cl ZINC000064565914 568932628 /nfs/dbraw/zinc/93/26/28/568932628.db2.gz SCPSBUOCJJMKCN-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc(Cl)c6)CC5)n3n2)CCC4)cc1 ZINC000064592844 568935643 /nfs/dbraw/zinc/93/56/43/568935643.db2.gz JTWOIQQZLMPEGN-UHFFFAOYSA-N 0 0 444.970 4.568 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c2cnn(Cc3cccs3)c2n1 ZINC000089583237 568938592 /nfs/dbraw/zinc/93/85/92/568938592.db2.gz XBDRDNIGHQUOBA-UHFFFAOYSA-N 0 0 442.504 4.684 50 0 IJAARN CCCOc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656653 568942195 /nfs/dbraw/zinc/94/21/95/568942195.db2.gz WAOXVXLKXUWEPD-GOSISDBHSA-N 0 0 427.547 4.844 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 ZINC000064656923 568942351 /nfs/dbraw/zinc/94/23/51/568942351.db2.gz BQFKMXKIROQLOG-INIZCTEOSA-N 0 0 433.938 4.717 50 0 IJAARN Cc1ccc(F)cc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667556 568942948 /nfs/dbraw/zinc/94/29/48/568942948.db2.gz TZKFDUGXLRNDJZ-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)N2CCCCCC2)CC1 ZINC000064668021 568943017 /nfs/dbraw/zinc/94/30/17/568943017.db2.gz JPRQBLGTWSLFJA-UHFFFAOYSA-N 0 0 443.588 4.903 50 0 IJAARN O=C(CCc1c(-c2cccc(Cl)c2)nc2ccccn21)N1CCN(c2ccccc2)CC1 ZINC000064675792 568943783 /nfs/dbraw/zinc/94/37/83/568943783.db2.gz HKOLUIHQOFERIY-UHFFFAOYSA-N 0 0 444.966 4.936 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nc2c3cccnc3sc2c1=O ZINC000064699848 568944305 /nfs/dbraw/zinc/94/43/05/568944305.db2.gz RDLGANLPPZUZRL-UHFFFAOYSA-N 0 0 442.541 4.532 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2C)n1 ZINC000036065499 568945238 /nfs/dbraw/zinc/94/52/38/568945238.db2.gz PPFYBVNBVXHKRD-UHFFFAOYSA-N 0 0 431.458 4.954 50 0 IJAARN O=C(c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1)N1CCCC1 ZINC000036072431 568946089 /nfs/dbraw/zinc/94/60/89/568946089.db2.gz BLBXFGQJJUVLNV-UHFFFAOYSA-N 0 0 429.442 4.530 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C(F)(F)F)c2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000036083453 568947034 /nfs/dbraw/zinc/94/70/34/568947034.db2.gz FQQGSQRYIUKOFF-FQEVSTJZSA-N 0 0 448.441 4.606 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083421 568947047 /nfs/dbraw/zinc/94/70/47/568947047.db2.gz MRICZXKBEAOKTG-QFIPXVFZSA-N 0 0 442.943 4.939 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083471 568947217 /nfs/dbraw/zinc/94/72/17/568947217.db2.gz YLUWJFSKKZOQEC-LJQANCHMSA-N 0 0 435.307 4.586 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1F ZINC000064747151 568949852 /nfs/dbraw/zinc/94/98/52/568949852.db2.gz BGPRVIXVMICLSM-INIZCTEOSA-N 0 0 435.377 4.880 50 0 IJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2)n1 ZINC000064747618 568950080 /nfs/dbraw/zinc/95/00/80/568950080.db2.gz TUKONONNILXSQB-INIZCTEOSA-N 0 0 443.301 4.877 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)cc1 ZINC000064757359 568951560 /nfs/dbraw/zinc/95/15/60/568951560.db2.gz OBHHDSZTCNLGPG-HSZRJFAPSA-N 0 0 448.611 4.595 50 0 IJAARN COCCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccccc1F ZINC000036106236 568953664 /nfs/dbraw/zinc/95/36/64/568953664.db2.gz WREJXVXXVUCCOO-UHFFFAOYSA-N 0 0 444.528 4.549 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064775753 568954868 /nfs/dbraw/zinc/95/48/68/568954868.db2.gz YHEVOEJUNNKVTD-UHFFFAOYSA-N 0 0 435.911 4.873 50 0 IJAARN COCCCN(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccccc1F ZINC000036114878 568955291 /nfs/dbraw/zinc/95/52/91/568955291.db2.gz SBUSDBAFFYYVIL-UHFFFAOYSA-N 0 0 428.529 4.849 50 0 IJAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036115675 568955597 /nfs/dbraw/zinc/95/55/97/568955597.db2.gz SDBITDUKVVQKNP-FQEVSTJZSA-N 0 0 449.016 4.799 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120841 568957608 /nfs/dbraw/zinc/95/76/08/568957608.db2.gz VOJVWCLYCHRMLF-UTKZUKDTSA-N 0 0 446.588 4.675 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)CC(C)C ZINC000036121010 568957689 /nfs/dbraw/zinc/95/76/89/568957689.db2.gz XYPWMPTYWMHUAR-OAQYLSRUSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)[C@H](C)CC ZINC000036121934 568958002 /nfs/dbraw/zinc/95/80/02/568958002.db2.gz ACSBEALBSVZFMZ-QUCCMNQESA-N 0 0 428.598 4.598 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)C1CCCC1 ZINC000036121988 568958062 /nfs/dbraw/zinc/95/80/62/568958062.db2.gz JGQSRCFUDHQUHL-NRFANRHFSA-N 0 0 440.609 4.600 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccc(F)cc1)C(=O)C(C)(C)C ZINC000006709039 568958905 /nfs/dbraw/zinc/95/89/05/568958905.db2.gz HOMNAGDCDDMUSG-UHFFFAOYSA-N 0 0 425.548 4.815 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)cc1 ZINC000064794048 568959891 /nfs/dbraw/zinc/95/98/91/568959891.db2.gz YUDRBOHKLRMJAA-UHFFFAOYSA-N 0 0 436.566 4.511 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000064800265 568961264 /nfs/dbraw/zinc/96/12/64/568961264.db2.gz WIXHSDVDHGIZRP-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)cc1 ZINC000064799974 568961268 /nfs/dbraw/zinc/96/12/68/568961268.db2.gz ZPZWVUSXKVEITL-UHFFFAOYSA-N 0 0 439.922 4.592 50 0 IJAARN Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(N2CCCC2)n1 ZINC000064801853 568961469 /nfs/dbraw/zinc/96/14/69/568961469.db2.gz AGRYORJVEUELRF-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN CC(C)COC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145978 568962238 /nfs/dbraw/zinc/96/22/38/568962238.db2.gz FAJVOJRUVQYTGQ-YADHBBJMSA-N 0 0 448.966 4.508 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)cc1 ZINC000064815880 568963653 /nfs/dbraw/zinc/96/36/53/568963653.db2.gz ATJUJNHDDZIHQU-DEOSSOPVSA-N 0 0 436.581 4.508 50 0 IJAARN Cc1cccc(NC(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000036151330 568963931 /nfs/dbraw/zinc/96/39/31/568963931.db2.gz VPYNJLPSYBMRMW-RUZDIDTESA-N 0 0 429.545 4.976 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819078 568965882 /nfs/dbraw/zinc/96/58/82/568965882.db2.gz ZEUROHRZGMIBMR-OAHLLOKOSA-N 0 0 444.457 4.902 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1Cl ZINC000064819143 568966037 /nfs/dbraw/zinc/96/60/37/568966037.db2.gz TYWZKZPYVBHWCU-UHFFFAOYSA-N 0 0 449.864 4.965 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c(Cl)c1 ZINC000064819146 568966059 /nfs/dbraw/zinc/96/60/59/568966059.db2.gz XNSINIVFBMIDPF-UHFFFAOYSA-N 0 0 449.864 4.965 50 0 IJAARN Cc1ccc(CN2c3ccc(C)cc3[C@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036164807 568968212 /nfs/dbraw/zinc/96/82/12/568968212.db2.gz IDMDMTWKBLKLCN-SANMLTNESA-N 0 0 428.557 4.892 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1Cl ZINC000036165024 568968256 /nfs/dbraw/zinc/96/82/56/568968256.db2.gz XFODBNYHEJHDLR-QHCPKHFHSA-N 0 0 438.936 4.830 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(F)c1 ZINC000036164955 568968260 /nfs/dbraw/zinc/96/82/60/568968260.db2.gz NEYPKKATMTVKRQ-QHCPKHFHSA-N 0 0 438.549 4.784 50 0 IJAARN Cc1cccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)CC(C)C)C2=O)c1 ZINC000036165678 568968367 /nfs/dbraw/zinc/96/83/67/568968367.db2.gz QWPSEBRNQYAZNY-HSZRJFAPSA-N 0 0 428.985 4.970 50 0 IJAARN CN(CCc1noc(COc2ccc(F)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064840490 568969963 /nfs/dbraw/zinc/96/99/63/568969963.db2.gz FMILILHRBARBAR-UHFFFAOYSA-N 0 0 438.381 4.513 50 0 IJAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842437 568970871 /nfs/dbraw/zinc/97/08/71/568970871.db2.gz VWNWGNAJDJCPEU-LJQANCHMSA-N 0 0 446.507 4.575 50 0 IJAARN CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000064843171 568970995 /nfs/dbraw/zinc/97/09/95/568970995.db2.gz MOYLGAMUUZZPEB-UHFFFAOYSA-N 0 0 432.501 4.749 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842804 568971074 /nfs/dbraw/zinc/97/10/74/568971074.db2.gz OMZYCYQYJQGEAZ-HXUWFJFHSA-N 0 0 446.507 4.575 50 0 IJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)N2 ZINC000064848142 568971583 /nfs/dbraw/zinc/97/15/83/568971583.db2.gz KRHSALQRUYANTH-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c(C)c1 ZINC000064862190 568973812 /nfs/dbraw/zinc/97/38/12/568973812.db2.gz HODAVRVUMBCITH-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cc(C)cc(C)c3)c2)c1C ZINC000064867214 568974998 /nfs/dbraw/zinc/97/49/98/568974998.db2.gz DKYBFRYVNGAOIH-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)c(F)c3)c2)c1C ZINC000064867262 568975222 /nfs/dbraw/zinc/97/52/22/568975222.db2.gz DQWRARYGIOHQFD-UHFFFAOYSA-N 0 0 430.501 4.517 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cc(F)ccc2F)=Nc2ccccc2N1 ZINC000064869710 568976327 /nfs/dbraw/zinc/97/63/27/568976327.db2.gz LLIMYSUBMQRVSA-UHFFFAOYSA-N 0 0 431.464 4.629 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)c(C)c2)=Nc2ccccc2N1 ZINC000064869762 568976549 /nfs/dbraw/zinc/97/65/49/568976549.db2.gz AVPYWGIFCQWUIY-UHFFFAOYSA-N 0 0 427.501 4.799 50 0 IJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)c(F)c1 ZINC000064872105 568977776 /nfs/dbraw/zinc/97/77/76/568977776.db2.gz OXKZXJAPNBIJEN-UHFFFAOYSA-N 0 0 442.896 4.757 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1Cl ZINC000064872847 568978111 /nfs/dbraw/zinc/97/81/11/568978111.db2.gz ALJJKOGFLWKEDL-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN O=C(NC1CCCCCCC1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873380 568978234 /nfs/dbraw/zinc/97/82/34/568978234.db2.gz GVIZFRWUFSENDP-UHFFFAOYSA-N 0 0 449.526 4.793 50 0 IJAARN CCCn1c2ccc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)cc2[nH]c1=O ZINC000064891206 568981147 /nfs/dbraw/zinc/98/11/47/568981147.db2.gz BWBPOMKTNKNLGL-UHFFFAOYSA-N 0 0 439.475 4.709 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(C)cc2)[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000036247833 568982489 /nfs/dbraw/zinc/98/24/89/568982489.db2.gz MOBWIWSAWAPFMH-QGZVFWFLSA-N 0 0 425.506 4.689 50 0 IJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OC)c(OC)c2)c1 ZINC000036248370 568982607 /nfs/dbraw/zinc/98/26/07/568982607.db2.gz YEMCNYSGVMLRDE-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1cc(OC)cc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248291 568982610 /nfs/dbraw/zinc/98/26/10/568982610.db2.gz YFFYBEAQCZOORW-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248811 568983422 /nfs/dbraw/zinc/98/34/22/568983422.db2.gz SFQHQFKVUPNJLL-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c(Br)c1 ZINC000064920247 568985457 /nfs/dbraw/zinc/98/54/57/568985457.db2.gz PPXPMIYOZOTFOI-UHFFFAOYSA-N 0 0 440.344 4.547 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)N2CCN(Cc3ccc(C)cc3)c3ncccc32)c1 ZINC000064929598 568988091 /nfs/dbraw/zinc/98/80/91/568988091.db2.gz HNHWEPQXOKXVRT-UHFFFAOYSA-N 0 0 430.508 4.625 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000064930834 568989250 /nfs/dbraw/zinc/98/92/50/568989250.db2.gz OLSBVYBACDYQNE-QGZVFWFLSA-N 0 0 443.479 4.746 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccs1 ZINC000036312369 568997649 /nfs/dbraw/zinc/99/76/49/568997649.db2.gz VCYIAZINUVHOGN-UHFFFAOYSA-N 0 0 425.554 4.682 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000036314138 568998915 /nfs/dbraw/zinc/99/89/15/568998915.db2.gz HHVLSPABSCEQGG-UHFFFAOYSA-N 0 0 433.552 4.785 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(NCc2cccc(OC)c2)n1 ZINC000064960363 569000208 /nfs/dbraw/zinc/00/02/08/569000208.db2.gz JCQZKRSCCXCYMH-UHFFFAOYSA-N 0 0 438.871 4.736 50 0 IJAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1nnc(C(=O)Nc2ccccc2C)c1C ZINC000064967460 569001276 /nfs/dbraw/zinc/00/12/76/569001276.db2.gz AAQRJHIMKZPEAC-UHFFFAOYSA-N 0 0 445.523 4.946 50 0 IJAARN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970924 569076390 /nfs/dbraw/zinc/07/63/90/569076390.db2.gz XXFCKBOMWHHKDV-NRFANRHFSA-N 0 0 443.551 4.714 50 0 IJAARN CC(C)c1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)n2)cc1 ZINC000064971996 569076785 /nfs/dbraw/zinc/07/67/85/569076785.db2.gz BBBKBIHMWKKVKX-UHFFFAOYSA-N 0 0 426.467 4.993 50 0 IJAARN Cc1ccccc1C(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000064976680 569077164 /nfs/dbraw/zinc/07/71/64/569077164.db2.gz BDONGMQXACIAKM-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN O=C1C[C@@H](c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)CN1c1cccc(Cl)c1 ZINC000064980042 569078231 /nfs/dbraw/zinc/07/82/31/569078231.db2.gz VLKXCUFUVZEPEH-OAHLLOKOSA-N 0 0 448.914 4.770 50 0 IJAARN Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036344861 569080388 /nfs/dbraw/zinc/08/03/88/569080388.db2.gz GAQLTDGAMPMJFK-SANMLTNESA-N 0 0 427.523 4.870 50 0 IJAARN CN(C)S(=O)(=O)c1cc2c(cc1Oc1ccccc1Cl)Oc1ccccc1NC2=O ZINC000064986517 569082264 /nfs/dbraw/zinc/08/22/64/569082264.db2.gz KZCGWBGQKXSDBX-UHFFFAOYSA-N 0 0 444.896 4.741 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1OC ZINC000064990522 569083302 /nfs/dbraw/zinc/08/33/02/569083302.db2.gz WDCOJYUNQMBKQS-QGZVFWFLSA-N 0 0 445.519 4.617 50 0 IJAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036354288 569084189 /nfs/dbraw/zinc/08/41/89/569084189.db2.gz XGNRSZOQIOAEPO-DEOSSOPVSA-N 0 0 433.552 4.843 50 0 IJAARN CC(C)(C)NC(=O)N1CCC(CN2C(=O)CS[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000006836131 569084751 /nfs/dbraw/zinc/08/47/51/569084751.db2.gz AXGGXLCXYMGVMM-OAQYLSRUSA-N 0 0 431.646 4.778 50 0 IJAARN Cc1ccccc1N(C)C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000133 569085763 /nfs/dbraw/zinc/08/57/63/569085763.db2.gz FYYYNEKZRMSTNF-UHFFFAOYSA-N 0 0 432.495 4.717 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc(F)cc4F)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000311 569085881 /nfs/dbraw/zinc/08/58/81/569085881.db2.gz IVNIOGYLZTTWRD-UHFFFAOYSA-N 0 0 436.458 4.832 50 0 IJAARN COc1ccccc1NC(=O)c1c2c(cn(-c3ccc(C)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000297 569085950 /nfs/dbraw/zinc/08/59/50/569085950.db2.gz AUNYWWFXCNDYHG-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N(C)c4ccc(F)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000487 569086031 /nfs/dbraw/zinc/08/60/31/569086031.db2.gz HLTFGNXEEIEEJN-UHFFFAOYSA-N 0 0 432.495 4.717 50 0 IJAARN CCC(C)(C)NS(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010985 569088402 /nfs/dbraw/zinc/08/84/02/569088402.db2.gz IOFOFVVCWAZEFO-UHFFFAOYSA-N 0 0 434.602 4.841 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023382 569089279 /nfs/dbraw/zinc/08/92/79/569089279.db2.gz QJSWEIJKTWAZFR-QHCPKHFHSA-N 0 0 444.579 4.774 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023546 569089283 /nfs/dbraw/zinc/08/92/83/569089283.db2.gz VHMGQMHBXKFRHL-LJQANCHMSA-N 0 0 436.556 4.537 50 0 IJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(OC)cc4OC)cc3)ccc21 ZINC000065026889 569089946 /nfs/dbraw/zinc/08/99/46/569089946.db2.gz GRPQOJUDNQFREW-UHFFFAOYSA-N 0 0 444.531 4.600 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1 ZINC000065027321 569090204 /nfs/dbraw/zinc/09/02/04/569090204.db2.gz YIBPLXOGGIOFEQ-UHFFFAOYSA-N 0 0 449.507 4.577 50 0 IJAARN O=C(NCCc1ccccc1)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1 ZINC000065027225 569090289 /nfs/dbraw/zinc/09/02/89/569090289.db2.gz LZTXCQYDMJUCOP-UHFFFAOYSA-N 0 0 447.516 4.540 50 0 IJAARN NC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000065034015 569091673 /nfs/dbraw/zinc/09/16/73/569091673.db2.gz JHCLXCRKLFWDKM-UHFFFAOYSA-N 0 0 449.869 4.811 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3cccc(Cl)c3C)nc(N3CCC(C)CC3)c12 ZINC000065056395 569094788 /nfs/dbraw/zinc/09/47/88/569094788.db2.gz RYTWSFRQKCMCHO-UHFFFAOYSA-N 0 0 427.936 4.696 50 0 IJAARN Cc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056718 569094947 /nfs/dbraw/zinc/09/49/47/569094947.db2.gz SCIIQLAXWZNLTJ-XGHQBKJUSA-N 0 0 447.583 4.535 50 0 IJAARN CCN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000169766681 569097229 /nfs/dbraw/zinc/09/72/29/569097229.db2.gz KGMHLTSTRUGRCX-LJQANCHMSA-N 0 0 433.430 4.630 50 0 IJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)cc12 ZINC000036391557 569098098 /nfs/dbraw/zinc/09/80/98/569098098.db2.gz NIUCXXUDCJZHFC-UHFFFAOYSA-N 0 0 427.439 4.990 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N(CCc2ccccc2)Cc2cccs2)CC1 ZINC000036393369 569098491 /nfs/dbraw/zinc/09/84/91/569098491.db2.gz BFTIEGKSJDVKEW-UHFFFAOYSA-N 0 0 438.618 4.933 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1ccc(SC)cc1 ZINC000065075178 569099525 /nfs/dbraw/zinc/09/95/25/569099525.db2.gz QNFGOUBAYGFGLP-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)no1 ZINC000065076774 569100033 /nfs/dbraw/zinc/10/00/33/569100033.db2.gz QQIGLOMEBRRPSS-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(F)ccc4F)csc3n2)cc1OC ZINC000065079380 569100855 /nfs/dbraw/zinc/10/08/55/569100855.db2.gz ZSBOVHRFDUUXPH-UHFFFAOYSA-N 0 0 429.448 4.539 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4F)csc3n2)cc1OC ZINC000065079432 569100938 /nfs/dbraw/zinc/10/09/38/569100938.db2.gz IDXNNPAPXQCTFM-UHFFFAOYSA-N 0 0 429.448 4.539 50 0 IJAARN CCN(CCCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)OC(C)(C)C ZINC000036397905 569100974 /nfs/dbraw/zinc/10/09/74/569100974.db2.gz AUOWXGPXMYCNKC-UHFFFAOYSA-N 0 0 448.995 4.579 50 0 IJAARN COCCn1cc(C(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)c2ccccc2c1=O ZINC000169774032 569102087 /nfs/dbraw/zinc/10/20/87/569102087.db2.gz OUWVYQKXEAGOJK-OAQYLSRUSA-N 0 0 449.938 4.590 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 ZINC000065081943 569102106 /nfs/dbraw/zinc/10/21/06/569102106.db2.gz UQNFTNDUUYTCPF-NQIIRXRSSA-N 0 0 446.522 4.767 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098120 569104621 /nfs/dbraw/zinc/10/46/21/569104621.db2.gz QCEJEXLIKKIHNP-CYBMUJFWSA-N 0 0 441.509 4.744 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099661 569105288 /nfs/dbraw/zinc/10/52/88/569105288.db2.gz ZSVZDIRGWRRWGY-UHFFFAOYSA-N 0 0 448.552 4.671 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc(C)c(C)c4)CC3)n2)c1 ZINC000065111464 569106469 /nfs/dbraw/zinc/10/64/69/569106469.db2.gz ODBQRPPLTAFSQA-UHFFFAOYSA-N 0 0 432.524 4.722 50 0 IJAARN Cc1cccc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)c1 ZINC000065115068 569106618 /nfs/dbraw/zinc/10/66/18/569106618.db2.gz ADXXURXLECVBNG-UHFFFAOYSA-N 0 0 432.593 4.975 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000065115826 569106983 /nfs/dbraw/zinc/10/69/83/569106983.db2.gz LKNDGGPDXQVDMU-UHFFFAOYSA-N 0 0 427.526 4.643 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)no1 ZINC000065112287 569108011 /nfs/dbraw/zinc/10/80/11/569108011.db2.gz DNYYBKNJKSCAFL-UHFFFAOYSA-N 0 0 439.581 4.847 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@H](C)C3)ncn2)c(Br)c1 ZINC000065133387 569109959 /nfs/dbraw/zinc/10/99/59/569109959.db2.gz MFOSKVSNFPPVEM-GASCZTMLSA-N 0 0 449.418 4.761 50 0 IJAARN CCn1nccc1-c1cccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 ZINC000065137311 569110374 /nfs/dbraw/zinc/11/03/74/569110374.db2.gz WEJUAHSRNZZGTJ-QGZVFWFLSA-N 0 0 433.899 4.794 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCC[C@@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148364 569110786 /nfs/dbraw/zinc/11/07/86/569110786.db2.gz YAGZTZHAQTVDTK-CYBMUJFWSA-N 0 0 445.292 4.735 50 0 IJAARN COc1ccccc1-c1nc([C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)no1 ZINC000065149511 569110950 /nfs/dbraw/zinc/11/09/50/569110950.db2.gz FFAKPMVYOJTWMC-OAHLLOKOSA-N 0 0 431.414 4.784 50 0 IJAARN CCOc1ccccc1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1-c1ccncc1 ZINC000065153948 569112224 /nfs/dbraw/zinc/11/22/24/569112224.db2.gz LURPNZIUIKMWTO-UHFFFAOYSA-N 0 0 426.476 4.865 50 0 IJAARN O=C(c1ccccc1Br)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168551 569112586 /nfs/dbraw/zinc/11/25/86/569112586.db2.gz OBDDDLYGCUVMAR-UHFFFAOYSA-N 0 0 428.717 4.758 50 0 IJAARN O=C(Nc1cccc(Br)c1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168924 569112704 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/nfs/dbraw/zinc/15/41/84/569154184.db2.gz YQCANQCPBWLDNQ-UHFFFAOYSA-N 0 0 432.904 4.619 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)c2ccccc2)c1 ZINC000071821943 569154636 /nfs/dbraw/zinc/15/46/36/569154636.db2.gz CDIHSRHTPGZIAA-BJKOFHAPSA-N 0 0 446.478 4.859 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000013579873 569156323 /nfs/dbraw/zinc/15/63/23/569156323.db2.gz NTCMXMIZSLFGBO-NHCUHLMSSA-N 0 0 434.561 4.744 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cc2csc(SCC(=O)c3ccc4c(c3)OCO4)n2)c1 ZINC000013654735 569156389 /nfs/dbraw/zinc/15/63/89/569156389.db2.gz FWGKTJVXFNYDSF-UHFFFAOYSA-N 0 0 440.546 4.645 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N2CCc3sccc3C2)cc1 ZINC000014222954 569158232 /nfs/dbraw/zinc/15/82/32/569158232.db2.gz HZSVARNBIRHCHQ-UHFFFAOYSA-N 0 0 435.574 4.773 50 0 IJAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000014251777 569158318 /nfs/dbraw/zinc/15/83/18/569158318.db2.gz XKAYBQRYBSSTFB-UHFFFAOYSA-N 0 0 437.550 4.769 50 0 IJAARN Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccccc1 ZINC000014289750 569158497 /nfs/dbraw/zinc/15/84/97/569158497.db2.gz WFJQRSYCRDLQMM-RBBKRZOGSA-N 0 0 443.547 4.584 50 0 IJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000014368761 569158785 /nfs/dbraw/zinc/15/87/85/569158785.db2.gz LJJPMIPKQDHAEF-UHFFFAOYSA-N 0 0 428.561 4.559 50 0 IJAARN CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)ccc1Cl ZINC000014603045 569159466 /nfs/dbraw/zinc/15/94/66/569159466.db2.gz FIXBOOBCLRFXMP-UHFFFAOYSA-N 0 0 432.954 4.608 50 0 IJAARN O=C(c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1)N1CCN(c2ccccc2)CC1 ZINC000014609466 569159503 /nfs/dbraw/zinc/15/95/03/569159503.db2.gz YLWCMKZYSGOAIF-UHFFFAOYSA-N 0 0 443.938 4.550 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nnc2-c2ccccc2)cc1 ZINC000089643094 569160429 /nfs/dbraw/zinc/16/04/29/569160429.db2.gz CMJXBWGDISUZIZ-UHFFFAOYSA-N 0 0 429.501 4.946 50 0 IJAARN COc1ccc(-n2c(=O)c3sccc3nc2SCc2nc(-c3ccccc3)no2)cc1 ZINC000016842976 569163467 /nfs/dbraw/zinc/16/34/67/569163467.db2.gz DOCFFNWIYXPMBG-UHFFFAOYSA-N 0 0 448.529 4.798 50 0 IJAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000016846316 569163897 /nfs/dbraw/zinc/16/38/97/569163897.db2.gz SHRPSFIIJJKHBE-UHFFFAOYSA-N 0 0 432.520 4.588 50 0 IJAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(Sc4ccncc4)c23)c1 ZINC000089800062 569164985 /nfs/dbraw/zinc/16/49/85/569164985.db2.gz QNLZTSYXAWQKKV-UHFFFAOYSA-N 0 0 426.592 4.798 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc(OC)c1OC ZINC000016943462 569166828 /nfs/dbraw/zinc/16/68/28/569166828.db2.gz AUEXRKGMGDGCTL-UHFFFAOYSA-N 0 0 446.503 4.558 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000016959982 569168059 /nfs/dbraw/zinc/16/80/59/569168059.db2.gz OSPOIBUWILAXFB-UHFFFAOYSA-N 0 0 437.443 4.639 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000017025779 569170999 /nfs/dbraw/zinc/17/09/99/569170999.db2.gz YIUZFNHCQAEWKZ-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037355946 569171179 /nfs/dbraw/zinc/17/11/79/569171179.db2.gz FFTZQEYVMJXPBR-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN O=C(CCC1CCCC1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037355936 569171260 /nfs/dbraw/zinc/17/12/60/569171260.db2.gz IGXGTBQNGMWLFE-UHFFFAOYSA-N 0 0 432.927 4.680 50 0 IJAARN COc1cc(C)ccc1Oc1cc(N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)ncn1 ZINC000037355868 569171271 /nfs/dbraw/zinc/17/12/71/569171271.db2.gz KMUJLWXDQYTMEJ-LJQANCHMSA-N 0 0 438.572 4.593 50 0 IJAARN Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)c1 ZINC000017122558 569174246 /nfs/dbraw/zinc/17/42/46/569174246.db2.gz IXSCYYIXORHBJD-QFIPXVFZSA-N 0 0 435.321 4.941 50 0 IJAARN Cc1cccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017135536 569174393 /nfs/dbraw/zinc/17/43/93/569174393.db2.gz RNMSZTRPULJSHE-HSZRJFAPSA-N 0 0 436.519 4.885 50 0 IJAARN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)ccc2s1 ZINC000017144137 569174613 /nfs/dbraw/zinc/17/46/13/569174613.db2.gz JZPYLQXZMJIVCN-UHFFFAOYSA-N 0 0 443.594 4.810 50 0 IJAARN O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000017169614 569175307 /nfs/dbraw/zinc/17/53/07/569175307.db2.gz VYNFPOVDLROEEV-UHFFFAOYSA-N 0 0 436.533 4.552 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1Br ZINC000017170895 569175511 /nfs/dbraw/zinc/17/55/11/569175511.db2.gz KGPKTWOTSHKPOR-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN C[C@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000002877807 569177733 /nfs/dbraw/zinc/17/77/33/569177733.db2.gz SCFNNSSXPVARLK-KRWDZBQOSA-N 0 0 442.968 4.797 50 0 IJAARN COc1ccc2c(c1)c(C(=O)COc1ccc3c(c1)oc(=O)c1c3CCCC1)c(C)n2C ZINC000002092652 569178875 /nfs/dbraw/zinc/17/88/75/569178875.db2.gz LONAUZGKLUATNT-UHFFFAOYSA-N 0 0 431.488 4.742 50 0 biogenic IJAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N23)cc1 ZINC000002093430 569178965 /nfs/dbraw/zinc/17/89/65/569178965.db2.gz KTIRBLVXQUYOFW-RPLLCQBOSA-N 0 0 441.575 4.919 50 0 biogenic IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002093389 569178971 /nfs/dbraw/zinc/17/89/71/569178971.db2.gz ZNXRHEJLMOYWPB-LJQANCHMSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002094340 569179146 /nfs/dbraw/zinc/17/91/46/569179146.db2.gz ZTYAPXDYSQSRBJ-IBGZPJMESA-N 0 0 429.513 4.517 50 0 biogenic IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)cc1 ZINC000001088266 569180478 /nfs/dbraw/zinc/18/04/78/569180478.db2.gz YCELKXMYOIRAEB-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN CC(C)c1ccc(-c2nc(NC[C@H]3CCCO3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037361558 569181675 /nfs/dbraw/zinc/18/16/75/569181675.db2.gz OJMVWEBYBILFTI-OAQYLSRUSA-N 0 0 442.567 4.838 50 0 IJAARN CCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433544 569183162 /nfs/dbraw/zinc/18/31/62/569183162.db2.gz UQHGWJZCLJKYGJ-FGZHOGPDSA-N 0 0 426.582 4.514 50 0 IJAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O ZINC000002140319 569186608 /nfs/dbraw/zinc/18/66/08/569186608.db2.gz UFMWTNXFNDDLFA-UHFFFAOYSA-N 0 0 442.895 4.821 50 0 biogenic IJAARN Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3ccc(C)cc3)C2=O)cc1 ZINC000002154866 569187458 /nfs/dbraw/zinc/18/74/58/569187458.db2.gz ITIRKSAFSFYVMK-LSYYVWMOSA-N 0 0 449.554 4.670 50 0 biogenic IJAARN CN(C)c1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000252493586 569187787 /nfs/dbraw/zinc/18/77/87/569187787.db2.gz NDKJBGUFHZBNHI-HSZRJFAPSA-N 0 0 439.968 4.946 50 0 IJAARN CC(C)C(=O)N(Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1)CC2)C(C)C ZINC000037378402 569188579 /nfs/dbraw/zinc/18/85/79/569188579.db2.gz ZXADLOZGCGIVIP-UHFFFAOYSA-N 0 0 448.586 4.963 50 0 IJAARN CCN1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380202 569191650 /nfs/dbraw/zinc/19/16/50/569191650.db2.gz ZGWPGVGYGWPFJY-OAQYLSRUSA-N 0 0 443.513 4.883 50 0 IJAARN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000037384882 569192292 /nfs/dbraw/zinc/19/22/92/569192292.db2.gz YIUOJIXWOMSKRF-UHFFFAOYSA-N 0 0 433.468 4.505 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037385321 569192385 /nfs/dbraw/zinc/19/23/85/569192385.db2.gz CXUBVTPQMNLRBY-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN Cc1cc2nc(Cc3ccc(F)cc3)n(CCC(=O)NCCc3ccccn3)c2cc1C ZINC000037397011 569193213 /nfs/dbraw/zinc/19/32/13/569193213.db2.gz NIPAJRQUHQDHRL-UHFFFAOYSA-N 0 0 430.527 4.527 50 0 IJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4oc(=O)ccc4c3)[C@@](C)(O)CC[C@H]2C1(C)C ZINC000252609568 569195385 /nfs/dbraw/zinc/19/53/85/569195385.db2.gz HUXDDEPCFQSICR-KFBZHQGCSA-N 0 0 442.552 4.707 50 0 IJAARN O=C(CN1CCn2cccc2[C@@H]1c1ccc(F)cc1F)NCc1cccc(C(F)(F)F)c1 ZINC000037425816 569195692 /nfs/dbraw/zinc/19/56/92/569195692.db2.gz HVPKSWXZCYEFFH-QFIPXVFZSA-N 0 0 449.423 4.507 50 0 IJAARN CC[C@@H](C(=O)N1CCCC1)n1c(C)c(C)s/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428103 569196050 /nfs/dbraw/zinc/19/60/50/569196050.db2.gz APGWYBFXUHYWNM-DVCONVQISA-N 0 0 440.396 4.788 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000037443137 569197000 /nfs/dbraw/zinc/19/70/00/569197000.db2.gz FYYYOKPPEHWTGJ-YAEBDLLGSA-N 0 0 441.622 4.874 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442347 569197088 /nfs/dbraw/zinc/19/70/88/569197088.db2.gz LITGQTKPIVRAHA-IBGZPJMESA-N 0 0 437.437 4.958 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000037444196 569197177 /nfs/dbraw/zinc/19/71/77/569197177.db2.gz ZHQVPZVOIQSRBO-NUANOYTQSA-N 0 0 445.563 4.858 50 0 IJAARN O=C(NCC1CC1)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037543308 569199408 /nfs/dbraw/zinc/19/94/08/569199408.db2.gz AEDRUHLRXIBQCH-UHFFFAOYSA-N 0 0 425.298 4.932 50 0 IJAARN Cc1ccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3sc(Br)cc32)cc1 ZINC000037543188 569199464 /nfs/dbraw/zinc/19/94/64/569199464.db2.gz SYQNJXCEEZYISK-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)COc4ccccc4)c3)C2=O)cc1 ZINC000037543384 569199581 /nfs/dbraw/zinc/19/95/81/569199581.db2.gz JHJXVKNFZXAGSH-UHFFFAOYSA-N 0 0 429.520 4.845 50 0 IJAARN O=C(NCCc1ccccn1)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037541969 569199735 /nfs/dbraw/zinc/19/97/35/569199735.db2.gz VZMBGQFBMJYDMF-UHFFFAOYSA-N 0 0 440.366 4.881 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037547064 569199847 /nfs/dbraw/zinc/19/98/47/569199847.db2.gz NSTCWWPXLAIMPZ-NRFANRHFSA-N 0 0 437.515 4.648 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2cccc(F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000037546178 569200099 /nfs/dbraw/zinc/20/00/99/569200099.db2.gz MMGPCBZWHYYXPJ-KNQAVFIVSA-N 0 0 429.511 4.544 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2cccc(F)c2)CC[C@H]1c1ccc(F)cc1 ZINC000037546179 569200103 /nfs/dbraw/zinc/20/01/03/569200103.db2.gz MMGPCBZWHYYXPJ-UGKGYDQZSA-N 0 0 429.511 4.544 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccc(C)cc2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037546767 569200233 /nfs/dbraw/zinc/20/02/33/569200233.db2.gz KPCVAGVTMIZQGX-JOCHJYFZSA-N 0 0 433.552 4.818 50 0 IJAARN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000037554090 569200290 /nfs/dbraw/zinc/20/02/90/569200290.db2.gz AUFMEQUJBPWQKG-UHFFFAOYSA-N 0 0 437.559 4.859 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037560580 569201106 /nfs/dbraw/zinc/20/11/06/569201106.db2.gz NHEUXTHDGXBSAZ-UHFFFAOYSA-N 0 0 438.568 4.994 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)c1)NCCc1ccccc1 ZINC000037601051 569202244 /nfs/dbraw/zinc/20/22/44/569202244.db2.gz CHCQQRLLORSVGK-UHFFFAOYSA-N 0 0 430.523 4.670 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037602189 569202368 /nfs/dbraw/zinc/20/23/68/569202368.db2.gz UENROFWBLNVCDF-HXOBKFHXSA-N 0 0 440.559 4.639 50 0 IJAARN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037603560 569202650 /nfs/dbraw/zinc/20/26/50/569202650.db2.gz VRPCJWXYGSKLPV-BVZFJXPGSA-N 0 0 440.559 4.639 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)N(CC)CC ZINC000037603141 569202661 /nfs/dbraw/zinc/20/26/61/569202661.db2.gz GDPKCYNXBRZPFH-UIOOFZCWSA-N 0 0 448.607 4.905 50 0 IJAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000002229517 569208346 /nfs/dbraw/zinc/20/83/46/569208346.db2.gz QRXADQPIUSONIR-LWUPDDLQSA-N 0 0 438.552 4.529 50 0 IJAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000001973269 569211299 /nfs/dbraw/zinc/21/12/99/569211299.db2.gz WNGJFLXQTQPODU-OQLLNIDSSA-N 0 0 433.460 4.691 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1 ZINC000002691748 569212591 /nfs/dbraw/zinc/21/25/91/569212591.db2.gz LIIVQUPNMPCVEW-UHFFFAOYSA-N 0 0 439.920 4.545 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Br)C1c3ccccc3C2c2ccccc21 ZINC000003181382 569213292 /nfs/dbraw/zinc/21/32/92/569213292.db2.gz MQSJZSUDZTUUSB-UJKMTWAASA-N 0 0 430.301 4.846 50 0 IJAARN Cc1cc(C)cc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002251193 569214029 /nfs/dbraw/zinc/21/40/29/569214029.db2.gz XJZZDWZEBRGRRN-UHFFFAOYSA-N 0 0 446.507 4.745 50 0 IJAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002251362 569214141 /nfs/dbraw/zinc/21/41/41/569214141.db2.gz PBVJJLMDGRMZKW-UHFFFAOYSA-N 0 0 441.922 4.798 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Br)COC(C)(C)C2 ZINC000002261405 569215826 /nfs/dbraw/zinc/21/58/26/569215826.db2.gz DDNKMUWJBAXESG-UHFFFAOYSA-N 0 0 438.343 4.791 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002265742 569216172 /nfs/dbraw/zinc/21/61/72/569216172.db2.gz XQWKQXBZMWMXBY-UHFFFAOYSA-N 0 0 427.595 4.704 50 0 IJAARN CSc1nc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c(NC[C@H]2CCCO2)n1 ZINC000002253805 569216703 /nfs/dbraw/zinc/21/67/03/569216703.db2.gz WGOBTZSQKZORIA-GFCCVEGCSA-N 0 0 430.599 4.712 50 0 IJAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 ZINC000002273039 569217732 /nfs/dbraw/zinc/21/77/32/569217732.db2.gz DEYBJHWXYDRNDZ-UHFFFAOYSA-N 0 0 429.314 4.634 50 0 IJAARN CCC(=O)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I ZINC000027520935 569218313 /nfs/dbraw/zinc/21/83/13/569218313.db2.gz YXBOFQVCABLWQK-UHFFFAOYSA-N 0 0 448.256 4.612 50 0 IJAARN CC(=O)CC[C@@H]1C(=O)c2c(O)cc(O[C@H](C)CCCc3ccccc3)cc2N(C=O)[C@@H]1C ZINC000071769537 569258552 /nfs/dbraw/zinc/25/85/52/569258552.db2.gz RJCHLQZXSWIIAI-KNKQGSTJSA-N 0 0 437.536 4.715 50 0 IJAARN CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 ZINC000027527871 569263474 /nfs/dbraw/zinc/26/34/74/569263474.db2.gz ZEVDFBFNOSBTLW-UHFFFAOYSA-N 0 0 438.487 4.990 50 0 IJAARN O=C(Nc1ccccc1F)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000002287177 569263942 /nfs/dbraw/zinc/26/39/42/569263942.db2.gz NCRLUCBIWKXOPI-UHFFFAOYSA-N 0 0 441.050 4.709 50 0 IJAARN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000253383320 569264199 /nfs/dbraw/zinc/26/41/99/569264199.db2.gz LEHDGEHPOHUFBQ-AQWTWLKTSA-N 0 0 448.522 4.639 50 0 IJAARN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1(C)C ZINC000253392611 569264349 /nfs/dbraw/zinc/26/43/49/569264349.db2.gz RYIHWRRZRXBGSA-KRWDZBQOSA-N 0 0 436.643 4.931 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnoc3-c3ccc(F)cc3Cl)C[C@H]21 ZINC000253418304 569266626 /nfs/dbraw/zinc/26/66/26/569266626.db2.gz LQLHDFORJLYJLM-BJOOFOGMSA-N 0 0 449.910 4.509 50 0 IJAARN CCc1cc(CCCSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)on1 ZINC000253425771 569267254 /nfs/dbraw/zinc/26/72/54/569267254.db2.gz HHANIGGOBOEOFV-UHFFFAOYSA-N 0 0 449.580 4.536 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000027534508 569267758 /nfs/dbraw/zinc/26/77/58/569267758.db2.gz VDKHTEXPPHZNLO-UHFFFAOYSA-N 0 0 440.286 4.953 50 0 IJAARN Cc1ccccc1-n1c(SCC(N)=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002292858 569268270 /nfs/dbraw/zinc/26/82/70/569268270.db2.gz MFQRWTYDOZFONC-UHFFFAOYSA-N 0 0 445.588 4.543 50 0 IJAARN Cc1ccc(C)c(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002315799 569272461 /nfs/dbraw/zinc/27/24/61/569272461.db2.gz KFXGVNYVEMXFDO-UHFFFAOYSA-N 0 0 435.531 4.745 50 0 IJAARN CCOC(=O)[C@@](NC(=O)Nc1ccccc1)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000002311330 569272907 /nfs/dbraw/zinc/27/29/07/569272907.db2.gz YIJKMDQLVKPBLI-KRWDZBQOSA-N 0 0 449.351 4.761 50 0 IJAARN CC(C)(C)OC(=O)NCCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000002322999 569274332 /nfs/dbraw/zinc/27/43/32/569274332.db2.gz FEZXYWJGEWINLY-UHFFFAOYSA-N 0 0 443.883 4.934 50 0 IJAARN CCOc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002328380 569274437 /nfs/dbraw/zinc/27/44/37/569274437.db2.gz UISUWWQTYOYHRY-UHFFFAOYSA-N 0 0 437.503 4.866 50 0 IJAARN CCOc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002329674 569274442 /nfs/dbraw/zinc/27/44/42/569274442.db2.gz BMZCCMWHTSSRAW-UHFFFAOYSA-N 0 0 429.524 4.617 50 0 IJAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC ZINC000002337032 569274887 /nfs/dbraw/zinc/27/48/87/569274887.db2.gz SJAGYUWZVSPGKJ-UHFFFAOYSA-N 0 0 447.466 4.834 50 0 IJAARN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253530694 569283844 /nfs/dbraw/zinc/28/38/44/569283844.db2.gz PZNPHSFXILSZTM-XOYQCKHESA-N 0 0 432.645 4.765 50 0 biogenic IJAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)c(C)c1 ZINC000002375436 569289277 /nfs/dbraw/zinc/28/92/77/569289277.db2.gz XTDCNLZACUNHFV-KRWDZBQOSA-N 0 0 434.562 4.639 50 0 IJAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002389465 569296252 /nfs/dbraw/zinc/29/62/52/569296252.db2.gz LVDVACQOTBFVQC-DFBJGRDBSA-N 0 0 426.291 4.926 50 0 IJAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 ZINC000002401857 569299654 /nfs/dbraw/zinc/29/96/54/569299654.db2.gz DDCQLQTYCYHWQM-GFCCVEGCSA-N 0 0 439.313 4.874 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[C@H]1CCCO1 ZINC000002405551 569300105 /nfs/dbraw/zinc/30/01/05/569300105.db2.gz KJQNSHVGRNBSCR-DNVCBOLYSA-N 0 0 430.287 4.824 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002410494 569300825 /nfs/dbraw/zinc/30/08/25/569300825.db2.gz QWYIXEWCZBQMBM-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)s1 ZINC000002411370 569300869 /nfs/dbraw/zinc/30/08/69/569300869.db2.gz LJDNMHBBSILYOK-KRWDZBQOSA-N 0 0 441.871 4.749 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccc(C)cc2C)cc1 ZINC000002411798 569301085 /nfs/dbraw/zinc/30/10/85/569301085.db2.gz ZUEARFIHQFJAJW-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2c(C)cccc2C)cc1 ZINC000002417029 569301518 /nfs/dbraw/zinc/30/15/18/569301518.db2.gz XTGCJBQCRKAMNN-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN CC(C)c1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002424111 569302376 /nfs/dbraw/zinc/30/23/76/569302376.db2.gz VPPQVASAJHAJHI-GOSISDBHSA-N 0 0 430.508 4.615 50 0 IJAARN CCOC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000002426148 569302517 /nfs/dbraw/zinc/30/25/17/569302517.db2.gz BVZCDOLNOPLMKZ-UHFFFAOYSA-N 0 0 433.254 4.598 50 0 IJAARN COc1cc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc(Cl)c1OC(C)=O ZINC000002430269 569303252 /nfs/dbraw/zinc/30/32/52/569303252.db2.gz FJEFGMDRPGHKPO-TVPGTPATSA-N 0 0 442.201 4.550 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@@H](O)c1ccccc1 ZINC000002437885 569303922 /nfs/dbraw/zinc/30/39/22/569303922.db2.gz XBLBGMOYGZUDLH-KNQAVFIVSA-N 0 0 449.865 4.864 50 0 IJAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)C(C)(C)C)cc1 ZINC000002444302 569304399 /nfs/dbraw/zinc/30/43/99/569304399.db2.gz HJWZRAQVEAXNSC-UHFFFAOYSA-N 0 0 425.554 4.871 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000012569732 569304607 /nfs/dbraw/zinc/30/46/07/569304607.db2.gz ISRMZNIQLQPZHE-DHZHZOJOSA-N 0 0 426.988 4.743 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000012985484 569305788 /nfs/dbraw/zinc/30/57/88/569305788.db2.gz DTUCZNSZTODVOM-UHFFFAOYSA-N 0 0 440.421 4.551 50 0 IJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013009871 569306548 /nfs/dbraw/zinc/30/65/48/569306548.db2.gz SVSZDLJASRISRF-UHFFFAOYSA-N 0 0 432.915 4.857 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 ZINC000013009939 569306662 /nfs/dbraw/zinc/30/66/62/569306662.db2.gz BATAOXFHBBQKHD-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1 ZINC000013012846 569306998 /nfs/dbraw/zinc/30/69/98/569306998.db2.gz NCXCWUUTJCSGAG-SECBINFHSA-N 0 0 429.673 4.606 50 0 IJAARN O=C(COC(=O)CCCSc1nc2ccccc2s1)NCc1ccc(Cl)cc1 ZINC000013056481 569308267 /nfs/dbraw/zinc/30/82/67/569308267.db2.gz PUZNSYUPLFNGBA-UHFFFAOYSA-N 0 0 434.970 4.682 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000013057829 569308435 /nfs/dbraw/zinc/30/84/35/569308435.db2.gz RRUHPPAXKJLUCL-UHFFFAOYSA-N 0 0 447.516 4.953 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1 ZINC000013095364 569309484 /nfs/dbraw/zinc/30/94/84/569309484.db2.gz FYRVCKRTAJVEDX-IRXDYDNUSA-N 0 0 443.927 4.548 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Oc2ccc3c(c2)CCC3)c1 ZINC000013112431 569310564 /nfs/dbraw/zinc/31/05/64/569310564.db2.gz RAENERMQBGSHLO-QGZVFWFLSA-N 0 0 433.529 4.534 50 0 IJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl ZINC000013116985 569310936 /nfs/dbraw/zinc/31/09/36/569310936.db2.gz NMWWOIHXFSVMBL-UHFFFAOYSA-N 0 0 430.129 4.905 50 0 IJAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456471 569312715 /nfs/dbraw/zinc/31/27/15/569312715.db2.gz WQWAZSZHKKDCBS-OAQYLSRUSA-N 0 0 430.813 4.941 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CCC3)cc2)cc1 ZINC000013351004 569313113 /nfs/dbraw/zinc/31/31/13/569313113.db2.gz XYJPLRKFMFONJJ-UHFFFAOYSA-N 0 0 434.561 4.534 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355051 569313569 /nfs/dbraw/zinc/31/35/69/569313569.db2.gz BYDQCIHHTNCOLQ-UHFFFAOYSA-N 0 0 426.582 4.591 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(F)ccc4F)ccc32)cc1 ZINC000013359661 569313831 /nfs/dbraw/zinc/31/38/31/569313831.db2.gz JSDDCPFNZMKHQB-UHFFFAOYSA-N 0 0 443.475 4.669 50 0 IJAARN COc1ccc2oc([C@H](C)NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)c(C)c2c1 ZINC000078605409 569316617 /nfs/dbraw/zinc/31/66/17/569316617.db2.gz GOYXUYISJTYMJY-LHSJRXKWSA-N 0 0 430.451 4.872 50 0 IJAARN CNC(=O)[C@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000019298229 569317319 /nfs/dbraw/zinc/31/73/19/569317319.db2.gz OVDMLFGPQWKTCZ-ZDUSSCGKSA-N 0 0 441.523 4.641 50 0 IJAARN C[C@H]1CN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c2ccccc2NC1=O ZINC000078954042 569320609 /nfs/dbraw/zinc/32/06/09/569320609.db2.gz GYQSANLJHPMZEJ-SFHVURJKSA-N 0 0 443.551 4.563 50 0 IJAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000079015183 569321996 /nfs/dbraw/zinc/32/19/96/569321996.db2.gz JQKZUZKOWJICLJ-JTHBVZDNSA-N 0 0 444.547 4.997 50 0 IJAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)cc1 ZINC000019852758 569330481 /nfs/dbraw/zinc/33/04/81/569330481.db2.gz QBYRPAKIVVKUDW-UHFFFAOYSA-N 0 0 435.574 4.835 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002463366 569331787 /nfs/dbraw/zinc/33/17/87/569331787.db2.gz DNZCJNGTXAWUIC-LIRRHRJNSA-N 0 0 426.925 4.732 50 0 IJAARN O=C(OCc1ccccc1)N1CN(CCc2ccccc2)Cc2c(=O)c3ccccc3oc21 ZINC000020037079 569332729 /nfs/dbraw/zinc/33/27/29/569332729.db2.gz SCEQFJGZOWPQFN-UHFFFAOYSA-N 0 0 440.499 4.952 50 0 IJAARN COc1cc2c(C(=O)N(C)c3ccccc3Cl)cn(CC(C)C)c(=O)c2cc1OC ZINC000020104614 569334105 /nfs/dbraw/zinc/33/41/05/569334105.db2.gz ZEMOLXALOUNIMP-UHFFFAOYSA-N 0 0 428.916 4.605 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(C)c(Cl)c1 ZINC000020132919 569335454 /nfs/dbraw/zinc/33/54/54/569335454.db2.gz RJUZRPAFAPQHBI-UHFFFAOYSA-N 0 0 445.335 4.962 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1cccs1 ZINC000020133874 569335548 /nfs/dbraw/zinc/33/55/48/569335548.db2.gz VYAPFFUROLBKOA-QGZVFWFLSA-N 0 0 430.530 4.623 50 0 IJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCc3cccs3)cc2N(C)C1=O ZINC000020179748 569354973 /nfs/dbraw/zinc/35/49/73/569354973.db2.gz XINPWBACUWCHAX-FYJGNVAPSA-N 0 0 436.558 4.796 50 0 IJAARN Cc1ccc(CNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)cc1 ZINC000020180650 569355137 /nfs/dbraw/zinc/35/51/37/569355137.db2.gz MFBLDBDWQYVOCE-OEAKJJBVSA-N 0 0 432.907 4.731 50 0 IJAARN Cc1ccc(CNC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)cc1 ZINC000020180775 569355149 /nfs/dbraw/zinc/35/51/49/569355149.db2.gz PCKHVGONZIWPBM-OEAKJJBVSA-N 0 0 432.907 4.731 50 0 IJAARN Cc1ccc(CCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)cc1 ZINC000020181159 569355330 /nfs/dbraw/zinc/35/53/30/569355330.db2.gz MLXXCHGVSGWXKZ-JLPGSUDCSA-N 0 0 446.547 4.973 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCc1ccccc1Cl ZINC000020241544 569358066 /nfs/dbraw/zinc/35/80/66/569358066.db2.gz LJHJTBLFIDSTFJ-NDEPHWFRSA-N 0 0 437.348 4.522 50 0 IJAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242767 569358285 /nfs/dbraw/zinc/35/82/85/569358285.db2.gz PWNNBTCPGLDBFG-YTTGMZPUSA-N 0 0 444.556 4.686 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1 ZINC000020355826 569361362 /nfs/dbraw/zinc/36/13/62/569361362.db2.gz SRKRXVJVYKUMIZ-HSZRJFAPSA-N 0 0 445.544 4.854 50 0 IJAARN CC(C)(C)c1cc([C@H](c2ccc(F)cc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O ZINC000095351642 569361952 /nfs/dbraw/zinc/36/19/52/569361952.db2.gz OKLZUMGNKSVRAO-DEOSSOPVSA-N 0 0 442.619 4.826 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1)c1ccccn1 ZINC000095351269 569361988 /nfs/dbraw/zinc/36/19/88/569361988.db2.gz OWZBEAFCMUNVDB-UHFFFAOYSA-N 0 0 425.410 4.946 50 0 IJAARN CC(C)c1ccc(/C=C/S(=O)(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000020405720 569363826 /nfs/dbraw/zinc/36/38/26/569363826.db2.gz QIKOFXUZXMXLTF-JXMROGBWSA-N 0 0 447.910 4.879 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000020415594 569364464 /nfs/dbraw/zinc/36/44/64/569364464.db2.gz KBCIVOFOQRTSIQ-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417490 569365025 /nfs/dbraw/zinc/36/50/25/569365025.db2.gz VGDRROSAQFIRBD-UHFFFAOYSA-N 0 0 446.526 4.566 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000095449941 569367620 /nfs/dbraw/zinc/36/76/20/569367620.db2.gz LSEHVSPTTKTPLA-URXFXBBRSA-N 0 0 447.579 4.931 50 0 IJAARN CC[C@H](Oc1ccccc1Cl)C(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000095451301 569367735 /nfs/dbraw/zinc/36/77/35/569367735.db2.gz OAOLAJRBERAUQO-NRFANRHFSA-N 0 0 443.975 4.900 50 0 IJAARN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000095458878 569369170 /nfs/dbraw/zinc/36/91/70/569369170.db2.gz XZJCXHHXDLNVCB-VFNWGFHPSA-N 0 0 428.579 4.950 50 0 IJAARN COc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@H]2CCCC[C@@H]2C)cc1OC 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IJAARN O=C(/C=C/c1ccccc1)N[C@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096096037 569381108 /nfs/dbraw/zinc/38/11/08/569381108.db2.gz OTJLQCRUAZMYCU-QGFLDLQWSA-N 0 0 439.471 4.579 50 0 IJAARN COc1cc(/C=C/C(=O)NCc2sc(-c3ccccc3F)nc2C)cc(OC)c1OC ZINC000096102827 569381923 /nfs/dbraw/zinc/38/19/23/569381923.db2.gz FCLWYHASHJLJOR-MDZDMXLPSA-N 0 0 442.512 4.613 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117230 569384146 /nfs/dbraw/zinc/38/41/46/569384146.db2.gz GEKRGMOLZUIUON-DNVCBOLYSA-N 0 0 441.532 4.722 50 0 IJAARN O=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000096119850 569384823 /nfs/dbraw/zinc/38/48/23/569384823.db2.gz AFWHVHGYPHFOER-UHFFFAOYSA-N 0 0 431.482 4.538 50 0 IJAARN CCn1cc(Cl)c(C(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183707 569386024 /nfs/dbraw/zinc/38/60/24/569386024.db2.gz CRFBNEQIPPXMEZ-DEOSSOPVSA-N 0 0 436.987 4.721 50 0 IJAARN CC(C)CC(=O)N1CCN(c2nc(C3CCCCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000096210516 569386502 /nfs/dbraw/zinc/38/65/02/569386502.db2.gz NRUIVKXMUDSBPT-UHFFFAOYSA-N 0 0 446.599 4.558 50 0 IJAARN CC(C)CN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1cccs1 ZINC000096277754 569388881 /nfs/dbraw/zinc/38/88/81/569388881.db2.gz YCVVUHUPWRIIMT-UHFFFAOYSA-N 0 0 434.359 4.902 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C\c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000096288977 569390567 /nfs/dbraw/zinc/39/05/67/569390567.db2.gz DAFMAOYNACTEDK-WTKPLQERSA-N 0 0 435.427 4.710 50 0 IJAARN CCn1c(SCc2cccc(C(=O)NCc3ccncc3)c2)nnc1-c1ccc(C)cc1 ZINC000096289893 569390791 /nfs/dbraw/zinc/39/07/91/569390791.db2.gz AARSXUHCZILJEY-UHFFFAOYSA-N 0 0 443.576 4.891 50 0 IJAARN COCCNC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1-c1cccc(C)c1 ZINC000096290378 569390870 /nfs/dbraw/zinc/39/08/70/569390870.db2.gz DJNOWORAAJLAOP-UHFFFAOYSA-N 0 0 448.548 4.504 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(C(=O)C2CCC2)C(C)C)c1 ZINC000096290481 569390896 /nfs/dbraw/zinc/39/08/96/569390896.db2.gz JOGSDKIIHPFEHM-UHFFFAOYSA-N 0 0 435.973 4.953 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)C1CCC1 ZINC000096290336 569390900 /nfs/dbraw/zinc/39/09/00/569390900.db2.gz NXQJWWFHCITIPV-MRXNPFEDSA-N 0 0 449.544 4.529 50 0 IJAARN COc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)Cc3ccc(F)cc3)n2)c1 ZINC000096292904 569391366 /nfs/dbraw/zinc/39/13/66/569391366.db2.gz AWGWTIWOJJOBIK-JOCHJYFZSA-N 0 0 431.467 4.527 50 0 IJAARN CCCCN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccccc1Cl ZINC000096293463 569391499 /nfs/dbraw/zinc/39/14/99/569391499.db2.gz USLICTVQTGROFW-UHFFFAOYSA-N 0 0 427.888 4.604 50 0 IJAARN CC(C)(C)CC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)CC1CC1 ZINC000096294650 569391779 /nfs/dbraw/zinc/39/17/79/569391779.db2.gz RZNLTMKMXNQLAK-UHFFFAOYSA-N 0 0 433.545 4.768 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000096316785 569392855 /nfs/dbraw/zinc/39/28/55/569392855.db2.gz GUYSVJDGVIFTDA-LJQANCHMSA-N 0 0 437.632 4.746 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096316781 569392924 /nfs/dbraw/zinc/39/29/24/569392924.db2.gz UAHIMUJOJVKCQF-SFHVURJKSA-N 0 0 441.595 4.522 50 0 IJAARN CCc1nc(CC(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000096317612 569393491 /nfs/dbraw/zinc/39/34/91/569393491.db2.gz GNWUIEDYABWYCF-UHFFFAOYSA-N 0 0 436.644 4.831 50 0 IJAARN Cc1nc(C(C)C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000096317869 569393660 /nfs/dbraw/zinc/39/36/60/569393660.db2.gz SJPQPKHAFIFKTC-UHFFFAOYSA-N 0 0 444.982 4.740 50 0 IJAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(SC)cc4)no3)o2)cc1 ZINC000096322705 569394816 /nfs/dbraw/zinc/39/48/16/569394816.db2.gz GQIWYKNHPXOIFM-UHFFFAOYSA-N 0 0 442.518 4.701 50 0 IJAARN COc1ccc(CNC(=O)C[C@@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)cc1 ZINC000096323086 569395001 /nfs/dbraw/zinc/39/50/01/569395001.db2.gz USOVBYHXXGIJSN-JOCHJYFZSA-N 0 0 434.511 4.617 50 0 IJAARN COc1ccccc1CNC(=O)C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000096323060 569395046 /nfs/dbraw/zinc/39/50/46/569395046.db2.gz MFERPSQAZGBQMF-NRFANRHFSA-N 0 0 436.939 4.823 50 0 IJAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C(C)C)cc1)C3 ZINC000096326901 569396317 /nfs/dbraw/zinc/39/63/17/569396317.db2.gz XLLASGFAEBVGNP-UHFFFAOYSA-N 0 0 439.943 4.723 50 0 IJAARN COc1cccc2cc(C(=O)Nc3ccccc3Cc3nc(-c4cccnc4)no3)oc21 ZINC000096356693 569397420 /nfs/dbraw/zinc/39/74/20/569397420.db2.gz LZRZYFDOYMFRLD-UHFFFAOYSA-N 0 0 426.432 4.730 50 0 IJAARN CCC(=O)NCc1csc(C2CCN(C(=O)c3cc(SC)ccc3Cl)CC2)n1 ZINC000096372565 569397915 /nfs/dbraw/zinc/39/79/15/569397915.db2.gz AFBJXRDPCKCRQD-UHFFFAOYSA-N 0 0 438.018 4.564 50 0 IJAARN C[C@@H](NC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1)c1ccccc1 ZINC000096386327 569398457 /nfs/dbraw/zinc/39/84/57/569398457.db2.gz IHLZKXVSYRBSKU-MRXNPFEDSA-N 0 0 426.973 4.614 50 0 IJAARN O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000096386631 569398629 /nfs/dbraw/zinc/39/86/29/569398629.db2.gz SAADHPZSQAXAMU-UHFFFAOYSA-N 0 0 425.945 4.994 50 0 IJAARN CCOc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCSCC3)c2)cc1 ZINC000096386632 569398676 /nfs/dbraw/zinc/39/86/76/569398676.db2.gz GOIXTQFZTLIPSK-UHFFFAOYSA-N 0 0 435.553 4.740 50 0 IJAARN COc1ccc([C@H](C)NC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000096387128 569398873 /nfs/dbraw/zinc/39/88/73/569398873.db2.gz SYRGEIFTDPLCAZ-YCRPNKLZSA-N 0 0 435.911 4.713 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000096396469 569399125 /nfs/dbraw/zinc/39/91/25/569399125.db2.gz AHMRHOKNAQAGKK-UHFFFAOYSA-N 0 0 448.450 4.519 50 0 IJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)COc2ccc(Cl)cc2)cc1OCC ZINC000096398993 569399770 /nfs/dbraw/zinc/39/97/70/569399770.db2.gz SPNHWCJNNSRKST-UHFFFAOYSA-N 0 0 429.904 4.853 50 0 IJAARN CCn1c(-c2cc(NC(=O)c3ccc(Br)o3)n[nH]2)cc2ccc(OC)cc21 ZINC000096398656 569399814 /nfs/dbraw/zinc/39/98/14/569399814.db2.gz ZQNLEVQYFIMVRD-UHFFFAOYSA-N 0 0 429.274 4.668 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)cc1F ZINC000096399751 569400297 /nfs/dbraw/zinc/40/02/97/569400297.db2.gz OTIUJEKGXDFGMB-UHFFFAOYSA-N 0 0 437.518 4.518 50 0 IJAARN COC(=O)c1ccc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)cc1 ZINC000096403101 569400548 /nfs/dbraw/zinc/40/05/48/569400548.db2.gz FINSNSVGVWLFKK-YVMONPNESA-N 0 0 429.472 4.605 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096593684 569401972 /nfs/dbraw/zinc/40/19/72/569401972.db2.gz HNVRRYAUCZJLHY-RUZDIDTESA-N 0 0 432.545 4.821 50 0 IJAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCCO)c1 ZINC000334163512 569402184 /nfs/dbraw/zinc/40/21/84/569402184.db2.gz VJZMPCDZTVFSDX-SANMLTNESA-N 0 0 442.515 4.780 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000002474692 569404371 /nfs/dbraw/zinc/40/43/71/569404371.db2.gz HDEULOAEAOGOSI-CRAIPNDOSA-N 0 0 448.376 4.664 50 0 IJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000002497232 569405717 /nfs/dbraw/zinc/40/57/17/569405717.db2.gz VJJGIVJILQDFQK-UHFFFAOYSA-N 0 0 439.489 4.881 50 0 IJAARN Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc(-c2ccc(F)cc2)nn1C ZINC000225626074 569405966 /nfs/dbraw/zinc/40/59/66/569405966.db2.gz JCILTYKQPDOTQZ-UHFFFAOYSA-N 0 0 427.439 4.990 50 0 IJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225729581 569407555 /nfs/dbraw/zinc/40/75/55/569407555.db2.gz KPGJXWPRMXVLOM-GOSISDBHSA-N 0 0 440.421 4.625 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3C)n2)cc1OC ZINC000028294395 569409648 /nfs/dbraw/zinc/40/96/48/569409648.db2.gz CLISBYVAECFPDU-UHFFFAOYSA-N 0 0 427.526 4.637 50 0 IJAARN Cc1cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)n1Cc1cccs1 ZINC000002624169 569411487 /nfs/dbraw/zinc/41/14/87/569411487.db2.gz QUZHMXRYBWTAEV-UHFFFAOYSA-N 0 0 428.863 4.932 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000002626010 569411788 /nfs/dbraw/zinc/41/17/88/569411788.db2.gz PNGBBZIFEPMSRD-KDOFPFPSSA-N 0 0 441.557 4.732 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000002630758 569412378 /nfs/dbraw/zinc/41/23/78/569412378.db2.gz JVXHTCDWPKRIKL-JOCHJYFZSA-N 0 0 435.911 4.798 50 0 IJAARN Cc1c(NC(=O)c2ccccc2OCc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000002632934 569412537 /nfs/dbraw/zinc/41/25/37/569412537.db2.gz CQYIJODVYMLRHK-UHFFFAOYSA-N 0 0 447.922 4.969 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)NCc1cccs1 ZINC000002635262 569412902 /nfs/dbraw/zinc/41/29/02/569412902.db2.gz SUHLMKIJRMLFSS-UHFFFAOYSA-N 0 0 442.516 4.683 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2cc3ccccc3cc2O)n(-c2ccccc2)n1 ZINC000002636580 569413050 /nfs/dbraw/zinc/41/30/50/569413050.db2.gz UHWRONDEPWVGIF-UHFFFAOYSA-N 0 0 443.503 4.824 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3ccccc3n2)n(-c2ccccc2)n1 ZINC000002636629 569413158 /nfs/dbraw/zinc/41/31/58/569413158.db2.gz RYHMNCBZZRQKEK-UHFFFAOYSA-N 0 0 428.492 4.514 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002688235 569416827 /nfs/dbraw/zinc/41/68/27/569416827.db2.gz BRPBRJDWHFHBFB-UHFFFAOYSA-N 0 0 447.874 4.672 50 0 IJAARN COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691251 569416976 /nfs/dbraw/zinc/41/69/76/569416976.db2.gz ROJQHBGUQJLHOL-UHFFFAOYSA-N 0 0 443.499 4.615 50 0 IJAARN COc1cccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000002690310 569416993 /nfs/dbraw/zinc/41/69/93/569416993.db2.gz MABGFRBKZMRRPU-UHFFFAOYSA-N 0 0 447.874 4.672 50 0 IJAARN CCn1ncc(NC(=O)c2cccc(COc3cccc4ccccc43)c2)c1C(=O)N(C)C ZINC000002729911 569418953 /nfs/dbraw/zinc/41/89/53/569418953.db2.gz GJAHQGFYFSZUSH-UHFFFAOYSA-N 0 0 442.519 4.589 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000028730312 569419368 /nfs/dbraw/zinc/41/93/68/569419368.db2.gz JVNQFBNEWSLNEO-UHFFFAOYSA-N 0 0 443.979 4.558 50 0 IJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3c3ccccc32)cc1 ZINC000002752342 569420218 /nfs/dbraw/zinc/42/02/18/569420218.db2.gz QUGYKSNBEDWQIV-VUUXHMSQSA-N 0 0 429.903 4.832 50 0 IJAARN C[C@@H]1CCCCN1C(=O)c1cccc(COc2ccc(I)cc2)c1 ZINC000002754111 569420435 /nfs/dbraw/zinc/42/04/35/569420435.db2.gz MAKHFATWCCVGRY-OAHLLOKOSA-N 0 0 435.305 4.885 50 0 IJAARN O=C1OC(c2ccc(I)cc2)=N/C1=C/c1cccc2ccccc12 ZINC000002771585 569420908 /nfs/dbraw/zinc/42/09/08/569420908.db2.gz JVBFPWJLZXHJRP-LDADJPATSA-N 0 0 425.225 4.789 50 0 IJAARN Cc1c(Cl)c(C(F)(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 ZINC000002789610 569421392 /nfs/dbraw/zinc/42/13/92/569421392.db2.gz LUYCCKKNINWCRM-MRVPVSSYSA-N 0 0 440.882 4.689 50 0 IJAARN CCOC(=O)c1sc2nc(CC(=O)OC)nc(Nc3ccc(C)c(Cl)c3)c2c1C ZINC000002912210 569425024 /nfs/dbraw/zinc/42/50/24/569425024.db2.gz BQRISCUFNATOAM-UHFFFAOYSA-N 0 0 433.917 4.597 50 0 IJAARN Clc1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916400 569425081 /nfs/dbraw/zinc/42/50/81/569425081.db2.gz HNFACDIOBYDZRU-JKSUJKDBSA-N 0 0 436.684 4.682 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cc(OC)ccc2OC)c1C ZINC000002928841 569425986 /nfs/dbraw/zinc/42/59/86/569425986.db2.gz PZFOQMQVMXZSNL-UHFFFAOYSA-N 0 0 436.508 4.686 50 0 IJAARN O=C(NCc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002938438 569426394 /nfs/dbraw/zinc/42/63/94/569426394.db2.gz ZTZIZLKCYCKTFM-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN CC(C)C[C@@H]1CC(=O)N([C@]2(C(=O)NC3CCCC3)CC[C@H]3Cc4ccccc4C[C@@H]3C2)C1 ZINC000254756993 569431741 /nfs/dbraw/zinc/43/17/41/569431741.db2.gz QXIPICBQAYJCPL-PFPNGXIJSA-N 0 0 436.640 4.894 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2F)cc1 ZINC000057381125 569432763 /nfs/dbraw/zinc/43/27/63/569432763.db2.gz QEUDAGRMVFDVLN-IRXDYDNUSA-N 0 0 435.499 4.764 50 0 IJAARN O=C(c1cc(Sc2ccc(F)cc2F)nc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000002965127 569432886 /nfs/dbraw/zinc/43/28/86/569432886.db2.gz FJOOZOZQMNCTBD-UHFFFAOYSA-N 0 0 442.487 4.643 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000057417024 569434262 /nfs/dbraw/zinc/43/42/62/569434262.db2.gz DNJYGPOVRYXUMI-UHFFFAOYSA-N 0 0 439.537 4.685 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1F ZINC000057425452 569434419 /nfs/dbraw/zinc/43/44/19/569434419.db2.gz SSXFFMTZEFAHFM-UHFFFAOYSA-N 0 0 439.537 4.685 50 0 IJAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000057426053 569434503 /nfs/dbraw/zinc/43/45/03/569434503.db2.gz XURGKVNSLONGLA-UHFFFAOYSA-N 0 0 436.002 4.566 50 0 IJAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057426298 569434563 /nfs/dbraw/zinc/43/45/63/569434563.db2.gz CDHWZMOATLTHRM-UHFFFAOYSA-N 0 0 441.500 4.864 50 0 IJAARN O=C(c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)N1CCCCC1 ZINC000002997886 569435056 /nfs/dbraw/zinc/43/50/56/569435056.db2.gz NKOLNRNBBQXKJE-UHFFFAOYSA-N 0 0 434.561 4.708 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1cccs1 ZINC000057473435 569435730 /nfs/dbraw/zinc/43/57/30/569435730.db2.gz SRLWPDLJLHXLMR-UHFFFAOYSA-N 0 0 435.574 4.740 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1cccs1 ZINC000057473421 569435759 /nfs/dbraw/zinc/43/57/59/569435759.db2.gz QWPCXQHQUACJGP-UHFFFAOYSA-N 0 0 449.601 4.994 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000057477018 569435807 /nfs/dbraw/zinc/43/58/07/569435807.db2.gz ADUQLJCOCNEPJL-UHFFFAOYSA-N 0 0 426.192 4.990 50 0 IJAARN CCCCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1F ZINC000003021754 569435976 /nfs/dbraw/zinc/43/59/76/569435976.db2.gz VMSYMRMAHNTENS-UHFFFAOYSA-N 0 0 432.439 4.517 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000003024202 569436148 /nfs/dbraw/zinc/43/61/48/569436148.db2.gz YLXZWRGOQOHXSS-UHFFFAOYSA-N 0 0 445.343 4.805 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000003024923 569436193 /nfs/dbraw/zinc/43/61/93/569436193.db2.gz DNRDWYAQSIAEOB-UHFFFAOYSA-N 0 0 446.466 4.908 50 0 IJAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccc(Cl)cc4)ccc32)c1 ZINC000003026168 569436250 /nfs/dbraw/zinc/43/62/50/569436250.db2.gz RMKOISXQHMFVAU-UHFFFAOYSA-N 0 0 435.911 4.669 50 0 biogenic IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(F)cc1Cl ZINC000057486778 569436521 /nfs/dbraw/zinc/43/65/21/569436521.db2.gz OXPOJTJPWRRVFC-UHFFFAOYSA-N 0 0 445.281 4.967 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)Nc1ccccc1F ZINC000057486965 569436607 /nfs/dbraw/zinc/43/66/07/569436607.db2.gz MNBPOICWGIAJHP-UHFFFAOYSA-N 0 0 446.360 4.882 50 0 IJAARN Cc1cccc(-n2c(SCC(=O)NCCCc3ccccc3)nc3ccsc3c2=O)c1 ZINC000057487450 569436748 /nfs/dbraw/zinc/43/67/48/569436748.db2.gz PKERETZRHRGTHB-UHFFFAOYSA-N 0 0 449.601 4.597 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N[C@H]2CCc3ccccc32)c1 ZINC000057487483 569436807 /nfs/dbraw/zinc/43/68/07/569436807.db2.gz KNAOANHZJHQRGY-IBGZPJMESA-N 0 0 447.585 4.651 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl ZINC000057487770 569436833 /nfs/dbraw/zinc/43/68/33/569436833.db2.gz HPIFHCFBMFNQOI-CQSZACIVSA-N 0 0 448.013 4.984 50 0 IJAARN Cc1cc(F)ccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1F ZINC000057488853 569436982 /nfs/dbraw/zinc/43/69/82/569436982.db2.gz SKOLKSRUHVRCKY-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1C ZINC000057488782 569437003 /nfs/dbraw/zinc/43/70/03/569437003.db2.gz DWKSVXQCUVCAKO-UHFFFAOYSA-N 0 0 433.574 4.635 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(C)C)c3)c2=O)cc1C ZINC000057491267 569437324 /nfs/dbraw/zinc/43/73/24/569437324.db2.gz LVIVAJSJXKTZQM-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C(C)C)c3)c2=O)c1 ZINC000057492337 569437388 /nfs/dbraw/zinc/43/73/88/569437388.db2.gz PNRPLROVEAJMIR-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000003031228 569437594 /nfs/dbraw/zinc/43/75/94/569437594.db2.gz NORLMSGQQNKXFV-UHFFFAOYSA-N 0 0 446.931 4.942 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053816 569439331 /nfs/dbraw/zinc/43/93/31/569439331.db2.gz IXUIPPGINTYPIB-MRXNPFEDSA-N 0 0 431.941 4.658 50 0 IJAARN O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1ccccc1Cl ZINC000003063316 569439668 /nfs/dbraw/zinc/43/96/68/569439668.db2.gz MUPXEXLJDJOBBA-UHFFFAOYSA-N 0 0 427.331 4.627 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000003221391 569442015 /nfs/dbraw/zinc/44/20/15/569442015.db2.gz HHKSYUFIBZLQES-HNNXBMFYSA-N 0 0 428.583 4.520 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3F)c3ccccc3n2)cc1 ZINC000003223204 569442094 /nfs/dbraw/zinc/44/20/94/569442094.db2.gz IEQXACAYFULFDR-UHFFFAOYSA-N 0 0 448.425 4.984 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)NC2CCCCCCC2)c(C)cc1Br ZINC000003227658 569442175 /nfs/dbraw/zinc/44/21/75/569442175.db2.gz YXSWNDDSWQEUSH-UHFFFAOYSA-N 0 0 442.419 4.930 50 0 IJAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)Nc1c(F)cccc1F ZINC000003234572 569442350 /nfs/dbraw/zinc/44/23/50/569442350.db2.gz JKOQMLWXYBFJAX-UHFFFAOYSA-N 0 0 439.443 4.675 50 0 IJAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000003244295 569442671 /nfs/dbraw/zinc/44/26/71/569442671.db2.gz QBROAJDRYCMIHM-UHFFFAOYSA-N 0 0 433.361 4.779 50 0 IJAARN O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003248939 569442837 /nfs/dbraw/zinc/44/28/37/569442837.db2.gz SNXNFWGNHWTYOM-UHFFFAOYSA-N 0 0 444.270 4.726 50 0 IJAARN O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270186 569443515 /nfs/dbraw/zinc/44/35/15/569443515.db2.gz LKEMRZQFHTVMHA-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 ZINC000003280117 569443840 /nfs/dbraw/zinc/44/38/40/569443840.db2.gz QFTJUXGCXIHTNS-UHFFFAOYSA-N 0 0 430.555 4.592 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccc(C)c2)cc1 ZINC000003288179 569444164 /nfs/dbraw/zinc/44/41/64/569444164.db2.gz SJDHNUOPACYJGS-UHFFFAOYSA-N 0 0 436.581 4.746 50 0 IJAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003291459 569444415 /nfs/dbraw/zinc/44/44/15/569444415.db2.gz UMEAPHWMINEZKP-UHFFFAOYSA-N 0 0 449.816 4.586 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000003293596 569444518 /nfs/dbraw/zinc/44/45/18/569444518.db2.gz OBUYPXAUAOMPQY-UHFFFAOYSA-N 0 0 445.592 4.809 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nc3ccccc3s2)c1 ZINC000003299274 569444941 /nfs/dbraw/zinc/44/49/41/569444941.db2.gz SFPLRGKHLGWZLT-OAHLLOKOSA-N 0 0 434.542 4.667 50 0 IJAARN NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 ZINC000003309377 569445324 /nfs/dbraw/zinc/44/53/24/569445324.db2.gz ZZHAHHGTKMJWFK-UHFFFAOYSA-N 0 0 431.707 4.611 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Oc2ccccc2)c1 ZINC000003309271 569445361 /nfs/dbraw/zinc/44/53/61/569445361.db2.gz UQNIMEDOTAPQRO-UHFFFAOYSA-N 0 0 430.485 4.780 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000058024103 569445472 /nfs/dbraw/zinc/44/54/72/569445472.db2.gz AYUOTHYBRDEQTE-UHFFFAOYSA-N 0 0 447.764 4.783 50 0 IJAARN CN(C)c1cccc(C(=O)OCc2ccc(COC(=O)c3cccc(N(C)C)c3)cc2)c1 ZINC000003314332 569445652 /nfs/dbraw/zinc/44/56/52/569445652.db2.gz SZICRDAARDYBTJ-UHFFFAOYSA-N 0 0 432.520 4.533 50 0 IJAARN COc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000003322458 569446020 /nfs/dbraw/zinc/44/60/20/569446020.db2.gz XJXFWNXLBGCTNW-DEOSSOPVSA-N 0 0 445.471 4.975 50 0 IJAARN C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000003329358 569446354 /nfs/dbraw/zinc/44/63/54/569446354.db2.gz NXGJZNPOZQNBSO-INIZCTEOSA-N 0 0 435.501 4.512 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc2-c2ccc(C)cc2)cc1 ZINC000003367132 569448207 /nfs/dbraw/zinc/44/82/07/569448207.db2.gz MHQXPCQFAPROIU-RTBURBONSA-N 0 0 448.592 4.550 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000003371262 569448528 /nfs/dbraw/zinc/44/85/28/569448528.db2.gz URWYINDKXBQBBW-UHFFFAOYSA-N 0 0 445.522 4.964 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(OC(C)C)cc3)cc2)cc1 ZINC000003375510 569448611 /nfs/dbraw/zinc/44/86/11/569448611.db2.gz NDVNOKLRXZALSO-UHFFFAOYSA-N 0 0 439.533 4.827 50 0 IJAARN CCN(CCC(F)(F)F)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000058147781 569448807 /nfs/dbraw/zinc/44/88/07/569448807.db2.gz LHZSBJCCFIJXQP-VQHVLOKHSA-N 0 0 426.435 4.693 50 0 IJAARN Cc1cc(C)c(C(=O)Cn2c3cc(Cl)ccc3n(Cc3ccccc3)c(=O)c2=O)cc1C ZINC000003397562 569449469 /nfs/dbraw/zinc/44/94/69/569449469.db2.gz YVWCOMWTOMCERQ-UHFFFAOYSA-N 0 0 446.934 4.673 50 0 IJAARN CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000058174009 569449682 /nfs/dbraw/zinc/44/96/82/569449682.db2.gz AVYMPCMYLMFRNH-UHFFFAOYSA-N 0 0 435.911 4.984 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCO3)n1Cc1ccccc1 ZINC000003420825 569450447 /nfs/dbraw/zinc/45/04/47/569450447.db2.gz JQITWEHDLDWPIG-UHFFFAOYSA-N 0 0 433.489 4.599 50 0 IJAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000003451326 569451644 /nfs/dbraw/zinc/45/16/44/569451644.db2.gz FEJMYROCTSLTIW-UHFFFAOYSA-N 0 0 447.994 4.872 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cc(Cl)ccc1Cl ZINC000003483646 569452388 /nfs/dbraw/zinc/45/23/88/569452388.db2.gz VCPUGAUHYYQQOE-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN Cc1ccc(C)c(-n2c(S[C@@H]3CCOC3=O)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000003505129 569452900 /nfs/dbraw/zinc/45/29/00/569452900.db2.gz PYDMFPVHDFNMSJ-CXAGYDPISA-N 0 0 440.590 4.596 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031187307 569454551 /nfs/dbraw/zinc/45/45/51/569454551.db2.gz WHTVZVJEHSVKSA-UHFFFAOYSA-N 0 0 445.588 4.556 50 0 IJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000031269613 569455474 /nfs/dbraw/zinc/45/54/74/569455474.db2.gz MUUSNBKAXGCZTI-QHCPKHFHSA-N 0 0 446.576 4.766 50 0 IJAARN CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(CC)cccc2CC)cc1OCC ZINC000004070699 569458659 /nfs/dbraw/zinc/45/86/59/569458659.db2.gz RTUKTTSJECEUKY-FYWRMAATSA-N 0 0 425.525 4.804 50 0 IJAARN COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N3)cc1 ZINC000032070648 569459168 /nfs/dbraw/zinc/45/91/68/569459168.db2.gz RJGXGLAYCFUBJY-KRWDZBQOSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032074666 569459370 /nfs/dbraw/zinc/45/93/70/569459370.db2.gz KRXHOUUQYPJZBV-KRWDZBQOSA-N 0 0 440.887 4.701 50 0 IJAARN O=C1Nc2ccc(Cl)cc2[C@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032097181 569459975 /nfs/dbraw/zinc/45/99/75/569459975.db2.gz MUWRORNMVIBYPS-IBGZPJMESA-N 0 0 448.788 4.654 50 0 IJAARN O=C(CSc1ccccc1C(=O)NCCC12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC000007983475 569462028 /nfs/dbraw/zinc/46/20/28/569462028.db2.gz DAGJBHKXNMPCMC-UHFFFAOYSA-N 0 0 426.626 4.737 50 0 IJAARN O=c1/c(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)sc2nc3ccccc3n12 ZINC000038203432 569462371 /nfs/dbraw/zinc/46/23/71/569462371.db2.gz KYOOUOQKDDLFSK-MTJSOVHGSA-N 0 0 436.895 4.828 50 0 IJAARN Cc1cc([C@H](c2ccc(OC(F)F)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546158 569463506 /nfs/dbraw/zinc/46/35/06/569463506.db2.gz QFWIWWXYLJDNGI-IBGZPJMESA-N 0 0 448.491 4.925 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)c1C ZINC000067217190 569464938 /nfs/dbraw/zinc/46/49/38/569464938.db2.gz KCEGAEZTAKWEME-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N(C)C2CCCCC2)c1C ZINC000067217193 569464940 /nfs/dbraw/zinc/46/49/40/569464940.db2.gz FKDWPEOYURYWSW-UHFFFAOYSA-N 0 0 441.622 4.947 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000067216923 569464944 /nfs/dbraw/zinc/46/49/44/569464944.db2.gz FIKCTVGUEMNISF-IYBDPMFKSA-N 0 0 441.622 4.661 50 0 IJAARN Cc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000067245621 569465933 /nfs/dbraw/zinc/46/59/33/569465933.db2.gz FETBLEOYGFIKLE-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN COc1cccc2cc(-c3csc(Cc4nc(-c5cccc(C)c5)no4)n3)c(=O)oc21 ZINC000067246102 569465962 /nfs/dbraw/zinc/46/59/62/569465962.db2.gz BAJYWDQIMRQUGY-UHFFFAOYSA-N 0 0 431.473 4.874 50 0 IJAARN CC[C@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2)ncn1 ZINC000067255856 569466059 /nfs/dbraw/zinc/46/60/59/569466059.db2.gz YNKXAZAQLAZAHY-INIZCTEOSA-N 0 0 435.391 4.739 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccc2c(c1)OCO2 ZINC000067259425 569466277 /nfs/dbraw/zinc/46/62/77/569466277.db2.gz IEMHWAUMVNSYIO-UHFFFAOYSA-N 0 0 438.455 4.744 50 0 IJAARN Cc1ccc(C)c(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1 ZINC000067260195 569466313 /nfs/dbraw/zinc/46/63/13/569466313.db2.gz KXEAXMBRNASZEP-UHFFFAOYSA-N 0 0 431.970 4.845 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000067287998 569467350 /nfs/dbraw/zinc/46/73/50/569467350.db2.gz MTRIPGPOXUUJSU-UHFFFAOYSA-N 0 0 438.934 4.590 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000067288394 569467436 /nfs/dbraw/zinc/46/74/36/569467436.db2.gz RBAHCRSRFBFAJZ-UHFFFAOYSA-N 0 0 449.860 4.992 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cc(Cl)ccc3C)oc21 ZINC000067294079 569467856 /nfs/dbraw/zinc/46/78/56/569467856.db2.gz CHTWADJHVGYYNX-LTHSRMNQSA-N 0 0 426.900 4.544 50 0 IJAARN COc1cc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 ZINC000067295647 569467988 /nfs/dbraw/zinc/46/79/88/569467988.db2.gz NJYUKFDQELXMNB-RFBIWTDZSA-N 0 0 445.475 4.647 50 0 IJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000067299287 569468157 /nfs/dbraw/zinc/46/81/57/569468157.db2.gz KYOVHHVPBWBQFH-MEFGMAGPSA-N 0 0 428.366 4.913 50 0 IJAARN CC[C@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000067335143 569468814 /nfs/dbraw/zinc/46/88/14/569468814.db2.gz JNSPLAGEVNPGDQ-NSHDSACASA-N 0 0 437.974 4.822 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1ccc(F)cc1 ZINC000008598669 569469353 /nfs/dbraw/zinc/46/93/53/569469353.db2.gz HQMWEZAFTLZGCJ-UHFFFAOYSA-N 0 0 445.446 4.547 50 0 IJAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O ZINC000008622924 569469508 /nfs/dbraw/zinc/46/95/08/569469508.db2.gz KDOIPGUGRFZXSC-DEOSSOPVSA-N 0 0 445.991 4.601 50 0 IJAARN C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 ZINC000008722329 569471804 /nfs/dbraw/zinc/47/18/04/569471804.db2.gz XAEPHGUQAHDLDA-WLIAABOZSA-N 0 0 434.517 4.939 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC000008725268 569472168 /nfs/dbraw/zinc/47/21/68/569472168.db2.gz OYXPTZFIZXYMLX-SFHVURJKSA-N 0 0 445.519 4.730 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2ccc(-n3cccn3)cc2)nc1 ZINC000008725787 569472210 /nfs/dbraw/zinc/47/22/10/569472210.db2.gz TVXPFKIHTZFYHT-UHFFFAOYSA-N 0 0 442.610 4.513 50 0 IJAARN CC(=O)Nc1nc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cs1 ZINC000008726949 569472355 /nfs/dbraw/zinc/47/23/55/569472355.db2.gz ZDVYIHGCOLMUAS-UHFFFAOYSA-N 0 0 427.580 4.627 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000008748158 569473155 /nfs/dbraw/zinc/47/31/55/569473155.db2.gz KKDJIEKALKAMKT-OAHLLOKOSA-N 0 0 448.327 4.826 50 0 IJAARN CN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000008750110 569473350 /nfs/dbraw/zinc/47/33/50/569473350.db2.gz IBFKXXLQEGETLJ-UHFFFAOYSA-N 0 0 449.963 4.853 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008752201 569473515 /nfs/dbraw/zinc/47/35/15/569473515.db2.gz MPYZVMVAGZJJIT-LJQANCHMSA-N 0 0 427.504 4.644 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000008753274 569473693 /nfs/dbraw/zinc/47/36/93/569473693.db2.gz NDEKTFNMAUXRSD-NRFANRHFSA-N 0 0 441.531 4.640 50 0 IJAARN Fc1cccc(Cl)c1-c1nnc(-c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)o1 ZINC000008755799 569474014 /nfs/dbraw/zinc/47/40/14/569474014.db2.gz MVQYUUCKJOXSHD-UHFFFAOYSA-N 0 0 432.846 4.898 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F ZINC000008762322 569474291 /nfs/dbraw/zinc/47/42/91/569474291.db2.gz ANLPFJCETUGQBK-UHFFFAOYSA-N 0 0 428.197 4.810 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nnsc1[S@](=O)c1ccc(Cl)cc1 ZINC000008762754 569474367 /nfs/dbraw/zinc/47/43/67/569474367.db2.gz BEOPYNRQFAZJMJ-VWLOTQADSA-N 0 0 432.741 4.917 50 0 IJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc4oc(=O)ccc4c3)c(C)c21 ZINC000008764434 569474647 /nfs/dbraw/zinc/47/46/47/569474647.db2.gz WQAMGRKLOWQZCY-UHFFFAOYSA-N 0 0 429.428 4.752 50 0 biogenic IJAARN COCCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O ZINC000008791508 569476249 /nfs/dbraw/zinc/47/62/49/569476249.db2.gz CWYPYYLMNFSKHX-UHFFFAOYSA-N 0 0 433.504 4.908 50 0 biogenic IJAARN COc1ccccc1-c1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)n1-c1ccccc1 ZINC000008825320 569477330 /nfs/dbraw/zinc/47/73/30/569477330.db2.gz OOPKBZCJCHEXRZ-QZTJIDSGSA-N 0 0 436.581 4.825 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000008826121 569477488 /nfs/dbraw/zinc/47/74/88/569477488.db2.gz YOAWLQJVQAAAHX-FQEVSTJZSA-N 0 0 429.561 4.541 50 0 IJAARN CCN(CCCN1C(=O)CS[C@H]1c1ccc(OC(F)F)c(OC)c1)c1ccccc1 ZINC000008826307 569477563 /nfs/dbraw/zinc/47/75/63/569477563.db2.gz DOWKZEFPPFBZBG-NRFANRHFSA-N 0 0 436.524 4.787 50 0 IJAARN COc1cc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)ccc1OCCC(C)C ZINC000008834592 569477956 /nfs/dbraw/zinc/47/79/56/569477956.db2.gz UDLFURDCBKPLQM-UHFFFAOYSA-N 0 0 446.341 4.921 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844296 569478601 /nfs/dbraw/zinc/47/86/01/569478601.db2.gz PDKWNTOEYNPBJD-UHFFFAOYSA-N 0 0 425.444 4.555 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000008845001 569478636 /nfs/dbraw/zinc/47/86/36/569478636.db2.gz KFXUAWPBQGAULP-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)cc1 ZINC000008845297 569478774 /nfs/dbraw/zinc/47/87/74/569478774.db2.gz PENJESNWZMGDDB-VWLOTQADSA-N 0 0 449.551 4.933 50 0 IJAARN COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCc1cccnc1 ZINC000008846114 569479014 /nfs/dbraw/zinc/47/90/14/569479014.db2.gz YRCPYIQDAXFGQK-UHFFFAOYSA-N 0 0 449.447 4.973 50 0 IJAARN CCc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(OC)cc3)n2)cc1 ZINC000008851478 569479427 /nfs/dbraw/zinc/47/94/27/569479427.db2.gz QGMWCUXOYWINKF-UHFFFAOYSA-N 0 0 441.578 4.626 50 0 IJAARN O=C(CSc1nc(CC(=O)N2CCc3ccccc32)cs1)Nc1ccc(Cl)cc1 ZINC000008852420 569479464 /nfs/dbraw/zinc/47/94/64/569479464.db2.gz JSMQCXIRAYNPKN-UHFFFAOYSA-N 0 0 443.981 4.659 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000008852958 569479496 /nfs/dbraw/zinc/47/94/96/569479496.db2.gz FTEOUBLHLLANLJ-UHFFFAOYSA-N 0 0 425.579 4.980 50 0 IJAARN COc1ccccc1CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 ZINC000008854351 569479591 /nfs/dbraw/zinc/47/95/91/569479591.db2.gz PZMWTNIKBSHNDA-UHFFFAOYSA-N 0 0 432.998 4.999 50 0 IJAARN COc1ccc(NS(=O)(=O)/C=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000008855431 569479653 /nfs/dbraw/zinc/47/96/53/569479653.db2.gz NUOYRBICUUYOHJ-YPKPFQOOSA-N 0 0 443.496 4.835 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1ccc(F)c(F)c1 ZINC000008861866 569480119 /nfs/dbraw/zinc/48/01/19/569480119.db2.gz FVYBCHBDYKPTRI-UHFFFAOYSA-N 0 0 425.464 4.770 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000008862474 569480201 /nfs/dbraw/zinc/48/02/01/569480201.db2.gz WOAHISDZFLWSRQ-HNNXBMFYSA-N 0 0 429.973 4.850 50 0 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IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)CCc4ccccc4)c(=O)c23)s1 ZINC000008943345 569488775 /nfs/dbraw/zinc/48/87/75/569488775.db2.gz BTXQHJJCQZNISP-HNNXBMFYSA-N 0 0 437.590 4.632 50 0 IJAARN O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008943331 569488794 /nfs/dbraw/zinc/48/87/94/569488794.db2.gz QSVVDTJWQQVHJL-XMMPIXPASA-N 0 0 445.515 4.779 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1OCC ZINC000008959476 569490343 /nfs/dbraw/zinc/49/03/43/569490343.db2.gz YZTRLMIXFDNVIM-UHFFFAOYSA-N 0 0 426.513 4.508 50 0 IJAARN C[C@H]1CC[C@@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000040135317 569490720 /nfs/dbraw/zinc/49/07/20/569490720.db2.gz WFTGMOCJRSNAQJ-DOTOQJQBSA-N 0 0 429.549 4.511 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3C)cc2C1=O ZINC000008961157 569490948 /nfs/dbraw/zinc/49/09/48/569490948.db2.gz JZEKHFMCJFNDDO-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008965203 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COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1cc(F)cc(F)c1 ZINC000040425049 569502848 /nfs/dbraw/zinc/50/28/48/569502848.db2.gz PLNRXZOMEONERX-UHFFFAOYSA-N 0 0 430.476 4.912 50 0 IJAARN CSc1nc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009120226 569503797 /nfs/dbraw/zinc/50/37/97/569503797.db2.gz PNCGHQNANYOZJM-UHFFFAOYSA-N 0 0 441.969 4.685 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)cc1 ZINC000245342987 569504385 /nfs/dbraw/zinc/50/43/85/569504385.db2.gz AWJCTTYJUCZIFN-GCKMJXCFSA-N 0 0 448.560 4.580 50 0 IJAARN O=C(COC(=O)c1ccccc1COc1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000009125020 569504531 /nfs/dbraw/zinc/50/45/31/569504531.db2.gz KJDZSELTKJTEHQ-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000009125992 569504735 /nfs/dbraw/zinc/50/47/35/569504735.db2.gz BBOUZVADWJUXGY-UHFFFAOYSA-N 0 0 429.549 4.605 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCc4c(C)noc4C)nc3c2)cc1 ZINC000009126914 569505068 /nfs/dbraw/zinc/50/50/68/569505068.db2.gz SXINYJXFXUIGMO-UHFFFAOYSA-N 0 0 445.522 4.534 50 0 IJAARN C[C@@H](NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(F)cc1 ZINC000009126810 569505072 /nfs/dbraw/zinc/50/50/72/569505072.db2.gz SNSJPPVOGQRSSE-GFCCVEGCSA-N 0 0 434.334 4.948 50 0 IJAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000009127791 569505279 /nfs/dbraw/zinc/50/52/79/569505279.db2.gz HYUJWRVJBMOVIR-LJQANCHMSA-N 0 0 439.606 4.917 50 0 IJAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C(c1ccccc1)c1ccccc1 ZINC000009128614 569505415 /nfs/dbraw/zinc/50/54/15/569505415.db2.gz SOAYLRYPACPODA-UHFFFAOYSA-N 0 0 444.844 4.850 50 0 IJAARN COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1OC ZINC000009128788 569505503 /nfs/dbraw/zinc/50/55/03/569505503.db2.gz BCVJSLXEPIKUSD-JWGURIENSA-N 0 0 431.469 4.914 50 0 IJAARN Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 ZINC000009128995 569505659 /nfs/dbraw/zinc/50/56/59/569505659.db2.gz COWCMTJQAQANGE-QHCPKHFHSA-N 0 0 427.859 4.696 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000009130647 569506150 /nfs/dbraw/zinc/50/61/50/569506150.db2.gz ZCAIYNIXUBNWNN-UHFFFAOYSA-N 0 0 436.487 4.621 50 0 IJAARN O=C(NCCCCc1nccs1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000069419675 569506176 /nfs/dbraw/zinc/50/61/76/569506176.db2.gz YAENZPGPHBGTQW-UHFFFAOYSA-N 0 0 426.929 4.995 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000040485610 569506837 /nfs/dbraw/zinc/50/68/37/569506837.db2.gz JINCLAROTAFNQE-QHCPKHFHSA-N 0 0 429.472 4.535 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000009137048 569507151 /nfs/dbraw/zinc/50/71/51/569507151.db2.gz MVXQDENMQVYYIK-SGIRGMQISA-N 0 0 448.906 4.790 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1Cc1cc(C)ccc1C)n2C ZINC000009153589 569508166 /nfs/dbraw/zinc/50/81/66/569508166.db2.gz CRYJYEYZEBGZGF-UHFFFAOYSA-N 0 0 437.543 4.926 50 0 IJAARN COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000009158112 569508493 /nfs/dbraw/zinc/50/84/93/569508493.db2.gz AQLJFNOGTOMJGL-JOCHJYFZSA-N 0 0 443.455 4.535 50 0 IJAARN COc1ccc(-n2c(SCc3cc(C(C)=O)ccc3OC)nnc2-c2ccncc2)cc1 ZINC000009157912 569508498 /nfs/dbraw/zinc/50/84/98/569508498.db2.gz ABUSMSOZOSJJCC-UHFFFAOYSA-N 0 0 446.532 4.841 50 0 IJAARN COc1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc(OC)c1OC ZINC000009165906 569508847 /nfs/dbraw/zinc/50/88/47/569508847.db2.gz SKSMMPAFQLQITP-UHFFFAOYSA-N 0 0 437.521 4.660 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2OCC(C)(C)C1=O ZINC000009167499 569508974 /nfs/dbraw/zinc/50/89/74/569508974.db2.gz QEYFZANRWZPNAS-UHFFFAOYSA-N 0 0 430.570 4.574 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 ZINC000009167492 569509030 /nfs/dbraw/zinc/50/90/30/569509030.db2.gz SKWJSELZMWKAKL-UHFFFAOYSA-N 0 0 430.570 4.602 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)ccc1F ZINC000009169516 569509258 /nfs/dbraw/zinc/50/92/58/569509258.db2.gz UIDAGTYDSDZQLT-UHFFFAOYSA-N 0 0 448.560 4.733 50 0 IJAARN CCN1c2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc2OCC(C)(C)C1=O ZINC000009170491 569509340 /nfs/dbraw/zinc/50/93/40/569509340.db2.gz RYQQTOAXCUGINR-UHFFFAOYSA-N 0 0 444.597 4.801 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009172747 569509588 /nfs/dbraw/zinc/50/95/88/569509588.db2.gz UVLSGXPMPUBLIQ-UHFFFAOYSA-N 0 0 430.570 4.512 50 0 IJAARN Cc1c2cc(Cl)c(OCC(=O)Nc3cccnc3)cc2oc(=O)c1Cc1ccccc1 ZINC000009186422 569510156 /nfs/dbraw/zinc/51/01/56/569510156.db2.gz JCTZJUINBGLSHL-UHFFFAOYSA-N 0 0 434.879 4.758 50 0 IJAARN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000009192052 569510687 /nfs/dbraw/zinc/51/06/87/569510687.db2.gz IDOPSOZQRSYDRR-UHFFFAOYSA-N 0 0 429.370 4.659 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009192358 569510796 /nfs/dbraw/zinc/51/07/96/569510796.db2.gz GPFRFKUGFGMSLU-HSZRJFAPSA-N 0 0 426.472 4.872 50 0 IJAARN COC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2cccc(C)c2)S1 ZINC000009193066 569510802 /nfs/dbraw/zinc/51/08/02/569510802.db2.gz ZKURDKQLLCMCHF-JOCHJYFZSA-N 0 0 439.562 4.720 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccncc1 ZINC000009195721 569511012 /nfs/dbraw/zinc/51/10/12/569511012.db2.gz VUTBRXGRZIJITN-UHFFFAOYSA-N 0 0 436.566 4.523 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1-c1ccccc1 ZINC000009209281 569511583 /nfs/dbraw/zinc/51/15/83/569511583.db2.gz RDEOTLHHDGDJHE-SFHVURJKSA-N 0 0 444.560 4.912 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nncs1 ZINC000009209468 569511589 /nfs/dbraw/zinc/51/15/89/569511589.db2.gz WVGGFTJZUWWGOR-HNNXBMFYSA-N 0 0 430.272 4.701 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4ccc(C)o4)C[C@H]3c3ccco3)nc2c1 ZINC000009222903 569512855 /nfs/dbraw/zinc/51/28/55/569512855.db2.gz BBZBOUWYXUHEEY-SFHVURJKSA-N 0 0 436.493 4.536 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000009227752 569513530 /nfs/dbraw/zinc/51/35/30/569513530.db2.gz KOTHFKUDODPUOH-UHFFFAOYSA-N 0 0 441.315 4.571 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000009237147 569514190 /nfs/dbraw/zinc/51/41/90/569514190.db2.gz UWIBFTMYKONKAA-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1C ZINC000009238262 569514249 /nfs/dbraw/zinc/51/42/49/569514249.db2.gz DASANNYKMLNWFL-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238270 569514254 /nfs/dbraw/zinc/51/42/54/569514254.db2.gz FNRGXWFEFJSGLT-SFTDATJTSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1 ZINC000009238253 569514260 /nfs/dbraw/zinc/51/42/60/569514260.db2.gz YZOGMPNPODSHME-LEWJYISDSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c(C)c1 ZINC000009238305 569514310 /nfs/dbraw/zinc/51/43/10/569514310.db2.gz RMFQFMOYRKVMBC-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000009238315 569514330 /nfs/dbraw/zinc/51/43/30/569514330.db2.gz AXAHRYFXVOUNGJ-NHCUHLMSSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239423 569514578 /nfs/dbraw/zinc/51/45/78/569514578.db2.gz DPCHIFVHGDZRMS-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccncc3)sc2c1 ZINC000009239834 569514615 /nfs/dbraw/zinc/51/46/15/569514615.db2.gz DQAKBQLYHXAFAR-FQEVSTJZSA-N 0 0 425.469 4.856 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009243803 569515057 /nfs/dbraw/zinc/51/50/57/569515057.db2.gz HZFACFFPPMXGMJ-JOCHJYFZSA-N 0 0 426.472 4.559 50 0 IJAARN COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(C4CCCCC4)cc3)C2=O)cc1 ZINC000009245030 569515194 /nfs/dbraw/zinc/51/51/94/569515194.db2.gz TVCSPEMLWOXZTI-HHHXNRCGSA-N 0 0 448.563 4.869 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000009244902 569515231 /nfs/dbraw/zinc/51/52/31/569515231.db2.gz IUDOZHCPOMDUMI-UHFFFAOYSA-N 0 0 445.500 4.717 50 0 IJAARN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000009245211 569515284 /nfs/dbraw/zinc/51/52/84/569515284.db2.gz HAYYNAUPOXBHGF-UHFFFAOYSA-N 0 0 435.867 4.636 50 0 IJAARN COc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1OCc1cccc(Cl)c1 ZINC000009246509 569515429 /nfs/dbraw/zinc/51/54/29/569515429.db2.gz KNQUYGKXHYYMPP-FYJGNVAPSA-N 0 0 448.931 4.698 50 0 IJAARN Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1OC(C)C ZINC000009249845 569515499 /nfs/dbraw/zinc/51/54/99/569515499.db2.gz OXNSLBTZDAYMTH-IBGZPJMESA-N 0 0 449.576 4.642 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1oc2ccc(F)cc2c1C ZINC000009252870 569516057 /nfs/dbraw/zinc/51/60/57/569516057.db2.gz DNXWJKBNGKPLEZ-UHFFFAOYSA-N 0 0 436.439 4.763 50 0 IJAARN O=C(CN(Cc1ccco1)Cc1ccco1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009255961 569516679 /nfs/dbraw/zinc/51/66/79/569516679.db2.gz UMGYBCMYFPBYFU-SFHVURJKSA-N 0 0 435.549 4.891 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Br)cc2)o1 ZINC000009275157 569518394 /nfs/dbraw/zinc/51/83/94/569518394.db2.gz XZIHCOKQSZQZBK-UHFFFAOYSA-N 0 0 443.084 4.823 50 0 IJAARN Cc1ccccc1-n1cnnc1SCc1nnc(-c2ccccc2Br)o1 ZINC000009283656 569518910 /nfs/dbraw/zinc/51/89/10/569518910.db2.gz YOLYKPXKKFDPIQ-UHFFFAOYSA-N 0 0 428.315 4.681 50 0 IJAARN C=C1C(NCCCN(CC)Cc2ccccc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286725 569519276 /nfs/dbraw/zinc/51/92/76/569519276.db2.gz LUYSOASITSNQBK-UHFFFAOYSA-N 0 0 439.625 4.785 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(C)=O ZINC000009288464 569519433 /nfs/dbraw/zinc/51/94/33/569519433.db2.gz FXLTZKVVEIRPDB-UHFFFAOYSA-N 0 0 426.494 4.637 50 0 IJAARN CC[C@@H](C(=O)NCCc1ccc(Cl)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289172 569519523 /nfs/dbraw/zinc/51/95/23/569519523.db2.gz PNZUNWWOQQBGRB-SFHVURJKSA-N 0 0 439.968 4.883 50 0 IJAARN CCCSc1ccc2[nH]c(NC(=O)CSc3nc(SCC)ns3)nc2c1 ZINC000009290304 569519744 /nfs/dbraw/zinc/51/97/44/569519744.db2.gz WCZIFUZGDDZCGC-UHFFFAOYSA-N 0 0 425.630 4.759 50 0 IJAARN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Br)cc1 ZINC000009295564 569520368 /nfs/dbraw/zinc/52/03/68/569520368.db2.gz JJIXCEAVCAZKEK-UHFFFAOYSA-N 0 0 437.293 4.940 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCCC1 ZINC000009313576 569521952 /nfs/dbraw/zinc/52/19/52/569521952.db2.gz BRVURKIFDNHTLO-UHFFFAOYSA-N 0 0 438.549 4.695 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3ccccn32)cc1OC ZINC000009316599 569522237 /nfs/dbraw/zinc/52/22/37/569522237.db2.gz YBYAJUFVIITSBB-UHFFFAOYSA-N 0 0 443.503 4.639 50 0 IJAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c(OC)c1 ZINC000009316705 569522274 /nfs/dbraw/zinc/52/22/74/569522274.db2.gz NJSQCJQNMALAHU-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN Cc1cc(NC(=O)CN(c2cccc3ccccc32)S(=O)(=O)c2ccc(C)c(C)c2)no1 ZINC000009317981 569522418 /nfs/dbraw/zinc/52/24/18/569522418.db2.gz CEUDHLFCIYRNDX-UHFFFAOYSA-N 0 0 449.532 4.587 50 0 IJAARN CC(C)Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069877826 569522596 /nfs/dbraw/zinc/52/25/96/569522596.db2.gz HXSINJVSKYANPW-JOCHJYFZSA-N 0 0 439.604 4.957 50 0 IJAARN Cc1nc(Cc2nnc(SCC(=O)Nc3ccccc3Cc3ccccc3)o2)cs1 ZINC000009336609 569523451 /nfs/dbraw/zinc/52/34/51/569523451.db2.gz PPVSVUZQRCWAJD-UHFFFAOYSA-N 0 0 436.562 4.747 50 0 IJAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(COc4ccccc4)nc3c12 ZINC000009340652 569523844 /nfs/dbraw/zinc/52/38/44/569523844.db2.gz IHJIABJJHZXALJ-UHFFFAOYSA-N 0 0 426.505 4.874 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)Cc3cccc4ccccc43)s2)cc1 ZINC000009364257 569526027 /nfs/dbraw/zinc/52/60/27/569526027.db2.gz BMALTKJOHGQROL-UHFFFAOYSA-N 0 0 448.573 4.912 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000041076558 569526436 /nfs/dbraw/zinc/52/64/36/569526436.db2.gz IGXXZQFCQVXRII-UHFFFAOYSA-N 0 0 441.944 4.821 50 0 IJAARN CCCSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccc(Br)cc1 ZINC000009368979 569526659 /nfs/dbraw/zinc/52/66/59/569526659.db2.gz JJMUPQSRAFHQRG-UHFFFAOYSA-N 0 0 449.349 4.601 50 0 IJAARN CCN(C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1cccc2ccccc21 ZINC000009373190 569526973 /nfs/dbraw/zinc/52/69/73/569526973.db2.gz LNPFJDIXUXQORH-UHFFFAOYSA-N 0 0 427.595 4.622 50 0 IJAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000009377080 569527430 /nfs/dbraw/zinc/52/74/30/569527430.db2.gz FMZZUSNZFAQFJK-CQSZACIVSA-N 0 0 445.928 4.502 50 0 IJAARN O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(Sc3ccccn3)cc2)C2CC2)cc1 ZINC000070013367 569528497 /nfs/dbraw/zinc/52/84/97/569528497.db2.gz GBUSQGRTJBDPBB-UHFFFAOYSA-N 0 0 443.572 4.930 50 0 IJAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccccc1SC[C@@H]1CCCO1 ZINC000070017406 569528654 /nfs/dbraw/zinc/52/86/54/569528654.db2.gz VAVRWKNRGJDCKT-AWEZNQCLSA-N 0 0 426.369 4.501 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)Nc1ccccc1F ZINC000009391831 569529027 /nfs/dbraw/zinc/52/90/27/569529027.db2.gz OZMQDHXEKWETDO-UHFFFAOYSA-N 0 0 447.535 4.941 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009393176 569529092 /nfs/dbraw/zinc/52/90/92/569529092.db2.gz NQEFNWMRYDOTNC-UHFFFAOYSA-N 0 0 446.907 4.870 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000009398901 569529314 /nfs/dbraw/zinc/52/93/14/569529314.db2.gz XOIREDQSQGNDDA-KGLIPLIRSA-N 0 0 447.963 4.957 50 0 IJAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000009402969 569529412 /nfs/dbraw/zinc/52/94/12/569529412.db2.gz RUYVNRIOJSTTFM-UHFFFAOYSA-N 0 0 440.952 4.824 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@H](Nc2ccccc2Br)c2ccccc2)cc1 ZINC000009408707 569530681 /nfs/dbraw/zinc/53/06/81/569530681.db2.gz IZUHTJQKMCRPLW-NRFANRHFSA-N 0 0 445.382 4.889 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)C[C@@H]3c2ccc(O)cc2)n1 ZINC000009410323 569531327 /nfs/dbraw/zinc/53/13/27/569531327.db2.gz NXVKZNJSNBKFSJ-LJQANCHMSA-N 0 0 445.910 4.779 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c(OC)c1 ZINC000009414598 569532017 /nfs/dbraw/zinc/53/20/17/569532017.db2.gz UYQUDTASAMZUIV-NRFANRHFSA-N 0 0 438.505 4.506 50 0 IJAARN COc1ccc(-n2ccnc2SCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000009417643 569532451 /nfs/dbraw/zinc/53/24/51/569532451.db2.gz QGSAJYNHBHHNMZ-JOCHJYFZSA-N 0 0 435.574 4.940 50 0 IJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)Nc3ncccc3C)ccc2c1=O ZINC000009422704 569532907 /nfs/dbraw/zinc/53/29/07/569532907.db2.gz RPOGBULERGAZDV-UHFFFAOYSA-N 0 0 446.459 4.705 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000009427475 569533364 /nfs/dbraw/zinc/53/33/64/569533364.db2.gz MEEQERIMJCWYNI-UHFFFAOYSA-N 0 0 445.610 4.976 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)cc1 ZINC000009432737 569534411 /nfs/dbraw/zinc/53/44/11/569534411.db2.gz AQWHLKXBKWGHTJ-RPWUZVMVSA-N 0 0 448.588 4.554 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)cc1 ZINC000009432619 569534432 /nfs/dbraw/zinc/53/44/32/569534432.db2.gz NUFHUILKUUQIBM-PKTZIBPZSA-N 0 0 434.561 4.876 50 0 IJAARN O=C(CCc1ccccc1)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000009434073 569534673 /nfs/dbraw/zinc/53/46/73/569534673.db2.gz PERHYTDWYVVJFD-UHFFFAOYSA-N 0 0 434.302 4.986 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2CC(C)C)cc1OC ZINC000009440282 569535219 /nfs/dbraw/zinc/53/52/19/569535219.db2.gz ZCZDLHBKODEAHV-DEOSSOPVSA-N 0 0 437.565 4.787 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000009444009 569535785 /nfs/dbraw/zinc/53/57/85/569535785.db2.gz HHVQQPYGLINCKF-UHFFFAOYSA-N 0 0 445.588 4.563 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009458113 569536766 /nfs/dbraw/zinc/53/67/66/569536766.db2.gz WEBHSARXIHLVSS-UHFFFAOYSA-N 0 0 430.533 4.733 50 0 IJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000009461057 569536992 /nfs/dbraw/zinc/53/69/92/569536992.db2.gz MZGXICYBIOGFRC-VXKWHMMOSA-N 0 0 431.858 4.678 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000009463552 569537504 /nfs/dbraw/zinc/53/75/04/569537504.db2.gz WCNNWTHPJBFLIS-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN COc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2[C@H](C)N2CCCCC2)cc1 ZINC000009464286 569537667 /nfs/dbraw/zinc/53/76/67/569537667.db2.gz LWZJCKRYXXJVIU-SFHVURJKSA-N 0 0 448.596 4.763 50 0 IJAARN CN(C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000009465540 569537958 /nfs/dbraw/zinc/53/79/58/569537958.db2.gz XJMPLUCHTPNDIV-UHFFFAOYSA-N 0 0 432.524 4.888 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1C)c1ccccc1 ZINC000009466941 569538325 /nfs/dbraw/zinc/53/83/25/569538325.db2.gz BPFJOYCGRZBHLD-KRWDZBQOSA-N 0 0 444.560 4.795 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000009467298 569538409 /nfs/dbraw/zinc/53/84/09/569538409.db2.gz FNHGIHZGBWBQSX-CRAIPNDOSA-N 0 0 429.973 4.514 50 0 IJAARN COc1ccc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 ZINC000009476727 569539086 /nfs/dbraw/zinc/53/90/86/569539086.db2.gz MWRUHBBKUMXXML-IBGZPJMESA-N 0 0 425.579 4.628 50 0 IJAARN Cc1ccc(-c2nc3c(c(SCC(=O)NCc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000009487680 569539757 /nfs/dbraw/zinc/53/97/57/569539757.db2.gz ZSMDRXKSMYAXBT-UHFFFAOYSA-N 0 0 433.577 4.712 50 0 IJAARN O=C(CCCCCn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009487614 569539804 /nfs/dbraw/zinc/53/98/04/569539804.db2.gz WWYMRFLVKRBEDV-UHFFFAOYSA-N 0 0 438.837 4.663 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)Nc1ccc(Cl)cc1F ZINC000009491778 569540447 /nfs/dbraw/zinc/54/04/47/569540447.db2.gz KJCASKATFLDKMD-UHFFFAOYSA-N 0 0 441.713 4.758 50 0 IJAARN COc1ccc(CN(C)C(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1OC ZINC000009492609 569540660 /nfs/dbraw/zinc/54/06/60/569540660.db2.gz YMXRJQOXQCWAEO-UHFFFAOYSA-N 0 0 447.560 4.793 50 0 IJAARN O=C([C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1)N1CCCC1 ZINC000009494031 569540822 /nfs/dbraw/zinc/54/08/22/569540822.db2.gz BQFMSVITHCHBBQ-OAHLLOKOSA-N 0 0 440.878 4.857 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000009498640 569541392 /nfs/dbraw/zinc/54/13/92/569541392.db2.gz MDHUXFBUHYBUMX-UHFFFAOYSA-N 0 0 434.565 4.923 50 0 IJAARN CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1 ZINC000009500545 569541568 /nfs/dbraw/zinc/54/15/68/569541568.db2.gz NOMKTHGDECWRDO-LCUIJRPUSA-N 0 0 441.572 4.709 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000009503128 569541748 /nfs/dbraw/zinc/54/17/48/569541748.db2.gz HBIJBUHIOTWSKK-UHFFFAOYSA-N 0 0 447.535 4.877 50 0 IJAARN C[C@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)NC1CCCC1 ZINC000009503782 569541781 /nfs/dbraw/zinc/54/17/81/569541781.db2.gz KUMUBMVIIDGYAL-AWEZNQCLSA-N 0 0 445.654 4.991 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc4c(c3)OCCCO4)n2)cc1 ZINC000009503337 569541791 /nfs/dbraw/zinc/54/17/91/569541791.db2.gz JWSNUMCJSPNDMB-UHFFFAOYSA-N 0 0 428.535 4.711 50 0 IJAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2-c2nc3ccccc3s2)CC1 ZINC000009506884 569541924 /nfs/dbraw/zinc/54/19/24/569541924.db2.gz LDFVZBXKNJJPTP-UHFFFAOYSA-N 0 0 427.529 4.562 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC1CCCCC1 ZINC000009508229 569542247 /nfs/dbraw/zinc/54/22/47/569542247.db2.gz HNBWUFYIUAANJO-UHFFFAOYSA-N 0 0 430.961 4.781 50 0 IJAARN O=C(Nc1nc(CN2CCCCC2)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000009513172 569543071 /nfs/dbraw/zinc/54/30/71/569543071.db2.gz SLIGIJDTEPYCQL-UHFFFAOYSA-N 0 0 430.430 4.767 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nnc(NCc3ccco3)s2)c2ccccc2S1 ZINC000009514723 569543273 /nfs/dbraw/zinc/54/32/73/569543273.db2.gz PNOMSZNSFXJLBJ-CYBMUJFWSA-N 0 0 432.596 4.753 50 0 IJAARN COCCNC(=O)CSc1ccccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000009515042 569543281 /nfs/dbraw/zinc/54/32/81/569543281.db2.gz HUBQDBIUIHCJOF-LJQANCHMSA-N 0 0 448.588 4.699 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009516656 569543474 /nfs/dbraw/zinc/54/34/74/569543474.db2.gz NTLPCOVFFVIALL-MRXNPFEDSA-N 0 0 427.913 4.611 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1Cl ZINC000009517660 569543675 /nfs/dbraw/zinc/54/36/75/569543675.db2.gz WYCCNPKKWLSVDO-UHFFFAOYSA-N 0 0 427.892 4.647 50 0 IJAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009530703 569545026 /nfs/dbraw/zinc/54/50/26/569545026.db2.gz MJARKIUGZZPHII-HNNXBMFYSA-N 0 0 435.911 4.656 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(SCc4cccc5ccccc54)n3N)n[nH]2)cc1 ZINC000009541633 569545899 /nfs/dbraw/zinc/54/58/99/569545899.db2.gz WHXXZTPARHTSRQ-UHFFFAOYSA-N 0 0 428.521 4.503 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000009543515 569545931 /nfs/dbraw/zinc/54/59/31/569545931.db2.gz OYXQMHUEOFYWQO-UHFFFAOYSA-N 0 0 431.536 4.916 50 0 IJAARN COc1ccc(-c2cc(-c3cc(C)ccc3C)nc3sc(C(N)=O)c(N)c32)cc1OC ZINC000009543072 569545939 /nfs/dbraw/zinc/54/59/39/569545939.db2.gz VNXDIBKZCKFXPP-UHFFFAOYSA-N 0 0 433.533 4.945 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000009556518 569546838 /nfs/dbraw/zinc/54/68/38/569546838.db2.gz ORDKJBPSRJSXGH-SFTDATJTSA-N 0 0 442.559 4.964 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)CCc2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000009559031 569546871 /nfs/dbraw/zinc/54/68/71/569546871.db2.gz PWUBXWSQBXMQHI-UHFFFAOYSA-N 0 0 446.528 4.552 50 0 IJAARN Cc1cccc(-c2nc3scc(CCNC(=O)c4ccc(Br)cc4)n3n2)c1 ZINC000009568874 569547467 /nfs/dbraw/zinc/54/74/67/569547467.db2.gz VYSJSERYZRYDOH-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN CCOc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000009578794 569548392 /nfs/dbraw/zinc/54/83/92/569548392.db2.gz VXXDZMJNCVVNPH-UHFFFAOYSA-N 0 0 436.986 4.692 50 0 IJAARN Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NC3CC3)nnc2-c2cccc(Cl)c2)c1 ZINC000009581194 569549118 /nfs/dbraw/zinc/54/91/18/569549118.db2.gz REOOFXPGQGYMNW-OAHLLOKOSA-N 0 0 426.973 4.964 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009587007 569549722 /nfs/dbraw/zinc/54/97/22/569549722.db2.gz WHWNCSUCDLJRSN-UHFFFAOYSA-N 0 0 448.850 4.791 50 0 IJAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000009586788 569549750 /nfs/dbraw/zinc/54/97/50/569549750.db2.gz YRFXYQJRBYEJRS-UHFFFAOYSA-N 0 0 445.422 4.875 50 0 IJAARN Cc1nc2cc(NC(=O)[C@H]3CCCN(Cc4nc(-c5cccs5)no4)C3)ccc2s1 ZINC000070655805 569550067 /nfs/dbraw/zinc/55/00/67/569550067.db2.gz RXSCEXCCMSKCAN-AWEZNQCLSA-N 0 0 439.566 4.567 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H]4CCOC(C)(C)C4)c(=O)oc3c2C)c1C ZINC000070666488 569550634 /nfs/dbraw/zinc/55/06/34/569550634.db2.gz OTUKANUYMRTLGH-QGZVFWFLSA-N 0 0 425.525 4.779 50 0 biogenic IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009598516 569551022 /nfs/dbraw/zinc/55/10/22/569551022.db2.gz KFBFLYPXRSGIFM-XZOQPEGZSA-N 0 0 432.907 4.824 50 0 IJAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000009599779 569551327 /nfs/dbraw/zinc/55/13/27/569551327.db2.gz HUGNIRIWTPJSJQ-UHFFFAOYSA-N 0 0 436.349 4.890 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)N[C@H](C)c3ccccc3)c(C)n2n1 ZINC000009609744 569552406 /nfs/dbraw/zinc/55/24/06/569552406.db2.gz QNWOKFAWWXDTMN-QGZVFWFLSA-N 0 0 428.536 4.832 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccc(C(C)=O)cc3)c(C)n2n1 ZINC000009609774 569552425 /nfs/dbraw/zinc/55/24/25/569552425.db2.gz IJIDXPDDYRPDPO-UHFFFAOYSA-N 0 0 442.519 4.796 50 0 IJAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc1OC ZINC000009610397 569552506 /nfs/dbraw/zinc/55/25/06/569552506.db2.gz ZJRDEXLGAOSTPP-UHFFFAOYSA-N 0 0 436.899 4.960 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc3oc2=O)cc1 ZINC000009610704 569552572 /nfs/dbraw/zinc/55/25/72/569552572.db2.gz NYCAGLPUSIBAQK-UHFFFAOYSA-N 0 0 447.512 4.803 50 0 IJAARN COc1ccccc1Cn1cc(C(=O)c2ccc(C)c(C)c2)c(=O)c2cc3c(cc21)OCO3 ZINC000009610773 569552633 /nfs/dbraw/zinc/55/26/33/569552633.db2.gz UMEGFWHIZAENAW-UHFFFAOYSA-N 0 0 441.483 4.635 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009613808 569553090 /nfs/dbraw/zinc/55/30/90/569553090.db2.gz WZSRDUYSDDWDJA-UHFFFAOYSA-N 0 0 438.480 4.580 50 0 IJAARN Cc1cccc(NC(=O)Nc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)c1 ZINC000009625666 569553532 /nfs/dbraw/zinc/55/35/32/569553532.db2.gz BXUGURIQBRAVFB-UHFFFAOYSA-N 0 0 428.945 4.650 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)no1 ZINC000009631869 569553880 /nfs/dbraw/zinc/55/38/80/569553880.db2.gz BVOZOYSQOKODMZ-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN CC[C@@H](C)c1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC(=O)NC2CC2)cc1 ZINC000009632548 569554038 /nfs/dbraw/zinc/55/40/38/569554038.db2.gz VECPPKIOZOSXOW-CQSZACIVSA-N 0 0 441.984 4.923 50 0 IJAARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC(F)F ZINC000009634867 569554502 /nfs/dbraw/zinc/55/45/02/569554502.db2.gz ZRIMWUBHMGLPIV-GFCCVEGCSA-N 0 0 448.447 4.604 50 0 IJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000009637793 569554836 /nfs/dbraw/zinc/55/48/36/569554836.db2.gz ODOCLKFOTSGAOV-UHFFFAOYSA-N 0 0 434.883 4.684 50 0 IJAARN CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)cc1 ZINC000009640938 569555534 /nfs/dbraw/zinc/55/55/34/569555534.db2.gz HMUOLFHLESJZDN-UHFFFAOYSA-N 0 0 438.528 4.692 50 0 IJAARN Cc1ccc(Cl)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1Cl ZINC000009642529 569555840 /nfs/dbraw/zinc/55/58/40/569555840.db2.gz NKLGBBKDJMTUNM-JTQLQIEISA-N 0 0 436.364 4.837 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2CC(C)C)cc1 ZINC000009644619 569556052 /nfs/dbraw/zinc/55/60/52/569556052.db2.gz YDBIFMUIJCBYTF-NRFANRHFSA-N 0 0 436.581 4.722 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1C ZINC000009646537 569556301 /nfs/dbraw/zinc/55/63/01/569556301.db2.gz OUIVYQURYRVDLW-INIZCTEOSA-N 0 0 435.549 4.634 50 0 IJAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000009646898 569556407 /nfs/dbraw/zinc/55/64/07/569556407.db2.gz MJCRDYIRXLDZMJ-SFHVURJKSA-N 0 0 439.762 4.662 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000009647743 569556449 /nfs/dbraw/zinc/55/64/49/569556449.db2.gz LWWVSSAQPVLFAW-QGZVFWFLSA-N 0 0 438.487 4.819 50 0 IJAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc(OC)c1OC ZINC000009660222 569556680 /nfs/dbraw/zinc/55/66/80/569556680.db2.gz GGFTUVZKLDOBDE-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)c2O1 ZINC000009659747 569556689 /nfs/dbraw/zinc/55/66/89/569556689.db2.gz GZDLHZMTQRPFPP-UHFFFAOYSA-N 0 0 431.488 4.638 50 0 IJAARN COc1cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)cc(OC)c1OC ZINC000009660254 569556773 /nfs/dbraw/zinc/55/67/73/569556773.db2.gz QQDJPUMBLPLGFC-UHFFFAOYSA-N 0 0 449.434 4.877 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cccc(N(C)C)c1)oc1ccccc12 ZINC000009664202 569557368 /nfs/dbraw/zinc/55/73/68/569557368.db2.gz XAGYBJSJKNJSGM-HNNXBMFYSA-N 0 0 432.476 4.845 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccncc2)cc1 ZINC000009665071 569557554 /nfs/dbraw/zinc/55/75/54/569557554.db2.gz IKULOAWIOKAXCQ-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2cccc(C)c2)cc1 ZINC000009665587 569557575 /nfs/dbraw/zinc/55/75/75/569557575.db2.gz ZGHZLWDLVUIRNI-UHFFFAOYSA-N 0 0 449.536 4.669 50 0 IJAARN CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000009666229 569557712 /nfs/dbraw/zinc/55/77/12/569557712.db2.gz TXSLOZLMKSHKQN-UHFFFAOYSA-N 0 0 443.617 4.684 50 0 IJAARN COc1ccc(C(C)=O)cc1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009672074 569558711 /nfs/dbraw/zinc/55/87/11/569558711.db2.gz YNKNIMAHIPZRFP-UHFFFAOYSA-N 0 0 437.517 4.506 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N[C@@H](C)c1ccccc1 ZINC000009673135 569558846 /nfs/dbraw/zinc/55/88/46/569558846.db2.gz XOVHSGNUAAEEGR-SFHVURJKSA-N 0 0 440.565 4.797 50 0 IJAARN Cc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)C1CCCCC1 ZINC000009673735 569558952 /nfs/dbraw/zinc/55/89/52/569558952.db2.gz XHYUPXLYSRCIJI-QHCPKHFHSA-N 0 0 439.581 4.625 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCCCOC)[nH]2)cc1 ZINC000009674166 569559198 /nfs/dbraw/zinc/55/91/98/569559198.db2.gz UWIWOOCRQBNCIC-UHFFFAOYSA-N 0 0 443.544 4.526 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679248 569559920 /nfs/dbraw/zinc/55/99/20/569559920.db2.gz SRXOWIZNEFDOAB-XMMPIXPASA-N 0 0 439.471 4.709 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 ZINC000009686613 569560792 /nfs/dbraw/zinc/56/07/92/569560792.db2.gz GAMWCORSPNBYAA-UHFFFAOYSA-N 0 0 435.578 4.921 50 0 IJAARN CS(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000009689992 569560973 /nfs/dbraw/zinc/56/09/73/569560973.db2.gz ZOWWFMVRRUVNMC-UHFFFAOYSA-N 0 0 430.913 4.586 50 0 IJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000009703562 569561360 /nfs/dbraw/zinc/56/13/60/569561360.db2.gz PAUAHYVUOUKRTG-QFIPXVFZSA-N 0 0 435.545 4.566 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1cccc(Cl)c1Cl ZINC000009707829 569561721 /nfs/dbraw/zinc/56/17/21/569561721.db2.gz DDAJZBDNGFWISG-UHFFFAOYSA-N 0 0 434.308 4.689 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000009708336 569561948 /nfs/dbraw/zinc/56/19/48/569561948.db2.gz DTAPGFVVFHYJLZ-HXUWFJFHSA-N 0 0 439.968 4.569 50 0 IJAARN Cc1cc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)ccc1N1CCCC1 ZINC000009711909 569562081 /nfs/dbraw/zinc/56/20/81/569562081.db2.gz CGGXUNBPPOVZEK-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccnn2C2CCCC2)n1-c1ccccc1 ZINC000009712193 569562164 /nfs/dbraw/zinc/56/21/64/569562164.db2.gz BRCRYAAHRHMILE-UHFFFAOYSA-N 0 0 448.552 4.878 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc2ccccc2c1 ZINC000009714631 569562843 /nfs/dbraw/zinc/56/28/43/569562843.db2.gz QHUNZSKMLSPETD-UHFFFAOYSA-N 0 0 430.533 4.698 50 0 IJAARN Cc1nc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2s1 ZINC000009714773 569562878 /nfs/dbraw/zinc/56/28/78/569562878.db2.gz YPXDAXBVTRDFIQ-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN CCCn1c(=O)c2ccccc2nc1SCc1cc2c(cc1Br)OCO2 ZINC000009726909 569563925 /nfs/dbraw/zinc/56/39/25/569563925.db2.gz IDLMWLBRLVYFSU-UHFFFAOYSA-N 0 0 433.327 4.590 50 0 IJAARN CN(C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)[C@H]1CCCc2ccccc21 ZINC000009727306 569563971 /nfs/dbraw/zinc/56/39/71/569563971.db2.gz CNZJBRBDDVJNOD-NRFANRHFSA-N 0 0 429.545 4.661 50 0 IJAARN CN(C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)[C@@H]1CCCc2ccccc21 ZINC000009727303 569563998 /nfs/dbraw/zinc/56/39/98/569563998.db2.gz CNZJBRBDDVJNOD-OAQYLSRUSA-N 0 0 429.545 4.661 50 0 IJAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3Br)n2)c(C)n1C1CC1 ZINC000009727424 569564029 /nfs/dbraw/zinc/56/40/29/569564029.db2.gz NHPNFZTUAQVHAY-UHFFFAOYSA-N 0 0 431.359 4.962 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009731308 569564558 /nfs/dbraw/zinc/56/45/58/569564558.db2.gz MSVIWZQOICAUBV-KRWDZBQOSA-N 0 0 432.933 4.810 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)C(C)C)n1-n1cccc1 ZINC000009738454 569564886 /nfs/dbraw/zinc/56/48/86/569564886.db2.gz TVSXODZSSHWVIV-UHFFFAOYSA-N 0 0 447.564 4.600 50 0 IJAARN Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCc4ccc(Cl)cc4)nn32)c1 ZINC000009745806 569565705 /nfs/dbraw/zinc/56/57/05/569565705.db2.gz WEMBVHXFXAJNNK-UHFFFAOYSA-N 0 0 434.931 4.578 50 0 IJAARN Cc1ccc(C)c(OC[C@H](O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C ZINC000009746979 569565790 /nfs/dbraw/zinc/56/57/90/569565790.db2.gz XDHRDUWBFVJGGT-SFHVURJKSA-N 0 0 427.545 4.876 50 0 IJAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000009749486 569566003 /nfs/dbraw/zinc/56/60/03/569566003.db2.gz UCJPYLQDRFVGSA-UHFFFAOYSA-N 0 0 443.475 4.952 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000009762497 569566524 /nfs/dbraw/zinc/56/65/24/569566524.db2.gz XHPHZXLVKOOEKQ-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)n1 ZINC000009781422 569567564 /nfs/dbraw/zinc/56/75/64/569567564.db2.gz SMZYIEMGLIBDRS-INIZCTEOSA-N 0 0 426.563 4.952 50 0 IJAARN CS(=O)(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000009781637 569567646 /nfs/dbraw/zinc/56/76/46/569567646.db2.gz INSYAXJUKFRMIH-XMMPIXPASA-N 0 0 442.544 4.650 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 ZINC000009783448 569567841 /nfs/dbraw/zinc/56/78/41/569567841.db2.gz XVLDSTUWZAIYDW-DEOSSOPVSA-N 0 0 426.520 4.856 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000009784888 569567889 /nfs/dbraw/zinc/56/78/89/569567889.db2.gz LYTHKHZREDNLSM-UHFFFAOYSA-N 0 0 428.901 4.824 50 0 IJAARN CN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000009790992 569568221 /nfs/dbraw/zinc/56/82/21/569568221.db2.gz WOAWRVCJKXVZAP-QFIPXVFZSA-N 0 0 432.593 4.832 50 0 IJAARN COc1cccc(-c2nc(CSc3nnnn3-c3ccc(C)c(C)c3)cs2)c1OC ZINC000009793607 569568328 /nfs/dbraw/zinc/56/83/28/569568328.db2.gz LDMAPJGUTDLXHV-UHFFFAOYSA-N 0 0 439.566 4.712 50 0 IJAARN Cc1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)NC2=S)cc1C ZINC000009805343 569568706 /nfs/dbraw/zinc/56/87/06/569568706.db2.gz IGBMRWYEYUGZCF-LSCVHKIXSA-N 0 0 426.339 4.809 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000009805342 569568730 /nfs/dbraw/zinc/56/87/30/569568730.db2.gz BRFLCXLJSXHXFJ-CQSZACIVSA-N 0 0 442.566 4.617 50 0 IJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009817458 569569249 /nfs/dbraw/zinc/56/92/49/569569249.db2.gz GODWHZPTRIOENG-NRFANRHFSA-N 0 0 448.592 4.744 50 0 IJAARN Cc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)n3n2)cc1 ZINC000009829097 569569916 /nfs/dbraw/zinc/56/99/16/569569916.db2.gz MLLVZFZICBBSJU-UHFFFAOYSA-N 0 0 443.454 4.849 50 0 IJAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(s2)c(OC)ccc3OC)c1 ZINC000009829771 569570155 /nfs/dbraw/zinc/57/01/55/569570155.db2.gz IXELFGYLVPQCGA-UHFFFAOYSA-N 0 0 435.505 4.564 50 0 IJAARN CCN(CCNC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1)c1ccccc1 ZINC000009848284 569571277 /nfs/dbraw/zinc/57/12/77/569571277.db2.gz UXXDGVWXQRFJTI-UHFFFAOYSA-N 0 0 436.625 4.772 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1 ZINC000009858936 569571753 /nfs/dbraw/zinc/57/17/53/569571753.db2.gz WPVYAEVZLTXJAL-UHFFFAOYSA-N 0 0 433.529 4.590 50 0 IJAARN CCN(CC)C(=O)CSc1nc(-c2ccccc2)nc2c1Cc1cccc(OC)c1O2 ZINC000009859348 569571790 /nfs/dbraw/zinc/57/17/90/569571790.db2.gz IBYBBHLDDXVVGA-UHFFFAOYSA-N 0 0 435.549 4.809 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000009863480 569572046 /nfs/dbraw/zinc/57/20/46/569572046.db2.gz XZUZEDZWKGHMKB-GFCCVEGCSA-N 0 0 445.595 4.665 50 0 IJAARN O=C(CCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009863853 569572115 /nfs/dbraw/zinc/57/21/15/569572115.db2.gz TXQUBTACADMUEZ-UHFFFAOYSA-N 0 0 446.591 4.958 50 0 IJAARN O=C(COc1ccc2ccccc2c1)Nc1ccnn1Cc1cc(Br)cs1 ZINC000009873082 569572476 /nfs/dbraw/zinc/57/24/76/569572476.db2.gz GOLSQTHKUAYQEX-UHFFFAOYSA-N 0 0 442.338 4.926 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@@H]3CCCc4ccccc43)nc2n1 ZINC000009873853 569572575 /nfs/dbraw/zinc/57/25/75/569572575.db2.gz USPYHHJQSNLUHN-JOCHJYFZSA-N 0 0 443.576 4.841 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900983 569573065 /nfs/dbraw/zinc/57/30/65/569573065.db2.gz WAZCLRBXDBOWAB-NRFANRHFSA-N 0 0 444.362 4.814 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)n2ncnc2N1 ZINC000009905470 569573069 /nfs/dbraw/zinc/57/30/69/569573069.db2.gz ATXBCMGKVXACRP-QGZVFWFLSA-N 0 0 444.720 4.622 50 0 IJAARN O=C(c1cccc(Cl)c1)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907573 569573167 /nfs/dbraw/zinc/57/31/67/569573167.db2.gz ZLGTXJBBEMLOIN-UHFFFAOYSA-N 0 0 429.958 4.967 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2cc(C)cc(C)c2)cc1 ZINC000009908154 569573198 /nfs/dbraw/zinc/57/31/98/569573198.db2.gz JXLMOWAWGWMGOW-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1OC ZINC000071279891 569573568 /nfs/dbraw/zinc/57/35/68/569573568.db2.gz DONPZVFIVGYLDJ-MRXNPFEDSA-N 0 0 429.517 4.611 50 0 IJAARN COc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)c1C ZINC000009940808 569573961 /nfs/dbraw/zinc/57/39/61/569573961.db2.gz BPFQCVTVPWQPBE-UHFFFAOYSA-N 0 0 448.552 4.653 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1cccc(Cl)c1C ZINC000009940626 569573984 /nfs/dbraw/zinc/57/39/84/569573984.db2.gz CVJMQOAHLARPAZ-UHFFFAOYSA-N 0 0 445.335 4.962 50 0 IJAARN CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000009942348 569574055 /nfs/dbraw/zinc/57/40/55/569574055.db2.gz TZVOHSNURPUJDL-KRWDZBQOSA-N 0 0 429.908 4.720 50 0 IJAARN COc1ccc(C(=O)n2nc(NCc3ccc(C)cc3)nc2NCc2ccc(C)cc2)cc1 ZINC000009948617 569574125 /nfs/dbraw/zinc/57/41/25/569574125.db2.gz SODYAHLQEIGPKQ-UHFFFAOYSA-N 0 0 441.535 4.816 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1csc(-c2ccccc2)n1 ZINC000009949971 569574335 /nfs/dbraw/zinc/57/43/35/569574335.db2.gz XZIWOKVVJYEXEL-UHFFFAOYSA-N 0 0 447.516 4.693 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000009951515 569574525 /nfs/dbraw/zinc/57/45/25/569574525.db2.gz MGONROWWZUUESI-UHFFFAOYSA-N 0 0 434.949 4.838 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)c1 ZINC000009959547 569575186 /nfs/dbraw/zinc/57/51/86/569575186.db2.gz IXQHCLQOVRZFEO-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN Cc1ccc(C(=O)c2cnc3cc4c(cc3c2S(=O)(=O)c2ccc(C)cc2)OCO4)cc1 ZINC000009969346 569576009 /nfs/dbraw/zinc/57/60/09/569576009.db2.gz FRMJWYABZMIKBW-UHFFFAOYSA-N 0 0 445.496 4.644 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000009982918 569576541 /nfs/dbraw/zinc/57/65/41/569576541.db2.gz YBJLWLLDPWZALM-SFHVURJKSA-N 0 0 444.560 4.912 50 0 IJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O ZINC000009983894 569576586 /nfs/dbraw/zinc/57/65/86/569576586.db2.gz PCNKFSULYAFBBQ-FQEVSTJZSA-N 0 0 433.316 4.858 50 0 IJAARN CCCCCOC(=O)c1ccc(OC(=O)c2sc3ncn(CCC)c(=O)c3c2C)cc1 ZINC000010013080 569577057 /nfs/dbraw/zinc/57/70/57/569577057.db2.gz DBPAVGXGICDBKO-UHFFFAOYSA-N 0 0 442.537 4.743 50 0 IJAARN Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cccc1-c1nc2ccccc2o1 ZINC000010035162 569577397 /nfs/dbraw/zinc/57/73/97/569577397.db2.gz VBFAVQUSFNWTRS-UHFFFAOYSA-N 0 0 445.500 4.701 50 0 IJAARN Cc1ccc(-c2noc(CSc3nnc([C@@H](C)N(C)C)n3-c3ccc(F)cc3)n2)cc1 ZINC000010037312 569577429 /nfs/dbraw/zinc/57/74/29/569577429.db2.gz ZIBUEFJRVDZOFO-OAHLLOKOSA-N 0 0 438.532 4.680 50 0 IJAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000010062658 569577583 /nfs/dbraw/zinc/57/75/83/569577583.db2.gz RAFBEHXDKTYBBO-UHFFFAOYSA-N 0 0 440.425 4.820 50 0 IJAARN CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000010077798 569577632 /nfs/dbraw/zinc/57/76/32/569577632.db2.gz KBEUUSCSCSNCBQ-UHFFFAOYSA-N 0 0 438.549 4.766 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc(OCC)c1OCC ZINC000010127892 569577998 /nfs/dbraw/zinc/57/79/98/569577998.db2.gz XROFCVAKAXVNTO-UHFFFAOYSA-N 0 0 443.525 4.703 50 0 IJAARN Cc1cccc(C)c1NC(=O)C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000010166179 569578208 /nfs/dbraw/zinc/57/82/08/569578208.db2.gz ILLJKSLWNJBKBD-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN O=C(CNc1ccccc1I)N[C@@H](c1cccs1)c1ccccc1 ZINC000010179490 569578316 /nfs/dbraw/zinc/57/83/16/569578316.db2.gz DHLAHSVAKOKMSA-LJQANCHMSA-N 0 0 448.329 4.670 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1 ZINC000010186537 569578389 /nfs/dbraw/zinc/57/83/89/569578389.db2.gz QECMBFITIRHQMU-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000010187633 569578660 /nfs/dbraw/zinc/57/86/60/569578660.db2.gz UBJDZZYMQHAVHA-UHFFFAOYSA-N 0 0 437.908 4.963 50 0 IJAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000010187635 569578674 /nfs/dbraw/zinc/57/86/74/569578674.db2.gz KVGQZNZGKBFXFN-IBGZPJMESA-N 0 0 437.908 4.718 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000010187834 569578767 /nfs/dbraw/zinc/57/87/67/569578767.db2.gz LUOPVQPDRCBCHY-UHFFFAOYSA-N 0 0 427.209 4.873 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000010188172 569578816 /nfs/dbraw/zinc/57/88/16/569578816.db2.gz GRVONGNIHBMJHU-UHFFFAOYSA-N 0 0 431.923 4.761 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233048 569579441 /nfs/dbraw/zinc/57/94/41/569579441.db2.gz HKWMSNHEDDEFGQ-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010233243 569579552 /nfs/dbraw/zinc/57/95/52/569579552.db2.gz YFAZACTVWKZOOK-UHFFFAOYSA-N 0 0 443.455 4.761 50 0 IJAARN O=C(CNC(=O)c1ccc(Cl)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000010235891 569579715 /nfs/dbraw/zinc/57/97/15/569579715.db2.gz DLKUONMHRHUGIO-UHFFFAOYSA-N 0 0 448.375 4.739 50 0 IJAARN COc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4ccccc4O)CC3)ccc2c1 ZINC000010293724 569580536 /nfs/dbraw/zinc/58/05/36/569580536.db2.gz WWNQWCBMSFFOEI-KRWDZBQOSA-N 0 0 432.520 4.535 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000010309487 569580619 /nfs/dbraw/zinc/58/06/19/569580619.db2.gz IMVYTIHRZWYFCS-UHFFFAOYSA-N 0 0 449.557 4.756 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cc(C)cc4C)ccc32)cc1 ZINC000010327719 569581027 /nfs/dbraw/zinc/58/10/27/569581027.db2.gz ZCYRXCVHURPVDV-UHFFFAOYSA-N 0 0 434.561 4.924 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000010337230 569581192 /nfs/dbraw/zinc/58/11/92/569581192.db2.gz STCLGWFSLHMGBE-UHFFFAOYSA-N 0 0 426.519 4.667 50 0 IJAARN COc1cccc(C(=O)N(CCCn2ccnc2)c2nc3c(cccc3C)s2)c1OC ZINC000010381537 569581597 /nfs/dbraw/zinc/58/15/97/569581597.db2.gz OQMCEBGQMOVXPO-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc(Cl)c1OC(C)C ZINC000010444696 569582243 /nfs/dbraw/zinc/58/22/43/569582243.db2.gz WSKXAMSZHJQTJT-UHFFFAOYSA-N 0 0 430.932 4.627 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000010445446 569582255 /nfs/dbraw/zinc/58/22/55/569582255.db2.gz VIXPLOBEHFOSNS-UHFFFAOYSA-N 0 0 432.495 4.896 50 0 IJAARN CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(C)C ZINC000036046161 569583070 /nfs/dbraw/zinc/58/30/70/569583070.db2.gz BGWQMDDDOYWIOS-UHFFFAOYSA-N 0 0 446.595 5.494 50 0 IJAARN COC(=O)c1ccc2nc(NC(=O)c3cc(Br)ccc3Cl)sc2c1 ZINC000008904218 569583607 /nfs/dbraw/zinc/58/36/07/569583607.db2.gz WAIVWUOZGWZVIS-UHFFFAOYSA-N 0 0 425.691 4.751 50 0 IJAARN CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nc2ccccc2s1 ZINC000020734275 569584970 /nfs/dbraw/zinc/58/49/70/569584970.db2.gz MMYGWPOPXCJLOW-OAHLLOKOSA-N 0 0 425.535 4.533 50 0 IJAARN O=c1c(-c2nc(-c3ccccc3Cl)no2)cccn1Cc1noc(C2CCCCC2)n1 ZINC000077100871 569585513 /nfs/dbraw/zinc/58/55/13/569585513.db2.gz BAQLSOLLSBJREI-UHFFFAOYSA-N 0 0 437.887 4.698 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000077101162 569585567 /nfs/dbraw/zinc/58/55/67/569585567.db2.gz UOUJHDQJORWEOT-UHFFFAOYSA-N 0 0 429.442 4.897 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1ccc3c(c1)OCO3)cc2-c1ccccc1 ZINC000045992380 569586933 /nfs/dbraw/zinc/58/69/33/569586933.db2.gz DZRNXLROCSZNSC-MRXNPFEDSA-N 0 0 444.491 4.561 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCC2)[C@@H]1C ZINC000021809032 569587168 /nfs/dbraw/zinc/58/71/68/569587168.db2.gz ZCGVSAORKMFJKO-MWWFNGASSA-N 0 0 427.614 4.801 50 0 IJAARN Cc1ccc(Cc2cnc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)s2)cc1F ZINC000195582510 569588118 /nfs/dbraw/zinc/58/81/18/569588118.db2.gz IRSSVECJLFTNCI-HXUWFJFHSA-N 0 0 429.492 4.926 50 0 IJAARN COc1ccc(C2=N/C(=C\c3cc(Br)c(OC(C)C)c(OC)c3)C(=O)O2)cc1 ZINC000000623269 193859745 /nfs/dbraw/zinc/85/97/45/193859745.db2.gz YUNQQXXCCZRVLS-YVLHZVERSA-N 0 0 446.297 4.598 50 0 IJAARN Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)/c(=N/C(=O)c3ccccc3)s2)cc1 ZINC000000653407 193873333 /nfs/dbraw/zinc/87/33/33/193873333.db2.gz QKYHFXAOSBGDDO-BZZOAKBMSA-N 0 0 433.920 4.868 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)cc1 ZINC000000655243 193874242 /nfs/dbraw/zinc/87/42/42/193874242.db2.gz PCLFJIZILWJZBL-JOCHJYFZSA-N 0 0 431.389 4.631 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006286471 193895981 /nfs/dbraw/zinc/89/59/81/193895981.db2.gz FDJILNKMTUSLSI-ASXFNGKXSA-N 0 0 429.004 4.913 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)sc2c1 ZINC000009847984 193906397 /nfs/dbraw/zinc/90/63/97/193906397.db2.gz LVUBWIKRGFXZOT-UHFFFAOYSA-N 0 0 429.973 4.881 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(OC)c3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000096274263 193950422 /nfs/dbraw/zinc/95/04/22/193950422.db2.gz MLRAONDGCOPQRT-XMMPIXPASA-N 0 0 448.494 4.679 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12 ZINC000009139417 132227109 /nfs/dbraw/zinc/22/71/09/132227109.db2.gz DCRCNDREGLIYFY-UHFFFAOYSA-N 0 0 436.512 4.623 50 0 IJAARN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CC[C@@]2(C)C(=O)CC=C12 ZINC000000643116 132228240 /nfs/dbraw/zinc/22/82/40/132228240.db2.gz KSTNJOSHCYXRCE-RUZDIDTESA-N 0 0 435.545 4.665 50 0 IJAARN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CC[C@]2(C)C(=O)CC[C@H]12 ZINC000000643115 132228269 /nfs/dbraw/zinc/22/82/69/132228269.db2.gz FJZWJWKNZPCVAV-RDGATRHJSA-N 0 0 437.561 4.745 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000000671651 132229020 /nfs/dbraw/zinc/22/90/20/132229020.db2.gz IMNDTCMHZAAKAX-UHFFFAOYSA-N 0 0 425.916 4.665 50 0 IJAARN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(C(=O)c5ccccc5)ccc(c43)C2=O)cc1 ZINC000000677928 132229225 /nfs/dbraw/zinc/22/92/25/132229225.db2.gz FHWLOPDEPNKXLU-UHFFFAOYSA-N 0 0 434.451 4.830 50 0 IJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009462786 132231972 /nfs/dbraw/zinc/23/19/72/132231972.db2.gz USPRCOFYHPDLQM-DEOSSOPVSA-N 0 0 446.934 4.757 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951174 132236133 /nfs/dbraw/zinc/23/61/33/132236133.db2.gz NUAMWFDRBJUABV-UHFFFAOYSA-N 0 0 425.488 4.730 50 0 IJAARN CCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Cl)cc1 ZINC000000988647 132236739 /nfs/dbraw/zinc/23/67/39/132236739.db2.gz YBBFWOYDMINQQT-UHFFFAOYSA-N 0 0 441.911 4.846 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccccc1OC ZINC000001170389 132238033 /nfs/dbraw/zinc/23/80/33/132238033.db2.gz IISNQAFYKFAFFS-UHFFFAOYSA-N 0 0 435.520 4.810 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(OCC)cc2)C=C(C(=O)OCC)C1c1ccccc1F ZINC000001168464 132238075 /nfs/dbraw/zinc/23/80/75/132238075.db2.gz DUAAKWKLPIGLKQ-UHFFFAOYSA-N 0 0 439.483 4.722 50 0 IJAARN Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)c1 ZINC000009738876 132240387 /nfs/dbraw/zinc/24/03/87/132240387.db2.gz YJUGUSLONYQNLL-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN Nc1nc(CSc2nc(-c3ccccc3)cs2)nc(N2CCCc3ccccc32)n1 ZINC000001428324 132245370 /nfs/dbraw/zinc/24/53/70/132245370.db2.gz RDAZVRTYBUVMEL-UHFFFAOYSA-N 0 0 432.578 4.954 50 0 IJAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC ZINC000002326665 132252275 /nfs/dbraw/zinc/25/22/75/132252275.db2.gz QJSSVXHQDQGEIJ-UHFFFAOYSA-N 0 0 444.510 4.780 50 0 IJAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCCc2ccccc21 ZINC000002850353 132257584 /nfs/dbraw/zinc/25/75/84/132257584.db2.gz QVNXIEUUVASGCA-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)CC2)c1C ZINC000002841780 132257644 /nfs/dbraw/zinc/25/76/44/132257644.db2.gz PPXDGBDVKDWFEK-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000002924135 132258743 /nfs/dbraw/zinc/25/87/43/132258743.db2.gz LGPLUOCSHYVWEE-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)cc1OC ZINC000002924204 132258761 /nfs/dbraw/zinc/25/87/61/132258761.db2.gz FEZAMBAAVIFJHF-ZDUSSCGKSA-N 0 0 426.542 4.648 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000003263258 132262947 /nfs/dbraw/zinc/26/29/47/132262947.db2.gz MPMSXIUXWZJVJS-UHFFFAOYSA-N 0 0 426.567 4.752 50 0 IJAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NCCCc1ccccc1 ZINC000003276065 132263071 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CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398304 520359385 /nfs/dbraw/zinc/35/93/85/520359385.db2.gz ZNFPEJFEQADEPS-HSZRJFAPSA-N 0 0 444.579 4.774 50 0 IJAARN CCCCN1C(=O)N[C@H](c2cccc(NC(=O)CCC3CCCC3)c2)C(C(=O)OC)=C1C ZINC000035711245 520563154 /nfs/dbraw/zinc/56/31/54/520563154.db2.gz CXUYOVSPBXTMDT-HSZRJFAPSA-N 0 0 441.572 4.909 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C\c1cccc(Cl)c1 ZINC000035200390 520750870 /nfs/dbraw/zinc/75/08/70/520750870.db2.gz RJIUJCNQKFTDIB-HJWRWDBZSA-N 0 0 430.932 4.626 50 0 IJAARN CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)nc(C)n1 ZINC000012226301 520765670 /nfs/dbraw/zinc/76/56/70/520765670.db2.gz VLWJGVXHRABOIP-UHFFFAOYSA-N 0 0 434.521 4.881 50 0 IJAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)N2CCC(C)CC2)c3C)cc1OCC ZINC000021913990 520803840 /nfs/dbraw/zinc/80/38/40/520803840.db2.gz DOGHXERKCVMWTB-UHFFFAOYSA-N 0 0 436.556 4.683 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000012817061 520809847 /nfs/dbraw/zinc/80/98/47/520809847.db2.gz NQKZRUQXVVADDL-UHFFFAOYSA-N 0 0 441.380 4.617 50 0 IJAARN CCOc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3C)n2)cc1 ZINC000021169027 520827888 /nfs/dbraw/zinc/82/78/88/520827888.db2.gz XTQQXPQJBSMTDV-UHFFFAOYSA-N 0 0 427.917 4.877 50 0 IJAARN CCCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1Cl ZINC000020624936 520846934 /nfs/dbraw/zinc/84/69/34/520846934.db2.gz ICNSEMMFOJSUAD-SFHVURJKSA-N 0 0 441.355 4.569 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 ZINC000017307484 520918663 /nfs/dbraw/zinc/91/86/63/520918663.db2.gz CHNONGWYBZKJFQ-UHFFFAOYSA-N 0 0 442.562 4.541 50 0 IJAARN CCN(CC)c1nc2ccccc2n(CC(=O)Nc2ccccc2-c2ccccc2)c1=O ZINC000012898599 520928729 /nfs/dbraw/zinc/92/87/29/520928729.db2.gz GHXKCYYUIKFNME-UHFFFAOYSA-N 0 0 426.520 4.548 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1 ZINC000021914535 520954568 /nfs/dbraw/zinc/95/45/68/520954568.db2.gz CCLQVDBWUZNDDR-UHFFFAOYSA-N 0 0 428.536 4.693 50 0 IJAARN CCOc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000021100574 521099618 /nfs/dbraw/zinc/09/96/18/521099618.db2.gz YOUDZLZSOFPCTA-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000015883377 521114499 /nfs/dbraw/zinc/11/44/99/521114499.db2.gz SRXRLSKGRXEVEI-UHFFFAOYSA-N 0 0 433.895 4.749 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(C)cc1 ZINC000035684029 521166481 /nfs/dbraw/zinc/16/64/81/521166481.db2.gz IWINWYPCXPPEDK-XMMPIXPASA-N 0 0 447.560 4.884 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[C@@H](C)CC ZINC000012418678 521197527 /nfs/dbraw/zinc/19/75/27/521197527.db2.gz DGJUSSXEGHCDGU-KRWDZBQOSA-N 0 0 437.005 4.763 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2ncccc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000021530587 521228671 /nfs/dbraw/zinc/22/86/71/521228671.db2.gz IBKVJGKXKHCPBL-OAQYLSRUSA-N 0 0 445.519 4.523 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2OC)s1 ZINC000033007888 521230721 /nfs/dbraw/zinc/23/07/21/521230721.db2.gz FCHXCQQSNALAJU-UHFFFAOYSA-N 0 0 433.555 4.578 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033271580 521241024 /nfs/dbraw/zinc/24/10/24/521241024.db2.gz XWUZMQDCCRFLAW-KRWDZBQOSA-N 0 0 434.521 4.672 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2cccc(C)n2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530596 521262761 /nfs/dbraw/zinc/26/27/61/521262761.db2.gz FSUCKCPNBLEZHE-NRFANRHFSA-N 0 0 445.519 4.523 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000021783020 521276223 /nfs/dbraw/zinc/27/62/23/521276223.db2.gz BIASVVJIUBJTKW-XXBNENTESA-N 0 0 433.504 4.533 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(F)c2)C1 ZINC000035891871 521289154 /nfs/dbraw/zinc/28/91/54/521289154.db2.gz HSKFHMQOWFAEHK-SIKLNZKXSA-N 0 0 436.527 4.641 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3c(F)cccc3F)sc2c1 ZINC000021661280 521298579 /nfs/dbraw/zinc/29/85/79/521298579.db2.gz KSZALJNADXYOHX-CYBMUJFWSA-N 0 0 440.475 4.941 50 0 IJAARN CCCCc1nn2c(nc(CSc3ccccc3NC(=O)c3ccco3)cc2=O)s1 ZINC000015731974 521313248 /nfs/dbraw/zinc/31/32/48/521313248.db2.gz BLTKHFSWNMAZNQ-UHFFFAOYSA-N 0 0 440.550 4.631 50 0 IJAARN CCCCc1nn2c(nc(CSc3ccccc3NC(=O)CC(C)C)cc2=O)s1 ZINC000020582974 521314430 /nfs/dbraw/zinc/31/44/30/521314430.db2.gz NHSWXIJMZZLXLM-UHFFFAOYSA-N 0 0 430.599 4.771 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)n1 ZINC000012904971 521347583 /nfs/dbraw/zinc/34/75/83/521347583.db2.gz BROCZTNJXVFSPI-UKRRQHHQSA-N 0 0 448.976 4.808 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCCCC2 ZINC000000669416 521411551 /nfs/dbraw/zinc/41/15/51/521411551.db2.gz JCDOERVBYIKXGZ-UHFFFAOYSA-N 0 0 425.506 4.943 50 0 IJAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1 ZINC000021112705 521521660 /nfs/dbraw/zinc/52/16/60/521521660.db2.gz GBQBKXPTZYCTST-UHFFFAOYSA-N 0 0 426.538 4.804 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3nc(C)cc(C)n32)cc1 ZINC000015414273 521523795 /nfs/dbraw/zinc/52/37/95/521523795.db2.gz WUBRUSBQEVSIAQ-UHFFFAOYSA-N 0 0 432.480 4.648 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 ZINC000021944498 521540189 /nfs/dbraw/zinc/54/01/89/521540189.db2.gz UQRKFPLAJHAXPK-UHFFFAOYSA-N 0 0 430.508 4.603 50 0 biogenic IJAARN CCOC(=O)c1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944618 521553918 /nfs/dbraw/zinc/55/39/18/521553918.db2.gz PCGAEYJMWQPEHZ-UHFFFAOYSA-N 0 0 448.498 4.742 50 0 biogenic IJAARN CCOC(=O)c1ccccc1NC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037053 521555819 /nfs/dbraw/zinc/55/58/19/521555819.db2.gz YKBAFVWNRFQURQ-OAQYLSRUSA-N 0 0 442.475 4.824 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445852 521573560 /nfs/dbraw/zinc/57/35/60/521573560.db2.gz OMANPMKCCGHYRA-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CCOC(=O)c1csc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)n1 ZINC000035847806 521590563 /nfs/dbraw/zinc/59/05/63/521590563.db2.gz JRFYXMIOGXUCRX-UHFFFAOYSA-N 0 0 440.525 4.999 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000037385291 521601341 /nfs/dbraw/zinc/60/13/41/521601341.db2.gz QCLKOIOWAULWPG-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000037385398 521601846 /nfs/dbraw/zinc/60/18/46/521601846.db2.gz DTOVIVVVIDSRET-UHFFFAOYSA-N 0 0 444.491 4.603 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3F)cc2c1C ZINC000021150917 521608168 /nfs/dbraw/zinc/60/81/68/521608168.db2.gz XFHLIPJYVLEBIG-LJQANCHMSA-N 0 0 431.485 4.583 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000012786024 521634534 /nfs/dbraw/zinc/63/45/34/521634534.db2.gz MBFRKUWZEDYGRE-CVEARBPZSA-N 0 0 444.000 4.860 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(OCC)cc3)c2s1 ZINC000035533965 521650883 /nfs/dbraw/zinc/65/08/83/521650883.db2.gz FGZLCEGHBGXZST-UHFFFAOYSA-N 0 0 445.614 4.842 50 0 IJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)C3CCCCC3)c2)C(C(=O)OC(C)C)=C1C ZINC000035711007 521701196 /nfs/dbraw/zinc/70/11/96/521701196.db2.gz NFWIAMGZBDDLBZ-QFIPXVFZSA-N 0 0 441.572 4.907 50 0 IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000035980874 521739452 /nfs/dbraw/zinc/73/94/52/521739452.db2.gz DZEKVWASWIGTQE-UHFFFAOYSA-N 0 0 434.540 4.830 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035724840 521848848 /nfs/dbraw/zinc/84/88/48/521848848.db2.gz KOOCYABWMGENGG-QFBILLFUSA-N 0 0 437.569 4.997 50 0 IJAARN COc1c(F)c(F)c(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c(F)c1F ZINC000012855299 521850958 /nfs/dbraw/zinc/85/09/58/521850958.db2.gz KSLXCTQDLHJPNS-UHFFFAOYSA-N 0 0 430.361 4.546 50 0 IJAARN CCc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21 ZINC000021643870 521875315 /nfs/dbraw/zinc/87/53/15/521875315.db2.gz LPKZJFVMEGQQPP-HXUWFJFHSA-N 0 0 434.565 4.626 50 0 IJAARN CCc1ccccc1NC(=O)Cn1ncc2c(C)n(Cc3cccc(Cl)c3)c(C)c2c1=O ZINC000020417799 521884001 /nfs/dbraw/zinc/88/40/01/521884001.db2.gz SVHNKLWPDQITRJ-UHFFFAOYSA-N 0 0 448.954 4.718 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)oc2C)CC1 ZINC000015774820 521890215 /nfs/dbraw/zinc/89/02/15/521890215.db2.gz WXDCKQRPHPBKTQ-UHFFFAOYSA-N 0 0 434.540 4.571 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](CC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563751 521899435 /nfs/dbraw/zinc/89/94/35/521899435.db2.gz UMKUAOWUAKVIOD-JOCHJYFZSA-N 0 0 443.551 4.660 50 0 IJAARN COc1cc(/C=C/C(=O)OC[C@H]2CC2(Cl)Cl)ccc1OCc1c(C)noc1C ZINC000023220772 521937957 /nfs/dbraw/zinc/93/79/57/521937957.db2.gz HUBSNJKHYWSMQW-KEDPEKRHSA-N 0 0 426.296 4.629 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035688017 521965137 /nfs/dbraw/zinc/96/51/37/521965137.db2.gz ZATPYYRTVRWKGC-CYFREDJKSA-N 0 0 437.584 4.713 50 0 IJAARN COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1OC(F)F ZINC000020988089 521965472 /nfs/dbraw/zinc/96/54/72/521965472.db2.gz FRWWTSKXSMVIJD-XYOKQWHBSA-N 0 0 438.352 4.970 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)cc1 ZINC000018194237 521976462 /nfs/dbraw/zinc/97/64/62/521976462.db2.gz GIMIDCKWDJYEBC-UHFFFAOYSA-N 0 0 437.521 4.854 50 0 IJAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccc(Cl)cc2)n1 ZINC000036002881 522056113 /nfs/dbraw/zinc/05/61/13/522056113.db2.gz ZHTPGLYEVIIQED-INIZCTEOSA-N 0 0 448.958 4.824 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2ccc(C)c(C)c2)nc2sc(C)c(C)c2c1=O ZINC000012792381 522074738 /nfs/dbraw/zinc/07/47/38/522074738.db2.gz BUZJGAICEQSEHX-MRXNPFEDSA-N 0 0 430.595 4.702 50 0 IJAARN COc1cc(C(=O)NCc2ccccc2-c2cnn(C)c2)ccc1OCc1ccccc1 ZINC000089756589 522124866 /nfs/dbraw/zinc/12/48/66/522124866.db2.gz UXRAAGBHVYZVIR-UHFFFAOYSA-N 0 0 427.504 4.605 50 0 IJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)CC3)c(C)s2)cs1 ZINC000033308453 522142380 /nfs/dbraw/zinc/14/23/80/522142380.db2.gz YISMHHPBZZDHIT-UHFFFAOYSA-N 0 0 447.651 4.562 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012196675 522166613 /nfs/dbraw/zinc/16/66/13/522166613.db2.gz NZBTVZASNQQZPX-DHLKQENFSA-N 0 0 444.487 4.733 50 0 IJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000001114803 522187465 /nfs/dbraw/zinc/18/74/65/522187465.db2.gz JNTWCQSRFYMASJ-UHFFFAOYSA-N 0 0 437.005 4.600 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(Cc1cccc(F)c1)C(=O)C1CC1 ZINC000035947415 522223594 /nfs/dbraw/zinc/22/35/94/522223594.db2.gz YIBNBFPKUJSCQZ-UHFFFAOYSA-N 0 0 437.559 4.959 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1sc2ncnc(N(C)c3ccccc3)c2c1C ZINC000020758250 522284651 /nfs/dbraw/zinc/28/46/51/522284651.db2.gz SEGOINIIQXLQAB-UHFFFAOYSA-N 0 0 432.505 4.807 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000035961512 522450800 /nfs/dbraw/zinc/45/08/00/522450800.db2.gz BWODVZIHNIQNDJ-NRFANRHFSA-N 0 0 427.495 4.537 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl)C(=O)C1CCC1 ZINC000035948277 522452677 /nfs/dbraw/zinc/45/26/77/522452677.db2.gz HPJZSOTYMMABSM-NRFANRHFSA-N 0 0 444.362 4.930 50 0 IJAARN CCc1nc2sc3c(c2c(N2CCN(C(=O)Nc4ccccc4C)CC2)n1)CCCC3 ZINC000035867210 522538563 /nfs/dbraw/zinc/53/85/63/522538563.db2.gz NKHKRXWARWDSQT-UHFFFAOYSA-N 0 0 435.597 4.795 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCOC)C(=O)C(C)C ZINC000035980081 522638213 /nfs/dbraw/zinc/63/82/13/522638213.db2.gz AFOQXBMTSAHCBK-UHFFFAOYSA-N 0 0 439.531 4.997 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(CCOC)C(=O)C1CC1 ZINC000035980010 522639971 /nfs/dbraw/zinc/63/99/71/522639971.db2.gz UVZSRKRCEHBGGU-UHFFFAOYSA-N 0 0 449.551 4.621 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C(=O)C1CC1 ZINC000035980050 522642819 /nfs/dbraw/zinc/64/28/19/522642819.db2.gz PXTFDBPSHWFQMG-UHFFFAOYSA-N 0 0 449.551 4.621 50 0 IJAARN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036063225 522669607 /nfs/dbraw/zinc/66/96/07/522669607.db2.gz ARBGZBHXBJZMHR-DHUDBDOYSA-N 0 0 426.576 4.789 50 0 IJAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000015881396 522715918 /nfs/dbraw/zinc/71/59/18/522715918.db2.gz IPHQRJBYZTUNMY-UHFFFAOYSA-N 0 0 430.386 4.791 50 0 IJAARN COc1cc(NC(=O)c2ccccc2OC(F)F)c(OC)cc1NC(=O)c1ccccc1 ZINC000014718049 522729373 /nfs/dbraw/zinc/72/93/73/522729373.db2.gz OILNMZMUZQLVNK-UHFFFAOYSA-N 0 0 442.418 4.810 50 0 IJAARN CCc1nnc2c(Oc3ccc(NC(=O)Cc4cccs4)cc3)nc3ccccc3n12 ZINC000035461029 522794093 /nfs/dbraw/zinc/79/40/93/522794093.db2.gz VFKYVQSUGLLQRE-UHFFFAOYSA-N 0 0 429.505 4.875 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c3)nn12 ZINC000012855502 522806373 /nfs/dbraw/zinc/80/63/73/522806373.db2.gz FKLDNTFFYUCTQL-UHFFFAOYSA-N 0 0 435.553 4.865 50 0 IJAARN COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1cccc2ccccc21 ZINC000001118639 522898796 /nfs/dbraw/zinc/89/87/96/522898796.db2.gz KGNBMCOTZLEBIL-UHFFFAOYSA-N 0 0 429.472 4.566 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1cccc(Cl)c1 ZINC000020898887 522933102 /nfs/dbraw/zinc/93/31/02/522933102.db2.gz HZAMNAOAEJZGGN-FQEVSTJZSA-N 0 0 429.929 4.734 50 0 IJAARN COc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1)oc1ccccc12 ZINC000015080997 523018134 /nfs/dbraw/zinc/01/81/34/523018134.db2.gz CZNKFWXQLCOZFB-UHFFFAOYSA-N 0 0 427.453 4.536 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)C1C[C@H]3CCC[C@@H](C1)C3=O)oc1ccccc12 ZINC000008825721 523018320 /nfs/dbraw/zinc/01/83/20/523018320.db2.gz SDOZHDDVMUVXGY-VPSFDDGASA-N 0 0 449.503 4.860 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccc(F)cc1)CC2 ZINC000036042927 523037304 /nfs/dbraw/zinc/03/73/04/523037304.db2.gz GOMBNLNWBWBRCS-HFJWLAOPSA-N 0 0 448.538 4.761 50 0 IJAARN COC(=O)CCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021889579 523095937 /nfs/dbraw/zinc/09/59/37/523095937.db2.gz PBTAFBPBXVUANT-VWLOTQADSA-N 0 0 431.536 4.778 50 0 IJAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000022627947 523104325 /nfs/dbraw/zinc/10/43/25/523104325.db2.gz MIRJXCUBWVAIIH-UHFFFAOYSA-N 0 0 446.454 4.647 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)nc3n2)cc1 ZINC000021727614 523104310 /nfs/dbraw/zinc/10/43/10/523104310.db2.gz KADNLLXDUDADRH-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN COc1ccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n(-c3ccccn3)n2)cc1 ZINC000041157163 523111922 /nfs/dbraw/zinc/11/19/22/523111922.db2.gz PKMKCHFPJAZJLT-UHFFFAOYSA-N 0 0 434.883 4.614 50 0 IJAARN CCn1c(=S)n(CN2CCN(c3nccs3)CC2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000012792723 523113066 /nfs/dbraw/zinc/11/30/66/523113066.db2.gz BIPNESYQIXVEJK-UHFFFAOYSA-N 0 0 442.658 4.635 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(Cl)ccc4OC)csc3n2)cc1 ZINC000020555566 523145873 /nfs/dbraw/zinc/14/58/73/523145873.db2.gz GIHIHNRSUYQNMC-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000035684729 523152144 /nfs/dbraw/zinc/15/21/44/523152144.db2.gz QYBBDHKXGOTCNU-KRWDZBQOSA-N 0 0 446.385 4.629 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccn4)cs3)cs2)cc1OC ZINC000009657042 523196945 /nfs/dbraw/zinc/19/69/45/523196945.db2.gz QLXZYZFMWLVQRL-UHFFFAOYSA-N 0 0 438.534 4.527 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)co2)cc1 ZINC000022930297 523202672 /nfs/dbraw/zinc/20/26/72/523202672.db2.gz WBWBBCQAQAYNPM-UHFFFAOYSA-N 0 0 431.458 4.687 50 0 IJAARN COc1ccc(-c2nc(CSc3nccn3-c3ccc(Br)cc3)no2)cc1 ZINC000012742553 523212941 /nfs/dbraw/zinc/21/29/41/523212941.db2.gz AIEYMVIUGTYWQS-UHFFFAOYSA-N 0 0 443.326 4.986 50 0 IJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022023972 523215183 /nfs/dbraw/zinc/21/51/83/523215183.db2.gz ZQSSOXPRAIAKJB-UHFFFAOYSA-N 0 0 425.550 4.823 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012887309 523215561 /nfs/dbraw/zinc/21/55/61/523215561.db2.gz CGEZSKIJTFOSOH-FMIVXFBMSA-N 0 0 430.470 4.616 50 0 IJAARN CCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723320 523231043 /nfs/dbraw/zinc/23/10/43/523231043.db2.gz ZCSMGIXKPBGBCM-UHFFFAOYSA-N 0 0 434.521 4.583 50 0 IJAARN COc1ccc(-c2nnc(SCc3ccc4ccccc4n3)n2C[C@@H]2CCCO2)cc1 ZINC000012594313 523263495 /nfs/dbraw/zinc/26/34/95/523263495.db2.gz VBMGUMNTMGNTTD-NRFANRHFSA-N 0 0 432.549 4.973 50 0 IJAARN COc1ccc(-c2nnc([C@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000023701629 523267428 /nfs/dbraw/zinc/26/74/28/523267428.db2.gz IICHKFJOVKSBSR-HNNXBMFYSA-N 0 0 432.446 4.647 50 0 IJAARN COc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccs3)n2)cc1OC ZINC000035845371 523283899 /nfs/dbraw/zinc/28/38/99/523283899.db2.gz KGYDMZTZFICRLC-UHFFFAOYSA-N 0 0 449.532 4.700 50 0 IJAARN COc1ccc(-c2noc(CSCC(=O)Nc3cc(C)c(Cl)cc3OC)n2)cc1 ZINC000021529645 523292166 /nfs/dbraw/zinc/29/21/66/523292166.db2.gz KXBNLOWOQOGWIJ-UHFFFAOYSA-N 0 0 433.917 4.588 50 0 IJAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000016749814 523295358 /nfs/dbraw/zinc/29/53/58/523295358.db2.gz SAESRMPMZBAEGZ-HSZRJFAPSA-N 0 0 435.520 4.800 50 0 IJAARN COCCCN1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@H](C)C1=O ZINC000035886526 523305261 /nfs/dbraw/zinc/30/52/61/523305261.db2.gz SHFICDNIVCUDJR-QGZVFWFLSA-N 0 0 425.529 4.600 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2cccc(Br)c2)cc1 ZINC000020892879 523344871 /nfs/dbraw/zinc/34/48/71/523344871.db2.gz WUGKUJFLVKGAFK-IBGZPJMESA-N 0 0 444.354 4.727 50 0 IJAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c2C(=O)OC)C1 ZINC000033392064 523371533 /nfs/dbraw/zinc/37/15/33/523371533.db2.gz NROFGXZMPOHVAU-KOTGUFOOSA-N 0 0 429.538 4.719 50 0 IJAARN COc1ccc(/C=C/C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3F)s2)cc1OC ZINC000022891748 523384324 /nfs/dbraw/zinc/38/43/24/523384324.db2.gz SQOCIMNIZJLLLU-PXUDHTSWSA-N 0 0 442.512 4.678 50 0 IJAARN COc1ccc(/C=C/CN2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)cc1 ZINC000012245589 523405361 /nfs/dbraw/zinc/40/53/61/523405361.db2.gz XNNCTVJOAJVJJO-AATRIKPKSA-N 0 0 432.520 4.682 50 0 IJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccccc4)cc3NC2=O)cc1 ZINC000020734194 523417064 /nfs/dbraw/zinc/41/70/64/523417064.db2.gz BTYCNGKBVBLKRI-HZHRSRAPSA-N 0 0 430.529 4.753 50 0 biogenic IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CCCCC1 ZINC000012389072 523498667 /nfs/dbraw/zinc/49/86/67/523498667.db2.gz SWCNDOFEFKBBKQ-UHFFFAOYSA-N 0 0 446.613 4.801 50 0 IJAARN CC[C@@H]1Cn2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000035477483 523589739 /nfs/dbraw/zinc/58/97/39/523589739.db2.gz ANLMNOXPKFFARV-QGZVFWFLSA-N 0 0 427.907 4.567 50 0 IJAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000035928411 523752916 /nfs/dbraw/zinc/75/29/16/523752916.db2.gz BOJPNIYTQIUPCG-RUZDIDTESA-N 0 0 447.560 4.792 50 0 IJAARN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563422 523798007 /nfs/dbraw/zinc/79/80/07/523798007.db2.gz WJQZQGYYTXUKNB-OAQYLSRUSA-N 0 0 443.551 4.714 50 0 IJAARN CCc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccc(OC)cc32)cc1 ZINC000020996524 523861930 /nfs/dbraw/zinc/86/19/30/523861930.db2.gz BDQQPXQNZBCBQH-UHFFFAOYSA-N 0 0 428.536 4.881 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 ZINC000013114226 523862531 /nfs/dbraw/zinc/86/25/31/523862531.db2.gz XPDHYKWUTYSNKR-UHFFFAOYSA-N 0 0 432.553 4.567 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000020738446 523878775 /nfs/dbraw/zinc/87/87/75/523878775.db2.gz JWNPCDKHMFVPGA-HFZDXXHNSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc(CCNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1OC ZINC000021185525 523968473 /nfs/dbraw/zinc/96/84/73/523968473.db2.gz YYPZENSIEXPQIV-UHFFFAOYSA-N 0 0 448.350 4.536 50 0 IJAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2Cc2ccccc2F)cc1OC ZINC000035843809 523969613 /nfs/dbraw/zinc/96/96/13/523969613.db2.gz PGMIFDKDOMZJQU-UHFFFAOYSA-N 0 0 438.524 4.880 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4n3)CC2)cc1 ZINC000021704116 523970119 /nfs/dbraw/zinc/97/01/19/523970119.db2.gz IOPMNUBLKPAXGC-UHFFFAOYSA-N 0 0 430.552 4.919 50 0 IJAARN COc1ccc(CCNC(=O)c2cn3cc(-c4cccc(Cl)c4)ccc3n2)cc1OC ZINC000034831032 523970952 /nfs/dbraw/zinc/97/09/52/523970952.db2.gz XGMYLXHLJVYTGU-UHFFFAOYSA-N 0 0 435.911 4.644 50 0 IJAARN CN1CCc2c3ccccc3[nH]c2[C@H]1CC(=O)C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000020758165 523997268 /nfs/dbraw/zinc/99/72/68/523997268.db2.gz STCPBUYCVAARLB-PLQXJYEYSA-N 0 0 426.564 4.757 50 0 biogenic IJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(OC)cc2)n1 ZINC000035705017 524002968 /nfs/dbraw/zinc/00/29/68/524002968.db2.gz TXBJBMUYZPXCGY-KRWDZBQOSA-N 0 0 425.504 4.553 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021107183 524022136 /nfs/dbraw/zinc/02/21/36/524022136.db2.gz CZUHUDKSYFZMDX-FQEVSTJZSA-N 0 0 435.352 4.552 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CCCCC2)C(=O)c2cccs2)c1C ZINC000036004261 524023107 /nfs/dbraw/zinc/02/31/07/524023107.db2.gz MXERQMHJJMRTCU-MRXNPFEDSA-N 0 0 430.570 4.774 50 0 IJAARN COc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1O ZINC000012209630 524025279 /nfs/dbraw/zinc/02/52/79/524025279.db2.gz UZKGTIIREKVNHU-OAQYLSRUSA-N 0 0 433.508 4.581 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012784543 524043237 /nfs/dbraw/zinc/04/32/37/524043237.db2.gz UYNNOUUDXMYUES-UHFFFAOYSA-N 0 0 435.402 4.705 50 0 IJAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(F)c3)C2=O)cc1F ZINC000021658284 524043932 /nfs/dbraw/zinc/04/39/32/524043932.db2.gz NRLCDBHFSQSJMM-UHFFFAOYSA-N 0 0 444.459 4.617 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN31)C(=O)N2 ZINC000012130180 524059519 /nfs/dbraw/zinc/05/95/19/524059519.db2.gz HPNHTGFEJNSXNI-BVAGGSTKSA-N 0 0 425.488 4.606 50 0 IJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccncc4)CC3)cc2)c1 ZINC000012319510 524110918 /nfs/dbraw/zinc/11/09/18/524110918.db2.gz HIVYOVMHNPUJTN-BJMVGYQFSA-N 0 0 425.532 4.948 50 0 IJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)nc2)c1 ZINC000035513280 524111136 /nfs/dbraw/zinc/11/11/36/524111136.db2.gz AZZWCLFRRMAEGY-VWLOTQADSA-N 0 0 426.564 4.862 50 0 IJAARN Cc1cccc(-c2nccc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)n2)c1 ZINC000035502290 524122010 /nfs/dbraw/zinc/12/20/10/524122010.db2.gz ZHLPYMBRHHYEKR-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N(CCc2ccccc2)Cc2cccs2)c1 ZINC000012856843 524125359 /nfs/dbraw/zinc/12/53/59/524125359.db2.gz CMABYIJKIMLXJF-UHFFFAOYSA-N 0 0 448.617 4.875 50 0 IJAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)o2)c1 ZINC000021355592 524128441 /nfs/dbraw/zinc/12/84/41/524128441.db2.gz UQTSMYJOHKAEEA-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1 ZINC000020532919 524141854 /nfs/dbraw/zinc/14/18/54/524141854.db2.gz QYGLTOPHJQGHLS-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN COc1ccc(C[C@@]2(CCC(=O)NC[C@@H](C)c3ccccc3)CCC(=O)N2)c2ccccc12 ZINC000011881099 524144545 /nfs/dbraw/zinc/14/45/45/524144545.db2.gz ZKOVVMMZQHXEBU-PIIWDFAUSA-N 0 0 444.575 4.740 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009236922 524155229 /nfs/dbraw/zinc/15/52/29/524155229.db2.gz RZBSGOXCJDMENS-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN COc1ccc(Cc2nnc(C3CCN(C(=O)Nc4ccc(OC)cc4)CC3)s2)cc1 ZINC000035597030 524165759 /nfs/dbraw/zinc/16/57/59/524165759.db2.gz SRRDNKNNHCNMHL-UHFFFAOYSA-N 0 0 438.553 4.558 50 0 IJAARN C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113953 524213686 /nfs/dbraw/zinc/21/36/86/524213686.db2.gz VSVKYDVNRGLYIW-OAHLLOKOSA-N 0 0 441.934 4.765 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440899 524220320 /nfs/dbraw/zinc/22/03/20/524220320.db2.gz KSSYNFKNSMHXGC-UHFFFAOYSA-N 0 0 432.307 4.645 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@@H](OCc5cccnc5)C4)n3)CCCC2)cc1 ZINC000012305128 524227536 /nfs/dbraw/zinc/22/75/36/524227536.db2.gz NABNLOOHRAGDMD-HSZRJFAPSA-N 0 0 432.568 4.814 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC(OCc5cccnc5)CC4)n3)CCCC2)cc1 ZINC000012307059 524229301 /nfs/dbraw/zinc/22/93/01/524229301.db2.gz SSGJKZXSKHETAJ-UHFFFAOYSA-N 0 0 432.568 4.814 50 0 IJAARN Cc1ccc(C2=NN(C(=O)COC(=O)C3(c4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000021171915 524233741 /nfs/dbraw/zinc/23/37/41/524233741.db2.gz FBINHXPUBREVPA-JOCHJYFZSA-N 0 0 428.488 4.541 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 ZINC000035596964 524233994 /nfs/dbraw/zinc/23/39/94/524233994.db2.gz RFULALDIMOFJKD-OAHLLOKOSA-N 0 0 444.894 4.873 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 ZINC000012342148 524239898 /nfs/dbraw/zinc/23/98/98/524239898.db2.gz SBBJWGJHNBVSOA-UHFFFAOYSA-N 0 0 437.858 4.806 50 0 IJAARN COc1ccc(Cl)cc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001119115 524241564 /nfs/dbraw/zinc/24/15/64/524241564.db2.gz GVNMRLDFUWZYFG-UHFFFAOYSA-N 0 0 429.895 4.886 50 0 IJAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc5c(c4)CCC5)c3s2)C1 ZINC000035533711 524248170 /nfs/dbraw/zinc/24/81/70/524248170.db2.gz PAYUTWFNFMHHJC-CQSZACIVSA-N 0 0 439.610 4.542 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034813455 524248948 /nfs/dbraw/zinc/24/89/48/524248948.db2.gz DVZGXBWIWZNPEC-UHFFFAOYSA-N 0 0 447.922 4.991 50 0 IJAARN COc1ccccc1-c1cc(CSCC(=O)Nc2ccc(Br)cc2)on1 ZINC000012931294 524267454 /nfs/dbraw/zinc/26/74/54/524267454.db2.gz HOSGMHRFZFSWNC-UHFFFAOYSA-N 0 0 433.327 4.985 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000012792532 524274728 /nfs/dbraw/zinc/27/47/28/524274728.db2.gz XXANZJJSHIXPHK-HZPDHXFCSA-N 0 0 445.357 4.870 50 0 IJAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NC4CCCCC4)cc3)c2n1 ZINC000020992913 524343074 /nfs/dbraw/zinc/34/30/74/524343074.db2.gz ODSQYLVBEFZERJ-UHFFFAOYSA-N 0 0 427.552 4.950 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)c(=O)n(C1CC1)c(N)c2-c1cccc(F)c1 ZINC000035956443 524358965 /nfs/dbraw/zinc/35/89/65/524358965.db2.gz PLFLENLLATYFSO-UHFFFAOYSA-N 0 0 443.478 4.986 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 ZINC000035839241 524374151 /nfs/dbraw/zinc/37/41/51/524374151.db2.gz RILKWGNTOHLQBF-NRFANRHFSA-N 0 0 436.458 4.809 50 0 IJAARN Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)c1 ZINC000012544869 524383302 /nfs/dbraw/zinc/38/33/02/524383302.db2.gz FULUEXQFOVYOSZ-UHFFFAOYSA-N 0 0 444.503 4.655 50 0 IJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)C2CCCC2)c(OC)c1 ZINC000035912392 524390333 /nfs/dbraw/zinc/39/03/33/524390333.db2.gz JCRRLBAWMSIMRC-HSZRJFAPSA-N 0 0 426.538 4.611 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000033331948 524413822 /nfs/dbraw/zinc/41/38/22/524413822.db2.gz WXNVNSDLULRQKB-STTRJGPESA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2ccco2)C(=O)c2ccco2)o1 ZINC000035809384 524417629 /nfs/dbraw/zinc/41/76/29/524417629.db2.gz PLEBSJMHFAXURS-UHFFFAOYSA-N 0 0 446.503 4.688 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)C2=O)cc1 ZINC000035180929 524445113 /nfs/dbraw/zinc/44/51/13/524445113.db2.gz UDBXQVQSLRGGOC-UHFFFAOYSA-N 0 0 443.503 4.808 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1Cl ZINC000012028693 524484538 /nfs/dbraw/zinc/48/45/38/524484538.db2.gz YHWSHZYRZXYUIW-OAHLLOKOSA-N 0 0 448.972 4.884 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(C(C)=O)s3)C2)cc1Cl ZINC000012763988 524485266 /nfs/dbraw/zinc/48/52/66/524485266.db2.gz KOYHDHOKVNKUPV-OAHLLOKOSA-N 0 0 448.972 4.884 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000020573802 524485780 /nfs/dbraw/zinc/48/57/80/524485780.db2.gz NHUNKVVNMIPIJH-DEOSSOPVSA-N 0 0 436.483 4.753 50 0 IJAARN COc1ccc(NC(=O)CCc2ccccc2)cc1CN1CCn2c(nc3ccccc32)C1 ZINC000021800282 524486520 /nfs/dbraw/zinc/48/65/20/524486520.db2.gz HLGIEXSIAWQMNX-UHFFFAOYSA-N 0 0 440.547 4.632 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)CCc3cccs3)cc2)n1 ZINC000012303319 524489849 /nfs/dbraw/zinc/48/98/49/524489849.db2.gz NYWDLHBDANHAFS-QFIPXVFZSA-N 0 0 436.581 4.503 50 0 IJAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000021159820 524493459 /nfs/dbraw/zinc/49/34/59/524493459.db2.gz NVXNWOHFEHICOX-UHFFFAOYSA-N 0 0 438.575 4.926 50 0 IJAARN COc1ccccc1N1CC(C)(C)C(=O)N(C(=O)c2cccc(C(F)(F)F)c2)C1=S ZINC000001025022 524537918 /nfs/dbraw/zinc/53/79/18/524537918.db2.gz HRSQNYGHDZUHSD-UHFFFAOYSA-N 0 0 436.455 4.514 50 0 IJAARN C[C@@H](CCc1ccco1)N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977928 524543765 /nfs/dbraw/zinc/54/37/65/524543765.db2.gz NHFLPDAIUHTCQM-NSHDSACASA-N 0 0 434.461 4.657 50 0 IJAARN COc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035429632 524580053 /nfs/dbraw/zinc/58/00/53/524580053.db2.gz ISAZFDJAAOGGNQ-UHFFFAOYSA-N 0 0 436.493 4.541 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1cccs1 ZINC000012377962 524586690 /nfs/dbraw/zinc/58/66/90/524586690.db2.gz KVJCRCQKWGTVLT-NRFANRHFSA-N 0 0 443.532 4.943 50 0 IJAARN COc1ccc(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl ZINC000012551277 524587931 /nfs/dbraw/zinc/58/79/31/524587931.db2.gz CUZYYGLWBUJFCS-QHCPKHFHSA-N 0 0 434.927 4.705 50 0 IJAARN COc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000012854054 524592778 /nfs/dbraw/zinc/59/27/78/524592778.db2.gz NFABPLQLUKBFBP-UHFFFAOYSA-N 0 0 433.533 4.779 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1F ZINC000033289195 524593848 /nfs/dbraw/zinc/59/38/48/524593848.db2.gz STTQJSHZYUFIKE-QGZVFWFLSA-N 0 0 436.487 4.580 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(Cc3noc(-c4ccc(C)cc4)n3)C2)cc1Cl ZINC000021724893 524612721 /nfs/dbraw/zinc/61/27/21/524612721.db2.gz IDWLRNGWSYTKIF-KRWDZBQOSA-N 0 0 440.931 4.558 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000024629812 524653344 /nfs/dbraw/zinc/65/33/44/524653344.db2.gz KACKBFWREOSZML-AWEZNQCLSA-N 0 0 432.596 4.808 50 0 IJAARN COc1ccccc1OC1CCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 ZINC000012714444 524655140 /nfs/dbraw/zinc/65/51/40/524655140.db2.gz XXUDCHLSUZIWSX-UHFFFAOYSA-N 0 0 426.488 4.850 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000016028773 524659618 /nfs/dbraw/zinc/65/96/18/524659618.db2.gz MXKCBVKVOYWWQC-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1c2c(sc1-n1cccc1)CSCC2 ZINC000012795194 524671315 /nfs/dbraw/zinc/67/13/15/524671315.db2.gz VRVFYOFEVCWYDF-UHFFFAOYSA-N 0 0 427.551 4.547 50 0 IJAARN COc1ccccc1Oc1c(CN(C[C@H]2CCCO2)C(C)=O)c(C)nn1-c1ccccc1 ZINC000035976665 524693595 /nfs/dbraw/zinc/69/35/95/524693595.db2.gz RELABTOHEJQFQZ-OAQYLSRUSA-N 0 0 435.524 4.509 50 0 IJAARN Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)nc21 ZINC000020743968 524718716 /nfs/dbraw/zinc/71/87/16/524718716.db2.gz BCPJKETWZSCQKV-UHFFFAOYSA-N 0 0 444.000 4.556 50 0 IJAARN COc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 ZINC000012524948 524722694 /nfs/dbraw/zinc/72/26/94/524722694.db2.gz NCOCMFCJOSEGIX-SFHVURJKSA-N 0 0 426.567 4.746 50 0 IJAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051630 524760535 /nfs/dbraw/zinc/76/05/35/524760535.db2.gz WCHCOENKXQEHJE-XZOQPEGZSA-N 0 0 448.950 4.521 50 0 IJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)no2)c1 ZINC000036012200 524791690 /nfs/dbraw/zinc/79/16/90/524791690.db2.gz VWDKWKRPNAWGGY-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(N3CCSc4ccccc43)s2)c1 ZINC000015733611 524834752 /nfs/dbraw/zinc/83/47/52/524834752.db2.gz NYOLXQIVULQBCD-UHFFFAOYSA-N 0 0 426.563 4.939 50 0 IJAARN Cc1ccc(N(C)C(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1C ZINC000035403583 524879839 /nfs/dbraw/zinc/87/98/39/524879839.db2.gz DNFCTCIZVKZRAF-UHFFFAOYSA-N 0 0 428.580 4.858 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288899 524881948 /nfs/dbraw/zinc/88/19/48/524881948.db2.gz OTXVCOKUEGVJLQ-OAHLLOKOSA-N 0 0 441.578 4.615 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000016156514 524893620 /nfs/dbraw/zinc/89/36/20/524893620.db2.gz PCIHUHOGLJYHOI-UHFFFAOYSA-N 0 0 440.590 4.692 50 0 IJAARN Cc1ccc(N(Cc2ccccc2)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000012852719 524900169 /nfs/dbraw/zinc/90/01/69/524900169.db2.gz SUYPZZDCYPSSLG-NFQMXDRXSA-N 0 0 447.579 4.665 50 0 IJAARN Cc1cccc([C@H]2c3cc(O[C@H](C)C(=O)NC(C)C)ccc3CCN2C(=O)c2ccco2)c1 ZINC000034713850 524900025 /nfs/dbraw/zinc/90/00/25/524900025.db2.gz KTVPQWVEQNJNHS-CLOONOSVSA-N 0 0 446.547 4.668 50 0 IJAARN COc1cnc(CSc2ccc(F)cc2)cc1OCC(=O)N1CCCc2ccccc21 ZINC000015824698 524900143 /nfs/dbraw/zinc/90/01/43/524900143.db2.gz NIPJYFNACIVLHA-UHFFFAOYSA-N 0 0 438.524 4.880 50 0 IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1cccc(C)c1C ZINC000015823799 524900251 /nfs/dbraw/zinc/90/02/51/524900251.db2.gz ZUGCNZFHYUBPEM-UHFFFAOYSA-N 0 0 429.567 4.782 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000012871971 524912472 /nfs/dbraw/zinc/91/24/72/524912472.db2.gz MZYHXRMRJDFBNJ-QPGLYAHGSA-N 0 0 431.916 4.751 50 0 IJAARN Cc1cc(Cn2c(CN3CCC(C)CC3)nc3scc(-c4cccs4)c3c2=O)on1 ZINC000012613916 524923291 /nfs/dbraw/zinc/92/32/91/524923291.db2.gz INVQNBGPZSFIHI-UHFFFAOYSA-N 0 0 440.594 4.763 50 0 IJAARN C[C@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1nccs1 ZINC000012042915 524938600 /nfs/dbraw/zinc/93/86/00/524938600.db2.gz VVDBKMTYEQXVEN-AVRWGWEMSA-N 0 0 433.577 4.659 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(OC3CCCC3)cc2)n1C)c1ccccc1 ZINC000017100678 524978144 /nfs/dbraw/zinc/97/81/44/524978144.db2.gz HZKTZBBFMAXFHC-KRWDZBQOSA-N 0 0 436.581 4.773 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000012564114 525020955 /nfs/dbraw/zinc/02/09/55/525020955.db2.gz ZZUDZZWXJRZEIY-KRWDZBQOSA-N 0 0 434.721 4.678 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ZINC000021780311 525048210 /nfs/dbraw/zinc/04/82/10/525048210.db2.gz KATNLWUWHJLTTD-UHFFFAOYSA-N 0 0 449.352 4.521 50 0 IJAARN Cc1cc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033115828 525055105 /nfs/dbraw/zinc/05/51/05/525055105.db2.gz VJQINDCBFGNVMY-UHFFFAOYSA-N 0 0 447.489 4.838 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c(F)c1 ZINC000035528304 525083811 /nfs/dbraw/zinc/08/38/11/525083811.db2.gz VGYMXMTYVACKJK-ZDUSSCGKSA-N 0 0 431.562 4.501 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)cc1F ZINC000035533546 525083950 /nfs/dbraw/zinc/08/39/50/525083950.db2.gz KJDAEALWUIGSSM-LBPRGKRZSA-N 0 0 431.562 4.501 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)Cc2ccccc2)cc1 ZINC000012323145 525092942 /nfs/dbraw/zinc/09/29/42/525092942.db2.gz NVJMIAMVFUFBDF-UHFFFAOYSA-N 0 0 440.565 4.708 50 0 IJAARN Cc1cc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c2ccccc2n1 ZINC000021538764 525118250 /nfs/dbraw/zinc/11/82/50/525118250.db2.gz DYBBNRPYEKMPOQ-UHFFFAOYSA-N 0 0 429.549 4.917 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c(C)c1 ZINC000033273090 525121039 /nfs/dbraw/zinc/12/10/39/525121039.db2.gz QXECQMZCTPCQGM-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021862207 525134260 /nfs/dbraw/zinc/13/42/60/525134260.db2.gz TXKLSOUINYWNNY-HHHXNRCGSA-N 0 0 444.579 4.598 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811040 525134653 /nfs/dbraw/zinc/13/46/53/525134653.db2.gz WCMSCQYCSNUKEM-QSEDJUOYSA-N 0 0 433.552 4.652 50 0 IJAARN C[C@@H](NC(=O)Cn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)c1ccc(F)cc1 ZINC000012799932 525143726 /nfs/dbraw/zinc/14/37/26/525143726.db2.gz FWJCJLCVVIUVBR-CYBMUJFWSA-N 0 0 441.915 4.795 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561098 525171681 /nfs/dbraw/zinc/17/16/81/525171681.db2.gz UVMZFSBTQGNKTR-OAQYLSRUSA-N 0 0 434.467 4.569 50 0 IJAARN COc1ccc([C@@H](CC(=O)NCc2ccccc2Cl)N2Cc3ccccc3C2=O)cc1 ZINC000020560576 525171794 /nfs/dbraw/zinc/17/17/94/525171794.db2.gz WKHGFQGMTFWXQF-HSZRJFAPSA-N 0 0 434.923 4.752 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1C ZINC000021099759 525184932 /nfs/dbraw/zinc/18/49/32/525184932.db2.gz GDBAPQLKKUNFAA-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067958 525185203 /nfs/dbraw/zinc/18/52/03/525185203.db2.gz LUDSAMMQLOBKJO-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021810484 525199137 /nfs/dbraw/zinc/19/91/37/525199137.db2.gz OZSWUDUEQUHNBD-XMMPIXPASA-N 0 0 439.943 4.751 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(F)cc1 ZINC000035482107 525199269 /nfs/dbraw/zinc/19/92/69/525199269.db2.gz YATKBJHOTUMKNB-HSZRJFAPSA-N 0 0 425.529 4.710 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021859536 525212482 /nfs/dbraw/zinc/21/24/82/525212482.db2.gz SZFWLWGQCXPDNN-HHHXNRCGSA-N 0 0 441.506 4.512 50 0 IJAARN Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442074 525240361 /nfs/dbraw/zinc/24/03/61/525240361.db2.gz DDWJQUHZCUAAQP-UHFFFAOYSA-N 0 0 446.463 4.802 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)c(C)c1 ZINC000015777197 525267175 /nfs/dbraw/zinc/26/71/75/525267175.db2.gz WHJHJNXAPQKBQS-INIZCTEOSA-N 0 0 448.778 4.855 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000012872439 525274975 /nfs/dbraw/zinc/27/49/75/525274975.db2.gz OYMGDUAVUJMLKU-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012802546 525321786 /nfs/dbraw/zinc/32/17/86/525321786.db2.gz IRTOCSBJMUOGCI-GOSISDBHSA-N 0 0 429.564 4.900 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccccc1)CC2 ZINC000034758197 525325946 /nfs/dbraw/zinc/32/59/46/525325946.db2.gz KATAEBSUQRYUAB-UHFFFAOYSA-N 0 0 428.536 4.766 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)s2)c(C)c1 ZINC000012524880 525329763 /nfs/dbraw/zinc/32/97/63/525329763.db2.gz IQRGLHZHOZDTCL-LJQANCHMSA-N 0 0 440.594 4.591 50 0 IJAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(-n2ccnc2)cc1 ZINC000012589786 525335223 /nfs/dbraw/zinc/33/52/23/525335223.db2.gz JHKJFGSTHGZPJD-CJAUYULYSA-N 0 0 437.499 4.818 50 0 IJAARN COc1ccc([C@H](CC(=O)NCc2ccccc2Cl)N2Cc3ccccc3C2=O)cc1 ZINC000020560578 525344275 /nfs/dbraw/zinc/34/42/75/525344275.db2.gz WKHGFQGMTFWXQF-QHCPKHFHSA-N 0 0 434.923 4.752 50 0 IJAARN C[C@@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000022020384 525383577 /nfs/dbraw/zinc/38/35/77/525383577.db2.gz ISFZYOYTRPMTCC-CQSZACIVSA-N 0 0 448.338 4.507 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(OC)c1 ZINC000016261617 525408452 /nfs/dbraw/zinc/40/84/52/525408452.db2.gz HWADMZJHAUSWCK-JOCHJYFZSA-N 0 0 435.520 4.723 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805833 525430614 /nfs/dbraw/zinc/43/06/14/525430614.db2.gz FVPABUBGQCVENP-AREMUKBSSA-N 0 0 440.547 4.854 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(OC)c1 ZINC000021788126 525432062 /nfs/dbraw/zinc/43/20/62/525432062.db2.gz BARYALKDWLIZJK-OAQYLSRUSA-N 0 0 443.956 4.934 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009192359 525440783 /nfs/dbraw/zinc/44/07/83/525440783.db2.gz GPFRFKUGFGMSLU-QHCPKHFHSA-N 0 0 426.472 4.872 50 0 IJAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccccc4N4CCCC4=O)cc3)nc12 ZINC000022748393 525474484 /nfs/dbraw/zinc/47/44/84/525474484.db2.gz ILQBBMBAWJUUEW-UHFFFAOYSA-N 0 0 440.503 4.601 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000015738761 525526101 /nfs/dbraw/zinc/52/61/01/525526101.db2.gz ZFDLGGMLXBYDQA-UHFFFAOYSA-N 0 0 441.380 4.658 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000012499033 525526434 /nfs/dbraw/zinc/52/64/34/525526434.db2.gz KCJYMDAWYOTVDO-UHFFFAOYSA-N 0 0 444.572 4.759 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)on1 ZINC000021718480 525545578 /nfs/dbraw/zinc/54/55/78/525545578.db2.gz DVCHMLZVOKXOIW-CQSZACIVSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1c(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)cnn1-c1ccccc1 ZINC000042380133 525580368 /nfs/dbraw/zinc/58/03/68/525580368.db2.gz CYBMEXDASDCFIQ-KRWDZBQOSA-N 0 0 447.539 4.858 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020368275 525588912 /nfs/dbraw/zinc/58/89/12/525588912.db2.gz MPNBISBCFYXWNJ-FQEVSTJZSA-N 0 0 439.924 4.766 50 0 IJAARN Cc1c(C(=O)NCCCOC(C)C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490154 525609372 /nfs/dbraw/zinc/60/93/72/525609372.db2.gz QIPXIAMNMSFVIS-UHFFFAOYSA-N 0 0 441.959 4.797 50 0 IJAARN Cc1c(C(=O)NCCSc2ccc(Br)cc2)cnn1-c1ccccc1F ZINC000012807813 525614470 /nfs/dbraw/zinc/61/44/70/525614470.db2.gz PXVVVAFTDSVOOK-UHFFFAOYSA-N 0 0 434.334 4.604 50 0 IJAARN COc1ccc2cc(-c3n[nH]cc3CN3CCN(c4ccc(Cl)cn4)CC3)ccc2c1 ZINC000020599685 525618361 /nfs/dbraw/zinc/61/83/61/525618361.db2.gz VJZLRXZGTUFXQA-UHFFFAOYSA-N 0 0 433.943 4.609 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(C2CCCCCC2)C3=O)o1 ZINC000021810844 525619205 /nfs/dbraw/zinc/61/92/05/525619205.db2.gz KGCPMOFUDCZIFX-RUZDIDTESA-N 0 0 425.573 4.929 50 0 IJAARN Cc1c(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)sc2ncnc(NCc3ccco3)c12 ZINC000012247353 525636876 /nfs/dbraw/zinc/63/68/76/525636876.db2.gz OXOCEFOIQBEWMS-INIZCTEOSA-N 0 0 447.442 4.633 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3ccc(F)cc3)sc2c1 ZINC000015084913 525657377 /nfs/dbraw/zinc/65/73/77/525657377.db2.gz XXAILAULFVTLFC-LJQANCHMSA-N 0 0 440.525 4.713 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2cn(C)nc2C(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000020617176 525720016 /nfs/dbraw/zinc/72/00/16/525720016.db2.gz XPEKGECMVYQYNX-WOJBJXKFSA-N 0 0 432.568 4.636 50 0 IJAARN COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)cc(OC)c2O3)c1O ZINC000015830908 525727829 /nfs/dbraw/zinc/72/78/29/525727829.db2.gz IROFXFYACCFSLT-UHFFFAOYSA-N 0 0 447.310 4.614 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)s1 ZINC000020603397 525729888 /nfs/dbraw/zinc/72/98/88/525729888.db2.gz UNCDWAOFYKULBF-JTQLQIEISA-N 0 0 427.473 4.689 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nccn3n2)cc1C ZINC000021932433 525738182 /nfs/dbraw/zinc/73/81/82/525738182.db2.gz JQEWKOCLBCPFIG-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN COc1cccc(-n2cc(C(=O)N(C)c3cc(C)ccc3OC)c3ccccc3c2=O)c1 ZINC000020509060 525750844 /nfs/dbraw/zinc/75/08/44/525750844.db2.gz CULJGHLZXMMBDP-UHFFFAOYSA-N 0 0 428.488 4.593 50 0 IJAARN COc1cccc(-n2cnnc2S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000012554092 525752873 /nfs/dbraw/zinc/75/28/73/525752873.db2.gz GNMPLHSFKJSBDZ-GOSISDBHSA-N 0 0 444.560 4.662 50 0 IJAARN CSCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012559159 525765018 /nfs/dbraw/zinc/76/50/18/525765018.db2.gz DEOMACOBVJLDCB-INIZCTEOSA-N 0 0 436.606 4.915 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127970 525772002 /nfs/dbraw/zinc/77/20/02/525772002.db2.gz SZMIERFQQICEAW-JOCHJYFZSA-N 0 0 433.939 4.971 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000021156620 525773308 /nfs/dbraw/zinc/77/33/08/525773308.db2.gz IRNFZXZOBZRNBB-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000012525057 525788064 /nfs/dbraw/zinc/78/80/64/525788064.db2.gz AJQKXWFCPOQZBO-UHFFFAOYSA-N 0 0 446.580 4.589 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000012622343 525789279 /nfs/dbraw/zinc/78/92/79/525789279.db2.gz VKORBIJJSQGBMO-KRWDZBQOSA-N 0 0 428.558 4.799 50 0 IJAARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)Nc4ccccc4)n32)cc1 ZINC000021727335 525824875 /nfs/dbraw/zinc/82/48/75/525824875.db2.gz FSQBKPICMNNSEL-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1OC ZINC000021794324 525833027 /nfs/dbraw/zinc/83/30/27/525833027.db2.gz GGOGDJIVNXUDGO-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)o2)cc1 ZINC000021721575 525857006 /nfs/dbraw/zinc/85/70/06/525857006.db2.gz UUWXLYMBHQLRNG-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1ccc(-c2nnco2)cc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000095367858 525863580 /nfs/dbraw/zinc/86/35/80/525863580.db2.gz ZGZUQHIUWNVUJL-MRXNPFEDSA-N 0 0 448.426 4.505 50 0 IJAARN COc1cccc(CCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1OC ZINC000012735556 525881667 /nfs/dbraw/zinc/88/16/67/525881667.db2.gz AHEKYDAVBUWCMG-UHFFFAOYSA-N 0 0 441.531 4.806 50 0 IJAARN C[C@H](OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000022016928 525882835 /nfs/dbraw/zinc/88/28/35/525882835.db2.gz JEEMENUHYUKSBC-INIZCTEOSA-N 0 0 447.516 4.968 50 0 IJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(c4ncnc5cc(Cl)ccc54)CC3)n2)cc1 ZINC000012855483 525887030 /nfs/dbraw/zinc/88/70/30/525887030.db2.gz MPIXYLSQIOPLQM-INIZCTEOSA-N 0 0 434.931 4.525 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000020558118 525891727 /nfs/dbraw/zinc/89/17/27/525891727.db2.gz LPYJCHCRVUADLL-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN COc1cccc(CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1OC ZINC000012916907 525913919 /nfs/dbraw/zinc/91/39/19/525913919.db2.gz IYOTZPFYDLJVKL-UHFFFAOYSA-N 0 0 427.570 4.895 50 0 IJAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccccc2C(F)(F)F)o1 ZINC000012462479 525947443 /nfs/dbraw/zinc/94/74/43/525947443.db2.gz QRQBQONSQJIWBT-DEDYPNTBSA-N 0 0 428.410 4.694 50 0 IJAARN CSc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000021647966 525949883 /nfs/dbraw/zinc/94/98/83/525949883.db2.gz CZAUAPHSSZBKIE-SFHVURJKSA-N 0 0 443.594 4.644 50 0 IJAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)o1 ZINC000035503590 525951361 /nfs/dbraw/zinc/95/13/61/525951361.db2.gz UIAXPLPRWZVPSS-UHFFFAOYSA-N 0 0 430.508 4.679 50 0 IJAARN C[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000035454626 525964118 /nfs/dbraw/zinc/96/41/18/525964118.db2.gz AUSDZGFGPMQYSL-IBGZPJMESA-N 0 0 445.563 4.996 50 0 IJAARN Cc1c2nc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)sc2ccc1Cl ZINC000020744114 525995322 /nfs/dbraw/zinc/99/53/22/525995322.db2.gz UVXDPXGJXJLRPL-UHFFFAOYSA-N 0 0 444.000 4.556 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000022239589 526004361 /nfs/dbraw/zinc/00/43/61/526004361.db2.gz KLXLOWJVDNCILE-FUHWJXTLSA-N 0 0 432.549 4.819 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)c1 ZINC000033261224 526004671 /nfs/dbraw/zinc/00/46/71/526004671.db2.gz XRQIRQYKAQYOCG-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)c1 ZINC000032983539 526006121 /nfs/dbraw/zinc/00/61/21/526006121.db2.gz CJHZXADDMCAXDV-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1ccc(F)cc1F ZINC000022020039 526014562 /nfs/dbraw/zinc/01/45/62/526014562.db2.gz JKSCYJIZCOJBDG-SNVBAGLBSA-N 0 0 426.539 4.652 50 0 IJAARN Cc1cc(-c2cc(C(=O)OCc3nnsc3Cl)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000021597438 526039168 /nfs/dbraw/zinc/03/91/68/526039168.db2.gz ZPNRGSHFCDCIGV-UHFFFAOYSA-N 0 0 431.905 4.751 50 0 IJAARN CSc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863846 526108536 /nfs/dbraw/zinc/10/85/36/526108536.db2.gz YOIFXCXJYBQVIP-VWLOTQADSA-N 0 0 449.576 4.948 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(F)c4)c3c2=O)c1 ZINC000035400780 526109510 /nfs/dbraw/zinc/10/95/10/526109510.db2.gz MKLKUUSFDBUUIZ-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000033067898 526128477 /nfs/dbraw/zinc/12/84/77/526128477.db2.gz OOHBYUZLFHVXFT-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1ccc(C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000020617557 526138419 /nfs/dbraw/zinc/13/84/19/526138419.db2.gz QUUAJMGOVNUTMA-SNVBAGLBSA-N 0 0 439.249 4.920 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)CC2)c1 ZINC000020465889 526153229 /nfs/dbraw/zinc/15/32/29/526153229.db2.gz JATXOFCHXGRDHA-UHFFFAOYSA-N 0 0 446.576 4.675 50 0 IJAARN C[C@H](c1ccon1)N(C)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012161382 526161582 /nfs/dbraw/zinc/16/15/82/526161582.db2.gz DNWUEZKRELCKPL-BCHFMIIMSA-N 0 0 431.536 4.533 50 0 IJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC1)c1cccn1-2 ZINC000035399260 526171775 /nfs/dbraw/zinc/17/17/75/526171775.db2.gz UCBDOYJZNKZDJE-UHFFFAOYSA-N 0 0 435.593 4.816 50 0 biogenic IJAARN COc1cccc(NC(=O)N(CCCN2CCOCC2)[C@H](C)c2cc3ccccc3o2)c1 ZINC000020729614 526185863 /nfs/dbraw/zinc/18/58/63/526185863.db2.gz BLONSSWFVGOJME-LJQANCHMSA-N 0 0 437.540 4.759 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1OC ZINC000022508971 526195116 /nfs/dbraw/zinc/19/51/16/526195116.db2.gz MGNQPTSIZUJPBL-UHFFFAOYSA-N 0 0 441.528 4.755 50 0 IJAARN COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@H]23)c1 ZINC000035870596 526197923 /nfs/dbraw/zinc/19/79/23/526197923.db2.gz FBZTUGNDSJXJNF-ILBGXUMGSA-N 0 0 447.966 4.855 50 0 IJAARN Cc1cc(C(=O)COc2cccc3c2CCC[C@H]3O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012786832 526212670 /nfs/dbraw/zinc/21/26/70/526212670.db2.gz YJVDDRGFRSEAAO-AUSIDOKSSA-N 0 0 447.531 4.576 50 0 IJAARN Cc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCOCC1)c2Sc1ccc(Cl)cc1 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IJAARN O=c1cc(CSc2nnc(Cc3ccccc3)o2)c2ccc(Br)cc2o1 ZINC000022533808 527481637 /nfs/dbraw/zinc/48/16/37/527481637.db2.gz SETJEJSZWOGBLO-UHFFFAOYSA-N 0 0 429.295 4.822 50 0 IJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000012823666 527502588 /nfs/dbraw/zinc/50/25/88/527502588.db2.gz QEPNKWSIKRJBLU-UHFFFAOYSA-N 0 0 433.390 4.801 50 0 IJAARN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523318 527514760 /nfs/dbraw/zinc/51/47/60/527514760.db2.gz NHCODYVGEYNQHK-NRFANRHFSA-N 0 0 438.528 4.514 50 0 IJAARN Cc1nc(SCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)[nH]c1Cc1ccccc1 ZINC000012530687 527541118 /nfs/dbraw/zinc/54/11/18/527541118.db2.gz ZSVPHYHGOFSCQM-UHFFFAOYSA-N 0 0 445.592 4.520 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@]1(C(=O)N(c3ccccc3)N=C1C)[C@@H]1CCCCN21 ZINC000009114657 527552918 /nfs/dbraw/zinc/55/29/18/527552918.db2.gz AYAFRAWJLWWCNY-JYFHCDHNSA-N 0 0 425.536 4.505 50 0 IJAARN O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012600047 527559998 /nfs/dbraw/zinc/55/99/98/527559998.db2.gz SFYHCIGIJHYHOO-QHCPKHFHSA-N 0 0 427.548 4.879 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cc(F)cc(F)c1)SCC(=O)N2 ZINC000020891317 527571407 /nfs/dbraw/zinc/57/14/07/527571407.db2.gz FOBOVGGRYVVCGE-GOSISDBHSA-N 0 0 428.489 4.843 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000020718207 527573229 /nfs/dbraw/zinc/57/32/29/527573229.db2.gz WLHLXMSTCJKIRT-IBGZPJMESA-N 0 0 429.455 4.812 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N1CCC(n2c3ncccc3nc2[C@@H]2CCCO2)CC1 ZINC000012217544 527634766 /nfs/dbraw/zinc/63/47/66/527634766.db2.gz UBNNWHLVOPXJIX-GLCJEOIMSA-N 0 0 436.943 4.813 50 0 IJAARN FC(F)(F)[C@@H]1CCCN(Cn2nc(N3CCCCC3)n(-c3ccccc3)c2=S)C1 ZINC000012544203 527676791 /nfs/dbraw/zinc/67/67/91/527676791.db2.gz NVNSYZAHEIKNQW-MRXNPFEDSA-N 0 0 425.524 4.625 50 0 IJAARN FC(F)(F)c1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000033413017 527686308 /nfs/dbraw/zinc/68/63/08/527686308.db2.gz LKRHKODXXZRTOB-UHFFFAOYSA-N 0 0 435.471 4.823 50 0 IJAARN CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000010060185 535218921 /nfs/dbraw/zinc/21/89/21/535218921.db2.gz FTZGBFQVEWGCTA-SANMLTNESA-N 0 0 449.558 4.674 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1 ZINC000006705345 535346668 /nfs/dbraw/zinc/34/66/68/535346668.db2.gz PXIRENKUBMSVLQ-HXUWFJFHSA-N 0 0 426.580 4.688 50 0 IJAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000009406013 536117332 /nfs/dbraw/zinc/11/73/32/536117332.db2.gz WOQIUGGJFKYJDH-IBGZPJMESA-N 0 0 427.932 4.788 50 0 IJAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCc3cccnc3)cc21 ZINC000013574344 536305586 /nfs/dbraw/zinc/30/55/86/536305586.db2.gz DQWWOGMLOVWNHI-MTJSOVHGSA-N 0 0 435.936 4.775 50 0 IJAARN CCOC(=O)c1cc(Oc2nc(C)nc3sc4c(c32)CCC4)cc(C(=O)OCC)c1 ZINC000000628219 555513487 /nfs/dbraw/zinc/51/34/87/555513487.db2.gz DTXRHDLPCGQSIG-UHFFFAOYSA-N 0 0 426.494 4.634 50 0 IJAARN COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 ZINC000000628446 555513762 /nfs/dbraw/zinc/51/37/62/555513762.db2.gz ULVLRNXWUZQHSC-UHFFFAOYSA-N 0 0 448.569 4.920 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)Cc2ccc(F)cc2)cc1 ZINC000000638527 555517505 /nfs/dbraw/zinc/51/75/05/555517505.db2.gz OXCSEIIQUSXEIV-UHFFFAOYSA-N 0 0 440.540 4.581 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccs2)n2nc(-c3ccccc3Cl)nc2N1 ZINC000000645590 555520339 /nfs/dbraw/zinc/52/03/39/555520339.db2.gz QRGGYQCYPIBRDM-LJQANCHMSA-N 0 0 448.939 4.983 50 0 IJAARN O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 ZINC000000645593 555520386 /nfs/dbraw/zinc/52/03/86/555520386.db2.gz DLQXRXICGXQBQZ-UHFFFAOYSA-N 0 0 438.530 4.804 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2CCc1ccccc1 ZINC000000646852 555521359 /nfs/dbraw/zinc/52/13/59/555521359.db2.gz BWFZIVSAGMBMPX-UHFFFAOYSA-N 0 0 437.956 4.762 50 0 IJAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c2C(=O)OC)C1 ZINC000000650188 555522683 /nfs/dbraw/zinc/52/26/83/555522683.db2.gz NROFGXZMPOHVAU-BMGYJQCNSA-N 0 0 429.538 4.719 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Cl)cc1 ZINC000000651711 555522995 /nfs/dbraw/zinc/52/29/95/555522995.db2.gz BXJSPBSOGHNSCO-NRFANRHFSA-N 0 0 437.952 4.933 50 0 IJAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2Br)c1C(N)=O ZINC000000670462 555530708 /nfs/dbraw/zinc/53/07/08/555530708.db2.gz IVMLQOGYAMWTLV-UHFFFAOYSA-N 0 0 429.339 4.761 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1OC)C[C@H](C(C)(C)C)CC2 ZINC000000673117 555532114 /nfs/dbraw/zinc/53/21/14/555532114.db2.gz WWLFPTWBEMGULN-CYBMUJFWSA-N 0 0 431.554 4.955 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 ZINC000000676941 555535169 /nfs/dbraw/zinc/53/51/69/555535169.db2.gz ZDDAIHGIIFXOIH-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000000678708 555536285 /nfs/dbraw/zinc/53/62/85/555536285.db2.gz ACOHKHTVLQDOBL-UHFFFAOYSA-N 0 0 439.903 4.648 50 0 IJAARN COc1cc(OC)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000000683172 555538648 /nfs/dbraw/zinc/53/86/48/555538648.db2.gz HCMAAZVJJBMNKK-UHFFFAOYSA-N 0 0 425.868 4.849 50 0 IJAARN COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccccc1I ZINC000000685916 555539875 /nfs/dbraw/zinc/53/98/75/555539875.db2.gz JSYMPUREYOZDCK-UHFFFAOYSA-N 0 0 429.279 4.515 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC ZINC000000703896 555543998 /nfs/dbraw/zinc/54/39/98/555543998.db2.gz SYNUFGOOMQKWKR-QHCPKHFHSA-N 0 0 442.471 4.735 50 0 IJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H](OC(C)=O)c1ccccc1 ZINC000000707043 555545140 /nfs/dbraw/zinc/54/51/40/555545140.db2.gz ZSFHPFLODCQKLP-FQEVSTJZSA-N 0 0 441.480 4.974 50 0 IJAARN Brc1ccc(-c2noc(-c3cccc(I)c3)n2)cc1 ZINC000000723577 555550766 /nfs/dbraw/zinc/55/07/66/555550766.db2.gz RAWVUDJJFPVYQO-UHFFFAOYSA-N 0 0 427.039 4.771 50 0 IJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000000728380 555552201 /nfs/dbraw/zinc/55/22/01/555552201.db2.gz QSNKACXTHOVNPL-UHFFFAOYSA-N 0 0 434.517 4.916 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 ZINC000000730198 555552968 /nfs/dbraw/zinc/55/29/68/555552968.db2.gz WLBBNSMWBVOPGK-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(F)cc2)cc1 ZINC000000786535 555556430 /nfs/dbraw/zinc/55/64/30/555556430.db2.gz WNLWMHJLUSDOQV-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000000825585 555564807 /nfs/dbraw/zinc/56/48/07/555564807.db2.gz QNSVRQGFFPETAV-UHFFFAOYSA-N 0 0 441.251 4.706 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000000836754 555567417 /nfs/dbraw/zinc/56/74/17/555567417.db2.gz DNKXRGQBJQEZRL-AWEZNQCLSA-N 0 0 437.179 4.753 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000000840145 555567926 /nfs/dbraw/zinc/56/79/26/555567926.db2.gz RYEGOFJMBKANDJ-UHFFFAOYSA-N 0 0 438.549 4.531 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3n2)cc1 ZINC000000845011 555568982 /nfs/dbraw/zinc/56/89/82/555568982.db2.gz MCSUDEDETSLGQJ-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844974 555569032 /nfs/dbraw/zinc/56/90/32/555569032.db2.gz KTXVGXNBZJXIMD-UHFFFAOYSA-N 0 0 444.344 4.535 50 0 IJAARN COc1ccc(Cl)c2c3nnc(SCC(=O)Nc4c(C)cccc4C)nc3[nH]c21 ZINC000000862176 555572663 /nfs/dbraw/zinc/57/26/63/555572663.db2.gz RMDCTKLLUZMGBY-UHFFFAOYSA-N 0 0 427.917 4.516 50 0 IJAARN NS(=O)(=O)c1ccc(N2N=C(/C=C/c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000000861726 555572701 /nfs/dbraw/zinc/57/27/01/555572701.db2.gz QWDYXQDOUWVAGM-NVFKUSHMSA-N 0 0 439.487 4.633 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865664 555573563 /nfs/dbraw/zinc/57/35/63/555573563.db2.gz AJWKUUPOJWIAIL-NEPJUHHUSA-N 0 0 445.283 4.834 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1OC ZINC000000865986 555573784 /nfs/dbraw/zinc/57/37/84/555573784.db2.gz WMWNRYMLTKMMOT-VQIMIIECSA-N 0 0 446.429 4.813 50 0 IJAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCC1 ZINC000000867001 555574375 /nfs/dbraw/zinc/57/43/75/555574375.db2.gz GQJCCKXYLLGXOA-UONOGXRCSA-N 0 0 430.833 4.962 50 0 IJAARN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000873163 555575862 /nfs/dbraw/zinc/57/58/62/555575862.db2.gz YVIIDDRMTZRWIQ-UHFFFAOYSA-N 0 0 433.940 4.742 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 ZINC000000907636 555582005 /nfs/dbraw/zinc/58/20/05/555582005.db2.gz KFYMBNIWMYOYCV-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000000925211 555584910 /nfs/dbraw/zinc/58/49/10/555584910.db2.gz UJTKRNBVFUGENI-UHFFFAOYSA-N 0 0 432.524 4.787 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1csc(C)n1)c2=O ZINC000000940968 555587049 /nfs/dbraw/zinc/58/70/49/555587049.db2.gz FPFUWHZCLZAFFK-VIFPVBQESA-N 0 0 427.400 4.574 50 0 IJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC1=NS(=O)(=O)c2ccccc21 ZINC000000948456 555588508 /nfs/dbraw/zinc/58/85/08/555588508.db2.gz GGOLHIFVLGOBBI-UHFFFAOYSA-N 0 0 446.937 4.806 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000951416 555589196 /nfs/dbraw/zinc/58/91/96/555589196.db2.gz WWZWHHOJQUVZCA-HSZRJFAPSA-N 0 0 426.516 4.657 50 0 IJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)cc1 ZINC000000957003 555590300 /nfs/dbraw/zinc/59/03/00/555590300.db2.gz JILYPVZNJGVZRG-UHFFFAOYSA-N 0 0 431.444 4.699 50 0 IJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000000980435 555593149 /nfs/dbraw/zinc/59/31/49/555593149.db2.gz YARXFAXOKTZJDQ-UHFFFAOYSA-N 0 0 427.888 4.858 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000982890 555593934 /nfs/dbraw/zinc/59/39/34/555593934.db2.gz LHOFFLZDJSSKOH-UHFFFAOYSA-N 0 0 442.151 4.559 50 0 IJAARN Cc1ccccc1/N=c1\oc2c(Br)cc(Br)cc2cc1C(N)=O ZINC000000984946 555594534 /nfs/dbraw/zinc/59/45/34/555594534.db2.gz BMBUMGJGXCMZIK-FXBPSFAMSA-N 0 0 436.103 4.598 50 0 IJAARN COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc(OC)c1OC ZINC000000998549 555599617 /nfs/dbraw/zinc/59/96/17/555599617.db2.gz SRLXPICTTGDDEF-UHFFFAOYSA-N 0 0 447.553 4.860 50 0 IJAARN COCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccc(Cl)cc1 ZINC000009683593 555601901 /nfs/dbraw/zinc/60/19/01/555601901.db2.gz XHKSWUQBRQWOHP-UHFFFAOYSA-N 0 0 444.988 4.973 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000001017057 555602843 /nfs/dbraw/zinc/60/28/43/555602843.db2.gz YDEQWDIEJFAPSL-SNVBAGLBSA-N 0 0 429.108 4.626 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc([C@@H](O)c2ccccc2)n1-c1ccccc1 ZINC000001027229 555604668 /nfs/dbraw/zinc/60/46/68/555604668.db2.gz ZDHQMBHWQJNYFD-QHCPKHFHSA-N 0 0 445.544 4.853 50 0 IJAARN O=C(C(Cc1ccccc1Cl)C(=O)N1CCc2ccccc21)N1CCc2ccccc21 ZINC000001035706 555608016 /nfs/dbraw/zinc/60/80/16/555608016.db2.gz DHRWLPLOKMJVFO-UHFFFAOYSA-N 0 0 430.935 4.677 50 0 IJAARN CC(=O)c1sc(SCCS(=O)(=O)c2ccc(Cl)cc2)c2c1CCCC2=O ZINC000001038529 555609118 /nfs/dbraw/zinc/60/91/18/555609118.db2.gz APHHNNHRTAQQPG-UHFFFAOYSA-N 0 0 428.984 4.689 50 0 IJAARN COc1ccc(C(O)(COc2ccc(Br)cc2)c2ccc(OC)cc2)cc1 ZINC000001043779 555610601 /nfs/dbraw/zinc/61/06/01/555610601.db2.gz FMUQLRIDBBXNIQ-UHFFFAOYSA-N 0 0 429.310 4.781 50 0 IJAARN CCCc1nc(-c2ccccn2)nc(OC(=O)N(C)C)c1Cc1c(F)cccc1Cl ZINC000001044869 555610810 /nfs/dbraw/zinc/61/08/10/555610810.db2.gz FPQSPDHMGTYDGC-UHFFFAOYSA-N 0 0 428.895 4.935 50 0 IJAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(I)c1 ZINC000001051619 555613270 /nfs/dbraw/zinc/61/32/70/555613270.db2.gz HUHSDCYUIPXQOC-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)o1 ZINC000001052777 555613530 /nfs/dbraw/zinc/61/35/30/555613530.db2.gz YGQIJDICXBIULM-MRXNPFEDSA-N 0 0 432.929 4.727 50 0 IJAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000001063067 555616970 /nfs/dbraw/zinc/61/69/70/555616970.db2.gz OCUMWHOVWZZUKA-UHFFFAOYSA-N 0 0 429.524 4.593 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000001064844 555617858 /nfs/dbraw/zinc/61/78/58/555617858.db2.gz ULWWRMQZZNTGKX-ODXCJYRJSA-N 0 0 436.733 4.566 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2c(C)cccc2C)c1 ZINC000001069366 555620302 /nfs/dbraw/zinc/62/03/02/555620302.db2.gz DRRCFWKNTIEVLG-UHFFFAOYSA-N 0 0 446.503 4.750 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000001070445 555620854 /nfs/dbraw/zinc/62/08/54/555620854.db2.gz JNGQUESEQLYVNH-HSZRJFAPSA-N 0 0 425.937 4.760 50 0 IJAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1 ZINC000001077375 555625036 /nfs/dbraw/zinc/62/50/36/555625036.db2.gz VVKNGZFVKMNNPA-UHFFFAOYSA-N 0 0 433.847 4.938 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001085602 555626606 /nfs/dbraw/zinc/62/66/06/555626606.db2.gz UXOZZSWRVHQBQF-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000001099828 555628443 /nfs/dbraw/zinc/62/84/43/555628443.db2.gz KUGFCFFAAXQDOX-RUZDIDTESA-N 0 0 435.907 4.746 50 0 IJAARN O=C1[C@H]2CS[C@H](c3ccc(Br)cc3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000001101383 555628942 /nfs/dbraw/zinc/62/89/42/555628942.db2.gz INELOOJMLLFKCG-GDBMZVCRSA-N 0 0 439.787 4.850 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000001110542 555631085 /nfs/dbraw/zinc/63/10/85/555631085.db2.gz LGLBEYBRMUJVCZ-UHFFFAOYSA-N 0 0 426.513 4.661 50 0 IJAARN Cc1sc2nc(SCC(=O)NCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000001110030 555631121 /nfs/dbraw/zinc/63/11/21/555631121.db2.gz JIBCEEUASPGHMY-UHFFFAOYSA-N 0 0 449.601 4.515 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000001111689 555632021 /nfs/dbraw/zinc/63/20/21/555632021.db2.gz IQAMYTXAHRIUAA-HXUWFJFHSA-N 0 0 448.500 4.720 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000001114397 555633534 /nfs/dbraw/zinc/63/35/34/555633534.db2.gz NSMZZIOFYWVAKZ-NXEZZACHSA-N 0 0 427.353 4.685 50 0 IJAARN Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 ZINC000001122677 555638897 /nfs/dbraw/zinc/63/88/97/555638897.db2.gz ZYCJARVSLYQTCG-UHFFFAOYSA-N 0 0 428.311 4.966 50 0 IJAARN CN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000001124157 555639551 /nfs/dbraw/zinc/63/95/51/555639551.db2.gz DUXBXXCYGORULA-UHFFFAOYSA-N 0 0 435.936 4.794 50 0 IJAARN CN(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001125576 555640506 /nfs/dbraw/zinc/64/05/06/555640506.db2.gz DXYCPTPDOXVZOO-UHFFFAOYSA-N 0 0 430.529 4.766 50 0 IJAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000001126582 555641084 /nfs/dbraw/zinc/64/10/84/555641084.db2.gz PDEMYLGAPLJZEH-PSWAGMNNSA-N 0 0 437.495 4.880 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000001129181 555643394 /nfs/dbraw/zinc/64/33/94/555643394.db2.gz XVJSPWVXINXYIP-UHFFFAOYSA-N 0 0 447.944 4.619 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001132086 555645090 /nfs/dbraw/zinc/64/50/90/555645090.db2.gz FFIINIHKVRCMSU-UHFFFAOYSA-N 0 0 442.562 4.606 50 0 IJAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000001136701 555647226 /nfs/dbraw/zinc/64/72/26/555647226.db2.gz VSLDAMUKFJBQMN-UHFFFAOYSA-N 0 0 428.897 4.596 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 ZINC000001142422 555650672 /nfs/dbraw/zinc/65/06/72/555650672.db2.gz PUKHDMSANFCPIA-UHFFFAOYSA-N 0 0 428.533 4.696 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000001142544 555650950 /nfs/dbraw/zinc/65/09/50/555650950.db2.gz IBKNPVUOFIWVTB-UHFFFAOYSA-N 0 0 428.598 4.828 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1-c1ccc(C)cc1 ZINC000001145141 555652685 /nfs/dbraw/zinc/65/26/85/555652685.db2.gz UOQPABYJIWMHHW-UHFFFAOYSA-N 0 0 431.359 4.686 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001147232 555654143 /nfs/dbraw/zinc/65/41/43/555654143.db2.gz RAWLYDIERFNDRF-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cncc(Br)c2)c1 ZINC000001153697 555657779 /nfs/dbraw/zinc/65/77/79/555657779.db2.gz VLNYCAZPWGRLIU-UHFFFAOYSA-N 0 0 442.766 4.627 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000001160914 555661709 /nfs/dbraw/zinc/66/17/09/555661709.db2.gz XDWJLEIIEFPHRV-RUZDIDTESA-N 0 0 435.907 4.746 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(F)c(F)c1 ZINC000001162643 555662617 /nfs/dbraw/zinc/66/26/17/555662617.db2.gz UAZOPFABXLXYHQ-OAQYLSRUSA-N 0 0 439.487 4.558 50 0 IJAARN O=C(C[C@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c3c(cccc31)CC2 ZINC000001162690 555662697 /nfs/dbraw/zinc/66/26/97/555662697.db2.gz CUBKFWLVSJIPON-PMERELPUSA-N 0 0 447.534 4.988 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 ZINC000001174489 555668998 /nfs/dbraw/zinc/66/89/98/555668998.db2.gz CWNIJFNUSSUTBU-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001183572 555673110 /nfs/dbraw/zinc/67/31/10/555673110.db2.gz GXBNAKVGJHFNBI-DHZHZOJOSA-N 0 0 425.897 4.712 50 0 IJAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 ZINC000001185949 555674398 /nfs/dbraw/zinc/67/43/98/555674398.db2.gz FPCGVBRZIJIEQP-UHFFFAOYSA-N 0 0 447.516 4.709 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)c1 ZINC000001193802 555676106 /nfs/dbraw/zinc/67/61/06/555676106.db2.gz LIVVUXBLOXEAMB-MRXNPFEDSA-N 0 0 448.778 4.855 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000001205512 555680235 /nfs/dbraw/zinc/68/02/35/555680235.db2.gz LSAUTSPJNXCAKG-UHFFFAOYSA-N 0 0 439.265 4.980 50 0 IJAARN O=C(Cc1ccccc1)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001232898 555686962 /nfs/dbraw/zinc/68/69/62/555686962.db2.gz UVGIHQWBAFAVPG-OAHLLOKOSA-N 0 0 437.548 4.883 50 0 IJAARN COc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=S)c1 ZINC000001322240 555689979 /nfs/dbraw/zinc/68/99/79/555689979.db2.gz UCKCPSODOHUIHD-LADGPHEKSA-N 0 0 439.540 4.824 50 0 biogenic,in-vitro IJAARN Cc1cccc(NC(=O)CSc2nnc([C@H](O)c3ccccc3)n2-c2ccccc2)c1C ZINC000001437206 555697134 /nfs/dbraw/zinc/69/71/34/555697134.db2.gz BHZCURSSFGHQPU-HSZRJFAPSA-N 0 0 444.560 4.697 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1OC ZINC000001474820 555701476 /nfs/dbraw/zinc/70/14/76/555701476.db2.gz IUPUGSMZBNXCPT-UHFFFAOYSA-N 0 0 446.532 4.630 50 0 IJAARN COc1cc(OC)nc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 ZINC000001501513 555702095 /nfs/dbraw/zinc/70/20/95/555702095.db2.gz DSQDEEJRRAHCOZ-UHFFFAOYSA-N 0 0 425.488 4.931 50 0 IJAARN C[C@H]1Oc2ccccc2C=C1/C=C(\NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 ZINC000001802881 555717250 /nfs/dbraw/zinc/71/72/50/555717250.db2.gz KYBWVTHLELUYOY-LRSOKBAUSA-N 0 0 448.906 4.728 50 0 IJAARN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889628 555726036 /nfs/dbraw/zinc/72/60/36/555726036.db2.gz OUQLQFUZYGGYQZ-GOSISDBHSA-N 0 0 443.956 4.657 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 ZINC000002052753 555729504 /nfs/dbraw/zinc/72/95/04/555729504.db2.gz CBIUWHWQKCFSTP-UHFFFAOYSA-N 0 0 446.572 4.923 50 0 biogenic IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000002097989 555742347 /nfs/dbraw/zinc/74/23/47/555742347.db2.gz MUTGWIKAGKUBMS-SSDOTTSWSA-N 0 0 446.441 4.946 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002172710 555752434 /nfs/dbraw/zinc/75/24/34/555752434.db2.gz BLIFQMWYIQKZHL-HXUWFJFHSA-N 0 0 447.516 4.882 50 0 IJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000002219941 555759298 /nfs/dbraw/zinc/75/92/98/555759298.db2.gz JRNVRFJHBSYQPP-UHFFFAOYSA-N 0 0 427.382 4.988 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc3c2=O)cc1 ZINC000002263038 555763775 /nfs/dbraw/zinc/76/37/75/555763775.db2.gz VUMMDPRHDFJYFI-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN O=c1c2c(n3c(S)nnc3n1CCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002275403 555764687 /nfs/dbraw/zinc/76/46/87/555764687.db2.gz CMLFYALBGZJWCK-UHFFFAOYSA-N 0 0 442.588 4.847 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)N2C(=O)CCSC2=N1 ZINC000002278097 555764994 /nfs/dbraw/zinc/76/49/94/555764994.db2.gz QLPQXEOCWYHJFP-FQEVSTJZSA-N 0 0 426.925 4.734 50 0 IJAARN CC(C)NC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002287863 555765589 /nfs/dbraw/zinc/76/55/89/555765589.db2.gz IAENZIJVNOMJIH-WPRPVWTQSA-N 0 0 437.285 4.506 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccco1 ZINC000002405471 555776398 /nfs/dbraw/zinc/77/63/98/555776398.db2.gz JYNJYCPNIJUEEQ-IBGZPJMESA-N 0 0 436.261 4.894 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002432707 555778328 /nfs/dbraw/zinc/77/83/28/555778328.db2.gz APIRAOXZRGRDFB-QHCPKHFHSA-N 0 0 429.447 4.729 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 ZINC000002444422 555780039 /nfs/dbraw/zinc/78/00/39/555780039.db2.gz YQVDIYAPSRDOLY-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000002448461 555780762 /nfs/dbraw/zinc/78/07/62/555780762.db2.gz IBVLKSFFTBBDTC-UHFFFAOYSA-N 0 0 438.887 4.539 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 ZINC000002453830 555782324 /nfs/dbraw/zinc/78/23/24/555782324.db2.gz UMYOQCPXDPBFNM-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1 ZINC000002474747 555783490 /nfs/dbraw/zinc/78/34/90/555783490.db2.gz MJVVBWQZFWJWOP-DNVCBOLYSA-N 0 0 444.413 4.833 50 0 IJAARN Cc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)NCc3cccnc3)c2)cc1 ZINC000034686554 555801418 /nfs/dbraw/zinc/80/14/18/555801418.db2.gz IBKKZBCENRAPKC-UHFFFAOYSA-N 0 0 441.575 4.972 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)o1 ZINC000002736820 555806542 /nfs/dbraw/zinc/80/65/42/555806542.db2.gz ZEURUSOEJOIRIS-UHFFFAOYSA-N 0 0 438.487 4.853 50 0 IJAARN COc1cc2c(cc1N1CC[C@H](C(=O)N3CCc4ccccc4C3)C1=O)oc1ccccc12 ZINC000034696278 555810848 /nfs/dbraw/zinc/81/08/48/555810848.db2.gz CUVZJXDXSBFAAU-HXUWFJFHSA-N 0 0 440.499 4.532 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1NC(=O)c1ccccc1 ZINC000002758221 555811806 /nfs/dbraw/zinc/81/18/06/555811806.db2.gz RGDFLNYTVZEXNI-UHFFFAOYSA-N 0 0 438.505 4.746 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000034680911 555814021 /nfs/dbraw/zinc/81/40/21/555814021.db2.gz CCMFZMJJPOWJSY-UHFFFAOYSA-N 0 0 448.954 4.648 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)nc2)c1C ZINC000034681233 555814325 /nfs/dbraw/zinc/81/43/25/555814325.db2.gz DDYLCFYGISPNTG-UHFFFAOYSA-N 0 0 435.572 4.571 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000002770277 555815373 /nfs/dbraw/zinc/81/53/73/555815373.db2.gz QDHRVPYQLGBAKN-UHFFFAOYSA-N 0 0 436.418 4.681 50 0 IJAARN COc1ccccc1CN1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cn2)CC1 ZINC000034682052 555815727 /nfs/dbraw/zinc/81/57/27/555815727.db2.gz OZYDMXQGLPCQIZ-UHFFFAOYSA-N 0 0 445.567 4.673 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034683884 555819517 /nfs/dbraw/zinc/81/95/17/555819517.db2.gz FWNBOPDTMOLNSK-UHFFFAOYSA-N 0 0 446.519 4.726 50 0 IJAARN Cc1cccc(CNC(=O)c2cccc(CN3CCN(c4ccccc4Cl)CC3)c2)c1 ZINC000034684437 555819763 /nfs/dbraw/zinc/81/97/63/555819763.db2.gz DGCURNWPPCGZPI-UHFFFAOYSA-N 0 0 433.983 4.901 50 0 IJAARN CCc1ccc([C@H]2C[C@@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1 ZINC000034709969 555824066 /nfs/dbraw/zinc/82/40/66/555824066.db2.gz STUUILUCVDKWKU-BJKOFHAPSA-N 0 0 436.571 4.827 50 0 IJAARN Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1C ZINC000002819010 555829431 /nfs/dbraw/zinc/82/94/31/555829431.db2.gz CKNJWXHCIYFVJV-HSZRJFAPSA-N 0 0 433.479 4.922 50 0 IJAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000002836608 555833188 /nfs/dbraw/zinc/83/31/88/555833188.db2.gz NDYSKWQCNUYINQ-AWEZNQCLSA-N 0 0 445.386 4.697 50 0 IJAARN Cc1cc(Br)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1C ZINC000002836680 555833496 /nfs/dbraw/zinc/83/34/96/555833496.db2.gz BNZQLUTVAYHANT-UHFFFAOYSA-N 0 0 432.343 4.771 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000002840355 555835031 /nfs/dbraw/zinc/83/50/31/555835031.db2.gz UQRIQCSVYYSEOG-APWZRJJASA-N 0 0 443.429 4.590 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)c(C)c2C)n1C ZINC000002840729 555835233 /nfs/dbraw/zinc/83/52/33/555835233.db2.gz PHHXEPJUFJKZPN-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)c(Cl)c1Cl ZINC000002853369 555840391 /nfs/dbraw/zinc/84/03/91/555840391.db2.gz ZGPDFJRKXJDFOF-UHFFFAOYSA-N 0 0 429.094 4.704 50 0 IJAARN CSc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002855996 555841722 /nfs/dbraw/zinc/84/17/22/555841722.db2.gz OXGLBFASSXNWIM-UHFFFAOYSA-N 0 0 426.563 4.794 50 0 IJAARN CCOC(=O)c1sc(NC(=S)Nc2ccc3c(c2)CCC3)c(C(=O)OCC)c1C ZINC000002858197 555842928 /nfs/dbraw/zinc/84/29/28/555842928.db2.gz OUOXLXAEOGJAGS-UHFFFAOYSA-N 0 0 432.567 4.708 50 0 IJAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 ZINC000002862013 555845101 /nfs/dbraw/zinc/84/51/01/555845101.db2.gz DKFPDWYUACGDAW-UHFFFAOYSA-N 0 0 429.958 4.854 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccnc1 ZINC000002865775 555847039 /nfs/dbraw/zinc/84/70/39/555847039.db2.gz PSZBQAWHSSFDOI-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002867630 555848107 /nfs/dbraw/zinc/84/81/07/555848107.db2.gz HZCDRRZSFIDJSM-UHFFFAOYSA-N 0 0 437.499 4.627 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)CCCc2ccccc2)c1C ZINC000002879412 555854317 /nfs/dbraw/zinc/85/43/17/555854317.db2.gz FIWWHQLWPQSXKO-UHFFFAOYSA-N 0 0 430.504 4.995 50 0 IJAARN COC(=O)c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)sc1NC(=O)c1ccccc1F ZINC000002881002 555855201 /nfs/dbraw/zinc/85/52/01/555855201.db2.gz WPCOCMQWMQKRCK-AWEZNQCLSA-N 0 0 440.496 4.726 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc(Br)cc1 ZINC000010544977 555863632 /nfs/dbraw/zinc/86/36/32/555863632.db2.gz ZBIOQQWUCWMNEN-INIZCTEOSA-N 0 0 440.341 4.695 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000034723719 555864210 /nfs/dbraw/zinc/86/42/10/555864210.db2.gz GGOHUBHUOOCXOG-UHFFFAOYSA-N 0 0 443.547 4.736 50 0 IJAARN Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(Br)cc1 ZINC000002952167 555865976 /nfs/dbraw/zinc/86/59/76/555865976.db2.gz LSQBFMNUZSYHQD-UHFFFAOYSA-N 0 0 437.337 4.925 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000002958879 555867319 /nfs/dbraw/zinc/86/73/19/555867319.db2.gz BIMSUQOEQHTYAV-SFHVURJKSA-N 0 0 442.968 4.721 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1 ZINC000002979157 555871166 /nfs/dbraw/zinc/87/11/66/555871166.db2.gz XIXXTDIFPPQPGD-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(C)cc2)cc1 ZINC000002982450 555872842 /nfs/dbraw/zinc/87/28/42/555872842.db2.gz NAKGXCWNOKJLAB-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN Cc1ccc(OCCOCCOc2cccc3cccnc32)c(I)c1 ZINC000002983653 555873411 /nfs/dbraw/zinc/87/34/11/555873411.db2.gz DVZBKQBNSPYVHL-UHFFFAOYSA-N 0 0 449.288 4.622 50 0 IJAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000003004720 555878165 /nfs/dbraw/zinc/87/81/65/555878165.db2.gz CYYONMRKDWZZKA-UHFFFAOYSA-N 0 0 439.986 4.668 50 0 IJAARN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000034724828 555881725 /nfs/dbraw/zinc/88/17/25/555881725.db2.gz WPCQUNJCNNTEQP-UHFFFAOYSA-N 0 0 445.538 4.787 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)c3ccc(Br)cc3Br)ccc12 ZINC000034780983 555893630 /nfs/dbraw/zinc/89/36/30/555893630.db2.gz MEUONYPJUVVBQM-UHFFFAOYSA-N 0 0 438.071 4.846 50 0 IJAARN COc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccs2)CC3)c1 ZINC000034755566 555900387 /nfs/dbraw/zinc/90/03/87/555900387.db2.gz JWGYHHJMNSHPNO-UHFFFAOYSA-N 0 0 436.581 4.888 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813161 555910031 /nfs/dbraw/zinc/91/00/31/555910031.db2.gz KENFCBNVZFWQTO-INIZCTEOSA-N 0 0 433.533 4.787 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034813486 555910361 /nfs/dbraw/zinc/91/03/61/555910361.db2.gz LISWRXUBJXVBSE-QGZVFWFLSA-N 0 0 445.494 4.865 50 0 IJAARN C[C@@H]1CCCCN1c1nnc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000034838143 555914584 /nfs/dbraw/zinc/91/45/84/555914584.db2.gz KDSRTVKHCFMAPG-OAHLLOKOSA-N 0 0 428.458 4.957 50 0 IJAARN COc1ccc(-c2n[nH]c(C3CCOCC3)c2NC(=O)c2cc(F)cc(F)c2)cc1OC ZINC000034794010 555917158 /nfs/dbraw/zinc/91/71/58/555917158.db2.gz UMPBJPFBAIKRSU-UHFFFAOYSA-N 0 0 443.450 4.518 50 0 IJAARN CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000034905291 555919499 /nfs/dbraw/zinc/91/94/99/555919499.db2.gz KAAQVIUPELZXJC-WOJBJXKFSA-N 0 0 443.613 4.768 50 0 IJAARN O=C(NCCc1ccccn1)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1 ZINC000034900829 555929295 /nfs/dbraw/zinc/92/92/95/555929295.db2.gz FBXPJVYWBMUREX-HXUWFJFHSA-N 0 0 431.584 4.512 50 0 IJAARN O=C(NC1CCCCC1)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916922 555930572 /nfs/dbraw/zinc/93/05/72/555930572.db2.gz SZWYOUYMMCNGQU-CYBMUJFWSA-N 0 0 436.396 4.522 50 0 IJAARN O=C(C1CCCCC1)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921345 555931845 /nfs/dbraw/zinc/93/18/45/555931845.db2.gz RVJYRJXDHIXASC-UHFFFAOYSA-N 0 0 431.529 4.665 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1 ZINC000034927368 555933255 /nfs/dbraw/zinc/93/32/55/555933255.db2.gz LFRSCBIACXNTLD-UHFFFAOYSA-N 0 0 449.498 4.805 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1 ZINC000003631682 555942060 /nfs/dbraw/zinc/94/20/60/555942060.db2.gz GZTHSFIBWBUOJN-UHFFFAOYSA-N 0 0 445.592 4.934 50 0 IJAARN Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NCCC3=CCCCC3)nn2c1C ZINC000003631668 555942062 /nfs/dbraw/zinc/94/20/62/555942062.db2.gz DCJILRWMETVUDA-UHFFFAOYSA-N 0 0 449.624 4.739 50 0 IJAARN Cc1nc2nc(SCC(=O)NC3CCCCC3)nn2c(C)c1Cc1ccc(Cl)cc1 ZINC000003638092 555942384 /nfs/dbraw/zinc/94/23/84/555942384.db2.gz SZMWZIFRZLGEMA-UHFFFAOYSA-N 0 0 444.004 4.526 50 0 IJAARN CC(=O)O[C@H]1C=C2C(C)=C[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000003881604 555950578 /nfs/dbraw/zinc/95/05/78/555950578.db2.gz SDHHPVPFUVQWKY-GASPXHKJSA-N 0 0 428.569 4.938 50 0 biogenic IJAARN O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F ZINC000003947932 555951464 /nfs/dbraw/zinc/95/14/64/555951464.db2.gz TWQYWUXBZHPIIV-UHFFFAOYSA-N 0 0 449.260 4.702 50 0 investigational IJAARN CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1OC ZINC000004113719 555963750 /nfs/dbraw/zinc/96/37/50/555963750.db2.gz YIJPKUFCQCDLMX-QFIPXVFZSA-N 0 0 430.545 4.768 50 0 IJAARN CC(C)N(C(=O)Cn1c2c(sc1=NC(=O)Cc1ccccc1)CCCC2)c1ccccc1 ZINC000004531433 555999637 /nfs/dbraw/zinc/99/96/37/555999637.db2.gz WWJQTMXZNAQHCM-RQZHXJHFSA-N 0 0 447.604 4.540 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000004555348 556001114 /nfs/dbraw/zinc/00/11/14/556001114.db2.gz CKLKKWBLEXLAJO-BSGPVTAHSA-N 0 0 429.560 4.905 50 0 IJAARN O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)NCc1ccccc1 ZINC000006142513 556077536 /nfs/dbraw/zinc/07/75/36/556077536.db2.gz PTMGCMLJRSHNJI-UHFFFAOYSA-N 0 0 434.952 4.996 50 0 IJAARN Brc1ccc(-c2noc(-c3ccc(I)cc3)n2)cc1 ZINC000002311795 556078288 /nfs/dbraw/zinc/07/82/88/556078288.db2.gz BZKJUWVLNPGGFX-UHFFFAOYSA-N 0 0 427.039 4.771 50 0 IJAARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000006237728 556081638 /nfs/dbraw/zinc/08/16/38/556081638.db2.gz TUXITTJAXFHJRU-DEOSSOPVSA-N 0 0 444.487 4.729 50 0 IJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NC3CCCCC3)n2n1 ZINC000006739398 556102613 /nfs/dbraw/zinc/10/26/13/556102613.db2.gz TVLJBPGKGJUWEQ-UHFFFAOYSA-N 0 0 425.540 4.923 50 0 IJAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(OC)cc1)C[C@@H]2C(F)(F)F ZINC000006821302 556105106 /nfs/dbraw/zinc/10/51/06/556105106.db2.gz STQAOONVQUCQKU-ZLKJLUDKSA-N 0 0 430.858 4.734 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)o2)c(OC)c1 ZINC000018596876 556114807 /nfs/dbraw/zinc/11/48/07/556114807.db2.gz LSFWZUOXGMRYQL-LBPRGKRZSA-N 0 0 433.917 4.835 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2F)cc1 ZINC000002648385 556117536 /nfs/dbraw/zinc/11/75/36/556117536.db2.gz XYRRAXUOBIRXPQ-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1cccc(F)c1 ZINC000002691853 556120346 /nfs/dbraw/zinc/12/03/46/556120346.db2.gz FAAPAYNRWGGTFW-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN CCc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(OC)cc3)c2c1 ZINC000002692664 556120508 /nfs/dbraw/zinc/12/05/08/556120508.db2.gz HSYOXOHSXIYMCL-UHFFFAOYSA-N 0 0 431.513 4.870 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cccc(Cl)c1 ZINC000002691101 556122067 /nfs/dbraw/zinc/12/20/67/556122067.db2.gz MHSBIBJHBCGNNJ-UHFFFAOYSA-N 0 0 439.920 4.545 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002704398 556123571 /nfs/dbraw/zinc/12/35/71/556123571.db2.gz MTISPGVLQAHILE-GOSISDBHSA-N 0 0 433.489 4.526 50 0 IJAARN Cc1ccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4C)cccc3C2=O)cc1 ZINC000002716421 556130776 /nfs/dbraw/zinc/13/07/76/556130776.db2.gz IIHBQJLBOGNTPD-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 aggregator IJAARN Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)c1 ZINC000002716592 556131266 /nfs/dbraw/zinc/13/12/66/556131266.db2.gz KAORMSQKFVRFFC-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000002717598 556131333 /nfs/dbraw/zinc/13/13/33/556131333.db2.gz ATDNXQGFFKMKIT-NRFANRHFSA-N 0 0 428.598 4.700 50 0 IJAARN Cc1nn(C)cc1-c1csc(NC(=O)c2ccccc2COc2ccc(F)cc2F)n1 ZINC000002729421 556133792 /nfs/dbraw/zinc/13/37/92/556133792.db2.gz OLUYVVQILUYZFN-UHFFFAOYSA-N 0 0 440.475 4.962 50 0 IJAARN CCn1cc(-c2cc(C(=O)N(C)Cc3c(Cl)cnn3CC)c3ccccc3n2)c(C)n1 ZINC000002808411 556146709 /nfs/dbraw/zinc/14/67/09/556146709.db2.gz RFXNPGNNLAPNMK-UHFFFAOYSA-N 0 0 436.947 4.569 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 ZINC000002994754 556156137 /nfs/dbraw/zinc/15/61/37/556156137.db2.gz YYNNISITPYUHFV-UHFFFAOYSA-N 0 0 446.594 4.719 50 0 IJAARN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)Cc3ccccc3)ccc2F)cc1 ZINC000003024697 556157289 /nfs/dbraw/zinc/15/72/89/556157289.db2.gz WVZKXCCFZPFHTJ-UHFFFAOYSA-N 0 0 440.540 4.851 50 0 IJAARN COc1ccccc1CCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)c(C)c1 ZINC000008414241 556167417 /nfs/dbraw/zinc/16/74/17/556167417.db2.gz UKZTYLDCULARLU-JWGURIENSA-N 0 0 434.561 4.503 50 0 IJAARN COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000008440005 556176161 /nfs/dbraw/zinc/17/61/61/556176161.db2.gz JNYDVVWYTHQFGT-UHFFFAOYSA-N 0 0 443.521 4.567 50 0 IJAARN COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc(OC)c1OC ZINC000008452518 556182767 /nfs/dbraw/zinc/18/27/67/556182767.db2.gz RAAURBKSKIIFJQ-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C ZINC000008454523 556185231 /nfs/dbraw/zinc/18/52/31/556185231.db2.gz DTLAOKQZWWIRTJ-UHFFFAOYSA-N 0 0 433.570 4.955 50 0 IJAARN CCCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CCCCC2 ZINC000008456223 556185780 /nfs/dbraw/zinc/18/57/80/556185780.db2.gz HJLRRLHSJOTAAR-UHFFFAOYSA-N 0 0 431.554 4.782 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccc(Br)cc2)oc1N1CCCCC1 ZINC000003066756 556187468 /nfs/dbraw/zinc/18/74/68/556187468.db2.gz BHKUMNYWOTYSJJ-UHFFFAOYSA-N 0 0 443.278 4.986 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(Cc3cccs3)C2=O)c1 ZINC000008591757 556189241 /nfs/dbraw/zinc/18/92/41/556189241.db2.gz DMEPKPZQXQXTJS-FQEVSTJZSA-N 0 0 437.496 4.562 50 0 IJAARN Cc1ccc2occ(CC(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611972 556191980 /nfs/dbraw/zinc/19/19/80/556191980.db2.gz PMXFZBONQCTPOC-JOCHJYFZSA-N 0 0 439.577 4.623 50 0 IJAARN COc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000008722454 556203399 /nfs/dbraw/zinc/20/33/99/556203399.db2.gz ZBKQWFGIDSOCMW-XDHOZWIPSA-N 0 0 437.293 4.704 50 0 IJAARN Cc1cc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)no1 ZINC000008738044 556205183 /nfs/dbraw/zinc/20/51/83/556205183.db2.gz CWRGJWIGHPEYKK-UHFFFAOYSA-N 0 0 433.902 4.541 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000008739919 556206179 /nfs/dbraw/zinc/20/61/79/556206179.db2.gz SAKWQXRIFVXULW-HUUCEWRRSA-N 0 0 440.638 4.628 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000008739917 556206255 /nfs/dbraw/zinc/20/62/55/556206255.db2.gz SAKWQXRIFVXULW-CABCVRRESA-N 0 0 440.638 4.628 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008844300 556226835 /nfs/dbraw/zinc/22/68/35/556226835.db2.gz XPSGLFQSSKEOCN-UHFFFAOYSA-N 0 0 425.444 4.540 50 0 IJAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCCO3)c(=O)oc12 ZINC000008994825 556239475 /nfs/dbraw/zinc/23/94/75/556239475.db2.gz LHIIOUFBNIJRDY-GOSISDBHSA-N 0 0 449.478 4.800 50 0 IJAARN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc3ccccc31)N2c1ccc(Cl)cc1 ZINC000009060788 556244247 /nfs/dbraw/zinc/24/42/47/556244247.db2.gz IUUISDBAXDFPHJ-RTWAWAEBSA-N 0 0 442.993 4.768 50 0 IJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1Br ZINC000009190301 556252893 /nfs/dbraw/zinc/25/28/93/556252893.db2.gz WBGRGYACFTVHRS-UHFFFAOYSA-N 0 0 425.261 4.883 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1 ZINC000009225806 556260053 /nfs/dbraw/zinc/26/00/53/556260053.db2.gz KGQDNWSOWZKFNP-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239622 556266371 /nfs/dbraw/zinc/26/63/71/556266371.db2.gz KZXHVGWJMLBBRF-VXKWHMMOSA-N 0 0 435.597 4.808 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000009260922 556268745 /nfs/dbraw/zinc/26/87/45/556268745.db2.gz ASJZNKZNABXZGR-GHTZIAJQSA-N 0 0 436.581 4.633 50 0 IJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 ZINC000009288232 556272404 /nfs/dbraw/zinc/27/24/04/556272404.db2.gz MDKYJADJRDEDQX-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 ZINC000009287913 556272429 /nfs/dbraw/zinc/27/24/29/556272429.db2.gz BDNOOOWNKIDZOU-RUZDIDTESA-N 0 0 434.580 4.842 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000009287902 556272499 /nfs/dbraw/zinc/27/24/99/556272499.db2.gz PZODSESFAZEWNZ-XMMPIXPASA-N 0 0 438.543 4.591 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294995 556274533 /nfs/dbraw/zinc/27/45/33/556274533.db2.gz AYZXOOAIBODGQD-OALUTQOASA-N 0 0 445.951 4.729 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294979 556274539 /nfs/dbraw/zinc/27/45/39/556274539.db2.gz OXUAGARAZZCIIP-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN O=C1S/C(=C/c2ccc(O)c(I)c2)C(=O)N1CC1CCCCC1 ZINC000009323573 556281412 /nfs/dbraw/zinc/28/14/12/556281412.db2.gz UYNZPSADLVHZNN-OQLLNIDSSA-N 0 0 443.306 4.613 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccc(Br)cc1-2 ZINC000009556370 556298019 /nfs/dbraw/zinc/29/80/19/556298019.db2.gz JTALNYWDLLBEKD-MRXNPFEDSA-N 0 0 430.331 4.701 50 0 IJAARN COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2OC)c1 ZINC000013778871 556308292 /nfs/dbraw/zinc/30/82/92/556308292.db2.gz ZOFIYRZUABDNKY-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000013838509 556317154 /nfs/dbraw/zinc/31/71/54/556317154.db2.gz IXRWEOQTNHCHEG-UHFFFAOYSA-N 0 0 445.382 4.868 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1C1CCCC1)Nc1cccc(F)c1 ZINC000009934301 556318316 /nfs/dbraw/zinc/31/83/16/556318316.db2.gz MXBNDGDGXWVRDD-IBGZPJMESA-N 0 0 429.879 4.588 50 0 IJAARN CCCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 ZINC000010040845 556323338 /nfs/dbraw/zinc/32/33/38/556323338.db2.gz PDUBRSBEEJDMKI-UHFFFAOYSA-N 0 0 448.585 4.595 50 0 IJAARN Clc1ccccc1-c1nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)no1 ZINC000032754553 556323645 /nfs/dbraw/zinc/32/36/45/556323645.db2.gz DBYZUTIRLHTQPG-HNNXBMFYSA-N 0 0 428.857 4.578 50 0 IJAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000013880741 556325923 /nfs/dbraw/zinc/32/59/23/556325923.db2.gz WLIMEABDPIMALC-VCHYOVAHSA-N 0 0 430.913 4.640 50 0 IJAARN O=c1oc2ccccc2n1CCSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000032777212 556328555 /nfs/dbraw/zinc/32/85/55/556328555.db2.gz VXOAYUBDHWRELU-UHFFFAOYSA-N 0 0 434.546 4.620 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(F)ccc3F)c2c1 ZINC000010273881 556329026 /nfs/dbraw/zinc/32/90/26/556329026.db2.gz UULXMUCYGOUFRC-UHFFFAOYSA-N 0 0 449.457 4.539 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(C)cc(C)c3)c2c1 ZINC000010273882 556329046 /nfs/dbraw/zinc/32/90/46/556329046.db2.gz POWUVQQQAJESAQ-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)cc1 ZINC000013899359 556330817 /nfs/dbraw/zinc/33/08/17/556330817.db2.gz JXSWZCONIROERE-OAQYLSRUSA-N 0 0 448.950 4.897 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCc3nc(-c4cccs4)no3)sc2C)cc1 ZINC000032768172 556333287 /nfs/dbraw/zinc/33/32/87/556333287.db2.gz RNKJPYHEPDQBKE-UHFFFAOYSA-N 0 0 426.523 4.810 50 0 IJAARN CCCCc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(CCCC)C3)cc2)cc1 ZINC000010461807 556335257 /nfs/dbraw/zinc/33/52/57/556335257.db2.gz IHHRRHWBNDDWPR-OAQYLSRUSA-N 0 0 435.568 4.869 50 0 IJAARN COc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000013936084 556336001 /nfs/dbraw/zinc/33/60/01/556336001.db2.gz QFRCKDBZZDVWIS-UHFFFAOYSA-N 0 0 447.969 4.958 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000032558747 556336869 /nfs/dbraw/zinc/33/68/69/556336869.db2.gz SYOOVLYWFLOVKY-NRFANRHFSA-N 0 0 443.528 4.919 50 0 IJAARN O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1cccs1 ZINC000013940277 556337895 /nfs/dbraw/zinc/33/78/95/556337895.db2.gz KPIZJYKGIGLXTD-VKAVYKQESA-N 0 0 433.371 4.684 50 0 IJAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)N(C)C)c3ccccc3n2C)cc1 ZINC000013945674 556342677 /nfs/dbraw/zinc/34/26/77/556342677.db2.gz GTYLNSJODVCBJQ-HHHXNRCGSA-N 0 0 437.543 4.787 50 0 IJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2ccnc2C)cc1 ZINC000011663268 556344316 /nfs/dbraw/zinc/34/43/16/556344316.db2.gz BJESYJVFMIGYKG-AREMUKBSSA-N 0 0 428.536 4.636 50 0 IJAARN O=C(CCc1ccccc1)Nc1ccnn1C1CCN(Cc2c(F)ccc(F)c2F)CC1 ZINC000011767376 556349584 /nfs/dbraw/zinc/34/95/84/556349584.db2.gz HBGGRVVOLYSKJX-UHFFFAOYSA-N 0 0 442.485 4.709 50 0 IJAARN CC(=O)c1cc(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cs1 ZINC000011772739 556350492 /nfs/dbraw/zinc/35/04/92/556350492.db2.gz MIUVNEGIQAZKSS-IBGZPJMESA-N 0 0 425.529 4.648 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c3ccccc3n2)o1 ZINC000032788506 556350671 /nfs/dbraw/zinc/35/06/71/556350671.db2.gz NZTYBILDDFBUIS-UHFFFAOYSA-N 0 0 440.503 4.793 50 0 IJAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032789126 556350729 /nfs/dbraw/zinc/35/07/29/556350729.db2.gz NJYXUFVPQBWWHL-AWEZNQCLSA-N 0 0 434.487 4.708 50 0 IJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000032795082 556356002 /nfs/dbraw/zinc/35/60/02/556356002.db2.gz CXLJLUOHFBVHHQ-INIZCTEOSA-N 0 0 436.383 4.728 50 0 IJAARN Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)C3CCOCC3)CC2)c1 ZINC000011814652 556357941 /nfs/dbraw/zinc/35/79/41/556357941.db2.gz XADXGIJBXKXGQH-UHFFFAOYSA-N 0 0 442.563 4.647 50 0 IJAARN COc1ccc([C@@H](NC(=O)COc2cccc(Br)c2)c2ccccc2)cc1 ZINC000014071390 556361152 /nfs/dbraw/zinc/36/11/52/556361152.db2.gz KABUPTZNLONZGJ-QFIPXVFZSA-N 0 0 426.310 4.742 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071005 556361172 /nfs/dbraw/zinc/36/11/72/556361172.db2.gz NOLPAWNSOQYUMK-MRXNPFEDSA-N 0 0 437.590 4.531 50 0 IJAARN Cc1sc2[nH]c(SCC(=O)NCc3ccccc3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000014094001 556366158 /nfs/dbraw/zinc/36/61/58/556366158.db2.gz FIBLAYRCTOGFSJ-UHFFFAOYSA-N 0 0 439.537 4.508 50 0 IJAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O ZINC000014095525 556367150 /nfs/dbraw/zinc/36/71/50/556367150.db2.gz OZPBABXGJJGHOC-KRWDZBQOSA-N 0 0 426.358 4.963 50 0 IJAARN COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000014095586 556367604 /nfs/dbraw/zinc/36/76/04/556367604.db2.gz OOCHRIKFROCSBT-QGZVFWFLSA-N 0 0 439.339 4.794 50 0 IJAARN CCn1c(SCC(=O)Nc2nc3c(cc(C)cc3C)s2)nnc1-c1cccs1 ZINC000014110751 556369533 /nfs/dbraw/zinc/36/95/33/556369533.db2.gz OXUULJVUSKQWSN-UHFFFAOYSA-N 0 0 429.596 4.984 50 0 IJAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(COC)s2)C1 ZINC000011878816 556371376 /nfs/dbraw/zinc/37/13/76/556371376.db2.gz FIOBRSLEGPLKNW-QFIPXVFZSA-N 0 0 435.973 4.576 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011879326 556371696 /nfs/dbraw/zinc/37/16/96/556371696.db2.gz QSOLYSMDCCZTHY-GOSISDBHSA-N 0 0 428.488 4.794 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014122006 556372249 /nfs/dbraw/zinc/37/22/49/556372249.db2.gz RVLQTQXXDJDNAA-DENIHFKCSA-N 0 0 431.561 4.967 50 0 IJAARN COc1ccc(C[C@]2(CCC(=O)NC[C@H](C)c3ccccc3)CCC(=O)N2)c2ccccc12 ZINC000011881102 556372928 /nfs/dbraw/zinc/37/29/28/556372928.db2.gz ZKOVVMMZQHXEBU-MMTVBGGISA-N 0 0 444.575 4.740 50 0 IJAARN Cc1nc(CC(=O)NC[C@H]2Cc3cc(C)cc(-c4ccc5nc(C)ccc5c4)c3O2)cs1 ZINC000011912991 556375931 /nfs/dbraw/zinc/37/59/31/556375931.db2.gz SMEATYKVADXHNN-JOCHJYFZSA-N 0 0 443.572 4.946 50 0 IJAARN COc1cc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)ccc1F ZINC000011932954 556376584 /nfs/dbraw/zinc/37/65/84/556376584.db2.gz UJGIHKBTDAEVNK-UHFFFAOYSA-N 0 0 426.532 4.504 50 0 IJAARN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014166285 556379819 /nfs/dbraw/zinc/37/98/19/556379819.db2.gz SBXZMZQXEFZVAE-FQEVSTJZSA-N 0 0 436.577 4.630 50 0 IJAARN Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000014168144 556380575 /nfs/dbraw/zinc/38/05/75/556380575.db2.gz UYXJRAPKIOTSMT-GOSISDBHSA-N 0 0 446.341 4.661 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3ccsc3)CC2)c(Cl)c1 ZINC000011957195 556381019 /nfs/dbraw/zinc/38/10/19/556381019.db2.gz KMNJPRMYUIZVQY-UHFFFAOYSA-N 0 0 432.973 4.758 50 0 IJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000014197347 556388741 /nfs/dbraw/zinc/38/87/41/556388741.db2.gz FAKNGFDCKVHADQ-UHFFFAOYSA-N 0 0 437.499 4.618 50 0 IJAARN CC(=O)Nc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1 ZINC000012031171 556388951 /nfs/dbraw/zinc/38/89/51/556388951.db2.gz ITOPTOBYTMXCEV-QHCPKHFHSA-N 0 0 430.552 4.936 50 0 IJAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000032816642 556392706 /nfs/dbraw/zinc/39/27/06/556392706.db2.gz RNKWUQOKEPCGFP-FQEVSTJZSA-N 0 0 428.532 4.560 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc(OCc2cscn2)c1 ZINC000014202433 556392787 /nfs/dbraw/zinc/39/27/87/556392787.db2.gz LFCQKUSKGGAFGX-UHFFFAOYSA-N 0 0 443.956 4.785 50 0 IJAARN O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000012052782 556392828 /nfs/dbraw/zinc/39/28/28/556392828.db2.gz BQHWLSPAKBLLOT-RUZDIDTESA-N 0 0 426.560 4.831 50 0 IJAARN Cc1ccccc1OC1CCN(C(=O)CCc2nnc(CCCCc3ccccc3)o2)CC1 ZINC000012054382 556393476 /nfs/dbraw/zinc/39/34/76/556393476.db2.gz KGVBBDQGJVUAET-UHFFFAOYSA-N 0 0 447.579 4.946 50 0 IJAARN COc1ccc(-c2nc(S[C@H](CC(=O)NCc3ccco3)c3ccc(C)cc3)n[nH]2)cc1 ZINC000012080333 556398505 /nfs/dbraw/zinc/39/85/05/556398505.db2.gz OBDZDGJHXPRWBU-OAQYLSRUSA-N 0 0 448.548 4.922 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014239055 556400551 /nfs/dbraw/zinc/40/05/51/556400551.db2.gz VCRJFAQVRLSXOH-AREMUKBSSA-N 0 0 449.982 4.733 50 0 IJAARN O=C(CCCCc1nc2ccccc2s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014242326 556402854 /nfs/dbraw/zinc/40/28/54/556402854.db2.gz SKZLJVWSMUDTAM-UHFFFAOYSA-N 0 0 434.565 4.516 50 0 IJAARN COc1cc(CNC(=O)c2cccnc2SC(F)F)ccc1OCc1ccccc1 ZINC000014244203 556403945 /nfs/dbraw/zinc/40/39/45/556403945.db2.gz HHVDSUCKDFOBNH-UHFFFAOYSA-N 0 0 430.476 4.914 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(F)cc4F)cc3)n2)cc1 ZINC000032578899 556406087 /nfs/dbraw/zinc/40/60/87/556406087.db2.gz VEDDNRJWHMKJEM-UHFFFAOYSA-N 0 0 435.430 4.685 50 0 IJAARN CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)cc21 ZINC000032593473 556406940 /nfs/dbraw/zinc/40/69/40/556406940.db2.gz BJFLQXREDPCAGB-UHFFFAOYSA-N 0 0 445.519 4.998 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)N(Cc2ccccc2)C3=O)cc1 ZINC000032594200 556407682 /nfs/dbraw/zinc/40/76/82/556407682.db2.gz VFFHDBQZOGNIOO-VWLOTQADSA-N 0 0 441.487 4.545 50 0 IJAARN O=C(Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21)c1ccc(Cl)cc1 ZINC000032597593 556408062 /nfs/dbraw/zinc/40/80/62/556408062.db2.gz IDPAFACLHAHOLN-FZKQIMNGSA-N 0 0 429.950 4.692 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1C ZINC000032623522 556410724 /nfs/dbraw/zinc/41/07/24/556410724.db2.gz LKQUCEHHFPBFTG-RUZDIDTESA-N 0 0 447.579 4.885 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccccc4OC)cc3)n2)cc1 ZINC000032624037 556411227 /nfs/dbraw/zinc/41/12/27/556411227.db2.gz GZUXSGOMCXMOIS-MRXNPFEDSA-N 0 0 445.475 4.827 50 0 IJAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 ZINC000014308734 556412921 /nfs/dbraw/zinc/41/29/21/556412921.db2.gz OBNNPOMSVHCMGR-IBGZPJMESA-N 0 0 443.551 4.931 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000032672052 556414873 /nfs/dbraw/zinc/41/48/73/556414873.db2.gz FGRBHFIGTAIVFM-UHFFFAOYSA-N 0 0 444.365 4.768 50 0 IJAARN Cc1sc2nc(C)nc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)c2c1C ZINC000032829867 556416432 /nfs/dbraw/zinc/41/64/32/556416432.db2.gz OZJZBVAIXUZPOY-UHFFFAOYSA-N 0 0 434.487 4.598 50 0 IJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000014526335 556420059 /nfs/dbraw/zinc/42/00/59/556420059.db2.gz GAPWKLIUTBIHKH-MRXNPFEDSA-N 0 0 435.915 4.728 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000012975910 556421636 /nfs/dbraw/zinc/42/16/36/556421636.db2.gz FVNYDMCMQLRGTM-HXUWFJFHSA-N 0 0 439.577 4.745 50 0 IJAARN COc1cc(CN(C(=O)c2ccc(Br)cc2)C2CC2)ccc1OC(F)F ZINC000012985056 556426217 /nfs/dbraw/zinc/42/62/17/556426217.db2.gz QHIAHNRPZKKTCZ-UHFFFAOYSA-N 0 0 426.257 4.864 50 0 IJAARN CCc1ccccc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012986914 556427366 /nfs/dbraw/zinc/42/73/66/556427366.db2.gz TYCNMFKFBJWPCO-MHZLTWQESA-N 0 0 430.548 4.852 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1c(C)cccc1C)CC2 ZINC000012989448 556428227 /nfs/dbraw/zinc/42/82/27/556428227.db2.gz XXNYTYCWHSDGKE-VWLOTQADSA-N 0 0 436.577 4.968 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000032845668 556429396 /nfs/dbraw/zinc/42/93/96/556429396.db2.gz GRQOQWJWRBVQAU-XMMPIXPASA-N 0 0 430.573 4.941 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000032845666 556429473 /nfs/dbraw/zinc/42/94/73/556429473.db2.gz GRQOQWJWRBVQAU-DEOSSOPVSA-N 0 0 430.573 4.941 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1C ZINC000032856074 556433689 /nfs/dbraw/zinc/43/36/89/556433689.db2.gz KJJLWLCDHJLNBR-HNNXBMFYSA-N 0 0 429.567 4.619 50 0 IJAARN CCN1C[C@H](CN(C)C(=O)c2cc(-c3cccs3)nc3onc(C)c32)Oc2ccccc21 ZINC000032856139 556433701 /nfs/dbraw/zinc/43/37/01/556433701.db2.gz KFYMPXYEGIUFIG-INIZCTEOSA-N 0 0 448.548 4.619 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000013002126 556433814 /nfs/dbraw/zinc/43/38/14/556433814.db2.gz XIAZZFJIUJQGDK-GOSISDBHSA-N 0 0 432.520 4.738 50 0 IJAARN COCCCn1c(SC[C@@H]2CN=C(c3ccccc3)O2)nnc1-c1ccccc1Cl ZINC000013008740 556435359 /nfs/dbraw/zinc/43/53/59/556435359.db2.gz IVFMXPUNSOUHSK-KRWDZBQOSA-N 0 0 442.972 4.573 50 0 IJAARN Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000013011799 556436018 /nfs/dbraw/zinc/43/60/18/556436018.db2.gz VRBRBDNBIKFKHG-UHFFFAOYSA-N 0 0 440.952 4.926 50 0 IJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)Nc1ccc2c(c1)OCCCO2 ZINC000013015178 556437344 /nfs/dbraw/zinc/43/73/44/556437344.db2.gz ZBGWBKOENGDWEI-UHFFFAOYSA-N 0 0 435.427 4.541 50 0 IJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nc2c(s1)CN(C)CC2 ZINC000027989201 556439364 /nfs/dbraw/zinc/43/93/64/556439364.db2.gz UDGSRSHVYOWTGM-UHFFFAOYSA-N 0 0 438.500 4.834 50 0 IJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000027990668 556439812 /nfs/dbraw/zinc/43/98/12/556439812.db2.gz VLKDFKDYZQNRED-UHFFFAOYSA-N 0 0 434.926 4.969 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@H]1c1ccccc1F ZINC000027991753 556440095 /nfs/dbraw/zinc/44/00/95/556440095.db2.gz QDBAOYDKHNJIEY-JOCHJYFZSA-N 0 0 443.906 4.935 50 0 IJAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027993655 556440635 /nfs/dbraw/zinc/44/06/35/556440635.db2.gz VROSULAGXUFSIO-OAHLLOKOSA-N 0 0 430.957 4.907 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 ZINC000027995440 556441085 /nfs/dbraw/zinc/44/10/85/556441085.db2.gz XEWOBYHTHXNXEZ-AWEZNQCLSA-N 0 0 442.512 4.592 50 0 IJAARN CCOc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1OC ZINC000027994157 556441089 /nfs/dbraw/zinc/44/10/89/556441089.db2.gz TYSIQFDLQUVFCG-UHFFFAOYSA-N 0 0 427.526 4.753 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccnc3)o2)cc1 ZINC000013029069 556441823 /nfs/dbraw/zinc/44/18/23/556441823.db2.gz KYQIWUAHBHBXTF-UHFFFAOYSA-N 0 0 438.534 4.527 50 0 IJAARN COc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)cc1OC ZINC000028048099 556442914 /nfs/dbraw/zinc/44/29/14/556442914.db2.gz IITZEVIUGKPVCH-HSZRJFAPSA-N 0 0 436.895 4.541 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000011028397 556445621 /nfs/dbraw/zinc/44/56/21/556445621.db2.gz AJVZYQDQWHUZAW-KRWDZBQOSA-N 0 0 446.887 4.597 50 0 IJAARN O=C(NCCc1ccc(F)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000072272636 556445625 /nfs/dbraw/zinc/44/56/25/556445625.db2.gz PHDKLXGWICJSIX-AZGAKELHSA-N 0 0 430.523 4.665 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 ZINC000028286781 556447646 /nfs/dbraw/zinc/44/76/46/556447646.db2.gz VWKSPAXVLADUNC-LBPRGKRZSA-N 0 0 449.488 4.704 50 0 IJAARN O=C(CSc1nc(-c2ccco2)nc2ccccc21)Nc1ccccc1N1CCCC1=O ZINC000032868695 556449209 /nfs/dbraw/zinc/44/92/09/556449209.db2.gz NOKBDGRCPKBTNR-UHFFFAOYSA-N 0 0 444.516 4.747 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1Cl)CC2 ZINC000013058266 556449734 /nfs/dbraw/zinc/44/97/34/556449734.db2.gz MMKUJTLBRBQKJR-RUZDIDTESA-N 0 0 436.939 4.943 50 0 IJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014849605 556450124 /nfs/dbraw/zinc/45/01/24/556450124.db2.gz ZXOPMUSOPAJJGE-HNNXBMFYSA-N 0 0 443.334 4.768 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000013062760 556451030 /nfs/dbraw/zinc/45/10/30/556451030.db2.gz WIHLASJBSWMHOO-QFIPXVFZSA-N 0 0 425.504 4.859 50 0 IJAARN Cc1nn(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)c(C)c1Br ZINC000028297132 556451739 /nfs/dbraw/zinc/45/17/39/556451739.db2.gz XSVGBNKTQDJJKU-AWEZNQCLSA-N 0 0 436.781 4.810 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(F)cc3F)n(-c3ccccc3)n2)cc1 ZINC000013063081 556451736 /nfs/dbraw/zinc/45/17/36/556451736.db2.gz ZXKDJUGYYRSUKA-UHFFFAOYSA-N 0 0 447.441 4.921 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@H]2Sc3ccccc3NC2=O)c2ccccc2)cc1 ZINC000013063627 556452299 /nfs/dbraw/zinc/45/22/99/556452299.db2.gz UBIJZMSEFXUDRX-GGAORHGYSA-N 0 0 446.528 4.721 50 0 IJAARN CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000072275059 556455054 /nfs/dbraw/zinc/45/50/54/556455054.db2.gz ZGYRJZIIWSKXIU-QGZVFWFLSA-N 0 0 444.329 4.762 50 0 IJAARN CC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275180 556455441 /nfs/dbraw/zinc/45/54/41/556455441.db2.gz UZPSMOKDNMEYRH-MRXNPFEDSA-N 0 0 431.290 4.781 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)ccc21 ZINC000014896654 556456672 /nfs/dbraw/zinc/45/66/72/556456672.db2.gz KIPJKFSENFETFW-UHFFFAOYSA-N 0 0 428.517 4.762 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1C[C@H]1CCCO1 ZINC000014902732 556457255 /nfs/dbraw/zinc/45/72/55/556457255.db2.gz ZGTWOAMEZWGGOO-CQSZACIVSA-N 0 0 442.491 4.613 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 ZINC000014912224 556458413 /nfs/dbraw/zinc/45/84/13/556458413.db2.gz LWJKLQKBXKSSSS-UHFFFAOYSA-N 0 0 427.353 4.640 50 0 IJAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000072277340 556458447 /nfs/dbraw/zinc/45/84/47/556458447.db2.gz IPVXWHFADAEAOL-UHFFFAOYSA-N 0 0 437.521 4.978 50 0 IJAARN C[C@H]1c2cccn2CCN1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000072277419 556458715 /nfs/dbraw/zinc/45/87/15/556458715.db2.gz XHSWIKUZRUXHGA-KRWDZBQOSA-N 0 0 434.927 4.674 50 0 IJAARN CC(C)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN3C(=O)c3cccs3)s2)cc1 ZINC000013101999 556460730 /nfs/dbraw/zinc/46/07/30/556460730.db2.gz BXXUFCJGOQBCNT-MRXNPFEDSA-N 0 0 426.567 4.633 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1nc(-c2cccs2)oc1=O ZINC000028785103 556461021 /nfs/dbraw/zinc/46/10/21/556461021.db2.gz KBSPGDNDGAZVSI-UHFFFAOYSA-N 0 0 443.532 4.507 50 0 IJAARN Nc1n[nH]c(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 ZINC000013108075 556461681 /nfs/dbraw/zinc/46/16/81/556461681.db2.gz RNKKPDBJAUVRFD-CYBMUJFWSA-N 0 0 427.839 4.531 50 0 IJAARN O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000013108695 556462287 /nfs/dbraw/zinc/46/22/87/556462287.db2.gz COZTWNBZNQDQDG-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN CC(=O)N(c1nc([C@H]2Nc3c(sc4nc(C)cc(C)c43)C(=O)N2)cs1)c1ccccc1 ZINC000028923139 556464078 /nfs/dbraw/zinc/46/40/78/556464078.db2.gz KNHYYNWEFVSLBP-IBGZPJMESA-N 0 0 449.561 4.908 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1)NCCCc1ccccc1 ZINC000032959141 556464123 /nfs/dbraw/zinc/46/41/23/556464123.db2.gz HBSZTKKSHKGKCF-UHFFFAOYSA-N 0 0 431.923 4.670 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ncc(-c4ccccc4)o3)n2N)c1 ZINC000013112186 556464520 /nfs/dbraw/zinc/46/45/20/556464520.db2.gz USHJDKUJNLQXQM-UHFFFAOYSA-N 0 0 435.553 4.950 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000014979555 556470148 /nfs/dbraw/zinc/47/01/48/556470148.db2.gz NTWLUTFIWWDIBS-GOSISDBHSA-N 0 0 428.960 4.939 50 0 IJAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000014980900 556470503 /nfs/dbraw/zinc/47/05/03/556470503.db2.gz GLAPRSNXGLWSDU-OAQYLSRUSA-N 0 0 427.504 4.522 50 0 IJAARN O=c1nc(SCc2noc(-c3ccc(Cl)cc3)n2)[nH]c2sc3c(c21)CCCC3 ZINC000029257178 556470874 /nfs/dbraw/zinc/47/08/74/556470874.db2.gz GNXWQBCAIQOJIK-UHFFFAOYSA-N 0 0 430.942 4.859 50 0 IJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000029287725 556471570 /nfs/dbraw/zinc/47/15/70/556471570.db2.gz APLBYLAPHRZIFQ-XMMPIXPASA-N 0 0 440.499 4.516 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(OCc2ccccc2)cc1 ZINC000013119749 556471799 /nfs/dbraw/zinc/47/17/99/556471799.db2.gz FPNUQSJGFKQALZ-UHFFFAOYSA-N 0 0 427.504 4.621 50 0 IJAARN CCCCCCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O ZINC000013121124 556473893 /nfs/dbraw/zinc/47/38/93/556473893.db2.gz PDFKGMBRQGBXKI-UHFFFAOYSA-N 0 0 430.961 4.756 50 0 IJAARN COc1ccc(C[C@@]2(CCC(=O)NC(c3ccccc3)c3ccccc3)CCC(=O)N2)cc1 ZINC000014989309 556473919 /nfs/dbraw/zinc/47/39/19/556473919.db2.gz VCWIFCKTEAUDPQ-MUUNZHRXSA-N 0 0 442.559 4.573 50 0 IJAARN C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N1CCc2ccccc21 ZINC000013121379 556474159 /nfs/dbraw/zinc/47/41/59/556474159.db2.gz SPYHPYQMZABWBD-LBPRGKRZSA-N 0 0 430.327 4.569 50 0 IJAARN O=C(CSc1nnc(NC2CC2)s1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029450250 556475749 /nfs/dbraw/zinc/47/57/49/556475749.db2.gz QVEBYKSTCFRXFM-INIZCTEOSA-N 0 0 434.637 4.502 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000013127245 556476025 /nfs/dbraw/zinc/47/60/25/556476025.db2.gz UVGUNJQACHZFRX-UHFFFAOYSA-N 0 0 447.495 4.594 50 0 IJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000013128579 556477769 /nfs/dbraw/zinc/47/77/69/556477769.db2.gz ABCDXVTTZQZRDQ-UHFFFAOYSA-N 0 0 442.928 4.817 50 0 IJAARN CCCCN(C)C(=O)c1sc2ncnc(NCCc3ccc(OC)c(OC)c3)c2c1C ZINC000014997156 556478233 /nfs/dbraw/zinc/47/82/33/556478233.db2.gz QPTOBGPTEDJYJZ-UHFFFAOYSA-N 0 0 442.585 4.544 50 0 IJAARN COCCn1ccc2c1cccc2NC(=O)Cn1ccc2ccc(Br)cc21 ZINC000070666528 556478316 /nfs/dbraw/zinc/47/83/16/556478316.db2.gz IRUFVEFCNDHSJR-UHFFFAOYSA-N 0 0 426.314 4.644 50 0 biogenic IJAARN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000072288208 556480562 /nfs/dbraw/zinc/48/05/62/556480562.db2.gz UXMZFTSCMDTVBI-LJQANCHMSA-N 0 0 431.435 4.631 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 ZINC000013134083 556481976 /nfs/dbraw/zinc/48/19/76/556481976.db2.gz GNRAIYVRPVZZKX-LLVKDONJSA-N 0 0 436.306 4.608 50 0 IJAARN CN(C/C(Cl)=C/c1ccccc1)Cc1nnc(SCCOc2ccccc2)n1C ZINC000015007524 556482315 /nfs/dbraw/zinc/48/23/15/556482315.db2.gz LQELOWRWHBRHQP-CYVLTUHYSA-N 0 0 428.989 4.698 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029796729 556482886 /nfs/dbraw/zinc/48/28/86/556482886.db2.gz ORGQHCUAMCSGBS-QFIPXVFZSA-N 0 0 434.492 4.619 50 0 IJAARN O=C(Nc1cccc(N2CCOC2=O)c1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000072289152 556483495 /nfs/dbraw/zinc/48/34/95/556483495.db2.gz TVAXQGPSPUKWOJ-UHFFFAOYSA-N 0 0 449.536 4.573 50 0 IJAARN CCc1nnc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2C)o1 ZINC000029876555 556485146 /nfs/dbraw/zinc/48/51/46/556485146.db2.gz GNMXHPJYUYMFOB-UHFFFAOYSA-N 0 0 426.929 4.894 50 0 IJAARN CC(=O)N(c1nc(CSc2nnc(Cc3cccs3)n2C)cs1)c1ccccc1 ZINC000013138287 556485339 /nfs/dbraw/zinc/48/53/39/556485339.db2.gz STPVFXNWNDQRKY-UHFFFAOYSA-N 0 0 441.607 4.901 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013138355 556485344 /nfs/dbraw/zinc/48/53/44/556485344.db2.gz ANLHXYQPXAETME-OAHLLOKOSA-N 0 0 431.414 4.692 50 0 IJAARN O=S(=O)(CCSc1nnc(-c2cccs2)n1C1CC1)c1ccc(Cl)cc1 ZINC000029888394 556485623 /nfs/dbraw/zinc/48/56/23/556485623.db2.gz MWVMPCNIXPOWGF-UHFFFAOYSA-N 0 0 425.988 4.561 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)cc12 ZINC000013145483 556487552 /nfs/dbraw/zinc/48/75/52/556487552.db2.gz XEVBYFVBXJCSEU-UHFFFAOYSA-N 0 0 443.887 4.983 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccccc2)c1 ZINC000013146472 556488331 /nfs/dbraw/zinc/48/83/31/556488331.db2.gz BAYAHNUOHVCUDI-XMMPIXPASA-N 0 0 427.456 4.947 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000032876529 556489056 /nfs/dbraw/zinc/48/90/56/556489056.db2.gz WEIDGEHLEOKXJI-UHFFFAOYSA-N 0 0 444.560 4.636 50 0 IJAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000030228583 556492128 /nfs/dbraw/zinc/49/21/28/556492128.db2.gz SBUWWPSRQBAFJU-UHFFFAOYSA-N 0 0 431.319 4.718 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CSc2ccccc2)CC3)cc1Cl ZINC000015066895 556493037 /nfs/dbraw/zinc/49/30/37/556493037.db2.gz QVALSCFPCHBQPF-GOSISDBHSA-N 0 0 444.984 4.708 50 0 IJAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000013163364 556493699 /nfs/dbraw/zinc/49/36/99/556493699.db2.gz DRTGZXJIFZNJQP-UHFFFAOYSA-N 0 0 425.868 4.606 50 0 IJAARN Cc1occc1-c1nnc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)o1 ZINC000013163902 556495037 /nfs/dbraw/zinc/49/50/37/556495037.db2.gz SHBMTOJLPJKYQA-UHFFFAOYSA-N 0 0 426.523 4.876 50 0 IJAARN O=C1c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C(=O)N1c1cccc(Cl)c1 ZINC000015070020 556495092 /nfs/dbraw/zinc/49/50/92/556495092.db2.gz KSZUJGMTPXBGQB-XVNBXDOJSA-N 0 0 447.922 4.569 50 0 IJAARN Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)Nc4ccc(C(N)=O)cc4)c23)cc1 ZINC000013164812 556497311 /nfs/dbraw/zinc/49/73/11/556497311.db2.gz POMZNJWONBSZHL-CQSZACIVSA-N 0 0 448.573 4.885 50 0 IJAARN Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)Nc4ccc(C(N)=O)cc4)c23)cc1 ZINC000013164813 556497380 /nfs/dbraw/zinc/49/73/80/556497380.db2.gz POMZNJWONBSZHL-AWEZNQCLSA-N 0 0 448.573 4.885 50 0 IJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321893 556502424 /nfs/dbraw/zinc/50/24/24/556502424.db2.gz GQDMGQXULCBDOE-CQSZACIVSA-N 0 0 442.544 4.834 50 0 IJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCCC1 ZINC000015109317 556504622 /nfs/dbraw/zinc/50/46/22/556504622.db2.gz HFVNKSYZVZGPKX-UHFFFAOYSA-N 0 0 443.385 4.732 50 0 IJAARN COCCn1c(SCc2cc(C)ccc2C)nnc1-c1sc2ncccc2c1N ZINC000030822974 556506905 /nfs/dbraw/zinc/50/69/05/556506905.db2.gz XGGSODLUYGUSQG-UHFFFAOYSA-N 0 0 425.583 4.693 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000015183328 556508767 /nfs/dbraw/zinc/50/87/67/556508767.db2.gz UHHMUYYTRUZZJH-UHFFFAOYSA-N 0 0 435.499 4.622 50 0 IJAARN CC(=O)c1ccc(NC(=S)Nc2ccn(Cc3ccc(Br)cc3)n2)cc1 ZINC000013519490 556512059 /nfs/dbraw/zinc/51/20/59/556512059.db2.gz SJVFEGYXJDORDI-UHFFFAOYSA-N 0 0 429.343 4.705 50 0 IJAARN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000015229010 556512687 /nfs/dbraw/zinc/51/26/87/556512687.db2.gz DPZPKXRGESRIMF-UHFFFAOYSA-N 0 0 428.532 4.685 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000011072123 556514616 /nfs/dbraw/zinc/51/46/16/556514616.db2.gz HNPSVZDZSUANJI-HHHXNRCGSA-N 0 0 449.554 4.825 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000032896857 556515830 /nfs/dbraw/zinc/51/58/30/556515830.db2.gz XRPMILDCNCXANF-UHFFFAOYSA-N 0 0 430.548 4.540 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013557622 556517544 /nfs/dbraw/zinc/51/75/44/556517544.db2.gz ZUQZCZCEJVBRKY-HXUWFJFHSA-N 0 0 447.458 4.559 50 0 IJAARN CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1ccc(Cl)s1 ZINC000032718912 556517805 /nfs/dbraw/zinc/51/78/05/556517805.db2.gz KNMIDRFRXSSBLO-SFHVURJKSA-N 0 0 434.989 4.748 50 0 IJAARN O=c1nc(CN(CCc2cccs2)Cc2cccs2)[nH]c2sc3c(c21)CCC3 ZINC000015550322 556534452 /nfs/dbraw/zinc/53/44/52/556534452.db2.gz MHDVOKAAPXWZQD-UHFFFAOYSA-N 0 0 427.620 4.841 50 0 IJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000013618786 556536146 /nfs/dbraw/zinc/53/61/46/556536146.db2.gz ZXFBTPLNHCOFEY-HXUWFJFHSA-N 0 0 430.335 4.876 50 0 IJAARN O=C1OC(c2cccs2)=N/C1=C1/C=C(c2ccc3c(c2)OCCO3)Oc2ccccc21 ZINC000013629675 556538832 /nfs/dbraw/zinc/53/88/32/556538832.db2.gz LDDLOIKXVCUCML-JWGURIENSA-N 0 0 429.453 4.668 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(CCCn1ccnc1)C3=O ZINC000015671138 556542300 /nfs/dbraw/zinc/54/23/00/556542300.db2.gz MYKBFNPYSCKSCN-JOCHJYFZSA-N 0 0 447.922 4.895 50 0 IJAARN CC[C@@H](C)OC(=O)c1c2c(sc1NC(=O)c1cc(-c3cnn(C)c3C)no1)CCCC2 ZINC000013641872 556542562 /nfs/dbraw/zinc/54/25/62/556542562.db2.gz MSTRBIKSJCIRIV-GFCCVEGCSA-N 0 0 442.541 4.531 50 0 IJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645191 556543642 /nfs/dbraw/zinc/54/36/42/556543642.db2.gz YGLCBCJWUMCCEL-UHFFFAOYSA-N 0 0 426.398 4.936 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1 ZINC000032905096 556550192 /nfs/dbraw/zinc/55/01/92/556550192.db2.gz PYHBSJLDCFKPGP-XMMPIXPASA-N 0 0 445.563 4.830 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)cc1 ZINC000015777199 556550639 /nfs/dbraw/zinc/55/06/39/556550639.db2.gz LCFONHYYWNBYLA-OAHLLOKOSA-N 0 0 434.751 4.547 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(F)ccc1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997221 556551101 /nfs/dbraw/zinc/55/11/01/556551101.db2.gz IKFPXNLZAXSIBD-FQEVSTJZSA-N 0 0 428.464 4.763 50 0 IJAARN CCCOc1ccc([C@@H]2Oc3nc(SCC)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000032997287 556551142 /nfs/dbraw/zinc/55/11/42/556551142.db2.gz HXGWQIDVTXWWLS-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997858 556551943 /nfs/dbraw/zinc/55/19/43/556551943.db2.gz NUVAKKGLHXKUGM-HXUWFJFHSA-N 0 0 442.541 4.956 50 0 IJAARN Cc1cccc(C)c1OCCOc1ccc(Br)cc1C=C1SC(=O)NC1=O ZINC000015800278 556552733 /nfs/dbraw/zinc/55/27/33/556552733.db2.gz ZHWUTXUPHMHMNV-BOPFTXTBSA-N 0 0 448.338 4.848 50 0 IJAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015815943 556553588 /nfs/dbraw/zinc/55/35/88/556553588.db2.gz YHSVBFVZUFIENI-UHFFFAOYSA-N 0 0 425.350 4.688 50 0 IJAARN CCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(F)cc1 ZINC000033114865 556554241 /nfs/dbraw/zinc/55/42/41/556554241.db2.gz GCLOYIWWHNMUFG-UHFFFAOYSA-N 0 0 435.322 4.728 50 0 IJAARN Cn1nc(SCc2ccc(Cl)cc2)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839286 556556316 /nfs/dbraw/zinc/55/63/16/556556316.db2.gz PAIRTGWNAVJAPC-UHFFFAOYSA-N 0 0 436.968 4.874 50 0 IJAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NC[C@H]4CCCO4)c4ccccc4n3)c2C)cc1 ZINC000033258089 556557420 /nfs/dbraw/zinc/55/74/20/556557420.db2.gz AOBRKKVJFYWLPB-OAQYLSRUSA-N 0 0 440.547 4.867 50 0 IJAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCCCOc1ccc(Cl)c(C)c1 ZINC000015857151 556557925 /nfs/dbraw/zinc/55/79/25/556557925.db2.gz PTSBRYNQFVUDOB-UNOMPAQXSA-N 0 0 433.913 4.829 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c(C)c1 ZINC000033274505 556558553 /nfs/dbraw/zinc/55/85/53/556558553.db2.gz PELLQJYFXRGVCF-UHFFFAOYSA-N 0 0 428.598 4.607 50 0 IJAARN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274560 556558630 /nfs/dbraw/zinc/55/86/30/556558630.db2.gz QYIJKIBETFJHAJ-KRWDZBQOSA-N 0 0 428.598 4.731 50 0 IJAARN O=C(CCCc1nnc(-c2ccccc2)o1)N1CC(OCc2cccc3ccccc32)C1 ZINC000072306731 556560056 /nfs/dbraw/zinc/56/00/56/556560056.db2.gz CBVKETIWOHULOM-UHFFFAOYSA-N 0 0 427.504 4.640 50 0 IJAARN CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 ZINC000032907010 556560619 /nfs/dbraw/zinc/56/06/19/556560619.db2.gz MTGPEUGYRSPAIB-UHFFFAOYSA-N 0 0 445.544 4.752 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-n1cccc1 ZINC000015881912 556560648 /nfs/dbraw/zinc/56/06/48/556560648.db2.gz RAMZPKBVXDHNPJ-UHFFFAOYSA-N 0 0 437.956 4.674 50 0 IJAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2F)CC[C@@H](C)C3)CC1 ZINC000015946885 556567719 /nfs/dbraw/zinc/56/77/19/556567719.db2.gz RSBKISSDZLIRFG-MRXNPFEDSA-N 0 0 443.588 4.935 50 0 IJAARN CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CC[C@@H](C)C3)cc1 ZINC000015946840 556567746 /nfs/dbraw/zinc/56/77/46/556567746.db2.gz XSLGFMQMIQWGTP-MRXNPFEDSA-N 0 0 441.597 4.558 50 0 IJAARN COc1cc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000032960648 556570823 /nfs/dbraw/zinc/57/08/23/556570823.db2.gz PYXATGKLRQHHJF-UHFFFAOYSA-N 0 0 431.492 4.626 50 0 IJAARN CN(CCc1noc(COc2cccc(C(F)(F)F)c2)n1)C(=O)c1cccc(Cl)c1 ZINC000032961043 556571889 /nfs/dbraw/zinc/57/18/89/556571889.db2.gz DVGNTYBDFBTKFV-UHFFFAOYSA-N 0 0 439.821 4.636 50 0 IJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3n2)c1 ZINC000001026473 556573839 /nfs/dbraw/zinc/57/38/39/556573839.db2.gz UZTRWXYRHMHFGZ-UHFFFAOYSA-N 0 0 435.505 4.824 50 0 IJAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000016014113 556574442 /nfs/dbraw/zinc/57/44/42/556574442.db2.gz ZTQAJCLZTLROPZ-UHFFFAOYSA-N 0 0 440.528 4.695 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000016044121 556578643 /nfs/dbraw/zinc/57/86/43/556578643.db2.gz HNUYMRHVXZBNGA-QKLQHJQFSA-N 0 0 430.618 4.958 50 0 IJAARN O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 ZINC000004006230 556578908 /nfs/dbraw/zinc/57/89/08/556578908.db2.gz FBTXKABBDISDJY-HXUWFJFHSA-N 0 0 446.308 4.712 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1 ZINC000034713100 556581224 /nfs/dbraw/zinc/58/12/24/556581224.db2.gz WECLCQVLJLXCDJ-KRWDZBQOSA-N 0 0 428.941 4.951 50 0 IJAARN CCO[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)C12CCCCC2 ZINC000072311488 556585075 /nfs/dbraw/zinc/58/50/75/556585075.db2.gz KBVFPSVMNKQEIV-JWQCQUIFSA-N 0 0 448.607 4.936 50 0 IJAARN COc1cc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc(OC)c1OC ZINC000016195274 556589803 /nfs/dbraw/zinc/58/98/03/556589803.db2.gz BCASJWBUDOAGFE-UHFFFAOYSA-N 0 0 445.947 4.591 50 0 IJAARN Cc1ccc(OCCCOc2ccccc2)c(/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000016225565 556592389 /nfs/dbraw/zinc/59/23/89/556592389.db2.gz CSSOIGGVBAZDCB-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083757 556592860 /nfs/dbraw/zinc/59/28/60/556592860.db2.gz RVOBVZFITYIPHX-HSZRJFAPSA-N 0 0 436.552 4.885 50 0 IJAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115332 556593327 /nfs/dbraw/zinc/59/33/27/556593327.db2.gz LZXAXFILPMFJGI-UHFFFAOYSA-N 0 0 446.594 4.640 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036164378 556594305 /nfs/dbraw/zinc/59/43/05/556594305.db2.gz SPRHBVUMBKVWKO-AREMUKBSSA-N 0 0 428.557 4.892 50 0 IJAARN NC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Br)c1 ZINC000032973835 556595049 /nfs/dbraw/zinc/59/50/49/556595049.db2.gz JDAYQQPPXBPWIC-CQSZACIVSA-N 0 0 444.301 4.502 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000016262239 556595205 /nfs/dbraw/zinc/59/52/05/556595205.db2.gz LWCUIVYQRREXMF-GOSISDBHSA-N 0 0 428.970 4.681 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344211 556597072 /nfs/dbraw/zinc/59/70/72/556597072.db2.gz WESZQCOVYXAMTJ-RUZDIDTESA-N 0 0 449.595 4.730 50 0 IJAARN CCOc1cccc([C@@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NC)c1 ZINC000032977678 556600616 /nfs/dbraw/zinc/60/06/16/556600616.db2.gz DUUWKZFKCIIUNU-XMMPIXPASA-N 0 0 441.535 4.615 50 0 IJAARN COc1cccc(-c2cc(C(=O)NCc3cccnc3)c3cc(Br)ccc3n2)c1 ZINC000016392354 556604790 /nfs/dbraw/zinc/60/47/90/556604790.db2.gz RVROQEXQCJNXLL-UHFFFAOYSA-N 0 0 448.320 4.998 50 0 IJAARN CCOc1ccc(CC(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1OCC ZINC000016400292 556605259 /nfs/dbraw/zinc/60/52/59/556605259.db2.gz YFZXLXUZIPFLMV-UHFFFAOYSA-N 0 0 438.549 4.801 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccc(OC)cc3)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623879 556605275 /nfs/dbraw/zinc/60/52/75/556605275.db2.gz JLHAXLRLCXQUSO-WMZHIEFXSA-N 0 0 446.551 4.508 50 0 IJAARN C[C@@H](CNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032995210 556610418 /nfs/dbraw/zinc/61/04/18/556610418.db2.gz QIYZUVHDNSXFMV-HNNXBMFYSA-N 0 0 442.972 4.686 50 0 IJAARN CC(C)C(NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)C(C)C ZINC000016575007 556615670 /nfs/dbraw/zinc/61/56/70/556615670.db2.gz IJUDFIWVGAJOQT-UHFFFAOYSA-N 0 0 437.005 4.717 50 0 IJAARN Cc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000016645198 556619761 /nfs/dbraw/zinc/61/97/61/556619761.db2.gz 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Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCc3cccc(C)c3)c(C)c12 ZINC000005150809 556642812 /nfs/dbraw/zinc/64/28/12/556642812.db2.gz UQNUZSHHKGBBJE-UHFFFAOYSA-N 0 0 426.564 4.946 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCCc3ccccc3)c(C)c12 ZINC000005151985 556642865 /nfs/dbraw/zinc/64/28/65/556642865.db2.gz VFPPRICUGIWUQG-UHFFFAOYSA-N 0 0 426.564 4.946 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCCO)C3=O ZINC000016806462 556644132 /nfs/dbraw/zinc/64/41/32/556644132.db2.gz PTIUKBIHHADMRC-SFHVURJKSA-N 0 0 432.303 4.644 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(CCCO)C3=O ZINC000016806464 556644165 /nfs/dbraw/zinc/64/41/65/556644165.db2.gz PTIUKBIHHADMRC-GOSISDBHSA-N 0 0 432.303 4.644 50 0 IJAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000037557227 556645228 /nfs/dbraw/zinc/64/52/28/556645228.db2.gz NNXZTKJWIYBFRP-AREMUKBSSA-N 0 0 442.559 4.680 50 0 IJAARN COc1cccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000037587439 556645806 /nfs/dbraw/zinc/64/58/06/556645806.db2.gz AAUFCMQYMCQTIE-UHFFFAOYSA-N 0 0 426.463 4.878 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NCC1CC1 ZINC000037601313 556646267 /nfs/dbraw/zinc/64/62/67/556646267.db2.gz GKHSWDQPZVUNBS-AHKZPQOWSA-N 0 0 448.607 4.890 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000016845039 556646639 /nfs/dbraw/zinc/64/66/39/556646639.db2.gz ZEXPWTQAPSWRHO-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN CCn1c(SCC(=O)NCCc2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845090 556646805 /nfs/dbraw/zinc/64/68/05/556646805.db2.gz QVHVRSHAHCHOKC-UHFFFAOYSA-N 0 0 449.601 4.596 50 0 IJAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)cc3)n2)cc1 ZINC000016846425 556647065 /nfs/dbraw/zinc/64/70/65/556647065.db2.gz LKVWKEKGJAYQAI-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c(C)c1 ZINC000038486976 556647667 /nfs/dbraw/zinc/64/76/67/556647667.db2.gz MMQPJKPCIBDZGS-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccccc3C)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623561 556648266 /nfs/dbraw/zinc/64/82/66/556648266.db2.gz LAVLKUZJVZNZGJ-RBBKRZOGSA-N 0 0 430.552 4.808 50 0 IJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccccc1COCc1ccccc1 ZINC000032925120 556649901 /nfs/dbraw/zinc/64/99/01/556649901.db2.gz KFMFUJOLOJFIBI-JOCHJYFZSA-N 0 0 428.532 4.611 50 0 IJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc1OC ZINC000011758385 556652750 /nfs/dbraw/zinc/65/27/50/556652750.db2.gz WGDDERKROFNPRX-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 ZINC000011779826 556655039 /nfs/dbraw/zinc/65/50/39/556655039.db2.gz NDOGHJRDFAYNGU-UHFFFAOYSA-N 0 0 440.569 4.659 50 0 IJAARN O=C(CCc1ccccc1O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132499 556657883 /nfs/dbraw/zinc/65/78/83/556657883.db2.gz LEOOEWGJDGYXBB-UHFFFAOYSA-N 0 0 436.502 4.537 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CCCC2)C2CC2)s1 ZINC000004591685 556657931 /nfs/dbraw/zinc/65/79/31/556657931.db2.gz FJKBSWWGNVTNOK-UHFFFAOYSA-N 0 0 428.573 4.906 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)s1 ZINC000033011234 556659769 /nfs/dbraw/zinc/65/97/69/556659769.db2.gz QERCRINGGXETEO-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)c2ccc(C)cc2)c1=O ZINC000033012230 556660745 /nfs/dbraw/zinc/66/07/45/556660745.db2.gz AQMHNEWLBAELMC-UHFFFAOYSA-N 0 0 425.488 4.522 50 0 IJAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccccc1F ZINC000033013137 556662417 /nfs/dbraw/zinc/66/24/17/556662417.db2.gz IBEYJHZWMXSCQT-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000033013199 556662561 /nfs/dbraw/zinc/66/25/61/556662561.db2.gz JGKSRJLKEFUKMK-UHFFFAOYSA-N 0 0 429.476 4.762 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1F ZINC000033013211 556662611 /nfs/dbraw/zinc/66/26/11/556662611.db2.gz LHJOFYJFOAMWJB-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCc1c(C)sc(NC(=O)c2cnccn2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017098785 556663741 /nfs/dbraw/zinc/66/37/41/556663741.db2.gz WTXSNSWJAQTRIT-UHFFFAOYSA-N 0 0 434.443 4.932 50 0 IJAARN CCn1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)NCc2ccco2)n1 ZINC000017098955 556663754 /nfs/dbraw/zinc/66/37/54/556663754.db2.gz OHDDFWAAFWKYGN-UHFFFAOYSA-N 0 0 434.521 4.715 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000011865777 556665748 /nfs/dbraw/zinc/66/57/48/556665748.db2.gz BXYUWBBTGWLUGD-UHFFFAOYSA-N 0 0 435.427 4.848 50 0 IJAARN Cc1oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000011866723 556666916 /nfs/dbraw/zinc/66/69/16/556666916.db2.gz MTVNTSOBLYVEIK-ZDUSSCGKSA-N 0 0 441.455 4.726 50 0 IJAARN Cc1ccccc1CN(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)[C@H](C)c1ccccc1 ZINC000248169731 556672182 /nfs/dbraw/zinc/67/21/82/556672182.db2.gz VEINXIKAUHASHX-NFBKMPQASA-N 0 0 433.552 4.655 50 0 IJAARN O=C(Nc1ccc(OC(F)F)cc1)c1nn(-c2ccccc2F)cc1Br ZINC000032932069 556676860 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4.955 50 0 IJAARN CCCCOC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018246894 556688181 /nfs/dbraw/zinc/68/81/81/556688181.db2.gz JHEQNBXYJAKOBB-TXFWVUOCSA-N 0 0 445.559 4.782 50 0 IJAARN COc1ccc(C)cc1NC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2nc1OC ZINC000046006649 556690599 /nfs/dbraw/zinc/69/05/99/556690599.db2.gz PXVCCNHQBABYTC-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000046006667 556690642 /nfs/dbraw/zinc/69/06/42/556690642.db2.gz IMJPIQCFRXGKCQ-UHFFFAOYSA-N 0 0 442.519 4.820 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000046141365 556692765 /nfs/dbraw/zinc/69/27/65/556692765.db2.gz ZYBXYGRNGAYPIY-UHFFFAOYSA-N 0 0 443.525 4.733 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137954381 556699345 /nfs/dbraw/zinc/69/93/45/556699345.db2.gz XQPYJQKPUOHFLY-PCCBWWKXSA-N 0 0 438.405 4.757 50 0 IJAARN Cc1cccc(-c2csc3c2[nH]c(N2CCN(c4cccc(Cl)c4)CC2)nc3=O)c1 ZINC000048989991 556703242 /nfs/dbraw/zinc/70/32/42/556703242.db2.gz XZLDSPOKFQUIPC-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN Cc1cccc(-c2csc3c2[nH]c(N2CCN(c4ccccc4Cl)CC2)nc3=O)c1 ZINC000048989985 556703261 /nfs/dbraw/zinc/70/32/61/556703261.db2.gz BXRNIUQKPPIAPK-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN COc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000033026539 556703486 /nfs/dbraw/zinc/70/34/86/556703486.db2.gz HTMCUMYUUAKLPB-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN O=c1c2c(nc(NCCCO)n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000004610439 556704737 /nfs/dbraw/zinc/70/47/37/556704737.db2.gz KYPYYYAZCFUIBG-UHFFFAOYSA-N 0 0 429.564 4.511 50 0 IJAARN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2cc(F)ccc2F)c1 ZINC000060338320 556708537 /nfs/dbraw/zinc/70/85/37/556708537.db2.gz JBSURIAKWUGQKL-UHFFFAOYSA-N 0 0 432.224 4.627 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4cccc(Cl)c4)ccc3[nH]2)cc1 ZINC000033037440 556722975 /nfs/dbraw/zinc/72/29/75/556722975.db2.gz AFBHOYDVOUFOHP-UHFFFAOYSA-N 0 0 446.938 4.890 50 0 IJAARN COc1ccccc1NC(=O)c1ccc2[nH]c(CCc3ccc(NC(C)=O)cc3)nc2c1 ZINC000033037480 556723004 /nfs/dbraw/zinc/72/30/04/556723004.db2.gz KNLKCCOQERCSSC-UHFFFAOYSA-N 0 0 428.492 4.567 50 0 IJAARN N#CC(C#N)=C1c2cc(Br)ccc2N(Cc2ccccc2Br)C1=O ZINC000001320729 556726802 /nfs/dbraw/zinc/72/68/02/556726802.db2.gz ZUDQUWNPQIMGOF-UHFFFAOYSA-N 0 0 443.098 4.559 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)[nH]n1 ZINC000072331266 556730212 /nfs/dbraw/zinc/73/02/12/556730212.db2.gz FQSYNJJVVCNKKM-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc4c3CCCC4)ccc2=O)cc1C ZINC000033039770 556731453 /nfs/dbraw/zinc/73/14/53/556731453.db2.gz VCSUYJVPRAWVDV-GOSISDBHSA-N 0 0 433.577 4.847 50 0 IJAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4cc(C)ccc4C)cc3c2=O)cc1 ZINC000033040464 556731892 /nfs/dbraw/zinc/73/18/92/556731892.db2.gz KNPUAKQLOKMVTH-UHFFFAOYSA-N 0 0 427.504 4.631 50 0 IJAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccn(CCc2ccccn2)n1 ZINC000058098296 556757926 /nfs/dbraw/zinc/75/79/26/556757926.db2.gz MEQAZPILDLYXNR-UHFFFAOYSA-N 0 0 428.561 4.982 50 0 IJAARN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000058128792 556759968 /nfs/dbraw/zinc/75/99/68/556759968.db2.gz YDRNMADRCAJAOF-UHFFFAOYSA-N 0 0 448.748 4.706 50 0 IJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1I ZINC000058160718 556764689 /nfs/dbraw/zinc/76/46/89/556764689.db2.gz ZGNXXDXDCCDMCE-UHFFFAOYSA-N 0 0 442.300 4.609 50 0 IJAARN O=c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc3c(cc2o1)CCC3 ZINC000058162295 556765768 /nfs/dbraw/zinc/76/57/68/556765768.db2.gz OSGBAYZPWRQVTQ-UHFFFAOYSA-N 0 0 428.454 4.623 50 0 IJAARN Cc1cc(CN2CCN(c3nc(-c4cccs4)nc4sc(C)c(C)c43)CC2)no1 ZINC000058175536 556769336 /nfs/dbraw/zinc/76/93/36/556769336.db2.gz BBTMCYZLWCXRIP-UHFFFAOYSA-N 0 0 425.583 4.655 50 0 IJAARN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2sc(-c3ccc(C)o3)nc2C)C1 ZINC000058326788 556781039 /nfs/dbraw/zinc/78/10/39/556781039.db2.gz KSVNNUNHINJAFA-OAHLLOKOSA-N 0 0 431.945 4.691 50 0 IJAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000058355102 556782418 /nfs/dbraw/zinc/78/24/18/556782418.db2.gz JPAVIWAPTBRNDY-XMMPIXPASA-N 0 0 436.556 4.652 50 0 IJAARN Cc1cc2nc(C)c(CCC(=O)Nc3nc(-c4c(F)cccc4F)cs3)c(C)n2n1 ZINC000058378185 556784023 /nfs/dbraw/zinc/78/40/23/556784023.db2.gz YVJOFTHILWKZLZ-UHFFFAOYSA-N 0 0 427.480 4.628 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000058414768 556786575 /nfs/dbraw/zinc/78/65/75/556786575.db2.gz PEHIPOONIKJTQB-HNNXBMFYSA-N 0 0 425.326 4.803 50 0 IJAARN O=C(/C=C/c1ccc(Br)o1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000058414901 556786667 /nfs/dbraw/zinc/78/66/67/556786667.db2.gz ZHUXEGXZOCBYET-VQHVLOKHSA-N 0 0 433.689 4.557 50 0 IJAARN FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CSc1ccc2c(c1)OCCCO2 ZINC000058425351 556787753 /nfs/dbraw/zinc/78/77/53/556787753.db2.gz JLJSGRONIVMDFD-UHFFFAOYSA-N 0 0 442.850 4.788 50 0 IJAARN CC(C)[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000058428135 556787935 /nfs/dbraw/zinc/78/79/35/556787935.db2.gz ZFBWLEINVPDKAH-GOSISDBHSA-N 0 0 427.888 4.678 50 0 IJAARN CCCc1noc(CCC(=O)Nc2ncc(Cc3ccc(Br)c(C)c3)s2)n1 ZINC000059284349 556796893 /nfs/dbraw/zinc/79/68/93/556796893.db2.gz VMDQCYCPODIZCD-UHFFFAOYSA-N 0 0 449.374 4.712 50 0 IJAARN Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)s1 ZINC000072400370 556799028 /nfs/dbraw/zinc/79/90/28/556799028.db2.gz XXGYWQMKFZAQFX-FQEVSTJZSA-N 0 0 432.549 4.932 50 0 IJAARN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401224 556800008 /nfs/dbraw/zinc/80/00/08/556800008.db2.gz CKGQXHUMUFHAOR-HYBUGGRVSA-N 0 0 443.547 4.838 50 0 IJAARN COc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl ZINC000002635541 556801209 /nfs/dbraw/zinc/80/12/09/556801209.db2.gz ZHGBNZWLUXQODF-UHFFFAOYSA-N 0 0 446.714 4.996 50 0 IJAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)NC(=S)N1c1ccccc1 ZINC000002860292 556803382 /nfs/dbraw/zinc/80/33/82/556803382.db2.gz DHQSXGRERKFVLC-RGEXLXHISA-N 0 0 428.542 4.863 50 0 IJAARN Cc1cc(I)ccc1NC(=O)COC(=O)c1cccc2ccccc21 ZINC000003276026 556808151 /nfs/dbraw/zinc/80/81/51/556808151.db2.gz ADEUVIWPEUSJCH-UHFFFAOYSA-N 0 0 445.256 4.548 50 0 IJAARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003321676 556810179 /nfs/dbraw/zinc/81/01/79/556810179.db2.gz YHKZTMYXMFNEMM-UHFFFAOYSA-N 0 0 425.823 4.614 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccs3)CC2)c1 ZINC000003353732 556813841 /nfs/dbraw/zinc/81/38/41/556813841.db2.gz GHSYRNSIBWVKEB-UHFFFAOYSA-N 0 0 444.560 4.572 50 0 IJAARN CC(C)OCc1c2ccccc2oc1C(=O)OCCCCN1C(=O)c2ccccc2C1=O ZINC000003420461 556814988 /nfs/dbraw/zinc/81/49/88/556814988.db2.gz WGXSNLWUAXRNHZ-UHFFFAOYSA-N 0 0 435.476 4.591 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000003423569 556815144 /nfs/dbraw/zinc/81/51/44/556815144.db2.gz CEAQPWGKTRROFF-UHFFFAOYSA-N 0 0 446.528 4.926 50 0 IJAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1Cl ZINC000033064125 556818964 /nfs/dbraw/zinc/81/89/64/556818964.db2.gz HRTXHPNNQBNWDM-UHFFFAOYSA-N 0 0 446.956 4.687 50 0 IJAARN CCn1c(COc2cccc(C)c2C)nnc1SCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000033067724 556819560 /nfs/dbraw/zinc/81/95/60/556819560.db2.gz XZOWZVFMXRAENH-UHFFFAOYSA-N 0 0 438.528 4.767 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000033068207 556821589 /nfs/dbraw/zinc/82/15/89/556821589.db2.gz UWLGGMFPAMIHIX-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccc(F)cc1 ZINC000064661998 556825975 /nfs/dbraw/zinc/82/59/75/556825975.db2.gz BPQIRSBVFPXWIJ-VWLOTQADSA-N 0 0 447.535 4.573 50 0 IJAARN COc1ccc2c(c1)NC1(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC1)c1cccn1-2 ZINC000033068647 556828025 /nfs/dbraw/zinc/82/80/25/556828025.db2.gz DWHVJWQNZPPQIL-UHFFFAOYSA-N 0 0 446.595 4.881 50 0 biogenic IJAARN COc1cccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc43)n2)c1 ZINC000064949863 556829347 /nfs/dbraw/zinc/82/93/47/556829347.db2.gz KPFJELCNPBJWJA-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN COc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064949661 556829379 /nfs/dbraw/zinc/82/93/79/556829379.db2.gz KXHMOSLSQVTOBA-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN CCCCCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958877 556829695 /nfs/dbraw/zinc/82/96/95/556829695.db2.gz BQUVQBANZIRCED-QGZVFWFLSA-N 0 0 425.964 4.573 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000065003484 556831465 /nfs/dbraw/zinc/83/14/65/556831465.db2.gz VBZKILIJQWWZPI-LJQANCHMSA-N 0 0 448.588 4.709 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)O[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 ZINC000019618646 556831533 /nfs/dbraw/zinc/83/15/33/556831533.db2.gz AUXSUWPLOFWOOD-OAHLLOKOSA-N 0 0 438.505 4.514 50 0 IJAARN CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c(Br)c1-c1ccc(OC)cc1 ZINC000019642793 556838092 /nfs/dbraw/zinc/83/80/92/556838092.db2.gz GILMJGGSVZHUCP-UHFFFAOYSA-N 0 0 445.313 4.560 50 0 IJAARN CC(C)(CNC(=O)/C=C\c1ccc(Cl)cc1)CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000096603225 556838378 /nfs/dbraw/zinc/83/83/78/556838378.db2.gz VVEIXNOIRHCJCC-PVRNWPCDSA-N 0 0 431.363 4.979 50 0 IJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C3 ZINC000019683209 556841873 /nfs/dbraw/zinc/84/18/73/556841873.db2.gz AEHKXSMLJZRTNY-UHFFFAOYSA-N 0 0 432.524 4.828 50 0 IJAARN CCCn1c(SCc2nc3ccccc3c(C)c2C(=O)OC)nnc1-c1ccncc1 ZINC000011211473 556842229 /nfs/dbraw/zinc/84/22/29/556842229.db2.gz OWBBAHGSTYQLTN-UHFFFAOYSA-N 0 0 433.537 4.686 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)nc(C)n2)cc1 ZINC000067602106 556843616 /nfs/dbraw/zinc/84/36/16/556843616.db2.gz WSFQFBJMLVMREX-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1 ZINC000008680900 556844528 /nfs/dbraw/zinc/84/45/28/556844528.db2.gz LIUBRVKLSBHUPW-HXUWFJFHSA-N 0 0 436.537 4.749 50 0 aggregator IJAARN Cc1noc(COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000096812528 556846228 /nfs/dbraw/zinc/84/62/28/556846228.db2.gz AEGRHNGBADXILZ-QXMHVHEDSA-N 0 0 426.432 4.734 50 0 IJAARN Cc1ccc(N2CCN(Cc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000068741475 556849712 /nfs/dbraw/zinc/84/97/12/556849712.db2.gz MGNHOCXYAYGZBV-FQEVSTJZSA-N 0 0 442.538 4.544 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071311 556852072 /nfs/dbraw/zinc/85/20/72/556852072.db2.gz MIVCVSMKHOFAMI-MRXNPFEDSA-N 0 0 431.378 4.549 50 0 IJAARN CCOc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000008939414 556853102 /nfs/dbraw/zinc/85/31/02/556853102.db2.gz DIGLGPWSJAQRCI-UHFFFAOYSA-N 0 0 440.544 4.569 50 0 IJAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCc1cccc(F)c1)n(CC(C)C)c2=O ZINC000033076995 556854266 /nfs/dbraw/zinc/85/42/66/556854266.db2.gz RFXVSTPIYMTZTE-UHFFFAOYSA-N 0 0 441.572 4.870 50 0 IJAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3ccc(OCC(C)C)cc3)sc2c1 ZINC000033088201 556856157 /nfs/dbraw/zinc/85/61/57/556856157.db2.gz JSLKJCJRQYRCKN-SFHVURJKSA-N 0 0 448.548 5.000 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000033088351 556856241 /nfs/dbraw/zinc/85/62/41/556856241.db2.gz NDJWQASZZJHCAM-UHFFFAOYSA-N 0 0 438.959 4.605 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033106846 556859352 /nfs/dbraw/zinc/85/93/52/556859352.db2.gz XJUJBOVKZRYMEY-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 ZINC000033113250 556859839 /nfs/dbraw/zinc/85/98/39/556859839.db2.gz YOOXXELLSYPEDN-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1C ZINC000033113478 556860227 /nfs/dbraw/zinc/86/02/27/556860227.db2.gz OVFHGMXAJNJWNU-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(F)c3)s2)C1 ZINC000033113393 556860275 /nfs/dbraw/zinc/86/02/75/556860275.db2.gz GLPDGSMYRQJXLD-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)N3CCCC[C@@H]3C)c2sc1NC(=O)CC ZINC000033113587 556860370 /nfs/dbraw/zinc/86/03/70/556860370.db2.gz IAZVFKIPMVQWPU-HNNXBMFYSA-N 0 0 446.569 4.515 50 0 IJAARN COC(=O)c1c2ccc(Br)c(OCc3ccccc3)c2sc1NC(C)=O ZINC000033113680 556860728 /nfs/dbraw/zinc/86/07/28/556860728.db2.gz AHJOPXYVBGINSQ-UHFFFAOYSA-N 0 0 434.311 4.988 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1C ZINC000033116460 556862137 /nfs/dbraw/zinc/86/21/37/556862137.db2.gz REHZXFRSYQKQEG-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN CCc1ccc(CNC(=O)c2cc3c(n(-c4ccc(C(C)C)cc4)c2=O)CCCC3=O)cc1 ZINC000033126898 556867434 /nfs/dbraw/zinc/86/74/34/556867434.db2.gz OYRJZZGFRYHCTO-UHFFFAOYSA-N 0 0 442.559 4.972 50 0 IJAARN CCOC(=O)[C@@H](C)NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OC)c2c1 ZINC000033129260 556868422 /nfs/dbraw/zinc/86/84/22/556868422.db2.gz NUMDKEYZMRUIDM-CYBMUJFWSA-N 0 0 427.888 4.637 50 0 IJAARN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130272 556870160 /nfs/dbraw/zinc/87/01/60/556870160.db2.gz PZPYRWCNRJKQKT-UHFFFAOYSA-N 0 0 426.513 4.679 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130456 556870371 /nfs/dbraw/zinc/87/03/71/556870371.db2.gz CRCUBXHYKLQYRD-UHFFFAOYSA-N 0 0 425.444 4.595 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)c1 ZINC000033131040 556871348 /nfs/dbraw/zinc/87/13/48/556871348.db2.gz WNIFUCXGHQFCKZ-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000043729654 556873302 /nfs/dbraw/zinc/87/33/02/556873302.db2.gz QNWDUSMUDZYWSX-LNEBKTTKSA-N 0 0 426.541 4.505 50 0 IJAARN COCCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139898 556875084 /nfs/dbraw/zinc/87/50/84/556875084.db2.gz XVSRHFKPPZRKQF-UHFFFAOYSA-N 0 0 429.929 4.840 50 0 IJAARN OCCOc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cc(F)ccc2F)cc1 ZINC000019720988 556876310 /nfs/dbraw/zinc/87/63/10/556876310.db2.gz AQHBIQRUAWQIEP-SANMLTNESA-N 0 0 434.486 4.965 50 0 IJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1 ZINC000033141891 556877222 /nfs/dbraw/zinc/87/72/22/556877222.db2.gz AUVPEMZJRWBYPE-UHFFFAOYSA-N 0 0 436.471 4.910 50 0 IJAARN CCOc1ccccc1NC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168632 556880647 /nfs/dbraw/zinc/88/06/47/556880647.db2.gz YMFDHIFJDQIHAM-UHFFFAOYSA-N 0 0 434.565 4.882 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033173485 556883239 /nfs/dbraw/zinc/88/32/39/556883239.db2.gz IGVYYVBWYXEZTQ-UHFFFAOYSA-N 0 0 446.834 4.501 50 0 IJAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c21 ZINC000033173167 556883307 /nfs/dbraw/zinc/88/33/07/556883307.db2.gz JSOALCCTIWNEHR-UHFFFAOYSA-N 0 0 431.462 4.634 50 0 IJAARN CN(C)C(=O)c1csc2nc(-c3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)cn12 ZINC000033173939 556884271 /nfs/dbraw/zinc/88/42/71/556884271.db2.gz SYOVMRLBYBPJMV-UHFFFAOYSA-N 0 0 442.903 4.809 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)no2)c1 ZINC000033169429 556884449 /nfs/dbraw/zinc/88/44/49/556884449.db2.gz ZAPJLOYUTAQHDM-UHFFFAOYSA-N 0 0 439.581 4.847 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033170153 556885481 /nfs/dbraw/zinc/88/54/81/556885481.db2.gz VNTKPBNZCQEIBR-UHFFFAOYSA-N 0 0 448.592 4.675 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 ZINC000033170416 556885587 /nfs/dbraw/zinc/88/55/87/556885587.db2.gz AIINIIVEPNECHZ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccccc32)cc1 ZINC000033249262 556888756 /nfs/dbraw/zinc/88/87/56/556888756.db2.gz WIDFHOFRZFNYAI-UHFFFAOYSA-N 0 0 436.577 4.892 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCc1ccccc1 ZINC000033249567 556889588 /nfs/dbraw/zinc/88/95/88/556889588.db2.gz KOJLAFKPWDBTMJ-NDEPHWFRSA-N 0 0 441.575 4.671 50 0 IJAARN Cc1ccc(C)c(OCc2nc(CCN(C)C(=O)Nc3ccccc3C(F)(F)F)no2)c1 ZINC000033252643 556893144 /nfs/dbraw/zinc/89/31/44/556893144.db2.gz CJUFPSBACJRBLE-UHFFFAOYSA-N 0 0 448.445 4.991 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033252437 556893260 /nfs/dbraw/zinc/89/32/60/556893260.db2.gz BMRIPMYEMFGDAW-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN Cc1ccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nn2)cc1 ZINC000033256998 556895517 /nfs/dbraw/zinc/89/55/17/556895517.db2.gz FJBWFMVWXDCCRX-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 ZINC000033258332 556895983 /nfs/dbraw/zinc/89/59/83/556895983.db2.gz FBDOUECRAQBJEO-UHFFFAOYSA-N 0 0 435.528 4.613 50 0 IJAARN CN(C(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C)c1ccc(F)cc1 ZINC000033262623 556900966 /nfs/dbraw/zinc/90/09/66/556900966.db2.gz AHPXCWZMTNXAMU-UHFFFAOYSA-N 0 0 439.537 4.556 50 0 IJAARN COc1ccc(CCN2C(=O)O[C@@](C)(CC(C)(C)c3ccccc3)[C@@]2(C)O)cc1OC ZINC000004727309 556901566 /nfs/dbraw/zinc/90/15/66/556901566.db2.gz SVSSBZAQWDRMDK-LOSJGSFVSA-N 0 0 427.541 4.534 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccc(OC)cc4)CC3)ccc21 ZINC000019774026 556913506 /nfs/dbraw/zinc/91/35/06/556913506.db2.gz CZQBMFGCYDKEKA-UHFFFAOYSA-N 0 0 427.548 4.781 50 0 IJAARN CCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 ZINC000019809898 556918704 /nfs/dbraw/zinc/91/87/04/556918704.db2.gz KBBRIRUGJQQSEI-UHFFFAOYSA-N 0 0 428.282 4.944 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Br)c(C)c3)n2)cc1 ZINC000019816414 556919730 /nfs/dbraw/zinc/91/97/30/556919730.db2.gz IAJYDQRIXWBBHK-UHFFFAOYSA-N 0 0 430.302 4.778 50 0 IJAARN Cc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Br)cc5)nn43)[nH]n2)cc1 ZINC000019827189 556925871 /nfs/dbraw/zinc/92/58/71/556925871.db2.gz KEQKMNGNRQNJIR-UHFFFAOYSA-N 0 0 437.326 4.981 50 0 IJAARN O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000019840604 556929402 /nfs/dbraw/zinc/92/94/02/556929402.db2.gz NWHIFAHFCOCWBT-FQEVSTJZSA-N 0 0 431.363 4.709 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000019858252 556931801 /nfs/dbraw/zinc/93/18/01/556931801.db2.gz STPYFQOEBSKAJN-JOCHJYFZSA-N 0 0 448.588 4.843 50 0 IJAARN Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000019901906 556942034 /nfs/dbraw/zinc/94/20/34/556942034.db2.gz NWYHJSOLMUFBOL-FQEVSTJZSA-N 0 0 426.944 4.815 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@@H](c1cccc(Br)c1)N1CCOCC1)CCCC2 ZINC000019938417 556952528 /nfs/dbraw/zinc/95/25/28/556952528.db2.gz JKWXMEJBWJGHHW-HXUWFJFHSA-N 0 0 449.414 4.769 50 0 IJAARN CC(=O)Nc1sc2c(c1[C@H](c1cccc(Br)c1)N1CCOCC1)CCCC2 ZINC000019938416 556952590 /nfs/dbraw/zinc/95/25/90/556952590.db2.gz JKWXMEJBWJGHHW-FQEVSTJZSA-N 0 0 449.414 4.769 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020095514 556979518 /nfs/dbraw/zinc/97/95/18/556979518.db2.gz RGVYRFTWRFATNM-HSZRJFAPSA-N 0 0 429.520 4.582 50 0 IJAARN CSc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020102445 556980799 /nfs/dbraw/zinc/98/07/99/556980799.db2.gz ZMTKYPLYXWEOOZ-UHFFFAOYSA-N 0 0 438.618 4.504 50 0 IJAARN COc1ccc(OC)c(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267849 556982334 /nfs/dbraw/zinc/98/23/34/556982334.db2.gz SOLXPFACWXZURL-FQEVSTJZSA-N 0 0 430.508 4.544 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)c1 ZINC000023042843 556985521 /nfs/dbraw/zinc/98/55/21/556985521.db2.gz ZLHUOJHCWNIRLP-ZDUSSCGKSA-N 0 0 439.928 4.602 50 0 IJAARN CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020176880 556995410 /nfs/dbraw/zinc/99/54/10/556995410.db2.gz ZZBRDVXMOPBVCU-UHFFFAOYSA-N 0 0 427.551 4.695 50 0 IJAARN COc1cc(OC)cc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020228100 557001050 /nfs/dbraw/zinc/00/10/50/557001050.db2.gz IPUBAOACRGWQJC-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccn1-c1ncccn1 ZINC000020235870 557002276 /nfs/dbraw/zinc/00/22/76/557002276.db2.gz FPFGIZJMZYYCDD-AREMUKBSSA-N 0 0 435.531 4.905 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994260 557002943 /nfs/dbraw/zinc/00/29/43/557002943.db2.gz XYLCZDYBNGDBIP-LTGZKZEYSA-N 0 0 443.507 4.876 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994297 557002949 /nfs/dbraw/zinc/00/29/49/557002949.db2.gz AMMBQCPOFBYOQB-LDADJPATSA-N 0 0 426.263 4.877 50 0 IJAARN COc1ccccc1OCC(=O)N(C[C@H]1CCCO1)c1nc2c(s1)c(Cl)ccc2C ZINC000023108249 557003546 /nfs/dbraw/zinc/00/35/46/557003546.db2.gz VBUYJTHEXDINQE-OAHLLOKOSA-N 0 0 446.956 4.858 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000097998892 557005205 /nfs/dbraw/zinc/00/52/05/557005205.db2.gz UVSQYBDJHZGKLZ-PFONDFGASA-N 0 0 445.607 4.587 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)c2nnn3c2nc(NC2CCCCC2)c2ccccc23)c(C)c1 ZINC000020356016 557010290 /nfs/dbraw/zinc/01/02/90/557010290.db2.gz FXHXHHQXOCYGNZ-UHFFFAOYSA-N 0 0 449.580 4.780 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCc2cccc(OC)c2)c1C ZINC000020356138 557010319 /nfs/dbraw/zinc/01/03/19/557010319.db2.gz FPAGNBONNLLDLB-UHFFFAOYSA-N 0 0 434.536 4.664 50 0 IJAARN CN1CCc2c(sc3nc(NCc4ccccc4)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020391533 557012734 /nfs/dbraw/zinc/01/27/34/557012734.db2.gz NQHCAGMKABIUNE-UHFFFAOYSA-N 0 0 436.968 4.701 50 0 IJAARN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)Cc1ccc(Br)o1 ZINC000097287195 557013444 /nfs/dbraw/zinc/01/34/44/557013444.db2.gz FANBFBQVMSICPZ-ZDUSSCGKSA-N 0 0 426.380 4.685 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)c(N3CCCC3)cc2n(CC)c1=O ZINC000045994426 557014632 /nfs/dbraw/zinc/01/46/32/557014632.db2.gz LLVZSBWFAGEERH-UHFFFAOYSA-N 0 0 445.926 4.880 50 0 IJAARN CCOc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4cccc(F)c4)c3n2)cc1 ZINC000045990969 557016796 /nfs/dbraw/zinc/01/67/96/557016796.db2.gz VAFPZSXUNMLQOA-UHFFFAOYSA-N 0 0 434.471 4.593 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045991872 557017258 /nfs/dbraw/zinc/01/72/58/557017258.db2.gz JXOJZHGHPODMHB-KRWDZBQOSA-N 0 0 428.492 4.552 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)c1 ZINC000045992081 557017553 /nfs/dbraw/zinc/01/75/53/557017553.db2.gz PUURQGNZSRYXQQ-KRWDZBQOSA-N 0 0 428.492 4.552 50 0 IJAARN CCc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000046012281 557018774 /nfs/dbraw/zinc/01/87/74/557018774.db2.gz AVBPDNVMQMHXJD-UHFFFAOYSA-N 0 0 429.476 4.992 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000023137211 557019391 /nfs/dbraw/zinc/01/93/91/557019391.db2.gz WOZYCBAXLDHDEB-UHFFFAOYSA-N 0 0 442.972 4.595 50 0 IJAARN Cc1ccccc1NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 ZINC000046017192 557020377 /nfs/dbraw/zinc/02/03/77/557020377.db2.gz NFOIASAOWKQEDQ-UHFFFAOYSA-N 0 0 440.425 4.980 50 0 IJAARN Cc1sc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)nc1-c1ccc(F)cc1 ZINC000072014858 557020717 /nfs/dbraw/zinc/02/07/17/557020717.db2.gz JOTCVCSPFYUXFZ-UHFFFAOYSA-N 0 0 449.511 4.735 50 0 IJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000010717053 557020769 /nfs/dbraw/zinc/02/07/69/557020769.db2.gz BTLUFFNUKBVGBU-UHFFFAOYSA-N 0 0 431.517 4.542 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(C5CCCCC5)C4)cc3)n2)cc1 ZINC000046018749 557020794 /nfs/dbraw/zinc/02/07/94/557020794.db2.gz WOOSZEJIWBXOLF-HXUWFJFHSA-N 0 0 444.535 4.832 50 0 IJAARN Cc1cccc2sc(NC(=O)Cc3cc(=O)[nH]c(SCc4ccccc4F)n3)nc21 ZINC000023138440 557021653 /nfs/dbraw/zinc/02/16/53/557021653.db2.gz WGNSQDCXYITOGE-UHFFFAOYSA-N 0 0 440.525 4.713 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c(OC)c1 ZINC000046022463 557022228 /nfs/dbraw/zinc/02/22/28/557022228.db2.gz NNAVZIAAVHAPQX-UHFFFAOYSA-N 0 0 429.567 4.609 50 0 IJAARN COc1ccc([C@@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c2nccn2C)cc1 ZINC000010750130 557024467 /nfs/dbraw/zinc/02/44/67/557024467.db2.gz TUJWDBWKNUCRSA-HSZRJFAPSA-N 0 0 439.581 4.544 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000010764211 557025341 /nfs/dbraw/zinc/02/53/41/557025341.db2.gz WLYIZHCTZLZQIP-UHFFFAOYSA-N 0 0 443.478 4.656 50 0 IJAARN O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1nc2ccc(F)cc2s1 ZINC000010776692 557025679 /nfs/dbraw/zinc/02/56/79/557025679.db2.gz HJQHVCHXVIHTFV-UHFFFAOYSA-N 0 0 445.570 4.672 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010810845 557028569 /nfs/dbraw/zinc/02/85/69/557028569.db2.gz MRIPBVLUZUGIBB-FQEVSTJZSA-N 0 0 442.968 4.768 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046057052 557028679 /nfs/dbraw/zinc/02/86/79/557028679.db2.gz ZPNGFZISCWZSNU-GOSISDBHSA-N 0 0 438.325 4.869 50 0 IJAARN CC[C@@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000046073621 557029838 /nfs/dbraw/zinc/02/98/38/557029838.db2.gz XGOGFAWFTGOJGO-OAHLLOKOSA-N 0 0 446.594 4.653 50 0 IJAARN O=C(Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c(C(F)(F)F)c1)c1ccco1 ZINC000022182380 557030839 /nfs/dbraw/zinc/03/08/39/557030839.db2.gz UDXWCKUAMWFUAF-AWEZNQCLSA-N 0 0 443.381 4.615 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000046076285 557032549 /nfs/dbraw/zinc/03/25/49/557032549.db2.gz VDHGOKSQSFSCCB-MRXNPFEDSA-N 0 0 425.506 4.924 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccccc2NC3=O)cc1 ZINC000046077510 557033299 /nfs/dbraw/zinc/03/32/99/557033299.db2.gz VEIMVPDIXZVZIH-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078600 557033558 /nfs/dbraw/zinc/03/35/58/557033558.db2.gz QPAFBJRTMTYZMA-UHFFFAOYSA-N 0 0 427.504 4.799 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C3CCCCC3)c(Cl)cc1O2 ZINC000046077680 557033619 /nfs/dbraw/zinc/03/36/19/557033619.db2.gz ZCPQVQLSLRVQRJ-UHFFFAOYSA-N 0 0 434.945 4.960 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046079019 557033853 /nfs/dbraw/zinc/03/38/53/557033853.db2.gz RMOSAWBYVHTAED-UHFFFAOYSA-N 0 0 446.478 4.848 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046078807 557033863 /nfs/dbraw/zinc/03/38/63/557033863.db2.gz NHYQZWLTOHDQJU-UHFFFAOYSA-N 0 0 448.906 4.972 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)NCCc4ccccc4)c3)C2=O)cc1 ZINC000046079881 557035316 /nfs/dbraw/zinc/03/53/16/557035316.db2.gz GTTFNUVZITXCJX-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000017191143 557035973 /nfs/dbraw/zinc/03/59/73/557035973.db2.gz IXBHHGGDSQVRMT-UHFFFAOYSA-N 0 0 427.334 4.529 50 0 IJAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3c2N1CCC3 ZINC000017190919 557036033 /nfs/dbraw/zinc/03/60/33/557036033.db2.gz JLBIKVSVYFBHSZ-UHFFFAOYSA-N 0 0 434.517 4.505 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)s1 ZINC000046122717 557036271 /nfs/dbraw/zinc/03/62/71/557036271.db2.gz MBSZMYCXPHHIGY-CYBMUJFWSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(CC1CCCC1)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122791 557036504 /nfs/dbraw/zinc/03/65/04/557036504.db2.gz ZHZVTYHQXMRAPQ-HNNXBMFYSA-N 0 0 432.977 4.730 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)s1 ZINC000046123265 557036912 /nfs/dbraw/zinc/03/69/12/557036912.db2.gz JXFRVONJACHICM-CYBMUJFWSA-N 0 0 444.919 4.603 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000046125041 557037485 /nfs/dbraw/zinc/03/74/85/557037485.db2.gz IXENDUDDKNKGBP-KRWDZBQOSA-N 0 0 435.593 4.695 50 0 IJAARN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000017178210 557037757 /nfs/dbraw/zinc/03/77/57/557037757.db2.gz CJVHWGMFDJVCRP-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000010859706 557039067 /nfs/dbraw/zinc/03/90/67/557039067.db2.gz NSNXIZXEQCNTKR-UHFFFAOYSA-N 0 0 441.768 4.545 50 0 IJAARN CCn1nnc2cc(C(=O)O[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)ccc21 ZINC000010853784 557040025 /nfs/dbraw/zinc/04/00/25/557040025.db2.gz PHZZJQUOAOMCSS-HSZRJFAPSA-N 0 0 428.492 4.605 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2cccc(Cl)c2)c2ccccc21)N1CCCCCC1 ZINC000017200904 557040477 /nfs/dbraw/zinc/04/04/77/557040477.db2.gz OTNNIKLDHAOMTA-UHFFFAOYSA-N 0 0 444.984 4.671 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)OCc1cccc2cccnc21 ZINC000010865498 557043904 /nfs/dbraw/zinc/04/39/04/557043904.db2.gz BQEQSSQCXRANNP-KRWDZBQOSA-N 0 0 432.423 4.800 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182691 557044442 /nfs/dbraw/zinc/04/44/42/557044442.db2.gz JMUYSAXUESGRJN-FDDCHVKYSA-N 0 0 438.572 4.961 50 0 IJAARN C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181353 557045427 /nfs/dbraw/zinc/04/54/27/557045427.db2.gz JEKIDGXLWNNTSW-WZONZLPQSA-N 0 0 429.605 4.836 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000023181757 557045834 /nfs/dbraw/zinc/04/58/34/557045834.db2.gz QGFLNGCVAWSCID-CPJSRVTESA-N 0 0 449.620 4.747 50 0 IJAARN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)no1 ZINC000022919500 557046716 /nfs/dbraw/zinc/04/67/16/557046716.db2.gz XABKYMBFTPZPIA-HNNXBMFYSA-N 0 0 448.342 4.695 50 0 IJAARN Clc1cccc(CN2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c1 ZINC000022923533 557047706 /nfs/dbraw/zinc/04/77/06/557047706.db2.gz WSORVSIRURTWDO-UHFFFAOYSA-N 0 0 427.957 4.510 50 0 IJAARN Cc1ccccc1-c1nc(SCc2noc(CCC(=O)Nc3c(C)cccc3C)n2)n[nH]1 ZINC000033270936 557048037 /nfs/dbraw/zinc/04/80/37/557048037.db2.gz AQCFTJFZFOZMHY-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)n[nH]2)cc1 ZINC000033270920 557048049 /nfs/dbraw/zinc/04/80/49/557048049.db2.gz PDTURFGGAKYCME-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN CCOc1ccc(-n2c(S[C@@H](CC)C(=O)OC)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000017268606 557048119 /nfs/dbraw/zinc/04/81/19/557048119.db2.gz YAHBORHFHSIMFH-FQEVSTJZSA-N 0 0 436.537 4.858 50 0 IJAARN CCOC(=O)[C@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OC)cc1 ZINC000017268663 557048276 /nfs/dbraw/zinc/04/82/76/557048276.db2.gz QVDAZRLRIJXUFS-FQEVSTJZSA-N 0 0 436.537 4.858 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccc(Cl)c4)nc3n2)cc1 ZINC000033271812 557049171 /nfs/dbraw/zinc/04/91/71/557049171.db2.gz TUCAWLPECSDACW-UHFFFAOYSA-N 0 0 445.832 4.702 50 0 IJAARN Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NC5CCCCC5)CC4)n3n2)c1 ZINC000033275147 557053585 /nfs/dbraw/zinc/05/35/85/557053585.db2.gz RAHLOQUDQBGGDE-UHFFFAOYSA-N 0 0 445.611 4.987 50 0 IJAARN COc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)c(C)c1 ZINC000033276514 557056831 /nfs/dbraw/zinc/05/68/31/557056831.db2.gz XDWRWNBRCVQWJO-UHFFFAOYSA-N 0 0 439.468 4.661 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000023073750 557061408 /nfs/dbraw/zinc/06/14/08/557061408.db2.gz KYYQKKVNUZSWPP-QHCPKHFHSA-N 0 0 436.508 4.609 50 0 IJAARN CCOc1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948891 557063116 /nfs/dbraw/zinc/06/31/16/557063116.db2.gz GWODOTSSVKWRCI-NRFANRHFSA-N 0 0 436.483 4.929 50 0 IJAARN C[C@H](C1CC1)N(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)C1CC1 ZINC000048303133 557064746 /nfs/dbraw/zinc/06/47/46/557064746.db2.gz ZEBDPXNFJCWDRR-GOSISDBHSA-N 0 0 437.547 4.945 50 0 IJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)NCCCc3ccccc3)CC2)c1 ZINC000033288272 557065507 /nfs/dbraw/zinc/06/55/07/557065507.db2.gz FSZIOSHXSWSCBJ-UHFFFAOYSA-N 0 0 430.552 4.543 50 0 IJAARN COc1ccc(CC(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1Cl ZINC000033281856 557067471 /nfs/dbraw/zinc/06/74/71/557067471.db2.gz INMWUWHMXXGBNM-UHFFFAOYSA-N 0 0 425.916 4.656 50 0 IJAARN O[C@@H](c1cccnc1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000023153361 557069877 /nfs/dbraw/zinc/06/98/77/557069877.db2.gz SDNVSIFOXRTLNZ-AREMUKBSSA-N 0 0 440.547 4.590 50 0 IJAARN CC(=O)Nc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)C)cc4)C3)n2)cc1 ZINC000033289687 557071251 /nfs/dbraw/zinc/07/12/51/557071251.db2.gz BKBSUTHDJADVHU-NRFANRHFSA-N 0 0 432.524 4.838 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3cccc(C)c3)no2)c1C ZINC000033296974 557072884 /nfs/dbraw/zinc/07/28/84/557072884.db2.gz CNHYHQTUDWKBON-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000033296857 557072895 /nfs/dbraw/zinc/07/28/95/557072895.db2.gz BRWYHYVZCKXDFW-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3cc(F)cc(F)c3)c2)n1 ZINC000033297751 557073121 /nfs/dbraw/zinc/07/31/21/557073121.db2.gz IUAIIWJZDJATIH-UHFFFAOYSA-N 0 0 428.551 4.827 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1 ZINC000033297880 557073507 /nfs/dbraw/zinc/07/35/07/557073507.db2.gz ASEUJXFDZVPBCM-GDNBJRDFSA-N 0 0 439.537 4.865 50 0 IJAARN Cc1cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2Cc2ccco2)c2ccccc2)no1 ZINC000048355282 557073668 /nfs/dbraw/zinc/07/36/68/557073668.db2.gz YDGYSMMMSXDRFO-IBGZPJMESA-N 0 0 435.509 4.565 50 0 IJAARN O=C(CSc1ncnc2c3cc(Br)ccc3[nH]c21)Nc1ccccc1F ZINC000033298692 557074528 /nfs/dbraw/zinc/07/45/28/557074528.db2.gz CDPDAJPMDRYTFU-UHFFFAOYSA-N 0 0 431.290 4.744 50 0 IJAARN Cc1ccccc1NC(=O)CSc1ncnc2c3cc(Br)ccc3[nH]c21 ZINC000033298705 557074629 /nfs/dbraw/zinc/07/46/29/557074629.db2.gz SQSMDWJKGFEJOD-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1S[C@@H](C)C(=O)Nc1ccccc1F ZINC000011304401 557081839 /nfs/dbraw/zinc/08/18/39/557081839.db2.gz XMIGPLYKUIIWKR-INIZCTEOSA-N 0 0 428.533 4.752 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1S[C@H](C)C(=O)Nc1ccccc1F ZINC000011304408 557081879 /nfs/dbraw/zinc/08/18/79/557081879.db2.gz XMIGPLYKUIIWKR-MRXNPFEDSA-N 0 0 428.533 4.752 50 0 IJAARN COc1ccc(Nc2nc(-c3nnn(-c4ccccc4Br)c3C)ns2)cc1 ZINC000033302154 557083662 /nfs/dbraw/zinc/08/36/62/557083662.db2.gz WXAHAGPAHVUVRA-UHFFFAOYSA-N 0 0 443.330 4.609 50 0 IJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000033307281 557086865 /nfs/dbraw/zinc/08/68/65/557086865.db2.gz BZBLXAVJSRJEPY-UHFFFAOYSA-N 0 0 428.448 4.526 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cc(C)ccc4F)CC3=O)c2)c1 ZINC000033308656 557089501 /nfs/dbraw/zinc/08/95/01/557089501.db2.gz MVWJHVSNMWNVBW-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN COc1ccc(-c2csc3c2ncn(Cc2ccc(Br)cc2)c3=O)cc1 ZINC000049002880 557090749 /nfs/dbraw/zinc/09/07/49/557090749.db2.gz SWTGEGHCHAPFBP-UHFFFAOYSA-N 0 0 427.323 4.944 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(OC)cc3)csc2c1=O ZINC000049002872 557090817 /nfs/dbraw/zinc/09/08/17/557090817.db2.gz YQTIJKOUNSOAJZ-UHFFFAOYSA-N 0 0 433.533 4.643 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1Cl ZINC000023411326 557091396 /nfs/dbraw/zinc/09/13/96/557091396.db2.gz BGTMNMCTYVWHSL-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN CCc1ccc([C@H](C)NC(=O)c2ccc3[nH]cc(C(=O)C(=O)N4CCCCCC4)c3c2)cc1 ZINC000033310119 557093191 /nfs/dbraw/zinc/09/31/91/557093191.db2.gz OIWSSJDQPJTAJY-SFHVURJKSA-N 0 0 445.563 4.807 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCc1cccnc1 ZINC000004762618 557094307 /nfs/dbraw/zinc/09/43/07/557094307.db2.gz BBYIYPJGMLDLIZ-AEYMSQMJSA-N 0 0 445.607 4.620 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)N1CCCCC1 ZINC000033311047 557094529 /nfs/dbraw/zinc/09/45/29/557094529.db2.gz AHWUZOWOBFQRSS-LJQANCHMSA-N 0 0 440.971 4.897 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1)N1CCCCC1 ZINC000033311123 557094985 /nfs/dbraw/zinc/09/49/85/557094985.db2.gz UUXGRSYMMZMIPQ-GOSISDBHSA-N 0 0 442.506 4.522 50 0 IJAARN Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)sc1-c1ccccn1 ZINC000023499868 557095004 /nfs/dbraw/zinc/09/50/04/557095004.db2.gz CIVBPAQYMBQIJZ-SFHVURJKSA-N 0 0 448.573 4.555 50 0 IJAARN O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000049399673 557095668 /nfs/dbraw/zinc/09/56/68/557095668.db2.gz UKALUCWVLCSSLY-UHFFFAOYSA-N 0 0 430.883 4.870 50 0 IJAARN COc1ccc([C@@H](CNC(=O)Cc2ccc(OC)c(OC)c2)c2c[nH]c3ccccc32)cc1 ZINC000023573181 557099345 /nfs/dbraw/zinc/09/93/45/557099345.db2.gz OSVJPMFVZPAVGR-JOCHJYFZSA-N 0 0 444.531 4.685 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(Cl)c3)c3cc(C)cc(C)c3)cccn12 ZINC000049405104 557100407 /nfs/dbraw/zinc/10/04/07/557100407.db2.gz QKXWOUYGPJWFGF-UHFFFAOYSA-N 0 0 440.956 4.703 50 0 IJAARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1nccs1 ZINC000072191649 557100687 /nfs/dbraw/zinc/10/06/87/557100687.db2.gz DQBYAQPYODZPPN-CYBMUJFWSA-N 0 0 436.006 4.754 50 0 IJAARN CCc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)o1 ZINC000043781554 557100805 /nfs/dbraw/zinc/10/08/05/557100805.db2.gz HCVALECTNSHIKM-GDNBJRDFSA-N 0 0 439.320 4.615 50 0 IJAARN Cc1cc(C(=O)OCC(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1Cc1ccco1 ZINC000017601402 557102718 /nfs/dbraw/zinc/10/27/18/557102718.db2.gz LXWIFXFTFWTENM-UHFFFAOYSA-N 0 0 449.532 4.974 50 0 IJAARN O=C(COc1ccccc1-c1noc(COc2ccc(Cl)cc2)n1)Nc1ccccc1 ZINC000033324957 557107009 /nfs/dbraw/zinc/10/70/09/557107009.db2.gz QQKGVCGZGXPMDI-UHFFFAOYSA-N 0 0 435.867 4.987 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3OC)n2)cc1 ZINC000033325206 557107207 /nfs/dbraw/zinc/10/72/07/557107207.db2.gz GBRWPHQODXRHOT-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(C)cc4)c3)cc2)c1 ZINC000049421972 557109019 /nfs/dbraw/zinc/10/90/19/557109019.db2.gz QFLMGHNLTFYUAH-UHFFFAOYSA-N 0 0 440.503 4.753 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000049545240 557111123 /nfs/dbraw/zinc/11/11/23/557111123.db2.gz SHBFZYLUEFCJCP-KRWDZBQOSA-N 0 0 440.887 4.530 50 0 IJAARN COc1ccc(Oc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)c(Cl)c2)cc1 ZINC000585152217 557112291 /nfs/dbraw/zinc/11/22/91/557112291.db2.gz BGMDGVCHRPCBBN-MTJSOVHGSA-N 0 0 434.904 4.911 50 0 IJAARN O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000023743959 557113719 /nfs/dbraw/zinc/11/37/19/557113719.db2.gz OKPIGMBJCASEPO-SFHVURJKSA-N 0 0 426.847 4.822 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1csc(-c2ccccc2)n1 ZINC000049524339 557114449 /nfs/dbraw/zinc/11/44/49/557114449.db2.gz VQDWMCDNYCVJHF-SFHVURJKSA-N 0 0 433.533 4.840 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000033331694 557115589 /nfs/dbraw/zinc/11/55/89/557115589.db2.gz JYUSUGIGTOOWRQ-SSOJOUAXSA-N 0 0 435.593 4.780 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000033331692 557115591 /nfs/dbraw/zinc/11/55/91/557115591.db2.gz JYUSUGIGTOOWRQ-GKVSMKOHSA-N 0 0 435.593 4.780 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 ZINC000023221593 557115638 /nfs/dbraw/zinc/11/56/38/557115638.db2.gz NALCCTZEAGOLCZ-LJQANCHMSA-N 0 0 442.515 4.516 50 0 IJAARN FC(F)Sc1nc2ccccc2n1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023842189 557119612 /nfs/dbraw/zinc/11/96/12/557119612.db2.gz LRKBEAYOIFOMKM-UHFFFAOYSA-N 0 0 443.445 4.545 50 0 IJAARN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)c1 ZINC000004792634 557125737 /nfs/dbraw/zinc/12/57/37/557125737.db2.gz ZWEHXIRVTVTQRP-RPBOFIJWSA-N 0 0 439.515 4.736 50 0 IJAARN COc1ccc(N2C(=O)C[C@@H](C(=O)NCCC3=CCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004800208 557127416 /nfs/dbraw/zinc/12/74/16/557127416.db2.gz GZNMLKKBCBFIST-NOZRDPDXSA-N 0 0 436.527 4.935 50 0 IJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661955 557131125 /nfs/dbraw/zinc/13/11/25/557131125.db2.gz KXFQWCBFAWGZPL-GFCCVEGCSA-N 0 0 441.553 4.672 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3C)C2)c2ccccc12 ZINC000017964121 557133455 /nfs/dbraw/zinc/13/34/55/557133455.db2.gz HWQNEVZEKISUPY-UXHICEINSA-N 0 0 430.548 4.886 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000023248944 557133625 /nfs/dbraw/zinc/13/36/25/557133625.db2.gz VMGBRJDZFDMXIA-JOCHJYFZSA-N 0 0 445.563 4.503 50 0 IJAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1Br ZINC000017964714 557134079 /nfs/dbraw/zinc/13/40/79/557134079.db2.gz CDLFWODYUFLNGD-ZDUSSCGKSA-N 0 0 441.354 4.800 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000024050280 557134184 /nfs/dbraw/zinc/13/41/84/557134184.db2.gz LSCDKJAAVVZUEM-UHFFFAOYSA-N 0 0 433.515 4.997 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000024757469 557134336 /nfs/dbraw/zinc/13/43/36/557134336.db2.gz HQKZAXFRQNDIMQ-OAHLLOKOSA-N 0 0 447.343 4.872 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2)CC1 ZINC000000679709 557134650 /nfs/dbraw/zinc/13/46/50/557134650.db2.gz FBGBQOZFLVIWBU-HXUWFJFHSA-N 0 0 437.584 4.666 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(Br)cc1F ZINC000011452520 557150372 /nfs/dbraw/zinc/15/03/72/557150372.db2.gz IKRRWZAAJJTESN-UHFFFAOYSA-N 0 0 446.301 4.849 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCCSc3ccccc32)cc1 ZINC000024550258 557151044 /nfs/dbraw/zinc/15/10/44/557151044.db2.gz LLWHPUAWRSQWBQ-UHFFFAOYSA-N 0 0 427.529 4.837 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024608547 557153890 /nfs/dbraw/zinc/15/38/90/557153890.db2.gz KJMJTKGSTRTOKJ-UHFFFAOYSA-N 0 0 449.016 4.863 50 0 IJAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1=O ZINC000011511849 557156468 /nfs/dbraw/zinc/15/64/68/557156468.db2.gz SOFQXBJLUGJOOY-UHFFFAOYSA-N 0 0 443.931 4.962 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2oc1-c1ccccc1 ZINC000024652197 557157290 /nfs/dbraw/zinc/15/72/90/557157290.db2.gz DVOHDQVLRBMJOI-LJQANCHMSA-N 0 0 441.483 4.680 50 0 IJAARN CCOc1ccc(-n2c(SCCN3CCOC3=O)nnc2-c2ccccc2Cl)cc1 ZINC000024716183 557160424 /nfs/dbraw/zinc/16/04/24/557160424.db2.gz CXWFIZRHUUBNKF-UHFFFAOYSA-N 0 0 444.944 4.531 50 0 IJAARN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OCc1ccncc1 ZINC000024749161 557161944 /nfs/dbraw/zinc/16/19/44/557161944.db2.gz OOHURGLSKPQPAJ-VWLOTQADSA-N 0 0 448.519 4.568 50 0 IJAARN CC(C)c1ccccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929335 557162085 /nfs/dbraw/zinc/16/20/85/557162085.db2.gz AUVXLEDILFOJEZ-XMMPIXPASA-N 0 0 426.520 4.772 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)c(Cl)c1 ZINC000024834347 557166446 /nfs/dbraw/zinc/16/64/46/557166446.db2.gz WKZUAOXTTCLETN-UHFFFAOYSA-N 0 0 433.694 4.652 50 0 IJAARN Cc1cc(S(=O)(=O)N(C)C)cc(NCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1C ZINC000024829831 557170063 /nfs/dbraw/zinc/17/00/63/557170063.db2.gz NWOOAHPUGXCUKP-UHFFFAOYSA-N 0 0 442.581 4.704 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1sc(SC)nc1C ZINC000024831128 557170270 /nfs/dbraw/zinc/17/02/70/557170270.db2.gz UTCMJEXBHPVJFG-UHFFFAOYSA-N 0 0 432.398 4.510 50 0 IJAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000207002456 557170450 /nfs/dbraw/zinc/17/04/50/557170450.db2.gz FCOKMQLZMZGIMJ-GOSISDBHSA-N 0 0 428.023 4.603 50 0 IJAARN O=C(COc1cccc2ccccc21)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000024832606 557170906 /nfs/dbraw/zinc/17/09/06/557170906.db2.gz ZXWMWTUVHXNOLX-UHFFFAOYSA-N 0 0 430.483 4.981 50 0 IJAARN Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000000777929 557172960 /nfs/dbraw/zinc/17/29/60/557172960.db2.gz PKKOYODIRMHSHU-UHFFFAOYSA-N 0 0 431.060 4.606 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1cc(C)nc2c1nc1n2CCCCC1 ZINC000024841625 557173609 /nfs/dbraw/zinc/17/36/09/557173609.db2.gz OEVXLAIDKJCWNB-UHFFFAOYSA-N 0 0 428.540 4.829 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000024871670 557173689 /nfs/dbraw/zinc/17/36/89/557173689.db2.gz ACSSMMXISKTLNF-KRWDZBQOSA-N 0 0 444.988 4.947 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)nc1-c1ccccc1 ZINC000024844826 557174237 /nfs/dbraw/zinc/17/42/37/557174237.db2.gz SQHQWLMRKHUIPR-HXUWFJFHSA-N 0 0 447.560 4.812 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4SC)n3C)oc21 ZINC000009263512 557184961 /nfs/dbraw/zinc/18/49/61/557184961.db2.gz DKVUQZFMNZYBLW-UHFFFAOYSA-N 0 0 440.550 4.690 50 0 IJAARN COc1cc(C)ccc1OCc1nnc(SCc2ccc(Br)cc2)n1C ZINC000009306146 557186400 /nfs/dbraw/zinc/18/64/00/557186400.db2.gz SNWLVXPNQQMNNR-UHFFFAOYSA-N 0 0 434.359 4.766 50 0 IJAARN CC(=O)N1C[C@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)Oc2ccccc21 ZINC000025014126 557189218 /nfs/dbraw/zinc/18/92/18/557189218.db2.gz WTXCFMPWECGBSQ-GOSISDBHSA-N 0 0 448.331 4.870 50 0 IJAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)sc1C ZINC000009583238 557190609 /nfs/dbraw/zinc/19/06/09/557190609.db2.gz JTYCBEDZAXTFIA-AWEZNQCLSA-N 0 0 433.578 4.933 50 0 IJAARN COc1cc2nc(C3CCCC3)n(CCc3ccc(OC(F)F)cc3)c(=O)c2cc1OC ZINC000025049075 557190969 /nfs/dbraw/zinc/19/09/69/557190969.db2.gz RGRQNQVTSIUKFW-UHFFFAOYSA-N 0 0 444.478 4.915 50 0 IJAARN CC(C)Cc1noc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)n1 ZINC000025060620 557193090 /nfs/dbraw/zinc/19/30/90/557193090.db2.gz DPURAZLBCYMBRY-UHFFFAOYSA-N 0 0 435.509 4.537 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000000790170 557193789 /nfs/dbraw/zinc/19/37/89/557193789.db2.gz AEDKUKOAXXJLOY-UHFFFAOYSA-N 0 0 448.310 4.992 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)cc1 ZINC000025066036 557193960 /nfs/dbraw/zinc/19/39/60/557193960.db2.gz ICWXDIVRKCLHAP-UHFFFAOYSA-N 0 0 440.521 4.526 50 0 IJAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3nnnn3-c3ccccc3)cc2o1 ZINC000025078577 557194520 /nfs/dbraw/zinc/19/45/20/557194520.db2.gz RXUNQJZDJVZUHF-UHFFFAOYSA-N 0 0 430.851 4.668 50 0 IJAARN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cccc(C(F)(F)F)c1 ZINC000072232396 557194527 /nfs/dbraw/zinc/19/45/27/557194527.db2.gz OSOZIODPNZNVSW-SNVBAGLBSA-N 0 0 440.256 4.788 50 0 IJAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000025108634 557195562 /nfs/dbraw/zinc/19/55/62/557195562.db2.gz LQDZOXUJULLUNB-UHFFFAOYSA-N 0 0 428.532 4.673 50 0 IJAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100873359 557196153 /nfs/dbraw/zinc/19/61/53/557196153.db2.gz UOZBKGBXXWEWQW-UZYVYHOESA-N 0 0 439.762 4.896 50 0 IJAARN CN(Cc1ccccc1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000025266623 557202108 /nfs/dbraw/zinc/20/21/08/557202108.db2.gz TWVQIBNPQSGGNG-UHFFFAOYSA-N 0 0 430.577 4.827 50 0 IJAARN C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1ccccc1)N1CCOCC1 ZINC000025356404 557205895 /nfs/dbraw/zinc/20/58/95/557205895.db2.gz KTUOLHGIWLZTFO-VBKZILBWSA-N 0 0 432.948 4.886 50 0 IJAARN CCCc1ccc(C(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000011613134 557209011 /nfs/dbraw/zinc/20/90/11/557209011.db2.gz YJLJGNRQZQJQOB-UHFFFAOYSA-N 0 0 434.561 4.638 50 0 IJAARN Clc1ccc(CSc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000025480816 557212110 /nfs/dbraw/zinc/21/21/10/557212110.db2.gz RHZZYLHNFFJQDG-UHFFFAOYSA-N 0 0 432.014 4.958 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1)[C@@H]1CCCO1 ZINC000025509227 557212342 /nfs/dbraw/zinc/21/23/42/557212342.db2.gz JIDQZFKZVVUPQR-GHTZIAJQSA-N 0 0 438.574 4.715 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097138010 557212418 /nfs/dbraw/zinc/21/24/18/557212418.db2.gz SMXCUAFHUFFOBI-HXUWFJFHSA-N 0 0 442.357 4.802 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(OC)c1 ZINC000000797677 557212908 /nfs/dbraw/zinc/21/29/08/557212908.db2.gz HDMJDZLNRDSRRQ-RUZDIDTESA-N 0 0 448.544 4.730 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1c(Cl)cccc1Cl ZINC000025560770 557214681 /nfs/dbraw/zinc/21/46/81/557214681.db2.gz BOJVRARLNLUTKF-SFHVURJKSA-N 0 0 444.318 4.745 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc(-n2ccnc2)nc1 ZINC000025572769 557215112 /nfs/dbraw/zinc/21/51/12/557215112.db2.gz XFLWDCGBIWHNHA-HXUWFJFHSA-N 0 0 441.922 4.964 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 ZINC000025576797 557215729 /nfs/dbraw/zinc/21/57/29/557215729.db2.gz SKSPUQUIWLYCRK-HXUWFJFHSA-N 0 0 442.972 4.694 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)cc1OC ZINC000025618705 557219589 /nfs/dbraw/zinc/21/95/89/557219589.db2.gz GIIYPSXZDVPKEK-OAHLLOKOSA-N 0 0 426.494 4.588 50 0 IJAARN COc1cccc(NC(=O)[C@H](OC(=O)/C=C/c2ccc(OC)c(OC)c2)c2ccccc2)c1 ZINC000010795865 557224695 /nfs/dbraw/zinc/22/46/95/557224695.db2.gz ANNLKXDIOWRKQN-IVYUTVGYSA-N 0 0 447.487 4.649 50 0 IJAARN COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000000809722 557228933 /nfs/dbraw/zinc/22/89/33/557228933.db2.gz NXOSQOKHDCIBCX-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)c12 ZINC000025893256 557229466 /nfs/dbraw/zinc/22/94/66/557229466.db2.gz QFAVMXCOLIVQSG-INIZCTEOSA-N 0 0 449.580 4.836 50 0 IJAARN O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000011549419 557229745 /nfs/dbraw/zinc/22/97/45/557229745.db2.gz DBCOZKPOATYLPT-UHFFFAOYSA-N 0 0 445.363 4.667 50 0 IJAARN CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1)c1cccc(C)c1 ZINC000098211388 557234618 /nfs/dbraw/zinc/23/46/18/557234618.db2.gz OFWLRHQJBMLZPO-UHFFFAOYSA-N 0 0 434.471 4.714 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCC[C@H]1c1cccs1 ZINC000026225347 557237386 /nfs/dbraw/zinc/23/73/86/557237386.db2.gz UHAAHPZCTQZONF-INIZCTEOSA-N 0 0 430.624 4.783 50 0 IJAARN Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000027016980 557253835 /nfs/dbraw/zinc/25/38/35/557253835.db2.gz NVGZHEJBLNKIJJ-IWIPYMOSSA-N 0 0 448.551 4.926 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)o2)s1 ZINC000027060026 557256120 /nfs/dbraw/zinc/25/61/20/557256120.db2.gz NRDJKHHZWRFWFW-UHFFFAOYSA-N 0 0 443.381 4.867 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@H]1Cc2ccccc2C(=O)O1 ZINC000027082141 557256658 /nfs/dbraw/zinc/25/66/58/557256658.db2.gz NBOLFTBHXRSZGL-HYBUGGRVSA-N 0 0 444.918 4.851 50 0 IJAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 ZINC000100314021 557257411 /nfs/dbraw/zinc/25/74/11/557257411.db2.gz CWEWLZOPBOOXFN-OAHLLOKOSA-N 0 0 443.739 4.651 50 0 IJAARN Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C ZINC000100394790 557259977 /nfs/dbraw/zinc/25/99/77/557259977.db2.gz LMEHFKMJWYTNJD-RTBURBONSA-N 0 0 425.912 4.898 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000032953556 557261516 /nfs/dbraw/zinc/26/15/16/557261516.db2.gz ZEEZHRMFEFHAJH-UHFFFAOYSA-N 0 0 444.560 4.673 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc32)cc1 ZINC000027564047 557265834 /nfs/dbraw/zinc/26/58/34/557265834.db2.gz MXUOJXLJJYAQCI-SANMLTNESA-N 0 0 439.515 4.679 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccc(Cl)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281945 557266958 /nfs/dbraw/zinc/26/69/58/557266958.db2.gz USZFQKXJXRKTFI-UHFFFAOYSA-N 0 0 442.906 4.710 50 0 IJAARN C[C@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)c1ccccc1 ZINC000101282162 557267112 /nfs/dbraw/zinc/26/71/12/557267112.db2.gz HBULTBMPNWNHTN-HNNXBMFYSA-N 0 0 442.906 4.963 50 0 IJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000027663416 557269392 /nfs/dbraw/zinc/26/93/92/557269392.db2.gz PHHVWINOQJNKNU-QGZVFWFLSA-N 0 0 442.512 4.695 50 0 IJAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000027664611 557270614 /nfs/dbraw/zinc/27/06/14/557270614.db2.gz CLKQFTNVXMTCPN-OAQYLSRUSA-N 0 0 428.444 4.772 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000000827142 557270726 /nfs/dbraw/zinc/27/07/26/557270726.db2.gz XLKMQCWQDDQCJM-IEZBTEQYSA-N 0 0 428.579 4.576 50 0 IJAARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccc(F)cc1)=C(C)N2 ZINC000032955135 557271696 /nfs/dbraw/zinc/27/16/96/557271696.db2.gz OHHBTVGUMIIPJK-QGZVFWFLSA-N 0 0 429.908 4.720 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@H]2C1 ZINC000100744926 557275800 /nfs/dbraw/zinc/27/58/00/557275800.db2.gz BERXNMPMOXOUNS-SJORKVTESA-N 0 0 440.293 4.514 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000101094462 557282927 /nfs/dbraw/zinc/28/29/27/557282927.db2.gz WHHSGVRPKRHIJC-UHFFFAOYSA-N 0 0 426.538 4.874 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101397825 557283410 /nfs/dbraw/zinc/28/34/10/557283410.db2.gz JTGQXNWBHOVVDV-JOCHJYFZSA-N 0 0 441.597 4.685 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1Cl ZINC000011665520 557284147 /nfs/dbraw/zinc/28/41/47/557284147.db2.gz HGSBMNWXDHFZQE-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(OC)cc1)C[C@@H]2C(F)(F)F ZINC000101192637 557284693 /nfs/dbraw/zinc/28/46/93/557284693.db2.gz STQAOONVQUCQKU-LEWSCRJBSA-N 0 0 430.858 4.734 50 0 IJAARN CSc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)n2)c1 ZINC000049006388 557299268 /nfs/dbraw/zinc/29/92/68/557299268.db2.gz OVFIWXCWAQKUQQ-UHFFFAOYSA-N 0 0 446.410 4.570 50 0 IJAARN COc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101835568 557301940 /nfs/dbraw/zinc/30/19/40/557301940.db2.gz IIVBMGJMHRJDNI-HSZRJFAPSA-N 0 0 437.503 4.903 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)cc1 ZINC000101880804 557304955 /nfs/dbraw/zinc/30/49/55/557304955.db2.gz RHMGZGWQAZUBHM-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)NCCCc1ccccc1)C(=O)CC(c1cccs1)=N2 ZINC000101947535 557308329 /nfs/dbraw/zinc/30/83/29/557308329.db2.gz CQUQLEXSLNTEIO-UHFFFAOYSA-N 0 0 445.588 4.971 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(C)c(Cl)c3)ccc2=O)cc1C ZINC000033128090 557324559 /nfs/dbraw/zinc/32/45/59/557324559.db2.gz VAUZDQYENVJFMU-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccccc1/C=C1\SC(=S)N(CNc2ccccc2Br)C1=O ZINC000033397784 557326493 /nfs/dbraw/zinc/32/64/93/557326493.db2.gz PGRHNYHLBHEGQG-YBEGLDIGSA-N 0 0 435.368 4.729 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C ZINC000033296902 557330417 /nfs/dbraw/zinc/33/04/17/557330417.db2.gz ZPLPUOZSCWMPPY-UHFFFAOYSA-N 0 0 432.871 4.969 50 0 IJAARN COc1ccc(NC(=O)CSc2nccc3c2ccn3Cc2ccccc2)cc1OC ZINC000033298387 557330677 /nfs/dbraw/zinc/33/06/77/557330677.db2.gz OUEBIJMGOGFXPS-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN CC1CCN(c2ccc(-c3noc(CCC(=O)N4CCCc5ccccc54)n3)cc2)CC1 ZINC000033283423 557331803 /nfs/dbraw/zinc/33/18/03/557331803.db2.gz GNYJRZUWSPGAJN-UHFFFAOYSA-N 0 0 430.552 4.885 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCC[C@@H]3c4ccccc4NC3=O)c2oc1-c1ccccc1 ZINC000102489903 557332250 /nfs/dbraw/zinc/33/22/50/557332250.db2.gz HPJRDLWSESFKSS-LJQANCHMSA-N 0 0 438.483 4.624 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1F ZINC000033288609 557332287 /nfs/dbraw/zinc/33/22/87/557332287.db2.gz HTYZEAUKDVEOGN-MRXNPFEDSA-N 0 0 438.528 4.631 50 0 IJAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n([C@@H](C)C(=O)Nc2ccccc2C)c1=O ZINC000033317892 557332852 /nfs/dbraw/zinc/33/28/52/557332852.db2.gz GSKOTTWSPUTUJY-KRWDZBQOSA-N 0 0 440.503 4.530 50 0 IJAARN COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc(OC)c1 ZINC000033318611 557332960 /nfs/dbraw/zinc/33/29/60/557332960.db2.gz KBRHGNXENBORCS-UHFFFAOYSA-N 0 0 448.527 4.790 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000014360511 557336273 /nfs/dbraw/zinc/33/62/73/557336273.db2.gz BXQRSAZQOYHAEU-HTAPYJJXSA-N 0 0 432.520 4.762 50 0 IJAARN O=C(NCc1ccccc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023328570 557338005 /nfs/dbraw/zinc/33/80/05/557338005.db2.gz ZUQKYPOZBJPEHR-UHFFFAOYSA-N 0 0 439.481 4.721 50 0 IJAARN Cc1nc(-c2ccccc2)nc(N2CCCN(C(=O)C(C)C)CC2)c1Cc1ccccc1 ZINC000033661566 557341828 /nfs/dbraw/zinc/34/18/28/557341828.db2.gz JZYNEYZIONPRGO-UHFFFAOYSA-N 0 0 428.580 4.738 50 0 IJAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(OC)cc2)CC1=O ZINC000102530223 557341796 /nfs/dbraw/zinc/34/17/96/557341796.db2.gz FXGNYRWNQVELAS-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C(C)=O)c3)C(=O)C2)cc1 ZINC000102530844 557342818 /nfs/dbraw/zinc/34/28/18/557342818.db2.gz UYGVDJIIJGOVIF-UHFFFAOYSA-N 0 0 439.515 4.948 50 0 IJAARN COc1cc(CN(C)C(=O)c2c(C)noc2-c2ccccc2Cl)cc(OC)c1OC ZINC000023336368 557348754 /nfs/dbraw/zinc/34/87/54/557348754.db2.gz CMGVCTFNMCNZIM-UHFFFAOYSA-N 0 0 430.888 4.601 50 0 IJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000023334672 557349757 /nfs/dbraw/zinc/34/97/57/557349757.db2.gz UOABSVYBIOSVRH-GFCCVEGCSA-N 0 0 445.313 4.921 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000023489376 557364518 /nfs/dbraw/zinc/36/45/18/557364518.db2.gz GDHIICSJUKXLCS-HNNXBMFYSA-N 0 0 430.476 4.565 50 0 IJAARN CC(C)c1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(OS(C)(=O)=O)cc2)cc1 ZINC000033780539 557364704 /nfs/dbraw/zinc/36/47/04/557364704.db2.gz DHZSXNLAVTUVGV-UHFFFAOYSA-N 0 0 442.537 4.976 50 0 IJAARN CSc1ccc(CN(C)C(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 ZINC000023531249 557365570 /nfs/dbraw/zinc/36/55/70/557365570.db2.gz FZEMYLUBTIECLI-HUUFRCNWSA-N 0 0 428.642 4.724 50 0 IJAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102712501 557373937 /nfs/dbraw/zinc/37/39/37/557373937.db2.gz DOMCVTQHEFCIBE-YPAWHYETSA-N 0 0 436.870 4.839 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@@H]1c1ccccc1Cl ZINC000102744616 557377438 /nfs/dbraw/zinc/37/74/38/557377438.db2.gz VUANJWJGXBJZPA-RNODOKPDSA-N 0 0 447.988 4.783 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccccc3SCc3cn4ccccc4n3)CC2)c1 ZINC000023885319 557377602 /nfs/dbraw/zinc/37/76/02/557377602.db2.gz JACRYKCMQLOOMI-UHFFFAOYSA-N 0 0 442.588 4.897 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cc(OC)cc(OC)c3)C2)cc1 ZINC000102745048 557377546 /nfs/dbraw/zinc/37/75/46/557377546.db2.gz LKHWEYKXPUEDCQ-RCDICMHDSA-N 0 0 448.479 4.724 50 0 IJAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799821 557390137 /nfs/dbraw/zinc/39/01/37/557390137.db2.gz IQEWYRIAWOJENO-MRXNPFEDSA-N 0 0 449.255 4.707 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)c(OC)c1 ZINC000102800012 557390200 /nfs/dbraw/zinc/39/02/00/557390200.db2.gz WVEKZZLCEGSDOD-MRXNPFEDSA-N 0 0 434.830 4.606 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118917322 557406086 /nfs/dbraw/zinc/40/60/86/557406086.db2.gz SDHHPVPFUVQWKY-ANLMBLDGSA-N 0 0 428.569 4.938 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC(Cc3ncc[nH]3)CC2)cc1 ZINC000408516500 557412016 /nfs/dbraw/zinc/41/20/16/557412016.db2.gz AIWXLWFHMVHGHW-UHFFFAOYSA-N 0 0 442.563 4.981 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(C)c3)C2)cc1OC ZINC000408525671 557414271 /nfs/dbraw/zinc/41/42/71/557414271.db2.gz QBLOIVSGGLWYHS-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN COc1cccc(CC(=O)N2CCCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000102968470 557414233 /nfs/dbraw/zinc/41/42/33/557414233.db2.gz FQLVRSUHDJOPTE-UHFFFAOYSA-N 0 0 441.531 4.656 50 0 IJAARN COc1ccc(Br)c(C(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000014129029 557421274 /nfs/dbraw/zinc/42/12/74/557421274.db2.gz BAPWWDUQKHVEPS-UHFFFAOYSA-N 0 0 443.135 4.501 50 0 IJAARN CCC(=O)N1CCN(c2nc(C(C)C)nc(CC)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317541 557451692 /nfs/dbraw/zinc/45/16/92/557451692.db2.gz VTRKSJTZBSEOHD-UHFFFAOYSA-N 0 0 432.971 4.604 50 0 IJAARN Cc1cc(C)nc(SCC(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C=C4C)n1 ZINC000575472999 557463105 /nfs/dbraw/zinc/46/31/05/557463105.db2.gz QWUFZEYXZDGHHQ-UHFFFAOYSA-N 0 0 435.549 4.807 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)c2cccc(I)c2)cc1OCC ZINC000016448465 557474277 /nfs/dbraw/zinc/47/42/77/557474277.db2.gz HHIOJJVBPKGONT-ZDUSSCGKSA-N 0 0 439.293 4.580 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)o1 ZINC000085786765 557516871 /nfs/dbraw/zinc/51/68/71/557516871.db2.gz SQJOYCWMDGMIFV-HNNXBMFYSA-N 0 0 427.932 4.527 50 0 IJAARN CCOc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1 ZINC000012070122 557526134 /nfs/dbraw/zinc/52/61/34/557526134.db2.gz ACGWUQOAMZSERZ-UHFFFAOYSA-N 0 0 444.578 4.572 50 0 IJAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)Nc2ccccc2)c1 ZINC000012062305 557526355 /nfs/dbraw/zinc/52/63/55/557526355.db2.gz XDVDFFQYNICSGE-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1OC ZINC000106428188 557529351 /nfs/dbraw/zinc/52/93/51/557529351.db2.gz IQEICOKARDJQSB-GOSISDBHSA-N 0 0 449.429 4.900 50 0 IJAARN O=C(CCc1ccccc1Br)NCC1(Sc2ccccc2)CCOCC1 ZINC000211071756 557533061 /nfs/dbraw/zinc/53/30/61/557533061.db2.gz YPCZBDKSILZMMR-UHFFFAOYSA-N 0 0 434.399 4.839 50 0 IJAARN CC(C)c1ccc(CN(C)[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951038 557544680 /nfs/dbraw/zinc/54/46/80/557544680.db2.gz DOAOTUSMQUGLHO-FTJBHMTQSA-N 0 0 434.605 4.886 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 ZINC000045921604 557547531 /nfs/dbraw/zinc/54/75/31/557547531.db2.gz XUCBKJZQCMFALH-HXUWFJFHSA-N 0 0 446.620 4.982 50 0 IJAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1Sc1ccc(C)cc1)n(C)c(=O)n2C ZINC000045940938 557549353 /nfs/dbraw/zinc/54/93/53/557549353.db2.gz LCBQUVMZCQONDS-UHFFFAOYSA-N 0 0 447.560 4.988 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2OC)cc1 ZINC000045941990 557551544 /nfs/dbraw/zinc/55/15/44/557551544.db2.gz VACQPNQUOPGQQC-QHCPKHFHSA-N 0 0 429.472 4.535 50 0 IJAARN Cc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2C2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000040157703 557706842 /nfs/dbraw/zinc/70/68/42/557706842.db2.gz BLBFKYNWZYAMSF-JWQCQUIFSA-N 0 0 444.531 4.532 50 0 IJAARN Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCCC2)cc1 ZINC000040158919 557707537 /nfs/dbraw/zinc/70/75/37/557707537.db2.gz RVTGUEURNPMIDI-SILNSSARSA-N 0 0 426.516 4.809 50 0 IJAARN Cc1nc2ccc(Br)cn2c1C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000225422756 557721602 /nfs/dbraw/zinc/72/16/02/557721602.db2.gz BSUGPRVQGGAQBU-UHFFFAOYSA-N 0 0 448.748 4.742 50 0 IJAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000225539588 557738623 /nfs/dbraw/zinc/73/86/23/557738623.db2.gz SGTUPTYJQFKQCW-UHFFFAOYSA-N 0 0 443.396 4.520 50 0 IJAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000225540415 557738985 /nfs/dbraw/zinc/73/89/85/557738985.db2.gz HITYARSTSMOFNZ-UHFFFAOYSA-N 0 0 430.614 4.645 50 0 IJAARN Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1C ZINC000225687615 557763670 /nfs/dbraw/zinc/76/36/70/557763670.db2.gz GLHDCZLRMQEMIX-UHFFFAOYSA-N 0 0 444.535 4.977 50 0 IJAARN O=C(Nc1ccc(-c2ncco2)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000225853117 557785520 /nfs/dbraw/zinc/78/55/20/557785520.db2.gz CZLCESNSQLDUPO-UHFFFAOYSA-N 0 0 447.413 4.756 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000845578 557828887 /nfs/dbraw/zinc/82/88/87/557828887.db2.gz VNPYXYHIPLNFOV-SFHVURJKSA-N 0 0 436.364 4.824 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000000851326 557830874 /nfs/dbraw/zinc/83/08/74/557830874.db2.gz XIOUMKTZXVWOPP-UHFFFAOYSA-N 0 0 441.512 4.897 50 0 IJAARN O=C(Nc1cnc2ccccc2c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000855939 557831407 /nfs/dbraw/zinc/83/14/07/557831407.db2.gz BVQYPFPOHKHRTQ-UHFFFAOYSA-N 0 0 434.381 4.611 50 0 IJAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O ZINC000014083565 557836883 /nfs/dbraw/zinc/83/68/83/557836883.db2.gz SGGLHCIGQDZJHU-RLLQIKCJSA-N 0 0 433.577 4.612 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000000865305 557839050 /nfs/dbraw/zinc/83/90/50/557839050.db2.gz ZQQYJBOQBVGPFO-FUHWJXTLSA-N 0 0 432.402 4.510 50 0 IJAARN Cc1ccccc1S(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 ZINC000240756940 557845772 /nfs/dbraw/zinc/84/57/72/557845772.db2.gz HVPAETZWCKJAIG-HXUWFJFHSA-N 0 0 434.546 4.540 50 0 IJAARN Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C ZINC000000878172 557848647 /nfs/dbraw/zinc/84/86/47/557848647.db2.gz PNYFAVROAFXIIF-UHFFFAOYSA-N 0 0 429.977 4.737 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 ZINC000000877899 557848664 /nfs/dbraw/zinc/84/86/64/557848664.db2.gz XYICGIWIAUBMFT-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN CC(C)c1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294778 557849991 /nfs/dbraw/zinc/84/99/91/557849991.db2.gz AFJANWBPFDEJLC-AXMKBWGCSA-N 0 0 446.584 4.533 50 0 IJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000018831434 557862209 /nfs/dbraw/zinc/86/22/09/557862209.db2.gz WNXNHYDMYCSDMS-UHFFFAOYSA-N 0 0 441.018 4.629 50 0 IJAARN CC(=O)N1C=CN(C(C)=O)[C@@H](c2cn(C)c3ccccc23)[C@H]1c1cn(C)c2ccccc12 ZINC000000786350 562919137 /nfs/dbraw/zinc/91/91/37/562919137.db2.gz UVAQROSNPJICDA-WMPKNSHKSA-N 0 0 426.520 4.634 50 0 biogenic IJAARN CC(=O)N1C=CN(C(C)=O)[C@@H](c2cn(C)c3ccccc23)[C@@H]1c1cn(C)c2ccccc12 ZINC000000786352 562919174 /nfs/dbraw/zinc/91/91/74/562919174.db2.gz UVAQROSNPJICDA-UIOOFZCWSA-N 0 0 426.520 4.634 50 0 biogenic IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3ccc(O)cc3)n2)cc1 ZINC000000920506 562919613 /nfs/dbraw/zinc/91/96/13/562919613.db2.gz BOHICRUXCPLFCG-UHFFFAOYSA-N 0 0 449.454 4.998 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 ZINC000000949705 562919751 /nfs/dbraw/zinc/91/97/51/562919751.db2.gz XIIFFPVJZXFAJO-OAQYLSRUSA-N 0 0 442.910 4.921 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N[C@H]3CCCc4ccccc43)c(C)c2c1 ZINC000002459878 562928031 /nfs/dbraw/zinc/92/80/31/562928031.db2.gz NXDIEEQCFQCJGG-NRFANRHFSA-N 0 0 440.565 4.579 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1nnc(C)s1 ZINC000002617630 562928452 /nfs/dbraw/zinc/92/84/52/562928452.db2.gz DLRNHCYYUVCKLQ-LLVKDONJSA-N 0 0 433.580 4.871 50 0 IJAARN CCn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccccc1 ZINC000002639388 562928970 /nfs/dbraw/zinc/92/89/70/562928970.db2.gz QEQMXTGQGCYGNM-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN O=C(c1ccc(Br)o1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724508 562929986 /nfs/dbraw/zinc/92/99/86/562929986.db2.gz SWNAZEZCJVDZBQ-LJQANCHMSA-N 0 0 445.700 4.879 50 0 aggregator IJAARN COc1ccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724530 562930034 /nfs/dbraw/zinc/93/00/34/562930034.db2.gz ZPCBRPSRFWVBOR-DEOSSOPVSA-N 0 0 438.886 4.601 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000002726067 562930113 /nfs/dbraw/zinc/93/01/13/562930113.db2.gz OEMJFRUFLODFSF-UHFFFAOYSA-N 0 0 439.855 4.931 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1F)CC2 ZINC000003006457 562931574 /nfs/dbraw/zinc/93/15/74/562931574.db2.gz XALPKIIWDULWBJ-JOCHJYFZSA-N 0 0 439.458 4.801 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)C1 ZINC000003023598 562931720 /nfs/dbraw/zinc/93/17/20/562931720.db2.gz APFVLOSQWQYRQH-CHWSQXEVSA-N 0 0 442.915 4.537 50 0 IJAARN COc1cccc(-n2c3[nH]c(=S)n(-c4ccccc4OC)c(=O)c3sc2=S)c1 ZINC000003027003 562931849 /nfs/dbraw/zinc/93/18/49/562931849.db2.gz VKKJMFJSWFLKJT-UHFFFAOYSA-N 0 0 429.548 4.647 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1 ZINC000003031163 562931878 /nfs/dbraw/zinc/93/18/78/562931878.db2.gz RJHFGZJOBRNRQX-UHFFFAOYSA-N 0 0 430.545 4.864 50 0 IJAARN Cc1nc2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccc(F)cc1 ZINC000003041603 562932103 /nfs/dbraw/zinc/93/21/03/562932103.db2.gz SUJFLAHGQHWXKL-UHFFFAOYSA-N 0 0 436.918 4.702 50 0 IJAARN COc1cccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(Cl)cc2)c1 ZINC000003040112 562932122 /nfs/dbraw/zinc/93/21/22/562932122.db2.gz BHCUJZZXJIFNTP-QHCPKHFHSA-N 0 0 426.944 4.593 50 0 IJAARN Cc1nc(C)c(NC(=O)N2CCc3ccccc32)cc1NC(=O)N1CCc2ccccc21 ZINC000003261373 562933488 /nfs/dbraw/zinc/93/34/88/562933488.db2.gz VMXAOJJYOVKZPV-UHFFFAOYSA-N 0 0 427.508 4.888 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000003296323 562933912 /nfs/dbraw/zinc/93/39/12/562933912.db2.gz MZEOTZUKMDFVAD-UHFFFAOYSA-N 0 0 432.498 4.759 50 0 IJAARN O=C1c2ccccc2N[C@@H](c2cc3c(c(Br)c2)OCO3)N1Cc1ccco1 ZINC000003353080 562934697 /nfs/dbraw/zinc/93/46/97/562934697.db2.gz NEHBJWCXGIMGLW-LJQANCHMSA-N 0 0 427.254 4.538 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)CCC2 ZINC000003365142 562934891 /nfs/dbraw/zinc/93/48/91/562934891.db2.gz RHPQXKACBFKHMZ-UHFFFAOYSA-N 0 0 445.519 4.744 50 0 aggregator IJAARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)NCc1ccco1 ZINC000003449828 562936026 /nfs/dbraw/zinc/93/60/26/562936026.db2.gz BXNBSEVTFJGFHO-UHFFFAOYSA-N 0 0 426.881 4.683 50 0 aggregator IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000006156957 562946420 /nfs/dbraw/zinc/94/64/20/562946420.db2.gz IWFQVSUEYLVPCV-GOSISDBHSA-N 0 0 445.494 4.784 50 0 IJAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)c2ccc(C)c(C)c2)c1=O ZINC000008587481 562950324 /nfs/dbraw/zinc/95/03/24/562950324.db2.gz LVTCZZHSHIHKDJ-UHFFFAOYSA-N 0 0 439.515 4.830 50 0 IJAARN Cc1nn(CCCC(=O)NCc2cccc(Cl)c2)c(=O)c2c3ccccc3sc21 ZINC000008587792 562950445 /nfs/dbraw/zinc/95/04/45/562950445.db2.gz BRGMONNPUXRDER-UHFFFAOYSA-N 0 0 425.941 4.670 50 0 aggregator IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N[C@@H](C)c4ccccc4)nc23)cc1 ZINC000008589542 562951281 /nfs/dbraw/zinc/95/12/81/562951281.db2.gz MXWNYMNWSAHNDN-HNNXBMFYSA-N 0 0 449.561 4.653 50 0 IJAARN Cc1cccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000008589949 562951398 /nfs/dbraw/zinc/95/13/98/562951398.db2.gz LMYHXMQZZCQRRU-QFIPXVFZSA-N 0 0 440.482 4.715 50 0 IJAARN Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccnc1O2 ZINC000008590294 562951653 /nfs/dbraw/zinc/95/16/53/562951653.db2.gz HAFSQTOKUPHLHL-UHFFFAOYSA-N 0 0 427.382 4.800 50 0 IJAARN CCCCSCCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000008590404 562951702 /nfs/dbraw/zinc/95/17/02/562951702.db2.gz ZKKTZTUSOIDNGZ-UHFFFAOYSA-N 0 0 433.961 4.527 50 0 IJAARN O=C(NC1CC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000008591216 562952019 /nfs/dbraw/zinc/95/20/19/562952019.db2.gz FBFCHZSYAHHMPL-UHFFFAOYSA-N 0 0 432.524 4.803 50 0 IJAARN Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)N[C@@H](C)c3ccccc3)nn2c1C ZINC000008591725 562952139 /nfs/dbraw/zinc/95/21/39/562952139.db2.gz JEEDNOQHEAKDFB-KRWDZBQOSA-N 0 0 445.592 4.610 50 0 IJAARN COc1cc(OC)c(NC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1Cl ZINC000008592085 562952221 /nfs/dbraw/zinc/95/22/21/562952221.db2.gz GSVFXWBUWMHRHQ-UHFFFAOYSA-N 0 0 441.915 4.536 50 0 IJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)NCc1ccccc1Cl ZINC000008597624 562954035 /nfs/dbraw/zinc/95/40/35/562954035.db2.gz PXSYIRBLPXVXBL-NDEPHWFRSA-N 0 0 437.348 4.522 50 0 IJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000008597631 562954055 /nfs/dbraw/zinc/95/40/55/562954055.db2.gz FGSJMEXNQOYICV-NDEPHWFRSA-N 0 0 437.348 4.522 50 0 IJAARN CCOc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1 ZINC000008598561 562954324 /nfs/dbraw/zinc/95/43/24/562954324.db2.gz UVJQBTYCMJNTTQ-UHFFFAOYSA-N 0 0 444.535 4.992 50 0 IJAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(OC)c1 ZINC000008598636 562954365 /nfs/dbraw/zinc/95/43/65/562954365.db2.gz KJSMJFVYWHRZPH-UHFFFAOYSA-N 0 0 428.492 4.876 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1 ZINC000008599288 562954658 /nfs/dbraw/zinc/95/46/58/562954658.db2.gz DNPRKSYHGAFBTA-HXUWFJFHSA-N 0 0 433.982 4.584 50 0 IJAARN CCOC(=O)c1ccc(OC(=O)c2cn(-c3ccc(C)cc3)c(=O)c3ccccc23)cc1 ZINC000008600264 562954992 /nfs/dbraw/zinc/95/49/92/562954992.db2.gz NEHGNFUCJIMXEC-UHFFFAOYSA-N 0 0 427.456 4.695 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000008601452 562955372 /nfs/dbraw/zinc/95/53/72/562955372.db2.gz JYWXDRGKPAUGBN-HNNXBMFYSA-N 0 0 445.509 4.773 50 0 IJAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc(OC)c3OC)nc21 ZINC000008601621 562955465 /nfs/dbraw/zinc/95/54/65/562955465.db2.gz UBKSYABUCTZWGE-UHFFFAOYSA-N 0 0 449.532 4.873 50 0 IJAARN Cc1ccc(C(C)C)c(OCCSc2nc(-c3ccccc3F)nc3cc(=O)[nH]n32)c1 ZINC000008603084 562955944 /nfs/dbraw/zinc/95/59/44/562955944.db2.gz HAIYBSVMSGQCOC-UHFFFAOYSA-N 0 0 438.528 4.827 50 0 aggregator IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(OC)c2)cc1 ZINC000008608910 562957533 /nfs/dbraw/zinc/95/75/33/562957533.db2.gz ZCHNXOXJEZGAAC-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN CCCCOc1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000008609353 562957762 /nfs/dbraw/zinc/95/77/62/562957762.db2.gz KPLJIVOJRSMFKZ-UHFFFAOYSA-N 0 0 438.528 4.748 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000008613918 562959443 /nfs/dbraw/zinc/95/94/43/562959443.db2.gz AXDABZDDNYFOHI-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000008613959 562959504 /nfs/dbraw/zinc/95/95/04/562959504.db2.gz HOLLRSALFUPMKZ-UHFFFAOYSA-N 0 0 434.561 4.815 50 0 IJAARN Cc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)c3c(C)ccc(C)c3[nH]2)s1 ZINC000008617271 562959724 /nfs/dbraw/zinc/95/97/24/562959724.db2.gz UUOVQFAVDQIKPV-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN CC(C)(C)c1ccc(OCCSc2nc(-c3cccs3)nc3cc(=O)[nH]n32)cc1 ZINC000008673351 562961136 /nfs/dbraw/zinc/96/11/36/562961136.db2.gz BVTQKZFCIZZNRB-UHFFFAOYSA-N 0 0 426.567 4.615 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000008690704 562963243 /nfs/dbraw/zinc/96/32/43/562963243.db2.gz AYDCGXFUTQPEON-OAQYLSRUSA-N 0 0 428.579 4.531 50 0 aggregator IJAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000009465981 562971598 /nfs/dbraw/zinc/97/15/98/562971598.db2.gz IJNQLPFYDYWLQX-CLOONOSVSA-N 0 0 426.291 4.782 50 0 IJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000009494410 562972220 /nfs/dbraw/zinc/97/22/20/562972220.db2.gz ZRFUJOKSXSJEJW-UHFFFAOYSA-N 0 0 427.476 4.579 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1 ZINC000009591402 562973697 /nfs/dbraw/zinc/97/36/97/562973697.db2.gz QUYTWGPTUBKWKP-IBGZPJMESA-N 0 0 438.499 4.757 50 0 IJAARN CC1=Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2Sc2ccc(Br)cc21 ZINC000009608208 562974043 /nfs/dbraw/zinc/97/40/43/562974043.db2.gz AZKFHJJOCFLONG-OAHLLOKOSA-N 0 0 431.355 4.963 50 0 IJAARN Cn1c(SCC(=O)N(Cc2ccco2)Cc2ccccc2)nnc1-c1ccc(F)cc1 ZINC000010495491 562978715 /nfs/dbraw/zinc/97/87/15/562978715.db2.gz FBDBVBZPNSVMHC-UHFFFAOYSA-N 0 0 436.512 4.535 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000013000245 562983912 /nfs/dbraw/zinc/98/39/12/562983912.db2.gz CORUFPFUGSLWBI-UHFFFAOYSA-N 0 0 433.842 4.682 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCSc1ccc(F)cc1 ZINC000013012362 562984102 /nfs/dbraw/zinc/98/41/02/562984102.db2.gz KFVSPYPNAVAPFP-UHFFFAOYSA-N 0 0 428.451 4.814 50 0 IJAARN FC(F)Oc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)s2)Nc2ncnn21 ZINC000013123485 562984746 /nfs/dbraw/zinc/98/47/46/562984746.db2.gz QZZMMQOWOHYVHE-QWRGUYRKSA-N 0 0 427.274 4.850 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000015935184 563018480 /nfs/dbraw/zinc/01/84/80/563018480.db2.gz KASLQPZHDYINCI-UHFFFAOYSA-N 0 0 426.538 4.901 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182699 568616013 /nfs/dbraw/zinc/61/60/13/568616013.db2.gz JMUYSAXUESGRJN-MBSDFSHPSA-N 0 0 438.572 4.961 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)c(C)s2)cs1 ZINC000033308422 568616077 /nfs/dbraw/zinc/61/60/77/568616077.db2.gz IRQLAWOOMNRYGR-UHFFFAOYSA-N 0 0 432.514 4.986 50 0 IJAARN C[C@@H](c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1-c1ccccc1)N1CCCCC1 ZINC000104251407 568622439 /nfs/dbraw/zinc/62/24/39/568622439.db2.gz KDLVVMZJYHYMDN-DYXWJJEUSA-N 0 0 441.645 4.601 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000106090567 568624813 /nfs/dbraw/zinc/62/48/13/568624813.db2.gz UXSFFIBVFWPHET-JKSBSHDWSA-N 0 0 427.520 4.817 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000898599 568634756 /nfs/dbraw/zinc/63/47/56/568634756.db2.gz XFTIRRWXNOKSBH-UHFFFAOYSA-N 0 0 444.560 4.945 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)Nc1nccs1 ZINC000000917152 568636840 /nfs/dbraw/zinc/63/68/40/568636840.db2.gz QNRRPUGBSOLOQW-UHFFFAOYSA-N 0 0 441.969 4.699 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1Br ZINC000000915437 568637036 /nfs/dbraw/zinc/63/70/36/568637036.db2.gz PGSKPNBHMBZIKJ-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)nc12 ZINC000000936140 568638789 /nfs/dbraw/zinc/63/87/89/568638789.db2.gz YINKFRGHKLWFBF-UHFFFAOYSA-N 0 0 442.338 4.873 50 0 IJAARN O=C(c1c(F)cccc1F)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025144374 568640679 /nfs/dbraw/zinc/64/06/79/568640679.db2.gz AJQCRYAQBROEDM-UHFFFAOYSA-N 0 0 444.485 4.928 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccccc3)c2)n(-c2ccccc2OC)n1 ZINC000025145152 568640942 /nfs/dbraw/zinc/64/09/42/568640942.db2.gz IVWXGZHFTNACFI-UHFFFAOYSA-N 0 0 441.487 4.977 50 0 IJAARN CC(C)COC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000942580 568641962 /nfs/dbraw/zinc/64/19/62/568641962.db2.gz MOZJRSVHOHNSIA-UHFFFAOYSA-N 0 0 447.281 4.926 50 0 biogenic IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000086057223 568642448 /nfs/dbraw/zinc/64/24/48/568642448.db2.gz AKXSBGRTRYVLSX-IBGZPJMESA-N 0 0 435.549 4.634 50 0 IJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[nH]c(=O)c21 ZINC000086057130 568642496 /nfs/dbraw/zinc/64/24/96/568642496.db2.gz DZDBBZKAQHOVJI-SFHVURJKSA-N 0 0 435.549 4.634 50 0 IJAARN CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 ZINC000086057504 568642686 /nfs/dbraw/zinc/64/26/86/568642686.db2.gz SJDCIVJQDXWSSJ-QGZVFWFLSA-N 0 0 441.940 4.588 50 0 IJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(OC)c(OC)c1 ZINC000000951947 568645466 /nfs/dbraw/zinc/64/54/66/568645466.db2.gz QNUZDQZKKGQUSS-UHFFFAOYSA-N 0 0 431.286 4.935 50 0 IJAARN Cc1nn(-c2nnc3c4cc(Br)ccc4[nH]c3n2)c(C)c1Cc1ccccc1 ZINC000000975803 568648052 /nfs/dbraw/zinc/64/80/52/568648052.db2.gz NJBIOEQXUVTFAA-UHFFFAOYSA-N 0 0 433.313 4.662 50 0 IJAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000976927 568648072 /nfs/dbraw/zinc/64/80/72/568648072.db2.gz NTFLOJLWROCARQ-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(I)cc1 ZINC000000989433 568649081 /nfs/dbraw/zinc/64/90/81/568649081.db2.gz CWIJMXCRPKYNCO-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000000993911 568649303 /nfs/dbraw/zinc/64/93/03/568649303.db2.gz UISBMTCINBGDTO-HYARGMPZSA-N 0 0 442.471 4.577 50 0 IJAARN Cc1sc2ncnc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)c2c1C ZINC000001004581 568651008 /nfs/dbraw/zinc/65/10/08/568651008.db2.gz AZGLAGAZBALYNQ-MRXNPFEDSA-N 0 0 429.542 4.761 50 0 IJAARN Cc1ccc(CN(C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)C2CC2)cc1 ZINC000025292947 568651934 /nfs/dbraw/zinc/65/19/34/568651934.db2.gz TXMPKBOVRBWWNO-UHFFFAOYSA-N 0 0 426.516 4.716 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccccc2)C1=O ZINC000001016195 568652045 /nfs/dbraw/zinc/65/20/45/568652045.db2.gz LYYPYYFGEXHAKV-ZHZULCJRSA-N 0 0 431.517 4.769 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1OC ZINC000025472563 568659272 /nfs/dbraw/zinc/65/92/72/568659272.db2.gz MRRUCUHNHCGSMI-UHFFFAOYSA-N 0 0 439.281 4.596 50 0 IJAARN C[C@@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257357942 568731624 /nfs/dbraw/zinc/73/16/24/568731624.db2.gz QVZULXNXCIFMTL-GVMOLONSSA-N 0 0 430.629 4.973 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357538 568731631 /nfs/dbraw/zinc/73/16/31/568731631.db2.gz ORXKASWXOVPKDV-NTWIFUSDSA-N 0 0 430.629 4.685 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc5c(cc(C)cc5C)n4c3=O)o2)cc1 ZINC000015224284 568732804 /nfs/dbraw/zinc/73/28/04/568732804.db2.gz GIATTXCBBBFBLM-FYJGNVAPSA-N 0 0 444.512 4.510 50 0 IJAARN CC(=O)CSC1=N/C(=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)N1 ZINC000263639975 568737408 /nfs/dbraw/zinc/73/74/08/568737408.db2.gz QRSUJYHWZUGQMH-GIDUJCDVSA-N 0 0 439.846 4.570 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCCC(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000005830233 568737771 /nfs/dbraw/zinc/73/77/71/568737771.db2.gz WCJSQYATMBZVJM-YLJYHZDGSA-N 0 0 430.618 4.959 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(C)o1 ZINC000002101462 568742795 /nfs/dbraw/zinc/74/27/95/568742795.db2.gz WBRVZVFZQZCSFX-UHFFFAOYSA-N 0 0 426.494 4.948 50 0 IJAARN Cc1ccc(C(=O)[C@@H](OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c2ccc(C)cc2)cc1 ZINC000003307521 568745628 /nfs/dbraw/zinc/74/56/28/568745628.db2.gz AUYHPVFMYIUIGB-SANMLTNESA-N 0 0 440.499 4.640 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000003344722 568746504 /nfs/dbraw/zinc/74/65/04/568746504.db2.gz KRRMPYZXTPRVPU-UHFFFAOYSA-N 0 0 433.414 4.613 50 0 IJAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)C(=O)c1ccccc1 ZINC000003338853 568746557 /nfs/dbraw/zinc/74/65/57/568746557.db2.gz UOHTXPHALYYYSZ-HNNXBMFYSA-N 0 0 443.908 4.569 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 ZINC000044087034 568748142 /nfs/dbraw/zinc/74/81/42/568748142.db2.gz UZENEQVNDOHRGB-UHFFFAOYSA-N 0 0 440.525 4.874 50 0 IJAARN CCc1ccc(-c2noc(Cn3ccn4nc(-c5cccc6ccccc65)cc4c3=O)n2)cc1 ZINC000044166523 568749279 /nfs/dbraw/zinc/74/92/79/568749279.db2.gz CBOHMJVTMOARKU-UHFFFAOYSA-N 0 0 447.498 4.977 50 0 IJAARN NC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3cccc(F)c3)cc21 ZINC000044167088 568749295 /nfs/dbraw/zinc/74/92/95/568749295.db2.gz GCVITVBAYNXIQW-UHFFFAOYSA-N 0 0 449.869 4.811 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000003643808 568752370 /nfs/dbraw/zinc/75/23/70/568752370.db2.gz VRTKPDARRZKTMM-GOSISDBHSA-N 0 0 433.489 4.526 50 0 IJAARN O=C(Nc1nc2ccc(Cl)cc2s1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000044443331 568752487 /nfs/dbraw/zinc/75/24/87/568752487.db2.gz FWILJMLCARUIKA-UHFFFAOYSA-N 0 0 425.945 4.677 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000003643868 568752676 /nfs/dbraw/zinc/75/26/76/568752676.db2.gz NFNNPHFEMLLELE-IBGZPJMESA-N 0 0 447.516 4.916 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@@H]1CCCO1 ZINC000012615997 568755016 /nfs/dbraw/zinc/75/50/16/568755016.db2.gz RYJOQZACRIBQMT-NRFANRHFSA-N 0 0 435.593 4.749 50 0 IJAARN COc1cc(-c2cc(OC)c(Br)cc2OC)c(OC)cc1Br ZINC000000707808 568774469 /nfs/dbraw/zinc/77/44/69/568774469.db2.gz STGQFNXNKBUBOA-UHFFFAOYSA-N 0 0 432.108 4.913 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(F)cc1 ZINC000001320602 568779887 /nfs/dbraw/zinc/77/98/87/568779887.db2.gz BDTLTPVDYRCJFJ-HSZRJFAPSA-N 0 0 427.834 4.626 50 0 IJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001327457 568780004 /nfs/dbraw/zinc/78/00/04/568780004.db2.gz XNBRMAGSHDNXNM-UHFFFAOYSA-N 0 0 426.485 4.883 50 0 IJAARN CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1cnn3-c1nc3ccccc3s1)C(=O)N2 ZINC000032100385 568780488 /nfs/dbraw/zinc/78/04/88/568780488.db2.gz KEMSYQAHGAHVIS-HSZRJFAPSA-N 0 0 429.505 4.835 50 0 IJAARN Cc1nc(NC(=O)c2ccc(Br)o2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032103283 568780783 /nfs/dbraw/zinc/78/07/83/568780783.db2.gz IREZYZYRIFBRJH-UHFFFAOYSA-N 0 0 449.261 4.915 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000004132967 568781220 /nfs/dbraw/zinc/78/12/20/568781220.db2.gz VUQJVEVIOSKOOT-ZRDDSIGQSA-N 0 0 448.291 4.729 50 0 IJAARN O=C(NCCSc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000004163888 568783068 /nfs/dbraw/zinc/78/30/68/568783068.db2.gz JPYVZGJZYUUYEU-VWLOTQADSA-N 0 0 448.613 4.983 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000083867808 568784072 /nfs/dbraw/zinc/78/40/72/568784072.db2.gz NRGIFVRTUPFGMT-UHFFFAOYSA-N 0 0 428.867 4.824 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000001394034 568785526 /nfs/dbraw/zinc/78/55/26/568785526.db2.gz KWPLVASISHFFMK-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN COc1ccc([C@H]2CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)C2)cc1 ZINC000083943976 568786531 /nfs/dbraw/zinc/78/65/31/568786531.db2.gz JEXYKSNKTBDUGT-NRFANRHFSA-N 0 0 448.588 4.890 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@@]2(C)CSc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000001410586 568788047 /nfs/dbraw/zinc/78/80/47/568788047.db2.gz DFVRNHWXBKEGLK-AREMUKBSSA-N 0 0 445.588 4.898 50 0 IJAARN COc1ccc(NC(=O)[C@@H](c2cccs2)N(Cc2ccc(C)cc2)C(C)=O)c(OC)c1 ZINC000001413080 568789971 /nfs/dbraw/zinc/78/99/71/568789971.db2.gz BILLWRNDBZSTNE-HSZRJFAPSA-N 0 0 438.549 4.802 50 0 IJAARN COc1ccccc1Cc1cc(Nc2ccccc2OC)n(C(=O)c2ccccc2OC)n1 ZINC000001414062 568790429 /nfs/dbraw/zinc/79/04/29/568790429.db2.gz LXRNBAIKMKXRQH-UHFFFAOYSA-N 0 0 443.503 4.932 50 0 IJAARN Cc1ccc(-n2cc(C(=O)NC[C@H](O)c3ccc(OC(F)F)cc3)c(C(C)(C)C)n2)cc1 ZINC000084177496 568795652 /nfs/dbraw/zinc/79/56/52/568795652.db2.gz ZHXNNVYFNKVFKR-FQEVSTJZSA-N 0 0 443.494 4.543 50 0 IJAARN O=C(Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1)N1CCC[C@@H](CO)C1 ZINC000084421771 568797874 /nfs/dbraw/zinc/79/78/74/568797874.db2.gz FYOBZLSBJCALJA-CYBMUJFWSA-N 0 0 446.370 4.962 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000084647536 568799479 /nfs/dbraw/zinc/79/94/79/568799479.db2.gz VVGAYPFVRLSYDI-UZLBHIALSA-N 0 0 428.529 4.537 50 0 IJAARN Cc1c(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000015627864 568800266 /nfs/dbraw/zinc/80/02/66/568800266.db2.gz OJQRLMAQCHZOPT-UHFFFAOYSA-N 0 0 436.515 4.740 50 0 IJAARN O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000015679099 568805325 /nfs/dbraw/zinc/80/53/25/568805325.db2.gz UCDZNQNUDBORDH-UHFFFAOYSA-N 0 0 436.506 4.517 50 0 IJAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N(Cc3cccs3)C3CCCC3)ccc2S1 ZINC000015730914 568814486 /nfs/dbraw/zinc/81/44/86/568814486.db2.gz FFIFZKOPHUHZPI-CQSZACIVSA-N 0 0 436.624 4.704 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)Nc1ccc(C)cc1C)CCS2 ZINC000015776105 568823446 /nfs/dbraw/zinc/82/34/46/568823446.db2.gz ZDJORHPNEGHKKX-UHFFFAOYSA-N 0 0 434.565 4.655 50 0 IJAARN CCOc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000013750838 568828508 /nfs/dbraw/zinc/82/85/08/568828508.db2.gz MUXATVDWXKNNEM-UHFFFAOYSA-N 0 0 446.528 4.768 50 0 IJAARN COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015786065 568834354 /nfs/dbraw/zinc/83/43/54/568834354.db2.gz RHSBIWOEXNLUPF-UHFFFAOYSA-N 0 0 434.418 4.868 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)COc2ccc(OC)cc2)C2CCCCC2)c1C ZINC000085711403 568835000 /nfs/dbraw/zinc/83/50/00/568835000.db2.gz USEZDVQFKXKHNF-UHFFFAOYSA-N 0 0 442.556 4.557 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)c1C ZINC000085711236 568835024 /nfs/dbraw/zinc/83/50/24/568835024.db2.gz XBJRUJFSZVLLCP-UHFFFAOYSA-N 0 0 426.538 4.721 50 0 IJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000001120970 568836650 /nfs/dbraw/zinc/83/66/50/568836650.db2.gz FEYJMVOVKJGYEV-CQSZACIVSA-N 0 0 442.512 4.695 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000015796834 568839009 /nfs/dbraw/zinc/83/90/09/568839009.db2.gz LAEQCPCQGSLNOC-RHSMWYFYSA-N 0 0 427.595 4.580 50 0 IJAARN COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2ccc(C)cc2)cc1=O ZINC000015824776 568840549 /nfs/dbraw/zinc/84/05/49/568840549.db2.gz OHNWNSOLGUTHCL-UHFFFAOYSA-N 0 0 428.941 4.750 50 0 IJAARN CCOc1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000015826594 568840766 /nfs/dbraw/zinc/84/07/66/568840766.db2.gz NINAOQGBRNNCNG-UHFFFAOYSA-N 0 0 426.469 4.560 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCC2)[C@H]1C ZINC000248175877 568850704 /nfs/dbraw/zinc/85/07/04/568850704.db2.gz ZCGVSAORKMFJKO-MOBZDKELSA-N 0 0 427.614 4.801 50 0 IJAARN CCOc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3nnnc3N2)cc1Cl ZINC000015866391 568850757 /nfs/dbraw/zinc/85/07/57/568850757.db2.gz ANZATPZEYWOANC-JKSUJKDBSA-N 0 0 434.725 4.634 50 0 IJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000015870360 568851762 /nfs/dbraw/zinc/85/17/62/568851762.db2.gz LINFTQYRUXDKPD-UHFFFAOYSA-N 0 0 443.472 4.855 50 0 IJAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nc2ccccc21 ZINC000015870578 568851945 /nfs/dbraw/zinc/85/19/45/568851945.db2.gz NFVOFCDBYVIWNL-UHFFFAOYSA-N 0 0 435.549 4.651 50 0 IJAARN COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000015880728 568854299 /nfs/dbraw/zinc/85/42/99/568854299.db2.gz XLEGPVFYWOKULV-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN COc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c(OC)c1 ZINC000015881569 568855364 /nfs/dbraw/zinc/85/53/64/568855364.db2.gz OFCJKGWVTBKGSY-UHFFFAOYSA-N 0 0 434.496 4.546 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccc(Cl)c1 ZINC000015882147 568856500 /nfs/dbraw/zinc/85/65/00/568856500.db2.gz KGHIOACFPTUPKJ-UHFFFAOYSA-N 0 0 442.972 4.978 50 0 IJAARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 ZINC000015911488 568858454 /nfs/dbraw/zinc/85/84/54/568858454.db2.gz FWSNLONTLHOSQL-UHFFFAOYSA-N 0 0 447.553 4.906 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000015922062 568858714 /nfs/dbraw/zinc/85/87/14/568858714.db2.gz SOJFRDFHQKUHEE-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012938496 568867574 /nfs/dbraw/zinc/86/75/74/568867574.db2.gz LWCFMZYLQNGGPO-HSZRJFAPSA-N 0 0 429.545 4.805 50 0 IJAARN COC[C@H](C)N(C(=O)CSc1nc2ccccc2[nH]1)c1c(C)cccc1[C@@H](C)OC ZINC000575442890 568867869 /nfs/dbraw/zinc/86/78/69/568867869.db2.gz GAPMTSWUMXOZBC-DLBZAZTESA-N 0 0 427.570 4.739 50 0 IJAARN O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000016048000 568869308 /nfs/dbraw/zinc/86/93/08/568869308.db2.gz YNGPYRJGNJSTIA-UHFFFAOYSA-N 0 0 448.327 4.637 50 0 IJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc2)o1 ZINC000012941804 568870153 /nfs/dbraw/zinc/87/01/53/568870153.db2.gz YYXVPQWVYQJINK-FQEVSTJZSA-N 0 0 441.487 4.624 50 0 IJAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1Br ZINC000012943219 568870239 /nfs/dbraw/zinc/87/02/39/568870239.db2.gz CCKSXHXSPCCOLD-UHFFFAOYSA-N 0 0 431.311 4.768 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1C ZINC000012948612 568871578 /nfs/dbraw/zinc/87/15/78/568871578.db2.gz XRWVMIJWQJXGCU-NSHDSACASA-N 0 0 425.710 4.775 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)Nc3ccc(Cl)cc3)C(C)C)n2)cc1OC ZINC000006190536 568874944 /nfs/dbraw/zinc/87/49/44/568874944.db2.gz LPRWXAUILCODBX-UHFFFAOYSA-N 0 0 430.892 4.850 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263166 568875182 /nfs/dbraw/zinc/87/51/82/568875182.db2.gz GBQNPACOWFYEMK-IBGZPJMESA-N 0 0 438.940 4.725 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2-c2nc(-c3cc(OC)cc(OC)c3)no2)cc1Cl ZINC000575605484 568878041 /nfs/dbraw/zinc/87/80/41/568878041.db2.gz AJMWBFCNFWZGIX-UHFFFAOYSA-N 0 0 426.860 4.863 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Cc1ccccc1 ZINC000035352040 568880515 /nfs/dbraw/zinc/88/05/15/568880515.db2.gz ODIMEWABTORWFE-UHFFFAOYSA-N 0 0 432.564 4.641 50 0 IJAARN Cc1nc(-c2ccco2)sc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000090593515 568889000 /nfs/dbraw/zinc/88/90/00/568889000.db2.gz LTTUWQBKUKNOQQ-UHFFFAOYSA-N 0 0 436.864 4.862 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1nc(-c2cccs2)cn1C ZINC000090606972 568889754 /nfs/dbraw/zinc/88/97/54/568889754.db2.gz KEMXDQXIBXACBB-UHFFFAOYSA-N 0 0 426.929 4.738 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CCC(CSC2=NCCS2)CC1 ZINC000090608306 568891144 /nfs/dbraw/zinc/89/11/44/568891144.db2.gz RSFJMUZGWNHUSF-UHFFFAOYSA-N 0 0 433.824 4.791 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSC2=NCCS2)CC1 ZINC000090608319 568891190 /nfs/dbraw/zinc/89/11/90/568891190.db2.gz VTWVAUKDHAGVOX-UHFFFAOYSA-N 0 0 436.002 4.992 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)C1CCCCC1)CC2 ZINC000006381149 568893591 /nfs/dbraw/zinc/89/35/91/568893591.db2.gz FAMWCOXROJWONB-JOCHJYFZSA-N 0 0 427.516 4.928 50 0 IJAARN COc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c32)cc1OC ZINC000071328178 568897189 /nfs/dbraw/zinc/89/71/89/568897189.db2.gz HBBAQKBODGZNKD-UHFFFAOYSA-N 0 0 438.484 4.512 50 0 IJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000013008451 568899497 /nfs/dbraw/zinc/89/94/97/568899497.db2.gz BVISHDWEEJTNOE-YQQQUEKLSA-N 0 0 440.634 4.849 50 0 IJAARN CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)NCC ZINC000016436720 568900450 /nfs/dbraw/zinc/90/04/50/568900450.db2.gz WHYTYCODVGBIOO-UHFFFAOYSA-N 0 0 441.620 4.947 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000013012374 568901264 /nfs/dbraw/zinc/90/12/64/568901264.db2.gz IPOJFBJGCSLXRZ-UHFFFAOYSA-N 0 0 436.339 4.689 50 0 IJAARN COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc(Cl)c1OC(C)C ZINC000013063504 568908746 /nfs/dbraw/zinc/90/87/46/568908746.db2.gz JQOXLZZPZRKNRZ-DHZHZOJOSA-N 0 0 430.932 4.555 50 0 IJAARN CC[C@H](C)N1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245255836 568913807 /nfs/dbraw/zinc/91/38/07/568913807.db2.gz LQKZKLFCIIATAJ-RMSGMNIRSA-N 0 0 448.950 4.597 50 0 IJAARN O=C(CSc1nc2ccccc2[nH]1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000026847512 568918005 /nfs/dbraw/zinc/91/80/05/568918005.db2.gz UNYLLKYYSNQTGK-UHFFFAOYSA-N 0 0 439.928 4.550 50 0 IJAARN O=C(CN(CC1CC1)C(=O)c1cccc(F)c1)N(Cc1cccs1)Cc1ccccc1 ZINC000035795204 568923104 /nfs/dbraw/zinc/92/31/04/568923104.db2.gz DMJVXKSNNHBRGL-UHFFFAOYSA-N 0 0 436.552 4.968 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000035794583 568923135 /nfs/dbraw/zinc/92/31/35/568923135.db2.gz ZNJMHJQVQBYTKX-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)c1 ZINC000001953698 568923783 /nfs/dbraw/zinc/92/37/83/568923783.db2.gz NKQOIEKEPPYRBR-UHFFFAOYSA-N 0 0 437.927 4.811 50 0 IJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc2)C(C(=O)OC)=C1C ZINC000016609308 568925728 /nfs/dbraw/zinc/92/57/28/568925728.db2.gz DAVPIZHDEMFZMU-QVKFZJNVSA-N 0 0 445.629 4.786 50 0 IJAARN CS(=O)(=O)c1cccc(NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)c1 ZINC000089490200 568926738 /nfs/dbraw/zinc/92/67/38/568926738.db2.gz HNDGKJIHTMADET-UHFFFAOYSA-N 0 0 437.304 4.837 50 0 IJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)cc1OC ZINC000064459714 568929342 /nfs/dbraw/zinc/92/93/42/568929342.db2.gz PBXWMHPBFRHSOK-CYBMUJFWSA-N 0 0 426.542 4.506 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)COCc1ccccc1 ZINC000016650353 568929489 /nfs/dbraw/zinc/92/94/89/568929489.db2.gz XVODIDQQTAVXDO-UHFFFAOYSA-N 0 0 448.563 4.572 50 0 IJAARN CC(C)CCN1c2ccc(Br)cc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064201 568930616 /nfs/dbraw/zinc/93/06/16/568930616.db2.gz YXAHXKHOVJKSRZ-HSZRJFAPSA-N 0 0 438.369 4.712 50 0 biogenic IJAARN Cc1ccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c(Cl)c1 ZINC000064565916 568932645 /nfs/dbraw/zinc/93/26/45/568932645.db2.gz KXHSNFXZZNRJKJ-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN Cn1nc(COCc2ccccc2)c2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C2 ZINC000064565795 568932665 /nfs/dbraw/zinc/93/26/65/568932665.db2.gz JGYNKJSWOLKJBB-UHFFFAOYSA-N 0 0 428.895 4.520 50 0 IJAARN Cc1cccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccccc5Cl)o4)nn3C)C2)c1 ZINC000064566554 568933507 /nfs/dbraw/zinc/93/35/07/568933507.db2.gz UFXKNFKYAYVLSV-UHFFFAOYSA-N 0 0 448.914 4.689 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1 ZINC000064578412 568934243 /nfs/dbraw/zinc/93/42/43/568934243.db2.gz BRMVJVVCAZBRMD-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6cccc(C)c6)[C@H](C)C5)n3n2)CCC4)cc1 ZINC000064592843 568935645 /nfs/dbraw/zinc/93/56/45/568935645.db2.gz GNPMMDZMMIGGBT-HXUWFJFHSA-N 0 0 438.579 4.612 50 0 IJAARN Cc1ccc(Cl)cc1-n1ccn2c(SCc3c(F)cccc3Cl)nnc2c1=O ZINC000064593792 568936256 /nfs/dbraw/zinc/93/62/56/568936256.db2.gz JPULWGIAISSXJL-UHFFFAOYSA-N 0 0 435.311 4.927 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O ZINC000064605287 568939623 /nfs/dbraw/zinc/93/96/23/568939623.db2.gz VEIZLZCABPURON-QHCPKHFHSA-N 0 0 446.551 4.711 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)cc1 ZINC000064606086 568939817 /nfs/dbraw/zinc/93/98/17/568939817.db2.gz ANZQTXPANCXLRC-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064657007 568942333 /nfs/dbraw/zinc/94/23/33/568942333.db2.gz AAQCFRIUCKEFOM-SFHVURJKSA-N 0 0 427.547 4.762 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)cc1 ZINC000064666749 568942869 /nfs/dbraw/zinc/94/28/69/568942869.db2.gz XKEVDIGCZYYBFV-UHFFFAOYSA-N 0 0 446.528 4.987 50 0 IJAARN Cc1c(S(=O)(=O)NC2CCCCC2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668129 568943138 /nfs/dbraw/zinc/94/31/38/568943138.db2.gz MJAMPOVDTBSGGX-UHFFFAOYSA-N 0 0 433.574 4.874 50 0 IJAARN CC(C)CCn1c(SCC(=O)NC2CCCCC2)nc2c3cccnc3sc2c1=O ZINC000064699897 568944346 /nfs/dbraw/zinc/94/43/46/568944346.db2.gz OWVFRDWOXHWZIS-UHFFFAOYSA-N 0 0 444.626 4.593 50 0 IJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(C)cc2C)n1 ZINC000036068401 568945224 /nfs/dbraw/zinc/94/52/24/568945224.db2.gz BWVWNJLZMNOMCR-IBGZPJMESA-N 0 0 449.551 4.751 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NCCc3ccccn3)co2)Cc2ccccc2)cc1 ZINC000036072213 568945846 /nfs/dbraw/zinc/94/58/46/568945846.db2.gz YCICNKDAAWZBRM-UHFFFAOYSA-N 0 0 440.547 4.553 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073580 568946554 /nfs/dbraw/zinc/94/65/54/568946554.db2.gz DLWIZGRCPNFWCP-URXFXBBRSA-N 0 0 447.579 4.964 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083435 568947009 /nfs/dbraw/zinc/94/70/09/568947009.db2.gz QHVYWLFOIDLLJM-FQEVSTJZSA-N 0 0 449.334 4.976 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2F)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083760 568947429 /nfs/dbraw/zinc/94/74/29/568947429.db2.gz ROGKUXSXVSRZTN-QFIPXVFZSA-N 0 0 440.515 4.716 50 0 IJAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccc(F)cc1 ZINC000036106529 568953688 /nfs/dbraw/zinc/95/36/88/568953688.db2.gz NGCCPHTYPOLTLC-UHFFFAOYSA-N 0 0 428.529 4.849 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1)c1ccccc1 ZINC000064775706 568954907 /nfs/dbraw/zinc/95/49/07/568954907.db2.gz QXHOGHVURXXACV-OAQYLSRUSA-N 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CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150706 568963956 /nfs/dbraw/zinc/96/39/56/568963956.db2.gz IMXBCLVYALKACH-UHFFFAOYSA-N 0 0 433.552 4.753 50 0 IJAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCN(c2ccccn2)CC1 ZINC000064816518 568964191 /nfs/dbraw/zinc/96/41/91/568964191.db2.gz SZYZXEUOARNVBV-UHFFFAOYSA-N 0 0 436.968 4.767 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817254 568964459 /nfs/dbraw/zinc/96/44/59/568964459.db2.gz WZWTZDGGLPPWJZ-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3c(C)cc(C)cc3C)c(C)o2)cc1 ZINC000064817879 568964882 /nfs/dbraw/zinc/96/48/82/568964882.db2.gz BOQKULVYSQZDHU-UHFFFAOYSA-N 0 0 428.554 4.795 50 0 IJAARN O=C(c1ccc2c(c1)OCO2)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1 ZINC000036156457 568965214 /nfs/dbraw/zinc/96/52/14/568965214.db2.gz BMMJSXQWFXRVRW-UHFFFAOYSA-N 0 0 445.519 4.723 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819062 568965878 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COc1ccc(OC)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1 ZINC000065154004 569112242 /nfs/dbraw/zinc/11/22/42/569112242.db2.gz UCXIYATYXRVSRI-UHFFFAOYSA-N 0 0 430.439 4.614 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@@](O)(c4cccc(C)c4)C3=O)c(C)o2)cc1 ZINC000065154929 569112310 /nfs/dbraw/zinc/11/23/10/569112310.db2.gz RUGVVOWPDXJVOG-MHZLTWQESA-N 0 0 440.499 4.750 50 0 IJAARN COc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2ccccc2C(F)(F)F)C3)cc1 ZINC000065168849 569112697 /nfs/dbraw/zinc/11/26/97/569112697.db2.gz AQMNYXNZAYSGKN-UHFFFAOYSA-N 0 0 428.414 4.761 50 0 IJAARN CC(C)C(=O)NCCc1csc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3Cl)C2)n1 ZINC000065173534 569113379 /nfs/dbraw/zinc/11/33/79/569113379.db2.gz DLNNBCHFWPMVBU-QZEKMECESA-N 0 0 446.016 4.531 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3cccc(Cl)c3)cccn12 ZINC000065185272 569114262 /nfs/dbraw/zinc/11/42/62/569114262.db2.gz LLQAJYCDNKBSMW-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN COc1cccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)c1OC ZINC000065219029 569117402 /nfs/dbraw/zinc/11/74/02/569117402.db2.gz NZORCJMRSLXBJX-UHFFFAOYSA-N 0 0 425.441 4.874 50 0 IJAARN C[C@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccc(F)cc1 ZINC000065228033 569117616 /nfs/dbraw/zinc/11/76/16/569117616.db2.gz XSDVKHNNWZSWFD-LPHOPBHVSA-N 0 0 449.530 4.632 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000065228433 569117683 /nfs/dbraw/zinc/11/76/83/569117683.db2.gz OXSVDFAUMLFGRK-MRXNPFEDSA-N 0 0 426.398 4.797 50 0 IJAARN Cc1nc(-c2noc(-c3ccc(F)cc3)n2)cn1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000065250422 569122126 /nfs/dbraw/zinc/12/21/26/569122126.db2.gz YENCFGHKSXTRGB-UHFFFAOYSA-N 0 0 425.851 4.648 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000036616175 569122717 /nfs/dbraw/zinc/12/27/17/569122717.db2.gz ZGIVHSJFJGKSOB-HNNXBMFYSA-N 0 0 448.498 4.685 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccccc4)no3)c3cnn(C)c3n2)cc1 ZINC000036613225 569123666 /nfs/dbraw/zinc/12/36/66/569123666.db2.gz BSQWWXMEURWYOW-UHFFFAOYSA-N 0 0 425.448 4.551 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C)cc1Cl ZINC000065258417 569124478 /nfs/dbraw/zinc/12/44/78/569124478.db2.gz GIEDPRSRZIJPPM-UHFFFAOYSA-N 0 0 439.924 4.666 50 0 IJAARN CN1c2ccc(NC(=O)c3ccccc3Br)cc2Sc2ncccc2C1=O ZINC000065258340 569124497 /nfs/dbraw/zinc/12/44/97/569124497.db2.gz CLBKHLBFXWQXHD-UHFFFAOYSA-N 0 0 440.322 4.838 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c1 ZINC000065258597 569124539 /nfs/dbraw/zinc/12/45/39/569124539.db2.gz BROBPPFFJUDPSA-UHFFFAOYSA-N 0 0 433.533 4.927 50 0 IJAARN CCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c32)c(C)n1 ZINC000036619367 569124749 /nfs/dbraw/zinc/12/47/49/569124749.db2.gz JSVWJXYZKOPLOI-CQSZACIVSA-N 0 0 445.523 4.792 50 0 IJAARN Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013133979 569125518 /nfs/dbraw/zinc/12/55/18/569125518.db2.gz LBUSOGAUHXVFGP-UHFFFAOYSA-N 0 0 437.517 4.628 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CCn1c2nn(C(C)C)cc2c(C(F)(F)F)cc1=O ZINC000036621447 569126172 /nfs/dbraw/zinc/12/61/72/569126172.db2.gz NXECWCNQJGEXLC-UHFFFAOYSA-N 0 0 440.853 4.788 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)sc12 ZINC000065296936 569131623 /nfs/dbraw/zinc/13/16/23/569131623.db2.gz BAORETKGNXGKMO-UHFFFAOYSA-N 0 0 449.555 4.509 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3C)no2)cc1OCC ZINC000065320360 569136145 /nfs/dbraw/zinc/13/61/45/569136145.db2.gz AZKGFQIJOPJCJH-HXUWFJFHSA-N 0 0 435.524 4.749 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065320853 569136351 /nfs/dbraw/zinc/13/63/51/569136351.db2.gz ZDCIZVGTQRIDAH-FQEVSTJZSA-N 0 0 429.517 4.600 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000065320900 569136380 /nfs/dbraw/zinc/13/63/80/569136380.db2.gz GLGQXHOLRWYZJV-SFHVURJKSA-N 0 0 431.945 4.841 50 0 IJAARN Cc1c(Br)cccc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000238941114 569138133 /nfs/dbraw/zinc/13/81/33/569138133.db2.gz VZSCUXHVCOTUCB-UHFFFAOYSA-N 0 0 425.710 4.616 50 0 IJAARN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000065513519 569139066 /nfs/dbraw/zinc/13/90/66/569139066.db2.gz ICEZTJHYMRJBET-FQEVSTJZSA-N 0 0 443.469 4.937 50 0 IJAARN C[C@H]1CN(c2ccc(NC(=O)N3CCC(c4ccc(O)cc4)CC3)cc2F)C[C@H](C)O1 ZINC000065515523 569139072 /nfs/dbraw/zinc/13/90/72/569139072.db2.gz AMWRHPUUTHJYOC-IRXDYDNUSA-N 0 0 427.520 4.556 50 0 IJAARN O=C(CCC(=O)OCc1cn2cc(Cl)cc(Cl)c2n1)CCC(=O)c1cccs1 ZINC000065562862 569139289 /nfs/dbraw/zinc/13/92/89/569139289.db2.gz MKZGYUFWELEHMT-UHFFFAOYSA-N 0 0 439.320 4.758 50 0 IJAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000170601854 569143124 /nfs/dbraw/zinc/14/31/24/569143124.db2.gz HAKSHBZEMGEVKP-UHFFFAOYSA-N 0 0 446.016 4.647 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000170603885 569143707 /nfs/dbraw/zinc/14/37/07/569143707.db2.gz VIWJLGSAESKZMJ-UHFFFAOYSA-N 0 0 437.499 4.696 50 0 IJAARN CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000037276816 569145382 /nfs/dbraw/zinc/14/53/82/569145382.db2.gz YMHGNHVAHSTBES-KRWDZBQOSA-N 0 0 427.976 4.513 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037280736 569145991 /nfs/dbraw/zinc/14/59/91/569145991.db2.gz BPVVKCKPUDUMJC-RSXGOPAZSA-N 0 0 436.596 4.890 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000037281058 569146006 /nfs/dbraw/zinc/14/60/06/569146006.db2.gz YNXNXGWCDRHQSE-UIOOFZCWSA-N 0 0 446.591 4.563 50 0 IJAARN O=C(COc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)Nc1ccccc1 ZINC000037281395 569146141 /nfs/dbraw/zinc/14/61/41/569146141.db2.gz VVRRJFXLYOUCLK-SANMLTNESA-N 0 0 444.506 4.727 50 0 IJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037281353 569146164 /nfs/dbraw/zinc/14/61/64/569146164.db2.gz BOEMCJXXJWMOCY-PKTZIBPZSA-N 0 0 440.559 4.639 50 0 IJAARN Cc1ccc2c(CSc3nnc(-c4ccncc4)n3CC(F)(F)F)ccc(O)c2n1 ZINC000170613012 569146170 /nfs/dbraw/zinc/14/61/70/569146170.db2.gz AXFZYHSUOBIDGA-UHFFFAOYSA-N 0 0 431.443 4.757 50 0 IJAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000170618701 569147143 /nfs/dbraw/zinc/14/71/43/569147143.db2.gz NULNGZVKBUOTJF-HXUWFJFHSA-N 0 0 442.466 4.504 50 0 IJAARN C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000170621152 569147628 /nfs/dbraw/zinc/14/76/28/569147628.db2.gz OTKQWHRVLRDVQE-CQSZACIVSA-N 0 0 431.330 4.660 50 0 IJAARN O=C(Oc1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000170624918 569148128 /nfs/dbraw/zinc/14/81/28/569148128.db2.gz RIJQGLZELKUMSE-ZWKOTPCHSA-N 0 0 433.335 4.830 50 0 IJAARN O=c1[nH]c2c(s1)[C@H]1c3cc(Br)ccc3OC(=O)[C@H]1[C@@H](c1ccccc1)S2 ZINC000170623189 569148216 /nfs/dbraw/zinc/14/82/16/569148216.db2.gz WZXSHYSANSVRRC-RRFJBIMHSA-N 0 0 446.347 4.713 50 0 IJAARN O=C(c1ccc(N2CCCCCC2)nc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000170623578 569148282 /nfs/dbraw/zinc/14/82/82/569148282.db2.gz ZUSWTWGLBNODBY-QHCPKHFHSA-N 0 0 427.976 4.701 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(S[C@@H](C)C(=O)c3ccc(F)cc3)s2)o1 ZINC000009882196 569149541 /nfs/dbraw/zinc/14/95/41/569149541.db2.gz UHGJBGPJTXPJEU-JTQLQIEISA-N 0 0 438.527 4.713 50 0 IJAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cccc4c3ccn4CCC(C)C)n2)c1 ZINC000071285440 569150924 /nfs/dbraw/zinc/15/09/24/569150924.db2.gz WVBQMFMSTWSDGR-UHFFFAOYSA-N 0 0 444.535 4.558 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)c1 ZINC000009954309 569151009 /nfs/dbraw/zinc/15/10/09/569151009.db2.gz AXSLOHXOZVZJIZ-QHCPKHFHSA-N 0 0 436.508 4.865 50 0 IJAARN CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1CCOC)C(=O)Nc1ccc(F)cc1 ZINC000010029716 569151959 /nfs/dbraw/zinc/15/19/59/569151959.db2.gz KESZCWXAXBDYGG-SFHVURJKSA-N 0 0 448.951 4.893 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(OC)c2)cc1 ZINC000010060279 569152453 /nfs/dbraw/zinc/15/24/53/569152453.db2.gz SRSAVJRSYQEHDA-BJKOFHAPSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000010119418 569152679 /nfs/dbraw/zinc/15/26/79/569152679.db2.gz UWGBRUONJDKASA-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000010220646 569152914 /nfs/dbraw/zinc/15/29/14/569152914.db2.gz ZXRFAPLRYBQEIP-UHFFFAOYSA-N 0 0 427.353 4.809 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000010218272 569153480 /nfs/dbraw/zinc/15/34/80/569153480.db2.gz WYJCNRFMRNBCDH-UHFFFAOYSA-N 0 0 426.972 4.718 50 0 IJAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000010218555 569153503 /nfs/dbraw/zinc/15/35/03/569153503.db2.gz YCARPPJTBWBPDJ-UHFFFAOYSA-N 0 0 434.517 4.996 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000010218955 569153587 /nfs/dbraw/zinc/15/35/87/569153587.db2.gz YUCKGZHJCVKTFG-UHFFFAOYSA-N 0 0 437.496 4.562 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000010255584 569154066 /nfs/dbraw/zinc/15/40/66/569154066.db2.gz PZRPQPQHWNXWTD-UHFFFAOYSA-N 0 0 434.492 4.754 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)CCc3ccccc3)nc21 ZINC000010254349 569154219 /nfs/dbraw/zinc/15/42/19/569154219.db2.gz UDKORNKFMGBJRG-UHFFFAOYSA-N 0 0 433.533 4.875 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccc4cccnc43)nc2n1 ZINC000014517091 569159274 /nfs/dbraw/zinc/15/92/74/569159274.db2.gz FOYHWPQEYUPRJX-UHFFFAOYSA-N 0 0 440.532 4.834 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014610104 569159553 /nfs/dbraw/zinc/15/95/53/569159553.db2.gz YCGLXSUZNXIGSB-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(O)cc3)CC2)cc1Cl ZINC000089643343 569160387 /nfs/dbraw/zinc/16/03/87/569160387.db2.gz TVWRRBRPEAFQQR-XMMPIXPASA-N 0 0 435.955 4.856 50 0 IJAARN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cccc4ccc(C)nc43)cc2)cc1 ZINC000016730130 569160546 /nfs/dbraw/zinc/16/05/46/569160546.db2.gz GFWDHDAJSZYDIM-UHFFFAOYSA-N 0 0 432.501 4.936 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccccc2)cc1OC ZINC000089669250 569161100 /nfs/dbraw/zinc/16/11/00/569161100.db2.gz FEEAWBGEJYOPLG-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN COCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)oc1C ZINC000016840554 569163069 /nfs/dbraw/zinc/16/30/69/569163069.db2.gz OGVOKKBVIWBNLG-UHFFFAOYSA-N 0 0 441.940 4.952 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891097 569165602 /nfs/dbraw/zinc/16/56/02/569165602.db2.gz WOVOTASTWRZPLK-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCCC[C@H]1CCc1ccccc1 ZINC000089830457 569165622 /nfs/dbraw/zinc/16/56/22/569165622.db2.gz NHOCADCXWURMPC-QFIPXVFZSA-N 0 0 433.577 4.952 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000089858352 569165887 /nfs/dbraw/zinc/16/58/87/569165887.db2.gz GVXCRWBFTJNZAN-QFIPXVFZSA-N 0 0 440.952 4.948 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000016969521 569168566 /nfs/dbraw/zinc/16/85/66/569168566.db2.gz OUCBXFFZBDSXKM-UHFFFAOYSA-N 0 0 440.565 4.651 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)ncn1 ZINC000037356075 569171226 /nfs/dbraw/zinc/17/12/26/569171226.db2.gz ZGWVRDNSPJNTPR-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000017043613 569171600 /nfs/dbraw/zinc/17/16/00/569171600.db2.gz ZIOUPGLLHMZKPL-UHFFFAOYSA-N 0 0 426.972 4.636 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000017043619 569171658 /nfs/dbraw/zinc/17/16/58/569171658.db2.gz OLHPAOCOXHLPOF-UHFFFAOYSA-N 0 0 443.575 4.531 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)/C=C/c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000017051084 569171925 /nfs/dbraw/zinc/17/19/25/569171925.db2.gz URLATIOFMHOZPD-DTQAZKPQSA-N 0 0 438.549 4.707 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)CCC4CCCC4)CC3)ncn2)ccc1Cl ZINC000037356750 569172706 /nfs/dbraw/zinc/17/27/06/569172706.db2.gz QGOLRLBQUFNNTM-UHFFFAOYSA-N 0 0 428.964 4.850 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000017120526 569174137 /nfs/dbraw/zinc/17/41/37/569174137.db2.gz BTIHERULCQAIMC-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000017150027 569175024 /nfs/dbraw/zinc/17/50/24/569175024.db2.gz JECQCNPJSVYWGJ-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc(Br)o1 ZINC000017169947 569175405 /nfs/dbraw/zinc/17/54/05/569175405.db2.gz RAJIFTPLNKXXAN-UHFFFAOYSA-N 0 0 431.311 4.949 50 0 IJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 ZINC000001123775 569176832 /nfs/dbraw/zinc/17/68/32/569176832.db2.gz NEEQKVFQGFNQDG-HNNXBMFYSA-N 0 0 443.569 4.594 50 0 IJAARN Cc1cccc(-n2nc3nc(NC[C@H]4CCCO4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037359509 569177380 /nfs/dbraw/zinc/17/73/80/569177380.db2.gz ZRJGEVAMTIKZEU-GOSISDBHSA-N 0 0 434.931 4.617 50 0 IJAARN O=C1CN(CCC2=CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002092609 569178819 /nfs/dbraw/zinc/17/88/19/569178819.db2.gz KXGJTPOHAWXRTK-RPLLCQBOSA-N 0 0 439.559 4.743 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCC)NC(=O)OCc3ccccc3)ccc12 ZINC000002094139 569179070 /nfs/dbraw/zinc/17/90/70/569179070.db2.gz NWCRLYNIIHXQJX-OAQYLSRUSA-N 0 0 437.492 4.746 50 0 biogenic IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002098793 569179448 /nfs/dbraw/zinc/17/94/48/569179448.db2.gz FALMIRZKFPINQZ-UKILVPOCSA-N 0 0 437.499 4.655 50 0 biogenic IJAARN CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CC)CCCC4)cc1 ZINC000002384427 569180783 /nfs/dbraw/zinc/18/07/83/569180783.db2.gz AFYKBHUIZDQNBF-UHFFFAOYSA-N 0 0 427.595 4.650 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccnc1 ZINC000002366741 569180796 /nfs/dbraw/zinc/18/07/96/569180796.db2.gz JOHRAESXSLOVMC-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN COCCNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037360964 569181601 /nfs/dbraw/zinc/18/16/01/569181601.db2.gz CLUDZXWVSCPBAF-UHFFFAOYSA-N 0 0 447.301 4.569 50 0 IJAARN COc1ccc(OC)c(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000252499445 569188113 /nfs/dbraw/zinc/18/81/13/569188113.db2.gz SARXMECLSKCADA-HSZRJFAPSA-N 0 0 436.533 4.552 50 0 IJAARN CCCCCCOc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000002191661 569190610 /nfs/dbraw/zinc/19/06/10/569190610.db2.gz RUHVLJLMHFGWBH-UHFFFAOYSA-N 0 0 438.549 4.946 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N(CCC(=O)NC(C)C)Cc3ccco3)n2)cc1 ZINC000037384481 569192145 /nfs/dbraw/zinc/19/21/45/569192145.db2.gz OXQNLUPWRLLLLJ-UHFFFAOYSA-N 0 0 444.535 4.820 50 0 IJAARN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCCc1ccccn1 ZINC000037397560 569193424 /nfs/dbraw/zinc/19/34/24/569193424.db2.gz CPWYZPWCMIIYRE-UHFFFAOYSA-N 0 0 439.346 4.688 50 0 IJAARN CCC(=O)N1CCN(Cc2c(-c3ccc(OC)cc3)nc3sc4cc(C)ccc4n23)CC1 ZINC000037399401 569194434 /nfs/dbraw/zinc/19/44/34/569194434.db2.gz FQMACUNAGMCKGV-UHFFFAOYSA-N 0 0 448.592 4.587 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(C(=O)c2cccs2)C(C)C)cc1 ZINC000037401031 569195040 /nfs/dbraw/zinc/19/50/40/569195040.db2.gz CDMXSUIOTKRAQJ-UHFFFAOYSA-N 0 0 445.562 4.575 50 0 IJAARN CC(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037442360 569197002 /nfs/dbraw/zinc/19/70/02/569197002.db2.gz QCUGLLBEENQHCE-LJQANCHMSA-N 0 0 437.437 4.958 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000037443526 569197117 /nfs/dbraw/zinc/19/71/17/569197117.db2.gz NWUOFYWRLABIDJ-LAKDJGHHSA-N 0 0 447.579 4.898 50 0 IJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037444358 569197155 /nfs/dbraw/zinc/19/71/55/569197155.db2.gz XSQUAHPSNSIDIS-PLGVSFSBSA-N 0 0 425.573 4.704 50 0 IJAARN CC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000037524611 569198856 /nfs/dbraw/zinc/19/88/56/569198856.db2.gz ICAQADIMVCYJNS-QHCPKHFHSA-N 0 0 433.596 4.625 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2cccc(Cl)c2)CC1 ZINC000037525834 569199093 /nfs/dbraw/zinc/19/90/93/569199093.db2.gz RZRGUTNRTUCSNX-UHFFFAOYSA-N 0 0 430.957 4.820 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)cc2F)C1 ZINC000037527013 569199232 /nfs/dbraw/zinc/19/92/32/569199232.db2.gz LBOAWSNHARPTFD-INIZCTEOSA-N 0 0 446.519 4.753 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)C2=O)cc1 ZINC000037543381 569199539 /nfs/dbraw/zinc/19/95/39/569199539.db2.gz YWZOCSNYDTWSQR-UHFFFAOYSA-N 0 0 443.503 4.808 50 0 IJAARN COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4cccs4)c3)C2=O)cc1 ZINC000037543958 569199658 /nfs/dbraw/zinc/19/96/58/569199658.db2.gz JESKWFHXYXQWII-UHFFFAOYSA-N 0 0 435.549 4.770 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037547201 569199960 /nfs/dbraw/zinc/19/99/60/569199960.db2.gz ODFSJNFFFZXZIK-QFIPXVFZSA-N 0 0 437.515 4.648 50 0 IJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037555668 569200599 /nfs/dbraw/zinc/20/05/99/569200599.db2.gz RFKWURZSRKGSCF-UHFFFAOYSA-N 0 0 434.511 4.748 50 0 IJAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccccc2F)CC3)cc1 ZINC000037580057 569201857 /nfs/dbraw/zinc/20/18/57/569201857.db2.gz PGOIIZQOWYOYNL-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(Br)cc1)c2=O ZINC000002213511 569202176 /nfs/dbraw/zinc/20/21/76/569202176.db2.gz MTXBSOOIYWXLRF-GFCCVEGCSA-N 0 0 433.254 4.678 50 0 IJAARN Cc1ccc([C@@H]2c3cc(OCC(=O)Nc4ccccc4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037601365 569202354 /nfs/dbraw/zinc/20/23/54/569202354.db2.gz CVZCTSUPRKHHOT-HHHXNRCGSA-N 0 0 440.543 4.897 50 0 IJAARN Cc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NCC3CC3)c2)cc1 ZINC000037601147 569202374 /nfs/dbraw/zinc/20/23/74/569202374.db2.gz BASAQIAEESMMFA-UHFFFAOYSA-N 0 0 442.559 4.676 50 0 IJAARN CCC(=O)N1CCc2ccc(OCC(=O)N(C)c3ccccc3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037603089 569202527 /nfs/dbraw/zinc/20/25/27/569202527.db2.gz XGPIABCFTPWECW-NDEPHWFRSA-N 0 0 442.559 4.921 50 0 IJAARN CC(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000037614076 569203091 /nfs/dbraw/zinc/20/30/91/569203091.db2.gz LPICTNCFCNYBHW-RXVVDRJESA-N 0 0 436.449 4.769 50 0 IJAARN Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c(Cl)cc1Cl ZINC000245170853 569205037 /nfs/dbraw/zinc/20/50/37/569205037.db2.gz XJFZYAAGXSLKIA-QGZVFWFLSA-N 0 0 448.418 4.639 50 0 IJAARN CCN(CC)c1ccc2cc(C(=O)NC(C)=O)c(=Nc3cccc4ccccc43)oc2c1 ZINC000252667951 569209696 /nfs/dbraw/zinc/20/96/96/569209696.db2.gz DOUADHLZYXSGOP-UHFFFAOYSA-N 0 0 427.504 4.941 50 0 IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)nc1C ZINC000003643216 569211921 /nfs/dbraw/zinc/21/19/21/569211921.db2.gz WFQSUZFCOKWQRN-GOSISDBHSA-N 0 0 434.448 4.649 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000000866418 569212246 /nfs/dbraw/zinc/21/22/46/569212246.db2.gz QJSKXYLORXNLBU-NVXWUHKLSA-N 0 0 436.459 4.544 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000007911293 569212248 /nfs/dbraw/zinc/21/22/48/569212248.db2.gz NBNJLAQDSPVHRG-VWLOTQADSA-N 0 0 426.560 4.559 50 0 IJAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002245104 569213520 /nfs/dbraw/zinc/21/35/20/569213520.db2.gz QQGSYKHQJGEPAC-UHFFFAOYSA-N 0 0 427.895 4.739 50 0 IJAARN COc1cc(OC)cc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002265874 569216214 /nfs/dbraw/zinc/21/62/14/569216214.db2.gz YMXPDZDNURWRGL-UHFFFAOYSA-N 0 0 446.507 4.663 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000002265907 569216303 /nfs/dbraw/zinc/21/63/03/569216303.db2.gz HZZFISONFFRDDE-UHFFFAOYSA-N 0 0 443.883 4.621 50 0 IJAARN CCOC(=O)c1ccc(N[C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1 ZINC000002270703 569217133 /nfs/dbraw/zinc/21/71/33/569217133.db2.gz XQAMWVABHLSOCJ-VWLOTQADSA-N 0 0 441.531 4.863 50 0 IJAARN COC(=O)c1c2c(sc1N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)CCCC2 ZINC000002274029 569217698 /nfs/dbraw/zinc/21/76/98/569217698.db2.gz GBFDKBILVBSGJC-CQSZACIVSA-N 0 0 441.808 4.684 50 0 IJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@H](c1cccs1)c1ccccc1 ZINC000013128716 569256817 /nfs/dbraw/zinc/25/68/17/569256817.db2.gz UQGVRUUVPVDYBT-LVXARBLLSA-N 0 0 448.588 4.952 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000027527458 569263237 /nfs/dbraw/zinc/26/32/37/569263237.db2.gz DLBHTBPGKPUMET-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN COc1ccccc1C(=O)Nn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O ZINC000027527514 569263238 /nfs/dbraw/zinc/26/32/38/569263238.db2.gz XAYPEBRIIXHUPK-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000027527399 569263240 /nfs/dbraw/zinc/26/32/40/569263240.db2.gz SSSNALUHFJISBQ-UHFFFAOYSA-N 0 0 436.899 4.799 50 0 IJAARN Cc1nc(CCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)oc1-c1ccccc1 ZINC000253393349 569264439 /nfs/dbraw/zinc/26/44/39/569264439.db2.gz YJVNBDHARIUFLN-LJQANCHMSA-N 0 0 441.572 4.734 50 0 IJAARN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000253418714 569266635 /nfs/dbraw/zinc/26/66/35/569266635.db2.gz WZJIXGHTGLGWKT-LJQANCHMSA-N 0 0 427.451 4.888 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000002306510 569271865 /nfs/dbraw/zinc/27/18/65/569271865.db2.gz IBEGUUOFCQVJMK-CQSZACIVSA-N 0 0 428.579 4.851 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1Cl ZINC000002313671 569272115 /nfs/dbraw/zinc/27/21/15/569272115.db2.gz DMSYBSUMGRREHB-UHFFFAOYSA-N 0 0 434.110 4.700 50 0 IJAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2Br)c(C)c1 ZINC000027572337 569273677 /nfs/dbraw/zinc/27/36/77/569273677.db2.gz FYQZNZSUDMXNJZ-LJQANCHMSA-N 0 0 436.689 4.668 50 0 IJAARN CCOP(=O)(OCC)[C@@H](Nc1ccc(C(=O)OC)cc1)c1ccc(OC)cc1OC ZINC000027570687 569273279 /nfs/dbraw/zinc/27/32/79/569273279.db2.gz GBSCJDNHLWUAFE-HXUWFJFHSA-N 0 0 437.429 4.867 50 0 IJAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2F)cc1O ZINC000002343977 569275336 /nfs/dbraw/zinc/27/53/36/569275336.db2.gz LQVLSWDLZUZJMN-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 ZINC000002369051 569288848 /nfs/dbraw/zinc/28/88/48/569288848.db2.gz QIPTWJYSEXFNJW-UHFFFAOYSA-N 0 0 439.585 4.520 50 0 IJAARN COc1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000002376522 569289436 /nfs/dbraw/zinc/28/94/36/569289436.db2.gz YMOBXJJLYXBYPI-WVXBCFDCSA-N 0 0 433.485 4.714 50 0 IJAARN CC(=O)c1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002383797 569293957 /nfs/dbraw/zinc/29/39/57/569293957.db2.gz MJMAXMXBJDXZAR-UHFFFAOYSA-N 0 0 428.492 4.848 50 0 IJAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002384827 569294212 /nfs/dbraw/zinc/29/42/12/569294212.db2.gz HXJPISBTYHXWPF-QGZVFWFLSA-N 0 0 449.931 4.924 50 0 IJAARN CCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027756333 569296787 /nfs/dbraw/zinc/29/67/87/569296787.db2.gz NSXAYDFQRSOISN-RUZDIDTESA-N 0 0 447.600 4.597 50 0 IJAARN CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002406321 569300216 /nfs/dbraw/zinc/30/02/16/569300216.db2.gz XXBDBVVWEIRXMO-HTAPYJJXSA-N 0 0 435.545 4.856 50 0 IJAARN CCCCCOC(=O)c1c(N)n(-c2cccc(C(=O)OCC)c2)c2nc3ccccc3nc21 ZINC000002406445 569300235 /nfs/dbraw/zinc/30/02/35/569300235.db2.gz YTHMPSDVYPGWCC-UHFFFAOYSA-N 0 0 446.507 4.680 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)cc2)cc1 ZINC000002414717 569301335 /nfs/dbraw/zinc/30/13/35/569301335.db2.gz ZBRJZYKCUWLONF-DEOSSOPVSA-N 0 0 425.484 4.898 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2ccc(C)c(C)c2)cc1 ZINC000002420464 569302008 /nfs/dbraw/zinc/30/20/08/569302008.db2.gz LVHWBOLBTGOILQ-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN CC(C)c1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000002424112 569302382 /nfs/dbraw/zinc/30/23/82/569302382.db2.gz VPPQVASAJHAJHI-SFHVURJKSA-N 0 0 430.508 4.615 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 ZINC000002429167 569302846 /nfs/dbraw/zinc/30/28/46/569302846.db2.gz HCEJOFCQXAZKBX-SFHVURJKSA-N 0 0 435.531 4.907 50 0 IJAARN COCCOC(=O)c1c(C)n(C)c2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002429597 569302896 /nfs/dbraw/zinc/30/28/96/569302896.db2.gz PHMUTYQAMKBEFI-UHFFFAOYSA-N 0 0 443.368 4.564 50 0 IJAARN C[C@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002439618 569303994 /nfs/dbraw/zinc/30/39/94/569303994.db2.gz MPSWTRHJCGBBMX-CQSZACIVSA-N 0 0 434.546 4.670 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013070908 569309042 /nfs/dbraw/zinc/30/90/42/569309042.db2.gz YCYYOYNEJCWAHG-UHFFFAOYSA-N 0 0 438.549 4.665 50 0 IJAARN Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000013074424 569309083 /nfs/dbraw/zinc/30/90/83/569309083.db2.gz APDAGNQRMGBONW-LJQANCHMSA-N 0 0 430.504 4.590 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3cccc(F)c3)n(-c3ccccc3)n2)cc1 ZINC000013075732 569309218 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/nfs/dbraw/zinc/43/62/38/569436238.db2.gz GSLGUYMTMOLULA-UHFFFAOYSA-N 0 0 446.931 4.772 50 0 IJAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1)c1ccccc1 ZINC000057486255 569436427 /nfs/dbraw/zinc/43/64/27/569436427.db2.gz UDRYSFXHHVHCBD-UHFFFAOYSA-N 0 0 427.529 4.777 50 0 IJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1OC ZINC000057486695 569436562 /nfs/dbraw/zinc/43/65/62/569436562.db2.gz YJFQIKUGQLVMBW-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488067 569436899 /nfs/dbraw/zinc/43/68/99/569436899.db2.gz DVFVKZNLFSOROF-ZDUSSCGKSA-N 0 0 433.986 4.594 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000057488385 569436932 /nfs/dbraw/zinc/43/69/32/569436932.db2.gz BZNRFLDEMIPXLA-GJZGRUSLSA-N 0 0 441.622 4.661 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 ZINC000057492557 569437461 /nfs/dbraw/zinc/43/74/61/569437461.db2.gz MSFBYLXZXMXYRG-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2c(C)cc(C)cc2C)c3C)cc1 ZINC000003035578 569437942 /nfs/dbraw/zinc/43/79/42/569437942.db2.gz ODWLQKAMCPYQJO-UHFFFAOYSA-N 0 0 442.563 4.801 50 0 IJAARN Cc1ccc(CCNC(=O)c2cnn3c2nc(C)c(Cc2cc(C)ccc2C)c3C)cc1 ZINC000003035050 569437943 /nfs/dbraw/zinc/43/79/43/569437943.db2.gz OQTGEXBIOZTDIA-UHFFFAOYSA-N 0 0 426.564 4.835 50 0 IJAARN COc1ccccc1CN1C(=O)CN(C2CCCCC2)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000003035194 569437948 /nfs/dbraw/zinc/43/79/48/569437948.db2.gz KRRITVCDXNSCTH-HSZRJFAPSA-N 0 0 426.944 4.593 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000003043911 569438593 /nfs/dbraw/zinc/43/85/93/569438593.db2.gz SFUINSYEZYFNAK-FZKQIMNGSA-N 0 0 427.957 4.636 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc32)CC1 ZINC000003045026 569438651 /nfs/dbraw/zinc/43/86/51/569438651.db2.gz SJTAMIIBPBMBCS-UHFFFAOYSA-N 0 0 432.520 4.716 50 0 IJAARN CC[C@H](Sc1ncccc1C(=O)Oc1ccccc1Cl)C(=O)NCc1ccco1 ZINC000003049016 569438860 /nfs/dbraw/zinc/43/88/60/569438860.db2.gz UXRMBAFMWKUTOS-SFHVURJKSA-N 0 0 430.913 4.734 50 0 IJAARN CCCCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NCc1ccccc1 ZINC000057522980 569439030 /nfs/dbraw/zinc/43/90/30/569439030.db2.gz BVFGWHPMCZXKMF-UHFFFAOYSA-N 0 0 446.576 4.600 50 0 IJAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 ZINC000057530698 569439263 /nfs/dbraw/zinc/43/92/63/569439263.db2.gz ADGSDHXLXVNSGJ-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN CCCCSCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053748 569439345 /nfs/dbraw/zinc/43/93/45/569439345.db2.gz IFPJFZVGZKKZOL-UHFFFAOYSA-N 0 0 429.991 4.560 50 0 IJAARN C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000057713340 569441071 /nfs/dbraw/zinc/44/10/71/569441071.db2.gz IDTRETYEYJRGPY-KUHUBIRLSA-N 0 0 437.883 4.840 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000003216601 569441842 /nfs/dbraw/zinc/44/18/42/569441842.db2.gz NKDBUAVQFSBHRH-UHFFFAOYSA-N 0 0 438.911 4.880 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2N)cc1 ZINC000003220462 569441981 /nfs/dbraw/zinc/44/19/81/569441981.db2.gz JUEWKMOYYYTJMD-UHFFFAOYSA-N 0 0 445.386 4.694 50 0 IJAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1 ZINC000003226666 569442135 /nfs/dbraw/zinc/44/21/35/569442135.db2.gz AEMCMJYTFAMESZ-UHFFFAOYSA-N 0 0 445.519 4.987 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003228009 569442193 /nfs/dbraw/zinc/44/21/93/569442193.db2.gz RURPSVICCOMWKL-UHFFFAOYSA-N 0 0 435.395 4.996 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003228175 569442267 /nfs/dbraw/zinc/44/22/67/569442267.db2.gz UQQWYDKGAJQVQV-UHFFFAOYSA-N 0 0 426.572 4.510 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000003254962 569443019 /nfs/dbraw/zinc/44/30/19/569443019.db2.gz IMNSVWXPGJPJQU-UHFFFAOYSA-N 0 0 437.542 4.732 50 0 IJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003260003 569443186 /nfs/dbraw/zinc/44/31/86/569443186.db2.gz VTUIRRCGKDBADE-UHFFFAOYSA-N 0 0 444.874 4.915 50 0 IJAARN C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)C[C@H](C)O1 ZINC000003265622 569443413 /nfs/dbraw/zinc/44/34/13/569443413.db2.gz XSIXBLLQKSBIHS-GJZGRUSLSA-N 0 0 425.326 4.914 50 0 IJAARN O=C(COC(=O)CCSc1ccccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F ZINC000003276377 569443762 /nfs/dbraw/zinc/44/37/62/569443762.db2.gz DPTOPVFNXUUOFB-UHFFFAOYSA-N 0 0 439.789 4.700 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(NC(C)=O)cc2)cc1 ZINC000003286987 569444147 /nfs/dbraw/zinc/44/41/47/569444147.db2.gz HUVMVHFGPLPFQE-UHFFFAOYSA-N 0 0 449.532 4.637 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C ZINC000003290542 569444348 /nfs/dbraw/zinc/44/43/48/569444348.db2.gz WWSFVHSJKVWGOE-UHFFFAOYSA-N 0 0 447.702 4.564 50 0 IJAARN O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003291452 569444440 /nfs/dbraw/zinc/44/44/40/569444440.db2.gz BLEHVNWBPWHCIK-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 ZINC000058005085 569444581 /nfs/dbraw/zinc/44/45/81/569444581.db2.gz XFFVKLQKZUPCIU-HNNXBMFYSA-N 0 0 449.532 4.616 50 0 IJAARN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccc(OC(F)F)cc1 ZINC000003302404 569445079 /nfs/dbraw/zinc/44/50/79/569445079.db2.gz COIVMONECOCZAE-UHFFFAOYSA-N 0 0 425.387 4.912 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)NC1CCCC1 ZINC000003303460 569445148 /nfs/dbraw/zinc/44/51/48/569445148.db2.gz OXDXLZYUWKXSIA-UHFFFAOYSA-N 0 0 448.375 4.843 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C ZINC000003309374 569445334 /nfs/dbraw/zinc/44/53/34/569445334.db2.gz MBHNWGGJCDJQMV-UHFFFAOYSA-N 0 0 436.537 4.567 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1OC(F)F ZINC000003316955 569445733 /nfs/dbraw/zinc/44/57/33/569445733.db2.gz YHMINFQGBLDMEC-UHFFFAOYSA-N 0 0 426.445 4.753 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc(-c2ccccc2OC)n1C ZINC000030685608 569446406 /nfs/dbraw/zinc/44/64/06/569446406.db2.gz COEZDUKUSPOWLK-UHFFFAOYSA-N 0 0 448.548 4.816 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000003340442 569446809 /nfs/dbraw/zinc/44/68/09/569446809.db2.gz UEVAHWXLIMFTHY-XMMPIXPASA-N 0 0 434.561 4.709 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc2sc3ccccc3n12 ZINC000003346132 569447092 /nfs/dbraw/zinc/44/70/92/569447092.db2.gz ZBIAEUHZEZDXDK-UHFFFAOYSA-N 0 0 426.567 4.981 50 0 IJAARN Cc1ccnc2nc(C(=O)N(c3nc4ccccc4s3)c3cccc(Cl)c3C)nn21 ZINC000003355633 569447653 /nfs/dbraw/zinc/44/76/53/569447653.db2.gz DYENSDCVPQHNKF-UHFFFAOYSA-N 0 0 434.912 4.983 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)C(c1ccccc1)c1ccccc1 ZINC000003357137 569447694 /nfs/dbraw/zinc/44/76/94/569447694.db2.gz DSAFCKXCWMYBSE-UHFFFAOYSA-N 0 0 437.337 4.678 50 0 IJAARN COc1cccc(-n2c(SCC(=O)c3ccc(F)c(F)c3)nc3ccccc3c2=O)c1 ZINC000003369758 569448322 /nfs/dbraw/zinc/44/83/22/569448322.db2.gz IYXISSDJTDYPEH-UHFFFAOYSA-N 0 0 438.455 4.648 50 0 IJAARN Cc1cc(C)c(C(=O)COC(=O)CSc2nnc(NC3CCCCC3)s2)c(C)c1 ZINC000003383386 569448887 /nfs/dbraw/zinc/44/88/87/569448887.db2.gz YKMSHNRFQJBCFA-UHFFFAOYSA-N 0 0 433.599 4.726 50 0 IJAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnnn1-c1ccc(O)cc1 ZINC000003387454 569449025 /nfs/dbraw/zinc/44/90/25/569449025.db2.gz OMWYKWWGCUFRPP-UHFFFAOYSA-N 0 0 447.907 4.681 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 ZINC000003401851 569449813 /nfs/dbraw/zinc/44/98/13/569449813.db2.gz OAQLCSPQVQRPDA-UHFFFAOYSA-N 0 0 430.961 4.557 50 0 IJAARN O=C(CNC(=O)c1cc(-c2cccs2)nc2ccccc21)Nc1ccc(F)c(F)c1F ZINC000003417565 569450245 /nfs/dbraw/zinc/45/02/45/569450245.db2.gz CDTAJKFPGSRTFL-UHFFFAOYSA-N 0 0 441.434 4.749 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000003430100 569450786 /nfs/dbraw/zinc/45/07/86/569450786.db2.gz UQFKQEOSQLWDTF-UHFFFAOYSA-N 0 0 445.500 4.647 50 0 IJAARN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3c(Cl)cc(Cl)cc3Cl)nc2n1 ZINC000003431006 569450811 /nfs/dbraw/zinc/45/08/11/569450811.db2.gz CRIQQIYSFCGMQB-SECBINFHSA-N 0 0 430.748 4.821 50 0 IJAARN Cc1sc2ncnc(Sc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c2c1C ZINC000003439437 569451116 /nfs/dbraw/zinc/45/11/16/569451116.db2.gz DVVAIEMELPSNRW-UHFFFAOYSA-N 0 0 436.628 4.662 50 0 IJAARN O=C(CSc1nnc(NCc2ccccc2)s1)NCc1ccc(Cl)cc1Cl ZINC000003450310 569451619 /nfs/dbraw/zinc/45/16/19/569451619.db2.gz KFYVLQSXWUNNBR-UHFFFAOYSA-N 0 0 439.393 4.866 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1N ZINC000003449976 569451620 /nfs/dbraw/zinc/45/16/20/569451620.db2.gz NDPCVQTXCMESGY-UHFFFAOYSA-N 0 0 427.618 4.553 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C ZINC000003450352 569451630 /nfs/dbraw/zinc/45/16/30/569451630.db2.gz IBDZSGSYDQYSDO-UHFFFAOYSA-N 0 0 437.546 4.774 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cccnc1 ZINC000003486972 569452472 /nfs/dbraw/zinc/45/24/72/569452472.db2.gz NRRWFCGTRQLRRL-GOSISDBHSA-N 0 0 429.549 4.607 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C ZINC000003542898 569453590 /nfs/dbraw/zinc/45/35/90/569453590.db2.gz SFNIDHBBPSEGQY-OAHLLOKOSA-N 0 0 429.611 4.700 50 0 IJAARN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000003639908 569455483 /nfs/dbraw/zinc/45/54/83/569455483.db2.gz RVZGBOMNSTWFJX-BKUYFWCQSA-N 0 0 433.533 4.724 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc(=O)sc3c2)c1 ZINC000003654033 569455754 /nfs/dbraw/zinc/45/57/54/569455754.db2.gz XUNOPIZALPHGBM-UHFFFAOYSA-N 0 0 445.562 4.774 50 0 IJAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1C)C(c1ccccc1)c1ccccc1 ZINC000031328028 569455954 /nfs/dbraw/zinc/45/59/54/569455954.db2.gz NCOJTULSKZDAJA-UHFFFAOYSA-N 0 0 448.617 4.808 50 0 IJAARN O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(I)cc1 ZINC000004017314 569458187 /nfs/dbraw/zinc/45/81/87/569458187.db2.gz VHHQUUJWLIFPOB-UHFFFAOYSA-N 0 0 427.241 4.916 50 0 IJAARN CCCCN1CC(=O)N2C[C@@H](c3ccc(CC)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004083255 569458733 /nfs/dbraw/zinc/45/87/33/569458733.db2.gz RHLKLMLPBKENFV-IDISGSTGSA-N 0 0 429.564 4.562 50 0 biogenic IJAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc(CN2CCCC2=O)cc1 ZINC000032005910 569458765 /nfs/dbraw/zinc/45/87/65/569458765.db2.gz DDJPVUUCQMFZGS-UHFFFAOYSA-N 0 0 428.536 4.600 50 0 IJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@@](=O)C3)CC1 ZINC000004105941 569459054 /nfs/dbraw/zinc/45/90/54/569459054.db2.gz NIFBFQNDMDQAJZ-QPVVHSRNSA-N 0 0 429.586 4.578 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1Cl ZINC000032074420 569459366 /nfs/dbraw/zinc/45/93/66/569459366.db2.gz AQNVHKRGGKSEDF-INIZCTEOSA-N 0 0 445.306 4.696 50 0 IJAARN O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004113128 569459493 /nfs/dbraw/zinc/45/94/93/569459493.db2.gz DCUFFPSRAOIHBE-QHCPKHFHSA-N 0 0 441.560 4.551 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2OC)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000032094638 569459748 /nfs/dbraw/zinc/45/97/48/569459748.db2.gz CAOGRFFEHDYBJY-QGZVFWFLSA-N 0 0 428.847 4.662 50 0 IJAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)c1 ZINC000004178404 569460714 /nfs/dbraw/zinc/46/07/14/569460714.db2.gz AFBCKCQOKICTPK-UHFFFAOYSA-N 0 0 447.874 4.797 50 0 IJAARN CCCCOc1ccc(C(=O)NCCSc2nc(-c3ccc(OC)cc3)c[nH]2)cc1 ZINC000004315459 569461973 /nfs/dbraw/zinc/46/19/73/569461973.db2.gz MUIBDXMZTTWWOJ-UHFFFAOYSA-N 0 0 425.554 4.786 50 0 IJAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1nc(-c2ccco2)cs1 ZINC000038510134 569463160 /nfs/dbraw/zinc/46/31/60/569463160.db2.gz DRNKHNSQGBTKBL-UHFFFAOYSA-N 0 0 442.497 4.822 50 0 IJAARN CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000038546420 569463604 /nfs/dbraw/zinc/46/36/04/569463604.db2.gz USNPFCJGWKTDET-QFIPXVFZSA-N 0 0 439.581 4.637 50 0 IJAARN CSc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000038546423 569463611 /nfs/dbraw/zinc/46/36/11/569463611.db2.gz PQLMGVZAHPSISD-NRFANRHFSA-N 0 0 441.622 4.961 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 ZINC000067216921 569464919 /nfs/dbraw/zinc/46/49/19/569464919.db2.gz AVYCVISMZGNAAI-UHFFFAOYSA-N 0 0 449.601 4.781 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3C)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236737 569465422 /nfs/dbraw/zinc/46/54/22/569465422.db2.gz PUYNIZBUQCUSKY-UHFFFAOYSA-N 0 0 438.940 4.715 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cccc(C(C)C)c3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238210 569465585 /nfs/dbraw/zinc/46/55/85/569465585.db2.gz CXHVIUKHHCYXKN-UHFFFAOYSA-N 0 0 426.586 4.933 50 0 IJAARN CC(C)(C)c1ccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)cc1 ZINC000067257914 569466132 /nfs/dbraw/zinc/46/61/32/569466132.db2.gz HMLRQEFYHGUPCD-UHFFFAOYSA-N 0 0 437.341 4.691 50 0 IJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2cc(F)ccc2F)c1 ZINC000067258650 569466151 /nfs/dbraw/zinc/46/61/51/569466151.db2.gz KJASCICWSCYOOE-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)cc(F)c2)cc1OC ZINC000067260477 569466363 /nfs/dbraw/zinc/46/63/63/569466363.db2.gz CWRMMWGTBYOUJO-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COCC(=O)N1CCCc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc21 ZINC000038677759 569466578 /nfs/dbraw/zinc/46/65/78/569466578.db2.gz SFNWFPWYHVRLND-UHFFFAOYSA-N 0 0 426.944 4.716 50 0 IJAARN Cc1ccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)cc1 ZINC000067288193 569467346 /nfs/dbraw/zinc/46/73/46/569467346.db2.gz BOGFPGSRMPAQQD-UHFFFAOYSA-N 0 0 432.543 4.635 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)=O)c4)nccn3n2)cc1 ZINC000067290448 569467567 /nfs/dbraw/zinc/46/75/67/569467567.db2.gz SKZDFXLSMBGYMV-UHFFFAOYSA-N 0 0 446.532 4.728 50 0 IJAARN CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067292842 569467736 /nfs/dbraw/zinc/46/77/36/569467736.db2.gz CYHJBEKPRVSWAI-HGFVNXKRSA-N 0 0 426.900 4.626 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(C)cn1 ZINC000067294414 569467899 /nfs/dbraw/zinc/46/78/99/569467899.db2.gz FFWGTGBGGXSNGB-RWEWTDSWSA-N 0 0 435.867 4.989 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)c(OC)c1 ZINC000067295636 569467948 /nfs/dbraw/zinc/46/79/48/569467948.db2.gz WOPPQADVWZOGOS-RFBIWTDZSA-N 0 0 445.475 4.647 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Cl)c3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 ZINC000008664964 569469965 /nfs/dbraw/zinc/46/99/65/569469965.db2.gz LFLPEGFPVWIPBS-DHIUTWEWSA-N 0 0 427.895 4.848 50 0 IJAARN CCOc1ccc(-n2c(SCc3nccn3C(F)F)nnc2-c2ccncc2)cc1 ZINC000008710168 569470880 /nfs/dbraw/zinc/47/08/80/569470880.db2.gz JDGSTODMXDIIFR-UHFFFAOYSA-N 0 0 428.468 4.612 50 0 IJAARN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)C1)C(=O)c1ccccc1 ZINC000008715707 569471056 /nfs/dbraw/zinc/47/10/56/569471056.db2.gz POLRJXGVHCQEFB-PZJWPPBQSA-N 0 0 448.544 4.676 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Sc3nc4ccccc4c(=O)n3C(C)C)nc(=O)c2c1C ZINC000008719689 569471456 /nfs/dbraw/zinc/47/14/56/569471456.db2.gz DQDHSGNXCJNNFJ-ZDUSSCGKSA-N 0 0 426.567 4.746 50 0 IJAARN Cc1ccccc1OCc1nc(SCC(=O)N[C@H](C)c2cccc3ccccc32)n[nH]1 ZINC000008723732 569471912 /nfs/dbraw/zinc/47/19/12/569471912.db2.gz GMKVVSIZVCSBND-QGZVFWFLSA-N 0 0 432.549 4.815 50 0 IJAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000008736207 569472688 /nfs/dbraw/zinc/47/26/88/569472688.db2.gz XRXOWWTYZZIILE-YLJYHZDGSA-N 0 0 434.565 4.904 50 0 IJAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)C1 ZINC000008736213 569472706 /nfs/dbraw/zinc/47/27/06/569472706.db2.gz XRXOWWTYZZIILE-XLIONFOSSA-N 0 0 434.565 4.904 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CCCn3c4ccccc4oc3=O)ccc2OC)cc1 ZINC000008736137 569472719 /nfs/dbraw/zinc/47/27/19/569472719.db2.gz ATWGMXIGELMUGI-UHFFFAOYSA-N 0 0 432.476 4.698 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)NCCc1ccc(F)cc1)cc2-c1cccnc1 ZINC000008747639 569473156 /nfs/dbraw/zinc/47/31/56/569473156.db2.gz JROYMEWOIPYYBC-UHFFFAOYSA-N 0 0 447.535 4.896 50 0 IJAARN COc1ccc(CN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)C2CC2)cc1 ZINC000008748552 569473211 /nfs/dbraw/zinc/47/32/11/569473211.db2.gz OLRHQNVXOYKGFR-UHFFFAOYSA-N 0 0 430.504 4.518 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000008755644 569474018 /nfs/dbraw/zinc/47/40/18/569474018.db2.gz ICJZCWYCSZGVIS-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN COc1ccc(-c2ccnc(-c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000008762380 569474304 /nfs/dbraw/zinc/47/43/04/569474304.db2.gz KFOGJVWEPHMGLE-UHFFFAOYSA-N 0 0 432.501 4.895 50 0 IJAARN O=C(CCCC(=O)OCC(F)(F)F)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008781098 569475652 /nfs/dbraw/zinc/47/56/52/569475652.db2.gz UNMDINYQRCXPKW-UHFFFAOYSA-N 0 0 430.492 4.825 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008790720 569476122 /nfs/dbraw/zinc/47/61/22/569476122.db2.gz SOWNFUYKOJOTFG-NREPNLDQSA-N 0 0 449.554 4.775 50 0 biogenic IJAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815830 569476759 /nfs/dbraw/zinc/47/67/59/569476759.db2.gz KWXVECJCHYYHBA-FQEVSTJZSA-N 0 0 430.957 4.920 50 0 IJAARN CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000008824744 569477215 /nfs/dbraw/zinc/47/72/15/569477215.db2.gz CDIAQYTZZROABH-GFCCVEGCSA-N 0 0 439.493 4.585 50 0 IJAARN CC(C)CCN1c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2CCC1=O ZINC000008840943 569478421 /nfs/dbraw/zinc/47/84/21/569478421.db2.gz PAMMFIMRZNQNRD-UHFFFAOYSA-N 0 0 426.582 4.692 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 ZINC000008845029 569478666 /nfs/dbraw/zinc/47/86/66/569478666.db2.gz UFWVWGVMTLINAU-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1OCC ZINC000008845838 569478907 /nfs/dbraw/zinc/47/89/07/569478907.db2.gz DVUBLGCIIGPZEY-DEOSSOPVSA-N 0 0 435.524 4.925 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1Cc1cccnc1 ZINC000008846044 569478999 /nfs/dbraw/zinc/47/89/99/569478999.db2.gz YSOSWHZSTFTBSI-FQEVSTJZSA-N 0 0 447.288 4.696 50 0 IJAARN O=C(CSc1nc(CC(=O)NC2CCCCCC2)cs1)Nc1ccc(Cl)cc1 ZINC000008852345 569479438 /nfs/dbraw/zinc/47/94/38/569479438.db2.gz AGSHGXKSVPSAIC-UHFFFAOYSA-N 0 0 438.018 4.909 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 ZINC000008852854 569479497 /nfs/dbraw/zinc/47/94/97/569479497.db2.gz HSJWPBFJJJBYRQ-MRXNPFEDSA-N 0 0 437.590 4.703 50 0 IJAARN COc1cc(CSc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc(OC)c1 ZINC000008853657 569479539 /nfs/dbraw/zinc/47/95/39/569479539.db2.gz ZHXFFMYGELWTAE-UHFFFAOYSA-N 0 0 448.997 4.965 50 0 IJAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1 ZINC000008861150 569479986 /nfs/dbraw/zinc/47/99/86/569479986.db2.gz XMXNOIZHPVQMFL-HXUWFJFHSA-N 0 0 429.545 4.627 50 0 IJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1CCc2ccccc2C1 ZINC000008862527 569480207 /nfs/dbraw/zinc/48/02/07/569480207.db2.gz IPGMSOZPFKNBLZ-INIZCTEOSA-N 0 0 443.576 4.827 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)c2cc3ccccc3oc2=O)cc1OCCC ZINC000008867900 569480304 /nfs/dbraw/zinc/48/03/04/569480304.db2.gz FYQQSBJEESWDIM-UHFFFAOYSA-N 0 0 449.463 4.673 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)c1 ZINC000008871414 569480788 /nfs/dbraw/zinc/48/07/88/569480788.db2.gz KDOXYKOMLWZQTR-GJZGRUSLSA-N 0 0 430.335 4.759 50 0 IJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000039535794 569481705 /nfs/dbraw/zinc/48/17/05/569481705.db2.gz WHXXBQGXRVSFFZ-UHFFFAOYSA-N 0 0 428.920 4.625 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1O)c1ccccc1Cl ZINC000039975545 569482140 /nfs/dbraw/zinc/48/21/40/569482140.db2.gz CJCAEWRVHRFTER-OAQYLSRUSA-N 0 0 433.895 4.507 50 0 IJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000040011938 569482527 /nfs/dbraw/zinc/48/25/27/569482527.db2.gz BDFXREAZFXKTPD-NFBKMPQASA-N 0 0 428.561 4.969 50 0 IJAARN CC(=O)c1ccccc1OCCOC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000040024901 569482835 /nfs/dbraw/zinc/48/28/35/569482835.db2.gz KAXYWWXHVVLMPY-UHFFFAOYSA-N 0 0 434.423 4.776 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1C ZINC000040042844 569483526 /nfs/dbraw/zinc/48/35/26/569483526.db2.gz FWHAAPFKCPEQFR-UHFFFAOYSA-N 0 0 441.553 4.793 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008893362 569483581 /nfs/dbraw/zinc/48/35/81/569483581.db2.gz RGAGZEQQEPWKRY-IAGOWNOFSA-N 0 0 433.577 4.970 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000008895862 569483822 /nfs/dbraw/zinc/48/38/22/569483822.db2.gz RRURKXNMZLZFSI-UHFFFAOYSA-N 0 0 426.611 4.925 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000008897728 569483953 /nfs/dbraw/zinc/48/39/53/569483953.db2.gz HALFQOLFCWFHPV-JTQLQIEISA-N 0 0 433.986 4.802 50 0 IJAARN CC[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)C1=O ZINC000008899673 569484042 /nfs/dbraw/zinc/48/40/42/569484042.db2.gz SWHIQRPXIIRYRA-HHHXNRCGSA-N 0 0 443.547 4.646 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000008911667 569484898 /nfs/dbraw/zinc/48/48/98/569484898.db2.gz KTQQCZUQPJNPRW-UHFFFAOYSA-N 0 0 430.371 4.592 50 0 IJAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2cccc(OC)c2)cc1 ZINC000008911927 569484926 /nfs/dbraw/zinc/48/49/26/569484926.db2.gz XQEKSMIRCYRVKU-UHFFFAOYSA-N 0 0 446.576 4.920 50 0 IJAARN COc1ccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000008913417 569485317 /nfs/dbraw/zinc/48/53/17/569485317.db2.gz KGNDQHOFKGGEKA-UHFFFAOYSA-N 0 0 446.576 4.919 50 0 IJAARN COCCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913472 569485323 /nfs/dbraw/zinc/48/53/23/569485323.db2.gz CWOLSARFCRHEEZ-UHFFFAOYSA-N 0 0 446.576 4.538 50 0 IJAARN O=C(c1ccccc1C(F)(F)F)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000040073265 569486083 /nfs/dbraw/zinc/48/60/83/569486083.db2.gz WFKAZNFQAGLJEV-UHFFFAOYSA-N 0 0 427.879 4.514 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000008920247 569486499 /nfs/dbraw/zinc/48/64/99/569486499.db2.gz YIDCNBZKKQQFOX-QHCPKHFHSA-N 0 0 444.369 4.900 50 0 IJAARN CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000008920633 569486521 /nfs/dbraw/zinc/48/65/21/569486521.db2.gz UGDLAXZUHDLTKK-UHFFFAOYSA-N 0 0 435.940 4.763 50 0 IJAARN Cc1c(C(=O)Nc2ncc(-c3ccccc3)s2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000040087542 569486735 /nfs/dbraw/zinc/48/67/35/569486735.db2.gz XSFOJEXCENNVQC-UHFFFAOYSA-N 0 0 436.562 4.869 50 0 IJAARN COc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000008922642 569486926 /nfs/dbraw/zinc/48/69/26/569486926.db2.gz OGYVGYZCFKHFPW-RUZDIDTESA-N 0 0 435.907 4.664 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008933589 569487795 /nfs/dbraw/zinc/48/77/95/569487795.db2.gz OLQYGXDOBAFNLQ-UHFFFAOYSA-N 0 0 425.261 4.817 50 0 IJAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000008933987 569487935 /nfs/dbraw/zinc/48/79/35/569487935.db2.gz QFSJIKHMLXFEGR-UHFFFAOYSA-N 0 0 440.590 4.601 50 0 IJAARN O=C(COc1ccc(Br)cc1CO)Nc1ccc(OCc2ccccc2)cc1 ZINC000008935959 569488007 /nfs/dbraw/zinc/48/80/07/569488007.db2.gz AAPSMOIPGIJZQL-UHFFFAOYSA-N 0 0 442.309 4.538 50 0 IJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008940598 569488372 /nfs/dbraw/zinc/48/83/72/569488372.db2.gz ACKVPSGKLZDSDR-UHFFFAOYSA-N 0 0 440.931 4.634 50 0 IJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(OCc2cccnc2)cc1 ZINC000040106773 569488415 /nfs/dbraw/zinc/48/84/15/569488415.db2.gz IPFKFCFUICRCOD-UHFFFAOYSA-N 0 0 431.467 4.704 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008942536 569488712 /nfs/dbraw/zinc/48/87/12/569488712.db2.gz ZTZBHKUWBKQTAB-ZDUSSCGKSA-N 0 0 437.384 4.627 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)CCc4ccccc4)c(=O)c23)s1 ZINC000008943349 569488815 /nfs/dbraw/zinc/48/88/15/569488815.db2.gz BTXQHJJCQZNISP-OAHLLOKOSA-N 0 0 437.590 4.632 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000008944109 569488924 /nfs/dbraw/zinc/48/89/24/569488924.db2.gz TVNWZZNRNAHOMH-UHFFFAOYSA-N 0 0 438.574 4.802 50 0 IJAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)Nc1ccc(Cl)cc1)c2=O ZINC000008955320 569490124 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C[C@@H](Nc1ccccc1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009130983 569506928 /nfs/dbraw/zinc/50/69/28/569506928.db2.gz PNXUDLZEJSWBBY-LJQANCHMSA-N 0 0 449.576 4.577 50 0 IJAARN Cc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(F)cc1 ZINC000009135003 569507095 /nfs/dbraw/zinc/50/70/95/569507095.db2.gz QSFNQNVIMJIVIC-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1Cc1cccc(Cl)c1)n2C ZINC000009153580 569508126 /nfs/dbraw/zinc/50/81/26/569508126.db2.gz ZJNIUIIVFLOWPQ-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1cccc(Cl)c1)n2C ZINC000009153619 569508134 /nfs/dbraw/zinc/50/81/34/569508134.db2.gz VFKQPZPZNTXVBT-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1cc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)nc2ccccc12 ZINC000009155546 569508308 /nfs/dbraw/zinc/50/83/08/569508308.db2.gz JSPWJSGTPMQBEW-UHFFFAOYSA-N 0 0 445.544 4.821 50 0 IJAARN COc1ccc(OC)c([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009161447 569508713 /nfs/dbraw/zinc/50/87/13/569508713.db2.gz PCUAMCCSYLVCDM-NRFANRHFSA-N 0 0 448.862 4.608 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000009168093 569509125 /nfs/dbraw/zinc/50/91/25/569509125.db2.gz IUYHKERTJNLMCO-UHFFFAOYSA-N 0 0 444.597 4.848 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1OC ZINC000009184856 569510003 /nfs/dbraw/zinc/51/00/03/569510003.db2.gz ZUYBEJCWFPCVLY-QFIPXVFZSA-N 0 0 444.487 4.621 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2C)cc1OCCC ZINC000009195090 569510937 /nfs/dbraw/zinc/51/09/37/569510937.db2.gz MZJDKDIVAMOFEK-UHFFFAOYSA-N 0 0 439.512 4.949 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4cc(C)ccc4[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000009202880 569511207 /nfs/dbraw/zinc/51/12/07/569511207.db2.gz OWOPMVMKWOMBHT-OAQYLSRUSA-N 0 0 446.532 4.943 50 0 IJAARN CCCc1ccc(C(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000009203632 569511307 /nfs/dbraw/zinc/51/13/07/569511307.db2.gz WCERGJPIRMUDJZ-UHFFFAOYSA-N 0 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COc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000009242744 569514685 /nfs/dbraw/zinc/51/46/85/569514685.db2.gz WNSKUHHTGNUPAQ-JOCHJYFZSA-N 0 0 446.890 4.904 50 0 IJAARN COc1ccc(CCn2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 ZINC000009243654 569514941 /nfs/dbraw/zinc/51/49/41/569514941.db2.gz SCGVOZOCZNCNIN-UHFFFAOYSA-N 0 0 448.530 4.972 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000009245130 569515206 /nfs/dbraw/zinc/51/52/06/569515206.db2.gz DNKJGPPZGDCGDH-QGZVFWFLSA-N 0 0 446.576 4.607 50 0 IJAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccc1)CC(=O)N2Cc1ccc(C)cc1 ZINC000009250469 569515677 /nfs/dbraw/zinc/51/56/77/569515677.db2.gz BWZRZGLPFNBUDU-QHCPKHFHSA-N 0 0 437.547 4.965 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)Nc1nnc(N3CCCC[C@H]3C)s1)CCCC2 ZINC000009251164 569515827 /nfs/dbraw/zinc/51/58/27/569515827.db2.gz FQLXPMHZFLCKEC-GFCCVEGCSA-N 0 0 449.602 4.678 50 0 IJAARN COc1ccc(Cl)cc1CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009253406 569516209 /nfs/dbraw/zinc/51/62/09/569516209.db2.gz MAYLMQAIGXIQIQ-UHFFFAOYSA-N 0 0 432.911 4.869 50 0 IJAARN O=C(CSc1nc2ccccc2o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009254007 569516293 /nfs/dbraw/zinc/51/62/93/569516293.db2.gz XNFVTHNHBNOJJR-UHFFFAOYSA-N 0 0 438.530 4.986 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000009255685 569516633 /nfs/dbraw/zinc/51/66/33/569516633.db2.gz JOJAOUQXNWEOHZ-UHFFFAOYSA-N 0 0 427.403 4.663 50 0 IJAARN O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)cc1 ZINC000009261825 569517006 /nfs/dbraw/zinc/51/70/06/569517006.db2.gz QOHMOXNWEQJBNN-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000009283776 569518960 /nfs/dbraw/zinc/51/89/60/569518960.db2.gz SXAKIGBFONMMSL-LLVKDONJSA-N 0 0 441.500 4.881 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)N1CCCCC1 ZINC000009288466 569519449 /nfs/dbraw/zinc/51/94/49/569519449.db2.gz KRWOEMUTKBMFKJ-UHFFFAOYSA-N 0 0 428.341 4.812 50 0 IJAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000009288935 569519502 /nfs/dbraw/zinc/51/95/02/569519502.db2.gz GZDKCJGOYYSSLC-UHFFFAOYSA-N 0 0 441.535 4.947 50 0 IJAARN CCn1c(COc2ccccc2C(C)C)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009289972 569519692 /nfs/dbraw/zinc/51/96/92/569519692.db2.gz CKXOGVBJJJFDSR-UHFFFAOYSA-N 0 0 435.553 4.529 50 0 IJAARN COc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(OC)c1 ZINC000009307310 569521419 /nfs/dbraw/zinc/52/14/19/569521419.db2.gz QYSFJGWLKUMQKS-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009309600 569521561 /nfs/dbraw/zinc/52/15/61/569521561.db2.gz ZPNSOLOXSDYRGJ-BJKOFHAPSA-N 0 0 439.544 4.916 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccn2)N1Cc1ccccc1 ZINC000009309677 569521618 /nfs/dbraw/zinc/52/16/18/569521618.db2.gz BVQYHFKCTFIUHK-FQEVSTJZSA-N 0 0 447.288 4.696 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccccc1 ZINC000009309735 569521643 /nfs/dbraw/zinc/52/16/43/569521643.db2.gz DROLWBBJECMUFJ-FQEVSTJZSA-N 0 0 447.288 4.696 50 0 IJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)c1 ZINC000009317210 569522351 /nfs/dbraw/zinc/52/23/51/569522351.db2.gz ZKIMKZJLWAWPCZ-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2c(C)c(C)sc2NC(=O)C(C)(C)C)c1C ZINC000009336770 569523442 /nfs/dbraw/zinc/52/34/42/569523442.db2.gz ZMXIOBZORDYMBJ-AWEZNQCLSA-N 0 0 446.569 4.925 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccccc1Cc1ccccc1 ZINC000009336626 569523464 /nfs/dbraw/zinc/52/34/64/569523464.db2.gz CKWMVUCQSHDBMB-UHFFFAOYSA-N 0 0 441.560 4.997 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3ccc(CN4CCCC4=O)cc3)ccc2OC)cc1 ZINC000009337043 569523495 /nfs/dbraw/zinc/52/34/95/569523495.db2.gz PAPPQCZXUMOBOC-UHFFFAOYSA-N 0 0 430.504 4.746 50 0 IJAARN CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000009338390 569523645 /nfs/dbraw/zinc/52/36/45/569523645.db2.gz JNMHBXXELPDJOM-UHFFFAOYSA-N 0 0 449.557 4.643 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1C[C@@H](O)c1ccccc1 ZINC000009344847 569524007 /nfs/dbraw/zinc/52/40/07/569524007.db2.gz GYMSSNWHVYYXQN-KNQAVFIVSA-N 0 0 449.865 4.864 50 0 IJAARN CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000009346042 569524190 /nfs/dbraw/zinc/52/41/90/569524190.db2.gz QKXFSBVDYMFFDY-UHFFFAOYSA-N 0 0 439.965 4.936 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccccc1Cl ZINC000009347811 569524296 /nfs/dbraw/zinc/52/42/96/569524296.db2.gz NMFBJHPPCLHMDB-LJQANCHMSA-N 0 0 428.883 4.866 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)ccc1OCc1ccccc1 ZINC000009347680 569524298 /nfs/dbraw/zinc/52/42/98/569524298.db2.gz PRUBRJRBDVUCEN-HSZRJFAPSA-N 0 0 427.456 4.556 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 ZINC000009354555 569525082 /nfs/dbraw/zinc/52/50/82/569525082.db2.gz LRZLAIFFEOEJNG-UHFFFAOYSA-N 0 0 439.562 4.732 50 0 IJAARN CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009355746 569525269 /nfs/dbraw/zinc/52/52/69/569525269.db2.gz VCCZTIYOJSXJSO-UHFFFAOYSA-N 0 0 426.325 4.563 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)N1CCCCCC1 ZINC000009356156 569525461 /nfs/dbraw/zinc/52/54/61/569525461.db2.gz FDSUDRHERVVIMV-UHFFFAOYSA-N 0 0 438.549 4.665 50 0 IJAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)cc1 ZINC000009363783 569525964 /nfs/dbraw/zinc/52/59/64/569525964.db2.gz ZGWLHJUWZJYVHG-UHFFFAOYSA-N 0 0 430.327 4.643 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C)c(C)c3)s2)c(C)c1 ZINC000009365237 569526125 /nfs/dbraw/zinc/52/61/25/569526125.db2.gz IWWANANVBNMZML-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN C[C@H](c1nnc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(Cl)cc1)N(C)C ZINC000009368740 569526660 /nfs/dbraw/zinc/52/66/60/569526660.db2.gz NWBZLMFAJUUODK-CQSZACIVSA-N 0 0 440.960 4.886 50 0 IJAARN COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1OC ZINC000009377150 569527468 /nfs/dbraw/zinc/52/74/68/569527468.db2.gz KXFJJJFTJBLGQD-UHFFFAOYSA-N 0 0 439.512 4.541 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2nc3ccccc3s2)c1 ZINC000009377825 569527542 /nfs/dbraw/zinc/52/75/42/569527542.db2.gz PEWITJVVWKNFOT-UHFFFAOYSA-N 0 0 444.560 4.928 50 0 IJAARN Cc1ccccc1-n1c(Cn2c3ccccc3sc2=O)nnc1SCc1ccccn1 ZINC000009382865 569528351 /nfs/dbraw/zinc/52/83/51/569528351.db2.gz MGYGVSDMGKUPCW-UHFFFAOYSA-N 0 0 445.573 4.688 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000009384822 569528416 /nfs/dbraw/zinc/52/84/16/569528416.db2.gz SQTUIKNNYHKFRR-LLVKDONJSA-N 0 0 432.431 4.799 50 0 IJAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009390334 569528642 /nfs/dbraw/zinc/52/86/42/569528642.db2.gz PJDOULDSVCGHQT-OAQYLSRUSA-N 0 0 436.533 4.861 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)Nc1ccccc1 ZINC000009391815 569529057 /nfs/dbraw/zinc/52/90/57/569529057.db2.gz GEDTYCRQLRFZGU-UHFFFAOYSA-N 0 0 429.545 4.802 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000009404278 569529627 /nfs/dbraw/zinc/52/96/27/569529627.db2.gz OZTSILBBTXZVOF-OAQYLSRUSA-N 0 0 441.350 4.989 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000009407675 569530313 /nfs/dbraw/zinc/53/03/13/569530313.db2.gz ZROLBHUSGXDGOV-UHFFFAOYSA-N 0 0 449.937 4.625 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 ZINC000009409064 569530786 /nfs/dbraw/zinc/53/07/86/569530786.db2.gz YWGJJLILRPLHJB-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN CCCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1 ZINC000009409050 569530816 /nfs/dbraw/zinc/53/08/16/569530816.db2.gz DUMLBJNCILMNLS-VWLOTQADSA-N 0 0 449.551 4.933 50 0 IJAARN CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)c1 ZINC000009409077 569530820 /nfs/dbraw/zinc/53/08/20/569530820.db2.gz PVMUFGLQKRQVRM-RUZDIDTESA-N 0 0 449.551 4.933 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Br)cc1 ZINC000009409250 569530994 /nfs/dbraw/zinc/53/09/94/569530994.db2.gz OSHBZVBIPNGNHZ-FQEVSTJZSA-N 0 0 426.314 4.890 50 0 IJAARN Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000009412555 569531597 /nfs/dbraw/zinc/53/15/97/569531597.db2.gz VFMPQUIJOYXPIC-UHFFFAOYSA-N 0 0 437.496 4.679 50 0 IJAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)cc1 ZINC000009412823 569531667 /nfs/dbraw/zinc/53/16/67/569531667.db2.gz LIQHSCUONWXPLJ-QGZVFWFLSA-N 0 0 439.581 4.677 50 0 IJAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(Cl)cc1Cl ZINC000009413676 569531824 /nfs/dbraw/zinc/53/18/24/569531824.db2.gz XLUYCAYGXDOBOJ-HHHXNRCGSA-N 0 0 440.739 4.847 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc21 ZINC000009427517 569533385 /nfs/dbraw/zinc/53/33/85/569533385.db2.gz WQNNBOAFESWTJN-MRXNPFEDSA-N 0 0 443.594 4.729 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000009427516 569533394 /nfs/dbraw/zinc/53/33/94/569533394.db2.gz WQNNBOAFESWTJN-INIZCTEOSA-N 0 0 443.594 4.729 50 0 IJAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1Sc1ccccc1)CC2 ZINC000009430050 569533895 /nfs/dbraw/zinc/53/38/95/569533895.db2.gz HTYDDVPLSUCYIN-UHFFFAOYSA-N 0 0 434.561 4.852 50 0 IJAARN CCCCCCOc1ccc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009431278 569534112 /nfs/dbraw/zinc/53/41/12/569534112.db2.gz OSSGUOPKCGZJMM-HXUWFJFHSA-N 0 0 449.638 4.845 50 0 IJAARN CSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)n1 ZINC000009431766 569534267 /nfs/dbraw/zinc/53/42/67/569534267.db2.gz JJNILZNRDIHHHX-UHFFFAOYSA-N 0 0 444.394 4.901 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 ZINC000009432735 569534443 /nfs/dbraw/zinc/53/44/43/569534443.db2.gz AQWHLKXBKWGHTJ-DNQXCXABSA-N 0 0 448.588 4.554 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000009432792 569534456 /nfs/dbraw/zinc/53/44/56/569534456.db2.gz ZDGWMSRJHHUECY-SFTDATJTSA-N 0 0 440.952 4.967 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000009432793 569534497 /nfs/dbraw/zinc/53/44/97/569534497.db2.gz MTCUUAUVBHHYNC-NHCUHLMSSA-N 0 0 440.952 4.967 50 0 IJAARN CSc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009434971 569534739 /nfs/dbraw/zinc/53/47/39/569534739.db2.gz XJTVZNURPIZKDZ-UHFFFAOYSA-N 0 0 432.611 4.679 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1Br)c1ccc(Cl)s1 ZINC000009441899 569535436 /nfs/dbraw/zinc/53/54/36/569535436.db2.gz VQVVWMPPLRZMAT-UHFFFAOYSA-N 0 0 431.558 4.727 50 0 IJAARN Cc1cc(C(=O)COc2ccc(Br)cc2CO)c(C)n1Cc1cccs1 ZINC000009442353 569535552 /nfs/dbraw/zinc/53/55/52/569535552.db2.gz GXCQOWOOQIPSCH-UHFFFAOYSA-N 0 0 434.355 4.731 50 0 IJAARN Cc1c(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000009446297 569535892 /nfs/dbraw/zinc/53/58/92/569535892.db2.gz VWKPROBFPKIEAL-UHFFFAOYSA-N 0 0 443.503 4.603 50 0 IJAARN Cc1cc(C(=O)COc2cccc(Oc3ccccc3)c2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009453808 569536673 /nfs/dbraw/zinc/53/66/73/569536673.db2.gz TWLHQTGGIKXIBV-LJQANCHMSA-N 0 0 439.533 4.519 50 0 IJAARN CSCC[C@H](NC(=O)c1cc2c(nc3sccn23)s1)c1nc2ccccc2[nH]1 ZINC000009459840 569536888 /nfs/dbraw/zinc/53/68/88/569536888.db2.gz AWSJNMNAXOCLIB-ZDUSSCGKSA-N 0 0 427.580 4.711 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000009463368 569537455 /nfs/dbraw/zinc/53/74/55/569537455.db2.gz KEFWOKCAQOPUPN-URXFXBBRSA-N 0 0 438.572 4.725 50 0 IJAARN Clc1ccccc1-n1c(SCc2nnc(-c3ccccc3)o2)nnc1N1CCCC1 ZINC000009465722 569538034 /nfs/dbraw/zinc/53/80/34/569538034.db2.gz XFQYWWWZXWIJGJ-UHFFFAOYSA-N 0 0 438.944 4.863 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009466159 569538123 /nfs/dbraw/zinc/53/81/23/569538123.db2.gz QUNZWJWJOXYPKJ-UHFFFAOYSA-N 0 0 434.452 4.536 50 0 IJAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000009466650 569538283 /nfs/dbraw/zinc/53/82/83/569538283.db2.gz YVKMFQUJDCRRBV-LBPRGKRZSA-N 0 0 429.851 4.584 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4n3C)[C@H](c3ccco3)C2)cc1 ZINC000009466947 569538338 /nfs/dbraw/zinc/53/83/38/569538338.db2.gz SGPDOPVMXQQJPP-NRFANRHFSA-N 0 0 446.532 4.645 50 0 IJAARN C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009467303 569538351 /nfs/dbraw/zinc/53/83/51/569538351.db2.gz NCNWXFPRGIJCJZ-NLFFAJNJSA-N 0 0 438.531 4.611 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000009467290 569538395 /nfs/dbraw/zinc/53/83/95/569538395.db2.gz FNHGIHZGBWBQSX-QAPCUYQASA-N 0 0 429.973 4.514 50 0 IJAARN Cc1oc2cc(OCC(=O)NCCc3cccs3)ccc2c(=O)c1Oc1ccccc1 ZINC000009476617 569539112 /nfs/dbraw/zinc/53/91/12/569539112.db2.gz OUGWGGOEBJNYNN-UHFFFAOYSA-N 0 0 435.501 4.693 50 0 IJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009477638 569539198 /nfs/dbraw/zinc/53/91/98/569539198.db2.gz SVFXVHIKZHVDFB-UHFFFAOYSA-N 0 0 431.536 4.750 50 0 IJAARN COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)COC(C)(C)C3)c1 ZINC000009487630 569539746 /nfs/dbraw/zinc/53/97/46/569539746.db2.gz CVFKPKFNMDZFNX-UHFFFAOYSA-N 0 0 435.549 4.734 50 0 IJAARN Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)c1 ZINC000009489585 569540043 /nfs/dbraw/zinc/54/00/43/569540043.db2.gz DVEVMWXPKKJDAV-UPVQGACJSA-N 0 0 433.533 4.609 50 0 IJAARN Nc1nnc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)s1 ZINC000009492392 569540544 /nfs/dbraw/zinc/54/05/44/569540544.db2.gz BNDFFNNHEJOCPW-HXUWFJFHSA-N 0 0 445.573 4.744 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCS[C@H]1c1ccccc1F ZINC000009496263 569541216 /nfs/dbraw/zinc/54/12/16/569541216.db2.gz LILDXKIMMIXFIG-IBGZPJMESA-N 0 0 446.598 4.847 50 0 IJAARN COC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCCCC2 ZINC000009496750 569541223 /nfs/dbraw/zinc/54/12/23/569541223.db2.gz NLEZFKDGFGLRFT-UHFFFAOYSA-N 0 0 436.986 4.974 50 0 IJAARN CCOc1cccc2cc([C@@H](C)NC(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)oc21 ZINC000009499065 569541476 /nfs/dbraw/zinc/54/14/76/569541476.db2.gz JCVKCUXMVBLPFX-KRGUIMPISA-N 0 0 438.568 4.731 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)NCc2ccccc2OC)c1C ZINC000009502409 569541681 /nfs/dbraw/zinc/54/16/81/569541681.db2.gz WMFDTBMKFZNHOR-UHFFFAOYSA-N 0 0 434.536 4.745 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)c2ccccc2C)c1 ZINC000009507211 569541953 /nfs/dbraw/zinc/54/19/53/569541953.db2.gz BXJGEGPYXGKKQM-UHFFFAOYSA-N 0 0 444.503 4.724 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(Cl)cc1 ZINC000009507363 569542034 /nfs/dbraw/zinc/54/20/34/569542034.db2.gz QBVWKEKLRHQCJU-UHFFFAOYSA-N 0 0 440.878 4.667 50 0 IJAARN Cc1ccc2nc(CSc3nc4ccccc4n3CCc3ccccc3)cc(=O)n2c1 ZINC000009509186 569542492 /nfs/dbraw/zinc/54/24/92/569542492.db2.gz HOSDDWQJYNYXRC-UHFFFAOYSA-N 0 0 426.545 4.888 50 0 IJAARN COc1cc(OC)c(C(=O)O[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1OC ZINC000009509875 569542643 /nfs/dbraw/zinc/54/26/43/569542643.db2.gz LNMOYLFEEYHTDZ-DEOSSOPVSA-N 0 0 449.503 4.866 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 ZINC000009510744 569542810 /nfs/dbraw/zinc/54/28/10/569542810.db2.gz GNVLITCQSAQWHO-UHFFFAOYSA-N 0 0 443.540 4.997 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000009514410 569543191 /nfs/dbraw/zinc/54/31/91/569543191.db2.gz KNDAVOQTUOSCRO-NRFANRHFSA-N 0 0 447.589 4.734 50 0 IJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C)cc2Br)c1C ZINC000009514772 569543271 /nfs/dbraw/zinc/54/32/71/569543271.db2.gz MNUUQDCEURXPEW-UHFFFAOYSA-N 0 0 441.325 4.972 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009516116 569543444 /nfs/dbraw/zinc/54/34/44/569543444.db2.gz LQORVONBHVLMBO-UHFFFAOYSA-N 0 0 443.985 4.719 50 0 IJAARN O=C(Cn1cc(C(=O)C(=O)Nc2cccc3ccccc32)c2ccccc21)N1CCCCC1 ZINC000009519452 569544317 /nfs/dbraw/zinc/54/43/17/569544317.db2.gz CYAJZKBROLTSLX-UHFFFAOYSA-N 0 0 439.515 4.628 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCC3)c(NC(=O)Nc3ccccc3)c2)c1 ZINC000009527813 569544623 /nfs/dbraw/zinc/54/46/23/569544623.db2.gz GCVIRARPXIYQFF-UHFFFAOYSA-N 0 0 444.535 4.869 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)c(C)c1 ZINC000009529256 569544761 /nfs/dbraw/zinc/54/47/61/569544761.db2.gz KJKNAMYMVQOBNG-UHFFFAOYSA-N 0 0 429.973 4.733 50 0 IJAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]CCc3ccccc3OC)c2C(=O)[O-])cc1 ZINC000009531473 569545140 /nfs/dbraw/zinc/54/51/40/569545140.db2.gz YSXQKEKKHRQSAV-UHFFFAOYSA-N 0 0 444.531 4.737 50 0 IJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009538213 569545600 /nfs/dbraw/zinc/54/56/00/569545600.db2.gz ULGIBYWHHCNSEG-UHFFFAOYSA-N 0 0 425.488 4.952 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H]5CCCC[C@@H]54)c(=O)c23)s1 ZINC000009537282 569545604 /nfs/dbraw/zinc/54/56/04/569545604.db2.gz ZEMQJXGEXVGUJT-WBVHZDCISA-N 0 0 427.595 4.676 50 0 IJAARN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000009539593 569545680 /nfs/dbraw/zinc/54/56/80/569545680.db2.gz LYTDSGIOECYBPQ-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000009539804 569545686 /nfs/dbraw/zinc/54/56/86/569545686.db2.gz DAJIOAJIRMMUHK-MRXNPFEDSA-N 0 0 443.347 4.991 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009545243 569546061 /nfs/dbraw/zinc/54/60/61/569546061.db2.gz DNNXZZJUHJUABW-UHFFFAOYSA-N 0 0 449.557 4.801 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1N ZINC000009545063 569546085 /nfs/dbraw/zinc/54/60/85/569546085.db2.gz CXJUBQJJFVLMQS-UHFFFAOYSA-N 0 0 429.958 4.566 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnc2)cc1 ZINC000009546104 569546259 /nfs/dbraw/zinc/54/62/59/569546259.db2.gz YRHDKLQXGWWGRN-CQSZACIVSA-N 0 0 439.928 4.545 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(C)c2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559009 569546883 /nfs/dbraw/zinc/54/68/83/569546883.db2.gz APTLBAUOXRNDSP-UHFFFAOYSA-N 0 0 426.538 4.615 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cc(C)cc(C)c2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009558993 569546885 /nfs/dbraw/zinc/54/68/85/569546885.db2.gz GJWVOTURWFAKSC-UHFFFAOYSA-N 0 0 440.565 4.924 50 0 IJAARN CCCCCn1nc(C(=O)OCC(=O)Nc2ccccc2[C@H](C)CC)c2ccccc2c1=O ZINC000009561769 569547181 /nfs/dbraw/zinc/54/71/81/569547181.db2.gz IWODFJPKXPSSAN-GOSISDBHSA-N 0 0 449.551 4.896 50 0 IJAARN CCC[C@@H](C)NC(=O)Cn1c2ccccc2nc1[C@@H](CC(C)C)NC(=O)c1ccccc1 ZINC000009562807 569547350 /nfs/dbraw/zinc/54/73/50/569547350.db2.gz MYEHDGAIXSGQCO-DENIHFKCSA-N 0 0 434.584 4.858 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)cc1 ZINC000009562932 569547367 /nfs/dbraw/zinc/54/73/67/569547367.db2.gz BJIGLBFJGOTQLD-UHFFFAOYSA-N 0 0 436.581 4.874 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009569034 569547558 /nfs/dbraw/zinc/54/75/58/569547558.db2.gz PELMYCQJUGRIKF-UHFFFAOYSA-N 0 0 447.347 4.502 50 0 IJAARN O=C(c1ccco1)N1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000009579077 569548424 /nfs/dbraw/zinc/54/84/24/569548424.db2.gz YBPMKAYOVOWECR-UHFFFAOYSA-N 0 0 443.528 4.668 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000009583297 569549291 /nfs/dbraw/zinc/54/92/91/569549291.db2.gz JLNCBZURYOAAOT-KRWDZBQOSA-N 0 0 425.579 4.574 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2Br)c(C)c1 ZINC000009584384 569549395 /nfs/dbraw/zinc/54/93/95/569549395.db2.gz KNAIFVMPJOIEEB-IBGZPJMESA-N 0 0 438.329 4.585 50 0 IJAARN Cc1ccccc1-n1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1-c1cccnc1 ZINC000009584663 569549443 /nfs/dbraw/zinc/54/94/43/569549443.db2.gz VVDQTJPNLCUHAA-UHFFFAOYSA-N 0 0 442.500 4.742 50 0 IJAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000009586611 569549758 /nfs/dbraw/zinc/54/97/58/569549758.db2.gz RNTFJOIKOGNBCS-VGSWGCGISA-N 0 0 440.465 4.924 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000009595357 569550682 /nfs/dbraw/zinc/55/06/82/569550682.db2.gz WUTKIHFUBSBBJS-UHFFFAOYSA-N 0 0 446.620 4.777 50 0 IJAARN COc1ccc(C(=O)N2c3ccccc3N3C(c4c(C)c(C)cc(C)c4C)=NON23)cc1 ZINC000009600715 569551553 /nfs/dbraw/zinc/55/15/53/569551553.db2.gz KGHDDMHTWNZDJL-UHFFFAOYSA-N 0 0 428.492 4.835 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc4c(c3)CCC4)nc2n1 ZINC000009603248 569551783 /nfs/dbraw/zinc/55/17/83/569551783.db2.gz BGFSUJOMOKLYSD-UHFFFAOYSA-N 0 0 429.549 4.774 50 0 IJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C1=O ZINC000009609285 569552302 /nfs/dbraw/zinc/55/23/02/569552302.db2.gz KPAZSVATCSVKHI-HSZRJFAPSA-N 0 0 432.867 4.510 50 0 IJAARN Clc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2C[C@@H]2CCCO2)cc1 ZINC000009609699 569552382 /nfs/dbraw/zinc/55/23/82/569552382.db2.gz PYAVHEUOHFIRSJ-HNNXBMFYSA-N 0 0 443.916 4.713 50 0 IJAARN COc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)c1 ZINC000009609773 569552437 /nfs/dbraw/zinc/55/24/37/569552437.db2.gz XPHMNBOKMFRNIL-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000009609805 569552438 /nfs/dbraw/zinc/55/24/38/569552438.db2.gz CVEFVGSPVGLZNO-UHFFFAOYSA-N 0 0 432.501 4.677 50 0 IJAARN COc1cc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc(OC)c1 ZINC000009610247 569552454 /nfs/dbraw/zinc/55/24/54/569552454.db2.gz WOHUDWYSJXKDCA-UHFFFAOYSA-N 0 0 430.508 4.520 50 0 IJAARN CCCCCCNC(=O)CCc1c(C)nc2cc(-c3ccc(OC)cc3OC)nn2c1C ZINC000009610048 569552476 /nfs/dbraw/zinc/55/24/76/569552476.db2.gz XHAXNAGUPUMUHV-UHFFFAOYSA-N 0 0 438.572 4.659 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1C ZINC000009610735 569552582 /nfs/dbraw/zinc/55/25/82/569552582.db2.gz RXWCHKVXHFRWJA-UHFFFAOYSA-N 0 0 429.447 4.765 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000009610752 569552630 /nfs/dbraw/zinc/55/26/30/569552630.db2.gz ZRSBJRDIGPXODD-UHFFFAOYSA-N 0 0 441.483 4.717 50 0 IJAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000009622979 569553518 /nfs/dbraw/zinc/55/35/18/569553518.db2.gz VBKJBUAMBVNKJV-UHFFFAOYSA-N 0 0 443.546 4.636 50 0 IJAARN CCOc1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)sc2c1 ZINC000009627786 569553537 /nfs/dbraw/zinc/55/35/37/569553537.db2.gz PVAILRZAVCSHEU-UHFFFAOYSA-N 0 0 438.534 4.585 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)c1ccc[nH]1 ZINC000009632443 569554025 /nfs/dbraw/zinc/55/40/25/569554025.db2.gz QFHRCLKDSPUHQK-UHFFFAOYSA-N 0 0 439.537 4.768 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000009632773 569554070 /nfs/dbraw/zinc/55/40/70/569554070.db2.gz RJWGAZBYHDIEQE-UHFFFAOYSA-N 0 0 446.894 4.692 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccnc1 ZINC000009632985 569554135 /nfs/dbraw/zinc/55/41/35/569554135.db2.gz ZCDLFNPSKHFWTH-IMFGXOCKSA-N 0 0 435.597 4.671 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(COc4ccccc4)cc3)sc2c1 ZINC000009633156 569554202 /nfs/dbraw/zinc/55/42/02/569554202.db2.gz JYWFGHKHXBZAPF-UHFFFAOYSA-N 0 0 438.530 4.531 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000009640131 569555307 /nfs/dbraw/zinc/55/53/07/569555307.db2.gz GCKYPEZFLZFQIO-MRXNPFEDSA-N 0 0 435.534 4.596 50 0 IJAARN Clc1cccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCCC2)c1 ZINC000009644950 569556102 /nfs/dbraw/zinc/55/61/02/569556102.db2.gz ZRFVHBRYHDZSTJ-UHFFFAOYSA-N 0 0 438.944 4.863 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)cc2NC1=O ZINC000009647133 569556415 /nfs/dbraw/zinc/55/64/15/569556415.db2.gz GGXAWBTYUOMHOH-CQSZACIVSA-N 0 0 430.489 4.573 50 0 IJAARN COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009660325 569556776 /nfs/dbraw/zinc/55/67/76/569556776.db2.gz LKYMMNHXOUOSEK-UHFFFAOYSA-N 0 0 427.460 4.594 50 0 IJAARN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(Br)cc1F ZINC000009664488 569557434 /nfs/dbraw/zinc/55/74/34/569557434.db2.gz KTVMDQUYAGDCPA-UHFFFAOYSA-N 0 0 432.698 4.516 50 0 IJAARN COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)coc2c1 ZINC000009664920 569557482 /nfs/dbraw/zinc/55/74/82/569557482.db2.gz UUQCMEJORQHDLZ-UHFFFAOYSA-N 0 0 441.789 4.838 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000009665776 569557587 /nfs/dbraw/zinc/55/75/87/569557587.db2.gz BKYUUBGZSPZTDO-UHFFFAOYSA-N 0 0 443.532 4.763 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000009667993 569557929 /nfs/dbraw/zinc/55/79/29/569557929.db2.gz IJAZJKJCYWUICG-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 ZINC000009669708 569558137 /nfs/dbraw/zinc/55/81/37/569558137.db2.gz IFDCOXCFELMEHF-UHFFFAOYSA-N 0 0 425.488 4.986 50 0 IJAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000009671524 569558564 /nfs/dbraw/zinc/55/85/64/569558564.db2.gz PZJGECSNWSKOGW-UHFFFAOYSA-N 0 0 437.297 4.562 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009671766 569558645 /nfs/dbraw/zinc/55/86/45/569558645.db2.gz ZBTNBOICNBTLPU-UHFFFAOYSA-N 0 0 427.460 4.720 50 0 IJAARN O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1n[nH]c(=O)c2ccccc21 ZINC000009671939 569558674 /nfs/dbraw/zinc/55/86/74/569558674.db2.gz GMISWMPLEGMYMT-UHFFFAOYSA-N 0 0 441.516 4.659 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n1-c1ccccc1 ZINC000009672431 569558770 /nfs/dbraw/zinc/55/87/70/569558770.db2.gz XDUDJAZBXNYRDI-QGZVFWFLSA-N 0 0 449.605 4.684 50 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569561401 /nfs/dbraw/zinc/56/14/01/569561401.db2.gz NQGAKQKAERUIES-CYBMUJFWSA-N 0 0 425.901 4.695 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000009712662 569562321 /nfs/dbraw/zinc/56/23/21/569562321.db2.gz KDMOHENCXAAJFO-UHFFFAOYSA-N 0 0 427.334 4.773 50 0 IJAARN CCOc1ccc(CN(CC)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC ZINC000009713354 569562606 /nfs/dbraw/zinc/56/26/06/569562606.db2.gz YXAPIMLWEXGTII-UHFFFAOYSA-N 0 0 436.508 4.910 50 0 IJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000009724387 569563703 /nfs/dbraw/zinc/56/37/03/569563703.db2.gz ZSQHTEGXWBJLBN-UHFFFAOYSA-N 0 0 443.528 4.864 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000009725670 569563842 /nfs/dbraw/zinc/56/38/42/569563842.db2.gz CYLCSPUJAABGBQ-UHFFFAOYSA-N 0 0 430.533 4.698 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1-c1ccccc1 ZINC000009725970 569563877 /nfs/dbraw/zinc/56/38/77/569563877.db2.gz GOBPXCAFUYFJQX-UHFFFAOYSA-N 0 0 430.533 4.513 50 0 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O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009789357 569568144 /nfs/dbraw/zinc/56/81/44/569568144.db2.gz YPAGYOGHYPKDRQ-UHFFFAOYSA-N 0 0 438.524 4.848 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000009811834 569569056 /nfs/dbraw/zinc/56/90/56/569569056.db2.gz UZMACNAHGSUSRA-WMZOPIPTSA-N 0 0 439.943 4.624 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2ccc(F)cc2)cc1=O ZINC000009816099 569569209 /nfs/dbraw/zinc/56/92/09/569569209.db2.gz MUSSSUAGYSOJPV-UHFFFAOYSA-N 0 0 446.931 4.889 50 0 IJAARN CCc1ccc(Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2S(=O)(=O)CC)cc1 ZINC000009824718 569569600 /nfs/dbraw/zinc/56/96/00/569569600.db2.gz OFFLBJLOLKKGJO-UHFFFAOYSA-N 0 0 432.542 4.800 50 0 IJAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000009823924 569569607 /nfs/dbraw/zinc/56/96/07/569569607.db2.gz OZRWSHANUTZGDY-UHFFFAOYSA-N 0 0 439.302 4.957 50 0 IJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3CC)s2)cc1 ZINC000009832503 569570280 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569574565 /nfs/dbraw/zinc/57/45/65/569574565.db2.gz COFRANXOKODJEI-HNNXBMFYSA-N 0 0 447.516 4.528 50 0 IJAARN C[C@@]12Oc3ccccc3[C@@H](NC(=O)N1c1ccccc1)[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000071326291 569574831 /nfs/dbraw/zinc/57/48/31/569574831.db2.gz ACJXSOMDIHGAJG-IMSXRSKXSA-N 0 0 433.895 4.974 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)c(OC)c1 ZINC000009959303 569575104 /nfs/dbraw/zinc/57/51/04/569575104.db2.gz XYARCUAKPMNKKF-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 ZINC000071327606 569575350 /nfs/dbraw/zinc/57/53/50/569575350.db2.gz SSOAYBFPGVAZFH-UHFFFAOYSA-N 0 0 438.530 4.536 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2OC)o1 ZINC000009960773 569575416 /nfs/dbraw/zinc/57/54/16/569575416.db2.gz DFHAEBIUIRLKAZ-UHFFFAOYSA-N 0 0 427.507 4.676 50 0 IJAARN O=c1c2ccc(Cl)cc2nc(SCCOc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000009962320 569575635 /nfs/dbraw/zinc/57/56/35/569575635.db2.gz QAEATRBMWHOZNL-QGZVFWFLSA-N 0 0 434.920 4.539 50 0 IJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009963010 569575744 /nfs/dbraw/zinc/57/57/44/569575744.db2.gz OZCJQJDOAMFTJV-UHFFFAOYSA-N 0 0 442.924 4.965 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3)n2C(C)C)cc1 ZINC000009963714 569575874 /nfs/dbraw/zinc/57/58/74/569575874.db2.gz BVIPHMDTHJJIMV-UHFFFAOYSA-N 0 0 444.988 4.639 50 0 IJAARN COc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000009969415 569576110 /nfs/dbraw/zinc/57/61/10/569576110.db2.gz UWXICIQGRJQZLN-UHFFFAOYSA-N 0 0 439.943 4.669 50 0 IJAARN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)Nc1ccc2c(c1)OCCO2 ZINC000009970160 569576142 /nfs/dbraw/zinc/57/61/42/569576142.db2.gz BQQRBNQZIPBGCK-QHCPKHFHSA-N 0 0 446.528 4.667 50 0 IJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)c1 ZINC000009970155 569576187 /nfs/dbraw/zinc/57/61/87/569576187.db2.gz MAEJJMWIARIQTB-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009970904 569576233 /nfs/dbraw/zinc/57/62/33/569576233.db2.gz PAIBDTSJQSBQLA-VXGBXAGGSA-N 0 0 435.471 4.801 50 0 IJAARN Cc1cc2c(nc(SCC(=O)Nc3ccc(C)cc3C)n(Cc3ccco3)c2=O)s1 ZINC000009970679 569576234 /nfs/dbraw/zinc/57/62/34/569576234.db2.gz WOXUSABOAIBACB-UHFFFAOYSA-N 0 0 439.562 4.755 50 0 IJAARN Cc1cc2c(nc(SCC(=O)Nc3ccc(C)c(C)c3)n(Cc3ccco3)c2=O)s1 ZINC000009970681 569576238 /nfs/dbraw/zinc/57/62/38/569576238.db2.gz OGKGJFQSBNNUTD-UHFFFAOYSA-N 0 0 439.562 4.755 50 0 IJAARN Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000009971982 569576331 /nfs/dbraw/zinc/57/63/31/569576331.db2.gz MUOWZVQPRRPKDO-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN c1ccc(Cn2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2cccnc2)cc1 ZINC000009980542 569576413 /nfs/dbraw/zinc/57/64/13/569576413.db2.gz OXFIDKQABCBRCQ-UHFFFAOYSA-N 0 0 426.505 4.731 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(Cc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000010013067 569577063 /nfs/dbraw/zinc/57/70/63/569577063.db2.gz JSVQMTPHDBRQIP-UHFFFAOYSA-N 0 0 443.572 4.875 50 0 IJAARN COc1ccc([C@H](NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128699 569578034 /nfs/dbraw/zinc/57/80/34/569578034.db2.gz DCMKUKOOWBVXTO-ATIYNZHBSA-N 0 0 438.568 4.507 50 0 IJAARN Cc1cccc(-c2nc(CCNS(=O)(=O)c3cc(Cl)ccc3Cl)cs2)c1 ZINC000010166148 569578183 /nfs/dbraw/zinc/57/81/83/569578183.db2.gz QFQJJLQANCGQRM-UHFFFAOYSA-N 0 0 427.378 4.946 50 0 IJAARN COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)c(OC)c2)c2ccccc2)c1 ZINC000010184740 569578318 /nfs/dbraw/zinc/57/83/18/569578318.db2.gz BGQFQDWMFITEEV-VWLOTQADSA-N 0 0 445.519 4.623 50 0 IJAARN O=C([C@H]1COc2ccccc2O1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000010187634 569578630 /nfs/dbraw/zinc/57/86/30/569578630.db2.gz KVGQZNZGKBFXFN-LJQANCHMSA-N 0 0 437.908 4.718 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc21 ZINC000010187675 569578634 /nfs/dbraw/zinc/57/86/34/569578634.db2.gz BAKPUXJXDFGSGZ-UHFFFAOYSA-N 0 0 449.532 4.711 50 0 IJAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)s2)c1C ZINC000010211167 569578988 /nfs/dbraw/zinc/57/89/88/569578988.db2.gz LYVNGBASOQCGRJ-AWEZNQCLSA-N 0 0 442.566 4.789 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(C)c(C)c3)=NN12 ZINC000010214624 569579143 /nfs/dbraw/zinc/57/91/43/569579143.db2.gz NSPKXGRKKPYFID-JOCHJYFZSA-N 0 0 449.551 4.804 50 0 IJAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000010250778 569579787 /nfs/dbraw/zinc/57/97/87/569579787.db2.gz NLBNRVPBECNKHA-UHFFFAOYSA-N 0 0 438.867 4.886 50 0 IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000010253199 569579902 /nfs/dbraw/zinc/57/99/02/569579902.db2.gz DIPMDHHOVJHXAC-UHFFFAOYSA-N 0 0 429.350 4.578 50 0 IJAARN O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000010289280 569580506 /nfs/dbraw/zinc/58/05/06/569580506.db2.gz BTEVGFVCVHZYSJ-AWEZNQCLSA-N 0 0 446.878 4.555 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccccc4C)no3)c(C)c2c1 ZINC000071761896 569580643 /nfs/dbraw/zinc/58/06/43/569580643.db2.gz FSZWQRLVPWQXTF-UHFFFAOYSA-N 0 0 425.510 4.797 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337038 569581174 /nfs/dbraw/zinc/58/11/74/569581174.db2.gz UZCVFKYSSPHPOG-VXKWHMMOSA-N 0 0 428.883 4.590 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000010441593 569582205 /nfs/dbraw/zinc/58/22/05/569582205.db2.gz VIGYTNYDMRBFFF-INIZCTEOSA-N 0 0 443.519 4.547 50 0 IJAARN COc1cc(-c2nc(CC(=O)Nc3nc4ccccc4s3)cs2)cc(OC)c1OC ZINC000013735395 569584194 /nfs/dbraw/zinc/58/41/94/569584194.db2.gz MBADAEYHQHKOQL-UHFFFAOYSA-N 0 0 441.534 4.627 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2C)cc1 ZINC000003657630 569584675 /nfs/dbraw/zinc/58/46/75/569584675.db2.gz FEBCEFRBBZOSBA-VXKWHMMOSA-N 0 0 443.528 4.854 50 0 IJAARN O=C(OC1CN(c2nc3c(cccc3C(F)(F)F)s2)C1)c1nc2ccccc2s1 ZINC000077101449 569585575 /nfs/dbraw/zinc/58/55/75/569585575.db2.gz WHJHRKYSSXWBKG-UHFFFAOYSA-N 0 0 435.452 4.970 50 0 IJAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177415 569585821 /nfs/dbraw/zinc/58/58/21/569585821.db2.gz SFPFRFLKNLOFOK-MRXNPFEDSA-N 0 0 433.512 4.754 50 0 IJAARN COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccccc4SC)CC3)ncn2)cc1 ZINC000077191864 569585997 /nfs/dbraw/zinc/58/59/97/569585997.db2.gz PQJPKMWYFJPJJE-UHFFFAOYSA-N 0 0 434.565 4.729 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(CCC(=O)NCCC5=CCCCC5)n4ccn3n2)cc1C ZINC000033262359 569587422 /nfs/dbraw/zinc/58/74/22/569587422.db2.gz HHQYMYVPEGGCHW-UHFFFAOYSA-N 0 0 442.567 4.600 50 0 IJAARN C#CCOc1ccc2ccccc2c1C=C1SC(Nc2ccc(C(=O)OC)cc2)=NC1=O ZINC000033347728 569587469 /nfs/dbraw/zinc/58/74/69/569587469.db2.gz PAMGKVAIVQWUQG-PXLXIMEGSA-N 0 0 442.496 4.721 50 0 IJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000008788947 291389772 /nfs/dbraw/zinc/38/97/72/291389772.db2.gz SEAWKEDAGUOXED-WAJRLTDCSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000008788951 291389820 /nfs/dbraw/zinc/38/98/20/291389820.db2.gz SEAWKEDAGUOXED-OSQWTAMSSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000634284 193865317 /nfs/dbraw/zinc/86/53/17/193865317.db2.gz NAAVZVJKBORGRQ-UHFFFAOYSA-N 0 0 436.291 4.834 50 0 IJAARN COc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(=O)n2-c2ccccc2)cc1 ZINC000000636618 193866088 /nfs/dbraw/zinc/86/60/88/193866088.db2.gz FRHLWMVNMMVTPG-UHFFFAOYSA-N 0 0 428.513 4.883 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1OC(F)F)n2CC ZINC000006286723 193895925 /nfs/dbraw/zinc/89/59/25/193895925.db2.gz JIXLJKPZYTVXLW-UHFFFAOYSA-N 0 0 449.479 4.565 50 0 IJAARN CCOc1cc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)ccc1OC ZINC000019787489 193918717 /nfs/dbraw/zinc/91/87/17/193918717.db2.gz FHDGCDWHEKJIQH-UHFFFAOYSA-N 0 0 430.548 4.719 50 0 IJAARN CCOc1ccc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OC ZINC000050647377 193922333 /nfs/dbraw/zinc/92/23/33/193922333.db2.gz NEXXXQNXROTTNE-KQWNVCNZSA-N 0 0 434.517 4.942 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000096276995 193952836 /nfs/dbraw/zinc/95/28/36/193952836.db2.gz YFIGLIZATXDGAI-OAQYLSRUSA-N 0 0 433.895 4.869 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CCc3nc4ccccc4n3-c3ccccc3)CC2)c1C ZINC000009562522 132233641 /nfs/dbraw/zinc/23/36/41/132233641.db2.gz VIVURHQNLQNSSA-UHFFFAOYSA-N 0 0 438.575 4.924 50 0 IJAARN COc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1 ZINC000000984210 132236765 /nfs/dbraw/zinc/23/67/65/132236765.db2.gz NOINQIQOKCGVPO-UHFFFAOYSA-N 0 0 439.880 4.925 50 0 aggregator IJAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001185034 132238846 /nfs/dbraw/zinc/23/88/46/132238846.db2.gz DSCGQURKLGNFIC-UHFFFAOYSA-N 0 0 429.731 4.809 50 0 IJAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000001206993 132239678 /nfs/dbraw/zinc/23/96/78/132239678.db2.gz NXXCDFUTGQLYLE-GOSISDBHSA-N 0 0 431.355 4.722 50 0 IJAARN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCOCC2)cc1 ZINC000001447613 132245598 /nfs/dbraw/zinc/24/55/98/132245598.db2.gz GFCYTDAJZQKPAD-UHFFFAOYSA-N 0 0 435.325 4.687 50 0 IJAARN Cc1ccc2[nH]c3c(ncnc3N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000002288433 132251286 /nfs/dbraw/zinc/25/12/86/132251286.db2.gz MRWBBEPSLVIWHU-UHFFFAOYSA-N 0 0 426.442 4.926 50 0 IJAARN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(F)cc4)CC3)c3ccccc32)cc1 ZINC000002421980 132254186 /nfs/dbraw/zinc/25/41/86/132254186.db2.gz TWEVKPQLSHAUHW-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)c1 ZINC000002924452 132258923 /nfs/dbraw/zinc/25/89/23/132258923.db2.gz IWEYAQRDJYZKOP-CYBMUJFWSA-N 0 0 440.569 4.956 50 0 IJAARN O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCc2ccccc21 ZINC000003283826 132263081 /nfs/dbraw/zinc/26/30/81/132263081.db2.gz LTOZGTYPJNMMAC-UHFFFAOYSA-N 0 0 430.529 4.812 50 0 IJAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)N1c2ccccc2Sc2ccccc21 ZINC000003288610 132263300 /nfs/dbraw/zinc/26/33/00/132263300.db2.gz SGJROZYYZNVHDE-UHFFFAOYSA-N 0 0 429.453 4.779 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2oc1-c1ccccc1 ZINC000003477638 132265791 /nfs/dbraw/zinc/26/57/91/132265791.db2.gz RLVNDLIXKDRYLA-UHFFFAOYSA-N 0 0 442.490 4.870 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21 ZINC000003585812 132266394 /nfs/dbraw/zinc/26/63/94/132266394.db2.gz XUXQXHTVXOEAGJ-HLNOYYKJSA-N 0 0 444.506 4.730 50 0 IJAARN O=C(NC1CCCCC1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670256 132267466 /nfs/dbraw/zinc/26/74/66/132267466.db2.gz MEWZLKBYUGHMEV-NRFANRHFSA-N 0 0 434.323 4.640 50 0 IJAARN C[C@H](C(=O)NC1CCCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000005022108 132274886 /nfs/dbraw/zinc/27/48/86/132274886.db2.gz DRUIUQOXDMYHIK-AOMKIAJQSA-N 0 0 426.557 4.918 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)CC2)cc1 ZINC000006613597 132277969 /nfs/dbraw/zinc/27/79/69/132277969.db2.gz YFSMHWDYXFIKPG-UHFFFAOYSA-N 0 0 427.548 4.827 50 0 IJAARN CCCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000006740564 132278695 /nfs/dbraw/zinc/27/86/95/132278695.db2.gz ARTCSNKJOOSJDK-UHFFFAOYSA-N 0 0 428.580 4.800 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(N4CCC(C)CC4)cc3)c2)on1 ZINC000006887755 132279991 /nfs/dbraw/zinc/27/99/91/132279991.db2.gz HSPGTMXASVFOQC-UHFFFAOYSA-N 0 0 425.554 4.996 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C2CCCC2)c1C ZINC000007178876 132280241 /nfs/dbraw/zinc/28/02/41/132280241.db2.gz LHXQPUUJMCPNKJ-MRXNPFEDSA-N 0 0 426.586 4.860 50 0 IJAARN CCc1ccccc1NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000008588431 132283020 /nfs/dbraw/zinc/28/30/20/132283020.db2.gz CSUAVPACSYKJNH-INIZCTEOSA-N 0 0 441.959 4.960 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccc(C)cc43)CC2)cc1 ZINC000008588587 132283238 /nfs/dbraw/zinc/28/32/38/132283238.db2.gz HRYUIGDFMZUSKQ-QHCPKHFHSA-N 0 0 449.595 4.683 50 0 IJAARN C[C@@H](NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccccc1 ZINC000008594759 132284621 /nfs/dbraw/zinc/28/46/21/132284621.db2.gz OCGHKZBKSBSPQT-QGZVFWFLSA-N 0 0 432.549 4.646 50 0 IJAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000008595213 132284821 /nfs/dbraw/zinc/28/48/21/132284821.db2.gz KJTSKCARDGFWDT-UHFFFAOYSA-N 0 0 442.490 4.870 50 0 IJAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc21 ZINC000008596148 132285116 /nfs/dbraw/zinc/28/51/16/132285116.db2.gz BDPHEFBBMAQPKK-UHFFFAOYSA-N 0 0 438.503 4.542 50 0 IJAARN COc1cccc(N2CCN(C(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1 ZINC000008602187 132286619 /nfs/dbraw/zinc/28/66/19/132286619.db2.gz CRKUMDYOOXTMKJ-UHFFFAOYSA-N 0 0 431.561 4.727 50 0 IJAARN CC(C)CNC(=O)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008759060 132293537 /nfs/dbraw/zinc/29/35/37/132293537.db2.gz PMHRVSLLXZSXSP-GOSISDBHSA-N 0 0 437.971 4.837 50 0 IJAARN CCOc1ccc2c(c1)N=C(c1ccc(N3CCOCC3)cc1)NC(c1cccs1)=N2 ZINC000009185215 132307702 /nfs/dbraw/zinc/30/77/02/132307702.db2.gz RKEGLPYJNXAMCY-UHFFFAOYSA-N 0 0 432.549 4.934 50 0 IJAARN CCCN(C(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)c1ccccc1C ZINC000009211174 132308976 /nfs/dbraw/zinc/30/89/76/132308976.db2.gz HNFKMJYJDNVOIN-HXUWFJFHSA-N 0 0 446.599 4.521 50 0 IJAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009221208 132309445 /nfs/dbraw/zinc/30/94/45/132309445.db2.gz TWJAFCRJWHPRJW-GFCCVEGCSA-N 0 0 445.894 4.710 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)N1CC(=O)Nc2ccccc21 ZINC000009254146 132311171 /nfs/dbraw/zinc/31/11/71/132311171.db2.gz YMIRQLCTDXGUDM-UHFFFAOYSA-N 0 0 444.491 4.513 50 0 IJAARN C[C@@H](Sc1nc2cccc3cccc([nH]1)c32)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009337426 132313970 /nfs/dbraw/zinc/31/39/70/132313970.db2.gz KXSRHMHFTYMOOR-MRXNPFEDSA-N 0 0 432.549 4.672 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000009405834 132315016 /nfs/dbraw/zinc/31/50/16/132315016.db2.gz XORSYOKHKRQKQV-IAGOWNOFSA-N 0 0 441.959 4.637 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC1)C[C@@H](C)O2 ZINC000009405919 132315299 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IJAARN CC(C)N(C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C)C(C)C ZINC000012897134 519559076 /nfs/dbraw/zinc/55/90/76/519559076.db2.gz NLMYWXVLXZUMHH-UHFFFAOYSA-N 0 0 433.574 4.539 50 0 IJAARN CC(=O)N1N=C(c2cccc(C)n2)O[C@@H]1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000021092811 519638572 /nfs/dbraw/zinc/63/85/72/519638572.db2.gz IKLMNSOUQLCRLV-HSZRJFAPSA-N 0 0 434.883 4.535 50 0 IJAARN CC(C)CCNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000035512356 519655359 /nfs/dbraw/zinc/65/53/59/519655359.db2.gz WADWKQGHKLRNES-UHFFFAOYSA-N 0 0 429.358 4.895 50 0 IJAARN CC(C)CNC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010033 519741310 /nfs/dbraw/zinc/74/13/10/519741310.db2.gz MTZYWAJIYIUZSD-MRXNPFEDSA-N 0 0 441.384 4.570 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000035684932 519743628 /nfs/dbraw/zinc/74/36/28/519743628.db2.gz WZIYSIHQPFWAEY-SFHVURJKSA-N 0 0 437.887 4.642 50 0 IJAARN CC(C)[C@@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)c1cccs1 ZINC000032995438 519796926 /nfs/dbraw/zinc/79/69/26/519796926.db2.gz ILVCTHGOFLWEGA-LJQANCHMSA-N 0 0 446.573 4.827 50 0 IJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000034887493 519825733 /nfs/dbraw/zinc/82/57/33/519825733.db2.gz UVEBXGYMPQSVNE-GPMSIDNRSA-N 0 0 428.495 4.580 50 0 IJAARN CC(C)c1ccc(-n2c(=O)c(C(=O)NCCc3cccs3)cc3c2CCCC3=O)cc1 ZINC000033126890 519834105 /nfs/dbraw/zinc/83/41/05/519834105.db2.gz INSCCAOGHHZQPU-UHFFFAOYSA-N 0 0 434.561 4.514 50 0 IJAARN CC(C)c1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000682012 519836692 /nfs/dbraw/zinc/83/66/92/519836692.db2.gz CRXBTAWIUPPYTH-UHFFFAOYSA-N 0 0 436.577 4.664 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(F)ccc32)cc1 ZINC000035535130 519837275 /nfs/dbraw/zinc/83/72/75/519837275.db2.gz MANKFMPZMSUKMT-UHFFFAOYSA-N 0 0 443.478 4.529 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000021940148 519838471 /nfs/dbraw/zinc/83/84/71/519838471.db2.gz 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CCOCCOC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)c(OC)c1)CC2 ZINC000012693873 519976005 /nfs/dbraw/zinc/97/60/05/519976005.db2.gz KAAYSXPMBJXSSK-SDXDJHTJSA-N 0 0 433.504 4.932 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccc(OC)c(OC)c2)oc1NCc1ccccc1 ZINC000012062690 520242982 /nfs/dbraw/zinc/24/29/82/520242982.db2.gz IXFDALGIONPMEJ-UHFFFAOYSA-N 0 0 446.440 4.862 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 ZINC000012137863 520337400 /nfs/dbraw/zinc/33/74/00/520337400.db2.gz FIGKUHIEMGYWMA-UHFFFAOYSA-N 0 0 438.549 4.943 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(Br)cc1F ZINC000012778444 520355875 /nfs/dbraw/zinc/35/58/75/520355875.db2.gz NHAJTGVNILQYCK-UHFFFAOYSA-N 0 0 427.701 4.651 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccco1 ZINC000036051302 520370662 /nfs/dbraw/zinc/37/06/62/520370662.db2.gz YDAZHTUFZXDWIC-UHFFFAOYSA-N 0 0 442.519 4.850 50 0 IJAARN CCCOc1ccccc1NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012751081 520477422 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50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000016749763 520778951 /nfs/dbraw/zinc/77/89/51/520778951.db2.gz SFQPSBJEJMAMBL-XMMPIXPASA-N 0 0 441.483 4.685 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000021043899 520798307 /nfs/dbraw/zinc/79/83/07/520798307.db2.gz IGGCANNXNPMEBE-LJQANCHMSA-N 0 0 446.931 4.832 50 0 IJAARN CCOc1ccc(-c2nc(SCC(=O)c3ccc(OC)c(Br)c3)n[nH]2)cc1 ZINC000020899874 520813386 /nfs/dbraw/zinc/81/33/86/520813386.db2.gz GKRODGLUQXHJME-UHFFFAOYSA-N 0 0 448.342 4.617 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)cc1OC ZINC000020673029 520813844 /nfs/dbraw/zinc/81/38/44/520813844.db2.gz GSWPCXFWRFTGDT-UHFFFAOYSA-N 0 0 444.578 4.597 50 0 IJAARN C=C1C(NCc2cccc(Br)c2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465865 520840349 /nfs/dbraw/zinc/84/03/49/520840349.db2.gz SLAVGCFWPYCGIZ-UHFFFAOYSA-N 0 0 433.371 4.835 50 0 IJAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N[C@H](C)CC)cc3N(C)C2=O)cc1OC ZINC000020736055 520849804 /nfs/dbraw/zinc/84/98/04/520849804.db2.gz MHWZRMKKGZYESJ-IKMPRTQCSA-N 0 0 440.565 4.732 50 0 IJAARN CCOC(=O)C[C@H](NC(=O)NCc1cccn1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000020995849 520887542 /nfs/dbraw/zinc/88/75/42/520887542.db2.gz QCWPDJGOEUVYEW-QFIPXVFZSA-N 0 0 439.943 4.684 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936363 520893936 /nfs/dbraw/zinc/89/39/36/520893936.db2.gz YQGCIELQCIHSNI-UGSOOPFHSA-N 0 0 440.956 4.859 50 0 IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2C2CCCCC2)CC1 ZINC000021863580 520951515 /nfs/dbraw/zinc/95/15/15/520951515.db2.gz CWAREALUCNAABA-CPHAMLGRSA-N 0 0 437.584 4.990 50 0 IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2C2CCC(C)CC2)CC1 ZINC000021811084 520951886 /nfs/dbraw/zinc/95/18/86/520951886.db2.gz SWOHYKLGYLRDOC-NPUWJEAYSA-N 0 0 425.573 4.722 50 0 IJAARN CCN(CCNC(=O)c1ccc2cnn(Cc3cccc(OC)c3)c2c1)c1cccc(C)c1 ZINC000035560020 521072789 /nfs/dbraw/zinc/07/27/89/521072789.db2.gz UQTGQGDRQULPAB-UHFFFAOYSA-N 0 0 442.563 4.658 50 0 IJAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000035972859 521089322 /nfs/dbraw/zinc/08/93/22/521089322.db2.gz UMKORUAUJDJDEQ-HSZRJFAPSA-N 0 0 449.551 4.899 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](CC)n2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 ZINC000021783484 521102039 /nfs/dbraw/zinc/10/20/39/521102039.db2.gz FMWVNZCRMVYQON-HSZRJFAPSA-N 0 0 431.536 4.778 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)cc2)cc1 ZINC000012739048 521182404 /nfs/dbraw/zinc/18/24/04/521182404.db2.gz WGKBRLSMNJSWPV-UHFFFAOYSA-N 0 0 432.398 4.697 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2cc(-c3ccccc3)on2)Cc2ccco2)cc1 ZINC000015552528 521191352 /nfs/dbraw/zinc/19/13/52/521191352.db2.gz GYRVVQSRCZBOPZ-UHFFFAOYSA-N 0 0 438.505 4.724 50 0 IJAARN CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)N(C)Cc2cccs2)c1 ZINC000012151063 521197515 /nfs/dbraw/zinc/19/75/15/521197515.db2.gz JTLOYFGHEYKLEO-UHFFFAOYSA-N 0 0 446.576 4.846 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530628 521226106 /nfs/dbraw/zinc/22/61/06/521226106.db2.gz UXIGRAZQIJHJRY-JOCHJYFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCC(=O)Nc1nc2ccc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)cc2s1 ZINC000021883043 521231089 /nfs/dbraw/zinc/23/10/89/521231089.db2.gz WQMHXEKTZPVFLP-UHFFFAOYSA-N 0 0 435.509 4.575 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(Cl)ccc3C)N2C1=O ZINC000021643756 521251876 /nfs/dbraw/zinc/25/18/76/521251876.db2.gz GAYVKCKCDVKSLV-QGZVFWFLSA-N 0 0 440.956 4.779 50 0 IJAARN CCOc1ccc([C@H]2CCCN2CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000012596235 521273988 /nfs/dbraw/zinc/27/39/88/521273988.db2.gz AUOVXLCQTAEKPX-SQHAQQRYSA-N 0 0 443.547 4.800 50 0 IJAARN CCOc1ccc2oc(C(=O)NCCCc3nnc(SC)n3C3CCCC3)c(C)c2c1 ZINC000012569345 521309259 /nfs/dbraw/zinc/30/92/59/521309259.db2.gz HHSHHMAPPHVCFQ-UHFFFAOYSA-N 0 0 442.585 4.931 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CC[C@H](C)C3 ZINC000035866381 521312922 /nfs/dbraw/zinc/31/29/22/521312922.db2.gz PFVJOFJDWKKGCA-INIZCTEOSA-N 0 0 438.597 4.714 50 0 IJAARN CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000012918934 521346827 /nfs/dbraw/zinc/34/68/27/521346827.db2.gz WQMVVRARWZENJF-HXUWFJFHSA-N 0 0 448.538 4.888 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CC(C)C)c1C ZINC000036003597 521363451 /nfs/dbraw/zinc/36/34/51/521363451.db2.gz CXKWXDNOWUCRNE-QGZVFWFLSA-N 0 0 430.520 4.593 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccc(Cl)cc2)c(C)n1C ZINC000035992626 521385557 /nfs/dbraw/zinc/38/55/57/521385557.db2.gz WCJHKJUGBPBUQY-UHFFFAOYSA-N 0 0 446.975 4.843 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000012624975 521391617 /nfs/dbraw/zinc/39/16/17/521391617.db2.gz SLBNGRPTXKDEIC-UHFFFAOYSA-N 0 0 447.607 4.766 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000023334470 521425110 /nfs/dbraw/zinc/42/51/10/521425110.db2.gz FOEFTMSWDVENBI-UHFFFAOYSA-N 0 0 435.499 4.652 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)n(-c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000023440411 521425226 /nfs/dbraw/zinc/42/52/26/521425226.db2.gz GWMWSPCRDAKZNJ-UHFFFAOYSA-N 0 0 444.318 4.915 50 0 IJAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000020990093 521490508 /nfs/dbraw/zinc/49/05/08/521490508.db2.gz BQBMSPBAHSJSOX-UHFFFAOYSA-N 0 0 440.565 4.855 50 0 IJAARN CCOc1ccccc1NC(=O)COc1cc(N2CCOCC2)c2ccccc2c1Cl ZINC000001127698 521528231 /nfs/dbraw/zinc/52/82/31/521528231.db2.gz IDVLSPYXHJNBRS-UHFFFAOYSA-N 0 0 440.927 4.746 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1)C(=O)Nc1ccccc1 ZINC000035471565 521540295 /nfs/dbraw/zinc/54/02/95/521540295.db2.gz SMZYEKLNQSKZRO-XMMPIXPASA-N 0 0 434.515 4.503 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C\c1ccc(O)c(OC)c1)c1ccccc1 ZINC000034849418 521544905 /nfs/dbraw/zinc/54/49/05/521544905.db2.gz OGCMSUOXMVQLNE-BZUDVJPZSA-N 0 0 447.487 4.736 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1CC)S2 ZINC000020445703 521573125 /nfs/dbraw/zinc/57/31/25/521573125.db2.gz GJLCHOZKFFWJOZ-VXKWHMMOSA-N 0 0 435.597 4.753 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)n1 ZINC000012863902 521593129 /nfs/dbraw/zinc/59/31/29/521593129.db2.gz LQQNJZGICTWMKO-NSHDSACASA-N 0 0 430.530 4.990 50 0 IJAARN CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccnc2SC)sc1C ZINC000021825821 521598901 /nfs/dbraw/zinc/59/89/01/521598901.db2.gz UELLLBBEGYXWML-UHFFFAOYSA-N 0 0 441.578 4.635 50 0 IJAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000036063697 521600162 /nfs/dbraw/zinc/60/01/62/521600162.db2.gz KXVLLDNUMRQAPM-HNNXBMFYSA-N 0 0 440.931 4.557 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N(CC)Cc1ccccc1 ZINC000012795461 521616932 /nfs/dbraw/zinc/61/69/32/521616932.db2.gz MORRAQJVTLKYJR-UHFFFAOYSA-N 0 0 429.973 4.601 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cc(C)ccc3OC)c2s1 ZINC000035533973 521651281 /nfs/dbraw/zinc/65/12/81/521651281.db2.gz UVQNBWUUCOBAKE-UHFFFAOYSA-N 0 0 445.614 4.761 50 0 IJAARN CCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 ZINC000017316218 521664906 /nfs/dbraw/zinc/66/49/06/521664906.db2.gz LRSQABAOAZMBAU-UHFFFAOYSA-N 0 0 434.561 4.637 50 0 IJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1ccc(F)cc1)CC2 ZINC000021101170 521730476 /nfs/dbraw/zinc/73/04/76/521730476.db2.gz RPSFMGSAPCIRLG-UHFFFAOYSA-N 0 0 432.543 4.966 50 0 biogenic IJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1C ZINC000012907546 521750585 /nfs/dbraw/zinc/75/05/85/521750585.db2.gz CNCPXLOFTWWDHK-LLVKDONJSA-N 0 0 437.443 4.744 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997703 521800315 /nfs/dbraw/zinc/80/03/15/521800315.db2.gz ISPFANXESILWFY-QFIPXVFZSA-N 0 0 436.537 4.720 50 0 IJAARN CCc1ccccc1NC(=O)C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000020604260 521857717 /nfs/dbraw/zinc/85/77/17/521857717.db2.gz KTAZKPBRBIHFID-UHFFFAOYSA-N 0 0 427.957 4.632 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000012792134 521862400 /nfs/dbraw/zinc/86/24/00/521862400.db2.gz LHKVQEVGBNAJBN-UHFFFAOYSA-N 0 0 429.879 4.716 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000012584127 521872801 /nfs/dbraw/zinc/87/28/01/521872801.db2.gz FGFIQWYMAULFRY-UHFFFAOYSA-N 0 0 425.488 4.940 50 0 IJAARN COc1cc(-c2cccc(Cl)c2)cc2c1OCCN(C(=O)[C@H]1CCOC(C)(C)C1)C2 ZINC000012281326 521899054 /nfs/dbraw/zinc/89/90/54/521899054.db2.gz LIHIPZIWAOFOFN-KRWDZBQOSA-N 0 0 429.944 4.942 50 0 IJAARN COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccc2ccccc2c1 ZINC000012823707 521904033 /nfs/dbraw/zinc/90/40/33/521904033.db2.gz IHJPIISPYRRASU-UHFFFAOYSA-N 0 0 441.574 4.952 50 0 IJAARN COc1cc(/C=C\C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc(OC)c1OC ZINC000022769004 521981070 /nfs/dbraw/zinc/98/10/70/521981070.db2.gz NDEIKQOYCWZFAT-HJWRWDBZSA-N 0 0 435.432 4.870 50 0 IJAARN COC(=O)c1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012202151 522007273 /nfs/dbraw/zinc/00/72/73/522007273.db2.gz RJGGRSPAEQQDHV-DEOSSOPVSA-N 0 0 445.519 4.654 50 0 IJAARN COc1cc(Br)c(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1OC ZINC000012813144 522018789 /nfs/dbraw/zinc/01/87/89/522018789.db2.gz PNOYYTBYECSAMS-YRNVUSSQSA-N 0 0 447.716 4.774 50 0 IJAARN COc1cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc(Cl)c1OCC(C)C ZINC000012800768 522066067 /nfs/dbraw/zinc/06/60/67/522066067.db2.gz BCMFGPTXRPBFQQ-UHFFFAOYSA-N 0 0 445.943 4.824 50 0 IJAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000239174519 522077315 /nfs/dbraw/zinc/07/73/15/522077315.db2.gz QEDNTYPEHCZCCK-OJJQZRKESA-N 0 0 437.495 4.716 50 0 IJAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1ccccc1F ZINC000036008989 522097772 /nfs/dbraw/zinc/09/77/72/522097772.db2.gz HQSWIKQIVHDEIH-CQSZACIVSA-N 0 0 427.925 4.649 50 0 IJAARN COc1cc(C(=O)N[C@@H](C)c2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000012551671 522131174 /nfs/dbraw/zinc/13/11/74/522131174.db2.gz UANCLDGIJDYYMF-HNNXBMFYSA-N 0 0 441.325 4.923 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012196542 522174715 /nfs/dbraw/zinc/17/47/15/522174715.db2.gz AZZMOGNOGIIWKV-WIOPSUGQSA-N 0 0 444.487 4.733 50 0 IJAARN CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936543 522403805 /nfs/dbraw/zinc/40/38/05/522403805.db2.gz OCKVHECTASETMD-UIAACRFSSA-N 0 0 434.565 4.842 50 0 IJAARN CCc1nc(SCC(=O)N(C)Cc2ccsc2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012552559 522408915 /nfs/dbraw/zinc/40/89/15/522408915.db2.gz JHNLOFBCRNQTGF-UHFFFAOYSA-N 0 0 433.002 4.754 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)Cc4ccccc4)CC2)n1)CCCC3 ZINC000035849252 522442362 /nfs/dbraw/zinc/44/23/62/522442362.db2.gz RMHWARHFMKTSRA-GOSISDBHSA-N 0 0 448.636 4.975 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl)C(=O)C1CCC1 ZINC000035948278 522452072 /nfs/dbraw/zinc/45/20/72/522452072.db2.gz HPJZSOTYMMABSM-OAQYLSRUSA-N 0 0 444.362 4.930 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000022616670 522517532 /nfs/dbraw/zinc/51/75/32/522517532.db2.gz BBHWZSPFJFJQSM-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(CCOC)C(=O)C1CC1 ZINC000035972512 522637402 /nfs/dbraw/zinc/63/74/02/522637402.db2.gz XXEAJMWVAVPHCK-UHFFFAOYSA-N 0 0 437.515 4.751 50 0 IJAARN COCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000035970547 522734026 /nfs/dbraw/zinc/73/40/26/522734026.db2.gz WSTOQEBGLRLMTP-UHFFFAOYSA-N 0 0 425.916 4.764 50 0 IJAARN COCC(=O)Nc1cccc(-n2nc(OCC(C)C)nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000037385583 522787929 /nfs/dbraw/zinc/78/79/29/522787929.db2.gz SLUJLRAUSXVPML-UHFFFAOYSA-N 0 0 448.445 4.573 50 0 IJAARN CC[C@@H](NC(=O)c1cccc([C@H]2CCCN(C(=O)NC(C)C)C2)c1)c1ccc(OC)cc1 ZINC000033264379 522795062 /nfs/dbraw/zinc/79/50/62/522795062.db2.gz VDHBGKTVFSZSSK-LADGPHEKSA-N 0 0 437.584 4.874 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000034708382 522876891 /nfs/dbraw/zinc/87/68/91/522876891.db2.gz UTMIPQGCDMHCTG-DQEYMECFSA-N 0 0 434.580 4.561 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c(OC)c2c1OCO2 ZINC000035324549 522958961 /nfs/dbraw/zinc/95/89/61/522958961.db2.gz WFWHSFMWTDHPSZ-CYBMUJFWSA-N 0 0 444.896 4.684 50 0 IJAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N(C)Cc3ccccc3)nn1-c1ccccc1)C2 ZINC000020716218 523019322 /nfs/dbraw/zinc/01/93/22/523019322.db2.gz INWGGWNGOUWWJP-UHFFFAOYSA-N 0 0 439.515 4.733 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1cn(CC(C)C)c(=O)c3ccccc13)CC2 ZINC000020941467 523034588 /nfs/dbraw/zinc/03/45/88/523034588.db2.gz UQMDBORFWVBLAY-QGZVFWFLSA-N 0 0 449.551 4.826 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1cccs1)N(Cc1ccc(C)cc1)CC2 ZINC000036040963 523037779 /nfs/dbraw/zinc/03/77/79/523037779.db2.gz JPGMLESHFASGFS-OAQYLSRUSA-N 0 0 436.577 4.603 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(Cc1cc3c(cc1Br)OCCCO3)CC2 ZINC000020567694 523045605 /nfs/dbraw/zinc/04/56/05/523045605.db2.gz KVNMEHXAECFYQB-AWEZNQCLSA-N 0 0 448.357 4.747 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(c1ncnc3c1cnn3-c1ccc(C)cc1C)CC2 ZINC000035681991 523046516 /nfs/dbraw/zinc/04/65/16/523046516.db2.gz WYSGKNCCOCJXAB-KRWDZBQOSA-N 0 0 429.524 4.573 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036043126 523048916 /nfs/dbraw/zinc/04/89/16/523048916.db2.gz CNCJYVAOFAFYFB-DCFHFQCYSA-N 0 0 444.575 4.930 50 0 IJAARN COc1ccc(-c2c(C)nn(-c3ccc(C(=O)NC4CCCCC4)cc3)c2NC(C)=O)cc1 ZINC000033037372 523076203 /nfs/dbraw/zinc/07/62/03/523076203.db2.gz OFAOXSWTQPCYAD-UHFFFAOYSA-N 0 0 446.551 4.877 50 0 IJAARN CC[C@@H](Sc1nc2ccccc2o1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000012859019 523084733 /nfs/dbraw/zinc/08/47/33/523084733.db2.gz ABSHIXNZYLPRDA-QGZVFWFLSA-N 0 0 434.311 4.887 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000022402575 523154532 /nfs/dbraw/zinc/15/45/32/523154532.db2.gz MQWKGPRAGOEJDR-UHFFFAOYSA-N 0 0 444.865 4.908 50 0 IJAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCc3ccco3)c3ccccc3)n[nH]2)cc1 ZINC000012176669 523178378 /nfs/dbraw/zinc/17/83/78/523178378.db2.gz UONQHJCVLUNGBM-FQEVSTJZSA-N 0 0 434.521 4.613 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)cs2)cc1 ZINC000023460591 523202599 /nfs/dbraw/zinc/20/25/99/523202599.db2.gz CLWNQIINLYNGMV-UHFFFAOYSA-N 0 0 443.572 4.930 50 0 IJAARN COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(Cl)cc4)c3C)c(C)o2)cc1 ZINC000012415629 523211736 /nfs/dbraw/zinc/21/17/36/523211736.db2.gz RCNXXYHQFOOCNE-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN COc1ccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)cs2)cc1OC ZINC000012805491 523212671 /nfs/dbraw/zinc/21/26/71/523212671.db2.gz FWYNIBQBXZYYPU-UHFFFAOYSA-N 0 0 439.566 4.712 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1ccccc1 ZINC000012822237 523224098 /nfs/dbraw/zinc/22/40/98/523224098.db2.gz VNGJKRJIVMCACJ-UHFFFAOYSA-N 0 0 444.564 4.759 50 0 IJAARN COCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)C1CCCC1 ZINC000035798785 523234218 /nfs/dbraw/zinc/23/42/18/523234218.db2.gz BGRRBDNSPMVSET-UHFFFAOYSA-N 0 0 442.625 4.641 50 0 IJAARN CCn1c(S[C@H](C)C(=O)NCc2ccco2)nc2scc(-c3ccccc3)c2c1=O ZINC000012788467 523245314 /nfs/dbraw/zinc/24/53/14/523245314.db2.gz DKJYJQQTHVKWJZ-CQSZACIVSA-N 0 0 439.562 4.535 50 0 IJAARN COc1ccc(-c2noc(CCCCCNC(=O)/C=C/c3nc4ccccc4s3)n2)cc1 ZINC000012878378 523283809 /nfs/dbraw/zinc/28/38/09/523283809.db2.gz SZJPDVVBVNVEKM-CCEZHUSRSA-N 0 0 448.548 4.897 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)cc1OC ZINC000012843388 523285316 /nfs/dbraw/zinc/28/53/16/523285316.db2.gz IPGCKWSVOATPNN-UHFFFAOYSA-N 0 0 435.524 4.658 50 0 IJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)cn1 ZINC000020615552 523299299 /nfs/dbraw/zinc/29/92/99/523299299.db2.gz CMFNOXNZVSACFH-UHFFFAOYSA-N 0 0 431.443 4.654 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3c2=O)cc1 ZINC000022498635 523314677 /nfs/dbraw/zinc/31/46/77/523314677.db2.gz LIOGJQPCGDXMFU-UHFFFAOYSA-N 0 0 436.418 4.625 50 0 IJAARN COCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000020938856 523335704 /nfs/dbraw/zinc/33/57/04/523335704.db2.gz LNAFNPPHULSFNP-JOCHJYFZSA-N 0 0 427.932 4.524 50 0 IJAARN CCn1cc(CN(C)C(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c(C)n1 ZINC000020606872 523365094 /nfs/dbraw/zinc/36/50/94/523365094.db2.gz JVWHOZMLVNUUQN-UHFFFAOYSA-N 0 0 447.486 4.903 50 0 IJAARN CN(Cc1ccccc1N1CCCC1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012619014 523376488 /nfs/dbraw/zinc/37/64/88/523376488.db2.gz UIOKLMVSYLQFGO-UHFFFAOYSA-N 0 0 430.577 4.884 50 0 IJAARN COc1ccc(Br)cc1C1=N/C(=C\c2cccc(Br)c2)C(=O)O1 ZINC000020615977 523493370 /nfs/dbraw/zinc/49/33/70/523493370.db2.gz BEQIUPZFHDXPDS-ZSOIEALJSA-N 0 0 437.087 4.565 50 0 IJAARN CCn1cnc2cc(-c3noc(-c4ccc(CS(=O)(=O)c5ccccc5)cc4)n3)ccc21 ZINC000035453387 523571589 /nfs/dbraw/zinc/57/15/89/523571589.db2.gz CPSIGBBRBMPIKT-UHFFFAOYSA-N 0 0 444.516 4.747 50 0 IJAARN COc1ccc(C(=O)CCC(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1OC ZINC000022480823 523581678 /nfs/dbraw/zinc/58/16/78/523581678.db2.gz UAABZLZKYXTCBJ-UHFFFAOYSA-N 0 0 439.537 4.515 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3c(F)cccc3F)cc2CN(Cc2ccccc2)C1=O ZINC000035873089 523607321 /nfs/dbraw/zinc/60/73/21/523607321.db2.gz PGWRIHWZLNEVQO-NRFANRHFSA-N 0 0 436.458 4.917 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884034 523607371 /nfs/dbraw/zinc/60/73/71/523607371.db2.gz TYWRVZCKWUJPHG-NRFANRHFSA-N 0 0 438.524 4.768 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)c2ccccc12 ZINC000012771749 523641081 /nfs/dbraw/zinc/64/10/81/523641081.db2.gz GRSRGKSTVYXKCC-IBGZPJMESA-N 0 0 430.504 4.542 50 0 IJAARN CC[C@@](O)(c1ccc(Br)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868678 523689962 /nfs/dbraw/zinc/68/99/62/523689962.db2.gz ISPPOPNUNDOMIR-NHCUHLMSSA-N 0 0 438.793 4.816 50 0 IJAARN CCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000036639826 523703555 /nfs/dbraw/zinc/70/35/55/523703555.db2.gz DXUCFEQGZVQHGI-UHFFFAOYSA-N 0 0 439.475 4.899 50 0 IJAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000014426502 523740757 /nfs/dbraw/zinc/74/07/57/523740757.db2.gz IHLLQBOTFWQSRA-IAGOWNOFSA-N 0 0 444.597 4.539 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1Cl ZINC000001064661 523750826 /nfs/dbraw/zinc/75/08/26/523750826.db2.gz SFJPGTXFSQIXSY-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CCc1cc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)on1 ZINC000012386347 523751598 /nfs/dbraw/zinc/75/15/98/523751598.db2.gz YFJGPIPZYRLTCM-UHFFFAOYSA-N 0 0 437.471 4.659 50 0 IJAARN COCCN(Cc1cccn1Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000035728952 523759274 /nfs/dbraw/zinc/75/92/74/523759274.db2.gz FDCFIRRYVJCBGJ-UHFFFAOYSA-N 0 0 434.561 4.527 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000020583088 523759569 /nfs/dbraw/zinc/75/95/69/523759569.db2.gz VOPCVUURKWJRCI-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3OC)c3ccccn32)cc1 ZINC000012342144 523779740 /nfs/dbraw/zinc/77/97/40/523779740.db2.gz FINQLXFBCPPRMM-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN COc1ccc(C(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c2ccc(OC)cc2)cc1 ZINC000012820399 523795961 /nfs/dbraw/zinc/79/59/61/523795961.db2.gz WMOSCTYRZPMMGM-GOSISDBHSA-N 0 0 436.527 4.742 50 0 IJAARN CCc1ccc(C(=O)CCC(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000011918326 523877253 /nfs/dbraw/zinc/87/72/53/523877253.db2.gz REWLBLSALPNMTN-UHFFFAOYSA-N 0 0 437.536 4.554 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3F)C(=O)C3CCCC3)C2)cc1OC ZINC000035835334 523880502 /nfs/dbraw/zinc/88/05/02/523880502.db2.gz XPEWHFJIUDBCKH-FQEVSTJZSA-N 0 0 440.515 4.555 50 0 IJAARN COc1ccc(CC(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)cc1OC ZINC000012149765 523901940 /nfs/dbraw/zinc/90/19/40/523901940.db2.gz BINSDIBREXSVFG-SFHVURJKSA-N 0 0 443.952 4.748 50 0 IJAARN CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccc(Br)cc1 ZINC000020419040 523924928 /nfs/dbraw/zinc/92/49/28/523924928.db2.gz HZDSIRZOZXQEIB-UHFFFAOYSA-N 0 0 448.363 4.742 50 0 IJAARN COc1ccc(CCN(C)Cn2nc(Nc3ccccc3C)sc2=S)cc1OC ZINC000012513926 523940644 /nfs/dbraw/zinc/94/06/44/523940644.db2.gz ZPYNDFWAJREQTJ-UHFFFAOYSA-N 0 0 430.599 4.875 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)C(=O)c1ccccc1Cl ZINC000035770313 523942232 /nfs/dbraw/zinc/94/22/32/523942232.db2.gz MOPJQTXNIJGHOI-HNNXBMFYSA-N 0 0 439.961 4.518 50 0 IJAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccccc3)cc21 ZINC000001867358 523970958 /nfs/dbraw/zinc/97/09/58/523970958.db2.gz ZSSBUDVIXMQVOU-UHFFFAOYSA-N 0 0 447.281 4.569 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020559194 523975672 /nfs/dbraw/zinc/97/56/72/523975672.db2.gz KZWMGPCWZORJFY-NRFANRHFSA-N 0 0 425.504 4.600 50 0 IJAARN CCc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000021883710 523977153 /nfs/dbraw/zinc/97/71/53/523977153.db2.gz WMHOCBUTBRZKAA-UHFFFAOYSA-N 0 0 436.515 4.601 50 0 IJAARN COc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)c2ccccn2)cc1OC ZINC000020722657 523986738 /nfs/dbraw/zinc/98/67/38/523986738.db2.gz DVIFVIOAGMOYAJ-UHFFFAOYSA-N 0 0 448.544 4.764 50 0 IJAARN CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021099891 523986853 /nfs/dbraw/zinc/98/68/53/523986853.db2.gz ZWUPCMNBMKKKDQ-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)cc3C)C2=O)cc1F ZINC000021658283 524043695 /nfs/dbraw/zinc/04/36/95/524043695.db2.gz IRZPWIQRFDMFMX-UHFFFAOYSA-N 0 0 440.496 4.787 50 0 IJAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000035530127 524045721 /nfs/dbraw/zinc/04/57/21/524045721.db2.gz RUECVTLKJDSTQL-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000020213405 524063418 /nfs/dbraw/zinc/06/34/18/524063418.db2.gz NIGNFBUIXPCIFV-UHFFFAOYSA-N 0 0 428.492 4.704 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC(C)CC3)sc21 ZINC000035462911 524063783 /nfs/dbraw/zinc/06/37/83/524063783.db2.gz POZYYMHSGFULNO-UHFFFAOYSA-N 0 0 441.626 4.924 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000012850580 524068046 /nfs/dbraw/zinc/06/80/46/524068046.db2.gz GDDXHQCCFBUNQF-VQTJNVASSA-N 0 0 444.457 4.790 50 0 IJAARN Cc1ccc2oc(CN3CCN(C(=O)Nc4ccc(Br)c(C)c4)CC3)nc2c1 ZINC000035534509 524094430 /nfs/dbraw/zinc/09/44/30/524094430.db2.gz QWYBZARGYSPQIL-UHFFFAOYSA-N 0 0 443.345 4.557 50 0 IJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(F)cc(F)c4)n3)nc2c1 ZINC000021721737 524095949 /nfs/dbraw/zinc/09/59/49/524095949.db2.gz IEONIVRWQJLITR-UHFFFAOYSA-N 0 0 430.436 4.661 50 0 IJAARN COc1cccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000022609825 524104734 /nfs/dbraw/zinc/10/47/34/524104734.db2.gz ZOUWQZFXVJPHFY-NRFANRHFSA-N 0 0 434.565 4.549 50 0 IJAARN COc1ccc(COC[C@@H](O)Cn2c3ccccc3nc2[C@H](C)Oc2ccccc2)cc1 ZINC000012506870 524116936 /nfs/dbraw/zinc/11/69/36/524116936.db2.gz PPKDLALMYMYESJ-FPOVZHCZSA-N 0 0 432.520 4.763 50 0 IJAARN Cc1cccc(-c2nc(CC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)cs2)c1 ZINC000012598914 524117690 /nfs/dbraw/zinc/11/76/90/524117690.db2.gz XHJJLZIJUXWCGD-UHFFFAOYSA-N 0 0 448.617 4.615 50 0 IJAARN COc1cccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928084 524130523 /nfs/dbraw/zinc/13/05/23/524130523.db2.gz QWMVUEQIUIGFMP-IZZNHLLZSA-N 0 0 440.543 4.797 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000021156702 524150803 /nfs/dbraw/zinc/15/08/03/524150803.db2.gz SPRWUTSOWDBACX-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)c1 ZINC000020735426 524153827 /nfs/dbraw/zinc/15/38/27/524153827.db2.gz REECXKNRFYOCMR-OINMWHHXSA-N 0 0 438.527 4.955 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012753174 524167261 /nfs/dbraw/zinc/16/72/61/524167261.db2.gz AUFLJGZZEOHGNH-TZMCWYRMSA-N 0 0 433.624 4.641 50 0 IJAARN Cc1cccc(C(=O)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000012455788 524170901 /nfs/dbraw/zinc/17/09/01/524170901.db2.gz YRFWWJLOECEJHH-UHFFFAOYSA-N 0 0 430.552 4.630 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001105865 524189224 /nfs/dbraw/zinc/18/92/24/524189224.db2.gz VZBCTDRDSRJQHN-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2nc3ccc(SC)cc3s2)CC1 ZINC000035590388 524195098 /nfs/dbraw/zinc/19/50/98/524195098.db2.gz PRJYECKSLNPSNK-UHFFFAOYSA-N 0 0 433.986 4.643 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000012888099 524198762 /nfs/dbraw/zinc/19/87/62/524198762.db2.gz NUNPCEBEPMOWOW-UHFFFAOYSA-N 0 0 429.008 4.620 50 0 IJAARN COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1=O ZINC000012415996 524219316 /nfs/dbraw/zinc/21/93/16/524219316.db2.gz UOEJTHFEVRPUHW-GFCCVEGCSA-N 0 0 437.805 4.938 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000012306715 524223108 /nfs/dbraw/zinc/22/31/08/524223108.db2.gz SBIIGCVFUJFTQE-QGZVFWFLSA-N 0 0 440.975 4.866 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@H](OCc5cccnc5)C4)n3)CCCC2)cc1 ZINC000012305131 524228106 /nfs/dbraw/zinc/22/81/06/524228106.db2.gz NABNLOOHRAGDMD-QHCPKHFHSA-N 0 0 432.568 4.814 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N[C@H](C)c1ccccc1 ZINC000020384772 524265489 /nfs/dbraw/zinc/26/54/89/524265489.db2.gz YUNBFYDDGUKBHO-QGZVFWFLSA-N 0 0 446.576 4.991 50 0 IJAARN COc1ccccc1-c1cc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)no1 ZINC000036012499 524267223 /nfs/dbraw/zinc/26/72/23/524267223.db2.gz YXUBRYDLQRFIGK-UHFFFAOYSA-N 0 0 448.500 4.983 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000035684767 524275203 /nfs/dbraw/zinc/27/52/03/524275203.db2.gz PXBOCLOCIWQVHA-MRXNPFEDSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccccc1-c1nc(C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)no1 ZINC000035460691 524279688 /nfs/dbraw/zinc/27/96/88/524279688.db2.gz ACYIDOUODAIODC-UHFFFAOYSA-N 0 0 436.899 4.900 50 0 IJAARN Cc1cc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(Cl)c1 ZINC000012866291 524283025 /nfs/dbraw/zinc/28/30/25/524283025.db2.gz PQWAPNWVOUYWMB-UHFFFAOYSA-N 0 0 440.897 4.521 50 0 IJAARN COc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1N1CCCCC1 ZINC000012527624 524301534 /nfs/dbraw/zinc/30/15/34/524301534.db2.gz MHXPKWNUNKYESU-OAHLLOKOSA-N 0 0 428.562 4.626 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000022414441 524301687 /nfs/dbraw/zinc/30/16/87/524301687.db2.gz ASZUZCYBZOIEIS-OAHLLOKOSA-N 0 0 441.380 4.650 50 0 IJAARN C[C@H](CNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032995211 524380560 /nfs/dbraw/zinc/38/05/60/524380560.db2.gz QIYZUVHDNSXFMV-OAHLLOKOSA-N 0 0 442.972 4.686 50 0 IJAARN Cc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021858140 524384579 /nfs/dbraw/zinc/38/45/79/524384579.db2.gz QHDYGNLJSPMNHJ-MUUNZHRXSA-N 0 0 437.543 4.681 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012315725 524392632 /nfs/dbraw/zinc/39/26/32/524392632.db2.gz KEIUCXXTZJJNSM-IBGZPJMESA-N 0 0 426.532 4.733 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)Cc2ccccc2)o1 ZINC000034807772 524415184 /nfs/dbraw/zinc/41/51/84/524415184.db2.gz DZNLNLGXTGQINN-UHFFFAOYSA-N 0 0 444.575 4.641 50 0 IJAARN Cc1cc(C)cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c1 ZINC000018172683 524417350 /nfs/dbraw/zinc/41/73/50/524417350.db2.gz MUYWASHMUQRTBM-XBLGPDGASA-N 0 0 429.362 4.592 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(Cc2ccco2)C(=O)C2CC2)s1 ZINC000035808247 524418919 /nfs/dbraw/zinc/41/89/19/524418919.db2.gz GFWUNKMKGSCIMP-UHFFFAOYSA-N 0 0 440.540 4.756 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(SC)cc3)C2)c(C)c1 ZINC000012456449 524482389 /nfs/dbraw/zinc/48/23/89/524482389.db2.gz SFPLQXHMNGKLNB-SFHVURJKSA-N 0 0 426.582 4.997 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)cc1Cl ZINC000012702600 524482765 /nfs/dbraw/zinc/48/27/65/524482765.db2.gz ZDNHFRPSNWPEMX-SFHVURJKSA-N 0 0 444.959 4.693 50 0 IJAARN COc1ccccc1CNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000012633832 524483036 /nfs/dbraw/zinc/48/30/36/524483036.db2.gz JKSWPUCMAADAIV-UHFFFAOYSA-N 0 0 440.609 4.946 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1 ZINC000012463687 524483022 /nfs/dbraw/zinc/48/30/22/524483022.db2.gz DJSWSNZNTAGGEM-SFHVURJKSA-N 0 0 426.582 4.997 50 0 IJAARN COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000021882582 524485653 /nfs/dbraw/zinc/48/56/53/524485653.db2.gz BHUBAKCDHJBRAY-AWEZNQCLSA-N 0 0 439.581 4.716 50 0 IJAARN Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000021882595 524499443 /nfs/dbraw/zinc/49/94/43/524499443.db2.gz HQGDVBGMEHALMX-QGZVFWFLSA-N 0 0 437.609 4.693 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1OC ZINC000016959991 524525534 /nfs/dbraw/zinc/52/55/34/524525534.db2.gz BAYBWLFJVWMJSW-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN COc1ccccc1N(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC000021378077 524531189 /nfs/dbraw/zinc/53/11/89/524531189.db2.gz VHBAPNRPAUQTTO-UHFFFAOYSA-N 0 0 438.480 4.885 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)c1 ZINC000009892306 524534904 /nfs/dbraw/zinc/53/49/04/524534904.db2.gz KUVYGJYQTJQBKW-QFIPXVFZSA-N 0 0 449.457 4.639 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc3ccsc3n2Cc2ccccc2F)CC1 ZINC000035843814 524551505 /nfs/dbraw/zinc/55/15/05/524551505.db2.gz OYLDQUCXUMRSPE-UHFFFAOYSA-N 0 0 449.551 4.861 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)CC1 ZINC000020988598 524560995 /nfs/dbraw/zinc/56/09/95/524560995.db2.gz PSFPZHRCGOYTEY-DEOSSOPVSA-N 0 0 444.510 4.796 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OC ZINC000022504939 524578536 /nfs/dbraw/zinc/57/85/36/524578536.db2.gz IROQNXIAQZHIOR-UHFFFAOYSA-N 0 0 431.492 4.941 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 ZINC000041089702 524578689 /nfs/dbraw/zinc/57/86/89/524578689.db2.gz KJDVIXKEAFSSTI-UHFFFAOYSA-N 0 0 436.493 4.541 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccc(F)cc1 ZINC000012879481 524587414 /nfs/dbraw/zinc/58/74/14/524587414.db2.gz ZPVLORKTRMSMAN-OAQYLSRUSA-N 0 0 445.454 4.613 50 0 IJAARN COc1ccccc1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3 ZINC000021352481 524590501 /nfs/dbraw/zinc/59/05/01/524590501.db2.gz CRBNUGAYQDVMOF-AWEZNQCLSA-N 0 0 439.581 4.716 50 0 IJAARN COc1ccccc1NC(=O)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000021358909 524617652 /nfs/dbraw/zinc/61/76/52/524617652.db2.gz IHBXBAKWBRSPRH-UHFFFAOYSA-N 0 0 444.447 4.709 50 0 IJAARN COc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CCC4)n3)cc2)nc1C ZINC000033258612 524630962 /nfs/dbraw/zinc/63/09/62/524630962.db2.gz NLUXCYCDALSNFZ-UHFFFAOYSA-N 0 0 429.480 4.759 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(NC(=O)C(C)C)c3)ccc2=O)c1C ZINC000016650753 524654647 /nfs/dbraw/zinc/65/46/47/524654647.db2.gz REIAUHSSAQXVKD-IBGZPJMESA-N 0 0 446.551 4.630 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(NS(=O)(=O)/C=C/c3ccccc3)ccc2C)c1 ZINC000012631162 524689477 /nfs/dbraw/zinc/68/94/77/524689477.db2.gz CYSXBPTWQXMACA-BUHFOSPRSA-N 0 0 442.562 4.517 50 0 IJAARN C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)Oc1ccc(Cl)cc1 ZINC000041155682 524712351 /nfs/dbraw/zinc/71/23/51/524712351.db2.gz RUEVFSBRJNRMBD-LBPRGKRZSA-N 0 0 435.705 4.955 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc[nH]4)n(-c4ccccc4)c(=O)c23)C1 ZINC000009664922 524726553 /nfs/dbraw/zinc/72/65/53/524726553.db2.gz YWIKGKJHKYLTQQ-CQSZACIVSA-N 0 0 435.574 4.875 50 0 IJAARN COc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)C1 ZINC000012162582 524809455 /nfs/dbraw/zinc/80/94/55/524809455.db2.gz IXLLIMGRBARQMH-GBXCKJPGSA-N 0 0 444.579 4.835 50 0 IJAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036718701 524888447 /nfs/dbraw/zinc/88/84/47/524888447.db2.gz DRJCKBCSLHATOY-UHFFFAOYSA-N 0 0 427.464 4.777 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(F)c2)cc1C ZINC000021353758 524890522 /nfs/dbraw/zinc/89/05/22/524890522.db2.gz BGTRTYREYQFUFZ-UHFFFAOYSA-N 0 0 432.542 4.890 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C ZINC000035912494 524920694 /nfs/dbraw/zinc/92/06/94/524920694.db2.gz CTWNNEXPMCXRFT-HSZRJFAPSA-N 0 0 438.574 4.883 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2=O)cc1 ZINC000012700741 524982628 /nfs/dbraw/zinc/98/26/28/524982628.db2.gz CCALJBFTPNIMOV-SFHVURJKSA-N 0 0 433.504 4.630 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012372746 524985619 /nfs/dbraw/zinc/98/56/19/524985619.db2.gz CLHBPJOIHQMEAH-MRXNPFEDSA-N 0 0 426.488 4.517 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000012419108 525013506 /nfs/dbraw/zinc/01/35/06/525013506.db2.gz XOGCSQMPGBBIPW-HZPDHXFCSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCc1[nH]nc2c1CCCC2 ZINC000012430067 525034022 /nfs/dbraw/zinc/03/40/22/525034022.db2.gz CIDRVLZZSDLBFR-JOCHJYFZSA-N 0 0 431.584 4.545 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000012361531 525045209 /nfs/dbraw/zinc/04/52/09/525045209.db2.gz NLLNWFHRSZDKLH-HXUWFJFHSA-N 0 0 437.348 4.597 50 0 IJAARN Cc1cc(N2CCC(C(=O)NCCC3=CCCCC3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033275094 525053410 /nfs/dbraw/zinc/05/34/10/525053410.db2.gz IVDXMPNGRMIKMK-UHFFFAOYSA-N 0 0 443.595 4.928 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3F)=NCC2=O)c(C)c1 ZINC000020734432 525060750 /nfs/dbraw/zinc/06/07/50/525060750.db2.gz FGPVZLSUTREKCY-UHFFFAOYSA-N 0 0 449.913 4.919 50 0 IJAARN C[C@@H]1CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000012419678 525079068 /nfs/dbraw/zinc/07/90/68/525079068.db2.gz SMPBLAKGUHEPHH-CHWSQXEVSA-N 0 0 438.958 4.503 50 0 IJAARN C[C@@H](NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)C12CC3CC(CC(C3)C1)C2 ZINC000012542962 525115790 /nfs/dbraw/zinc/11/57/90/525115790.db2.gz KAKKQGLMIPHLRY-UYTITELCSA-N 0 0 435.564 4.728 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021808388 525134158 /nfs/dbraw/zinc/13/41/58/525134158.db2.gz KQNDRKFPTSJFMS-RUZDIDTESA-N 0 0 435.593 4.875 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1Cl ZINC000021103982 525134658 /nfs/dbraw/zinc/13/46/58/525134658.db2.gz PNDYUYWLPUGYSQ-UHFFFAOYSA-N 0 0 437.906 4.943 50 0 IJAARN Cc1ccccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000018107034 525155325 /nfs/dbraw/zinc/15/53/25/525155325.db2.gz MJXQAHWFBJSSLK-UHFFFAOYSA-N 0 0 444.556 4.808 50 0 IJAARN Cc1cc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)ccc1Br ZINC000035530042 525174407 /nfs/dbraw/zinc/17/44/07/525174407.db2.gz KJSPQCUTJQJNHD-UHFFFAOYSA-N 0 0 444.373 4.708 50 0 IJAARN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000012739108 525198018 /nfs/dbraw/zinc/19/80/18/525198018.db2.gz SMIQCXYKJPZTIA-XMSQKQJNSA-N 0 0 436.515 4.547 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccco1 ZINC000021869116 525199002 /nfs/dbraw/zinc/19/90/02/525199002.db2.gz OWMFYNGSGLIEQR-AREMUKBSSA-N 0 0 431.536 4.612 50 0 IJAARN Cc1cc(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)nn1Cc1c(Cl)cccc1Cl ZINC000020602132 525213324 /nfs/dbraw/zinc/21/33/24/525213324.db2.gz SZBOPBPHRQNFTF-IBGZPJMESA-N 0 0 447.297 4.817 50 0 IJAARN Cc1ccccc1N1C(=O)CS[C@H]1c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000035910297 525222018 /nfs/dbraw/zinc/22/20/18/525222018.db2.gz GIXJASLDMBPZQE-QFIPXVFZSA-N 0 0 442.537 4.714 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1Cl ZINC000021860181 525239203 /nfs/dbraw/zinc/23/92/03/525239203.db2.gz HNDJYOSOJVABPJ-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000012920722 525241149 /nfs/dbraw/zinc/24/11/49/525241149.db2.gz AENSSXKVMFREAY-FQEVSTJZSA-N 0 0 435.351 4.876 50 0 IJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)nn1Cc1cccc(C)c1 ZINC000020616942 525242095 /nfs/dbraw/zinc/24/20/95/525242095.db2.gz KBZOEWSPRJWODJ-UHFFFAOYSA-N 0 0 433.459 4.768 50 0 IJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)nn1Cc1ccccc1C ZINC000020616944 525242511 /nfs/dbraw/zinc/24/25/11/525242511.db2.gz SALQGVSYOUONGI-UHFFFAOYSA-N 0 0 433.459 4.768 50 0 IJAARN Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441769 525243389 /nfs/dbraw/zinc/24/33/89/525243389.db2.gz HAXKSHUIFVNHJX-UHFFFAOYSA-N 0 0 429.299 4.912 50 0 IJAARN Cc1cc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nn1Cc1cccc(C)c1 ZINC000020616326 525248129 /nfs/dbraw/zinc/24/81/29/525248129.db2.gz MIWDERFLBSHCFU-UHFFFAOYSA-N 0 0 430.508 4.984 50 0 IJAARN Cc1ccccc1NC(=O)Nc1ccc(SCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 ZINC000021801033 525256449 /nfs/dbraw/zinc/25/64/49/525256449.db2.gz BDWRMGUBWIZHKN-UHFFFAOYSA-N 0 0 448.552 4.717 50 0 IJAARN Cc1ccccc1NC(=O)[C@H](C)SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21 ZINC000021936966 525261130 /nfs/dbraw/zinc/26/11/30/525261130.db2.gz UHSNELXKNSENCS-OXJNMPFZSA-N 0 0 434.565 4.760 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c(OC)c1 ZINC000020892601 525270188 /nfs/dbraw/zinc/27/01/88/525270188.db2.gz TTWSFQMEYRGVAQ-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccccc1NCc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1 ZINC000021880772 525271922 /nfs/dbraw/zinc/27/19/22/525271922.db2.gz LZLHCRPHIBYFQU-UHFFFAOYSA-N 0 0 430.581 4.576 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3ncc(-c4ccc(C)c(C)c4)o3)CC2)c(F)c1 ZINC000009979402 534847501 /nfs/dbraw/zinc/84/75/01/534847501.db2.gz RKZJNPNUDMNHRS-UHFFFAOYSA-N 0 0 449.526 4.582 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)n2)cc1 ZINC000017042561 525323140 /nfs/dbraw/zinc/32/31/40/525323140.db2.gz OJSARJRREUWYCO-UHFFFAOYSA-N 0 0 439.922 4.592 50 0 IJAARN Cc1ccccc1[C@@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012632480 525356214 /nfs/dbraw/zinc/35/62/14/525356214.db2.gz PDKFMEVZUYCEFO-OAHLLOKOSA-N 0 0 445.972 4.621 50 0 IJAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)C1 ZINC000012733744 525385375 /nfs/dbraw/zinc/38/53/75/525385375.db2.gz SDGFUFWKEUNECV-IYBDPMFKSA-N 0 0 438.553 4.719 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805693 525431503 /nfs/dbraw/zinc/43/15/03/525431503.db2.gz QJINGQGEGPRCJG-RUZDIDTESA-N 0 0 444.510 4.684 50 0 IJAARN COc1ccc([C@](O)(c2ccccc2)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446997 525444847 /nfs/dbraw/zinc/44/48/47/525444847.db2.gz NSNMRRSJBXMBCJ-CLJLJLNGSA-N 0 0 437.967 4.701 50 0 IJAARN COc1ccc([C@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446991 525445186 /nfs/dbraw/zinc/44/51/86/525445186.db2.gz NSNMRRSJBXMBCJ-IZZNHLLZSA-N 0 0 437.967 4.701 50 0 IJAARN Cc1ccc(OCc2nc(CCN(C)C(=O)c3ccccc3C(F)(F)F)no2)c(C)c1 ZINC000032961055 525447134 /nfs/dbraw/zinc/44/71/34/525447134.db2.gz AWNOAIZLZKUIIN-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN Cc1ccc(OCc2nc(CC(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)cc1 ZINC000033326370 525448273 /nfs/dbraw/zinc/44/82/73/525448273.db2.gz KFVBVXWHOYXLTB-UHFFFAOYSA-N 0 0 435.593 4.539 50 0 IJAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012546174 525478669 /nfs/dbraw/zinc/47/86/69/525478669.db2.gz XEILDONCPIMFTI-NVXWUHKLSA-N 0 0 447.988 4.726 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COc1ccccc1)[C@H]3c1ccc(F)cc1 ZINC000021779957 525481702 /nfs/dbraw/zinc/48/17/02/525481702.db2.gz XLGOUUFIUVUVRS-SANMLTNESA-N 0 0 430.479 4.869 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000036394099 525489028 /nfs/dbraw/zinc/48/90/28/525489028.db2.gz YVWSTHBMHDNLIN-VWLOTQADSA-N 0 0 433.529 4.811 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c2oc1-c1ccccc1 ZINC000012787237 525522574 /nfs/dbraw/zinc/52/25/74/525522574.db2.gz AEDVPVVPEUBYSA-JOCHJYFZSA-N 0 0 438.527 4.773 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccccc4F)ccc3C)nc2c1 ZINC000033068109 525607520 /nfs/dbraw/zinc/60/75/20/525607520.db2.gz AOFPWTQTHBWRJZ-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1C ZINC000020554799 525612114 /nfs/dbraw/zinc/61/21/14/525612114.db2.gz XWPXCRQFOSWXLF-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccc4cccnc43)c2)cc1C ZINC000012561005 525615266 /nfs/dbraw/zinc/61/52/66/525615266.db2.gz CPILUFZSVDGOPS-UHFFFAOYSA-N 0 0 431.517 4.905 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccc2)C3=O)o1 ZINC000021526744 525618669 /nfs/dbraw/zinc/61/86/69/525618669.db2.gz COTDJPOBXCNDGA-SANMLTNESA-N 0 0 433.552 4.796 50 0 IJAARN Cc1c(C(=O)NCc2ccccn2)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000020490119 525629355 /nfs/dbraw/zinc/62/93/55/525629355.db2.gz UFFQIEXSOMPLJF-UHFFFAOYSA-N 0 0 432.911 4.577 50 0 IJAARN Cc1c(C(=O)NCc2cccnc2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490201 525630290 /nfs/dbraw/zinc/63/02/90/525630290.db2.gz IVXYTAIKHAGTFL-UHFFFAOYSA-N 0 0 432.911 4.577 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)ccc3F)sc2c1 ZINC000021660578 525656500 /nfs/dbraw/zinc/65/65/00/525656500.db2.gz IXHXOSJOSFUPSP-AWEZNQCLSA-N 0 0 426.448 4.551 50 0 IJAARN C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012783155 525664363 /nfs/dbraw/zinc/66/43/63/525664363.db2.gz BKXJBSIOVKFBJR-QWRGUYRKSA-N 0 0 438.534 4.606 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000033168721 525675050 /nfs/dbraw/zinc/67/50/50/525675050.db2.gz UJWGDSIAFAGIIK-IBGZPJMESA-N 0 0 436.556 4.608 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n2o1 ZINC000020583214 525675163 /nfs/dbraw/zinc/67/51/63/525675163.db2.gz AHPBUCVHNAYHJS-UHFFFAOYSA-N 0 0 425.897 4.794 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n2o1 ZINC000041089740 525676236 /nfs/dbraw/zinc/67/62/36/525676236.db2.gz CMGFRTOKSQAJHU-UHFFFAOYSA-N 0 0 425.897 4.794 50 0 IJAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000012383211 525698569 /nfs/dbraw/zinc/69/85/69/525698569.db2.gz RJVQLNZDMQEKTD-CWJGXYIYSA-N 0 0 445.518 4.771 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000012909982 525731788 /nfs/dbraw/zinc/73/17/88/525731788.db2.gz SDSRRHBUDWRSRJ-DEOSSOPVSA-N 0 0 439.515 4.861 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCC(C)CC2)o1 ZINC000021659852 525761571 /nfs/dbraw/zinc/76/15/71/525761571.db2.gz NLIMAYZKFIDJJP-GOSISDBHSA-N 0 0 428.916 4.551 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3Br)OCCO4)n2)cc1 ZINC000041126744 525782907 /nfs/dbraw/zinc/78/29/07/525782907.db2.gz XFHVQYZWYVQMLY-UHFFFAOYSA-N 0 0 431.311 4.905 50 0 IJAARN Cc1ccc(-c2nc(SCc3nnc(-c4ccc(Br)cc4)o3)n[nH]2)cc1 ZINC000013113232 525790279 /nfs/dbraw/zinc/79/02/79/525790279.db2.gz VLBFNEGWFGPWPH-UHFFFAOYSA-N 0 0 428.315 4.885 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021526490 525793640 /nfs/dbraw/zinc/79/36/40/525793640.db2.gz VRKWGLWJEHALQM-MHZLTWQESA-N 0 0 447.579 4.921 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccco1 ZINC000021809644 525795842 /nfs/dbraw/zinc/79/58/42/525795842.db2.gz DQGSIBAXQVWULY-QHCPKHFHSA-N 0 0 425.554 4.550 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021780768 525803731 /nfs/dbraw/zinc/80/37/31/525803731.db2.gz FHQMKNYBJVUWCC-VWLOTQADSA-N 0 0 447.922 4.619 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)n2)cc1 ZINC000035502367 525831823 /nfs/dbraw/zinc/83/18/23/525831823.db2.gz SONZCFLKVREDCE-OAQYLSRUSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036043610 525837020 /nfs/dbraw/zinc/83/70/20/525837020.db2.gz QQVQYDSVXKUXRB-LOSJGSFVSA-N 0 0 430.523 4.615 50 0 IJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn32)c1 ZINC000012342105 525840050 /nfs/dbraw/zinc/84/00/50/525840050.db2.gz ODYBAUAHXBYNEV-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN Cc1ccc(-c2nnc(SC[C@@H](O)Cn3c4ccccc4c4c3CCCC4)n2C)cc1 ZINC000012462082 525857576 /nfs/dbraw/zinc/85/75/76/525857576.db2.gz MKKCCKXAOUXRCF-IBGZPJMESA-N 0 0 432.593 4.777 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000035180996 525859007 /nfs/dbraw/zinc/85/90/07/525859007.db2.gz YIILHPXVJLKNRV-SFHVURJKSA-N 0 0 447.510 4.964 50 0 IJAARN Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(Br)ccc4o3)n2)s1 ZINC000021806076 525888451 /nfs/dbraw/zinc/88/84/51/525888451.db2.gz FRJGLUBZUFZDNR-UHFFFAOYSA-N 0 0 448.323 4.696 50 0 IJAARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)[C@@H](C)Oc4cccc(F)c4)cc3c2=O)cc1 ZINC000022497678 525896078 /nfs/dbraw/zinc/89/60/78/525896078.db2.gz NNYJYHGSDQSIPY-MRXNPFEDSA-N 0 0 431.467 4.548 50 0 IJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)C2CC2)C2CC2)cc1 ZINC000036051435 525903318 /nfs/dbraw/zinc/90/33/18/525903318.db2.gz LUHIDISCQSFRNM-UHFFFAOYSA-N 0 0 448.954 4.841 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1Cl)c1nn2c(nc3ccccc3c2=O)s1 ZINC000017100764 525926165 /nfs/dbraw/zinc/92/61/65/525926165.db2.gz RTTPNMXVDBIPBZ-VIFPVBQESA-N 0 0 436.718 4.860 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCC3CCCCCCC3)ccc2=O)cc1C ZINC000033039779 525930146 /nfs/dbraw/zinc/93/01/46/525930146.db2.gz QIECQNKNULFJFK-IBGZPJMESA-N 0 0 427.614 4.807 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)Nc1cc(Cl)ccc1C ZINC000020683147 525962136 /nfs/dbraw/zinc/96/21/36/525962136.db2.gz KKJQYEVTPSCNCW-UHFFFAOYSA-N 0 0 432.929 4.740 50 0 IJAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021937543 525968409 /nfs/dbraw/zinc/96/84/09/525968409.db2.gz WEVNMHQDPIUHSZ-IERDGZPVSA-N 0 0 440.528 4.778 50 0 IJAARN C[C@H](Sc1ccccc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023039024 525991153 /nfs/dbraw/zinc/99/11/53/525991153.db2.gz POOOJISTNNXEMI-ZDUSSCGKSA-N 0 0 429.895 4.583 50 0 IJAARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000012911600 525995071 /nfs/dbraw/zinc/99/50/71/525995071.db2.gz QGYZHBXREXDJIJ-CYBMUJFWSA-N 0 0 434.945 4.626 50 0 IJAARN CSc1ccc(CNC(=O)c2cccc(NC(=O)c3nnc(CC(C)C)s3)c2)cc1 ZINC000033022931 526002216 /nfs/dbraw/zinc/00/22/16/526002216.db2.gz JFPRJLDPWRRTOF-UHFFFAOYSA-N 0 0 440.594 4.641 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012568498 526002323 /nfs/dbraw/zinc/00/23/23/526002323.db2.gz VAGBWCOECHETHL-CEXWTWQISA-N 0 0 435.593 4.715 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000239425797 526008806 /nfs/dbraw/zinc/00/88/06/526008806.db2.gz VGPNLODJAXQSKT-RSUWNVLCSA-N 0 0 438.391 4.921 50 0 IJAARN C[C@H](Sc1nnc(-c2cc(Cl)ccc2Cl)n1N)c1nnc(-c2cccs2)o1 ZINC000012587275 526009162 /nfs/dbraw/zinc/00/91/62/526009162.db2.gz SJWBWXQDKYAQOE-QMMMGPOBSA-N 0 0 439.353 4.931 50 0 IJAARN CSc1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012750089 526011786 /nfs/dbraw/zinc/01/17/86/526011786.db2.gz HOQVRTJNIAEXOQ-UHFFFAOYSA-N 0 0 431.941 4.568 50 0 IJAARN C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000023945908 526013248 /nfs/dbraw/zinc/01/32/48/526013248.db2.gz DVVCLEQCPIEMEH-KRWDZBQOSA-N 0 0 440.617 4.846 50 0 IJAARN CSc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000012302980 526030310 /nfs/dbraw/zinc/03/03/10/526030310.db2.gz LWKUHJRUDZRWDN-KRWDZBQOSA-N 0 0 429.561 4.888 50 0 IJAARN Cc1cc(-c2cc(C(=O)Nc3cccc(S(C)(=O)=O)c3)c3c(C)noc3n2)c(C)s1 ZINC000012754736 526039949 /nfs/dbraw/zinc/03/99/49/526039949.db2.gz BOGHIFMUWIUAHT-UHFFFAOYSA-N 0 0 441.534 4.532 50 0 IJAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1c2ccccc2nc1SCc1ccccc1 ZINC000012520435 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O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Br)cc1F ZINC000032951192 526467614 /nfs/dbraw/zinc/46/76/14/526467614.db2.gz MBYAGRLKSSRVNQ-UHFFFAOYSA-N 0 0 445.214 4.778 50 0 IJAARN O=C(CCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccccc1Cl ZINC000012891358 526487330 /nfs/dbraw/zinc/48/73/30/526487330.db2.gz MSZUOUULBXZHJH-UHFFFAOYSA-N 0 0 447.288 4.558 50 0 IJAARN Cc1noc(C)c1CN(C(=O)COc1ccc(Br)cc1F)c1ccccc1 ZINC000022135154 526500304 /nfs/dbraw/zinc/50/03/04/526500304.db2.gz GGSRPAYSLFINLN-UHFFFAOYSA-N 0 0 433.277 4.805 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034712898 526522190 /nfs/dbraw/zinc/52/21/90/526522190.db2.gz VCJGQYBSBZUJJO-KRWDZBQOSA-N 0 0 430.476 4.576 50 0 IJAARN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012891403 526524316 /nfs/dbraw/zinc/52/43/16/526524316.db2.gz LQYLNXBVOGEKBR-QFBILLFUSA-N 0 0 439.968 4.662 50 0 IJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012634431 526575361 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526730135 /nfs/dbraw/zinc/73/01/35/526730135.db2.gz FGHCBJXHHUEOEA-YTTGMZPUSA-N 0 0 448.544 4.832 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 ZINC000012477209 526741049 /nfs/dbraw/zinc/74/10/49/526741049.db2.gz UTIZVMVAZUWTDM-GOSISDBHSA-N 0 0 433.533 4.831 50 0 IJAARN O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCCC[C@H]1CCn1ccnc1 ZINC000012307024 526742219 /nfs/dbraw/zinc/74/22/19/526742219.db2.gz URFROPYRDASJPL-QFIPXVFZSA-N 0 0 428.536 4.895 50 0 IJAARN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000012327784 526750910 /nfs/dbraw/zinc/75/09/10/526750910.db2.gz RCWXZAYOLDAQIP-CQSZACIVSA-N 0 0 439.865 4.648 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1)N1CCCCC1 ZINC000033311097 526775238 /nfs/dbraw/zinc/77/52/38/526775238.db2.gz KSFKXNZVTAUYPJ-LJQANCHMSA-N 0 0 440.971 4.897 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)NC[C@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 ZINC000012886784 526780573 /nfs/dbraw/zinc/78/05/73/526780573.db2.gz VDZHVRULTYAQNF-GOSISDBHSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN Cc1occc1C(=O)Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 ZINC000012536002 526815476 /nfs/dbraw/zinc/81/54/76/526815476.db2.gz FPRDVGPWPGZCEJ-UHFFFAOYSA-N 0 0 449.326 4.712 50 0 IJAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)CC1 ZINC000020597684 526829837 /nfs/dbraw/zinc/82/98/37/526829837.db2.gz XMPGZSYMJKHXPV-UHFFFAOYSA-N 0 0 449.576 4.597 50 0 IJAARN O=C(c1cccs1)[C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000011933190 526839222 /nfs/dbraw/zinc/83/92/22/526839222.db2.gz PQAIPZRANIBNBR-OAHLLOKOSA-N 0 0 435.471 4.836 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)c2cc(Cl)cc(Cl)c2N)o1 ZINC000013007190 526845325 /nfs/dbraw/zinc/84/53/25/526845325.db2.gz NEXXUXMMJMMIMC-UHFFFAOYSA-N 0 0 445.262 4.946 50 0 IJAARN O=C(CN[C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012915408 526886815 /nfs/dbraw/zinc/88/68/15/526886815.db2.gz URTZGEXAJHUGBY-XMMPIXPASA-N 0 0 433.577 4.738 50 0 IJAARN Cc1sc2c(c1C)C(c1ccc(F)cc1)=NCC(=O)N2CC(=O)Nc1ccc(C)cc1C ZINC000021021625 526887449 /nfs/dbraw/zinc/88/74/49/526887449.db2.gz NKFYKTJEHVYRPG-UHFFFAOYSA-N 0 0 449.551 4.944 50 0 IJAARN O=C(c1csc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)n1)N1CCOCC1 ZINC000034712642 526900941 /nfs/dbraw/zinc/90/09/41/526900941.db2.gz IZJYLTKQQQQNPH-UHFFFAOYSA-N 0 0 448.466 4.880 50 0 IJAARN NC(=O)Cc1ccc(C(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc32)s1 ZINC000012864509 526909812 /nfs/dbraw/zinc/90/98/12/526909812.db2.gz UZUQEYVFKBUTOE-UHFFFAOYSA-N 0 0 443.550 4.562 50 0 IJAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000012588385 526911995 /nfs/dbraw/zinc/91/19/95/526911995.db2.gz CRVRBLBARNWRHP-UHFFFAOYSA-N 0 0 449.391 4.966 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1N1CCCCC1 ZINC000001128997 526956201 /nfs/dbraw/zinc/95/62/01/526956201.db2.gz OAWCKBFNQDWAPB-UHFFFAOYSA-N 0 0 438.380 4.876 50 0 IJAARN O=C(COc1ccc(F)cc1Cl)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000012806156 526959892 /nfs/dbraw/zinc/95/98/92/526959892.db2.gz YHKJJHKXNOUINT-UHFFFAOYSA-N 0 0 436.270 4.753 50 0 IJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCCc1c[nH]c2ccccc12 ZINC000012901548 526971662 /nfs/dbraw/zinc/97/16/62/526971662.db2.gz RDPKIIYGKBIELM-UHFFFAOYSA-N 0 0 438.483 4.679 50 0 biogenic IJAARN O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[nH]c(SCc3ccccc3Cl)nc2N1 ZINC000021785010 527032119 /nfs/dbraw/zinc/03/21/19/527032119.db2.gz FSGXMXJVWBHDKJ-CYBMUJFWSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000035480971 527040569 /nfs/dbraw/zinc/04/05/69/527040569.db2.gz NCOGZUPCLJCHGH-QHCPKHFHSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1CCCc1ccccc1)Nc1ccccc1 ZINC000021461623 527062205 /nfs/dbraw/zinc/06/22/05/527062205.db2.gz HKJZBNAOPBQQSU-UHFFFAOYSA-N 0 0 429.545 4.760 50 0 IJAARN O=C(N[C@H]1CCc2ccccc21)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000012637192 527071596 /nfs/dbraw/zinc/07/15/96/527071596.db2.gz VAHUSYFZULWJIH-VWLOTQADSA-N 0 0 445.526 4.959 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCc1ccc(F)cc1 ZINC000012588421 527077294 /nfs/dbraw/zinc/07/72/94/527077294.db2.gz PJOAQSVWJWSWHV-UHFFFAOYSA-N 0 0 444.535 4.796 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000013128257 527078777 /nfs/dbraw/zinc/07/87/77/527078777.db2.gz OOSORELETDWNLE-NRFANRHFSA-N 0 0 447.589 4.734 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000009664291 527082108 /nfs/dbraw/zinc/08/21/08/527082108.db2.gz FIEPCIVNHXBDSA-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000015881946 527083794 /nfs/dbraw/zinc/08/37/94/527083794.db2.gz QLBZJEQCIYYZKH-UHFFFAOYSA-N 0 0 433.940 4.962 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012632068 527086091 /nfs/dbraw/zinc/08/60/91/527086091.db2.gz KVDNXVPVWDYUCH-PZJWPPBQSA-N 0 0 439.629 4.531 50 0 IJAARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1cccc(CN2CCCC2=O)c1 ZINC000012525351 527089465 /nfs/dbraw/zinc/08/94/65/527089465.db2.gz PVMXHMRWIFDHLR-UHFFFAOYSA-N 0 0 434.496 4.577 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000035373143 527104071 /nfs/dbraw/zinc/10/40/71/527104071.db2.gz XTWCPZXJIBTFLL-UHFFFAOYSA-N 0 0 427.835 4.559 50 0 IJAARN O=C(Nc1cc(F)ccc1F)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020939197 527126976 /nfs/dbraw/zinc/12/69/76/527126976.db2.gz IOSHYVCNIWSZJI-UHFFFAOYSA-N 0 0 426.448 4.756 50 0 IJAARN Cc1nc2ccc(NC(=O)COc3ccccc3F)cc2c(=O)n1-c1ccc(Cl)cc1 ZINC000022499929 527141785 /nfs/dbraw/zinc/14/17/85/527141785.db2.gz UGCMPEMLOOLREY-UHFFFAOYSA-N 0 0 437.858 4.504 50 0 IJAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)cc2s1 ZINC000012613494 527147248 /nfs/dbraw/zinc/14/72/48/527147248.db2.gz ZKEMBWRDJHOTHR-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012779689 527154155 /nfs/dbraw/zinc/15/41/55/527154155.db2.gz PZWRODQHEJZHGP-NSHDSACASA-N 0 0 431.183 4.672 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000016400298 527161933 /nfs/dbraw/zinc/16/19/33/527161933.db2.gz RJRDCHHHGGLZNS-HSZRJFAPSA-N 0 0 432.545 4.631 50 0 IJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000012769707 527171569 /nfs/dbraw/zinc/17/15/69/527171569.db2.gz YTKBRJQXOAJDMS-UHFFFAOYSA-N 0 0 443.572 4.972 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492658 527191366 /nfs/dbraw/zinc/19/13/66/527191366.db2.gz BUFRCGZXFGIWJW-UHFFFAOYSA-N 0 0 428.870 4.930 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360221 527287445 /nfs/dbraw/zinc/28/74/45/527287445.db2.gz WKWXSZIKUINBBA-UHFFFAOYSA-N 0 0 432.863 4.893 50 0 IJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000012317315 527308395 /nfs/dbraw/zinc/30/83/95/527308395.db2.gz SEYKWYRTAJOLQN-LJQANCHMSA-N 0 0 432.499 4.584 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012699830 527332845 /nfs/dbraw/zinc/33/28/45/527332845.db2.gz JEMAYUGULDLCKP-UHFFFAOYSA-N 0 0 442.393 4.981 50 0 IJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000012879869 527332911 /nfs/dbraw/zinc/33/29/11/527332911.db2.gz WBWXPVQLGLEUEB-UHFFFAOYSA-N 0 0 433.512 4.674 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466635 527346320 /nfs/dbraw/zinc/34/63/20/527346320.db2.gz GELAXHYEDUJFCN-NSHDSACASA-N 0 0 439.773 4.500 50 0 IJAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012602470 527361779 /nfs/dbraw/zinc/36/17/79/527361779.db2.gz GQXWFSBEJQKGOW-UHFFFAOYSA-N 0 0 441.507 4.634 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)N1CCCCCC1 ZINC000020530085 527369999 /nfs/dbraw/zinc/36/99/99/527369999.db2.gz QXCCJMOHLVNVCO-UHFFFAOYSA-N 0 0 444.984 4.671 50 0 IJAARN O=C(Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21)N1CCOCC1 ZINC000017200920 527371063 /nfs/dbraw/zinc/37/10/63/527371063.db2.gz RORKULCAXDFEMO-UHFFFAOYSA-N 0 0 434.483 4.811 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000012567843 527406180 /nfs/dbraw/zinc/40/61/80/527406180.db2.gz ORVFSAGTVMLGGL-BZUAXINKSA-N 0 0 427.595 4.662 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(OCCOc2ccccc2)cc1 ZINC000012138023 527407621 /nfs/dbraw/zinc/40/76/21/527407621.db2.gz SSBKMAWVFJBDRQ-UHFFFAOYSA-N 0 0 430.504 4.633 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024606223 527433550 /nfs/dbraw/zinc/43/35/50/527433550.db2.gz BDNGMCAWWSRWFW-UHFFFAOYSA-N 0 0 442.562 4.580 50 0 IJAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C/C=C/c1ccccc1 ZINC000012614049 527455221 /nfs/dbraw/zinc/45/52/21/527455221.db2.gz ZRZREGWMYUMEQR-XBXARRHUSA-N 0 0 449.601 4.732 50 0 IJAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccccc1)CN(C[C@@H]1CCCO1)CO3 ZINC000012442619 527463305 /nfs/dbraw/zinc/46/33/05/527463305.db2.gz YMOIUWRJOBGOHJ-HNNXBMFYSA-N 0 0 431.410 4.810 50 0 biogenic IJAARN O=C(NC1(c2ccccc2)CC1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012195603 527477352 /nfs/dbraw/zinc/47/73/52/527477352.db2.gz BHBMMXFWIPMUFM-UHFFFAOYSA-N 0 0 438.575 4.654 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000012542094 527528787 /nfs/dbraw/zinc/52/87/87/527528787.db2.gz UJIJVMAEOQMMRF-HTAPYJJXSA-N 0 0 440.906 4.719 50 0 IJAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000065476614 527531300 /nfs/dbraw/zinc/53/13/00/527531300.db2.gz WCCVAEBGUIKQAX-UHFFFAOYSA-N 0 0 432.421 4.898 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000012920716 527541442 /nfs/dbraw/zinc/54/14/42/527541442.db2.gz BCHQLHRHHRCDSW-UHFFFAOYSA-N 0 0 437.594 4.519 50 0 IJAARN O=C(Nn1cnc2scc(-c3ccco3)c2c1=O)c1cccc(Oc2ccccc2)c1 ZINC000012850774 527543190 /nfs/dbraw/zinc/54/31/90/527543190.db2.gz CSMVSKZPZSLXIA-UHFFFAOYSA-N 0 0 429.457 4.894 50 0 IJAARN Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000040132070 527566255 /nfs/dbraw/zinc/56/62/55/527566255.db2.gz AYGWUQCRNIYBPM-UHFFFAOYSA-N 0 0 429.879 4.624 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000020718210 527572343 /nfs/dbraw/zinc/57/23/43/527572343.db2.gz WLHLXMSTCJKIRT-LJQANCHMSA-N 0 0 429.455 4.812 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000020723220 527572910 /nfs/dbraw/zinc/57/29/10/527572910.db2.gz VRVVCZNWFFUWLX-JOCHJYFZSA-N 0 0 443.532 4.974 50 0 IJAARN O[C@@H](CCc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1ccccn1)CCO2 ZINC000012191516 527646590 /nfs/dbraw/zinc/64/65/90/527646590.db2.gz MFZAOGARKGDKID-SANMLTNESA-N 0 0 439.559 4.933 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012324518 527657102 /nfs/dbraw/zinc/65/71/02/527657102.db2.gz JJNHNLJSAXXPCJ-LJQANCHMSA-N 0 0 448.748 4.532 50 0 IJAARN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000009409629 535218849 /nfs/dbraw/zinc/21/88/49/535218849.db2.gz QBXWRPCIRLRYDI-UHFFFAOYSA-N 0 0 447.535 4.529 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CN1C(=O)CSc2ccccc21 ZINC000013040822 535375109 /nfs/dbraw/zinc/37/51/09/535375109.db2.gz BLXORTACNSFWQG-UHFFFAOYSA-N 0 0 440.565 4.554 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000001172314 536633618 /nfs/dbraw/zinc/63/36/18/536633618.db2.gz YQTUBNOEIQFALA-UHFFFAOYSA-N 0 0 448.386 4.575 50 0 IJAARN COc1ccc(N2C(=O)CCS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000008597531 536659361 /nfs/dbraw/zinc/65/93/61/536659361.db2.gz NTVTZBODSPKUIH-RUZDIDTESA-N 0 0 448.519 4.704 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)CS2 ZINC000009673022 537046696 /nfs/dbraw/zinc/04/66/96/537046696.db2.gz IIWKFRIQWYUMHF-UHFFFAOYSA-N 0 0 432.545 4.573 50 0 IJAARN COc1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000003248687 537084111 /nfs/dbraw/zinc/08/41/11/537084111.db2.gz YSEZVXCSNGXDTC-UHFFFAOYSA-N 0 0 434.517 4.870 50 0 IJAARN CC(C)C(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccccc3F)cc2)s1 ZINC000000624938 555512055 /nfs/dbraw/zinc/51/20/55/555512055.db2.gz ATWZMUAVVYARID-UHFFFAOYSA-N 0 0 430.530 4.816 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000000634837 555516742 /nfs/dbraw/zinc/51/67/42/555516742.db2.gz RVALJCFZNKHFAE-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000636650 555517013 /nfs/dbraw/zinc/51/70/13/555517013.db2.gz YDBXRPPRSMRPDY-UHFFFAOYSA-N 0 0 440.540 4.779 50 0 IJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000647835 555521652 /nfs/dbraw/zinc/52/16/52/555521652.db2.gz QWHNOBBDBNKABN-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)o2)c1 ZINC000000653295 555523763 /nfs/dbraw/zinc/52/37/63/555523763.db2.gz BKPKOMQXPICDOL-NRFANRHFSA-N 0 0 442.409 4.711 50 0 IJAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)c1ccccc1 ZINC000000670117 555530411 /nfs/dbraw/zinc/53/04/11/555530411.db2.gz VMBKRTFEOCVFOK-AWEZNQCLSA-N 0 0 433.847 4.569 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(Cl)cc1Cl ZINC000000670659 555530726 /nfs/dbraw/zinc/53/07/26/555530726.db2.gz BLJFYITXVKFKSH-UHFFFAOYSA-N 0 0 447.343 4.997 50 0 IJAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2cccc3ccccc32)c1C(N)=O ZINC000000675080 555533943 /nfs/dbraw/zinc/53/39/43/555533943.db2.gz GYWVNRAEKOKVKQ-UHFFFAOYSA-N 0 0 430.529 4.917 50 0 IJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1c(F)cccc1Cl ZINC000000684388 555539196 /nfs/dbraw/zinc/53/91/96/555539196.db2.gz WZLIKLYMWOOMQH-IBGZPJMESA-N 0 0 430.892 4.887 50 0 IJAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000000687335 555540412 /nfs/dbraw/zinc/54/04/12/555540412.db2.gz IRRRSJHQZHLYLC-CQSZACIVSA-N 0 0 430.961 4.902 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000709176 555546169 /nfs/dbraw/zinc/54/61/69/555546169.db2.gz BMBUUPOJSFKUHT-KRWDZBQOSA-N 0 0 445.544 4.904 50 0 IJAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)cc1 ZINC000000722359 555550530 /nfs/dbraw/zinc/55/05/30/555550530.db2.gz YZNXVNLOWSCOAI-UHFFFAOYSA-N 0 0 436.533 4.688 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2ccc(Br)c(C)c2)sc2c1CCC2 ZINC000000726176 555551354 /nfs/dbraw/zinc/55/13/54/555551354.db2.gz QBFFFKNVBXVXDA-UHFFFAOYSA-N 0 0 438.343 4.502 50 0 IJAARN COC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@H](C)C2 ZINC000000729933 555552937 /nfs/dbraw/zinc/55/29/37/555552937.db2.gz DXQUBTOPJPBVDJ-JTQLQIEISA-N 0 0 428.337 4.984 50 0 IJAARN OC1(c2ccc(Br)cc2)CCN(Cc2ccc(Br)cc2)CC1 ZINC000000757047 555554102 /nfs/dbraw/zinc/55/41/02/555554102.db2.gz SNHYQAAJLBLMRA-UHFFFAOYSA-N 0 0 425.164 4.695 50 0 IJAARN CCc1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000821427 555563852 /nfs/dbraw/zinc/56/38/52/555563852.db2.gz SPSCOLYLNNKFIB-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN COc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000000825542 555564811 /nfs/dbraw/zinc/56/48/11/555564811.db2.gz IIANGXYEOPULEB-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000825895 555565232 /nfs/dbraw/zinc/56/52/32/555565232.db2.gz CAZMRVUANOUHSA-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN CC[C@@H](C)NC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845231 555569339 /nfs/dbraw/zinc/56/93/39/555569339.db2.gz ANZUIFGQDARNSJ-SNVBAGLBSA-N 0 0 441.251 4.706 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000000866996 555574316 /nfs/dbraw/zinc/57/43/16/555574316.db2.gz SEVFEQHVMKODQT-KGLIPLIRSA-N 0 0 442.800 4.859 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2-c2ccccc2)cc1 ZINC000000867241 555574381 /nfs/dbraw/zinc/57/43/81/555574381.db2.gz XRNDYJCOLVRLCQ-SFHVURJKSA-N 0 0 444.560 4.912 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000000867609 555574703 /nfs/dbraw/zinc/57/47/03/555574703.db2.gz ZYQBHZTZHKAHAF-MRXNPFEDSA-N 0 0 432.505 4.849 50 0 IJAARN CCn1c(=O)c2c(nc1SCC(=O)c1ccc(Br)cc1)sc1c2CCC1 ZINC000000870831 555575262 /nfs/dbraw/zinc/57/52/62/555575262.db2.gz JOAPIJQRSZNJSE-UHFFFAOYSA-N 0 0 449.395 4.704 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000876308 555576151 /nfs/dbraw/zinc/57/61/51/555576151.db2.gz ULRBBZUNHMPYOE-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000877931 555576491 /nfs/dbraw/zinc/57/64/91/555576491.db2.gz UZFDBWODWRBOOT-AWEZNQCLSA-N 0 0 427.595 4.610 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)c1 ZINC000000884089 555578352 /nfs/dbraw/zinc/57/83/52/555578352.db2.gz WCQKBTHHADHALD-OALUTQOASA-N 0 0 448.420 4.621 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000000885107 555578927 /nfs/dbraw/zinc/57/89/27/555578927.db2.gz GQWCLYVUYZTDTE-UHFFFAOYSA-N 0 0 449.359 4.823 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000000901396 555581469 /nfs/dbraw/zinc/58/14/69/555581469.db2.gz PEZVJQSOCWTCEK-UHFFFAOYSA-N 0 0 425.457 4.963 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCOCC2)C1 ZINC000000920978 555584714 /nfs/dbraw/zinc/58/47/14/555584714.db2.gz YVITWFPGYARKRX-KRWDZBQOSA-N 0 0 426.582 4.624 50 0 IJAARN Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1NC(=O)c1ccco1 ZINC000009666823 555585958 /nfs/dbraw/zinc/58/59/58/555585958.db2.gz UCEORMVFQLBLAD-UHFFFAOYSA-N 0 0 441.487 4.704 50 0 IJAARN COc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc(OC)c1OC ZINC000000959506 555591015 /nfs/dbraw/zinc/59/10/15/555591015.db2.gz YTURASJIVQLGJS-UHFFFAOYSA-N 0 0 441.867 4.837 50 0 IJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000976250 555592249 /nfs/dbraw/zinc/59/22/49/555592249.db2.gz UELTZEPCXQTCIN-UHFFFAOYSA-N 0 0 449.502 4.968 50 0 IJAARN Cc1cc2c3nnc(SCC(=O)Nc4cccc(C(F)(F)F)c4)nc3[nH]c2c(C)c1 ZINC000000976831 555592653 /nfs/dbraw/zinc/59/26/53/555592653.db2.gz VDPSLYYNDHZHFZ-UHFFFAOYSA-N 0 0 431.443 4.873 50 0 IJAARN O=C(COC(=O)c1ccccc1Br)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000992715 555596827 /nfs/dbraw/zinc/59/68/27/555596827.db2.gz ATXPFSGADIBAAF-UHFFFAOYSA-N 0 0 439.261 4.708 50 0 IJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000000992841 555597193 /nfs/dbraw/zinc/59/71/93/555597193.db2.gz GDXTZWQPGDSKJQ-UHFFFAOYSA-N 0 0 442.920 4.662 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c(C)c1 ZINC000000996133 555598715 /nfs/dbraw/zinc/59/87/15/555598715.db2.gz QBKNUERWGFFIJU-UHFFFAOYSA-N 0 0 430.533 4.988 50 0 IJAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C ZINC000001002812 555600517 /nfs/dbraw/zinc/60/05/17/555600517.db2.gz IHFWLQWWIRVQKN-UHFFFAOYSA-N 0 0 444.336 4.898 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000001003821 555600736 /nfs/dbraw/zinc/60/07/36/555600736.db2.gz KFBUXRFXLADKEX-UHFFFAOYSA-N 0 0 429.929 4.505 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(Br)c1 ZINC000001004056 555600809 /nfs/dbraw/zinc/60/08/09/555600809.db2.gz UAXINHSSSJKXET-UHFFFAOYSA-N 0 0 445.357 4.838 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000001008535 555601361 /nfs/dbraw/zinc/60/13/61/555601361.db2.gz DNUQGUKBUVGHDY-UHFFFAOYSA-N 0 0 434.924 4.709 50 0 IJAARN CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1[C@H](C(=O)OCC)CC2 ZINC000001034627 555607672 /nfs/dbraw/zinc/60/76/72/555607672.db2.gz SUJXBENNRMZWFQ-CYBMUJFWSA-N 0 0 436.917 4.815 50 0 IJAARN COC(=O)CSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000001042969 555610250 /nfs/dbraw/zinc/61/02/50/555610250.db2.gz QKNLZNIGLDPIPN-UHFFFAOYSA-N 0 0 439.242 4.925 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@@H]2CCCO2)o1 ZINC000001052780 555613593 /nfs/dbraw/zinc/61/35/93/555613593.db2.gz YGQIJDICXBIULM-INIZCTEOSA-N 0 0 432.929 4.727 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NC[C@H]2CCCO2)cc1 ZINC000001052943 555613953 /nfs/dbraw/zinc/61/39/53/555613953.db2.gz PEXFORJUIUBVIG-OAHLLOKOSA-N 0 0 432.929 4.727 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cccnc3)c2C(=O)OC(C)C)cc1OC ZINC000001054361 555614371 /nfs/dbraw/zinc/61/43/71/555614371.db2.gz ZWTUJBAJXWCGCS-UHFFFAOYSA-N 0 0 426.494 4.645 50 0 IJAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001059703 555615758 /nfs/dbraw/zinc/61/57/58/555615758.db2.gz ARNSPWNBWMCTQW-SFHVURJKSA-N 0 0 437.348 4.957 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001060353 555616104 /nfs/dbraw/zinc/61/61/04/555616104.db2.gz AQNWCORHMQGEQM-HSZRJFAPSA-N 0 0 438.487 4.751 50 0 IJAARN O=C(NC(=S)Nc1nc(-c2cccc3ccccc32)cs1)c1ccc2c(c1)OCCO2 ZINC000001064990 555617788 /nfs/dbraw/zinc/61/77/88/555617788.db2.gz ZALOOMIEUURYJP-UHFFFAOYSA-N 0 0 447.541 4.861 50 0 IJAARN COc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1ccccc1Cl ZINC000001067866 555619364 /nfs/dbraw/zinc/61/93/64/555619364.db2.gz RYSOMKGNUPSOES-UHFFFAOYSA-N 0 0 438.867 4.624 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(C)cc1 ZINC000001074712 555623633 /nfs/dbraw/zinc/62/36/33/555623633.db2.gz PVYSLVKPQQZDDN-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2C(F)(F)F)c(C)c1 ZINC000001077605 555625023 /nfs/dbraw/zinc/62/50/23/555625023.db2.gz ACGNQNRNEGATGU-IBGZPJMESA-N 0 0 427.430 4.841 50 0 IJAARN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001079775 555625927 /nfs/dbraw/zinc/62/59/27/555625927.db2.gz CDMQPIKEIKDMPA-UHFFFAOYSA-N 0 0 440.590 4.796 50 0 IJAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 ZINC000001088251 555626988 /nfs/dbraw/zinc/62/69/88/555626988.db2.gz IGBPACVZCRGTKI-UHFFFAOYSA-N 0 0 441.622 4.595 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000001088887 555627259 /nfs/dbraw/zinc/62/72/59/555627259.db2.gz LLWAUTOAGRHKOS-UHFFFAOYSA-N 0 0 449.507 4.654 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000001092963 555627495 /nfs/dbraw/zinc/62/74/95/555627495.db2.gz QEOSHMVYQJDVCF-OVSCLSOGSA-N 0 0 443.502 4.980 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc2ccccc21 ZINC000001099979 555628778 /nfs/dbraw/zinc/62/87/78/555628778.db2.gz RYBDVJOSERYPQN-UHFFFAOYSA-N 0 0 430.529 4.912 50 0 IJAARN O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001108338 555629862 /nfs/dbraw/zinc/62/98/62/555629862.db2.gz VGASMRQNILDAJW-QHCPKHFHSA-N 0 0 433.305 4.713 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000001111585 555631956 /nfs/dbraw/zinc/63/19/56/555631956.db2.gz WGENGIQLLVQPAA-UHFFFAOYSA-N 0 0 436.533 4.593 50 0 aggregator IJAARN Cc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)c1 ZINC000001121177 555637969 /nfs/dbraw/zinc/63/79/69/555637969.db2.gz YHOHLRJYXMMMRG-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN CCOc1ccc(-c2nnc(Nc3ccc(OCC(=O)NC)cc3)c3ccccc32)cc1 ZINC000001126713 555641337 /nfs/dbraw/zinc/64/13/37/555641337.db2.gz IISMXWHBGATYLI-UHFFFAOYSA-N 0 0 428.492 4.564 50 0 IJAARN CCc1ccc(OCC(=O)NC(=S)Nc2cccc(Cl)c2)c(Br)c1 ZINC000001129500 555643727 /nfs/dbraw/zinc/64/37/27/555643727.db2.gz LXCDMIYLRVDQAX-UHFFFAOYSA-N 0 0 427.751 4.557 50 0 IJAARN Cc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000001132010 555645060 /nfs/dbraw/zinc/64/50/60/555645060.db2.gz PBAOXKVVNHMTSQ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(CSCc2ccccc2)n1C ZINC000001133308 555646042 /nfs/dbraw/zinc/64/60/42/555646042.db2.gz GKGPGKUATDEBNX-UHFFFAOYSA-N 0 0 426.611 4.850 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000001138014 555648157 /nfs/dbraw/zinc/64/81/57/555648157.db2.gz ARJVXUSTSAIHPP-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C)cc2C)cc1 ZINC000001138944 555648349 /nfs/dbraw/zinc/64/83/49/555648349.db2.gz KRQUMIWITXDDST-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 ZINC000001139416 555649125 /nfs/dbraw/zinc/64/91/25/555649125.db2.gz NJARAILAXQYHHF-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 ZINC000001146764 555653778 /nfs/dbraw/zinc/65/37/78/555653778.db2.gz XXSIQJCWEQDIHQ-UHFFFAOYSA-N 0 0 438.549 4.612 50 0 IJAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccccc3)oc2c(-n2nc3ccccc3n2)c1 ZINC000001148862 555655299 /nfs/dbraw/zinc/65/52/99/555655299.db2.gz KEFWSPCNIRTBPF-INIZCTEOSA-N 0 0 443.532 4.840 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000001166440 555664030 /nfs/dbraw/zinc/66/40/30/555664030.db2.gz LWJVCOCFORHYPM-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)F)cc1 ZINC000001167470 555664896 /nfs/dbraw/zinc/66/48/96/555664896.db2.gz YXNKDADZDLUXLQ-CQSZACIVSA-N 0 0 432.370 4.748 50 0 IJAARN CCOc1cc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc(OCC)c1OCC ZINC000001174354 555668970 /nfs/dbraw/zinc/66/89/70/555668970.db2.gz DUEJYIZNLBAMAY-UHFFFAOYSA-N 0 0 445.566 4.619 50 0 IJAARN CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001179022 555670797 /nfs/dbraw/zinc/67/07/97/555670797.db2.gz GNLOBPAJLQDKFR-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2cc3ccccc3o2)sc2c1CCCC2 ZINC000001178457 555670815 /nfs/dbraw/zinc/67/08/15/555670815.db2.gz QMEZPRRCQZVSAA-UHFFFAOYSA-N 0 0 428.535 4.677 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000001206178 555680622 /nfs/dbraw/zinc/68/06/22/555680622.db2.gz DNXMMDSVBLTGLL-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000001206600 555680649 /nfs/dbraw/zinc/68/06/49/555680649.db2.gz UOHIBLQBUBAFPD-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc(OC)c1OC ZINC000001210229 555681944 /nfs/dbraw/zinc/68/19/44/555681944.db2.gz YSEGNDMFSDKRJE-UHFFFAOYSA-N 0 0 434.448 4.787 50 0 IJAARN O=C(Nc1ccccn1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001210925 555682195 /nfs/dbraw/zinc/68/21/95/555682195.db2.gz LBXNRCYCNGIQRA-UHFFFAOYSA-N 0 0 443.528 4.729 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(F)cc2)cc1 ZINC000001220293 555685740 /nfs/dbraw/zinc/68/57/40/555685740.db2.gz WYDPGNXSNLIHTC-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000001299746 555689355 /nfs/dbraw/zinc/68/93/55/555689355.db2.gz FMWFTXQEPJBNHG-UHFFFAOYSA-N 0 0 449.507 4.573 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1OC ZINC000001408140 555693974 /nfs/dbraw/zinc/69/39/74/555693974.db2.gz SKGUQEQHKXXJDD-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN Cc1cc(N2CCCC2=O)c(NC(=O)c2cccs2)cc1NC(=O)c1cccs1 ZINC000001425452 555695840 /nfs/dbraw/zinc/69/58/40/555695840.db2.gz VOQNGWSOIJLHEM-UHFFFAOYSA-N 0 0 425.535 4.749 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccccc1C ZINC000001434658 555696546 /nfs/dbraw/zinc/69/65/46/555696546.db2.gz BOLMITHWMNDGML-UHFFFAOYSA-N 0 0 428.554 4.856 50 0 IJAARN COc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000001436737 555696790 /nfs/dbraw/zinc/69/67/90/555696790.db2.gz CTZTVEDKZURXHC-JOCHJYFZSA-N 0 0 429.476 4.515 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001442339 555697925 /nfs/dbraw/zinc/69/79/25/555697925.db2.gz ZYWASLYFWPBFRS-QFIPXVFZSA-N 0 0 431.467 4.500 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1CCc1ccc(F)cc1 ZINC000001446133 555699022 /nfs/dbraw/zinc/69/90/22/555699022.db2.gz KMOLZGDAQJBCPU-DHIUTWEWSA-N 0 0 439.870 4.781 50 0 IJAARN CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1 ZINC000001655738 555708303 /nfs/dbraw/zinc/70/83/03/555708303.db2.gz PJLLCGNQPWXWGL-UHFFFAOYSA-N 0 0 432.472 4.564 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC ZINC000001817959 555718403 /nfs/dbraw/zinc/71/84/03/555718403.db2.gz RCULMNQRMLEFPE-UHFFFAOYSA-N 0 0 433.580 4.578 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)ccc3OC)s2)cc1 ZINC000001824495 555718746 /nfs/dbraw/zinc/71/87/46/555718746.db2.gz UMEBGVYLDSMJNW-UHFFFAOYSA-N 0 0 447.607 4.887 50 0 IJAARN FC(F)(F)c1cccc(C2(c3nnc(-c4ccc5c(c4)OCCO5)o3)CCOCC2)c1 ZINC000071889797 555727046 /nfs/dbraw/zinc/72/70/46/555727046.db2.gz IMLPQBMIWNJCNP-UHFFFAOYSA-N 0 0 432.398 4.623 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1cccc(F)c1)(Nc1ccc(C(C)C)cc1)C(F)(F)F ZINC000002050571 555728888 /nfs/dbraw/zinc/72/88/88/555728888.db2.gz QPBBTGZKDJNBTM-FQEVSTJZSA-N 0 0 426.410 4.613 50 0 IJAARN CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000002051995 555729184 /nfs/dbraw/zinc/72/91/84/555729184.db2.gz YNWHMXFCVUUPHQ-UHFFFAOYSA-N 0 0 427.320 4.599 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1 ZINC000002079187 555736890 /nfs/dbraw/zinc/73/68/90/555736890.db2.gz BDYDTHVESNRWOU-DEOSSOPVSA-N 0 0 443.543 4.751 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1NC(=O)c1ccc(OCC)cc1 ZINC000002087360 555740345 /nfs/dbraw/zinc/74/03/45/555740345.db2.gz MQXJRLMPSGEERU-UHFFFAOYSA-N 0 0 433.526 4.840 50 0 IJAARN NC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000002132478 555746598 /nfs/dbraw/zinc/74/65/98/555746598.db2.gz BCHLWUNRLGOKAA-UHFFFAOYSA-N 0 0 427.353 4.830 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 ZINC000002200862 555757534 /nfs/dbraw/zinc/75/75/34/555757534.db2.gz QOCSJEJYLINYER-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccn2)cc1 ZINC000002230873 555760310 /nfs/dbraw/zinc/76/03/10/555760310.db2.gz DKYDRIKBPIVSQV-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1ccc(OCC)cc1)COC(C)(C)C2 ZINC000002233613 555760541 /nfs/dbraw/zinc/76/05/41/555760541.db2.gz DRSKOKHJEPEZCT-UHFFFAOYSA-N 0 0 434.583 4.984 50 0 IJAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)cc1OC ZINC000002238497 555761174 /nfs/dbraw/zinc/76/11/74/555761174.db2.gz DGQAUSHMFUXZGF-PKTZIBPZSA-N 0 0 444.516 4.570 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccccc4F)C32)cc1 ZINC000002251292 555762526 /nfs/dbraw/zinc/76/25/26/555762526.db2.gz CFDNQXSJZDJKRD-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002353258 555771487 /nfs/dbraw/zinc/77/14/87/555771487.db2.gz IRHRGDRIRGKXSN-UHFFFAOYSA-N 0 0 445.885 4.878 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccn2)cc1 ZINC000002356719 555771658 /nfs/dbraw/zinc/77/16/58/555771658.db2.gz AVRYEGMFPQQZMH-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1c1nccs1 ZINC000002429025 555778101 /nfs/dbraw/zinc/77/81/01/555778101.db2.gz SMJNAJUGWAAPBR-INIZCTEOSA-N 0 0 439.290 4.762 50 0 IJAARN Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)no1 ZINC000002440686 555779010 /nfs/dbraw/zinc/77/90/10/555779010.db2.gz MFQPFIDDULJCMY-SFHVURJKSA-N 0 0 437.249 4.602 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000002452794 555782009 /nfs/dbraw/zinc/78/20/09/555782009.db2.gz AFBMCUNLYARXNK-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1 ZINC000002474748 555783535 /nfs/dbraw/zinc/78/35/35/555783535.db2.gz MJVVBWQZFWJWOP-HNAYVOBHSA-N 0 0 444.413 4.833 50 0 IJAARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Br)cc1 ZINC000002497214 555784471 /nfs/dbraw/zinc/78/44/71/555784471.db2.gz PRNUESQLWCIKMA-UHFFFAOYSA-N 0 0 448.338 4.816 50 0 IJAARN CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCc2ccncc2)cc1 ZINC000034679935 555792307 /nfs/dbraw/zinc/79/23/07/555792307.db2.gz XPHNRPQDVBOSJB-UHFFFAOYSA-N 0 0 433.527 4.659 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1ccccn1 ZINC000034672374 555793456 /nfs/dbraw/zinc/79/34/56/555793456.db2.gz UKVQYIXMNAXGLY-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)cc1 ZINC000034679651 555798751 /nfs/dbraw/zinc/79/87/51/555798751.db2.gz FMVVRKVNJSZRRH-UHFFFAOYSA-N 0 0 428.532 4.611 50 0 IJAARN O=C(c1ccc(F)cc1)N(C[C@H]1CN(Cc2ccc(Cl)cc2)CCO1)C1CCCC1 ZINC000034691948 555805122 /nfs/dbraw/zinc/80/51/22/555805122.db2.gz QAJCQPZWJLXZOK-HSZRJFAPSA-N 0 0 430.951 4.765 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)cc1OC)Nc1ccccc1-2 ZINC000002742071 555807475 /nfs/dbraw/zinc/80/74/75/555807475.db2.gz BUBIDQVHEIDPBH-FQEVSTJZSA-N 0 0 440.525 4.570 50 0 IJAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC3CC3)cc2)c1 ZINC000034680036 555813145 /nfs/dbraw/zinc/81/31/45/555813145.db2.gz DRPOKGKTIWXXRU-UHFFFAOYSA-N 0 0 446.522 4.750 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccccc1 ZINC000002767180 555814049 /nfs/dbraw/zinc/81/40/49/555814049.db2.gz XRZLANQKUYTZDY-UHFFFAOYSA-N 0 0 438.505 4.746 50 0 IJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)Nc4ccccc4C)cn3)CC2)cc1 ZINC000034681147 555814352 /nfs/dbraw/zinc/81/43/52/555814352.db2.gz PPAXRIMSEHZPCJ-UHFFFAOYSA-N 0 0 443.551 4.695 50 0 IJAARN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000002769803 555814868 /nfs/dbraw/zinc/81/48/68/555814868.db2.gz DBZDBCXMXFABBN-QKKBWIMNSA-N 0 0 425.326 4.962 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769226 555814976 /nfs/dbraw/zinc/81/49/76/555814976.db2.gz PUJFJKWAOBFBTD-UHFFFAOYSA-N 0 0 426.854 4.960 50 0 IJAARN CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683397 555818767 /nfs/dbraw/zinc/81/87/67/555818767.db2.gz PYQJPPAYIJIHMA-UHFFFAOYSA-N 0 0 440.584 4.682 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708223 555822803 /nfs/dbraw/zinc/82/28/03/555822803.db2.gz WTAMVORCMIVZKN-FNZWTVRRSA-N 0 0 442.559 4.686 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711923 555825125 /nfs/dbraw/zinc/82/51/25/555825125.db2.gz SLAWQWSJVRNCHD-SFHVURJKSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(NCc1cccnc1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2)n1 ZINC000034712078 555825499 /nfs/dbraw/zinc/82/54/99/555825499.db2.gz SKLJYUMOSPGVMA-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN COCCNC(=O)c1csc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000034712918 555826075 /nfs/dbraw/zinc/82/60/75/555826075.db2.gz TXUBDMPBGUMBMP-UHFFFAOYSA-N 0 0 436.455 4.784 50 0 IJAARN C[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002815732 555828751 /nfs/dbraw/zinc/82/87/51/555828751.db2.gz KWOJHQMNZFTJOV-IBGZPJMESA-N 0 0 442.581 4.640 50 0 IJAARN CCOc1ccc(N[C@@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)cc1 ZINC000002819393 555829410 /nfs/dbraw/zinc/82/94/10/555829410.db2.gz SCXXOMIXPOVDLZ-FQEVSTJZSA-N 0 0 437.517 4.626 50 0 IJAARN CCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002838226 555834118 /nfs/dbraw/zinc/83/41/18/555834118.db2.gz AZLVQHLBLJGNOR-UHFFFAOYSA-N 0 0 436.577 4.920 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000002841916 555836109 /nfs/dbraw/zinc/83/61/09/555836109.db2.gz VRLJIZVEWQYBAY-OAHLLOKOSA-N 0 0 428.583 4.891 50 0 IJAARN O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccccc1Br ZINC000002844606 555837018 /nfs/dbraw/zinc/83/70/18/555837018.db2.gz AAWKOCICHNBACY-UHFFFAOYSA-N 0 0 431.307 4.639 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000002851106 555839211 /nfs/dbraw/zinc/83/92/11/555839211.db2.gz VPVLLFJEXXRCJR-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000002851351 555839511 /nfs/dbraw/zinc/83/95/11/555839511.db2.gz BTFBCJFVNIQUBO-UHFFFAOYSA-N 0 0 431.359 4.534 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000002855581 555841445 /nfs/dbraw/zinc/84/14/45/555841445.db2.gz JNKDNSTXYOLRAY-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1Br ZINC000002857565 555842340 /nfs/dbraw/zinc/84/23/40/555842340.db2.gz KKRKFJKOJMBTPP-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000002859461 555843585 /nfs/dbraw/zinc/84/35/85/555843585.db2.gz OEPVUUSVYXPUGZ-GOEBONIOSA-N 0 0 428.558 4.507 50 0 IJAARN CCOc1cc(-c2nc3ccccc3s2)cc(I)c1OC(C)=O ZINC000002879500 555854324 /nfs/dbraw/zinc/85/43/24/555854324.db2.gz BUUHCFRXUYWBEO-UHFFFAOYSA-N 0 0 439.274 4.892 50 0 IJAARN Cc1cccc(CNC(=O)[C@H]2CC[C@@H](c3ccc(F)c(C)c3)N(C(=O)NC(C)C)C2)c1 ZINC000034716008 555865442 /nfs/dbraw/zinc/86/54/42/555865442.db2.gz OWHSCFJGMUQJMG-GMAHTHKFSA-N 0 0 425.548 4.630 50 0 IJAARN Cc1ccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1 ZINC000002977855 555870411 /nfs/dbraw/zinc/87/04/11/555870411.db2.gz SBIHVEWUWRRAGN-UHFFFAOYSA-N 0 0 436.324 4.979 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccc(C)c(C)c2)cc1 ZINC000002979881 555871925 /nfs/dbraw/zinc/87/19/25/555871925.db2.gz XPUBPPBCULKXEY-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1cc(Br)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)c1O ZINC000003005389 555878471 /nfs/dbraw/zinc/87/84/71/555878471.db2.gz GPRSHWJURMMFKM-UHFFFAOYSA-N 0 0 435.343 4.787 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CCCC1)CC2 ZINC000034726241 555882051 /nfs/dbraw/zinc/88/20/51/555882051.db2.gz COKWFDKOJXKKDC-SANMLTNESA-N 0 0 434.580 4.564 50 0 IJAARN O=C(Nc1ccccc1N1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O)C1CC1 ZINC000034735194 555885111 /nfs/dbraw/zinc/88/51/11/555885111.db2.gz ARBMVNRJVWNYNX-UHFFFAOYSA-N 0 0 433.430 4.766 50 0 IJAARN COc1ccc(CN2CCc3nc(N4CCCC4)nc(Oc4cccc(C)c4)c3C2)cc1 ZINC000034755659 555900771 /nfs/dbraw/zinc/90/07/71/555900771.db2.gz RPOSOXUCPLRENO-UHFFFAOYSA-N 0 0 430.552 4.744 50 0 IJAARN COc1cccc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755976 555901136 /nfs/dbraw/zinc/90/11/36/555901136.db2.gz RNWUGLLXHHVGKR-UHFFFAOYSA-N 0 0 430.552 4.826 50 0 IJAARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000034810126 555908403 /nfs/dbraw/zinc/90/84/03/555908403.db2.gz ZESJGZIZFFJTGT-UHFFFAOYSA-N 0 0 447.583 4.856 50 0 IJAARN CCCCc1nc2onc(-c3ccccc3)c2c(N2CCCN(C(=O)C(C)(C)C)CC2)n1 ZINC000034810376 555908422 /nfs/dbraw/zinc/90/84/22/555908422.db2.gz VZZWAKRTQGEKPC-UHFFFAOYSA-N 0 0 435.572 4.712 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCSc3nnc(COc4ccc5c(c4)CCC5)n32)cc1 ZINC000034812373 555909763 /nfs/dbraw/zinc/90/97/63/555909763.db2.gz ALCDRXBNANECLY-UHFFFAOYSA-N 0 0 448.592 4.527 50 0 IJAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccc(C)cc3Oc3ccc(C)cc32)CC1 ZINC000034813754 555910713 /nfs/dbraw/zinc/91/07/13/555910713.db2.gz XJPGUIQKNFFHPP-UHFFFAOYSA-N 0 0 441.531 4.954 50 0 IJAARN CC1CCN(c2nnc(C(=O)NCc3cccc(C(F)(F)F)c3)c3ccccc32)CC1 ZINC000034837893 555914486 /nfs/dbraw/zinc/91/44/86/555914486.db2.gz ZKIGZDJYGSTZRK-UHFFFAOYSA-N 0 0 428.458 4.815 50 0 IJAARN CCCCC(=O)NCCCNC(=O)c1csc(COc2cc(C)ccc2C(C)C)n1 ZINC000034906015 555920338 /nfs/dbraw/zinc/92/03/38/555920338.db2.gz XOLYUAGDRXMCEH-UHFFFAOYSA-N 0 0 431.602 4.580 50 0 IJAARN COc1ccc(NC(=O)Nc2c(-c3ccc(OC)c(OC)c3)nc3ccc(C)cn32)cc1 ZINC000034915080 555929862 /nfs/dbraw/zinc/92/98/62/555929862.db2.gz JTKGBAUPYWVWHF-UHFFFAOYSA-N 0 0 432.480 4.980 50 0 IJAARN COc1cccc([C@@H](CN2CCN(C(=O)CC(C)C)CC2)OCc2cccc(Cl)c2)c1 ZINC000034915449 555930257 /nfs/dbraw/zinc/93/02/57/555930257.db2.gz MPDQPHYKPHTFEO-XMMPIXPASA-N 0 0 445.003 4.797 50 0 IJAARN Cc1ccccc1NC(=O)c1c(C)nc2sc(C(N)=O)c(N)c2c1-c1cccc(F)c1 ZINC000003625136 555941442 /nfs/dbraw/zinc/94/14/42/555941442.db2.gz CBIQNHMRRJEMNJ-UHFFFAOYSA-N 0 0 434.496 4.653 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCC4=CCCCC4)nn3c2C)cc1 ZINC000003631771 555942095 /nfs/dbraw/zinc/94/20/95/555942095.db2.gz RGBWXMGUEHRLLI-UHFFFAOYSA-N 0 0 449.624 4.739 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000003636295 555942422 /nfs/dbraw/zinc/94/24/22/555942422.db2.gz LBOYBDLADORTFZ-VWLOTQADSA-N 0 0 432.545 4.764 50 0 biogenic IJAARN Cc1c(Cl)cccc1Nc1nc(N)nc(CSC(=S)N(C)C2CCCCC2)n1 ZINC000003636173 555942478 /nfs/dbraw/zinc/94/24/78/555942478.db2.gz MGDMUYQFLIVPFF-UHFFFAOYSA-N 0 0 437.038 4.942 50 0 IJAARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=c1\sc2nc3ccccc3n2c1=O ZINC000004048108 555955470 /nfs/dbraw/zinc/95/54/70/555955470.db2.gz JECZTVCZQUEOIK-QTUMOOBRSA-N 0 0 435.574 4.671 50 0 IJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000004089548 555961394 /nfs/dbraw/zinc/96/13/94/555961394.db2.gz NGMISRQRDFEARR-UHFFFAOYSA-N 0 0 437.521 4.838 50 0 IJAARN CCOc1ccc(C(=O)NCCCCCCCNC(=O)c2ccc(OCC)cc2)cc1 ZINC000004614020 556004193 /nfs/dbraw/zinc/00/41/93/556004193.db2.gz UZMUFVNEDQLLEN-UHFFFAOYSA-N 0 0 426.557 4.594 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)nc(NCCc3ccc(OC)c(OC)c3)n2)c1 ZINC000004757755 556010069 /nfs/dbraw/zinc/01/00/69/556010069.db2.gz QXDIOTJNGGHLOM-UHFFFAOYSA-N 0 0 433.430 4.843 50 0 IJAARN Cc1ccc(S(=O)(=O)NCCSc2cc(C(F)(F)F)nc3ccccc32)cc1 ZINC000006198891 556080613 /nfs/dbraw/zinc/08/06/13/556080613.db2.gz CGSDRIMZNYPWCW-UHFFFAOYSA-N 0 0 426.485 4.633 50 0 IJAARN S=C(NCc1ccco1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000006475638 556090702 /nfs/dbraw/zinc/09/07/02/556090702.db2.gz DRWQOLFUQYSUHE-UHFFFAOYSA-N 0 0 438.516 4.833 50 0 IJAARN COc1ccc(C2=NN(CN3c4ccccc4C(=O)C3=O)[C@H](c3ccccc3Cl)C2)cc1 ZINC000006924910 556110832 /nfs/dbraw/zinc/11/08/32/556110832.db2.gz ZRTXJTLAOSANQF-QHCPKHFHSA-N 0 0 445.906 4.687 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000002694486 556121197 /nfs/dbraw/zinc/12/11/97/556121197.db2.gz FKNHJOKJJMHXNZ-JOCHJYFZSA-N 0 0 429.538 4.841 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccc(OC)c4)C32)c1 ZINC000002707352 556124149 /nfs/dbraw/zinc/12/41/49/556124149.db2.gz DUFYQJXIGFIUOO-RPBOFIJWSA-N 0 0 438.487 4.855 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3cc4cc(Cl)cc(Cl)c4oc3=O)CC2)c1C ZINC000002707872 556124437 /nfs/dbraw/zinc/12/44/37/556124437.db2.gz AVVKDDAJLYDWDI-UHFFFAOYSA-N 0 0 431.319 4.679 50 0 IJAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCCCC1 ZINC000002722271 556127910 /nfs/dbraw/zinc/12/79/10/556127910.db2.gz MXKDVAUXKHWLGX-UHFFFAOYSA-N 0 0 444.984 4.519 50 0 IJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCCC2=O)cc1 ZINC000002714715 556129912 /nfs/dbraw/zinc/12/99/12/556129912.db2.gz QSTQSWSEMARTOF-UHFFFAOYSA-N 0 0 441.535 4.521 50 0 IJAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4cc(C)ccc4C)cccc3C2=O)c1 ZINC000002716549 556131039 /nfs/dbraw/zinc/13/10/39/556131039.db2.gz PYBMMWJDDNIDHG-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCCSc3ccc(Cl)cc3)sc2c1 ZINC000002725964 556133619 /nfs/dbraw/zinc/13/36/19/556133619.db2.gz LWMTZIJTIDBSCR-UHFFFAOYSA-N 0 0 440.999 4.864 50 0 IJAARN CC[C@H]1CCc2c(sc3ncn4nc(Cn5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 ZINC000002789861 556139301 /nfs/dbraw/zinc/13/93/01/556139301.db2.gz DMEJUIRUMVLRNA-NSHDSACASA-N 0 0 446.502 4.995 50 0 IJAARN FC(F)(F)c1cccc(-c2nc(-c3cccnc3)ncc2-c2nnnn2-c2ccccc2)c1 ZINC000008445471 556179640 /nfs/dbraw/zinc/17/96/40/556179640.db2.gz SEZHNBJQZAKKKT-UHFFFAOYSA-N 0 0 445.408 4.867 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000008453378 556184414 /nfs/dbraw/zinc/18/44/14/556184414.db2.gz GKJWYULRCHAYTN-QWRGUYRKSA-N 0 0 443.135 4.671 50 0 IJAARN CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000008456240 556185802 /nfs/dbraw/zinc/18/58/02/556185802.db2.gz GVOTYKYXEVYBIC-UHFFFAOYSA-N 0 0 433.570 4.955 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2(Br)c2ccccc21 ZINC000003062925 556187116 /nfs/dbraw/zinc/18/71/16/556187116.db2.gz LZKZQEPVGVYEPX-ZKKFKWFVSA-N 0 0 444.328 4.585 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1F ZINC000008594888 556189898 /nfs/dbraw/zinc/18/98/98/556189898.db2.gz IMJWKMNNWGJKST-DEOSSOPVSA-N 0 0 436.483 4.753 50 0 IJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)c1 ZINC000008604609 556191356 /nfs/dbraw/zinc/19/13/56/556191356.db2.gz RVEKRFXLCOMSIU-OAQYLSRUSA-N 0 0 438.505 4.506 50 0 IJAARN COC(=O)c1ccccc1NC(=O)COc1ccc2oc(-c3ccc(C)cc3)cc(=O)c2c1 ZINC000008717781 556202462 /nfs/dbraw/zinc/20/24/62/556202462.db2.gz GWRRVTZKJSCKEU-UHFFFAOYSA-N 0 0 443.455 4.573 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1Br ZINC000008723200 556203685 /nfs/dbraw/zinc/20/36/85/556203685.db2.gz FYPSJNFZFUAZGK-UHFFFAOYSA-N 0 0 425.348 4.658 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008745154 556208809 /nfs/dbraw/zinc/20/88/09/556208809.db2.gz PHAJIDGRESEKKO-INIZCTEOSA-N 0 0 432.505 4.830 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1Cl ZINC000008801751 556216396 /nfs/dbraw/zinc/21/63/96/556216396.db2.gz QHHAGKKNDWKSAB-FQEVSTJZSA-N 0 0 437.883 4.676 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)NCc1ccoc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000008856437 556227347 /nfs/dbraw/zinc/22/73/47/556227347.db2.gz YDWVTUYHRMEEKK-UHFFFAOYSA-N 0 0 436.895 4.752 50 0 IJAARN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1 ZINC000008916231 556232887 /nfs/dbraw/zinc/23/28/87/556232887.db2.gz LSVCPTYHDJFKGG-UHFFFAOYSA-N 0 0 429.549 4.979 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)c1ccccc1 ZINC000009171257 556249733 /nfs/dbraw/zinc/24/97/33/556249733.db2.gz LUMRERCINMCUMH-HXUWFJFHSA-N 0 0 434.517 4.682 50 0 IJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)N1c1ccc(F)c(F)c1 ZINC000009225696 556259528 /nfs/dbraw/zinc/25/95/28/556259528.db2.gz QKDDWRDXXHBJST-HSZRJFAPSA-N 0 0 440.446 4.584 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225653 556259543 /nfs/dbraw/zinc/25/95/43/556259543.db2.gz JVQGJPFJDUGYKR-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(C)ccc3C)c2c1 ZINC000009228298 556261075 /nfs/dbraw/zinc/26/10/75/556261075.db2.gz AYQTZAGDEWMEDB-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239571 556265818 /nfs/dbraw/zinc/26/58/18/556265818.db2.gz GPTOUUGGXLORFC-ZWKOTPCHSA-N 0 0 447.486 4.647 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239573 556265845 /nfs/dbraw/zinc/26/58/45/556265845.db2.gz GPTOUUGGXLORFC-MSOLQXFVSA-N 0 0 447.486 4.647 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(Cl)c4)n3C)oc21 ZINC000009260630 556268389 /nfs/dbraw/zinc/26/83/89/556268389.db2.gz LKVSGSGYQNKDDM-UHFFFAOYSA-N 0 0 428.901 4.621 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000009260919 556268666 /nfs/dbraw/zinc/26/86/66/556268666.db2.gz ASJZNKZNABXZGR-WIYYLYMNSA-N 0 0 436.581 4.633 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294994 556274604 /nfs/dbraw/zinc/27/46/04/556274604.db2.gz AYZXOOAIBODGQD-MOPGFXCFSA-N 0 0 445.951 4.729 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(OC)cc2)cc1 ZINC000013686284 556276482 /nfs/dbraw/zinc/27/64/82/556276482.db2.gz FDJZELPCVFLZPD-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC ZINC000009307768 556277560 /nfs/dbraw/zinc/27/75/60/556277560.db2.gz OKGPGEPNUGDBBD-UHFFFAOYSA-N 0 0 446.960 4.660 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 ZINC000009307560 556277582 /nfs/dbraw/zinc/27/75/82/556277582.db2.gz HJMMDKAYRZNBKF-UHFFFAOYSA-N 0 0 448.548 4.943 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1cccc2ccccc21 ZINC000009308203 556277865 /nfs/dbraw/zinc/27/78/65/556277865.db2.gz LTYLUNLADAHSEI-UHFFFAOYSA-N 0 0 441.516 4.865 50 0 IJAARN O=c1n2nc(-c3ccncc3)nc2c2c3c(sc2n1Cc1ccccc1Cl)CCCC3 ZINC000013689266 556278690 /nfs/dbraw/zinc/27/86/90/556278690.db2.gz KNZRNFGQPHXJKW-UHFFFAOYSA-N 0 0 447.951 4.748 50 0 IJAARN Cc1csc(NC(=O)COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)n1 ZINC000013691696 556281055 /nfs/dbraw/zinc/28/10/55/556281055.db2.gz LOJJPOCNZORBOF-UHFFFAOYSA-N 0 0 426.881 4.896 50 0 IJAARN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000009360280 556285870 /nfs/dbraw/zinc/28/58/70/556285870.db2.gz NCNOYGHUCBMXQN-DXNYSGJVSA-N 0 0 441.064 4.829 50 0 IJAARN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(OC(C)C)c2)no1 ZINC000009446584 556292525 /nfs/dbraw/zinc/29/25/25/556292525.db2.gz PUMPMHNIBFHNHL-QFIPXVFZSA-N 0 0 430.460 4.935 50 0 IJAARN O=C(NCc1ccccc1Cl)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000013739203 556298155 /nfs/dbraw/zinc/29/81/55/556298155.db2.gz ZLAYBMMXYXTYLY-UHFFFAOYSA-N 0 0 429.973 4.519 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000032744884 556299664 /nfs/dbraw/zinc/29/96/64/556299664.db2.gz DVPTYFOCWZISNE-LSDHHAIUSA-N 0 0 429.538 4.542 50 0 IJAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(OC(C)C)cc2)s1 ZINC000013758634 556301180 /nfs/dbraw/zinc/30/11/80/556301180.db2.gz JZDXUCNGAQURGN-HXUWFJFHSA-N 0 0 447.516 4.798 50 0 IJAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)c3)nn12 ZINC000009594024 556301459 /nfs/dbraw/zinc/30/14/59/556301459.db2.gz BLUIYMDMDOBHJX-UHFFFAOYSA-N 0 0 435.553 4.919 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013776497 556307496 /nfs/dbraw/zinc/30/74/96/556307496.db2.gz NKTVGCVHSBNONZ-QFQXNSOFSA-N 0 0 446.503 4.963 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013806442 556311243 /nfs/dbraw/zinc/31/12/43/556311243.db2.gz KRABEFAWQGNOTJ-NJDAHSKKSA-N 0 0 440.833 4.669 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1 ZINC000032752690 556313360 /nfs/dbraw/zinc/31/33/60/556313360.db2.gz QLESXQWJASOROW-QFIPXVFZSA-N 0 0 436.581 4.855 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)c1ccco1 ZINC000032745421 556315395 /nfs/dbraw/zinc/31/53/95/556315395.db2.gz ZPQLFNKZVORDHV-HNNXBMFYSA-N 0 0 447.520 4.630 50 0 IJAARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000013844925 556318806 /nfs/dbraw/zinc/31/88/06/556318806.db2.gz SUNSRSNGCPYKPP-VWLOTQADSA-N 0 0 425.488 4.751 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2cccc(Cl)c2)cc1 ZINC000013940797 556338194 /nfs/dbraw/zinc/33/81/94/556338194.db2.gz LDWPPLCZMSIOOH-UHFFFAOYSA-N 0 0 447.000 4.850 50 0 IJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000013946201 556343746 /nfs/dbraw/zinc/34/37/46/556343746.db2.gz LHDFNBRVHRARQD-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN Cc1ccccc1Cn1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)n1 ZINC000013960924 556348332 /nfs/dbraw/zinc/34/83/32/556348332.db2.gz XJQNRCBIWIQTSQ-UHFFFAOYSA-N 0 0 426.524 4.529 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1OCC ZINC000014020079 556356289 /nfs/dbraw/zinc/35/62/89/556356289.db2.gz PVFDZYMFLLINTR-UHFFFAOYSA-N 0 0 441.919 4.768 50 0 IJAARN O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)N1CCC(Sc2ccc(F)cc2)CC1 ZINC000011815298 556358486 /nfs/dbraw/zinc/35/84/86/556358486.db2.gz BOQASBAIEMRMTJ-HSZRJFAPSA-N 0 0 446.613 4.642 50 0 IJAARN Cc1cc(C)n(CCCN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)n1 ZINC000011821499 556362889 /nfs/dbraw/zinc/36/28/89/556362889.db2.gz LOZCSURYZFURNA-QHCPKHFHSA-N 0 0 433.556 4.571 50 0 IJAARN CN(Cc1cc2ccccc2s1)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000011842997 556366365 /nfs/dbraw/zinc/36/63/65/556366365.db2.gz ICYZPQKJVKIKKG-UHFFFAOYSA-N 0 0 430.533 4.948 50 0 IJAARN CN(c1ccc(OCc2nc3ccccc3s2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000014110986 556369725 /nfs/dbraw/zinc/36/97/25/556369725.db2.gz MYXZYJFGZLVAJY-UHFFFAOYSA-N 0 0 428.510 4.840 50 0 IJAARN COc1cc(Br)c(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000014119451 556371870 /nfs/dbraw/zinc/37/18/70/556371870.db2.gz SEKMCZGASQCCNP-NSHDSACASA-N 0 0 446.263 4.905 50 0 IJAARN COc1cc(Br)c(CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000014119454 556371972 /nfs/dbraw/zinc/37/19/72/556371972.db2.gz SEKMCZGASQCCNP-LLVKDONJSA-N 0 0 446.263 4.905 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014123422 556372423 /nfs/dbraw/zinc/37/24/23/556372423.db2.gz OBLJSWVVWGARSU-CYBMUJFWSA-N 0 0 441.881 4.819 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000011910339 556375035 /nfs/dbraw/zinc/37/50/35/556375035.db2.gz KEGDKHMCCJZPNC-CUBQBAPOSA-N 0 0 444.550 4.967 50 0 IJAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN(C)Cc1ccco1 ZINC000014139443 556376140 /nfs/dbraw/zinc/37/61/40/556376140.db2.gz HKVHXPZRHWKNMH-UHFFFAOYSA-N 0 0 432.929 4.909 50 0 IJAARN O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1ccc2c(c1)CC(=O)N2 ZINC000014141891 556376701 /nfs/dbraw/zinc/37/67/01/556376701.db2.gz AZOOFSLCZKLOOZ-UHFFFAOYSA-N 0 0 432.549 4.785 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000011933400 556376819 /nfs/dbraw/zinc/37/68/19/556376819.db2.gz ROIAIUSOABIWHH-LJQANCHMSA-N 0 0 434.446 4.921 50 0 IJAARN O=C(Nc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1)c1cccs1 ZINC000014171444 556381902 /nfs/dbraw/zinc/38/19/02/556381902.db2.gz PENYRRYNMYIEIC-UHFFFAOYSA-N 0 0 426.567 4.695 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1sc3nc(C)cc(C)c3c1N)CCCC2 ZINC000011991197 556383852 /nfs/dbraw/zinc/38/38/52/556383852.db2.gz OJBDGIDAFFOBDW-UHFFFAOYSA-N 0 0 429.567 4.865 50 0 IJAARN O=C(CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)NCc1cccc(-n2cccn2)c1 ZINC000011997085 556384199 /nfs/dbraw/zinc/38/41/99/556384199.db2.gz VDUQQJGGCHIGCE-UHFFFAOYSA-N 0 0 449.514 4.838 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000014185172 556385119 /nfs/dbraw/zinc/38/51/19/556385119.db2.gz FCBODUOZYURNFM-UHFFFAOYSA-N 0 0 447.516 4.532 50 0 IJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000012017588 556386653 /nfs/dbraw/zinc/38/66/53/556386653.db2.gz HPEUIIQOVQZUHQ-DNVJHFABSA-N 0 0 448.906 4.708 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000014197871 556389420 /nfs/dbraw/zinc/38/94/20/556389420.db2.gz QREMJDDIYIWOCB-UHFFFAOYSA-N 0 0 445.548 4.589 50 0 IJAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)c1 ZINC000012062029 556395100 /nfs/dbraw/zinc/39/51/00/556395100.db2.gz QFXDNKNWDTZWQW-FQEVSTJZSA-N 0 0 438.531 4.528 50 0 IJAARN CC(C)c1nc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012075096 556397154 /nfs/dbraw/zinc/39/71/54/556397154.db2.gz YLBYYVUVYYRJJE-MRXNPFEDSA-N 0 0 434.005 4.869 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014238012 556399945 /nfs/dbraw/zinc/39/99/45/556399945.db2.gz LAKSRQFTHFHBAC-MRXNPFEDSA-N 0 0 440.590 4.956 50 0 IJAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000014238390 556400307 /nfs/dbraw/zinc/40/03/07/556400307.db2.gz FSUBNWJVMYDHSU-UZUQRXQVSA-N 0 0 427.591 4.790 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014241944 556402309 /nfs/dbraw/zinc/40/23/09/556402309.db2.gz KKWQDTHONHSJAJ-SFHVURJKSA-N 0 0 447.608 4.637 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2sccc2-c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000014241743 556402323 /nfs/dbraw/zinc/40/23/23/556402323.db2.gz NUDPCKMMIAPYIN-QHCPKHFHSA-N 0 0 436.577 4.535 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000014244865 556404366 /nfs/dbraw/zinc/40/43/66/556404366.db2.gz SGWCPADHARBRNT-IBGZPJMESA-N 0 0 433.501 4.532 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000032578475 556405143 /nfs/dbraw/zinc/40/51/43/556405143.db2.gz KSFAKKCNZSTOCS-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1cc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc(OC)c1 ZINC000032578648 556405563 /nfs/dbraw/zinc/40/55/63/556405563.db2.gz JPXIBGTYCXTEAD-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)c(F)c4)cc3)n2)cc1 ZINC000032578641 556405569 /nfs/dbraw/zinc/40/55/69/556405569.db2.gz JGPQOWUFYYNCMY-UHFFFAOYSA-N 0 0 437.402 4.708 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000032578849 556405766 /nfs/dbraw/zinc/40/57/66/556405766.db2.gz BPXWXGRWPPJEFQ-UHFFFAOYSA-N 0 0 437.402 4.708 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)cc1C ZINC000032593883 556407436 /nfs/dbraw/zinc/40/74/36/556407436.db2.gz KTLRYQGDIFNHJE-UHFFFAOYSA-N 0 0 434.311 4.744 50 0 IJAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000032593838 556407442 /nfs/dbraw/zinc/40/74/42/556407442.db2.gz ZTEDQYUELNSGCC-UHFFFAOYSA-N 0 0 429.910 4.843 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc43)n2)cc1 ZINC000014250424 556408577 /nfs/dbraw/zinc/40/85/77/556408577.db2.gz ZNLUJTXDYZAJLH-UHFFFAOYSA-N 0 0 432.505 4.643 50 0 IJAARN COc1ccc(Br)cc1CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000014253464 556410110 /nfs/dbraw/zinc/41/01/10/556410110.db2.gz ISIKAUXIJSHVNG-INIZCTEOSA-N 0 0 435.299 4.646 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1Cl ZINC000014261029 556410876 /nfs/dbraw/zinc/41/08/76/556410876.db2.gz PZDPURCAHJCXLB-UHFFFAOYSA-N 0 0 436.899 4.867 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4OC)cc3)n2)cc1 ZINC000032624040 556411202 /nfs/dbraw/zinc/41/12/02/556411202.db2.gz GZUXSGOMCXMOIS-INIZCTEOSA-N 0 0 445.475 4.827 50 0 IJAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)CCC4CCCC4)CC3)c2)s1 ZINC000012752787 556411490 /nfs/dbraw/zinc/41/14/90/556411490.db2.gz WRHXUBZAIVSAAN-UHFFFAOYSA-N 0 0 426.586 4.661 50 0 IJAARN Cn1c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)nc2ccccc21 ZINC000032819196 556412013 /nfs/dbraw/zinc/41/20/13/556412013.db2.gz YCFUVEZLMLLUGE-UHFFFAOYSA-N 0 0 428.517 4.937 50 0 IJAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000032837424 556418781 /nfs/dbraw/zinc/41/87/81/556418781.db2.gz ONDVHWMBTHZMKQ-UHFFFAOYSA-N 0 0 425.366 4.537 50 0 IJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000014526336 556419968 /nfs/dbraw/zinc/41/99/68/556419968.db2.gz GAPWKLIUTBIHKH-INIZCTEOSA-N 0 0 435.915 4.728 50 0 IJAARN O=C(c1cccc(I)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012974972 556420888 /nfs/dbraw/zinc/42/08/88/556420888.db2.gz DCJQWVPQNYDXJL-CQSZACIVSA-N 0 0 448.329 4.921 50 0 IJAARN CN1C(=O)Cc2cc(C(=O)CSc3nnc(-c4ccccc4)c4ccccc43)ccc21 ZINC000012975906 556421648 /nfs/dbraw/zinc/42/16/48/556421648.db2.gz VICKACSGKDYKEU-UHFFFAOYSA-N 0 0 425.513 4.791 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)ccc21 ZINC000012977360 556422441 /nfs/dbraw/zinc/42/24/41/556422441.db2.gz ZKAKZVBEFSULNU-UHFFFAOYSA-N 0 0 428.315 4.590 50 0 IJAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977737 556422782 /nfs/dbraw/zinc/42/27/82/556422782.db2.gz JQZBKRLCGCQMMR-FRXJQHJJSA-N 0 0 431.374 4.595 50 0 IJAARN Cc1cc(=O)oc2c(C)c(OCc3nc(-c4cccc(Br)c4)no3)ccc12 ZINC000012982883 556425504 /nfs/dbraw/zinc/42/55/04/556425504.db2.gz XTFGQTCXOJLXCE-UHFFFAOYSA-N 0 0 427.254 4.801 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1Cl ZINC000012985859 556426818 /nfs/dbraw/zinc/42/68/18/556426818.db2.gz AKLOKDKXTCYQOD-OAHLLOKOSA-N 0 0 440.931 4.740 50 0 IJAARN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(F)cc1F ZINC000032847871 556430583 /nfs/dbraw/zinc/43/05/83/556430583.db2.gz UYWWQOMOWAASOL-CYBMUJFWSA-N 0 0 427.900 4.582 50 0 IJAARN O=C1c2ccccc2C(=O)N1c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000012998157 556432152 /nfs/dbraw/zinc/43/21/52/556432152.db2.gz AGLCRDLFTKQHNO-UHFFFAOYSA-N 0 0 434.377 4.754 50 0 IJAARN COc1cccc(-c2nc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)cs2)c1OC ZINC000013000545 556432802 /nfs/dbraw/zinc/43/28/02/556432802.db2.gz LGBILWTWIGQYLL-UHFFFAOYSA-N 0 0 446.912 4.894 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000013002809 556434154 /nfs/dbraw/zinc/43/41/54/556434154.db2.gz OOGIFXOWGGNCAR-UHFFFAOYSA-N 0 0 432.476 4.780 50 0 IJAARN C[C@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)[C@H]1C ZINC000013010695 556435654 /nfs/dbraw/zinc/43/56/54/556435654.db2.gz SYWUQTHPHPWHKI-ZWKOTPCHSA-N 0 0 439.515 4.650 50 0 IJAARN Cc1cc(C)c2nc(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc(C)c2c1 ZINC000013014286 556437045 /nfs/dbraw/zinc/43/70/45/556437045.db2.gz PGVJTQIHFCSIKA-NRFANRHFSA-N 0 0 433.621 4.985 50 0 IJAARN Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)NC(N)=O)c4ccccc4)c23)cc1 ZINC000013015168 556437304 /nfs/dbraw/zinc/43/73/04/556437304.db2.gz DAIAVWXYFSGKOD-SFHVURJKSA-N 0 0 434.546 4.695 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000013015229 556437367 /nfs/dbraw/zinc/43/73/67/556437367.db2.gz WJNUJJAZJVQJQT-UHFFFAOYSA-N 0 0 444.487 4.998 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCCOC(C)C)C3=O)cc1C ZINC000027991725 556439996 /nfs/dbraw/zinc/43/99/96/556439996.db2.gz VQVLRFRXEHYLAF-DEOSSOPVSA-N 0 0 437.515 4.899 50 0 IJAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N(Cc1cccc2ccccc21)c1ccccn1 ZINC000027992004 556440417 /nfs/dbraw/zinc/44/04/17/556440417.db2.gz IAIIWIGATAYTAT-DEOSSOPVSA-N 0 0 435.527 4.817 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000013026623 556440632 /nfs/dbraw/zinc/44/06/32/556440632.db2.gz SCRNVJXEAWZTEC-QGZVFWFLSA-N 0 0 433.821 4.878 50 0 IJAARN COc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2F)cc1OC ZINC000013030808 556442197 /nfs/dbraw/zinc/44/21/97/556442197.db2.gz JIUBWTDQSFUZOX-UHFFFAOYSA-N 0 0 447.510 4.604 50 0 IJAARN O=C(Cc1nc(CSc2nnc(C3CCCCC3)o2)cs1)NCc1ccccc1 ZINC000028188730 556444611 /nfs/dbraw/zinc/44/46/11/556444611.db2.gz IZAARYNPEUVMFC-UHFFFAOYSA-N 0 0 428.583 4.725 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 ZINC000028286783 556447637 /nfs/dbraw/zinc/44/76/37/556447637.db2.gz VWKSPAXVLADUNC-GFCCVEGCSA-N 0 0 449.488 4.704 50 0 IJAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)Oc3cccc(-n4cnnn4)c3)cc2)cc1 ZINC000013042155 556448151 /nfs/dbraw/zinc/44/81/51/556448151.db2.gz JKNOFPCVOUKKGZ-UHFFFAOYSA-N 0 0 428.492 4.758 50 0 IJAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000032868675 556449221 /nfs/dbraw/zinc/44/92/21/556449221.db2.gz OAQYYYZXRHJJKA-ZDUSSCGKSA-N 0 0 431.473 4.584 50 0 IJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(COCC(F)(F)F)cc1 ZINC000032869111 556450110 /nfs/dbraw/zinc/45/01/10/556450110.db2.gz UGQKJXWAHARXHP-UHFFFAOYSA-N 0 0 428.838 4.508 50 0 IJAARN COc1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Br ZINC000028293096 556450658 /nfs/dbraw/zinc/45/06/58/556450658.db2.gz JBSXOMXYXYBUSS-UHFFFAOYSA-N 0 0 448.317 4.931 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000032865500 556450802 /nfs/dbraw/zinc/45/08/02/556450802.db2.gz IQIXHMFUDNYADH-UHFFFAOYSA-N 0 0 429.494 4.519 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N[C@@H]1CCSc2ccccc21 ZINC000013069100 556452630 /nfs/dbraw/zinc/45/26/30/556452630.db2.gz YOYCUWHROJDPGT-HXUWFJFHSA-N 0 0 430.529 4.569 50 0 IJAARN COc1cc(-c2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)o2)cc(OC)c1OC ZINC000013069220 556452835 /nfs/dbraw/zinc/45/28/35/556452835.db2.gz PDCVWLOWHTWUQJ-UHFFFAOYSA-N 0 0 435.933 4.641 50 0 IJAARN CC(C)Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccncc1 ZINC000014883798 556454593 /nfs/dbraw/zinc/45/45/93/556454593.db2.gz XBWFKTMHHGVBDA-BQYQJAHWSA-N 0 0 441.988 4.604 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1C[C@@H]1CCCO1 ZINC000014902731 556457235 /nfs/dbraw/zinc/45/72/35/556457235.db2.gz ZGTWOAMEZWGGOO-AWEZNQCLSA-N 0 0 442.491 4.613 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)o1 ZINC000014914043 556458433 /nfs/dbraw/zinc/45/84/33/556458433.db2.gz JZUSUMWKHTZZTA-UHFFFAOYSA-N 0 0 428.491 4.531 50 0 IJAARN O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000028693149 556459031 /nfs/dbraw/zinc/45/90/31/556459031.db2.gz XKJSTXIQXMMDLM-UHFFFAOYSA-N 0 0 425.454 4.725 50 0 IJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1nc2ccc(F)cc2s1 ZINC000013109764 556463341 /nfs/dbraw/zinc/46/33/41/556463341.db2.gz VWPGLRFYPAOLFD-UHFFFAOYSA-N 0 0 425.514 4.624 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc12 ZINC000013117113 556469122 /nfs/dbraw/zinc/46/91/22/556469122.db2.gz NFNBYNDTKFDDOD-LJQANCHMSA-N 0 0 447.560 4.675 50 0 IJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)Nc2sccc2C(N)=O)n1 ZINC000013117380 556469753 /nfs/dbraw/zinc/46/97/53/556469753.db2.gz FABOFDKZELODQH-UHFFFAOYSA-N 0 0 440.575 4.558 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)cc1C ZINC000013117566 556470180 /nfs/dbraw/zinc/47/01/80/556470180.db2.gz OQFAUFRAFLHBFR-UHFFFAOYSA-N 0 0 437.565 4.648 50 0 IJAARN CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cnc21 ZINC000013117656 556470508 /nfs/dbraw/zinc/47/05/08/556470508.db2.gz HPDIGXRPMDAPKQ-QFIPXVFZSA-N 0 0 426.476 4.719 50 0 IJAARN CCn1c(CN2CCCCCC2=O)nnc1SCc1nc(-c2cccs2)oc1C ZINC000029397116 556474747 /nfs/dbraw/zinc/47/47/47/556474747.db2.gz PKXFPDJOXOQZTH-UHFFFAOYSA-N 0 0 431.587 4.518 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2c(F)ccc(F)c2F)C3)s1 ZINC000014994943 556477058 /nfs/dbraw/zinc/47/70/58/556477058.db2.gz SNFSRULVLNZXTJ-CYBMUJFWSA-N 0 0 449.425 4.908 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(C(=O)Nc3ccccc3)CC2)o1 ZINC000013128172 556477535 /nfs/dbraw/zinc/47/75/35/556477535.db2.gz GXSHHOOPBAFQLP-UHFFFAOYSA-N 0 0 443.507 4.551 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c2ccccc2c1=O ZINC000013128752 556478105 /nfs/dbraw/zinc/47/81/05/556478105.db2.gz VNPXAXGMDQNKRQ-JOCHJYFZSA-N 0 0 449.601 4.963 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000013129639 556479521 /nfs/dbraw/zinc/47/95/21/556479521.db2.gz MVTCMYYHITXNJF-UHFFFAOYSA-N 0 0 438.549 4.665 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1c2ccccc2oc1C(=O)OCC ZINC000013138229 556485396 /nfs/dbraw/zinc/48/53/96/556485396.db2.gz APINOSASRKQDLX-UHFFFAOYSA-N 0 0 448.441 4.878 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000013141173 556486335 /nfs/dbraw/zinc/48/63/35/556486335.db2.gz ORYRAMZTHNTFCP-JOCHJYFZSA-N 0 0 442.302 4.552 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 ZINC000032876512 556488855 /nfs/dbraw/zinc/48/88/55/556488855.db2.gz OXVOPGVJLFBFLG-UHFFFAOYSA-N 0 0 430.533 4.635 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1)c1cccs1 ZINC000032872035 556489783 /nfs/dbraw/zinc/48/97/83/556489783.db2.gz ASOBDPIEKCIZKW-UHFFFAOYSA-N 0 0 430.533 4.897 50 0 IJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCc2ccco2)ccc1Cl ZINC000013148553 556490104 /nfs/dbraw/zinc/49/01/04/556490104.db2.gz OXNBVNSUHNLRPY-UHFFFAOYSA-N 0 0 440.304 4.769 50 0 IJAARN O=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1Cl ZINC000015061996 556490502 /nfs/dbraw/zinc/49/05/02/556490502.db2.gz JJVOJVKKGDFCBI-UHFFFAOYSA-N 0 0 430.886 4.904 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(C)n1-c1nccs1 ZINC000013149105 556490794 /nfs/dbraw/zinc/49/07/94/556490794.db2.gz AIHHEGUIFBZVJM-UHFFFAOYSA-N 0 0 444.727 4.946 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCCCCCC3)C2=O)cc1Cl ZINC000013149727 556491612 /nfs/dbraw/zinc/49/16/12/556491612.db2.gz VPDRCDJJPQQMTE-UHFFFAOYSA-N 0 0 449.979 4.882 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)CSc2ccccc2)CC3)cc1Cl ZINC000015066892 556493023 /nfs/dbraw/zinc/49/30/23/556493023.db2.gz QVALSCFPCHBQPF-SFHVURJKSA-N 0 0 444.984 4.708 50 0 IJAARN C[C@H](Cc1ccccn1)NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000015069417 556494632 /nfs/dbraw/zinc/49/46/32/556494632.db2.gz SQJQFWHLCWBFKW-CYBMUJFWSA-N 0 0 430.455 4.838 50 0 IJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccsc2)n1 ZINC000013164695 556497074 /nfs/dbraw/zinc/49/70/74/556497074.db2.gz YPCJYLYKBLJMGB-UHFFFAOYSA-N 0 0 431.542 4.867 50 0 IJAARN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000015080446 556501192 /nfs/dbraw/zinc/50/11/92/556501192.db2.gz MPZBMJKJFICPEH-IBGZPJMESA-N 0 0 437.495 4.780 50 0 IJAARN COCCOC(=O)c1c(C)n(CCc2ccc(OC)cc2)c2c1cc(O)c1ccccc21 ZINC000015081759 556501389 /nfs/dbraw/zinc/50/13/89/556501389.db2.gz PPBUJFVSLAGTSJ-UHFFFAOYSA-N 0 0 433.504 4.863 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000013479308 556507961 /nfs/dbraw/zinc/50/79/61/556507961.db2.gz SSAZWUSSMIDYKX-KRWDZBQOSA-N 0 0 444.815 4.645 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cs1)c1ccc(F)cc1F ZINC000015216195 556511534 /nfs/dbraw/zinc/51/15/34/556511534.db2.gz ZUZDKPZMOPFEDW-ZDLGFXPLSA-N 0 0 439.443 4.759 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1O ZINC000013552617 556515541 /nfs/dbraw/zinc/51/55/41/556515541.db2.gz BGIDCMDJGYQRFC-SFHVURJKSA-N 0 0 441.491 4.784 50 0 IJAARN Cc1ccc(-c2nc3c(c(SCC(=O)NCCc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000013556319 556516548 /nfs/dbraw/zinc/51/65/48/556516548.db2.gz ZAMMXXZXFVHQSU-UHFFFAOYSA-N 0 0 447.604 4.754 50 0 IJAARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 ZINC000013566934 556520284 /nfs/dbraw/zinc/52/02/84/556520284.db2.gz HXODFKHVHYCDQB-UHFFFAOYSA-N 0 0 440.308 4.695 50 0 IJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)N3CCC[C@H](C)C3)ccc2c1=O ZINC000013569327 556521503 /nfs/dbraw/zinc/52/15/03/556521503.db2.gz FLLKIIMJUUBJMS-KRWDZBQOSA-N 0 0 437.492 4.621 50 0 IJAARN COCCN(C(=O)CCc1ccsc1)c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000072300874 556523934 /nfs/dbraw/zinc/52/39/34/556523934.db2.gz DYNFZNMKMBAMFV-UHFFFAOYSA-N 0 0 442.606 4.993 50 0 IJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(C)cc2)nc2cnc(Br)cn21 ZINC000015414005 556526328 /nfs/dbraw/zinc/52/63/28/556526328.db2.gz BZUJALMZEQGXPS-UHFFFAOYSA-N 0 0 437.297 4.997 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nc(-c5ccccc5)oc4C)C3=O)ccc2c1 ZINC000032899380 556530710 /nfs/dbraw/zinc/53/07/10/556530710.db2.gz HALBIFXOIDKZJU-SANMLTNESA-N 0 0 441.487 4.779 50 0 IJAARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000013638505 556541951 /nfs/dbraw/zinc/54/19/51/556541951.db2.gz JGKHRXVXTNLUMW-UHFFFAOYSA-N 0 0 440.941 4.718 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Br)cc1 ZINC000015723035 556545386 /nfs/dbraw/zinc/54/53/86/556545386.db2.gz FPNWSNFFZASOGU-CPNJWEJPSA-N 0 0 425.282 4.760 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)s1 ZINC000032722425 556547753 /nfs/dbraw/zinc/54/77/53/556547753.db2.gz QQNJPFGFYIMKIX-UHFFFAOYSA-N 0 0 425.579 4.958 50 0 IJAARN C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Cl)cc1Cl ZINC000015760462 556548774 /nfs/dbraw/zinc/54/87/74/556548774.db2.gz RZKZKKDXSQLTON-LBPRGKRZSA-N 0 0 435.332 4.533 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CC(=O)NCc3ccc(OC(C)C)cc3)cc2s1 ZINC000032959754 556550274 /nfs/dbraw/zinc/55/02/74/556550274.db2.gz AHQZYYKZTUQCIW-UHFFFAOYSA-N 0 0 425.554 4.681 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)c1 ZINC000032959774 556550281 /nfs/dbraw/zinc/55/02/81/556550281.db2.gz BPIWLPZAFGMJME-UHFFFAOYSA-N 0 0 441.553 4.869 50 0 IJAARN COc1ccc(CC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778702 556550858 /nfs/dbraw/zinc/55/08/58/556550858.db2.gz POCFEHBVOPTLMQ-JOCHJYFZSA-N 0 0 433.895 4.847 50 0 IJAARN CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1ccc(OC)cc1 ZINC000032997256 556551113 /nfs/dbraw/zinc/55/11/13/556551113.db2.gz BNQWTNVYUTWHRY-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN COc1ccc([C@@H]2Oc3nc(SCC(C)C)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000032997437 556551438 /nfs/dbraw/zinc/55/14/38/556551438.db2.gz BFOVZNPHCOLCBH-QFIPXVFZSA-N 0 0 436.537 4.739 50 0 IJAARN NC(=O)Cc1cc(Br)c(-c2ccc(NC(=O)Cc3ccccc3F)cc2)s1 ZINC000072305555 556553569 /nfs/dbraw/zinc/55/35/69/556553569.db2.gz ZEIZQMFUQRPTLE-UHFFFAOYSA-N 0 0 447.329 4.526 50 0 IJAARN Cc1ccc(OCC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c(C)c1 ZINC000033048672 556553656 /nfs/dbraw/zinc/55/36/56/556553656.db2.gz LRFFJMUDFGHJFV-QHCPKHFHSA-N 0 0 431.467 4.777 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000015829531 556554290 /nfs/dbraw/zinc/55/42/90/556554290.db2.gz XEKWDGHDRSVTBP-IBGZPJMESA-N 0 0 446.341 4.793 50 0 IJAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000033115120 556554707 /nfs/dbraw/zinc/55/47/07/556554707.db2.gz NPENNYCONUVBSL-FQEVSTJZSA-N 0 0 444.579 4.925 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)c1 ZINC000033258022 556557320 /nfs/dbraw/zinc/55/73/20/556557320.db2.gz UEVNKJZARGFHJO-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN CCc1sc2nc(S[C@@H](C)c3nc(C)no3)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000032906004 556557284 /nfs/dbraw/zinc/55/72/84/556557284.db2.gz XQLQIOWPLWUCJU-LBPRGKRZSA-N 0 0 442.566 4.871 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266247 556557582 /nfs/dbraw/zinc/55/75/82/556557582.db2.gz UWFJIKWTBNWJGC-NRFANRHFSA-N 0 0 437.858 4.814 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1C ZINC000033274535 556558559 /nfs/dbraw/zinc/55/85/59/556558559.db2.gz JYIRXTWDVIXCLW-UHFFFAOYSA-N 0 0 448.588 4.761 50 0 IJAARN CC(C)CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274493 556558592 /nfs/dbraw/zinc/55/85/92/556558592.db2.gz RVZJRYOAYSLEDC-UHFFFAOYSA-N 0 0 428.598 4.805 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290515 556559719 /nfs/dbraw/zinc/55/97/19/556559719.db2.gz FOUNOMCREVQVTL-QGZVFWFLSA-N 0 0 434.927 4.605 50 0 IJAARN C[C@H](CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)NC(=O)C1CCCC1 ZINC000072310825 556576978 /nfs/dbraw/zinc/57/69/78/556576978.db2.gz KWJCPHTVEHUYSK-BDJLRTHQSA-N 0 0 425.369 4.937 50 0 IJAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NC[C@H]4CCCO4)cs3)c(F)c2)c1 ZINC000034713280 556581464 /nfs/dbraw/zinc/58/14/64/556581464.db2.gz XZXIEZAMVLZQRO-GOSISDBHSA-N 0 0 426.513 4.745 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)Nc1ccccc1 ZINC000016058452 556581472 /nfs/dbraw/zinc/58/14/72/556581472.db2.gz VNAMZKKTGARMTP-UHFFFAOYSA-N 0 0 441.516 4.646 50 0 IJAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NC[C@@H]4CCCO4)cs3)c(F)c2)c1 ZINC000034713279 556581549 /nfs/dbraw/zinc/58/15/49/556581549.db2.gz XZXIEZAMVLZQRO-SFHVURJKSA-N 0 0 426.513 4.745 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034812951 556583122 /nfs/dbraw/zinc/58/31/22/556583122.db2.gz KHSQDAKLSRQAHR-QGZVFWFLSA-N 0 0 445.494 4.865 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000016182860 556587246 /nfs/dbraw/zinc/58/72/46/556587246.db2.gz PTWLNTQYHPNWIS-MRXNPFEDSA-N 0 0 447.638 4.604 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000016183809 556587431 /nfs/dbraw/zinc/58/74/31/556587431.db2.gz WUEMTZNLFJLWQC-QGZVFWFLSA-N 0 0 429.775 4.517 50 0 IJAARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F ZINC000032966507 556587497 /nfs/dbraw/zinc/58/74/97/556587497.db2.gz XLWGSWHJXOVQRZ-UHFFFAOYSA-N 0 0 441.713 4.774 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1 ZINC000036065369 556592013 /nfs/dbraw/zinc/59/20/13/556592013.db2.gz SCGDLNWIMDHBQW-UHFFFAOYSA-N 0 0 435.421 4.785 50 0 IJAARN Cc1sc2nc(C(F)(F)F)nc(N3CCCN(C(=O)C4CCCC4)CC3)c2c1C ZINC000032913760 556594902 /nfs/dbraw/zinc/59/49/02/556594902.db2.gz XHLPZSHDIFOVPX-UHFFFAOYSA-N 0 0 426.508 4.556 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000032974547 556595777 /nfs/dbraw/zinc/59/57/77/556595777.db2.gz YKEDHXDOKBUPIE-UHFFFAOYSA-N 0 0 440.565 4.508 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccnn1C1CCCC1)N1CCc2ccccc21 ZINC000032982014 556601468 /nfs/dbraw/zinc/60/14/68/556601468.db2.gz POOGKXYFLKWMIK-UHFFFAOYSA-N 0 0 446.576 4.932 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(OC)c1 ZINC000016382434 556603819 /nfs/dbraw/zinc/60/38/19/556603819.db2.gz MMCWBWFFCHILHC-QGZVFWFLSA-N 0 0 440.874 4.734 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000032985977 556605522 /nfs/dbraw/zinc/60/55/22/556605522.db2.gz FDEYBUUJWHHREX-UHFFFAOYSA-N 0 0 449.555 4.528 50 0 IJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Br)cccc12 ZINC000016431549 556607598 /nfs/dbraw/zinc/60/75/98/556607598.db2.gz XPUDMYLMIWOOCR-UHFFFAOYSA-N 0 0 425.326 4.687 50 0 IJAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(I)cc1 ZINC000016448318 556608494 /nfs/dbraw/zinc/60/84/94/556608494.db2.gz VYXAFYDELNNLSN-UHFFFAOYSA-N 0 0 448.304 4.606 50 0 IJAARN Cc1cccc(NC(=O)c2cc(NC(=O)Cc3ccccc3)ccc2N2CCCCC2)n1 ZINC000016474255 556609912 /nfs/dbraw/zinc/60/99/12/556609912.db2.gz NWVDMXUPPCFURO-UHFFFAOYSA-N 0 0 428.536 4.814 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1 ZINC000032995134 556609966 /nfs/dbraw/zinc/60/99/66/556609966.db2.gz JQEBTTKUIQDRKT-GOSISDBHSA-N 0 0 436.581 4.559 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000038486527 556612668 /nfs/dbraw/zinc/61/26/68/556612668.db2.gz RQOPDCSSZXPZAL-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2cccc(Cl)c2C)c3=O)cc1 ZINC000038487078 556612846 /nfs/dbraw/zinc/61/28/46/556612846.db2.gz RLWJSXHAUGGYJH-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)csc2c1=O ZINC000038651704 556615081 /nfs/dbraw/zinc/61/50/81/556615081.db2.gz OFJGMVSXNWQCPV-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016568226 556615661 /nfs/dbraw/zinc/61/56/61/556615661.db2.gz VTHMFRWDCHJXSR-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1ccc(C(=O)c2cn(-c3ccccc3)nc2C(=O)c2nc3ccccc3s2)cc1 ZINC000039929974 556630508 /nfs/dbraw/zinc/63/05/08/556630508.db2.gz USSYEZUTCVSWKA-UHFFFAOYSA-N 0 0 439.496 4.953 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1OCC ZINC000016753293 556638463 /nfs/dbraw/zinc/63/84/63/556638463.db2.gz YGRDQRBKLJQHEY-UHFFFAOYSA-N 0 0 431.876 4.513 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)OCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413721 556641091 /nfs/dbraw/zinc/64/10/91/556641091.db2.gz GNQUKSKWQQUIOF-JOCHJYFZSA-N 0 0 429.476 4.801 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c(Cl)c1 ZINC000016840938 556645842 /nfs/dbraw/zinc/64/58/42/556645842.db2.gz QMPBDUQLVQBLHX-UHFFFAOYSA-N 0 0 438.940 4.621 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c(C)c1 ZINC000016840918 556645845 /nfs/dbraw/zinc/64/58/45/556645845.db2.gz WGKZPMOPSSDSBR-UHFFFAOYSA-N 0 0 432.549 4.585 50 0 IJAARN C[C@@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3ccccc3)c(=O)c2S1 ZINC000011726642 556647663 /nfs/dbraw/zinc/64/76/63/556647663.db2.gz YIQGLYJTCYJFNI-CQSZACIVSA-N 0 0 442.993 4.957 50 0 IJAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037623509 556648138 /nfs/dbraw/zinc/64/81/38/556648138.db2.gz LAONWXDODKMSNQ-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000016884601 556648172 /nfs/dbraw/zinc/64/81/72/556648172.db2.gz SPTBNHUHADUCQT-UHFFFAOYSA-N 0 0 430.504 4.507 50 0 IJAARN Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccccc1COCc1ccccc1)C(C)C ZINC000032925095 556649715 /nfs/dbraw/zinc/64/97/15/556649715.db2.gz AEXOZMXYIFMJGG-SANMLTNESA-N 0 0 444.575 4.783 50 0 IJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3cccc(OC)c3)c3ccccc3S2)cc1 ZINC000016953586 556650187 /nfs/dbraw/zinc/65/01/87/556650187.db2.gz WEXRCGRTNZGNLE-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N(CCc1c[nH]c2ccc(F)cc12)Cc1cccs1 ZINC000016957289 556650666 /nfs/dbraw/zinc/65/06/66/556650666.db2.gz VGDRBTJYTXOCTD-UHFFFAOYSA-N 0 0 432.517 4.941 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1)N1CCCC1 ZINC000033000001 556653835 /nfs/dbraw/zinc/65/38/35/556653835.db2.gz NPAYWJNMNANVBO-UHFFFAOYSA-N 0 0 448.592 4.730 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000032925753 556654963 /nfs/dbraw/zinc/65/49/63/556654963.db2.gz MKBPPQKWRRQUTI-UHFFFAOYSA-N 0 0 448.526 4.705 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)Nc3ccccc3F)c2)c1 ZINC000033009654 556657629 /nfs/dbraw/zinc/65/76/29/556657629.db2.gz ACMLQQJXLGSHEN-UHFFFAOYSA-N 0 0 448.498 4.867 50 0 IJAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)CC1=O ZINC000033012727 556662091 /nfs/dbraw/zinc/66/20/91/556662091.db2.gz XNFVKVFHIUIRNM-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033012915 556662631 /nfs/dbraw/zinc/66/26/31/556662631.db2.gz WBEGCBJPBXEKAA-UHFFFAOYSA-N 0 0 442.475 4.835 50 0 IJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1nccs1 ZINC000033013300 556662930 /nfs/dbraw/zinc/66/29/30/556662930.db2.gz CYICWKOQABDZFY-UHFFFAOYSA-N 0 0 436.493 4.585 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000011865884 556665711 /nfs/dbraw/zinc/66/57/11/556665711.db2.gz QJFGDCXQBAUFND-UHFFFAOYSA-N 0 0 435.427 4.848 50 0 IJAARN O=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169370 556666427 /nfs/dbraw/zinc/66/64/27/556666427.db2.gz NWCQFHNPXWNZPL-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN COc1ccc([C@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OC ZINC000044197939 556666524 /nfs/dbraw/zinc/66/65/24/556666524.db2.gz PJLVJKXWGMHBKR-QHCPKHFHSA-N 0 0 433.504 4.666 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000011111711 556666543 /nfs/dbraw/zinc/66/65/43/556666543.db2.gz QGFDXQUISGIKKB-KSSFIOAISA-N 0 0 446.956 4.639 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000044803567 556667845 /nfs/dbraw/zinc/66/78/45/556667845.db2.gz PDMQRTLVGIGAAE-HNNXBMFYSA-N 0 0 444.457 4.902 50 0 IJAARN COc1cccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017113533 556668038 /nfs/dbraw/zinc/66/80/38/556668038.db2.gz LQSLWMYVRZXHSO-UHFFFAOYSA-N 0 0 432.528 4.795 50 0 IJAARN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000017173109 556671402 /nfs/dbraw/zinc/67/14/02/556671402.db2.gz FJZWJWKNZPCVAV-DHLKQENFSA-N 0 0 437.561 4.745 50 0 IJAARN O=C(CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1)Nc1ccccc1F ZINC000017191669 556672312 /nfs/dbraw/zinc/67/23/12/556672312.db2.gz CZJCUWIKQSROKW-UHFFFAOYSA-N 0 0 434.496 4.596 50 0 IJAARN Cc1cc2ccccc2n1CC(=O)OCc1nnc(-c2ccc(Br)s2)o1 ZINC000010622264 556681115 /nfs/dbraw/zinc/68/11/15/556681115.db2.gz OKIQVMMLEMDIOW-UHFFFAOYSA-N 0 0 432.299 4.567 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3nc4ccccc4[nH]3)cs2)c(C)c1Cc1ccccc1 ZINC000033019546 556682967 /nfs/dbraw/zinc/68/29/67/556682967.db2.gz KHHSZSUFLVRESE-UHFFFAOYSA-N 0 0 442.548 4.594 50 0 IJAARN COC(=O)c1csc(CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)n1 ZINC000000962798 556690048 /nfs/dbraw/zinc/69/00/48/556690048.db2.gz KIEDVXGZYXCDCC-UHFFFAOYSA-N 0 0 426.460 4.924 50 0 IJAARN COc1cccc(NC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)c1 ZINC000046006532 556690644 /nfs/dbraw/zinc/69/06/44/556690644.db2.gz VIUIKHGUVAZFBN-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CNC(=S)N(Cc1cccs1)C1CCCC1 ZINC000013544551 556696482 /nfs/dbraw/zinc/69/64/82/556696482.db2.gz HNPZEDVZJWYLKG-GOSISDBHSA-N 0 0 429.655 4.505 50 0 IJAARN COc1ccccc1NC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000013573364 556699050 /nfs/dbraw/zinc/69/90/50/556699050.db2.gz GLARZHVCGFQLFQ-UHFFFAOYSA-N 0 0 437.565 4.549 50 0 IJAARN Cn1c(CCNC(=O)C2CCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000033026161 556702250 /nfs/dbraw/zinc/70/22/50/556702250.db2.gz LHTCBWDBKSZJRQ-UHFFFAOYSA-N 0 0 446.595 4.972 50 0 IJAARN Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5cccc(Cl)c5)c4[nH]3)CC2)c1 ZINC000048988970 556702925 /nfs/dbraw/zinc/70/29/25/556702925.db2.gz SZQGOXINJWYDOG-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN COc1ccccc1CNC(=O)c1cccc([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1 ZINC000033034945 556716988 /nfs/dbraw/zinc/71/69/88/556716988.db2.gz UDLUSNLIJAXDLT-VWLOTQADSA-N 0 0 442.559 4.953 50 0 IJAARN CSc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033035981 556718644 /nfs/dbraw/zinc/71/86/44/556718644.db2.gz NALYQHYZUXXQLM-NRFANRHFSA-N 0 0 425.598 4.636 50 0 IJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000033035943 556718646 /nfs/dbraw/zinc/71/86/46/556718646.db2.gz PQVQPEYDEAPSLV-HXUWFJFHSA-N 0 0 447.501 4.933 50 0 IJAARN COc1cc(CCC(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)cc4)oc3c2)on1 ZINC000013723395 556718976 /nfs/dbraw/zinc/71/89/76/556718976.db2.gz IKROKNVJNCWGFY-UHFFFAOYSA-N 0 0 434.448 4.549 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000072328722 556726520 /nfs/dbraw/zinc/72/65/20/556726520.db2.gz DWGMZVCANUYJHH-UHFFFAOYSA-N 0 0 445.350 4.745 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(Br)c2)cc1 ZINC000072328994 556726526 /nfs/dbraw/zinc/72/65/26/556726526.db2.gz NNZGPWILKZTCLL-UHFFFAOYSA-N 0 0 428.330 4.948 50 0 IJAARN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000055042219 556732412 /nfs/dbraw/zinc/73/24/12/556732412.db2.gz LXZRPQKTPRFWSN-VWLOTQADSA-N 0 0 425.532 4.747 50 0 IJAARN Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2nc1C ZINC000019298413 556734809 /nfs/dbraw/zinc/73/48/09/556734809.db2.gz OHDGJTKQIDPXRH-INIZCTEOSA-N 0 0 433.508 4.659 50 0 IJAARN Brc1cnc2[nH]c(CNc3nc(-c4ccccc4)nc4ccccc43)nc2c1 ZINC000078876063 556736043 /nfs/dbraw/zinc/73/60/43/556736043.db2.gz VNUFAMZLXAPFGV-UHFFFAOYSA-N 0 0 431.297 4.943 50 0 IJAARN Cc1nc(CCNC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc32)cs1 ZINC000079045903 556738103 /nfs/dbraw/zinc/73/81/03/556738103.db2.gz SDKDFKYSRYWFPL-UHFFFAOYSA-N 0 0 430.371 4.921 50 0 IJAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218754 556741621 /nfs/dbraw/zinc/74/16/21/556741621.db2.gz IHCWICSXMPBRIK-HUVFLSCGSA-N 0 0 428.960 4.655 50 0 IJAARN CCOc1ccccc1-c1cc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)on1 ZINC000033045250 556741944 /nfs/dbraw/zinc/74/19/44/556741944.db2.gz LWIXERBDPUFRAF-HNNXBMFYSA-N 0 0 449.536 4.600 50 0 IJAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000055554243 556742215 /nfs/dbraw/zinc/74/22/15/556742215.db2.gz LSRSZZPQEAIART-UHFFFAOYSA-N 0 0 445.032 4.521 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)c(C)o2)cc1 ZINC000033048126 556743438 /nfs/dbraw/zinc/74/34/38/556743438.db2.gz HQPHMNJEUBSDTM-UHFFFAOYSA-N 0 0 447.579 4.914 50 0 IJAARN CCOc1cc(CNC(=O)c2ncoc2-c2ccc(C)s2)cc(OCC)c1OCC ZINC000033049081 556746399 /nfs/dbraw/zinc/74/63/99/556746399.db2.gz KLBRKVJUPTZWEZ-UHFFFAOYSA-N 0 0 430.526 4.838 50 0 IJAARN CC(C)C[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000060367475 556748609 /nfs/dbraw/zinc/74/86/09/556748609.db2.gz MUTRDCRCEUDCIO-HXUWFJFHSA-N 0 0 447.432 4.908 50 0 IJAARN Cc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c2nc3n(c2n1)CCCCC3 ZINC000057991157 556750723 /nfs/dbraw/zinc/75/07/23/556750723.db2.gz HPWSGPFRLFQPPL-HXUWFJFHSA-N 0 0 444.539 4.643 50 0 IJAARN CCOC(=O)[C@@H](c1ccccc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000058157196 556762791 /nfs/dbraw/zinc/76/27/91/556762791.db2.gz RNYCPGBXDYZFTD-AREMUKBSSA-N 0 0 429.560 4.939 50 0 IJAARN Cc1ccccc1-n1c(=S)n(CN2CCN(c3ccccc3)CC2)nc1-c1cccnc1 ZINC000058162336 556765747 /nfs/dbraw/zinc/76/57/47/556765747.db2.gz KSHUOGHPOPJMQY-UHFFFAOYSA-N 0 0 442.592 4.553 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC[C@H]3CCCO3)c(=O)oc12 ZINC000005346484 556767507 /nfs/dbraw/zinc/76/75/07/556767507.db2.gz ZPEAPORZIRRWHA-MRXNPFEDSA-N 0 0 425.525 4.681 50 0 IJAARN Cc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2)cc1 ZINC000058169956 556767749 /nfs/dbraw/zinc/76/77/49/556767749.db2.gz PJZMHRAXSYEKAN-XMMPIXPASA-N 0 0 431.927 4.547 50 0 IJAARN COc1ccc2c(c1)CCCN2C(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000058203102 556771398 /nfs/dbraw/zinc/77/13/98/556771398.db2.gz FJTFAYIITQNMFN-UHFFFAOYSA-N 0 0 440.341 4.853 50 0 IJAARN Cc1nc(CSc2ccc(C(=O)OCc3nccn3CC(F)(F)F)cc2)cs1 ZINC000058312084 556779765 /nfs/dbraw/zinc/77/97/65/556779765.db2.gz HBUIGHRLOMDPGL-UHFFFAOYSA-N 0 0 427.473 4.860 50 0 IJAARN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2sc(-c3ccc(C)o3)nc2C)C1 ZINC000058326791 556780897 /nfs/dbraw/zinc/78/08/97/556780897.db2.gz KSVNNUNHINJAFA-HNNXBMFYSA-N 0 0 431.945 4.691 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000058369571 556783364 /nfs/dbraw/zinc/78/33/64/556783364.db2.gz IRLRXPWVPWFFSK-VIFPVBQESA-N 0 0 441.698 4.587 50 0 IJAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001507972 556797571 /nfs/dbraw/zinc/79/75/71/556797571.db2.gz MLRZRANPLNDWRN-UHFFFAOYSA-N 0 0 448.588 4.704 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000002630721 556801021 /nfs/dbraw/zinc/80/10/21/556801021.db2.gz BHEKJSGENYLREU-UHFFFAOYSA-N 0 0 425.469 4.863 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 ZINC000003225384 556805692 /nfs/dbraw/zinc/80/56/92/556805692.db2.gz WHYQVMHILJGWOY-XVNBXDOJSA-N 0 0 427.334 4.659 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(Nc2c(C)cccc2C)s1 ZINC000003314526 556809684 /nfs/dbraw/zinc/80/96/84/556809684.db2.gz DFINTNNCBHMKPN-UHFFFAOYSA-N 0 0 444.582 4.995 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2C(C)C)cc1 ZINC000003338467 556812995 /nfs/dbraw/zinc/81/29/95/556812995.db2.gz MLTNFGMTTWMKDG-UHFFFAOYSA-N 0 0 448.495 4.867 50 0 IJAARN CC(C)(C)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 ZINC000003353113 556813806 /nfs/dbraw/zinc/81/38/06/556813806.db2.gz JXCILWRXIRZKDU-UHFFFAOYSA-N 0 0 442.006 4.521 50 0 IJAARN COc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)ccc1OCc1ccccc1 ZINC000003352899 556813876 /nfs/dbraw/zinc/81/38/76/556813876.db2.gz ZQOCMKBCRSFBIX-UHFFFAOYSA-N 0 0 442.414 4.915 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1Cl ZINC000011208754 556814190 /nfs/dbraw/zinc/81/41/90/556814190.db2.gz UZFXPCTWOCPGEX-UHFFFAOYSA-N 0 0 445.972 4.835 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2C)cc1 ZINC000003422119 556814927 /nfs/dbraw/zinc/81/49/27/556814927.db2.gz YAYWXRTUYFLWDZ-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN O=C(OCc1cnc(-c2ccccc2)s1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003422080 556815022 /nfs/dbraw/zinc/81/50/22/556815022.db2.gz WGRMOVRCQMVCQE-UHFFFAOYSA-N 0 0 431.517 4.603 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000003379173 556816300 /nfs/dbraw/zinc/81/63/00/556816300.db2.gz QLQLVRSJCZINSZ-UHFFFAOYSA-N 0 0 431.469 4.774 50 0 IJAARN Cc1ccc(C)c2c(=O)cc(CSc3nnc(COc4ccccc4Cl)n3C)[nH]c12 ZINC000033067691 556819221 /nfs/dbraw/zinc/81/92/21/556819221.db2.gz BYYZRLJSLQFYRI-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(c4ccccc4Cl)CC3)c(C)o2)cc1OC ZINC000064120598 556822722 /nfs/dbraw/zinc/82/27/22/556822722.db2.gz AZIWIUXDRCKCQC-UHFFFAOYSA-N 0 0 427.932 4.643 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000064450481 556823883 /nfs/dbraw/zinc/82/38/83/556823883.db2.gz DRTFTQBCUAEGGJ-OAHLLOKOSA-N 0 0 439.562 4.856 50 0 IJAARN Cc1cccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000064662239 556826133 /nfs/dbraw/zinc/82/61/33/556826133.db2.gz SPBXKYDDBAQYBO-RUZDIDTESA-N 0 0 435.593 4.875 50 0 IJAARN COc1cccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccc(F)cc4)cs3)c2C)c1 ZINC000064790250 556827073 /nfs/dbraw/zinc/82/70/73/556827073.db2.gz CGCGBICIUJTZPU-UHFFFAOYSA-N 0 0 436.512 4.942 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3Br)no2)nn1-c1ccccc1 ZINC000064949571 556829419 /nfs/dbraw/zinc/82/94/19/556829419.db2.gz KCMPXAWYCJAWSJ-UHFFFAOYSA-N 0 0 445.276 4.865 50 0 IJAARN Cc1cccc(CNC(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)c1 ZINC000065002471 556830622 /nfs/dbraw/zinc/83/06/22/556830622.db2.gz UNNCWADKHIPHDY-UHFFFAOYSA-N 0 0 436.559 4.800 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)c(C)c1 ZINC000065002818 556830922 /nfs/dbraw/zinc/83/09/22/556830922.db2.gz IPVNXTXNLRDRQK-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)c(C)n1 ZINC000019636144 556835060 /nfs/dbraw/zinc/83/50/60/556835060.db2.gz LXLQZSJWHJYDKG-MRXNPFEDSA-N 0 0 442.519 4.689 50 0 IJAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)c(C)n1 ZINC000019636148 556835078 /nfs/dbraw/zinc/83/50/78/556835078.db2.gz LXLQZSJWHJYDKG-INIZCTEOSA-N 0 0 442.519 4.689 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCc2cccc(OC)c21 ZINC000062581128 556837007 /nfs/dbraw/zinc/83/70/07/556837007.db2.gz LLEQDEKUGWBXTB-UHFFFAOYSA-N 0 0 431.414 4.501 50 0 IJAARN O=C(Nc1cccnc1-n1cc(Br)cn1)c1cc(N2CCCC2)ccc1Cl ZINC000072404872 556837456 /nfs/dbraw/zinc/83/74/56/556837456.db2.gz RXJNTPXASQYTRW-UHFFFAOYSA-N 0 0 446.736 4.536 50 0 IJAARN CN1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccc(Br)cc32)CC1 ZINC000019642110 556837916 /nfs/dbraw/zinc/83/79/16/556837916.db2.gz MRGBBAJOUYAQGB-UHFFFAOYSA-N 0 0 444.760 4.705 50 0 IJAARN S=C(Nc1ccc(Cl)cc1)NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682522 556841847 /nfs/dbraw/zinc/84/18/47/556841847.db2.gz DNTFQRIDTCRRDQ-UHFFFAOYSA-N 0 0 434.996 4.929 50 0 IJAARN CNC(=O)c1ccc(/C=C\C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 ZINC000096812682 556846259 /nfs/dbraw/zinc/84/62/59/556846259.db2.gz JHKYHQJBVMKEPP-ZROIWOOFSA-N 0 0 436.458 4.890 50 0 IJAARN COC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000008826276 556849147 /nfs/dbraw/zinc/84/91/47/556849147.db2.gz CHCQAXJAEMCNQB-UHFFFAOYSA-N 0 0 427.835 4.872 50 0 IJAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc(OC)c1 ZINC000008853744 556850257 /nfs/dbraw/zinc/85/02/57/556850257.db2.gz KCNWIULCMLSUOQ-UHFFFAOYSA-N 0 0 436.505 4.912 50 0 IJAARN CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085635 556856436 /nfs/dbraw/zinc/85/64/36/556856436.db2.gz JBXCLJPJRFIJOP-UHFFFAOYSA-N 0 0 430.508 4.839 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089242 556857839 /nfs/dbraw/zinc/85/78/39/556857839.db2.gz QPMVKIHVQFFSTQ-GJZGRUSLSA-N 0 0 439.353 4.632 50 0 IJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)c1C ZINC000033122257 556863334 /nfs/dbraw/zinc/86/33/34/556863334.db2.gz APQNTWUBXXUZBH-UHFFFAOYSA-N 0 0 426.452 4.815 50 0 IJAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCCc4ccccc4)c3)n2)c1 ZINC000033130593 556870820 /nfs/dbraw/zinc/87/08/20/556870820.db2.gz FCAVRXFFAPJPLR-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN COc1cccc(CNC(=O)c2cccc(-c3nccc(Oc4cccc(OC)c4)n3)c2)c1 ZINC000033130601 556870911 /nfs/dbraw/zinc/87/09/11/556870911.db2.gz RUTXCSIRIBIYBK-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1Cl ZINC000033141900 556877212 /nfs/dbraw/zinc/87/72/12/556877212.db2.gz LXUGDTJVOHWZMM-UHFFFAOYSA-N 0 0 433.895 4.537 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142071 556877366 /nfs/dbraw/zinc/87/73/66/556877366.db2.gz ABCWNQOMMUBXJO-FQEVSTJZSA-N 0 0 430.552 4.980 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142078 556877733 /nfs/dbraw/zinc/87/77/33/556877733.db2.gz IFHZEYDYDGJITG-UHFFFAOYSA-N 0 0 430.552 4.673 50 0 IJAARN CN(Cc1nc2cc(F)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019740474 556880615 /nfs/dbraw/zinc/88/06/15/556880615.db2.gz VOGITWBUJWHPCG-UHFFFAOYSA-N 0 0 427.483 4.897 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000033173604 556883653 /nfs/dbraw/zinc/88/36/53/556883653.db2.gz FOHHVIUVURZAQQ-UHFFFAOYSA-N 0 0 436.455 4.670 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 ZINC000033173897 556884005 /nfs/dbraw/zinc/88/40/05/556884005.db2.gz ISRYJPZVYAKKNO-UHFFFAOYSA-N 0 0 429.489 4.907 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)cc1 ZINC000033169960 556885239 /nfs/dbraw/zinc/88/52/39/556885239.db2.gz WHMGIZAIODQDSN-UHFFFAOYSA-N 0 0 432.505 4.532 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)cc1 ZINC000033170930 556886641 /nfs/dbraw/zinc/88/66/41/556886641.db2.gz BJRGEZYMXDMMJE-UHFFFAOYSA-N 0 0 432.476 4.874 50 0 IJAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249336 556889044 /nfs/dbraw/zinc/88/90/44/556889044.db2.gz RADAKOHAEBUYIX-UHFFFAOYSA-N 0 0 442.968 4.910 50 0 IJAARN CC[C@H](C(=O)Nc1cc(C)ccc1OC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251149 556891879 /nfs/dbraw/zinc/89/18/79/556891879.db2.gz HEBZIEONPIDMGK-QGZVFWFLSA-N 0 0 447.457 4.939 50 0 IJAARN Cc1nc(-c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)no1 ZINC000033254152 556894658 /nfs/dbraw/zinc/89/46/58/556894658.db2.gz ZOZTYWFFJMPVAU-UHFFFAOYSA-N 0 0 438.531 4.592 50 0 IJAARN CCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000033258247 556895973 /nfs/dbraw/zinc/89/59/73/556895973.db2.gz OUJZVXUGHVTMCQ-UHFFFAOYSA-N 0 0 431.540 4.921 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)c(F)c1 ZINC000019791314 556915152 /nfs/dbraw/zinc/91/51/52/556915152.db2.gz FYNZHURIZCJREJ-HSZRJFAPSA-N 0 0 434.540 4.975 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2)c1cccc(Br)c1 ZINC000019819149 556922048 /nfs/dbraw/zinc/92/20/48/556922048.db2.gz VQLKMHFAAJIXSS-UHFFFAOYSA-N 0 0 436.309 4.689 50 0 IJAARN CCCNC(=O)/C(=C/c1ccc(-c2cccc(Cl)c2)o1)NC(=O)c1ccc(OC)cc1 ZINC000019833804 556927400 /nfs/dbraw/zinc/92/74/00/556927400.db2.gz NYLVCVZIYUZUFG-QNGOZBTKSA-N 0 0 438.911 4.906 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000019858182 556931809 /nfs/dbraw/zinc/93/18/09/556931809.db2.gz VYZQOXJSIHMRKJ-FQEVSTJZSA-N 0 0 428.598 4.607 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCOCC2)cc1 ZINC000019897891 556941014 /nfs/dbraw/zinc/94/10/14/556941014.db2.gz LUVKRAZTUPEIKQ-OAQYLSRUSA-N 0 0 442.943 4.515 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2)c2c1cc(Br)cc(Br)c2=O ZINC000019909794 556943034 /nfs/dbraw/zinc/94/30/34/556943034.db2.gz XSCJOTPKHDSNDB-UHFFFAOYSA-N 0 0 428.511 4.873 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)cc1OC ZINC000019913043 556943661 /nfs/dbraw/zinc/94/36/61/556943661.db2.gz UJBSPNJCXQOSFO-UWJYYQICSA-N 0 0 431.330 4.992 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)c(OC)c1C ZINC000019954015 556954473 /nfs/dbraw/zinc/95/44/73/556954473.db2.gz NVTXIDZEIAYLIU-UHFFFAOYSA-N 0 0 449.551 4.500 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962151 556955574 /nfs/dbraw/zinc/95/55/74/556955574.db2.gz YCXJXNQRXPSBBY-DEOSSOPVSA-N 0 0 438.531 4.758 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000004728643 556976166 /nfs/dbraw/zinc/97/61/66/556976166.db2.gz DEDCMUIHONVYEA-JTSKRJEESA-N 0 0 426.557 4.734 50 0 IJAARN COc1ccc(-c2nc3c4c5c(sc4ncn3n2)CN(Cc2ccccc2)CC5)cc1 ZINC000020064904 556978114 /nfs/dbraw/zinc/97/81/14/556978114.db2.gz CYEOCLRSSISKBQ-UHFFFAOYSA-N 0 0 427.533 4.573 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103575 556981323 /nfs/dbraw/zinc/98/13/23/556981323.db2.gz IGVLRHYAKBJRAL-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN CC(=O)Nc1cccc(O[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c1 ZINC000097960015 556986175 /nfs/dbraw/zinc/98/61/75/556986175.db2.gz RCQHHSGMHVALAO-INIZCTEOSA-N 0 0 436.122 4.804 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000020113681 556986900 /nfs/dbraw/zinc/98/69/00/556986900.db2.gz BLTUFVWYQIFVPT-UKILVPOCSA-N 0 0 448.494 4.966 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCCCc2ccccc2)cc1 ZINC000033269021 556987080 /nfs/dbraw/zinc/98/70/80/556987080.db2.gz KDKSQXHRQFWSJT-UHFFFAOYSA-N 0 0 446.576 4.554 50 0 IJAARN CCOC(=O)[C@@H]1CCN(C(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 ZINC000097103622 556987256 /nfs/dbraw/zinc/98/72/56/556987256.db2.gz FDPXVYCHUFJHOH-LJQANCHMSA-N 0 0 443.590 4.628 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097111438 556990311 /nfs/dbraw/zinc/99/03/11/556990311.db2.gz HEGDAMDRDNWNNH-KRWDZBQOSA-N 0 0 437.297 4.541 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1Cl ZINC000010672800 556993395 /nfs/dbraw/zinc/99/33/95/556993395.db2.gz MIYKYMQQJBCMLT-UHFFFAOYSA-N 0 0 428.901 4.621 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCC(C)C)cc1 ZINC000020176660 556995425 /nfs/dbraw/zinc/99/54/25/556995425.db2.gz SBOHXWAPBHCUCD-QFIPXVFZSA-N 0 0 437.540 4.606 50 0 IJAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)Cc1nc(-c2cccnc2)no1 ZINC000020202288 556998019 /nfs/dbraw/zinc/99/80/19/556998019.db2.gz OPHGTOASYUKEEU-UHFFFAOYSA-N 0 0 429.402 4.746 50 0 IJAARN Cc1noc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000077351965 556999103 /nfs/dbraw/zinc/99/91/03/556999103.db2.gz IKJJLXBFQRNKTR-FQEVSTJZSA-N 0 0 442.519 4.931 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000097993988 557002937 /nfs/dbraw/zinc/00/29/37/557002937.db2.gz QNHOJZJZQWDIEH-PFONDFGASA-N 0 0 428.536 4.635 50 0 IJAARN COc1cccc(OC)c1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020274532 557005047 /nfs/dbraw/zinc/00/50/47/557005047.db2.gz XZXQGNKSFAUZPC-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN CCOC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000078579350 557006509 /nfs/dbraw/zinc/00/65/09/557006509.db2.gz NEAGYRGZNJWPLE-HNNXBMFYSA-N 0 0 445.140 4.660 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)c(C)c1 ZINC000023126156 557007855 /nfs/dbraw/zinc/00/78/55/557007855.db2.gz WDNQFIWOTMWKKB-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000098003356 557012506 /nfs/dbraw/zinc/01/25/06/557012506.db2.gz SRVLKBALNHINLH-VPUOEENPSA-N 0 0 446.503 4.898 50 0 IJAARN Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NCCCN3CCOCC3)c2c1 ZINC000020407669 557013890 /nfs/dbraw/zinc/01/38/90/557013890.db2.gz MGTIDHSKDJBNAJ-UHFFFAOYSA-N 0 0 431.580 4.786 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2cccc(OC)c2)cc3C)cc1 ZINC000045990617 557016471 /nfs/dbraw/zinc/01/64/71/557016471.db2.gz MHPMIWRWCVROGP-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000046012180 557018450 /nfs/dbraw/zinc/01/84/50/557018450.db2.gz UFBOEKQNDXXDIX-UHFFFAOYSA-N 0 0 442.475 4.688 50 0 IJAARN COc1ccc(CN(C)C(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000046012112 557018468 /nfs/dbraw/zinc/01/84/68/557018468.db2.gz KTTOYOLERRIACW-UHFFFAOYSA-N 0 0 443.503 4.758 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000046012250 557018747 /nfs/dbraw/zinc/01/87/47/557018747.db2.gz AOUIOONIJBSSLK-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCc1ccccc1Cl ZINC000023138280 557021239 /nfs/dbraw/zinc/02/12/39/557021239.db2.gz YBKGDPXVFLSNCO-UHFFFAOYSA-N 0 0 434.348 4.640 50 0 IJAARN Cc1cccc(N2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)C[C@@H]2C)c1 ZINC000046022765 557022576 /nfs/dbraw/zinc/02/25/76/557022576.db2.gz XSWZSVNLFHYSQC-FQEVSTJZSA-N 0 0 438.579 4.694 50 0 IJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 ZINC000010748841 557023929 /nfs/dbraw/zinc/02/39/29/557023929.db2.gz LDIKQZOZFJBOEI-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)CCCc4ccccc4)cc3c2=O)cc1 ZINC000023143837 557025640 /nfs/dbraw/zinc/02/56/40/557025640.db2.gz YGWYKYAIAFBRLZ-UHFFFAOYSA-N 0 0 427.504 4.664 50 0 IJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000046053266 557026159 /nfs/dbraw/zinc/02/61/59/557026159.db2.gz JYAWOPINMMJKIP-UHFFFAOYSA-N 0 0 441.457 4.510 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 ZINC000023145184 557026913 /nfs/dbraw/zinc/02/69/13/557026913.db2.gz ABQYNGFPMBXNJC-UHFFFAOYSA-N 0 0 449.001 4.883 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3ccccc3Cl)c2cc1C ZINC000032944931 557028058 /nfs/dbraw/zinc/02/80/58/557028058.db2.gz GCSYATLCKOCGMS-ZDUSSCGKSA-N 0 0 437.849 4.563 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046056732 557028394 /nfs/dbraw/zinc/02/83/94/557028394.db2.gz LYUYPUDYEWFHGA-GOSISDBHSA-N 0 0 438.325 4.869 50 0 IJAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057130 557028744 /nfs/dbraw/zinc/02/87/44/557028744.db2.gz AVDYHTOCISYWBR-CQSZACIVSA-N 0 0 446.251 4.530 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)N3CCCCCC3)cc2c1 ZINC000046073597 557029832 /nfs/dbraw/zinc/02/98/32/557029832.db2.gz ZGTOVEFDXDBNBY-UHFFFAOYSA-N 0 0 442.606 4.884 50 0 IJAARN O=C(Cc1noc2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000022182194 557030795 /nfs/dbraw/zinc/03/07/95/557030795.db2.gz KJNBLVKDNWAZNR-UHFFFAOYSA-N 0 0 429.354 4.873 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000046076210 557032374 /nfs/dbraw/zinc/03/23/74/557032374.db2.gz KALYWQGRANIMGQ-MRXNPFEDSA-N 0 0 425.506 4.924 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 ZINC000046077414 557033032 /nfs/dbraw/zinc/03/30/32/557033032.db2.gz HXCMVZDQNWHCMD-UHFFFAOYSA-N 0 0 444.896 4.532 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)N1CCc2ccccc21 ZINC000046079603 557034650 /nfs/dbraw/zinc/03/46/50/557034650.db2.gz YKJCTYXTZFJIGC-UHFFFAOYSA-N 0 0 429.495 4.861 50 0 IJAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000046079697 557035044 /nfs/dbraw/zinc/03/50/44/557035044.db2.gz KXWLFUAERIUQJG-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)c1 ZINC000046080048 557035229 /nfs/dbraw/zinc/03/52/29/557035229.db2.gz QNIBUBFXIRKZTL-IBGZPJMESA-N 0 0 429.520 4.825 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017201214 557041154 /nfs/dbraw/zinc/04/11/54/557041154.db2.gz SKJPQDHEZXQDHJ-UHFFFAOYSA-N 0 0 426.881 4.561 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cccc(Cl)c1 ZINC000017243216 557043794 /nfs/dbraw/zinc/04/37/94/557043794.db2.gz RUFPIRCIWFUZFK-GOSISDBHSA-N 0 0 441.944 4.590 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)c(OC)c1OC ZINC000032948054 557045160 /nfs/dbraw/zinc/04/51/60/557045160.db2.gz QYFVCLSEZTWQGO-UHFFFAOYSA-N 0 0 437.880 4.518 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3C)nc2N)c(OC)c1OC ZINC000032948069 557045163 /nfs/dbraw/zinc/04/51/63/557045163.db2.gz WTZFBMNDOLFRHQ-UHFFFAOYSA-N 0 0 433.917 4.688 50 0 IJAARN C[C@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181489 557045334 /nfs/dbraw/zinc/04/53/34/557045334.db2.gz RUQKSNZSRCZIAH-FDDCHVKYSA-N 0 0 439.556 4.928 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4[nH]3)no2)cc1Cl ZINC000033270700 557047365 /nfs/dbraw/zinc/04/73/65/557047365.db2.gz LCFYWVPXYYXZLP-UHFFFAOYSA-N 0 0 427.917 4.771 50 0 IJAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)n[nH]2)c1 ZINC000033270824 557047647 /nfs/dbraw/zinc/04/76/47/557047647.db2.gz FTIVZXYAMCYNRQ-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN Cc1cc2nc(SCc3noc(CCC(=O)Nc4ccc(F)cc4F)n3)[nH]c2cc1C ZINC000033271033 557048688 /nfs/dbraw/zinc/04/86/88/557048688.db2.gz GXJDGTLZJAELAC-UHFFFAOYSA-N 0 0 443.479 4.705 50 0 IJAARN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1 ZINC000048274084 557051558 /nfs/dbraw/zinc/05/15/58/557051558.db2.gz YSLVUWJZZLGEGL-SFHVURJKSA-N 0 0 436.556 4.739 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000048290790 557055448 /nfs/dbraw/zinc/05/54/48/557055448.db2.gz YMSZTQNUQHZPBD-QHCPKHFHSA-N 0 0 431.561 4.676 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(C(C)C)cc2)c3=O)cc1 ZINC000033277744 557059497 /nfs/dbraw/zinc/05/94/97/557059497.db2.gz QMWUIEPZCSNYSX-UHFFFAOYSA-N 0 0 430.508 4.766 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048309321 557059885 /nfs/dbraw/zinc/05/98/85/557059885.db2.gz ZUVAXDUREOXRQJ-LEWJYISDSA-N 0 0 447.604 4.841 50 0 IJAARN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000048301045 557062667 /nfs/dbraw/zinc/06/26/67/557062667.db2.gz IQTVRLXZXXCDRJ-UHFFFAOYSA-N 0 0 432.364 4.938 50 0 IJAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000033287841 557065203 /nfs/dbraw/zinc/06/52/03/557065203.db2.gz CTTPHPYOIHMUDP-UHFFFAOYSA-N 0 0 438.531 4.691 50 0 IJAARN COc1cccc(CCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c1 ZINC000033288163 557065323 /nfs/dbraw/zinc/06/53/23/557065323.db2.gz OMIHFUUGUZJJFI-UHFFFAOYSA-N 0 0 427.504 4.582 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)cc1 ZINC000033288386 557065479 /nfs/dbraw/zinc/06/54/79/557065479.db2.gz DXNMKGQAZUYWFW-UHFFFAOYSA-N 0 0 432.524 4.695 50 0 IJAARN COc1cc2c(cc1OC)CN([C@@H](C)c1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000048324955 557065637 /nfs/dbraw/zinc/06/56/37/557065637.db2.gz USMPVUNRHXOYGJ-ZDUSSCGKSA-N 0 0 433.430 4.892 50 0 IJAARN CCOc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(C(C)(C)C)cc4)o3)CC2=O)cc1 ZINC000033290989 557069127 /nfs/dbraw/zinc/06/91/27/557069127.db2.gz OTJZTBVIGRYKJP-QGZVFWFLSA-N 0 0 448.523 4.539 50 0 IJAARN O[C@H](c1cccnc1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000023153360 557069901 /nfs/dbraw/zinc/06/99/01/557069901.db2.gz SDNVSIFOXRTLNZ-SANMLTNESA-N 0 0 440.547 4.590 50 0 IJAARN CN(C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000023174854 557070473 /nfs/dbraw/zinc/07/04/73/557070473.db2.gz CEGHYZGRNAHEGM-QFIPXVFZSA-N 0 0 448.954 4.878 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C)cc4C)C3)n2)c1 ZINC000033289839 557071509 /nfs/dbraw/zinc/07/15/09/557071509.db2.gz GPGZBSMTMJDVRN-LJQANCHMSA-N 0 0 432.524 4.722 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccccc3Cl)n2)c(OC)c1 ZINC000023186803 557071904 /nfs/dbraw/zinc/07/19/04/557071904.db2.gz LHOPRFXGNQIEKL-CYBMUJFWSA-N 0 0 431.945 4.770 50 0 IJAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4ccccc4C)no3)c2C)c(C)o1 ZINC000033296945 557072859 /nfs/dbraw/zinc/07/28/59/557072859.db2.gz CYOMAXOPVIICEH-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000048355193 557073625 /nfs/dbraw/zinc/07/36/25/557073625.db2.gz TYMXOAFQAFTGBQ-AWEZNQCLSA-N 0 0 444.318 4.724 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cccc(CC)c2)cc1 ZINC000033297934 557073870 /nfs/dbraw/zinc/07/38/70/557073870.db2.gz LXDAKXWXNOKOBB-KAMYIIQDSA-N 0 0 439.537 4.865 50 0 IJAARN O=C(CSc1nccc2c1ccn2Cc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000033298405 557074254 /nfs/dbraw/zinc/07/42/54/557074254.db2.gz PQXRPQVPXMBENI-UHFFFAOYSA-N 0 0 431.517 4.587 50 0 IJAARN O=C(CSc1nccc2c1ccn2Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000033298396 557074315 /nfs/dbraw/zinc/07/43/15/557074315.db2.gz RDYCFSMYCOUMDF-UHFFFAOYSA-N 0 0 442.588 4.526 50 0 IJAARN CSc1ccc([C@@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 ZINC000048362609 557074565 /nfs/dbraw/zinc/07/45/65/557074565.db2.gz NQGDELDEUIEYGK-QGZVFWFLSA-N 0 0 425.575 4.873 50 0 IJAARN O=C(NCC1(c2ccc(F)cc2)CC1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000048366120 557074840 /nfs/dbraw/zinc/07/48/40/557074840.db2.gz NRYNDAFQRACGTA-UHFFFAOYSA-N 0 0 430.523 4.679 50 0 IJAARN O=C(Nc1nnc(C(F)F)s1)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000048373864 557075856 /nfs/dbraw/zinc/07/58/56/557075856.db2.gz GMPUHCKTVGJORR-UHFFFAOYSA-N 0 0 427.230 4.678 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)NCCc2ccccc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299361 557077699 /nfs/dbraw/zinc/07/76/99/557077699.db2.gz IZMOUGATSATLHN-UHFFFAOYSA-N 0 0 430.473 4.560 50 0 IJAARN O=C(CSc1ccc2ccccc2c1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024634560 557078396 /nfs/dbraw/zinc/07/83/96/557078396.db2.gz MHOORIYRTBMIPV-UHFFFAOYSA-N 0 0 432.526 4.898 50 0 IJAARN Cc1cccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)c1 ZINC000048987284 557082901 /nfs/dbraw/zinc/08/29/01/557082901.db2.gz YQCCLEFUWWWTGA-GOSISDBHSA-N 0 0 430.577 4.984 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccccc2C)nc2c3cccnc3sc2c1=O ZINC000048988245 557083159 /nfs/dbraw/zinc/08/31/59/557083159.db2.gz VAKCMMKOONIPOW-UHFFFAOYSA-N 0 0 438.578 4.846 50 0 IJAARN O=c1ccn(-c2cccc(F)c2)nc1-c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000049006389 557085099 /nfs/dbraw/zinc/08/50/99/557085099.db2.gz JJWVYEVEXGYHIY-UHFFFAOYSA-N 0 0 440.434 4.668 50 0 IJAARN O=C(NCC1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000049006503 557085126 /nfs/dbraw/zinc/08/51/26/557085126.db2.gz XUKXBCCZQMMQDC-UHFFFAOYSA-N 0 0 445.567 4.712 50 0 IJAARN Cc1ccccc1-c1noc(-c2cccn(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)n1 ZINC000049002593 557090454 /nfs/dbraw/zinc/09/04/54/557090454.db2.gz GCHKJJPNUDMATF-UHFFFAOYSA-N 0 0 428.492 4.636 50 0 IJAARN Cc1cccc(-n2nnc(C(=O)NCc3cccc(C(F)(F)F)c3)c2-c2cccnc2)c1 ZINC000049003621 557091357 /nfs/dbraw/zinc/09/13/57/557091357.db2.gz YGLOBXGLBWBRGH-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN COc1ccc(CC[C@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000060137689 557092063 /nfs/dbraw/zinc/09/20/63/557092063.db2.gz IQQCLWLCFCXJRS-CPJSRVTESA-N 0 0 430.548 4.694 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312985 557097949 /nfs/dbraw/zinc/09/79/49/557097949.db2.gz WKCHRVPZNCFPAI-UHFFFAOYSA-N 0 0 441.304 4.898 50 0 IJAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000049403491 557099270 /nfs/dbraw/zinc/09/92/70/557099270.db2.gz RCPBSCHOVMGXPB-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1 ZINC000049405480 557100710 /nfs/dbraw/zinc/10/07/10/557100710.db2.gz RNFILECOGKAUSJ-UHFFFAOYSA-N 0 0 432.505 4.846 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C ZINC000023619954 557101539 /nfs/dbraw/zinc/10/15/39/557101539.db2.gz WZGZOHCHXIPODQ-MRXNPFEDSA-N 0 0 438.553 4.745 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)c(OC)c1 ZINC000023699265 557107215 /nfs/dbraw/zinc/10/72/15/557107215.db2.gz KKJXJCKTQBJUFJ-MRXNPFEDSA-N 0 0 426.494 4.588 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cc1 ZINC000023698701 557107253 /nfs/dbraw/zinc/10/72/53/557107253.db2.gz OKUXDQDCSAOHLA-IBGZPJMESA-N 0 0 430.430 4.580 50 0 IJAARN O=C(Nc1cccc(F)c1)c1cn(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)cn1 ZINC000049421932 557108948 /nfs/dbraw/zinc/10/89/48/557108948.db2.gz JXLXISBILDQKIX-UHFFFAOYSA-N 0 0 432.430 4.714 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3C)c2)cc1 ZINC000049422224 557109217 /nfs/dbraw/zinc/10/92/17/557109217.db2.gz HJRIXEITXCRLJL-UHFFFAOYSA-N 0 0 440.503 4.753 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(F)c4)cc3)cn2)cc1 ZINC000049422175 557109236 /nfs/dbraw/zinc/10/92/36/557109236.db2.gz JRDORBPFNKXXPW-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN COc1ccc(CCC(=O)N2CCC(Oc3nc4c(cccc4Cl)s3)CC2)cc1 ZINC000049432803 557110176 /nfs/dbraw/zinc/11/01/76/557110176.db2.gz DSRRCNDZWQIVGR-UHFFFAOYSA-N 0 0 430.957 4.961 50 0 IJAARN CCCc1nc(-n2cccc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000049544467 557110915 /nfs/dbraw/zinc/11/09/15/557110915.db2.gz PYHAAMJGUDPOHF-UHFFFAOYSA-N 0 0 429.973 4.664 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)cc1OCc1ccc(F)cc1 ZINC000049546198 557111779 /nfs/dbraw/zinc/11/17/79/557111779.db2.gz FCUZIDUYWFRQHJ-NRFANRHFSA-N 0 0 427.501 4.879 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)c(OC)c1OC ZINC000049547323 557112118 /nfs/dbraw/zinc/11/21/18/557112118.db2.gz JLRQOYKWHSFPRA-HNNXBMFYSA-N 0 0 427.888 4.734 50 0 IJAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C ZINC000049546874 557112135 /nfs/dbraw/zinc/11/21/35/557112135.db2.gz ZKGDXVGUSCBWGB-GOSISDBHSA-N 0 0 438.549 4.691 50 0 IJAARN O=C(COc1ccc(Br)cc1F)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000023223195 557116080 /nfs/dbraw/zinc/11/60/80/557116080.db2.gz MJKJHXDDWPDLME-OAHLLOKOSA-N 0 0 433.233 4.531 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 ZINC000033331883 557116289 /nfs/dbraw/zinc/11/62/89/557116289.db2.gz ZCPOVJKETZPTTC-VWLOTQADSA-N 0 0 437.515 4.545 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000033331911 557116360 /nfs/dbraw/zinc/11/63/60/557116360.db2.gz XJLHDEZMNYJIFX-WLYVOJLOSA-N 0 0 449.551 4.747 50 0 IJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 ZINC000004786920 557119650 /nfs/dbraw/zinc/11/96/50/557119650.db2.gz CBXDYSKHIAMELZ-FQEVSTJZSA-N 0 0 439.357 4.956 50 0 IJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004786656 557119817 /nfs/dbraw/zinc/11/98/17/557119817.db2.gz FWSIMTVWMPCFAI-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(I)cc1 ZINC000000629341 557122283 /nfs/dbraw/zinc/12/22/83/557122283.db2.gz DISSUDQTJRPIAB-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000000650943 557125930 /nfs/dbraw/zinc/12/59/30/557125930.db2.gz FFPAVYUEPFZZDZ-UHFFFAOYSA-N 0 0 446.532 4.586 50 0 IJAARN Cn1cc([C@H]2[C@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792854 557126108 /nfs/dbraw/zinc/12/61/08/557126108.db2.gz LHBFHLZVMSRRPM-RPBOFIJWSA-N 0 0 429.564 4.928 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799790 557127072 /nfs/dbraw/zinc/12/70/72/557127072.db2.gz OGXYKPJGBJFMKG-WIOPSUGQSA-N 0 0 448.494 4.884 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000017916655 557128693 /nfs/dbraw/zinc/12/86/93/557128693.db2.gz MYJJETJXVCWLAC-GFCCVEGCSA-N 0 0 433.405 4.707 50 0 IJAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000024030866 557132655 /nfs/dbraw/zinc/13/26/55/557132655.db2.gz JTTJMJQAGOYYBR-ZDUSSCGKSA-N 0 0 445.338 4.950 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)[C@H](C)C2CC2)cc1OC ZINC000024771545 557137042 /nfs/dbraw/zinc/13/70/42/557137042.db2.gz KRAQFNIHJFDFMJ-FDPSAONLSA-N 0 0 431.536 4.827 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000024778434 557138227 /nfs/dbraw/zinc/13/82/27/557138227.db2.gz NUUDNJDWRAGZPJ-UHFFFAOYSA-N 0 0 436.339 4.689 50 0 IJAARN COc1ccc(C(=O)c2sc3nc(C)c(C(=O)Nc4ccccc4)c(C)c3c2N)cc1 ZINC000000706731 557140403 /nfs/dbraw/zinc/14/04/03/557140403.db2.gz GEUKAFDVCNAVCW-UHFFFAOYSA-N 0 0 431.517 4.987 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cc(-c2ccco2)on1 ZINC000024375932 557145697 /nfs/dbraw/zinc/14/56/97/557145697.db2.gz QIFHFGXJWJSPBY-UHFFFAOYSA-N 0 0 443.868 4.641 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000024385769 557146053 /nfs/dbraw/zinc/14/60/53/557146053.db2.gz WNGIRPJNHRFGAO-GOSISDBHSA-N 0 0 429.586 4.997 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(Br)s1 ZINC000024385462 557146146 /nfs/dbraw/zinc/14/61/46/557146146.db2.gz AIQOTKHFLLKADY-UHFFFAOYSA-N 0 0 438.778 4.989 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000011434829 557147280 /nfs/dbraw/zinc/14/72/80/557147280.db2.gz IVCAKKBGWALCFD-UHFFFAOYSA-N 0 0 448.548 4.928 50 0 IJAARN O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N(Cc1ccco1)Cc1cccs1 ZINC000024459450 557147739 /nfs/dbraw/zinc/14/77/39/557147739.db2.gz TXVCTBMTZSUUAL-UHFFFAOYSA-N 0 0 446.484 4.573 50 0 IJAARN Cc1ccccc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O ZINC000024605916 557153056 /nfs/dbraw/zinc/15/30/56/557153056.db2.gz AUXZDLLGQLCJMQ-UHFFFAOYSA-N 0 0 440.590 4.692 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1sccc1-c1ccccc1 ZINC000024820416 557153641 /nfs/dbraw/zinc/15/36/41/557153641.db2.gz VZBORGNGGQIYLR-UHFFFAOYSA-N 0 0 429.339 4.888 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000024612057 557155147 /nfs/dbraw/zinc/15/51/47/557155147.db2.gz KSTCGPLWYNUGPK-UHFFFAOYSA-N 0 0 428.598 4.518 50 0 IJAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000024612061 557155383 /nfs/dbraw/zinc/15/53/83/557155383.db2.gz SDENYBHKMWIZSX-UHFFFAOYSA-N 0 0 448.588 4.843 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)o2)cc1 ZINC000011535291 557160667 /nfs/dbraw/zinc/16/06/67/557160667.db2.gz IGOQGOSLKKYPNO-UHFFFAOYSA-N 0 0 429.476 4.744 50 0 IJAARN CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)C(C)C ZINC000000738927 557166129 /nfs/dbraw/zinc/16/61/29/557166129.db2.gz HZNSXWJLFLZDDC-UHFFFAOYSA-N 0 0 432.568 4.989 50 0 IJAARN CCOC(=O)N1CCC[C@H](C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)C1 ZINC000024828644 557169502 /nfs/dbraw/zinc/16/95/02/557169502.db2.gz UYVBFGLITNBFPZ-SFHVURJKSA-N 0 0 435.476 4.542 50 0 IJAARN CCOC(=O)N1CCC[C@@H](C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)C1 ZINC000024828641 557169519 /nfs/dbraw/zinc/16/95/19/557169519.db2.gz UYVBFGLITNBFPZ-GOSISDBHSA-N 0 0 435.476 4.542 50 0 IJAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206997500 557169566 /nfs/dbraw/zinc/16/95/66/557169566.db2.gz XDDBJJZNNJQCSR-MRXNPFEDSA-N 0 0 445.940 4.657 50 0 IJAARN CC(C)c1c(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(=O)n(-c2ccccc2)n1C ZINC000024829202 557169738 /nfs/dbraw/zinc/16/97/38/557169738.db2.gz FNOIGEYDAFTBSU-UHFFFAOYSA-N 0 0 429.520 4.716 50 0 IJAARN COCCc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1 ZINC000024828833 557169746 /nfs/dbraw/zinc/16/97/46/557169746.db2.gz ZTAXODPPFCDSOS-UHFFFAOYSA-N 0 0 436.512 4.885 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000000759226 557170994 /nfs/dbraw/zinc/17/09/94/557170994.db2.gz VRBAFKMVMCRHMZ-MRXNPFEDSA-N 0 0 432.119 4.917 50 0 IJAARN CCOc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1OC ZINC000024870926 557173670 /nfs/dbraw/zinc/17/36/70/557173670.db2.gz OLWKXBZBYWUEKF-UHFFFAOYSA-N 0 0 431.492 4.661 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000024860817 557174562 /nfs/dbraw/zinc/17/45/62/557174562.db2.gz SLZDQHYRGSSRNL-UHFFFAOYSA-N 0 0 432.402 4.517 50 0 IJAARN Cc1c(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cnn1-c1cccc(Cl)c1 ZINC000024873819 557176003 /nfs/dbraw/zinc/17/60/03/557176003.db2.gz RWIFRMMVLBTLHM-UHFFFAOYSA-N 0 0 429.858 4.851 50 0 IJAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000024876650 557176327 /nfs/dbraw/zinc/17/63/27/557176327.db2.gz CYHMJFMMCWUZKA-MRXNPFEDSA-N 0 0 444.457 4.583 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000024923837 557179027 /nfs/dbraw/zinc/17/90/27/557179027.db2.gz AROROMLUCWEDJC-LJQANCHMSA-N 0 0 426.398 4.667 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000024923833 557179082 /nfs/dbraw/zinc/17/90/82/557179082.db2.gz AROROMLUCWEDJC-IBGZPJMESA-N 0 0 426.398 4.667 50 0 IJAARN COc1ccc(N(C(C)=O)c2nc(/C=C3/N=C(c4ccc(C)c(C)c4)OC3=O)cs2)cc1 ZINC000097987576 557183867 /nfs/dbraw/zinc/18/38/67/557183867.db2.gz AGSNNSVKWIKCAL-CIAFOILYSA-N 0 0 447.516 4.798 50 0 IJAARN Cc1c(NCC(=O)Nc2cccc(Cl)c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000024984653 557185790 /nfs/dbraw/zinc/18/57/90/557185790.db2.gz ZFICFSQGTXNFLK-UHFFFAOYSA-N 0 0 439.968 4.959 50 0 IJAARN NC(=O)C1CCN(C(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccc(F)cc2)CC1 ZINC000098003024 557189121 /nfs/dbraw/zinc/18/91/21/557189121.db2.gz WSJUIXYDBFDOSG-MNDPQUGUSA-N 0 0 443.522 4.588 50 0 IJAARN CC(C)n1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccco1 ZINC000009583229 557190702 /nfs/dbraw/zinc/19/07/02/557190702.db2.gz VYDGGQLBRJMQCO-UHFFFAOYSA-N 0 0 439.310 4.751 50 0 IJAARN Cc1nn(CCC(=O)N[C@@H](C)c2ccccc2)c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000025049158 557190950 /nfs/dbraw/zinc/19/09/50/557190950.db2.gz BTRZGNKOTAIJTH-UXHICEINSA-N 0 0 446.595 4.577 50 0 IJAARN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000009615074 557191970 /nfs/dbraw/zinc/19/19/70/557191970.db2.gz DIUPDWOHJWSAQX-UHFFFAOYSA-N 0 0 430.961 4.615 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1OCCC ZINC000025320455 557203888 /nfs/dbraw/zinc/20/38/88/557203888.db2.gz RVTIBSHGJGIPTF-ICSRJNTNSA-N 0 0 442.556 4.587 50 0 IJAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C(C)C)cc2)N(c2nnc(C)s2)C1=O ZINC000011614520 557209513 /nfs/dbraw/zinc/20/95/13/557209513.db2.gz HBTUOIVOEBCPJH-HXUWFJFHSA-N 0 0 447.516 4.835 50 0 IJAARN Cc1sc2nc([C@@H](C)OC(=O)CCc3ncc(-c4ccc(C)cc4)o3)[nH]c(=O)c2c1C ZINC000011645331 557219493 /nfs/dbraw/zinc/21/94/93/557219493.db2.gz AONYCPVYVSCERB-CQSZACIVSA-N 0 0 437.521 4.802 50 0 IJAARN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C ZINC000025672447 557221206 /nfs/dbraw/zinc/22/12/06/557221206.db2.gz IPVYZNOKKVUOQW-UHFFFAOYSA-N 0 0 433.533 4.862 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783772 557226202 /nfs/dbraw/zinc/22/62/02/557226202.db2.gz NUBVZFVZMMLZCC-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1F ZINC000098073056 557233272 /nfs/dbraw/zinc/23/32/72/557233272.db2.gz JOZKEGYCVUISFR-UHFFFAOYSA-N 0 0 443.519 4.805 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000025901536 557229691 /nfs/dbraw/zinc/22/96/91/557229691.db2.gz JNHBEANJALOXAM-YKSBVNFPSA-N 0 0 448.563 4.914 50 0 IJAARN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 ZINC000023320570 557231889 /nfs/dbraw/zinc/23/18/89/557231889.db2.gz QKRDPVWAGUVESR-IBGZPJMESA-N 0 0 433.552 4.924 50 0 IJAARN COc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3o2)cc1OC ZINC000098086942 557233546 /nfs/dbraw/zinc/23/35/46/557233546.db2.gz UOBLUQXGQGWSFA-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000026089891 557234023 /nfs/dbraw/zinc/23/40/23/557234023.db2.gz WHVGOIJBQAMIGE-UHFFFAOYSA-N 0 0 433.558 4.519 50 0 IJAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000026128088 557235705 /nfs/dbraw/zinc/23/57/05/557235705.db2.gz UDNNWBMOUSLOCH-UHFFFAOYSA-N 0 0 446.934 4.735 50 0 IJAARN O=C(NC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1 ZINC000026180371 557236735 /nfs/dbraw/zinc/23/67/35/557236735.db2.gz VCXQXYFIWKRHTF-LJQANCHMSA-N 0 0 425.920 4.566 50 0 IJAARN O=C(NC[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1 ZINC000026180376 557236818 /nfs/dbraw/zinc/23/68/18/557236818.db2.gz VCXQXYFIWKRHTF-IBGZPJMESA-N 0 0 425.920 4.566 50 0 IJAARN CCOC(=O)c1sc2cccc(F)c2c1CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000026228759 557237791 /nfs/dbraw/zinc/23/77/91/557237791.db2.gz NRBPMRMEYUHRQB-UHFFFAOYSA-N 0 0 440.540 4.742 50 0 IJAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Br)cc1 ZINC000032951198 557240165 /nfs/dbraw/zinc/24/01/65/557240165.db2.gz BRNNJYYVZTVPPY-UHFFFAOYSA-N 0 0 427.224 4.639 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000026391521 557240473 /nfs/dbraw/zinc/24/04/73/557240473.db2.gz YTIQBEKWZLVHAS-UHFFFAOYSA-N 0 0 447.516 4.735 50 0 IJAARN CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100112341 557240700 /nfs/dbraw/zinc/24/07/00/557240700.db2.gz VDGHBABJLAMNGG-CZBREUMFSA-N 0 0 444.575 4.683 50 0 IJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100112344 557240779 /nfs/dbraw/zinc/24/07/79/557240779.db2.gz VDGHBABJLAMNGG-YHGPEZAFSA-N 0 0 444.575 4.683 50 0 IJAARN CCOc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000018180989 557245895 /nfs/dbraw/zinc/24/58/95/557245895.db2.gz BVWGGNMNALAHCY-ZRBLBEILSA-N 0 0 448.906 4.790 50 0 IJAARN Nc1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1=O ZINC000100206660 557247550 /nfs/dbraw/zinc/24/75/50/557247550.db2.gz WDOKUYIVMBNRIB-FQEVSTJZSA-N 0 0 436.920 4.577 50 0 IJAARN Cc1c2ccccc2oc1-c1nc2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2n1 ZINC000026779452 557248509 /nfs/dbraw/zinc/24/85/09/557248509.db2.gz PZFIBSRXZUZDBR-SXGWCWSVSA-N 0 0 428.300 4.727 50 0 IJAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000018238668 557253595 /nfs/dbraw/zinc/25/35/95/557253595.db2.gz SBHNEABQYDOKRC-ROUUACIJSA-N 0 0 426.900 4.636 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1C ZINC000027019653 557254505 /nfs/dbraw/zinc/25/45/05/557254505.db2.gz YJTNNOBOHHEDDP-JOCHJYFZSA-N 0 0 447.922 4.953 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000018256521 557254660 /nfs/dbraw/zinc/25/46/60/557254660.db2.gz GBHCHIQUVULVOR-LBPRGKRZSA-N 0 0 442.821 4.596 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc(Oc4ccccc4)cc3)c2N)cc1 ZINC000022776128 557270761 /nfs/dbraw/zinc/27/07/61/557270761.db2.gz VKDQKCJZAPBDRR-UHFFFAOYSA-N 0 0 448.548 4.772 50 0 IJAARN O=C(c1cccc2ccccc21)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000027740456 557271813 /nfs/dbraw/zinc/27/18/13/557271813.db2.gz AKPUUTATSBHOJG-SFHVURJKSA-N 0 0 448.371 4.976 50 0 IJAARN CCc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000829959 557272569 /nfs/dbraw/zinc/27/25/69/557272569.db2.gz WOZUPTQVOITSKU-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3sc(C)c(CC)c3c(=O)n2C[C@H]2CCCO2)n1 ZINC000027771914 557273388 /nfs/dbraw/zinc/27/33/88/557273388.db2.gz WBYKHUAYPUHQPA-UONOGXRCSA-N 0 0 448.614 4.697 50 0 IJAARN CCn1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2Cl)c1C ZINC000013038650 557273760 /nfs/dbraw/zinc/27/37/60/557273760.db2.gz DDGVANDHQUWKPR-VAWYXSNFSA-N 0 0 425.916 4.712 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)NCC(C)C)=CSC2=N1 ZINC000101401361 557280227 /nfs/dbraw/zinc/28/02/27/557280227.db2.gz QOPHWJXVICEWJX-QFIPXVFZSA-N 0 0 441.597 4.604 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@@H]1c1cccc(Cl)c1 ZINC000101402769 557280405 /nfs/dbraw/zinc/28/04/05/557280405.db2.gz NURZQCIBYRZRJV-HXUWFJFHSA-N 0 0 447.988 4.640 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)NC(C)(C)C)=CSC2=N1 ZINC000101405233 557282089 /nfs/dbraw/zinc/28/20/89/557282089.db2.gz UQEZNNQAHIVCAG-NRFANRHFSA-N 0 0 441.597 4.746 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000102070997 557298328 /nfs/dbraw/zinc/29/83/28/557298328.db2.gz AHBMUDLOQLFHKT-VMDGZTHMSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1c(Cl)cccc1NCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[nH]c2n1 ZINC000101796928 557298666 /nfs/dbraw/zinc/29/86/66/557298666.db2.gz ZOTCJSCURKLJTM-UHFFFAOYSA-N 0 0 436.947 4.727 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 ZINC000101828416 557300182 /nfs/dbraw/zinc/30/01/82/557300182.db2.gz CUJYSMOJSUKMFJ-GOSISDBHSA-N 0 0 436.515 4.570 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000014095897 557303047 /nfs/dbraw/zinc/30/30/47/557303047.db2.gz MLAIRNHORRLDAJ-OAHLLOKOSA-N 0 0 433.512 4.584 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(C)cc3)C(=O)c3ccccc3C)nn2c1=O ZINC000101861438 557304107 /nfs/dbraw/zinc/30/41/07/557304107.db2.gz ACNLSNDIZRPDCM-UHFFFAOYSA-N 0 0 443.551 4.532 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(CC)cc3)CC2=O)cc1 ZINC000101880741 557304982 /nfs/dbraw/zinc/30/49/82/557304982.db2.gz LACBTDZWPKTUAG-UHFFFAOYSA-N 0 0 442.519 4.539 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c(C)c1 ZINC000101881017 557305192 /nfs/dbraw/zinc/30/51/92/557305192.db2.gz MAVAJBQFMAHNFM-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)c1 ZINC000101881749 557305721 /nfs/dbraw/zinc/30/57/21/557305721.db2.gz LPLYVBRACVPLKX-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN COc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C(c2cccs2)CC1=O ZINC000101947878 557308680 /nfs/dbraw/zinc/30/86/80/557308680.db2.gz QPUHPSWTWJRULK-UHFFFAOYSA-N 0 0 433.533 4.870 50 0 IJAARN COc1cccc2c1O[C@@H](c1cc(OC)c(OC)c(OC)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000102045911 557309106 /nfs/dbraw/zinc/30/91/06/557309106.db2.gz GEEXJWRUEZEXFK-XDHUDOTRSA-N 0 0 436.464 4.556 50 0 IJAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)n1 ZINC000023326508 557312107 /nfs/dbraw/zinc/31/21/07/557312107.db2.gz PEBWHFIAOVWNTM-LJQANCHMSA-N 0 0 433.552 4.877 50 0 IJAARN COc1ccc(C)cc1CSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000014170175 557313211 /nfs/dbraw/zinc/31/32/11/557313211.db2.gz MHSJEEADMXRPEU-KRWDZBQOSA-N 0 0 430.957 4.838 50 0 IJAARN CCOc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)cc(Br)c1OC ZINC000014182381 557314246 /nfs/dbraw/zinc/31/42/46/557314246.db2.gz APUWHIUXEFWNCH-UHFFFAOYSA-N 0 0 430.701 4.921 50 0 IJAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032622998 557314354 /nfs/dbraw/zinc/31/43/54/557314354.db2.gz KTDDOFJRHMNGBH-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN Cc1cccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1C ZINC000032949124 557320305 /nfs/dbraw/zinc/32/03/05/557320305.db2.gz RHZDXFSBYQYJJS-UHFFFAOYSA-N 0 0 446.503 4.736 50 0 IJAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000032948763 557320366 /nfs/dbraw/zinc/32/03/66/557320366.db2.gz CGYMDMFZBAMOMU-HXUWFJFHSA-N 0 0 436.483 4.847 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccccc4Br)cc(=O)n3c2cc1C ZINC000033008921 557320600 /nfs/dbraw/zinc/32/06/00/557320600.db2.gz FYRLBSIUMKPNOC-UHFFFAOYSA-N 0 0 428.311 4.541 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1 ZINC000102425869 557321846 /nfs/dbraw/zinc/32/18/46/557321846.db2.gz WJBWTIXHPZDGMH-UHFFFAOYSA-N 0 0 431.467 4.639 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cn(-c2cc(-c3noc(C)n3)ccc2C)nc1C ZINC000033115964 557324223 /nfs/dbraw/zinc/32/42/23/557324223.db2.gz SKIMPXUBMMOUAA-UHFFFAOYSA-N 0 0 437.887 4.762 50 0 IJAARN Cc1ccc(Cn2c(S[C@H](C(=O)N(C)C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000014229184 557326787 /nfs/dbraw/zinc/32/67/87/557326787.db2.gz NZMQDYPUERTQNQ-QHCPKHFHSA-N 0 0 443.572 4.675 50 0 IJAARN Brc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000033298222 557330696 /nfs/dbraw/zinc/33/06/96/557330696.db2.gz KEDQSKHSEVWEBO-UHFFFAOYSA-N 0 0 442.294 4.942 50 0 IJAARN COc1ccc(NC(=O)C(=O)c2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000071981493 557333595 /nfs/dbraw/zinc/33/35/95/557333595.db2.gz AYYHUSWWHRBYOE-UHFFFAOYSA-N 0 0 440.858 4.870 50 0 IJAARN COc1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000033428401 557335185 /nfs/dbraw/zinc/33/51/85/557335185.db2.gz PANZFZJNYBSMOI-UHFFFAOYSA-N 0 0 433.533 4.991 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C(=O)C2)cc1 ZINC000102530202 557341808 /nfs/dbraw/zinc/34/18/08/557341808.db2.gz LOFGULHBQAXFTQ-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1 ZINC000023331636 557343887 /nfs/dbraw/zinc/34/38/87/557343887.db2.gz HHTCCHTWNXPPIK-UHFFFAOYSA-N 0 0 439.943 4.930 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000085385002 557345599 /nfs/dbraw/zinc/34/55/99/557345599.db2.gz FTTZUUBVEZCVJD-LJQANCHMSA-N 0 0 432.568 4.501 50 0 IJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000023332883 557346263 /nfs/dbraw/zinc/34/62/63/557346263.db2.gz XUMJVBBSAXRNOP-VXKWHMMOSA-N 0 0 436.508 4.535 50 0 IJAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000033683945 557347277 /nfs/dbraw/zinc/34/72/77/557347277.db2.gz BPERLEJQOVBZRV-OAQYLSRUSA-N 0 0 449.601 4.828 50 0 IJAARN O=C(c1c(F)cccc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023334015 557347943 /nfs/dbraw/zinc/34/79/43/557347943.db2.gz WCQDWXYNSUPUOY-UHFFFAOYSA-N 0 0 428.429 4.790 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)c3)n2)o1 ZINC000023336374 557348795 /nfs/dbraw/zinc/34/87/95/557348795.db2.gz SUYHHJOFOYXIEO-ROUUACIJSA-N 0 0 435.572 4.937 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(C2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000023424359 557353070 /nfs/dbraw/zinc/35/30/70/557353070.db2.gz GWYAWLBCHVNRNW-UHFFFAOYSA-N 0 0 447.535 4.521 50 0 IJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1)n2CC1CC1)N1CCCC1 ZINC000023425815 557353454 /nfs/dbraw/zinc/35/34/54/557353454.db2.gz WGOYQMJQWWVMME-UHFFFAOYSA-N 0 0 427.595 4.523 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3[C@H](C)C=C[C@H]3C)cc2)n1 ZINC000023433200 557355748 /nfs/dbraw/zinc/35/57/48/557355748.db2.gz SHYLUBUUAHYTNO-RTBURBONSA-N 0 0 429.520 4.813 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023441583 557357931 /nfs/dbraw/zinc/35/79/31/557357931.db2.gz ROKKQZGVNXGTQU-QHCPKHFHSA-N 0 0 427.422 4.909 50 0 IJAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000023461265 557360859 /nfs/dbraw/zinc/36/08/59/557360859.db2.gz DHBHBGNPSGZLRO-UHFFFAOYSA-N 0 0 449.457 4.765 50 0 IJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H](C)CCc4ccccc4)c3)n2)o1 ZINC000023454438 557362138 /nfs/dbraw/zinc/36/21/38/557362138.db2.gz DILGBTXKMJYGDR-KRWDZBQOSA-N 0 0 441.535 4.859 50 0 IJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCCc4ccc(F)cc4)c3)n2)o1 ZINC000023456410 557362736 /nfs/dbraw/zinc/36/27/36/557362736.db2.gz HKGORMCCRMERSK-UHFFFAOYSA-N 0 0 447.514 4.541 50 0 IJAARN O=C(c1cccs1)N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1 ZINC000023456859 557362746 /nfs/dbraw/zinc/36/27/46/557362746.db2.gz BCRQDWIQGWNLJC-UHFFFAOYSA-N 0 0 442.544 4.960 50 0 IJAARN CCOc1ccccc1CNc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000072328490 557365296 /nfs/dbraw/zinc/36/52/96/557365296.db2.gz GESJFHQDAWWVPW-UHFFFAOYSA-N 0 0 425.529 4.574 50 0 IJAARN CCCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(C)c(F)c1)CCC3 ZINC000023557969 557365913 /nfs/dbraw/zinc/36/59/13/557365913.db2.gz IUEPTXJSZOIEFQ-UHFFFAOYSA-N 0 0 431.558 4.535 50 0 IJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000023605927 557368550 /nfs/dbraw/zinc/36/85/50/557368550.db2.gz FUVXFYMUDFKHAM-UHFFFAOYSA-N 0 0 437.421 4.881 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000102737533 557379891 /nfs/dbraw/zinc/37/98/91/557379891.db2.gz MKQVRACFRHRUGC-QRQCRPRQSA-N 0 0 448.479 4.724 50 0 IJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1OC ZINC000102835096 557394263 /nfs/dbraw/zinc/39/42/63/557394263.db2.gz OLDGUXXTAJSRNM-RBZFPXEDSA-N 0 0 436.443 4.855 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C\c1nc2ccccc2s1 ZINC000033492380 557401946 /nfs/dbraw/zinc/40/19/46/557401946.db2.gz WLMYCLOOOFQVSR-KTKRTIGZSA-N 0 0 433.455 4.604 50 0 IJAARN COc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)c(OC)c1OC ZINC000102894187 557406144 /nfs/dbraw/zinc/40/61/44/557406144.db2.gz DUVXBGRAFMOTKL-LJQANCHMSA-N 0 0 447.491 4.818 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000102914524 557412275 /nfs/dbraw/zinc/41/22/75/557412275.db2.gz MPNFCRMMSSJXAV-NJDAHSKKSA-N 0 0 438.405 4.757 50 0 IJAARN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(C)=O ZINC000103006101 557415408 /nfs/dbraw/zinc/41/54/08/557415408.db2.gz HERXDMZGRGPLFY-UIFIKXQLSA-N 0 0 447.712 4.973 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000025778444 557420986 /nfs/dbraw/zinc/42/09/86/557420986.db2.gz HMGBSDCEOJSYSZ-SAPNQHFASA-N 0 0 428.532 4.993 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)[C@H]1C ZINC000103233873 557427910 /nfs/dbraw/zinc/42/79/10/557427910.db2.gz TVXDYQVOJSRYIB-KGVIQGDOSA-N 0 0 433.637 4.776 50 0 IJAARN O=C1C(=Cc2cc(Br)cs2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000103625563 557440298 /nfs/dbraw/zinc/44/02/98/557440298.db2.gz HZLGETIQMANMAJ-SDQBBNPISA-N 0 0 449.273 4.671 50 0 IJAARN COc1cc(CCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc(OC)c1OC ZINC000014816806 557458290 /nfs/dbraw/zinc/45/82/90/557458290.db2.gz OIKVKVUSNRXCEN-UHFFFAOYSA-N 0 0 448.519 4.844 50 0 IJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)c(Cl)c3)o2)cc1C ZINC000051317371 557468659 /nfs/dbraw/zinc/46/86/59/557468659.db2.gz KBLGTSFSGKQWLT-UHFFFAOYSA-N 0 0 435.904 4.593 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000019912992 557498890 /nfs/dbraw/zinc/49/88/90/557498890.db2.gz MTQPKXXLQKUAQY-HNNXBMFYSA-N 0 0 434.751 4.547 50 0 IJAARN O=c1c2ccccc2c(-c2cccs2)nn1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000036748473 557521023 /nfs/dbraw/zinc/52/10/23/557521023.db2.gz WLLRRLYNCLPUIO-UHFFFAOYSA-N 0 0 436.968 4.558 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000012074533 557526903 /nfs/dbraw/zinc/52/69/03/557526903.db2.gz UUCXDCHHNMQTMI-UHFFFAOYSA-N 0 0 437.931 4.966 50 0 IJAARN Cc1ccc(C)c(C2=NN(CCCN3CCOCC3)C(c3ccc(F)cc3)=CS2)c1 ZINC000025179735 557528757 /nfs/dbraw/zinc/52/87/57/557528757.db2.gz UZZOTAXQOWGLNZ-UHFFFAOYSA-N 0 0 425.573 4.874 50 0 IJAARN CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000107176735 557535091 /nfs/dbraw/zinc/53/50/91/557535091.db2.gz CPAFIJLYVCPFFV-CGYQNGNCSA-N 0 0 440.927 4.916 50 0 IJAARN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044892478 557539857 /nfs/dbraw/zinc/53/98/57/557539857.db2.gz QTQVBYDLLJQGPB-XMMPIXPASA-N 0 0 432.564 4.806 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1cc(OC)ccc1Cl ZINC000044900421 557540109 /nfs/dbraw/zinc/54/01/09/557540109.db2.gz LULPZSIWRNACIZ-GOSISDBHSA-N 0 0 440.887 4.530 50 0 IJAARN O=C(Nc1ccc(F)cc1F)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1 ZINC000045921553 557547544 /nfs/dbraw/zinc/54/75/44/557547544.db2.gz NZMVFEXLGMYYDD-UHFFFAOYSA-N 0 0 426.492 4.761 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942051 557551749 /nfs/dbraw/zinc/55/17/49/557551749.db2.gz OACMKPKLPCUSEN-XMMPIXPASA-N 0 0 443.499 4.577 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1cc(Cl)ccc1C ZINC000045943030 557552226 /nfs/dbraw/zinc/55/22/26/557552226.db2.gz HXGKCVBJAFBKMN-UHFFFAOYSA-N 0 0 429.904 4.913 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)c1 ZINC000045971594 557555569 /nfs/dbraw/zinc/55/55/69/557555569.db2.gz KLMCYZJOPLXAOT-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN O=c1oc2ccccc2c(NCC2CCCCC2)c1NS(=O)(=O)c1ccccc1F ZINC000045962051 557557039 /nfs/dbraw/zinc/55/70/39/557557039.db2.gz BUXGFTAROYDVQU-UHFFFAOYSA-N 0 0 430.501 4.725 50 0 IJAARN O=C(Cn1ccc2ccc(Br)cc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000040309785 557711851 /nfs/dbraw/zinc/71/18/51/557711851.db2.gz XOIKXKOCDFJAEK-UHFFFAOYSA-N 0 0 430.733 4.897 50 0 biogenic IJAARN CCc1csc(NC2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)n1 ZINC000225391051 557717725 /nfs/dbraw/zinc/71/77/25/557717725.db2.gz AYWDBYHFXRQAPU-UHFFFAOYSA-N 0 0 428.783 4.838 50 0 IJAARN COc1cc(OC)cc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000225495135 557730013 /nfs/dbraw/zinc/73/00/13/557730013.db2.gz UKQUZXHTAUIXPB-XMMPIXPASA-N 0 0 436.533 4.552 50 0 IJAARN Cc1cccc(C(=O)Nc2cc3cc(Br)cc(Br)c3oc2=O)c1 ZINC000000842315 557797506 /nfs/dbraw/zinc/79/75/06/557797506.db2.gz HEMBXYYOCZTHJH-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000226905027 557810963 /nfs/dbraw/zinc/81/09/63/557810963.db2.gz LSSSCLSZTSZTQM-WXFUMESZSA-N 0 0 441.462 4.667 50 0 IJAARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl ZINC000096602165 557811534 /nfs/dbraw/zinc/81/15/34/557811534.db2.gz UCVHTFNYQATWTH-YDZHTSKRSA-N 0 0 428.327 4.968 50 0 IJAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000000855134 557831177 /nfs/dbraw/zinc/83/11/77/557831177.db2.gz JMGHPNRXTSRKCR-QHCPKHFHSA-N 0 0 441.574 4.807 50 0 IJAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000000855135 557831218 /nfs/dbraw/zinc/83/12/18/557831218.db2.gz JMGHPNRXTSRKCR-HSZRJFAPSA-N 0 0 441.574 4.807 50 0 IJAARN COc1ccc(CN(CC[C@]2(c3ccccc3)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856839 557831374 /nfs/dbraw/zinc/83/13/74/557831374.db2.gz PEKCMKQLYHFDRC-SANMLTNESA-N 0 0 425.569 4.969 50 0 biogenic IJAARN C[C@@H](c1ccccc1)n1c(SCC(=O)N(C)Cc2ccsc2)nc2ccccc2c1=O ZINC000018550962 557837679 /nfs/dbraw/zinc/83/76/79/557837679.db2.gz MOMCLTQPSRWPJN-KRWDZBQOSA-N 0 0 449.601 4.818 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)[C@H]1CCOC(C)(C)C1)C2 ZINC000014993248 557838534 /nfs/dbraw/zinc/83/85/34/557838534.db2.gz PGPOYSKOQIMXRJ-FUHWJXTLSA-N 0 0 436.577 4.897 50 0 IJAARN CC[C@@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)N(C)C ZINC000239667830 557845105 /nfs/dbraw/zinc/84/51/05/557845105.db2.gz BRROHCAMCVLOSP-DZGCQCFKSA-N 0 0 444.454 4.595 50 0 IJAARN C[C@H](CC(=O)NCc1cccc(OC(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000241124251 557845937 /nfs/dbraw/zinc/84/59/37/557845937.db2.gz JGRVPHOYMHYVLY-OAHLLOKOSA-N 0 0 426.504 4.578 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000241776832 557846774 /nfs/dbraw/zinc/84/67/74/557846774.db2.gz RTASNQGRAPUKIV-HXUWFJFHSA-N 0 0 446.532 4.994 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)c1 ZINC000000884152 557854558 /nfs/dbraw/zinc/85/45/58/557854558.db2.gz DOUWMMHWJRVWAO-UXHICEINSA-N 0 0 444.457 4.525 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)Nc1ccccc1 ZINC000000886560 557855595 /nfs/dbraw/zinc/85/55/95/557855595.db2.gz AJZWCOXCIYJGQE-UHFFFAOYSA-N 0 0 430.489 4.720 50 0 IJAARN COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)N4CCOCC4)sc3n2)cc1 ZINC000000892336 557860456 /nfs/dbraw/zinc/86/04/56/557860456.db2.gz PESVKRHEMOFBLS-UHFFFAOYSA-N 0 0 445.544 4.694 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NCc3ccccc3)n2)cc1 ZINC000000920474 562919595 /nfs/dbraw/zinc/91/95/95/562919595.db2.gz OXULUCWOIDAUII-UHFFFAOYSA-N 0 0 447.482 4.970 50 0 IJAARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc(-c3ccccc3)nn21 ZINC000000956248 562919806 /nfs/dbraw/zinc/91/98/06/562919806.db2.gz QVJCZONGLWIEQY-HSZRJFAPSA-N 0 0 437.503 4.881 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001018717 562920019 /nfs/dbraw/zinc/92/00/19/562920019.db2.gz RFSYFPVBKHLXNY-QHCPKHFHSA-N 0 0 436.533 4.552 50 0 aggregator IJAARN Cc1ccc(NC(=O)/C(=C/c2cccc(Br)c2)NC(=O)c2ccco2)cc1 ZINC000001190810 562920766 /nfs/dbraw/zinc/92/07/66/562920766.db2.gz RZBXAPYKOIFDEK-AQTBWJFISA-N 0 0 425.282 4.760 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001784952 562924688 /nfs/dbraw/zinc/92/46/88/562924688.db2.gz PBTWKSYBRUAMHQ-ZDUSSCGKSA-N 0 0 444.988 4.605 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1Cl ZINC000003023679 562931778 /nfs/dbraw/zinc/93/17/78/562931778.db2.gz GUZDYWIXZRKLDZ-UHFFFAOYSA-N 0 0 446.931 4.561 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)N1CCOCC1 ZINC000003050034 562932242 /nfs/dbraw/zinc/93/22/42/562932242.db2.gz FNBPHQSNZYZAHC-UHFFFAOYSA-N 0 0 448.519 4.610 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1Cl ZINC000003192023 562932619 /nfs/dbraw/zinc/93/26/19/562932619.db2.gz BUJTZUJOKDKHSJ-NRFANRHFSA-N 0 0 433.943 4.853 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000003343790 562934551 /nfs/dbraw/zinc/93/45/51/562934551.db2.gz KFNAWWUFIQYLQD-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000003421767 562935570 /nfs/dbraw/zinc/93/55/70/562935570.db2.gz HATPFYQCRUIMTF-UHFFFAOYSA-N 0 0 441.527 4.711 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc(C)c(F)c1 ZINC000003448350 562935968 /nfs/dbraw/zinc/93/59/68/562935968.db2.gz MDTSOGVVNMTROX-MDZDMXLPSA-N 0 0 445.853 4.616 50 0 aggregator IJAARN Cc1sc2nc(SCC(=O)N(C)Cc3ccccc3)n(-c3ccccc3)c(=O)c2c1C ZINC000003470889 562936166 /nfs/dbraw/zinc/93/61/66/562936166.db2.gz YQCXKQUNPHHSRE-UHFFFAOYSA-N 0 0 449.601 4.815 50 0 IJAARN Cc1cc(C)c(NC(=O)COC(=O)CSc2ccc(Br)cc2C)c(C)c1 ZINC000003525520 562936352 /nfs/dbraw/zinc/93/63/52/562936352.db2.gz GZNYZVIOIRLMHD-UHFFFAOYSA-N 0 0 436.371 4.957 50 0 IJAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccccc2F)cc1OC ZINC000003665658 562937586 /nfs/dbraw/zinc/93/75/86/562937586.db2.gz QQZLEEAQZIEHIC-UHFFFAOYSA-N 0 0 425.529 4.680 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1 ZINC000004110588 562941988 /nfs/dbraw/zinc/94/19/88/562941988.db2.gz ADHULCIFUGVWPL-UHFFFAOYSA-N 0 0 446.507 4.781 50 0 IJAARN COc1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000004312879 562943102 /nfs/dbraw/zinc/94/31/02/562943102.db2.gz OLGXYPQVXGQYNC-YUDQIZAISA-N 0 0 433.485 4.714 50 0 IJAARN COc1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000004312881 562943104 /nfs/dbraw/zinc/94/31/04/562943104.db2.gz OLGXYPQVXGQYNC-DJUQAAIZSA-N 0 0 433.485 4.714 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC ZINC000006578126 562947999 /nfs/dbraw/zinc/94/79/99/562947999.db2.gz AXFTUHAZCXHICJ-HSZRJFAPSA-N 0 0 442.471 4.654 50 0 IJAARN N=c1c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccc(Cl)cc1 ZINC000008411072 562949328 /nfs/dbraw/zinc/94/93/28/562949328.db2.gz PFGKLZRVCOTGRR-UHFFFAOYSA-N 0 0 431.908 4.841 50 0 IJAARN CCCOc1ccc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587869 562950488 /nfs/dbraw/zinc/95/04/88/562950488.db2.gz RGKAXERIZRZEED-UHFFFAOYSA-N 0 0 449.576 4.805 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589233 562951126 /nfs/dbraw/zinc/95/11/26/562951126.db2.gz ZKRRCGAOBXOFHN-LJAQVGFWSA-N 0 0 431.941 4.711 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1C ZINC000008590376 562951655 /nfs/dbraw/zinc/95/16/55/562951655.db2.gz ABRIUFSKYLHWEL-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN Cc1ccccc1CSc1nc2cccnc2n1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000008591268 562951984 /nfs/dbraw/zinc/95/19/84/562951984.db2.gz MVDLGZRGJOAQFV-UHFFFAOYSA-N 0 0 428.561 4.973 50 0 IJAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3F)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595723 562953666 /nfs/dbraw/zinc/95/36/66/562953666.db2.gz PUSOKNCCZNCGEI-UHFFFAOYSA-N 0 0 444.441 4.716 50 0 IJAARN Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4c(C)ccc(C)c4[nH]3)s2)cc1 ZINC000008598234 562954176 /nfs/dbraw/zinc/95/41/76/562954176.db2.gz OYPFWOBPYHWCKG-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 ZINC000008599336 562954645 /nfs/dbraw/zinc/95/46/45/562954645.db2.gz HAYWMRHPSKMVQI-UHFFFAOYSA-N 0 0 428.561 4.998 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000008606404 562957015 /nfs/dbraw/zinc/95/70/15/562957015.db2.gz UKQQKJQATDJRHO-UHFFFAOYSA-N 0 0 436.512 4.818 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C ZINC000008611368 562958563 /nfs/dbraw/zinc/95/85/63/562958563.db2.gz PIKUVIFOVZBIHX-UHFFFAOYSA-N 0 0 442.519 4.704 50 0 IJAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2c(C)c1 ZINC000008612049 562958945 /nfs/dbraw/zinc/95/89/45/562958945.db2.gz YLXCMBYLIQQNGU-MRXNPFEDSA-N 0 0 440.565 4.651 50 0 aggregator IJAARN CCCCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000008612252 562959098 /nfs/dbraw/zinc/95/90/98/562959098.db2.gz QKVHWVMYGDISMJ-UHFFFAOYSA-N 0 0 439.580 4.508 50 0 IJAARN CCn1cc2nc(SCc3ccccc3Cl)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000008619197 562959888 /nfs/dbraw/zinc/95/98/88/562959888.db2.gz QVHIXQIKHYVGCW-UHFFFAOYSA-N 0 0 440.956 4.616 50 0 IJAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(C)nn(CC(=O)Nc1ccc(C(C)C)cc1)c2=O ZINC000008619543 562959890 /nfs/dbraw/zinc/95/98/90/562959890.db2.gz LYAMAKRISKTQJH-UHFFFAOYSA-N 0 0 449.942 4.615 50 0 IJAARN Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2cccc3ccccc32)c1C(N)=O ZINC000008683902 562962073 /nfs/dbraw/zinc/96/20/73/562962073.db2.gz CJJWJXLYSJKGPX-UHFFFAOYSA-N 0 0 444.512 4.880 50 0 aggregator IJAARN CC(C)(C)c1ccc(-c2nc3cc(=O)[nH]n3c(SCCCOc3ccccc3)n2)cc1 ZINC000008831165 562964936 /nfs/dbraw/zinc/96/49/36/562964936.db2.gz MCXGXJXLWXJVLF-UHFFFAOYSA-N 0 0 434.565 4.943 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008851947 562965190 /nfs/dbraw/zinc/96/51/90/562965190.db2.gz FRZHZBGIOXDZGL-AWEZNQCLSA-N 0 0 441.553 4.533 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)c1 ZINC000008860241 562965361 /nfs/dbraw/zinc/96/53/61/562965361.db2.gz IMJHIHCAJUDOQK-UHFFFAOYSA-N 0 0 443.572 4.680 50 0 biogenic IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2nc(Cl)ccc2Cl)cs1 ZINC000009646270 562974755 /nfs/dbraw/zinc/97/47/55/562974755.db2.gz MBZNPDOLXUSFEJ-UHFFFAOYSA-N 0 0 436.320 4.692 50 0 IJAARN Cc1noc(C)c1CC(=O)NC[C@H]1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1 ZINC000012079657 562980673 /nfs/dbraw/zinc/98/06/73/562980673.db2.gz ZHBJFLHKBGIXOK-LJQANCHMSA-N 0 0 446.425 4.519 50 0 IJAARN CC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1 ZINC000012709905 562982994 /nfs/dbraw/zinc/98/29/94/562982994.db2.gz UWDYWOUBEGNXCU-UHFFFAOYSA-N 0 0 436.581 4.604 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)NCCSC)sc3n2)cc1 ZINC000013152962 562985483 /nfs/dbraw/zinc/98/54/83/562985483.db2.gz WETZRMDJVYBBJP-UHFFFAOYSA-N 0 0 441.500 4.666 50 0 IJAARN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)c1 ZINC000020193500 563023973 /nfs/dbraw/zinc/02/39/73/563023973.db2.gz ARWLDVFFXYMIPI-DEOSSOPVSA-N 0 0 449.620 4.963 50 0 IJAARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000102803405 568621583 /nfs/dbraw/zinc/62/15/83/568621583.db2.gz IPOAIFQSVOZLRH-ZHZULCJRSA-N 0 0 438.531 4.736 50 0 IJAARN CC(C)(C)OC[C@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982891 568622626 /nfs/dbraw/zinc/62/26/26/568622626.db2.gz YYKWXHIMKIRGAC-NHCUHLMSSA-N 0 0 448.966 4.650 50 0 IJAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc(Cl)c1Cl ZINC000018992480 568631164 /nfs/dbraw/zinc/63/11/64/568631164.db2.gz YQEUTYPYPSRTFY-OAHLLOKOSA-N 0 0 447.299 4.517 50 0 IJAARN CCOC(=O)c1c(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000000911161 568636584 /nfs/dbraw/zinc/63/65/84/568636584.db2.gz WJVOIILPPLAFHJ-INIZCTEOSA-N 0 0 441.808 4.684 50 0 IJAARN COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccncc2)cc1 ZINC000000915305 568636975 /nfs/dbraw/zinc/63/69/75/568636975.db2.gz BXBZIQJARYFVBS-UHFFFAOYSA-N 0 0 442.504 4.680 50 0 IJAARN O=C(CCCc1nc(-c2ccccc2)no1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025146056 568641089 /nfs/dbraw/zinc/64/10/89/568641089.db2.gz DJRNLNPQIPKEAA-RUZDIDTESA-N 0 0 437.503 4.841 50 0 IJAARN CCOc1cc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc(OCC)c1OCC ZINC000000951841 568645547 /nfs/dbraw/zinc/64/55/47/568645547.db2.gz MEJAHSLKPCNJJV-UHFFFAOYSA-N 0 0 438.476 4.697 50 0 IJAARN CC(C)[C@@H](C(=O)O[C@@H]1C(=O)N(C)C(=O)N1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000970420 568647445 /nfs/dbraw/zinc/64/74/45/568647445.db2.gz WNEVEZLPHUGSLH-IEBWSBKVSA-N 0 0 435.307 4.701 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3n2)cc1 ZINC000000970494 568647558 /nfs/dbraw/zinc/64/75/58/568647558.db2.gz UERKXTYLXRJYQT-UHFFFAOYSA-N 0 0 445.832 4.702 50 0 IJAARN CCN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000000981810 568648863 /nfs/dbraw/zinc/64/88/63/568648863.db2.gz YMVTTWHBPPXFGP-ODLFYWEKSA-N 0 0 439.924 4.990 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1 ZINC000000998867 568649634 /nfs/dbraw/zinc/64/96/34/568649634.db2.gz KBOQUVSKBAFJHQ-UHFFFAOYSA-N 0 0 428.444 4.900 50 0 IJAARN Cc1cccc2c1ncn(CCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c2=O ZINC000025285257 568651203 /nfs/dbraw/zinc/65/12/03/568651203.db2.gz ZJTOTIDBQKZJMM-XMMPIXPASA-N 0 0 425.532 4.585 50 0 IJAARN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1O ZINC000001013052 568652016 /nfs/dbraw/zinc/65/20/16/568652016.db2.gz YMKLKGBCRPINEY-RQZCQDPDSA-N 0 0 434.311 4.790 50 0 IJAARN CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 ZINC000001025537 568653127 /nfs/dbraw/zinc/65/31/27/568653127.db2.gz KBGCHKOUMZJVDC-SIKLNZKXSA-N 0 0 430.957 4.631 50 0 IJAARN CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 ZINC000001025542 568653206 /nfs/dbraw/zinc/65/32/06/568653206.db2.gz KBGCHKOUMZJVDC-KNQAVFIVSA-N 0 0 430.957 4.631 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccccc3)cc(C(C)C)c2O)cc1 ZINC000001050203 568654461 /nfs/dbraw/zinc/65/44/61/568654461.db2.gz CGTPDIZEWTVOEN-UHFFFAOYSA-N 0 0 439.533 4.918 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)NCc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001065379 568656110 /nfs/dbraw/zinc/65/61/10/568656110.db2.gz KTOMTICQTNSWHR-UHFFFAOYSA-N 0 0 447.922 4.554 50 0 IJAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)nc21 ZINC000001066479 568656233 /nfs/dbraw/zinc/65/62/33/568656233.db2.gz LPDNPPFATBRTMS-UHFFFAOYSA-N 0 0 434.550 4.901 50 0 IJAARN CCOc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1OCC ZINC000001080155 568656943 /nfs/dbraw/zinc/65/69/43/568656943.db2.gz IFGDFTWAJNCHHO-UHFFFAOYSA-N 0 0 425.535 4.969 50 0 IJAARN COc1ccc(CCN2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2cccc(F)c2)cc1OC ZINC000001080589 568657159 /nfs/dbraw/zinc/65/71/59/568657159.db2.gz MQFIOSFTESMZDR-LOSJGSFVSA-N 0 0 435.495 4.725 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N1NC(C2CCCCC2)=C[C@@]1(O)C(F)(F)F ZINC000001101554 568657994 /nfs/dbraw/zinc/65/79/94/568657994.db2.gz YJJSFZQJDJXLBA-QGZVFWFLSA-N 0 0 439.261 4.792 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000001088142 568658360 /nfs/dbraw/zinc/65/83/60/568658360.db2.gz QMMRCBRSMGMPBW-DLBZAZTESA-N 0 0 437.517 4.961 50 0 IJAARN CCCN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)c(OC)c2)NC1=S ZINC000001106915 568659352 /nfs/dbraw/zinc/65/93/52/568659352.db2.gz AWOBETSMDKEHCK-STZFKDTASA-N 0 0 432.545 4.895 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cs2)cc1OC ZINC000015200214 568732184 /nfs/dbraw/zinc/73/21/84/568732184.db2.gz NYQXWBHAMFAJBI-OAHLLOKOSA-N 0 0 430.526 4.933 50 0 IJAARN CCc1cccc(C)c1N(C(=O)Cn1c(CN2CCCC2)nc2ccccc21)[C@H](C)COC ZINC000082086953 568735295 /nfs/dbraw/zinc/73/52/95/568735295.db2.gz ZYQVCWRAAKFJGU-OAQYLSRUSA-N 0 0 448.611 4.571 50 0 IJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000001904714 568742262 /nfs/dbraw/zinc/74/22/62/568742262.db2.gz UNMZWQQGPOMLGT-ZHZWZMEUSA-N 0 0 429.538 4.719 50 0 IJAARN CCc1ccc(-c2cc(C(=O)NCCCOC)c3cc(Br)ccc3n2)cc1 ZINC000002108278 568742768 /nfs/dbraw/zinc/74/27/68/568742768.db2.gz HPJWWTJUKOSKEY-UHFFFAOYSA-N 0 0 427.342 4.993 50 0 IJAARN Cc1cc(C)c(C(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1C ZINC000012541527 568743896 /nfs/dbraw/zinc/74/38/96/568743896.db2.gz YNWBIONTXSASKZ-UHFFFAOYSA-N 0 0 425.488 4.899 50 0 IJAARN Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)c(C)c1 ZINC000012541667 568743935 /nfs/dbraw/zinc/74/39/35/568743935.db2.gz KZQVDGWJLSONTJ-UHFFFAOYSA-N 0 0 438.574 4.774 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000003303454 568745643 /nfs/dbraw/zinc/74/56/43/568745643.db2.gz GDLOXGBNXLNECR-UHFFFAOYSA-N 0 0 445.972 4.516 50 0 IJAARN CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000044086141 568747373 /nfs/dbraw/zinc/74/73/73/568747373.db2.gz BRPUSKHSMXZCDK-UHFFFAOYSA-N 0 0 430.371 4.919 50 0 IJAARN CNC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 ZINC000044087445 568747564 /nfs/dbraw/zinc/74/75/64/568747564.db2.gz RVYKAPWHPZKFSB-UHFFFAOYSA-N 0 0 436.762 4.793 50 0 IJAARN O=C(CSc1cc(N2CCCCC2)ncn1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000044112030 568748362 /nfs/dbraw/zinc/74/83/62/568748362.db2.gz CJPDOZDZWBFVLL-UHFFFAOYSA-N 0 0 430.883 4.870 50 0 IJAARN O=C(c1cc(Nc2ccc(Br)cc2)c2ccccc2n1)N1CCSCC1 ZINC000044169723 568749129 /nfs/dbraw/zinc/74/91/29/568749129.db2.gz UCCYKYFPXMGYRL-UHFFFAOYSA-N 0 0 428.355 4.930 50 0 IJAARN COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1 ZINC000044213863 568749956 /nfs/dbraw/zinc/74/99/56/568749956.db2.gz NDNRTJYEBKFXCG-OAHLLOKOSA-N 0 0 446.532 4.551 50 0 IJAARN CSc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 ZINC000003636682 568752013 /nfs/dbraw/zinc/75/20/13/568752013.db2.gz WKEGHPPADQSAQE-FOIQADDNSA-N 0 0 438.574 4.801 50 0 IJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000003652828 568752976 /nfs/dbraw/zinc/75/29/76/568752976.db2.gz YBSHLASVSIXTBL-HMAPJEAMSA-N 0 0 446.478 4.896 50 0 IJAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)c1 ZINC000003655709 568753310 /nfs/dbraw/zinc/75/33/10/568753310.db2.gz UUBXVWMZMLRKQA-FQEVSTJZSA-N 0 0 447.516 4.819 50 0 IJAARN CCOC(=O)c1c(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)oc(C)c1C(C)=O ZINC000012615529 568755262 /nfs/dbraw/zinc/75/52/62/568755262.db2.gz UYEJPPXVFPHTJL-XMMPIXPASA-N 0 0 448.519 4.593 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1cc2cc(F)ccc2[nH]1 ZINC000299767386 568756440 /nfs/dbraw/zinc/75/64/40/568756440.db2.gz KLQUZZUHAPOACR-HHHXNRCGSA-N 0 0 443.522 4.748 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](C1=Cc3ccccc3OC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586615 568759311 /nfs/dbraw/zinc/75/93/11/568759311.db2.gz WENQPRCQZOVNLJ-XMMPIXPASA-N 0 0 439.515 4.850 50 0 biogenic IJAARN CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c1=O ZINC000001290111 568777252 /nfs/dbraw/zinc/77/72/52/568777252.db2.gz NNGZHDSQNYRRIU-UHFFFAOYSA-N 0 0 446.411 4.932 50 0 biogenic IJAARN COc1ccc(-c2cc3ccc(OCC(=O)OCc4ccccc4)cc3oc2=O)cc1OC ZINC000001317720 568779445 /nfs/dbraw/zinc/77/94/45/568779445.db2.gz VHOFGAUMVYIYGH-UHFFFAOYSA-N 0 0 446.455 4.599 50 0 IJAARN COC(=O)c1ccccc1SC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000001394099 568785543 /nfs/dbraw/zinc/78/55/43/568785543.db2.gz LUWGBYIMLBXUNS-JTHBVZDNSA-N 0 0 433.529 4.978 50 0 IJAARN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(C)c1CS(=O)(=O)c1ccccc1 ZINC000001400589 568786297 /nfs/dbraw/zinc/78/62/97/568786297.db2.gz CGDTWAYEHDXKMC-UHFFFAOYSA-N 0 0 429.851 4.530 50 0 IJAARN COc1ccc([C@@H]2CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)C2)cc1 ZINC000083943973 568786438 /nfs/dbraw/zinc/78/64/38/568786438.db2.gz JEXYKSNKTBDUGT-OAQYLSRUSA-N 0 0 448.588 4.890 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F ZINC000001404994 568786858 /nfs/dbraw/zinc/78/68/58/568786858.db2.gz CSDUCSPVUSCRQJ-UHFFFAOYSA-N 0 0 427.304 4.522 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1C ZINC000019192005 568791790 /nfs/dbraw/zinc/79/17/90/568791790.db2.gz ZBQFIOMSDUFHRY-UHFFFAOYSA-N 0 0 439.924 4.809 50 0 IJAARN O=C(COc1ccc(Oc2ncc(Cl)cc2Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000001425681 568793758 /nfs/dbraw/zinc/79/37/58/568793758.db2.gz APOPPAWXOJRNHV-UHFFFAOYSA-N 0 0 447.274 4.969 50 0 IJAARN Cc1cc(-c2noc(COc3ccc(I)cc3)n2)c2ccccc2n1 ZINC000001426803 568793939 /nfs/dbraw/zinc/79/39/39/568793939.db2.gz UYGLRHJBSBSBLW-UHFFFAOYSA-N 0 0 443.244 4.777 50 0 IJAARN CC(C)c1noc(CCCC(=O)NCCN(C(=O)OC(C)(C)C)C2CCCCCC2)n1 ZINC000084631112 568799381 /nfs/dbraw/zinc/79/93/81/568799381.db2.gz HVKDXVZEAHEOSN-UHFFFAOYSA-N 0 0 436.597 4.592 50 0 IJAARN Cc1ccc2c(c1)N(CCCC(=O)NCc1ccccc1Cl)C(=O)c1cccnc1O2 ZINC000015680050 568805912 /nfs/dbraw/zinc/80/59/12/568805912.db2.gz SREAJODQUZQRGP-UHFFFAOYSA-N 0 0 435.911 4.893 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000015680809 568806276 /nfs/dbraw/zinc/80/62/76/568806276.db2.gz MXMLROBQLVJRGD-UHFFFAOYSA-N 0 0 448.544 4.571 50 0 IJAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032493221 568811472 /nfs/dbraw/zinc/81/14/72/568811472.db2.gz OXZYEANTTLSPJM-SFHVURJKSA-N 0 0 448.523 4.693 50 0 IJAARN COc1ccc2oc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 ZINC000004319111 568812753 /nfs/dbraw/zinc/81/27/53/568812753.db2.gz GFCLKSOWNBYTGZ-SBNSQYLKSA-N 0 0 425.525 4.628 50 0 IJAARN Cc1cccc(-c2nc(SCc3cc(=O)n4nc(C5CCCCC5)sc4n3)n[nH]2)c1 ZINC000015731924 568815110 /nfs/dbraw/zinc/81/51/10/568815110.db2.gz FEOHJWVNTWFSTE-UHFFFAOYSA-N 0 0 438.582 4.585 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000015731977 568815119 /nfs/dbraw/zinc/81/51/19/568815119.db2.gz JXPYNNZOWAZQPX-UHFFFAOYSA-N 0 0 448.573 4.881 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000015733136 568815726 /nfs/dbraw/zinc/81/57/26/568815726.db2.gz FSIUGIMHYAUCNO-UHFFFAOYSA-N 0 0 427.504 4.978 50 0 IJAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)c1 ZINC000001448043 568817481 /nfs/dbraw/zinc/81/74/81/568817481.db2.gz RHWBPFQTVRFPQH-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c2c1OCO2 ZINC000085412400 568818429 /nfs/dbraw/zinc/81/84/29/568818429.db2.gz VLVLMJJTAUIGHF-FQEVSTJZSA-N 0 0 445.541 4.704 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1OC ZINC000015777011 568823625 /nfs/dbraw/zinc/82/36/25/568823625.db2.gz SJMGQRVKOYGICH-UHFFFAOYSA-N 0 0 436.552 4.775 50 0 IJAARN CCN(CCC[NH2+]Cc1c(C)n(Cc2ccc(OC)cc2)c(C)c1C(=O)[O-])c1ccccc1 ZINC000015777189 568823832 /nfs/dbraw/zinc/82/38/32/568823832.db2.gz LAXFJIHUHPBPCK-UHFFFAOYSA-N 0 0 449.595 4.866 50 0 IJAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2Cl)c2cccs2)ccc1F ZINC000015780975 568825207 /nfs/dbraw/zinc/82/52/07/568825207.db2.gz YNXJESBCEMJXMM-LJQANCHMSA-N 0 0 437.945 4.794 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)cc1 ZINC000015783475 568826743 /nfs/dbraw/zinc/82/67/43/568826743.db2.gz FFQVCUZIAUWFCL-JOCHJYFZSA-N 0 0 440.528 4.698 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2nc3ccccc3c(Nc3cccc(C)c3)n2)c1 ZINC000015784187 568826746 /nfs/dbraw/zinc/82/67/46/568826746.db2.gz KHVMIODQPSXSSP-UHFFFAOYSA-N 0 0 428.492 4.629 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000085644566 568829521 /nfs/dbraw/zinc/82/95/21/568829521.db2.gz VIJYJPDEPGSXQM-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c(OC)c1 ZINC000085649911 568831319 /nfs/dbraw/zinc/83/13/19/568831319.db2.gz IKCPTWCCAOFQTH-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000085651520 568831467 /nfs/dbraw/zinc/83/14/67/568831467.db2.gz CYEKPZSBXJBTOV-UHFFFAOYSA-N 0 0 429.398 4.900 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccccc2C)c1C ZINC000085711241 568835016 /nfs/dbraw/zinc/83/50/16/568835016.db2.gz ZSCSNLBMJRGUHE-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2C)c1C ZINC000085712630 568835556 /nfs/dbraw/zinc/83/55/56/568835556.db2.gz TZPXKVWQFBCAQY-UHFFFAOYSA-N 0 0 440.565 4.508 50 0 IJAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SC[C@H]2CCCCO2)CCCC4)cc1 ZINC000001049825 568836458 /nfs/dbraw/zinc/83/64/58/568836458.db2.gz NXDSXUNKCSWESO-QGZVFWFLSA-N 0 0 442.606 4.996 50 0 IJAARN COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccc(C)o3)c3ccc(OC)c(OC)c3)c21 ZINC000085876161 568837941 /nfs/dbraw/zinc/83/79/41/568837941.db2.gz ALEGXWGNSXWWEI-IBGZPJMESA-N 0 0 448.519 4.934 50 0 biogenic IJAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C=CN(S(C)(=O)=O)C=C[C@H]12 ZINC000254876073 568843969 /nfs/dbraw/zinc/84/39/69/568843969.db2.gz PERYMQRKZWVYHA-ZEZQGNGESA-N 0 0 431.557 4.741 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000015859764 568847891 /nfs/dbraw/zinc/84/78/91/568847891.db2.gz CKAPTPVSRWWQIR-HSZRJFAPSA-N 0 0 432.549 4.607 50 0 IJAARN CCc1ccc2[nH]c(CSc3nnc(COc4cccc(C)c4)n3CC)cc(=O)c2c1 ZINC000015865356 568850137 /nfs/dbraw/zinc/85/01/37/568850137.db2.gz XEADSRDASWVVDI-UHFFFAOYSA-N 0 0 434.565 4.882 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)n2C)c1 ZINC000015865343 568850163 /nfs/dbraw/zinc/85/01/63/568850163.db2.gz LXYJGWVOBBDUTI-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)o3)no2)cc1Cl ZINC000015867207 568850755 /nfs/dbraw/zinc/85/07/55/568850755.db2.gz CUTBCBMZVSXYRO-UHFFFAOYSA-N 0 0 445.888 4.538 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4c(C)cccc4C)nc3n2)cc1 ZINC000015868177 568851141 /nfs/dbraw/zinc/85/11/41/568851141.db2.gz ANUXJCVBVDEMBN-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026121182 568852274 /nfs/dbraw/zinc/85/22/74/568852274.db2.gz ZVZKAGDLGIEJRH-UHFFFAOYSA-N 0 0 426.948 4.713 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cs2)c1 ZINC000015881034 568854440 /nfs/dbraw/zinc/85/44/40/568854440.db2.gz AZIVEFPASFKAEX-UHFFFAOYSA-N 0 0 439.537 4.717 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 ZINC000015922061 568858745 /nfs/dbraw/zinc/85/87/45/568858745.db2.gz SOJFRDFHQKUHEE-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575414553 568862238 /nfs/dbraw/zinc/86/22/38/568862238.db2.gz BGABKZKAECWMMH-NRFANRHFSA-N 0 0 445.537 4.682 50 0 IJAARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000016053453 568869557 /nfs/dbraw/zinc/86/95/57/568869557.db2.gz HXVXLHVXWDMZHW-CQSZACIVSA-N 0 0 429.394 4.867 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1c(C)c2ccc(C)cc2oc1=O ZINC000016233650 568874233 /nfs/dbraw/zinc/87/42/33/568874233.db2.gz HWZLLIKCDQUUIZ-UHFFFAOYSA-N 0 0 443.547 4.804 50 0 IJAARN CCCCOc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1OC ZINC000016262004 568875050 /nfs/dbraw/zinc/87/50/50/568875050.db2.gz LLQSWAIPUZIVPG-NRFANRHFSA-N 0 0 427.932 4.780 50 0 IJAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619987 568882988 /nfs/dbraw/zinc/88/29/88/568882988.db2.gz OCYYOKAAHUEZFZ-UHFFFAOYSA-N 0 0 435.471 4.847 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)Cc3csc4ccccc34)n(C)n2)c1 ZINC000575622442 568883208 /nfs/dbraw/zinc/88/32/08/568883208.db2.gz YURVSJNSMTXUDT-HNNXBMFYSA-N 0 0 435.549 4.680 50 0 IJAARN O=C(c1ccccc1)N1CCCC[C@@H](Sc2ncnc3sc4c(c32)CCCC4)C1=O ZINC000009434070 568883430 /nfs/dbraw/zinc/88/34/30/568883430.db2.gz CIJKIYXJCHCXMJ-GOSISDBHSA-N 0 0 437.590 4.884 50 0 IJAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000037341892 568884779 /nfs/dbraw/zinc/88/47/79/568884779.db2.gz YIFRRYWRNYMEPK-MOFZMDFASA-N 0 0 439.380 4.615 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3sc(-c4cccs4)nc3C)[nH]n2)c1 ZINC000090592715 568888698 /nfs/dbraw/zinc/88/86/98/568888698.db2.gz MCJBSEHFZKVEMZ-UHFFFAOYSA-N 0 0 440.550 4.517 50 0 IJAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012979287 568891770 /nfs/dbraw/zinc/89/17/70/568891770.db2.gz BVORZLQQVRYHDJ-UHFFFAOYSA-N 0 0 447.351 4.743 50 0 IJAARN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)NC2=S)cc1 ZINC000006405220 568893574 /nfs/dbraw/zinc/89/35/74/568893574.db2.gz KMMHQQDPXZHIFG-HZHRSRAPSA-N 0 0 439.540 4.960 50 0 IJAARN O=C(CCSc1ccccc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013002727 568898457 /nfs/dbraw/zinc/89/84/57/568898457.db2.gz JLONISAKENNXNH-UHFFFAOYSA-N 0 0 447.535 4.773 50 0 IJAARN Cc1c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)sc2nc(C)nc(C)c12 ZINC000013011970 568900988 /nfs/dbraw/zinc/90/09/88/568900988.db2.gz VUIWJFPFSAMOQH-UHFFFAOYSA-N 0 0 448.514 4.593 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1ccc(C)cc1 ZINC000013022894 568902469 /nfs/dbraw/zinc/90/24/69/568902469.db2.gz KSINPZJWVPQLKK-QHCPKHFHSA-N 0 0 430.508 4.845 50 0 IJAARN Cc1c(C(=O)N2CCOCC2)c(NC(=O)c2ccc(Cl)o2)sc1-c1ccccc1 ZINC000013023003 568902537 /nfs/dbraw/zinc/90/25/37/568902537.db2.gz NPEHSVGMZXEPKQ-UHFFFAOYSA-N 0 0 430.913 4.695 50 0 IJAARN O=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000225649290 568904640 /nfs/dbraw/zinc/90/46/40/568904640.db2.gz YNFSZERTEXQAGO-UHFFFAOYSA-N 0 0 432.876 4.961 50 0 IJAARN CCCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784726 568907379 /nfs/dbraw/zinc/90/73/79/568907379.db2.gz VXMPIKVBOIMHQI-INIZCTEOSA-N 0 0 441.553 4.540 50 0 IJAARN COc1ccc(-c2ccc(CCC(=O)N[C@@H](c3nccn3C)c3ccc(OC)cc3)o2)cc1 ZINC000016476769 568908874 /nfs/dbraw/zinc/90/88/74/568908874.db2.gz XKQVEMLXYWQKOD-RUZDIDTESA-N 0 0 445.519 4.536 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000238901778 568910310 /nfs/dbraw/zinc/91/03/10/568910310.db2.gz MPNFCRMMSSJXAV-QHAWAJNXSA-N 0 0 438.405 4.757 50 0 IJAARN O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@H]2CCCC[C@H]21 ZINC000242339120 568912733 /nfs/dbraw/zinc/91/27/33/568912733.db2.gz ZFBPURINRJYPBM-YSGRDPCXSA-N 0 0 438.399 4.578 50 0 IJAARN Cc1noc(C)c1C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252467482 568922938 /nfs/dbraw/zinc/92/29/38/568922938.db2.gz NZEDKSOGLMCSNX-UHFFFAOYSA-N 0 0 445.397 4.534 50 0 IJAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000001962756 568923924 /nfs/dbraw/zinc/92/39/24/568923924.db2.gz RGEAOFSPCFTSSS-XBXARRHUSA-N 0 0 443.805 4.571 50 0 IJAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1Cl ZINC000001961450 568924081 /nfs/dbraw/zinc/92/40/81/568924081.db2.gz DIVWJZQZFBGCDK-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN COc1cccc(NC(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064450112 568928969 /nfs/dbraw/zinc/92/89/69/568928969.db2.gz FVHFKPOMVKIGJK-UHFFFAOYSA-N 0 0 449.942 4.894 50 0 IJAARN O=C(NCc1ccccc1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450128 568929084 /nfs/dbraw/zinc/92/90/84/568929084.db2.gz PHLHYIRTPNUXMG-UHFFFAOYSA-N 0 0 433.943 4.563 50 0 IJAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)C(C)C)cc1 ZINC000016650263 568929442 /nfs/dbraw/zinc/92/94/42/568929442.db2.gz WDDXURINDPHJOR-UHFFFAOYSA-N 0 0 434.536 4.676 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2)C1 ZINC000064452488 568929454 /nfs/dbraw/zinc/92/94/54/568929454.db2.gz CESPADWUMJBMTP-LJQANCHMSA-N 0 0 436.943 4.764 50 0 IJAARN Cc1cccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1C ZINC000064473131 568930372 /nfs/dbraw/zinc/93/03/72/568930372.db2.gz NVQFJZNOKURZBO-UHFFFAOYSA-N 0 0 431.515 4.988 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1 ZINC000064565927 568932667 /nfs/dbraw/zinc/93/26/67/568932667.db2.gz DSQVZPYPAILUFV-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1Cl ZINC000064565980 568932804 /nfs/dbraw/zinc/93/28/04/568932804.db2.gz BKQCLLCYHSTRKZ-UHFFFAOYSA-N 0 0 428.895 4.690 50 0 IJAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc1 ZINC000064568485 568933691 /nfs/dbraw/zinc/93/36/91/568933691.db2.gz CODUUHGSPOLOEC-UHFFFAOYSA-N 0 0 433.508 4.790 50 0 IJAARN O=c1c2ccc(OCCN3CCN(c4ccccc4F)CC3)cc2occ1-c1ccccc1 ZINC000054307066 568937287 /nfs/dbraw/zinc/93/72/87/568937287.db2.gz KRCSYIUUHSUYPL-UHFFFAOYSA-N 0 0 444.506 4.800 50 0 IJAARN Cc1nc(CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@@H](C)c2ccc(Cl)cc2)oc1C ZINC000089558265 568937297 /nfs/dbraw/zinc/93/72/97/568937297.db2.gz PFUJMBXTPUXLHG-BULFRSBZSA-N 0 0 445.991 4.678 50 0 IJAARN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000089568189 568937686 /nfs/dbraw/zinc/93/76/86/568937686.db2.gz XLBIQIUZPRIUIM-UHFFFAOYSA-N 0 0 436.265 4.573 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000064605370 568939655 /nfs/dbraw/zinc/93/96/55/568939655.db2.gz XJAYSRDYIQSPKU-IBGZPJMESA-N 0 0 446.551 4.630 50 0 IJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4c5ccccc5C[C@H]4C)c3)n2)cc1 ZINC000064610932 568940010 /nfs/dbraw/zinc/94/00/10/568940010.db2.gz VWNXNWKJYXBXDL-QGZVFWFLSA-N 0 0 431.517 4.852 50 0 IJAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656564 568942147 /nfs/dbraw/zinc/94/21/47/568942147.db2.gz VRVWAGUDFNTBNM-SFHVURJKSA-N 0 0 427.547 4.842 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2Cl)cc1 ZINC000064656920 568942320 /nfs/dbraw/zinc/94/23/20/568942320.db2.gz CWNFJSHDXWCNTR-HNNXBMFYSA-N 0 0 433.938 4.717 50 0 IJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3cccc(C)c3)csc21 ZINC000064656991 568942357 /nfs/dbraw/zinc/94/23/57/568942357.db2.gz NWSUXUVBTZCEOC-QGZVFWFLSA-N 0 0 427.547 4.762 50 0 IJAARN CCOc1cc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)ccc1OC ZINC000064664883 568942667 /nfs/dbraw/zinc/94/26/67/568942667.db2.gz OUQVCWWSGZHZCW-UHFFFAOYSA-N 0 0 429.520 4.730 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OC ZINC000064664885 568942784 /nfs/dbraw/zinc/94/27/84/568942784.db2.gz DEKNMBGODAUCDA-UHFFFAOYSA-N 0 0 429.520 4.730 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC(C)C)CC1 ZINC000064667941 568942922 /nfs/dbraw/zinc/94/29/22/568942922.db2.gz LGNANYXAWBCTRI-UHFFFAOYSA-N 0 0 427.614 4.832 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1ccc(Cl)cc1F ZINC000064667538 568942978 /nfs/dbraw/zinc/94/29/78/568942978.db2.gz SUBLFOOXUNSLTF-UHFFFAOYSA-N 0 0 431.851 4.695 50 0 IJAARN Cc1c(S(=O)(=O)N2CCCCCC2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668137 568943050 /nfs/dbraw/zinc/94/30/50/568943050.db2.gz QMMXSTDVCHYMLC-UHFFFAOYSA-N 0 0 433.574 4.828 50 0 IJAARN Cc1ccccc1-c1csc(-c2nnn(-c3ccc(Br)cc3F)c2N)n1 ZINC000064664559 568943839 /nfs/dbraw/zinc/94/38/39/568943839.db2.gz FGHAPJRUZVIVGM-UHFFFAOYSA-N 0 0 430.306 4.850 50 0 IJAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NCc1ccccc1 ZINC000064676321 568943893 /nfs/dbraw/zinc/94/38/93/568943893.db2.gz HBCNGUVEPBBXPC-UHFFFAOYSA-N 0 0 426.339 4.684 50 0 IJAARN Cc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCCC3)co2)cc1 ZINC000036063972 568944891 /nfs/dbraw/zinc/94/48/91/568944891.db2.gz YAJJETIPSGWQHK-UHFFFAOYSA-N 0 0 442.563 4.945 50 0 IJAARN Cc1ccc(N2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)c(C)c1 ZINC000064728524 568945667 /nfs/dbraw/zinc/94/56/67/568945667.db2.gz RPMUYFJTJXTTAU-UHFFFAOYSA-N 0 0 438.579 4.614 50 0 IJAARN COc1ccc(CN(Cc2nc(C(=O)NC(C)C)co2)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000036073322 568945891 /nfs/dbraw/zinc/94/58/91/568945891.db2.gz KPLVRWQKQVMRNN-SFHVURJKSA-N 0 0 437.540 4.593 50 0 IJAARN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(Cc4ccccc4)CC3)nn21 ZINC000064746795 568949582 /nfs/dbraw/zinc/94/95/82/568949582.db2.gz BANRAHOBRXVMJL-UHFFFAOYSA-N 0 0 446.624 4.990 50 0 IJAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000064747398 568949943 /nfs/dbraw/zinc/94/99/43/568949943.db2.gz BAMMJQXMIZCNLO-QGZVFWFLSA-N 0 0 428.876 4.776 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)NCCC1=CCCCC1 ZINC000064746973 568950283 /nfs/dbraw/zinc/95/02/83/568950283.db2.gz IRVZTSMQCDONTP-UHFFFAOYSA-N 0 0 444.560 4.680 50 0 IJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2cccc(Br)c2)n1 ZINC000064748039 568950549 /nfs/dbraw/zinc/95/05/49/568950549.db2.gz GTDQGKORHAGCAV-UHFFFAOYSA-N 0 0 440.341 4.830 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1NC(=O)C1CC1 ZINC000064757011 568951419 /nfs/dbraw/zinc/95/14/19/568951419.db2.gz VUMKXAMHJOHGRB-UHFFFAOYSA-N 0 0 442.563 4.624 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)N3CCN(c4cccc(C)c4C)CC3)C2)cc1 ZINC000064757358 568951628 /nfs/dbraw/zinc/95/16/28/568951628.db2.gz ZTXWFASLQORWCW-QHCPKHFHSA-N 0 0 448.611 4.595 50 0 IJAARN Cc1cc(C)cc(OCc2nc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)cs2)c1 ZINC000036105357 568952868 /nfs/dbraw/zinc/95/28/68/568952868.db2.gz ZTCFOVQZZXRENL-UHFFFAOYSA-N 0 0 436.533 4.872 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(F)cc1 ZINC000036105439 568953212 /nfs/dbraw/zinc/95/32/12/568953212.db2.gz HVRIALYJGJYIDZ-UHFFFAOYSA-N 0 0 434.920 4.803 50 0 IJAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036106277 568953713 /nfs/dbraw/zinc/95/37/13/568953713.db2.gz MTZKXUGZAPUKQA-UHFFFAOYSA-N 0 0 426.538 4.792 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)CC(C)C ZINC000036118559 568955957 /nfs/dbraw/zinc/95/59/57/568955957.db2.gz OZMSRBOIEKSVOG-NRFANRHFSA-N 0 0 442.625 4.764 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119463 568956119 /nfs/dbraw/zinc/95/61/19/568956119.db2.gz UNYGCIXQTLGJQK-SIKLNZKXSA-N 0 0 442.625 4.926 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CCCC1 ZINC000036119582 568956816 /nfs/dbraw/zinc/95/68/16/568956816.db2.gz QGOKDKQLLXRFIK-JOCHJYFZSA-N 0 0 440.609 4.682 50 0 IJAARN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119707 568956820 /nfs/dbraw/zinc/95/68/20/568956820.db2.gz JDTTUASXHILUDR-JOCHJYFZSA-N 0 0 440.609 4.538 50 0 IJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)CC(C)C)C2CC2)cc1 ZINC000036119951 568957012 /nfs/dbraw/zinc/95/70/12/568957012.db2.gz ORDAMJHYZULSRV-JOCHJYFZSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)c3cccc(F)c3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791275 568957285 /nfs/dbraw/zinc/95/72/85/568957285.db2.gz VLVOSTLLKIUWQV-UHFFFAOYSA-N 0 0 440.438 4.597 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F ZINC000036120716 568957508 /nfs/dbraw/zinc/95/75/08/568957508.db2.gz JODYAELTEIWUCH-HXUWFJFHSA-N 0 0 446.588 4.677 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121424 568957801 /nfs/dbraw/zinc/95/78/01/568957801.db2.gz NUOWJRUUGXANCY-LAUBAEHRSA-N 0 0 446.588 4.675 50 0 IJAARN Cc1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2C[C@@H]2CCCO2)c1 ZINC000064794608 568960097 /nfs/dbraw/zinc/96/00/97/568960097.db2.gz PWEJIGMQCOQCHS-INIZCTEOSA-N 0 0 437.594 4.917 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2cccc(F)c2)n1C[C@@H]1CCCO1 ZINC000064794628 568960106 /nfs/dbraw/zinc/96/01/06/568960106.db2.gz WDCRGIJCGNMXNH-HNNXBMFYSA-N 0 0 441.557 4.747 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)n2)cc1 ZINC000064800285 568961276 /nfs/dbraw/zinc/96/12/76/568961276.db2.gz UCCMZZMFICTLFR-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN COC(=O)C[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1)c1cccc(F)c1 ZINC000036148410 568962723 /nfs/dbraw/zinc/96/27/23/568962723.db2.gz ZWHOCWBKIZUKFK-LAMXGVLKSA-N 0 0 436.527 4.820 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)c2ccccc2F)C1=O ZINC000036152613 568963676 /nfs/dbraw/zinc/96/36/76/568963676.db2.gz SDXPAYGXJLXBQZ-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN CC(C)(C)NC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1c1cccc(Cl)c1 ZINC000064815853 568963722 /nfs/dbraw/zinc/96/37/22/568963722.db2.gz VUEVONHGVDFYIW-JOCHJYFZSA-N 0 0 442.972 4.599 50 0 IJAARN Cc1cccc(NC(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000036151333 568963983 /nfs/dbraw/zinc/96/39/83/568963983.db2.gz VPYNJLPSYBMRMW-VWLOTQADSA-N 0 0 429.545 4.976 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817248 568964403 /nfs/dbraw/zinc/96/44/03/568964403.db2.gz QICILNGAYAPQPT-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000036164559 568967987 /nfs/dbraw/zinc/96/79/87/568967987.db2.gz IDDGBJXCNFZNAJ-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccccc1F ZINC000036164695 568967989 /nfs/dbraw/zinc/96/79/89/568967989.db2.gz SEFBCPZUDPELPV-HSZRJFAPSA-N 0 0 438.549 4.784 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@@]12c1cc(F)ccc1N(Cc1ccccc1)C2=O ZINC000036165212 568968135 /nfs/dbraw/zinc/96/81/35/568968135.db2.gz OICHQUFVQGHMMX-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036165051 568968198 /nfs/dbraw/zinc/96/81/98/568968198.db2.gz KFAHGDYNRWFYNC-HSZRJFAPSA-N 0 0 428.985 4.970 50 0 IJAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842435 568970790 /nfs/dbraw/zinc/97/07/90/568970790.db2.gz VWNWGNAJDJCPEU-IBGZPJMESA-N 0 0 446.507 4.575 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064848081 568971300 /nfs/dbraw/zinc/97/13/00/568971300.db2.gz JIBSWBZKXIORPQ-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN O=S(=O)(c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848101 568971308 /nfs/dbraw/zinc/97/13/08/568971308.db2.gz QHTXUGSZOLXRQU-UHFFFAOYSA-N 0 0 448.375 4.890 50 0 biogenic IJAARN COC(=O)CC1=CC(SCC(=O)Nc2cccc(C)c2Cl)=Nc2ccccc2N1 ZINC000064869511 568976235 /nfs/dbraw/zinc/97/62/35/568976235.db2.gz YUTUVIYJPBBJAF-UHFFFAOYSA-N 0 0 429.929 4.923 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064872856 568978100 /nfs/dbraw/zinc/97/81/00/568978100.db2.gz OZKBKRVVXIQHFR-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4cc(C)ccc4C)cc3)n2)c1 ZINC000064873225 568978278 /nfs/dbraw/zinc/97/82/78/568978278.db2.gz ADPDSFYSUFBWII-UHFFFAOYSA-N 0 0 439.515 4.989 50 0 IJAARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2Cl)cc1OC ZINC000036247606 568982222 /nfs/dbraw/zinc/98/22/22/568982222.db2.gz JFYNRVCZXOAUJU-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000036247746 568982420 /nfs/dbraw/zinc/98/24/20/568982420.db2.gz RIPLSBAMARQLBO-INIZCTEOSA-N 0 0 445.512 4.808 50 0 IJAARN Cc1c(C(=O)N(C)Cc2ccccc2)n(Cc2cccc(C)c2)c(C)c1N1CCOCC1 ZINC000006774340 568983386 /nfs/dbraw/zinc/98/33/86/568983386.db2.gz RWQOGMNCBDXFPA-UHFFFAOYSA-N 0 0 431.580 4.570 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000064919375 568985269 /nfs/dbraw/zinc/98/52/69/568985269.db2.gz FISABPVDYOTNOP-UHFFFAOYSA-N 0 0 430.439 4.502 50 0 IJAARN Cc1cccc(C(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000064930183 568987928 /nfs/dbraw/zinc/98/79/28/568987928.db2.gz HUMUKCMYXZAERV-KRWDZBQOSA-N 0 0 426.929 4.730 50 0 IJAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930199 568987965 /nfs/dbraw/zinc/98/79/65/568987965.db2.gz PMOPYBLVJZYYGJ-SFHVURJKSA-N 0 0 440.956 4.740 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064930516 568988885 /nfs/dbraw/zinc/98/88/85/568988885.db2.gz XCWGVIIUAUAJLZ-QGZVFWFLSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930505 568988902 /nfs/dbraw/zinc/98/89/02/568988902.db2.gz SMZHXKNFTUDAIA-INIZCTEOSA-N 0 0 445.907 4.952 50 0 IJAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ccccc2F)CC1 ZINC000169681406 568992236 /nfs/dbraw/zinc/99/22/36/568992236.db2.gz MFJWJRCCKZCIDI-IBGZPJMESA-N 0 0 439.575 4.665 50 0 IJAARN CSc1cccc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)c1 ZINC000064944017 568993246 /nfs/dbraw/zinc/99/32/46/568993246.db2.gz JNSUIAVCZHNICC-UHFFFAOYSA-N 0 0 431.612 4.529 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C[C@H](O)C(C)C ZINC000036302875 568993638 /nfs/dbraw/zinc/99/36/38/568993638.db2.gz YRVRHRSTQAUIPK-VWLOTQADSA-N 0 0 437.584 4.692 50 0 IJAARN COc1cccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)c1 ZINC000064949715 568995435 /nfs/dbraw/zinc/99/54/35/568995435.db2.gz NQWXFBHUQXSORF-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(OC)cc1 ZINC000036312372 568997613 /nfs/dbraw/zinc/99/76/13/568997613.db2.gz OKWVSVJLYGTSMK-UHFFFAOYSA-N 0 0 449.551 4.629 50 0 IJAARN Cc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)CC2CC2)cc1 ZINC000036314375 568998300 /nfs/dbraw/zinc/99/83/00/568998300.db2.gz LOABHXZWKBCKJT-UHFFFAOYSA-N 0 0 445.563 4.847 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000036311647 568998392 /nfs/dbraw/zinc/99/83/92/568998392.db2.gz WDSYKZCFEDAQKB-QFIPXVFZSA-N 0 0 432.008 4.562 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000036311646 568998412 /nfs/dbraw/zinc/99/84/12/568998412.db2.gz WDSYKZCFEDAQKB-JOCHJYFZSA-N 0 0 432.008 4.562 50 0 IJAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(Cl)ccc4C)c(=O)[nH]c3C2)cc1 ZINC000064959346 568999651 /nfs/dbraw/zinc/99/96/51/568999651.db2.gz JXZPTTMNUUYVQY-HNNXBMFYSA-N 0 0 436.895 4.510 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1C ZINC000064967544 569001141 /nfs/dbraw/zinc/00/11/41/569001141.db2.gz UWQUZVDKDGQATQ-UHFFFAOYSA-N 0 0 439.878 4.951 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970941 569076379 /nfs/dbraw/zinc/07/63/79/569076379.db2.gz DOHRXXUWDSCTQI-OAQYLSRUSA-N 0 0 443.551 4.660 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3cccs3)cc2=O)s1 ZINC000064976815 569077239 /nfs/dbraw/zinc/07/72/39/569077239.db2.gz XULHASWNQCKDOQ-UHFFFAOYSA-N 0 0 431.926 4.611 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000064976864 569077296 /nfs/dbraw/zinc/07/72/96/569077296.db2.gz ALSUCRNMSKJQGS-UHFFFAOYSA-N 0 0 449.532 4.603 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036341368 569079326 /nfs/dbraw/zinc/07/93/26/569079326.db2.gz NRJURFZFJRYGGX-RUZDIDTESA-N 0 0 443.522 4.570 50 0 IJAARN CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344007 569080036 /nfs/dbraw/zinc/08/00/36/569080036.db2.gz ZBWTWBUQXQSWDJ-HSZRJFAPSA-N 0 0 425.960 4.902 50 0 IJAARN COc1ccccc1OCCSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1 ZINC000064987155 569082564 /nfs/dbraw/zinc/08/25/64/569082564.db2.gz RMFMUXJHICFJSD-UHFFFAOYSA-N 0 0 439.537 4.621 50 0 IJAARN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)o2)cc1 ZINC000064987815 569082594 /nfs/dbraw/zinc/08/25/94/569082594.db2.gz DNQMMYITLCWFDX-UHFFFAOYSA-N 0 0 447.944 4.630 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988933 569082922 /nfs/dbraw/zinc/08/29/22/569082922.db2.gz LLZNUXHBCLPBAD-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN O=C(CSc1ccccc1)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000064989684 569083054 /nfs/dbraw/zinc/08/30/54/569083054.db2.gz UTHGMRLXHKFDMR-UHFFFAOYSA-N 0 0 436.964 4.951 50 0 IJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)c1c(F)cccc1F ZINC000064989677 569083063 /nfs/dbraw/zinc/08/30/63/569083063.db2.gz HIXPTOUAQSYLGD-UHFFFAOYSA-N 0 0 426.850 4.751 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(Br)cc2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000036353715 569084013 /nfs/dbraw/zinc/08/40/13/569084013.db2.gz SETXQVPJIYAGLK-KRWDZBQOSA-N 0 0 425.282 4.623 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)N3CCCc4ccccc43)c2C1 ZINC000065000078 569085788 /nfs/dbraw/zinc/08/57/88/569085788.db2.gz WOAKXJJRDKSSEO-UHFFFAOYSA-N 0 0 444.506 4.725 50 0 IJAARN CCc1cccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000180 569085949 /nfs/dbraw/zinc/08/59/49/569085949.db2.gz NYHNFDGDDKPNOP-UHFFFAOYSA-N 0 0 432.495 4.946 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)N(C)Cc2ccco2)CC1 ZINC000065006713 569087436 /nfs/dbraw/zinc/08/74/36/569087436.db2.gz WTGPETNSIAONEV-UHFFFAOYSA-N 0 0 437.565 4.612 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000065006742 569087515 /nfs/dbraw/zinc/08/75/15/569087515.db2.gz ZEERGMDPLYFERY-MRXNPFEDSA-N 0 0 437.565 4.516 50 0 IJAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc21 ZINC000065021089 569088696 /nfs/dbraw/zinc/08/86/96/569088696.db2.gz ACYOOLYOPXMAGL-UHFFFAOYSA-N 0 0 440.487 4.786 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023547 569089314 /nfs/dbraw/zinc/08/93/14/569089314.db2.gz VHMGQMHBXKFRHL-IBGZPJMESA-N 0 0 436.556 4.537 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023555 569089368 /nfs/dbraw/zinc/08/93/68/569089368.db2.gz QINUUXFHSOSVQA-OAQYLSRUSA-N 0 0 448.542 4.604 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1 ZINC000065023823 569089474 /nfs/dbraw/zinc/08/94/74/569089474.db2.gz XSRBKIFDZTWSKA-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1 ZINC000065027140 569090163 /nfs/dbraw/zinc/09/01/63/569090163.db2.gz ATLCREHIGXCUJO-UHFFFAOYSA-N 0 0 433.508 4.877 50 0 IJAARN COc1cccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)c1 ZINC000065025074 569090415 /nfs/dbraw/zinc/09/04/15/569090415.db2.gz DGSFMLXNMDDWCQ-UHFFFAOYSA-N 0 0 430.508 4.695 50 0 IJAARN COc1cc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc(OC)c1OC ZINC000065034410 569092022 /nfs/dbraw/zinc/09/20/22/569092022.db2.gz HSKGNYYIXDXZTM-UHFFFAOYSA-N 0 0 435.524 4.812 50 0 IJAARN CC(C)c1ccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000065034989 569092509 /nfs/dbraw/zinc/09/25/09/569092509.db2.gz NMUFQLYOCSPOBT-UHFFFAOYSA-N 0 0 427.907 4.853 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)cc1OC ZINC000169754696 569093807 /nfs/dbraw/zinc/09/38/07/569093807.db2.gz OEDAXMBFQDRSBU-INIZCTEOSA-N 0 0 431.851 4.524 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062152 569097006 /nfs/dbraw/zinc/09/70/06/569097006.db2.gz CEMUNGGJKLFXCP-HNNXBMFYSA-N 0 0 441.018 4.694 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766135 569097077 /nfs/dbraw/zinc/09/70/77/569097077.db2.gz VJJHFUVEQPWVQO-NRFANRHFSA-N 0 0 427.932 4.783 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C ZINC000065062181 569097101 /nfs/dbraw/zinc/09/71/01/569097101.db2.gz AGLRHDOJECJLIL-HNNXBMFYSA-N 0 0 441.018 4.694 50 0 IJAARN CC1CCC(NC(=O)c2cccn(-c3ccc(NC(=O)c4ccccc4F)cc3)c2=O)CC1 ZINC000065062750 569097294 /nfs/dbraw/zinc/09/72/94/569097294.db2.gz CBLGLYKVUDIDSC-UHFFFAOYSA-N 0 0 447.510 4.537 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000065063421 569098101 /nfs/dbraw/zinc/09/81/01/569098101.db2.gz VSZQJRXQLQCKKC-QGZVFWFLSA-N 0 0 439.537 4.511 50 0 IJAARN CN(C)c1c(Cl)cccc1NS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000065069080 569098331 /nfs/dbraw/zinc/09/83/31/569098331.db2.gz WBISJGAEOBZZOO-UHFFFAOYSA-N 0 0 428.888 4.736 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000036394673 569098520 /nfs/dbraw/zinc/09/85/20/569098520.db2.gz WKZLFDHKCFSCRL-UHFFFAOYSA-N 0 0 428.492 4.676 50 0 IJAARN CCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000065074547 569099018 /nfs/dbraw/zinc/09/90/18/569099018.db2.gz MBGDLMZRYVTIGV-UHFFFAOYSA-N 0 0 439.537 4.513 50 0 IJAARN COc1ccc(OC)c(CNC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000065079723 569100921 /nfs/dbraw/zinc/10/09/21/569100921.db2.gz AYKORNBLKCUPKG-UHFFFAOYSA-N 0 0 435.549 4.556 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(Cl)cc2)C1 ZINC000065080674 569101078 /nfs/dbraw/zinc/10/10/78/569101078.db2.gz APQNFRYPYSXPKC-DZGCQCFKSA-N 0 0 431.993 4.575 50 0 IJAARN CCCN(C(=O)CCn1cnc2ccccc2c1=O)[C@H](C)c1ccccc1Br ZINC000036398544 569101490 /nfs/dbraw/zinc/10/14/90/569101490.db2.gz JXHPBFGITBBMPO-MRXNPFEDSA-N 0 0 442.357 4.549 50 0 IJAARN CCN1c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169780603 569103155 /nfs/dbraw/zinc/10/31/55/569103155.db2.gz XSHHUKSKQBHVSU-NRFANRHFSA-N 0 0 445.485 4.818 50 0 IJAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 ZINC000065099348 569105055 /nfs/dbraw/zinc/10/50/55/569105055.db2.gz KHSSJDJDBBVZEW-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 ZINC000065099334 569105098 /nfs/dbraw/zinc/10/50/98/569105098.db2.gz RUBQAMLGEOYZMT-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000065099321 569105106 /nfs/dbraw/zinc/10/51/06/569105106.db2.gz MMLQAWSIXGPBCZ-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)CSc2nccnc2Oc2ccccc2)c1 ZINC000065111087 569106277 /nfs/dbraw/zinc/10/62/77/569106277.db2.gz MLEKLIAIIUDJKO-UHFFFAOYSA-N 0 0 425.510 4.797 50 0 IJAARN CCOc1ccc(C(=O)N2CCC(c3nc(-c4cccc(NC(=O)CC)c4)no3)CC2)cc1 ZINC000065111445 569106430 /nfs/dbraw/zinc/10/64/30/569106430.db2.gz LQOYZAOCAVWZNG-UHFFFAOYSA-N 0 0 448.523 4.504 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(F)cc2Br)n1 ZINC000065114380 569106434 /nfs/dbraw/zinc/10/64/34/569106434.db2.gz BPNQUSRMLBICOP-UHFFFAOYSA-N 0 0 429.293 4.819 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2F)c1 ZINC000065115860 569107010 /nfs/dbraw/zinc/10/70/10/569107010.db2.gz HIMFWJGOBIUCBD-UHFFFAOYSA-N 0 0 437.880 4.510 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)no2)c1 ZINC000065112032 569107977 /nfs/dbraw/zinc/10/79/77/569107977.db2.gz WSEZNQMHVGQIEG-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC4CCCCC4)CC3)n2)c1 ZINC000065130974 569109256 /nfs/dbraw/zinc/10/92/56/569109256.db2.gz LTKVCSOHTSQOIA-UHFFFAOYSA-N 0 0 445.567 4.772 50 0 IJAARN CCCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(C)c3)no2)CC1 ZINC000065130965 569109285 /nfs/dbraw/zinc/10/92/85/569109285.db2.gz WKMISPJCSFBKQO-UHFFFAOYSA-N 0 0 433.556 4.630 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 ZINC000065133088 569109908 /nfs/dbraw/zinc/10/99/08/569109908.db2.gz KLFJOSAVUDNWQB-UHFFFAOYSA-N 0 0 428.945 4.872 50 0 IJAARN COc1ccccc1CNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000065136900 569110383 /nfs/dbraw/zinc/11/03/83/569110383.db2.gz PZZBJFCECMCGFU-QGZVFWFLSA-N 0 0 429.948 4.689 50 0 IJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(Br)c1)CC2 ZINC000065148908 569110803 /nfs/dbraw/zinc/11/08/03/569110803.db2.gz CMPASZWCBZDWHG-UHFFFAOYSA-N 0 0 428.330 4.640 50 0 IJAARN O=C(CSc1nccc(N2CCc3ccccc3C2)n1)Nc1ccc(Cl)cc1F ZINC000065151462 569111797 /nfs/dbraw/zinc/11/17/97/569111797.db2.gz MWUIUHQTHUJRFB-UHFFFAOYSA-N 0 0 428.920 4.563 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@](O)(c4ccc(C)cc4)C3=O)c(C)o2)cc1 ZINC000065155082 569112347 /nfs/dbraw/zinc/11/23/47/569112347.db2.gz IMGGJTYHXTZTPX-HHHXNRCGSA-N 0 0 440.499 4.750 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccccc3Cl)CC2)cc1)N1CCCC1 ZINC000065179911 569113597 /nfs/dbraw/zinc/11/35/97/569113597.db2.gz FEDRKEQYDRJXEZ-UHFFFAOYSA-N 0 0 426.944 4.507 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCC1 ZINC000065179846 569113652 /nfs/dbraw/zinc/11/36/52/569113652.db2.gz AJQDEXZSMFLJBQ-UHFFFAOYSA-N 0 0 426.944 4.507 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3ccc(C(C)C)cc3)cccn12 ZINC000065185255 569114174 /nfs/dbraw/zinc/11/41/74/569114174.db2.gz ZTSQZQHPHHSSRW-UHFFFAOYSA-N 0 0 434.565 4.811 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211673 569116693 /nfs/dbraw/zinc/11/66/93/569116693.db2.gz FOEVPHHAZITPBO-UHFFFAOYSA-N 0 0 447.391 4.707 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000065228430 569117632 /nfs/dbraw/zinc/11/76/32/569117632.db2.gz KFHRHGSWFQRHBG-QGZVFWFLSA-N 0 0 426.398 4.797 50 0 IJAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1=O ZINC000065241618 569118808 /nfs/dbraw/zinc/11/88/08/569118808.db2.gz LPNLKOVZRKWKNP-UHFFFAOYSA-N 0 0 443.912 4.698 50 0 IJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1C ZINC000036614294 569124089 /nfs/dbraw/zinc/12/40/89/569124089.db2.gz KLSXMOIVPFPYHY-UHFFFAOYSA-N 0 0 431.517 4.822 50 0 IJAARN CCN1c2ccc(NC(=O)C3(c4ccc(OC)cc4)CC3)cc2Sc2ncccc2C1=O ZINC000065258507 569124484 /nfs/dbraw/zinc/12/44/84/569124484.db2.gz JOBSINDIRXCMTJ-UHFFFAOYSA-N 0 0 445.544 4.892 50 0 IJAARN COc1ccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)c4cc(OC)ccc4OC)c32)cc1 ZINC000036619272 569124741 /nfs/dbraw/zinc/12/47/41/569124741.db2.gz PXPOOGYXBSJYNR-OAHLLOKOSA-N 0 0 447.491 4.715 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CNc2cccc(F)c2)cc1OC ZINC000013127736 569125296 /nfs/dbraw/zinc/12/52/96/569125296.db2.gz OHUKYYGIBCBZQR-IBGZPJMESA-N 0 0 439.512 4.694 50 0 IJAARN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000013133799 569125568 /nfs/dbraw/zinc/12/55/68/569125568.db2.gz OHHMNBAZWJGCBC-NSHDSACASA-N 0 0 429.717 4.709 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccc(C)cc3)cc2c1C ZINC000036620720 569126097 /nfs/dbraw/zinc/12/60/97/569126097.db2.gz DNVSNSSEBSBJMS-FQEVSTJZSA-N 0 0 427.522 4.752 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1Cl)OC2=O ZINC000036636118 569128277 /nfs/dbraw/zinc/12/82/77/569128277.db2.gz OXGQAQDAVHBZOQ-OAQYLSRUSA-N 0 0 435.863 4.833 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)cc1 ZINC000065294108 569131172 /nfs/dbraw/zinc/13/11/72/569131172.db2.gz OPTOISIVLCLZSY-UHFFFAOYSA-N 0 0 435.553 4.572 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N[C@@H](C)c3ccc(F)cc3)sc12 ZINC000065294019 569131174 /nfs/dbraw/zinc/13/11/74/569131174.db2.gz SQDKYXGLKNLTIT-HNNXBMFYSA-N 0 0 437.544 4.552 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N[C@H](C)c4ccc(C)cc4)sc32)cc1 ZINC000065306767 569133490 /nfs/dbraw/zinc/13/34/90/569133490.db2.gz BPWJZOHLWGIIAS-MRXNPFEDSA-N 0 0 434.565 4.961 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)NC[C@@H](C)c4ccccc4)sc32)cc1 ZINC000065306756 569133494 /nfs/dbraw/zinc/13/34/94/569133494.db2.gz RYFCJNVNWXSINE-MRXNPFEDSA-N 0 0 434.565 4.695 50 0 IJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000065320740 569136252 /nfs/dbraw/zinc/13/62/52/569136252.db2.gz ZQRGOQLSDASCBE-HXUWFJFHSA-N 0 0 443.956 4.795 50 0 IJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)c1 ZINC000065320841 569136255 /nfs/dbraw/zinc/13/62/55/569136255.db2.gz ALAFYWIMNUFEHJ-FQEVSTJZSA-N 0 0 425.554 4.805 50 0 IJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000065320738 569136257 /nfs/dbraw/zinc/13/62/57/569136257.db2.gz ZQRGOQLSDASCBE-FQEVSTJZSA-N 0 0 443.956 4.795 50 0 IJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000065320792 569136259 /nfs/dbraw/zinc/13/62/59/569136259.db2.gz ZGPOGFGCQSJKET-FQEVSTJZSA-N 0 0 425.554 4.805 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2cccs2)n1 ZINC000065322142 569136445 /nfs/dbraw/zinc/13/64/45/569136445.db2.gz PVYKLSLVLDKCIU-HXUWFJFHSA-N 0 0 433.562 4.782 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2nccn2CC(F)(F)F)s1 ZINC000065537883 569139521 /nfs/dbraw/zinc/13/95/21/569139521.db2.gz GABRFAJPYKJDTC-YRNVUSSQSA-N 0 0 448.257 4.940 50 0 IJAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065576657 569139874 /nfs/dbraw/zinc/13/98/74/569139874.db2.gz SQTAQWDEOLNIEH-XJVZSZGSSA-N 0 0 436.527 4.576 50 0 IJAARN COc1cccc(CN(C(=O)Nc2nnc(C3CCCCC3)s2)C2CCC(O)CC2)c1 ZINC000065584744 569139968 /nfs/dbraw/zinc/13/99/68/569139968.db2.gz FVIMWKNTRHFGEW-UHFFFAOYSA-N 0 0 444.601 4.932 50 0 IJAARN COC(=O)c1scc(C)c1NC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000170602900 569143434 /nfs/dbraw/zinc/14/34/34/569143434.db2.gz GIUUJKYYGKKAFR-UHFFFAOYSA-N 0 0 442.497 4.544 50 0 IJAARN S=C1N=NC(c2ccc(-c3nc(-c4cccc(OCc5cccnc5)c4)no3)cc2)O1 ZINC000170606760 569144584 /nfs/dbraw/zinc/14/45/84/569144584.db2.gz WNBQHEHTYBDDNX-UHFFFAOYSA-N 0 0 429.461 4.716 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000170609672 569144758 /nfs/dbraw/zinc/14/47/58/569144758.db2.gz KFFSCMFDNHWOML-CTNGQTDRSA-N 0 0 445.350 4.918 50 0 IJAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037279426 569145521 /nfs/dbraw/zinc/14/55/21/569145521.db2.gz XTRKAZWITVFUFG-UHFFFAOYSA-N 0 0 446.522 4.846 50 0 IJAARN O=C(NCCO)c1ccc(NCc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000170616130 569146882 /nfs/dbraw/zinc/14/68/82/569146882.db2.gz JOJRTILAOPMZGR-UHFFFAOYSA-N 0 0 438.833 4.953 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000009869862 569149374 /nfs/dbraw/zinc/14/93/74/569149374.db2.gz IUVLKQPMXVTEFU-UHFFFAOYSA-N 0 0 444.583 4.927 50 0 IJAARN COc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(Br)cc(OC)c1O2 ZINC000009909066 569150645 /nfs/dbraw/zinc/15/06/45/569150645.db2.gz LHPPAZLAZURFMC-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccccn1)OC1(CCCCC1)CC3 ZINC000071283326 569150675 /nfs/dbraw/zinc/15/06/75/569150675.db2.gz UVJGDNOZTPESTR-UHFFFAOYSA-N 0 0 446.547 4.773 50 0 IJAARN O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc([C@@H]2CCCO2)s1 ZINC000071285703 569150894 /nfs/dbraw/zinc/15/08/94/569150894.db2.gz BYXLGWHAKCYKKO-NRFANRHFSA-N 0 0 448.548 4.952 50 0 IJAARN O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000009953831 569150993 /nfs/dbraw/zinc/15/09/93/569150993.db2.gz PTOQVHHRWOWOMG-UHFFFAOYSA-N 0 0 427.545 4.610 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000009956171 569151324 /nfs/dbraw/zinc/15/13/24/569151324.db2.gz MHSQJSVTIBVAOS-XMMPIXPASA-N 0 0 440.609 4.574 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)c(OC)c1 ZINC000010027628 569151780 /nfs/dbraw/zinc/15/17/80/569151780.db2.gz CHNCVMBNPRGURH-QHCPKHFHSA-N 0 0 436.508 4.865 50 0 IJAARN COc1ccc(C2(CNC(=O)c3cccc4c5c([nH]c43)CC[C@@H](C)C5)CCOCC2)cc1 ZINC000071823551 569154790 /nfs/dbraw/zinc/15/47/90/569154790.db2.gz DCORJGPZEWGTRR-GOSISDBHSA-N 0 0 432.564 4.780 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1 ZINC000013660285 569156542 /nfs/dbraw/zinc/15/65/42/569156542.db2.gz ZQDJMEJZNRQECW-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1 ZINC000013660282 569156589 /nfs/dbraw/zinc/15/65/89/569156589.db2.gz PDGGXZBTWJONFC-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)[C@H](C)Oc4cccc(F)c4)c3)cn2n1 ZINC000013711465 569156804 /nfs/dbraw/zinc/15/68/04/569156804.db2.gz CJPSFUUCVSDZMC-ZDUSSCGKSA-N 0 0 440.862 4.603 50 0 IJAARN Cc1nc2cc(C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3)ccc2n1-c1ccccc1 ZINC000014399736 569159025 /nfs/dbraw/zinc/15/90/25/569159025.db2.gz WFAQJVLJDNQYEA-XMMPIXPASA-N 0 0 439.494 4.726 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1I)c1ccccc1Br ZINC000014425897 569159049 /nfs/dbraw/zinc/15/90/49/569159049.db2.gz RCMYRHHMMWKNFX-SNVBAGLBSA-N 0 0 430.083 4.545 50 0 IJAARN Cc1[nH]c(=S)sc1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014505567 569159160 /nfs/dbraw/zinc/15/91/60/569159160.db2.gz YCXQHYAWIJWQAR-UHFFFAOYSA-N 0 0 434.590 4.885 50 0 IJAARN COc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3ccccc3)c2C)n1 ZINC000014609259 569159479 /nfs/dbraw/zinc/15/94/79/569159479.db2.gz OVVOSZFYQMDTLZ-UHFFFAOYSA-N 0 0 432.549 4.726 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000016843842 569163656 /nfs/dbraw/zinc/16/36/56/569163656.db2.gz XKWYUEPLXJLNLN-UHFFFAOYSA-N 0 0 429.904 4.913 50 0 IJAARN COc1ccc(OC)c(Nc2nc(CC(=O)Nc3nc4ccccc4s3)cs2)c1 ZINC000016850256 569164685 /nfs/dbraw/zinc/16/46/85/569164685.db2.gz YGQJPRNTQYIFKO-UHFFFAOYSA-N 0 0 426.523 4.695 50 0 IJAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(SC)cc4)no3)n2)c1 ZINC000016960567 569168211 /nfs/dbraw/zinc/16/82/11/569168211.db2.gz KTHSTCUOZOSYSG-UHFFFAOYSA-N 0 0 438.534 4.922 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)ccc1F ZINC000017011197 569170377 /nfs/dbraw/zinc/17/03/77/569170377.db2.gz JSBOGURBJXCESG-UHFFFAOYSA-N 0 0 430.526 4.589 50 0 IJAARN COc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000017026702 569171105 /nfs/dbraw/zinc/17/11/05/569171105.db2.gz NTYNEAHEBVJXPN-UHFFFAOYSA-N 0 0 437.443 4.819 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccc(F)cc4)[C@@H](C)C3)ncn2)ccc1Cl ZINC000037356116 569171626 /nfs/dbraw/zinc/17/16/26/569171626.db2.gz VFBUABJPWSUJMD-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1C ZINC000017052828 569172034 /nfs/dbraw/zinc/17/20/34/569172034.db2.gz DLCDBWCWNNECIZ-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037356585 569172289 /nfs/dbraw/zinc/17/22/89/569172289.db2.gz QJGISBOJVISZFT-OAHLLOKOSA-N 0 0 432.927 4.679 50 0 IJAARN COc1ccc(-c2nc3scc(CCNC(=O)c4ccc(C(C)(C)C)cc4)n3n2)cc1 ZINC000017112872 569174053 /nfs/dbraw/zinc/17/40/53/569174053.db2.gz NIHKLTPEEIICEA-UHFFFAOYSA-N 0 0 434.565 4.736 50 0 IJAARN CC(C)c1ccc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000017113711 569174141 /nfs/dbraw/zinc/17/41/41/569174141.db2.gz BECAFOQUKUHRBP-MRXNPFEDSA-N 0 0 449.623 4.663 50 0 IJAARN Nc1c2c(nn1-c1ccccc1Cl)nc(N1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357682 569174735 /nfs/dbraw/zinc/17/47/35/569174735.db2.gz OTDOMNVIVBTILE-UHFFFAOYSA-N 0 0 425.323 4.972 50 0 IJAARN COc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1 ZINC000001064124 569176522 /nfs/dbraw/zinc/17/65/22/569176522.db2.gz JOFYDJGTBIIFLD-UHFFFAOYSA-N 0 0 440.546 4.700 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000017285722 569176951 /nfs/dbraw/zinc/17/69/51/569176951.db2.gz XEHVFPZLBWTJNM-UHFFFAOYSA-N 0 0 432.293 4.622 50 0 IJAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1cccc(F)c1)nc2-c1ccccc1F ZINC000037359457 569177265 /nfs/dbraw/zinc/17/72/65/569177265.db2.gz VWPDFLCIWNGAOF-UHFFFAOYSA-N 0 0 428.446 4.955 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002092558 569178840 /nfs/dbraw/zinc/17/88/40/569178840.db2.gz HZFDBQASINORAX-FQEVSTJZSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1 ZINC000002092691 569178861 /nfs/dbraw/zinc/17/88/61/569178861.db2.gz FMVUYODUFGZVOK-UHFFFAOYSA-N 0 0 443.455 4.654 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000002108061 569181356 /nfs/dbraw/zinc/18/13/56/569181356.db2.gz GSMAEPNSZALJRE-UHFFFAOYSA-N 0 0 443.540 4.982 50 0 biogenic IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1cccnc1)nc2-c1cccc(Cl)c1 ZINC000037359636 569181452 /nfs/dbraw/zinc/18/14/52/569181452.db2.gz YEPXVRYTNVXQQJ-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCCCC3)CC(=O)N12 ZINC000002109200 569181894 /nfs/dbraw/zinc/18/18/94/569181894.db2.gz RPGHJCQAGNWENJ-RPLLCQBOSA-N 0 0 441.575 4.884 50 0 biogenic IJAARN CCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433545 569183114 /nfs/dbraw/zinc/18/31/14/569183114.db2.gz UQHGWJZCLJKYGJ-FCHUYYIVSA-N 0 0 426.582 4.514 50 0 IJAARN CC(C)OCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000002127414 569184171 /nfs/dbraw/zinc/18/41/71/569184171.db2.gz QZCSCMTVGZJZNZ-UHFFFAOYSA-N 0 0 431.492 4.657 50 0 biogenic IJAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376289 569185600 /nfs/dbraw/zinc/18/56/00/569185600.db2.gz UKPRDJCPDBUXHD-UHFFFAOYSA-N 0 0 436.922 4.907 50 0 IJAARN Cc1ccc(CN2CC(=O)N3[C@H](c4ccc(C)cc4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002154860 569187405 /nfs/dbraw/zinc/18/74/05/569187405.db2.gz ITIRKSAFSFYVMK-LBNVMWSVSA-N 0 0 449.554 4.670 50 0 biogenic IJAARN Cc1cc2nc3s/c(=C\c4ccc(OCc5ccccc5F)cc4)c(=O)n3c2cc1C ZINC000002191665 569190659 /nfs/dbraw/zinc/19/06/59/569190659.db2.gz XKIWCSCEEGKZBQ-QRVIBDJDSA-N 0 0 430.504 4.792 50 0 IJAARN Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002196329 569191375 /nfs/dbraw/zinc/19/13/75/569191375.db2.gz QZPXLHYYHYUDFE-UHFFFAOYSA-N 0 0 448.935 4.701 50 0 IJAARN O=C(Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1ccncc1 ZINC000037397407 569193487 /nfs/dbraw/zinc/19/34/87/569193487.db2.gz PSVQGANHTHYBPD-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN Cc1nnc(SCc2ccc(C(=O)NCc3ccncc3)cc2)n1-c1ccc(C)cc1 ZINC000037398174 569193605 /nfs/dbraw/zinc/19/36/05/569193605.db2.gz RVFGTLSXRKMNRI-UHFFFAOYSA-N 0 0 429.549 4.501 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccc(F)cc1)C3=O ZINC000002208751 569194060 /nfs/dbraw/zinc/19/40/60/569194060.db2.gz QZCKMVDXXYCGKS-QFIPXVFZSA-N 0 0 429.447 5.000 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)C(C)C)nn32)cc1 ZINC000002209268 569194080 /nfs/dbraw/zinc/19/40/80/569194080.db2.gz JCCIPEXPRXLJRT-RBUKOAKNSA-N 0 0 425.920 4.681 50 0 IJAARN CCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3sc4cc(C)ccc4n23)CC1 ZINC000037399133 569194304 /nfs/dbraw/zinc/19/43/04/569194304.db2.gz JWVPCFAFNAIGML-UHFFFAOYSA-N 0 0 448.592 4.587 50 0 IJAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccoc1)C(=O)c1ccccc1Cl ZINC000037427487 569195936 /nfs/dbraw/zinc/19/59/36/569195936.db2.gz QNTHTHFSGMESJB-QFIPXVFZSA-N 0 0 439.943 4.607 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3cccc(F)c3)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000037441583 569196883 /nfs/dbraw/zinc/19/68/83/569196883.db2.gz XLXBUCXTDQJKJA-QHCPKHFHSA-N 0 0 436.458 4.809 50 0 IJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Br)cc1 ZINC000037522785 569198481 /nfs/dbraw/zinc/19/84/81/569198481.db2.gz RHBVTSHARFXHTB-KRWDZBQOSA-N 0 0 449.348 4.994 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037546986 569199877 /nfs/dbraw/zinc/19/98/77/569199877.db2.gz DUOXDFUFVNRBQK-NRFANRHFSA-N 0 0 437.515 4.648 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037601740 569202536 /nfs/dbraw/zinc/20/25/36/569202536.db2.gz NVFUNNAMUDKATN-JWQCQUIFSA-N 0 0 436.596 4.807 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NC(C)C)cc2[C@H]1c1cccc(F)c1 ZINC000037603372 569202622 /nfs/dbraw/zinc/20/26/22/569202622.db2.gz KZGAKVIPMXBKOP-IQGLISFBSA-N 0 0 440.559 4.638 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037603561 569202669 /nfs/dbraw/zinc/20/26/69/569202669.db2.gz VRPCJWXYGSKLPV-IQGLISFBSA-N 0 0 440.559 4.639 50 0 IJAARN CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000037603886 569202671 /nfs/dbraw/zinc/20/26/71/569202671.db2.gz KVBDQRZGRFUKFK-UQBPGWFLSA-N 0 0 446.547 4.622 50 0 IJAARN C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)(C)C)CC2)C(=O)N1CCCC1 ZINC000037604047 569202872 /nfs/dbraw/zinc/20/28/72/569202872.db2.gz QREFYFWFFWGDKM-YADARESESA-N 0 0 434.580 4.597 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2nc3c(cc2c1=O)CCCC3 ZINC000002220230 569204490 /nfs/dbraw/zinc/20/44/90/569204490.db2.gz HWXQYFVQQKAJIY-UHFFFAOYSA-N 0 0 444.560 4.574 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002230950 569210364 /nfs/dbraw/zinc/21/03/64/569210364.db2.gz DHAXTPNBOXEMLB-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)cc2)c3=O)cc1 ZINC000003632360 569211866 /nfs/dbraw/zinc/21/18/66/569211866.db2.gz WCZVRQFFDYLKPX-UHFFFAOYSA-N 0 0 447.516 4.708 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000002237542 569212535 /nfs/dbraw/zinc/21/25/35/569212535.db2.gz GSVPMEBEARYBGZ-BOPFTXTBSA-N 0 0 442.924 4.828 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1Cl ZINC000002698743 569212681 /nfs/dbraw/zinc/21/26/81/569212681.db2.gz FTFWHVDONGSXSU-UHFFFAOYSA-N 0 0 439.943 4.669 50 0 IJAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(SCC(N)=O)n1 ZINC000002244919 569213851 /nfs/dbraw/zinc/21/38/51/569213851.db2.gz ILNDYKNHFKYKER-UHFFFAOYSA-N 0 0 438.603 4.695 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccc(F)cc4)C32)cc1 ZINC000002250818 569213864 /nfs/dbraw/zinc/21/38/64/569213864.db2.gz OPIFFYDAEPHBBN-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN CCCCCCn1c(N)c(C(=O)NCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002264019 569216033 /nfs/dbraw/zinc/21/60/33/569216033.db2.gz JYXWOGBJFFZINT-UHFFFAOYSA-N 0 0 431.540 4.686 50 0 IJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002263674 569216107 /nfs/dbraw/zinc/21/61/07/569216107.db2.gz KDYGFVYJNDZNNA-UWJYYQICSA-N 0 0 429.586 4.885 50 0 IJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002256075 569216899 /nfs/dbraw/zinc/21/68/99/569216899.db2.gz SQVNKXFYOTVTGO-FQEVSTJZSA-N 0 0 448.500 4.797 50 0 IJAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1Oc1cnn(-c2ccccc2)c1)OCCCO3 ZINC000019927983 569257268 /nfs/dbraw/zinc/25/72/68/569257268.db2.gz ZOBLAIQXYNCWQU-UHFFFAOYSA-N 0 0 444.365 4.951 50 0 IJAARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C ZINC000034871027 569257641 /nfs/dbraw/zinc/25/76/41/569257641.db2.gz HVUYZRAQHFYMES-WGHDKNDMSA-N 0 0 446.584 4.603 50 0 IJAARN Cc1cc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)n(Cc2ccccc2)n1 ZINC000058643586 569258566 /nfs/dbraw/zinc/25/85/66/569258566.db2.gz UPWQSDVBKFWKLE-UHFFFAOYSA-N 0 0 432.549 4.765 50 0 IJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Br)cc2)c1 ZINC000027527504 569263197 /nfs/dbraw/zinc/26/31/97/569263197.db2.gz VUSZJMCSCKLHNC-UHFFFAOYSA-N 0 0 434.293 4.518 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)ccc1O ZINC000253407395 569265434 /nfs/dbraw/zinc/26/54/34/569265434.db2.gz JVOQXGBNVYPGTM-SFHVURJKSA-N 0 0 428.440 4.924 50 0 biogenic IJAARN Cc1cnc(COc2cc(C(F)(F)F)nc3ccc(I)cc32)o1 ZINC000253415858 569266475 /nfs/dbraw/zinc/26/64/75/569266475.db2.gz ITDBQJWBUDBQQA-UHFFFAOYSA-N 0 0 434.155 4.734 50 0 IJAARN Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002293110 569268013 /nfs/dbraw/zinc/26/80/13/569268013.db2.gz TYVUVZDZZGGNSE-UHFFFAOYSA-N 0 0 433.943 4.931 50 0 IJAARN O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccc(F)c1 ZINC000027548013 569271316 /nfs/dbraw/zinc/27/13/16/569271316.db2.gz MNOUYCNEIAHVMB-UHFFFAOYSA-N 0 0 426.860 4.809 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000002308460 569272139 /nfs/dbraw/zinc/27/21/39/569272139.db2.gz KHNHWZMUOWMGQP-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN CN(C)C(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000002345578 569279935 /nfs/dbraw/zinc/27/99/35/569279935.db2.gz XEVKJANRIFRUJP-RGEXLXHISA-N 0 0 439.309 4.568 50 0 IJAARN COCCn1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc21 ZINC000252508730 569288135 /nfs/dbraw/zinc/28/81/35/569288135.db2.gz XRZIQQKJAHJZBK-DEOSSOPVSA-N 0 0 438.531 4.878 50 0 IJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002369918 569288788 /nfs/dbraw/zinc/28/87/88/569288788.db2.gz DCUTXYJFDIFGER-OXQOHEQNSA-N 0 0 445.585 4.672 50 0 IJAARN Cc1c(OC(=O)CCCNC(=O)OCc2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002371337 569288999 /nfs/dbraw/zinc/28/89/99/569288999.db2.gz WDJWOKNJCHOYFI-UHFFFAOYSA-N 0 0 449.503 4.592 50 0 IJAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002384825 569294285 /nfs/dbraw/zinc/29/42/85/569294285.db2.gz HXJPISBTYHXWPF-KRWDZBQOSA-N 0 0 449.931 4.924 50 0 IJAARN CCOCCCNC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc21 ZINC000002391814 569297880 /nfs/dbraw/zinc/29/78/80/569297880.db2.gz XISFIISCKJIRFP-QGZVFWFLSA-N 0 0 445.567 4.826 50 0 IJAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002395742 569298346 /nfs/dbraw/zinc/29/83/46/569298346.db2.gz JGXDXVOOAMEUID-QGZVFWFLSA-N 0 0 429.513 4.579 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc21 ZINC000002396211 569298489 /nfs/dbraw/zinc/29/84/89/569298489.db2.gz FIXOXEPURISXKY-UHFFFAOYSA-N 0 0 448.523 4.910 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C)cc2)s1 ZINC000002398221 569298703 /nfs/dbraw/zinc/29/87/03/569298703.db2.gz BWJWVWSAKYULDZ-GOSISDBHSA-N 0 0 437.908 4.919 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002406322 569300229 /nfs/dbraw/zinc/30/02/29/569300229.db2.gz XXBDBVVWEIRXMO-JTSKRJEESA-N 0 0 435.545 4.856 50 0 IJAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)nc(N)c32)CO1 ZINC000002413252 569301149 /nfs/dbraw/zinc/30/11/49/569301149.db2.gz HNZVKESALHPFOI-FQEVSTJZSA-N 0 0 449.001 4.899 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002418226 569301626 /nfs/dbraw/zinc/30/16/26/569301626.db2.gz YSKHOXNIMBDHCH-QHCPKHFHSA-N 0 0 447.437 4.868 50 0 IJAARN Cc1cccc(-n2c(N)c(C(=O)NCCCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002418496 569301743 /nfs/dbraw/zinc/30/17/43/569301743.db2.gz XKUBWPLFHVARBI-UHFFFAOYSA-N 0 0 435.531 4.827 50 0 IJAARN CCCCOC(=O)c1ccc(-n2c(N)c(C(=O)OCCC)c3nc4ccccc4nc32)cc1 ZINC000002420514 569301983 /nfs/dbraw/zinc/30/19/83/569301983.db2.gz BLHIVDQSTMNLHM-UHFFFAOYSA-N 0 0 446.507 4.680 50 0 IJAARN CC(C)CCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002422822 569302173 /nfs/dbraw/zinc/30/21/73/569302173.db2.gz SFQZGXFUTPYKHJ-UHFFFAOYSA-N 0 0 428.945 4.699 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002431724 569303364 /nfs/dbraw/zinc/30/33/64/569303364.db2.gz XERPSOLIGHQRGR-QHCPKHFHSA-N 0 0 447.437 4.868 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2cccc(C)c2C)cc1 ZINC000002433998 569303372 /nfs/dbraw/zinc/30/33/72/569303372.db2.gz XLGTVIKUDOOEKN-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002433982 569303455 /nfs/dbraw/zinc/30/34/55/569303455.db2.gz HFNJDLYDJRUHOM-OAQYLSRUSA-N 0 0 432.863 4.990 50 0 IJAARN COc1ccc(C(=O)[C@@H]2O[C@@H]2c2ccc3c(c2)OCCCO3)c(OCc2ccccc2)c1 ZINC000002436917 569303789 /nfs/dbraw/zinc/30/37/89/569303789.db2.gz LCZGXRQMRWGKLA-FTJBHMTQSA-N 0 0 432.472 4.758 50 0 IJAARN Cc1c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)sc2nc(-c3ccco3)nc(C)c12 ZINC000013003016 569306127 /nfs/dbraw/zinc/30/61/27/569306127.db2.gz CXAVQSNGVUZHNH-UHFFFAOYSA-N 0 0 448.548 4.862 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002453844 569306191 /nfs/dbraw/zinc/30/61/91/569306191.db2.gz BNTVSGCQULYGMH-UHFFFAOYSA-N 0 0 438.553 4.722 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(Br)cc4)cc3)nn2)n1 ZINC000013009667 569306561 /nfs/dbraw/zinc/30/65/61/569306561.db2.gz YRANFYWTXOIRMM-UHFFFAOYSA-N 0 0 449.312 4.729 50 0 IJAARN COc1ccc2c(c1)nc(SCn1nnc3ccccc3c1=O)cc2-c1ccccc1 ZINC000013013960 569307025 /nfs/dbraw/zinc/30/70/25/569307025.db2.gz UUSJBQFUXZDCOH-UHFFFAOYSA-N 0 0 426.501 4.765 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)n1C ZINC000013112268 569310367 /nfs/dbraw/zinc/31/03/67/569310367.db2.gz HMBSGKPSURVZTJ-UHFFFAOYSA-N 0 0 430.961 4.776 50 0 IJAARN C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000013112212 569310408 /nfs/dbraw/zinc/31/04/08/569310408.db2.gz USQAHHWUTJFXTE-KRWDZBQOSA-N 0 0 443.576 4.664 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccco1 ZINC000013121375 569311140 /nfs/dbraw/zinc/31/11/40/569311140.db2.gz SHFGZRFDAMQYQD-UHFFFAOYSA-N 0 0 425.539 4.721 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000013149431 569312281 /nfs/dbraw/zinc/31/22/81/569312281.db2.gz RKJMKYLEXZPZDQ-UHFFFAOYSA-N 0 0 437.879 4.684 50 0 IJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1cc(C)ccc1C ZINC000013149524 569312292 /nfs/dbraw/zinc/31/22/92/569312292.db2.gz SWOOVZXTTXMHPX-UHFFFAOYSA-N 0 0 431.488 4.647 50 0 IJAARN COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000013164234 569312403 /nfs/dbraw/zinc/31/24/03/569312403.db2.gz BYHKDARPIHTXJA-HBRDYDSTSA-N 0 0 435.545 4.961 50 0 IJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000013284029 569312748 /nfs/dbraw/zinc/31/27/48/569312748.db2.gz PDGXVXOZFDSWKE-UHFFFAOYSA-N 0 0 432.343 4.764 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2=O)cc1C ZINC000013350183 569313159 /nfs/dbraw/zinc/31/31/59/569313159.db2.gz AWMILCCRBXYBKT-HNNXBMFYSA-N 0 0 447.482 4.987 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)cc1C ZINC000013354557 569313451 /nfs/dbraw/zinc/31/34/51/569313451.db2.gz SMTALSBCHXVZFU-UHFFFAOYSA-N 0 0 448.592 4.987 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355073 569313539 /nfs/dbraw/zinc/31/35/39/569313539.db2.gz WJBNKUYPOSCNSY-UHFFFAOYSA-N 0 0 434.561 4.953 50 0 IJAARN O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000013358401 569313744 /nfs/dbraw/zinc/31/37/44/569313744.db2.gz WADPJKBNZVZPIF-UHFFFAOYSA-N 0 0 432.411 4.839 50 0 IJAARN COC(=O)c1cccc(NC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013358385 569313759 /nfs/dbraw/zinc/31/37/59/569313759.db2.gz MROHWAOTLPYWMI-UHFFFAOYSA-N 0 0 432.411 4.973 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000013359694 569313829 /nfs/dbraw/zinc/31/38/29/569313829.db2.gz FLSGRUIAPUXGRU-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361052 569314019 /nfs/dbraw/zinc/31/40/19/569314019.db2.gz ONXHWPNGGKMHRM-UHFFFAOYSA-N 0 0 431.517 4.541 50 0 IJAARN O=C1N[C@]2(CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000013395462 569315307 /nfs/dbraw/zinc/31/53/07/569315307.db2.gz UBLXJJQOWTZNHB-CONSUNNSSA-N 0 0 426.520 4.779 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(C(Cl)=Cc3cccc(F)c3F)nc2c1 ZINC000078657921 569316717 /nfs/dbraw/zinc/31/67/17/569316717.db2.gz MWBFGBUPWSMUFR-UVTDQMKNSA-N 0 0 425.888 4.609 50 0 IJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccccc2[S@@](C)=O)s1 ZINC000078899493 569320137 /nfs/dbraw/zinc/32/01/37/569320137.db2.gz ZYVFVLOMPXDGQY-LJAQVGFWSA-N 0 0 443.575 4.875 50 0 IJAARN Cc1nnc(-c2cccc(NC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)c2)o1 ZINC000079097172 569325366 /nfs/dbraw/zinc/32/53/66/569325366.db2.gz DOULPYSZJBPDIO-IBGZPJMESA-N 0 0 441.329 4.583 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000079111221 569326156 /nfs/dbraw/zinc/32/61/56/569326156.db2.gz IXHGEIZFJPZCPW-HXUWFJFHSA-N 0 0 428.492 4.567 50 0 IJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccccc4Cl)n3)cc21 ZINC000019820284 569330068 /nfs/dbraw/zinc/33/00/68/569330068.db2.gz VMWWBNPALLEZRE-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN Cc1cccc(C)c1N(C(=O)c1ccccc1)C(=O)[C@H](c1ccccc1)N1CCOCC1 ZINC000019901040 569331876 /nfs/dbraw/zinc/33/18/76/569331876.db2.gz JNRXTWVKXLAFLL-VWLOTQADSA-N 0 0 428.532 4.550 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@H]1c1cccs1 ZINC000020134033 569335560 /nfs/dbraw/zinc/33/55/60/569335560.db2.gz YZIOQLXJIUEKFW-SFHVURJKSA-N 0 0 426.567 4.792 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)n2nc(C(F)(F)F)nc2N1 ZINC000020134492 569335757 /nfs/dbraw/zinc/33/57/57/569335757.db2.gz MPXFEKOIFOCCML-AWEZNQCLSA-N 0 0 439.850 4.939 50 0 IJAARN CCOC(=O)CSC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020151978 569336536 /nfs/dbraw/zinc/33/65/36/569336536.db2.gz YXMDUMLZPMWBDX-WQRHYEAKSA-N 0 0 444.940 4.697 50 0 IJAARN O=C(c1cc(Br)cs1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826190 569353806 /nfs/dbraw/zinc/35/38/06/569353806.db2.gz FBBPACUZUMHXIT-UHFFFAOYSA-N 0 0 445.386 4.854 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020179111 569354751 /nfs/dbraw/zinc/35/47/51/569354751.db2.gz KCICBKJRVCFASE-SFHVURJKSA-N 0 0 443.975 4.634 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000020179948 569354880 /nfs/dbraw/zinc/35/48/80/569354880.db2.gz UUWFQEJHDMYOLR-UCQKPKSFSA-N 0 0 448.519 4.874 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21 ZINC000020180870 569355214 /nfs/dbraw/zinc/35/52/14/569355214.db2.gz IRYYOMUCTRSPEY-QIUQKMPBSA-N 0 0 442.918 4.941 50 0 IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1 ZINC000020180918 569355224 /nfs/dbraw/zinc/35/52/24/569355224.db2.gz SDLSXGQYDYYKTO-IWIPYMOSSA-N 0 0 444.556 4.800 50 0 IJAARN CCCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000020180988 569355257 /nfs/dbraw/zinc/35/52/57/569355257.db2.gz RLWIAWIGEDHXJC-CPNJWEJPSA-N 0 0 445.382 4.845 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000020241178 569357879 /nfs/dbraw/zinc/35/78/79/569357879.db2.gz QBYDWKHPQWZEMO-INIZCTEOSA-N 0 0 438.549 4.840 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(C)=O)c1 ZINC000095116645 569358367 /nfs/dbraw/zinc/35/83/67/569358367.db2.gz GSURGGKRRNWFQI-HSZRJFAPSA-N 0 0 426.476 4.839 50 0 IJAARN COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccccc2)c1OC ZINC000095116688 569358532 /nfs/dbraw/zinc/35/85/32/569358532.db2.gz PUSUNTRSVYAGGI-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000020355825 569361419 /nfs/dbraw/zinc/36/14/19/569361419.db2.gz SRKRXVJVYKUMIZ-QHCPKHFHSA-N 0 0 445.544 4.854 50 0 IJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1 ZINC000020381752 569362633 /nfs/dbraw/zinc/36/26/33/569362633.db2.gz JOVROJVAKKLRRI-UHFFFAOYSA-N 0 0 440.565 4.711 50 0 IJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCCCC3)c2c1 ZINC000020381748 569362651 /nfs/dbraw/zinc/36/26/51/569362651.db2.gz MTBNDTHRIWYFKY-UHFFFAOYSA-N 0 0 440.565 4.855 50 0 IJAARN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1F)c2=O ZINC000020411573 569364038 /nfs/dbraw/zinc/36/40/38/569364038.db2.gz RMUHLGNISUGGFC-QFIPXVFZSA-N 0 0 442.446 4.556 50 0 biogenic IJAARN COc1cccc(-c2nc(C(=O)O[C@H](CCc3ccccc3)c3nccn3C)c(C)[nH]2)c1 ZINC000095450783 569367787 /nfs/dbraw/zinc/36/77/87/569367787.db2.gz XBFCEFOGJIJEJF-OAQYLSRUSA-N 0 0 430.508 4.658 50 0 IJAARN O=C(c1cccnc1Nc1cccc(F)c1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459331 569369525 /nfs/dbraw/zinc/36/95/25/569369525.db2.gz AZSXGDVTLRGZIP-QGZVFWFLSA-N 0 0 446.404 4.672 50 0 IJAARN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C1 ZINC000095462245 569370078 /nfs/dbraw/zinc/37/00/78/569370078.db2.gz JIFMCSUSLYNREX-QGZVFWFLSA-N 0 0 428.556 4.618 50 0 IJAARN Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)s1 ZINC000095466962 569371036 /nfs/dbraw/zinc/37/10/36/569371036.db2.gz QGSXRZATTFJZDX-OAHLLOKOSA-N 0 0 429.567 4.610 50 0 IJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478042 569373369 /nfs/dbraw/zinc/37/33/69/569373369.db2.gz BIRKSJKFKIWXDT-IFXJQAMLSA-N 0 0 447.557 4.631 50 0 IJAARN O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1ccc(Br)o1 ZINC000095946394 569376083 /nfs/dbraw/zinc/37/60/83/569376083.db2.gz KPXLGSXLODLBFP-UHFFFAOYSA-N 0 0 444.672 4.851 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000096006917 569379489 /nfs/dbraw/zinc/37/94/89/569379489.db2.gz DKGJUXWCZKPFNY-UHFFFAOYSA-N 0 0 442.791 4.572 50 0 IJAARN COCCN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1cccc(Br)n1 ZINC000096011107 569379714 /nfs/dbraw/zinc/37/97/14/569379714.db2.gz QNYBUIKQLMFSPY-UHFFFAOYSA-N 0 0 446.732 4.853 50 0 IJAARN Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(Cc2ccc(C(=O)NC3CC3)cc2)c1C ZINC000096095964 569381120 /nfs/dbraw/zinc/38/11/20/569381120.db2.gz LOTHCXTWTWBTEY-RWEWTDSWSA-N 0 0 439.968 4.501 50 0 IJAARN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096113711 569382529 /nfs/dbraw/zinc/38/25/29/569382529.db2.gz UUFICDOYPMPUFA-MRXNPFEDSA-N 0 0 436.423 4.550 50 0 biogenic IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCc4ccc(O)cc4)c(=O)oc3c2C)c1C ZINC000096114858 569383091 /nfs/dbraw/zinc/38/30/91/569383091.db2.gz YSXRMGZUESXKEK-UHFFFAOYSA-N 0 0 433.504 4.770 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117989 569384434 /nfs/dbraw/zinc/38/44/34/569384434.db2.gz DOXTWLHZNJHHNC-SJCJKPOMSA-N 0 0 435.933 4.575 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)N2CCN(CC)CC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275700 569388425 /nfs/dbraw/zinc/38/84/25/569388425.db2.gz RPOHUZMGBBWSRU-XMMPIXPASA-N 0 0 433.596 4.815 50 0 IJAARN C[C@]1(CNC(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2ccccc2)CCCO1 ZINC000096276933 569388671 /nfs/dbraw/zinc/38/86/71/569388671.db2.gz BFVMLSVWCXRDPR-HHHXNRCGSA-N 0 0 445.563 4.727 50 0 IJAARN O=C(c1ccco1)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000096277857 569388834 /nfs/dbraw/zinc/38/88/34/569388834.db2.gz BTEWURYWVQBOMI-UHFFFAOYSA-N 0 0 442.269 4.570 50 0 IJAARN CCCCN1c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N=C1c1cccc(C)c1 ZINC000096288194 569390476 /nfs/dbraw/zinc/39/04/76/569390476.db2.gz HCWJKXZKVIQKST-UHFFFAOYSA-N 0 0 439.581 4.879 50 0 IJAARN CC[C@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccccc1Cl ZINC000096293555 569391691 /nfs/dbraw/zinc/39/16/91/569391691.db2.gz YKRHAXQSKVRQCU-AWEZNQCLSA-N 0 0 427.888 4.602 50 0 IJAARN COc1cc(OC)cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3cccs3)n2)c1 ZINC000096294230 569391777 /nfs/dbraw/zinc/39/17/77/569391777.db2.gz PWERNJXCNWMFLC-IBGZPJMESA-N 0 0 435.505 4.529 50 0 IJAARN CCC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000096317780 569393619 /nfs/dbraw/zinc/39/36/19/569393619.db2.gz YNIPYVNGEKAOFU-UHFFFAOYSA-N 0 0 449.426 4.940 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3cc4ccccc4[nH]3)s2)cc1 ZINC000096321796 569394126 /nfs/dbraw/zinc/39/41/26/569394126.db2.gz XAVSQJKHVBYWQB-LJQANCHMSA-N 0 0 431.521 4.557 50 0 IJAARN COc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3cc(C)c(C)cc3C)o2)n1 ZINC000096322799 569394864 /nfs/dbraw/zinc/39/48/64/569394864.db2.gz IYUHSCUOTOQOPO-UHFFFAOYSA-N 0 0 438.505 4.904 50 0 IJAARN COC(=O)C[C@H](c1ccc(F)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335862 569396622 /nfs/dbraw/zinc/39/66/22/569396622.db2.gz AJWVXZBQWDYRHQ-GOSISDBHSA-N 0 0 432.444 4.611 50 0 IJAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccccc4C(F)(F)F)no3)[nH]c2c1 ZINC000096349468 569397272 /nfs/dbraw/zinc/39/72/72/569397272.db2.gz WWNKMPSDURRAGN-UHFFFAOYSA-N 0 0 444.413 4.560 50 0 IJAARN COc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccccc4C(F)(F)F)no3)cc2c1 ZINC000096349813 569397310 /nfs/dbraw/zinc/39/73/10/569397310.db2.gz LUXZBEWJJLSSSH-UHFFFAOYSA-N 0 0 444.413 4.560 50 0 IJAARN CC[C@H](NC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)c1cccs1 ZINC000096372452 569397897 /nfs/dbraw/zinc/39/78/97/569397897.db2.gz LQQGJFJPAXOVQK-IBGZPJMESA-N 0 0 444.560 4.635 50 0 IJAARN Cc1ccc(-n2c(CC(=O)NCc3ccc(OC(C)C)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000096386987 569398776 /nfs/dbraw/zinc/39/87/76/569398776.db2.gz USOHVDLSVHXWMS-QHCPKHFHSA-N 0 0 429.520 4.585 50 0 IJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2c1cccc2OC ZINC000096398644 569399720 /nfs/dbraw/zinc/39/97/20/569399720.db2.gz QORSJBGTHOKWEX-UHFFFAOYSA-N 0 0 438.915 4.903 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OCc1nc(-c2ccsc2)no1 ZINC000096404320 569400640 /nfs/dbraw/zinc/40/06/40/569400640.db2.gz HCRRTAZZGIEMFT-HJWRWDBZSA-N 0 0 434.521 4.725 50 0 IJAARN COc1ccc2c(c1)C(N1CCCN(C(=O)c3ccccc3F)CC1)=Nc1ccccc1O2 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569436924 /nfs/dbraw/zinc/43/69/24/569436924.db2.gz YHXHMIMWNDOGMH-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)Nc1ccc(F)cc1 ZINC000057489290 569437039 /nfs/dbraw/zinc/43/70/39/569437039.db2.gz MRNDHQVUBDMJTR-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(-c3ccccc3C)c2=O)cc1 ZINC000057489866 569437076 /nfs/dbraw/zinc/43/70/76/569437076.db2.gz ACPOQLZXFJNGSI-UHFFFAOYSA-N 0 0 447.560 4.504 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003031296 569437605 /nfs/dbraw/zinc/43/76/05/569437605.db2.gz OGXWCUHUMARRIS-UHFFFAOYSA-N 0 0 438.524 4.700 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@H]2CCCC[C@H]2C)c2ccccc23)cc1 ZINC000057524195 569439066 /nfs/dbraw/zinc/43/90/66/569439066.db2.gz GLEPKJJHIVBWDY-UZLBHIALSA-N 0 0 449.580 4.663 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053812 569439359 /nfs/dbraw/zinc/43/93/59/569439359.db2.gz IXUIPPGINTYPIB-INIZCTEOSA-N 0 0 431.941 4.658 50 0 IJAARN CSCC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc2ccccn21 ZINC000057563816 569439830 /nfs/dbraw/zinc/43/98/30/569439830.db2.gz ZUTSAUTUXXXQRE-INIZCTEOSA-N 0 0 426.929 4.867 50 0 IJAARN Cc1cc(C)cc(OCCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000029992797 569440150 /nfs/dbraw/zinc/44/01/50/569440150.db2.gz FRNUCBFLXXYPLE-UHFFFAOYSA-N 0 0 441.531 4.538 50 0 IJAARN Cc1ccc(C(=O)OCCCc2cn(C(=O)c3ccc(C)cc3)nc2C(F)(F)F)cc1 ZINC000003105371 569440270 /nfs/dbraw/zinc/44/02/70/569440270.db2.gz QVGDQENDDPMAGJ-UHFFFAOYSA-N 0 0 430.426 4.997 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000003111099 569440370 /nfs/dbraw/zinc/44/03/70/569440370.db2.gz CSEVWNCCPMFDKG-UHFFFAOYSA-N 0 0 434.286 4.673 50 0 IJAARN COC(=O)N[C@@H](c1cc(C)ccc1C)C(Br)(Br)Br ZINC000003138931 569440775 /nfs/dbraw/zinc/44/07/75/569440775.db2.gz ZBZOTTINRCHTRT-JTQLQIEISA-N 0 0 443.961 4.539 50 0 IJAARN COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1OC ZINC000003215171 569441811 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CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1)CCCC2 ZINC000003249525 569442884 /nfs/dbraw/zinc/44/28/84/569442884.db2.gz DCTPHXLCABHAFL-UHFFFAOYSA-N 0 0 441.336 4.688 50 0 IJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1cccs1)cc2C ZINC000003268629 569443448 /nfs/dbraw/zinc/44/34/48/569443448.db2.gz GDJSOOVZLQCCIY-UHFFFAOYSA-N 0 0 437.267 4.774 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000030557799 569443756 /nfs/dbraw/zinc/44/37/56/569443756.db2.gz IANIPAXUEZVWDZ-UHFFFAOYSA-N 0 0 426.626 4.874 50 0 IJAARN CCOC(=O)c1c(NC(=O)COC(=O)c2ccco2)sc(Cl)c1-c1ccccc1 ZINC000003282184 569443927 /nfs/dbraw/zinc/44/39/27/569443927.db2.gz BUENFGAYWAIHMA-UHFFFAOYSA-N 0 0 433.869 4.634 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003302610 569445114 /nfs/dbraw/zinc/44/51/14/569445114.db2.gz BBTKRODZGPLZQC-HNNXBMFYSA-N 0 0 443.459 4.637 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)c1ccccc1 ZINC000003323965 569446112 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/nfs/dbraw/zinc/45/79/67/569457967.db2.gz DIHRHVSXHMRTDR-NRFANRHFSA-N 0 0 437.496 4.623 50 0 IJAARN CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000031819666 569458032 /nfs/dbraw/zinc/45/80/32/569458032.db2.gz BOPKCISBXOUCSQ-UHFFFAOYSA-N 0 0 435.940 4.740 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000004015597 569458140 /nfs/dbraw/zinc/45/81/40/569458140.db2.gz BADLSTJEMOKFDI-LJQANCHMSA-N 0 0 444.837 4.711 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031903641 569458308 /nfs/dbraw/zinc/45/83/08/569458308.db2.gz PEGXHVGGCSWGIX-HXUWFJFHSA-N 0 0 432.568 4.514 50 0 IJAARN COc1ccc([C@@H](Nc2ccccc2)c2nnnn2-c2cc(Cl)ccc2C)cc1OC ZINC000004042550 569458364 /nfs/dbraw/zinc/45/83/64/569458364.db2.gz LFGWJBJNPYXFRK-JOCHJYFZSA-N 0 0 435.915 4.843 50 0 IJAARN CCOc1c(Br)cc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1OC ZINC000031926955 569458462 /nfs/dbraw/zinc/45/84/62/569458462.db2.gz LBQJEJYEHOVPGE-UHFFFAOYSA-N 0 0 426.257 4.728 50 0 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569461540 /nfs/dbraw/zinc/46/15/40/569461540.db2.gz NJJKCTGEGTYDGM-OAQYLSRUSA-N 0 0 435.528 4.741 50 0 IJAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)no1 ZINC000032453965 569461757 /nfs/dbraw/zinc/46/17/57/569461757.db2.gz XATQYFNYJDLSLX-UHFFFAOYSA-N 0 0 445.504 4.570 50 0 IJAARN O=C(Nc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1)c1ccc(Cl)cc1 ZINC000032502255 569461950 /nfs/dbraw/zinc/46/19/50/569461950.db2.gz ZALHOUUSSLHCMR-UHFFFAOYSA-N 0 0 443.937 4.754 50 0 IJAARN Cc1cc([C@@H](c2ccccc2Cl)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546410 569463606 /nfs/dbraw/zinc/46/36/06/569463606.db2.gz BWPPKJWOWNUHHY-HXUWFJFHSA-N 0 0 429.973 4.892 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000008405307 569464022 /nfs/dbraw/zinc/46/40/22/569464022.db2.gz OUSONFSVSWXGSL-XMMPIXPASA-N 0 0 427.504 4.953 50 0 IJAARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000008437631 569464318 /nfs/dbraw/zinc/46/43/18/569464318.db2.gz DGSPNPFDMSEQDG-UHFFFAOYSA-N 0 0 448.479 4.684 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C(C)C)c1 ZINC000067192642 569464421 /nfs/dbraw/zinc/46/44/21/569464421.db2.gz XLCNHAXNIMZULW-UHFFFAOYSA-N 0 0 435.553 4.584 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 ZINC000067206913 569464634 /nfs/dbraw/zinc/46/46/34/569464634.db2.gz TVZMXQWNYRUHNS-UHFFFAOYSA-N 0 0 445.338 4.898 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)N1CCc2ccccc21 ZINC000067207382 569464709 /nfs/dbraw/zinc/46/47/09/569464709.db2.gz HFXFWYWIZCPHQB-UHFFFAOYSA-N 0 0 449.308 4.557 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1F ZINC000067209169 569464806 /nfs/dbraw/zinc/46/48/06/569464806.db2.gz PMSYQCSHLPRZSV-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)NCCC1=CCCCC1 ZINC000067209068 569464822 /nfs/dbraw/zinc/46/48/22/569464822.db2.gz OFMKGJGOKRFUDV-UHFFFAOYSA-N 0 0 439.606 4.854 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)[nH]n1 ZINC000038652162 569465719 /nfs/dbraw/zinc/46/57/19/569465719.db2.gz XOTPIRUNPUBWHE-UHFFFAOYSA-N 0 0 443.576 4.779 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2cc(F)ccc2F)c1 ZINC000067258973 569466207 /nfs/dbraw/zinc/46/62/07/569466207.db2.gz DTOJLYSEBVEWJF-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000067260290 569466279 /nfs/dbraw/zinc/46/62/79/569466279.db2.gz DGZWQHMKDYCRQQ-UHFFFAOYSA-N 0 0 432.480 4.979 50 0 IJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)NCCc1ccc(Cl)cc1 ZINC000067290167 569467558 /nfs/dbraw/zinc/46/75/58/569467558.db2.gz RPTGNJHKWBTKDF-UHFFFAOYSA-N 0 0 428.970 4.562 50 0 IJAARN Cc1cc2nc(SCC(=O)NCc3ccc(C(C)C)cc3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067319357 569468495 /nfs/dbraw/zinc/46/84/95/569468495.db2.gz NKFNTAQXHURITD-UHFFFAOYSA-N 0 0 440.613 4.611 50 0 IJAARN CC[C@@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000067335140 569468806 /nfs/dbraw/zinc/46/88/06/569468806.db2.gz JNSPLAGEVNPGDQ-LLVKDONJSA-N 0 0 437.974 4.822 50 0 IJAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1cccc(Cl)c1Cl ZINC000008640533 569469548 /nfs/dbraw/zinc/46/95/48/569469548.db2.gz BXPAYSWDMDXVJQ-UHFFFAOYSA-N 0 0 440.377 4.901 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000008705603 569470441 /nfs/dbraw/zinc/47/04/41/569470441.db2.gz YBGXSKMIINVQFO-UHFFFAOYSA-N 0 0 441.325 4.705 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000008710252 569470901 /nfs/dbraw/zinc/47/09/01/569470901.db2.gz KGGJYOZIXDNKMK-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)c1 ZINC000008719605 569471467 /nfs/dbraw/zinc/47/14/67/569471467.db2.gz NEHZQGVURXPCKA-UHFFFAOYSA-N 0 0 436.562 4.659 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(C)n1C(C)C ZINC000008726122 569472205 /nfs/dbraw/zinc/47/22/05/569472205.db2.gz YUBPPUSJWZJZDB-UHFFFAOYSA-N 0 0 437.613 4.837 50 0 IJAARN COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1ccccn1 ZINC000008740436 569472831 /nfs/dbraw/zinc/47/28/31/569472831.db2.gz QEUTXHSKPGWBQK-OFNKIYASSA-N 0 0 445.544 4.552 50 0 biogenic IJAARN COc1ccc(Cl)cc1-c1nc(SCc2nc3sc(C)c(C)c3c(N)n2)n[nH]1 ZINC000008747376 569473078 /nfs/dbraw/zinc/47/30/78/569473078.db2.gz QKLIVQCFUKJVRB-UHFFFAOYSA-N 0 0 432.962 4.630 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000008747884 569473190 /nfs/dbraw/zinc/47/31/90/569473190.db2.gz USSSTEGPOFIBRQ-GFCCVEGCSA-N 0 0 442.894 4.631 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 ZINC000008750400 569473326 /nfs/dbraw/zinc/47/33/26/569473326.db2.gz VWFUWLIAOAULEP-FQEVSTJZSA-N 0 0 433.537 4.530 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755508 569473961 /nfs/dbraw/zinc/47/39/61/569473961.db2.gz TZNNDWQBSGSAGF-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000008758629 569474208 /nfs/dbraw/zinc/47/42/08/569474208.db2.gz MQUITKWKCIGAKW-LBPRGKRZSA-N 0 0 446.326 4.821 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)[C@](C)(CC)Cc1ccccc1-2 ZINC000008769712 569475069 /nfs/dbraw/zinc/47/50/69/569475069.db2.gz VXMACXNDRZMLNQ-RUZDIDTESA-N 0 0 433.577 4.885 50 0 IJAARN CCc1ccc([C@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789222 569475937 /nfs/dbraw/zinc/47/59/37/569475937.db2.gz DXLRHAQUORYXON-DFHRPNOPSA-N 0 0 443.591 4.808 50 0 biogenic IJAARN CC(C)CCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789816 569475962 /nfs/dbraw/zinc/47/59/62/569475962.db2.gz CERDYJKHTQAUCM-FNZWTVRRSA-N 0 0 449.982 4.899 50 0 biogenic IJAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)oc3c2C)c1C ZINC000008791506 569476227 /nfs/dbraw/zinc/47/62/27/569476227.db2.gz AFEMWNSNTGGGCS-UHFFFAOYSA-N 0 0 433.460 4.725 50 0 biogenic IJAARN COc1cccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)c1 ZINC000008791377 569476234 /nfs/dbraw/zinc/47/62/34/569476234.db2.gz DZZIXNNHOHIZAO-UHFFFAOYSA-N 0 0 431.488 4.594 50 0 biogenic IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1c[nH]cn1)occ3-c1ccccc1 ZINC000008791887 569476308 /nfs/dbraw/zinc/47/63/08/569476308.db2.gz OVYVAFFIMSUHTQ-UHFFFAOYSA-N 0 0 441.487 4.529 50 0 biogenic IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3ccccc3)C[C@H]21 ZINC000008798550 569476378 /nfs/dbraw/zinc/47/63/78/569476378.db2.gz FSVWNQLCSOQJAQ-HYBUGGRVSA-N 0 0 431.879 4.697 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3cccs3)C[C@H]21 ZINC000008798549 569476402 /nfs/dbraw/zinc/47/64/02/569476402.db2.gz IFZHYUKJCNCGHH-VGSWGCGISA-N 0 0 437.908 4.759 50 0 IJAARN Cc1cccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)c1C ZINC000008813401 569476649 /nfs/dbraw/zinc/47/66/49/569476649.db2.gz BHIHNQQLALRQFW-UHFFFAOYSA-N 0 0 431.923 4.780 50 0 IJAARN Cc1ccc(CN2CN(S(=O)(=O)c3ccc(C)cc3C)c3nc4ccccc4nc32)cc1 ZINC000008828369 569477823 /nfs/dbraw/zinc/47/78/23/569477823.db2.gz LWFQOQDJIQAVLP-UHFFFAOYSA-N 0 0 444.560 4.728 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000008845161 569478727 /nfs/dbraw/zinc/47/87/27/569478727.db2.gz KAWDGYDMZDLWPI-XMMPIXPASA-N 0 0 443.478 4.989 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845423 569478877 /nfs/dbraw/zinc/47/88/77/569478877.db2.gz KJMSWSSEZZKBIC-RUZDIDTESA-N 0 0 440.503 4.712 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 ZINC000008852947 569479533 /nfs/dbraw/zinc/47/95/33/569479533.db2.gz IKBFPEIDBPPQEN-UHFFFAOYSA-N 0 0 425.579 4.980 50 0 IJAARN COc1cc(CSc2nc(CC(=O)N3CCc4ccccc43)cs2)cc(OC)c1 ZINC000008853690 569479576 /nfs/dbraw/zinc/47/95/76/569479576.db2.gz OGVMKYPODMYFPO-UHFFFAOYSA-N 0 0 426.563 4.584 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000008861723 569480017 /nfs/dbraw/zinc/48/00/17/569480017.db2.gz VFVNHOGBUKAMHL-CYBMUJFWSA-N 0 0 438.380 4.959 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)c1 ZINC000008871415 569480776 /nfs/dbraw/zinc/48/07/76/569480776.db2.gz KDOXYKOMLWZQTR-HUUCEWRRSA-N 0 0 430.335 4.759 50 0 IJAARN Cc1nc2ccccc2nc1COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000039547069 569481723 /nfs/dbraw/zinc/48/17/23/569481723.db2.gz FYDGOASUBKORFA-SFHVURJKSA-N 0 0 447.438 4.503 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)S[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000040018159 569482617 /nfs/dbraw/zinc/48/26/17/569482617.db2.gz UHKQLUGNULTMOV-UONOGXRCSA-N 0 0 442.976 4.981 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008893485 569483588 /nfs/dbraw/zinc/48/35/88/569483588.db2.gz JOSBLUQENNGDFP-QGZVFWFLSA-N 0 0 430.533 4.656 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000008900515 569484104 /nfs/dbraw/zinc/48/41/04/569484104.db2.gz JWBJNJSTDGWOGK-KBPBESRZSA-N 0 0 425.579 4.993 50 0 IJAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000008913137 569485207 /nfs/dbraw/zinc/48/52/07/569485207.db2.gz VRBFWYHHTUAKKS-UHFFFAOYSA-N 0 0 436.512 4.818 50 0 IJAARN COc1cccc([C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)c1 ZINC000040071227 569485716 /nfs/dbraw/zinc/48/57/16/569485716.db2.gz RRAYDFHLEBPKRC-RTWAWAEBSA-N 0 0 426.948 4.868 50 0 IJAARN COc1cccc([C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)c1 ZINC000040071226 569485726 /nfs/dbraw/zinc/48/57/26/569485726.db2.gz RRAYDFHLEBPKRC-SFTDATJTSA-N 0 0 426.948 4.868 50 0 IJAARN Cc1cc(C)c2c(c1)oc1c(c2=O)[C@H](c2cccc(Oc3ccccc3)c2)N(CCO)C1=O ZINC000008917313 569486011 /nfs/dbraw/zinc/48/60/11/569486011.db2.gz BXFVZQQBXQFDBJ-DEOSSOPVSA-N 0 0 441.483 4.740 50 0 IJAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000008917514 569486015 /nfs/dbraw/zinc/48/60/15/569486015.db2.gz CNTZKHKJILTGHO-UHFFFAOYSA-N 0 0 437.805 4.556 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000040080843 569486572 /nfs/dbraw/zinc/48/65/72/569486572.db2.gz UICAZWJDBOTUSS-FZKQIMNGSA-N 0 0 425.019 4.747 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)ccc2s1 ZINC000040082378 569486675 /nfs/dbraw/zinc/48/66/75/569486675.db2.gz GSHSQJXRXXCGAU-FQEVSTJZSA-N 0 0 434.517 4.981 50 0 IJAARN COc1cc(CN[C@@H](c2nccn2C)c2ccccc2F)cc(Cl)c1OC(F)F ZINC000040091397 569487523 /nfs/dbraw/zinc/48/75/23/569487523.db2.gz OIPPSINEJBPKFN-QGZVFWFLSA-N 0 0 425.838 4.702 50 0 IJAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])c1 ZINC000008932528 569487653 /nfs/dbraw/zinc/48/76/53/569487653.db2.gz ZFMWHNWGDNNLKH-UHFFFAOYSA-N 0 0 430.907 4.942 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)N3CCc4ccccc4C3)nc(=O)c12 ZINC000008939064 569488267 /nfs/dbraw/zinc/48/82/67/569488267.db2.gz AIALNIVXMUTOMR-AWEZNQCLSA-N 0 0 441.622 4.559 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000008939481 569488313 /nfs/dbraw/zinc/48/83/13/569488313.db2.gz PZUOKHHPDUGRRY-IBGZPJMESA-N 0 0 428.558 4.689 50 0 IJAARN O=C([C@@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1)N1CCCC1 ZINC000008943012 569488750 /nfs/dbraw/zinc/48/87/50/569488750.db2.gz JLRCBSLLNWZVTD-KRWDZBQOSA-N 0 0 444.354 4.955 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008945579 569489088 /nfs/dbraw/zinc/48/90/88/569489088.db2.gz QDMVIUULJRWARQ-MRXNPFEDSA-N 0 0 436.606 4.744 50 0 IJAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccnc3)C[C@H]21 ZINC000008951756 569489960 /nfs/dbraw/zinc/48/99/60/569489960.db2.gz KCIHHYYDCRDIMW-CJFMBICVSA-N 0 0 431.492 4.740 50 0 IJAARN COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc32)cc1OC ZINC000008955742 569490150 /nfs/dbraw/zinc/49/01/50/569490150.db2.gz RWAGLEJDBCEYAF-UHFFFAOYSA-N 0 0 445.903 4.686 50 0 IJAARN CCCN1c2ccc(NC(=O)c3cccc(Br)c3)cc2OCC(C)(C)C1=O ZINC000008958924 569490237 /nfs/dbraw/zinc/49/02/37/569490237.db2.gz FTJRPZLQORJHAV-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccc(Br)cc3)cc2OCC(C)(C)C1=O ZINC000008958926 569490246 /nfs/dbraw/zinc/49/02/46/569490246.db2.gz JCWARLROJYQDEA-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c(OC)c1 ZINC000008959981 569490342 /nfs/dbraw/zinc/49/03/42/569490342.db2.gz WONBAOPUVAOKHC-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)c1=S ZINC000040139220 569490855 /nfs/dbraw/zinc/49/08/55/569490855.db2.gz BWHVSBALYOGAJK-KBXCAEBGSA-N 0 0 441.988 4.580 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)Cc3ccccc3Cl)ccc1O2 ZINC000008961348 569490982 /nfs/dbraw/zinc/49/09/82/569490982.db2.gz VVAGJRMKDCSSTN-UHFFFAOYSA-N 0 0 428.897 4.948 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NC[C@@H](C)c1ccccc1 ZINC000008965355 569491430 /nfs/dbraw/zinc/49/14/30/569491430.db2.gz NFUFGKYQYAPISS-LJQANCHMSA-N 0 0 442.563 4.504 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008965865 569491531 /nfs/dbraw/zinc/49/15/31/569491531.db2.gz JPPYKQJFNSHLIQ-UHFFFAOYSA-N 0 0 430.533 4.886 50 0 IJAARN C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NCc1ccccc1 ZINC000008965897 569491541 /nfs/dbraw/zinc/49/15/41/569491541.db2.gz XTFIMJHDXLICIB-SFHVURJKSA-N 0 0 446.551 4.794 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc2ncccc21 ZINC000040140635 569491600 /nfs/dbraw/zinc/49/16/00/569491600.db2.gz UXCHAKIQUYPWEW-UHFFFAOYSA-N 0 0 425.414 4.632 50 0 IJAARN Cc1ccc(-n2nnc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)c2C(C)C)cc1 ZINC000040143307 569491904 /nfs/dbraw/zinc/49/19/04/569491904.db2.gz WCEVAOKLUYYHNI-UHFFFAOYSA-N 0 0 429.524 4.860 50 0 IJAARN COc1cc([C@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1OCc1ccncc1 ZINC000040145824 569492139 /nfs/dbraw/zinc/49/21/39/569492139.db2.gz IZCZTVWUPFASLS-SFHVURJKSA-N 0 0 442.519 4.720 50 0 IJAARN COc1cc([C@@H](C)NC(=O)Cc2csc(C(C)C)n2)ccc1OCc1ccncc1 ZINC000040145833 569492231 /nfs/dbraw/zinc/49/22/31/569492231.db2.gz GFEYJPQFGAYLDJ-MRXNPFEDSA-N 0 0 425.554 4.669 50 0 IJAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC(N2CCCc3ccccc32)CC1 ZINC000040150172 569493152 /nfs/dbraw/zinc/49/31/52/569493152.db2.gz YINORHFMVDEXET-UHFFFAOYSA-N 0 0 444.554 4.558 50 0 IJAARN COc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000040154989 569493811 /nfs/dbraw/zinc/49/38/11/569493811.db2.gz KELUACAJTXBTPY-QFIPXVFZSA-N 0 0 444.300 4.881 50 0 IJAARN COc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1Br ZINC000040156951 569494214 /nfs/dbraw/zinc/49/42/14/569494214.db2.gz RAJZVSCUXXWRNG-FPOVZHCZSA-N 0 0 436.321 4.566 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Cl ZINC000008983374 569494629 /nfs/dbraw/zinc/49/46/29/569494629.db2.gz MKTPVHNVIQWECF-UHFFFAOYSA-N 0 0 436.867 4.696 50 0 IJAARN C[C@@H](COc1ccccc1)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008983385 569494632 /nfs/dbraw/zinc/49/46/32/569494632.db2.gz HSEMBEHQNRVZQW-XHFXOGKZSA-N 0 0 442.540 4.551 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000040161873 569495169 /nfs/dbraw/zinc/49/51/69/569495169.db2.gz HACBFCFDVHZRMJ-UHFFFAOYSA-N 0 0 444.365 4.768 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1cccnc1)occ3-c1ccc(F)cc1 ZINC000008995586 569495716 /nfs/dbraw/zinc/49/57/16/569495716.db2.gz SNKCYWYZFZURRM-UHFFFAOYSA-N 0 0 442.446 4.908 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c(Cl)c1 ZINC000009011062 569496519 /nfs/dbraw/zinc/49/65/19/569496519.db2.gz GUAUKTOANHQXKJ-UHFFFAOYSA-N 0 0 439.924 4.730 50 0 IJAARN COc1cccc(C(=O)Oc2ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc3c2)c1 ZINC000009042832 569497776 /nfs/dbraw/zinc/49/77/76/569497776.db2.gz VHKXLVCOXWAIBQ-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN COc1ccccc1-c1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)o1 ZINC000009053256 569498799 /nfs/dbraw/zinc/49/87/99/569498799.db2.gz HCHVXNDRQBVDGE-HXUWFJFHSA-N 0 0 437.546 4.805 50 0 IJAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000009077352 569500359 /nfs/dbraw/zinc/50/03/59/569500359.db2.gz UDZVPGVZBHXBSN-QOCHGBHMSA-N 0 0 434.901 4.624 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000245238841 569500576 /nfs/dbraw/zinc/50/05/76/569500576.db2.gz BOCKYKUTXITFPY-AGTLBBOYSA-N 0 0 433.552 4.911 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)COC)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000040389061 569501000 /nfs/dbraw/zinc/50/10/00/569501000.db2.gz JXWQIZSPTUOKNX-IBGZPJMESA-N 0 0 439.600 4.864 50 0 IJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc3c(c2)OCCO3)N1 ZINC000009090320 569501089 /nfs/dbraw/zinc/50/10/89/569501089.db2.gz RFJMACSDHXUDGW-QHCPKHFHSA-N 0 0 441.512 4.990 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1OC ZINC000009095310 569501330 /nfs/dbraw/zinc/50/13/30/569501330.db2.gz RNVHYTNBANPURM-UHFFFAOYSA-N 0 0 439.556 4.707 50 0 IJAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccccc4F)n3C3CC3)n2)cc1 ZINC000009111824 569502312 /nfs/dbraw/zinc/50/23/12/569502312.db2.gz VDLIZPORSXATSQ-UHFFFAOYSA-N 0 0 448.531 4.531 50 0 IJAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009111708 569502341 /nfs/dbraw/zinc/50/23/41/569502341.db2.gz CZOCTTWUQNRYRT-GOSISDBHSA-N 0 0 430.533 4.966 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccc(C)c(C)c4)nc23)cc1 ZINC000009116921 569503041 /nfs/dbraw/zinc/50/30/41/569503041.db2.gz HAMMRTXRFBRGOH-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5cccc(C)c5)CC4)sc3n2)cc1 ZINC000009117301 569503084 /nfs/dbraw/zinc/50/30/84/569503084.db2.gz HMQZVZBMZMRVHN-UHFFFAOYSA-N 0 0 445.592 4.607 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5cccc(C)c5)C4)sc3n2)cc1 ZINC000009117512 569503161 /nfs/dbraw/zinc/50/31/61/569503161.db2.gz UCTFETHGSOYHEP-NRFANRHFSA-N 0 0 445.592 4.607 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000009117808 569503212 /nfs/dbraw/zinc/50/32/12/569503212.db2.gz ZIZAUIPFTIRIQQ-HSZRJFAPSA-N 0 0 448.526 4.505 50 0 IJAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000009118251 569503267 /nfs/dbraw/zinc/50/32/67/569503267.db2.gz LSCMFCFBIORJCO-UHFFFAOYSA-N 0 0 429.973 4.894 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1 ZINC000009120414 569503905 /nfs/dbraw/zinc/50/39/05/569503905.db2.gz CFMWJWANCGMFCI-UHFFFAOYSA-N 0 0 443.576 4.934 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000009125262 569504581 /nfs/dbraw/zinc/50/45/81/569504581.db2.gz HWTVPPFCXWBLDQ-QGZVFWFLSA-N 0 0 435.907 4.914 50 0 IJAARN Cc1ccccc1-n1cnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000009126237 569504874 /nfs/dbraw/zinc/50/48/74/569504874.db2.gz NBOKOLCBGWGEPV-IBGZPJMESA-N 0 0 440.956 4.543 50 0 IJAARN C[C@H](NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(F)cc1 ZINC000009126809 569505031 /nfs/dbraw/zinc/50/50/31/569505031.db2.gz SNSJPPVOGQRSSE-LBPRGKRZSA-N 0 0 434.334 4.948 50 0 IJAARN COc1ccc(-c2noc(CNC(=O)c3ccccc3SCc3ccccc3)n2)cc1 ZINC000009128776 569505473 /nfs/dbraw/zinc/50/54/73/569505473.db2.gz VVAPTJBNWRATDQ-UHFFFAOYSA-N 0 0 431.517 4.968 50 0 IJAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccc3ccccc3c2)cc1 ZINC000009130576 569506049 /nfs/dbraw/zinc/50/60/49/569506049.db2.gz FSCPIIFZKWTHSB-YWEHKCAJSA-N 0 0 448.478 4.929 50 0 IJAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(=O)N5CCCCC5)c4)no3)CC2=O)cc1C ZINC000040451046 569506438 /nfs/dbraw/zinc/50/64/38/569506438.db2.gz CFLPEOJDTMIYOR-OAQYLSRUSA-N 0 0 444.535 4.500 50 0 IJAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)N=C2SC)cc1 ZINC000040450994 569506449 /nfs/dbraw/zinc/50/64/49/569506449.db2.gz PIANTWKSPPLWII-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN O=S(=O)(NC[C@H](c1c[nH]c2ccccc21)c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000040454385 569506468 /nfs/dbraw/zinc/50/64/68/569506468.db2.gz YREXKKIGRRMJSR-KRWDZBQOSA-N 0 0 446.359 4.980 50 0 IJAARN O=S(=O)(NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000040454387 569506472 /nfs/dbraw/zinc/50/64/72/569506472.db2.gz YREXKKIGRRMJSR-QGZVFWFLSA-N 0 0 446.359 4.980 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3ccc(Cl)cc3)nn2c(C)c1Cc1ccc(Cl)cc1 ZINC000009134032 569506961 /nfs/dbraw/zinc/50/69/61/569506961.db2.gz YEXFQTAOOUFJBS-UHFFFAOYSA-N 0 0 440.334 4.820 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2C1=O ZINC000009134708 569507085 /nfs/dbraw/zinc/50/70/85/569507085.db2.gz RMSZQGMXNRPJRJ-UHFFFAOYSA-N 0 0 432.476 4.657 50 0 IJAARN O=C(COc1ncnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009138688 569507206 /nfs/dbraw/zinc/50/72/06/569507206.db2.gz PIMUZDPXAAHQLU-FQEVSTJZSA-N 0 0 432.867 4.633 50 0 IJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000009139557 569507233 /nfs/dbraw/zinc/50/72/33/569507233.db2.gz PASKRJCYRUXANN-JOCHJYFZSA-N 0 0 427.485 4.947 50 0 IJAARN Cc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3ccccc3C)nc2n1 ZINC000009167158 569509041 /nfs/dbraw/zinc/50/90/41/569509041.db2.gz BGMOXXTUNVHLCJ-UHFFFAOYSA-N 0 0 427.533 4.646 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 ZINC000009168306 569509181 /nfs/dbraw/zinc/50/91/81/569509181.db2.gz RXRMIBJXEFXLDU-UHFFFAOYSA-N 0 0 430.570 4.512 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000009175747 569509701 /nfs/dbraw/zinc/50/97/01/569509701.db2.gz NYSISGHLYBZQBM-KXBFYZLASA-N 0 0 441.984 4.826 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)NC1CCCCC1 ZINC000009176112 569509754 /nfs/dbraw/zinc/50/97/54/569509754.db2.gz OYTVCPSXHMKIMA-OAHLLOKOSA-N 0 0 441.984 4.969 50 0 IJAARN Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)c(C)c1 ZINC000009180114 569509786 /nfs/dbraw/zinc/50/97/86/569509786.db2.gz PIKAGZGACJFQFS-QGZVFWFLSA-N 0 0 442.968 4.821 50 0 IJAARN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccccc1F ZINC000009187286 569510327 /nfs/dbraw/zinc/51/03/27/569510327.db2.gz POLMKLCXIAOWNR-OYKKKHCWSA-N 0 0 439.515 4.907 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OCC ZINC000009194987 569510949 /nfs/dbraw/zinc/51/09/49/569510949.db2.gz NGODDNALUSUTSZ-AWEZNQCLSA-N 0 0 445.903 4.902 50 0 IJAARN Cc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)c1 ZINC000009199362 569511102 /nfs/dbraw/zinc/51/11/02/569511102.db2.gz RHCULFYGHYKJJI-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000009203938 569511258 /nfs/dbraw/zinc/51/12/58/569511258.db2.gz UZCSUSKJZIIYPL-UHFFFAOYSA-N 0 0 427.551 4.506 50 0 IJAARN Cc1n[nH]cc1CN(C(=O)C(C)(C)c1ccccc1F)C(=O)C(C)(C)c1ccccc1F ZINC000069653355 569511475 /nfs/dbraw/zinc/51/14/75/569511475.db2.gz LMINYKPNQPOXFQ-UHFFFAOYSA-N 0 0 439.506 4.807 50 0 IJAARN CCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000009209966 569511638 /nfs/dbraw/zinc/51/16/38/569511638.db2.gz UVVFDEURTSJGNP-UHFFFAOYSA-N 0 0 431.583 4.869 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000009211684 569511857 /nfs/dbraw/zinc/51/18/57/569511857.db2.gz HHVBHZZVDSNGBJ-UHFFFAOYSA-N 0 0 440.862 4.725 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009215811 569512033 /nfs/dbraw/zinc/51/20/33/569512033.db2.gz CLSJSZMKCIYEEX-HXUWFJFHSA-N 0 0 432.501 4.933 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009216814 569512207 /nfs/dbraw/zinc/51/22/07/569512207.db2.gz KVCOCXNGMJTHBW-UHFFFAOYSA-N 0 0 439.610 4.598 50 0 IJAARN Cc1nc(COc2ccc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cc2)cs1 ZINC000009217960 569512343 /nfs/dbraw/zinc/51/23/43/569512343.db2.gz AINOGWJSXXPJIN-UHFFFAOYSA-N 0 0 432.549 4.548 50 0 IJAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009222104 569512648 /nfs/dbraw/zinc/51/26/48/569512648.db2.gz PIEVWPOZMUYBHA-UHFFFAOYSA-N 0 0 448.257 4.719 50 0 IJAARN COc1ccc([C@@H](NC(=O)c2ccccc2SCC(=O)NC(C)C)c2ccccc2)cc1 ZINC000009223954 569513058 /nfs/dbraw/zinc/51/30/58/569513058.db2.gz AWJRJWWOMAPNBO-VWLOTQADSA-N 0 0 448.588 4.831 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc3ncccc32)[C@H]1c1ccc(OC)cc1 ZINC000009223962 569513069 /nfs/dbraw/zinc/51/30/69/569513069.db2.gz HGCNBXRSIAUMIV-SQJMNOBHSA-N 0 0 431.536 4.962 50 0 IJAARN COCCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000009223990 569513070 /nfs/dbraw/zinc/51/30/70/569513070.db2.gz XLMVUJYVSWNLNA-UHFFFAOYSA-N 0 0 441.944 4.511 50 0 IJAARN COc1cc(OC)c(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1Cl ZINC000009227522 569513482 /nfs/dbraw/zinc/51/34/82/569513482.db2.gz GICDHJLSLAEJJD-UHFFFAOYSA-N 0 0 429.904 4.972 50 0 IJAARN O=C(Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)Nc1ccc(F)cc1 ZINC000009234003 569513925 /nfs/dbraw/zinc/51/39/25/569513925.db2.gz SOGYKEKFQXZYTC-UHFFFAOYSA-N 0 0 433.508 4.782 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009236932 569514191 /nfs/dbraw/zinc/51/41/91/569514191.db2.gz QKDPCMDLKYPIAQ-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238292 569514284 /nfs/dbraw/zinc/51/42/84/569514284.db2.gz VQQKSLZENUGXGR-FCHUYYIVSA-N 0 0 441.560 4.905 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238332 569514292 /nfs/dbraw/zinc/51/42/92/569514292.db2.gz DTOMAEGQLGABGB-VQTJNVASSA-N 0 0 449.486 4.621 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238333 569514297 /nfs/dbraw/zinc/51/42/97/569514297.db2.gz DTOMAEGQLGABGB-UXHICEINSA-N 0 0 449.486 4.621 50 0 IJAARN CCCN(CCC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(C)cc1 ZINC000009238678 569514331 /nfs/dbraw/zinc/51/43/31/569514331.db2.gz JVFMSYAGELZABS-SFTDATJTSA-N 0 0 435.597 4.661 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1C ZINC000069720756 569514422 /nfs/dbraw/zinc/51/44/22/569514422.db2.gz QRHGXFCUXNLVFW-UHFFFAOYSA-N 0 0 442.519 4.543 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239426 569514568 /nfs/dbraw/zinc/51/45/68/569514568.db2.gz AHEJWHYLTVOSON-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1CC)S2 ZINC000009239412 569514576 /nfs/dbraw/zinc/51/45/76/569514576.db2.gz ZRVKCPVHHVGXMI-PMACEKPBSA-N 0 0 441.988 4.844 50 0 IJAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccn3)sc2c1 ZINC000009240737 569514641 /nfs/dbraw/zinc/51/46/41/569514641.db2.gz HJOMHGIATDAKIH-HXUWFJFHSA-N 0 0 425.469 4.856 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(C(C)(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009243395 569514855 /nfs/dbraw/zinc/51/48/55/569514855.db2.gz MOOGPXCCGWYOHO-QFIPXVFZSA-N 0 0 439.943 4.579 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2Cc2ccco2)c1 ZINC000009244509 569515078 /nfs/dbraw/zinc/51/50/78/569515078.db2.gz HSHHDMXBCMMICW-UHFFFAOYSA-N 0 0 447.516 4.641 50 0 IJAARN Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000009244593 569515108 /nfs/dbraw/zinc/51/51/08/569515108.db2.gz AFYRDWIOQABQGY-UHFFFAOYSA-N 0 0 431.517 4.578 50 0 IJAARN COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)coc2c1 ZINC000009244589 569515112 /nfs/dbraw/zinc/51/51/12/569515112.db2.gz BDHSCBXQVHVORQ-UHFFFAOYSA-N 0 0 441.789 4.838 50 0 IJAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2cccc(C)c2)C1=O ZINC000009245584 569515392 /nfs/dbraw/zinc/51/53/92/569515392.db2.gz DBELHUMQQHDLKJ-SANMLTNESA-N 0 0 443.503 4.583 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000009245839 569515441 /nfs/dbraw/zinc/51/54/41/569515441.db2.gz TUVFJXHVQZHCCM-IBGZPJMESA-N 0 0 439.899 4.879 50 0 IJAARN COc1ccc(Br)cc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1 ZINC000009250748 569515739 /nfs/dbraw/zinc/51/57/39/569515739.db2.gz BVPXHWBITRSMEC-LJQANCHMSA-N 0 0 444.354 4.727 50 0 IJAARN COCC(=O)N1c2nc(-c3ccc(Cl)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000009250922 569515784 /nfs/dbraw/zinc/51/57/84/569515784.db2.gz LYDGCSWXEFPTIJ-MOPGFXCFSA-N 0 0 428.964 4.810 50 0 biogenic IJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCCCCC2)cc1OC ZINC000009251306 569515810 /nfs/dbraw/zinc/51/58/10/569515810.db2.gz RQCXFYYTUSYCCQ-UHFFFAOYSA-N 0 0 436.508 4.647 50 0 IJAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009254060 569516301 /nfs/dbraw/zinc/51/63/01/569516301.db2.gz TWUCESLDUMGUTQ-UHFFFAOYSA-N 0 0 436.489 4.650 50 0 IJAARN Cn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1ccccc1Cl ZINC000009496520 569541199 /nfs/dbraw/zinc/54/11/99/569541199.db2.gz DKUFUQWNNKJLPQ-UHFFFAOYSA-N 0 0 438.734 4.919 50 0 IJAARN COc1cc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OCc1ccccc1 ZINC000009256393 569516785 /nfs/dbraw/zinc/51/67/85/569516785.db2.gz UQHQPPMAEXIAAR-UHFFFAOYSA-N 0 0 444.531 4.673 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c(C)c1 ZINC000009283326 569518868 /nfs/dbraw/zinc/51/88/68/569518868.db2.gz ZGVUSQBMUMZXDK-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)[C@@H]1C ZINC000009284552 569519091 /nfs/dbraw/zinc/51/90/91/569519091.db2.gz WTLMTPUQLRATSR-QINHECLXSA-N 0 0 439.556 4.558 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(OC)c3)c3ncnn32)cc1 ZINC000009288979 569519476 /nfs/dbraw/zinc/51/94/76/569519476.db2.gz RCRARKSCECOVDH-RPWUZVMVSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3OC)c3ncnn32)cc1 ZINC000009288994 569519493 /nfs/dbraw/zinc/51/94/93/569519493.db2.gz PPLBGACHIJKNBQ-PKTZIBPZSA-N 0 0 440.503 4.677 50 0 IJAARN CC[C@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289161 569519513 /nfs/dbraw/zinc/51/95/13/569519513.db2.gz UDVUBPIPRFJEDY-QGZVFWFLSA-N 0 0 425.941 4.841 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)c1 ZINC000009291290 569519800 /nfs/dbraw/zinc/51/98/00/569519800.db2.gz XRWVUYYXROSLQW-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1 ZINC000009293302 569520166 /nfs/dbraw/zinc/52/01/66/569520166.db2.gz XNMHLVSACAYZRL-HXUWFJFHSA-N 0 0 447.288 4.696 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1OC ZINC000009304568 569521200 /nfs/dbraw/zinc/52/12/00/569521200.db2.gz ONHHWIUNTKAARG-QFIPXVFZSA-N 0 0 444.487 4.621 50 0 IJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Br)cc1 ZINC000009308276 569521471 /nfs/dbraw/zinc/52/14/71/569521471.db2.gz BTFTUTAZKHOYLZ-UHFFFAOYSA-N 0 0 439.338 4.612 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccccc4Cl)C3=O)c2cc1C(C)C ZINC000009316285 569522222 /nfs/dbraw/zinc/52/22/22/569522222.db2.gz AQPKHMLJUSUHKQ-XMMPIXPASA-N 0 0 438.911 4.845 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009332113 569523099 /nfs/dbraw/zinc/52/30/99/569523099.db2.gz KJCJPQFQCIAVQK-HXUWFJFHSA-N 0 0 436.851 4.891 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccccc3OC)s2)cc(OCC)c1OCC ZINC000009346267 569524202 /nfs/dbraw/zinc/52/42/02/569524202.db2.gz FQIVYEGYMGSTSQ-UHFFFAOYSA-N 0 0 443.525 4.662 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc12 ZINC000009348345 569524429 /nfs/dbraw/zinc/52/44/29/569524429.db2.gz SBPANKZPBJJZBM-QFIPXVFZSA-N 0 0 447.531 4.846 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009348899 569524623 /nfs/dbraw/zinc/52/46/23/569524623.db2.gz HESACCWOPXDZNE-UBFVSLLYSA-N 0 0 436.467 4.597 50 0 IJAARN CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000009355219 569525142 /nfs/dbraw/zinc/52/51/42/569525142.db2.gz XWZKBDCQXKWBRS-UHFFFAOYSA-N 0 0 437.931 4.608 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)no1 ZINC000069969041 569525919 /nfs/dbraw/zinc/52/59/19/569525919.db2.gz AWNPAZHYQGBODU-OAHLLOKOSA-N 0 0 448.564 4.590 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000009364282 569526002 /nfs/dbraw/zinc/52/60/02/569526002.db2.gz MQPSOSBFBDNWLX-UHFFFAOYSA-N 0 0 442.610 4.732 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3n2C2CCCCC2)cc1OC ZINC000009365085 569526137 /nfs/dbraw/zinc/52/61/37/569526137.db2.gz FFEZZCLGENNSEI-UHFFFAOYSA-N 0 0 439.581 4.967 50 0 IJAARN COc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000009366805 569526265 /nfs/dbraw/zinc/52/62/65/569526265.db2.gz CDBZBERJLOZXCD-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3Cl)s2)c1 ZINC000009368255 569526633 /nfs/dbraw/zinc/52/66/33/569526633.db2.gz BPIFQQCTRGFTSX-UHFFFAOYSA-N 0 0 436.921 4.622 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)cc1 ZINC000009368633 569526694 /nfs/dbraw/zinc/52/66/94/569526694.db2.gz FRNKPAOIASUPOF-IBGZPJMESA-N 0 0 445.338 4.891 50 0 IJAARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000009373463 569527029 /nfs/dbraw/zinc/52/70/29/569527029.db2.gz YCRRLBPUMFRYGY-UHFFFAOYSA-N 0 0 442.471 4.715 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccc(Br)cc1 ZINC000009381042 569528093 /nfs/dbraw/zinc/52/80/93/569528093.db2.gz CRUACMMMYMKCKY-UHFFFAOYSA-N 0 0 444.148 4.550 50 0 IJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=S)Nc1ccc(I)cc1 ZINC000009382782 569528326 /nfs/dbraw/zinc/52/83/26/569528326.db2.gz XINLIISQBQPVSH-UHFFFAOYSA-N 0 0 449.361 4.918 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(I)cc1 ZINC000009382780 569528353 /nfs/dbraw/zinc/52/83/53/569528353.db2.gz OCPBFTAEFOTZMU-UHFFFAOYSA-N 0 0 435.334 4.610 50 0 IJAARN O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009390335 569528606 /nfs/dbraw/zinc/52/86/06/569528606.db2.gz PJDOULDSVCGHQT-NRFANRHFSA-N 0 0 436.533 4.861 50 0 IJAARN COc1ccc(CNC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 ZINC000009390585 569528682 /nfs/dbraw/zinc/52/86/82/569528682.db2.gz UIRLDYQZLLNQCR-UHFFFAOYSA-N 0 0 440.609 4.946 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)Nc1ccc(F)cc1 ZINC000009391817 569529013 /nfs/dbraw/zinc/52/90/13/569529013.db2.gz REEKTNRWAQWVBS-UHFFFAOYSA-N 0 0 447.535 4.941 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1 ZINC000009403106 569529438 /nfs/dbraw/zinc/52/94/38/569529438.db2.gz KNEULBKHEDJQEU-UHFFFAOYSA-N 0 0 440.521 4.692 50 0 IJAARN O=c1c2nccnc2nc(SCc2ccc(Cl)cc2)n1CCc1c[nH]c2ccccc12 ZINC000009405269 569529833 /nfs/dbraw/zinc/52/98/33/569529833.db2.gz XTUGIGHLKLPRQR-UHFFFAOYSA-N 0 0 447.951 4.856 50 0 IJAARN CCCCOc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408946 569530852 /nfs/dbraw/zinc/53/08/52/569530852.db2.gz PJXBAKDZVSGSIS-DFBJGRDBSA-N 0 0 447.535 4.685 50 0 IJAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009409103 569530884 /nfs/dbraw/zinc/53/08/84/569530884.db2.gz YHZYAYJEHSNMHW-XMMPIXPASA-N 0 0 435.524 4.541 50 0 IJAARN CC(C)CC(=O)N(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000009409992 569531180 /nfs/dbraw/zinc/53/11/80/569531180.db2.gz BJTZIHVILZJQAB-OAHLLOKOSA-N 0 0 444.380 4.815 50 0 IJAARN Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009409892 569531209 /nfs/dbraw/zinc/53/12/09/569531209.db2.gz MCTZLZFKIMMWKZ-UHFFFAOYSA-N 0 0 427.493 4.514 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000009410045 569531279 /nfs/dbraw/zinc/53/12/79/569531279.db2.gz MVXSAIXYPCQKGH-UHFFFAOYSA-N 0 0 428.197 4.810 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000009413778 569531820 /nfs/dbraw/zinc/53/18/20/569531820.db2.gz WJMMOEGQSBAZML-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 ZINC000009431041 569534058 /nfs/dbraw/zinc/53/40/58/569534058.db2.gz ROLQRELERKKPAX-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)N(C)c4cc(Cl)ccc4C)C3)n2)cc1 ZINC000009431616 569534278 /nfs/dbraw/zinc/53/42/78/569534278.db2.gz MFYKDLOWWNTBMQ-QGZVFWFLSA-N 0 0 440.931 4.586 50 0 IJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000009432020 569534338 /nfs/dbraw/zinc/53/43/38/569534338.db2.gz OFSPTIZNBJFQIP-BEFAXECRSA-N 0 0 431.558 4.520 50 0 IJAARN CCc1nnc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2cc3sc(C)cc3n21 ZINC000009442246 569535500 /nfs/dbraw/zinc/53/55/00/569535500.db2.gz MUAZBENDCJFMJE-UHFFFAOYSA-N 0 0 442.566 4.563 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C ZINC000009443362 569535729 /nfs/dbraw/zinc/53/57/29/569535729.db2.gz LVLYSEFDFDAHTR-QFBILLFUSA-N 0 0 437.569 4.831 50 0 IJAARN CCc1ccc(OCc2nnc(S[C@@H]3C[C@H](C)OC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000009448122 569536054 /nfs/dbraw/zinc/53/60/54/569536054.db2.gz CJVCLAWJWVRISO-XGHQBKJUSA-N 0 0 437.565 4.825 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1 ZINC000009448816 569536126 /nfs/dbraw/zinc/53/61/26/569536126.db2.gz OSGXLBSYAHFMIJ-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3cccnc3Cl)c2oc1-c1ccccc1 ZINC000009459333 569536836 /nfs/dbraw/zinc/53/68/36/569536836.db2.gz WIDXSOIOWNTACZ-UHFFFAOYSA-N 0 0 448.862 4.612 50 0 IJAARN C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3Br)n2Cc2ccccc2)C(=O)O1 ZINC000009460277 569536966 /nfs/dbraw/zinc/53/69/66/569536966.db2.gz AXQNEQICQSWDJY-CXAGYDPISA-N 0 0 444.354 4.552 50 0 IJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000009461056 569536984 /nfs/dbraw/zinc/53/69/84/569536984.db2.gz MZGXICYBIOGFRC-YADHBBJMSA-N 0 0 431.858 4.678 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000009463174 569537433 /nfs/dbraw/zinc/53/74/33/569537433.db2.gz XFBDHVGLKZDESA-GOSISDBHSA-N 0 0 429.549 4.816 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)Nc1ccc(F)cc1 ZINC000009465415 569537979 /nfs/dbraw/zinc/53/79/79/569537979.db2.gz LVFDSWNLQHKQSP-UHFFFAOYSA-N 0 0 449.891 4.933 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)N1CCC(C)CC1 ZINC000009468371 569538636 /nfs/dbraw/zinc/53/86/36/569538636.db2.gz 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Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)c1 ZINC000009490539 569540201 /nfs/dbraw/zinc/54/02/01/569540201.db2.gz VHSZIIRRRRGECK-UHFFFAOYSA-N 0 0 432.904 4.518 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000009491423 569540332 /nfs/dbraw/zinc/54/03/32/569540332.db2.gz AUWUSYMJBWNNKW-NRFANRHFSA-N 0 0 444.560 4.872 50 0 IJAARN Cc1sc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)nc1-c1ccccc1 ZINC000009492203 569540518 /nfs/dbraw/zinc/54/05/18/569540518.db2.gz OVMCCTNPKFCDQQ-FQEVSTJZSA-N 0 0 443.528 4.917 50 0 IJAARN COc1ccc(CCNC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000009493274 569540721 /nfs/dbraw/zinc/54/07/21/569540721.db2.gz HLBGBNDXIWFPAI-UHFFFAOYSA-N 0 0 435.574 4.818 50 0 IJAARN Cc1cc(C(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c(C)n1C1CC1 ZINC000009493872 569540819 /nfs/dbraw/zinc/54/08/19/569540819.db2.gz HOAHTSMNIJHIEE-UHFFFAOYSA-N 0 0 444.560 4.928 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)n2CC(C)C)cc1 ZINC000009496460 569541196 /nfs/dbraw/zinc/54/11/96/569541196.db2.gz VNQZMENGEWDQMQ-UHFFFAOYSA-N 0 0 443.573 4.626 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2ccccc21)c1ccccc1 ZINC000009496540 569541203 /nfs/dbraw/zinc/54/12/03/569541203.db2.gz FACNVOFNKDQXAH-KRWDZBQOSA-N 0 0 442.544 4.852 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)n1C ZINC000009496472 569541214 /nfs/dbraw/zinc/54/12/14/569541214.db2.gz PKBKVDOAOCELAW-AWEZNQCLSA-N 0 0 445.386 4.523 50 0 IJAARN CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009507521 569542057 /nfs/dbraw/zinc/54/20/57/569542057.db2.gz WBVHVDIMXRQHMT-UHFFFAOYSA-N 0 0 447.520 4.584 50 0 IJAARN Cc1ccc(Nc2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)s2)cc1 ZINC000009507705 569542129 /nfs/dbraw/zinc/54/21/29/569542129.db2.gz SUKXHVFLRAANQK-UHFFFAOYSA-N 0 0 427.580 4.669 50 0 IJAARN CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000009509486 569542604 /nfs/dbraw/zinc/54/26/04/569542604.db2.gz IZUUWCOGSYKBNX-UHFFFAOYSA-N 0 0 428.533 4.933 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000009510153 569542711 /nfs/dbraw/zinc/54/27/11/569542711.db2.gz YSDCYDQVCJQNIR-INIZCTEOSA-N 0 0 441.984 4.591 50 0 IJAARN O=C(NCCCOC1CCCCC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000009513890 569543149 /nfs/dbraw/zinc/54/31/49/569543149.db2.gz XUORDDAPRQGWLP-UHFFFAOYSA-N 0 0 432.952 4.803 50 0 IJAARN c1csc(Cc2nnc(SCc3nnnn3-c3ccccc3)n2C2CCCCC2)c1 ZINC000009514622 569543204 /nfs/dbraw/zinc/54/32/04/569543204.db2.gz JCCWBEXAQRNMAN-UHFFFAOYSA-N 0 0 437.598 4.704 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009516042 569543375 /nfs/dbraw/zinc/54/33/75/569543375.db2.gz ISZOEYIHQHPKMP-UHFFFAOYSA-N 0 0 436.515 4.978 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000009517615 569543677 /nfs/dbraw/zinc/54/36/77/569543677.db2.gz LSUORQPNWOKYBP-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 ZINC000009518471 569544110 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448.494 4.834 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000009545536 569546128 /nfs/dbraw/zinc/54/61/28/569546128.db2.gz OZIIPDTZMWMPEJ-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN Cc1nn(-c2ccc(C)cc2C)c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1 ZINC000009559084 569546976 /nfs/dbraw/zinc/54/69/76/569546976.db2.gz RJOOPRMSYLERNH-UHFFFAOYSA-N 0 0 438.549 4.726 50 0 IJAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000009562262 569547266 /nfs/dbraw/zinc/54/72/66/569547266.db2.gz DHFYEBMMTWTUEL-UHFFFAOYSA-N 0 0 443.528 4.585 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=S)Nc3cccnc3)c2)c(C)c1 ZINC000009562871 569547348 /nfs/dbraw/zinc/54/73/48/569547348.db2.gz ACOPSPANJGBPSG-UHFFFAOYSA-N 0 0 426.567 4.617 50 0 IJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)N3CCC(C)CC3)ccc2c1=O ZINC000009576190 569548052 /nfs/dbraw/zinc/54/80/52/569548052.db2.gz MLUHDZSSILXXFC-UHFFFAOYSA-N 0 0 437.492 4.621 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CSc1ccc2ccccc2c1 ZINC000009582849 569549216 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ZAWCXCGGSFAPCA-UHFFFAOYSA-N 0 0 449.551 4.944 50 0 IJAARN CC(C)(C)CC(=O)NCC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035946467 518620132 /nfs/dbraw/zinc/62/01/32/518620132.db2.gz WBGSIIUDZOHSCP-FQEVSTJZSA-N 0 0 429.923 4.709 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC(CCc2ccc(OCC)cc2)CC1 ZINC000021470229 518670844 /nfs/dbraw/zinc/67/08/44/518670844.db2.gz LWKDLKNOGFZZAM-FQEVSTJZSA-N 0 0 432.564 4.772 50 0 IJAARN CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000024256152 518751011 /nfs/dbraw/zinc/75/10/11/518751011.db2.gz KRAHZDRKNCJDRM-UHFFFAOYSA-N 0 0 427.854 4.938 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(F)c(F)c4)[nH]c(=O)c23)C1 ZINC000021352494 518947233 /nfs/dbraw/zinc/94/72/33/518947233.db2.gz BKIXRFTWZWSFPY-GFCCVEGCSA-N 0 0 445.535 4.985 50 0 IJAARN CC(=O)NC(=Cc1ccccc1)C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000021763265 519481565 /nfs/dbraw/zinc/48/15/65/519481565.db2.gz ZMTRVGJGMDGJKH-ASSGYOTOSA-N 0 0 427.500 4.948 50 0 IJAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccccc2)c1 ZINC000036000072 519523926 /nfs/dbraw/zinc/52/39/26/519523926.db2.gz AYEBUWXQBRTVMH-UHFFFAOYSA-N 0 0 440.547 4.652 50 0 IJAARN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000012562314 519632561 /nfs/dbraw/zinc/63/25/61/519632561.db2.gz IIWMMWIXNWTAQR-NSHDSACASA-N 0 0 425.838 4.707 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021864925 519653139 /nfs/dbraw/zinc/65/31/39/519653139.db2.gz VJRJMPRQYPEKND-XHNVNVPESA-N 0 0 425.573 4.704 50 0 IJAARN CC(C)CCNC(=O)C(=Cc1cccc(OCc2ccccc2)c1)C(=O)NCCC(C)C ZINC000012311295 519654476 /nfs/dbraw/zinc/65/44/76/519654476.db2.gz BGPGAUZJKPEZNP-UHFFFAOYSA-N 0 0 436.596 4.974 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000035907943 519659593 /nfs/dbraw/zinc/65/95/93/519659593.db2.gz AYAHQWHCPIBVJS-FYYLOGMGSA-N 0 0 445.529 4.735 50 0 IJAARN CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 ZINC000012675462 519696959 /nfs/dbraw/zinc/69/69/59/519696959.db2.gz KRIYFKSMTIHYCP-JOCHJYFZSA-N 0 0 448.544 4.587 50 0 IJAARN CC(C)CCn1c(=O)c2c(ncn2[C@H](C)c2ccccc2)n(-c2ccc(Cl)cc2)c1=O ZINC000034694225 519700664 /nfs/dbraw/zinc/70/06/64/519700664.db2.gz RZQRBTOVXJAJLM-QGZVFWFLSA-N 0 0 436.943 4.658 50 0 IJAARN CC(=O)Nc1ccc(CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000021203099 519717533 /nfs/dbraw/zinc/71/75/33/519717533.db2.gz MRXUNVHFDBWBGK-UHFFFAOYSA-N 0 0 428.414 4.732 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031716 519724489 /nfs/dbraw/zinc/72/44/89/519724489.db2.gz IBAPEULKPJNRAV-MRXNPFEDSA-N 0 0 426.476 4.661 50 0 IJAARN CC(=O)Nc1ccc2c(COC(=O)c3oc4ccccc4c3COC(C)C)cc(=O)oc2c1 ZINC000016045600 519734536 /nfs/dbraw/zinc/73/45/36/519734536.db2.gz PTPKNYDWFROWFJ-UHFFFAOYSA-N 0 0 449.459 4.780 50 0 IJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)c1 ZINC000058183141 519748044 /nfs/dbraw/zinc/74/80/44/519748044.db2.gz KPPNMIXWAWSKAK-KRWDZBQOSA-N 0 0 446.592 4.623 50 0 IJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1 ZINC000021784763 519782129 /nfs/dbraw/zinc/78/21/29/519782129.db2.gz DFQVORMCGJITGC-QGZVFWFLSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC000001105225 519782531 /nfs/dbraw/zinc/78/25/31/519782531.db2.gz SHVRTGSHGGTJNB-UHFFFAOYSA-N 0 0 449.576 4.750 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C2=O ZINC000021852231 519833780 /nfs/dbraw/zinc/83/37/80/519833780.db2.gz SMKGAHJAPXLIIR-XMMPIXPASA-N 0 0 442.991 4.524 50 0 IJAARN CC(C)c1ccccc1-n1c(SC[C@H](O)COc2ccccc2)nnc1-c1cccnc1 ZINC000012544152 519844297 /nfs/dbraw/zinc/84/42/97/519844297.db2.gz XUCJUJJNBYAZJW-HXUWFJFHSA-N 0 0 446.576 4.985 50 0 IJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035865842 519872421 /nfs/dbraw/zinc/87/24/21/519872421.db2.gz XPUSQUWHOKSUFE-MRXNPFEDSA-N 0 0 426.630 4.778 50 0 IJAARN CC(C)c1noc(CSc2nnc(CN3CCCCC3)n2-c2ccc(Cl)cc2)n1 ZINC000012778056 519905512 /nfs/dbraw/zinc/90/55/12/519905512.db2.gz XSMCRDOROUXHOB-UHFFFAOYSA-N 0 0 432.981 4.705 50 0 IJAARN CCCCCC(=O)N(CCOC)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000035774086 519921937 /nfs/dbraw/zinc/92/19/37/519921937.db2.gz RPXSGWOYRPITMC-UHFFFAOYSA-N 0 0 448.604 4.780 50 0 IJAARN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)nn2-c2ccccn2)cc1 ZINC000041156026 520337323 /nfs/dbraw/zinc/33/73/23/520337323.db2.gz OQPNUUVLYLXYAW-UHFFFAOYSA-N 0 0 428.492 4.984 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)C(=O)CC(C)C ZINC000036049427 520373916 /nfs/dbraw/zinc/37/39/16/520373916.db2.gz RSTIFUAWKXYVNX-UHFFFAOYSA-N 0 0 432.568 4.989 50 0 IJAARN CCCOc1ccc(N2C(=O)c3ccccc3N[C@]23c2ccccc2N(CC)C3=O)cc1 ZINC000012411319 520385906 /nfs/dbraw/zinc/38/59/06/520385906.db2.gz ZPHMEQNLOSTUJW-AREMUKBSSA-N 0 0 427.504 4.767 50 0 IJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000012521345 520435256 /nfs/dbraw/zinc/43/52/56/520435256.db2.gz XEQKCKJUMSZFKZ-UHFFFAOYSA-N 0 0 440.565 4.581 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(-c3cccs3)nn2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012640150 520505804 /nfs/dbraw/zinc/50/58/04/520505804.db2.gz MHTKJWYQNHVDRH-MRXNPFEDSA-N 0 0 434.443 4.877 50 0 IJAARN CC1(C)C[C@@H](C(=O)N2CCC(n3c(CCc4ccccc4)nc4cccnc43)CC2)CCO1 ZINC000012246748 520515592 /nfs/dbraw/zinc/51/55/92/520515592.db2.gz OIFZGOFMQPGKDB-NRFANRHFSA-N 0 0 446.595 4.585 50 0 IJAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012536034 520541041 /nfs/dbraw/zinc/54/10/41/520541041.db2.gz BKFNASLJWSRVBF-FQEVSTJZSA-N 0 0 432.542 4.558 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)CCCC3)[C@H]1c1ccc(OC)cc1 ZINC000012691056 520558907 /nfs/dbraw/zinc/55/89/07/520558907.db2.gz JYPQBPJZLVTEED-XMSQKQJNSA-N 0 0 441.597 4.749 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000012805211 520559658 /nfs/dbraw/zinc/55/96/58/520559658.db2.gz ROQCZVPBLSZNHW-VWLOTQADSA-N 0 0 447.604 4.816 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021811804 520564251 /nfs/dbraw/zinc/56/42/51/520564251.db2.gz RNHMBFODMQJPQE-XMMPIXPASA-N 0 0 445.629 4.821 50 0 IJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000012027593 520577739 /nfs/dbraw/zinc/57/77/39/520577739.db2.gz PSVUAQAJHWOWMU-QHCPKHFHSA-N 0 0 438.531 4.671 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000015800270 520633298 /nfs/dbraw/zinc/63/32/98/520633298.db2.gz HKGHSFLSEQPQNR-UNOMPAQXSA-N 0 0 446.956 4.952 50 0 IJAARN CCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OCC)c1OCC ZINC000017307147 520670670 /nfs/dbraw/zinc/67/06/70/520670670.db2.gz SPEMOJKZZATELW-UHFFFAOYSA-N 0 0 446.507 4.845 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(CC)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012643523 520787648 /nfs/dbraw/zinc/78/76/48/520787648.db2.gz UDQGXHGUHIJNKX-FMIVXFBMSA-N 0 0 444.641 4.548 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3C)c(C)o2)cc1 ZINC000012414689 520819380 /nfs/dbraw/zinc/81/93/80/520819380.db2.gz JGCANSYMQNSNLO-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN CCCCOc1ccc(C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 ZINC000017270707 520868843 /nfs/dbraw/zinc/86/88/43/520868843.db2.gz NYORYZCDGGCVDQ-UHFFFAOYSA-N 0 0 434.565 4.918 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O ZINC000021936127 520894591 /nfs/dbraw/zinc/89/45/91/520894591.db2.gz PIARNOIHFZJCTC-PMACEKPBSA-N 0 0 434.565 4.904 50 0 IJAARN CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC)C(=O)O2)cc1OCC ZINC000015913629 520929873 /nfs/dbraw/zinc/92/98/73/520929873.db2.gz AKRIXJCJJHDJJJ-WJDWOHSUSA-N 0 0 446.297 4.600 50 0 IJAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3Cl)cc1)C2=O ZINC000012861864 520964823 /nfs/dbraw/zinc/96/48/23/520964823.db2.gz LZMJNQKTSCBRJO-UHFFFAOYSA-N 0 0 441.915 4.572 50 0 IJAARN CCOC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000012413600 520993798 /nfs/dbraw/zinc/99/37/98/520993798.db2.gz GZYWNKRXPQCTJH-UHFFFAOYSA-N 0 0 447.535 4.905 50 0 IJAARN CCOC(=O)Nc1ccc2c(COc3ccc(Br)cc3F)cc(=O)oc2c1 ZINC000035941823 520995515 /nfs/dbraw/zinc/99/55/15/520995515.db2.gz IIZGSTLQCUHLBB-UHFFFAOYSA-N 0 0 436.233 4.842 50 0 IJAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)c1 ZINC000035729700 521023229 /nfs/dbraw/zinc/02/32/29/521023229.db2.gz LNTOKZYNPNNIHO-OXQOHEQNSA-N 0 0 431.602 4.540 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021105556 521040968 /nfs/dbraw/zinc/04/09/68/521040968.db2.gz KFTRHVSFSWGIQY-HXUWFJFHSA-N 0 0 435.352 4.947 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000012854182 521059094 /nfs/dbraw/zinc/05/90/94/521059094.db2.gz YQZXYWQBEBOBDX-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000015882645 521069456 /nfs/dbraw/zinc/06/94/56/521069456.db2.gz KWGAJVZFVVFPCS-UHFFFAOYSA-N 0 0 443.554 4.620 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)Cc1ccco1 ZINC000036046011 521087342 /nfs/dbraw/zinc/08/73/42/521087342.db2.gz NMGCPSPAGFDIME-UHFFFAOYSA-N 0 0 428.492 4.510 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C)c(F)c4)C3)n2)c1 ZINC000035527734 521220173 /nfs/dbraw/zinc/22/01/73/521220173.db2.gz SHEJAFGSDQUWGV-GOSISDBHSA-N 0 0 436.487 4.552 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2cccc(C)n2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530594 521225838 /nfs/dbraw/zinc/22/58/38/521225838.db2.gz FSUCKCPNBLEZHE-OAQYLSRUSA-N 0 0 445.519 4.523 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)N3CCc4ccccc43)N2C1=O ZINC000021936270 521254498 /nfs/dbraw/zinc/25/44/98/521254498.db2.gz SCWUQOBLBUPZHK-CTNGQTDRSA-N 0 0 446.576 4.546 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2cc(C)ccn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530652 521261941 /nfs/dbraw/zinc/26/19/41/521261941.db2.gz UMSJAJUFFVWVOO-NRFANRHFSA-N 0 0 445.519 4.523 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2ccccc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530683 521262454 /nfs/dbraw/zinc/26/24/54/521262454.db2.gz IEHOKHKBGRXXGL-QFIPXVFZSA-N 0 0 430.504 4.820 50 0 IJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(C)(C)C)C2=O ZINC000012777977 521279795 /nfs/dbraw/zinc/27/97/95/521279795.db2.gz DZKHJHIBRUHHTM-UHFFFAOYSA-N 0 0 427.589 4.840 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(F)c3F)sc2c1 ZINC000021660936 521298562 /nfs/dbraw/zinc/29/85/62/521298562.db2.gz JWPKRSXOCBQOQT-AWEZNQCLSA-N 0 0 440.475 4.941 50 0 IJAARN CCCCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)s1 ZINC000012748597 521326320 /nfs/dbraw/zinc/32/63/20/521326320.db2.gz WKQOJFXEQSNTMF-UHFFFAOYSA-N 0 0 444.582 4.551 50 0 IJAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000035527328 521332271 /nfs/dbraw/zinc/33/22/71/521332271.db2.gz NPRTVZFBDXTXDI-MUUNZHRXSA-N 0 0 442.559 4.667 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000012412265 521348010 /nfs/dbraw/zinc/34/80/10/521348010.db2.gz IRMSFQRVUKKHPK-QGZVFWFLSA-N 0 0 435.229 4.657 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000012904965 521353860 /nfs/dbraw/zinc/35/38/60/521353860.db2.gz BROCZTNJXVFSPI-ZFWWWQNUSA-N 0 0 448.976 4.808 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC(C)C)C(=O)c2ccc(Cl)cc2)c1C ZINC000036003537 521363415 /nfs/dbraw/zinc/36/34/15/521363415.db2.gz PLHRFJRJXMXULB-MRXNPFEDSA-N 0 0 432.948 4.831 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C ZINC000012530345 521375361 /nfs/dbraw/zinc/37/53/61/521375361.db2.gz OJLHBAUMWNHITI-UHFFFAOYSA-N 0 0 431.916 4.700 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(C)c2)c1C ZINC000015862514 521383591 /nfs/dbraw/zinc/38/35/91/521383591.db2.gz NWZRMPDJZCYWPN-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc1 ZINC000017306504 521496320 /nfs/dbraw/zinc/49/63/20/521496320.db2.gz MVKWGGMLUCTZNT-GOSISDBHSA-N 0 0 447.535 4.665 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000033128733 521505983 /nfs/dbraw/zinc/50/59/83/521505983.db2.gz NRIHGCYTDBDDNT-UHFFFAOYSA-N 0 0 429.476 4.710 50 0 IJAARN CCOc1ccccc1N1CCN(C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000012537748 521518256 /nfs/dbraw/zinc/51/82/56/521518256.db2.gz CQDOXWKVXQQDDA-HXUWFJFHSA-N 0 0 447.019 4.732 50 0 IJAARN CCCN(C)c1nc(SCc2ccc(C(=O)NCc3cccnc3)cc2)nc(C)c1C ZINC000036062941 521520755 /nfs/dbraw/zinc/52/07/55/521520755.db2.gz ICKRGINKRFMPHN-UHFFFAOYSA-N 0 0 435.597 4.557 50 0 IJAARN CCOc1ccccc1NC(=O)N(CCC(C)C)Cc1ccc(OS(C)(=O)=O)cc1 ZINC000035776964 521536794 /nfs/dbraw/zinc/53/67/94/521536794.db2.gz BCGJMZLVHMNPAJ-UHFFFAOYSA-N 0 0 434.558 4.504 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258262 521538359 /nfs/dbraw/zinc/53/83/59/521538359.db2.gz CKYXKOPVYIQQQR-UHFFFAOYSA-N 0 0 447.539 4.757 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750452 521543746 /nfs/dbraw/zinc/54/37/46/521543746.db2.gz MZCHJNXYJNUAFQ-CLOONOSVSA-N 0 0 441.535 4.697 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1CC)S2 ZINC000020445690 521572872 /nfs/dbraw/zinc/57/28/72/521572872.db2.gz GJLCHOZKFFWJOZ-FGZHOGPDSA-N 0 0 435.597 4.753 50 0 IJAARN CCOc1cnn(-c2ccc(Cl)cc2)c(=O)c1Nc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000036063695 521600024 /nfs/dbraw/zinc/60/00/24/521600024.db2.gz KXVLLDNUMRQAPM-OAHLLOKOSA-N 0 0 440.931 4.557 50 0 IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385405 521600757 /nfs/dbraw/zinc/60/07/57/521600757.db2.gz CRWWNOZJSTTZCN-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CCOc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n1 ZINC000037385130 521600909 /nfs/dbraw/zinc/60/09/09/521600909.db2.gz WUXNEGBVPIKFLO-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385292 521601757 /nfs/dbraw/zinc/60/17/57/521601757.db2.gz AXDLFZAHNMBGIZ-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cc(C(C)C)no3)cc2c1C ZINC000033086983 521607954 /nfs/dbraw/zinc/60/79/54/521607954.db2.gz ATBIVIMCUSLPJY-SFHVURJKSA-N 0 0 446.525 4.555 50 0 IJAARN CCOC(=O)c1sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)nc(N)c2c1C ZINC000012761802 521618805 /nfs/dbraw/zinc/61/88/05/521618805.db2.gz HBZFXMNMRVBZIK-UHFFFAOYSA-N 0 0 439.368 4.697 50 0 IJAARN CCOC(=O)c1sc2ncnc(Sc3nnc(C)n3-c3ccccc3C)c2c1C ZINC000022081951 521620356 /nfs/dbraw/zinc/62/03/56/521620356.db2.gz ZZMDFZOXGCCXTM-UHFFFAOYSA-N 0 0 425.539 4.525 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1cccc(F)c1 ZINC000012391629 521621066 /nfs/dbraw/zinc/62/10/66/521621066.db2.gz LWIKESVGOKULKX-UHFFFAOYSA-N 0 0 444.528 4.748 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114447 521633853 /nfs/dbraw/zinc/63/38/53/521633853.db2.gz PQLKTBYOCFREOT-UHFFFAOYSA-N 0 0 446.576 4.851 50 0 IJAARN CCCn1c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016982289 521637203 /nfs/dbraw/zinc/63/72/03/521637203.db2.gz YJICQBQOAUMOFA-CYBMUJFWSA-N 0 0 428.945 4.566 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000016902520 521638164 /nfs/dbraw/zinc/63/81/64/521638164.db2.gz CDPJAWDIASQRNL-FQEVSTJZSA-N 0 0 432.568 4.514 50 0 IJAARN CCOCCCN1COc2ccc3c(=O)c(Oc4ccccc4OCC)coc3c2C1 ZINC000012442684 521708791 /nfs/dbraw/zinc/70/87/91/521708791.db2.gz JFEGEQIOGRGDHZ-UHFFFAOYSA-N 0 0 425.481 4.563 50 0 biogenic IJAARN CCc1cccc(NC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)c1 ZINC000032999241 521749342 /nfs/dbraw/zinc/74/93/42/521749342.db2.gz MMGORKFYLKFJOT-UHFFFAOYSA-N 0 0 432.499 4.534 50 0 IJAARN COCCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037385459 521751406 /nfs/dbraw/zinc/75/14/06/521751406.db2.gz UCNXVMSZBMDMHK-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(C)cc2)C2CCCCC2)c(C)n1C ZINC000036025161 521751626 /nfs/dbraw/zinc/75/16/26/521751626.db2.gz UGEALLKDGVFJLU-LJQANCHMSA-N 0 0 438.568 4.783 50 0 IJAARN CCc1cccc(NC(=O)CSc2nnc(-c3nnn(-c4ccc(C)c(C)c4)c3C)o2)c1 ZINC000020848886 521754118 /nfs/dbraw/zinc/75/41/18/521754118.db2.gz UKEAPTZQHZFJIA-UHFFFAOYSA-N 0 0 448.552 4.536 50 0 IJAARN CC[C@@H](C(=O)Nc1nnc(SCc2cc(OC)cc(OC)c2)s1)c1ccccc1 ZINC000035924424 521879007 /nfs/dbraw/zinc/87/90/07/521879007.db2.gz YQQJHJOSJJEVQI-GOSISDBHSA-N 0 0 429.567 4.980 50 0 IJAARN COc1cc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccco3)no2)cc(OC)c1OC ZINC000036012024 521895715 /nfs/dbraw/zinc/89/57/15/521895715.db2.gz HUEQWHUKHISUHT-UHFFFAOYSA-N 0 0 448.475 4.803 50 0 IJAARN COc1cc(-c2nc3cnccn3c2Nc2ccc(C)cc2Br)ccc1O ZINC000035616455 521907249 /nfs/dbraw/zinc/90/72/49/521907249.db2.gz OIWCNUUZDSOEQO-UHFFFAOYSA-N 0 0 425.286 4.925 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000035723989 521972049 /nfs/dbraw/zinc/97/20/49/521972049.db2.gz LIYQJNGJDIBMRE-KSSFIOAISA-N 0 0 442.972 4.950 50 0 IJAARN CC[C@H](C)c1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C(C)C)cc1 ZINC000012799572 522040767 /nfs/dbraw/zinc/04/07/67/522040767.db2.gz FZTYMRLYQJHFSV-HJPURHCSSA-N 0 0 432.586 4.843 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769200 522149701 /nfs/dbraw/zinc/14/97/01/522149701.db2.gz FBVJLLQADBQDNW-UHFFFAOYSA-N 0 0 434.971 4.619 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)ncn3[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000012401960 522158199 /nfs/dbraw/zinc/15/81/99/522158199.db2.gz SXDIOBPXUNFYTO-MRXNPFEDSA-N 0 0 431.492 4.924 50 0 IJAARN COc1cc(C(=O)[C@H](CC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012531187 522174083 /nfs/dbraw/zinc/17/40/83/522174083.db2.gz KDTRURNWJRLJKO-SFHVURJKSA-N 0 0 444.487 4.828 50 0 IJAARN COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)ccc1OCc1ccccc1 ZINC000001113767 522175482 /nfs/dbraw/zinc/17/54/82/522175482.db2.gz QMLCFPJSTJSWEV-UHFFFAOYSA-N 0 0 436.552 4.911 50 0 IJAARN COc1cc(C(C)=O)ccc1Oc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F ZINC000012380081 522179840 /nfs/dbraw/zinc/17/98/40/522179840.db2.gz UHBBUMMXKXAQRW-ONEGZZNKSA-N 0 0 439.405 4.592 50 0 IJAARN CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010036 522199716 /nfs/dbraw/zinc/19/97/16/522199716.db2.gz ZGEMHLWMROVFPN-BZNIZROVSA-N 0 0 441.384 4.713 50 0 IJAARN COc1cc(C)ccc1NC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 ZINC000012444195 522267546 /nfs/dbraw/zinc/26/75/46/522267546.db2.gz SKUQBUWCTPXQGI-UHFFFAOYSA-N 0 0 430.526 4.755 50 0 IJAARN CN(C)c1nc2cc(F)ccc2cc1CN(Cc1ccco1)C(=O)Cc1ccc(F)cc1 ZINC000014973213 522333304 /nfs/dbraw/zinc/33/33/04/522333304.db2.gz RGKMOBZODUCOLT-UHFFFAOYSA-N 0 0 435.474 4.944 50 0 IJAARN CCc1nc(SCc2nc3c(C)cccc3c(=O)[nH]2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012522362 522409217 /nfs/dbraw/zinc/40/92/17/522409217.db2.gz QJJSMYPMRRTQRT-UHFFFAOYSA-N 0 0 437.956 4.779 50 0 IJAARN COc1cc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc(OC)c1 ZINC000035505042 522434339 /nfs/dbraw/zinc/43/43/39/522434339.db2.gz YZRNMRHHTHXDPX-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)NC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035867306 522440769 /nfs/dbraw/zinc/44/07/69/522440769.db2.gz VXSOJTAOLKYTLL-HZPDHXFCSA-N 0 0 443.661 4.960 50 0 IJAARN COc1cc(Cl)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(OC)c1 ZINC000021018945 522528954 /nfs/dbraw/zinc/52/89/54/522528954.db2.gz QDTWADZOFRJLJG-FQEVSTJZSA-N 0 0 436.895 4.567 50 0 IJAARN COc1cc(NC(=O)CC[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc(OC)c1 ZINC000012586637 522654832 /nfs/dbraw/zinc/65/48/32/522654832.db2.gz YRJXMKTYJSEOJZ-QGZVFWFLSA-N 0 0 431.602 4.915 50 0 IJAARN COc1cc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc(OC)c1 ZINC000032950936 522692528 /nfs/dbraw/zinc/69/25/28/522692528.db2.gz YKLWASVUFPMCNS-UHFFFAOYSA-N 0 0 430.508 4.851 50 0 IJAARN CCc1nnc(-c2cn(CC(=O)Nc3cccc(Br)c3)c3ccccc23)o1 ZINC000035423032 522721620 /nfs/dbraw/zinc/72/16/20/522721620.db2.gz OZVSGUNCVWYZAZ-UHFFFAOYSA-N 0 0 425.286 4.655 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4OC)c3)nn12 ZINC000012407116 522806227 /nfs/dbraw/zinc/80/62/27/522806227.db2.gz LFRUQQURNWOMFT-UHFFFAOYSA-N 0 0 427.917 4.638 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccnc4ccccc43)s2)c1 ZINC000014945403 522838415 /nfs/dbraw/zinc/83/84/15/522838415.db2.gz WPQPUYCQZVRBGS-UHFFFAOYSA-N 0 0 438.534 4.501 50 0 IJAARN CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1Cl ZINC000012418862 522902880 /nfs/dbraw/zinc/90/28/80/522902880.db2.gz NOYUUWBZZJNSBH-GOSISDBHSA-N 0 0 427.353 4.550 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(C)C ZINC000021725676 522925131 /nfs/dbraw/zinc/92/51/31/522925131.db2.gz ZZAXJBJTMRKKKK-INIZCTEOSA-N 0 0 448.548 5.000 50 0 IJAARN COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000012344735 522970290 /nfs/dbraw/zinc/97/02/90/522970290.db2.gz LOAAIGOZKRMIOQ-NRFANRHFSA-N 0 0 441.915 4.804 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1sc3nc(-c4ccco4)nc(C)c3c1C)CC2 ZINC000012800221 523029445 /nfs/dbraw/zinc/02/94/45/523029445.db2.gz BUUFXOFFGCZVTB-UHFFFAOYSA-N 0 0 449.532 4.784 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1cccc(F)c1)CC2 ZINC000036042972 523038843 /nfs/dbraw/zinc/03/88/43/523038843.db2.gz INMCRYLDAJHSQZ-WXTAPIANSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(NC(C)=O)s1)CC2 ZINC000012928564 523042856 /nfs/dbraw/zinc/04/28/56/523042856.db2.gz GQZOZDRVKAXZIN-NRFANRHFSA-N 0 0 442.562 4.573 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000012745746 523074049 /nfs/dbraw/zinc/07/40/49/523074049.db2.gz ZVZKENGRQAOJKJ-UHFFFAOYSA-N 0 0 448.544 4.818 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1F ZINC000021935871 523078002 /nfs/dbraw/zinc/07/80/02/523078002.db2.gz NCNOEDRBSONFSS-RTBURBONSA-N 0 0 438.528 4.591 50 0 IJAARN COC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033265483 523095898 /nfs/dbraw/zinc/09/58/98/523095898.db2.gz LUIOBAMZOYOYGG-QHCPKHFHSA-N 0 0 449.576 4.595 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(C)cc1C ZINC000023119025 523103518 /nfs/dbraw/zinc/10/35/18/523103518.db2.gz ROTGNHIHIHYHOK-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(Cc2cccs2)CO4)cc1OC ZINC000020713911 523121043 /nfs/dbraw/zinc/12/10/43/523121043.db2.gz MBLUSSHKONQICR-UHFFFAOYSA-N 0 0 435.501 4.891 50 0 IJAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1OC ZINC000012442253 523162380 /nfs/dbraw/zinc/16/23/80/523162380.db2.gz BKONSYZDSMUIJI-UHFFFAOYSA-N 0 0 438.484 4.713 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cs2)cc1OC ZINC000012547199 523191477 /nfs/dbraw/zinc/19/14/77/523191477.db2.gz KFYJAEBQRWXNBY-HNNXBMFYSA-N 0 0 434.521 4.504 50 0 IJAARN CC[C@H]1CCc2sc(C(=O)OCc3nnc(C(=O)Nc4ccccc4)s3)cc2C1 ZINC000012796611 523209205 /nfs/dbraw/zinc/20/92/05/523209205.db2.gz LIDDQSKGEVPSLP-ZDUSSCGKSA-N 0 0 427.551 4.724 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 ZINC000000669378 523232002 /nfs/dbraw/zinc/23/20/02/523232002.db2.gz VVVSGRFPPCZNCN-UHFFFAOYSA-N 0 0 426.472 4.878 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4F)CC3)n2)cc1OC ZINC000020806729 523232099 /nfs/dbraw/zinc/23/20/99/523232099.db2.gz CHDMSTYPWGTFER-UHFFFAOYSA-N 0 0 444.510 4.780 50 0 IJAARN CCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccc2c(c1)OCCCO2 ZINC000035453963 523232971 /nfs/dbraw/zinc/23/29/71/523232971.db2.gz WJLDHPISKUMUMF-UHFFFAOYSA-N 0 0 448.548 4.891 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nnc(C(C)(C)C)n3N)ccc21 ZINC000021740733 523277174 /nfs/dbraw/zinc/27/71/74/523277174.db2.gz VMCIYLPYUKLWRZ-AWEZNQCLSA-N 0 0 436.585 4.537 50 0 IJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)n2)cc1 ZINC000020900042 523277508 /nfs/dbraw/zinc/27/75/08/523277508.db2.gz CPFZXACESMFKAN-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN CCn1cc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c(C)n1 ZINC000020607435 523298907 /nfs/dbraw/zinc/29/89/07/523298907.db2.gz WWLLJGZSRCRUJL-UHFFFAOYSA-N 0 0 440.476 4.554 50 0 IJAARN COc1ccc(-n2c(=O)c3c(nc2SCc2cccc(Cl)c2)CCS3)cc1OC ZINC000012140708 523309924 /nfs/dbraw/zinc/30/99/24/523309924.db2.gz SAVLBMMYZYXWGT-UHFFFAOYSA-N 0 0 446.981 4.844 50 0 IJAARN COc1ccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2cccs2)cc1 ZINC000012371052 523320756 /nfs/dbraw/zinc/32/07/56/523320756.db2.gz SVPSSPJKDKEUKI-UHFFFAOYSA-N 0 0 428.583 4.545 50 0 IJAARN COc1ccc(-n2c(SC[C@@H](O)COC(C)(C)C)nnc2-c2ccccc2Cl)cc1 ZINC000012517078 523322380 /nfs/dbraw/zinc/32/23/80/523322380.db2.gz UOECOHJKIIVGGQ-INIZCTEOSA-N 0 0 447.988 4.864 50 0 IJAARN COc1ccc(-n2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000020508842 523326119 /nfs/dbraw/zinc/32/61/19/523326119.db2.gz SPIOAWZXWZAMQQ-UHFFFAOYSA-N 0 0 432.907 4.625 50 0 biogenic IJAARN COc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1 ZINC000012415653 523353630 /nfs/dbraw/zinc/35/36/30/523353630.db2.gz KJRIKYSDUYWOIU-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884031 523418516 /nfs/dbraw/zinc/41/85/16/523418516.db2.gz TYWRVZCKWUJPHG-OAQYLSRUSA-N 0 0 438.524 4.768 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883994 523418537 /nfs/dbraw/zinc/41/85/37/523418537.db2.gz IWVJDAOXXCSXGA-HSZRJFAPSA-N 0 0 432.495 4.707 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909349 523421494 /nfs/dbraw/zinc/42/14/94/523421494.db2.gz PIKWNFZSHDDNDL-HXUWFJFHSA-N 0 0 438.524 4.882 50 0 IJAARN CC[C@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000021890004 523438564 /nfs/dbraw/zinc/43/85/64/523438564.db2.gz QPWHQAPWYVFDSV-FQEVSTJZSA-N 0 0 447.491 4.549 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)Cc3csc(-c4ccsc4)n3)CC2)cc1 ZINC000012741925 523574380 /nfs/dbraw/zinc/57/43/80/523574380.db2.gz JXSUTASZCWRNME-UHFFFAOYSA-N 0 0 426.563 4.544 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)c2ccccc12 ZINC000012866160 523621778 /nfs/dbraw/zinc/62/17/78/523621778.db2.gz NZODJOTYWBGCBB-QGZVFWFLSA-N 0 0 434.511 4.717 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4cccc(C)c4)c3)C2)cc1 ZINC000033034712 523635452 /nfs/dbraw/zinc/63/54/52/523635452.db2.gz BKCXTDWPBHBRDC-RUZDIDTESA-N 0 0 442.559 4.953 50 0 biogenic IJAARN CCc1c(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cnn1-c1cccc(Cl)c1 ZINC000024636375 523681904 /nfs/dbraw/zinc/68/19/04/523681904.db2.gz QYATXYPNEGODLG-UHFFFAOYSA-N 0 0 433.943 4.605 50 0 IJAARN CCc1c(C)sc2nc(SCC(=O)N[C@@H](C)CC)n(-c3cccc(C)c3)c(=O)c12 ZINC000012775814 523720390 /nfs/dbraw/zinc/72/03/90/523720390.db2.gz VRUAGBQYMWJDJW-AWEZNQCLSA-N 0 0 429.611 4.633 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C(C)C ZINC000035972709 523738797 /nfs/dbraw/zinc/73/87/97/523738797.db2.gz IEDYWXVHCGSSQT-UHFFFAOYSA-N 0 0 437.540 4.613 50 0 IJAARN COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000012581759 523760825 /nfs/dbraw/zinc/76/08/25/523760825.db2.gz AEYOFHYALBYQJX-UHFFFAOYSA-N 0 0 447.539 4.630 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC000035769055 523763392 /nfs/dbraw/zinc/76/33/92/523763392.db2.gz PFUNKMRFPKCZEX-VWLOTQADSA-N 0 0 442.607 4.835 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035447769 523831811 /nfs/dbraw/zinc/83/18/11/523831811.db2.gz WZQGUZYKUWOZCT-UHFFFAOYSA-N 0 0 447.514 4.688 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000021156869 523835853 /nfs/dbraw/zinc/83/58/53/523835853.db2.gz PPXZUCXSDAKDBR-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN CCc1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cs2)cc1 ZINC000015639170 523858620 /nfs/dbraw/zinc/85/86/20/523858620.db2.gz ZFLXDUMAMHGVTJ-SFHVURJKSA-N 0 0 435.549 4.534 50 0 IJAARN COc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)c(Br)c1 ZINC000020616086 523873131 /nfs/dbraw/zinc/87/31/31/523873131.db2.gz VRQYISLAJHVZTO-NVNXTCNLSA-N 0 0 437.087 4.565 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)C(C)C)C2)cc1 ZINC000035944426 523880040 /nfs/dbraw/zinc/88/00/40/523880040.db2.gz MZBRFYGSOXWTRN-HXUWFJFHSA-N 0 0 434.458 4.892 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cc(C)ccc3C)CC2)cc1 ZINC000035887472 523887334 /nfs/dbraw/zinc/88/73/34/523887334.db2.gz DODJXKBBPGSCQT-UHFFFAOYSA-N 0 0 442.607 4.826 50 0 IJAARN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012690411 523899922 /nfs/dbraw/zinc/89/99/22/523899922.db2.gz QDIZFYOKBICCEE-UHFFFAOYSA-N 0 0 436.533 4.586 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168876 523938446 /nfs/dbraw/zinc/93/84/46/523938446.db2.gz JYFPBSGFJZFJCH-OAQYLSRUSA-N 0 0 432.593 4.723 50 0 IJAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1cccc(F)c1 ZINC000036008993 523942080 /nfs/dbraw/zinc/94/20/80/523942080.db2.gz LXRKPXMHQGXRFI-AWEZNQCLSA-N 0 0 427.925 4.649 50 0 IJAARN CN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000012536161 523944368 /nfs/dbraw/zinc/94/43/68/523944368.db2.gz WLDOXTKQYQKUEU-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810910 523963973 /nfs/dbraw/zinc/96/39/73/523963973.db2.gz BCMWHFHBAOEDBU-QVTSAQFISA-N 0 0 433.552 4.911 50 0 IJAARN COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000022504540 523965443 /nfs/dbraw/zinc/96/54/43/523965443.db2.gz AWLYVNIMBIINBH-UHFFFAOYSA-N 0 0 435.549 4.714 50 0 IJAARN COc1ccc(CCNC(=O)c2cn3cc(-c4ccc(Cl)cc4)ccc3n2)cc1OC ZINC000034831054 523971803 /nfs/dbraw/zinc/97/18/03/523971803.db2.gz DMUQXEAJAJXSIL-UHFFFAOYSA-N 0 0 435.911 4.644 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000020559353 523975690 /nfs/dbraw/zinc/97/56/90/523975690.db2.gz UEKRSJSTNYJVGD-HXUWFJFHSA-N 0 0 427.932 4.724 50 0 IJAARN COc1ccc(CCNc2nc3nn(-c4ccccc4)c(N)c3c(-c3ccccc3)n2)cc1 ZINC000035929365 523979502 /nfs/dbraw/zinc/97/95/02/523979502.db2.gz WXUVUYDQEZQWJK-UHFFFAOYSA-N 0 0 436.519 4.728 50 0 IJAARN CCc1ccc(Nc2nc(C(=O)NCc3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC000035430085 523996927 /nfs/dbraw/zinc/99/69/27/523996927.db2.gz XCQKGPWLPMNKDL-UHFFFAOYSA-N 0 0 442.519 4.883 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(OC)c1OC ZINC000023570822 523999586 /nfs/dbraw/zinc/99/95/86/523999586.db2.gz QTVVZKGWPHBITC-UHFFFAOYSA-N 0 0 445.519 4.632 50 0 IJAARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F ZINC000058158136 524009908 /nfs/dbraw/zinc/00/99/08/524009908.db2.gz KMCUPSMKHMSOSX-QGZVFWFLSA-N 0 0 439.556 4.981 50 0 IJAARN CCc1ccc([C@@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2cccc(F)c2)cc1 ZINC000012622400 524033088 /nfs/dbraw/zinc/03/30/88/524033088.db2.gz WHAOGNNCWVRECX-RUZDIDTESA-N 0 0 447.510 4.521 50 0 IJAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000035530098 524045812 /nfs/dbraw/zinc/04/58/12/524045812.db2.gz SLKCXJQYVZPSRT-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1c2sc(C)c(C)c2c(NC(C)=O)c1C(=O)OC ZINC000021161167 524063944 /nfs/dbraw/zinc/06/39/44/524063944.db2.gz PATABVSBIRHAHA-UHFFFAOYSA-N 0 0 441.553 4.574 50 0 IJAARN COc1ccc(CNc2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n2)cc1 ZINC000021035883 524107337 /nfs/dbraw/zinc/10/73/37/524107337.db2.gz JCCPCGQETHIMJE-UHFFFAOYSA-N 0 0 432.402 4.557 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1 ZINC000021353877 524124374 /nfs/dbraw/zinc/12/43/74/524124374.db2.gz BIIQTACIRJGFCB-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN Cc1cccc(-c2noc(-c3cccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)c3)n2)c1 ZINC000021792277 524129660 /nfs/dbraw/zinc/12/96/60/524129660.db2.gz QFQIEOVULYIADS-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN COc1ccc(CSc2nnc(NC(=O)c3cccc(Br)c3)s2)cc1 ZINC000035924449 524130698 /nfs/dbraw/zinc/13/06/98/524130698.db2.gz XQQGAFBZCQBLMW-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN COc1cccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928001 524131140 /nfs/dbraw/zinc/13/11/40/524131140.db2.gz GMCHREJIGCMMKM-BJKOFHAPSA-N 0 0 430.479 4.916 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000035355445 524155922 /nfs/dbraw/zinc/15/59/22/524155922.db2.gz RZSAUGMTKJPKCV-QHCPKHFHSA-N 0 0 433.577 4.503 50 0 IJAARN COc1cccc([C@H]2CCCN2C(=O)c2cc(COc3cccc4cnccc43)on2)c1 ZINC000012300849 524178119 /nfs/dbraw/zinc/17/81/19/524178119.db2.gz HRGCGGQQIJDGII-HSZRJFAPSA-N 0 0 429.476 4.788 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3n[nH]c(C)c32)c1OCc1ccccc1Cl ZINC000021788381 524187419 /nfs/dbraw/zinc/18/74/19/524187419.db2.gz MAFXEAZKRGHXKC-HXUWFJFHSA-N 0 0 429.929 4.734 50 0 IJAARN Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)s2)c1 ZINC000021099265 524223386 /nfs/dbraw/zinc/22/33/86/524223386.db2.gz LQZNIZNVZFXJLR-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccccc31)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000012193344 524246892 /nfs/dbraw/zinc/24/68/92/524246892.db2.gz YBCHQPJTKSIVRH-YKSBVNFPSA-N 0 0 431.879 4.697 50 0 IJAARN COc1cccc2cc(C(=O)N(CCn3cccn3)c3nc4c(cccc4F)s3)oc21 ZINC000023144879 524257604 /nfs/dbraw/zinc/25/76/04/524257604.db2.gz IDXVWNADHDGNSQ-UHFFFAOYSA-N 0 0 436.468 4.734 50 0 IJAARN COc1ccc(F)c(CN2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)c1 ZINC000012281633 524273796 /nfs/dbraw/zinc/27/37/96/524273796.db2.gz XWRUXVUUXXTFPV-SANMLTNESA-N 0 0 437.511 4.515 50 0 IJAARN COc1ccccc1-c1nc(Cn2nnc(-c3nc(-c4ccc(C)cc4)no3)c2C)c(C)o1 ZINC000033296947 524280070 /nfs/dbraw/zinc/28/00/70/524280070.db2.gz SCIOWANIXUCFKC-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)c(C)c1 ZINC000020954696 524319759 /nfs/dbraw/zinc/31/97/59/524319759.db2.gz STURFYBUYRWVND-QHCPKHFHSA-N 0 0 440.634 4.751 50 0 IJAARN Cc1cc(C)c2[nH]c(CSc3nnc(NC(=O)C4CCCCC4)s3)cc(=O)c2c1 ZINC000021099246 524340217 /nfs/dbraw/zinc/34/02/17/524340217.db2.gz LPGISBGJCJSMEM-UHFFFAOYSA-N 0 0 428.583 4.808 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)NCc2ccccc2)C1 ZINC000035836082 524374281 /nfs/dbraw/zinc/37/42/81/524374281.db2.gz VNDJGTYUOQWLRB-JOCHJYFZSA-N 0 0 429.520 4.600 50 0 IJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)c2ccccc2)c(OC)c1 ZINC000035912378 524389724 /nfs/dbraw/zinc/38/97/24/524389724.db2.gz PJWIXWBFQDMJFP-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863827 524413975 /nfs/dbraw/zinc/41/39/75/524413975.db2.gz KTLYECRHOOMYRB-SANMLTNESA-N 0 0 431.536 4.843 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533435 524422099 /nfs/dbraw/zinc/42/20/99/524422099.db2.gz GSRLYILXUZDLTJ-ZDUSSCGKSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(C(=O)Cc2ccc(F)cc2Cl)CC3)c1 ZINC000014991635 524431041 /nfs/dbraw/zinc/43/10/41/524431041.db2.gz WVDNFFMNVAGURL-FQEVSTJZSA-N 0 0 428.935 4.906 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)o1 ZINC000021781964 524432498 /nfs/dbraw/zinc/43/24/98/524432498.db2.gz IWYZTOHUGKLIKP-VWLOTQADSA-N 0 0 435.524 4.513 50 0 IJAARN Cc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccc(F)cc2)c1 ZINC000035529356 524463962 /nfs/dbraw/zinc/46/39/62/524463962.db2.gz PYQPDSBYQFFONY-UHFFFAOYSA-N 0 0 436.537 4.894 50 0 IJAARN COc1ccccc1CNC(=O)Nc1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CS2 ZINC000020385916 524470750 /nfs/dbraw/zinc/47/07/50/524470750.db2.gz RMTFNSVZTACYIS-UHFFFAOYSA-N 0 0 447.560 4.964 50 0 IJAARN COc1ccc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)cc1Cl ZINC000020993403 524481012 /nfs/dbraw/zinc/48/10/12/524481012.db2.gz XUMVETVDSXSTFI-UHFFFAOYSA-N 0 0 439.924 4.884 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)c(OC)c1 ZINC000033289028 524511668 /nfs/dbraw/zinc/51/16/68/524511668.db2.gz NYKAUMFXCWIETO-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1 ZINC000035426748 524511739 /nfs/dbraw/zinc/51/17/39/524511739.db2.gz PVLNCWVAVAQBSU-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)c2cccnc2Sc2ccc(Br)cc2)n1 ZINC000012916526 524524222 /nfs/dbraw/zinc/52/42/22/524524222.db2.gz WPJRDSWYKSHRAC-UHFFFAOYSA-N 0 0 445.386 4.629 50 0 IJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000035910504 524533145 /nfs/dbraw/zinc/53/31/45/524533145.db2.gz GIRGHBIMYGCNEM-JOCHJYFZSA-N 0 0 442.537 4.714 50 0 IJAARN COc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021527604 524536018 /nfs/dbraw/zinc/53/60/18/524536018.db2.gz TUDXDGNEAFJMLN-HHHXNRCGSA-N 0 0 445.563 4.908 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1C ZINC000021811896 524536462 /nfs/dbraw/zinc/53/64/62/524536462.db2.gz YJLPDFADOPCENK-AREMUKBSSA-N 0 0 446.551 4.628 50 0 IJAARN COc1ccc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)c(OC)c1 ZINC000033263821 524564510 /nfs/dbraw/zinc/56/45/10/524564510.db2.gz JZEUMSNGVGFKNV-UHFFFAOYSA-N 0 0 445.523 4.636 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)SCc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000015495167 524585871 /nfs/dbraw/zinc/58/58/71/524585871.db2.gz CDDIUKIRFHMLTM-CYBMUJFWSA-N 0 0 437.945 4.779 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000015064098 524617826 /nfs/dbraw/zinc/61/78/26/524617826.db2.gz XFXVPTGNOMQOTG-UHFFFAOYSA-N 0 0 439.560 4.670 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)CC(C)C)n2C(C)C)cc1 ZINC000036040385 524639237 /nfs/dbraw/zinc/63/92/37/524639237.db2.gz KCWHOFZSPWQVJF-UHFFFAOYSA-N 0 0 447.645 4.777 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)c1 ZINC000022503930 524641982 /nfs/dbraw/zinc/64/19/82/524641982.db2.gz IKYYPPAGXRUMOU-UHFFFAOYSA-N 0 0 427.551 4.842 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)c1C ZINC000021936010 524652907 /nfs/dbraw/zinc/65/29/07/524652907.db2.gz JHQAYUJBXREISM-OXJNMPFZSA-N 0 0 434.565 4.678 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)c1 ZINC000012561138 524691749 /nfs/dbraw/zinc/69/17/49/524691749.db2.gz KABODHAYFHHEEQ-INIZCTEOSA-N 0 0 426.563 4.617 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)cc1 ZINC000035907746 524692274 /nfs/dbraw/zinc/69/22/74/524692274.db2.gz YAJYPWFLDBNJMO-WHSLLNHNSA-N 0 0 447.626 4.607 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)c2cc(C(C)C)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021852245 524730243 /nfs/dbraw/zinc/73/02/43/524730243.db2.gz DNLYXTDJRRHVMI-DEOSSOPVSA-N 0 0 442.991 4.836 50 0 IJAARN COc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)N(C)C ZINC000012754352 524733732 /nfs/dbraw/zinc/73/37/32/524733732.db2.gz AMQYCHAFGIEYBO-OAQYLSRUSA-N 0 0 446.576 4.642 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3[nH]2)no1 ZINC000033270704 524741988 /nfs/dbraw/zinc/74/19/88/524741988.db2.gz SEJWNDSHDYPKHU-UHFFFAOYSA-N 0 0 427.917 4.771 50 0 IJAARN COc1ccccc1[C@H](NC(=O)CSc1c(Cl)cccc1Cl)c1nccn1C ZINC000012601198 524796702 /nfs/dbraw/zinc/79/67/02/524796702.db2.gz DNNWENNLKBKSLZ-SFHVURJKSA-N 0 0 436.364 4.733 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)c1 ZINC000035505051 524835333 /nfs/dbraw/zinc/83/53/33/524835333.db2.gz UPWSKMWNGQBXKD-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c1 ZINC000020555422 524853650 /nfs/dbraw/zinc/85/36/50/524853650.db2.gz DOLDBXIRKVDWIV-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NC(C)C)ccc3CCN2C(=O)c2ccco2)c1 ZINC000034713843 524855705 /nfs/dbraw/zinc/85/57/05/524855705.db2.gz KTVPQWVEQNJNHS-UQBPGWFLSA-N 0 0 446.547 4.668 50 0 IJAARN COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000021788226 524900371 /nfs/dbraw/zinc/90/03/71/524900371.db2.gz IBAYBCXCLBIPNU-NRFANRHFSA-N 0 0 443.956 4.934 50 0 IJAARN C[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc(Cl)cc1Cl ZINC000021389639 524902082 /nfs/dbraw/zinc/90/20/82/524902082.db2.gz DKGMFLVHWJTCQZ-AWEZNQCLSA-N 0 0 426.365 4.957 50 0 IJAARN Cc1ccc(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000015829520 524925447 /nfs/dbraw/zinc/92/54/47/524925447.db2.gz LUFPOCGXNPHVPJ-UHFFFAOYSA-N 0 0 428.460 4.917 50 0 IJAARN C[C@H]1Cc2c(nc3ccccc3c2C(=O)NCc2nnc3ccccn32)/C(=C/c2ccco2)C1 ZINC000022232211 524974934 /nfs/dbraw/zinc/97/49/34/524974934.db2.gz ALOOARVTXWDLET-PQMNFKMDSA-N 0 0 449.514 4.923 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3nc4ccccc4s3)CC2)nn1 ZINC000022493849 525002797 /nfs/dbraw/zinc/00/27/97/525002797.db2.gz IBKWPHAEKXTTFH-UHFFFAOYSA-N 0 0 429.549 4.917 50 0 IJAARN Cc1ccccc1-c1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)n1 ZINC000021940098 525023019 /nfs/dbraw/zinc/02/30/19/525023019.db2.gz UMHORQJBKNTZRA-LJQANCHMSA-N 0 0 425.554 4.737 50 0 IJAARN Cc1ccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 ZINC000012847999 525049834 /nfs/dbraw/zinc/04/98/34/525049834.db2.gz RONBOKQBKACBFO-UHFFFAOYSA-N 0 0 440.897 4.521 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccccc4)n23)cc1 ZINC000012461629 525085802 /nfs/dbraw/zinc/08/58/02/525085802.db2.gz HGMRJOZBISQQIB-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1I ZINC000012766704 525095326 /nfs/dbraw/zinc/09/53/26/525095326.db2.gz UUJJCQWYHUGGEN-UHFFFAOYSA-N 0 0 440.331 4.966 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)c(C)c1 ZINC000035399659 525102286 /nfs/dbraw/zinc/10/22/86/525102286.db2.gz AQVQSEJMIJFYRF-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN Cc1ccccc1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021858802 525109160 /nfs/dbraw/zinc/10/91/60/525109160.db2.gz LCZBIEDAMVBYKV-MHZLTWQESA-N 0 0 431.580 4.569 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)cc1 ZINC000033114075 525121531 /nfs/dbraw/zinc/12/15/31/525121531.db2.gz CXUMNXZUHWXZQC-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000033113391 525125528 /nfs/dbraw/zinc/12/55/28/525125528.db2.gz KCHFXUZDGKJJPV-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)cc1 ZINC000012203934 525127743 /nfs/dbraw/zinc/12/77/43/525127743.db2.gz FWRJSGPXVUNVRZ-TZIWHRDSSA-N 0 0 432.568 4.691 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855858 525134735 /nfs/dbraw/zinc/13/47/35/525134735.db2.gz JFYUZXYPQYCOGB-MHZLTWQESA-N 0 0 429.564 4.813 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561103 525171402 /nfs/dbraw/zinc/17/14/02/525171402.db2.gz VEJOPRKPPALOTK-OAQYLSRUSA-N 0 0 434.467 4.569 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCCc1ccccc1 ZINC000021863739 525197473 /nfs/dbraw/zinc/19/74/73/525197473.db2.gz HFEMOMAGGBFXMX-HHHXNRCGSA-N 0 0 445.563 4.654 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c(C)c1 ZINC000021885282 525199898 /nfs/dbraw/zinc/19/98/98/525199898.db2.gz JJBIZQVUCXFJLM-LJQANCHMSA-N 0 0 430.508 4.613 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1Cl ZINC000021810480 525200867 /nfs/dbraw/zinc/20/08/67/525200867.db2.gz OVBRJMSURGWTHI-XMMPIXPASA-N 0 0 439.943 4.751 50 0 IJAARN Cc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000035910298 525220756 /nfs/dbraw/zinc/22/07/56/525220756.db2.gz GIXJASLDMBPZQE-JOCHJYFZSA-N 0 0 442.537 4.714 50 0 IJAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(-n2ccnc2)cc1 ZINC000012589780 525221427 /nfs/dbraw/zinc/22/14/27/525221427.db2.gz JHKJFGSTHGZPJD-AVRWGWEMSA-N 0 0 437.499 4.818 50 0 IJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012887511 525253394 /nfs/dbraw/zinc/25/33/94/525253394.db2.gz ASIPAEWBVNLIPI-INIZCTEOSA-N 0 0 438.505 4.650 50 0 IJAARN Cc1cc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)ccc1Br ZINC000012864647 525256196 /nfs/dbraw/zinc/25/61/96/525256196.db2.gz WNVKHQXIWVCQIT-UHFFFAOYSA-N 0 0 442.313 4.572 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@@H]4C)c3N2)cc1 ZINC000017102100 525261835 /nfs/dbraw/zinc/26/18/35/525261835.db2.gz YBQJYUOUXMXGEI-ONTRVFCTSA-N 0 0 438.478 4.846 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000036616583 525313715 /nfs/dbraw/zinc/31/37/15/525313715.db2.gz NRDYNQBTJMPQKF-HNNXBMFYSA-N 0 0 448.498 4.685 50 0 IJAARN Cc1ccccc1OCc1nnc(SC[C@@H](O)COc2ccccc2)n1-c1ccccc1 ZINC000012558209 525317254 /nfs/dbraw/zinc/31/72/54/525317254.db2.gz LLHPHEJHMDREOP-NRFANRHFSA-N 0 0 447.560 4.687 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000021530558 525343724 /nfs/dbraw/zinc/34/37/24/525343724.db2.gz POYRMFMMHGLJNX-QFIPXVFZSA-N 0 0 448.494 4.877 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2c3ccccc3nc3c2CCCC3)ccc1Br ZINC000012546664 525420698 /nfs/dbraw/zinc/42/06/98/525420698.db2.gz SIQGIAVSCTYCBC-UHFFFAOYSA-N 0 0 431.355 4.985 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715565 525437982 /nfs/dbraw/zinc/43/79/82/525437982.db2.gz YIMZSXQIZVPXGV-VWLOTQADSA-N 0 0 426.472 4.693 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nc12 ZINC000033067870 525460651 /nfs/dbraw/zinc/46/06/51/525460651.db2.gz KLLJXHKLABQTKG-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000012824659 525494274 /nfs/dbraw/zinc/49/42/74/525494274.db2.gz PLNBOFDNULCHHZ-INIZCTEOSA-N 0 0 434.627 4.662 50 0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)no1 ZINC000021718713 525494693 /nfs/dbraw/zinc/49/46/93/525494693.db2.gz QYZMLRXEHGCASI-HNNXBMFYSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)on1 ZINC000021718463 525495429 /nfs/dbraw/zinc/49/54/29/525495429.db2.gz TXRYGNQQFGROLF-KRWDZBQOSA-N 0 0 441.413 4.689 50 0 IJAARN COc1ccc2c(c1)CCc1cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)sc1-2 ZINC000012933147 525535903 /nfs/dbraw/zinc/53/59/03/525535903.db2.gz LAYKQUCAXRPJEL-UHFFFAOYSA-N 0 0 425.506 4.800 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)OCc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035884153 525609870 /nfs/dbraw/zinc/60/98/70/525609870.db2.gz XHXNMERWFWGHEZ-KRWDZBQOSA-N 0 0 434.467 4.884 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c(C)c1 ZINC000020554801 525611709 /nfs/dbraw/zinc/61/17/09/525611709.db2.gz UUGBJFPDLQMROR-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(Cc2ccccn2)C3=O)o1 ZINC000015675809 525618526 /nfs/dbraw/zinc/61/85/26/525618526.db2.gz BUXKZDCAFRXCPX-SANMLTNESA-N 0 0 448.567 4.582 50 0 IJAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1Br ZINC000020901861 525660104 /nfs/dbraw/zinc/66/01/04/525660104.db2.gz PHIFCEOXCPKODM-UHFFFAOYSA-N 0 0 425.208 4.609 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1C ZINC000012922128 525672310 /nfs/dbraw/zinc/67/23/10/525672310.db2.gz KXDJHZGXSQFLDQ-LJQANCHMSA-N 0 0 443.576 4.912 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)cc(=O)n2o1 ZINC000020583242 525675963 /nfs/dbraw/zinc/67/59/63/525675963.db2.gz IGFPRAFMVFCJGJ-UHFFFAOYSA-N 0 0 425.897 4.794 50 0 IJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(Cc4ccco4)CC3)cc12 ZINC000020615992 525685768 /nfs/dbraw/zinc/68/57/68/525685768.db2.gz DTIDUXJWQRIPRK-UHFFFAOYSA-N 0 0 427.548 4.857 50 0 IJAARN Cc1c(C2N3CC4(c5ccccc5)CN2CC(c2ccccc2)(C3)C4=O)c2ccccc2n1C ZINC000020444152 525689846 /nfs/dbraw/zinc/68/98/46/525689846.db2.gz XSHITEFXVRFALF-UHFFFAOYSA-N 0 0 447.582 4.575 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2cn(C)nc2C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000020617172 525720272 /nfs/dbraw/zinc/72/02/72/525720272.db2.gz XPEKGECMVYQYNX-UXHICEINSA-N 0 0 432.568 4.636 50 0 IJAARN COc1cccc(-c2nc(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cs2)c1 ZINC000012322084 525723172 /nfs/dbraw/zinc/72/31/72/525723172.db2.gz HQIRNMFWTJWGGE-UHFFFAOYSA-N 0 0 442.968 4.525 50 0 IJAARN C[C@@H](Nc1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4)c1ccccc1 ZINC000020477975 525732748 /nfs/dbraw/zinc/73/27/48/525732748.db2.gz WHPNHSHDKINEHH-OAHLLOKOSA-N 0 0 431.565 4.738 50 0 IJAARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000022202483 525766439 /nfs/dbraw/zinc/76/64/39/525766439.db2.gz LWSHEQUUZPALRE-QFIPXVFZSA-N 0 0 445.544 4.520 50 0 IJAARN Cc1ccc(-c2csc(Cc3nc(O)c(CC(=O)Nc4ccccc4F)s3)n2)cc1 ZINC000012797469 525778703 /nfs/dbraw/zinc/77/87/03/525778703.db2.gz DGJJKQBYTYBJTN-SFHVURJKSA-N 0 0 439.537 4.869 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@H](C)C3)n2)cc1C ZINC000017053281 525781102 /nfs/dbraw/zinc/78/11/02/525781102.db2.gz 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O=C(CSc1nc(N2CCc3ccccc3C2)nc2ccccc21)Nc1ccccc1 ZINC000033274067 527054274 /nfs/dbraw/zinc/05/42/74/527054274.db2.gz VRXSDWIGRABYQQ-UHFFFAOYSA-N 0 0 426.545 4.923 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000012903061 527078228 /nfs/dbraw/zinc/07/82/28/527078228.db2.gz QFKLEQNWIXQIOP-UHFFFAOYSA-N 0 0 427.485 4.603 50 0 IJAARN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1cccc(Cl)c1 ZINC000012490923 527089434 /nfs/dbraw/zinc/08/94/34/527089434.db2.gz KHZJBCRZKXWLRV-UHFFFAOYSA-N 0 0 429.958 4.602 50 0 IJAARN O=C(CSc1nncn1Cc1ccco1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000022193810 527091809 /nfs/dbraw/zinc/09/18/09/527091809.db2.gz NKABHTRTVOQUFG-HXUWFJFHSA-N 0 0 448.573 4.892 50 0 IJAARN Cn1c2cc(NC(=O)c3ccc(Cl)cc3)c(SCc3ccco3)cc2n(C)c1=O ZINC000020853201 527095224 /nfs/dbraw/zinc/09/52/24/527095224.db2.gz LQJNQXUEJMTWBS-UHFFFAOYSA-N 0 0 427.913 4.668 50 0 IJAARN O=C1c2ccccc2/C(=C/c2cccc3cccnc23)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000058184206 527127450 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IJAARN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1 ZINC000001109161 527425405 /nfs/dbraw/zinc/42/54/05/527425405.db2.gz SWDCBWPLPFVRGE-UHFFFAOYSA-N 0 0 425.488 4.648 50 0 IJAARN O=C(N(CCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012577690 527432664 /nfs/dbraw/zinc/43/26/64/527432664.db2.gz WKVNBCKRRDXNQX-UHFFFAOYSA-N 0 0 446.522 4.671 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012822649 527519441 /nfs/dbraw/zinc/51/94/41/527519441.db2.gz ZBTAWJPNQORTNK-QGZVFWFLSA-N 0 0 429.542 4.568 50 0 IJAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@H](c1ccc(Br)cc1)N2 ZINC000012630712 527562875 /nfs/dbraw/zinc/56/28/75/527562875.db2.gz UXVOVXQLKMWCKU-CABCVRRESA-N 0 0 449.150 4.532 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000021660817 527571542 /nfs/dbraw/zinc/57/15/42/527571542.db2.gz LZJACKJZOOXFPL-CQSZACIVSA-N 0 0 425.414 4.560 50 0 IJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000021660868 527571564 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555521592 /nfs/dbraw/zinc/52/15/92/555521592.db2.gz BJISBLPTWCWYRU-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(C)c1 ZINC000000648673 555521863 /nfs/dbraw/zinc/52/18/63/555521863.db2.gz GASGRYZBAJGXDG-UHFFFAOYSA-N 0 0 427.595 4.530 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C ZINC000000648844 555522166 /nfs/dbraw/zinc/52/21/66/555522166.db2.gz MCBPNLRBSUBSNF-UHFFFAOYSA-N 0 0 437.613 4.900 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1OC ZINC000000649079 555522194 /nfs/dbraw/zinc/52/21/94/555522194.db2.gz VTGMOQOLIHXHGN-UHFFFAOYSA-N 0 0 438.434 4.912 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c(C)c1 ZINC000000649928 555522423 /nfs/dbraw/zinc/52/24/23/555522423.db2.gz KOGZNHCYPNREQM-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN COc1c(Br)cc(Br)cc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000665123 555528018 /nfs/dbraw/zinc/52/80/18/555528018.db2.gz UQRXDBNQHWUWLZ-UHFFFAOYSA-N 0 0 443.179 4.775 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 ZINC000000667175 555528970 /nfs/dbraw/zinc/52/89/70/555528970.db2.gz VWUKBSGPJWJTJP-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000000667121 555528985 /nfs/dbraw/zinc/52/89/85/555528985.db2.gz GSDVBNHANOAFLT-UHFFFAOYSA-N 0 0 432.574 4.673 50 0 IJAARN CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc(OCC)c1OCC ZINC000000669370 555530154 /nfs/dbraw/zinc/53/01/54/555530154.db2.gz HIZMQEGVTCOBBG-UHFFFAOYSA-N 0 0 446.569 4.564 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)c1 ZINC000000670113 555530431 /nfs/dbraw/zinc/53/04/31/555530431.db2.gz NXZPBIFLRJVMDJ-QGZVFWFLSA-N 0 0 427.456 4.532 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000000670062 555530460 /nfs/dbraw/zinc/53/04/60/555530460.db2.gz XQJOFXGQJNGLOB-UHFFFAOYSA-N 0 0 444.556 4.978 50 0 IJAARN O=C(CCC(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000000671767 555531546 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IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3C)oc21 ZINC000000687529 555540806 /nfs/dbraw/zinc/54/08/06/555540806.db2.gz UNSMGGVWKLBVPV-UHFFFAOYSA-N 0 0 428.901 4.621 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1 ZINC000000689286 555541677 /nfs/dbraw/zinc/54/16/77/555541677.db2.gz SZKFXMCXRUNDEB-UHFFFAOYSA-N 0 0 431.517 4.940 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000000696108 555542925 /nfs/dbraw/zinc/54/29/25/555542925.db2.gz KRLRBOKCZVYWBT-UHFFFAOYSA-N 0 0 431.901 4.793 50 0 IJAARN CC1=C(C(=O)OCC(Cl)(Cl)Cl)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000706327 555544636 /nfs/dbraw/zinc/54/46/36/555544636.db2.gz MCBXTRUPYJOWAL-NSHDSACASA-N 0 0 432.518 4.535 50 0 IJAARN CCc1c(C)sc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1C(=O)OC ZINC000000721301 555550282 /nfs/dbraw/zinc/55/02/82/555550282.db2.gz QFQIIGZYLSMCPZ-UHFFFAOYSA-N 0 0 431.366 4.839 50 0 IJAARN Cc1nc2ccc(I)cc2c(=O)n1-c1c(Cl)cccc1Cl ZINC000000723595 555550799 /nfs/dbraw/zinc/55/07/99/555550799.db2.gz ILKQSVMDULNNEV-UHFFFAOYSA-N 0 0 431.060 4.606 50 0 IJAARN S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCC1 ZINC000000780572 555555042 /nfs/dbraw/zinc/55/50/42/555555042.db2.gz VSKNJEUCXGOTIX-UHFFFAOYSA-N 0 0 426.549 4.937 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000786337 555556403 /nfs/dbraw/zinc/55/64/03/555556403.db2.gz JRMIOICDVRCAHH-UHFFFAOYSA-N 0 0 435.578 4.743 50 0 IJAARN Cc1cc(C)n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3nc(C)cc3C)n2)n1 ZINC000000788028 555556691 /nfs/dbraw/zinc/55/66/91/555556691.db2.gz NXFVZVNBDJQOMR-UHFFFAOYSA-N 0 0 436.523 4.946 50 0 IJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O)c1ccccc1 ZINC000000797327 555558313 /nfs/dbraw/zinc/55/83/13/555558313.db2.gz GUWJWBROTZYSJI-UHFFFAOYSA-N 0 0 435.435 4.680 50 0 IJAARN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000000797215 555558327 /nfs/dbraw/zinc/55/83/27/555558327.db2.gz QPBPHAQBCWOHIS-UHFFFAOYSA-N 0 0 448.313 4.928 50 0 IJAARN O=C(CSc1ncccn1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000000818858 555563560 /nfs/dbraw/zinc/56/35/60/555563560.db2.gz PZWVPKGPQMRDRO-UHFFFAOYSA-N 0 0 444.891 4.927 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000000821306 555563844 /nfs/dbraw/zinc/56/38/44/555563844.db2.gz AEKIBPKBFVALGC-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)C1c3ccccc3C2c2ccccc21 ZINC000000837089 555567383 /nfs/dbraw/zinc/56/73/83/555567383.db2.gz ARWSYFVGOOXPJO-LIKPIUCQSA-N 0 0 430.301 4.846 50 0 IJAARN CC(C)OC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845229 555569305 /nfs/dbraw/zinc/56/93/05/555569305.db2.gz NKQRZVKSMBWDLH-UHFFFAOYSA-N 0 0 428.208 4.743 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cccnc2)cc1 ZINC000000875812 555576234 /nfs/dbraw/zinc/57/62/34/555576234.db2.gz XMEIZGDAGMQFSQ-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000000877553 555576469 /nfs/dbraw/zinc/57/64/69/555576469.db2.gz UOYCCCUFTMNQDA-LJQANCHMSA-N 0 0 433.537 4.711 50 0 IJAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000000885151 555578889 /nfs/dbraw/zinc/57/88/89/555578889.db2.gz HYNXVWWGIOTYPN-UHFFFAOYSA-N 0 0 444.556 4.712 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000000909665 555582156 /nfs/dbraw/zinc/58/21/56/555582156.db2.gz ZTGVMEHFVFSBPW-UHFFFAOYSA-N 0 0 447.947 4.721 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000918698 555584026 /nfs/dbraw/zinc/58/40/26/555584026.db2.gz UQRIQCSVYYSEOG-LPHOPBHVSA-N 0 0 443.429 4.590 50 0 IJAARN CN(C)c1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000917994 555584044 /nfs/dbraw/zinc/58/40/44/555584044.db2.gz RKTHORTZGBDOBG-UHFFFAOYSA-N 0 0 436.459 4.942 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3)n2)cc1OC ZINC000000919995 555584371 /nfs/dbraw/zinc/58/43/71/555584371.db2.gz NXQSBYSAPFRUPI-UHFFFAOYSA-N 0 0 449.454 4.910 50 0 IJAARN COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000942071 555587110 /nfs/dbraw/zinc/58/71/10/555587110.db2.gz UDEGIEZOXUUVMP-UHFFFAOYSA-N 0 0 433.085 4.560 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000000951490 555589091 /nfs/dbraw/zinc/58/90/91/555589091.db2.gz YSTGRHSGWNYGAJ-OAQYLSRUSA-N 0 0 432.907 4.803 50 0 IJAARN COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)c(Br)c(OC)c1OC ZINC000000951555 555589440 /nfs/dbraw/zinc/58/94/40/555589440.db2.gz PCXARBVYNOFVGT-UHFFFAOYSA-N 0 0 437.315 4.645 50 0 IJAARN CC(=O)Nc1cccc(O[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000000971215 555591509 /nfs/dbraw/zinc/59/15/09/555591509.db2.gz YHGIKVYNGDTYJS-MRXNPFEDSA-N 0 0 436.122 4.804 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 ZINC000000986058 555594893 /nfs/dbraw/zinc/59/48/93/555594893.db2.gz KKOZURZYSBTTFE-UPVQGACJSA-N 0 0 439.540 4.824 50 0 biogenic IJAARN CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)cc1 ZINC000000992804 555596930 /nfs/dbraw/zinc/59/69/30/555596930.db2.gz XLXYJVWXRUCPGK-UHFFFAOYSA-N 0 0 447.874 4.743 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C ZINC000000997730 555599271 /nfs/dbraw/zinc/59/92/71/555599271.db2.gz CMHMTMUTPKIKAR-UHFFFAOYSA-N 0 0 430.570 4.875 50 0 IJAARN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000001011137 555601878 /nfs/dbraw/zinc/60/18/78/555601878.db2.gz RGVLBMUMLSRAAV-ZDLGFXPLSA-N 0 0 449.887 4.658 50 0 IJAARN COc1ccc(SCCc2nnc(SCC(=O)Nc3ccccc3)n2C2CC2)cc1 ZINC000001032557 555606503 /nfs/dbraw/zinc/60/65/03/555606503.db2.gz SQOUIVHBZGAQBO-UHFFFAOYSA-N 0 0 440.594 4.687 50 0 IJAARN NS(=O)(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000001032666 555606586 /nfs/dbraw/zinc/60/65/86/555606586.db2.gz NGPYMZRAWALBDQ-DEOSSOPVSA-N 0 0 442.500 4.583 50 0 IJAARN COc1cc(CC[C@H](C)NC(=O)Cc2ccccc2)ccc1OC(=O)Cc1ccccc1 ZINC000001037027 555608512 /nfs/dbraw/zinc/60/85/12/555608512.db2.gz CTRZOBOJBKWDTQ-FQEVSTJZSA-N 0 0 431.532 4.523 50 0 IJAARN Cc1nn(Cc2nnc(SCc3c(F)cccc3Cl)n2C)c(C)c1Br ZINC000001037712 555608648 /nfs/dbraw/zinc/60/86/48/555608648.db2.gz YNRMCGKRLLAOMS-UHFFFAOYSA-N 0 0 444.761 4.524 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(Cc4cc(F)cc(F)c4)o3)c2)cc1 ZINC000001047180 555611489 /nfs/dbraw/zinc/61/14/89/555611489.db2.gz DIXFNMQBOOFHAG-UHFFFAOYSA-N 0 0 441.459 4.715 50 0 IJAARN CCOc1ccc(N[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001052987 555613954 /nfs/dbraw/zinc/61/39/54/555613954.db2.gz MGLGSAPUSSYHFS-JOCHJYFZSA-N 0 0 430.957 4.870 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sc2cccc(F)c2c1Cl ZINC000001054972 555614225 /nfs/dbraw/zinc/61/42/25/555614225.db2.gz SPGPIVMALBFFQD-UHFFFAOYSA-N 0 0 438.933 4.731 50 0 IJAARN Cc1ccc(N([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C ZINC000001062058 555616662 /nfs/dbraw/zinc/61/66/62/555616662.db2.gz GMAIJBSKQWEBFV-ZDUSSCGKSA-N 0 0 448.894 4.769 50 0 IJAARN Cc1ccc(N([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C ZINC000001062061 555616711 /nfs/dbraw/zinc/61/67/11/555616711.db2.gz GMAIJBSKQWEBFV-CYBMUJFWSA-N 0 0 448.894 4.769 50 0 IJAARN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cccc2c(Br)cccc12 ZINC000001064438 555617594 /nfs/dbraw/zinc/61/75/94/555617594.db2.gz BFLJLTSTLUAHBL-UHFFFAOYSA-N 0 0 443.322 4.500 50 0 IJAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccs1 ZINC000001065424 555618180 /nfs/dbraw/zinc/61/81/80/555618180.db2.gz PGYUUCYNYIYBBN-UHFFFAOYSA-N 0 0 436.514 4.657 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000001066990 555618692 /nfs/dbraw/zinc/61/86/92/555618692.db2.gz ATUOZQDFYLQBSQ-UHFFFAOYSA-N 0 0 434.517 4.597 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000001067937 555619389 /nfs/dbraw/zinc/61/93/89/555619389.db2.gz PEZVDUHFMOGEAN-IEBWSBKVSA-N 0 0 443.429 4.590 50 0 IJAARN C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001073029 555622188 /nfs/dbraw/zinc/62/21/88/555622188.db2.gz CPLUWDCDXQERKX-INIZCTEOSA-N 0 0 428.941 4.656 50 0 IJAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000001075680 555623919 /nfs/dbraw/zinc/62/39/19/555623919.db2.gz MKTLOOILSRYCEN-AWEZNQCLSA-N 0 0 448.903 4.577 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1I ZINC000001077918 555625323 /nfs/dbraw/zinc/62/53/23/555625323.db2.gz LUZQGZMIZGNHOQ-UHFFFAOYSA-N 0 0 445.322 4.532 50 0 IJAARN Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1 ZINC000001108498 555630166 /nfs/dbraw/zinc/63/01/66/555630166.db2.gz JGTIYZGULDPWPE-UHFFFAOYSA-N 0 0 441.969 4.990 50 0 IJAARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)N(C)C1=S ZINC000001112205 555632376 /nfs/dbraw/zinc/63/23/76/555632376.db2.gz MYFRJSNSMJFBSY-BOPFTXTBSA-N 0 0 449.345 4.587 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001118278 555635802 /nfs/dbraw/zinc/63/58/02/555635802.db2.gz KJBSNTAGHSKFDK-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)o2)cc1 ZINC000001130167 555643995 /nfs/dbraw/zinc/64/39/95/555643995.db2.gz BKAPCJVPUYXSET-UHFFFAOYSA-N 0 0 434.315 4.547 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000001130638 555644141 /nfs/dbraw/zinc/64/41/41/555644141.db2.gz NXJVNQZRRPECDZ-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 ZINC000001130583 555644152 /nfs/dbraw/zinc/64/41/52/555644152.db2.gz KPAZUOBVCUKCEY-UHFFFAOYSA-N 0 0 430.961 4.902 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000001133674 555646016 /nfs/dbraw/zinc/64/60/16/555646016.db2.gz WRPPPEFNVQNNKJ-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc(Br)ccc1Cl ZINC000001135114 555646557 /nfs/dbraw/zinc/64/65/57/555646557.db2.gz MIKPHHFWUNFSSQ-UHFFFAOYSA-N 0 0 438.778 4.830 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001137132 555647391 /nfs/dbraw/zinc/64/73/91/555647391.db2.gz CYIMXBHIYVDZSB-MRXNPFEDSA-N 0 0 444.940 4.926 50 0 IJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 ZINC000001141610 555650271 /nfs/dbraw/zinc/65/02/71/555650271.db2.gz WNJHYENLWCFRAX-UHFFFAOYSA-N 0 0 448.523 4.737 50 0 IJAARN CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001142672 555650917 /nfs/dbraw/zinc/65/09/17/555650917.db2.gz HDCQGKCWUJVOQC-UHFFFAOYSA-N 0 0 448.972 4.505 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000001143729 555651781 /nfs/dbraw/zinc/65/17/81/555651781.db2.gz LPPKRGYWCGXDBT-UHFFFAOYSA-N 0 0 448.466 4.777 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nn(CC)cc1Br ZINC000001144637 555652447 /nfs/dbraw/zinc/65/24/47/555652447.db2.gz UWBXGVMJRWXCIM-UHFFFAOYSA-N 0 0 448.342 4.823 50 0 aggregator IJAARN Cc1ccc(N(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000001149769 555655622 /nfs/dbraw/zinc/65/56/22/555655622.db2.gz PIEFHJBFDCKGJY-UHFFFAOYSA-N 0 0 440.609 4.890 50 0 IJAARN Cc1cccc(NC(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CC(C)(C)CC3=O)n1 ZINC000001151079 555656459 /nfs/dbraw/zinc/65/64/59/555656459.db2.gz QGYSOEFXBNASGY-UHFFFAOYSA-N 0 0 435.911 4.602 50 0 IJAARN C[C@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001157308 555659549 /nfs/dbraw/zinc/65/95/49/555659549.db2.gz JVKAVRNLNWORFJ-OAHLLOKOSA-N 0 0 446.475 4.550 50 0 IJAARN CCOC(=O)[C@@]1(C=C(O)c2ccc(F)cc2)C(=O)Oc2ccccc2[C@@H]1c1ccccc1 ZINC000001158457 555660507 /nfs/dbraw/zinc/66/05/07/555660507.db2.gz XDNIGSIBLAUGCL-OZXSUGGESA-N 0 0 432.447 4.699 50 0 IJAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000001159712 555661128 /nfs/dbraw/zinc/66/11/28/555661128.db2.gz SWQANVMFPNJFJP-IBGZPJMESA-N 0 0 443.572 4.609 50 0 IJAARN O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000001162699 555662639 /nfs/dbraw/zinc/66/26/39/555662639.db2.gz NZRDEPFHTGVAGP-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000001162624 555662667 /nfs/dbraw/zinc/66/26/67/555662667.db2.gz NZTDQGFYSJBLQM-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1 ZINC000001164101 555663253 /nfs/dbraw/zinc/66/32/53/555663253.db2.gz AXPFXXATVAGGEH-UHFFFAOYSA-N 0 0 430.460 4.970 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000001163701 555663279 /nfs/dbraw/zinc/66/32/79/555663279.db2.gz KMIBCILARNAPNM-HSZRJFAPSA-N 0 0 444.369 4.964 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)Cc1ccc(Cl)cc1 ZINC000001165470 555663872 /nfs/dbraw/zinc/66/38/72/555663872.db2.gz WYCQOURUZFGHLT-UHFFFAOYSA-N 0 0 448.972 4.740 50 0 IJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cc(I)ccc1Cl ZINC000001165862 555664153 /nfs/dbraw/zinc/66/41/53/555664153.db2.gz YTZZIESCWIEZSS-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1Cl ZINC000001169729 555665951 /nfs/dbraw/zinc/66/59/51/555665951.db2.gz PNKFIHVYWVGIMO-UHFFFAOYSA-N 0 0 439.903 4.648 50 0 IJAARN CCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 ZINC000001172170 555667390 /nfs/dbraw/zinc/66/73/90/555667390.db2.gz BNBWBPNCWACSDI-UHFFFAOYSA-N 0 0 432.505 4.724 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C)c(C)c2)cc1 ZINC000001173375 555668132 /nfs/dbraw/zinc/66/81/32/555668132.db2.gz VRSZDDYDZHEALZ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C)cc2C)cc1 ZINC000001174409 555668910 /nfs/dbraw/zinc/66/89/10/555668910.db2.gz CVPMSXIQZABFGQ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1cc(NC(=S)NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001179764 555671132 /nfs/dbraw/zinc/67/11/32/555671132.db2.gz ZCARGJRRNFMTCZ-UHFFFAOYSA-N 0 0 425.510 4.553 50 0 aggregator IJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001196196 555676726 /nfs/dbraw/zinc/67/67/26/555676726.db2.gz OPDYCWJKLLQQCG-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN CCc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001197194 555677356 /nfs/dbraw/zinc/67/73/56/555677356.db2.gz ANIADDDUAPJYOW-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001198068 555677643 /nfs/dbraw/zinc/67/76/43/555677643.db2.gz JYUOZEIHCBWZBW-CQSZACIVSA-N 0 0 426.460 4.521 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000001198514 555677659 /nfs/dbraw/zinc/67/76/59/555677659.db2.gz KIDMFRMOFZINFD-UHFFFAOYSA-N 0 0 442.968 4.545 50 0 IJAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cccnc1Cl ZINC000001311760 555689724 /nfs/dbraw/zinc/68/97/24/555689724.db2.gz RKPGIXWXFSGHDZ-UHFFFAOYSA-N 0 0 429.661 4.953 50 0 IJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000001432419 555696527 /nfs/dbraw/zinc/69/65/27/555696527.db2.gz RELSIZAFXXQSOW-UHFFFAOYSA-N 0 0 429.501 4.999 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000001446138 555699048 /nfs/dbraw/zinc/69/90/48/555699048.db2.gz NVZBLYSFAATEJH-YADHBBJMSA-N 0 0 425.843 4.739 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002061265 555732053 /nfs/dbraw/zinc/73/20/53/555732053.db2.gz QDOIHULMTAAPQB-UHFFFAOYSA-N 0 0 443.521 4.748 50 0 IJAARN O=C1N[C@@]2(c3ccccc3)N(c3ccccc3)c3ccccc3[C@]2(Cc2ccccc2)C1=O ZINC000002077921 555736010 /nfs/dbraw/zinc/73/60/10/555736010.db2.gz JHNZNZJOUPKCGV-WDYNHAJCSA-N 0 0 430.507 4.871 50 0 IJAARN CCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000002086026 555739988 /nfs/dbraw/zinc/73/99/88/555739988.db2.gz ZBYZHKOEADVLIF-HSZRJFAPSA-N 0 0 430.508 4.562 50 0 IJAARN Cc1cccc(-n2c(SC(C)C)nc3ccc(I)cc3c2=O)c1 ZINC000002117774 555745277 /nfs/dbraw/zinc/74/52/77/555745277.db2.gz MFDDCGNRIYTMQG-UHFFFAOYSA-N 0 0 436.318 4.799 50 0 IJAARN CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc1OCC ZINC000002143079 555748411 /nfs/dbraw/zinc/74/84/11/555748411.db2.gz GAPROCQCHHHMAD-QFIPXVFZSA-N 0 0 439.581 4.614 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccnc4Cl)c3n2)cc1 ZINC000002198444 555757197 /nfs/dbraw/zinc/75/71/97/555757197.db2.gz KPLGLQKDKVPRFB-UHFFFAOYSA-N 0 0 429.814 4.643 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002317299 555768277 /nfs/dbraw/zinc/76/82/77/555768277.db2.gz VDTBBDNIVPZQHA-IBGZPJMESA-N 0 0 443.883 4.926 50 0 IJAARN CCCC[C@H](C(=O)Nc1ccc(OC)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002357532 555771755 /nfs/dbraw/zinc/77/17/55/555771755.db2.gz OJXACNOJIYADDE-GOSISDBHSA-N 0 0 435.307 4.796 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002420778 555777641 /nfs/dbraw/zinc/77/76/41/555777641.db2.gz TUCIOZXOPFXYTB-HXUWFJFHSA-N 0 0 447.516 4.800 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002425042 555778073 /nfs/dbraw/zinc/77/80/73/555778073.db2.gz CVHRRADLZFJMNA-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002432903 555778352 /nfs/dbraw/zinc/77/83/52/555778352.db2.gz KZFXALGWCCIKDG-UHFFFAOYSA-N 0 0 426.489 4.700 50 0 IJAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000002435790 555778798 /nfs/dbraw/zinc/77/87/98/555778798.db2.gz IRYCWLWSQQRNFT-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 ZINC000002447485 555780581 /nfs/dbraw/zinc/78/05/81/555780581.db2.gz SMXXTOBRYKEVCS-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccco2)cc1 ZINC000002452789 555782039 /nfs/dbraw/zinc/78/20/39/555782039.db2.gz CCQOJJFIMWCWET-UHFFFAOYSA-N 0 0 438.484 4.796 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000002556714 555787296 /nfs/dbraw/zinc/78/72/96/555787296.db2.gz UHYCVEDLXBEKPC-DEOSSOPVSA-N 0 0 428.488 4.749 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667470 555791743 /nfs/dbraw/zinc/79/17/43/555791743.db2.gz NUQTWZICLHFEPO-AFMDSPMNSA-N 0 0 432.539 4.877 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)nc2)cc1 ZINC000034667609 555791803 /nfs/dbraw/zinc/79/18/03/555791803.db2.gz REKAFBYPNWENCZ-UHFFFAOYSA-N 0 0 448.592 4.655 50 0 IJAARN C[C@H](NC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1 ZINC000034669040 555792761 /nfs/dbraw/zinc/79/27/61/555792761.db2.gz XGQOTLDUPLLXTF-KRWDZBQOSA-N 0 0 441.000 4.610 50 0 IJAARN Cc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000034675813 555794106 /nfs/dbraw/zinc/79/41/06/555794106.db2.gz JMVRAUZSXOYTSA-UHFFFAOYSA-N 0 0 441.522 4.560 50 0 IJAARN O=C(OCc1ccccc1)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034676602 555794612 /nfs/dbraw/zinc/79/46/12/555794612.db2.gz GZKVGYDIONEINT-UHFFFAOYSA-N 0 0 444.535 4.954 50 0 IJAARN COC(=O)c1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002666992 555796525 /nfs/dbraw/zinc/79/65/25/555796525.db2.gz VVUHGIQMPCZDHE-INIZCTEOSA-N 0 0 441.808 4.684 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccccc32)cc1 ZINC000002692323 555799452 /nfs/dbraw/zinc/79/94/52/555799452.db2.gz IMLQXZSUMMWFMZ-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccc2c(c1)OCO2 ZINC000002695012 555799817 /nfs/dbraw/zinc/79/98/17/555799817.db2.gz JVVQTFMLROBHAT-UHFFFAOYSA-N 0 0 436.320 4.976 50 0 IJAARN O=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccccc2Cl)CCO1)C1CCCC1 ZINC000034691945 555804725 /nfs/dbraw/zinc/80/47/25/555804725.db2.gz MWLMZPUJQXZSSS-QFIPXVFZSA-N 0 0 430.951 4.765 50 0 IJAARN CC(C)Cn1c(=O)c2c(ncn2[C@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693805 555808332 /nfs/dbraw/zinc/80/83/32/555808332.db2.gz FEANEBHWNUIVEI-LJQANCHMSA-N 0 0 430.552 4.738 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)cc1 ZINC000002748459 555809747 /nfs/dbraw/zinc/80/97/47/555809747.db2.gz UAGXSRDGKRICKQ-UHFFFAOYSA-N 0 0 442.515 4.900 50 0 IJAARN Cc1ccc(Br)cc1N1CC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000034696757 555810900 /nfs/dbraw/zinc/81/09/00/555810900.db2.gz HAFLIJGEZMOSPJ-HNNXBMFYSA-N 0 0 441.247 4.768 50 0 IJAARN Cc1ccc(C(=O)N2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cn3)CC2)cc1 ZINC000034680697 555813697 /nfs/dbraw/zinc/81/36/97/555813697.db2.gz QKYSUGUBVCSHRQ-UHFFFAOYSA-N 0 0 448.954 4.648 50 0 IJAARN C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)[C@H]1CCCO1 ZINC000002769801 555814878 /nfs/dbraw/zinc/81/48/78/555814878.db2.gz DBZDBCXMXFABBN-LHSJRXKWSA-N 0 0 425.326 4.962 50 0 IJAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccc(I)cc1 ZINC000002771589 555816054 /nfs/dbraw/zinc/81/60/54/555816054.db2.gz ULISBRJVTLBLEE-LHHJGKSTSA-N 0 0 445.590 4.567 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccco3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034683788 555819441 /nfs/dbraw/zinc/81/94/41/555819441.db2.gz JDOVFHNCGJWLJJ-UHFFFAOYSA-N 0 0 428.529 4.587 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1 ZINC000002796680 555822394 /nfs/dbraw/zinc/82/23/94/555822394.db2.gz AYOITSJSZKSRSR-UHFFFAOYSA-N 0 0 443.902 4.973 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000034708385 555823062 /nfs/dbraw/zinc/82/30/62/555823062.db2.gz UTMIPQGCDMHCTG-JWQCQUIFSA-N 0 0 434.580 4.561 50 0 IJAARN CCc1ccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1 ZINC000034709966 555823801 /nfs/dbraw/zinc/82/38/01/555823801.db2.gz STUUILUCVDKWKU-RPWUZVMVSA-N 0 0 436.571 4.827 50 0 IJAARN CCCCOc1ccccc1C1C(C(=O)OC)=CN(C2CCCCC2)C=C1C(=O)OC ZINC000002805649 555826436 /nfs/dbraw/zinc/82/64/36/555826436.db2.gz CYFANFGDQMGDSA-UHFFFAOYSA-N 0 0 427.541 4.711 50 0 IJAARN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccccc1Cl)c1cccs1 ZINC000002821610 555829756 /nfs/dbraw/zinc/82/97/56/555829756.db2.gz XUEJLVAMACFDKR-SFHVURJKSA-N 0 0 427.909 4.881 50 0 aggregator IJAARN COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(C)c(C)c4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000002840975 555835559 /nfs/dbraw/zinc/83/55/59/555835559.db2.gz BINMNSYONYEFKJ-UHFFFAOYSA-N 0 0 444.531 4.870 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000002842808 555836405 /nfs/dbraw/zinc/83/64/05/555836405.db2.gz QYKDBPRUYUSRSD-UHFFFAOYSA-N 0 0 448.957 4.573 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2N)cc1Cl ZINC000002842234 555836411 /nfs/dbraw/zinc/83/64/11/555836411.db2.gz KUXZQALOHULIEP-UHFFFAOYSA-N 0 0 442.759 4.658 50 0 IJAARN CCCCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000002846047 555837681 /nfs/dbraw/zinc/83/76/81/555837681.db2.gz QXUOCIAZAXGGGW-UHFFFAOYSA-N 0 0 436.318 4.883 50 0 IJAARN COc1ccc(NC(=S)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1OC ZINC000002851409 555839592 /nfs/dbraw/zinc/83/95/92/555839592.db2.gz GMABTUJQLXQPKW-UHFFFAOYSA-N 0 0 447.358 4.520 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000002852826 555840241 /nfs/dbraw/zinc/84/02/41/555840241.db2.gz LWLGYZDCJPGAMA-UHFFFAOYSA-N 0 0 429.929 4.505 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000002856972 555841998 /nfs/dbraw/zinc/84/19/98/555841998.db2.gz WEENILSEWSLMLM-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN C[C@@H](NC(=O)c1cccs1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C ZINC000002859527 555843860 /nfs/dbraw/zinc/84/38/60/555843860.db2.gz FANZPRFWQZKWQE-SNVBAGLBSA-N 0 0 427.382 4.967 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 ZINC000002861362 555844764 /nfs/dbraw/zinc/84/47/64/555844764.db2.gz GIQONTGHKSVBAU-QHCPKHFHSA-N 0 0 429.447 4.995 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)c1 ZINC000002865794 555847129 /nfs/dbraw/zinc/84/71/29/555847129.db2.gz BWDUSXWXEHGKOX-UHFFFAOYSA-N 0 0 446.532 4.630 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)c1 ZINC000002875604 555851987 /nfs/dbraw/zinc/85/19/87/555851987.db2.gz SFGAZTMBZNMMPT-RDJZCZTQSA-N 0 0 436.459 4.544 50 0 IJAARN CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000002876021 555852345 /nfs/dbraw/zinc/85/23/45/555852345.db2.gz HFAFMVUZQVJRQT-UHFFFAOYSA-N 0 0 440.590 4.707 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002878134 555853301 /nfs/dbraw/zinc/85/33/01/555853301.db2.gz CYIXTXWEDKPSMB-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN Cc1ccc(C(=O)NCCSC2CCCCC2)cc1S(=O)(=O)Nc1ccccc1 ZINC000002879702 555854269 /nfs/dbraw/zinc/85/42/69/555854269.db2.gz QHASLXPCBRHWSR-UHFFFAOYSA-N 0 0 432.611 4.592 50 0 IJAARN COc1cc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc(OC)c1OC ZINC000002880701 555854968 /nfs/dbraw/zinc/85/49/68/555854968.db2.gz WDNOARHBIZGNCY-UHFFFAOYSA-N 0 0 448.850 4.511 50 0 IJAARN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1Cl ZINC000002881128 555855269 /nfs/dbraw/zinc/85/52/69/555855269.db2.gz XTPKGBRVXMRXDE-UHFFFAOYSA-N 0 0 441.698 4.507 50 0 IJAARN COC(=O)c1cc(NC(=O)CSCc2ccc(Br)cc2)ccc1Cl ZINC000002881297 555855274 /nfs/dbraw/zinc/85/52/74/555855274.db2.gz DKKHMUOVRNDMHH-UHFFFAOYSA-N 0 0 428.735 4.761 50 0 IJAARN CSc1ncc(Cl)c(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)n1 ZINC000002881948 555855873 /nfs/dbraw/zinc/85/58/73/555855873.db2.gz HBUXXZHNMJRZHR-VMPITWQZSA-N 0 0 435.987 4.761 50 0 aggregator IJAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000002882977 555856536 /nfs/dbraw/zinc/85/65/36/555856536.db2.gz FFHXJTKBQLUQFN-CYBMUJFWSA-N 0 0 448.894 4.769 50 0 IJAARN COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000002884652 555857235 /nfs/dbraw/zinc/85/72/35/555857235.db2.gz CCZDRDLZUXCBPH-UHFFFAOYSA-N 0 0 428.872 4.990 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000002886812 555858414 /nfs/dbraw/zinc/85/84/14/555858414.db2.gz SDBYEWQTYVRNJS-UHFFFAOYSA-N 0 0 436.533 4.868 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002913156 555862369 /nfs/dbraw/zinc/86/23/69/555862369.db2.gz WAQNIZNRVQPDHE-HXUWFJFHSA-N 0 0 440.525 4.570 50 0 IJAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@@H](c3ccc(F)c(C)c3)N(C(=O)NC(C)C)C2)c1 ZINC000034716005 555865033 /nfs/dbraw/zinc/86/50/33/555865033.db2.gz OWHSCFJGMUQJMG-GGAORHGYSA-N 0 0 425.548 4.630 50 0 IJAARN Cc1cc(C)nc(Sc2nc(Nc3ccccc3)nc(Sc3nc(C)cc(C)n3)n2)n1 ZINC000002947856 555865776 /nfs/dbraw/zinc/86/57/76/555865776.db2.gz JRVRJVHZMLXQEJ-UHFFFAOYSA-N 0 0 448.581 4.731 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034716370 555865806 /nfs/dbraw/zinc/86/58/06/555865806.db2.gz UJZKTZPAQRBUCU-WOJBJXKFSA-N 0 0 441.547 4.697 50 0 IJAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1I ZINC000002978713 555871068 /nfs/dbraw/zinc/87/10/68/555871068.db2.gz XGLGNZQGBHZWEO-UHFFFAOYSA-N 0 0 432.286 4.571 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000002982469 555872797 /nfs/dbraw/zinc/87/27/97/555872797.db2.gz JFUPSRUVGHHBMP-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000003012290 555879403 /nfs/dbraw/zinc/87/94/03/555879403.db2.gz NACIKNXBWVJMMQ-DNVCBOLYSA-N 0 0 444.413 4.833 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1=O ZINC000034734476 555879420 /nfs/dbraw/zinc/87/94/20/555879420.db2.gz BOTMSXBPFAUONB-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccc(F)cc2)C1=O ZINC000034734866 555880606 /nfs/dbraw/zinc/88/06/06/555880606.db2.gz AJPHXAKMOLGPME-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CCCC1)CC2 ZINC000034726245 555882077 /nfs/dbraw/zinc/88/20/77/555882077.db2.gz COKWFDKOJXKKDC-AREMUKBSSA-N 0 0 434.580 4.564 50 0 IJAARN Cc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003118619 555888802 /nfs/dbraw/zinc/88/88/02/555888802.db2.gz XUDSJFZMEUOAAV-HNNXBMFYSA-N 0 0 441.163 4.548 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003129825 555889974 /nfs/dbraw/zinc/88/99/74/555889974.db2.gz GAZDTGKGMIXORS-CQSZACIVSA-N 0 0 437.179 4.753 50 0 IJAARN COc1cc(N)c(Cl)cc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000010551036 555891701 /nfs/dbraw/zinc/89/17/01/555891701.db2.gz NUANVCZZYHIYOG-UHFFFAOYSA-N 0 0 449.891 4.568 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(Cc2ccccn2)CC3)CC1 ZINC000034756046 555901441 /nfs/dbraw/zinc/90/14/41/555901441.db2.gz AWAMRVUTKHPBFH-UHFFFAOYSA-N 0 0 433.531 4.598 50 0 IJAARN CCCCCC(=O)N1CCCN(c2nc(CCC)nc3onc(-c4ccccc4)c32)CC1 ZINC000034810340 555908501 /nfs/dbraw/zinc/90/85/01/555908501.db2.gz QWEAKNDPYQLDGE-UHFFFAOYSA-N 0 0 435.572 4.856 50 0 IJAARN COc1ccc(CC(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccccc43)CC2)cc1 ZINC000034812729 555909701 /nfs/dbraw/zinc/90/97/01/555909701.db2.gz SEDJUFILGOEXEH-UHFFFAOYSA-N 0 0 441.531 4.575 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3F)CC1)=Nc1ccc(C)cc1O2 ZINC000034813346 555910038 /nfs/dbraw/zinc/91/00/38/555910038.db2.gz WHAJIWLIVHVYKM-UHFFFAOYSA-N 0 0 445.494 4.785 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000034814317 555911000 /nfs/dbraw/zinc/91/10/00/555911000.db2.gz BJHAHQZEVHETHZ-UHFFFAOYSA-N 0 0 446.482 4.868 50 0 IJAARN COc1ccc(-c2n[nH]c(C3CCOCC3)c2NC(=O)OCc2ccccc2)cc1OC ZINC000034794003 555917188 /nfs/dbraw/zinc/91/71/88/555917188.db2.gz WERJOKKTIYSTRA-UHFFFAOYSA-N 0 0 437.496 4.737 50 0 IJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)CC(C)C)cs2)c1 ZINC000034905560 555919787 /nfs/dbraw/zinc/91/97/87/555919787.db2.gz ABTZGZMFKGOHRI-PMACEKPBSA-N 0 0 443.613 4.542 50 0 IJAARN CC(C)c1ccc(OCc2nc(C(=O)NCCCNC(=O)CC(C)(C)C)cs2)cc1 ZINC000034905588 555920072 /nfs/dbraw/zinc/92/00/72/555920072.db2.gz MZJYBVXVEPOBNC-UHFFFAOYSA-N 0 0 431.602 4.518 50 0 IJAARN O=C(NCc1ccncc1)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906555 555920540 /nfs/dbraw/zinc/92/05/40/555920540.db2.gz GSURUMMRLXPIHU-QFIPXVFZSA-N 0 0 431.584 4.544 50 0 IJAARN Cc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)nc2-c2ccoc2)cc1 ZINC000034911306 555923637 /nfs/dbraw/zinc/92/36/37/555923637.db2.gz CKPKYKGTLLNYJB-UHFFFAOYSA-N 0 0 426.398 4.785 50 0 IJAARN Cc1cccc([C@H]2[C@H](C(=O)NCCc3cccs3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924176 555932931 /nfs/dbraw/zinc/93/29/31/555932931.db2.gz ZPPFZUNMZIKKNW-RPWUZVMVSA-N 0 0 430.573 4.859 50 0 IJAARN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000003465670 555936015 /nfs/dbraw/zinc/93/60/15/555936015.db2.gz QWQQUJLGZJEDPL-UHFFFAOYSA-N 0 0 432.314 4.546 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000004019102 555953125 /nfs/dbraw/zinc/95/31/25/555953125.db2.gz QWMOGBCJEZXUKA-QHLBDZCJSA-N 0 0 448.420 4.988 50 0 IJAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(Br)cc1 ZINC000004122472 555965322 /nfs/dbraw/zinc/96/53/22/555965322.db2.gz NJDMFOIMQSTRBT-UHFFFAOYSA-N 0 0 438.281 4.978 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004178312 555974295 /nfs/dbraw/zinc/97/42/95/555974295.db2.gz BZTQTIKTRLSDTC-UHFFFAOYSA-N 0 0 429.472 4.701 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc4c(c3)OCCO4)c(=S)o2)c1 ZINC000004528537 555999554 /nfs/dbraw/zinc/99/95/54/555999554.db2.gz IVXVSHXKULAUMH-UHFFFAOYSA-N 0 0 440.521 4.871 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000004671411 556005913 /nfs/dbraw/zinc/00/59/13/556005913.db2.gz CDCNUTNNEGTDTL-QLOJAFMTSA-N 0 0 426.022 4.852 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccccc2)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002691753 556120007 /nfs/dbraw/zinc/12/00/07/556120007.db2.gz OCKQHWUKVUEVER-UHFFFAOYSA-N 0 0 427.884 4.675 50 0 IJAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002692677 556120575 /nfs/dbraw/zinc/12/05/75/556120575.db2.gz ASBDYBMCVBMQJC-UHFFFAOYSA-N 0 0 447.512 4.706 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002703877 556123011 /nfs/dbraw/zinc/12/30/11/556123011.db2.gz KRDSILAYKFPDNZ-FQEVSTJZSA-N 0 0 448.500 4.633 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704095 556123233 /nfs/dbraw/zinc/12/32/33/556123233.db2.gz IQLISJVTHBTEPX-HSZRJFAPSA-N 0 0 443.430 4.715 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002704510 556123885 /nfs/dbraw/zinc/12/38/85/556123885.db2.gz CYHQQADSLFGEQF-JOCHJYFZSA-N 0 0 447.874 4.906 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002704598 556123913 /nfs/dbraw/zinc/12/39/13/556123913.db2.gz UOIPAJOXDCMQFJ-QHCPKHFHSA-N 0 0 427.456 4.561 50 0 IJAARN COc1cccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccc(OC)c2)c1 ZINC000002707353 556124174 /nfs/dbraw/zinc/12/41/74/556124174.db2.gz DUFYQJXIGFIUOO-LOSJGSFVSA-N 0 0 438.487 4.855 50 0 IJAARN Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)c1 ZINC000002716507 556131044 /nfs/dbraw/zinc/13/10/44/556131044.db2.gz CIMRCQSDVMNIBU-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4C)cccc3C2=O)c1 ZINC000002716548 556131073 /nfs/dbraw/zinc/13/10/73/556131073.db2.gz DSPQYFZGVQKMJK-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000002761660 556135762 /nfs/dbraw/zinc/13/57/62/556135762.db2.gz DVQFSZUENBDSNY-UHFFFAOYSA-N 0 0 446.547 4.754 50 0 IJAARN O=C(NC1CCCC1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1 ZINC000002781620 556138018 /nfs/dbraw/zinc/13/80/18/556138018.db2.gz LKNIIMBBCXIKRS-UHFFFAOYSA-N 0 0 442.363 4.862 50 0 IJAARN O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(COc2ccc(F)cc2F)o1 ZINC000002796287 556145537 /nfs/dbraw/zinc/14/55/37/556145537.db2.gz FODOPZOYAUZMSQ-UHFFFAOYSA-N 0 0 427.382 4.773 50 0 IJAARN CCc1nc2sc3c(c2c(SCC(=O)c2cc(C)n(CCOC)c2C)n1)CCC3 ZINC000002890955 556149478 /nfs/dbraw/zinc/14/94/78/556149478.db2.gz YDTYGDUNXJFQMP-UHFFFAOYSA-N 0 0 429.611 4.782 50 0 IJAARN COc1cccc(-n2nc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3c2=O)c1 ZINC000002941707 556151346 /nfs/dbraw/zinc/15/13/46/556151346.db2.gz ARXZDULKNMHKCP-UHFFFAOYSA-N 0 0 439.393 4.665 50 0 IJAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1Cl ZINC000002979842 556153917 /nfs/dbraw/zinc/15/39/17/556153917.db2.gz YUOXOMQHPYLRTI-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2Br)c1 ZINC000003012739 556155729 /nfs/dbraw/zinc/15/57/29/556155729.db2.gz LPBXKBANLNSVFU-UHFFFAOYSA-N 0 0 446.322 4.778 50 0 IJAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1OCC ZINC000003008146 556156971 /nfs/dbraw/zinc/15/69/71/556156971.db2.gz YUQXSQHUVZMVMS-UHFFFAOYSA-N 0 0 427.501 4.808 50 0 IJAARN CCOC(=O)C1=NN(c2ccccc2)[C@]2(C=C(c3ccccc3)OC2=O)[C@H]1c1ccccc1 ZINC000008430774 556170461 /nfs/dbraw/zinc/17/04/61/556170461.db2.gz JSEIHGWIRWYXJK-WNCULLNHSA-N 0 0 438.483 4.546 50 0 IJAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cc(Br)c(Br)o1 ZINC000008431394 556171153 /nfs/dbraw/zinc/17/11/53/556171153.db2.gz MBNHVKNMCXGPFV-WDZFZDKYSA-N 0 0 431.467 4.803 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC)c(C)oc3c3ccccc23)cc1 ZINC000008438990 556174922 /nfs/dbraw/zinc/17/49/22/556174922.db2.gz MAWAOGAOUVQLEI-UHFFFAOYSA-N 0 0 439.489 4.881 50 0 IJAARN Cc1cc2c(nc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n23)c(Br)c1C ZINC000008442880 556177707 /nfs/dbraw/zinc/17/77/07/556177707.db2.gz GXQVDDZDTOFAQZ-LICLKQGHSA-N 0 0 427.367 4.960 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000008444561 556179028 /nfs/dbraw/zinc/17/90/28/556179028.db2.gz ZCGFQXVEVHXCJB-XNJJOIOASA-N 0 0 436.459 4.911 50 0 IJAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1OC ZINC000008590925 556188923 /nfs/dbraw/zinc/18/89/23/556188923.db2.gz ADPUTCZLQJJHFX-KRWDZBQOSA-N 0 0 431.467 4.774 50 0 IJAARN O=S(=O)(c1nnn2c1nc(Nc1ccccc1)c1cc(Cl)ccc12)c1ccccc1 ZINC000008604415 556191277 /nfs/dbraw/zinc/19/12/77/556191277.db2.gz LQKVGEMDIVKUMX-UHFFFAOYSA-N 0 0 435.896 4.507 50 0 IJAARN CCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc12 ZINC000008608598 556191641 /nfs/dbraw/zinc/19/16/41/556191641.db2.gz GFJSGYMMVQPGNI-UHFFFAOYSA-N 0 0 448.397 4.611 50 0 IJAARN O=C(Cn1c(=O)oc2cccnc21)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000008628245 556193908 /nfs/dbraw/zinc/19/39/08/556193908.db2.gz CAJJMDZUFHLXBS-UHFFFAOYSA-N 0 0 430.247 4.727 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000008706742 556201437 /nfs/dbraw/zinc/20/14/37/556201437.db2.gz QTEVVZCEXLRARC-UHFFFAOYSA-N 0 0 445.592 4.506 50 0 IJAARN COCCOc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000008723198 556203755 /nfs/dbraw/zinc/20/37/55/556203755.db2.gz LZHFIGXZUGLGPF-UHFFFAOYSA-N 0 0 430.298 4.645 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000008741164 556206973 /nfs/dbraw/zinc/20/69/73/556206973.db2.gz SAKWQXRIFVXULW-LSDHHAIUSA-N 0 0 440.638 4.628 50 0 IJAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(Nc4ccccc4)cc3)C(=O)[C@@H]1C2 ZINC000008770497 556213282 /nfs/dbraw/zinc/21/32/82/556213282.db2.gz IKFDDTANIGXLPE-NRFANRHFSA-N 0 0 445.544 4.506 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@@H](O)c4ccccc4)c(=O)oc3c2C)c1C ZINC000008790733 556215960 /nfs/dbraw/zinc/21/59/60/556215960.db2.gz REEWWDSBENMUFY-JOCHJYFZSA-N 0 0 433.504 4.555 50 0 biogenic IJAARN COc1ccc(Br)cc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000009030225 556241694 /nfs/dbraw/zinc/24/16/94/556241694.db2.gz JJTJSHDIXYNGJU-UHFFFAOYSA-N 0 0 449.322 4.804 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 ZINC000009060367 556243814 /nfs/dbraw/zinc/24/38/14/556243814.db2.gz KUTQGWOWJYFMIS-HSZRJFAPSA-N 0 0 426.476 4.678 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000009086488 556245479 /nfs/dbraw/zinc/24/54/79/556245479.db2.gz ODXVKKQVMLEEIM-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN COc1ccc(CCc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000009095474 556246494 /nfs/dbraw/zinc/24/64/94/556246494.db2.gz ONFVIOHVJHTUQK-UHFFFAOYSA-N 0 0 438.336 4.656 50 0 IJAARN COc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1C ZINC000009147028 556249545 /nfs/dbraw/zinc/24/95/45/556249545.db2.gz UFZRJDKQZVNWET-UHFFFAOYSA-N 0 0 430.533 4.930 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1 ZINC000009189587 556252265 /nfs/dbraw/zinc/25/22/65/556252265.db2.gz HLQHPBMYATVXKH-HXUWFJFHSA-N 0 0 433.581 4.867 50 0 biogenic IJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 ZINC000009196953 556254710 /nfs/dbraw/zinc/25/47/10/556254710.db2.gz MMCBSUWDVDCBLT-LBPRGKRZSA-N 0 0 444.944 4.757 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000009225117 556258982 /nfs/dbraw/zinc/25/89/82/556258982.db2.gz KXAMWWYDYKIGQJ-UHFFFAOYSA-N 0 0 440.377 4.634 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000009225676 556259529 /nfs/dbraw/zinc/25/95/29/556259529.db2.gz AMWLNUWVYURITJ-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1F ZINC000009225678 556259545 /nfs/dbraw/zinc/25/95/45/556259545.db2.gz MAIOFZLCLFYKFV-XMMPIXPASA-N 0 0 436.483 4.753 50 0 IJAARN O=C1CS[C@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)N1c1ccc(F)c(F)c1 ZINC000009225698 556259560 /nfs/dbraw/zinc/25/95/60/556259560.db2.gz QKDDWRDXXHBJST-QHCPKHFHSA-N 0 0 440.446 4.584 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009235657 556263524 /nfs/dbraw/zinc/26/35/24/556263524.db2.gz VKSHVPBFCBZBAZ-UHFFFAOYSA-N 0 0 445.592 4.861 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239580 556266030 /nfs/dbraw/zinc/26/60/30/556266030.db2.gz NKPFMPWDXKTYJX-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009294989 556274509 /nfs/dbraw/zinc/27/45/09/556274509.db2.gz WNVKRQDMYHCVTB-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009295107 556274861 /nfs/dbraw/zinc/27/48/61/556274861.db2.gz ONOSLCJKUGCLMC-PMACEKPBSA-N 0 0 441.988 4.844 50 0 IJAARN COC(=O)[C@H](CC(=O)c1ccc2ccccc2c1)c1cc(=O)oc2c(C)c(OC)ccc12 ZINC000013685057 556275853 /nfs/dbraw/zinc/27/58/53/556275853.db2.gz YYQJAMALTPLDKY-OAQYLSRUSA-N 0 0 430.456 4.793 50 0 IJAARN FC(F)(F)c1cccc(NC(=S)NNC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013685403 556276070 /nfs/dbraw/zinc/27/60/70/556276070.db2.gz NKROVSWVXCCIHY-UHFFFAOYSA-N 0 0 438.422 4.912 50 0 IJAARN O=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013690242 556279298 /nfs/dbraw/zinc/27/92/98/556279298.db2.gz OICWHQLITROFBW-UHFFFAOYSA-N 0 0 430.939 4.535 50 0 IJAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000013691597 556281010 /nfs/dbraw/zinc/28/10/10/556281010.db2.gz FLOUJQOABOPRKO-VWLOTQADSA-N 0 0 437.478 4.880 50 0 IJAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)n1 ZINC000009328642 556282313 /nfs/dbraw/zinc/28/23/13/556282313.db2.gz NDMKCYOGCXHBJY-JTQLQIEISA-N 0 0 433.946 4.766 50 0 IJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)n1 ZINC000009328640 556282407 /nfs/dbraw/zinc/28/24/07/556282407.db2.gz NDMKCYOGCXHBJY-SNVBAGLBSA-N 0 0 433.946 4.766 50 0 IJAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)c2c(C)onc2-c2ccccc2)s1 ZINC000009355774 556284740 /nfs/dbraw/zinc/28/47/40/556284740.db2.gz WSDYYCHQWUBCLT-UHFFFAOYSA-N 0 0 433.493 4.569 50 0 IJAARN Cc1ccc(Cn2c3cc(=O)n(CCc4ccccc4)c(C)c3c(=O)n2-c2ccccc2)cc1 ZINC000009482344 556293851 /nfs/dbraw/zinc/29/38/51/556293851.db2.gz PUUMQUORRFKUGB-UHFFFAOYSA-N 0 0 449.554 4.862 50 0 IJAARN O=C(CSCc1cc(=O)n2nc(C3CCCCC3)sc2n1)Nc1ccc(Cl)cc1 ZINC000009526534 556297063 /nfs/dbraw/zinc/29/70/63/556297063.db2.gz ARVBDCXSJIWMQG-UHFFFAOYSA-N 0 0 449.001 4.724 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccc(Br)cc1-2 ZINC000009557713 556298050 /nfs/dbraw/zinc/29/80/50/556298050.db2.gz ZGIBXDQYXQOWEV-MRXNPFEDSA-N 0 0 430.331 4.701 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)O[C@@H]4CCC[C@H]4C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559811 556298216 /nfs/dbraw/zinc/29/82/16/556298216.db2.gz GYNIGXQVEMIMCO-FRIZHTMISA-N 0 0 441.524 4.607 50 0 IJAARN Brc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 ZINC000009576259 556300162 /nfs/dbraw/zinc/30/01/62/556300162.db2.gz JOCNOARHTDNZFJ-UHFFFAOYSA-N 0 0 426.299 4.676 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)no1 ZINC000009581308 556300454 /nfs/dbraw/zinc/30/04/54/556300454.db2.gz BMTHTXZQMRJVFU-UHFFFAOYSA-N 0 0 435.867 4.956 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(OC)c2)cc1 ZINC000013758723 556301496 /nfs/dbraw/zinc/30/14/96/556301496.db2.gz FTAGUCYYZOHWGB-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000013758997 556301509 /nfs/dbraw/zinc/30/15/09/556301509.db2.gz XPSWKAUBEFRVDJ-FQEVSTJZSA-N 0 0 447.516 4.607 50 0 IJAARN O=C(NCCc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2o1 ZINC000032741217 556302714 /nfs/dbraw/zinc/30/27/14/556302714.db2.gz IMYUJJGPLFFBKC-UHFFFAOYSA-N 0 0 432.501 4.821 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)NC1CCCCC1 ZINC000032741821 556303643 /nfs/dbraw/zinc/30/36/43/556303643.db2.gz BSSSVEZVOJHVKB-UHFFFAOYSA-N 0 0 435.553 4.609 50 0 IJAARN Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)s2)nn1-c1ccccc1C(F)(F)F ZINC000032744486 556304323 /nfs/dbraw/zinc/30/43/23/556304323.db2.gz YDCYMAMXTXLKQF-UHFFFAOYSA-N 0 0 441.862 4.547 50 0 IJAARN c1ccc(CCn2c3ccccc3c3nnc(SCn4nnc5ccccc54)nc32)cc1 ZINC000009668852 556305469 /nfs/dbraw/zinc/30/54/69/556305469.db2.gz DTSZELSDVROXDV-UHFFFAOYSA-N 0 0 437.532 4.717 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000009731271 556308016 /nfs/dbraw/zinc/30/80/16/556308016.db2.gz ZXLCPQOMZIDKGQ-CYFREDJKSA-N 0 0 434.517 4.932 50 0 IJAARN CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 ZINC000013786752 556309559 /nfs/dbraw/zinc/30/95/59/556309559.db2.gz RLJRWYMDCNYKTO-FCQUAONHSA-N 0 0 429.611 4.890 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2C)c2ccccc23)cc1C ZINC000009829909 556309642 /nfs/dbraw/zinc/30/96/42/556309642.db2.gz HLUMIYZMTMUSKB-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCC(C)CC2)c2ccccc23)cc1 ZINC000009829965 556310004 /nfs/dbraw/zinc/31/00/04/556310004.db2.gz GXEGEKMHYFLQEL-UHFFFAOYSA-N 0 0 449.580 4.663 50 0 IJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCCc3ccc(Cl)cc3)n2n1 ZINC000009831105 556312784 /nfs/dbraw/zinc/31/27/84/556312784.db2.gz AOXPOOHWFYRZBK-UHFFFAOYSA-N 0 0 445.958 4.711 50 0 IJAARN O=C(NCCCOC1CCCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000032748269 556316900 /nfs/dbraw/zinc/31/69/00/556316900.db2.gz GYQBNNCSWLOMQH-UHFFFAOYSA-N 0 0 447.929 4.826 50 0 IJAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2 ZINC000009962567 556318977 /nfs/dbraw/zinc/31/89/77/556318977.db2.gz CSAZYWPGQZEBOQ-UHFFFAOYSA-N 0 0 449.513 4.524 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)c(C)c3)n2C)cc1 ZINC000013848125 556319690 /nfs/dbraw/zinc/31/96/90/556319690.db2.gz QTUNHCHWQDTVDK-UHFFFAOYSA-N 0 0 430.961 4.649 50 0 IJAARN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Br)cc1F ZINC000010139693 556326878 /nfs/dbraw/zinc/32/68/78/556326878.db2.gz MSEGRAFHXDWQQV-UHFFFAOYSA-N 0 0 430.321 4.888 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccnc1 ZINC000010231065 556327959 /nfs/dbraw/zinc/32/79/59/556327959.db2.gz MBEUPNHRKOPFSD-AWEZNQCLSA-N 0 0 438.582 4.725 50 0 IJAARN CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3c(Cl)cccc3Cl)cc2)C1 ZINC000013899183 556330859 /nfs/dbraw/zinc/33/08/59/556330859.db2.gz XBQPVBLBOYPNOY-HNNXBMFYSA-N 0 0 435.351 4.698 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc(Cl)c1OCCC(C)C ZINC000032772900 556335566 /nfs/dbraw/zinc/33/55/66/556335566.db2.gz BULFKJRHWUOPAN-ZDUSSCGKSA-N 0 0 432.904 4.745 50 0 IJAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)c1 ZINC000013944471 556341617 /nfs/dbraw/zinc/34/16/17/556341617.db2.gz RSXPGKUDGCLHAD-LJQANCHMSA-N 0 0 434.565 4.637 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013959051 556346440 /nfs/dbraw/zinc/34/64/40/556346440.db2.gz SCAXJNULERFMJD-UHFFFAOYSA-N 0 0 446.613 4.870 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000013959890 556346637 /nfs/dbraw/zinc/34/66/37/556346637.db2.gz JMHPAPVXRPBWIY-UHFFFAOYSA-N 0 0 449.436 4.869 50 0 IJAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)c2ccoc2C)C3)c1 ZINC000011784403 556352451 /nfs/dbraw/zinc/35/24/51/556352451.db2.gz CVETZYBFHLKQCX-KRWDZBQOSA-N 0 0 427.884 4.659 50 0 IJAARN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000014009775 556354381 /nfs/dbraw/zinc/35/43/81/556354381.db2.gz JYPRMNXDVKBLDK-FYJGNVAPSA-N 0 0 432.451 4.506 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c2oc1-c1ccccc1 ZINC000014047903 556358544 /nfs/dbraw/zinc/35/85/44/556358544.db2.gz IGMBNEBWJVZQMU-QFIPXVFZSA-N 0 0 442.515 4.928 50 0 IJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000032796612 556362194 /nfs/dbraw/zinc/36/21/94/556362194.db2.gz XGEOFBQOOPRMLK-KRWDZBQOSA-N 0 0 427.504 4.536 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC000011838958 556363738 /nfs/dbraw/zinc/36/37/38/556363738.db2.gz YGSITOJAGIVDEO-KRWDZBQOSA-N 0 0 447.963 4.544 50 0 IJAARN COc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)c(OC)c1 ZINC000014084492 556364359 /nfs/dbraw/zinc/36/43/59/556364359.db2.gz CLEYGNQAFSGIEK-UHFFFAOYSA-N 0 0 435.509 4.504 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000014094552 556366512 /nfs/dbraw/zinc/36/65/12/556366512.db2.gz BMOZCIRCVYHVDT-DEOSSOPVSA-N 0 0 426.476 4.661 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(F)c1 ZINC000014108516 556368814 /nfs/dbraw/zinc/36/88/14/556368814.db2.gz XEWAMYZBWWESMD-FQEVSTJZSA-N 0 0 429.879 4.629 50 0 IJAARN CCOc1ccccc1-n1nnnc1Sc1nnc(-c2ccccc2)cc1C(F)(F)F ZINC000014113726 556370647 /nfs/dbraw/zinc/37/06/47/556370647.db2.gz DRRYPFTWSIYWNP-UHFFFAOYSA-N 0 0 444.442 4.688 50 0 IJAARN Cc1oc(-c2ccccc2NC(=O)C2CCC2)nc1CNC(=O)Cc1cc(F)cc(F)c1 ZINC000011880339 556372149 /nfs/dbraw/zinc/37/21/49/556372149.db2.gz SQKOBBWZVFYWDM-UHFFFAOYSA-N 0 0 439.462 4.526 50 0 IJAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1ccc(C(F)(F)F)cc1 ZINC000011880441 556372568 /nfs/dbraw/zinc/37/25/68/556372568.db2.gz JYKURLXGCPSSQT-OAQYLSRUSA-N 0 0 438.877 4.647 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)o1 ZINC000014124485 556372932 /nfs/dbraw/zinc/37/29/32/556372932.db2.gz NDTJMOAVVAIODU-UHFFFAOYSA-N 0 0 434.477 4.621 50 0 IJAARN COc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1C ZINC000014135695 556375076 /nfs/dbraw/zinc/37/50/76/556375076.db2.gz VFOBSAHEIQVDDS-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN Nc1c(Cl)cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1Cl ZINC000014135941 556375105 /nfs/dbraw/zinc/37/51/05/556375105.db2.gz DOEDEJJCGYRDAO-IBGZPJMESA-N 0 0 428.319 4.555 50 0 IJAARN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014166289 556379825 /nfs/dbraw/zinc/37/98/25/556379825.db2.gz SBXZMZQXEFZVAE-HXUWFJFHSA-N 0 0 436.577 4.630 50 0 IJAARN Cn1c(CCC(=O)Nc2ccccc2SCc2ccccc2)nc2ccccc2c1=O ZINC000014171356 556381430 /nfs/dbraw/zinc/38/14/30/556381430.db2.gz JZKBHTDPTBPQAX-UHFFFAOYSA-N 0 0 429.545 4.797 50 0 IJAARN O=C(Cc1ccc2ccccc2c1)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000011971647 556382575 /nfs/dbraw/zinc/38/25/75/556382575.db2.gz RAVMLDHBGPRKAM-QFIPXVFZSA-N 0 0 429.907 4.613 50 0 IJAARN COc1cc(C[C@@]2(CCC(=O)N[C@@H](C)c3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011974257 556382946 /nfs/dbraw/zinc/38/29/46/556382946.db2.gz FRCWBTBVCXOJNK-XRHLQHRESA-N 0 0 448.538 4.836 50 0 IJAARN Clc1ccccc1OCc1nnc(SC[C@@H]2COc3ccccc3O2)n1C1CC1 ZINC000014201373 556391643 /nfs/dbraw/zinc/39/16/43/556391643.db2.gz ONLBWVQGBVNYIK-HNNXBMFYSA-N 0 0 429.929 4.778 50 0 IJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1CN1CCCC1=O ZINC000032816639 556392818 /nfs/dbraw/zinc/39/28/18/556392818.db2.gz RNKWUQOKEPCGFP-HXUWFJFHSA-N 0 0 428.532 4.560 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000014242411 556402857 /nfs/dbraw/zinc/40/28/57/556402857.db2.gz QXIOYCIIIABQHJ-QFIPXVFZSA-N 0 0 448.906 4.505 50 0 IJAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@H]1c1nc2ccccc2n1C ZINC000012301378 556403388 /nfs/dbraw/zinc/40/33/88/556403388.db2.gz WVZRINIQXINAMC-QHCPKHFHSA-N 0 0 444.970 4.898 50 0 IJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014244191 556403942 /nfs/dbraw/zinc/40/39/42/556403942.db2.gz ADJLLJYGYYBFSP-UHFFFAOYSA-N 0 0 428.869 4.712 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000032578618 556405285 /nfs/dbraw/zinc/40/52/85/556405285.db2.gz PRVULSZGLAFVOU-UHFFFAOYSA-N 0 0 430.302 4.948 50 0 IJAARN COc1cc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc(OC)c1 ZINC000032578827 556405710 /nfs/dbraw/zinc/40/57/10/556405710.db2.gz FHQAKJHDLASXID-UHFFFAOYSA-N 0 0 445.475 4.894 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032578856 556405745 /nfs/dbraw/zinc/40/57/45/556405745.db2.gz YDBARRLJPBNDLR-UHFFFAOYSA-N 0 0 443.459 4.663 50 0 IJAARN C[C@@H]1CCc2cc(F)cc3c(=O)c(C4N=NC(=S)N4c4ccc(F)c(Cl)c4)cn1c23 ZINC000032578932 556406076 /nfs/dbraw/zinc/40/60/76/556406076.db2.gz ORBJHLQPIZOADT-SNVBAGLBSA-N 0 0 444.894 4.977 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4cc(F)ccc4F)cc3)n2)cc1 ZINC000032578981 556406081 /nfs/dbraw/zinc/40/60/81/556406081.db2.gz BOCVAJDJGVELFP-UHFFFAOYSA-N 0 0 435.430 4.685 50 0 IJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1c(F)cc(F)cc1F ZINC000032578978 556406090 /nfs/dbraw/zinc/40/60/90/556406090.db2.gz YICIVHPHWMXBNE-UHFFFAOYSA-N 0 0 425.366 4.838 50 0 IJAARN COC(=O)c1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccccc2OC)cc1 ZINC000014250362 556408552 /nfs/dbraw/zinc/40/85/52/556408552.db2.gz MREGXZHCUVNLIF-UHFFFAOYSA-N 0 0 440.883 4.978 50 0 IJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3C)CC2)c(C)c1 ZINC000219306391 556409052 /nfs/dbraw/zinc/40/90/52/556409052.db2.gz IVCLLGPHHMJAEB-HXUWFJFHSA-N 0 0 432.611 4.521 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 ZINC000032622970 556410276 /nfs/dbraw/zinc/41/02/76/556410276.db2.gz MUOXPRLQTFUDTG-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)n2)cc1 ZINC000032624046 556411167 /nfs/dbraw/zinc/41/11/67/556411167.db2.gz HEIVPSBZLREPSJ-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1)c1nnc(Nc2ccccc2)s1 ZINC000032624713 556411464 /nfs/dbraw/zinc/41/14/64/556411464.db2.gz NYOYVDANIBJAAE-SFHVURJKSA-N 0 0 446.469 4.976 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)ccc12 ZINC000032671852 556414234 /nfs/dbraw/zinc/41/42/34/556414234.db2.gz UGXIYWVCVHYXID-SFHVURJKSA-N 0 0 434.473 4.513 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)ccc12 ZINC000032671850 556414270 /nfs/dbraw/zinc/41/42/70/556414270.db2.gz UGXIYWVCVHYXID-GOSISDBHSA-N 0 0 434.473 4.513 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000012940268 556416515 /nfs/dbraw/zinc/41/65/15/556416515.db2.gz DBDHVDGPBKCDNP-UHFFFAOYSA-N 0 0 431.492 4.667 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012974422 556420339 /nfs/dbraw/zinc/42/03/39/556420339.db2.gz XMNUWFCZLZQKIO-UHFFFAOYSA-N 0 0 445.548 4.589 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976455 556421918 /nfs/dbraw/zinc/42/19/18/556421918.db2.gz WPMORWHRGXLHGI-FRXJQHJJSA-N 0 0 436.474 4.731 50 0 IJAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012977649 556422456 /nfs/dbraw/zinc/42/24/56/556422456.db2.gz ZSQYBVWWUYOITH-CYBMUJFWSA-N 0 0 426.485 4.883 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cc(C)ccc1C)CC2 ZINC000012978559 556423127 /nfs/dbraw/zinc/42/31/27/556423127.db2.gz CNHXNSQNZNZJGO-HHHXNRCGSA-N 0 0 430.548 4.907 50 0 IJAARN CSc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012983556 556425692 /nfs/dbraw/zinc/42/56/92/556425692.db2.gz FUEAFJJPPRVHFB-UHFFFAOYSA-N 0 0 431.579 4.911 50 0 IJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)C2=O ZINC000012987854 556427806 /nfs/dbraw/zinc/42/78/06/556427806.db2.gz WOQHESFOXHJFEM-UHFFFAOYSA-N 0 0 427.589 4.974 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000012990506 556428322 /nfs/dbraw/zinc/42/83/22/556428322.db2.gz DBUIGQMMUPNLOM-RUZDIDTESA-N 0 0 442.563 4.833 50 0 IJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000032848693 556430834 /nfs/dbraw/zinc/43/08/34/556430834.db2.gz RCIWAFXGJGZFOM-GFCCVEGCSA-N 0 0 430.497 4.582 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012996134 556431055 /nfs/dbraw/zinc/43/10/55/556431055.db2.gz DTVNGSYOGXWFQC-HSZRJFAPSA-N 0 0 442.987 4.671 50 0 IJAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(C)c4ccccc4c3=O)n2)cc1 ZINC000012998161 556432188 /nfs/dbraw/zinc/43/21/88/556432188.db2.gz FTDHNAOOGPRHEZ-HNNXBMFYSA-N 0 0 432.549 4.981 50 0 IJAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000027822939 556433685 /nfs/dbraw/zinc/43/36/85/556433685.db2.gz CCAKNCPWLUAVDR-UHFFFAOYSA-N 0 0 437.005 4.728 50 0 IJAARN CCCCc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1 ZINC000027832707 556433928 /nfs/dbraw/zinc/43/39/28/556433928.db2.gz VMLWRUVWVQFACC-UHFFFAOYSA-N 0 0 438.334 4.761 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCO[C@H](c3ccccc3)C2)c1 ZINC000027907690 556435210 /nfs/dbraw/zinc/43/52/10/556435210.db2.gz DOZJNXKLASGCGH-VWLOTQADSA-N 0 0 439.515 4.762 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c1C ZINC000013014653 556436974 /nfs/dbraw/zinc/43/69/74/556436974.db2.gz FNXIRTBGKAUZQL-UHFFFAOYSA-N 0 0 431.945 4.753 50 0 IJAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1 ZINC000013019158 556439358 /nfs/dbraw/zinc/43/93/58/556439358.db2.gz YEZPWVCNHUTDOS-UHFFFAOYSA-N 0 0 448.420 4.555 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000013028163 556441290 /nfs/dbraw/zinc/44/12/90/556441290.db2.gz MZLBVLMQYIEVAK-SFHVURJKSA-N 0 0 438.572 4.872 50 0 IJAARN O=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(Br)cn2)CC1 ZINC000028026160 556442349 /nfs/dbraw/zinc/44/23/49/556442349.db2.gz LTYFBGMKZYNFMY-UHFFFAOYSA-N 0 0 437.341 4.550 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)NC3CCCC3)n2-c2cccc(C)c2)cc1 ZINC000028047471 556442541 /nfs/dbraw/zinc/44/25/41/556442541.db2.gz LYQRLOZXIOJXOM-UHFFFAOYSA-N 0 0 436.581 4.614 50 0 IJAARN Clc1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)no2)cc1 ZINC000028189648 556444887 /nfs/dbraw/zinc/44/48/87/556444887.db2.gz HVVNOQDKDWKEML-OAHLLOKOSA-N 0 0 428.857 4.578 50 0 IJAARN O=C(NCCc1ccc(F)cc1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000072272637 556445525 /nfs/dbraw/zinc/44/55/25/556445525.db2.gz PHDKLXGWICJSIX-AHWVRZQESA-N 0 0 430.523 4.665 50 0 IJAARN CCOC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)C1 ZINC000028287208 556447949 /nfs/dbraw/zinc/44/79/49/556447949.db2.gz ABUDCZKYIXYLHE-IBGZPJMESA-N 0 0 428.492 4.731 50 0 IJAARN CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1Cl ZINC000028289026 556448815 /nfs/dbraw/zinc/44/88/15/556448815.db2.gz VLZKSTRMQGXIIP-FQEVSTJZSA-N 0 0 426.944 4.876 50 0 IJAARN CCCCCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)cc1OC ZINC000028290287 556449480 /nfs/dbraw/zinc/44/94/80/556449480.db2.gz VYZRDLAMFWDXAT-OAQYLSRUSA-N 0 0 434.602 4.646 50 0 IJAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c(C)s1 ZINC000013072327 556453981 /nfs/dbraw/zinc/45/39/81/556453981.db2.gz ZAEAGOWLVDPPOL-UHFFFAOYSA-N 0 0 438.343 4.581 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000013072942 556454051 /nfs/dbraw/zinc/45/40/51/556454051.db2.gz ACHCLOAEIFKPLR-FQEVSTJZSA-N 0 0 444.553 4.974 50 0 IJAARN CC[C@H](NC(=O)Nc1cccc(OC)c1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275183 556455436 /nfs/dbraw/zinc/45/54/36/556455436.db2.gz PCEMXRIMPJAERA-INIZCTEOSA-N 0 0 431.290 4.781 50 0 IJAARN COc1ccc(C(=O)OCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000013075934 556455680 /nfs/dbraw/zinc/45/56/80/556455680.db2.gz HGYJREZJCAIPRN-UHFFFAOYSA-N 0 0 441.487 4.652 50 0 IJAARN COCCN(Cc1cccs1)C(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032958532 556457288 /nfs/dbraw/zinc/45/72/88/556457288.db2.gz GOOUYCZJIFMKAI-UHFFFAOYSA-N 0 0 437.496 4.893 50 0 IJAARN O=C(Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cc(Cl)c2c(c1)OCCCO2 ZINC000013098398 556459121 /nfs/dbraw/zinc/45/91/21/556459121.db2.gz LVQXOAUGOLOEGG-UHFFFAOYSA-N 0 0 440.757 4.846 50 0 IJAARN CC1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)CC1 ZINC000028777789 556460606 /nfs/dbraw/zinc/46/06/06/556460606.db2.gz HOKMZTVXTNEVBR-KOBHVQJXSA-N 0 0 437.971 4.857 50 0 IJAARN CCCCOc1c(Cl)cc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000013102830 556461342 /nfs/dbraw/zinc/46/13/42/556461342.db2.gz BZRBVGAVKQEJGQ-UHFFFAOYSA-N 0 0 426.922 4.721 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)cc1 ZINC000028847076 556462387 /nfs/dbraw/zinc/46/23/87/556462387.db2.gz QSLYWPXEJPXCJU-UHFFFAOYSA-N 0 0 443.532 4.695 50 0 IJAARN Cc1sc2[nH]c([C@@H](C)Sc3nnnn3-c3ccc(C(C)C)cc3)nc(=O)c2c1C ZINC000013112467 556464813 /nfs/dbraw/zinc/46/48/13/556464813.db2.gz WTUHCZJFHSFTNJ-CYBMUJFWSA-N 0 0 426.571 4.554 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2cccc(F)c2)n1C[C@@H]1CCCO1 ZINC000014968394 556466400 /nfs/dbraw/zinc/46/64/00/556466400.db2.gz BAFHLRVTSHHBIA-QFIPXVFZSA-N 0 0 440.588 4.829 50 0 IJAARN CO[C@@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1)c1ccccc1 ZINC000014973382 556467818 /nfs/dbraw/zinc/46/78/18/556467818.db2.gz ULPYOBNDGLAKMJ-FDDCHVKYSA-N 0 0 439.508 4.564 50 0 IJAARN CCCCNc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000013116097 556468518 /nfs/dbraw/zinc/46/85/18/556468518.db2.gz PSFZQBVJQSIXOB-UHFFFAOYSA-N 0 0 434.587 4.913 50 0 IJAARN CCc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000013117308 556469748 /nfs/dbraw/zinc/46/97/48/556469748.db2.gz ZQJJPOARLHROBW-XMMPIXPASA-N 0 0 433.577 4.520 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)c2cc(COc3cccc4cccnc43)on2)c1 ZINC000014978930 556469925 /nfs/dbraw/zinc/46/99/25/556469925.db2.gz YDUXXXHVGYLRFP-QFIPXVFZSA-N 0 0 429.476 4.788 50 0 IJAARN Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000013117621 556470458 /nfs/dbraw/zinc/47/04/58/556470458.db2.gz GXZHIOVQKKFUSB-UHFFFAOYSA-N 0 0 438.578 4.707 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(N(C)CC(=O)Nc3c(C)cccc3C)c2c1C ZINC000013117598 556470523 /nfs/dbraw/zinc/47/05/23/556470523.db2.gz PKABIAQCRAPHGW-UHFFFAOYSA-N 0 0 437.613 4.596 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H]4CCSc5ccccc54)c(=O)c23)cc1 ZINC000013119673 556471729 /nfs/dbraw/zinc/47/17/29/556471729.db2.gz DBKQYEXDSMPLNS-IBGZPJMESA-N 0 0 447.585 4.787 50 0 IJAARN CCCCc1nc2ccccc2n1CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000013121588 556474446 /nfs/dbraw/zinc/47/44/46/556474446.db2.gz GYLBOOVIGOJKLQ-UHFFFAOYSA-N 0 0 444.329 4.551 50 0 IJAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013128096 556477156 /nfs/dbraw/zinc/47/71/56/556477156.db2.gz CJQZWKAXSGXSLA-MRXNPFEDSA-N 0 0 436.512 4.824 50 0 IJAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013128097 556477204 /nfs/dbraw/zinc/47/72/04/556477204.db2.gz CJQZWKAXSGXSLA-INIZCTEOSA-N 0 0 436.512 4.824 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3F)[C@H]2c2ccccc2)cc1 ZINC000013128212 556477476 /nfs/dbraw/zinc/47/74/76/556477476.db2.gz ANWIAVXAQPMCTN-WIOPSUGQSA-N 0 0 432.495 4.635 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013128809 556478525 /nfs/dbraw/zinc/47/85/25/556478525.db2.gz YMJAHWZRTWNZIH-MRXNPFEDSA-N 0 0 435.578 4.580 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2Cc2ccco2)c1 ZINC000013129507 556479226 /nfs/dbraw/zinc/47/92/26/556479226.db2.gz FRPJAUZADZVMAR-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN COc1ccc(-n2c(CNC(=O)CC3CCCC3)nnc2SCc2ccccc2)cc1 ZINC000015002645 556480399 /nfs/dbraw/zinc/48/03/99/556480399.db2.gz OHQZBCLDBHUIKB-UHFFFAOYSA-N 0 0 436.581 4.765 50 0 IJAARN C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013133862 556481787 /nfs/dbraw/zinc/48/17/87/556481787.db2.gz BOAFEMMQHCCLSQ-CQSZACIVSA-N 0 0 449.557 4.884 50 0 IJAARN Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000013134637 556482657 /nfs/dbraw/zinc/48/26/57/556482657.db2.gz SRAYNVFFUZGDRI-UHFFFAOYSA-N 0 0 430.965 4.784 50 0 IJAARN O=c1/c(=C/c2ccccc2OCc2c(F)cccc2Cl)sc2nc3ccccc3n12 ZINC000015012083 556483417 /nfs/dbraw/zinc/48/34/17/556483417.db2.gz GCFLXUVOVPXYDZ-MTJSOVHGSA-N 0 0 436.895 4.828 50 0 IJAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1 ZINC000015013440 556484475 /nfs/dbraw/zinc/48/44/75/556484475.db2.gz YBSHLASVSIXTBL-HYARGMPZSA-N 0 0 446.478 4.896 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1 ZINC000013147869 556489026 /nfs/dbraw/zinc/48/90/26/556489026.db2.gz KVFIJFPQDKWXSW-UHFFFAOYSA-N 0 0 428.444 4.801 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(F)c(F)c1F ZINC000013148369 556489672 /nfs/dbraw/zinc/48/96/72/556489672.db2.gz ZSXGMVXDWJIXRT-UHFFFAOYSA-N 0 0 444.232 4.647 50 0 IJAARN CCOc1ncccc1CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000030307862 556492725 /nfs/dbraw/zinc/49/27/25/556492725.db2.gz HVLRBHCLJZNALO-RUZDIDTESA-N 0 0 431.561 4.907 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)c(OC)c1 ZINC000013164356 556496516 /nfs/dbraw/zinc/49/65/16/556496516.db2.gz UPFQXTZPVPYGHE-UHFFFAOYSA-N 0 0 449.536 4.563 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000013164642 556497029 /nfs/dbraw/zinc/49/70/29/556497029.db2.gz BPNHFDFTCYMVEZ-UHFFFAOYSA-N 0 0 435.578 4.505 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccncc2)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032707880 556499020 /nfs/dbraw/zinc/49/90/20/556499020.db2.gz JFOXCPGJYGCPQD-UHFFFAOYSA-N 0 0 447.364 4.635 50 0 IJAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N(Cc2ccccc2)CC2CC2)no1 ZINC000015076305 556499145 /nfs/dbraw/zinc/49/91/45/556499145.db2.gz GHKIIEONUSUAME-UHFFFAOYSA-N 0 0 426.900 4.968 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc(C(C)=O)s2)CC1 ZINC000015079187 556500331 /nfs/dbraw/zinc/50/03/31/556500331.db2.gz SMXPJLSCDXAYLF-UHFFFAOYSA-N 0 0 427.566 4.759 50 0 IJAARN Cc1c([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000030649247 556501176 /nfs/dbraw/zinc/50/11/76/556501176.db2.gz YDPLLJPEJFQTLL-OAHLLOKOSA-N 0 0 439.441 4.876 50 0 IJAARN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000015127669 556505618 /nfs/dbraw/zinc/50/56/18/556505618.db2.gz AJYXVHZURKQXKS-UHFFFAOYSA-N 0 0 446.620 4.776 50 0 IJAARN CC(C)Oc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000030835840 556507190 /nfs/dbraw/zinc/50/71/90/556507190.db2.gz KNFKAURBGXBISZ-UHFFFAOYSA-N 0 0 445.544 4.904 50 0 IJAARN O=C(Nc1cccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)c1)c1ccccc1Cl ZINC000015263137 556514035 /nfs/dbraw/zinc/51/40/35/556514035.db2.gz BXBMWOBWIRNUNE-ODLFYWEKSA-N 0 0 446.846 4.666 50 0 IJAARN Cc1csc(=O)n1CCCC(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000030872769 556514077 /nfs/dbraw/zinc/51/40/77/556514077.db2.gz LAYQGAYCJYFGAO-UHFFFAOYSA-N 0 0 442.381 4.597 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1OC ZINC000032895205 556514852 /nfs/dbraw/zinc/51/48/52/556514852.db2.gz JUKRWNFKCOQILB-GOSISDBHSA-N 0 0 433.464 4.786 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000013555865 556516481 /nfs/dbraw/zinc/51/64/81/556516481.db2.gz IRZADHBFQPYTTP-DEOSSOPVSA-N 0 0 441.483 4.598 50 0 IJAARN CCC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000015304141 556517559 /nfs/dbraw/zinc/51/75/59/556517559.db2.gz PECQNDQJSZOQRQ-UHFFFAOYSA-N 0 0 427.456 4.916 50 0 IJAARN CCn1c(=O)c2cc(I)ccc2nc1/C=C/c1ccccc1Cl ZINC000013564565 556518455 /nfs/dbraw/zinc/51/84/55/556518455.db2.gz CWNBXRNKDDDPSX-JXMROGBWSA-N 0 0 436.680 4.845 50 0 IJAARN CC(C)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1nc2ccccc2[nH]1 ZINC000032892800 556520408 /nfs/dbraw/zinc/52/04/08/556520408.db2.gz DYQAPMZHAROONT-JOCHJYFZSA-N 0 0 431.515 4.894 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000013568957 556521206 /nfs/dbraw/zinc/52/12/06/556521206.db2.gz KXGRNDOGBVSZTN-SNVBAGLBSA-N 0 0 434.308 4.566 50 0 IJAARN O=C(NCCCCOc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000011079064 556521191 /nfs/dbraw/zinc/52/11/91/556521191.db2.gz CSCSSRYFXBBQFE-UHFFFAOYSA-N 0 0 426.520 4.582 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)N3C[C@@H](C)CN(Cc4ccccc4)c4ccccc43)ccc21 ZINC000072297032 556522493 /nfs/dbraw/zinc/52/24/93/556522493.db2.gz AFUWKQTYMODCBN-FQEVSTJZSA-N 0 0 439.559 4.899 50 0 IJAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccco1 ZINC000013573593 556524115 /nfs/dbraw/zinc/52/41/15/556524115.db2.gz JKEVFVJHGYDXNW-OAQYLSRUSA-N 0 0 426.432 4.596 50 0 IJAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000015397486 556524170 /nfs/dbraw/zinc/52/41/70/556524170.db2.gz TZILNWQXFLEQID-SANMLTNESA-N 0 0 439.471 4.506 50 0 IJAARN Clc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000015402657 556524571 /nfs/dbraw/zinc/52/45/71/556524571.db2.gz GWFUDAZMGZXUJF-UHFFFAOYSA-N 0 0 439.766 4.536 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2/C(C)=C/c2ccccc2)cc1 ZINC000015412457 556525191 /nfs/dbraw/zinc/52/51/91/556525191.db2.gz JAPQYSPXNZKVML-QQDPUAARSA-N 0 0 430.479 4.686 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412419 556525192 /nfs/dbraw/zinc/52/51/92/556525192.db2.gz YNIOJCBXGPZAGH-AREMUKBSSA-N 0 0 444.531 4.948 50 0 IJAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015413008 556525716 /nfs/dbraw/zinc/52/57/16/556525716.db2.gz LWRLQXPKBMWVMJ-SANMLTNESA-N 0 0 444.531 4.832 50 0 IJAARN COc1ccc(C2=N/C(=C3/C=C(c4ccc5c(c4)OCO5)Oc4ccccc43)C(=O)O2)cc1 ZINC000013592016 556529983 /nfs/dbraw/zinc/52/99/83/556529983.db2.gz VYIUBRIWTBFZHS-CLCOLTQESA-N 0 0 439.423 4.572 50 0 IJAARN Clc1ccccc1CN1CCO[C@@H](CSc2nnc(C3CC3)n2-c2ccccc2)C1 ZINC000015480325 556530025 /nfs/dbraw/zinc/53/00/25/556530025.db2.gz MTBRUCQKWZARNV-HXUWFJFHSA-N 0 0 441.000 4.791 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3cccc(Cl)c3)nn2c(C)c1Cc1ccccc1Cl ZINC000013623587 556536041 /nfs/dbraw/zinc/53/60/41/556536041.db2.gz NLTVOVLWPFDUSV-UHFFFAOYSA-N 0 0 440.334 4.820 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000015604946 556537311 /nfs/dbraw/zinc/53/73/11/556537311.db2.gz KNNWUDVFOCSEGI-HXUWFJFHSA-N 0 0 433.474 4.689 50 0 IJAARN CCc1c(-c2ccccc2)c(N)c(Sc2nnc(C)s2)c(=O)n1-c1ccccc1N ZINC000013636578 556541198 /nfs/dbraw/zinc/54/11/98/556541198.db2.gz FYMUIQLUSSIMPL-UHFFFAOYSA-N 0 0 435.578 4.542 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3F)n2CC(C)C)cc1 ZINC000032579578 556541582 /nfs/dbraw/zinc/54/15/82/556541582.db2.gz DCSNYFSPRLUDKO-UHFFFAOYSA-N 0 0 442.560 4.712 50 0 IJAARN COC(=O)c1cc(-c2ccc(F)cc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645621 556543546 /nfs/dbraw/zinc/54/35/46/556543546.db2.gz ALVRBJWKXUTYBA-UHFFFAOYSA-N 0 0 430.361 4.766 50 0 IJAARN CCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Br)c(C)c3)cc2s1 ZINC000032959658 556549584 /nfs/dbraw/zinc/54/95/84/556549584.db2.gz CYHAVGBCOOZKQL-UHFFFAOYSA-N 0 0 432.343 4.897 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)cc1 ZINC000015777201 556550533 /nfs/dbraw/zinc/55/05/33/556550533.db2.gz LCFONHYYWNBYLA-HNNXBMFYSA-N 0 0 434.751 4.547 50 0 IJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)cc1)C2 ZINC000015778822 556550820 /nfs/dbraw/zinc/55/08/20/556550820.db2.gz IAVLFKOYIZZLNC-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN CCOc1ccccc1[C@@H]1Oc2nc(SCC)nnc2-c2cc(C)ccc2N1C(C)=O ZINC000032997487 556551389 /nfs/dbraw/zinc/55/13/89/556551389.db2.gz KJGPSWLTGOAODV-QFIPXVFZSA-N 0 0 436.537 4.802 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1F)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997900 556551957 /nfs/dbraw/zinc/55/19/57/556551957.db2.gz JLDBVBZRXCMHJK-LJQANCHMSA-N 0 0 432.427 4.512 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997695 556551985 /nfs/dbraw/zinc/55/19/85/556551985.db2.gz DWBLFHPFIQYTQB-NRFANRHFSA-N 0 0 442.491 4.990 50 0 IJAARN COc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000015800328 556552784 /nfs/dbraw/zinc/55/27/84/556552784.db2.gz ZCFWJEDZVYLQFZ-WQRHYEAKSA-N 0 0 433.913 4.747 50 0 IJAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)c2c1C ZINC000032959952 556553572 /nfs/dbraw/zinc/55/35/72/556553572.db2.gz GPQIKMPQBXZAAZ-ZDUSSCGKSA-N 0 0 447.308 4.596 50 0 IJAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000033086775 556553944 /nfs/dbraw/zinc/55/39/44/556553944.db2.gz IKKIPRLPJSQILC-OAHLLOKOSA-N 0 0 445.401 4.590 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033115415 556555005 /nfs/dbraw/zinc/55/50/05/556555005.db2.gz NDDDXIPNFJALNQ-UHFFFAOYSA-N 0 0 426.582 4.701 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000033115397 556555024 /nfs/dbraw/zinc/55/50/24/556555024.db2.gz PBDKQUGWJIXVPV-UHFFFAOYSA-N 0 0 426.582 4.666 50 0 IJAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)N4CCCCCC4)ccc3c2=O)cc1 ZINC000013681806 556557077 /nfs/dbraw/zinc/55/70/77/556557077.db2.gz KTHKZNWBLREQHQ-UHFFFAOYSA-N 0 0 437.492 4.684 50 0 IJAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1 ZINC000033270000 556557920 /nfs/dbraw/zinc/55/79/20/556557920.db2.gz CFCKUVIQXVADAI-MRXNPFEDSA-N 0 0 433.434 4.714 50 0 IJAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)s2)ccn1 ZINC000071283682 556559567 /nfs/dbraw/zinc/55/95/67/556559567.db2.gz NRNFGPXIEOYAOL-UHFFFAOYSA-N 0 0 427.526 4.744 50 0 IJAARN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1csc(-c2cc(Br)cs2)n1 ZINC000072307218 556561752 /nfs/dbraw/zinc/56/17/52/556561752.db2.gz FQUZQZFXSVWAND-TZMCWYRMSA-N 0 0 437.388 4.744 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000015913240 556563116 /nfs/dbraw/zinc/56/31/16/556563116.db2.gz OWQVVOZOHJZMFD-INIZCTEOSA-N 0 0 443.347 4.991 50 0 IJAARN O=C(OCc1csc(COc2ccc(Cl)cc2)n1)c1ccc(-n2cccn2)cc1 ZINC000032908011 556563931 /nfs/dbraw/zinc/56/39/31/556563931.db2.gz YVWGAIIQSLDZSR-UHFFFAOYSA-N 0 0 425.897 4.918 50 0 IJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1OC(=O)c1ccccc1 ZINC000015945246 556566655 /nfs/dbraw/zinc/56/66/55/556566655.db2.gz UOAPLSIBJCUZMP-JLCFBVMHSA-N 0 0 448.544 4.955 50 0 IJAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2F)CC[C@H](C)C3)CC1 ZINC000015946883 556567779 /nfs/dbraw/zinc/56/77/79/556567779.db2.gz RSBKISSDZLIRFG-INIZCTEOSA-N 0 0 443.588 4.935 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000015960163 556569449 /nfs/dbraw/zinc/56/94/49/556569449.db2.gz WOHFBXTXMVKTNS-UHFFFAOYSA-N 0 0 434.561 4.623 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)coc2c1 ZINC000015995868 556571729 /nfs/dbraw/zinc/57/17/29/556571729.db2.gz DAXLVJIIWJRLOW-UHFFFAOYSA-N 0 0 434.517 4.748 50 0 IJAARN COc1cc(SC)ccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000016016836 556574451 /nfs/dbraw/zinc/57/44/51/556574451.db2.gz ZJRDFORCROUJEG-UHFFFAOYSA-N 0 0 448.610 4.623 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001209645 556574450 /nfs/dbraw/zinc/57/44/50/556574450.db2.gz QODAZHNIFMFMGF-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN CCCCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001777492 556574796 /nfs/dbraw/zinc/57/47/96/556574796.db2.gz FNQHGJAKSWSQEQ-QHCPKHFHSA-N 0 0 442.515 4.712 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000016028057 556576547 /nfs/dbraw/zinc/57/65/47/556576547.db2.gz YWTOGIDBSRSNAX-MRXNPFEDSA-N 0 0 441.778 4.593 50 0 IJAARN C[C@H](NC(=O)Cn1ccc(=O)c2cccc(OC(F)(F)F)c21)c1ccc2ccccc2c1 ZINC000072311085 556577309 /nfs/dbraw/zinc/57/73/09/556577309.db2.gz PHURZIUOUWZMFU-HNNXBMFYSA-N 0 0 440.421 4.931 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3s2)c1 ZINC000016043785 556578406 /nfs/dbraw/zinc/57/84/06/556578406.db2.gz ZSSLFTATKQGWNN-UHFFFAOYSA-N 0 0 444.578 4.607 50 0 IJAARN Cc1ccc(OCCNC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c(C)c1 ZINC000016047111 556580590 /nfs/dbraw/zinc/58/05/90/556580590.db2.gz MMLXKIMDOWSHQC-UHFFFAOYSA-N 0 0 430.548 4.504 50 0 IJAARN O=C(NC1CCCCC1)[C@H](/C(Cl)=C/c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000034720011 556581493 /nfs/dbraw/zinc/58/14/93/556581493.db2.gz CCYJKVSNKCOMKK-MKEBKOIESA-N 0 0 438.015 4.906 50 0 IJAARN CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000016173823 556587046 /nfs/dbraw/zinc/58/70/46/556587046.db2.gz AUEQUGGCWSIFKA-UHFFFAOYSA-N 0 0 440.540 4.542 50 0 IJAARN O=C(c1ccccc1Br)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000016183079 556587459 /nfs/dbraw/zinc/58/74/59/556587459.db2.gz VTDVVXNYHDUXPD-MRXNPFEDSA-N 0 0 447.638 4.604 50 0 IJAARN COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000016194050 556589285 /nfs/dbraw/zinc/58/92/85/556589285.db2.gz NWYAFNXZIXYAFB-BBITVKMKSA-N 0 0 443.886 4.523 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(Cl)c1Cl ZINC000016248327 556594235 /nfs/dbraw/zinc/59/42/35/556594235.db2.gz PVRXGGQGMXMBJX-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(Cl)cc1 ZINC000016263169 556595405 /nfs/dbraw/zinc/59/54/05/556595405.db2.gz RXHSOPGDGBOWFI-HXUWFJFHSA-N 0 0 438.940 4.628 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2F)cc1 ZINC000016309782 556599183 /nfs/dbraw/zinc/59/91/83/556599183.db2.gz IJHUNYWMLKKNAB-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2ccc(OC)c(F)c2)cc1 ZINC000071768753 556600663 /nfs/dbraw/zinc/60/06/63/556600663.db2.gz JMUPNHMERNLRHR-UHFFFAOYSA-N 0 0 442.537 4.955 50 0 IJAARN COC(=O)c1c2c(sc1NC(=S)Nc1cccc(Cn3cc(Cl)cn3)c1)CCC2 ZINC000016345338 556601052 /nfs/dbraw/zinc/60/10/52/556601052.db2.gz HTJXHSLDZHODTO-UHFFFAOYSA-N 0 0 446.985 4.731 50 0 IJAARN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000060269117 556601115 /nfs/dbraw/zinc/60/11/15/556601115.db2.gz URHRIEGOOBKRCV-CQSZACIVSA-N 0 0 441.359 4.923 50 0 IJAARN COc1ccc(NC(=S)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000016346042 556601406 /nfs/dbraw/zinc/60/14/06/556601406.db2.gz XFFBEOFDKMPUDM-UHFFFAOYSA-N 0 0 440.396 4.525 50 0 IJAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1cccnc1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376692 556602366 /nfs/dbraw/zinc/60/23/66/556602366.db2.gz IOLRYVXOJDBTJA-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000016362562 556603120 /nfs/dbraw/zinc/60/31/20/556603120.db2.gz GXCSRAXEULAAIF-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN Cn1c(COc2ccc(C3CCCCC3)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000016381841 556603903 /nfs/dbraw/zinc/60/39/03/556603903.db2.gz JKDSYEOKCQOIGZ-UHFFFAOYSA-N 0 0 443.598 4.629 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1 ZINC000032988793 556609031 /nfs/dbraw/zinc/60/90/31/556609031.db2.gz UTCKKHMJNRGUPY-ZCYQVOJMSA-N 0 0 448.588 4.908 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 ZINC000016474339 556609949 /nfs/dbraw/zinc/60/99/49/556609949.db2.gz MCLLTHVUULDDRV-JOCHJYFZSA-N 0 0 437.540 4.606 50 0 IJAARN COC(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000038469458 556612616 /nfs/dbraw/zinc/61/26/16/556612616.db2.gz RJYASJYIIVRJNV-OKLSWEBGSA-N 0 0 435.495 4.607 50 0 in-vitro IJAARN OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000016524075 556614010 /nfs/dbraw/zinc/61/40/10/556614010.db2.gz NQXNYVAALXGLQT-UHFFFAOYSA-N 0 0 438.523 4.792 50 0 IJAARN COCCCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)CCC1CCCC1 ZINC000033712977 556623999 /nfs/dbraw/zinc/62/39/99/556623999.db2.gz WOLCPRRCIFYIAM-UHFFFAOYSA-N 0 0 440.584 4.644 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCCc4cccs4)cc3)n2)cc1 ZINC000032999074 556626725 /nfs/dbraw/zinc/62/67/25/556626725.db2.gz OXIKLTBRLIGSIT-UHFFFAOYSA-N 0 0 447.585 4.726 50 0 IJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1 ZINC000033726476 556627319 /nfs/dbraw/zinc/62/73/19/556627319.db2.gz PJOUQPVUYSMVDU-NRFANRHFSA-N 0 0 448.563 4.800 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000097938697 556634990 /nfs/dbraw/zinc/63/49/90/556634990.db2.gz AIPHMXASEIRBBI-HXUWFJFHSA-N 0 0 427.508 4.894 50 0 IJAARN CCOc1ccc(C(=O)N2CC[C@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1 ZINC000097938664 556635167 /nfs/dbraw/zinc/63/51/67/556635167.db2.gz CQMGUGOCXRKFEL-FQEVSTJZSA-N 0 0 442.519 4.593 50 0 IJAARN CCCOc1ccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742191 556636103 /nfs/dbraw/zinc/63/61/03/556636103.db2.gz GPQNNPYVHXYURX-QFIPXVFZSA-N 0 0 443.609 4.602 50 0 IJAARN CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 ZINC000016749820 556636838 /nfs/dbraw/zinc/63/68/38/556636838.db2.gz AAUMVUCJLVNIOE-HSZRJFAPSA-N 0 0 435.520 4.944 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OCC ZINC000016753889 556638712 /nfs/dbraw/zinc/63/87/12/556638712.db2.gz GEMYUHZNAZDHCV-UHFFFAOYSA-N 0 0 439.512 4.849 50 0 IJAARN COc1cc(Cl)c(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)cc1Cl ZINC000016780450 556641375 /nfs/dbraw/zinc/64/13/75/556641375.db2.gz PHPZSTMXNDIVKU-UHFFFAOYSA-N 0 0 449.359 4.801 50 0 IJAARN CCc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)c1 ZINC000040484868 556643753 /nfs/dbraw/zinc/64/37/53/556643753.db2.gz KICCNKALTBISTR-UHFFFAOYSA-N 0 0 440.478 4.656 50 0 IJAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)NCc1cccs1 ZINC000016835258 556645561 /nfs/dbraw/zinc/64/55/61/556645561.db2.gz ALXHMNCMUFRLKY-ZDUSSCGKSA-N 0 0 436.002 4.564 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000016844985 556646566 /nfs/dbraw/zinc/64/65/66/556646566.db2.gz FMBNFHHPOGACHY-UHFFFAOYSA-N 0 0 449.557 4.595 50 0 IJAARN CCOc1ccc(-c2csc(-c3nnn(-c4cc(Cl)ccc4OC)c3N)n2)cc1 ZINC000038486705 556648836 /nfs/dbraw/zinc/64/88/36/556648836.db2.gz PNXJHEXQBSBRGN-UHFFFAOYSA-N 0 0 427.917 4.701 50 0 IJAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccccc1C(F)(F)F ZINC000011739366 556649298 /nfs/dbraw/zinc/64/92/98/556649298.db2.gz IYOZKTSAUPOXHJ-UHFFFAOYSA-N 0 0 438.456 4.540 50 0 IJAARN COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 ZINC000016973304 556651806 /nfs/dbraw/zinc/65/18/06/556651806.db2.gz RPNJRJGKQOLZEK-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN O=C(CCOc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000071821315 556652305 /nfs/dbraw/zinc/65/23/05/556652305.db2.gz ORIQURXMRRUILN-SFHVURJKSA-N 0 0 437.927 4.534 50 0 IJAARN Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017016992 556653070 /nfs/dbraw/zinc/65/30/70/556653070.db2.gz JMSAQMIVZKFJBF-UHFFFAOYSA-N 0 0 438.936 4.885 50 0 IJAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCCCC4)s3)c2C)cc1 ZINC000033000035 556653971 /nfs/dbraw/zinc/65/39/71/556653971.db2.gz YRBPHEKKCKWZBJ-UHFFFAOYSA-N 0 0 438.597 4.870 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000033006792 556655660 /nfs/dbraw/zinc/65/56/60/556655660.db2.gz VIACYSPLNOHDLL-UHFFFAOYSA-N 0 0 447.604 4.852 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccccc3C)ncn2)C[C@H]1C)c1ccccc1 ZINC000248016002 556655934 /nfs/dbraw/zinc/65/59/34/556655934.db2.gz LAVLKUZJVZNZGJ-IFMALSPDSA-N 0 0 430.552 4.808 50 0 IJAARN O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)NCc1ccccc1Cl ZINC000011794146 556656305 /nfs/dbraw/zinc/65/63/05/556656305.db2.gz QWWHWQSNLBIQTN-UHFFFAOYSA-N 0 0 446.985 4.633 50 0 IJAARN COc1cc(OC)cc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)c1 ZINC000017094649 556657907 /nfs/dbraw/zinc/65/79/07/556657907.db2.gz SCCLIOBCEOXGDJ-UHFFFAOYSA-N 0 0 425.938 4.799 50 0 IJAARN CC(C)CCn1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc2c1=O ZINC000011828891 556658782 /nfs/dbraw/zinc/65/87/82/556658782.db2.gz GJIIBTWVGZAQJX-IBGZPJMESA-N 0 0 437.609 4.672 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)N[C@H]4CCCc5ccccc54)C3)n2)cc1 ZINC000248077802 556661175 /nfs/dbraw/zinc/66/11/75/556661175.db2.gz IXYMJZQNQIQWEW-VWNXMTODSA-N 0 0 426.564 4.862 50 0 IJAARN C[C@@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[nH]c3=S)CCCC5)csc2C1 ZINC000017097679 556661981 /nfs/dbraw/zinc/66/19/81/556661981.db2.gz JTWOSPHTAHDRDF-SNVBAGLBSA-N 0 0 431.608 4.570 50 0 IJAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000011855649 556662106 /nfs/dbraw/zinc/66/21/06/556662106.db2.gz NXKOJEOTENAERO-UHFFFAOYSA-N 0 0 445.504 4.806 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccc(OC)cc2)no1 ZINC000033013008 556662449 /nfs/dbraw/zinc/66/24/49/556662449.db2.gz NLBTVOASTSSSIC-UHFFFAOYSA-N 0 0 445.475 4.975 50 0 IJAARN CCn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000017098164 556662741 /nfs/dbraw/zinc/66/27/41/556662741.db2.gz CZBZPNOYRXMRLG-UHFFFAOYSA-N 0 0 432.590 4.559 50 0 IJAARN COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013503 556664122 /nfs/dbraw/zinc/66/41/22/556664122.db2.gz OFUFJUXMVNTHEQ-UHFFFAOYSA-N 0 0 441.553 4.580 50 0 IJAARN CC[C@H](C)c1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)cc1 ZINC000017101767 556666305 /nfs/dbraw/zinc/66/63/05/556666305.db2.gz ILATVVMBJBHOTJ-LBPRGKRZSA-N 0 0 437.915 4.746 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1OC ZINC000017135386 556669204 /nfs/dbraw/zinc/66/92/04/556669204.db2.gz HSTQWPFTUJLACW-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 ZINC000017306661 556675083 /nfs/dbraw/zinc/67/50/83/556675083.db2.gz WXDNLGCBWRPOCM-UHFFFAOYSA-N 0 0 446.532 4.612 50 0 IJAARN C[C@@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2cc(C(F)(F)F)ccc2S1 ZINC000032933472 556677585 /nfs/dbraw/zinc/67/75/85/556677585.db2.gz LAXFJMAKUHEBKY-CYBMUJFWSA-N 0 0 443.512 4.781 50 0 IJAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000018210250 556687135 /nfs/dbraw/zinc/68/71/35/556687135.db2.gz RYHWSKDNIQVBKD-DNVCBOLYSA-N 0 0 444.413 4.833 50 0 aggregator IJAARN COc1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4cccc(F)c4)c3nc2OC)cc1 ZINC000046006729 556690611 /nfs/dbraw/zinc/69/06/11/556690611.db2.gz FXWRVJMETDMBOC-UHFFFAOYSA-N 0 0 448.498 4.765 50 0 IJAARN Cc1cc(Nc2nc3ccccc3nc2C(=O)OC[C@@H]2CCCO2)ccc1Br ZINC000046141167 556692533 /nfs/dbraw/zinc/69/25/33/556692533.db2.gz RKASWILLCCPSAJ-HNNXBMFYSA-N 0 0 442.313 4.780 50 0 IJAARN CC(C)c1ccc(/C=C/C(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000013692338 556712031 /nfs/dbraw/zinc/71/20/31/556712031.db2.gz WLBRVJZWQHPRFI-FLSMSTFGSA-N 0 0 449.576 4.685 50 0 IJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Cc1c(F)cccc1Cl ZINC000013708839 556715521 /nfs/dbraw/zinc/71/55/21/556715521.db2.gz WYKMAGRQYJBUPB-UHFFFAOYSA-N 0 0 435.886 4.976 50 0 IJAARN Cc1nn(-c2ccc(C(=O)NC3CCCC3)cc2)c(NC(=O)C2CC2)c1-c1ccccc1 ZINC000033037374 556722721 /nfs/dbraw/zinc/72/27/21/556722721.db2.gz ALGYSGFOFIRBSR-UHFFFAOYSA-N 0 0 428.536 4.869 50 0 IJAARN CSc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000072328497 556725881 /nfs/dbraw/zinc/72/58/81/556725881.db2.gz ZILNWIPBURDEOH-UHFFFAOYSA-N 0 0 427.570 4.897 50 0 IJAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CCC4)s3)c(Cl)cc12 ZINC000061721167 556728792 /nfs/dbraw/zinc/72/87/92/556728792.db2.gz GWKSURUWAQGJAD-UHFFFAOYSA-N 0 0 433.917 4.535 50 0 IJAARN Cn1c(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)nc2ccccc21 ZINC000055119318 556735260 /nfs/dbraw/zinc/73/52/60/556735260.db2.gz NEMVKWYFIXIZIW-QHCPKHFHSA-N 0 0 441.535 4.754 50 0 IJAARN O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019315513 556735866 /nfs/dbraw/zinc/73/58/66/556735866.db2.gz LZUWFVUESRBSLI-CQSZACIVSA-N 0 0 428.585 4.751 50 0 IJAARN CN1CCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000055480096 556741510 /nfs/dbraw/zinc/74/15/10/556741510.db2.gz UDQVONKYWXYONM-SFHVURJKSA-N 0 0 439.625 4.539 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000019358094 556745446 /nfs/dbraw/zinc/74/54/46/556745446.db2.gz JLXZZURWRYQYQF-UHFFFAOYSA-N 0 0 425.916 4.736 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000058157369 556762966 /nfs/dbraw/zinc/76/29/66/556762966.db2.gz QGXRXFOOFXKUQD-UHFFFAOYSA-N 0 0 447.579 4.685 50 0 IJAARN CC(=O)c1ccc(N2CCN([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)cc1 ZINC000058219010 556773300 /nfs/dbraw/zinc/77/33/00/556773300.db2.gz MOSHVHFHZWOYPU-VWLOTQADSA-N 0 0 431.511 4.530 50 0 IJAARN O=C(CCCNC(=O)c1ccco1)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000058245685 556775262 /nfs/dbraw/zinc/77/52/62/556775262.db2.gz PXAJTPXWMNDRPH-UHFFFAOYSA-N 0 0 447.373 4.614 50 0 IJAARN CC[C@]1(c2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CCC(=O)NC1=O ZINC000058309626 556779557 /nfs/dbraw/zinc/77/95/57/556779557.db2.gz AXDKKDWRXPRJMI-MUUNZHRXSA-N 0 0 440.543 4.809 50 0 IJAARN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000058342137 556781866 /nfs/dbraw/zinc/78/18/66/556781866.db2.gz JHPUDCACTHHLML-FOYQMUPJSA-N 0 0 442.519 4.630 50 0 IJAARN Cc1c(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000058357567 556782889 /nfs/dbraw/zinc/78/28/89/556782889.db2.gz NHIVDLAITYOXFJ-UHFFFAOYSA-N 0 0 429.590 4.951 50 0 IJAARN Cn1c2ccccc2c(Br)c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000058416718 556787046 /nfs/dbraw/zinc/78/70/46/556787046.db2.gz FAJSTTZFJZFZAS-MRXNPFEDSA-N 0 0 429.314 4.751 50 0 IJAARN Cn1c2ccccc2c(Br)c1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000058416716 556787050 /nfs/dbraw/zinc/78/70/50/556787050.db2.gz FAJSTTZFJZFZAS-INIZCTEOSA-N 0 0 429.314 4.751 50 0 IJAARN O=C(Nc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)ccc1F)c1ccsc1 ZINC000058426111 556787939 /nfs/dbraw/zinc/78/79/39/556787939.db2.gz XANQZXHSLRHESZ-UHFFFAOYSA-N 0 0 425.363 4.511 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)nc(=O)c2c1C ZINC000058434229 556788208 /nfs/dbraw/zinc/78/82/08/556788208.db2.gz SVDPRXPJSIPVGF-BZPMIXESSA-N 0 0 430.549 4.527 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cn3nc(C)nc3-c3ccc4ccccc4c3)CC2)c(F)c1 ZINC000058438206 556788397 /nfs/dbraw/zinc/78/83/97/556788397.db2.gz IAZAZUSPWMMWOK-UHFFFAOYSA-N 0 0 443.526 4.528 50 0 IJAARN COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000058844224 556792263 /nfs/dbraw/zinc/79/22/63/556792263.db2.gz CQVJDJOPQAYKAB-UHFFFAOYSA-N 0 0 436.556 4.568 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)sc2nc(C)cc(C)c12 ZINC000059338442 556798307 /nfs/dbraw/zinc/79/83/07/556798307.db2.gz AEWBUMRHZYGSHO-UHFFFAOYSA-N 0 0 443.594 4.648 50 0 IJAARN Cc1c(C)c2cc(Cl)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc2oc1=O ZINC000002094295 556798887 /nfs/dbraw/zinc/79/88/87/556798887.db2.gz RMZANWVXPGXYFN-INIZCTEOSA-N 0 0 437.920 4.908 50 0 biogenic IJAARN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000059404352 556799687 /nfs/dbraw/zinc/79/96/87/556799687.db2.gz QQHRAYIQJYGMOS-OAHLLOKOSA-N 0 0 434.437 4.773 50 0 IJAARN Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)s1 ZINC000072401255 556800164 /nfs/dbraw/zinc/80/01/64/556800164.db2.gz HIBFGEFWHAMWGJ-HXUWFJFHSA-N 0 0 432.549 4.538 50 0 IJAARN O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000059799906 556804630 /nfs/dbraw/zinc/80/46/30/556804630.db2.gz KARCVWNJJSGBFM-UHFFFAOYSA-N 0 0 430.401 4.956 50 0 IJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)/C=C/c1ccco1 ZINC000003236255 556806506 /nfs/dbraw/zinc/80/65/06/556806506.db2.gz NQTGNGLEHOLUMT-VQHVLOKHSA-N 0 0 439.489 4.798 50 0 IJAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cccc(F)c3F)cc2)c1C(F)(F)F ZINC000060139562 556806863 /nfs/dbraw/zinc/80/68/63/556806863.db2.gz DULMRPBSBMSDJK-UHFFFAOYSA-N 0 0 439.340 4.598 50 0 IJAARN CCOC(=O)c1sc2nc(C)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C ZINC000003289215 556808869 /nfs/dbraw/zinc/80/88/69/556808869.db2.gz ITCRHEOEVQDYBG-GFCCVEGCSA-N 0 0 441.578 4.555 50 0 IJAARN O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000003310049 556809386 /nfs/dbraw/zinc/80/93/86/556809386.db2.gz NVPGONNUXOECCY-UHFFFAOYSA-N 0 0 446.601 4.825 50 0 IJAARN COc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)ccc1OCc1ccccc1 ZINC000003322477 556810233 /nfs/dbraw/zinc/81/02/33/556810233.db2.gz ZBMZFJIKVIYCDN-UHFFFAOYSA-N 0 0 443.858 4.862 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)cc1 ZINC000003368705 556811978 /nfs/dbraw/zinc/81/19/78/556811978.db2.gz ALYZTLPHXCMXSZ-GFCCVEGCSA-N 0 0 447.409 4.799 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)c(C)n1Cc1ccco1 ZINC000003352623 556813873 /nfs/dbraw/zinc/81/38/73/556813873.db2.gz CBYTVNUJFUSJNC-JXMROGBWSA-N 0 0 429.419 4.787 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2ccccc2F)sc2c1CC[C@@H](C)C2 ZINC000003393707 556814073 /nfs/dbraw/zinc/81/40/73/556814073.db2.gz KBGJNWWIRMBKQY-CABCVRRESA-N 0 0 432.561 4.648 50 0 IJAARN COc1ccc(C2(CNC(=O)CCn3ccc4ccc(Cl)cc43)CCOCC2)cc1 ZINC000072402497 556815981 /nfs/dbraw/zinc/81/59/81/556815981.db2.gz DYWFULYKJVYSNS-UHFFFAOYSA-N 0 0 426.944 4.558 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)C(C)C ZINC000003563468 556817755 /nfs/dbraw/zinc/81/77/55/556817755.db2.gz UMFRVQCHGOWPHU-UHFFFAOYSA-N 0 0 447.963 4.916 50 0 IJAARN CCc1cccc(C)c1NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033061445 556818293 /nfs/dbraw/zinc/81/82/93/556818293.db2.gz MKLFGOFUHDGLOD-UHFFFAOYSA-N 0 0 428.945 4.886 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2cccc(C)c2[nH]1 ZINC000033064329 556819078 /nfs/dbraw/zinc/81/90/78/556819078.db2.gz QRKWATRGCSBGKP-UHFFFAOYSA-N 0 0 434.565 4.936 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c1 ZINC000033068026 556820127 /nfs/dbraw/zinc/82/01/27/556820127.db2.gz RCTNDEFCLGKMDI-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4cccc(C)c4C)c3)cc(=O)n2c1 ZINC000033068163 556820906 /nfs/dbraw/zinc/82/09/06/556820906.db2.gz KSCJKRDTIFYDPG-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1CCCc1ccccc1 ZINC000064662207 556826138 /nfs/dbraw/zinc/82/61/38/556826138.db2.gz PNJCGPSUXLNZLW-SANMLTNESA-N 0 0 449.620 4.999 50 0 IJAARN CCC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000005326081 556827029 /nfs/dbraw/zinc/82/70/29/556827029.db2.gz PHKAKYMZLGLZIR-KRWDZBQOSA-N 0 0 426.561 4.724 50 0 IJAARN CC(C)CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002124 556830743 /nfs/dbraw/zinc/83/07/43/556830743.db2.gz FGHBFWULKQKCRP-UHFFFAOYSA-N 0 0 436.987 4.991 50 0 IJAARN CSc1cccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c1 ZINC000065364657 556835580 /nfs/dbraw/zinc/83/55/80/556835580.db2.gz AHBGRCHSQOWOHQ-UHFFFAOYSA-N 0 0 448.596 4.913 50 0 IJAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000019637471 556836003 /nfs/dbraw/zinc/83/60/03/556836003.db2.gz ACANTOUQJZYKNB-UHFFFAOYSA-N 0 0 442.950 4.908 50 0 IJAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cs1)c1ccccc1 ZINC000096635152 556839742 /nfs/dbraw/zinc/83/97/42/556839742.db2.gz YCCYDZZKMQISBO-FYJGNVAPSA-N 0 0 447.516 4.959 50 0 IJAARN COc1cccc(-c2nc(COC(=O)c3ccc(-n4nc(C)cc4C)cc3)cs2)c1OC ZINC000008711777 556842881 /nfs/dbraw/zinc/84/28/81/556842881.db2.gz NTVIJYYUXDUFAM-UHFFFAOYSA-N 0 0 449.532 4.987 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ncc(Cl)cc1Cl ZINC000008735291 556844889 /nfs/dbraw/zinc/84/48/89/556844889.db2.gz PNQAASXRZQHKDJ-UHFFFAOYSA-N 0 0 445.715 4.735 50 0 IJAARN O=C(c1ccc2oc(Cc3ccccc3)nc2c1)N1CCC(OCc2cccnc2)CC1 ZINC000067674186 556846011 /nfs/dbraw/zinc/84/60/11/556846011.db2.gz JUPUWRKENFSPNC-UHFFFAOYSA-N 0 0 427.504 4.635 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)NCC1CC1 ZINC000022183075 556849302 /nfs/dbraw/zinc/84/93/02/556849302.db2.gz UWLBIVDJZOPXIS-UHFFFAOYSA-N 0 0 433.364 4.859 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)s1 ZINC000068713272 556849502 /nfs/dbraw/zinc/84/95/02/556849502.db2.gz MYIWBJKOQDRXIL-QHCPKHFHSA-N 0 0 441.936 4.596 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000068741388 556849810 /nfs/dbraw/zinc/84/98/10/556849810.db2.gz GDAVFPQAMOXZMJ-UHFFFAOYSA-N 0 0 436.867 4.980 50 0 IJAARN O=C(CSc1nc(CC(=O)NCC2CCCCC2)cs1)Nc1ccc(Cl)cc1 ZINC000008852623 556850195 /nfs/dbraw/zinc/85/01/95/556850195.db2.gz WIAWQMKHOPPETB-UHFFFAOYSA-N 0 0 438.018 4.766 50 0 IJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(I)cc1 ZINC000008935246 556852670 /nfs/dbraw/zinc/85/26/70/556852670.db2.gz ZOVPIKHRRWNCTP-AUWJEWJLSA-N 0 0 444.055 4.943 50 0 IJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)C2)s1 ZINC000033078258 556853184 /nfs/dbraw/zinc/85/31/84/556853184.db2.gz MGZSLOMVIZMPLL-ZDUSSCGKSA-N 0 0 430.961 4.771 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2sc3ncnc(N4CCCC4)c3c2C)c1 ZINC000033078840 556853954 /nfs/dbraw/zinc/85/39/54/556853954.db2.gz MHCVCWBTHQRXMW-UHFFFAOYSA-N 0 0 426.542 4.650 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000033088306 556856186 /nfs/dbraw/zinc/85/61/86/556856186.db2.gz IQMAWNVYIGOEFS-UHFFFAOYSA-N 0 0 444.457 4.902 50 0 IJAARN CCOc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000033089215 556857852 /nfs/dbraw/zinc/85/78/52/556857852.db2.gz ZZKGDJMWXXJHFG-GFCCVEGCSA-N 0 0 427.298 4.532 50 0 IJAARN CN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033088697 556858079 /nfs/dbraw/zinc/85/80/79/556858079.db2.gz SHLDYTSOWKLHGD-UHFFFAOYSA-N 0 0 432.423 4.763 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4C)C3)s2)cc1 ZINC000033113307 556859977 /nfs/dbraw/zinc/85/99/77/556859977.db2.gz SHESUPADLJOYSR-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)s1 ZINC000033113458 556860120 /nfs/dbraw/zinc/86/01/20/556860120.db2.gz SAPJVWDQDOTDQH-AWEZNQCLSA-N 0 0 447.992 4.666 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(F)c4)s3)C2)cc1 ZINC000033113392 556860238 /nfs/dbraw/zinc/86/02/38/556860238.db2.gz KCHFXUZDGKJJPV-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4cccc(C)c4)CC3)s2)cc1 ZINC000033114050 556860930 /nfs/dbraw/zinc/86/09/30/556860930.db2.gz MVNYJVAJLIFSCM-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000033122149 556863022 /nfs/dbraw/zinc/86/30/22/556863022.db2.gz WVDNOPJOYUCRPQ-UHFFFAOYSA-N 0 0 446.536 4.993 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)OC)c(OC)c3c2)cc1OCC ZINC000033123535 556864234 /nfs/dbraw/zinc/86/42/34/556864234.db2.gz UMUFVTOQKBXGIL-UHFFFAOYSA-N 0 0 429.494 4.746 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127953 556864790 /nfs/dbraw/zinc/86/47/90/556864790.db2.gz KUTLQCFMRHDWJZ-NRFANRHFSA-N 0 0 449.938 4.671 50 0 IJAARN Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1Cl ZINC000033127944 556864866 /nfs/dbraw/zinc/86/48/66/556864866.db2.gz YIQCYEGFCKMBRB-JOCHJYFZSA-N 0 0 433.939 4.971 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 ZINC000033128326 556865511 /nfs/dbraw/zinc/86/55/11/556865511.db2.gz ZQVCRUJQWCXDIV-OAHLLOKOSA-N 0 0 443.956 4.631 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ncc(-c4ccc(F)cc4)cn3)cc2)c1 ZINC000033126405 556866967 /nfs/dbraw/zinc/86/69/67/556866967.db2.gz PJTVYYMHJKQAEY-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN C[C@H](NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1)c1ccccc1 ZINC000004672637 556867681 /nfs/dbraw/zinc/86/76/81/556867681.db2.gz BDEOCNNGCMRCHZ-SFHVURJKSA-N 0 0 427.589 4.712 50 0 IJAARN O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)NCCC1=CCCCC1 ZINC000004672598 556867775 /nfs/dbraw/zinc/86/77/75/556867775.db2.gz SVWAORFBNLUEOB-UHFFFAOYSA-N 0 0 431.621 4.842 50 0 IJAARN Cc1ccccc1CNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130038 556868054 /nfs/dbraw/zinc/86/80/54/556868054.db2.gz BSJJWQJXFVXWHQ-UHFFFAOYSA-N 0 0 448.588 4.767 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)c(OC)c1 ZINC000033130458 556870361 /nfs/dbraw/zinc/87/03/61/556870361.db2.gz DGSYNQTZCBDUPA-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN O=C(c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000033139889 556874869 /nfs/dbraw/zinc/87/48/69/556874869.db2.gz DJRSZACLGNJJAH-UHFFFAOYSA-N 0 0 427.913 4.546 50 0 IJAARN Cc1cccc([C@H]2CCCN2c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 ZINC000071970480 556876459 /nfs/dbraw/zinc/87/64/59/556876459.db2.gz SSYDKSYSPSLQPE-MRXNPFEDSA-N 0 0 434.849 4.950 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142064 556877457 /nfs/dbraw/zinc/87/74/57/556877457.db2.gz FBBOOOWLKWXPFF-LJQANCHMSA-N 0 0 446.551 4.680 50 0 IJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1ccc(Br)cc1 ZINC000033172710 556883094 /nfs/dbraw/zinc/88/30/94/556883094.db2.gz ZMLJPUIHBAESCE-UHFFFAOYSA-N 0 0 431.290 4.744 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(F)cc3Cl)c2cc1OC ZINC000033172795 556883108 /nfs/dbraw/zinc/88/31/08/556883108.db2.gz SOURNWYUMSFWEB-UHFFFAOYSA-N 0 0 446.891 4.652 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170762 556886397 /nfs/dbraw/zinc/88/63/97/556886397.db2.gz ACNXEQKPWRNBTG-UHFFFAOYSA-N 0 0 440.906 4.982 50 0 IJAARN O=C(NCCCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)OCc1ccccc1 ZINC000071769514 556887741 /nfs/dbraw/zinc/88/77/41/556887741.db2.gz BMIRFSPDQLNCDH-UHFFFAOYSA-N 0 0 443.588 4.897 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1C ZINC000033249413 556889161 /nfs/dbraw/zinc/88/91/61/556889161.db2.gz COTDHWSZONNPOF-UHFFFAOYSA-N 0 0 440.540 4.758 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccccc4)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000033249559 556889570 /nfs/dbraw/zinc/88/95/70/556889570.db2.gz ZCRCCFQDYWQSRO-NDEPHWFRSA-N 0 0 441.575 4.937 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccccc1 ZINC000033249557 556889575 /nfs/dbraw/zinc/88/95/75/556889575.db2.gz KWPYJVAKZGMBOS-MHZLTWQESA-N 0 0 427.548 4.629 50 0 IJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCc1cccs1 ZINC000033255195 556894792 /nfs/dbraw/zinc/89/47/92/556894792.db2.gz LFHSHZLGOZEHJX-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260989 556897852 /nfs/dbraw/zinc/89/78/52/556897852.db2.gz VSCMTEICYSVNJH-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN Cc1ccc(-c2cc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)ncn2)cc1 ZINC000033261032 556898466 /nfs/dbraw/zinc/89/84/66/556898466.db2.gz FRVIMBRWNPDXJQ-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261222 556898733 /nfs/dbraw/zinc/89/87/33/556898733.db2.gz BGSYKWKNMVSHDZ-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN Clc1cccc(Cl)c1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 ZINC000019799186 556917074 /nfs/dbraw/zinc/91/70/74/556917074.db2.gz KRQLDZUZHDOEEW-UHFFFAOYSA-N 0 0 435.380 4.699 50 0 IJAARN COC(=O)C[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000019808442 556918350 /nfs/dbraw/zinc/91/83/50/556918350.db2.gz ZWHOCWBKIZUKFK-DQXHVOOISA-N 0 0 436.527 4.820 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(C)c1 ZINC000019809858 556918545 /nfs/dbraw/zinc/91/85/45/556918545.db2.gz DBYOIMUYMOXGDM-UHFFFAOYSA-N 0 0 433.537 4.637 50 0 IJAARN COc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCc2c[nH]c3ccccc23)C1=O ZINC000019820053 556923399 /nfs/dbraw/zinc/92/33/99/556923399.db2.gz PXIVABUFGPGKPW-OQKWZONESA-N 0 0 437.499 4.537 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)cc1 ZINC000019824433 556925716 /nfs/dbraw/zinc/92/57/16/556925716.db2.gz RZPMEOSGSIAMHS-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN COc1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1OC ZINC000019827371 556925859 /nfs/dbraw/zinc/92/58/59/556925859.db2.gz ZLBOKGMPCWZVRK-UHFFFAOYSA-N 0 0 438.900 4.581 50 0 IJAARN Nc1nc(SCC(=O)c2ccccc2)nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019830873 556926298 /nfs/dbraw/zinc/92/62/98/556926298.db2.gz BJQBEAKKCSBHER-UHFFFAOYSA-N 0 0 446.601 4.807 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(c4ncc5ccccc5n4)CC3)c(C)o2)c(C)c1C ZINC000019837794 556928451 /nfs/dbraw/zinc/92/84/51/556928451.db2.gz RWTKIOXCSYYULE-UHFFFAOYSA-N 0 0 443.551 4.541 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3cc(Br)ccc3n2)cc1C ZINC000019841272 556929881 /nfs/dbraw/zinc/92/98/81/556929881.db2.gz CMXNIYJVEBOAEJ-UHFFFAOYSA-N 0 0 438.369 4.669 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 ZINC000019859652 556932144 /nfs/dbraw/zinc/93/21/44/556932144.db2.gz DRYLBMQCXNERAS-SFHVURJKSA-N 0 0 434.989 4.644 50 0 IJAARN COc1cc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc(OC)c1 ZINC000033263822 556933267 /nfs/dbraw/zinc/93/32/67/556933267.db2.gz SZYPDEWQBGUTCG-UHFFFAOYSA-N 0 0 445.523 4.636 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c1 ZINC000033265074 556975069 /nfs/dbraw/zinc/97/50/69/556975069.db2.gz YKIKOXITSPSCTP-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN COc1cc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc(OC)c1OC ZINC000020101641 556980437 /nfs/dbraw/zinc/98/04/37/556980437.db2.gz LPKVVFTVCWOXPE-MRXNPFEDSA-N 0 0 433.508 4.776 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103578 556981295 /nfs/dbraw/zinc/98/12/95/556981295.db2.gz ANCPGPCJYJERCD-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267699 556982132 /nfs/dbraw/zinc/98/21/32/556982132.db2.gz ICJUQWRFVVNMIG-FQEVSTJZSA-N 0 0 428.492 4.693 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)cc1 ZINC000033267982 556982342 /nfs/dbraw/zinc/98/23/42/556982342.db2.gz SYIKXZPWPQZGAN-UHFFFAOYSA-N 0 0 429.499 4.699 50 0 IJAARN CCOC(=O)[C@H]1CCN(C(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 ZINC000097103623 556987319 /nfs/dbraw/zinc/98/73/19/556987319.db2.gz FDPXVYCHUFJHOH-IBGZPJMESA-N 0 0 443.590 4.628 50 0 IJAARN O=C(c1cc(-c2cccc(O)c2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137584 556988790 /nfs/dbraw/zinc/98/87/90/556988790.db2.gz MVOAMHJMSMWMRC-UHFFFAOYSA-N 0 0 439.515 4.595 50 0 IJAARN COc1ccccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc2c(s1)c(Cl)ccc2C ZINC000023108245 557003401 /nfs/dbraw/zinc/00/34/01/557003401.db2.gz VBUYJTHEXDINQE-HNNXBMFYSA-N 0 0 446.956 4.858 50 0 IJAARN CN(C)c1nc(Cl)c(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000020325932 557008032 /nfs/dbraw/zinc/00/80/32/557008032.db2.gz ZMPFNCYETVLFLX-ZDUSSCGKSA-N 0 0 431.911 4.976 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(C3CCCC3)C2=O)c1 ZINC000020353674 557009622 /nfs/dbraw/zinc/00/96/22/557009622.db2.gz JCPGZNKRUNWOFT-HXUWFJFHSA-N 0 0 425.916 4.757 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCc2ccc(OC)cc2)c1C ZINC000020356126 557010317 /nfs/dbraw/zinc/01/03/17/557010317.db2.gz MTXYOOSCIIGPLX-UHFFFAOYSA-N 0 0 434.536 4.664 50 0 IJAARN Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 ZINC000020357244 557011275 /nfs/dbraw/zinc/01/12/75/557011275.db2.gz NEFQXHMYYRCTJM-UHFFFAOYSA-N 0 0 437.590 4.864 50 0 IJAARN COc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1OC ZINC000023127905 557012133 /nfs/dbraw/zinc/01/21/33/557012133.db2.gz HPHVGZPDKPDKDL-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 biogenic IJAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000098003357 557012441 /nfs/dbraw/zinc/01/24/41/557012441.db2.gz SRVLKBALNHINLH-RPIOBPNHSA-N 0 0 446.503 4.898 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5Cl)n4ccn3n2)cc1 ZINC000045971267 557014275 /nfs/dbraw/zinc/01/42/75/557014275.db2.gz VJFUINQKCOXHGR-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 ZINC000045971421 557014350 /nfs/dbraw/zinc/01/43/50/557014350.db2.gz DFNFVZMZIRVTDW-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 ZINC000046012103 557018556 /nfs/dbraw/zinc/01/85/56/557018556.db2.gz JANBOWZTDOEGNO-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045344 557025835 /nfs/dbraw/zinc/02/58/35/557025835.db2.gz XVJQEQDIYCCKBQ-XMMPIXPASA-N 0 0 444.575 4.725 50 0 IJAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)n2o1 ZINC000046048028 557026061 /nfs/dbraw/zinc/02/60/61/557026061.db2.gz PLHHKEVVFCZOGL-UHFFFAOYSA-N 0 0 447.535 4.638 50 0 IJAARN CCn1c(SCC(=O)Nc2ccnn2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000032944890 557028046 /nfs/dbraw/zinc/02/80/46/557028046.db2.gz SCEIPJATXWQDMX-UHFFFAOYSA-N 0 0 426.590 4.771 50 0 IJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2c1 ZINC000046058405 557029478 /nfs/dbraw/zinc/02/94/78/557029478.db2.gz PFJWSWAIEDCQBU-UHFFFAOYSA-N 0 0 438.958 4.602 50 0 IJAARN Cc1nc2sc([C@@H](c3cccc(F)c3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157367 557030504 /nfs/dbraw/zinc/03/05/04/557030504.db2.gz CQUGXLRUFZDQCO-OAQYLSRUSA-N 0 0 436.556 4.988 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccccc2NC3=O)c1 ZINC000046077522 557033301 /nfs/dbraw/zinc/03/33/01/557033301.db2.gz ZTUGRAQZGMFZPH-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc(Br)o1 ZINC000017178191 557037801 /nfs/dbraw/zinc/03/78/01/557037801.db2.gz RQPQEZFRQXHCMX-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181231 557045014 /nfs/dbraw/zinc/04/50/14/557045014.db2.gz MWWGIONUPWDDSS-NTKDMRAZSA-N 0 0 437.584 4.565 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181251 557045461 /nfs/dbraw/zinc/04/54/61/557045461.db2.gz LBBOTFUYMWJUOG-CYFREDJKSA-N 0 0 437.584 4.565 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)CCC)CCC3)cc1 ZINC000017270906 557048899 /nfs/dbraw/zinc/04/88/99/557048899.db2.gz MJRYSOJCZWYFPG-UHFFFAOYSA-N 0 0 430.570 4.610 50 0 IJAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1OC ZINC000033271473 557049234 /nfs/dbraw/zinc/04/92/34/557049234.db2.gz VEKXHFKMGGHCAH-OAHLLOKOSA-N 0 0 434.521 4.590 50 0 IJAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)ccc1O ZINC000033271497 557049471 /nfs/dbraw/zinc/04/94/71/557049471.db2.gz QWFDUZSHQGROFA-OAHLLOKOSA-N 0 0 434.521 4.677 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(OC)c3)sc2c1 ZINC000033271689 557049754 /nfs/dbraw/zinc/04/97/54/557049754.db2.gz NHVUJJLKCTVFLZ-KRWDZBQOSA-N 0 0 434.521 4.672 50 0 IJAARN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)s1 ZINC000033273073 557050964 /nfs/dbraw/zinc/05/09/64/557050964.db2.gz MKUGQFDDNJMEGR-UHFFFAOYSA-N 0 0 441.944 4.855 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 ZINC000017306583 557052310 /nfs/dbraw/zinc/05/23/10/557052310.db2.gz SHPZFYKYGMABGW-UHFFFAOYSA-N 0 0 435.505 4.809 50 0 IJAARN O=C1Nc2c(cccc2C(F)(F)F)[C@]12Nc1ccccc1C(=O)N2c1ccc(Cl)cn1 ZINC000048286853 557052898 /nfs/dbraw/zinc/05/28/98/557052898.db2.gz BUVLRRDLUVFANU-HXUWFJFHSA-N 0 0 444.800 4.631 50 0 IJAARN CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@@H]1C ZINC000048286796 557052908 /nfs/dbraw/zinc/05/29/08/557052908.db2.gz NAWMQCOLNLIPHN-YJBOKZPZSA-N 0 0 431.989 4.916 50 0 IJAARN Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NC5CCCC5)CC4)n3n2)c1 ZINC000033275115 557053527 /nfs/dbraw/zinc/05/35/27/557053527.db2.gz NNCVQRNMBYUHBC-UHFFFAOYSA-N 0 0 431.584 4.597 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316850 557057250 /nfs/dbraw/zinc/05/72/50/557057250.db2.gz BNTUNBHAUBZVSV-HXUWFJFHSA-N 0 0 435.553 4.635 50 0 IJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCCNC(=O)NC3CCCCC3)cc2)n1 ZINC000023012737 557057339 /nfs/dbraw/zinc/05/73/39/557057339.db2.gz SJUNEKDITRQHRY-UHFFFAOYSA-N 0 0 441.601 4.595 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023011201 557057487 /nfs/dbraw/zinc/05/74/87/557057487.db2.gz JOBPTHFHVBTGAN-QFIPXVFZSA-N 0 0 448.498 4.863 50 0 IJAARN CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccc(F)c(F)c1 ZINC000048286627 557058416 /nfs/dbraw/zinc/05/84/16/557058416.db2.gz JLZMOMMFKMKXJF-UHFFFAOYSA-N 0 0 430.524 4.856 50 0 IJAARN CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C1CCCCC1 ZINC000023055170 557060509 /nfs/dbraw/zinc/06/05/09/557060509.db2.gz ZADQEKDCQKLVCP-UHFFFAOYSA-N 0 0 434.989 4.960 50 0 IJAARN O=C(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccccc2F)CC1 ZINC000033279033 557061110 /nfs/dbraw/zinc/06/11/10/557061110.db2.gz HMYXQJDHSWLQED-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)[C@H](OCC(F)(F)F)c2ccccc2)cc1OCC ZINC000048302035 557063023 /nfs/dbraw/zinc/06/30/23/557063023.db2.gz SWBQVBUWASXKHG-FOIQADDNSA-N 0 0 425.447 4.981 50 0 IJAARN CSc1nnc(CSc2nc3ccccc3c(=O)n2CCCc2ccccc2)s1 ZINC000048302822 557064326 /nfs/dbraw/zinc/06/43/26/557064326.db2.gz WLKMQJQZUDXQFD-UHFFFAOYSA-N 0 0 440.619 4.895 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(N(C)c3ccccc3)nc2=O)cc1 ZINC000033287399 557064713 /nfs/dbraw/zinc/06/47/13/557064713.db2.gz GGXKAYJARFEELM-UHFFFAOYSA-N 0 0 426.520 4.927 50 0 IJAARN O=C(Nc1ccc(F)cc1Br)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364538 557064924 /nfs/dbraw/zinc/06/49/24/557064924.db2.gz SDRCNHCHTBFLSK-OAHLLOKOSA-N 0 0 427.273 4.747 50 0 IJAARN O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1cccc(Br)c1 ZINC000023126447 557065450 /nfs/dbraw/zinc/06/54/50/557065450.db2.gz MWILJIDILBMYPW-UHFFFAOYSA-N 0 0 440.322 4.526 50 0 IJAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000033288354 557065513 /nfs/dbraw/zinc/06/55/13/557065513.db2.gz SFZKIQUXKFFOPS-UHFFFAOYSA-N 0 0 438.915 4.786 50 0 IJAARN COc1ccc([C@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)cc1 ZINC000033289003 557066456 /nfs/dbraw/zinc/06/64/56/557066456.db2.gz ADWBJVHUHDNMFH-INIZCTEOSA-N 0 0 425.579 4.914 50 0 IJAARN COc1cc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2Cc2ccccc2)ccc1OC(F)F ZINC000048339795 557070092 /nfs/dbraw/zinc/07/00/92/557070092.db2.gz VZDGIQIFTZVYEM-FCHUYYIVSA-N 0 0 425.431 4.828 50 0 IJAARN COc1cc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2Cc2ccccc2)ccc1OC(F)F ZINC000048339787 557070203 /nfs/dbraw/zinc/07/02/03/557070203.db2.gz VZDGIQIFTZVYEM-YADHBBJMSA-N 0 0 425.431 4.828 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)cc1C ZINC000033297536 557073285 /nfs/dbraw/zinc/07/32/85/557073285.db2.gz SHIYPXMPMKDCDM-UHFFFAOYSA-N 0 0 437.561 4.604 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000033297906 557073863 /nfs/dbraw/zinc/07/38/63/557073863.db2.gz BOJFBPUUDIVHHU-RAXLEYEMSA-N 0 0 439.537 4.920 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCCC2=CCCCC2)cc1 ZINC000048991139 557080523 /nfs/dbraw/zinc/08/05/23/557080523.db2.gz UYABNRAEBBOXSZ-UHFFFAOYSA-N 0 0 448.610 4.592 50 0 IJAARN CSc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1 ZINC000048988164 557083008 /nfs/dbraw/zinc/08/30/08/557083008.db2.gz VKFJUYSCZURQBP-UHFFFAOYSA-N 0 0 432.549 4.807 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000049006032 557084789 /nfs/dbraw/zinc/08/47/89/557084789.db2.gz XKNPIQKOPACGIB-UHFFFAOYSA-N 0 0 428.536 4.704 50 0 IJAARN CC(=O)Nc1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)c1 ZINC000033307268 557086900 /nfs/dbraw/zinc/08/69/00/557086900.db2.gz UTVAUCPRXLIYRV-UHFFFAOYSA-N 0 0 428.448 4.526 50 0 IJAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)c1C ZINC000033308221 557088143 /nfs/dbraw/zinc/08/81/43/557088143.db2.gz BTSMTMSZKVRSNK-UHFFFAOYSA-N 0 0 442.475 4.835 50 0 IJAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000049026292 557088266 /nfs/dbraw/zinc/08/82/66/557088266.db2.gz XZNFVJPYJZPIGZ-UHFFFAOYSA-N 0 0 449.501 4.545 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000049403244 557098866 /nfs/dbraw/zinc/09/88/66/557098866.db2.gz TWFTUQUSRCHGJB-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1ccc(C)cc1 ZINC000033318118 557099656 /nfs/dbraw/zinc/09/96/56/557099656.db2.gz PXBQSFSIOXJMOQ-UHFFFAOYSA-N 0 0 443.503 4.724 50 0 IJAARN CCCn1nc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)c2ccccc2c1=O ZINC000017604869 557102781 /nfs/dbraw/zinc/10/27/81/557102781.db2.gz NFJGJZFHHPCZBO-UHFFFAOYSA-N 0 0 443.503 4.743 50 0 IJAARN COc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2C)c1 ZINC000086069980 557108429 /nfs/dbraw/zinc/10/84/29/557108429.db2.gz BMIAYDXKACMADE-UHFFFAOYSA-N 0 0 443.551 4.895 50 0 IJAARN O=C(CC1CCCCC1)Nc1ccc(Cn2cnc(C(=O)NCc3ccccc3)c2)cc1 ZINC000049421839 557108995 /nfs/dbraw/zinc/10/89/95/557108995.db2.gz ILVMKDMCIVCNOI-UHFFFAOYSA-N 0 0 430.552 4.770 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(C)c4)cc3)cn2)cc1 ZINC000049422181 557109229 /nfs/dbraw/zinc/10/92/29/557109229.db2.gz PMXYHYDPDPKDKB-UHFFFAOYSA-N 0 0 440.503 4.753 50 0 IJAARN Cc1cccc(OCc2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)c1 ZINC000033327460 557110050 /nfs/dbraw/zinc/11/00/50/557110050.db2.gz DSIPNWKMYCAWDG-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000409415261 557110350 /nfs/dbraw/zinc/11/03/50/557110350.db2.gz YMURFUXGJMCOFM-FQEVSTJZSA-N 0 0 435.549 4.640 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c(OC)c1OC ZINC000049545351 557111520 /nfs/dbraw/zinc/11/15/20/557111520.db2.gz CGFDWTGCWGLFAT-MRXNPFEDSA-N 0 0 427.888 4.734 50 0 IJAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000049546593 557111666 /nfs/dbraw/zinc/11/16/66/557111666.db2.gz IKIKETWGWKJRDK-VWLOTQADSA-N 0 0 446.591 4.849 50 0 IJAARN Cc1cc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000585152224 557112449 /nfs/dbraw/zinc/11/24/49/557112449.db2.gz CATOXUOEVIMAEK-NRFANRHFSA-N 0 0 439.602 4.861 50 0 IJAARN COc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(C)cc4)no3)s2)cc1OC ZINC000033331352 557115285 /nfs/dbraw/zinc/11/52/85/557115285.db2.gz XXPPTFNJZKDZTR-UHFFFAOYSA-N 0 0 436.493 4.746 50 0 IJAARN C[C@H](CN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000033331693 557115694 /nfs/dbraw/zinc/11/56/94/557115694.db2.gz JYUSUGIGTOOWRQ-NSYGIPOTSA-N 0 0 435.593 4.780 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1Cl ZINC000113628411 557118340 /nfs/dbraw/zinc/11/83/40/557118340.db2.gz JISOCWNFJJVBNH-KDURUIRLSA-N 0 0 440.952 4.835 50 0 IJAARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2OC(F)F)n2c3ccccc3nc2N1 ZINC000004786998 557119703 /nfs/dbraw/zinc/11/97/03/557119703.db2.gz VAJJXPFZDNRUGH-NRFANRHFSA-N 0 0 438.478 4.939 50 0 IJAARN CCOC(=O)c1c2cc(O[C@H](C)C(=O)OC)c(Br)cc2oc1-c1ccccc1 ZINC000000623805 557121544 /nfs/dbraw/zinc/12/15/44/557121544.db2.gz ZHTISFPMDYKZOX-GFCCVEGCSA-N 0 0 447.281 4.979 50 0 IJAARN CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000000626967 557121907 /nfs/dbraw/zinc/12/19/07/557121907.db2.gz NPWRDRJOUYXUES-UHFFFAOYSA-N 0 0 431.355 4.790 50 0 IJAARN O=C(CSc1cccc2cccc(Cl)c21)NCc1ccccc1CN1CCOCC1 ZINC000023882565 557123400 /nfs/dbraw/zinc/12/34/00/557123400.db2.gz NCCNWPHQWXBDGH-UHFFFAOYSA-N 0 0 440.996 4.734 50 0 IJAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 ZINC000000645012 557124157 /nfs/dbraw/zinc/12/41/57/557124157.db2.gz ZQPPWFTVOVNXJU-UHFFFAOYSA-N 0 0 444.818 4.519 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000023907658 557124369 /nfs/dbraw/zinc/12/43/69/557124369.db2.gz LRDKBPDDIXAPMO-RUZDIDTESA-N 0 0 432.589 4.669 50 0 IJAARN CSCC[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2s1 ZINC000023935484 557126247 /nfs/dbraw/zinc/12/62/47/557126247.db2.gz LBAPTWGXEMHSBE-CRAIPNDOSA-N 0 0 443.619 4.710 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)NC3CCCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800043 557127413 /nfs/dbraw/zinc/12/74/13/557127413.db2.gz KDTIPVKVZIOSLX-NOZRDPDXSA-N 0 0 436.552 4.637 50 0 IJAARN Cc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)o1 ZINC000023955706 557127658 /nfs/dbraw/zinc/12/76/58/557127658.db2.gz IWLXGMNJERNEGH-GOEBONIOSA-N 0 0 426.586 4.723 50 0 IJAARN CN(c1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000000667346 557131857 /nfs/dbraw/zinc/13/18/57/557131857.db2.gz NMCJSVRSNXBMMJ-UHFFFAOYSA-N 0 0 430.913 4.780 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000024041371 557133285 /nfs/dbraw/zinc/13/32/85/557133285.db2.gz MMGSMJIXNAVRAB-QFIPXVFZSA-N 0 0 432.520 4.984 50 0 IJAARN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1nccs1 ZINC000002860989 557133769 /nfs/dbraw/zinc/13/37/69/557133769.db2.gz QXPMBZGGVKRKCH-UHFFFAOYSA-N 0 0 445.353 4.575 50 0 IJAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000024749822 557134077 /nfs/dbraw/zinc/13/40/77/557134077.db2.gz AGENZHMWXDPTLP-GOSISDBHSA-N 0 0 438.478 4.524 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000011419698 557142930 /nfs/dbraw/zinc/14/29/30/557142930.db2.gz JANBYXBFPWQALF-OAQYLSRUSA-N 0 0 436.383 4.767 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000024330511 557144231 /nfs/dbraw/zinc/14/42/31/557144231.db2.gz UNWVYBRRYWDJAV-QGZVFWFLSA-N 0 0 431.565 4.770 50 0 IJAARN CC(C)OC(=O)c1nccnc1C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000713290 557144899 /nfs/dbraw/zinc/14/48/99/557144899.db2.gz HRSPMFPPADTDTI-UHFFFAOYSA-N 0 0 425.872 4.527 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000024472350 557148100 /nfs/dbraw/zinc/14/81/00/557148100.db2.gz UGEAKGZCCPVVFT-UHFFFAOYSA-N 0 0 449.551 4.513 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC000024806892 557148359 /nfs/dbraw/zinc/14/83/59/557148359.db2.gz MBYVMIIXIMAJMK-UHFFFAOYSA-N 0 0 425.529 4.514 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)Cl)cc3)nc2c1 ZINC000000718533 557148929 /nfs/dbraw/zinc/14/89/29/557148929.db2.gz FQAGITIKASSYGN-UHFFFAOYSA-N 0 0 427.860 4.860 50 0 IJAARN CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 ZINC000000719079 557149226 /nfs/dbraw/zinc/14/92/26/557149226.db2.gz MLVDVYIKIPKMIS-VIFPVBQESA-N 0 0 441.788 4.935 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CS[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000024520812 557149640 /nfs/dbraw/zinc/14/96/40/557149640.db2.gz GQOMPBCLFAFKJD-INIZCTEOSA-N 0 0 440.565 4.674 50 0 IJAARN CCCCn1c(S[C@@H](C)C(=O)Nc2cccc(OC)c2)nnc1-c1ccc(OC)cc1 ZINC000011488803 557153035 /nfs/dbraw/zinc/15/30/35/557153035.db2.gz HQFOTXVLNFKKQN-INIZCTEOSA-N 0 0 440.569 4.882 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000024607127 557153421 /nfs/dbraw/zinc/15/34/21/557153421.db2.gz RLEOYURQQYBQGH-UHFFFAOYSA-N 0 0 449.016 4.863 50 0 IJAARN Cc1ccc(-c2csc(N3NC4=C(COc5ccccc54)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957636 557159233 /nfs/dbraw/zinc/15/92/33/557159233.db2.gz IZUYGJHIILAGJL-MGPUTAFESA-N 0 0 431.439 4.602 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1F ZINC000024749736 557161932 /nfs/dbraw/zinc/16/19/32/557161932.db2.gz WMKLZORAJOQSGI-UHFFFAOYSA-N 0 0 432.904 4.770 50 0 IJAARN COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OCc1ccccn1 ZINC000024750009 557162412 /nfs/dbraw/zinc/16/24/12/557162412.db2.gz PFDJYLJFJYXIHT-VWLOTQADSA-N 0 0 448.519 4.568 50 0 IJAARN COc1ccc(N2C(=S)N[C@H](c3cccc(C)c3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000024834279 557166394 /nfs/dbraw/zinc/16/63/94/557166394.db2.gz MKUOHIYVKUOKKJ-JOCHJYFZSA-N 0 0 440.565 4.674 50 0 IJAARN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F)c1ccccc1 ZINC000000751840 557168288 /nfs/dbraw/zinc/16/82/88/557168288.db2.gz BWEOYLVIUUWACN-KRWDZBQOSA-N 0 0 428.467 4.755 50 0 IJAARN CCn1c2nc(SCC(=O)c3ccccc3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000000756709 557170307 /nfs/dbraw/zinc/17/03/07/557170307.db2.gz YWXXYEBJCHDGBP-UHFFFAOYSA-N 0 0 439.587 4.973 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1C ZINC000024841162 557173220 /nfs/dbraw/zinc/17/32/20/557173220.db2.gz NOAMQBIOMMYGBG-UHFFFAOYSA-N 0 0 428.941 4.939 50 0 IJAARN COCc1c2ccccc2oc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000024853857 557174178 /nfs/dbraw/zinc/17/41/78/557174178.db2.gz LVZCMQMLNQDDQX-OAHLLOKOSA-N 0 0 425.506 4.654 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 ZINC000069927524 557178595 /nfs/dbraw/zinc/17/85/95/557178595.db2.gz WDHNVJQWBTVFFK-QHCPKHFHSA-N 0 0 434.536 4.524 50 0 IJAARN COc1ccc([C@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011553618 557183574 /nfs/dbraw/zinc/18/35/74/557183574.db2.gz KLWASFAWVRQXAB-JOCHJYFZSA-N 0 0 448.548 4.649 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000024974633 557184715 /nfs/dbraw/zinc/18/47/15/557184715.db2.gz KKXPEMKFKWYIIZ-QGZVFWFLSA-N 0 0 448.013 4.637 50 0 IJAARN CNC(=O)c1ccc(/C=C\C(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000098004792 557189523 /nfs/dbraw/zinc/18/95/23/557189523.db2.gz ZSFTVJAXDWGZDA-OUXDILKSSA-N 0 0 436.458 4.567 50 0 IJAARN CNC(=O)c1ccc(CN(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000025045577 557190321 /nfs/dbraw/zinc/19/03/21/557190321.db2.gz RCUHQHTYBHMRQL-UHFFFAOYSA-N 0 0 446.334 4.599 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000025057384 557192453 /nfs/dbraw/zinc/19/24/53/557192453.db2.gz NEFVJENMJQTFIQ-GOTSBHOMSA-N 0 0 434.923 4.977 50 0 IJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000025061450 557193235 /nfs/dbraw/zinc/19/32/35/557193235.db2.gz LOZAMKCQIGNVFH-HZSPNIEDSA-N 0 0 426.007 4.525 50 0 IJAARN OCCCc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 ZINC000100869040 557193505 /nfs/dbraw/zinc/19/35/05/557193505.db2.gz KLAYNYOIQCPFBP-SFHVURJKSA-N 0 0 445.748 4.675 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ncn2)c1 ZINC000096281926 557193992 /nfs/dbraw/zinc/19/39/92/557193992.db2.gz YIORKLQQKYXCIF-UHFFFAOYSA-N 0 0 443.334 4.847 50 0 IJAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nncn2Cc2ccco2)cs1 ZINC000025078776 557194558 /nfs/dbraw/zinc/19/45/58/557194558.db2.gz RCODGOKAOZZKJB-UHFFFAOYSA-N 0 0 439.566 4.915 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000025090138 557195200 /nfs/dbraw/zinc/19/52/00/557195200.db2.gz QGFOPGACRLSAEE-UHFFFAOYSA-N 0 0 438.369 4.985 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nnc2-c2ccncc2)cc1C ZINC000025120766 557195845 /nfs/dbraw/zinc/19/58/45/557195845.db2.gz OXFOETZBJDMFAR-UHFFFAOYSA-N 0 0 429.549 4.701 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317077 557198805 /nfs/dbraw/zinc/19/88/05/557198805.db2.gz LOTSJLXLUKDEAC-SFHVURJKSA-N 0 0 426.580 4.723 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(F)cc3)C(=S)N[C@H]2c2ccccc2C)no1 ZINC000011561332 557199879 /nfs/dbraw/zinc/19/98/79/557199879.db2.gz SSLJIXQYAGCQHF-NRFANRHFSA-N 0 0 436.512 4.779 50 0 IJAARN Cc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)c1C ZINC000096487808 557201276 /nfs/dbraw/zinc/20/12/76/557201276.db2.gz LOFUKGSOPUUGQC-UHFFFAOYSA-N 0 0 434.547 4.888 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1OCCC ZINC000025320451 557203450 /nfs/dbraw/zinc/20/34/50/557203450.db2.gz RVTIBSHGJGIPTF-AZUAARDMSA-N 0 0 442.556 4.587 50 0 IJAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)OCC)[C@@H]1c1cc(Br)ccc1F ZINC000096663639 557204021 /nfs/dbraw/zinc/20/40/21/557204021.db2.gz MFSFILKFVAHWJR-MOPGFXCFSA-N 0 0 434.305 4.842 50 0 IJAARN CC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 ZINC000025327843 557204240 /nfs/dbraw/zinc/20/42/40/557204240.db2.gz HEJLZIMJAJJEAZ-UHFFFAOYSA-N 0 0 427.913 4.542 50 0 IJAARN O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101045038 557216588 /nfs/dbraw/zinc/21/65/88/557216588.db2.gz AAFNWWDSESGDRD-HIFRSBDPSA-N 0 0 430.074 4.593 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)Cc1nc(-c2cccs2)oc1C ZINC000025596986 557218450 /nfs/dbraw/zinc/21/84/50/557218450.db2.gz SXGKCFXERNSHTC-UHFFFAOYSA-N 0 0 435.343 4.684 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccc3c(c1)OCO3)CC2 ZINC000025713319 557223032 /nfs/dbraw/zinc/22/30/32/557223032.db2.gz XFXKLIGKHAVBTJ-GLNMAXCKSA-N 0 0 443.499 4.620 50 0 IJAARN COC(=O)[C@H](Cc1ccccc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756915 557223783 /nfs/dbraw/zinc/22/37/83/557223783.db2.gz ZBPOEQFTNAQAHT-QHCPKHFHSA-N 0 0 435.907 4.963 50 0 IJAARN COc1ccc2nc(C)c(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cc2c1 ZINC000025768991 557225083 /nfs/dbraw/zinc/22/50/83/557225083.db2.gz VZAAWLJPSMSUTG-GOSISDBHSA-N 0 0 433.533 4.987 50 0 IJAARN COc1ccc2c(c1)C1=C([C@@H](c3ccc(C)cc3)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000025783854 557226500 /nfs/dbraw/zinc/22/65/00/557226500.db2.gz ZYXIFFHDPZZVEO-LOSJGSFVSA-N 0 0 440.478 4.947 50 0 IJAARN Cc1nnc(SC[C@H](O)Cn2c3ccccc3c3ccccc32)n1Cc1ccccc1 ZINC000025830734 557228084 /nfs/dbraw/zinc/22/80/84/557228084.db2.gz XRGMHDROWPHYAV-HXUWFJFHSA-N 0 0 428.561 4.896 50 0 IJAARN C[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)c1nc(C2CCCCC2)no1 ZINC000072303758 557229756 /nfs/dbraw/zinc/22/97/56/557229756.db2.gz LEXXLSGTJSWYNG-ZDUSSCGKSA-N 0 0 444.333 4.557 50 0 IJAARN COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 ZINC000011613290 557230703 /nfs/dbraw/zinc/23/07/03/557230703.db2.gz SUEVAAUENKUXGE-UHFFFAOYSA-N 0 0 437.500 4.977 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000025990042 557231869 /nfs/dbraw/zinc/23/18/69/557231869.db2.gz ZWNHMSFUTYRUAP-INIZCTEOSA-N 0 0 428.554 4.790 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1coc(-c2cccc(F)c2)n1 ZINC000026019025 557232310 /nfs/dbraw/zinc/23/23/10/557232310.db2.gz DKCYQLFILRCCGS-UHFFFAOYSA-N 0 0 439.512 4.910 50 0 IJAARN Cc1cc(=O)n2c(-c3cccc(NS(=O)(=O)c4ccc5ccccc5c4)c3)csc2n1 ZINC000011696333 557233096 /nfs/dbraw/zinc/23/30/96/557233096.db2.gz BACRHGVDRUFXPX-UHFFFAOYSA-N 0 0 447.541 4.685 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089794 557233981 /nfs/dbraw/zinc/23/39/81/557233981.db2.gz BVALSUZYYOCXNL-UHFFFAOYSA-N 0 0 437.546 4.577 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000026091333 557234242 /nfs/dbraw/zinc/23/42/42/557234242.db2.gz MBJVBPCVULPUAZ-UHFFFAOYSA-N 0 0 433.558 4.667 50 0 IJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1Cl ZINC000098211495 557235120 /nfs/dbraw/zinc/23/51/20/557235120.db2.gz SNOQLPVCANOCNS-UHFFFAOYSA-N 0 0 436.855 4.534 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1OCC ZINC000098212224 557235425 /nfs/dbraw/zinc/23/54/25/557235425.db2.gz HQZCCYFPIPHIAL-IBGZPJMESA-N 0 0 437.496 4.520 50 0 IJAARN Cc1c(C(=O)N2CCN(C)c3nc4ccccc4nc32)sc2nc(C(C)(C)C)nc(C)c12 ZINC000026128992 557235761 /nfs/dbraw/zinc/23/57/61/557235761.db2.gz CRLSZFDROOYXHW-UHFFFAOYSA-N 0 0 446.580 4.645 50 0 IJAARN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000026132421 557236037 /nfs/dbraw/zinc/23/60/37/557236037.db2.gz GQECYFKHUOEITQ-HXUWFJFHSA-N 0 0 443.544 4.886 50 0 IJAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000018111831 557237579 /nfs/dbraw/zinc/23/75/79/557237579.db2.gz RMOIYWQBKZNFJZ-UHFFFAOYSA-N 0 0 448.411 4.592 50 0 IJAARN CC[C@H](NC(=O)N1c2cc(C)c(C)cc2C(C)=CC1(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100118909 557241431 /nfs/dbraw/zinc/24/14/31/557241431.db2.gz DMFZBFSDPYBGJX-CNNODRBYSA-N 0 0 437.584 4.926 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc(OCc2ccc(F)cc2)c1 ZINC000026787842 557248897 /nfs/dbraw/zinc/24/88/97/557248897.db2.gz NAUOTDSQVAZBLQ-QGZVFWFLSA-N 0 0 433.483 4.581 50 0 IJAARN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc(Br)cc1 ZINC000100229479 557249490 /nfs/dbraw/zinc/24/94/90/557249490.db2.gz LWWVUSKTWATPSI-CMDGGOBGSA-N 0 0 440.223 4.535 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)no1 ZINC000014776158 557249640 /nfs/dbraw/zinc/24/96/40/557249640.db2.gz GWGQABDKTAHSCI-UHFFFAOYSA-N 0 0 442.447 4.919 50 0 IJAARN CC(C)(C)C(=O)Nc1cc(Cl)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(Cl)c1 ZINC000026884909 557250176 /nfs/dbraw/zinc/25/01/76/557250176.db2.gz VKGFBLWZKSZOQQ-UHFFFAOYSA-N 0 0 443.352 4.634 50 0 IJAARN O=C(NCC1(Cc2nnc3ccccn32)CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000604418669 557250655 /nfs/dbraw/zinc/25/06/55/557250655.db2.gz CIMIYSOHINUKLQ-UHFFFAOYSA-N 0 0 447.461 4.943 50 0 IJAARN Cc1cccc(C)c1N(C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2s1 ZINC000101099066 557255165 /nfs/dbraw/zinc/25/51/65/557255165.db2.gz HQIVADZLMNZRML-HDICACEKSA-N 0 0 445.544 4.529 50 0 IJAARN Cc1cccc2c(=O)n(CCC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cnc12 ZINC000027106207 557256934 /nfs/dbraw/zinc/25/69/34/557256934.db2.gz YODFNJCXGCGFQX-UHFFFAOYSA-N 0 0 435.911 4.667 50 0 IJAARN CC(=O)N1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@@H]1c1ccc(C)cc1 ZINC000027118170 557257211 /nfs/dbraw/zinc/25/72/11/557257211.db2.gz XXUVPSTZJDJBAG-PZJWPPBQSA-N 0 0 437.392 4.623 50 0 IJAARN C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027292330 557259701 /nfs/dbraw/zinc/25/97/01/557259701.db2.gz IYNQYJMJRRLVRL-CQSZACIVSA-N 0 0 439.462 4.778 50 0 IJAARN COc1ccc(CCNC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)cc1OC ZINC000032953341 557260182 /nfs/dbraw/zinc/26/01/82/557260182.db2.gz GOGPRZPUBBFSGT-UHFFFAOYSA-N 0 0 427.504 4.595 50 0 biogenic IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Nc3cccc(Br)c3)cc12 ZINC000032953865 557260771 /nfs/dbraw/zinc/26/07/71/557260771.db2.gz FXSMYYCJMNFXHC-UHFFFAOYSA-N 0 0 441.329 4.786 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)N1CCc2ccccc2C1 ZINC000027546850 557264860 /nfs/dbraw/zinc/26/48/60/557264860.db2.gz PDZUFXUUXRZEAF-HHHXNRCGSA-N 0 0 435.527 4.606 50 0 IJAARN CCCCC(=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664083 557269902 /nfs/dbraw/zinc/26/99/02/557269902.db2.gz QBDHHXCULQHDSO-KRWDZBQOSA-N 0 0 443.487 4.671 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664031 557269938 /nfs/dbraw/zinc/26/99/38/557269938.db2.gz MONZWAYMSBHZEG-IBGZPJMESA-N 0 0 443.952 4.738 50 0 IJAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000027664500 557270599 /nfs/dbraw/zinc/27/05/99/557270599.db2.gz KZYNNBHWSGEORV-OAQYLSRUSA-N 0 0 428.444 4.772 50 0 IJAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)Cc1ccco1 ZINC000027795131 557274986 /nfs/dbraw/zinc/27/49/86/557274986.db2.gz NLJQEISGJXDQOC-UHFFFAOYSA-N 0 0 428.238 4.584 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354194 557275311 /nfs/dbraw/zinc/27/53/11/557275311.db2.gz DNHGYXRLAJRCGN-FQEVSTJZSA-N 0 0 425.532 4.682 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000100744375 557275346 /nfs/dbraw/zinc/27/53/46/557275346.db2.gz HFHOXXCKQXYOKK-KBRIMQKVSA-N 0 0 442.309 4.594 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101391551 557283153 /nfs/dbraw/zinc/28/31/53/557283153.db2.gz LUHUVJPKEOSKHP-RNODOKPDSA-N 0 0 447.988 4.783 50 0 IJAARN CCc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000101128501 557283371 /nfs/dbraw/zinc/28/33/71/557283371.db2.gz BHJVZWFKFWCOLG-KRWDZBQOSA-N 0 0 437.348 4.560 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)c1 ZINC000101192011 557284667 /nfs/dbraw/zinc/28/46/67/557284667.db2.gz QWMOGBCJEZXUKA-OYYNGEPBSA-N 0 0 448.420 4.988 50 0 IJAARN CC(C)N1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2CCc2ccccc2)C1=O ZINC000101582814 557291144 /nfs/dbraw/zinc/29/11/44/557291144.db2.gz NTDXISNENANOOD-HSZRJFAPSA-N 0 0 437.543 4.721 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000101361606 557291801 /nfs/dbraw/zinc/29/18/01/557291801.db2.gz JSAZXLHCIXZYIC-SZPZYZBQSA-N 0 0 445.563 4.917 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@H]2C1 ZINC000101888910 557296307 /nfs/dbraw/zinc/29/63/07/557296307.db2.gz HFHOXXCKQXYOKK-COXVUDFISA-N 0 0 442.309 4.594 50 0 IJAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C)c1ccc(F)cc1 ZINC000014085589 557300273 /nfs/dbraw/zinc/30/02/73/557300273.db2.gz JDWPGABTTLBFTM-KBPBESRZSA-N 0 0 448.951 4.545 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000014085585 557300302 /nfs/dbraw/zinc/30/03/02/557300302.db2.gz JDWPGABTTLBFTM-UONOGXRCSA-N 0 0 448.951 4.545 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)COc4ccccc4)nn32)cc1 ZINC000101835504 557302009 /nfs/dbraw/zinc/30/20/09/557302009.db2.gz NKBRFQOEJWYDMF-HSZRJFAPSA-N 0 0 437.503 4.660 50 0 IJAARN COc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)c1 ZINC000101835582 557302163 /nfs/dbraw/zinc/30/21/63/557302163.db2.gz VHHUGKCIXSVLGJ-HSZRJFAPSA-N 0 0 437.503 4.903 50 0 IJAARN O=C(CN1c2ncccc2N=C(c2ccc(F)cc2)CC1=O)Nc1ccc(F)c(Cl)c1 ZINC000101881242 557305095 /nfs/dbraw/zinc/30/50/95/557305095.db2.gz UHCYHWAEDUMMOE-UHFFFAOYSA-N 0 0 440.837 4.509 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)cc1C ZINC000101880959 557305134 /nfs/dbraw/zinc/30/51/34/557305134.db2.gz SDRMBUQPQYPGBR-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCOc1ccc(-c2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)n2N)cc1 ZINC000014123445 557306260 /nfs/dbraw/zinc/30/62/60/557306260.db2.gz FZYXGWFYCASTGJ-UHFFFAOYSA-N 0 0 427.917 4.658 50 0 IJAARN O=C(c1ccc(Cl)nc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023327214 557312718 /nfs/dbraw/zinc/31/27/18/557312718.db2.gz PKTZBJUUFXYVFL-QFIPXVFZSA-N 0 0 426.347 4.936 50 0 IJAARN O=C(/C=C/c1cc2ccccc2[nH]c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032752866 557315000 /nfs/dbraw/zinc/31/50/00/557315000.db2.gz RBRVSKBDPXQBLC-NJPXVUIWSA-N 0 0 432.523 4.955 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)Nc2ccccc2OC)c1 ZINC000033068692 557323383 /nfs/dbraw/zinc/32/33/83/557323383.db2.gz JQYZILYCIIDHRO-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN Cc1cccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)c1 ZINC000033128483 557325006 /nfs/dbraw/zinc/32/50/06/557325006.db2.gz HVLQNTAVNSGVGY-UHFFFAOYSA-N 0 0 441.531 4.729 50 0 IJAARN CC1CCN(C(=O)c2cccc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)c2)CC1 ZINC000033130057 557325252 /nfs/dbraw/zinc/32/52/52/557325252.db2.gz YDKXUTUXDCANIV-UHFFFAOYSA-N 0 0 448.588 4.704 50 0 IJAARN Cc1cccc(Oc2cc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ncn2)c1C ZINC000033312038 557332566 /nfs/dbraw/zinc/33/25/66/557332566.db2.gz LHGXSIDMRNRNGZ-UHFFFAOYSA-N 0 0 444.579 4.851 50 0 IJAARN O=C(c1ccc(Cl)nc1)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000023329457 557339327 /nfs/dbraw/zinc/33/93/27/557339327.db2.gz PRHORICCNDIBCC-UHFFFAOYSA-N 0 0 436.821 4.824 50 0 IJAARN O=C(c1cccnc1Cl)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023329760 557339754 /nfs/dbraw/zinc/33/97/54/557339754.db2.gz KICQUWVNZFOCHU-OAQYLSRUSA-N 0 0 426.347 4.936 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)NCCc1ccc(Cl)cc1 ZINC000102529345 557340420 /nfs/dbraw/zinc/34/04/20/557340420.db2.gz NOUOSOXDHVNIER-UHFFFAOYSA-N 0 0 431.923 4.556 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000023427528 557353922 /nfs/dbraw/zinc/35/39/22/557353922.db2.gz VDDMAIHVUSRCRT-UHFFFAOYSA-N 0 0 435.524 4.501 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023429951 557355218 /nfs/dbraw/zinc/35/52/18/557355218.db2.gz YILMYCJYOFQSDY-QHCPKHFHSA-N 0 0 444.959 4.575 50 0 IJAARN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)c1 ZINC000023441775 557358007 /nfs/dbraw/zinc/35/80/07/557358007.db2.gz ONXRPCMHESLCHC-UHFFFAOYSA-N 0 0 427.504 4.733 50 0 biogenic IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n(-c2ccccn2)n1 ZINC000023460560 557360720 /nfs/dbraw/zinc/36/07/20/557360720.db2.gz GENQVLHJNAFLTB-UHFFFAOYSA-N 0 0 426.476 4.672 50 0 IJAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014682727 557368508 /nfs/dbraw/zinc/36/85/08/557368508.db2.gz LOWPPLLXBABFSU-UHFFFAOYSA-N 0 0 426.501 4.702 50 0 IJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000102723825 557369204 /nfs/dbraw/zinc/36/92/04/557369204.db2.gz UZHWSKWLWRXIMO-YPAWHYETSA-N 0 0 436.870 4.839 50 0 IJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)NC1CCCC1 ZINC000025393000 557370394 /nfs/dbraw/zinc/37/03/94/557370394.db2.gz NPDWOUKCHJBEMO-CCEZHUSRSA-N 0 0 425.488 4.718 50 0 IJAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)no1 ZINC000023649359 557370521 /nfs/dbraw/zinc/37/05/21/557370521.db2.gz FNIUGBRTHZJALU-AWEZNQCLSA-N 0 0 447.944 4.615 50 0 IJAARN O=C(c1cc(Br)cs1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220926990 557371113 /nfs/dbraw/zinc/37/11/13/557371113.db2.gz WUOSNSFBSLCMRA-LLVKDONJSA-N 0 0 438.372 4.717 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000102749216 557379063 /nfs/dbraw/zinc/37/90/63/557379063.db2.gz GXKIREHZUOTFOE-TZRRMPRUSA-N 0 0 446.478 4.666 50 0 IJAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000102764604 557381277 /nfs/dbraw/zinc/38/12/77/557381277.db2.gz OPQARVUTIOVVNJ-UBFVSLLYSA-N 0 0 442.515 4.753 50 0 IJAARN O=C1[C@@H]2[C@H]3C[C@H]([C@@H]4ON=C(c5ccc(Cl)cc5)[C@H]34)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013693799 557386824 /nfs/dbraw/zinc/38/68/24/557386824.db2.gz XJTZTFVJBLOQKJ-UYRWNNBYSA-N 0 0 442.902 4.668 50 0 IJAARN COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccc(OC)c1 ZINC000011692098 557387345 /nfs/dbraw/zinc/38/73/45/557387345.db2.gz LHRNZTWDDAVYEE-UHFFFAOYSA-N 0 0 432.524 4.946 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1 ZINC000011694442 557392385 /nfs/dbraw/zinc/39/23/85/557392385.db2.gz ZWDZGGUQXFYWJU-UHFFFAOYSA-N 0 0 444.466 4.801 50 0 IJAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000102859075 557399393 /nfs/dbraw/zinc/39/93/93/557399393.db2.gz SBHNEABQYDOKRC-HDICACEKSA-N 0 0 426.900 4.636 50 0 IJAARN CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)NCC ZINC000004874933 557399926 /nfs/dbraw/zinc/39/99/26/557399926.db2.gz JYOOHTDJWIZFCB-UHFFFAOYSA-N 0 0 427.593 4.557 50 0 IJAARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)c(OC)c1OC ZINC000102894184 557405956 /nfs/dbraw/zinc/40/59/56/557405956.db2.gz DUVXBGRAFMOTKL-IBGZPJMESA-N 0 0 447.491 4.818 50 0 IJAARN CC(=O)O[C@H]1C=C2C(C)=C[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118917321 557405970 /nfs/dbraw/zinc/40/59/70/557405970.db2.gz SDHHPVPFUVQWKY-FIGSPHRHSA-N 0 0 428.569 4.938 50 0 IJAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000103024882 557416687 /nfs/dbraw/zinc/41/66/87/557416687.db2.gz YZEOIRMAFMECAO-HDICACEKSA-N 0 0 426.900 4.636 50 0 IJAARN COc1cc(CNC(=O)c2cc(-c3ccccc3)on2)ccc1OCc1ccccc1F ZINC000072427729 557427331 /nfs/dbraw/zinc/42/73/31/557427331.db2.gz QYSIZIBSJCVVGR-UHFFFAOYSA-N 0 0 432.451 4.998 50 0 IJAARN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000024548330 557442231 /nfs/dbraw/zinc/44/22/31/557442231.db2.gz NCVSGSNTWXHDNP-MRXNPFEDSA-N 0 0 438.471 4.718 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000014794092 557455609 /nfs/dbraw/zinc/45/56/09/557455609.db2.gz LXDNSFGKXOUITJ-UHFFFAOYSA-N 0 0 441.487 4.786 50 0 IJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000014802330 557457037 /nfs/dbraw/zinc/45/70/37/557457037.db2.gz VEPXOZDLBCKAGO-UHFFFAOYSA-N 0 0 449.461 4.735 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000014802667 557457051 /nfs/dbraw/zinc/45/70/51/557457051.db2.gz IFPCTANEVIFAFL-UHFFFAOYSA-N 0 0 448.832 4.924 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1C ZINC000018359196 557497726 /nfs/dbraw/zinc/49/77/26/557497726.db2.gz CWVBULUKUUCRQZ-OAHLLOKOSA-N 0 0 429.542 4.638 50 0 IJAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cn2cc(Cl)cn2)cc1 ZINC000036617009 557517524 /nfs/dbraw/zinc/51/75/24/557517524.db2.gz UCVVNBDHSRWGNT-UHFFFAOYSA-N 0 0 434.931 4.869 50 0 IJAARN CCOc1cc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000012063450 557525828 /nfs/dbraw/zinc/52/58/28/557525828.db2.gz UFBOQZJECCYPHF-DEOSSOPVSA-N 0 0 445.475 4.533 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000027146144 557530521 /nfs/dbraw/zinc/53/05/21/557530521.db2.gz UAOQGHWYTOODRG-MURVUTHMSA-N 0 0 448.588 4.530 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000044838800 557538768 /nfs/dbraw/zinc/53/87/68/557538768.db2.gz PAFVQASSUNNWTK-UHFFFAOYSA-N 0 0 426.520 4.591 50 0 IJAARN C[C@@H]1C(=O)Nc2cc(C(=O)N[C@H](CC(F)(F)F)c3ccc(Cl)cc3)ccc2N1C ZINC000108460785 557542992 /nfs/dbraw/zinc/54/29/92/557542992.db2.gz CWYQBCAAWVCLKE-BDJLRTHQSA-N 0 0 425.838 4.540 50 0 IJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C ZINC000109012223 557545324 /nfs/dbraw/zinc/54/53/24/557545324.db2.gz LNMFVVSPTMXWJC-GRDNDAEWSA-N 0 0 430.010 4.851 50 0 IJAARN Cn1c2cc(NC(=O)c3cccs3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000045940861 557549356 /nfs/dbraw/zinc/54/93/56/557549356.db2.gz PBTHKHMYAWXZLM-UHFFFAOYSA-N 0 0 429.954 4.995 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccccc3F)nnc2n1Cc1cccs1 ZINC000045924491 557549482 /nfs/dbraw/zinc/54/94/82/557549482.db2.gz CYWFMRPYTFWJTP-UHFFFAOYSA-N 0 0 428.539 4.647 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5cc(C)ccc5C)nn4ccn23)cc1 ZINC000045971596 557555563 /nfs/dbraw/zinc/55/55/63/557555563.db2.gz ZEVPOMZEPAXAJO-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000045967402 557557177 /nfs/dbraw/zinc/55/71/77/557557177.db2.gz SEBWTJVSEHHPRK-UHFFFAOYSA-N 0 0 432.568 4.615 50 0 IJAARN CNC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000040047222 557677627 /nfs/dbraw/zinc/67/76/27/557677627.db2.gz KQVASBZQKXSMMV-UHFFFAOYSA-N 0 0 426.476 4.914 50 0 IJAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N1CCCc2cc(F)c(F)cc21 ZINC000040133328 557698905 /nfs/dbraw/zinc/69/89/05/557698905.db2.gz UGVYDKDGGIHGGS-UHFFFAOYSA-N 0 0 427.472 4.532 50 0 IJAARN Cc1nnc(Sc2ccc(NC(=O)[C@H]3CC(c4cc(F)ccc4F)=NO3)c(C)c2)s1 ZINC000225383803 557717013 /nfs/dbraw/zinc/71/70/13/557717013.db2.gz QZOREAQLIPCXAF-GOSISDBHSA-N 0 0 446.504 4.716 50 0 IJAARN Cc1nn(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1-c1ccccc1 ZINC000225506791 557731683 /nfs/dbraw/zinc/73/16/83/557731683.db2.gz PUADPKHFUSALGJ-UHFFFAOYSA-N 0 0 442.494 4.566 50 0 IJAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC000225541871 557739282 /nfs/dbraw/zinc/73/92/82/557739282.db2.gz YNUQUMPTFKYNOK-UHFFFAOYSA-N 0 0 437.005 4.681 50 0 IJAARN CC(C)(C)OC(=O)NCc1cc(NC(=O)[C@@H]2CSCCS2)cc(C(F)(F)F)c1 ZINC000225629238 557754105 /nfs/dbraw/zinc/75/41/05/557754105.db2.gz MCTYGLBXCBYIAK-AWEZNQCLSA-N 0 0 436.521 4.517 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000225662732 557758762 /nfs/dbraw/zinc/75/87/62/557758762.db2.gz SLBVCYPULMBWBQ-UHFFFAOYSA-N 0 0 446.269 4.607 50 0 IJAARN CCc1ccc(NC(=O)C(=O)Nc2cc(-c3cc(Br)ccc3Cl)[nH]n2)cc1 ZINC000225686235 557763563 /nfs/dbraw/zinc/76/35/63/557763563.db2.gz HDCIXSMMMBIORW-UHFFFAOYSA-N 0 0 447.720 4.632 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000000848576 557829505 /nfs/dbraw/zinc/82/95/05/557829505.db2.gz RQHSIPKOQQBJDP-UHFFFAOYSA-N 0 0 449.795 4.533 50 0 IJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1 ZINC000228511882 557830436 /nfs/dbraw/zinc/83/04/36/557830436.db2.gz OEGLMAGEXLFNKK-AOIWGVFYSA-N 0 0 429.586 4.769 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000230026347 557834996 /nfs/dbraw/zinc/83/49/96/557834996.db2.gz PSCGFZKDBAPWLN-ZEVUWQFRSA-N 0 0 445.563 4.529 50 0 IJAARN COC(=O)c1ccc(CN2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)cc1 ZINC000014992179 557837515 /nfs/dbraw/zinc/83/75/15/557837515.db2.gz TWCMBOJJWUPNDK-UHFFFAOYSA-N 0 0 433.504 4.552 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@@H]1CCOC(C)(C)C1)C2 ZINC000014993242 557838499 /nfs/dbraw/zinc/83/84/99/557838499.db2.gz PGPOYSKOQIMXRJ-AEFFLSMTSA-N 0 0 436.577 4.897 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3N2)cc1 ZINC000000866104 557839531 /nfs/dbraw/zinc/83/95/31/557839531.db2.gz XKZBOHYKZZVXLD-HNAYVOBHSA-N 0 0 446.429 4.818 50 0 IJAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866910 562919447 /nfs/dbraw/zinc/91/94/47/562919447.db2.gz QWEBPXLVJBQLNB-PWSUYJOCSA-N 0 0 430.839 4.781 50 0 IJAARN COc1ccc(N=C(C(=C(Cl)C(Cl)Cl)[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000001883455 562925235 /nfs/dbraw/zinc/92/52/35/562925235.db2.gz RJQYIQVBRAQWTE-BMRADRMJSA-N 0 0 440.674 4.840 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(C)n1C ZINC000002660724 562929643 /nfs/dbraw/zinc/92/96/43/562929643.db2.gz IJIJOMIPACAFLX-SFHVURJKSA-N 0 0 444.988 4.708 50 0 IJAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724816 562930077 /nfs/dbraw/zinc/93/00/77/562930077.db2.gz KXPDXVISWMLAJO-DEOSSOPVSA-N 0 0 436.458 4.936 50 0 IJAARN Cc1ccccc1CN1c2cc(C(=O)N3CCOCC3)ccc2Sc2ccccc2C1=O ZINC000002964937 562931304 /nfs/dbraw/zinc/93/13/04/562931304.db2.gz QDJPSMJJGXOMJP-UHFFFAOYSA-N 0 0 444.556 4.779 50 0 IJAARN Cc1nc2nc(SCC(=O)Nc3ccccc3Cl)nn2c(C)c1Cc1ccccc1 ZINC000003040307 562932129 /nfs/dbraw/zinc/93/21/29/562932129.db2.gz GSSLUHJMZABKGB-UHFFFAOYSA-N 0 0 437.956 4.716 50 0 IJAARN CCc1cccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3F)=NCC2=O)c1 ZINC000003059903 562932390 /nfs/dbraw/zinc/93/23/90/562932390.db2.gz UDLOGAOXJRSDKA-UHFFFAOYSA-N 0 0 449.913 4.864 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(SCC(=O)c3ccc(OC)cc3)s2)cc1 ZINC000003230040 562933121 /nfs/dbraw/zinc/93/31/21/562933121.db2.gz OCSBSDAWLQEHNF-UHFFFAOYSA-N 0 0 446.575 4.505 50 0 IJAARN COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1OC ZINC000003423550 562935642 /nfs/dbraw/zinc/93/56/42/562935642.db2.gz MFZNSAMBYDHGMQ-UHFFFAOYSA-N 0 0 446.507 4.957 50 0 IJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)noc1-2 ZINC000004076520 562941462 /nfs/dbraw/zinc/94/14/62/562941462.db2.gz RPMGRWSWGYXZOA-UHFFFAOYSA-N 0 0 448.910 4.908 50 0 aggregator IJAARN COc1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000004312883 562943088 /nfs/dbraw/zinc/94/30/88/562943088.db2.gz OLGXYPQVXGQYNC-WVXBCFDCSA-N 0 0 433.485 4.714 50 0 IJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)o2)cc1 ZINC000006895768 562948541 /nfs/dbraw/zinc/94/85/41/562948541.db2.gz KYAAEDONPATQPY-PMERELPUSA-N 0 0 425.550 4.754 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589226 562951067 /nfs/dbraw/zinc/95/10/67/562951067.db2.gz DEBCXZZCVABMIA-SSEXGKCCSA-N 0 0 445.968 4.753 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000008589260 562951135 /nfs/dbraw/zinc/95/11/35/562951135.db2.gz SSGLMKWDTUBSJB-GDLZYMKVSA-N 0 0 431.941 4.711 50 0 IJAARN COc1cc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc(OC)c1 ZINC000008592616 562952391 /nfs/dbraw/zinc/95/23/91/562952391.db2.gz FXJGSNNVFDHFEX-DEOSSOPVSA-N 0 0 430.504 4.738 50 0 IJAARN COc1cccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2cccc(F)c2)c1 ZINC000008595153 562953205 /nfs/dbraw/zinc/95/32/05/562953205.db2.gz FWXWYGGILQUIQG-UHFFFAOYSA-N 0 0 426.451 4.695 50 0 IJAARN COC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000008598666 562954379 /nfs/dbraw/zinc/95/43/79/562954379.db2.gz OQJPLXAHPKDJID-UHFFFAOYSA-N 0 0 442.519 4.679 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4c(n3)sc3c4CCCC3)cc2)cc1 ZINC000008603865 562956174 /nfs/dbraw/zinc/95/61/74/562956174.db2.gz SAIQCRRBMBVTGZ-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN COc1ccc(CCNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)cc1OC ZINC000008604247 562956289 /nfs/dbraw/zinc/95/62/89/562956289.db2.gz LJJQKZKQNIRRQM-UHFFFAOYSA-N 0 0 438.524 4.885 50 0 IJAARN CN(C)c1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008606397 562956986 /nfs/dbraw/zinc/95/69/86/562956986.db2.gz CPTGFMZIJXIOAH-UHFFFAOYSA-N 0 0 435.528 4.567 50 0 IJAARN CCOc1cccc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008606617 562957062 /nfs/dbraw/zinc/95/70/62/562957062.db2.gz UUAQZTPYRRDRNU-DEOSSOPVSA-N 0 0 429.476 4.828 50 0 aggregator IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cncs2)c(Br)c1 ZINC000008606676 562957141 /nfs/dbraw/zinc/95/71/41/562957141.db2.gz VWAPSPUMXPFEOL-UHFFFAOYSA-N 0 0 427.327 4.869 50 0 IJAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C(=O)c1ccccc1S2 ZINC000008609477 562957849 /nfs/dbraw/zinc/95/78/49/562957849.db2.gz AUUPVHRYALKECY-UHFFFAOYSA-N 0 0 446.528 4.840 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000008610479 562958167 /nfs/dbraw/zinc/95/81/67/562958167.db2.gz FQOFWWFBQCDGBE-UHFFFAOYSA-N 0 0 447.988 4.664 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1OC ZINC000008610819 562958325 /nfs/dbraw/zinc/95/83/25/562958325.db2.gz WKCUEWMSOQNLGU-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN Cc1ccc(Cl)cc1Nc1sc(C(=O)c2ccc(F)cc2)c(N)c1S(C)(=O)=O ZINC000008611366 562958559 /nfs/dbraw/zinc/95/85/59/562958559.db2.gz LJPQOLMEHICSBR-UHFFFAOYSA-N 0 0 438.933 4.809 50 0 IJAARN COc1ccccc1CCNC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O ZINC000008613024 562959319 /nfs/dbraw/zinc/95/93/19/562959319.db2.gz DFBHWHNRNSTJJK-UHFFFAOYSA-N 0 0 433.504 4.683 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000008612867 562959325 /nfs/dbraw/zinc/95/93/25/562959325.db2.gz KMJATTASBVBUTG-HSZRJFAPSA-N 0 0 445.471 4.765 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1Cl ZINC000008614257 562959558 /nfs/dbraw/zinc/95/95/58/562959558.db2.gz FGEQEZGYSMGUQX-UHFFFAOYSA-N 0 0 439.943 4.525 50 0 IJAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000008614831 562959662 /nfs/dbraw/zinc/95/96/62/562959662.db2.gz AOCPHVUCWMBGST-IBGZPJMESA-N 0 0 437.908 4.718 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000008619617 562959937 /nfs/dbraw/zinc/95/99/37/562959937.db2.gz HMFCYSIOIMTAPZ-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN CCOc1ccc(C(=O)NCCc2sc(-c3ccc(OC)c(OC)c3)nc2C)cc1 ZINC000008626927 562960060 /nfs/dbraw/zinc/96/00/60/562960060.db2.gz RZZSSSXSEJOBMI-UHFFFAOYSA-N 0 0 426.538 4.507 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@@H](C)CCc3ccco3)c2C)c1-c1ccccc1 ZINC000008671716 562960929 /nfs/dbraw/zinc/96/09/29/562960929.db2.gz TYYVAWFHGOFCFS-KRWDZBQOSA-N 0 0 430.552 4.985 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)N[C@H](C)CCc3ccco3)c2C)c1-c1ccccc1 ZINC000008671717 562960951 /nfs/dbraw/zinc/96/09/51/562960951.db2.gz TYYVAWFHGOFCFS-QGZVFWFLSA-N 0 0 430.552 4.985 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(C)c1 ZINC000008685960 562962623 /nfs/dbraw/zinc/96/26/23/562962623.db2.gz DZVBPSZMJFTDHR-UHFFFAOYSA-N 0 0 427.504 4.757 50 0 IJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)NCc1ccco1 ZINC000008686305 562962785 /nfs/dbraw/zinc/96/27/85/562962785.db2.gz OXDUKHCCTUESQV-OAHLLOKOSA-N 0 0 430.599 4.826 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2OCC(C)(C)C1=O ZINC000009167485 562967948 /nfs/dbraw/zinc/96/79/48/562967948.db2.gz JMYRXSBTDJPFAT-UHFFFAOYSA-N 0 0 444.597 4.883 50 0 IJAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N(C)C4CCCCC4)c3)nn12 ZINC000009451338 562971409 /nfs/dbraw/zinc/97/14/09/562971409.db2.gz UCNWYQMJWBSZFZ-UHFFFAOYSA-N 0 0 449.580 4.515 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009502781 562972375 /nfs/dbraw/zinc/97/23/75/562972375.db2.gz JKGGFVABTBFVOC-LJQANCHMSA-N 0 0 445.592 4.917 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)CCc1cccnc1)C2 ZINC000011982949 562980051 /nfs/dbraw/zinc/98/00/51/562980051.db2.gz VVTLOINDJCVDEU-LJQANCHMSA-N 0 0 429.545 4.719 50 0 IJAARN Cc1ccn(CCC(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1 ZINC000012077971 562980656 /nfs/dbraw/zinc/98/06/56/562980656.db2.gz IGJAWZGOFYELDC-FQEVSTJZSA-N 0 0 434.927 4.503 50 0 IJAARN Cc1ccn(CCC(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1 ZINC000012077973 562980680 /nfs/dbraw/zinc/98/06/80/562980680.db2.gz IGJAWZGOFYELDC-HXUWFJFHSA-N 0 0 434.927 4.503 50 0 IJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013001594 562983864 /nfs/dbraw/zinc/98/38/64/562983864.db2.gz NDDSMUFDHZCLEC-UHFFFAOYSA-N 0 0 431.751 4.518 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)c(C)c1 ZINC000015941575 563019536 /nfs/dbraw/zinc/01/95/36/563019536.db2.gz NZAPQTVNUDGFHX-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN CCNC(=O)c1cccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)c1 ZINC000015023755 568632272 /nfs/dbraw/zinc/63/22/72/568632272.db2.gz MAQGIUBQFYZLFN-UHFFFAOYSA-N 0 0 442.494 4.989 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(c4ccc(F)cc4)C3=O)c2)c1 ZINC000000938705 568639370 /nfs/dbraw/zinc/63/93/70/568639370.db2.gz XJCUPEYWTKJOIF-UHFFFAOYSA-N 0 0 449.869 4.822 50 0 IJAARN COC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000000938530 568639437 /nfs/dbraw/zinc/63/94/37/568639437.db2.gz GFWVKGHOFWOWGL-UHFFFAOYSA-N 0 0 448.862 4.701 50 0 IJAARN O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000025146053 568641209 /nfs/dbraw/zinc/64/12/09/568641209.db2.gz DJRNLNPQIPKEAA-VWLOTQADSA-N 0 0 437.503 4.841 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000086077332 568644640 /nfs/dbraw/zinc/64/46/40/568644640.db2.gz KXVRSHSMNXYNIS-AWEZNQCLSA-N 0 0 428.895 4.676 50 0 IJAARN Cc1ccc(NC(=O)C2(N(C)C(=O)c3ccccn3)CCCCC2)cc1Br ZINC000000974545 568647633 /nfs/dbraw/zinc/64/76/33/568647633.db2.gz INHOBVBOBYALTL-UHFFFAOYSA-N 0 0 430.346 4.566 50 0 IJAARN CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001060066 568655341 /nfs/dbraw/zinc/65/53/41/568655341.db2.gz GJVJESMKXGWWAT-UHFFFAOYSA-N 0 0 448.544 4.789 50 0 IJAARN CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(C)=O ZINC000001078216 568656801 /nfs/dbraw/zinc/65/68/01/568656801.db2.gz HERXDMZGRGPLFY-IOMROCGXSA-N 0 0 447.712 4.973 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000025424828 568657220 /nfs/dbraw/zinc/65/72/20/568657220.db2.gz KWWIURPWSWYJFC-UHFFFAOYSA-N 0 0 441.896 4.698 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1cc(C)c(C)cc1C ZINC000001072149 568657778 /nfs/dbraw/zinc/65/77/78/568657778.db2.gz DOYUESXKJVJCBA-UHFFFAOYSA-N 0 0 440.487 4.821 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)OC(C)(C)C)ccc3c2=O)cc1OC ZINC000001134662 568662168 /nfs/dbraw/zinc/66/21/68/568662168.db2.gz IKIZBYHVNNHLBC-UHFFFAOYSA-N 0 0 426.465 4.506 50 0 biogenic IJAARN CCc1ccccc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000001157147 568663734 /nfs/dbraw/zinc/66/37/34/568663734.db2.gz DGAVWJYDHVUHGZ-UHFFFAOYSA-N 0 0 428.598 4.592 50 0 IJAARN Cc1cc(OC(=O)c2ccccc2)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 ZINC000001158567 568664046 /nfs/dbraw/zinc/66/40/46/568664046.db2.gz OZCTUMNONPDOCI-UHFFFAOYSA-N 0 0 434.517 4.899 50 0 IJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000001179675 568735880 /nfs/dbraw/zinc/73/58/80/568735880.db2.gz DJMZYOGNBDXSME-UHFFFAOYSA-N 0 0 445.548 4.563 50 0 IJAARN O=C(CC1(CC2=NS(=O)(=O)c3ccccc3N2)CCCC1)NC1CCCCCCC1 ZINC000005932478 568738594 /nfs/dbraw/zinc/73/85/94/568738594.db2.gz FIZGZFMMPHNXPV-UHFFFAOYSA-N 0 0 431.602 4.769 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1OC ZINC000025618189 568740092 /nfs/dbraw/zinc/74/00/92/568740092.db2.gz VBWCLYQKMMBUMX-GOSISDBHSA-N 0 0 442.462 4.933 50 0 IJAARN CC(=O)N(c1nc(Cn2cnc3sccc3c2=O)cs1)c1c(C)cc(C)cc1Cl ZINC000031641147 568741331 /nfs/dbraw/zinc/74/13/31/568741331.db2.gz JQBXDBDSZRKAQS-UHFFFAOYSA-N 0 0 444.969 4.918 50 0 IJAARN COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c1=O ZINC000002102248 568742737 /nfs/dbraw/zinc/74/27/37/568742737.db2.gz AZHNRTMOICLYJA-UHFFFAOYSA-N 0 0 446.411 4.850 50 0 biogenic IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000003226842 568743285 /nfs/dbraw/zinc/74/32/85/568743285.db2.gz ATASBFGHZFVBHS-UHFFFAOYSA-N 0 0 443.572 4.979 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003258974 568744095 /nfs/dbraw/zinc/74/40/95/568744095.db2.gz ZVOWWXRNERYDKE-UHFFFAOYSA-N 0 0 443.286 4.723 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)c(C(=O)C(F)(F)F)s2)c1 ZINC000003256696 568744201 /nfs/dbraw/zinc/74/42/01/568744201.db2.gz VDEQJPBSWJLDJB-UHFFFAOYSA-N 0 0 442.440 4.886 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000003291780 568745351 /nfs/dbraw/zinc/74/53/51/568745351.db2.gz CWRHYEULZIIYNA-RDTXWAMCSA-N 0 0 441.622 4.851 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000003294187 568745380 /nfs/dbraw/zinc/74/53/80/568745380.db2.gz IORHEIJTOMTRCX-UHFFFAOYSA-N 0 0 439.471 4.537 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc(=O)c2ccccc2o1 ZINC000003298865 568745517 /nfs/dbraw/zinc/74/55/17/568745517.db2.gz PPKACTNAUYCDHE-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN COc1cc(CCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000003306074 568745877 /nfs/dbraw/zinc/74/58/77/568745877.db2.gz IVHQRRBJCYAZDC-CQSZACIVSA-N 0 0 448.972 4.823 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cn2c(COc3ccc(C)cc3)nc3ccccc32)c1 ZINC000003345866 568746477 /nfs/dbraw/zinc/74/64/77/568746477.db2.gz PHXPCEHNMWTYNN-UHFFFAOYSA-N 0 0 431.492 4.580 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccccc1 ZINC000003347249 568746685 /nfs/dbraw/zinc/74/66/85/568746685.db2.gz WGLQGQPEHZWKHT-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN CCCc1cc(=O)[nH]c(SCc2nc(-c3ccccc3OCc3ccccc3)no2)n1 ZINC000044169549 568749140 /nfs/dbraw/zinc/74/91/40/568749140.db2.gz WWZUHYGUBGTIOW-UHFFFAOYSA-N 0 0 434.521 4.644 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)s2)cc1 ZINC000003633896 568752386 /nfs/dbraw/zinc/75/23/86/568752386.db2.gz JYXLZLGVYSFLGG-UHFFFAOYSA-N 0 0 444.516 4.642 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000003655695 568753340 /nfs/dbraw/zinc/75/33/40/568753340.db2.gz ZMLUBELUVCAQFK-IBGZPJMESA-N 0 0 433.489 4.573 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000031876009 568758761 /nfs/dbraw/zinc/75/87/61/568758761.db2.gz FYNZWVJOPBPENF-MRXNPFEDSA-N 0 0 435.476 4.563 50 0 IJAARN O=C1C[C@H](c2ccc3nccnc3c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc32)O1 ZINC000263588099 568761023 /nfs/dbraw/zinc/76/10/23/568761023.db2.gz PBLGLUPCAIVVOC-QGZVFWFLSA-N 0 0 438.414 4.983 50 0 IJAARN Cc1ccc(Cl)c2sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000015391502 568761725 /nfs/dbraw/zinc/76/17/25/568761725.db2.gz ZRMRMMZDEFHCKZ-UHFFFAOYSA-N 0 0 429.350 4.714 50 0 IJAARN COc1ccc(C(=O)COc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 ZINC000001237912 568774313 /nfs/dbraw/zinc/77/43/13/568774313.db2.gz RRTXQKCXVCQSTM-UHFFFAOYSA-N 0 0 446.455 4.748 50 0 biogenic IJAARN CCOc1cc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)cc(OCC)c1OCC ZINC000005441243 568774388 /nfs/dbraw/zinc/77/43/88/568774388.db2.gz QQJQYVIOHVFPDI-UHFFFAOYSA-N 0 0 426.513 4.652 50 0 IJAARN O=C(Nc1ccc(OCCn2cncn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004108855 568775516 /nfs/dbraw/zinc/77/55/16/568775516.db2.gz TUWHMFLUVKSPSZ-UHFFFAOYSA-N 0 0 444.335 4.647 50 0 IJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)c(F)c5)no4)c3CO2)cc1 ZINC000263615826 568776128 /nfs/dbraw/zinc/77/61/28/568776128.db2.gz FJOPZDPSRKXBSE-GOSISDBHSA-N 0 0 426.835 4.673 50 0 IJAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263616331 568776539 /nfs/dbraw/zinc/77/65/39/568776539.db2.gz ICRRFAZCDOSVNG-IBGZPJMESA-N 0 0 442.397 4.899 50 0 IJAARN O=C(c1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21)N1CCCCC1 ZINC000001295495 568778617 /nfs/dbraw/zinc/77/86/17/568778617.db2.gz VICZAFXUSJXMQA-HXUWFJFHSA-N 0 0 428.532 4.861 50 0 IJAARN COc1cc(C(=O)Oc2ccc3cc(-c4ccccc4)c(=O)oc3c2)cc(OC)c1OC ZINC000001317595 568779497 /nfs/dbraw/zinc/77/94/97/568779497.db2.gz AFVHYRMKYSQXJU-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN Nc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000004124752 568780699 /nfs/dbraw/zinc/78/06/99/568780699.db2.gz JJIUBUHFVZBAKC-QHCPKHFHSA-N 0 0 441.314 4.583 50 0 IJAARN CC(C)CN1c2ccc(F)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000032104462 568780798 /nfs/dbraw/zinc/78/07/98/568780798.db2.gz WUGGVSPIQKILEY-HSZRJFAPSA-N 0 0 438.890 4.945 50 0 IJAARN CN(C)C=C(C(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001400402 568786104 /nfs/dbraw/zinc/78/61/04/568786104.db2.gz GBDWPXSCZZJVOM-UHFFFAOYSA-N 0 0 445.363 4.747 50 0 IJAARN Cc1nc2cc(F)cc(C(=O)Nc3cc(C(=O)N(C)C(C)C)ccc3Cl)c2nc1C ZINC000084057252 568790314 /nfs/dbraw/zinc/79/03/14/568790314.db2.gz OLYPXRIDGAYUCU-UHFFFAOYSA-N 0 0 428.895 4.772 50 0 IJAARN Cc1onc2c1c(C)nn(Cc1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)c2=O ZINC000084067710 568791054 /nfs/dbraw/zinc/79/10/54/568791054.db2.gz BPEYLUJNCRQBTO-UHFFFAOYSA-N 0 0 431.883 4.556 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)SCc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000015496328 568792975 /nfs/dbraw/zinc/79/29/75/568792975.db2.gz DQVZAWQBLDCVTO-LBPRGKRZSA-N 0 0 446.939 4.559 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)ccc1OCc1ccccc1 ZINC000001427895 568794128 /nfs/dbraw/zinc/79/41/28/568794128.db2.gz HVFDIDHVXPBKEC-FQEVSTJZSA-N 0 0 441.483 4.567 50 0 IJAARN C[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)[C@H](O)c1ccc(Br)cc1 ZINC000084139744 568794544 /nfs/dbraw/zinc/79/45/44/568794544.db2.gz LLFFSSSNTUGMHW-BONVTDFDSA-N 0 0 426.236 4.945 50 0 IJAARN O=C1c2ccccc2N[C@@H](C2=Cc3cc(Br)ccc3OC2)N1CC(F)(F)F ZINC000084576902 568798845 /nfs/dbraw/zinc/79/88/45/568798845.db2.gz KDCCBLQLYBXWPD-QGZVFWFLSA-N 0 0 439.231 4.681 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1 ZINC000015671345 568802996 /nfs/dbraw/zinc/80/29/96/568802996.db2.gz ZHDJCQUOOYTZNP-UHFFFAOYSA-N 0 0 437.569 4.628 50 0 IJAARN CCOCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672838 568803348 /nfs/dbraw/zinc/80/33/48/568803348.db2.gz KRRDNOQTNLJJTA-XMMPIXPASA-N 0 0 445.629 4.573 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675435 568803787 /nfs/dbraw/zinc/80/37/87/568803787.db2.gz OMOIGLLMIUBBSI-AREMUKBSSA-N 0 0 449.551 4.891 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C1CCCCCC1)C2=O ZINC000015676346 568804239 /nfs/dbraw/zinc/80/42/39/568804239.db2.gz WZOUVKQPPTVWHS-SANMLTNESA-N 0 0 442.648 4.957 50 0 IJAARN COc1ccc(CCNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c(OC)c1 ZINC000015677718 568805031 /nfs/dbraw/zinc/80/50/31/568805031.db2.gz HIWHUIZSMSPJAA-UHFFFAOYSA-N 0 0 433.552 4.575 50 0 IJAARN CC[C@H](Sc1nnc(-c2cc3occc3n2C)n1-c1ccccc1C)C(=O)N1CCCC1 ZINC000015679540 568806125 /nfs/dbraw/zinc/80/61/25/568806125.db2.gz GALKKNKMHUSRBE-NRFANRHFSA-N 0 0 449.580 4.821 50 0 IJAARN CCn1c2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2nc(C)c1=O ZINC000005243623 568813274 /nfs/dbraw/zinc/81/32/74/568813274.db2.gz FRZRSNKLKVWWTO-UHFFFAOYSA-N 0 0 425.532 4.677 50 0 IJAARN CC[C@@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)NCCc1ccccc1 ZINC000015733497 568815912 /nfs/dbraw/zinc/81/59/12/568815912.db2.gz KARQETVIABZTGN-JOCHJYFZSA-N 0 0 427.504 4.920 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)cc1Cl ZINC000015734474 568816530 /nfs/dbraw/zinc/81/65/30/568816530.db2.gz QNUMTEHYCNKJMX-UHFFFAOYSA-N 0 0 433.895 4.668 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734862 568816544 /nfs/dbraw/zinc/81/65/44/568816544.db2.gz FAOQVXLESQUGOG-UHFFFAOYSA-N 0 0 443.370 4.823 50 0 IJAARN COc1nc(OC)nc(Oc2cccc(-c3ccccc3)c2C(=O)OCc2ccccc2)n1 ZINC000085388617 568816681 /nfs/dbraw/zinc/81/66/81/568816681.db2.gz DHKZBZMVSYGNCF-UHFFFAOYSA-N 0 0 443.459 4.705 50 0 IJAARN O=C(CCn1ccnc1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000085392848 568816782 /nfs/dbraw/zinc/81/67/82/568816782.db2.gz NXXDKSYEYVLJPY-UHFFFAOYSA-N 0 0 437.547 4.845 50 0 IJAARN CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC)c1c2-c1ccc(C)c(C)c1 ZINC000001453218 568819048 /nfs/dbraw/zinc/81/90/48/568819048.db2.gz SVAWNNMYFIERAJ-UHFFFAOYSA-N 0 0 436.464 4.981 50 0 IJAARN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCc2ccccc2C1 ZINC000001462331 568819839 /nfs/dbraw/zinc/81/98/39/568819839.db2.gz NAIVDFYIMVKGMB-MHZLTWQESA-N 0 0 442.584 4.702 50 0 IJAARN COc1ccc2nc(NC(=O)/C=C/c3cccc(I)c3)sc2c1 ZINC000001500893 568832180 /nfs/dbraw/zinc/83/21/80/568832180.db2.gz LYSSLWUVDPRLPH-VMPITWQZSA-N 0 0 436.274 4.561 50 0 IJAARN O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664775 568833869 /nfs/dbraw/zinc/83/38/69/568833869.db2.gz YGFOOUHBJWDHFE-UHFFFAOYSA-N 0 0 425.816 4.750 50 0 IJAARN Cc1ccc(NC=C2N=C(c3ccccc3Br)OC2=O)c(Br)c1 ZINC000001507142 568834321 /nfs/dbraw/zinc/83/43/21/568834321.db2.gz QYBSACZUBYPXCB-DHDCSXOGSA-N 0 0 436.103 4.777 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(OC)cc2)c1C ZINC000085711130 568835060 /nfs/dbraw/zinc/83/50/60/568835060.db2.gz ICDGWCHLRMDNAB-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000001300399 568836656 /nfs/dbraw/zinc/83/66/56/568836656.db2.gz FKXURXKEQXFSRB-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)c1cc(-c2ccccc2F)no1 ZINC000019288805 568836851 /nfs/dbraw/zinc/83/68/51/568836851.db2.gz IMUIRJXEFQTXLU-INIZCTEOSA-N 0 0 436.409 4.991 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000825839 568837964 /nfs/dbraw/zinc/83/79/64/568837964.db2.gz DNNRNQCQNCRHHM-XMMPIXPASA-N 0 0 428.488 4.637 50 0 IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccccc3)CC(=O)O4)c2=O)cc1 ZINC000085879970 568839187 /nfs/dbraw/zinc/83/91/87/568839187.db2.gz NHXLEVQANUCFRQ-SFHVURJKSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001516349 568839568 /nfs/dbraw/zinc/83/95/68/568839568.db2.gz UTJMYPDBFKSTMP-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)c1 ZINC000015822071 568840000 /nfs/dbraw/zinc/84/00/00/568840000.db2.gz RIWAYQLKALVXLU-FQEVSTJZSA-N 0 0 440.297 4.632 50 0 IJAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCc1cccc(Br)c1 ZINC000015827166 568840847 /nfs/dbraw/zinc/84/08/47/568840847.db2.gz FXOHBKZBLKTFLV-UHFFFAOYSA-N 0 0 425.373 4.657 50 0 IJAARN Nc1c(Br)cc2c(c1Br)C(=O)c1cc(Br)ccc1-2 ZINC000000642716 568841632 /nfs/dbraw/zinc/84/16/32/568841632.db2.gz QIHHRTJXAQZCQB-UHFFFAOYSA-N 0 0 431.909 4.768 50 0 IJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000006135606 568845040 /nfs/dbraw/zinc/84/50/40/568845040.db2.gz ALODURCTNLNDIM-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)cc1 ZINC000015860593 568847820 /nfs/dbraw/zinc/84/78/20/568847820.db2.gz KFAVCCVMEAEDAB-UHFFFAOYSA-N 0 0 442.544 4.841 50 0 IJAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccnc2)N2CCOCC2)cc1 ZINC000015859601 568847893 /nfs/dbraw/zinc/84/78/93/568847893.db2.gz SDRMTNCCQKUNPO-DEOSSOPVSA-N 0 0 427.504 4.810 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870557 568851941 /nfs/dbraw/zinc/85/19/41/568851941.db2.gz NYJKPVONKFGXFV-UHFFFAOYSA-N 0 0 435.549 4.558 50 0 IJAARN O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)Nc1ccc(Cl)cc1 ZINC000015880631 568854939 /nfs/dbraw/zinc/85/49/39/568854939.db2.gz PASRYGYAMZYCLV-UHFFFAOYSA-N 0 0 426.929 4.962 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Cl)cc1 ZINC000015882231 568856786 /nfs/dbraw/zinc/85/67/86/568856786.db2.gz BPDZDXJBEAECKZ-UHFFFAOYSA-N 0 0 428.945 4.588 50 0 IJAARN CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000015931287 568858867 /nfs/dbraw/zinc/85/88/67/568858867.db2.gz KNLMOLHONGBGMW-UONOGXRCSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1F ZINC000015997371 568862091 /nfs/dbraw/zinc/86/20/91/568862091.db2.gz NGOMERCHDBFHOC-UHFFFAOYSA-N 0 0 438.952 4.615 50 0 IJAARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000016047997 568869369 /nfs/dbraw/zinc/86/93/69/568869369.db2.gz VUCTYASSRRAEJA-UHFFFAOYSA-N 0 0 434.542 4.890 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3C)C2)c2ccccc12 ZINC000012942801 568870088 /nfs/dbraw/zinc/87/00/88/568870088.db2.gz SZZYKHDCBBHBHJ-OAQYLSRUSA-N 0 0 430.548 4.668 50 0 IJAARN O=C(CCC(=O)c1ccc(F)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012943426 568870484 /nfs/dbraw/zinc/87/04/84/568870484.db2.gz HQZXEUKISPYUQT-UHFFFAOYSA-N 0 0 427.479 4.958 50 0 IJAARN COc1ccc(C(=O)Oc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OC)cc1 ZINC000026465687 568877811 /nfs/dbraw/zinc/87/78/11/568877811.db2.gz BGUCGBFDLSIEMA-DHDCSXOGSA-N 0 0 435.910 4.906 50 0 IJAARN O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1cccc(C(F)(F)F)c1 ZINC000575609461 568878906 /nfs/dbraw/zinc/87/89/06/568878906.db2.gz BXSZEIGUWSUDAV-AWEZNQCLSA-N 0 0 433.498 4.507 50 0 IJAARN CCOc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)s2)cc1 ZINC000063957713 568880986 /nfs/dbraw/zinc/88/09/86/568880986.db2.gz PLSQLVQKHCBMJJ-UHFFFAOYSA-N 0 0 428.558 4.863 50 0 IJAARN COc1cc(C(C)=O)ccc1OCC(=O)NCc1sc(-c2ccccc2Cl)nc1C ZINC000090593126 568888991 /nfs/dbraw/zinc/88/89/91/568888991.db2.gz RPQMAULRAZCHTD-UHFFFAOYSA-N 0 0 444.940 4.678 50 0 IJAARN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000027142143 568894805 /nfs/dbraw/zinc/89/48/05/568894805.db2.gz BPJNRRCWXGKFJT-LZCJLJQNSA-N 0 0 447.318 4.613 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3I)cc2)cs1 ZINC000012985470 568895756 /nfs/dbraw/zinc/89/57/56/568895756.db2.gz BJVBTXLFGMWSOO-UHFFFAOYSA-N 0 0 448.329 4.696 50 0 IJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(C)c2ccccc2)cc1OC ZINC000016446033 568902861 /nfs/dbraw/zinc/90/28/61/568902861.db2.gz VGKLEGSTXSFHBK-HXUWFJFHSA-N 0 0 435.549 4.579 50 0 IJAARN Cc1ccc(N2O[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000238923846 568910279 /nfs/dbraw/zinc/91/02/79/568910279.db2.gz PMGVEKQRRLEQFH-ZRBLBEILSA-N 0 0 432.907 4.695 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000245310359 568914642 /nfs/dbraw/zinc/91/46/42/568914642.db2.gz ILHSREBFKREXTF-UBFVSLLYSA-N 0 0 442.515 4.753 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000016498949 568920345 /nfs/dbraw/zinc/92/03/45/568920345.db2.gz SVRNBNKYKYPDTP-UHFFFAOYSA-N 0 0 428.510 4.551 50 0 IJAARN CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1F ZINC000016497717 568920455 /nfs/dbraw/zinc/92/04/55/568920455.db2.gz WZPJRITYBVUVQI-UHFFFAOYSA-N 0 0 445.487 4.783 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000035793382 568923056 /nfs/dbraw/zinc/92/30/56/568923056.db2.gz NGJQBPWDEUAIKC-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN CC(C)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)Cc1cccs1 ZINC000035796536 568923120 /nfs/dbraw/zinc/92/31/20/568923120.db2.gz VPPKQDURSPIQRE-UHFFFAOYSA-N 0 0 426.607 4.818 50 0 IJAARN COc1cc(NC(=O)CN2CC=C(c3c[nH]c4ccccc43)CC2)c(OC)cc1Cl ZINC000089420794 568924431 /nfs/dbraw/zinc/92/44/31/568924431.db2.gz HKVRXDKQRFUTBM-UHFFFAOYSA-N 0 0 425.916 4.566 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016627693 568926761 /nfs/dbraw/zinc/92/67/61/568926761.db2.gz RVTYDQOIEPGQLP-UHFFFAOYSA-N 0 0 449.334 4.965 50 0 IJAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000089499577 568927736 /nfs/dbraw/zinc/92/77/36/568927736.db2.gz YJHRTTGQLCMMOE-DEOSSOPVSA-N 0 0 438.531 4.590 50 0 IJAARN COc1ccc(Br)cc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000015363725 568928148 /nfs/dbraw/zinc/92/81/48/568928148.db2.gz PSRGQUCVABQBTR-UHFFFAOYSA-N 0 0 448.741 4.604 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064558031 568931922 /nfs/dbraw/zinc/93/19/22/568931922.db2.gz PUTBHYWOKOCPKD-JOCHJYFZSA-N 0 0 433.529 4.630 50 0 IJAARN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064558278 568932166 /nfs/dbraw/zinc/93/21/66/568932166.db2.gz GEQFUPGUEHVMTO-QFIPXVFZSA-N 0 0 433.529 4.630 50 0 IJAARN CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCSCC3)nc3ccc(C)cc32)c1 ZINC000064568462 568933752 /nfs/dbraw/zinc/93/37/52/568933752.db2.gz UHODOQMUVYJNFY-UHFFFAOYSA-N 0 0 435.549 4.653 50 0 IJAARN CCn1c(SCC(=O)N(C)c2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000064590750 568935472 /nfs/dbraw/zinc/93/54/72/568935472.db2.gz JVMFSDFTFIUALS-UHFFFAOYSA-N 0 0 435.574 4.900 50 0 IJAARN O=C1C[C@@H](c2ccccc2Br)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656614 568942207 /nfs/dbraw/zinc/94/22/07/568942207.db2.gz PXGSFJUGADHBAO-AWEZNQCLSA-N 0 0 448.363 4.818 50 0 IJAARN CCN1c2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3)cc2Sc2ccccc2C1=O ZINC000064666656 568942939 /nfs/dbraw/zinc/94/29/39/568942939.db2.gz MWFNMXIOJVFYGU-INIZCTEOSA-N 0 0 445.544 4.575 50 0 IJAARN Cc1c(S(=O)(=O)N2CCCCC2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000064668175 568943136 /nfs/dbraw/zinc/94/31/36/568943136.db2.gz QKEMTWRBOBIHTL-UHFFFAOYSA-N 0 0 436.002 4.952 50 0 IJAARN CCCCn1c(SCC(=O)c2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064700308 568944303 /nfs/dbraw/zinc/94/43/03/568944303.db2.gz BMMMTISYLIZKPU-UHFFFAOYSA-N 0 0 427.526 4.920 50 0 IJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(OC)c2)n1 ZINC000036072489 568946096 /nfs/dbraw/zinc/94/60/96/568946096.db2.gz WLIFEOHBHZPRAQ-KRWDZBQOSA-N 0 0 425.504 4.553 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036072548 568946248 /nfs/dbraw/zinc/94/62/48/568946248.db2.gz HYMDJRXVFHZRIN-UHFFFAOYSA-N 0 0 435.421 4.785 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083865 568947543 /nfs/dbraw/zinc/94/75/43/568947543.db2.gz BQJNGOVMRCONOG-OAQYLSRUSA-N 0 0 428.916 4.549 50 0 IJAARN CCN1CCN(c2nn3c(nc(-c4ccc(C)c(C)c4)c3NC3CCCCC3)s2)CC1 ZINC000064746062 568949415 /nfs/dbraw/zinc/94/94/15/568949415.db2.gz DAQPESWXIYVRJG-UHFFFAOYSA-N 0 0 438.645 4.961 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O ZINC000064746874 568949564 /nfs/dbraw/zinc/94/95/64/568949564.db2.gz GAKLXVPJIKWQFG-UHFFFAOYSA-N 0 0 446.454 4.589 50 0 IJAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3OC)no2)cc1Cl ZINC000064747660 568950047 /nfs/dbraw/zinc/95/00/47/568950047.db2.gz BBVOIYHRHBISNA-INIZCTEOSA-N 0 0 428.876 4.776 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746924 568950220 /nfs/dbraw/zinc/95/02/20/568950220.db2.gz KVJFWJQKHYZZJM-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cc(C)ccc4C)CC3=O)c2)c1 ZINC000064754791 568950966 /nfs/dbraw/zinc/95/09/66/568950966.db2.gz WFUFPLZWFYJCSL-NRFANRHFSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(C)c4C)CC3=O)c2)cc1 ZINC000064754684 568951033 /nfs/dbraw/zinc/95/10/33/568951033.db2.gz SIVXKUFMWMXSPA-OAQYLSRUSA-N 0 0 441.531 4.856 50 0 IJAARN CSc1ccc(-n2nnc(C(=O)NCc3cccc(Cl)c3)c2-c2ccccn2)cc1 ZINC000064757968 568952232 /nfs/dbraw/zinc/95/22/32/568952232.db2.gz SUVMLODRAPDTPG-UHFFFAOYSA-N 0 0 435.940 4.635 50 0 IJAARN O=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000064775798 568954899 /nfs/dbraw/zinc/95/48/99/568954899.db2.gz AZMLQSNLNDXBBU-UHFFFAOYSA-N 0 0 445.292 4.617 50 0 IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000036115686 568955609 /nfs/dbraw/zinc/95/56/09/568955609.db2.gz OFSZQFZZJGCOBK-HXUWFJFHSA-N 0 0 447.000 4.553 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000036115845 568955615 /nfs/dbraw/zinc/95/56/15/568955615.db2.gz GTRCVGVHPBNQCL-HXUWFJFHSA-N 0 0 447.000 4.555 50 0 IJAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(C)=O ZINC000036119066 568956128 /nfs/dbraw/zinc/95/61/28/568956128.db2.gz MDPLWXHGRUKPBX-VGSWGCGISA-N 0 0 442.625 4.764 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000006704485 568956758 /nfs/dbraw/zinc/95/67/58/568956758.db2.gz LWEXRKBUABTHMQ-QFIPXVFZSA-N 0 0 426.488 4.541 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)[C@H](C)CC ZINC000036119907 568956951 /nfs/dbraw/zinc/95/69/51/568956951.db2.gz IDQZTCXMXZTNBW-NQIIRXRSSA-N 0 0 428.598 4.598 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121422 568957783 /nfs/dbraw/zinc/95/77/83/568957783.db2.gz NUOWJRUUGXANCY-UWJYYQICSA-N 0 0 446.588 4.675 50 0 IJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)NC(C)(C)C)c1 ZINC000006712969 568960949 /nfs/dbraw/zinc/96/09/49/568960949.db2.gz KFGRNLMYGZFFQH-UHFFFAOYSA-N 0 0 428.577 4.841 50 0 IJAARN CC(C)CN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006723084 568963342 /nfs/dbraw/zinc/96/33/42/568963342.db2.gz CCPQJXKERSUWNZ-UHFFFAOYSA-N 0 0 425.548 4.929 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)c(C)c1 ZINC000064815902 568963718 /nfs/dbraw/zinc/96/37/18/568963718.db2.gz AOAFKTVMOOAWJS-DEOSSOPVSA-N 0 0 436.581 4.562 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nc(-c4ccccc4C)no3)CC2)cc1Cl ZINC000064818124 568965004 /nfs/dbraw/zinc/96/50/04/568965004.db2.gz VBBBIXUCIZRXFJ-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN CC(=O)Nc1cc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)ccc1C ZINC000064818308 568966404 /nfs/dbraw/zinc/96/64/04/568966404.db2.gz FGYKMGWSWFYCLC-UHFFFAOYSA-N 0 0 438.915 4.677 50 0 IJAARN COc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036164439 568968024 /nfs/dbraw/zinc/96/80/24/568968024.db2.gz HOHOLEWAQJLLET-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN Cc1cccc(OCc2nc(CCN(C)C(=O)Nc3cc(Cl)ccc3Cl)no2)c1 ZINC000064840315 568969800 /nfs/dbraw/zinc/96/98/00/568969800.db2.gz VTRBGOXNKFJMHE-UHFFFAOYSA-N 0 0 435.311 4.970 50 0 IJAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847768 568971265 /nfs/dbraw/zinc/97/12/65/568971265.db2.gz ADUUHOVPSQVSCD-HNNXBMFYSA-N 0 0 443.931 4.630 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000064844424 568971825 /nfs/dbraw/zinc/97/18/25/568971825.db2.gz ZPCPERGXVSFOFM-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)c1 ZINC000064844394 568971868 /nfs/dbraw/zinc/97/18/68/568971868.db2.gz WMNROQIJYVZHAH-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cccc3C)c2)c1C ZINC000064867103 568975034 /nfs/dbraw/zinc/97/50/34/568975034.db2.gz PHUWYRNPOJYBQP-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(OC)c(OC)c2)CC3)cc1 ZINC000064868002 568975534 /nfs/dbraw/zinc/97/55/34/568975534.db2.gz YEXPTRWVXPKZBO-UHFFFAOYSA-N 0 0 439.537 4.816 50 0 IJAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000064871906 568977923 /nfs/dbraw/zinc/97/79/23/568977923.db2.gz LCZBYNDAYUJMKC-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN CCc1cccc(NC(=O)c2ccc(-n3nc(OCc4cccc(C)c4)ccc3=O)cc2)c1 ZINC000064873236 568978297 /nfs/dbraw/zinc/97/82/97/568978297.db2.gz MGXTWHRMSYCRHD-UHFFFAOYSA-N 0 0 439.515 4.935 50 0 IJAARN COc1cccc([C@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246908 568982065 /nfs/dbraw/zinc/98/20/65/568982065.db2.gz LSLCHDULQHUMDK-SFHVURJKSA-N 0 0 441.549 4.977 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(C)c(F)c2)cc1 ZINC000036247403 568982340 /nfs/dbraw/zinc/98/23/40/568982340.db2.gz XZWVRXPEGBEBBX-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN COc1ccc(N([C@H](C)c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247799 568982435 /nfs/dbraw/zinc/98/24/35/568982435.db2.gz PNEBAGFCIINYEY-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN COc1cc(OC)cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248458 568982693 /nfs/dbraw/zinc/98/26/93/568982693.db2.gz UPWWPMBKUDRONH-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)c2cccc(Cl)c2)c1 ZINC000036248494 568982786 /nfs/dbraw/zinc/98/27/86/568982786.db2.gz ZEMCDBYZPORJLO-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccccc3C)c2C(C)C)C1 ZINC000006772933 568983611 /nfs/dbraw/zinc/98/36/11/568983611.db2.gz RHLDBWVVTSBJCS-IBGZPJMESA-N 0 0 425.573 4.843 50 0 IJAARN O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249609 568984040 /nfs/dbraw/zinc/98/40/40/568984040.db2.gz OFYVJFZMDJMZFZ-UHFFFAOYSA-N 0 0 437.540 4.839 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)s1 ZINC000064930204 568987968 /nfs/dbraw/zinc/98/79/68/568987968.db2.gz OXODRVAYCUCBEO-HNNXBMFYSA-N 0 0 448.882 4.699 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064929975 568988499 /nfs/dbraw/zinc/98/84/99/568988499.db2.gz JNBKOZJEKRHVOS-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1C ZINC000064930344 568988678 /nfs/dbraw/zinc/98/86/78/568988678.db2.gz NOWHRQYKQPGSQF-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064930512 568988915 /nfs/dbraw/zinc/98/89/15/568988915.db2.gz ILYYWONAYBUFPK-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000064948902 568994818 /nfs/dbraw/zinc/99/48/18/568994818.db2.gz ZTXKLTUEWXRYKS-UHFFFAOYSA-N 0 0 437.834 4.681 50 0 IJAARN O=C(CSc1nc2ccccc2n2c(-c3ccccc3)nnc12)Nc1ccccc1F ZINC000064949311 568995007 /nfs/dbraw/zinc/99/50/07/568995007.db2.gz YBALIPNMZUJBNG-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036311291 568997164 /nfs/dbraw/zinc/99/71/64/568997164.db2.gz STMJZAJSZXQBIZ-RUZDIDTESA-N 0 0 447.623 4.939 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(C)cc1 ZINC000036312548 568997794 /nfs/dbraw/zinc/99/77/94/568997794.db2.gz ZXYKTEKFUCWKKF-UHFFFAOYSA-N 0 0 433.552 4.929 50 0 IJAARN O=C(c1ccc(F)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000036312446 568997849 /nfs/dbraw/zinc/99/78/49/568997849.db2.gz UVFDLATXRVJPFJ-JOCHJYFZSA-N 0 0 449.526 4.902 50 0 IJAARN CCC(=O)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)Cc1ccc(F)cc1 ZINC000036314309 568998417 /nfs/dbraw/zinc/99/84/17/568998417.db2.gz YFTSYBDSIGSKFW-UHFFFAOYSA-N 0 0 437.515 4.565 50 0 IJAARN COc1cccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)c1 ZINC000064957125 568999437 /nfs/dbraw/zinc/99/94/37/568999437.db2.gz QMAOAXPDCBIAJO-UHFFFAOYSA-N 0 0 442.519 4.853 50 0 IJAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(Cl)ccc4C)c(=O)[nH]c3C2)cc1 ZINC000064959349 568999649 /nfs/dbraw/zinc/99/96/49/568999649.db2.gz JXZPTTMNUUYVQY-OAHLLOKOSA-N 0 0 436.895 4.510 50 0 IJAARN Cn1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000064963721 569000736 /nfs/dbraw/zinc/00/07/36/569000736.db2.gz PTPLJYNNDWCCHM-UHFFFAOYSA-N 0 0 427.435 4.974 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1OC ZINC000064968179 569076102 /nfs/dbraw/zinc/07/61/02/569076102.db2.gz CCFBGJVOHIDGNU-UHFFFAOYSA-N 0 0 430.504 4.950 50 0 IJAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000064972412 569076878 /nfs/dbraw/zinc/07/68/78/569076878.db2.gz QHYNJZQOTZGMKB-VWLOTQADSA-N 0 0 448.588 4.873 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000064976819 569077225 /nfs/dbraw/zinc/07/72/25/569077225.db2.gz GMSUGTNWTSWZFP-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000064976814 569077237 /nfs/dbraw/zinc/07/72/37/569077237.db2.gz XXFRAZNGPJZYGF-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3ccccc3F)cc2=O)s1 ZINC000064976820 569077293 /nfs/dbraw/zinc/07/72/93/569077293.db2.gz HIHUZPCJDNNDMJ-UHFFFAOYSA-N 0 0 443.887 4.688 50 0 IJAARN CC(C)C(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21 ZINC000064977118 569077518 /nfs/dbraw/zinc/07/75/18/569077518.db2.gz NFIFEKICCBFQKO-UHFFFAOYSA-N 0 0 440.609 4.758 50 0 IJAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)cc1 ZINC000064977853 569077745 /nfs/dbraw/zinc/07/77/45/569077745.db2.gz WBKHWWGNFIXLTL-UHFFFAOYSA-N 0 0 428.879 4.556 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341026 569079206 /nfs/dbraw/zinc/07/92/06/569079206.db2.gz WSFYTGRUROCQSG-QFIPXVFZSA-N 0 0 441.959 4.521 50 0 IJAARN O=C1Nc2ccccc2Oc2cc(NC3CCCCC3)c(S(=O)(=O)N3CCCC3)cc21 ZINC000064986551 569082281 /nfs/dbraw/zinc/08/22/81/569082281.db2.gz UVGGWMCVWOTORL-UHFFFAOYSA-N 0 0 441.553 4.574 50 0 IJAARN CCC(=O)c1cn(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 ZINC000064987065 569082591 /nfs/dbraw/zinc/08/25/91/569082591.db2.gz HXGNRBWLRZASKG-SANMLTNESA-N 0 0 434.536 4.909 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccccc4Cl)CC3)C2=O)c1 ZINC000064989004 569082908 /nfs/dbraw/zinc/08/29/08/569082908.db2.gz KJLGDCOURFYGDK-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000064989673 569083053 /nfs/dbraw/zinc/08/30/53/569083053.db2.gz QGDNZNRHAXRYTB-UHFFFAOYSA-N 0 0 434.923 4.872 50 0 IJAARN CC[C@H](C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2)c1ccccc1 ZINC000064989958 569083135 /nfs/dbraw/zinc/08/31/35/569083135.db2.gz UINKQIBLSRAIEV-DEOSSOPVSA-N 0 0 428.532 4.708 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)COc4ccc(Cl)cc4)cc32)c1 ZINC000064990100 569083138 /nfs/dbraw/zinc/08/31/38/569083138.db2.gz YOAPKVCVDRBVPW-UHFFFAOYSA-N 0 0 434.923 4.547 50 0 IJAARN C[C@H]1Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989894 569083169 /nfs/dbraw/zinc/08/31/69/569083169.db2.gz KVFXWKCWWXWALB-KRWDZBQOSA-N 0 0 434.923 4.627 50 0 IJAARN CCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064990325 569083250 /nfs/dbraw/zinc/08/32/50/569083250.db2.gz GXHDEJCPCQLBRN-UHFFFAOYSA-N 0 0 429.520 4.918 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccc(Cl)cc4)ccc3C[C@H]2C)cc1 ZINC000064990212 569083267 /nfs/dbraw/zinc/08/32/67/569083267.db2.gz GVRWIQQRLGSATE-QGZVFWFLSA-N 0 0 448.950 4.799 50 0 IJAARN CCc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 ZINC000064990755 569083487 /nfs/dbraw/zinc/08/34/87/569083487.db2.gz OHLPWMHCVUZFCR-UHFFFAOYSA-N 0 0 429.520 4.782 50 0 IJAARN O=C(c1c2c(sc1-n1cccc1)CCC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000036357743 569084826 /nfs/dbraw/zinc/08/48/26/569084826.db2.gz JYZOSTFCZQCELA-UHFFFAOYSA-N 0 0 426.969 4.805 50 0 IJAARN CCOc1ccccc1NC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000118 569085787 /nfs/dbraw/zinc/08/57/87/569085787.db2.gz OVGDOIGCFDJIJB-UHFFFAOYSA-N 0 0 448.494 4.783 50 0 IJAARN C[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005635 569087158 /nfs/dbraw/zinc/08/71/58/569087158.db2.gz MEKVGPCLOASKNO-GOSISDBHSA-N 0 0 431.536 4.606 50 0 IJAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)N5CCCC5)CC4)ccc3o2)cc1 ZINC000065006188 569087237 /nfs/dbraw/zinc/08/72/37/569087237.db2.gz POTDCHGPSOCJAQ-UHFFFAOYSA-N 0 0 431.536 4.668 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCCC3)c2oc1C(=O)N1CCCC1 ZINC000065010442 569088091 /nfs/dbraw/zinc/08/80/91/569088091.db2.gz AQXUQRQRLGAMCL-UHFFFAOYSA-N 0 0 432.586 4.595 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)CC)cc2)cc1 ZINC000065026891 569089975 /nfs/dbraw/zinc/08/99/75/569089975.db2.gz UEWPDPMWWVSLBS-UHFFFAOYSA-N 0 0 428.532 4.981 50 0 IJAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(OC(C)C)cc4)cc3)ccc21 ZINC000065027015 569090130 /nfs/dbraw/zinc/09/01/30/569090130.db2.gz YYUHNFFRASEORC-UHFFFAOYSA-N 0 0 428.532 4.980 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025077 569090352 /nfs/dbraw/zinc/09/03/52/569090352.db2.gz AJHVEDLJNCFCIF-UHFFFAOYSA-N 0 0 444.491 4.780 50 0 IJAARN COc1cc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c(OC)cc1Cl ZINC000169759792 569094669 /nfs/dbraw/zinc/09/46/69/569094669.db2.gz QMRAEJOVVYXPLA-FQEVSTJZSA-N 0 0 448.306 4.731 50 0 IJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC(C)C)[C@@H]1c1cccs1 ZINC000006875882 569095221 /nfs/dbraw/zinc/09/52/21/569095221.db2.gz VZCCDIDMWSEYKB-YADHBBJMSA-N 0 0 428.598 4.616 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccc(OC)cc4)nc3)c2)cc1 ZINC000065057937 569095382 /nfs/dbraw/zinc/09/53/82/569095382.db2.gz BANLPDXXLIRYIV-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)c1 ZINC000065058109 569095460 /nfs/dbraw/zinc/09/54/60/569095460.db2.gz FRWMJUXDKFDHHK-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000065059061 569095987 /nfs/dbraw/zinc/09/59/87/569095987.db2.gz UFWOTFOQWAHKHV-JOCHJYFZSA-N 0 0 433.474 4.964 50 0 IJAARN CCCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000065059782 569096179 /nfs/dbraw/zinc/09/61/79/569096179.db2.gz ZAKLNZYOFHCGMJ-UHFFFAOYSA-N 0 0 439.537 4.595 50 0 IJAARN O=S(=O)(c1cccc(Br)c1)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000036392350 569098226 /nfs/dbraw/zinc/09/82/26/569098226.db2.gz MISPPCGAJMDZBA-UHFFFAOYSA-N 0 0 437.746 4.893 50 0 IJAARN Cc1c(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)sc2nc(C)nc(C)c12 ZINC000036394374 569098888 /nfs/dbraw/zinc/09/88/88/569098888.db2.gz RYLBIHSOKNDYCM-UHFFFAOYSA-N 0 0 449.576 4.856 50 0 IJAARN CC[C@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000065074539 569098968 /nfs/dbraw/zinc/09/89/68/569098968.db2.gz WMZBEVKBZPUEES-KRWDZBQOSA-N 0 0 439.537 4.511 50 0 IJAARN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1cc(F)cc(F)c1 ZINC000065075042 569099470 /nfs/dbraw/zinc/09/94/70/569099470.db2.gz YOWPUFGKMWZDPT-SANMLTNESA-N 0 0 434.486 4.547 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(N3CCC[C@H](C(=O)NC4CCCC4)C3)sc12 ZINC000065080683 569101086 /nfs/dbraw/zinc/10/10/86/569101086.db2.gz LAWJLYYNOLGKHJ-HNNXBMFYSA-N 0 0 444.004 4.719 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)sc12 ZINC000065081260 569101300 /nfs/dbraw/zinc/10/13/00/569101300.db2.gz ZFNHHFTZNDJABX-GOSISDBHSA-N 0 0 437.613 4.846 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)sc12 ZINC000065081279 569101414 /nfs/dbraw/zinc/10/14/14/569101414.db2.gz RCRVLYFIVRNZOT-FQEVSTJZSA-N 0 0 445.592 4.632 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NCCCc2ccccc2)CO3)cc1 ZINC000065081776 569102055 /nfs/dbraw/zinc/10/20/55/569102055.db2.gz XEQXWHROTLNJML-HSZRJFAPSA-N 0 0 428.532 4.547 50 0 IJAARN CC1CCC(NC(=O)[C@@H]2COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C2)CC1 ZINC000065082836 569102552 /nfs/dbraw/zinc/10/25/52/569102552.db2.gz IDSXXMVDQRXIOF-VDUSKEEQSA-N 0 0 426.944 4.838 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C2)cc1 ZINC000065082802 569102555 /nfs/dbraw/zinc/10/25/55/569102555.db2.gz XXMPJBARHZSLJS-HXUWFJFHSA-N 0 0 434.923 4.768 50 0 IJAARN COc1cc(Cl)c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(OC)c1 ZINC000065085160 569102787 /nfs/dbraw/zinc/10/27/87/569102787.db2.gz WBFFHCONDUECEN-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2c(=O)nc(NCc3ccc(F)cc3)c3ccccc32)c(C)c1 ZINC000065101835 569105932 /nfs/dbraw/zinc/10/59/32/569105932.db2.gz OBVBHCGHDBXBAN-UHFFFAOYSA-N 0 0 444.510 4.712 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2C)C1 ZINC000065111249 569106368 /nfs/dbraw/zinc/10/63/68/569106368.db2.gz HDJIDHBDWVEITM-NRFANRHFSA-N 0 0 446.551 4.509 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000065116261 569107259 /nfs/dbraw/zinc/10/72/59/569107259.db2.gz CHAAYEKORUFVJD-UHFFFAOYSA-N 0 0 447.944 4.933 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000065112031 569107969 /nfs/dbraw/zinc/10/79/69/569107969.db2.gz PEVWCBVHUZRMMC-UHFFFAOYSA-N 0 0 425.554 4.566 50 0 IJAARN O=C(NC1CCCCCC1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000065130734 569109294 /nfs/dbraw/zinc/10/92/94/569109294.db2.gz RTTMZDKPSCFKBD-UHFFFAOYSA-N 0 0 445.567 4.854 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc(F)cc1Cl ZINC000065136715 569110269 /nfs/dbraw/zinc/11/02/69/569110269.db2.gz WJGHFJYMAXHADR-HNNXBMFYSA-N 0 0 435.902 4.959 50 0 IJAARN CCn1nccc1-c1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1 ZINC000065137306 569110441 /nfs/dbraw/zinc/11/04/41/569110441.db2.gz XVJAJZSPDZRWDS-HXUWFJFHSA-N 0 0 427.508 4.757 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)c1 ZINC000065153869 569112243 /nfs/dbraw/zinc/11/22/43/569112243.db2.gz VCJUZGMTTKFBFG-UHFFFAOYSA-N 0 0 438.487 4.943 50 0 IJAARN CCCn1c(-c2cccc(C(=O)N3CCN(c4cccc(C)c4)CC3)c2)nc2cccnc21 ZINC000065172844 569113229 /nfs/dbraw/zinc/11/32/29/569113229.db2.gz ASBIKSMAAKBTBM-UHFFFAOYSA-N 0 0 439.563 4.779 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC(COc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000065179805 569113657 /nfs/dbraw/zinc/11/36/57/569113657.db2.gz NXYXVYAZCNUBMD-NTEUORMPSA-N 0 0 432.564 4.644 50 0 IJAARN COc1ccc(-c2noc(C3CCN(CC(=O)Nc4c(C)cccc4Cl)CC3)n2)cc1 ZINC000065184194 569114063 /nfs/dbraw/zinc/11/40/63/569114063.db2.gz LGNKEBCSWHHILI-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4ccc(N(C)C)cc4)c3)n2)cc1 ZINC000065185612 569114330 /nfs/dbraw/zinc/11/43/30/569114330.db2.gz XPKOELBVIHFOTI-UHFFFAOYSA-N 0 0 445.548 4.904 50 0 IJAARN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(Br)cc1 ZINC000065185777 569114588 /nfs/dbraw/zinc/11/45/88/569114588.db2.gz UVIOXKSSBZKBMQ-UHFFFAOYSA-N 0 0 431.315 4.502 50 0 IJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1ccccc1Cl ZINC000065194837 569114841 /nfs/dbraw/zinc/11/48/41/569114841.db2.gz UPSZHIXJRHRYIX-UHFFFAOYSA-N 0 0 426.929 4.853 50 0 IJAARN CSc1ncccc1C(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1 ZINC000065195961 569115597 /nfs/dbraw/zinc/11/55/97/569115597.db2.gz SSZNQNLQUBYKFI-UHFFFAOYSA-N 0 0 426.498 4.651 50 0 IJAARN COc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)no3)s2)cc1OC ZINC000065195988 569115604 /nfs/dbraw/zinc/11/56/04/569115604.db2.gz BBDPHPNQAGIOQG-UHFFFAOYSA-N 0 0 439.468 4.551 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000065211644 569116614 /nfs/dbraw/zinc/11/66/14/569116614.db2.gz YWFZOFOAKPBFNV-UHFFFAOYSA-N 0 0 447.391 4.707 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065219393 569117153 /nfs/dbraw/zinc/11/71/53/569117153.db2.gz ZFNAWQROKSFCGD-UHFFFAOYSA-N 0 0 425.441 4.630 50 0 IJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)[nH]n2)c1 ZINC000065225939 569117840 /nfs/dbraw/zinc/11/78/40/569117840.db2.gz SLUZINMPQJPFDW-UHFFFAOYSA-N 0 0 436.512 4.514 50 0 IJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)NCc1ccccc1C(F)(F)F ZINC000065240851 569120889 /nfs/dbraw/zinc/12/08/89/569120889.db2.gz JXOIFIPEWUPHBC-UHFFFAOYSA-N 0 0 430.455 4.954 50 0 IJAARN CCn1cc(CN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c2cccc(C)c2)c(C)n1 ZINC000036616057 569122733 /nfs/dbraw/zinc/12/27/33/569122733.db2.gz KPYIMCBEBVAZSI-UHFFFAOYSA-N 0 0 442.567 4.834 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000036611661 569123628 /nfs/dbraw/zinc/12/36/28/569123628.db2.gz RWWVOFNNXJUFFF-INIZCTEOSA-N 0 0 430.508 4.546 50 0 IJAARN CCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1OCC ZINC000065257881 569124264 /nfs/dbraw/zinc/12/42/64/569124264.db2.gz KVCDCHCZMPSWMG-UHFFFAOYSA-N 0 0 436.512 4.518 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)c1 ZINC000065258263 569124323 /nfs/dbraw/zinc/12/43/23/569124323.db2.gz UHWYAIIQJOLKGO-UHFFFAOYSA-N 0 0 426.524 4.501 50 0 IJAARN O=S(=O)(NC[C@H](Nc1ccc(F)c(F)c1)c1ccccc1)c1ccc(Cl)s1 ZINC000013131875 569125422 /nfs/dbraw/zinc/12/54/22/569125422.db2.gz NALKSBJIICUNRW-INIZCTEOSA-N 0 0 428.913 4.811 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)c(Cl)c1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524731541 569126660 /nfs/dbraw/zinc/12/66/60/569126660.db2.gz BGHYNASSEVLZIS-JOCHJYFZSA-N 0 0 449.938 4.857 50 0 biogenic IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccn4c(c3)nnc4-c3ccc(Cl)cc3)CC2)c1 ZINC000065296136 569131451 /nfs/dbraw/zinc/13/14/51/569131451.db2.gz DLDMISPHFBMBAR-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN COc1cc(NC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)cc(OC)c1 ZINC000065297685 569131864 /nfs/dbraw/zinc/13/18/64/569131864.db2.gz VSBKGLJPIIHOKG-UHFFFAOYSA-N 0 0 427.526 4.541 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)N[C@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000065301426 569132240 /nfs/dbraw/zinc/13/22/40/569132240.db2.gz ROQXQOWMNROVNE-OAHLLOKOSA-N 0 0 438.597 4.665 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)N[C@@H](C)c3cccc(OC)c3)CC2)n1 ZINC000065301434 569132269 /nfs/dbraw/zinc/13/22/69/569132269.db2.gz BSZBJUVCVBBKJN-HNNXBMFYSA-N 0 0 438.597 4.665 50 0 IJAARN CN(C)c1nc2cc(C(=O)NCc3cc(F)cc(F)c3)sc2n1-c1ccc(F)cc1 ZINC000065306734 569133379 /nfs/dbraw/zinc/13/33/79/569133379.db2.gz LIZOBILCYGUGFI-UHFFFAOYSA-N 0 0 430.455 4.500 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3csc(Nc4cccc(Cl)c4)n3)CC2)cc1 ZINC000036704656 569134251 /nfs/dbraw/zinc/13/42/51/569134251.db2.gz OVWJWYVHJNJWBQ-UHFFFAOYSA-N 0 0 440.956 4.705 50 0 IJAARN Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(CC(C)C)cc3)n2)cc1 ZINC000065320695 569136229 /nfs/dbraw/zinc/13/62/29/569136229.db2.gz SDIWVWANMIBYPU-NRFANRHFSA-N 0 0 425.554 4.769 50 0 IJAARN CCCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322451 569136802 /nfs/dbraw/zinc/13/68/02/569136802.db2.gz QCAUGLLJPBKBJR-UHFFFAOYSA-N 0 0 426.948 4.574 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238861232 569137446 /nfs/dbraw/zinc/13/74/46/569137446.db2.gz KSEHDZIQTFKVJI-CQSZACIVSA-N 0 0 430.224 4.548 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000238923916 569138049 /nfs/dbraw/zinc/13/80/49/569138049.db2.gz QIBNWTPIJPLNAK-DNVJHFABSA-N 0 0 447.000 4.949 50 0 IJAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000003358515 569140276 /nfs/dbraw/zinc/14/02/76/569140276.db2.gz MYIKCOQLYVNQIK-UHFFFAOYSA-N 0 0 445.519 4.526 50 0 IJAARN C[C@H]1S[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)NCc2ccc(F)cc2)C1=O ZINC000037264215 569144111 /nfs/dbraw/zinc/14/41/11/569144111.db2.gz WEAQMVGYKRJHQV-XCLFUZPHSA-N 0 0 440.462 4.514 50 0 IJAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037276654 569145334 /nfs/dbraw/zinc/14/53/34/569145334.db2.gz RYLZIIKXJPRUHE-QGZVFWFLSA-N 0 0 427.976 4.515 50 0 IJAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000037276513 569145373 /nfs/dbraw/zinc/14/53/73/569145373.db2.gz WNRDESZWYMPECB-NRFANRHFSA-N 0 0 441.575 4.885 50 0 IJAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NC(C)C ZINC000037278517 569145491 /nfs/dbraw/zinc/14/54/91/569145491.db2.gz VTEJSZDOGMVAOE-UHFFFAOYSA-N 0 0 425.504 4.832 50 0 IJAARN COC(=O)[C@H](c1ccc(OC)cc1)[C@H]1C=C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000037341447 569148982 /nfs/dbraw/zinc/14/89/82/569148982.db2.gz IBTLBXPTDZXHIU-BOUXLOLZSA-N 0 0 434.319 4.633 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccc(OC)c3OC)C2)cc1OC ZINC000010059058 569152076 /nfs/dbraw/zinc/15/20/76/569152076.db2.gz OZNKAWUUZYZUKR-OAQYLSRUSA-N 0 0 446.503 4.713 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3)C2=O)cc1 ZINC000010059528 569152304 /nfs/dbraw/zinc/15/23/04/569152304.db2.gz LRVVHBFXRGXUJR-RUZDIDTESA-N 0 0 435.907 4.746 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000010059765 569152321 /nfs/dbraw/zinc/15/23/21/569152321.db2.gz SZTCZLOTYUKDDR-VXKWHMMOSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000010060032 569152391 /nfs/dbraw/zinc/15/23/91/569152391.db2.gz RMHAWRCGKOIECZ-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119422 569152665 /nfs/dbraw/zinc/15/26/65/569152665.db2.gz MIYLTUKVHPCOAB-UHFFFAOYSA-N 0 0 440.952 4.906 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119412 569152696 /nfs/dbraw/zinc/15/26/96/569152696.db2.gz IAOUOOIJIDGVKB-UHFFFAOYSA-N 0 0 444.984 4.712 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1Cl ZINC000013323165 569155075 /nfs/dbraw/zinc/15/50/75/569155075.db2.gz YZTWTLBMCYSEGR-UHFFFAOYSA-N 0 0 431.964 4.830 50 0 IJAARN Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 ZINC000013578958 569156016 /nfs/dbraw/zinc/15/60/16/569156016.db2.gz AVDIMUIQYRJPEI-UHFFFAOYSA-N 0 0 433.533 4.908 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1 ZINC000013654680 569156383 /nfs/dbraw/zinc/15/63/83/569156383.db2.gz LZIMPZCSGXQGCR-UHFFFAOYSA-N 0 0 440.546 4.590 50 0 IJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)[C@@H](C)Oc4cccc(F)c4)c3)cn2n1 ZINC000013711463 569156797 /nfs/dbraw/zinc/15/67/97/569156797.db2.gz CJPSFUUCVSDZMC-CYBMUJFWSA-N 0 0 440.862 4.603 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3Cc3ccccc3)ccc21 ZINC000014315537 569158548 /nfs/dbraw/zinc/15/85/48/569158548.db2.gz BKQXSSJHAPZEPT-UHFFFAOYSA-N 0 0 434.923 4.857 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000014480774 569159052 /nfs/dbraw/zinc/15/90/52/569159052.db2.gz AELVVOBWABYZCM-UHFFFAOYSA-N 0 0 444.969 4.624 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)nn2-c2ccccc2Cl)cc1 ZINC000014610080 569159496 /nfs/dbraw/zinc/15/94/96/569159496.db2.gz GAODXIHDYMVEBC-UHFFFAOYSA-N 0 0 444.922 4.795 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(CC)cc4)c3C)c(C)o2)cc1 ZINC000016841251 569163263 /nfs/dbraw/zinc/16/32/63/569163263.db2.gz VMRNKWWYEXQTDW-UHFFFAOYSA-N 0 0 446.507 4.857 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2cccc(F)c2)c1C ZINC000016844387 569163797 /nfs/dbraw/zinc/16/37/97/569163797.db2.gz JJTGMGXALCLVLR-UHFFFAOYSA-N 0 0 426.835 4.689 50 0 IJAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCCc1c[nH]c2ccccc12 ZINC000016848951 569164351 /nfs/dbraw/zinc/16/43/51/569164351.db2.gz BIPMCKGGBDMKJQ-UHFFFAOYSA-N 0 0 433.537 4.560 50 0 IJAARN O=C(NCc1ccccc1COc1ccccc1)C1(OCc2ccccc2)CCOCC1 ZINC000089836635 569165269 /nfs/dbraw/zinc/16/52/69/569165269.db2.gz ZWVOUPNYJBMYFX-UHFFFAOYSA-N 0 0 431.532 4.648 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1cc(-c2cccnc2)on1 ZINC000089851078 569166243 /nfs/dbraw/zinc/16/62/43/569166243.db2.gz FMIJXAQOKLBVCB-UHFFFAOYSA-N 0 0 427.283 4.875 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc(OC)c1OC ZINC000016943471 569166785 /nfs/dbraw/zinc/16/67/85/569166785.db2.gz OPURMDKUFWYIKU-UHFFFAOYSA-N 0 0 446.503 4.558 50 0 IJAARN C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)CCCSc1nc2ccccc2s1 ZINC000089904308 569167026 /nfs/dbraw/zinc/16/70/26/569167026.db2.gz BAHMWNMOKJZLSA-OAHLLOKOSA-N 0 0 438.578 4.966 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC ZINC000016959830 569168124 /nfs/dbraw/zinc/16/81/24/569168124.db2.gz ZRJZZUYXGDDXRY-UHFFFAOYSA-N 0 0 436.533 4.540 50 0 IJAARN Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012006 569170462 /nfs/dbraw/zinc/17/04/62/569170462.db2.gz FRKKKYYYBISQCC-UHFFFAOYSA-N 0 0 433.518 4.668 50 0 IJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000017043564 569171507 /nfs/dbraw/zinc/17/15/07/569171507.db2.gz JPQCIMDWVYHHEA-UHFFFAOYSA-N 0 0 441.361 4.838 50 0 IJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccccc2Br)CCS3)cc1 ZINC000017051288 569171851 /nfs/dbraw/zinc/17/18/51/569171851.db2.gz MJPKWLXQEPDKBN-UHFFFAOYSA-N 0 0 428.355 4.657 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000017112944 569174116 /nfs/dbraw/zinc/17/41/16/569174116.db2.gz JQCSIALTMANMKP-UHFFFAOYSA-N 0 0 435.615 4.646 50 0 IJAARN O=C(CSc1ccc(Br)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000017118668 569174149 /nfs/dbraw/zinc/17/41/49/569174149.db2.gz VCALKWLMJQNPAO-UHFFFAOYSA-N 0 0 425.779 4.543 50 0 IJAARN COc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1OCc1ccccc1Cl ZINC000008985323 569174739 /nfs/dbraw/zinc/17/47/39/569174739.db2.gz QEMWTHUVBDINAA-BKUYFWCQSA-N 0 0 448.931 4.698 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000017155265 569174995 /nfs/dbraw/zinc/17/49/95/569174995.db2.gz MQLLMIFCVCEWRJ-UHFFFAOYSA-N 0 0 448.470 4.563 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000017156360 569175111 /nfs/dbraw/zinc/17/51/11/569175111.db2.gz NOPGYGNJEOMGOT-UHFFFAOYSA-N 0 0 433.363 4.591 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000017155982 569175157 /nfs/dbraw/zinc/17/51/57/569175157.db2.gz IRMSJEZGIIYPNK-UHFFFAOYSA-N 0 0 445.324 4.668 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2CC)cc1 ZINC000017271233 569176842 /nfs/dbraw/zinc/17/68/42/569176842.db2.gz BEEDTAILUDGMGC-UHFFFAOYSA-N 0 0 434.565 4.971 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003039580 569177707 /nfs/dbraw/zinc/17/77/07/569177707.db2.gz OJUGAHABAMHROZ-XLNAKTSKSA-N 0 0 442.799 4.807 50 0 IJAARN CCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002095805 569179270 /nfs/dbraw/zinc/17/92/70/569179270.db2.gz LAFBUGNZZLMBFB-OZXSUGGESA-N 0 0 429.564 4.776 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000002096941 569179319 /nfs/dbraw/zinc/17/93/19/569179319.db2.gz SBAFKRFWYODVML-XMMPIXPASA-N 0 0 441.483 4.598 50 0 biogenic IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000000731780 569180305 /nfs/dbraw/zinc/18/03/05/569180305.db2.gz YNVSCSMKATUJAE-UHFFFAOYSA-N 0 0 445.544 4.688 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccncc2)cc1 ZINC000001474829 569180566 /nfs/dbraw/zinc/18/05/66/569180566.db2.gz PSXMHUDSYFSAJZ-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCCc1ccccc1)nc2-c1cccc(F)c1 ZINC000037359690 569181487 /nfs/dbraw/zinc/18/14/87/569181487.db2.gz YRJKRIUKDLIBIG-UHFFFAOYSA-N 0 0 438.510 4.918 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000002114510 569182308 /nfs/dbraw/zinc/18/23/08/569182308.db2.gz RMLFKCDGCNEORG-UHFFFAOYSA-N 0 0 443.540 4.900 50 0 biogenic IJAARN COCCNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037377504 569185627 /nfs/dbraw/zinc/18/56/27/569185627.db2.gz JTGJWCUFICWRCQ-UHFFFAOYSA-N 0 0 447.301 4.569 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000027222935 569186629 /nfs/dbraw/zinc/18/66/29/569186629.db2.gz AJMKXUROAAPKDW-UHFFFAOYSA-N 0 0 439.519 4.669 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002151981 569187273 /nfs/dbraw/zinc/18/72/73/569187273.db2.gz JVSGGFUSVMNQTN-FQEVSTJZSA-N 0 0 437.492 4.719 50 0 biogenic IJAARN Cc1c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002150462 569187281 /nfs/dbraw/zinc/18/72/81/569187281.db2.gz CDACOWDXVDLDMM-IBGZPJMESA-N 0 0 443.540 4.825 50 0 biogenic IJAARN Cc1ccc2nc(NC(=O)c3c[nH]nc3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2c1 ZINC000252491642 569187582 /nfs/dbraw/zinc/18/75/82/569187582.db2.gz LPBUBXGQIFYYLZ-CQSZACIVSA-N 0 0 441.557 4.695 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002199943 569191625 /nfs/dbraw/zinc/19/16/25/569191625.db2.gz JWRKQWKGJJDAKS-UHFFFAOYSA-N 0 0 429.451 4.608 50 0 IJAARN CC(C)(C)NC(=O)N1CCN(c2nc(-c3cccs3)nc3cc(Cl)ccc32)CC1 ZINC000037382940 569191976 /nfs/dbraw/zinc/19/19/76/569191976.db2.gz GRDWBPQGXQAPMX-UHFFFAOYSA-N 0 0 429.977 4.642 50 0 IJAARN O=C(NCCNc1nc(-c2cccs2)nc2cc(Cl)ccc21)c1cccc(F)c1 ZINC000037383790 569192030 /nfs/dbraw/zinc/19/20/30/569192030.db2.gz XITBZCKWTPDILS-UHFFFAOYSA-N 0 0 426.904 4.993 50 0 IJAARN CC(C)NC(=O)CCN(CCc1ccccc1)c1nc(-c2ccco2)nc2ccccc21 ZINC000037383535 569192034 /nfs/dbraw/zinc/19/20/34/569192034.db2.gz SCXBOHHBAKIHHL-UHFFFAOYSA-N 0 0 428.536 4.854 50 0 IJAARN COc1cccc(C(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccco3)c2)c1 ZINC000037384994 569192222 /nfs/dbraw/zinc/19/22/22/569192222.db2.gz ZOQLSWXLLJRWMQ-UHFFFAOYSA-N 0 0 432.480 4.823 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)nnc1C1CC1 ZINC000007618309 569192634 /nfs/dbraw/zinc/19/26/34/569192634.db2.gz BCBXLQHLIOOPOT-UHFFFAOYSA-N 0 0 426.561 4.951 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)CC(C)(C)C)C(C)C)c2)cc1 ZINC000037400506 569194940 /nfs/dbraw/zinc/19/49/40/569194940.db2.gz SDOLBQRGTNQNMK-UHFFFAOYSA-N 0 0 433.570 4.636 50 0 IJAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1 ZINC000037400972 569195048 /nfs/dbraw/zinc/19/50/48/569195048.db2.gz MWXIRRQLZWXTIC-UHFFFAOYSA-N 0 0 445.487 4.536 50 0 IJAARN CC(C)NC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000037422997 569195534 /nfs/dbraw/zinc/19/55/34/569195534.db2.gz CZMMIFRFJBQXMT-UHFFFAOYSA-N 0 0 442.940 4.575 50 0 IJAARN CC(C)NC(=O)[C@@H]1CCCCN1C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000037437183 569196239 /nfs/dbraw/zinc/19/62/39/569196239.db2.gz GKXOVESKKZYPTF-HNNXBMFYSA-N 0 0 441.384 4.713 50 0 IJAARN CC(C)NC(=O)[C@H]1CCCCN1C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000037437187 569196257 /nfs/dbraw/zinc/19/62/57/569196257.db2.gz GKXOVESKKZYPTF-OAHLLOKOSA-N 0 0 441.384 4.713 50 0 IJAARN COCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037439076 569196361 /nfs/dbraw/zinc/19/63/61/569196361.db2.gz NBIJWSYWCZVVME-GOSISDBHSA-N 0 0 440.849 4.527 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)C3CCCC3)C2)cc1OC ZINC000037440251 569196571 /nfs/dbraw/zinc/19/65/71/569196571.db2.gz QBWFPJQVKLNOSA-OAQYLSRUSA-N 0 0 440.515 4.555 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C(=O)NC(C)(C)C)c1 ZINC000037441278 569196717 /nfs/dbraw/zinc/19/67/17/569196717.db2.gz GAKPYLLYPRGSRT-HXUWFJFHSA-N 0 0 429.948 4.852 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441348 569196835 /nfs/dbraw/zinc/19/68/35/569196835.db2.gz ONOIQOCLQYSCDM-LJQANCHMSA-N 0 0 437.437 4.958 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](N[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664635 569197184 /nfs/dbraw/zinc/19/71/84/569197184.db2.gz MNWKOVXZYAPSDN-NLFFAJNJSA-N 0 0 425.536 4.915 50 0 IJAARN O=C(NCc1cccnc1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000037542564 569199398 /nfs/dbraw/zinc/19/93/98/569199398.db2.gz ZEHUQSCBUCGEPK-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC[C@@H]3CCCO3)c2Oc2cccc(C)c2)cc1 ZINC000037546966 569199845 /nfs/dbraw/zinc/19/98/45/569199845.db2.gz IRPOHYSTCBLOIZ-QHCPKHFHSA-N 0 0 449.551 4.518 50 0 IJAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000037557015 569200684 /nfs/dbraw/zinc/20/06/84/569200684.db2.gz TWMSWIRZKGZATH-QHCPKHFHSA-N 0 0 448.588 4.741 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037572226 569201196 /nfs/dbraw/zinc/20/11/96/569201196.db2.gz YKDJFTRBGVVCOW-UHFFFAOYSA-N 0 0 442.531 4.825 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000037601752 569202531 /nfs/dbraw/zinc/20/25/31/569202531.db2.gz IYRTUZCBFWDWSB-CLJLJLNGSA-N 0 0 448.607 4.809 50 0 IJAARN CC(C)CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 ZINC000037604724 569202823 /nfs/dbraw/zinc/20/28/23/569202823.db2.gz OIIDDNLUWUNOSH-CPJSRVTESA-N 0 0 436.596 4.746 50 0 IJAARN C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)(C)C)CC2)C(=O)N1CCCC1 ZINC000037604045 569202949 /nfs/dbraw/zinc/20/29/49/569202949.db2.gz QREFYFWFFWGDKM-CYFREDJKSA-N 0 0 434.580 4.597 50 0 IJAARN C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000195568262 569204373 /nfs/dbraw/zinc/20/43/73/569204373.db2.gz LNMFVVSPTMXWJC-KEYYUXOJSA-N 0 0 430.010 4.851 50 0 IJAARN COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000066091737 569205818 /nfs/dbraw/zinc/20/58/18/569205818.db2.gz HFUODYSENTUUDB-WOJBJXKFSA-N 0 0 433.487 4.560 50 0 IJAARN COc1ccc(OC)c(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c1 ZINC000252669701 569209837 /nfs/dbraw/zinc/20/98/37/569209837.db2.gz IKMFXDYWGRUHLL-UHFFFAOYSA-N 0 0 440.524 4.655 50 0 IJAARN CC(C)(C)n1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)csc1=Nc1ccccc1 ZINC000252671750 569209999 /nfs/dbraw/zinc/20/99/99/569209999.db2.gz OCUCKWVMWFHAPH-UHFFFAOYSA-N 0 0 441.622 4.989 50 0 IJAARN Cc1ccc(OCCCOc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2)cc1 ZINC000252673350 569210174 /nfs/dbraw/zinc/21/01/74/569210174.db2.gz RBHAGECMMAMVDH-UHFFFAOYSA-N 0 0 442.540 4.613 50 0 IJAARN Cc1cccc(OCCCOc2ccccc2C=c2sc3nc4ccccc4n3c2=O)c1 ZINC000252675840 569210281 /nfs/dbraw/zinc/21/02/81/569210281.db2.gz VFWFYIXXUXWPNS-UHFFFAOYSA-N 0 0 442.540 4.613 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002690547 569212608 /nfs/dbraw/zinc/21/26/08/569212608.db2.gz RMHNZLSMSUWBSH-UHFFFAOYSA-N 0 0 439.511 4.923 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000003015278 569213095 /nfs/dbraw/zinc/21/30/95/569213095.db2.gz QUGHPNPGQGYEQV-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN COc1cccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2F)c1 ZINC000002241814 569213630 /nfs/dbraw/zinc/21/36/30/569213630.db2.gz JIXAZOKNEJGLEI-UHFFFAOYSA-N 0 0 443.478 4.916 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1c1nccs1 ZINC000002249994 569214909 /nfs/dbraw/zinc/21/49/09/569214909.db2.gz VBDXNUGEJIESGP-MRXNPFEDSA-N 0 0 439.290 4.762 50 0 IJAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2F)cc1 ZINC000027496071 569215665 /nfs/dbraw/zinc/21/56/65/569215665.db2.gz PDQFMOUYNJOJAL-UHFFFAOYSA-N 0 0 430.479 4.857 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000002265651 569216197 /nfs/dbraw/zinc/21/61/97/569216197.db2.gz FUMIWZBOAWRZDW-NRFANRHFSA-N 0 0 449.503 4.591 50 0 IJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc1c2C ZINC000015955314 569256885 /nfs/dbraw/zinc/25/68/85/569256885.db2.gz BZHNLONGKSMSHE-HFJWLAOPSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN CCOC(=O)[C@]1(Cc2ccccc2)C=CN(C(=O)c2ccccc2)[C@H]2[C@@H]1C2(Cl)Cl ZINC000019908727 569257100 /nfs/dbraw/zinc/25/71/00/569257100.db2.gz RLEVEBIKLGSQGM-IPJJNNNSSA-N 0 0 430.331 4.621 50 0 IJAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2cc(OC)ccc2O[C@@H]3c2cccs2)cc1 ZINC000019928336 569257344 /nfs/dbraw/zinc/25/73/44/569257344.db2.gz WEQZOHLFYLWVJN-DHIUTWEWSA-N 0 0 444.516 4.917 50 0 IJAARN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000253383321 569264161 /nfs/dbraw/zinc/26/41/61/569264161.db2.gz LEHDGEHPOHUFBQ-GSTLAZBSSA-N 0 0 448.522 4.639 50 0 IJAARN O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000253397364 569264708 /nfs/dbraw/zinc/26/47/08/569264708.db2.gz FQDGDYHDHKBVAP-IBGZPJMESA-N 0 0 425.497 4.813 50 0 IJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N1CCCC[C@H]1c1cccnc1 ZINC000253407087 569265472 /nfs/dbraw/zinc/26/54/72/569265472.db2.gz JNKPRXKJGSDWHE-DEOSSOPVSA-N 0 0 440.499 4.988 50 0 biogenic IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002308457 569271928 /nfs/dbraw/zinc/27/19/28/569271928.db2.gz KHNHWZMUOWMGQP-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1cccc(C)c1NC1=C(Cl)C(=O)O[C@H]1OC(=O)c1ccccc1Br ZINC000027572342 569273692 /nfs/dbraw/zinc/27/36/92/569273692.db2.gz BWCAUYOIRRWEGO-LJQANCHMSA-N 0 0 436.689 4.668 50 0 IJAARN Cc1ccc(-c2noc(CN(Cc3ccco3)Cc3ccc(C(=O)NC4CC4)cc3)n2)cc1 ZINC000027576086 569273806 /nfs/dbraw/zinc/27/38/06/569273806.db2.gz SFDMFNCDULLGHS-UHFFFAOYSA-N 0 0 442.519 4.733 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002338968 569274903 /nfs/dbraw/zinc/27/49/03/569274903.db2.gz OGTLQJPMDZUTDU-UHFFFAOYSA-N 0 0 443.478 4.916 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)cc3)c2NC(=O)c2ccccc2)cc1 ZINC000002346816 569281083 /nfs/dbraw/zinc/28/10/83/569281083.db2.gz HKKDTDSTNUZYDX-UHFFFAOYSA-N 0 0 425.488 4.777 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000253472222 569282693 /nfs/dbraw/zinc/28/26/93/569282693.db2.gz KKMHRUXJWQQSRN-NRFANRHFSA-N 0 0 428.897 4.624 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533890 569284064 /nfs/dbraw/zinc/28/40/64/569284064.db2.gz SDHHPVPFUVQWKY-LLKNTXDZSA-N 0 0 428.569 4.938 50 0 IJAARN COCCn1cc(CCC(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)c2ccccc21 ZINC000252497081 569288016 /nfs/dbraw/zinc/28/80/16/569288016.db2.gz PYMVVTNTBPRNBZ-DEOSSOPVSA-N 0 0 445.563 4.904 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(c2ccccc2)CCOCC1 ZINC000252506957 569288068 /nfs/dbraw/zinc/28/80/68/569288068.db2.gz WDRGCVFTBWWAKA-DEOSSOPVSA-N 0 0 425.532 4.711 50 0 IJAARN Cc1cccc(NC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002366473 569288477 /nfs/dbraw/zinc/28/84/77/569288477.db2.gz UCVLVJBHLVRKOT-UHFFFAOYSA-N 0 0 425.467 4.915 50 0 IJAARN COc1ccc(C2(C(=O)N[C@H](c3nc4ccccc4[nH]3)c3ccccc3)CCOCC2)cc1 ZINC000253406206 569289008 /nfs/dbraw/zinc/28/90/08/569289008.db2.gz ITQABRVTPCGRGK-DEOSSOPVSA-N 0 0 441.531 4.526 50 0 IJAARN CCN(CC)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002374535 569289316 /nfs/dbraw/zinc/28/93/16/569289316.db2.gz ZAXCKAWIQRKBIH-UHFFFAOYSA-N 0 0 444.583 4.778 50 0 IJAARN Nc1nc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)nc(Nc2ccccc2)n1 ZINC000009127209 569293950 /nfs/dbraw/zinc/29/39/50/569293950.db2.gz DLEJKVRUXODWKB-QGOAFFKASA-N 0 0 447.495 4.682 50 0 IJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000027755617 569296775 /nfs/dbraw/zinc/29/67/75/569296775.db2.gz RZPSHPQYMZMWHA-GFCCVEGCSA-N 0 0 444.361 4.631 50 0 IJAARN O=C(CCC(=O)Nc1cccc(Br)c1)Nc1nnc(C2CCCCC2)s1 ZINC000002393359 569298001 /nfs/dbraw/zinc/29/80/01/569298001.db2.gz SBPSEGPFZKOLNU-UHFFFAOYSA-N 0 0 437.363 4.706 50 0 IJAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NC[C@@H](C)O)n1 ZINC000002402744 569299739 /nfs/dbraw/zinc/29/97/39/569299739.db2.gz UINUNSHWJNARAH-LLVKDONJSA-N 0 0 432.615 4.729 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1 ZINC000002403260 569299787 /nfs/dbraw/zinc/29/97/87/569299787.db2.gz DQUGIDXNVHOFID-HXUWFJFHSA-N 0 0 447.516 4.664 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000002404424 569299983 /nfs/dbraw/zinc/29/99/83/569299983.db2.gz XKETUDOVGBFJGT-PKTZIBPZSA-N 0 0 439.519 4.614 50 0 IJAARN COc1ccc(-c2c(=O)c3ccc(OCC(=O)OC(C)C)cc3oc2C(F)(F)F)cc1 ZINC000002407568 569300387 /nfs/dbraw/zinc/30/03/87/569300387.db2.gz VZUHYTXBKAJCKX-UHFFFAOYSA-N 0 0 436.382 4.818 50 0 biogenic IJAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1OC ZINC000002420154 569301883 /nfs/dbraw/zinc/30/18/83/569301883.db2.gz WKQUSGMWGRKZFI-LJQANCHMSA-N 0 0 448.500 4.633 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002423279 569302197 /nfs/dbraw/zinc/30/21/97/569302197.db2.gz OFLRGKAEBZKDBM-MOPGFXCFSA-N 0 0 425.920 4.681 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)cc1 ZINC000002431726 569303389 /nfs/dbraw/zinc/30/33/89/569303389.db2.gz XERPSOLIGHQRGR-HSZRJFAPSA-N 0 0 447.437 4.868 50 0 IJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002441480 569304167 /nfs/dbraw/zinc/30/41/67/569304167.db2.gz DBWHVAMVDMFRSI-FQEVSTJZSA-N 0 0 449.846 4.571 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000002447746 569304492 /nfs/dbraw/zinc/30/44/92/569304492.db2.gz XRHUYSIAVLMCHW-UHFFFAOYSA-N 0 0 434.521 4.716 50 0 IJAARN CCOc1cc(C(=O)Nc2nn(C)c3nc4ccc(C)cc4cc23)cc(OCC)c1OCC ZINC000002449564 569304697 /nfs/dbraw/zinc/30/46/97/569304697.db2.gz KNBCJLSBFJDEOU-UHFFFAOYSA-N 0 0 448.523 4.878 50 0 IJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1cccc2ccccc21 ZINC000002453682 569306147 /nfs/dbraw/zinc/30/61/47/569306147.db2.gz RPLWEIOSFLNDQM-UHFFFAOYSA-N 0 0 425.517 4.759 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O ZINC000013005024 569306320 /nfs/dbraw/zinc/30/63/20/569306320.db2.gz CUYIQPWBHQBIAG-LJQANCHMSA-N 0 0 427.715 4.883 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000013017388 569307165 /nfs/dbraw/zinc/30/71/65/569307165.db2.gz JOKZWPZCVFSKOU-FQEVSTJZSA-N 0 0 433.533 4.768 50 0 IJAARN Cc1ccc(SCC(=O)OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000013059151 569308502 /nfs/dbraw/zinc/30/85/02/569308502.db2.gz SBLNTJOLPAZLPG-UHFFFAOYSA-N 0 0 434.489 4.671 50 0 IJAARN CC1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000013060601 569308516 /nfs/dbraw/zinc/30/85/16/569308516.db2.gz SKYATIKWSZWLKC-MRXNPFEDSA-N 0 0 441.862 4.670 50 0 IJAARN C[C@@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013071035 569309030 /nfs/dbraw/zinc/30/90/30/569309030.db2.gz XWTRALVMVCVGDL-CQSZACIVSA-N 0 0 446.475 4.818 50 0 IJAARN Cc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3Br)o2)n1C ZINC000013108808 569310244 /nfs/dbraw/zinc/31/02/44/569310244.db2.gz MCHZXCRZRQQFLR-UHFFFAOYSA-N 0 0 442.342 4.895 50 0 IJAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCCC3 ZINC000013115875 569310909 /nfs/dbraw/zinc/31/09/09/569310909.db2.gz LCHHCYXGFMRKBH-CQSZACIVSA-N 0 0 428.579 4.678 50 0 IJAARN CCN(C(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1ccccc1 ZINC000013137907 569311607 /nfs/dbraw/zinc/31/16/07/569311607.db2.gz OMZAOZQRBULFPZ-HNNXBMFYSA-N 0 0 441.622 4.890 50 0 IJAARN CCC(C)(C)NC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355457 569313532 /nfs/dbraw/zinc/31/35/32/569313532.db2.gz QZRKVJVKZOXPOF-UHFFFAOYSA-N 0 0 436.577 4.751 50 0 IJAARN O=C(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355373 569313578 /nfs/dbraw/zinc/31/35/78/569313578.db2.gz WTCSSAQGZGFYAF-UHFFFAOYSA-N 0 0 448.588 4.895 50 0 IJAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000013366268 569314378 /nfs/dbraw/zinc/31/43/78/569314378.db2.gz PWUCGMBVMALUJI-MHZLTWQESA-N 0 0 438.571 4.735 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)N(CCn1ccnc1)Cc1ccccc1Br ZINC000328589828 569316789 /nfs/dbraw/zinc/31/67/89/569316789.db2.gz IWOHRKGVSHOURP-UHFFFAOYSA-N 0 0 432.749 4.571 50 0 IJAARN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nnc(NCc2ccco2)s1 ZINC000078953728 569320443 /nfs/dbraw/zinc/32/04/43/569320443.db2.gz PSXRESYUSMCAFT-UHFFFAOYSA-N 0 0 442.522 4.867 50 0 IJAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000013940163 569321696 /nfs/dbraw/zinc/32/16/96/569321696.db2.gz TVHYSZJWSAIDSR-UHFFFAOYSA-N 0 0 440.348 4.619 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)cc1OC ZINC000027924723 569321730 /nfs/dbraw/zinc/32/17/30/569321730.db2.gz VTMJBCNDKLHKHJ-UHFFFAOYSA-N 0 0 430.302 4.521 50 0 IJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccco1)CC(=O)O3 ZINC000079192334 569328100 /nfs/dbraw/zinc/32/81/00/569328100.db2.gz RWCVMLCYBFWAQS-KQRAEAMJSA-N 0 0 438.476 4.908 50 0 IJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1cccnc1)CC(=O)O3 ZINC000079193370 569328287 /nfs/dbraw/zinc/32/82/87/569328287.db2.gz NQPLFOMDCWKAHF-WIUCGSSGSA-N 0 0 449.503 4.710 50 0 IJAARN COc1ccc2nc(NC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)sc2c1 ZINC000020115861 569335013 /nfs/dbraw/zinc/33/50/13/569335013.db2.gz CPENIRGGFSOOQZ-PMACEKPBSA-N 0 0 449.557 4.916 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1cccs1 ZINC000020134030 569335542 /nfs/dbraw/zinc/33/55/42/569335542.db2.gz YZIOQLXJIUEKFW-GOSISDBHSA-N 0 0 426.567 4.792 50 0 IJAARN CCOC(=O)CSC1=N/C(=C\c2ccccc2C)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020151961 569336482 /nfs/dbraw/zinc/33/64/82/569336482.db2.gz YUOWQVGPUXAUJZ-WQRHYEAKSA-N 0 0 444.940 4.697 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390828553 569354016 /nfs/dbraw/zinc/35/40/16/569354016.db2.gz RWRNHKSATMYHJO-UHFFFAOYSA-N 0 0 432.833 4.891 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4s3)CC2)cc1 ZINC000020178740 569354621 /nfs/dbraw/zinc/35/46/21/569354621.db2.gz LHWPDKBVUFQZHT-UHFFFAOYSA-N 0 0 429.545 4.923 50 0 IJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCc4ccccc4)cc3N(C)C2=O)cc1 ZINC000020179643 569354907 /nfs/dbraw/zinc/35/49/07/569354907.db2.gz ACHDDTIRUOEFSO-JLPGSUDCSA-N 0 0 444.556 4.777 50 0 biogenic IJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCCc3ccccc3)c2)C(=O)N1 ZINC000020182205 569355413 /nfs/dbraw/zinc/35/54/13/569355413.db2.gz PHDDLFQRNOGUQM-YIXXDRMTSA-N 0 0 441.531 4.737 50 0 IJAARN CC(C)c1ccc(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000020212450 569356321 /nfs/dbraw/zinc/35/63/21/569356321.db2.gz DIPDPSZYHYKSSL-UHFFFAOYSA-N 0 0 432.568 4.554 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)[C@@H]1C ZINC000020240656 569357790 /nfs/dbraw/zinc/35/77/90/569357790.db2.gz PMRQHTRWENQZKG-HBUWYVDXSA-N 0 0 443.487 4.827 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCCSC1CCCCC1 ZINC000020241534 569358054 /nfs/dbraw/zinc/35/80/54/569358054.db2.gz XJNJHQPMGXQCBF-SSEXGKCCSA-N 0 0 448.654 4.779 50 0 IJAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242784 569358309 /nfs/dbraw/zinc/35/83/09/569358309.db2.gz XAAHDPRFNHAOMA-JGCGQSQUSA-N 0 0 446.572 4.790 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)CCS2)N1CCN(Cc2ccccc2)CC1 ZINC000020355094 569361227 /nfs/dbraw/zinc/36/12/27/569361227.db2.gz XILDSNZMNLBDPN-UHFFFAOYSA-N 0 0 443.616 4.757 50 0 IJAARN Cc1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc(Br)cc3)C2=O)cc1 ZINC000020367098 569362114 /nfs/dbraw/zinc/36/21/14/569362114.db2.gz PGLRVPUYJJAAJS-MOSHPQCFSA-N 0 0 436.309 4.641 50 0 IJAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1 ZINC000020380604 569362513 /nfs/dbraw/zinc/36/25/13/569362513.db2.gz MTPCGKZAVFRHRK-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@H](C)C3)c2cc1OC ZINC000020381278 569362641 /nfs/dbraw/zinc/36/26/41/569362641.db2.gz OXXSIOGALLVOFM-KRWDZBQOSA-N 0 0 440.565 4.630 50 0 IJAARN Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC000095399520 569363630 /nfs/dbraw/zinc/36/36/30/569363630.db2.gz DLQCIRWWEBPJIP-GUYCJALGSA-N 0 0 434.581 4.557 50 0 IJAARN O=C(Nc1ccc(F)cc1F)c1cccnc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000020404845 569363660 /nfs/dbraw/zinc/36/36/60/569363660.db2.gz OYHFUZQTWKYMPK-UHFFFAOYSA-N 0 0 428.870 4.592 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)NCc2ccc(C)cc2)c2nc(C)cc(C)c12 ZINC000020437583 569365615 /nfs/dbraw/zinc/36/56/15/569365615.db2.gz ODRLENMSWNEIOV-UHFFFAOYSA-N 0 0 428.536 4.739 50 0 IJAARN O=C(NCCc1csc(-c2ccccc2Cl)n1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000095443908 569366888 /nfs/dbraw/zinc/36/68/88/569366888.db2.gz SVGYZGBZAPFOMH-ZWKOTPCHSA-N 0 0 446.016 4.551 50 0 IJAARN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000095458880 569369262 /nfs/dbraw/zinc/36/92/62/569369262.db2.gz XZJCXHHXDLNVCB-QVKFZJNVSA-N 0 0 428.579 4.950 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000095462410 569370144 /nfs/dbraw/zinc/37/01/44/569370144.db2.gz HGZOSZZBUUREDF-MRXNPFEDSA-N 0 0 443.263 4.691 50 0 IJAARN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000095467089 569371023 /nfs/dbraw/zinc/37/10/23/569371023.db2.gz GDVZCYMFEGEUEI-JOCHJYFZSA-N 0 0 435.568 4.950 50 0 IJAARN O=C(C[C@H]1CCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1 ZINC000095467628 569371040 /nfs/dbraw/zinc/37/10/40/569371040.db2.gz KYZPWQQTWNBUIL-QGZVFWFLSA-N 0 0 430.405 4.938 50 0 IJAARN CC(=O)OCCc1cccc(NCc2cn(-c3ccc(Br)cc3)nc2C)c1 ZINC000095467781 569371197 /nfs/dbraw/zinc/37/11/97/569371197.db2.gz PNVJCVLJZDOXQM-UHFFFAOYSA-N 0 0 428.330 4.661 50 0 IJAARN NC(=O)NCc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000095467766 569371211 /nfs/dbraw/zinc/37/12/11/569371211.db2.gz UCSLRHWDLXLQLL-UHFFFAOYSA-N 0 0 440.341 4.809 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc(OC)c1O ZINC000095478907 569373715 /nfs/dbraw/zinc/37/37/15/569373715.db2.gz ZGRKTAOMOHUYRX-LJQANCHMSA-N 0 0 431.901 4.673 50 0 IJAARN COc1cc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000095480298 569373950 /nfs/dbraw/zinc/37/39/50/569373950.db2.gz PZXYUATUFSRMAE-KRWDZBQOSA-N 0 0 428.916 4.980 50 0 IJAARN COc1cccc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4o3)no2)c1 ZINC000095481922 569374173 /nfs/dbraw/zinc/37/41/73/569374173.db2.gz HDMVDHSSSSOTBC-UHFFFAOYSA-N 0 0 444.900 4.736 50 0 IJAARN CCCn1ccc2ccc(NC(=O)N(C)[C@H]3CS(=O)(=O)c4ccc(Cl)cc43)cc21 ZINC000095942670 569375563 /nfs/dbraw/zinc/37/55/63/569375563.db2.gz HOFOLILEPXEWKA-IBGZPJMESA-N 0 0 431.945 4.697 50 0 IJAARN CN(c1ccc(C(=O)Nc2nncs2)cn1)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095988740 569378068 /nfs/dbraw/zinc/37/80/68/569378068.db2.gz SQGACVKCRVWJJH-IAGOWNOFSA-N 0 0 447.486 4.977 50 0 IJAARN O=C(CN1CCCCC1)Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 ZINC000096012504 569380072 /nfs/dbraw/zinc/38/00/72/569380072.db2.gz BWMYSHPQZAJWHE-UHFFFAOYSA-N 0 0 435.749 4.758 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116682 569383774 /nfs/dbraw/zinc/38/37/74/569383774.db2.gz NZFNCZMJHHAUTC-KSSFIOAISA-N 0 0 449.960 4.713 50 0 IJAARN CCn1cc(Cl)c(C(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183708 569386044 /nfs/dbraw/zinc/38/60/44/569386044.db2.gz CRFBNEQIPPXMEZ-XMMPIXPASA-N 0 0 436.987 4.721 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000096221047 569386767 /nfs/dbraw/zinc/38/67/67/569386767.db2.gz QSOHFEMCGPOYOU-RPWUZVMVSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c(OC)c1 ZINC000096221178 569386908 /nfs/dbraw/zinc/38/69/08/569386908.db2.gz NBDRTDKZCYFVDR-LJQANCHMSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1OC ZINC000096222763 569387132 /nfs/dbraw/zinc/38/71/32/569387132.db2.gz YNQKSEQWHUMSCZ-SFHVURJKSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCCc4c5cc(Cl)ccc5[nH]c43)ccc12 ZINC000096222677 569387248 /nfs/dbraw/zinc/38/72/48/569387248.db2.gz UHTXFHNDHGCPCF-HXUWFJFHSA-N 0 0 436.895 4.809 50 0 biogenic IJAARN Cc1ccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)cc1 ZINC000096277174 569388771 /nfs/dbraw/zinc/38/87/71/569388771.db2.gz CSYCDJFDXJQLJJ-HSZRJFAPSA-N 0 0 427.504 4.662 50 0 IJAARN COCCNC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1cccc(C)c1 ZINC000096278867 569389226 /nfs/dbraw/zinc/38/92/26/569389226.db2.gz VTJRYDCUODFNPX-UHFFFAOYSA-N 0 0 435.568 4.749 50 0 IJAARN COc1ccc(C(=O)COc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1 ZINC000096281005 569389806 /nfs/dbraw/zinc/38/98/06/569389806.db2.gz PYWKEICWNOKJRF-UHFFFAOYSA-N 0 0 446.459 4.691 50 0 IJAARN COc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Br)cc1 ZINC000096286802 569390170 /nfs/dbraw/zinc/39/01/70/569390170.db2.gz QOYFQELODHKKNO-MRXNPFEDSA-N 0 0 443.160 4.999 50 0 IJAARN CC(C)C(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000096289822 569390763 /nfs/dbraw/zinc/39/07/63/569390763.db2.gz QYHYXWIPEVVGCD-UHFFFAOYSA-N 0 0 439.936 4.641 50 0 IJAARN CCCCN(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000096292955 569391476 /nfs/dbraw/zinc/39/14/76/569391476.db2.gz SSIDMFREAZPVMU-UHFFFAOYSA-N 0 0 443.931 4.892 50 0 IJAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NCc2ccccn2)c1 ZINC000096294298 569391757 /nfs/dbraw/zinc/39/17/57/569391757.db2.gz JBCLOGULISFBPK-UHFFFAOYSA-N 0 0 439.346 4.954 50 0 IJAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NCc2ccncc2)c1 ZINC000096294263 569391789 /nfs/dbraw/zinc/39/17/89/569391789.db2.gz ORNPLICEKCFNIT-UHFFFAOYSA-N 0 0 439.346 4.954 50 0 IJAARN O=C(/C=C\c1ccc(I)o1)N[C@H](c1cccs1)c1ccccc1 ZINC000096297707 569391863 /nfs/dbraw/zinc/39/18/63/569391863.db2.gz VFAQKGVNNYISCH-FYGXRCCRSA-N 0 0 435.286 4.865 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096317296 569393274 /nfs/dbraw/zinc/39/32/74/569393274.db2.gz ZFEWRFWCUBGMSP-LJQANCHMSA-N 0 0 432.568 4.753 50 0 IJAARN Cc1nc(C2CC2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317350 569393388 /nfs/dbraw/zinc/39/33/88/569393388.db2.gz CGJFZFXOSBDHLV-UHFFFAOYSA-N 0 0 444.982 4.740 50 0 IJAARN CC[C@H]1Cn2c(C(=O)N3CCN(c4ccccc4F)CC3)cc3c2c(ccc3Cl)O1 ZINC000096319755 569393946 /nfs/dbraw/zinc/39/39/46/569393946.db2.gz IPFMBUMUGKMOQU-HNNXBMFYSA-N 0 0 427.907 4.567 50 0 IJAARN CCOc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(C)c(C)c3)o2)n1 ZINC000096322803 569394892 /nfs/dbraw/zinc/39/48/92/569394892.db2.gz AOMPIALNRFAZPZ-UHFFFAOYSA-N 0 0 438.505 4.986 50 0 IJAARN COc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323775 569395470 /nfs/dbraw/zinc/39/54/70/569395470.db2.gz JDSGOTFJMBTKCF-UHFFFAOYSA-N 0 0 439.928 4.710 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)cc1F ZINC000096323829 569395482 /nfs/dbraw/zinc/39/54/82/569395482.db2.gz CCUCFJMGRISICT-UHFFFAOYSA-N 0 0 425.464 4.635 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCc2c(sc3nc(-c4ccccc4)nn32)C1 ZINC000096323892 569395624 /nfs/dbraw/zinc/39/56/24/569395624.db2.gz KNQRBNJPDWNLHW-UHFFFAOYSA-N 0 0 439.928 4.710 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000096324518 569395959 /nfs/dbraw/zinc/39/59/59/569395959.db2.gz KISDSMGZUYRVFT-UHFFFAOYSA-N 0 0 440.544 4.581 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000096324503 569395966 /nfs/dbraw/zinc/39/59/66/569395966.db2.gz KJJFVGUBANFICZ-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CSc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)cc1 ZINC000096372468 569397853 /nfs/dbraw/zinc/39/78/53/569397853.db2.gz GELNMTDMHQBXGA-UHFFFAOYSA-N 0 0 434.565 4.799 50 0 IJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000096386169 569398453 /nfs/dbraw/zinc/39/84/53/569398453.db2.gz MICUODFTJYIRRM-UHFFFAOYSA-N 0 0 436.559 4.869 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000096386633 569398633 /nfs/dbraw/zinc/39/86/33/569398633.db2.gz DBBXNYMNTJYRRQ-UHFFFAOYSA-N 0 0 425.945 4.994 50 0 IJAARN CCCn1cc(C2=CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccnc21 ZINC000096386507 569398688 /nfs/dbraw/zinc/39/86/88/569398688.db2.gz ZKPRJMDYFILGPW-UHFFFAOYSA-N 0 0 433.936 4.717 50 0 IJAARN CCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000096399312 569399936 /nfs/dbraw/zinc/39/99/36/569399936.db2.gz WOPMFFWLCKJTKA-UHFFFAOYSA-N 0 0 441.000 4.996 50 0 IJAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)N=C1c1ccc(C)cc1 ZINC000096399306 569399944 /nfs/dbraw/zinc/39/99/44/569399944.db2.gz MKSXTBBMJNIRFG-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3c(F)cccc3F)cc2s1 ZINC000096399715 569400307 /nfs/dbraw/zinc/40/03/07/569400307.db2.gz XNBXQMPGCOFAPR-UHFFFAOYSA-N 0 0 425.482 4.648 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000021811679 569400911 /nfs/dbraw/zinc/40/09/11/569400911.db2.gz HVVGUEDJAADMON-PGKGOOGGSA-N 0 0 433.552 4.903 50 0 IJAARN Cc1ccccc1CN(Cc1nc(C(=O)NC[C@H]2CCCO2)co1)[C@@H](C)c1ccccc1 ZINC000096481249 569400926 /nfs/dbraw/zinc/40/09/26/569400926.db2.gz VEINXIKAUHASHX-NZQKXSOJSA-N 0 0 433.552 4.655 50 0 IJAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)COc2ccccc2)cc1 ZINC000096592172 569401947 /nfs/dbraw/zinc/40/19/47/569401947.db2.gz NCEYCGUOSLKUQB-QFIPXVFZSA-N 0 0 434.458 4.794 50 0 IJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(OC(C)C)cc5)no4)c3CO2)cc1 ZINC000097078104 569403135 /nfs/dbraw/zinc/40/31/35/569403135.db2.gz QBOYPQBNCUKUOP-NRFANRHFSA-N 0 0 432.480 4.667 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3cc4nc(-c5ccccc5)oc4nc3C)n(C)n2)c1 ZINC000225626477 569405934 /nfs/dbraw/zinc/40/59/34/569405934.db2.gz LNHPEJKFVAMDJM-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN COc1cccc(C(=O)Nc2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)c1 ZINC000028049204 569406745 /nfs/dbraw/zinc/40/67/45/569406745.db2.gz ZQDNPJUUYZXUTC-UHFFFAOYSA-N 0 0 425.554 4.563 50 0 IJAARN CCOc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)cc1OC ZINC000028293818 569409518 /nfs/dbraw/zinc/40/95/18/569409518.db2.gz BGEYQEHFSSIOIN-UHFFFAOYSA-N 0 0 434.315 4.627 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Cl)cc1 ZINC000028312898 569409780 /nfs/dbraw/zinc/40/97/80/569409780.db2.gz QIHWYMDETVTGLQ-UDWIEESQSA-N 0 0 434.879 4.787 50 0 IJAARN Cc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000028493458 569410014 /nfs/dbraw/zinc/41/00/14/569410014.db2.gz WAPVKJHOTGXWKG-UHFFFAOYSA-N 0 0 438.477 4.956 50 0 IJAARN CC1(C)OC(=O)C(Cc2ccc(F)cc2Cl)(Cc2ccc(F)cc2Cl)C(=O)O1 ZINC000002615986 569410172 /nfs/dbraw/zinc/41/01/72/569410172.db2.gz RBJRSBZJWINTLS-UHFFFAOYSA-N 0 0 429.246 4.879 50 0 IJAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000002616930 569410247 /nfs/dbraw/zinc/41/02/47/569410247.db2.gz SRRMCADEJPEMCY-UHFFFAOYSA-N 0 0 441.915 4.716 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)CCOc1ccccc1C)oc1ccccc12 ZINC000002617414 569410342 /nfs/dbraw/zinc/41/03/42/569410342.db2.gz WUOWLTPUTAKOEC-UHFFFAOYSA-N 0 0 433.460 4.854 50 0 IJAARN CSCC[C@@H](C(=O)Oc1ccc2oc3ccccc3c2c1)N1C(=O)c2ccccc2C1=O ZINC000002617903 569410384 /nfs/dbraw/zinc/41/03/84/569410384.db2.gz MYJUETXCFGWJMY-FQEVSTJZSA-N 0 0 445.496 4.909 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3cc(Br)ccc3c2)c1C ZINC000002618736 569410501 /nfs/dbraw/zinc/41/05/01/569410501.db2.gz YRXFEVGVSZDXDD-UHFFFAOYSA-N 0 0 430.298 4.986 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c(C)n1C ZINC000002619431 569410670 /nfs/dbraw/zinc/41/06/70/569410670.db2.gz GBMVIFFSPKXJLM-UHFFFAOYSA-N 0 0 446.532 4.593 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N1CCc2ccccc21 ZINC000002619836 569410812 /nfs/dbraw/zinc/41/08/12/569410812.db2.gz OCPOKBZHGRTYEH-UHFFFAOYSA-N 0 0 447.947 4.721 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1F)c1ccccc1 ZINC000002625346 569411689 /nfs/dbraw/zinc/41/16/89/569411689.db2.gz AWZRCRLYVACNBU-UHFFFAOYSA-N 0 0 433.512 4.614 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002627905 569411900 /nfs/dbraw/zinc/41/19/00/569411900.db2.gz QDMBAVGDABAMCV-QFIPXVFZSA-N 0 0 448.350 4.697 50 0 IJAARN CCn1c(SCC(=O)NCCc2ccc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000002628554 569412034 /nfs/dbraw/zinc/41/20/34/569412034.db2.gz INDAKZIIPSRTAY-UHFFFAOYSA-N 0 0 441.409 4.784 50 0 IJAARN COc1ccc2cc(-c3cc(C(=O)OCC(=O)NC(C)C)c4ccccc4n3)ccc2c1 ZINC000002629838 569412118 /nfs/dbraw/zinc/41/21/18/569412118.db2.gz JOAKJWMLJMYMCM-UHFFFAOYSA-N 0 0 428.488 4.745 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000002630757 569412323 /nfs/dbraw/zinc/41/23/23/569412323.db2.gz JVXHTCDWPKRIKL-QFIPXVFZSA-N 0 0 435.911 4.798 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 ZINC000002633454 569412718 /nfs/dbraw/zinc/41/27/18/569412718.db2.gz RHYDVGLOYUPNIR-QHCPKHFHSA-N 0 0 434.492 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O=S(=O)(c1nnn2c1nc(Nc1ccccc1Cl)c1ccccc12)c1ccccc1 ZINC000057524091 569439079 /nfs/dbraw/zinc/43/90/79/569439079.db2.gz LHTZEBKICYXWFR-UHFFFAOYSA-N 0 0 435.896 4.507 50 0 IJAARN C[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000003050435 569439157 /nfs/dbraw/zinc/43/91/57/569439157.db2.gz WPEOJHWJEJVDKZ-OAHLLOKOSA-N 0 0 435.886 4.690 50 0 IJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C ZINC000057527877 569439235 /nfs/dbraw/zinc/43/92/35/569439235.db2.gz XHNRWAXEBOOKNA-UHFFFAOYSA-N 0 0 435.833 4.838 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@H](C)C2=O)cc1F ZINC000003055983 569439347 /nfs/dbraw/zinc/43/93/47/569439347.db2.gz UDPYZUIEFZHUAB-MRXNPFEDSA-N 0 0 449.913 4.999 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000057569370 569439835 /nfs/dbraw/zinc/43/98/35/569439835.db2.gz ADDSERONHSPSLH-RUZDIDTESA-N 0 0 433.527 4.645 50 0 IJAARN COC(=O)N[C@H](c1cc(C)ccc1C)C(Br)(Br)Br ZINC000003138932 569440793 /nfs/dbraw/zinc/44/07/93/569440793.db2.gz ZBZOTTINRCHTRT-SNVBAGLBSA-N 0 0 443.961 4.539 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(-c3ccccc3)cc3ccccn32)c1 ZINC000003181529 569441327 /nfs/dbraw/zinc/44/13/27/569441327.db2.gz NYAUFQNYTWURLH-UHFFFAOYSA-N 0 0 432.545 4.868 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003216745 569441889 /nfs/dbraw/zinc/44/18/89/569441889.db2.gz WQKYNMFHQOXFHF-UHFFFAOYSA-N 0 0 432.284 4.623 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2=O)c(C)c1 ZINC000003223053 569442051 /nfs/dbraw/zinc/44/20/51/569442051.db2.gz ONZROJISUCMQAU-UHFFFAOYSA-N 0 0 447.535 4.550 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000003224356 569442080 /nfs/dbraw/zinc/44/20/80/569442080.db2.gz GJUXZXVZQCRGHH-QHCPKHFHSA-N 0 0 442.540 4.895 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc4nc(C)cc(C)n43)ccc21 ZINC000003224041 569442105 /nfs/dbraw/zinc/44/21/05/569442105.db2.gz BZMZXKPQRVJQOS-UHFFFAOYSA-N 0 0 430.537 4.600 50 0 IJAARN O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000003226428 569442147 /nfs/dbraw/zinc/44/21/47/569442147.db2.gz ORPKCEJTNUEVLF-UHFFFAOYSA-N 0 0 435.210 4.816 50 0 IJAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003228023 569442197 /nfs/dbraw/zinc/44/21/97/569442197.db2.gz GXXXRJHMWLVJRH-UHFFFAOYSA-N 0 0 425.378 4.718 50 0 IJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c1 ZINC000003235664 569442456 /nfs/dbraw/zinc/44/24/56/569442456.db2.gz RAOCQVUZWBXKDZ-UHFFFAOYSA-N 0 0 430.485 4.961 50 0 IJAARN COc1cc(C(=O)COC(=O)CSc2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000003241288 569442603 /nfs/dbraw/zinc/44/26/03/569442603.db2.gz UUARQMSRVMJDKX-UHFFFAOYSA-N 0 0 445.320 4.537 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000003253095 569442970 /nfs/dbraw/zinc/44/29/70/569442970.db2.gz RJHQVNXYNKFAML-UHFFFAOYSA-N 0 0 449.484 4.716 50 0 IJAARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003260864 569443258 /nfs/dbraw/zinc/44/32/58/569443258.db2.gz IQOLASYBLHYHBW-UHFFFAOYSA-N 0 0 425.312 4.637 50 0 IJAARN Cc1cc2nnc(SCc3nc(=O)c4c5c(sc4[nH]3)C[C@@H](C)CC5)n2c2ccccc12 ZINC000003274640 569443632 /nfs/dbraw/zinc/44/36/32/569443632.db2.gz HDXNOJZVKOJNLS-LBPRGKRZSA-N 0 0 447.589 4.906 50 0 IJAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C2=O ZINC000003280569 569443837 /nfs/dbraw/zinc/44/38/37/569443837.db2.gz UVQLZGFGPPUDBI-OVWNDWIMSA-N 0 0 446.762 4.722 50 0 IJAARN Cc1nc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(Cl)cc1Cl ZINC000003284071 569444034 /nfs/dbraw/zinc/44/40/34/569444034.db2.gz YPYWYBWPLGBCRX-UHFFFAOYSA-N 0 0 444.318 4.919 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NCc1ccccc1 ZINC000003286532 569444101 /nfs/dbraw/zinc/44/41/01/569444101.db2.gz KMNCUYKSBUBPGQ-UHFFFAOYSA-N 0 0 446.551 4.735 50 0 IJAARN Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003286374 569444127 /nfs/dbraw/zinc/44/41/27/569444127.db2.gz VWMMHEOVFZHQEO-QGZVFWFLSA-N 0 0 431.521 4.882 50 0 IJAARN CCCN(CC1CC1)C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 ZINC000003286430 569444139 /nfs/dbraw/zinc/44/41/39/569444139.db2.gz OPSDJRZCUZULJH-UHFFFAOYSA-N 0 0 436.581 4.684 50 0 IJAARN CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000057991131 569444325 /nfs/dbraw/zinc/44/43/25/569444325.db2.gz WULWUIJFJWNMPU-KSSFIOAISA-N 0 0 444.329 4.780 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COC(=O)CCCc3c[nH]c4ccccc34)n2)cc1 ZINC000003298051 569444864 /nfs/dbraw/zinc/44/48/64/569444864.db2.gz RQPDPKLSBPEPAA-UHFFFAOYSA-N 0 0 449.532 4.805 50 0 IJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2)c1 ZINC000003299765 569444939 /nfs/dbraw/zinc/44/49/39/569444939.db2.gz WKYAWXRCLOLFDO-SFHVURJKSA-N 0 0 431.275 4.934 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c1C ZINC000003308925 569445369 /nfs/dbraw/zinc/44/53/69/569445369.db2.gz YWFVLORIYKYJGZ-UHFFFAOYSA-N 0 0 430.599 4.938 50 0 IJAARN COc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)c(OC)c1 ZINC000003313606 569445566 /nfs/dbraw/zinc/44/55/66/569445566.db2.gz XTHKOLMVIXHDIQ-UHFFFAOYSA-N 0 0 438.430 4.643 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c1 ZINC000003331831 569446514 /nfs/dbraw/zinc/44/65/14/569446514.db2.gz FJDZONVBKXTBTC-LJQANCHMSA-N 0 0 442.265 4.782 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccncc1 ZINC000003341254 569446855 /nfs/dbraw/zinc/44/68/55/569446855.db2.gz OWYQRRFJBMTVNV-GOSISDBHSA-N 0 0 429.549 4.781 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2cc(Cl)ccc2c1=O ZINC000003370443 569448438 /nfs/dbraw/zinc/44/84/38/569448438.db2.gz LSVHGHUBOBHDIM-AWEZNQCLSA-N 0 0 443.956 4.782 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000058171849 569449702 /nfs/dbraw/zinc/44/97/02/569449702.db2.gz RSHKBCKBQYZQDO-IUKKYPGJSA-N 0 0 436.577 4.826 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000003401835 569449848 /nfs/dbraw/zinc/44/98/48/569449848.db2.gz MQNUBDXVKNCDIA-NRFANRHFSA-N 0 0 435.321 4.655 50 0 IJAARN Cc1cc(C(=O)COc2ncnc3c2cnn3-c2ccccc2)c(C)n1Cc1cccs1 ZINC000003426340 569450622 /nfs/dbraw/zinc/45/06/22/569450622.db2.gz NYZOBFDMBLLDOP-UHFFFAOYSA-N 0 0 443.532 4.605 50 0 IJAARN CCc1nnc(NC(=O)c2cc(Br)c(OCc3ccccc3)c(OC)c2)s1 ZINC000003459422 569451866 /nfs/dbraw/zinc/45/18/66/569451866.db2.gz TWGBCQPELACIAT-UHFFFAOYSA-N 0 0 448.342 4.703 50 0 IJAARN COc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)cc1OC ZINC000003476537 569452247 /nfs/dbraw/zinc/45/22/47/569452247.db2.gz DAZUKMTYQKFLIE-UHFFFAOYSA-N 0 0 440.879 4.976 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3Cl)n2C(C)C)cc1 ZINC000003481788 569452367 /nfs/dbraw/zinc/45/23/67/569452367.db2.gz CLHKLVFVLLWDIR-UHFFFAOYSA-N 0 0 430.961 4.597 50 0 IJAARN C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccccc1 ZINC000003501972 569452851 /nfs/dbraw/zinc/45/28/51/569452851.db2.gz FUZITSDCPHYVNR-QGZVFWFLSA-N 0 0 447.535 4.553 50 0 IJAARN Cn1cnnc1S[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003525446 569453299 /nfs/dbraw/zinc/45/32/99/569453299.db2.gz BDECXQWKDZAQBJ-OAHLLOKOSA-N 0 0 426.851 4.959 50 0 IJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC(Nc2ccccc2Cl)CC1 ZINC000058344630 569453432 /nfs/dbraw/zinc/45/34/32/569453432.db2.gz JCRIKNXFGJFLQY-UHFFFAOYSA-N 0 0 434.367 4.607 50 0 IJAARN CC(C)[C@@H](C)NC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 ZINC000003549012 569453723 /nfs/dbraw/zinc/45/37/23/569453723.db2.gz ADTYKMUQYRJKEH-CQSZACIVSA-N 0 0 433.643 4.705 50 0 IJAARN O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000031129088 569453903 /nfs/dbraw/zinc/45/39/03/569453903.db2.gz FTKCYKLYUFONFN-CYBMUJFWSA-N 0 0 433.277 4.514 50 0 IJAARN CN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000031161966 569454269 /nfs/dbraw/zinc/45/42/69/569454269.db2.gz GOOQONLSKHOZBB-UHFFFAOYSA-N 0 0 448.272 4.911 50 0 IJAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000003582639 569454401 /nfs/dbraw/zinc/45/44/01/569454401.db2.gz DLEPMTVMEQACRE-QHCPKHFHSA-N 0 0 437.565 4.706 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)Oc2ccccc2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653694 569455699 /nfs/dbraw/zinc/45/56/99/569455699.db2.gz GRUYPNRDRFMLMK-UHFFFAOYSA-N 0 0 441.486 4.557 50 0 IJAARN C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(c1ccccc1)c1ccccc1 ZINC000031379601 569456201 /nfs/dbraw/zinc/45/62/01/569456201.db2.gz RBZOUUNDHPDWOZ-YADARESESA-N 0 0 428.532 4.755 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000031506644 569456592 /nfs/dbraw/zinc/45/65/92/569456592.db2.gz HDJCVQVDYICDPX-UHFFFAOYSA-N 0 0 427.504 4.604 50 0 IJAARN Cc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2ccccc2)no1 ZINC000031813731 569457901 /nfs/dbraw/zinc/45/79/01/569457901.db2.gz ARQNZPOUWAHDIX-UHFFFAOYSA-N 0 0 426.885 4.839 50 0 IJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000031820104 569458071 /nfs/dbraw/zinc/45/80/71/569458071.db2.gz CKFRDTMLPQUEOA-RUZDIDTESA-N 0 0 439.559 4.841 50 0 IJAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCCOC(C)C)c(=O)oc12)CCCC3 ZINC000004089321 569458752 /nfs/dbraw/zinc/45/87/52/569458752.db2.gz JNQJGPUWDKHOJT-UHFFFAOYSA-N 0 0 425.525 4.509 50 0 biogenic IJAARN CN(Cc1ccc(Br)cc1)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000032039696 569458996 /nfs/dbraw/zinc/45/89/96/569458996.db2.gz XAYAKKHEFAQHDO-UHFFFAOYSA-N 0 0 428.305 4.535 50 0 IJAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OCC(C)C ZINC000032070363 569459172 /nfs/dbraw/zinc/45/91/72/569459172.db2.gz RMOMGAZYLDTZKB-OAHLLOKOSA-N 0 0 441.919 4.791 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000032093163 569459713 /nfs/dbraw/zinc/45/97/13/569459713.db2.gz WNYAWGCDQLZISA-XMMPIXPASA-N 0 0 433.939 4.918 50 0 IJAARN O=C(NC[C@@H](O)c1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032095057 569459803 /nfs/dbraw/zinc/45/98/03/569459803.db2.gz PJBLCLSEQAXZLO-RPBOFIJWSA-N 0 0 446.591 4.721 50 0 IJAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032095978 569459865 /nfs/dbraw/zinc/45/98/65/569459865.db2.gz UFPRGNUAICEILX-FQEVSTJZSA-N 0 0 436.314 4.557 50 0 IJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 ZINC000004122665 569460038 /nfs/dbraw/zinc/46/00/38/569460038.db2.gz UBBJAMBKBYYVJA-UHFFFAOYSA-N 0 0 443.569 4.595 50 0 IJAARN O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2ccco2)C1 ZINC000004130775 569460320 /nfs/dbraw/zinc/46/03/20/569460320.db2.gz OFWJFOULSJGYJF-QGZVFWFLSA-N 0 0 434.293 4.989 50 0 IJAARN Cc1ccc(S(=O)(=O)c2ccc(CSc3nc4sccc4c(N)n3)cc2)cc1 ZINC000032330332 569461361 /nfs/dbraw/zinc/46/13/61/569461361.db2.gz SJORFZCBFNWOCP-UHFFFAOYSA-N 0 0 427.576 4.707 50 0 IJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000032461398 569461802 /nfs/dbraw/zinc/46/18/02/569461802.db2.gz YEEKFAHPISGUMY-SFHVURJKSA-N 0 0 438.549 4.638 50 0 IJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008075998 569462167 /nfs/dbraw/zinc/46/21/67/569462167.db2.gz JPASPAGYOJLEFO-UHFFFAOYSA-N 0 0 426.952 4.738 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008185997 569462387 /nfs/dbraw/zinc/46/23/87/569462387.db2.gz YSRYLXJYOGIZEX-UHFFFAOYSA-N 0 0 425.536 4.541 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000008191142 569462425 /nfs/dbraw/zinc/46/24/25/569462425.db2.gz DXVRAOXEVPPXBH-UHFFFAOYSA-N 0 0 430.614 4.904 50 0 IJAARN C[C@H]1CCCN(C(=O)/C(=C\c2cccc(F)c2)NC(=O)c2ccccc2Br)C1 ZINC000038204957 569462434 /nfs/dbraw/zinc/46/24/34/569462434.db2.gz NZXDZMSEFOTWRW-NPRIEWAGSA-N 0 0 445.332 4.618 50 0 IJAARN Cc1nc2ccccc2n1CC1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000038535759 569463183 /nfs/dbraw/zinc/46/31/83/569463183.db2.gz JZDKTFAYRMOCNI-UHFFFAOYSA-N 0 0 446.473 4.594 50 0 IJAARN CCOC(=O)COc1c(Cl)cc(C=NNc2cccc(C(F)(F)F)c2)cc1OC ZINC000008398767 569463231 /nfs/dbraw/zinc/46/32/31/569463231.db2.gz AIIWIRFRDGAOHG-UHFFFAOYSA-N 0 0 430.810 4.755 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3F)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238090 569465566 /nfs/dbraw/zinc/46/55/66/569465566.db2.gz HTLKNECHMPOUPS-UHFFFAOYSA-N 0 0 436.940 4.602 50 0 IJAARN CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000038546422 569463565 /nfs/dbraw/zinc/46/35/65/569463565.db2.gz PQLMGVZAHPSISD-OAQYLSRUSA-N 0 0 441.622 4.961 50 0 IJAARN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546440 569463599 /nfs/dbraw/zinc/46/35/99/569463599.db2.gz ZGCWGOCJKZBWEB-JOCHJYFZSA-N 0 0 439.581 4.501 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3cccc(C)c3)n2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000067225367 569465142 /nfs/dbraw/zinc/46/51/42/569465142.db2.gz VOISCOQDUMKKAS-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)cn(C)c2c1=O ZINC000067235777 569465380 /nfs/dbraw/zinc/46/53/80/569465380.db2.gz FVJVOIJCBXCSCU-UHFFFAOYSA-N 0 0 434.927 4.565 50 0 IJAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000067238316 569465573 /nfs/dbraw/zinc/46/55/73/569465573.db2.gz RVQAJFQGKULOLP-UHFFFAOYSA-N 0 0 438.475 4.583 50 0 IJAARN CC[C@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(Br)c2)ncn1 ZINC000067255865 569466034 /nfs/dbraw/zinc/46/60/34/569466034.db2.gz UVEBUMQIYOGZPE-INIZCTEOSA-N 0 0 435.391 4.739 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)NCc3ccc(F)c(Cl)c3)n2)cc1 ZINC000067257741 569466124 /nfs/dbraw/zinc/46/61/24/569466124.db2.gz LPUXTLLFHRXAFD-UHFFFAOYSA-N 0 0 431.920 4.662 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3cccc(Cl)c3)ncc2S1(=O)=O ZINC000067260119 569466287 /nfs/dbraw/zinc/46/62/87/569466287.db2.gz HMBYIARGWUJNAW-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3ccccc3Cl)ncc2S1(=O)=O ZINC000067260216 569466300 /nfs/dbraw/zinc/46/63/00/569466300.db2.gz OLEDWOTULBDDIM-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN COc1cccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)c1 ZINC000067260281 569466326 /nfs/dbraw/zinc/46/63/26/569466326.db2.gz JTPAWMZYSLEDJG-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261291 569466529 /nfs/dbraw/zinc/46/65/29/569466529.db2.gz KDYSZFCPCZQSRI-UHFFFAOYSA-N 0 0 442.281 4.705 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F)N1CCOCC1 ZINC000067288388 569467354 /nfs/dbraw/zinc/46/73/54/569467354.db2.gz DSIDVJLWXUPXCC-UHFFFAOYSA-N 0 0 449.860 4.992 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)N[C@H]4CCc5ccccc54)nccn3n2)cc1 ZINC000067290592 569467689 /nfs/dbraw/zinc/46/76/89/569467689.db2.gz PEZYUHOGXIYZEX-NRFANRHFSA-N 0 0 444.560 4.691 50 0 IJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)cc2OC)cc1 ZINC000067297567 569468037 /nfs/dbraw/zinc/46/80/37/569468037.db2.gz WJYJKPWWZHYHBR-RFBIWTDZSA-N 0 0 430.460 4.943 50 0 IJAARN COc1cc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)ccc1OC(C)C ZINC000008583201 569469147 /nfs/dbraw/zinc/46/91/47/569469147.db2.gz SVDXPLSNSOWGJN-VWLOTQADSA-N 0 0 442.600 4.860 50 0 IJAARN C[C@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000008631627 569469526 /nfs/dbraw/zinc/46/95/26/569469526.db2.gz GDLRWAVYZNAJJQ-QMMMGPOBSA-N 0 0 427.637 4.705 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000008705155 569470381 /nfs/dbraw/zinc/47/03/81/569470381.db2.gz ZLKKGOAWRYXUSS-UHFFFAOYSA-N 0 0 444.516 4.503 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc32)nnc1N1CCCCC1 ZINC000008710477 569470924 /nfs/dbraw/zinc/47/09/24/569470924.db2.gz YPBQKLPTZRZDQH-UHFFFAOYSA-N 0 0 447.564 4.723 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008716101 569471055 /nfs/dbraw/zinc/47/10/55/569471055.db2.gz QFXYYLLMNJOADX-HZPDHXFCSA-N 0 0 446.528 4.970 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NCc1ccccc1Cl ZINC000008713012 569471083 /nfs/dbraw/zinc/47/10/83/569471083.db2.gz YZDWIAXFCGMGSX-UHFFFAOYSA-N 0 0 444.940 4.710 50 0 IJAARN Cc1cccc2c(C)cc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)nc12 ZINC000008723850 569471909 /nfs/dbraw/zinc/47/19/09/569471909.db2.gz AAQRILWACPPPAT-UHFFFAOYSA-N 0 0 427.957 4.694 50 0 IJAARN O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)c1cccs1 ZINC000008735614 569472625 /nfs/dbraw/zinc/47/26/25/569472625.db2.gz XTZQLCOVBLURIB-UHFFFAOYSA-N 0 0 431.336 4.832 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c1C ZINC000008752465 569473581 /nfs/dbraw/zinc/47/35/81/569473581.db2.gz CUNRKGQKPROITL-UHFFFAOYSA-N 0 0 439.924 4.809 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(COc2ccccc2)o1 ZINC000008756679 569474131 /nfs/dbraw/zinc/47/41/31/569474131.db2.gz UJSGTNZJKZOENA-UHFFFAOYSA-N 0 0 435.505 4.557 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000008758529 569474219 /nfs/dbraw/zinc/47/42/19/569474219.db2.gz CKLYWMVSFUWJGP-HXUWFJFHSA-N 0 0 441.531 4.931 50 0 IJAARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000008773815 569475280 /nfs/dbraw/zinc/47/52/80/569475280.db2.gz KGRSPDOWHRHVCX-HRRCHGLFSA-N 0 0 442.515 4.704 50 0 IJAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008776948 569475391 /nfs/dbraw/zinc/47/53/91/569475391.db2.gz JPFJZZIKWMFMNH-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN Cc1ccc2nc3c(c(C(=O)OCC(=O)Nc4ccnn4C4CCCC4)c2c1)CCCC3 ZINC000008777267 569475422 /nfs/dbraw/zinc/47/54/22/569475422.db2.gz XLTRADKRJUIHAN-UHFFFAOYSA-N 0 0 432.524 4.529 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(C)cc(C)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000008781638 569475711 /nfs/dbraw/zinc/47/57/11/569475711.db2.gz XWVWCPJLMYNGTQ-UHFFFAOYSA-N 0 0 435.467 4.673 50 0 IJAARN Cc1ccc([C@H]2CN3C(=O)CN(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789106 569475899 /nfs/dbraw/zinc/47/58/99/569475899.db2.gz JZCQMWMZJHQOFI-BTYSJIOQSA-N 0 0 449.554 4.708 50 0 biogenic IJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3c[nH]c4ccccc34)c(C)c21 ZINC000008791551 569476264 /nfs/dbraw/zinc/47/62/64/569476264.db2.gz NYROTNFVUZXORK-UHFFFAOYSA-N 0 0 428.488 4.847 50 0 biogenic IJAARN Cc1c(C(=O)Nc2cnc3ccccc3c2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000008814345 569476679 /nfs/dbraw/zinc/47/66/79/569476679.db2.gz XVQDZHMDDKBKGC-UHFFFAOYSA-N 0 0 444.491 4.754 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)s1 ZINC000008827396 569477641 /nfs/dbraw/zinc/47/76/41/569477641.db2.gz KIAZZQOJISYJME-QGZVFWFLSA-N 0 0 441.871 4.749 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008844039 569478524 /nfs/dbraw/zinc/47/85/24/569478524.db2.gz UOQZMMJACMCVPV-UHFFFAOYSA-N 0 0 427.460 4.786 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)CC1 ZINC000008844276 569478616 /nfs/dbraw/zinc/47/86/16/569478616.db2.gz BQRZKXRGALWIGA-UHFFFAOYSA-N 0 0 437.949 4.813 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000008844999 569478643 /nfs/dbraw/zinc/47/86/43/569478643.db2.gz WYMUNMSJMRZYAM-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000008845831 569478973 /nfs/dbraw/zinc/47/89/73/569478973.db2.gz PDRBRGBAESJUMV-XMMPIXPASA-N 0 0 435.524 4.781 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846242 569479069 /nfs/dbraw/zinc/47/90/69/569479069.db2.gz PUYDXYANKAOJHB-HSZRJFAPSA-N 0 0 426.472 4.641 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852102 569479434 /nfs/dbraw/zinc/47/94/34/569479434.db2.gz WKKFYHQPFOGBEW-UHFFFAOYSA-N 0 0 445.541 4.511 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852053 569479435 /nfs/dbraw/zinc/47/94/35/569479435.db2.gz PHAXTJYQINTJDA-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN O=C(CSc1nc(CC(=O)NCc2ccc(F)cc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852353 569479450 /nfs/dbraw/zinc/47/94/50/569479450.db2.gz HVTZLJJQCRHGNV-UHFFFAOYSA-N 0 0 449.960 4.525 50 0 IJAARN COc1cc(CSc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc(OC)c1 ZINC000008853653 569479541 /nfs/dbraw/zinc/47/95/41/569479541.db2.gz PWCOASMRDFCQPN-HNNXBMFYSA-N 0 0 428.579 4.873 50 0 IJAARN Cc1sc2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1 ZINC000008861152 569479970 /nfs/dbraw/zinc/47/99/70/569479970.db2.gz XMXNOIZHPVQMFL-FQEVSTJZSA-N 0 0 429.545 4.627 50 0 IJAARN COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1N1CCCCC1 ZINC000008867694 569480285 /nfs/dbraw/zinc/48/02/85/569480285.db2.gz AZPFPLAGHALXCQ-UHFFFAOYSA-N 0 0 426.453 4.956 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008871462 569480811 /nfs/dbraw/zinc/48/08/11/569480811.db2.gz SBXOWPLRHRYHQM-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccc(F)cc45)c(C)c3cc12 ZINC000008877132 569481173 /nfs/dbraw/zinc/48/11/73/569481173.db2.gz VKWGHGGAOCCUDA-UHFFFAOYSA-N 0 0 432.451 4.678 50 0 biogenic IJAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4cc5c(C)coc5cc4oc3=O)c2c1 ZINC000008877178 569481219 /nfs/dbraw/zinc/48/12/19/569481219.db2.gz OQEBFBADURVMNW-UHFFFAOYSA-N 0 0 444.487 4.547 50 0 biogenic IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000008879668 569481376 /nfs/dbraw/zinc/48/13/76/569481376.db2.gz FLBXKYNPWUVGET-SFHVURJKSA-N 0 0 441.556 4.515 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1O)c1ccccc1Cl ZINC000039975544 569482154 /nfs/dbraw/zinc/48/21/54/569482154.db2.gz CJCAEWRVHRFTER-NRFANRHFSA-N 0 0 433.895 4.507 50 0 IJAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000039980583 569482245 /nfs/dbraw/zinc/48/22/45/569482245.db2.gz OYGWHOFCPYUNSS-ZDUSSCGKSA-N 0 0 434.537 4.525 50 0 IJAARN COc1cc(SC)ccc1C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008881453 569482876 /nfs/dbraw/zinc/48/28/76/569482876.db2.gz XIZHBEWVGGJLOQ-UHFFFAOYSA-N 0 0 433.835 4.885 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc32)c1 ZINC000008893733 569483665 /nfs/dbraw/zinc/48/36/65/569483665.db2.gz DTTTYIOCYIIURT-KRWDZBQOSA-N 0 0 443.528 4.627 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 ZINC000008895810 569483778 /nfs/dbraw/zinc/48/37/78/569483778.db2.gz DBMRLGYGWVJAHI-UHFFFAOYSA-N 0 0 431.521 4.802 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(Br)cc1 ZINC000008896204 569483872 /nfs/dbraw/zinc/48/38/72/569483872.db2.gz HYWQPTGTWCOLJG-UHFFFAOYSA-N 0 0 435.372 4.835 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1cc(F)ccc1F ZINC000008898757 569484057 /nfs/dbraw/zinc/48/40/57/569484057.db2.gz LYEBXCQAWAPZKZ-UHFFFAOYSA-N 0 0 425.464 4.770 50 0 IJAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2n1 ZINC000040050319 569484190 /nfs/dbraw/zinc/48/41/90/569484190.db2.gz LDSVSXDHKMBICA-UHFFFAOYSA-N 0 0 435.527 4.954 50 0 IJAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cs2)cc1 ZINC000040067399 569484971 /nfs/dbraw/zinc/48/49/71/569484971.db2.gz YOURNGJSESIWOJ-UHFFFAOYSA-N 0 0 425.579 4.692 50 0 IJAARN Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)cc(=O)c2cc1C ZINC000008915843 569485604 /nfs/dbraw/zinc/48/56/04/569485604.db2.gz RIFNJLVWMHHHIE-IBGZPJMESA-N 0 0 425.912 4.885 50 0 IJAARN Cc1cc2nc(Sc3nnc(COc4ccccc4Cl)n3C)c3ccccc3n2n1 ZINC000040071543 569485769 /nfs/dbraw/zinc/48/57/69/569485769.db2.gz PMZKHOFPKLVWOD-UHFFFAOYSA-N 0 0 436.928 4.703 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)Cc1cccs1 ZINC000008926538 569487336 /nfs/dbraw/zinc/48/73/36/569487336.db2.gz KKSSGJMQLWGMHE-UHFFFAOYSA-N 0 0 442.562 4.955 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000040099027 569487580 /nfs/dbraw/zinc/48/75/80/569487580.db2.gz MOEURIVQRFKTCR-FQEVSTJZSA-N 0 0 449.473 4.920 50 0 IJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000008932766 569487693 /nfs/dbraw/zinc/48/76/93/569487693.db2.gz LSVYPDYKRJZVRY-UHFFFAOYSA-N 0 0 440.515 4.688 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3-n3cccc3)sc2c1 ZINC000008933588 569487818 /nfs/dbraw/zinc/48/78/18/569487818.db2.gz WOPJITBYIILJNG-UHFFFAOYSA-N 0 0 429.505 4.924 50 0 IJAARN Cc1ccc(CSc2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1 ZINC000008936096 569488038 /nfs/dbraw/zinc/48/80/38/569488038.db2.gz YTSPCMBHMZFVOT-UHFFFAOYSA-N 0 0 441.597 4.774 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000008939473 569488277 /nfs/dbraw/zinc/48/82/77/569488277.db2.gz PZUOKHHPDUGRRY-LJQANCHMSA-N 0 0 428.558 4.689 50 0 IJAARN O=C(NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Br)cc1F ZINC000040106728 569488389 /nfs/dbraw/zinc/48/83/89/569488389.db2.gz QLYWLKFCRHLPCA-UHFFFAOYSA-N 0 0 427.273 4.771 50 0 IJAARN Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000008941959 569488617 /nfs/dbraw/zinc/48/86/17/569488617.db2.gz CJAAKBQDLHATKG-HXUWFJFHSA-N 0 0 443.576 4.680 50 0 IJAARN Cc1cccn2cc(-c3ccc(NC(=O)CCC(=O)c4ccc5c(c4)OCCO5)cc3)nc12 ZINC000040119493 569489388 /nfs/dbraw/zinc/48/93/88/569489388.db2.gz AZCYCIBXCYECIU-UHFFFAOYSA-N 0 0 441.487 4.683 50 0 IJAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119820 569489451 /nfs/dbraw/zinc/48/94/51/569489451.db2.gz FBPCUFCEIKTLFQ-GASCZTMLSA-N 0 0 427.599 4.722 50 0 IJAARN COc1cccc(-n2c(/C=C3/c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)c1 ZINC000008951221 569489895 /nfs/dbraw/zinc/48/98/95/569489895.db2.gz SIJOGKLPKJQZCQ-JWGURIENSA-N 0 0 437.499 4.690 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2OCC(C)(C)C1=O ZINC000008958917 569490253 /nfs/dbraw/zinc/49/02/53/569490253.db2.gz OEKOEYSAPVGELV-UHFFFAOYSA-N 0 0 440.540 4.898 50 0 IJAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 ZINC000040132785 569490384 /nfs/dbraw/zinc/49/03/84/569490384.db2.gz FVFXJOGLJKCSSK-UHFFFAOYSA-N 0 0 425.508 4.968 50 0 IJAARN CC[C@H](C(=O)NC[C@@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965290 569491369 /nfs/dbraw/zinc/49/13/69/569491369.db2.gz UMLURUBHCWJIOK-HOYKHHGWSA-N 0 0 442.563 4.675 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)COc1ccc(-c3nc4ccccc4s3)cc1)CCC2 ZINC000008965634 569491495 /nfs/dbraw/zinc/49/14/95/569491495.db2.gz LBSXTKNVDVEBOD-UHFFFAOYSA-N 0 0 449.557 4.630 50 0 IJAARN O=C(CCNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1)N1CCCC1 ZINC000040141409 569491697 /nfs/dbraw/zinc/49/16/97/569491697.db2.gz NILDSDBKSJQZSB-UHFFFAOYSA-N 0 0 434.561 4.736 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000008966232 569491740 /nfs/dbraw/zinc/49/17/40/569491740.db2.gz YMKDWQVRBMSBDK-UHFFFAOYSA-N 0 0 438.896 4.939 50 0 IJAARN CCOc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000040145406 569492060 /nfs/dbraw/zinc/49/20/60/569492060.db2.gz GHIYGDARMRAUAM-UHFFFAOYSA-N 0 0 434.561 4.978 50 0 IJAARN CN(c1ccc(NC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1F)C1CCCCC1 ZINC000040145977 569492224 /nfs/dbraw/zinc/49/22/24/569492224.db2.gz CREIRWQQUVWZEE-HNNXBMFYSA-N 0 0 430.490 4.600 50 0 IJAARN Cc1cc(C)cc(-c2nn(CN3CCC(C(=O)Nc4ncccc4C)CC3)c(=S)o2)c1 ZINC000040149192 569492431 /nfs/dbraw/zinc/49/24/31/569492431.db2.gz KSVKJMAXNISAFS-UHFFFAOYSA-N 0 0 437.569 4.501 50 0 IJAARN C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1cccnc1 ZINC000008971957 569492714 /nfs/dbraw/zinc/49/27/14/569492714.db2.gz TYLZNLLXMPSSES-HNNXBMFYSA-N 0 0 434.879 4.592 50 0 IJAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000040150656 569493204 /nfs/dbraw/zinc/49/32/04/569493204.db2.gz UYONPFZQXHKZQH-UHFFFAOYSA-N 0 0 435.427 4.984 50 0 IJAARN COc1ccccc1-c1nc(CS(=O)(=O)c2nccn2-c2cc(C)ccc2C)cs1 ZINC000040152162 569493407 /nfs/dbraw/zinc/49/34/07/569493407.db2.gz WKEMKCWBCFOOQX-UHFFFAOYSA-N 0 0 439.562 4.595 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(Oc2ccccc2)(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000040155160 569493900 /nfs/dbraw/zinc/49/39/00/569493900.db2.gz ALUZGBRGROCODH-UHFFFAOYSA-N 0 0 432.467 4.752 50 0 IJAARN COCCOc1ccc(S(=O)(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000040155783 569493937 /nfs/dbraw/zinc/49/39/37/569493937.db2.gz KTKMLHOJRXZOFM-HNNXBMFYSA-N 0 0 443.487 4.645 50 0 IJAARN Cc1noc(C2CCN(CC(=O)Nc3ccc(Sc4cc(C)ccc4C)cc3)CC2)n1 ZINC000040156392 569494130 /nfs/dbraw/zinc/49/41/30/569494130.db2.gz BMKXQPZUFPYPBZ-UHFFFAOYSA-N 0 0 436.581 4.964 50 0 IJAARN Cn1cc(-c2nc(C(=O)Nc3ccc4[nH]c(-c5ccccc5Cl)nc4c3)cs2)cn1 ZINC000040156455 569494170 /nfs/dbraw/zinc/49/41/70/569494170.db2.gz MHPACCNXSKKWHI-UHFFFAOYSA-N 0 0 434.912 4.993 50 0 IJAARN CCc1ccccc1O[C@@H]1C(=O)N(Cc2cccc(NC(C)=O)c2)[C@@H]1c1cccc(OC)c1 ZINC000040157777 569494346 /nfs/dbraw/zinc/49/43/46/569494346.db2.gz VYQXULRNMRVOOQ-FTJBHMTQSA-N 0 0 444.531 4.747 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 ZINC000009034082 569497187 /nfs/dbraw/zinc/49/71/87/569497187.db2.gz ZMFJDMUPUVQCHU-INIZCTEOSA-N 0 0 435.904 4.704 50 0 biogenic IJAARN CC(C)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040312482 569498893 /nfs/dbraw/zinc/49/88/93/569498893.db2.gz TVVMFHADLJGFOA-WGWZZZELSA-N 0 0 433.677 4.918 50 0 biogenic IJAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2OC)cc1 ZINC000009076004 569500235 /nfs/dbraw/zinc/50/02/35/569500235.db2.gz CGWUYFYKASKRHR-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CN(C)P(=NC(=S)Nc1ccc(SC(F)F)cc1)(c1ccncc1)N(C)C ZINC000009090307 569500965 /nfs/dbraw/zinc/50/09/65/569500965.db2.gz UZHDOEOJWPODDO-UHFFFAOYSA-N 0 0 429.502 4.573 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)n2)cc1OC ZINC000009095300 569501317 /nfs/dbraw/zinc/50/13/17/569501317.db2.gz CZECUDYCPXHHTK-UHFFFAOYSA-N 0 0 439.487 4.868 50 0 IJAARN CC(=O)Nc1ccc2nc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)sc2c1 ZINC000009096081 569501419 /nfs/dbraw/zinc/50/14/19/569501419.db2.gz CPOJFTPNIOOFGS-UHFFFAOYSA-N 0 0 431.930 4.515 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009096980 569501439 /nfs/dbraw/zinc/50/14/39/569501439.db2.gz YOVWXMPAKLAECR-UHFFFAOYSA-N 0 0 441.475 4.832 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)c(OC)c1 ZINC000069367316 569502497 /nfs/dbraw/zinc/50/24/97/569502497.db2.gz VHSBYJYRDNATRL-FQEVSTJZSA-N 0 0 443.931 4.618 50 0 IJAARN Cc1ccc(-n2nnnc2SCCCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000009114014 569502535 /nfs/dbraw/zinc/50/25/35/569502535.db2.gz QWEKSPOVCKKNED-UHFFFAOYSA-N 0 0 426.933 4.707 50 0 IJAARN CCN(CC)C(=O)Cn1cc(SCC(=O)NCc2ccccc2Cl)c2ccccc21 ZINC000009118275 569503239 /nfs/dbraw/zinc/50/32/39/569503239.db2.gz KAKPSJXCNASWDZ-UHFFFAOYSA-N 0 0 444.000 4.572 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)c2ccccc2)c(C)c1 ZINC000245326163 569503669 /nfs/dbraw/zinc/50/36/69/569503669.db2.gz DLWIZGRCPNFWCP-ZJSXRUAMSA-N 0 0 447.579 4.964 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(C)n1C ZINC000009120368 569503851 /nfs/dbraw/zinc/50/38/51/569503851.db2.gz DJHKTTSNSZUMMA-UHFFFAOYSA-N 0 0 434.323 4.542 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1 ZINC000009124905 569504477 /nfs/dbraw/zinc/50/44/77/569504477.db2.gz QHQBULYWSUOGOQ-MRXNPFEDSA-N 0 0 429.567 4.765 50 0 IJAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ncc(Cl)cc1Cl ZINC000009125016 569504518 /nfs/dbraw/zinc/50/45/18/569504518.db2.gz PLWJFVYNJYPLPW-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN O=C(CNc1cc2c(cc1Br)OCCO2)Nc1ccccc1-c1ccccc1 ZINC000009125616 569504707 /nfs/dbraw/zinc/50/47/07/569504707.db2.gz YYGXBWRJCKSPHP-UHFFFAOYSA-N 0 0 439.309 4.938 50 0 IJAARN Cc1ccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2-c2ccccc2)cc1C ZINC000009127015 569505103 /nfs/dbraw/zinc/50/51/03/569505103.db2.gz IRKPNBAJRJKGHR-UHFFFAOYSA-N 0 0 439.548 4.819 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)cc1 ZINC000009127224 569505180 /nfs/dbraw/zinc/50/51/80/569505180.db2.gz ZCERSIAXZJPGMD-UHFFFAOYSA-N 0 0 431.517 4.621 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC000009127637 569505235 /nfs/dbraw/zinc/50/52/35/569505235.db2.gz NSKQCKWUHYGVNS-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000009128552 569505444 /nfs/dbraw/zinc/50/54/44/569505444.db2.gz DLPCICLMXWSBLH-UHFFFAOYSA-N 0 0 447.004 4.558 50 0 IJAARN CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1 ZINC000009130394 569506035 /nfs/dbraw/zinc/50/60/35/569506035.db2.gz NQBKNAGHSJAEMD-UHFFFAOYSA-N 0 0 444.922 4.881 50 0 IJAARN COc1ccc(Cn2c(SCc3ccc(C(=O)NC4CC4)cc3)nc3cccnc32)cc1 ZINC000009151247 569507469 /nfs/dbraw/zinc/50/74/69/569507469.db2.gz BWQUDORBZUEDOS-UHFFFAOYSA-N 0 0 444.560 4.673 50 0 IJAARN CN(C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(cccc2F)s1 ZINC000009151870 569507638 /nfs/dbraw/zinc/50/76/38/569507638.db2.gz QYUAREKZHNPGJN-UHFFFAOYSA-N 0 0 447.535 4.875 50 0 IJAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(F)cc5)nc4c32)cc1 ZINC000009158297 569508445 /nfs/dbraw/zinc/50/84/45/569508445.db2.gz OTXPTGONCGVPSG-OAQYLSRUSA-N 0 0 440.434 4.931 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009159340 569508583 /nfs/dbraw/zinc/50/85/83/569508583.db2.gz BRAZBYFMAULDEO-OAHLLOKOSA-N 0 0 437.945 4.523 50 0 IJAARN O=S(=O)(c1ccc2oc(SCc3nc4ccccc4s3)nc2c1)N1CCCCC1 ZINC000009166422 569508846 /nfs/dbraw/zinc/50/88/46/569508846.db2.gz DAPHQGXXSXMCGA-UHFFFAOYSA-N 0 0 445.591 4.904 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169268 569509139 /nfs/dbraw/zinc/50/91/39/569509139.db2.gz AAKBVVVQMCFLFS-UHFFFAOYSA-N 0 0 444.597 4.848 50 0 IJAARN Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000009201784 569511234 /nfs/dbraw/zinc/51/12/34/569511234.db2.gz ROEQKADJQNKYDA-UHFFFAOYSA-N 0 0 426.851 4.667 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3C2)cc1 ZINC000009203746 569511311 /nfs/dbraw/zinc/51/13/11/569511311.db2.gz RXBKFIQYFKDQBS-UHFFFAOYSA-N 0 0 434.561 4.611 50 0 IJAARN O=C1c2ccccc2N[C@@H](c2cc3c(cc2Br)OCO3)N1Cc1ccco1 ZINC000009207104 569511441 /nfs/dbraw/zinc/51/14/41/569511441.db2.gz DZBUAYIVMIRAHR-LJQANCHMSA-N 0 0 427.254 4.538 50 0 IJAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000009209035 569511484 /nfs/dbraw/zinc/51/14/84/569511484.db2.gz RTDDROVSWJKNNM-UHFFFAOYSA-N 0 0 432.505 4.824 50 0 IJAARN Clc1ccccc1-n1c(SCc2nc(-c3ccccc3)no2)nnc1N1CCCC1 ZINC000009209148 569511523 /nfs/dbraw/zinc/51/15/23/569511523.db2.gz AYAVMKNKSDAEFM-UHFFFAOYSA-N 0 0 438.944 4.863 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000009211704 569511826 /nfs/dbraw/zinc/51/18/26/569511826.db2.gz QNLOVIXOBYZMDN-UHFFFAOYSA-N 0 0 432.455 4.540 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4ccc(C)o4)C[C@@H]3c3ccco3)nc2c1 ZINC000009222904 569512826 /nfs/dbraw/zinc/51/28/26/569512826.db2.gz BBZBOUWYXUHEEY-GOSISDBHSA-N 0 0 436.493 4.536 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000009227432 569513375 /nfs/dbraw/zinc/51/33/75/569513375.db2.gz BYDGNAHSTWMMFZ-UHFFFAOYSA-N 0 0 448.903 4.676 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn(-c2ccc(F)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227725 569513521 /nfs/dbraw/zinc/51/35/21/569513521.db2.gz SINHOFJSKLPZGN-INIZCTEOSA-N 0 0 444.551 4.654 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1C ZINC000009236938 569514197 /nfs/dbraw/zinc/51/41/97/569514197.db2.gz FCSSPDVBPSPABL-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1 ZINC000009238216 569514235 /nfs/dbraw/zinc/51/42/35/569514235.db2.gz UWKLHWBHKMULPQ-VXKWHMMOSA-N 0 0 441.560 4.905 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1 ZINC000009238231 569514245 /nfs/dbraw/zinc/51/42/45/569514245.db2.gz LDDYAFVIPBSTHU-NHCUHLMSSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)c1C ZINC000009238261 569514258 /nfs/dbraw/zinc/51/42/58/569514258.db2.gz DASANNYKMLNWFL-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009243085 569514808 /nfs/dbraw/zinc/51/48/08/569514808.db2.gz BLSYMMLSMSLWTG-HSZRJFAPSA-N 0 0 428.467 4.679 50 0 IJAARN NC(=O)N[C@@H](CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000009245745 569515385 /nfs/dbraw/zinc/51/53/85/569515385.db2.gz SEHOVTTUQFZOLL-RPWUZVMVSA-N 0 0 429.520 4.772 50 0 IJAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2cccc(C)c2)C1=O ZINC000009245586 569515388 /nfs/dbraw/zinc/51/53/88/569515388.db2.gz DBELHUMQQHDLKJ-AREMUKBSSA-N 0 0 443.503 4.583 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1C ZINC000009250076 569515625 /nfs/dbraw/zinc/51/56/25/569515625.db2.gz HBSHQNYXFFSKBN-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)c2-n1cccc1 ZINC000009251914 569515994 /nfs/dbraw/zinc/51/59/94/569515994.db2.gz UUDAJIQYJIRGLE-INIZCTEOSA-N 0 0 433.533 4.966 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1c(Cl)cccc1C(F)(F)F ZINC000009493264 569540679 /nfs/dbraw/zinc/54/06/79/569540679.db2.gz GAIFHIKXYOUAAR-UHFFFAOYSA-N 0 0 426.572 4.510 50 0 IJAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000009254737 569516422 /nfs/dbraw/zinc/51/64/22/569516422.db2.gz BHZLUYGDILZMGU-UHFFFAOYSA-N 0 0 445.548 4.775 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccc(C(N)=O)cc1)cc2-c1ccccc1 ZINC000009255511 569516572 /nfs/dbraw/zinc/51/65/72/569516572.db2.gz YHDOBIGWQDIVGK-UHFFFAOYSA-N 0 0 443.528 4.740 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3cc(C)c(C)cc3Br)n[nH]2)cc1 ZINC000009261678 569517003 /nfs/dbraw/zinc/51/70/03/569517003.db2.gz RNGLYFOUSIAGNQ-UHFFFAOYSA-N 0 0 447.358 4.590 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000009266420 569517443 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569522539 /nfs/dbraw/zinc/52/25/39/569522539.db2.gz CPVOGJFLGWDEIF-UHFFFAOYSA-N 0 0 444.535 4.543 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 ZINC000009336498 569523397 /nfs/dbraw/zinc/52/33/97/569523397.db2.gz UITMVULYAWKWTA-LJQANCHMSA-N 0 0 448.544 4.769 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2c(C)c(C)sc2NC(=O)C(C)(C)C)c1C ZINC000009336771 569523469 /nfs/dbraw/zinc/52/34/69/569523469.db2.gz ZMXIOBZORDYMBJ-CQSZACIVSA-N 0 0 446.569 4.925 50 0 IJAARN Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009339134 569523737 /nfs/dbraw/zinc/52/37/37/569523737.db2.gz JXGHJLXYGJPWOM-HYBUGGRVSA-N 0 0 433.508 4.616 50 0 IJAARN CCC(CC)C(=O)N1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000069927137 569524033 /nfs/dbraw/zinc/52/40/33/569524033.db2.gz XPCAQXFGVHTQNM-UHFFFAOYSA-N 0 0 444.579 4.696 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000009348012 569524413 /nfs/dbraw/zinc/52/44/13/569524413.db2.gz 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CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009367795 569526511 /nfs/dbraw/zinc/52/65/11/569526511.db2.gz QWAIWSPEDPOMPQ-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000009372985 569527004 /nfs/dbraw/zinc/52/70/04/569527004.db2.gz UCFZDZARCWEONO-UHFFFAOYSA-N 0 0 437.352 4.629 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000009373322 569527053 /nfs/dbraw/zinc/52/70/53/569527053.db2.gz VBHZTIVJUOPRTG-IRXDYDNUSA-N 0 0 435.593 4.599 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000009382279 569528206 /nfs/dbraw/zinc/52/82/06/569528206.db2.gz VMKJREGXGXBFEG-UHFFFAOYSA-N 0 0 447.442 4.593 50 0 IJAARN COc1cc(CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc(OC)c1OC ZINC000009383815 569528397 /nfs/dbraw/zinc/52/83/97/569528397.db2.gz KLOXHGLAAYQZCX-UHFFFAOYSA-N 0 0 430.501 4.855 50 0 IJAARN CCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(CC)cccc1CC ZINC000009390726 569528759 /nfs/dbraw/zinc/52/87/59/569528759.db2.gz HGEBIRWXRSDFSY-UHFFFAOYSA-N 0 0 438.597 4.833 50 0 IJAARN CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1 ZINC000009409049 569530764 /nfs/dbraw/zinc/53/07/64/569530764.db2.gz DUMLBJNCILMNLS-RUZDIDTESA-N 0 0 449.551 4.933 50 0 IJAARN CCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000009408981 569530844 /nfs/dbraw/zinc/53/08/44/569530844.db2.gz DAQKCECIQFDFGU-XMMPIXPASA-N 0 0 445.475 4.528 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OC ZINC000009409232 569530956 /nfs/dbraw/zinc/53/09/56/569530956.db2.gz VROHAKWAGKCPMY-DEOSSOPVSA-N 0 0 435.524 4.925 50 0 IJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)cc1 ZINC000009412826 569531641 /nfs/dbraw/zinc/53/16/41/569531641.db2.gz LIQHSCUONWXPLJ-KRWDZBQOSA-N 0 0 439.581 4.677 50 0 IJAARN CCCCOc1ccc(C(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009415717 569532212 /nfs/dbraw/zinc/53/22/12/569532212.db2.gz DWMZYDNVHQBHLM-LJQANCHMSA-N 0 0 433.957 4.785 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)cc2NC1=O ZINC000009417489 569532358 /nfs/dbraw/zinc/53/23/58/569532358.db2.gz FEDSKVZUWRVKPJ-QGZVFWFLSA-N 0 0 438.487 4.570 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3ccccc3C)cs2)cc1 ZINC000009416715 569532360 /nfs/dbraw/zinc/53/23/60/569532360.db2.gz BYIISDHNMSASDU-UHFFFAOYSA-N 0 0 435.578 4.814 50 0 IJAARN COc1ccc2c(c1)c(-c1csc(NC(=O)c3ccc(OC)c(OC)c3)n1)c(C)n2C ZINC000009420494 569532630 /nfs/dbraw/zinc/53/26/30/569532630.db2.gz NPKLDBCNAAHEAJ-UHFFFAOYSA-N 0 0 437.521 4.888 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c(C)c1 ZINC000009427621 569533366 /nfs/dbraw/zinc/53/33/66/569533366.db2.gz XMVLCXUPCFMRSY-UHFFFAOYSA-N 0 0 443.594 4.730 50 0 IJAARN Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009428348 569533539 /nfs/dbraw/zinc/53/35/39/569533539.db2.gz UVQPGHKDBAGLFA-YZSQISJMSA-N 0 0 437.543 4.915 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)coc2c1C ZINC000009430911 569534027 /nfs/dbraw/zinc/53/40/27/569534027.db2.gz JMVATBDKPXGFMY-UHFFFAOYSA-N 0 0 440.565 4.651 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3cccc(C)c3)s2)n1 ZINC000009431803 569534307 /nfs/dbraw/zinc/53/43/07/569534307.db2.gz SVVROCLDDCFSAR-UHFFFAOYSA-N 0 0 438.003 4.947 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1coc2ccccc2c1=O ZINC000009434115 569534669 /nfs/dbraw/zinc/53/46/69/569534669.db2.gz QPYHGSSAADBPBY-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN O=C(CNC(=O)c1cccs1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000009440071 569535154 /nfs/dbraw/zinc/53/51/54/569535154.db2.gz LRWJTMHFCNTZPR-UHFFFAOYSA-N 0 0 431.311 4.671 50 0 IJAARN C[C@@H](NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3)c1ccc2c(c1)OCO2 ZINC000009442723 569535616 /nfs/dbraw/zinc/53/56/16/569535616.db2.gz BLQVONITUXHIAM-CHWSQXEVSA-N 0 0 441.578 4.514 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000009444007 569535787 /nfs/dbraw/zinc/53/57/87/569535787.db2.gz CBKIJNOEJNNICN-UHFFFAOYSA-N 0 0 426.520 4.728 50 0 IJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000009446145 569535825 /nfs/dbraw/zinc/53/58/25/569535825.db2.gz KUXSTCVCJMTMMY-UHFFFAOYSA-N 0 0 434.883 4.684 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CCc3c(C)nc4cc(C)nn4c3C)ccc2OC)cc1 ZINC000009446147 569535833 /nfs/dbraw/zinc/53/58/33/569535833.db2.gz JWWJUNXKVYOMNJ-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN CCc1ccc(OCc2nnc(S[C@@H]3C[C@H](C)OC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000009448128 569536074 /nfs/dbraw/zinc/53/60/74/569536074.db2.gz CJVCLAWJWVRISO-CSODHUTKSA-N 0 0 437.565 4.825 50 0 IJAARN CCc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009459651 569536847 /nfs/dbraw/zinc/53/68/47/569536847.db2.gz KMJOFSKFCDJDQS-KRWDZBQOSA-N 0 0 448.009 4.947 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)c2oc1-c1ccccc1 ZINC000009459539 569536860 /nfs/dbraw/zinc/53/68/60/569536860.db2.gz UVWUYGHYEGWYIR-KRWDZBQOSA-N 0 0 427.456 4.952 50 0 IJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000009460102 569536893 /nfs/dbraw/zinc/53/68/93/569536893.db2.gz TYHHPWQFONJODQ-QHCPKHFHSA-N 0 0 426.513 4.505 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000009461724 569537150 /nfs/dbraw/zinc/53/71/50/569537150.db2.gz NPFRISRZXQKFFD-UBFVSLLYSA-N 0 0 436.467 4.597 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000009461945 569537165 /nfs/dbraw/zinc/53/71/65/569537165.db2.gz FNYFCELILFXTHH-UHFFFAOYSA-N 0 0 432.549 4.718 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(Cl)cc1 ZINC000009462095 569537263 /nfs/dbraw/zinc/53/72/63/569537263.db2.gz HARVHFZDLLYYNR-CYBMUJFWSA-N 0 0 433.002 4.888 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)n2)cc1 ZINC000009463152 569537385 /nfs/dbraw/zinc/53/73/85/569537385.db2.gz VVIXBTDCHIXQLE-UHFFFAOYSA-N 0 0 442.523 4.601 50 0 IJAARN Nn1c(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nnc1C1CC1 ZINC000009463098 569537392 /nfs/dbraw/zinc/53/73/92/569537392.db2.gz YREVIYBLCQXUNS-MRXNPFEDSA-N 0 0 434.352 4.648 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000009463221 569537413 /nfs/dbraw/zinc/53/74/13/569537413.db2.gz WXAWOEHBESHWMQ-UHFFFAOYSA-N 0 0 431.319 4.790 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 ZINC000009469066 569538727 /nfs/dbraw/zinc/53/87/27/569538727.db2.gz LZPBZQFCXRUYPW-UHFFFAOYSA-N 0 0 448.531 4.531 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCc2cccc(F)c2)CC1 ZINC000009474773 569539054 /nfs/dbraw/zinc/53/90/54/569539054.db2.gz IRBYYVFUFLABBG-UHFFFAOYSA-N 0 0 447.557 4.683 50 0 IJAARN O=C([C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1)N1CCCC1 ZINC000009477467 569539178 /nfs/dbraw/zinc/53/91/78/569539178.db2.gz DLNRRBBMXJBIHZ-KRWDZBQOSA-N 0 0 443.370 4.690 50 0 IJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000009498859 569541395 /nfs/dbraw/zinc/54/13/95/569541395.db2.gz RSNDPWIWRBYSNT-UHFFFAOYSA-N 0 0 444.347 4.912 50 0 IJAARN COc1ccc(-n2nnnc2S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000009507709 569542123 /nfs/dbraw/zinc/54/21/23/569542123.db2.gz BVFHLIFJXIKUFH-QFIPXVFZSA-N 0 0 445.548 4.760 50 0 IJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1 ZINC000009507748 569542125 /nfs/dbraw/zinc/54/21/25/569542125.db2.gz HDRVLZCTBBCVGX-AWEZNQCLSA-N 0 0 430.961 4.603 50 0 IJAARN CCn1c(=O)c2cc(Br)ccc2nc1SCCCC(=O)c1ccccc1 ZINC000009508708 569542412 /nfs/dbraw/zinc/54/24/12/569542412.db2.gz IKURUXVRYOQRSO-UHFFFAOYSA-N 0 0 431.355 4.934 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000009509086 569542477 /nfs/dbraw/zinc/54/24/77/569542477.db2.gz LPAPDSUGVZWHHQ-WMLDXEAASA-N 0 0 440.594 4.965 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)nc1C ZINC000009509518 569542603 /nfs/dbraw/zinc/54/26/03/569542603.db2.gz NIOWLLKSIXUHGA-UHFFFAOYSA-N 0 0 440.550 4.648 50 0 IJAARN O=S(=O)(c1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1)N1CCCCC1 ZINC000009511976 569542896 /nfs/dbraw/zinc/54/28/96/569542896.db2.gz TYVPWONLIZADJO-UHFFFAOYSA-N 0 0 443.516 4.689 50 0 IJAARN CSc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009512276 569542916 /nfs/dbraw/zinc/54/29/16/569542916.db2.gz GHUSIMRCXALNBY-FQEVSTJZSA-N 0 0 425.550 4.896 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009514617 569543234 /nfs/dbraw/zinc/54/32/34/569543234.db2.gz RNJMXMHFHWZFKU-QHCPKHFHSA-N 0 0 441.535 4.574 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2nnc(NCc3ccco3)s2)c2ccccc2S1 ZINC000009514725 569543268 /nfs/dbraw/zinc/54/32/68/569543268.db2.gz PNOMSZNSFXJLBJ-ZDUSSCGKSA-N 0 0 432.596 4.753 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009517659 569543738 /nfs/dbraw/zinc/54/37/38/569543738.db2.gz XPFNYNPGEDOAOX-UHFFFAOYSA-N 0 0 448.310 4.992 50 0 IJAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000009518533 569544152 /nfs/dbraw/zinc/54/41/52/569544152.db2.gz WCXILKUNWWWVSC-UHFFFAOYSA-N 0 0 442.471 4.946 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009518531 569544168 /nfs/dbraw/zinc/54/41/68/569544168.db2.gz ZRNUDFSKCWYHRV-UHFFFAOYSA-N 0 0 446.434 4.777 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009523568 569544423 /nfs/dbraw/zinc/54/44/23/569544423.db2.gz MNVCPDBQBRUKEW-UHFFFAOYSA-N 0 0 427.504 4.838 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)cc1Cl ZINC000009528217 569544719 /nfs/dbraw/zinc/54/47/19/569544719.db2.gz JKKTUSPQLDUAMM-HXUWFJFHSA-N 0 0 425.916 4.990 50 0 IJAARN CC(C)CCOc1ccc(-c2nc3c4c5c(sc4[nH]c(=O)n3n2)COC(C)(C)C5)cc1 ZINC000009530772 569545029 /nfs/dbraw/zinc/54/50/29/569545029.db2.gz RKTYIQPILLJLBN-UHFFFAOYSA-N 0 0 438.553 4.576 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000009530875 569545097 /nfs/dbraw/zinc/54/50/97/569545097.db2.gz PISOVWBWVCBKMP-HNNXBMFYSA-N 0 0 441.491 4.651 50 0 IJAARN COc1ccc([C@H]2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCCCC2)cc1 ZINC000009546363 569546261 /nfs/dbraw/zinc/54/62/61/569546261.db2.gz OCVZNWVJSGUADG-SANMLTNESA-N 0 0 434.580 4.763 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009546842 569546327 /nfs/dbraw/zinc/54/63/27/569546327.db2.gz ZTZAKMDVAMYQNC-ZDUSSCGKSA-N 0 0 442.547 4.923 50 0 IJAARN Cc1oc2cc(OCC(=O)N(C)Cc3ccccc3)ccc2c(=O)c1Oc1ccccc1 ZINC000009547242 569546353 /nfs/dbraw/zinc/54/63/53/569546353.db2.gz IORRLHAOSJBCNK-UHFFFAOYSA-N 0 0 429.472 4.931 50 0 IJAARN Cc1oc2cc(OCC(=O)NCCCOC(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000009548015 569546459 /nfs/dbraw/zinc/54/64/59/569546459.db2.gz WWJMNGAVPHLGEO-UHFFFAOYSA-N 0 0 443.927 4.732 50 0 IJAARN COc1ccc(-c2cc(=O)c3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3o2)cc1 ZINC000009572644 569547858 /nfs/dbraw/zinc/54/78/58/569547858.db2.gz VYWRSZNWRHETCL-UHFFFAOYSA-N 0 0 441.892 4.923 50 0 biogenic IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)n1 ZINC000009573396 569547870 /nfs/dbraw/zinc/54/78/70/569547870.db2.gz QBUVKOXCVIFZLQ-UHFFFAOYSA-N 0 0 435.528 4.644 50 0 IJAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000009575474 569547978 /nfs/dbraw/zinc/54/79/78/569547978.db2.gz GMFSAQXYTMPUHL-UHFFFAOYSA-N 0 0 449.557 4.756 50 0 IJAARN CC1(C)Cc2c(sc3c2c2nc(-c4ccccc4)nn2c(=O)n3Cc2ccccc2)CO1 ZINC000009576247 569548083 /nfs/dbraw/zinc/54/80/83/569548083.db2.gz CRQDIJIKYHXMBH-UHFFFAOYSA-N 0 0 442.544 4.672 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)nc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009580104 569548686 /nfs/dbraw/zinc/54/86/86/569548686.db2.gz HBOZGBUAEFCFBJ-QGZVFWFLSA-N 0 0 444.274 4.516 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1Cc1cccs1 ZINC000009580920 569548877 /nfs/dbraw/zinc/54/88/77/569548877.db2.gz WDKZFLWXMSHPJU-UHFFFAOYSA-N 0 0 436.606 4.909 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000009583225 569549290 /nfs/dbraw/zinc/54/92/90/569549290.db2.gz VGHBSYUDQCCFGP-UHFFFAOYSA-N 0 0 430.485 4.961 50 0 IJAARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 ZINC000009584043 569549345 /nfs/dbraw/zinc/54/93/45/569549345.db2.gz HWBBRGBNHGKZNV-LJQANCHMSA-N 0 0 428.473 4.853 50 0 IJAARN C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cc2ccccc2o1 ZINC000009584953 569549519 /nfs/dbraw/zinc/54/95/19/569549519.db2.gz UKQQYTWPNIFPQP-GOSISDBHSA-N 0 0 428.488 4.619 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000009584955 569549527 /nfs/dbraw/zinc/54/95/27/569549527.db2.gz WMPXZBJFOJGNSX-UHFFFAOYSA-N 0 0 445.899 4.513 50 0 IJAARN O=C(COC(=O)COc1ccc(Nc2ccccc2)cc1)Nc1ccc(Cl)cc1F ZINC000009585453 569549540 /nfs/dbraw/zinc/54/95/40/569549540.db2.gz JBVVAVGBZKQNLN-UHFFFAOYSA-N 0 0 428.847 4.783 50 0 IJAARN Cc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[nH]2)n1C1CCCCC1 ZINC000009586212 569549659 /nfs/dbraw/zinc/54/96/59/569549659.db2.gz QYJPHUMYEBYPHY-UHFFFAOYSA-N 0 0 427.555 4.942 50 0 IJAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000009586598 569549743 /nfs/dbraw/zinc/54/97/43/569549743.db2.gz RNTFJOIKOGNBCS-HTAPYJJXSA-N 0 0 440.465 4.924 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCC(=O)c1ccc(Cl)s1 ZINC000009589126 569549930 /nfs/dbraw/zinc/54/99/30/569549930.db2.gz FVGWBGLLOIMJTC-UHFFFAOYSA-N 0 0 429.306 4.623 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009592962 569550364 /nfs/dbraw/zinc/55/03/64/569550364.db2.gz BPCLYTSFOXOAAD-HSZRJFAPSA-N 0 0 445.446 4.700 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1cccc2ccccc21 ZINC000009595910 569550735 /nfs/dbraw/zinc/55/07/35/569550735.db2.gz QCDPQOOJOWKSDQ-INIZCTEOSA-N 0 0 429.549 4.798 50 0 IJAARN CCCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)C(C)=N2 ZINC000009597308 569550852 /nfs/dbraw/zinc/55/08/52/569550852.db2.gz MPIGCDWOHVDLEI-IBGZPJMESA-N 0 0 430.574 4.811 50 0 IJAARN COc1ccccc1C(=O)N1c2ccccc2N2C(c3c(C)c(C)cc(C)c3C)=NON12 ZINC000009600717 569551565 /nfs/dbraw/zinc/55/15/65/569551565.db2.gz QVSUQBAFKNECKE-UHFFFAOYSA-N 0 0 428.492 4.835 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc4c(cc3c2=O)OCCO4)cc1C ZINC000009610718 569552556 /nfs/dbraw/zinc/55/25/56/569552556.db2.gz YIJRWMLGZKLBRX-UHFFFAOYSA-N 0 0 425.484 4.669 50 0 IJAARN C[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000009612715 569552893 /nfs/dbraw/zinc/55/28/93/569552893.db2.gz GIUTYVKLWFVPMM-WJONBZRJSA-N 0 0 445.774 4.920 50 0 IJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc(OC)ccc32)c1 ZINC000009610781 569552650 /nfs/dbraw/zinc/55/26/50/569552650.db2.gz MYPJPPWMRXRVBQ-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000009613608 569553023 /nfs/dbraw/zinc/55/30/23/569553023.db2.gz QZMKAMHXIDXTKW-GOSISDBHSA-N 0 0 429.498 4.837 50 0 IJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1C ZINC000009632895 569554139 /nfs/dbraw/zinc/55/41/39/569554139.db2.gz ALEWVLNBTMSQTE-UHFFFAOYSA-N 0 0 432.307 4.911 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(N(C)C)cc1)oc1ccccc12 ZINC000009632898 569554147 /nfs/dbraw/zinc/55/41/47/569554147.db2.gz GGPHKGTVASSPSE-HNNXBMFYSA-N 0 0 432.476 4.845 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccc(C)cc2)cc1 ZINC000009633362 569554226 /nfs/dbraw/zinc/55/42/26/569554226.db2.gz WLVXPGACRFKVRF-UHFFFAOYSA-N 0 0 436.581 4.792 50 0 IJAARN Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCC(C)CC1 ZINC000009633395 569554244 /nfs/dbraw/zinc/55/42/44/569554244.db2.gz FZKDHFFNEXEADR-UHFFFAOYSA-N 0 0 441.984 4.698 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)[C@@H]1C ZINC000009633353 569554247 /nfs/dbraw/zinc/55/42/47/569554247.db2.gz PYIVBMXBCPYKRF-GPMSIDNRSA-N 0 0 439.556 4.558 50 0 IJAARN C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009635151 569554612 /nfs/dbraw/zinc/55/46/12/569554612.db2.gz WILNQMCJTNKDAX-SNVBAGLBSA-N 0 0 445.472 4.882 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000009635266 569554640 /nfs/dbraw/zinc/55/46/40/569554640.db2.gz XLFRKRUFNVEKBQ-UHFFFAOYSA-N 0 0 439.459 4.646 50 0 IJAARN CSc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Cl)cc4)n3)c2C)c1 ZINC000009638238 569554972 /nfs/dbraw/zinc/55/49/72/569554972.db2.gz VANUGGCMEBXXOO-UHFFFAOYSA-N 0 0 442.957 4.722 50 0 IJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2F)n1Cc1ccc(F)cc1 ZINC000009638302 569554987 /nfs/dbraw/zinc/55/49/87/569554987.db2.gz CRPYMTVKMLVHSF-LJQANCHMSA-N 0 0 430.252 4.889 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccco1 ZINC000009639272 569555154 /nfs/dbraw/zinc/55/51/54/569555154.db2.gz NXJXQAXUQKTEGJ-AWEZNQCLSA-N 0 0 442.928 4.802 50 0 IJAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000009646901 569556379 /nfs/dbraw/zinc/55/63/79/569556379.db2.gz MJCRDYIRXLDZMJ-GOSISDBHSA-N 0 0 439.762 4.662 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)c1 ZINC000009659242 569556638 /nfs/dbraw/zinc/55/66/38/569556638.db2.gz AANLQWPLELIVLT-UHFFFAOYSA-N 0 0 439.537 4.519 50 0 IJAARN COc1ccc(CNc2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)cc1OC ZINC000009662450 569557143 /nfs/dbraw/zinc/55/71/43/569557143.db2.gz PFLFEYSVPHAJAV-UHFFFAOYSA-N 0 0 438.597 4.795 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000009666829 569557772 /nfs/dbraw/zinc/55/77/72/569557772.db2.gz LNOQLIANSDKQDU-QHCPKHFHSA-N 0 0 426.472 4.520 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)n2Cc2ccco2)c1 ZINC000009669556 569558132 /nfs/dbraw/zinc/55/81/32/569558132.db2.gz LEXMEVUCEQRRBS-UHFFFAOYSA-N 0 0 444.560 4.572 50 0 IJAARN CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(C)cc2Br)C(C)C)cc1 ZINC000009670246 569558255 /nfs/dbraw/zinc/55/82/55/569558255.db2.gz ALINVJTUNISNEE-LJQANCHMSA-N 0 0 433.346 4.549 50 0 IJAARN CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000009670348 569558278 /nfs/dbraw/zinc/55/82/78/569558278.db2.gz GNWUXLYRSXZXRD-UHFFFAOYSA-N 0 0 442.924 4.620 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000009671185 569558487 /nfs/dbraw/zinc/55/84/87/569558487.db2.gz OEHHBFCZZKDJEX-HOTGVXAUSA-N 0 0 441.988 4.579 50 0 IJAARN CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000009671466 569558553 /nfs/dbraw/zinc/55/85/53/569558553.db2.gz RSDRMZREEFYMGY-NRFANRHFSA-N 0 0 427.504 4.525 50 0 IJAARN Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3Cc3ccc(F)cc3)nc12 ZINC000009672146 569558701 /nfs/dbraw/zinc/55/87/01/569558701.db2.gz VMBZTNXBVKOOTI-UHFFFAOYSA-N 0 0 430.508 4.832 50 0 IJAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nc2ccccc2s1 ZINC000009672630 569558832 /nfs/dbraw/zinc/55/88/32/569558832.db2.gz UZOMFVHNYHTTNR-UHFFFAOYSA-N 0 0 445.610 4.870 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(OC)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685754 569560696 /nfs/dbraw/zinc/56/06/96/569560696.db2.gz SSJBMBJLSOCJFC-UHFFFAOYSA-N 0 0 426.538 4.695 50 0 IJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCCc3ccc(Cl)cc3)c2n1 ZINC000009687377 569560751 /nfs/dbraw/zinc/56/07/51/569560751.db2.gz AMEJLXWDTIKPRS-UHFFFAOYSA-N 0 0 435.959 4.631 50 0 IJAARN COc1ccc(C[C@@H](NC(=O)c2ccc(Br)o2)c2ccc(OC)cc2)cc1 ZINC000009703925 569561405 /nfs/dbraw/zinc/56/14/05/569561405.db2.gz FJKPLZJHJGDQOT-GOSISDBHSA-N 0 0 430.298 4.773 50 0 IJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000009707739 569561668 /nfs/dbraw/zinc/56/16/68/569561668.db2.gz KBKOIVMNVAVMAF-UHFFFAOYSA-N 0 0 426.563 4.735 50 0 IJAARN CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(OC)c2)cc1 ZINC000009712814 569562376 /nfs/dbraw/zinc/56/23/76/569562376.db2.gz CTJIEFZCFCWXIR-UHFFFAOYSA-N 0 0 435.528 4.651 50 0 IJAARN CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2OC)cc1 ZINC000009712812 569562391 /nfs/dbraw/zinc/56/23/91/569562391.db2.gz AGOBYBFYWILNLE-UHFFFAOYSA-N 0 0 435.528 4.651 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009713071 569562503 /nfs/dbraw/zinc/56/25/03/569562503.db2.gz JXFQNHOLEMHVNU-UHFFFAOYSA-N 0 0 436.515 4.978 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)sc21 ZINC000009722265 569563440 /nfs/dbraw/zinc/56/34/40/569563440.db2.gz SEHSFXXIVFATOU-UHFFFAOYSA-N 0 0 425.897 4.979 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000009744123 569565591 /nfs/dbraw/zinc/56/55/91/569565591.db2.gz PSDYQZKAGLCHTO-DEOSSOPVSA-N 0 0 439.515 4.861 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000009781051 569567558 /nfs/dbraw/zinc/56/75/58/569567558.db2.gz CDEJBXIJKGSIGP-HNNXBMFYSA-N 0 0 437.949 4.579 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cnc4ccccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000009780745 569567508 /nfs/dbraw/zinc/56/75/08/569567508.db2.gz RXSOMNMKCQNZFM-JWQCQUIFSA-N 0 0 437.499 4.793 50 0 IJAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000009783545 569567836 /nfs/dbraw/zinc/56/78/36/569567836.db2.gz VUFUTIZROXLAMV-INIZCTEOSA-N 0 0 445.475 4.803 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000009783798 569567898 /nfs/dbraw/zinc/56/78/98/569567898.db2.gz LIAGETHUGWPRMK-SFHVURJKSA-N 0 0 432.549 4.994 50 0 IJAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1 ZINC000009787085 569567945 /nfs/dbraw/zinc/56/79/45/569567945.db2.gz QTHYUEYSSMVJMF-UHFFFAOYSA-N 0 0 443.528 4.857 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@@H]3CCCc4ccccc43)c(=O)c12 ZINC000009792579 569568273 /nfs/dbraw/zinc/56/82/73/569568273.db2.gz NIPZSBHFSAXWFA-HXUWFJFHSA-N 0 0 429.545 4.627 50 0 IJAARN C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1ccc(F)c(F)c1F ZINC000009816751 569569298 /nfs/dbraw/zinc/56/92/98/569569298.db2.gz NUDQTVLAZHMYEB-SNVBAGLBSA-N 0 0 433.407 4.909 50 0 IJAARN COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009822064 569569471 /nfs/dbraw/zinc/56/94/71/569569471.db2.gz NVLQKAHWAHMNIQ-UHFFFAOYSA-N 0 0 427.460 4.594 50 0 IJAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 ZINC000009822637 569569548 /nfs/dbraw/zinc/56/95/48/569569548.db2.gz CNBYTMRISQIMGQ-UHFFFAOYSA-N 0 0 438.530 4.886 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000009829873 569570190 /nfs/dbraw/zinc/57/01/90/569570190.db2.gz MQMDSNAQFSIVCA-LJQANCHMSA-N 0 0 444.556 4.593 50 0 IJAARN COc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C)c2ccccc2)cc1Cl ZINC000009832089 569570294 /nfs/dbraw/zinc/57/02/94/569570294.db2.gz GWZMWKIYWRVMNO-GOSISDBHSA-N 0 0 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O=c1c2c3c(sc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccccc1)CCCC3 ZINC000009937508 569573824 /nfs/dbraw/zinc/57/38/24/569573824.db2.gz RPGVEIINAFZOSV-UHFFFAOYSA-N 0 0 436.964 4.854 50 0 IJAARN O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)NCc1ccc(Cl)cc1Cl ZINC000009949176 569574197 /nfs/dbraw/zinc/57/41/97/569574197.db2.gz NWDPXPIKVLUGAK-UHFFFAOYSA-N 0 0 444.343 4.748 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009950140 569574348 /nfs/dbraw/zinc/57/43/48/569574348.db2.gz IMYXJEUWBVWJEO-UNMCSNQZSA-N 0 0 447.608 4.519 50 0 IJAARN C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cc21 ZINC000009952093 569574582 /nfs/dbraw/zinc/57/45/82/569574582.db2.gz LGWBBPDBYAKTHG-NEPJUHHUSA-N 0 0 439.562 4.954 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(F)c2)cc1 ZINC000009959023 569575078 /nfs/dbraw/zinc/57/50/78/569575078.db2.gz ZUEHGISKMNLWSL-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009959093 569575079 /nfs/dbraw/zinc/57/50/79/569575079.db2.gz WNAXPFPKXBHUOO-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)c1 ZINC000009959522 569575168 /nfs/dbraw/zinc/57/51/68/569575168.db2.gz PCUYKFNNTGLHPE-UHFFFAOYSA-N 0 0 428.513 4.732 50 0 IJAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1 ZINC000009959796 569575210 /nfs/dbraw/zinc/57/52/10/569575210.db2.gz MMOVVLMZCGZKCL-UHFFFAOYSA-N 0 0 428.513 4.732 50 0 IJAARN O=C(COc1c(Cl)cccc1Cl)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000009960152 569575392 /nfs/dbraw/zinc/57/53/92/569575392.db2.gz SDMNLTDQUATULN-UHFFFAOYSA-N 0 0 431.201 4.610 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)c3cc(C)ccc3OC(F)F)o2)c1 ZINC000009963544 569575783 /nfs/dbraw/zinc/57/57/83/569575783.db2.gz RCRLEYPTOFYWMM-UHFFFAOYSA-N 0 0 436.436 4.639 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1OC ZINC000009970157 569576146 /nfs/dbraw/zinc/57/61/46/569576146.db2.gz LCXQNEPVWNVJJB-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccc(C)cc4)nc23)cc1 ZINC000009969990 569576176 /nfs/dbraw/zinc/57/61/76/569576176.db2.gz BBVWVMHJCLDQKU-UHFFFAOYSA-N 0 0 449.561 4.786 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)c(OC)c1 ZINC000009970153 569576181 /nfs/dbraw/zinc/57/61/81/569576181.db2.gz CUEVEDSUKSLEQO-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000009980073 569576453 /nfs/dbraw/zinc/57/64/53/569576453.db2.gz RPXUOYOWMPMAMT-QHCPKHFHSA-N 0 0 446.375 4.572 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1Cl ZINC000009980280 569576454 /nfs/dbraw/zinc/57/64/54/569576454.db2.gz FAKNBDOKUHKMEC-UHFFFAOYSA-N 0 0 435.915 4.682 50 0 IJAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O ZINC000009983940 569576625 /nfs/dbraw/zinc/57/66/25/569576625.db2.gz PCNKFSULYAFBBQ-HXUWFJFHSA-N 0 0 433.316 4.858 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)cc1 ZINC000009983325 569576628 /nfs/dbraw/zinc/57/66/28/569576628.db2.gz KPCUKQWZJIWXBU-UHFFFAOYSA-N 0 0 436.733 4.846 50 0 IJAARN COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009984986 569576672 /nfs/dbraw/zinc/57/66/72/569576672.db2.gz ZAEAGTFFLQZWHP-OAQYLSRUSA-N 0 0 434.496 4.887 50 0 IJAARN CSc1cccc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c1 ZINC000009988231 569576813 /nfs/dbraw/zinc/57/68/13/569576813.db2.gz AURPMVFJZMFHEZ-UHFFFAOYSA-N 0 0 443.956 4.719 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cc(Cl)ccc2nc1C ZINC000010132539 569578059 /nfs/dbraw/zinc/57/80/59/569578059.db2.gz FFFMLCJJVOIZHF-UHFFFAOYSA-N 0 0 446.732 4.636 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000010166152 569578162 /nfs/dbraw/zinc/57/81/62/569578162.db2.gz MPQGRLVZZJDCLF-UHFFFAOYSA-N 0 0 440.512 4.967 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O ZINC000010187781 569578704 /nfs/dbraw/zinc/57/87/04/569578704.db2.gz HIRPDEXZZDCYQM-UHFFFAOYSA-N 0 0 431.717 4.873 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000010214309 569579079 /nfs/dbraw/zinc/57/90/79/569579079.db2.gz SZGPUAHFKBFGHM-NRFANRHFSA-N 0 0 435.524 4.577 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3cccs3)=NN12 ZINC000010214609 569579185 /nfs/dbraw/zinc/57/91/85/569579185.db2.gz MCRZNPNEUNLAFM-GOSISDBHSA-N 0 0 441.553 4.639 50 0 IJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1nc2ccccc2s1 ZINC000010298718 569580595 /nfs/dbraw/zinc/58/05/95/569580595.db2.gz LHFNXYVPHUPDSH-UHFFFAOYSA-N 0 0 429.549 4.700 50 0 IJAARN Cc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@@H](c3cccnc3)C21 ZINC000010337061 569581151 /nfs/dbraw/zinc/58/11/51/569581151.db2.gz NXBCOIGMGUAOHU-FCHUYYIVSA-N 0 0 428.883 4.590 50 0 IJAARN O=C(Nc1ccc(Cl)c2ncsc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000010337196 569581188 /nfs/dbraw/zinc/58/11/88/569581188.db2.gz RXRNSIWFTXQTOY-UHFFFAOYSA-N 0 0 449.985 4.767 50 0 IJAARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000071851769 569582474 /nfs/dbraw/zinc/58/24/74/569582474.db2.gz ZIXJKRFQRTZIBS-UHFFFAOYSA-N 0 0 434.565 4.830 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)n2)cc1 ZINC000001158573 569584443 /nfs/dbraw/zinc/58/44/43/569584443.db2.gz JKRATKNGQCCEFZ-NYYWCZLTSA-N 0 0 429.954 4.999 50 0 IJAARN O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)C(c1ccccc1)c1ccccc1 ZINC000077100038 569585265 /nfs/dbraw/zinc/58/52/65/569585265.db2.gz ILSHIFMUMWJKDV-UHFFFAOYSA-N 0 0 449.558 4.574 50 0 IJAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCc1csc(-c2ccc(F)cc2)n1 ZINC000077200700 569586469 /nfs/dbraw/zinc/58/64/69/569586469.db2.gz VXPPMWGZAUUHHP-UHFFFAOYSA-N 0 0 444.475 4.630 50 0 IJAARN Cc1ccsc1-c1nc(CSCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)o1 ZINC000020241323 569587121 /nfs/dbraw/zinc/58/71/21/569587121.db2.gz WEVMWSIBZMJIJW-UHFFFAOYSA-N 0 0 441.622 4.598 50 0 IJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002130437 291389788 /nfs/dbraw/zinc/38/97/88/291389788.db2.gz SEAWKEDAGUOXED-KWKQFXLSSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1[C@@H](C(=O)OC)CC2 ZINC000000622587 193859391 /nfs/dbraw/zinc/85/93/91/193859391.db2.gz LHSCTCYLGIBHFZ-KRWDZBQOSA-N 0 0 435.501 4.657 50 0 IJAARN Cc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000628853 193862371 /nfs/dbraw/zinc/86/23/71/193862371.db2.gz LKERLKFUMLHRCM-UHFFFAOYSA-N 0 0 434.989 4.601 50 0 IJAARN COc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1 ZINC000006161561 193886954 /nfs/dbraw/zinc/88/69/54/193886954.db2.gz ZNPGXRGDEQYEQB-UHFFFAOYSA-N 0 0 432.343 4.556 50 0 IJAARN Brc1cccc(CNc2n[nH]c(NCc3cccc(Br)c3)n2)c1 ZINC000009847123 193905237 /nfs/dbraw/zinc/90/52/37/193905237.db2.gz QRINLTNILPBFES-UHFFFAOYSA-N 0 0 437.139 4.554 50 0 IJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@]23c2cc(Br)ccc2N(C)C3=O)cc1 ZINC000000643558 132228282 /nfs/dbraw/zinc/22/82/82/132228282.db2.gz NYYMXIFMCCOJBX-HSZRJFAPSA-N 0 0 448.320 4.659 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)N1CCCc2ccccc21 ZINC000009366319 132231132 /nfs/dbraw/zinc/23/11/32/132231132.db2.gz ZFDXJMKAESYTCO-UHFFFAOYSA-N 0 0 444.969 4.515 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1Br ZINC000000849410 132231536 /nfs/dbraw/zinc/23/15/36/132231536.db2.gz ROAVMCFGHCHHER-UHFFFAOYSA-N 0 0 439.737 4.590 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccc(Cl)cc3)nn21)N1CCCc2ccccc21 ZINC000009829049 132241725 /nfs/dbraw/zinc/24/17/25/132241725.db2.gz ZQHWJCPMUIMSCP-UHFFFAOYSA-N 0 0 435.940 4.516 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000001322056 132241739 /nfs/dbraw/zinc/24/17/39/132241739.db2.gz BJYKXJKFHSUOAZ-SANMLTNESA-N 0 0 445.515 4.949 50 0 biogenic IJAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(N2CCOCC2)n1 ZINC000002367752 132253087 /nfs/dbraw/zinc/25/30/87/132253087.db2.gz QKXKJLMPPHNOST-UHFFFAOYSA-N 0 0 444.626 4.773 50 0 IJAARN CCOc1ccc2[nH]c3c(ncnc3N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000002419922 132254138 /nfs/dbraw/zinc/25/41/38/132254138.db2.gz GSRQWKPANNRABX-UHFFFAOYSA-N 0 0 441.457 4.855 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000003056965 132261182 /nfs/dbraw/zinc/26/11/82/132261182.db2.gz SDIIAJKSLXKJDV-WZGTUUFSSA-N 0 0 444.506 4.730 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000003242942 132262730 /nfs/dbraw/zinc/26/27/30/132262730.db2.gz FNETVEBBTMFBDX-UHFFFAOYSA-N 0 0 441.556 4.766 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000003371757 132264857 /nfs/dbraw/zinc/26/48/57/132264857.db2.gz MTTJKGAZJYKXSX-UHFFFAOYSA-N 0 0 437.540 4.671 50 0 IJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(F)c1 ZINC000004119697 132270019 /nfs/dbraw/zinc/27/00/19/132270019.db2.gz JCEUDQMAVJVVIF-UHFFFAOYSA-N 0 0 425.451 4.962 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 ZINC000004122854 132270545 /nfs/dbraw/zinc/27/05/45/132270545.db2.gz UOSPWQUNSVSFCQ-UHFFFAOYSA-N 0 0 443.547 4.608 50 0 IJAARN CCCCc1nc2sc3c(nc(SC)nc3N3CCN(C)CC3)c2c2c1CCC2 ZINC000005219742 132275003 /nfs/dbraw/zinc/27/50/03/132275003.db2.gz WUAQHCOKSICFQV-UHFFFAOYSA-N 0 0 427.643 4.545 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000005145731 132275030 /nfs/dbraw/zinc/27/50/30/132275030.db2.gz XVCCNEHFVAWPQY-YOEHRIQHSA-N 0 0 426.561 4.895 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCN(c3ccccc3F)CC2)ccc1OCC(C)C ZINC000006350528 132277217 /nfs/dbraw/zinc/27/72/17/132277217.db2.gz SYIFRPGWCPCZTK-ZRDIBKRKSA-N 0 0 426.532 4.621 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C2CCCC2)c1C ZINC000007140193 132280251 /nfs/dbraw/zinc/28/02/51/132280251.db2.gz QSKLWAGEBHSNSC-SFHVURJKSA-N 0 0 428.602 4.571 50 0 IJAARN CCc1ccccc1NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000008588432 132282976 /nfs/dbraw/zinc/28/29/76/132282976.db2.gz CSUAVPACSYKJNH-MRXNPFEDSA-N 0 0 441.959 4.960 50 0 IJAARN CCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000008596402 132285101 /nfs/dbraw/zinc/28/51/01/132285101.db2.gz SYYCBWXKLQJIIO-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008598375 132285699 /nfs/dbraw/zinc/28/56/99/132285699.db2.gz ZYDAWUUUEIGBMX-UHFFFAOYSA-N 0 0 439.563 4.562 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000008608628 132287635 /nfs/dbraw/zinc/28/76/35/132287635.db2.gz WNPVGYPZOZHSMJ-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1 ZINC000008610206 132288115 /nfs/dbraw/zinc/28/81/15/132288115.db2.gz UPOFFZVCEJWCGP-UHFFFAOYSA-N 0 0 436.581 4.860 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2CCCN2c2cc(C(F)(F)F)ccc21 ZINC000008781592 132294472 /nfs/dbraw/zinc/29/44/72/132294472.db2.gz MBGJBGOAJFNMMQ-AWEZNQCLSA-N 0 0 446.878 4.545 50 0 IJAARN O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008912709 132297549 /nfs/dbraw/zinc/29/75/49/132297549.db2.gz UVEIFYVKGOWWLH-UHFFFAOYSA-N 0 0 441.000 4.902 50 0 IJAARN Cc1ccc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c(Cl)c1 ZINC000009114917 132303417 /nfs/dbraw/zinc/30/34/17/132303417.db2.gz SUHYXRVCLOHSSN-QFIPXVFZSA-N 0 0 435.911 4.929 50 0 IJAARN NC(=O)C1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000009119590 132304701 /nfs/dbraw/zinc/30/47/01/132304701.db2.gz DIXDSFFZSNHBFS-UHFFFAOYSA-N 0 0 438.622 4.564 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c2n1 ZINC000009120240 132304742 /nfs/dbraw/zinc/30/47/42/132304742.db2.gz BJJBRLNWLZRUJI-UHFFFAOYSA-N 0 0 448.325 4.717 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(Br)o1 ZINC000009136262 132306423 /nfs/dbraw/zinc/30/64/23/132306423.db2.gz ZTTISBOBRSDHTI-UHFFFAOYSA-N 0 0 425.282 4.774 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009190265 132307989 /nfs/dbraw/zinc/30/79/89/132307989.db2.gz NCIQVCFSIKKDCV-GFCCVEGCSA-N 0 0 429.731 4.889 50 0 IJAARN Cc1ccccc1NC=C1C(=O)N(c2ccc(Br)cn2)C(=O)c2ccccc21 ZINC000009236512 132310343 /nfs/dbraw/zinc/31/03/43/132310343.db2.gz IXVGIYJHYVSUCC-QGOAFFKASA-N 0 0 434.293 4.793 50 0 IJAARN COc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)cc1 ZINC000009273300 132312131 /nfs/dbraw/zinc/31/21/31/132312131.db2.gz NPXZPMKLBWWHMD-UHFFFAOYSA-N 0 0 428.540 4.575 50 0 IJAARN Cc1cccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000009289292 132312739 /nfs/dbraw/zinc/31/27/39/132312739.db2.gz BOEITEYTXAFBGV-UHFFFAOYSA-N 0 0 428.492 4.619 50 0 IJAARN Clc1cccc(-c2nc(N3CCC4(CC3)OCCO4)nc3c2COc2ccccc2-3)c1 ZINC000009289907 132312763 /nfs/dbraw/zinc/31/27/63/132312763.db2.gz RECBOLVPMQTVTB-UHFFFAOYSA-N 0 0 435.911 4.700 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccccc43)CC2)c(Cl)c1 ZINC000009405881 132315163 /nfs/dbraw/zinc/31/51/63/132315163.db2.gz JIEAXWNBGFFMLE-MRXNPFEDSA-N 0 0 427.932 4.706 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CC(=O)Nc2ccccc21 ZINC000009468301 132318501 /nfs/dbraw/zinc/31/85/01/132318501.db2.gz FWLVONNZUMRRMZ-UHFFFAOYSA-N 0 0 440.528 4.821 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)cc1 ZINC000009468571 132318524 /nfs/dbraw/zinc/31/85/24/132318524.db2.gz YPSRVNBEHQXKRB-HYBUGGRVSA-N 0 0 440.503 4.695 50 0 IJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CCOCC1 ZINC000009469216 132318676 /nfs/dbraw/zinc/31/86/76/132318676.db2.gz UMFLDBOURVOYJS-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009471051 132318765 /nfs/dbraw/zinc/31/87/65/132318765.db2.gz KTKCYPNALPXREU-UHFFFAOYSA-N 0 0 439.943 4.507 50 0 IJAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000009487674 132319045 /nfs/dbraw/zinc/31/90/45/132319045.db2.gz YIJITDIIDABSIO-LJQANCHMSA-N 0 0 447.535 4.672 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000009526214 132320301 /nfs/dbraw/zinc/32/03/01/132320301.db2.gz KMRGBIPYZOEYIF-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN COc1ccc(OC)c2c1CN(c1nc(C)nc3scc(-c4ccccc4)c31)C[C@@H]2O ZINC000009548068 132321189 /nfs/dbraw/zinc/32/11/89/132321189.db2.gz GNDOGVBCNWFFCO-SFHVURJKSA-N 0 0 433.533 4.738 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c(C)c1 ZINC000009569253 132321845 /nfs/dbraw/zinc/32/18/45/132321845.db2.gz OUFLFRHGSVKZSB-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)sc3c2c1 ZINC000009611179 132323452 /nfs/dbraw/zinc/32/34/52/132323452.db2.gz YMJFNPRTRLYGTQ-UHFFFAOYSA-N 0 0 432.545 4.895 50 0 IJAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)sc3c2c1 ZINC000009611181 132323489 /nfs/dbraw/zinc/32/34/89/132323489.db2.gz ZCUDRBWMJSSRAA-UHFFFAOYSA-N 0 0 438.936 4.932 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009634727 132324136 /nfs/dbraw/zinc/32/41/36/132324136.db2.gz XSEJOKNKBWELSQ-UHFFFAOYSA-N 0 0 427.570 4.742 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009673082 132325311 /nfs/dbraw/zinc/32/53/11/132325311.db2.gz BLTUFVWYQIFVPT-ILBGXUMGSA-N 0 0 448.494 4.966 50 0 IJAARN Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCc3ccco3)C2=O)c1 ZINC000009692945 132326171 /nfs/dbraw/zinc/32/61/71/132326171.db2.gz GAVYWFLWQYIGDV-FDDCHVKYSA-N 0 0 434.561 4.856 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000009716997 132327374 /nfs/dbraw/zinc/32/73/74/132327374.db2.gz TVWKQRCULKZDDE-UHFFFAOYSA-N 0 0 438.531 4.510 50 0 IJAARN Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)CCC3CCCC3)cc12 ZINC000009835046 132329724 /nfs/dbraw/zinc/32/97/24/132329724.db2.gz HFVLAMWLMCVGFU-UHFFFAOYSA-N 0 0 444.583 4.569 50 0 IJAARN CCCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1N1CCOCC1 ZINC000009907820 132331291 /nfs/dbraw/zinc/33/12/91/132331291.db2.gz LNUCYWODRJXYFO-UHFFFAOYSA-N 0 0 437.323 4.649 50 0 IJAARN Cc1ccc(CN2CCSc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc32)cc1 ZINC000009962466 132332825 /nfs/dbraw/zinc/33/28/25/132332825.db2.gz TZNLKJHILVVNLH-UHFFFAOYSA-N 0 0 432.545 4.766 50 0 IJAARN O=C1N(Cc2c(F)cccc2Cl)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 ZINC000010273495 132335356 /nfs/dbraw/zinc/33/53/56/132335356.db2.gz UCBCPLXNBDCMTH-UHFFFAOYSA-N 0 0 434.851 4.954 50 0 IJAARN O=C(CN1C(=O)CSc2ccccc21)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010695400 132336369 /nfs/dbraw/zinc/33/63/69/132336369.db2.gz YRSYGKWAGFQQNO-FQEVSTJZSA-N 0 0 441.556 4.555 50 0 IJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(N2CCCCC2)cc1 ZINC000013109765 132344609 /nfs/dbraw/zinc/34/46/09/132344609.db2.gz XXWAAOGWTYZISW-UHFFFAOYSA-N 0 0 433.581 4.866 50 0 IJAARN Cc1cccc(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C43SCCS3)CC2)c1C ZINC000013112454 132344821 /nfs/dbraw/zinc/34/48/21/132344821.db2.gz MQESBFQTTLZCJL-SEJPIABJSA-N 0 0 430.683 4.955 50 0 IJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2N2CCOCC2)c1 ZINC000013114842 132344898 /nfs/dbraw/zinc/34/48/98/132344898.db2.gz RRSUBHNBWMXQOV-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN Cc1csc2c1ncnc2N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000013703748 132353780 /nfs/dbraw/zinc/35/37/80/132353780.db2.gz QIHGHZIQHFLWSP-UHFFFAOYSA-N 0 0 437.516 4.538 50 0 IJAARN O=C(c1cc(-c2cccc3ccccc32)nc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000013986751 132355731 /nfs/dbraw/zinc/35/57/31/132355731.db2.gz RSRDMNUGSJEBPE-UHFFFAOYSA-N 0 0 445.526 4.807 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1C ZINC000014094225 132356044 /nfs/dbraw/zinc/35/60/44/132356044.db2.gz NEPQZHRONSYWHA-UHFFFAOYSA-N 0 0 449.624 4.759 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cn3nc(SCC(C)C)sc3=S)CC2)c(F)c1 ZINC000012561326 518350705 /nfs/dbraw/zinc/35/07/05/518350705.db2.gz NYIKBWYQNSOKQX-UHFFFAOYSA-N 0 0 440.635 4.544 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000012925703 518556914 /nfs/dbraw/zinc/55/69/14/518556914.db2.gz WFYDTAFHKNADRW-KRWDZBQOSA-N 0 0 445.606 4.976 50 0 IJAARN CC(C)(C)CC(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892174 518615340 /nfs/dbraw/zinc/61/53/40/518615340.db2.gz NBPOXVJDNRDSHT-UHFFFAOYSA-N 0 0 426.630 4.922 50 0 IJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000012653246 518805324 /nfs/dbraw/zinc/80/53/24/518805324.db2.gz OTAOUUCOAMABDT-HXUWFJFHSA-N 0 0 435.476 4.765 50 0 biogenic IJAARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)N1CCOCC1 ZINC000021486939 518913960 /nfs/dbraw/zinc/91/39/60/518913960.db2.gz VSLJBRUOVBWFNV-PDFOZTTASA-N 0 0 438.403 4.848 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cc(F)cc(F)c4)[nH]c(=O)c23)C1 ZINC000021352684 518945536 /nfs/dbraw/zinc/94/55/36/518945536.db2.gz LGMJTSUPISVVOS-GFCCVEGCSA-N 0 0 445.535 4.985 50 0 IJAARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000012619152 519013346 /nfs/dbraw/zinc/01/33/46/519013346.db2.gz HMHHNWRUYSEMOD-UHFFFAOYSA-N 0 0 446.341 4.891 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035399228 519043835 /nfs/dbraw/zinc/04/38/35/519043835.db2.gz VXEQQHGTDREVMX-UHFFFAOYSA-N 0 0 435.593 4.880 50 0 biogenic IJAARN CC(C)(C)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012754223 519058504 /nfs/dbraw/zinc/05/85/04/519058504.db2.gz XUEHOTKFOMZZPI-UHFFFAOYSA-N 0 0 428.598 4.730 50 0 IJAARN CC(C)(C)c1ncc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000065475657 519108475 /nfs/dbraw/zinc/10/84/75/519108475.db2.gz GBKVBUJBSFHODO-CQSZACIVSA-N 0 0 426.369 4.991 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cs1)c1cccc(Cl)c1 ZINC000012856718 519473389 /nfs/dbraw/zinc/47/33/89/519473389.db2.gz RPLNARLGVHCPHX-ZDLGFXPLSA-N 0 0 441.871 4.965 50 0 IJAARN CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009355218 519487001 /nfs/dbraw/zinc/48/70/01/519487001.db2.gz RSCWPFAAXXQOJZ-UHFFFAOYSA-N 0 0 437.931 4.608 50 0 IJAARN CC(C)N(C(=O)[C@H](C)Sc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)C(C)C ZINC000012858443 519573534 /nfs/dbraw/zinc/57/35/34/519573534.db2.gz MKELHYNYUIULOU-ZDUSSCGKSA-N 0 0 433.574 4.917 50 0 IJAARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@H]1COc1ccc(Cl)cc1Cl ZINC000021092272 519638306 /nfs/dbraw/zinc/63/83/06/519638306.db2.gz OVDPNURJMGLPTG-INIZCTEOSA-N 0 0 444.112 4.701 50 0 IJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NCc1ccc(-c4ccc(Cl)cc4)o1)(C3)C2 ZINC000018178080 519643199 /nfs/dbraw/zinc/64/31/99/519643199.db2.gz XHNJURPMCLGGBC-UPFYTXMWSA-N 0 0 426.944 4.691 50 0 IJAARN CC(C)CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1=O ZINC000035527194 519662545 /nfs/dbraw/zinc/66/25/45/519662545.db2.gz SSUXZXDYSMIVJT-UHFFFAOYSA-N 0 0 437.927 4.519 50 0 IJAARN CC(=O)Nc1cc(C(=O)N(C)Cc2ccsc2)cc2ncn(Cc3ccc(F)cc3)c21 ZINC000012167380 519703213 /nfs/dbraw/zinc/70/32/13/519703213.db2.gz VUODCYRQWSTQDI-UHFFFAOYSA-N 0 0 436.512 4.516 50 0 IJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)C1 ZINC000033035941 519710283 /nfs/dbraw/zinc/71/02/83/519710283.db2.gz ZIUYRFUARLRBSC-FQEVSTJZSA-N 0 0 447.501 4.933 50 0 IJAARN CC(C)CN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020559345 519719393 /nfs/dbraw/zinc/71/93/93/519719393.db2.gz ARGRYAOEGYWIMR-GOSISDBHSA-N 0 0 434.323 4.815 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000021109308 519722482 /nfs/dbraw/zinc/72/24/82/519722482.db2.gz PYRRTLGGIOULHR-UHFFFAOYSA-N 0 0 437.569 4.767 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000033012365 519722710 /nfs/dbraw/zinc/72/27/10/519722710.db2.gz FAGCATLIWMOUFN-UHFFFAOYSA-N 0 0 442.475 4.688 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000012389946 519723150 /nfs/dbraw/zinc/72/31/50/519723150.db2.gz MVYZJSNDVOVAAG-UHFFFAOYSA-N 0 0 435.427 4.848 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000021197950 519732373 /nfs/dbraw/zinc/73/23/73/519732373.db2.gz YRFGZMOXLWNPGH-QGZVFWFLSA-N 0 0 441.578 4.559 50 0 IJAARN CC(=O)Nc1ccc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2c1 ZINC000012908555 519734898 /nfs/dbraw/zinc/73/48/98/519734898.db2.gz QPMOVOCNAHZPIM-UHFFFAOYSA-N 0 0 430.327 4.688 50 0 IJAARN CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CN(C)CC3 ZINC000035427106 519736370 /nfs/dbraw/zinc/73/63/70/519736370.db2.gz HYKSXCJPHNJMKA-QHCPKHFHSA-N 0 0 434.609 4.797 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000023555571 519819969 /nfs/dbraw/zinc/81/99/69/519819969.db2.gz KYMGRLZBSPJQSH-ZMZPIMSZSA-N 0 0 429.294 4.903 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C2=O ZINC000021852187 519833750 /nfs/dbraw/zinc/83/37/50/519833750.db2.gz VKSKYCCAJJLCTH-XMMPIXPASA-N 0 0 442.991 4.524 50 0 IJAARN CC(C)c1nc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012075091 519858564 /nfs/dbraw/zinc/85/85/64/519858564.db2.gz YLBYYVUVYYRJJE-INIZCTEOSA-N 0 0 434.005 4.869 50 0 IJAARN CCCCC(=O)N1CCCN(c2nc([C@H](C)CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925892 519907138 /nfs/dbraw/zinc/90/71/38/519907138.db2.gz ONBBWROPEHQHQC-HXUWFJFHSA-N 0 0 448.615 4.948 50 0 IJAARN CCCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034905472 519913106 /nfs/dbraw/zinc/91/31/06/519913106.db2.gz JSQAWAFZCXKDLD-PMACEKPBSA-N 0 0 443.613 4.686 50 0 IJAARN CCCCCC(=O)NCCCNC(=O)c1csc(COc2cc(C)ccc2C(C)C)n1 ZINC000034906026 519930796 /nfs/dbraw/zinc/93/07/96/519930796.db2.gz WQMZIENWBONSDE-UHFFFAOYSA-N 0 0 445.629 4.970 50 0 IJAARN CCCCCCC(=O)Nc1ccc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC(C)C)cc1 ZINC000035729564 519958400 /nfs/dbraw/zinc/95/84/00/519958400.db2.gz BSHZDTYCFBVSFY-OAQYLSRUSA-N 0 0 431.602 4.682 50 0 IJAARN CCN(C(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1Cc1ccccc1)c1ccccc1 ZINC000012421538 520071750 /nfs/dbraw/zinc/07/17/50/520071750.db2.gz WVHOCICGLQBOJN-UHFFFAOYSA-N 0 0 436.515 4.673 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000035212984 520222329 /nfs/dbraw/zinc/22/23/29/520222329.db2.gz SYPVEOZFXDIRHN-LUAWRHEFSA-N 0 0 427.522 4.964 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)C(C)C ZINC000036051417 520371072 /nfs/dbraw/zinc/37/10/72/520371072.db2.gz OFDVOLNJBJAVKK-UHFFFAOYSA-N 0 0 438.959 4.944 50 0 IJAARN CCCOc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OCCC ZINC000023299267 520388967 /nfs/dbraw/zinc/38/89/67/520388967.db2.gz KNSLMAFUFJNPHO-UHFFFAOYSA-N 0 0 430.570 4.817 50 0 IJAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012710300 520463367 /nfs/dbraw/zinc/46/33/67/520463367.db2.gz AQCQPXBUOGZSGK-MRXNPFEDSA-N 0 0 442.478 4.842 50 0 IJAARN CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(C(=O)CSc1ccncc1)CCO2 ZINC000011909843 520522668 /nfs/dbraw/zinc/52/26/68/520522668.db2.gz XVMBFYQHWHMEND-RUZDIDTESA-N 0 0 434.561 4.721 50 0 IJAARN CCCCN(Cc1ccccc1)C(=O)CC[C@@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 ZINC000012098486 520543546 /nfs/dbraw/zinc/54/35/46/520543546.db2.gz RWHCDQSSQPJTGZ-AREMUKBSSA-N 0 0 440.559 4.635 50 0 IJAARN CCCSCCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810815 520562780 /nfs/dbraw/zinc/56/27/80/520562780.db2.gz MHDKEHJGASWVMQ-XMMPIXPASA-N 0 0 445.629 4.739 50 0 IJAARN CCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903504 520566578 /nfs/dbraw/zinc/56/65/78/520566578.db2.gz HTNAMRFLHSJJCG-AREMUKBSSA-N 0 0 439.600 4.894 50 0 IJAARN CCN(CC)C(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C ZINC000012217314 520566786 /nfs/dbraw/zinc/56/67/86/520566786.db2.gz AWLVZHYZUZVHRC-UHFFFAOYSA-N 0 0 438.597 4.642 50 0 IJAARN CC(C)(C)C(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000008762078 534508165 /nfs/dbraw/zinc/50/81/65/534508165.db2.gz TVSDOSQWEKQJDR-VWLOTQADSA-N 0 0 443.591 4.782 50 0 IJAARN CCCCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccsc21 ZINC000020516394 520700985 /nfs/dbraw/zinc/70/09/85/520700985.db2.gz ZAQHLYXETPTDJP-UHFFFAOYSA-N 0 0 429.571 4.507 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000012870275 520796154 /nfs/dbraw/zinc/79/61/54/520796154.db2.gz AUSGISBOPICJSN-CQSZACIVSA-N 0 0 434.945 4.608 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1cccc(C)c1C)CC2 ZINC000021043930 520799978 /nfs/dbraw/zinc/79/99/78/520799978.db2.gz CNYZLKZSJHIKCS-NRFANRHFSA-N 0 0 440.540 4.795 50 0 IJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000012441065 520809878 /nfs/dbraw/zinc/80/98/78/520809878.db2.gz MHOXSATZSXBOOE-UHFFFAOYSA-N 0 0 445.441 4.747 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N=Cc1c(C)nn(-c3ccc(Cl)cc3)c1O2 ZINC000012589234 520813657 /nfs/dbraw/zinc/81/36/57/520813657.db2.gz CGAMPUOLPYTBRM-UHFFFAOYSA-N 0 0 444.944 4.721 50 0 IJAARN CCOc1ccc(-n2c(C)nnc2SCc2nc(-c3ccccc3OCC)no2)cc1 ZINC000021168880 520833373 /nfs/dbraw/zinc/83/33/73/520833373.db2.gz YFNLXRKGBRJWOB-UHFFFAOYSA-N 0 0 437.525 4.715 50 0 IJAARN CCN(CC)c1cc(C(C)C)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 ZINC000036029268 520876974 /nfs/dbraw/zinc/87/69/74/520876974.db2.gz ARSNJWXVRKQLSU-FQEVSTJZSA-N 0 0 442.629 4.647 50 0 IJAARN CCCCOc1ccc(N[C@@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)cc1 ZINC000012410779 520889929 /nfs/dbraw/zinc/88/99/29/520889929.db2.gz UNSVRHWGVKLUIA-OAQYLSRUSA-N 0 0 438.446 4.529 50 0 IJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000018702107 520890003 /nfs/dbraw/zinc/89/00/03/520890003.db2.gz DFWCWTTUHXNXOP-UHFFFAOYSA-N 0 0 440.462 4.759 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)cc1 ZINC000021343562 520889849 /nfs/dbraw/zinc/88/98/49/520889849.db2.gz DTADATKGBPMRGZ-MHZLTWQESA-N 0 0 429.516 4.710 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936355 520893178 /nfs/dbraw/zinc/89/31/78/520893178.db2.gz XZXHEMLIBBOKKS-UZLBHIALSA-N 0 0 434.565 4.822 50 0 IJAARN CC1CCC(NC(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000012754712 520948170 /nfs/dbraw/zinc/94/81/70/520948170.db2.gz FVTPKODYAJLGSN-UHFFFAOYSA-N 0 0 433.624 4.641 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2C2CCCCC2)CC1 ZINC000021863576 520950203 /nfs/dbraw/zinc/95/02/03/520950203.db2.gz CWAREALUCNAABA-LJLLCPEMSA-N 0 0 437.584 4.990 50 0 IJAARN CCCC[C@@H](C(=O)OCC(C)C)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018141782 520986386 /nfs/dbraw/zinc/98/63/86/520986386.db2.gz WGRSPVHLKPWJFB-PKFSMUTISA-N 0 0 445.559 4.637 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021105561 521040709 /nfs/dbraw/zinc/04/07/09/521040709.db2.gz KFTRHVSFSWGIQY-FQEVSTJZSA-N 0 0 435.352 4.947 50 0 IJAARN 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COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)C(C)C)cc1 ZINC000036040839 523327393 /nfs/dbraw/zinc/32/73/93/523327393.db2.gz QGBNLTKUGSRYER-UHFFFAOYSA-N 0 0 448.567 4.627 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(Br)cc2)cc1 ZINC000020892882 523344817 /nfs/dbraw/zinc/34/48/17/523344817.db2.gz WXNDDDASBCZTEC-LJQANCHMSA-N 0 0 444.354 4.727 50 0 IJAARN COc1ccc(/C=C/c2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)cc1OC ZINC000012565731 523408044 /nfs/dbraw/zinc/40/80/44/523408044.db2.gz UGADBSOMOKFVIC-YRNVUSSQSA-N 0 0 444.578 4.659 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035873038 523422222 /nfs/dbraw/zinc/42/22/22/523422222.db2.gz SDNJILXYWWIGHH-HSZRJFAPSA-N 0 0 430.504 4.647 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909355 523422510 /nfs/dbraw/zinc/42/25/10/523422510.db2.gz CKHIYCGFPHDCGW-HSZRJFAPSA-N 0 0 432.495 4.820 50 0 IJAARN CC[C@@H]1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c2ccccc2S1 ZINC000020978268 523461787 /nfs/dbraw/zinc/46/17/87/523461787.db2.gz YZRLVWFFSUHBAB-MRXNPFEDSA-N 0 0 430.551 4.738 50 0 IJAARN COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000021141235 523481166 /nfs/dbraw/zinc/48/11/66/523481166.db2.gz OIZQYMPQOAGEKB-CYBMUJFWSA-N 0 0 428.282 4.795 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012520179 523496994 /nfs/dbraw/zinc/49/69/94/523496994.db2.gz XZTOGYUHROZIMA-UHFFFAOYSA-N 0 0 434.721 4.773 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1oc2c(c1C)-c1nc(C)sc1CC2 ZINC000015869970 523499490 /nfs/dbraw/zinc/49/94/90/523499490.db2.gz JPQRSBGDRAZSER-UHFFFAOYSA-N 0 0 447.354 4.820 50 0 IJAARN CCn1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)c2ccccc2c1=O ZINC000002645707 523615878 /nfs/dbraw/zinc/61/58/78/523615878.db2.gz QMBXVLAWIVLNQI-UHFFFAOYSA-N 0 0 449.869 4.692 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(OC)c2)cc1 ZINC000017196242 523616776 /nfs/dbraw/zinc/61/67/76/523616776.db2.gz BJINRMYZZDUDAO-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CN(c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1)S(C)(=O)=O ZINC000012628733 523647088 /nfs/dbraw/zinc/64/70/88/523647088.db2.gz OGJBWNIUYBRGTB-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000012291854 523649408 /nfs/dbraw/zinc/64/94/08/523649408.db2.gz ZIDHNVHLQLQZDY-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN CC[C@@](O)(c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868674 523690029 /nfs/dbraw/zinc/69/00/29/523690029.db2.gz ISPPOPNUNDOMIR-LEWJYISDSA-N 0 0 438.793 4.816 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)NCc2ccc(C)cc2)cc1 ZINC000033275968 523713163 /nfs/dbraw/zinc/71/31/63/523713163.db2.gz XEFAZLFSRJAISI-UHFFFAOYSA-N 0 0 432.553 4.776 50 0 IJAARN CN1C(=O)Cc2cc(C(=O)CSc3nc4ccccc4n3CCc3ccccc3)ccc21 ZINC000012550831 523713646 /nfs/dbraw/zinc/71/36/46/523713646.db2.gz GSEOSOPMSDXUQK-UHFFFAOYSA-N 0 0 441.556 4.773 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)C1CC1 ZINC000035976209 523738249 /nfs/dbraw/zinc/73/82/49/523738249.db2.gz CHYGAYZLJVYJHS-UHFFFAOYSA-N 0 0 441.478 4.636 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1 ZINC000012224313 523831689 /nfs/dbraw/zinc/83/16/89/523831689.db2.gz TWVQABVSLKTBCV-UHFFFAOYSA-N 0 0 447.539 4.557 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780775 523834192 /nfs/dbraw/zinc/83/41/92/523834192.db2.gz PLFZQWQVIPNSTO-CLOONOSVSA-N 0 0 441.535 4.615 50 0 IJAARN CCc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)s2)cc1 ZINC000022357548 523860130 /nfs/dbraw/zinc/86/01/30/523860130.db2.gz PEADUJDWWBKUCT-IBGZPJMESA-N 0 0 441.622 4.546 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000012540671 523867110 /nfs/dbraw/zinc/86/71/10/523867110.db2.gz QJBVTEFDQVLBEI-HDICACEKSA-N 0 0 435.597 4.773 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCSc4ccccc43)[C@@H](c3ccco3)C2)cc1 ZINC000023814471 523877412 /nfs/dbraw/zinc/87/74/12/523877412.db2.gz YYPYZURQAORUGO-OAQYLSRUSA-N 0 0 433.533 4.578 50 0 IJAARN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000252514940 523902627 /nfs/dbraw/zinc/90/26/27/523902627.db2.gz FIFZLXLLQBVZQJ-KHYOSLBOSA-N 0 0 436.861 4.726 50 0 IJAARN COc1ccc(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1OC ZINC000012759266 523903164 /nfs/dbraw/zinc/90/31/64/523903164.db2.gz SBVZYYZZBPQGFO-KTVWHRCTSA-N 0 0 443.543 4.668 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)cc1 ZINC000034733975 523908956 /nfs/dbraw/zinc/90/89/56/523908956.db2.gz GNFVQAAXWCQJOC-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN COc1ccc(CCN(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)cc1OC ZINC000020998269 523940837 /nfs/dbraw/zinc/94/08/37/523940837.db2.gz CTOIXKUPEQGDSE-UHFFFAOYSA-N 0 0 435.568 4.930 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000021156695 523986889 /nfs/dbraw/zinc/98/68/89/523986889.db2.gz LFNQQEQXPIUVDL-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000014427887 524065933 /nfs/dbraw/zinc/06/59/33/524065933.db2.gz WWVCWDLZDQSQHU-UHFFFAOYSA-N 0 0 445.972 4.944 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)c2cc(COc3cccc4cnccc43)on2)c1 ZINC000012300846 524116686 /nfs/dbraw/zinc/11/66/86/524116686.db2.gz HRGCGGQQIJDGII-QHCPKHFHSA-N 0 0 429.476 4.788 50 0 IJAARN COc1ccc(COC[C@H](O)Cn2c3ccccc3nc2[C@H](C)Oc2ccccc2)cc1 ZINC000012506871 524116759 /nfs/dbraw/zinc/11/67/59/524116759.db2.gz PPKDLALMYMYESJ-PZJWPPBQSA-N 0 0 432.520 4.763 50 0 IJAARN Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)c1 ZINC000035460582 524118192 /nfs/dbraw/zinc/11/81/92/524118192.db2.gz FZSZTECXGFXCEY-UHFFFAOYSA-N 0 0 429.524 4.854 50 0 IJAARN Cc1cccc(-n2cc(CN3CCN(c4ccccn4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012835765 524144973 /nfs/dbraw/zinc/14/49/73/524144973.db2.gz HYEWJEWBPMYXKI-UHFFFAOYSA-N 0 0 427.527 4.704 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n[nH]1 ZINC000012799712 524190198 /nfs/dbraw/zinc/19/01/98/524190198.db2.gz VPXVANSGROCJKH-ZDUSSCGKSA-N 0 0 428.945 4.594 50 0 IJAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000015618376 524191393 /nfs/dbraw/zinc/19/13/93/524191393.db2.gz IDWABLBHHPRTIZ-STQMWFEESA-N 0 0 442.915 4.822 50 0 IJAARN Cc1ccc(C)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)c1 ZINC000036062704 524208434 /nfs/dbraw/zinc/20/84/34/524208434.db2.gz DRGHUXISHWSAHR-OXJNMPFZSA-N 0 0 431.374 4.698 50 0 IJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000033059956 524218008 /nfs/dbraw/zinc/21/80/08/524218008.db2.gz HJDUSWRGHRIXPL-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN COc1cccc2c1OCCCN(Cc1nc(-c3cc4c(cc3Cl)OCO4)oc1C)C2 ZINC000020449870 524233529 /nfs/dbraw/zinc/23/35/29/524233529.db2.gz KYHVRXNVRDEICX-UHFFFAOYSA-N 0 0 442.899 4.825 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccccc31)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000012193337 524247365 /nfs/dbraw/zinc/24/73/65/524247365.db2.gz YBCHQPJTKSIVRH-RDPSFJRHSA-N 0 0 431.879 4.697 50 0 IJAARN Cc1cccc(C)c1N(C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1nc2ccccc2s1 ZINC000012542706 524263887 /nfs/dbraw/zinc/26/38/87/524263887.db2.gz HQIVADZLMNZRML-ROUUACIJSA-N 0 0 445.544 4.529 50 0 IJAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4cc(F)cc(F)c4)c3c2=O)cc1 ZINC000035372027 524264120 /nfs/dbraw/zinc/26/41/20/524264120.db2.gz IZMGXNBVZYMNOW-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN COc1ccccc1-c1cc(CN(CC(C)C)S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000036004780 524267787 /nfs/dbraw/zinc/26/77/87/524267787.db2.gz TWIPAEVDMDHOHO-UHFFFAOYSA-N 0 0 434.945 4.851 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020729179 524275506 /nfs/dbraw/zinc/27/55/06/524275506.db2.gz CLZVNCMYNAXIBG-INIZCTEOSA-N 0 0 430.386 4.749 50 0 IJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000012898467 524287584 /nfs/dbraw/zinc/28/75/84/524287584.db2.gz OMXWDHRZXHRBOL-HSZRJFAPSA-N 0 0 439.515 4.861 50 0 IJAARN COc1ccccc1-n1c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615112 524302224 /nfs/dbraw/zinc/30/22/24/524302224.db2.gz DMBDYVRNIKMRAF-UHFFFAOYSA-N 0 0 445.422 4.843 50 0 IJAARN C[C@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021863920 524312322 /nfs/dbraw/zinc/31/23/22/524312322.db2.gz HGEOGQCJLDWETJ-WINIVTDRSA-N 0 0 445.563 4.825 50 0 IJAARN C[C@@H](C1CC1)N(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012785508 524320155 /nfs/dbraw/zinc/32/01/55/524320155.db2.gz IBCKJEBNSDZDKF-LBPRGKRZSA-N 0 0 427.353 4.665 50 0 IJAARN Cc1cc(C)c2c(=O)cc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)[nH]c2c1 ZINC000021098867 524342096 /nfs/dbraw/zinc/34/20/96/524342096.db2.gz XRORXDHFQQYMMT-UHFFFAOYSA-N 0 0 437.590 4.624 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)c1ccc(C(C)C)cc1 ZINC000012554999 524349045 /nfs/dbraw/zinc/34/90/45/524349045.db2.gz KVQPQVCSYNBVPH-UHFFFAOYSA-N 0 0 437.565 4.761 50 0 IJAARN Cc1cccc(CCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)c1 ZINC000020727952 524355297 /nfs/dbraw/zinc/35/52/97/524355297.db2.gz FNSVPTWYMJDCQW-JLPGSUDCSA-N 0 0 446.547 4.973 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC ZINC000035925165 524361087 /nfs/dbraw/zinc/36/10/87/524361087.db2.gz AOSCJCRPJYUXHI-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@H](c2ccc3nccnc3c2)C1 ZINC000012422081 524371904 /nfs/dbraw/zinc/37/19/04/524371904.db2.gz VZANZPJMZJALSI-QHCPKHFHSA-N 0 0 426.451 4.769 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000021808787 524402882 /nfs/dbraw/zinc/40/28/82/524402882.db2.gz ZYZGGXGQNFAIOT-MWWFNGASSA-N 0 0 439.581 4.651 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)[C@@H]1C ZINC000020240661 524406198 /nfs/dbraw/zinc/40/61/98/524406198.db2.gz PMRQHTRWENQZKG-LBTNJELSSA-N 0 0 443.487 4.827 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871872 524417927 /nfs/dbraw/zinc/41/79/27/524417927.db2.gz ADXHWHNXIYLIKJ-TZIWHRDSSA-N 0 0 432.486 4.604 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021855669 524432227 /nfs/dbraw/zinc/43/22/27/524432227.db2.gz MLYHEVVQMZJOHG-HHHXNRCGSA-N 0 0 429.564 4.813 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021811232 524432602 /nfs/dbraw/zinc/43/26/02/524432602.db2.gz FKMQTRPFDWUEJC-QRRVGDGBSA-N 0 0 433.552 4.652 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021863730 524435227 /nfs/dbraw/zinc/43/52/27/524435227.db2.gz AHYMISVAXQBNNK-AREMUKBSSA-N 0 0 431.536 4.530 50 0 IJAARN COc1ccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)cc1Cl ZINC000011867227 524472235 /nfs/dbraw/zinc/47/22/35/524472235.db2.gz XQVMXHXLRKLALN-UHFFFAOYSA-N 0 0 425.916 4.504 50 0 IJAARN Cc1ccc(CN2C[C@H](C(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)CC2=O)cc1 ZINC000022402163 524481853 /nfs/dbraw/zinc/48/18/53/524481853.db2.gz BTHPDFPQXUYERF-QGZVFWFLSA-N 0 0 430.533 4.587 50 0 IJAARN COc1ccc(NC(=O)CCc2nc(CSc3nc4cc(Cl)ccc4o3)no2)cc1 ZINC000021721451 524487152 /nfs/dbraw/zinc/48/71/52/524487152.db2.gz DUPNNXSQKRASMR-UHFFFAOYSA-N 0 0 444.900 4.736 50 0 IJAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000035910503 524534207 /nfs/dbraw/zinc/53/42/07/524534207.db2.gz GIRGHBIMYGCNEM-QFIPXVFZSA-N 0 0 442.537 4.714 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000021811196 524534798 /nfs/dbraw/zinc/53/47/98/524534798.db2.gz HELZKSXTUDWZRA-CMPWMSKVSA-N 0 0 433.552 4.965 50 0 IJAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(C)c(C)c2)=N3)cc1 ZINC000020578465 524541779 /nfs/dbraw/zinc/54/17/79/524541779.db2.gz DLAKEPDHWWEAKF-UHFFFAOYSA-N 0 0 436.581 4.900 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)cc1 ZINC000035527494 524549797 /nfs/dbraw/zinc/54/97/97/524549797.db2.gz PMBIJLNLKDOQJQ-QHCPKHFHSA-N 0 0 427.548 4.534 50 0 IJAARN Cc1ccc(CNC(=O)c2nnc(CNC(c3ccccc3)c3ccccc3)s2)cc1 ZINC000012762993 524567286 /nfs/dbraw/zinc/56/72/86/524567286.db2.gz UGQUAHHOSMWAKS-UHFFFAOYSA-N 0 0 428.561 4.656 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccsc2)n1 ZINC000035171205 524575428 /nfs/dbraw/zinc/57/54/28/524575428.db2.gz GQLBHUYYZMCZFQ-HXUWFJFHSA-N 0 0 433.562 4.782 50 0 IJAARN C[C@@H](CN(C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600792 524577492 /nfs/dbraw/zinc/57/74/92/524577492.db2.gz LNSLGMLKPKSAQM-KRWDZBQOSA-N 0 0 431.005 4.631 50 0 IJAARN COc1ccccc1NC(=O)N1CCC2(CC1)N=C(SC)C(c1ccc(Cl)cc1)=N2 ZINC000020578318 524611128 /nfs/dbraw/zinc/61/11/28/524611128.db2.gz JRMXLDKYZPKLSC-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN COc1ccccc1NC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C ZINC000020762717 524631651 /nfs/dbraw/zinc/63/16/51/524631651.db2.gz RQCSIUFJZLRUTE-UHFFFAOYSA-N 0 0 430.533 4.823 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1C ZINC000021795609 524643747 /nfs/dbraw/zinc/64/37/47/524643747.db2.gz PAROBEOFWFMBTE-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN COc1ccc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C(F)(F)F)cc1 ZINC000033039936 524650579 /nfs/dbraw/zinc/65/05/79/524650579.db2.gz BQYICCLRALXABI-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN COc1ccccc1Oc1ccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1 ZINC000012734438 524696598 /nfs/dbraw/zinc/69/65/98/524696598.db2.gz JEGOSJHJLCKRSB-RUZDIDTESA-N 0 0 432.520 4.810 50 0 IJAARN COc1ccccc1[C@@H](CNC(=O)CCCSc1nc2ccccc2s1)N(C)C ZINC000012737970 524729416 /nfs/dbraw/zinc/72/94/16/524729416.db2.gz FNJIOXMDXIKLHY-GOSISDBHSA-N 0 0 429.611 4.596 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000012649804 524740470 /nfs/dbraw/zinc/74/04/70/524740470.db2.gz AYHWQUXYGANDNB-LWYUSKRHSA-N 0 0 449.780 4.937 50 0 IJAARN Cc1ccc(Cn2cc(CCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1 ZINC000020515624 524772611 /nfs/dbraw/zinc/77/26/11/524772611.db2.gz OGBYAAHQQWCFRW-UHFFFAOYSA-N 0 0 426.516 4.976 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000012860722 524785593 /nfs/dbraw/zinc/78/55/93/524785593.db2.gz PPAGDAGGNOMNME-PXNSSMCTSA-N 0 0 428.554 4.556 50 0 IJAARN COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 ZINC000012848986 524817019 /nfs/dbraw/zinc/81/70/19/524817019.db2.gz WCPXDXZNZDZBFN-MJGOQNOKSA-N 0 0 448.420 4.621 50 0 IJAARN COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000021795493 524862208 /nfs/dbraw/zinc/86/22/08/524862208.db2.gz YMJPDUBCXJVGIQ-UHFFFAOYSA-N 0 0 448.527 4.790 50 0 IJAARN COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c1 ZINC000021788134 524918269 /nfs/dbraw/zinc/91/82/69/524918269.db2.gz LABDPRILIIRCKI-OAQYLSRUSA-N 0 0 443.956 4.934 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021850984 524928333 /nfs/dbraw/zinc/92/83/33/524928333.db2.gz JGXHIAPIWBVPPX-SANMLTNESA-N 0 0 446.551 4.628 50 0 IJAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccc(Br)cc4)n3c12 ZINC000011903181 524929121 /nfs/dbraw/zinc/92/91/21/524929121.db2.gz IPZLJPYVNWRPMT-UHFFFAOYSA-N 0 0 441.354 4.993 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000021862681 524930536 /nfs/dbraw/zinc/93/05/36/524930536.db2.gz KQVSVNNIMJBBFK-HHHXNRCGSA-N 0 0 444.579 4.533 50 0 IJAARN Cc1ccc(N2C3=C(C(=O)OC3)[C@@H](c3ccc(OCc4ccccc4)cc3)CC2=O)cc1 ZINC000035143114 524934195 /nfs/dbraw/zinc/93/41/95/524934195.db2.gz ODJCSOPAPWZKHB-HSZRJFAPSA-N 0 0 425.484 4.905 50 0 IJAARN C[C@H]1C[C@H](Sc2nnc(-c3ccccc3Br)n2Cc2ccccc2)C(=O)O1 ZINC000012587031 524938330 /nfs/dbraw/zinc/93/83/30/524938330.db2.gz AXQNEQICQSWDJY-GUYCJALGSA-N 0 0 444.354 4.552 50 0 IJAARN COc1ccc(OCCN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000012815756 524951702 /nfs/dbraw/zinc/95/17/02/524951702.db2.gz ZYPWUMNQRNDMFU-UHFFFAOYSA-N 0 0 443.499 4.928 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000033262622 524988413 /nfs/dbraw/zinc/98/84/13/524988413.db2.gz VLWFOCLIIUGBNC-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)[C@@H](c1ccccc1)N1CCOCC1 ZINC000012781435 524991927 /nfs/dbraw/zinc/99/19/27/524991927.db2.gz NFNIPJBICOBPEU-PPHZAIPVSA-N 0 0 428.532 4.707 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc3ncccc32)c1 ZINC000012599482 524995341 /nfs/dbraw/zinc/99/53/41/524995341.db2.gz INUZYVJMXWTFKV-KRWDZBQOSA-N 0 0 443.528 4.627 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCc1[nH]nc2c1CCCC2 ZINC000012430066 525034379 /nfs/dbraw/zinc/03/43/79/525034379.db2.gz CIDRVLZZSDLBFR-QFIPXVFZSA-N 0 0 431.584 4.545 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2cccc(F)c2)cc1 ZINC000012321186 525092709 /nfs/dbraw/zinc/09/27/09/525092709.db2.gz NWKOTBDQMODMRQ-UHFFFAOYSA-N 0 0 444.528 4.919 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2F)cc1 ZINC000012390066 525093143 /nfs/dbraw/zinc/09/31/43/525093143.db2.gz JORZUWSFNQRNFE-UHFFFAOYSA-N 0 0 444.528 4.919 50 0 IJAARN COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc21 ZINC000001111284 525095570 /nfs/dbraw/zinc/09/55/70/525095570.db2.gz PPKLFISYXDXUFZ-UHFFFAOYSA-N 0 0 446.551 4.661 50 0 IJAARN Cc1cc(NC(=O)CC2CCCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011841 525120579 /nfs/dbraw/zinc/12/05/79/525120579.db2.gz JPUZWGUAEGQBHR-UHFFFAOYSA-N 0 0 449.946 4.872 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526629 525135476 /nfs/dbraw/zinc/13/54/76/525135476.db2.gz UYRZWKPUEMDDMJ-AREMUKBSSA-N 0 0 433.552 4.796 50 0 IJAARN Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442032 525152385 /nfs/dbraw/zinc/15/23/85/525152385.db2.gz XIYKCHHQPGDGTB-UHFFFAOYSA-N 0 0 426.448 4.600 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OCc1cc(=O)n2ccccc2n1 ZINC000033067816 525186013 /nfs/dbraw/zinc/18/60/13/525186013.db2.gz RYMKFRYIQRTLND-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1Cl ZINC000021156594 525187576 /nfs/dbraw/zinc/18/75/76/525187576.db2.gz XJFXXXSHVWFXMA-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000020903020 525196586 /nfs/dbraw/zinc/19/65/86/525196586.db2.gz SJDMZBIJJYLVKO-RUZDIDTESA-N 0 0 435.955 4.768 50 0 IJAARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000022609424 525214766 /nfs/dbraw/zinc/21/47/66/525214766.db2.gz DEZMOXDFNQNIBK-NRFANRHFSA-N 0 0 434.565 4.549 50 0 IJAARN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441826 525249610 /nfs/dbraw/zinc/24/96/10/525249610.db2.gz WUPRWJYLGCXLRR-UHFFFAOYSA-N 0 0 438.896 4.939 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3ccccc3s2)c1 ZINC000012536183 525272661 /nfs/dbraw/zinc/27/26/61/525272661.db2.gz NFCWPBRUXHOOHM-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)nc(C)n2)cc1 ZINC000021795368 525323103 /nfs/dbraw/zinc/32/31/03/525323103.db2.gz PKLNLEKSUAWEPY-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000012820987 525352618 /nfs/dbraw/zinc/35/26/18/525352618.db2.gz LONBEWPPBNICRX-WIYYLYMNSA-N 0 0 441.531 4.707 50 0 IJAARN Cc1cc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)cc1Cl ZINC000019646582 525397444 /nfs/dbraw/zinc/39/74/44/525397444.db2.gz ZIBBRCSKDQTXDU-UHFFFAOYSA-N 0 0 447.815 4.770 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc(C(C)=O)c2)cc1 ZINC000012558178 525406149 /nfs/dbraw/zinc/40/61/49/525406149.db2.gz MJDSSBXLIYBLKT-RUZDIDTESA-N 0 0 427.504 4.688 50 0 IJAARN Cc1cc(Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)nc(C)n1 ZINC000012863968 525444255 /nfs/dbraw/zinc/44/42/55/525444255.db2.gz DLSHNRTVMVOJDV-UHFFFAOYSA-N 0 0 442.342 4.907 50 0 IJAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)nc12 ZINC000021099870 525459367 /nfs/dbraw/zinc/45/93/67/525459367.db2.gz SEHFTDXYIWXENN-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(F)cc3F)nc12 ZINC000015865418 525460333 /nfs/dbraw/zinc/46/03/33/525460333.db2.gz YKTFRUXBBQXNEX-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(Cl)cc3)nc12 ZINC000021099765 525460679 /nfs/dbraw/zinc/46/06/79/525460679.db2.gz JEEDUWMERNNRHO-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035684859 525509349 /nfs/dbraw/zinc/50/93/49/525509349.db2.gz ZPSQVDLRZKQAFA-INIZCTEOSA-N 0 0 430.386 4.929 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1C ZINC000021940036 525535988 /nfs/dbraw/zinc/53/59/88/525535988.db2.gz FKLQHYKNSBIKIW-KRWDZBQOSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1cc([C@H]2C[C@H](C(=O)NCc3ccco3)CN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000034716307 525552336 /nfs/dbraw/zinc/55/23/36/525552336.db2.gz OGHOWDDAFBFXQQ-PMACEKPBSA-N 0 0 435.499 4.681 50 0 IJAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)sc2nc(-c3ccco3)nc(C)c12 ZINC000012874854 525554175 /nfs/dbraw/zinc/55/41/75/525554175.db2.gz RJPJJCVCQPQRNJ-UHFFFAOYSA-N 0 0 448.548 4.896 50 0 IJAARN Cc1ccn(-c2ccc(NC(=O)c3cc(-c4cccs4)nc4c3c(C)nn4C)cc2)n1 ZINC000036616467 525557060 /nfs/dbraw/zinc/55/70/60/525557060.db2.gz JIQFDAVTEZLZRZ-UHFFFAOYSA-N 0 0 428.521 4.752 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)c4ccc(Cl)cc4)ccc3C)nc2c1 ZINC000033068048 525606258 /nfs/dbraw/zinc/60/62/58/525606258.db2.gz POLWWNXPEPLHGT-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN COc1ccc2cc(C(=O)NCc3ccc4c(c3)N(C(=O)c3ccccc3C)CC4)[nH]c2c1 ZINC000035561876 525622439 /nfs/dbraw/zinc/62/24/39/525622439.db2.gz MDORLINOOZTMBX-UHFFFAOYSA-N 0 0 439.515 4.618 50 0 IJAARN Cc1c(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)sc2cccc(F)c12 ZINC000018948559 525651146 /nfs/dbraw/zinc/65/11/46/525651146.db2.gz JIKXEOYWJZHBCS-UHFFFAOYSA-N 0 0 438.480 4.820 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3F)sc2c1 ZINC000021660571 525656510 /nfs/dbraw/zinc/65/65/10/525656510.db2.gz PBILBPKDMXUHES-AWEZNQCLSA-N 0 0 426.448 4.551 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3F)sc2c1 ZINC000021660570 525657540 /nfs/dbraw/zinc/65/75/40/525657540.db2.gz PBILBPKDMXUHES-CQSZACIVSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1cc2n(n1)c(=O)cc(C)n2CC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1 ZINC000012895590 525662978 /nfs/dbraw/zinc/66/29/78/525662978.db2.gz DYFSJSLPRFSKEO-UHFFFAOYSA-N 0 0 432.549 4.520 50 0 IJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000253387628 525672684 /nfs/dbraw/zinc/67/26/84/525672684.db2.gz IRJCEXLTHBXXSW-IYARVYRRSA-N 0 0 443.540 4.955 50 0 biogenic IJAARN Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)c(C)c1 ZINC000012604633 525673341 /nfs/dbraw/zinc/67/33/41/525673341.db2.gz NRYNNLZOCWOIFA-UHFFFAOYSA-N 0 0 440.546 4.700 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3ccc(C)cc3C)cc(=O)n2o1 ZINC000035429407 525675346 /nfs/dbraw/zinc/67/53/46/525675346.db2.gz GETGEMHZRNKSDP-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1c(C)n(-c2cc(Cl)ccc2C)c2ncn(CCC(=O)NC3CCCCC3)c(=O)c12 ZINC000032999298 525676848 /nfs/dbraw/zinc/67/68/48/525676848.db2.gz AYRAVIKEJAVIGK-UHFFFAOYSA-N 0 0 440.975 4.605 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccc(Cl)nc2)c1S(=O)(=O)c1ccccc1 ZINC000012389809 525681437 /nfs/dbraw/zinc/68/14/37/525681437.db2.gz QUVPTZGLGFAJMY-UHFFFAOYSA-N 0 0 431.945 4.819 50 0 IJAARN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012783149 525713622 /nfs/dbraw/zinc/71/36/22/525713622.db2.gz BKXJBSIOVKFBJR-MNOVXSKESA-N 0 0 438.534 4.606 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c3ccccc3n2)cc1 ZINC000022896999 525723420 /nfs/dbraw/zinc/72/34/20/525723420.db2.gz MITKZCDLYYQFAK-UHFFFAOYSA-N 0 0 439.515 4.838 50 0 IJAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000012687508 525729621 /nfs/dbraw/zinc/72/96/21/525729621.db2.gz FZOLGFVSSCXJCG-QHCPKHFHSA-N 0 0 443.478 4.941 50 0 IJAARN COc1cccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)c1 ZINC000012934704 525740663 /nfs/dbraw/zinc/74/06/63/525740663.db2.gz HIODJRDHVXEFRI-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 IJAARN CSCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)o1 ZINC000012936443 525765592 /nfs/dbraw/zinc/76/55/92/525765592.db2.gz YBRKFEOAHKWPSF-LBPRGKRZSA-N 0 0 436.609 4.526 50 0 IJAARN Cc1ccnn1CC(=O)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2C2CCC2)CC1 ZINC000012151345 525774430 /nfs/dbraw/zinc/77/44/30/525774430.db2.gz HPMFHSSPNQCOGP-UHFFFAOYSA-N 0 0 445.489 4.691 50 0 IJAARN Cc1ccnn1C[C@H](C)CNC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020615947 525776754 /nfs/dbraw/zinc/77/67/54/525776754.db2.gz ZATYTNQDTRMATJ-CYBMUJFWSA-N 0 0 447.486 4.677 50 0 IJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000021656737 525778946 /nfs/dbraw/zinc/77/89/46/525778946.db2.gz YILPVNCXNQMIQG-UHFFFAOYSA-N 0 0 431.517 4.632 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000012622340 525787778 /nfs/dbraw/zinc/78/77/78/525787778.db2.gz VKORBIJJSQGBMO-QGZVFWFLSA-N 0 0 428.558 4.799 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021810482 525792852 /nfs/dbraw/zinc/79/28/52/525792852.db2.gz OZSWUDUEQUHNBD-DEOSSOPVSA-N 0 0 439.943 4.751 50 0 IJAARN COc1cccc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1 ZINC000012386818 525794789 /nfs/dbraw/zinc/79/47/89/525794789.db2.gz SGXOHEWODGPBQX-UHFFFAOYSA-N 0 0 448.607 4.809 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)cc1F ZINC000035460373 525795477 /nfs/dbraw/zinc/79/54/77/525795477.db2.gz HIOGBXNDCQNLNU-UHFFFAOYSA-N 0 0 433.487 4.603 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)c3n2CCCCC3)cc1 ZINC000020510112 525798747 /nfs/dbraw/zinc/79/87/47/525798747.db2.gz ZGSFDYZBTJJIAB-UHFFFAOYSA-N 0 0 428.580 4.543 50 0 IJAARN COc1cccc(C(=O)Nc2c(S(=O)(=O)c3ccc(F)cc3)c(C)c(C)n2C(C)C)c1 ZINC000012408592 525832402 /nfs/dbraw/zinc/83/24/02/525832402.db2.gz WOGUVTMFGVOZQJ-UHFFFAOYSA-N 0 0 444.528 4.919 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 ZINC000001122295 525834549 /nfs/dbraw/zinc/83/45/49/525834549.db2.gz VSAFJWPYCKXIPE-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN Cc1ccc(-c2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c3c2CCCC3)cc1 ZINC000020463894 525841030 /nfs/dbraw/zinc/84/10/30/525841030.db2.gz HJXLYRADFCKADD-UHFFFAOYSA-N 0 0 425.891 4.529 50 0 IJAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000032952877 525861372 /nfs/dbraw/zinc/86/13/72/525861372.db2.gz DFXBBBIZWDDTRT-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN COc1cccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)C[C@@H]2C)c1 ZINC000034812618 525868752 /nfs/dbraw/zinc/86/87/52/525868752.db2.gz UWVPOYKDMCFFML-IBGZPJMESA-N 0 0 441.531 4.655 50 0 IJAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1=O ZINC000012871529 525903557 /nfs/dbraw/zinc/90/35/57/525903557.db2.gz YHMSNUDCNDSTOS-DEOSSOPVSA-N 0 0 449.894 4.538 50 0 IJAARN C[C@@]12COc3c(Br)cc(Br)cc3[C@@H]1c1sc(=O)[nH]c1SC2 ZINC000012402615 525916335 /nfs/dbraw/zinc/91/63/35/525916335.db2.gz AYCROMNCFXIXCY-OTYXRUKQSA-N 0 0 449.189 4.598 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3ccccc3F)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000035529132 525924214 /nfs/dbraw/zinc/92/42/14/525924214.db2.gz CWJHFOHYXJKQAC-NRFANRHFSA-N 0 0 436.458 4.809 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc4c3CCCC4)ccc2=O)cc1C ZINC000033039771 525929791 /nfs/dbraw/zinc/92/97/91/525929791.db2.gz VCSUYJVPRAWVDV-SFHVURJKSA-N 0 0 433.577 4.847 50 0 IJAARN Cc1cn2c(nc(COc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2=O)s1 ZINC000041085621 525941885 /nfs/dbraw/zinc/94/18/85/525941885.db2.gz AWARNIWLCKUPRH-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012436394 525950812 /nfs/dbraw/zinc/95/08/12/525950812.db2.gz HKFFNOZXSQNPAB-QGZVFWFLSA-N 0 0 425.916 4.618 50 0 IJAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cc(C)cc(C)c3)C2)c1 ZINC000012611890 525968192 /nfs/dbraw/zinc/96/81/92/525968192.db2.gz OOINVWVSFQMMDK-JOCHJYFZSA-N 0 0 436.596 4.580 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)c1 ZINC000035181088 526006408 /nfs/dbraw/zinc/00/64/08/526006408.db2.gz NJWNNKAXRGUZRV-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000012784328 526010851 /nfs/dbraw/zinc/01/08/51/526010851.db2.gz KHFUXUSPVZCMDR-SNVBAGLBSA-N 0 0 438.340 4.618 50 0 IJAARN COc1cccc(C[C@@H](C2CCN(C(=O)CCC(C)C)CC2)N(C)C(=O)CC(C)C)c1 ZINC000011871994 526070458 /nfs/dbraw/zinc/07/04/58/526070458.db2.gz NOYVQUUGILXQSO-DEOSSOPVSA-N 0 0 430.633 4.786 50 0 IJAARN COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)s1 ZINC000012408215 526114103 /nfs/dbraw/zinc/11/41/03/526114103.db2.gz FHAYHPKUELWXTC-UHFFFAOYSA-N 0 0 432.473 4.544 50 0 IJAARN CSc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c1 ZINC000033068044 526128622 /nfs/dbraw/zinc/12/86/22/526128622.db2.gz UJDWNTIGGJJBEX-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)c2n1 ZINC000012543273 526131307 /nfs/dbraw/zinc/13/13/07/526131307.db2.gz GVRFALHXCGJLKK-CYBMUJFWSA-N 0 0 444.318 4.993 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(N4CCOCC4)cc3)c2n1 ZINC000014870809 526132056 /nfs/dbraw/zinc/13/20/56/526132056.db2.gz VORYRQABLLJLLR-UHFFFAOYSA-N 0 0 446.334 4.704 50 0 IJAARN COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021527549 526139716 /nfs/dbraw/zinc/13/97/16/526139716.db2.gz ONMJQISHKLHJCA-HHHXNRCGSA-N 0 0 445.563 4.908 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526431 526140656 /nfs/dbraw/zinc/14/06/56/526140656.db2.gz FLBKNTDBTOMUDH-RUZDIDTESA-N 0 0 435.524 4.501 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000012649169 526167056 /nfs/dbraw/zinc/16/70/56/526167056.db2.gz FHSGQKXPCKTPQN-LWYUSKRHSA-N 0 0 449.780 4.937 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CSc1cc(N2C[C@H](C)C[C@@H](C)C2)ncn1 ZINC000049006749 526170546 /nfs/dbraw/zinc/17/05/46/526170546.db2.gz BXTRQDHPIMBSEU-ZIAGYGMSSA-N 0 0 449.418 4.761 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000022357253 526180200 /nfs/dbraw/zinc/18/02/00/526180200.db2.gz QUSGDVHNDMQMOR-LLVKDONJSA-N 0 0 447.347 4.533 50 0 IJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c1 ZINC000012566664 526199724 /nfs/dbraw/zinc/19/97/24/526199724.db2.gz RTVXUHCKSYHPKY-GOSISDBHSA-N 0 0 430.254 4.588 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCCCC3=O)cc2)c1 ZINC000012795264 526204272 /nfs/dbraw/zinc/20/42/72/526204272.db2.gz XFWGNBHCIMCWGK-UHFFFAOYSA-N 0 0 443.503 4.717 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c(C)n1-c1nccs1 ZINC000022617694 526215492 /nfs/dbraw/zinc/21/54/92/526215492.db2.gz XYYFLRRACPZPSU-UHFFFAOYSA-N 0 0 439.566 4.636 50 0 IJAARN CSc1nncn1-c1cccc(NC(=O)/C=C/c2ccc(C)cc2Br)c1 ZINC000012536553 526229961 /nfs/dbraw/zinc/22/99/61/526229961.db2.gz XXAWZPBPUWGSSW-CMDGGOBGSA-N 0 0 429.343 4.712 50 0 IJAARN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000001078159 526250581 /nfs/dbraw/zinc/25/05/81/526250581.db2.gz VJJDWGQRFPRZIL-UHFFFAOYSA-N 0 0 427.397 4.936 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(CN4C(=O)CSC4=O)c3)n2)c1 ZINC000012909110 526256654 /nfs/dbraw/zinc/25/66/54/526256654.db2.gz JBYSBRVEKZSFIE-UHFFFAOYSA-N 0 0 437.546 4.875 50 0 IJAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCc1ccc(Cl)cc1 ZINC000035528840 526364456 /nfs/dbraw/zinc/36/44/56/526364456.db2.gz VDDMLSKHDPHYRE-UHFFFAOYSA-N 0 0 434.367 4.986 50 0 IJAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCc1ccc(F)cc1 ZINC000033113915 526366117 /nfs/dbraw/zinc/36/61/17/526366117.db2.gz JHTDVRKQHQSZCJ-UHFFFAOYSA-N 0 0 427.907 4.519 50 0 IJAARN O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1cc(=O)c2ccccc2o1 ZINC000021226817 526425086 /nfs/dbraw/zinc/42/50/86/526425086.db2.gz KQEWYQGRHYSYNP-VWLOTQADSA-N 0 0 432.403 4.897 50 0 IJAARN O=C(NCCc1ccccc1)[C@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034709437 526425694 /nfs/dbraw/zinc/42/56/94/526425694.db2.gz WIYWDYPUMGQACU-UNMCSNQZSA-N 0 0 444.497 4.754 50 0 IJAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000012585641 526458609 /nfs/dbraw/zinc/45/86/09/526458609.db2.gz NEHCAKSEGNNNGZ-UHFFFAOYSA-N 0 0 438.522 4.960 50 0 IJAARN O=C(CCCc1nc2cccnc2n1C1CCCCC1)N1CCN(c2ccccc2)CC1 ZINC000021634743 526466936 /nfs/dbraw/zinc/46/69/36/526466936.db2.gz HVICVCLSXLTUFF-UHFFFAOYSA-N 0 0 431.584 4.608 50 0 IJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012634428 526562246 /nfs/dbraw/zinc/56/22/46/526562246.db2.gz ZSMCXHQHHLNBJP-MRXNPFEDSA-N 0 0 431.458 4.835 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000012203163 526576245 /nfs/dbraw/zinc/57/62/45/526576245.db2.gz XNGUNWIYFVBWTP-DWACAAAGSA-N 0 0 444.550 4.967 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NCc1nc2ccccc2s1 ZINC000012197534 526576813 /nfs/dbraw/zinc/57/68/13/526576813.db2.gz KLGQBOAPUABRTB-AREMUKBSSA-N 0 0 443.572 4.737 50 0 IJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012449307 526596805 /nfs/dbraw/zinc/59/68/05/526596805.db2.gz KMMXNOLYDQOXJC-NDEPHWFRSA-N 0 0 437.543 4.754 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000012882725 526601393 /nfs/dbraw/zinc/60/13/93/526601393.db2.gz IUJLMIGPGJDDOO-UHFFFAOYSA-N 0 0 444.354 4.592 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014673315 526645332 /nfs/dbraw/zinc/64/53/32/526645332.db2.gz KKHTYVAMDSBFFC-UHFFFAOYSA-N 0 0 442.306 4.860 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012883271 526660399 /nfs/dbraw/zinc/66/03/99/526660399.db2.gz RLTGWMLPCJVTIM-LADGPHEKSA-N 0 0 441.918 4.608 50 0 biogenic IJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(Cc4ccccc4C)CC3)c12 ZINC000022231122 526676406 /nfs/dbraw/zinc/67/64/06/526676406.db2.gz RNRQWECPMALKSA-UHFFFAOYSA-N 0 0 444.510 4.604 50 0 IJAARN O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000012586264 526698659 /nfs/dbraw/zinc/69/86/59/526698659.db2.gz NFSCKZLFDLMVOO-UHFFFAOYSA-N 0 0 431.927 4.562 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000022185022 526702396 /nfs/dbraw/zinc/70/23/96/526702396.db2.gz MMHDEMBRJPODMU-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N(Cc1cccs1)Cc1cccs1 ZINC000012792950 526710435 /nfs/dbraw/zinc/71/04/35/526710435.db2.gz MAXMDRJSNIVRLA-UHFFFAOYSA-N 0 0 427.519 4.649 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545497 526711931 /nfs/dbraw/zinc/71/19/31/526711931.db2.gz OHFWMHSRWDPRLZ-PZJWPPBQSA-N 0 0 430.470 4.712 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccn3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000015682270 526730126 /nfs/dbraw/zinc/73/01/26/526730126.db2.gz JPKXJIKVNXVQJD-YTTGMZPUSA-N 0 0 445.544 4.591 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000012798224 526732299 /nfs/dbraw/zinc/73/22/99/526732299.db2.gz CAGQVEVPWWUHEM-UHFFFAOYSA-N 0 0 428.561 4.891 50 0 IJAARN O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1 ZINC000036054676 526736392 /nfs/dbraw/zinc/73/63/92/526736392.db2.gz SVQVFFWYCMKKLI-DHIUTWEWSA-N 0 0 436.914 4.651 50 0 IJAARN O=C(c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)N1CCN(c2ccccc2F)CC1 ZINC000035559890 526736439 /nfs/dbraw/zinc/73/64/39/526736439.db2.gz WDVKJYLWPZWZCK-UHFFFAOYSA-N 0 0 448.929 4.840 50 0 IJAARN O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1 ZINC000036054679 526737143 /nfs/dbraw/zinc/73/71/43/526737143.db2.gz SVQVFFWYCMKKLI-GOTSBHOMSA-N 0 0 436.914 4.651 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022849736 526739440 /nfs/dbraw/zinc/73/94/40/526739440.db2.gz GPZSWXIRIUMFGY-UHFFFAOYSA-N 0 0 449.942 4.671 50 0 IJAARN O=C(c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)N1CCc2ccccc21 ZINC000035181078 526768229 /nfs/dbraw/zinc/76/82/29/526768229.db2.gz DETFZMGTLGTJTL-UHFFFAOYSA-N 0 0 429.495 4.861 50 0 IJAARN Cc1occc1-c1nn(CN2CCN(c3ccccc3)CC2)c(=S)n1Cc1ccccc1 ZINC000012521810 526796856 /nfs/dbraw/zinc/79/68/56/526796856.db2.gz CVFAZVHJCPHBEF-UHFFFAOYSA-N 0 0 445.592 4.811 50 0 IJAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035374664 526797433 /nfs/dbraw/zinc/79/74/33/526797433.db2.gz ZMNBCJXBGZZQOX-QTZVNIFKSA-N 0 0 444.531 4.645 50 0 IJAARN O=C(c1ccccc1F)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610986 526806842 /nfs/dbraw/zinc/80/68/42/526806842.db2.gz HIDLAJVKXHOLLV-UHFFFAOYSA-N 0 0 441.260 4.740 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012387341 526847160 /nfs/dbraw/zinc/84/71/60/526847160.db2.gz QJAJMZBAUJKBPZ-HXUWFJFHSA-N 0 0 434.446 4.921 50 0 IJAARN Cc1sc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)nc1-c1ccccc1 ZINC000017198112 526882448 /nfs/dbraw/zinc/88/24/48/526882448.db2.gz VSLWACKHDWOPOQ-UHFFFAOYSA-N 0 0 435.578 4.953 50 0 IJAARN Cc1sc2nc(Cc3ccccc3)nc(N3CCN(C(=O)c4cccs4)CC3)c2c1C ZINC000035866843 526894876 /nfs/dbraw/zinc/89/48/76/526894876.db2.gz JSPLVNUUQKYTNX-UHFFFAOYSA-N 0 0 448.617 4.923 50 0 IJAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000012430993 526908870 /nfs/dbraw/zinc/90/88/70/526908870.db2.gz BHXQECRFBGIOTF-KRWDZBQOSA-N 0 0 427.533 4.959 50 0 IJAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)NC(=S)N1c1ccccc1 ZINC000012558359 526942813 /nfs/dbraw/zinc/94/28/13/526942813.db2.gz BYGFOIIQHVUPMM-JCMHNJIXSA-N 0 0 440.503 4.941 50 0 IJAARN O=C(COc1ccc(Br)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012812475 526947033 /nfs/dbraw/zinc/94/70/33/526947033.db2.gz HPSSIJPCAPHJNH-CQSZACIVSA-N 0 0 431.355 4.844 50 0 IJAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020591 526947280 /nfs/dbraw/zinc/94/72/80/526947280.db2.gz HSCGRKLEMFYLMC-GOSISDBHSA-N 0 0 447.965 4.874 50 0 IJAARN O=C(COc1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610646 526954885 /nfs/dbraw/zinc/95/48/85/526954885.db2.gz QYOYJPGMVXWYPU-UHFFFAOYSA-N 0 0 426.835 4.662 50 0 IJAARN O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 ZINC000022906624 526971319 /nfs/dbraw/zinc/97/13/19/526971319.db2.gz FOJOUMBOEOAYJY-MHZLTWQESA-N 0 0 437.543 4.529 50 0 IJAARN O=C1CS[C@H](c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(F)cc1 ZINC000035910277 527016536 /nfs/dbraw/zinc/01/65/36/527016536.db2.gz QUEOKEMFJUWGLN-OAQYLSRUSA-N 0 0 446.500 4.544 50 0 IJAARN Cc1nc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)n(C[C@H]2CCCO2)c1C ZINC000012733491 527017064 /nfs/dbraw/zinc/01/70/64/527017064.db2.gz FSLKABSGWBNSED-RPWUZVMVSA-N 0 0 449.620 4.871 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c1Cc1ccc(O)cc1 ZINC000012372048 527018787 /nfs/dbraw/zinc/01/87/87/527018787.db2.gz AAYAAOFSFSYQEN-UHFFFAOYSA-N 0 0 437.443 4.644 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n(C[C@@H]2CCCO2)c1C ZINC000012553002 527019154 /nfs/dbraw/zinc/01/91/54/527019154.db2.gz ODJJFHFQYFUZOA-QFIPXVFZSA-N 0 0 442.629 4.790 50 0 IJAARN O=C1C[C@@H](c2ccc(F)cc2F)c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784923 527022533 /nfs/dbraw/zinc/02/25/33/527022533.db2.gz OOYBEIYODJNRCS-AWEZNQCLSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000012917356 527065143 /nfs/dbraw/zinc/06/51/43/527065143.db2.gz CTNDPHVIXJFSAN-OAHLLOKOSA-N 0 0 437.468 4.695 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)Nc1ccccc1 ZINC000002645596 527084511 /nfs/dbraw/zinc/08/45/11/527084511.db2.gz TYWSOSPHJSABBL-UHFFFAOYSA-N 0 0 434.590 4.904 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1cccc(F)c1 ZINC000021726889 527088628 /nfs/dbraw/zinc/08/86/28/527088628.db2.gz VTLNKXNUHOFECO-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466593 527110649 /nfs/dbraw/zinc/11/06/49/527110649.db2.gz IPRADQMEGNKXSK-LBPRGKRZSA-N 0 0 439.773 4.500 50 0 IJAARN O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1F ZINC000012857292 527112092 /nfs/dbraw/zinc/11/20/92/527112092.db2.gz STEZTASAQMUMKV-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012879141 527156601 /nfs/dbraw/zinc/15/66/01/527156601.db2.gz FTCSZPLTNMYCDK-UHFFFAOYSA-N 0 0 426.314 4.528 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000024073642 527157590 /nfs/dbraw/zinc/15/75/90/527157590.db2.gz LLMONNUWBRWLPP-UHFFFAOYSA-N 0 0 440.528 4.576 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695153 527179529 /nfs/dbraw/zinc/17/95/29/527179529.db2.gz QCBAQDKQGAQHID-UHFFFAOYSA-N 0 0 433.261 4.757 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2ccccc2c1 ZINC000012360497 527187902 /nfs/dbraw/zinc/18/79/02/527187902.db2.gz QAPVEXZYJZHMQK-HHHXNRCGSA-N 0 0 425.459 4.986 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 ZINC000015869228 527195766 /nfs/dbraw/zinc/19/57/66/527195766.db2.gz CIJCCURHQQCUKD-UHFFFAOYSA-N 0 0 441.438 4.624 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012687583 527223785 /nfs/dbraw/zinc/22/37/85/527223785.db2.gz TYPXIWMVRVSFLO-HSZRJFAPSA-N 0 0 426.472 4.520 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1cc2ccccc2o1 ZINC000016475300 527226595 /nfs/dbraw/zinc/22/65/95/527226595.db2.gz YIRXHDQZJOJXCW-UHFFFAOYSA-N 0 0 443.478 4.787 50 0 IJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012610585 527241355 /nfs/dbraw/zinc/24/13/55/527241355.db2.gz XLNPGPMFSCRBEY-CYBMUJFWSA-N 0 0 426.822 4.571 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(Cl)cc1 ZINC000020554880 527251637 /nfs/dbraw/zinc/25/16/37/527251637.db2.gz CPSQUUGAIKHHOT-UHFFFAOYSA-N 0 0 442.972 4.978 50 0 IJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399314 527273219 /nfs/dbraw/zinc/27/32/19/527273219.db2.gz IUOLLNCEAIZOAI-UHFFFAOYSA-N 0 0 449.910 4.514 50 0 biogenic IJAARN O=S(=O)(c1ccc(Sc2nnc(-c3ccccc3)c3ccccc32)nc1)N1CCCC1 ZINC000012534901 527279552 /nfs/dbraw/zinc/27/95/52/527279552.db2.gz SNLYDUQQDDWVRI-UHFFFAOYSA-N 0 0 448.573 4.628 50 0 IJAARN O=C(Nc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)C(=O)CO2)c1ccc(F)cc1 ZINC000035885692 527279511 /nfs/dbraw/zinc/27/95/11/527279511.db2.gz LMPHHFRIRSJLTG-QHCPKHFHSA-N 0 0 430.479 4.877 50 0 IJAARN O=C(Cc1ccccc1)NC(NCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F ZINC000012376205 527279868 /nfs/dbraw/zinc/27/98/68/527279868.db2.gz KSONMXFBZCVYRV-UHFFFAOYSA-N 0 0 448.451 4.972 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc(Cl)cc1 ZINC000012342540 527281522 /nfs/dbraw/zinc/28/15/22/527281522.db2.gz FMFBMNOAELXHBJ-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012781008 527284803 /nfs/dbraw/zinc/28/48/03/527284803.db2.gz GHBOSSHBKBTSBH-OAHLLOKOSA-N 0 0 428.337 4.681 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000035181170 527287164 /nfs/dbraw/zinc/28/71/64/527287164.db2.gz KIDNNBYPAGVVRR-UHFFFAOYSA-N 0 0 443.503 4.542 50 0 IJAARN O=S(=O)(c1nc(-c2ccco2)oc1N1CCCCC1)c1ccc(Br)cc1 ZINC000012374927 527296321 /nfs/dbraw/zinc/29/63/21/527296321.db2.gz JUMUCTOYALELFL-UHFFFAOYSA-N 0 0 437.315 4.520 50 0 IJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000012607986 527332059 /nfs/dbraw/zinc/33/20/59/527332059.db2.gz KCLYMEJILRBFLG-UHFFFAOYSA-N 0 0 431.920 4.620 50 0 IJAARN O=C(Nc1cccc(F)c1)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000015865521 527351788 /nfs/dbraw/zinc/35/17/88/527351788.db2.gz NNTMQUFEEIDFNN-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3Cl)c(=O)c21)NC1CCCCC1 ZINC000035399719 527360113 /nfs/dbraw/zinc/36/01/13/527360113.db2.gz RYUVEOKKMIBYQZ-UHFFFAOYSA-N 0 0 448.954 4.502 50 0 IJAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000022986910 527401519 /nfs/dbraw/zinc/40/15/19/527401519.db2.gz BDYDNGJHWUAJHY-UHFFFAOYSA-N 0 0 431.289 4.613 50 0 IJAARN O=c1[nH]c(C=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)nc2ccccc12 ZINC000035684679 527434196 /nfs/dbraw/zinc/43/41/96/527434196.db2.gz CDCUYMRVZWEVKA-QBFSEMIESA-N 0 0 448.482 4.717 50 0 IJAARN O=c1c2c3c(sc2nc(SC[C@@H](O)c2ccccc2)n1Cc1ccco1)CCCC3 ZINC000012928435 527458680 /nfs/dbraw/zinc/45/86/80/527458680.db2.gz KLXLMUXXSFDUFF-GOSISDBHSA-N 0 0 438.574 4.804 50 0 IJAARN Cc1ncoc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012386273 527468484 /nfs/dbraw/zinc/46/84/84/527468484.db2.gz RLRLEUCEANGGDI-IBGZPJMESA-N 0 0 428.492 4.622 50 0 IJAARN O=C(NC1CC1)c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CCOCC1 ZINC000020212304 527493642 /nfs/dbraw/zinc/49/36/42/527493642.db2.gz NYUYGDCHUMYWOH-UHFFFAOYSA-N 0 0 429.545 4.845 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)nc(NC3CCC(NC(=O)NC(C)(C)C)CC3)c12 ZINC000036016647 527524098 /nfs/dbraw/zinc/52/40/98/527524098.db2.gz XJCKVHXVCVRFFM-UHFFFAOYSA-N 0 0 449.603 4.562 50 0 IJAARN Nc1nc(-c2ccc(Cl)s2)c([C@@]2(O)C(=O)Nc3c2cc(Cl)cc3Cl)s1 ZINC000012566922 527539702 /nfs/dbraw/zinc/53/97/02/527539702.db2.gz ACVYTTYOPIBSDG-OAHLLOKOSA-N 0 0 432.741 4.602 50 0 IJAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000033115121 527557572 /nfs/dbraw/zinc/55/75/72/527557572.db2.gz NPENNYCONUVBSL-HXUWFJFHSA-N 0 0 444.579 4.925 50 0 IJAARN Cn1nc(SCc2ccccc2Cl)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839284 527557645 /nfs/dbraw/zinc/55/76/45/527557645.db2.gz YFWSYVBLJFOABJ-UHFFFAOYSA-N 0 0 436.968 4.874 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(N(C)C)cc1)SCC(=O)N2 ZINC000020891257 527571885 /nfs/dbraw/zinc/57/18/85/527571885.db2.gz POOADEUZFJRMLI-HXUWFJFHSA-N 0 0 435.578 4.631 50 0 IJAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cncc(Br)c1 ZINC000069484278 527579667 /nfs/dbraw/zinc/57/96/67/527579667.db2.gz FJHJFXZEEKATLN-UHFFFAOYSA-N 0 0 444.156 4.629 50 0 IJAARN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020606875 527699144 /nfs/dbraw/zinc/69/91/44/527699144.db2.gz CEAAVKNONPRIJW-NSHDSACASA-N 0 0 433.459 4.639 50 0 IJAARN CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OCCC)c2)c1 ZINC000009907848 535326786 /nfs/dbraw/zinc/32/67/86/535326786.db2.gz YEMJOONVHVJVMT-UHFFFAOYSA-N 0 0 440.540 4.521 50 0 IJAARN COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cccc(C)n2)CCC(=O)N1c1ccc(C)cc1 ZINC000009671031 537105843 /nfs/dbraw/zinc/10/58/43/537105843.db2.gz FLVDRADROLGCDU-SQJMNOBHSA-N 0 0 429.520 4.830 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000629181 555514089 /nfs/dbraw/zinc/51/40/89/555514089.db2.gz MFMXEJUGFRMYEP-QHCPKHFHSA-N 0 0 441.574 4.711 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)c1 ZINC000000635860 555516672 /nfs/dbraw/zinc/51/66/72/555516672.db2.gz XDEVMUFJFXTOJO-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc(CCNC(=O)[C@H]2CC2(c2ccccc2C)c2ccccc2C)cc1OC ZINC000000635595 555516717 /nfs/dbraw/zinc/51/67/17/555516717.db2.gz MCFNYBYPWHDVPO-XMMPIXPASA-N 0 0 429.560 4.986 50 0 IJAARN Cc1cc(I)ccc1NC(=O)CSc1cccc2cccnc21 ZINC000000641972 555518684 /nfs/dbraw/zinc/51/86/84/555518684.db2.gz BZPCMYCTYQYHII-UHFFFAOYSA-N 0 0 434.302 4.879 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)c(OC)c1OC ZINC000000645888 555520722 /nfs/dbraw/zinc/52/07/22/555520722.db2.gz RULATHIEBAVYJU-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3cccs3)n2)cc1 ZINC000000646621 555521047 /nfs/dbraw/zinc/52/10/47/555521047.db2.gz QSOVUVDRBJIAED-UHFFFAOYSA-N 0 0 439.484 4.641 50 0 aggregator IJAARN CCOC(=O)CSc1nnc(COc2cccc3ccccc32)n1-c1ccc(OC)cc1 ZINC000000650942 555522631 /nfs/dbraw/zinc/52/26/31/555522631.db2.gz HRBSBWAUKGMKJP-UHFFFAOYSA-N 0 0 449.532 4.663 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000000661476 555527110 /nfs/dbraw/zinc/52/71/10/555527110.db2.gz UTQJFTAIUCPENT-UHFFFAOYSA-N 0 0 435.749 4.902 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C)c1ccccc1 ZINC000000667456 555529225 /nfs/dbraw/zinc/52/92/25/555529225.db2.gz KILNTQSITAOYKX-ZDUSSCGKSA-N 0 0 426.929 4.851 50 0 aggregator IJAARN COc1ccc(Br)c([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000000668383 555529870 /nfs/dbraw/zinc/52/98/70/555529870.db2.gz AASZCXOXZKEFCS-MRXNPFEDSA-N 0 0 431.315 4.535 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1cccc(C)c1 ZINC000000668585 555529874 /nfs/dbraw/zinc/52/98/74/555529874.db2.gz PZQIJHUGBRGWSK-UHFFFAOYSA-N 0 0 438.505 4.665 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N1CCCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000000671382 555531292 /nfs/dbraw/zinc/53/12/92/555531292.db2.gz ISGGSUWJVRGGBG-DCIPZJNNSA-N 0 0 429.347 4.781 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000000674604 555533385 /nfs/dbraw/zinc/53/33/85/555533385.db2.gz PKEYIUNAESIYSU-OALUTQOASA-N 0 0 448.420 4.621 50 0 IJAARN O=C(NC(=S)Nc1ccccc1I)c1cccc2ccccc21 ZINC000000678879 555536296 /nfs/dbraw/zinc/53/62/96/555536296.db2.gz VDFQBJWREBGSKX-UHFFFAOYSA-N 0 0 432.286 4.571 50 0 IJAARN COc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c2ccccc12 ZINC000000683351 555538703 /nfs/dbraw/zinc/53/87/03/555538703.db2.gz ISDGFLJBCNHFAO-HSZRJFAPSA-N 0 0 444.516 4.866 50 0 IJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1c(F)cccc1Cl ZINC000000684389 555539230 /nfs/dbraw/zinc/53/92/30/555539230.db2.gz WZLIKLYMWOOMQH-LJQANCHMSA-N 0 0 430.892 4.887 50 0 IJAARN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 ZINC000000686619 555540056 /nfs/dbraw/zinc/54/00/56/555540056.db2.gz WQKQUWOWDAKBLQ-UHFFFAOYSA-N 0 0 430.961 4.902 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000689055 555541351 /nfs/dbraw/zinc/54/13/51/555541351.db2.gz IFIDWAWLXOYDOO-UHFFFAOYSA-N 0 0 426.428 4.669 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc(OC)cc1 ZINC000000709125 555546118 /nfs/dbraw/zinc/54/61/18/555546118.db2.gz DLORPIQWBBGKKN-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)NCc1ccco1 ZINC000000720967 555550175 /nfs/dbraw/zinc/55/01/75/555550175.db2.gz QZJQMLYVHQBPPP-UHFFFAOYSA-N 0 0 434.805 4.900 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000721050 555550217 /nfs/dbraw/zinc/55/02/17/555550217.db2.gz NLJGPJUIMMFSNU-UHFFFAOYSA-N 0 0 435.768 4.855 50 0 IJAARN CCOc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000728794 555552296 /nfs/dbraw/zinc/55/22/96/555552296.db2.gz LMDDWAGZTHQBHH-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN COc1ccc(O[C@@H]2C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729395 555552534 /nfs/dbraw/zinc/55/25/34/555552534.db2.gz CDZFHDZREXPTBF-GOTSBHOMSA-N 0 0 439.895 4.901 50 0 IJAARN S=c1n(CN2CCC3(CC2)OCCO3)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000784069 555555797 /nfs/dbraw/zinc/55/57/97/555555797.db2.gz BITRTEQMOLSCLS-UHFFFAOYSA-N 0 0 442.972 4.520 50 0 IJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000000808685 555560273 /nfs/dbraw/zinc/56/02/73/555560273.db2.gz SRFXRJGMARDNKH-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000000827722 555565791 /nfs/dbraw/zinc/56/57/91/555565791.db2.gz KSHHLFHEYZAWTP-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN Cc1ccc2nc(COC(=O)c3cc(-c4cccs4)nc4ccccc43)cc(=O)n2c1 ZINC000009446797 555572684 /nfs/dbraw/zinc/57/26/84/555572684.db2.gz VLBHNIQPHVZPCD-UHFFFAOYSA-N 0 0 427.485 4.637 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866993 555574238 /nfs/dbraw/zinc/57/42/38/555574238.db2.gz SEVFEQHVMKODQT-UONOGXRCSA-N 0 0 442.800 4.859 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)c1 ZINC000000884136 555578747 /nfs/dbraw/zinc/57/87/47/555578747.db2.gz KEYJRPUGJSYOTD-ZWKOTPCHSA-N 0 0 432.402 4.510 50 0 IJAARN COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000000939626 555586785 /nfs/dbraw/zinc/58/67/85/555586785.db2.gz LLULJZCCRVPNEZ-UHFFFAOYSA-N 0 0 431.197 4.803 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)c1C ZINC000000947676 555588167 /nfs/dbraw/zinc/58/81/67/555588167.db2.gz GERVZSHKDFIARL-NSHDSACASA-N 0 0 443.594 4.913 50 0 IJAARN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000000954532 555589723 /nfs/dbraw/zinc/58/97/23/555589723.db2.gz OCTRBFAWWPOGMO-LBPRGKRZSA-N 0 0 445.338 4.683 50 0 IJAARN Cc1cc(C)cc(Oc2coc3cc(OCC(=O)NCc4ccccc4)ccc3c2=O)c1 ZINC000000954861 555589969 /nfs/dbraw/zinc/58/99/69/555589969.db2.gz KPUOKGZRWSLFFL-UHFFFAOYSA-N 0 0 429.472 4.897 50 0 IJAARN Cc1ccc(NCc2nnc(SCC(=O)OC(C)C)n2-c2cccc(Cl)c2)cc1 ZINC000000976973 555592575 /nfs/dbraw/zinc/59/25/75/555592575.db2.gz JTPSRYRQBFPQEX-UHFFFAOYSA-N 0 0 430.961 4.885 50 0 IJAARN O=C(NN1c2ccccc2CCc2ccccc21)c1ccccc1I ZINC000000978399 555592870 /nfs/dbraw/zinc/59/28/70/555592870.db2.gz YRQGFHSCEYHQBL-UHFFFAOYSA-N 0 0 440.284 4.873 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000987257 555595074 /nfs/dbraw/zinc/59/50/74/555595074.db2.gz OIHZOBBFFUIFEP-UHFFFAOYSA-N 0 0 436.261 4.607 50 0 IJAARN Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000001005833 555601050 /nfs/dbraw/zinc/60/10/50/555601050.db2.gz JUYFQOTZHUMDJM-BKUYFWCQSA-N 0 0 437.496 4.744 50 0 IJAARN COC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1SCc1c(F)cccc1Cl ZINC000001034949 555607732 /nfs/dbraw/zinc/60/77/32/555607732.db2.gz FLOZGOZMMFJCOG-UHFFFAOYSA-N 0 0 430.263 4.931 50 0 IJAARN CCN(CC)C(=S)Oc1c(Br)cc(Br)cc1Br ZINC000001036267 555608530 /nfs/dbraw/zinc/60/85/30/555608530.db2.gz VDTGQKDZXUFVFD-UHFFFAOYSA-N 0 0 446.002 4.980 50 0 IJAARN CC(C)(C)c1ccc(-c2ncon2)cc1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001047882 555611466 /nfs/dbraw/zinc/61/14/66/555611466.db2.gz FDXUOOOIRVARME-UHFFFAOYSA-N 0 0 428.418 4.755 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001048358 555611785 /nfs/dbraw/zinc/61/17/85/555611785.db2.gz CSNVXFDZVXOEDI-UHFFFAOYSA-N 0 0 442.393 4.504 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NC[C@@H]2CCCO2)cc1 ZINC000001052944 555613950 /nfs/dbraw/zinc/61/39/50/555613950.db2.gz PEXFORJUIUBVIG-HNNXBMFYSA-N 0 0 432.929 4.727 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 ZINC000001057211 555614856 /nfs/dbraw/zinc/61/48/56/555614856.db2.gz CSJAGJXTUROQQG-HNNXBMFYSA-N 0 0 438.549 4.761 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000001064843 555617866 /nfs/dbraw/zinc/61/78/66/555617866.db2.gz ULWWRMQZZNTGKX-FKIZINRSSA-N 0 0 436.733 4.566 50 0 IJAARN O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000001074639 555623610 /nfs/dbraw/zinc/62/36/10/555623610.db2.gz XVHGCJRPLMFCNN-UHFFFAOYSA-N 0 0 441.380 4.638 50 0 IJAARN COC(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C(=O)OC)c1C ZINC000001111804 555632073 /nfs/dbraw/zinc/63/20/73/555632073.db2.gz ZJHAUACUZFHBFQ-UHFFFAOYSA-N 0 0 437.517 4.790 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccc(C)c(Cl)c1 ZINC000001112331 555632369 /nfs/dbraw/zinc/63/23/69/555632369.db2.gz MSFJVMYKCFKEBB-UHFFFAOYSA-N 0 0 443.960 4.616 50 0 IJAARN CCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000001112929 555632636 /nfs/dbraw/zinc/63/26/36/555632636.db2.gz ZQLBPTHHOCRBCO-UHFFFAOYSA-N 0 0 428.539 4.800 50 0 IJAARN O=C(/C=C/c1cccc(Cl)c1)N1CCCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000001114203 555633500 /nfs/dbraw/zinc/63/35/00/555633500.db2.gz DWOMMPIJMIKFLG-GFULKKFKSA-N 0 0 429.347 4.781 50 0 IJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccccc2I)s1 ZINC000001119895 555636937 /nfs/dbraw/zinc/63/69/37/555636937.db2.gz OGYVLMNJAQNXOS-UHFFFAOYSA-N 0 0 446.335 4.511 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc(Br)s1 ZINC000001121426 555638193 /nfs/dbraw/zinc/63/81/93/555638193.db2.gz PLYCLYFLSJQWBZ-UHFFFAOYSA-N 0 0 427.279 4.564 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000001121983 555638549 /nfs/dbraw/zinc/63/85/49/555638549.db2.gz CXRZOHNIVIQTSP-UHFFFAOYSA-N 0 0 444.940 4.700 50 0 IJAARN COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000001124200 555639565 /nfs/dbraw/zinc/63/95/65/555639565.db2.gz YCONZSHLNNPHJV-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN Cc1cccc(-c2ccc(OCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2)c1 ZINC000001124428 555639942 /nfs/dbraw/zinc/63/99/42/555639942.db2.gz RNWYMVBEKQZBTD-UHFFFAOYSA-N 0 0 437.561 4.570 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000001138853 555648410 /nfs/dbraw/zinc/64/84/10/555648410.db2.gz OGNBUDOGNJCCAM-WZONZLPQSA-N 0 0 429.520 4.722 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000001140467 555649708 /nfs/dbraw/zinc/64/97/08/555649708.db2.gz MZNCLUOUKSDUOJ-AWNIVKPZSA-N 0 0 436.533 4.765 50 0 IJAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000001140374 555649722 /nfs/dbraw/zinc/64/97/22/555649722.db2.gz QVNHFACIROFVSV-MUUNZHRXSA-N 0 0 437.495 4.856 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)cc1Cl ZINC000001144128 555652065 /nfs/dbraw/zinc/65/20/65/555652065.db2.gz CCIRSTQBTKCPMF-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN COc1cc(CO)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001147942 555654726 /nfs/dbraw/zinc/65/47/26/555654726.db2.gz AMZXCZQOFJKIDP-UHFFFAOYSA-N 0 0 439.076 4.678 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001156782 555659237 /nfs/dbraw/zinc/65/92/37/555659237.db2.gz YLWQSDFOGUSHOX-UHFFFAOYSA-N 0 0 447.771 4.686 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000001158217 555660143 /nfs/dbraw/zinc/66/01/43/555660143.db2.gz CUKYZFQTRDOLIK-UHFFFAOYSA-N 0 0 440.849 4.858 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3Br)n2)cc1 ZINC000001158396 555660530 /nfs/dbraw/zinc/66/05/30/555660530.db2.gz IHSGMAUVGJTYFX-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 ZINC000001160208 555661460 /nfs/dbraw/zinc/66/14/60/555661460.db2.gz DOPYXECCSWZJCT-ZDUSSCGKSA-N 0 0 447.553 4.718 50 0 IJAARN CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000001162170 555662327 /nfs/dbraw/zinc/66/23/27/555662327.db2.gz OISQXUYJFABFSY-HNEYUBDGSA-N 0 0 445.313 4.732 50 0 IJAARN Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(Br)c1 ZINC000001166792 555664375 /nfs/dbraw/zinc/66/43/75/555664375.db2.gz JUCUPCWNKKCUDA-UHFFFAOYSA-N 0 0 443.297 4.929 50 0 IJAARN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000001169226 555665588 /nfs/dbraw/zinc/66/55/88/555665588.db2.gz RXPQFEKFIUOBNR-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001170211 555666140 /nfs/dbraw/zinc/66/61/40/555666140.db2.gz OZWSOWKCGVUAQT-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCc1ccccc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000001172574 555667937 /nfs/dbraw/zinc/66/79/37/555667937.db2.gz GJRUWZWNRAIBDV-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000001174691 555669009 /nfs/dbraw/zinc/66/90/09/555669009.db2.gz CBVJUCFTXLEJBC-UHFFFAOYSA-N 0 0 432.505 4.804 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001181280 555671975 /nfs/dbraw/zinc/67/19/75/555671975.db2.gz AQWYIXYGJTWAGV-LFYBBSHMSA-N 0 0 425.897 4.712 50 0 aggregator IJAARN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000001183288 555673123 /nfs/dbraw/zinc/67/31/23/555673123.db2.gz MHQBLSSAQJNGOO-UHFFFAOYSA-N 0 0 428.311 4.565 50 0 IJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(I)cc2C)c(Cl)c1 ZINC000001185637 555673989 /nfs/dbraw/zinc/67/39/89/555673989.db2.gz JXXYZBSDDFXUFQ-UHFFFAOYSA-N 0 0 429.685 4.887 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2Br)cc1Cl ZINC000001188478 555675189 /nfs/dbraw/zinc/67/51/89/555675189.db2.gz MZRZQUILUWSGMT-QGZVFWFLSA-N 0 0 434.721 4.678 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001202416 555679089 /nfs/dbraw/zinc/67/90/89/555679089.db2.gz REWRZUWQDHQNHC-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001203296 555679417 /nfs/dbraw/zinc/67/94/17/555679417.db2.gz FCUUVWQDIUNVEE-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206353 555680644 /nfs/dbraw/zinc/68/06/44/555680644.db2.gz YTTUGNZJZMEOGW-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001212674 555682772 /nfs/dbraw/zinc/68/27/72/555682772.db2.gz CXSJPBQQXNUQAA-UHFFFAOYSA-N 0 0 436.718 4.884 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000009744113 555685982 /nfs/dbraw/zinc/68/59/82/555685982.db2.gz PSDYQZKAGLCHTO-XMMPIXPASA-N 0 0 439.515 4.861 50 0 IJAARN COc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=S)c1 ZINC000001322241 555690037 /nfs/dbraw/zinc/69/00/37/555690037.db2.gz UCKCPSODOHUIHD-UPVQGACJSA-N 0 0 439.540 4.824 50 0 biogenic,in-vitro IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000009836519 555690419 /nfs/dbraw/zinc/69/04/19/555690419.db2.gz KRYLFWDNMKMXPN-JZXOWHBKSA-N 0 0 431.964 4.536 50 0 IJAARN Cc1ncsc1CCN1c2ccccc2[C@@](O)(CC(=O)c2cccc3ccccc32)C1=O ZINC000001422639 555695703 /nfs/dbraw/zinc/69/57/03/555695703.db2.gz HMESDXWSYXBUMH-SANMLTNESA-N 0 0 442.540 4.655 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446567 555699267 /nfs/dbraw/zinc/69/92/67/555699267.db2.gz LHPOLZTWYZXESR-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COC(=O)c1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C(=O)OC)c1 ZINC000001738330 555711432 /nfs/dbraw/zinc/71/14/32/555711432.db2.gz SURKOEZHDHYMJK-UHFFFAOYSA-N 0 0 430.766 4.576 50 0 IJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000001770180 555713303 /nfs/dbraw/zinc/71/33/03/555713303.db2.gz BGKKQTVQVCCZNC-QGZVFWFLSA-N 0 0 426.465 4.549 50 0 IJAARN O=c1/c(=C\c2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000001786980 555715260 /nfs/dbraw/zinc/71/52/60/555715260.db2.gz NLYGFZKXFZRDNZ-KGENOOAVSA-N 0 0 445.931 4.598 50 0 IJAARN CCOc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000002064867 555733112 /nfs/dbraw/zinc/73/31/12/555733112.db2.gz QZKVCIDEPHQLSP-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000002104301 555742961 /nfs/dbraw/zinc/74/29/61/555742961.db2.gz LFFKVPPTDCYJOO-NRFANRHFSA-N 0 0 439.928 4.694 50 0 IJAARN CCOC(=O)C(C=Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C(=O)OCC ZINC000002160913 555750963 /nfs/dbraw/zinc/75/09/63/555750963.db2.gz ZLPMFTVWKZMFEC-UHFFFAOYSA-N 0 0 436.430 4.740 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)NCCO)C1 ZINC000002182376 555753981 /nfs/dbraw/zinc/75/39/81/555753981.db2.gz QOSZCIFUOCSPTQ-AWEZNQCLSA-N 0 0 434.989 4.527 50 0 IJAARN COc1cccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(C)cc2C)c1 ZINC000002255863 555762869 /nfs/dbraw/zinc/76/28/69/555762869.db2.gz WCXFRHWBMADUCE-DEOSSOPVSA-N 0 0 445.515 4.792 50 0 IJAARN CCC(=O)Nc1ccc(Nc2nc(Cl)nc(Nc3ccc(NC(=O)CC)cc3)n2)cc1 ZINC000002292186 555766291 /nfs/dbraw/zinc/76/62/91/555766291.db2.gz ZPLMHAMMXZJAII-UHFFFAOYSA-N 0 0 439.907 4.709 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccncc4)n3C)ccc21 ZINC000002348782 555770776 /nfs/dbraw/zinc/77/07/76/555770776.db2.gz UZIFLFCKFQLVLS-UHFFFAOYSA-N 0 0 442.548 4.736 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccn4)n3C)ccc21 ZINC000002383564 555774315 /nfs/dbraw/zinc/77/43/15/555774315.db2.gz RUOXFYWNWAEBMF-UHFFFAOYSA-N 0 0 442.548 4.736 50 0 IJAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000002396057 555775588 /nfs/dbraw/zinc/77/55/88/555775588.db2.gz TXMGMDXXBGECIF-UHFFFAOYSA-N 0 0 447.951 4.860 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000002409194 555776631 /nfs/dbraw/zinc/77/66/31/555776631.db2.gz UWQYXZASHBDFHN-UHFFFAOYSA-N 0 0 432.864 4.703 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000002442667 555779725 /nfs/dbraw/zinc/77/97/25/555779725.db2.gz LIKLNIIHMJSWMV-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nnc2-c2ccccc2)cc1 ZINC000002451542 555781799 /nfs/dbraw/zinc/78/17/99/555781799.db2.gz SUPDYSJRYVCHQP-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccncc2)cc1 ZINC000002452574 555782099 /nfs/dbraw/zinc/78/20/99/555782099.db2.gz SBEWSMOXYFYISJ-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667468 555791392 /nfs/dbraw/zinc/79/13/92/555791392.db2.gz NUQTWZICLHFEPO-SIBVEZHUSA-N 0 0 432.539 4.877 50 0 IJAARN Cc1cccc(CNC(=O)c2cccc(CN3CCN(c4ccc(C)c(C)c4)CC3)c2)c1 ZINC000034668128 555792401 /nfs/dbraw/zinc/79/24/01/555792401.db2.gz WOCKLSOJUKXAFY-UHFFFAOYSA-N 0 0 427.592 4.864 50 0 IJAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000034675818 555794122 /nfs/dbraw/zinc/79/41/22/555794122.db2.gz KAJZALKTVIDNNQ-UHFFFAOYSA-N 0 0 433.577 4.744 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NCc1ccccn1 ZINC000034686502 555801449 /nfs/dbraw/zinc/80/14/49/555801449.db2.gz QCWMDXSRJAQBMH-UHFFFAOYSA-N 0 0 441.556 4.849 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Oc1ccccc1 ZINC000002735031 555805705 /nfs/dbraw/zinc/80/57/05/555805705.db2.gz YGGIPMASWJQUIG-UHFFFAOYSA-N 0 0 436.533 4.906 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccncc2)CC1 ZINC000034683650 555819108 /nfs/dbraw/zinc/81/91/08/555819108.db2.gz FXBZRXIUDHHEPH-UHFFFAOYSA-N 0 0 441.984 4.595 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(C)s1 ZINC000002797113 555822836 /nfs/dbraw/zinc/82/28/36/555822836.db2.gz ZDSAZZMXOAEFRC-UHFFFAOYSA-N 0 0 429.513 4.689 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000034708428 555823048 /nfs/dbraw/zinc/82/30/48/555823048.db2.gz PJFJMWONQHEZHF-IZZNHLLZSA-N 0 0 446.591 4.563 50 0 IJAARN O=C(NCCc1ccccc1)[C@@H]1CC[C@@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034709436 555823494 /nfs/dbraw/zinc/82/34/94/555823494.db2.gz WIYWDYPUMGQACU-IRLDBZIGSA-N 0 0 444.497 4.754 50 0 IJAARN COc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000034709579 555823810 /nfs/dbraw/zinc/82/38/10/555823810.db2.gz RWYBFTBFBVJJOE-DQEYMECFSA-N 0 0 442.559 4.600 50 0 IJAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1c(F)cccc1F ZINC000034712427 555825818 /nfs/dbraw/zinc/82/58/18/555825818.db2.gz IJUZAAIQHQTJMZ-UHFFFAOYSA-N 0 0 430.476 4.912 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002812992 555827861 /nfs/dbraw/zinc/82/78/61/555827861.db2.gz SZJTZZUPYVPLTL-UHFFFAOYSA-N 0 0 426.563 4.551 50 0 IJAARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccco1 ZINC000002848086 555838441 /nfs/dbraw/zinc/83/84/41/555838441.db2.gz QSQGLPCSTDMVKI-UHFFFAOYSA-N 0 0 427.489 4.602 50 0 IJAARN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000002853967 555840769 /nfs/dbraw/zinc/84/07/69/555840769.db2.gz FEHIKLABPBPUSR-JOCHJYFZSA-N 0 0 443.455 4.841 50 0 IJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2nc(-c4ccccc4)ns2)n1)CCC3 ZINC000002861264 555844499 /nfs/dbraw/zinc/84/44/99/555844499.db2.gz SFWVCXGUOJKZRY-UHFFFAOYSA-N 0 0 439.591 4.738 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002862643 555845860 /nfs/dbraw/zinc/84/58/60/555845860.db2.gz NHLRALXOKRDSDR-UHFFFAOYSA-N 0 0 442.295 4.595 50 0 IJAARN COCCSc1ccccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000002865323 555846673 /nfs/dbraw/zinc/84/66/73/555846673.db2.gz STZBYURBHXRNBC-UHFFFAOYSA-N 0 0 435.958 4.761 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1c[nH]c2ccccc21 ZINC000002875405 555852021 /nfs/dbraw/zinc/85/20/21/555852021.db2.gz PXXBJVFJHMTMPW-UHFFFAOYSA-N 0 0 431.443 4.713 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)sc2c1CCCC2 ZINC000002884460 555857219 /nfs/dbraw/zinc/85/72/19/555857219.db2.gz JZVGVNHYVOVUSP-UHFFFAOYSA-N 0 0 431.407 4.621 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Br ZINC000002884630 555857279 /nfs/dbraw/zinc/85/72/79/555857279.db2.gz LRDPPCPZXGULKB-UHFFFAOYSA-N 0 0 439.309 4.891 50 0 IJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000002942763 555865113 /nfs/dbraw/zinc/86/51/13/555865113.db2.gz KMECMESNMZZBGQ-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2cc(C)ccc2C)cc1 ZINC000002961445 555867660 /nfs/dbraw/zinc/86/76/60/555867660.db2.gz RZXITPWBCLLAQR-NRFANRHFSA-N 0 0 436.577 4.685 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000034729131 555868975 /nfs/dbraw/zinc/86/89/75/555868975.db2.gz UCMQONOCXWFFNY-UHFFFAOYSA-N 0 0 441.575 4.577 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3n2)cc1 ZINC000002987285 555874306 /nfs/dbraw/zinc/87/43/06/555874306.db2.gz MAMIZECQBPDPGX-UHFFFAOYSA-N 0 0 438.837 4.703 50 0 IJAARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000002988980 555874622 /nfs/dbraw/zinc/87/46/22/555874622.db2.gz JYVGCJPIZXPWBX-OAHLLOKOSA-N 0 0 430.526 4.746 50 0 IJAARN NC(=O)c1c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)sc2c1CCCC2 ZINC000002999250 555877270 /nfs/dbraw/zinc/87/72/70/555877270.db2.gz HWINMUULLFICOG-UHFFFAOYSA-N 0 0 433.744 4.704 50 0 IJAARN CCOC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003014171 555880277 /nfs/dbraw/zinc/88/02/77/555880277.db2.gz BDHAXSOEEVHTBV-VIFPVBQESA-N 0 0 439.579 4.722 50 0 IJAARN O=C(Cc1cccs1)N1C[C@H](C(=O)NCc2cccc(F)c2)CC[C@H]1c1ccccc1 ZINC000034739962 555883029 /nfs/dbraw/zinc/88/30/29/555883029.db2.gz DBCXPHYMNJMKHQ-OFNKIYASSA-N 0 0 436.552 4.726 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003123274 555889373 /nfs/dbraw/zinc/88/93/73/555889373.db2.gz VOEZWKGCZGEDOZ-AWEZNQCLSA-N 0 0 437.179 4.753 50 0 IJAARN COC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000003202789 555897772 /nfs/dbraw/zinc/89/77/72/555897772.db2.gz JLRUCXVDXPRLRJ-LJQANCHMSA-N 0 0 429.648 4.630 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCc3ccncc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000034833007 555912874 /nfs/dbraw/zinc/91/28/74/555912874.db2.gz GXUIIQYQYCZNPE-UHFFFAOYSA-N 0 0 449.514 4.705 50 0 IJAARN CN(C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)C1CCCCC1 ZINC000034837555 555914568 /nfs/dbraw/zinc/91/45/68/555914568.db2.gz HWISGWFJTOGJDV-UHFFFAOYSA-N 0 0 447.558 4.500 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C\c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000034876757 555926070 /nfs/dbraw/zinc/92/60/70/555926070.db2.gz LTWIOJOKKOAJRT-AXUYNXDZSA-N 0 0 431.985 4.693 50 0 IJAARN CCCCNC(=O)Nc1ccc(N(C)C)c(CN(CCC)C(=O)c2ccc(F)cc2)c1 ZINC000034921788 555932037 /nfs/dbraw/zinc/93/20/37/555932037.db2.gz XONNLMYIBKNLGU-UHFFFAOYSA-N 0 0 428.552 4.866 50 0 IJAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)cc1 ZINC000034924504 555933346 /nfs/dbraw/zinc/93/33/46/555933346.db2.gz ABVBDDQAXRJLPY-UHFFFAOYSA-N 0 0 432.545 4.561 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)cc4)nn3c2C)cc1 ZINC000003631763 555942088 /nfs/dbraw/zinc/94/20/88/555942088.db2.gz BMRKBZPMVNVCGU-UHFFFAOYSA-N 0 0 431.565 4.680 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670172 555945470 /nfs/dbraw/zinc/94/54/70/555945470.db2.gz CRSDGQNKTRVMNC-CBJTVTONSA-N 0 0 448.350 4.886 50 0 IJAARN O=C(COC(=O)c1ccc([C@H](O)c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000004119335 555964056 /nfs/dbraw/zinc/96/40/56/555964056.db2.gz SCNQPDFWNSRKNF-OAQYLSRUSA-N 0 0 425.278 4.571 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc(-n2cccc2)c1 ZINC000004122634 555965787 /nfs/dbraw/zinc/96/57/87/555965787.db2.gz RDAXCWIHBIGDGQ-MUUNZHRXSA-N 0 0 436.511 4.527 50 0 IJAARN COC(=O)[C@H](c1ccccc1F)[C@H]1C=C[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000022659302 556093533 /nfs/dbraw/zinc/09/35/33/556093533.db2.gz YIFRRYWRNYMEPK-UVIMBBFXSA-N 0 0 439.380 4.615 50 0 IJAARN CCOC(=O)c1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000006599770 556096488 /nfs/dbraw/zinc/09/64/88/556096488.db2.gz FUQFBSWAHNKNEH-INIZCTEOSA-N 0 0 441.808 4.684 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)n(C[C@@H]2CCCO2)c1C ZINC000018596332 556114418 /nfs/dbraw/zinc/11/44/18/556114418.db2.gz YTEZWCOAUREMEM-YOEHRIQHSA-N 0 0 438.391 4.561 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(OC)cc3c2=O)cc1 ZINC000002693374 556120864 /nfs/dbraw/zinc/12/08/64/556120864.db2.gz BDPQXVZKIVURJZ-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c1 ZINC000002722260 556127900 /nfs/dbraw/zinc/12/79/00/556127900.db2.gz MWZZNMHVICQIPH-UHFFFAOYSA-N 0 0 432.545 4.719 50 0 IJAARN O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000002721850 556127960 /nfs/dbraw/zinc/12/79/60/556127960.db2.gz ZRSPJRJSVGKYDU-UHFFFAOYSA-N 0 0 443.477 4.882 50 0 IJAARN Cc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000002722259 556127999 /nfs/dbraw/zinc/12/79/99/556127999.db2.gz FTDNGHNYFYSUMY-UHFFFAOYSA-N 0 0 432.545 4.719 50 0 IJAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4cc(C)cc(C)c4)cccc3C2=O)c1 ZINC000002716555 556131320 /nfs/dbraw/zinc/13/13/20/556131320.db2.gz MUOPULVQHBPUPB-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1cccc2ccccc21 ZINC000002719701 556131831 /nfs/dbraw/zinc/13/18/31/556131831.db2.gz CECCGXCZIUVVDB-UHFFFAOYSA-N 0 0 445.569 4.765 50 0 IJAARN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCc2ccccc21 ZINC000002779027 556141375 /nfs/dbraw/zinc/14/13/75/556141375.db2.gz PAWWEEGXEQWNQG-UHFFFAOYSA-N 0 0 426.373 4.757 50 0 IJAARN O=C(Nc1ccc(Cl)cn1)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000002798400 556142162 /nfs/dbraw/zinc/14/21/62/556142162.db2.gz NZQZUEOXORCCBG-UHFFFAOYSA-N 0 0 442.100 4.636 50 0 IJAARN Cc1cccc(NC(=O)CSc2nsc(SCC(=O)Nc3cccc(C)c3)n2)c1 ZINC000008426555 556168841 /nfs/dbraw/zinc/16/88/41/556168841.db2.gz IPTOQFNKYVTZOB-UHFFFAOYSA-N 0 0 444.607 4.617 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccc(C)cc3)ccc21 ZINC000008436815 556173320 /nfs/dbraw/zinc/17/33/20/556173320.db2.gz BCURXBAMMWNZHT-UHFFFAOYSA-N 0 0 442.548 4.829 50 0 IJAARN O=C(c1cccs1)C1=NN(c2ccccc2)[C@@]2(SCC(=O)N2c2ccccc2)S1 ZINC000008438005 556174296 /nfs/dbraw/zinc/17/42/96/556174296.db2.gz GNASHUJXPMQFFB-NRFANRHFSA-N 0 0 437.571 4.889 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)cc1OC ZINC000008442414 556177421 /nfs/dbraw/zinc/17/74/21/556177421.db2.gz BMSYQKKBIXQWSE-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000008452477 556182766 /nfs/dbraw/zinc/18/27/66/556182766.db2.gz JGAGWIYJOYKISN-UHFFFAOYSA-N 0 0 429.303 4.941 50 0 IJAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000008594089 556189620 /nfs/dbraw/zinc/18/96/20/556189620.db2.gz AEVKUMMLBNIIMV-DEOSSOPVSA-N 0 0 443.478 4.510 50 0 IJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccc(F)cc1Cl ZINC000008614954 556192270 /nfs/dbraw/zinc/19/22/70/556192270.db2.gz MIKXWPXDKBWDMZ-UHFFFAOYSA-N 0 0 427.863 4.848 50 0 IJAARN O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)Nc1c(Cl)cccc1Cl ZINC000008626572 556193498 /nfs/dbraw/zinc/19/34/98/556193498.db2.gz RZFSZWCODMEYHA-UHFFFAOYSA-N 0 0 432.311 4.654 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1)C(F)(F)F ZINC000008637080 556195015 /nfs/dbraw/zinc/19/50/15/556195015.db2.gz KXOOURGKDRUYFU-SFHVURJKSA-N 0 0 430.810 4.605 50 0 IJAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000008670539 556198220 /nfs/dbraw/zinc/19/82/20/556198220.db2.gz VMFABBZIIJAPEI-GOSISDBHSA-N 0 0 444.318 4.646 50 0 IJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000008672682 556198555 /nfs/dbraw/zinc/19/85/55/556198555.db2.gz HZWBYAUOMMQLIR-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)c1 ZINC000008687362 556200245 /nfs/dbraw/zinc/20/02/45/556200245.db2.gz VMECJSJEXVHJBG-KGENOOAVSA-N 0 0 434.879 4.536 50 0 IJAARN O=c1c(=O)c(Nc2ccc(OC(F)(F)F)cc2)c1Nc1ccc(OC(F)(F)F)cc1 ZINC000008715201 556201824 /nfs/dbraw/zinc/20/18/24/556201824.db2.gz RAXXBBHGXJOVPU-UHFFFAOYSA-N 0 0 432.276 4.567 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000008737872 556204836 /nfs/dbraw/zinc/20/48/36/556204836.db2.gz LQIDFRGDSINPPB-JCYRPKCISA-N 0 0 428.488 4.527 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000008746010 556209419 /nfs/dbraw/zinc/20/94/19/556209419.db2.gz KQXOCHUQTNJYRW-UHFFFAOYSA-N 0 0 435.530 4.623 50 0 IJAARN Cc1c2ccccc2oc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000008846290 556227142 /nfs/dbraw/zinc/22/71/42/556227142.db2.gz NKEDWISDZZDWNK-UHFFFAOYSA-N 0 0 431.517 4.869 50 0 IJAARN O=C(c1ccccc1F)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000008995733 556239506 /nfs/dbraw/zinc/23/95/06/556239506.db2.gz OVKUQQIFPNRCMN-KRWDZBQOSA-N 0 0 447.915 4.569 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009161227 556249863 /nfs/dbraw/zinc/24/98/63/556249863.db2.gz FRCXOXKNSIUCQJ-NRFANRHFSA-N 0 0 432.863 4.908 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189599 556252609 /nfs/dbraw/zinc/25/26/09/556252609.db2.gz JOGAHSIPWPPRKX-SFHVURJKSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1 ZINC000009189596 556252615 /nfs/dbraw/zinc/25/26/15/556252615.db2.gz IFALMAUIPVUORM-FQEVSTJZSA-N 0 0 449.580 4.703 50 0 biogenic IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000009192620 556254129 /nfs/dbraw/zinc/25/41/29/556254129.db2.gz ZBHDMFOXJBJJNV-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009196875 556254759 /nfs/dbraw/zinc/25/47/59/556254759.db2.gz ZLMYXLWGGGRYPE-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCCO3)c(=O)oc12 ZINC000009215806 556258087 /nfs/dbraw/zinc/25/80/87/556258087.db2.gz LHIIOUFBNIJRDY-SFHVURJKSA-N 0 0 449.478 4.800 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1F ZINC000009225680 556259523 /nfs/dbraw/zinc/25/95/23/556259523.db2.gz MAIOFZLCLFYKFV-DEOSSOPVSA-N 0 0 436.483 4.753 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225765 556259854 /nfs/dbraw/zinc/25/98/54/556259854.db2.gz FOAPCKOUOSUBQY-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(F)cc3)c2c1 ZINC000009228321 556261103 /nfs/dbraw/zinc/26/11/03/556261103.db2.gz AVVOUURVNRMYOR-UHFFFAOYSA-N 0 0 445.494 4.708 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000009235677 556263491 /nfs/dbraw/zinc/26/34/91/556263491.db2.gz RIVAYPWYIUIJGC-UHFFFAOYSA-N 0 0 441.434 4.534 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239273 556265842 /nfs/dbraw/zinc/26/58/42/556265842.db2.gz YDDQTKMGXKRZFL-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239582 556266037 /nfs/dbraw/zinc/26/60/37/556266037.db2.gz NKPFMPWDXKTYJX-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239616 556266355 /nfs/dbraw/zinc/26/63/55/556266355.db2.gz OBTIDEVKRCBFPP-YADHBBJMSA-N 0 0 435.597 4.808 50 0 IJAARN O=C1N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1F ZINC000009262505 556269501 /nfs/dbraw/zinc/26/95/01/556269501.db2.gz NHURIUDAUCYHHY-WOJGMQOQSA-N 0 0 441.256 4.941 50 0 IJAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000009266050 556270674 /nfs/dbraw/zinc/27/06/74/556270674.db2.gz JBBOYXYXYCJNGF-UHFFFAOYSA-N 0 0 448.544 4.631 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000013683534 556274592 /nfs/dbraw/zinc/27/45/92/556274592.db2.gz FQAFRSZUBXFBMN-UHFFFAOYSA-N 0 0 431.467 4.540 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295001 556274642 /nfs/dbraw/zinc/27/46/42/556274642.db2.gz HCXMVDPJIXBZPQ-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009295105 556274894 /nfs/dbraw/zinc/27/48/94/556274894.db2.gz ONOSLCJKUGCLMC-VQTJNVASSA-N 0 0 441.988 4.844 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000013686627 556276701 /nfs/dbraw/zinc/27/67/01/556276701.db2.gz RBVOLMOGGYXJRG-UHFFFAOYSA-N 0 0 442.468 4.563 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000013689718 556279075 /nfs/dbraw/zinc/27/90/75/556279075.db2.gz ZETZKYOEUBFRKJ-DEOSSOPVSA-N 0 0 426.451 4.769 50 0 IJAARN O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000013691598 556281139 /nfs/dbraw/zinc/28/11/39/556281139.db2.gz FLOUJQOABOPRKO-RUZDIDTESA-N 0 0 437.478 4.880 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000009328247 556282307 /nfs/dbraw/zinc/28/23/07/556282307.db2.gz VUVDOICIFLLTDF-ZDUSSCGKSA-N 0 0 446.935 4.557 50 0 IJAARN O=c1n2nc(-c3cccs3)nc2c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000013693234 556282618 /nfs/dbraw/zinc/28/26/18/556282618.db2.gz RGBGGSMUDIQQCE-UHFFFAOYSA-N 0 0 436.537 4.900 50 0 IJAARN CCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccncc1 ZINC000013693408 556282904 /nfs/dbraw/zinc/28/29/04/556282904.db2.gz FESKZVZDCVUZEY-UHFFFAOYSA-N 0 0 425.554 4.694 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)COCc1cc(-c2cccs2)on1 ZINC000009436413 556291862 /nfs/dbraw/zinc/29/18/62/556291862.db2.gz OATFXODQCUDPSZ-UHFFFAOYSA-N 0 0 436.537 4.728 50 0 IJAARN O=C(C[C@@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000013727269 556293616 /nfs/dbraw/zinc/29/36/16/556293616.db2.gz MLOWCIDQMCJIQR-OAHLLOKOSA-N 0 0 447.442 4.761 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000009495652 556294774 /nfs/dbraw/zinc/29/47/74/556294774.db2.gz WDMJAYVXRKFFFM-LJQANCHMSA-N 0 0 438.329 4.585 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000013729958 556294841 /nfs/dbraw/zinc/29/48/41/556294841.db2.gz SPSMIVINZNHXRN-UHFFFAOYSA-N 0 0 445.607 4.985 50 0 IJAARN Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000009526020 556296729 /nfs/dbraw/zinc/29/67/29/556296729.db2.gz ZIMKCCFPWUXFEC-UHFFFAOYSA-N 0 0 446.503 4.996 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c[nH]nc4c3)n2Cc2ccco2)cc1 ZINC000009540579 556297355 /nfs/dbraw/zinc/29/73/55/556297355.db2.gz QUNSPOFPUXPUFO-UHFFFAOYSA-N 0 0 444.520 4.502 50 0 IJAARN O=C(COc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000013758910 556301546 /nfs/dbraw/zinc/30/15/46/556301546.db2.gz CELOWCPZCBKZJX-YADHBBJMSA-N 0 0 443.482 4.581 50 0 IJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000009601314 556302485 /nfs/dbraw/zinc/30/24/85/556302485.db2.gz ALWRHKKSZLFXJD-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c(=N)n(Cc3ccco3)cnc1O2 ZINC000013769675 556304603 /nfs/dbraw/zinc/30/46/03/556304603.db2.gz QHKYGRQFBTUILU-QFIPXVFZSA-N 0 0 435.487 4.784 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(OC)c2)cc1 ZINC000013770717 556305263 /nfs/dbraw/zinc/30/52/63/556305263.db2.gz APRWYINKARYVKB-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000032738488 556308569 /nfs/dbraw/zinc/30/85/69/556308569.db2.gz NRPRRVBQYRSJBD-UHFFFAOYSA-N 0 0 441.572 4.672 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013806439 556311157 /nfs/dbraw/zinc/31/11/57/556311157.db2.gz KRABEFAWQGNOTJ-QHAWAJNXSA-N 0 0 440.833 4.669 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 ZINC000009933982 556317551 /nfs/dbraw/zinc/31/75/51/556317551.db2.gz AHHFYRAFTDISKD-QFIPXVFZSA-N 0 0 435.524 4.584 50 0 IJAARN CCc1ccc(Nc2ncc3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000009935758 556318539 /nfs/dbraw/zinc/31/85/39/556318539.db2.gz NMKXFTKAMDCXKF-INIZCTEOSA-N 0 0 433.508 4.721 50 0 IJAARN CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 ZINC000009935763 556318682 /nfs/dbraw/zinc/31/86/82/556318682.db2.gz NMKXFTKAMDCXKF-MRXNPFEDSA-N 0 0 433.508 4.721 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000009972725 556319695 /nfs/dbraw/zinc/31/96/95/556319695.db2.gz CHBSFJVFMYDDOV-VWNXMTODSA-N 0 0 445.588 4.952 50 0 IJAARN CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)nc21 ZINC000010035030 556322788 /nfs/dbraw/zinc/32/27/88/556322788.db2.gz YPXAVVYWVAJVLT-HNNXBMFYSA-N 0 0 433.537 4.711 50 0 IJAARN CCOc1ccc([C@@H](NC(=O)CCc2nc(-c3ccco3)no2)C(C)C)cc1OCC ZINC000032753543 556322830 /nfs/dbraw/zinc/32/28/30/556322830.db2.gz ZSZYVMYHEQYFIE-QFIPXVFZSA-N 0 0 427.501 4.573 50 0 IJAARN Fc1ccccc1OCc1nnc(SCc2nc(-c3ccco3)no2)n1-c1ccccc1 ZINC000032754516 556323824 /nfs/dbraw/zinc/32/38/24/556323824.db2.gz QNJPKDLJHUEILE-UHFFFAOYSA-N 0 0 449.467 4.921 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000013880093 556325288 /nfs/dbraw/zinc/32/52/88/556325288.db2.gz KZZMSXYQFYFGBU-UHFFFAOYSA-N 0 0 431.517 4.515 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1ccc2ccccc21 ZINC000013895732 556328872 /nfs/dbraw/zinc/32/88/72/556328872.db2.gz FOVXVSCPRUJMGX-UHFFFAOYSA-N 0 0 429.476 4.550 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2c1 ZINC000010273877 556329052 /nfs/dbraw/zinc/32/90/52/556329052.db2.gz ZDRBIILAFBWUEO-UHFFFAOYSA-N 0 0 427.504 4.569 50 0 IJAARN CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1NC(=O)C1CCOCC1 ZINC000032768207 556333238 /nfs/dbraw/zinc/33/32/38/556333238.db2.gz NVEJPFMNAGDRNP-UHFFFAOYSA-N 0 0 438.343 4.719 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCc3nc(-c4ccsc4)no3)sc2C)cc1 ZINC000032768171 556333297 /nfs/dbraw/zinc/33/32/97/556333297.db2.gz FHUPOUODJRFPCU-UHFFFAOYSA-N 0 0 426.523 4.810 50 0 IJAARN COc1ccc(C[C@@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)c2ccc(OC)cc2)cc1 ZINC000032768805 556333522 /nfs/dbraw/zinc/33/35/22/556333522.db2.gz RJKHFVYIVPWGTC-AREMUKBSSA-N 0 0 449.595 4.816 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000064452352 556341554 /nfs/dbraw/zinc/34/15/54/556341554.db2.gz XPJWYWCUPSGPRZ-JOCHJYFZSA-N 0 0 430.552 4.543 50 0 IJAARN CCOc1ccc2nc(NC(=O)[C@@H](Sc3nnc(N)s3)c3ccccc3)sc2c1 ZINC000013945443 556342740 /nfs/dbraw/zinc/34/27/40/556342740.db2.gz FVMVZYKCKRIYFN-HNNXBMFYSA-N 0 0 443.579 4.601 50 0 IJAARN COc1cc(/C=C2\NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1 ZINC000013958165 556345584 /nfs/dbraw/zinc/34/55/84/556345584.db2.gz XFXAQTPPTPRDOU-MOSHPQCFSA-N 0 0 434.492 4.676 50 0 IJAARN O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)NCC12CC3CC(CC(C3)C1)C2 ZINC000013960073 556347064 /nfs/dbraw/zinc/34/70/64/556347064.db2.gz DGYRBXLSHAQJGX-UHFFFAOYSA-N 0 0 442.348 4.793 50 0 IJAARN COc1cccc(CN(C)C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)c1 ZINC000011767184 556349723 /nfs/dbraw/zinc/34/97/23/556349723.db2.gz WYMPRVMQTNWERB-UHFFFAOYSA-N 0 0 439.943 4.793 50 0 IJAARN O=C(c1c(Cl)cccc1Cl)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000013967520 556350258 /nfs/dbraw/zinc/35/02/58/556350258.db2.gz YGVRZDKWYHLJFT-UHFFFAOYSA-N 0 0 432.134 4.898 50 0 IJAARN COc1cccc(-c2noc(CS[C@H](C)C(=O)Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000032779088 556352543 /nfs/dbraw/zinc/35/25/43/556352543.db2.gz LPRXAHPRHHCFIX-GFCCVEGCSA-N 0 0 433.917 4.668 50 0 IJAARN Cn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2Br)o1 ZINC000014086476 556364649 /nfs/dbraw/zinc/36/46/49/556364649.db2.gz LNIMZYVTUJJUEI-UHFFFAOYSA-N 0 0 442.342 4.511 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000011843187 556366244 /nfs/dbraw/zinc/36/62/44/556366244.db2.gz DPIJWKWLWSDPMI-UHFFFAOYSA-N 0 0 437.506 4.871 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)n1c2ccccc2oc1=O ZINC000014112017 556370201 /nfs/dbraw/zinc/37/02/01/556370201.db2.gz WMLBEEWVFXGZTM-OAHLLOKOSA-N 0 0 429.501 4.995 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000014115178 556370663 /nfs/dbraw/zinc/37/06/63/556370663.db2.gz IAAWDBISKNXRRS-DEOSSOPVSA-N 0 0 432.564 4.589 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014122003 556372277 /nfs/dbraw/zinc/37/22/77/556372277.db2.gz RVLQTQXXDJDNAA-KNQAVFIVSA-N 0 0 431.561 4.967 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000011910337 556374974 /nfs/dbraw/zinc/37/49/74/556374974.db2.gz KEGDKHMCCJZPNC-RBJSKKJNSA-N 0 0 444.550 4.967 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCCC1=CCCCC1 ZINC000014137664 556375840 /nfs/dbraw/zinc/37/58/40/556375840.db2.gz GWBNLEDINZJMHE-CYBMUJFWSA-N 0 0 436.375 4.986 50 0 IJAARN O=C(Cn1nc2ccccc2n1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000011933810 556377242 /nfs/dbraw/zinc/37/72/42/556377242.db2.gz STCPSBGOTYGDDJ-VWLOTQADSA-N 0 0 441.922 4.740 50 0 IJAARN CC(C)(C)c1cc(CCC(=O)NCc2nc(-c3ccncc3)no2)cc(C(C)(C)C)c1O ZINC000014159690 556378227 /nfs/dbraw/zinc/37/82/27/556378227.db2.gz GETAGRSZMCVHRR-UHFFFAOYSA-N 0 0 436.556 4.681 50 0 IJAARN O=C(c1ccc(SC(F)(F)F)cc1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000014181674 556382459 /nfs/dbraw/zinc/38/24/59/556382459.db2.gz KZMMAXPPAOJNAS-UHFFFAOYSA-N 0 0 431.483 4.805 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC2(C[C@H]2C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000011974863 556383261 /nfs/dbraw/zinc/38/32/61/556383261.db2.gz TXHAXEONDCEDHB-QFIPXVFZSA-N 0 0 444.579 4.619 50 0 IJAARN O=C(CCc1cccnc1)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012022448 556387025 /nfs/dbraw/zinc/38/70/25/556387025.db2.gz SJXLVVHSZFCWEA-SFHVURJKSA-N 0 0 426.438 4.820 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S ZINC000014189763 556387306 /nfs/dbraw/zinc/38/73/06/556387306.db2.gz DGSDSGSWAWDWEH-UHFFFAOYSA-N 0 0 438.988 4.606 50 0 IJAARN COCc1ccc(C(=O)NC[C@@H]2Cc3cc(C)cc(-c4nc5ccccc5s4)c3O2)o1 ZINC000012031119 556388917 /nfs/dbraw/zinc/38/89/17/556388917.db2.gz FATYYBGGZYQDTR-KRWDZBQOSA-N 0 0 434.517 4.745 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccnc(Cl)c2)C3)s1 ZINC000012034876 556389580 /nfs/dbraw/zinc/38/95/80/556389580.db2.gz LWASGIHHTRQZEJ-HNNXBMFYSA-N 0 0 430.888 4.539 50 0 IJAARN Cc1cc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)s1 ZINC000014200042 556390546 /nfs/dbraw/zinc/39/05/46/556390546.db2.gz ABBZMFNNRXSUIE-UHFFFAOYSA-N 0 0 448.610 4.531 50 0 IJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000032816599 556392671 /nfs/dbraw/zinc/39/26/71/556392671.db2.gz WUKLLOSYGGVHEK-LJQANCHMSA-N 0 0 428.532 4.672 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000012062057 556395121 /nfs/dbraw/zinc/39/51/21/556395121.db2.gz YACCIGOXNCQUKT-FQEVSTJZSA-N 0 0 432.568 4.514 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)nc1-c1ccccc1 ZINC000014228050 556395753 /nfs/dbraw/zinc/39/57/53/556395753.db2.gz NPYXCDPYBXMHBR-GOSISDBHSA-N 0 0 439.512 4.545 50 0 IJAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000012073679 556396332 /nfs/dbraw/zinc/39/63/32/556396332.db2.gz KBEJJUDCDCSBSL-UHFFFAOYSA-N 0 0 430.932 4.986 50 0 IJAARN Cc1ccc(-c2nc(SCCCN3C(=O)c4cccc5cccc(c54)C3=O)n[nH]2)cc1 ZINC000012080460 556398583 /nfs/dbraw/zinc/39/85/83/556398583.db2.gz BULTTYUXSFQFDA-UHFFFAOYSA-N 0 0 428.517 4.712 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc5c(c4)OCCO5)cc3)n2)cc1 ZINC000032578478 556405116 /nfs/dbraw/zinc/40/51/16/556405116.db2.gz QYPCVLYKGRWXSJ-UHFFFAOYSA-N 0 0 443.459 4.501 50 0 IJAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3C)CC2)c(C)c1 ZINC000219306425 556409133 /nfs/dbraw/zinc/40/91/33/556409133.db2.gz IVCLLGPHHMJAEB-FQEVSTJZSA-N 0 0 432.611 4.521 50 0 IJAARN CC(C)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1 ZINC000032623810 556410980 /nfs/dbraw/zinc/41/09/80/556410980.db2.gz XUDDJNHAZGXHBI-UHFFFAOYSA-N 0 0 448.903 4.586 50 0 IJAARN Cc1cc(C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1CCC(C)C ZINC000014358189 556414184 /nfs/dbraw/zinc/41/41/84/556414184.db2.gz CGJFBQPPTFSCTD-UHFFFAOYSA-N 0 0 449.473 4.946 50 0 IJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032678943 556416274 /nfs/dbraw/zinc/41/62/74/556416274.db2.gz BLKSYIWWVDJWQE-UHFFFAOYSA-N 0 0 442.943 4.550 50 0 IJAARN COc1ccc(NC(=O)c2cc(Br)ccc2F)cc1OCc1cccnc1 ZINC000032832237 556417351 /nfs/dbraw/zinc/41/73/51/556417351.db2.gz FARDVLSJUICFCM-UHFFFAOYSA-N 0 0 431.261 4.823 50 0 IJAARN COc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1OCc1ccncc1 ZINC000032832301 556417373 /nfs/dbraw/zinc/41/73/73/556417373.db2.gz QUXNQJPCRUTTNE-UHFFFAOYSA-N 0 0 433.291 4.994 50 0 IJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000012947042 556417920 /nfs/dbraw/zinc/41/79/20/556417920.db2.gz OFHSDLSMXXZRGY-INIZCTEOSA-N 0 0 449.878 4.902 50 0 IJAARN C[C@@H](Oc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012985854 556426740 /nfs/dbraw/zinc/42/67/40/556426740.db2.gz MTMUSKQUTPTMLO-CQSZACIVSA-N 0 0 428.895 4.870 50 0 IJAARN Cc1ccc(C(=O)OCc2nc(-c3ccccc3Cl)no2)cc1NC(=O)c1ccco1 ZINC000012993759 556429702 /nfs/dbraw/zinc/42/97/02/556429702.db2.gz MUCXEPBTJQBZEU-UHFFFAOYSA-N 0 0 437.839 4.901 50 0 IJAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000032685509 556429713 /nfs/dbraw/zinc/42/97/13/556429713.db2.gz AUKOPWWMQNKHCZ-QGZVFWFLSA-N 0 0 428.467 4.755 50 0 IJAARN C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(Cl)cc1Cl ZINC000012996375 556431313 /nfs/dbraw/zinc/43/13/13/556431313.db2.gz HNWLPAAWMZPJBM-SNVBAGLBSA-N 0 0 436.364 4.590 50 0 IJAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3nc(C)c4ccccc4c3=O)n2)cc1 ZINC000012998159 556432148 /nfs/dbraw/zinc/43/21/48/556432148.db2.gz FTDHNAOOGPRHEZ-OAHLLOKOSA-N 0 0 432.549 4.981 50 0 IJAARN COc1cccc(NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)c1 ZINC000032688999 556432868 /nfs/dbraw/zinc/43/28/68/556432868.db2.gz MGTXBKAXOYGSJS-UHFFFAOYSA-N 0 0 435.407 4.751 50 0 IJAARN Cc1sc2nc(-c3cccnc3)nc(NCc3ccc(Cn4cncn4)cc3)c2c1C ZINC000032855852 556433371 /nfs/dbraw/zinc/43/33/71/556433371.db2.gz ZJHZGBFLSANQSG-UHFFFAOYSA-N 0 0 427.537 4.622 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000013001107 556433367 /nfs/dbraw/zinc/43/33/67/556433367.db2.gz ZROJNLITQZBJON-UHFFFAOYSA-N 0 0 447.333 4.824 50 0 IJAARN Cc1c(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000013003725 556434560 /nfs/dbraw/zinc/43/45/60/556434560.db2.gz LWFKFMKCVIMSFJ-ZIAGYGMSSA-N 0 0 428.602 4.665 50 0 IJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000011026013 556435745 /nfs/dbraw/zinc/43/57/45/556435745.db2.gz MAZDQBPBYXGQFG-UHFFFAOYSA-N 0 0 433.895 4.673 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000013014541 556437110 /nfs/dbraw/zinc/43/71/10/556437110.db2.gz ATAANAYASRLLNM-UHFFFAOYSA-N 0 0 438.549 4.896 50 0 IJAARN CCOc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OC ZINC000027994902 556441059 /nfs/dbraw/zinc/44/10/59/556441059.db2.gz SPZTVGTXQSLHQL-UHFFFAOYSA-N 0 0 447.944 4.900 50 0 IJAARN C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000028189762 556444918 /nfs/dbraw/zinc/44/49/18/556444918.db2.gz XBVZUGDWFUAWFS-CYBMUJFWSA-N 0 0 425.945 4.811 50 0 IJAARN Cn1c2ccccc2n(CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1=O ZINC000014779211 556445513 /nfs/dbraw/zinc/44/55/13/556445513.db2.gz MYNWEQBDHJRSJH-UHFFFAOYSA-N 0 0 428.517 4.646 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)cc1OC ZINC000028287269 556447855 /nfs/dbraw/zinc/44/78/55/556447855.db2.gz OHJZUJOUTDKGPS-UHFFFAOYSA-N 0 0 427.526 4.637 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc2OC(F)F)cc1 ZINC000032862229 556448037 /nfs/dbraw/zinc/44/80/37/556448037.db2.gz FIOBNZOCDDKXRR-UHFFFAOYSA-N 0 0 429.467 4.885 50 0 IJAARN Cc1cc(C(=O)COc2c(C)cccc2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013059570 556450017 /nfs/dbraw/zinc/45/00/17/556450017.db2.gz PKPQYBRMVLPUEY-UHFFFAOYSA-N 0 0 443.547 4.771 50 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COc1cccc([C@H]2CCCN2C(=O)c2cc(COc3cccc4cccnc43)on2)c1 ZINC000014978933 556469956 /nfs/dbraw/zinc/46/99/56/556469956.db2.gz YDUXXXHVGYLRFP-JOCHJYFZSA-N 0 0 429.476 4.788 50 0 IJAARN Cc1noc2ncc(C(=O)N[C@@H](C)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)cc12 ZINC000029295451 556471964 /nfs/dbraw/zinc/47/19/64/556471964.db2.gz KCUBRTMXIXUWRJ-NSHDSACASA-N 0 0 429.402 4.535 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000013127185 556475728 /nfs/dbraw/zinc/47/57/28/556475728.db2.gz TVHKAQHCZSRLDN-RTBURBONSA-N 0 0 449.898 4.932 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013127662 556476431 /nfs/dbraw/zinc/47/64/31/556476431.db2.gz MQDOLISMGQJILF-RYUDHWBXSA-N 0 0 443.550 4.771 50 0 IJAARN Cc1nc(NCc2ccc3c(c2)OCO3)sc1-c1ccn(CCCc2cccc(C)n2)n1 ZINC000014996692 556478242 /nfs/dbraw/zinc/47/82/42/556478242.db2.gz JOUFOAXAEFHIHE-UHFFFAOYSA-N 0 0 447.564 4.992 50 0 IJAARN COc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(NC(C)=O)cc4)cs3)cc2c1 ZINC000029770030 556482120 /nfs/dbraw/zinc/48/21/20/556482120.db2.gz LNASFKMNEFMLRG-UHFFFAOYSA-N 0 0 432.505 4.886 50 0 IJAARN Cc1csc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)n1 ZINC000029775475 556482146 /nfs/dbraw/zinc/48/21/46/556482146.db2.gz WQYZTIIALQPUGS-IBGZPJMESA-N 0 0 438.940 4.566 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000013134994 556483057 /nfs/dbraw/zinc/48/30/57/556483057.db2.gz LIDFICUKUKRHDE-CQSZACIVSA-N 0 0 427.595 4.722 50 0 IJAARN CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000072289136 556483524 /nfs/dbraw/zinc/48/35/24/556483524.db2.gz XIUIMHGVQRTYQW-QHCPKHFHSA-N 0 0 444.597 4.626 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000015015523 556484803 /nfs/dbraw/zinc/48/48/03/556484803.db2.gz UTEZLMFATYVEGZ-YBEGLDIGSA-N 0 0 433.327 4.565 50 0 IJAARN O=S(=O)(CCSc1nn(-c2ccccc2)c(=S)s1)c1ccc(Cl)cc1 ZINC000029872025 556484867 /nfs/dbraw/zinc/48/48/67/556484867.db2.gz BUEPLMHVCSJJRU-UHFFFAOYSA-N 0 0 429.013 4.883 50 0 IJAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(I)c1OC ZINC000015016314 556485468 /nfs/dbraw/zinc/48/54/68/556485468.db2.gz VBCTXPJSKHFOIK-SOFGYWHQSA-N 0 0 433.245 4.733 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2c1 ZINC000013141280 556486573 /nfs/dbraw/zinc/48/65/73/556486573.db2.gz LPRXFCPMGYARHO-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000013148876 556490391 /nfs/dbraw/zinc/49/03/91/556490391.db2.gz OLFZOQSAUGEOJD-UHFFFAOYSA-N 0 0 425.941 4.655 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)NCCSCc1ccc(Br)s1 ZINC000030201595 556491344 /nfs/dbraw/zinc/49/13/44/556491344.db2.gz PQPVKADDOMNWTF-UHFFFAOYSA-N 0 0 443.413 4.819 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)on1 ZINC000013150013 556491988 /nfs/dbraw/zinc/49/19/88/556491988.db2.gz WKWXVKYIMXWTHY-UHFFFAOYSA-N 0 0 437.525 4.603 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000004555144 556493426 /nfs/dbraw/zinc/49/34/26/556493426.db2.gz YIZQBSMCDCJFPP-NDEPHWFRSA-N 0 0 425.528 4.881 50 0 IJAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3ccc4cccc(OC)c4n3)C2)c1 ZINC000015068061 556493899 /nfs/dbraw/zinc/49/38/99/556493899.db2.gz HXLDTRKYPJIBRB-IBGZPJMESA-N 0 0 433.552 4.565 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 ZINC000013163857 556494748 /nfs/dbraw/zinc/49/47/48/556494748.db2.gz JNQMSSZGSWNFRA-HXUWFJFHSA-N 0 0 434.521 4.864 50 0 IJAARN C[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccc(Cl)cc1 ZINC000015070392 556495460 /nfs/dbraw/zinc/49/54/60/556495460.db2.gz SLJOQLZILPXZQG-MRXNPFEDSA-N 0 0 426.944 4.611 50 0 IJAARN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c(OC)c1OC ZINC000015108701 556504574 /nfs/dbraw/zinc/50/45/74/556504574.db2.gz MDXGFWLLBZDQIB-UHFFFAOYSA-N 0 0 449.326 4.851 50 0 IJAARN CC(=O)N[C@H](CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cccs1 ZINC000032879909 556507505 /nfs/dbraw/zinc/50/75/05/556507505.db2.gz FDTUSCZLAPNQCD-VNTJQVDLSA-N 0 0 430.573 4.729 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000032888417 556511163 /nfs/dbraw/zinc/51/11/63/556511163.db2.gz GTNMYOUOVDRIPZ-UHFFFAOYSA-N 0 0 436.335 4.738 50 0 IJAARN O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000013554851 556515765 /nfs/dbraw/zinc/51/57/65/556515765.db2.gz LHNZLAIWDJBFDM-UHFFFAOYSA-N 0 0 443.591 4.684 50 0 IJAARN Cc1cc(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000013557316 556517147 /nfs/dbraw/zinc/51/71/47/556517147.db2.gz JOEIMPLWKHJURK-UHFFFAOYSA-N 0 0 441.524 4.533 50 0 IJAARN CN(C(=O)COc1ccc(Cl)cc1Cl)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000004568423 556520767 /nfs/dbraw/zinc/52/07/67/556520767.db2.gz HECMDJRXSTURFK-UHFFFAOYSA-N 0 0 427.372 4.592 50 0 IJAARN COCCCNC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O ZINC000013572497 556522850 /nfs/dbraw/zinc/52/28/50/556522850.db2.gz VHWUYKNIPPFDRG-UHFFFAOYSA-N 0 0 437.467 4.657 50 0 IJAARN CCCCCC[C@H](C)N(C(=O)c1ccc(=O)n(CCCC)n1)c1ccccc1C(=O)OC ZINC000072300861 556523512 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IJAARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1Br ZINC000013601798 556532670 /nfs/dbraw/zinc/53/26/70/556532670.db2.gz VCGRAZNCERSHLE-UHFFFAOYSA-N 0 0 437.297 4.834 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015518701 556532938 /nfs/dbraw/zinc/53/29/38/556532938.db2.gz MEQPUIURZRZVHT-MRXNPFEDSA-N 0 0 428.337 4.681 50 0 IJAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccccc1CSc1nc2ccccc2s1 ZINC000015645749 556540167 /nfs/dbraw/zinc/54/01/67/556540167.db2.gz PBFAODUSIZWKEA-UHFFFAOYSA-N 0 0 444.545 4.817 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2CC(C)C)cc1OC ZINC000032579365 556541457 /nfs/dbraw/zinc/54/14/57/556541457.db2.gz LSKYBIZHHPKMNE-UHFFFAOYSA-N 0 0 429.517 4.732 50 0 IJAARN O=C(Nc1ccc(Br)c2cccnc12)c1cnn2c1nccc2-c1ccco1 ZINC000013644546 556543307 /nfs/dbraw/zinc/54/33/07/556543307.db2.gz ATRAMLLNDZLFDH-UHFFFAOYSA-N 0 0 434.253 4.552 50 0 IJAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)cc1 ZINC000015778909 556550907 /nfs/dbraw/zinc/55/09/07/556550907.db2.gz WRNCAHNBUNUWLZ-UHFFFAOYSA-N 0 0 431.359 4.611 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(OC(C)C)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997294 556551427 /nfs/dbraw/zinc/55/14/27/556551427.db2.gz RTKJIMLQTZEMEN-JOCHJYFZSA-N 0 0 436.537 4.882 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1F)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997898 556551926 /nfs/dbraw/zinc/55/19/26/556551926.db2.gz JLDBVBZRXCMHJK-IBGZPJMESA-N 0 0 432.427 4.512 50 0 IJAARN O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032906590 556553345 /nfs/dbraw/zinc/55/33/45/556553345.db2.gz DXKVZYRUULOMOB-AREMUKBSSA-N 0 0 426.472 4.602 50 0 IJAARN CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c2ccccc2n1 ZINC000015812186 556553450 /nfs/dbraw/zinc/55/34/50/556553450.db2.gz QIYPYENYRVZMFI-UHFFFAOYSA-N 0 0 425.554 4.639 50 0 IJAARN COc1cc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc(OC)c1OC ZINC000015833729 556555297 /nfs/dbraw/zinc/55/52/97/556555297.db2.gz OAQTXSCGSJGIEZ-UHFFFAOYSA-N 0 0 432.929 4.728 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3ccccc3C(F)(F)F)nn2c(C)c1Cc1ccccc1 ZINC000013681787 556556973 /nfs/dbraw/zinc/55/69/73/556556973.db2.gz LNCWQWIMSGJELV-UHFFFAOYSA-N 0 0 439.441 4.532 50 0 IJAARN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274546 556558450 /nfs/dbraw/zinc/55/84/50/556558450.db2.gz VODOOMZEROIZRJ-SFHVURJKSA-N 0 0 428.598 4.632 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1 ZINC000033569651 556565963 /nfs/dbraw/zinc/56/59/63/556565963.db2.gz DNWXCKQTZUJCPO-UHFFFAOYSA-N 0 0 445.519 4.944 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)OCc2ccco2)cc1 ZINC000015944881 556566586 /nfs/dbraw/zinc/56/65/86/556566586.db2.gz FVQKYYSBHYITCH-BKUYFWCQSA-N 0 0 447.487 4.820 50 0 IJAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCC[C@H](C)C2)CCC3)cc1 ZINC000015946031 556567085 /nfs/dbraw/zinc/56/70/85/556567085.db2.gz IRBKKNKWSQXHHA-INIZCTEOSA-N 0 0 441.597 4.558 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCCC2 ZINC000015946956 556567801 /nfs/dbraw/zinc/56/78/01/556567801.db2.gz BJUSIEMYDJCGNK-UHFFFAOYSA-N 0 0 441.597 4.702 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000015974732 556570315 /nfs/dbraw/zinc/57/03/15/556570315.db2.gz FFVBMKDOSLTQIY-QGZVFWFLSA-N 0 0 448.589 4.975 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NC(=O)c3ccc(Br)cc3)cc2OC)s1 ZINC000032961268 556572176 /nfs/dbraw/zinc/57/21/76/556572176.db2.gz MDWJBPJFSZEKQB-UHFFFAOYSA-N 0 0 434.315 4.668 50 0 IJAARN O=c1c(CN2CCC(O)(c3ccc(Br)cc3)CC2)coc2ccc(Cl)cc12 ZINC000016662770 556575825 /nfs/dbraw/zinc/57/58/25/556575825.db2.gz BPKJTRPVAYWRIC-UHFFFAOYSA-N 0 0 448.744 4.693 50 0 IJAARN CCOC(=O)C[C@H](OC(=O)CCc1c(C)nn(C)c1C)c1cc(Cl)cc(Cl)c1 ZINC000072310807 556576958 /nfs/dbraw/zinc/57/69/58/556576958.db2.gz JHRVHNVOBTZINM-SFHVURJKSA-N 0 0 427.328 4.514 50 0 IJAARN O=C(O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000072310827 556576962 /nfs/dbraw/zinc/57/69/62/556576962.db2.gz ADWZPORUJSJHRS-OAHLLOKOSA-N 0 0 432.320 4.695 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C ZINC000016035477 556577426 /nfs/dbraw/zinc/57/74/26/556577426.db2.gz LVLYSEFDFDAHTR-VQIMIIECSA-N 0 0 437.569 4.831 50 0 IJAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl ZINC000022130616 556577890 /nfs/dbraw/zinc/57/78/90/556577890.db2.gz QSVBROQXSOISGX-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1 ZINC000022130523 556577955 /nfs/dbraw/zinc/57/79/55/556577955.db2.gz MHINXKRJMBVSJH-NRFANRHFSA-N 0 0 437.952 4.933 50 0 IJAARN O=c1c(Cl)c(NCc2ncc(-c3ccccc3)o2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000032911803 556585145 /nfs/dbraw/zinc/58/51/45/556585145.db2.gz ONKBMOKXIQCQKL-UHFFFAOYSA-N 0 0 447.804 4.567 50 0 IJAARN Cc1ccc(N2C(=N)S/C(=C\c3cc4c(cc3Br)OCO4)C2=O)cc1C ZINC000016157453 556586056 /nfs/dbraw/zinc/58/60/56/556586056.db2.gz LMXZHBHMODHAJK-FHRZLPSCSA-N 0 0 431.311 4.850 50 0 IJAARN Cc1nc2cc(NC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)ccc2n1-c1ccccc1 ZINC000032971816 556589881 /nfs/dbraw/zinc/58/98/81/556589881.db2.gz JTTUTIVQVGKIDA-FQEVSTJZSA-N 0 0 447.926 4.726 50 0 IJAARN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCNC(=O)c2ccccc2Cl)c1 ZINC000032912927 556593734 /nfs/dbraw/zinc/59/37/34/556593734.db2.gz UBXBWZNNVTXEKY-UHFFFAOYSA-N 0 0 438.959 4.890 50 0 IJAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccc(Br)c1 ZINC000032973833 556595053 /nfs/dbraw/zinc/59/50/53/556595053.db2.gz JDAYQQPPXBPWIC-AWEZNQCLSA-N 0 0 444.301 4.502 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC000016310530 556599331 /nfs/dbraw/zinc/59/93/31/556599331.db2.gz KEIVREZSUXWOHA-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CN(C(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)C1CCCCC1 ZINC000032975614 556600175 /nfs/dbraw/zinc/60/01/75/556600175.db2.gz VTOWJESKZZBAJG-UHFFFAOYSA-N 0 0 438.952 4.709 50 0 IJAARN CCOC(=O)c1sc(NC(=S)N2c3ccccc3C[C@@H]2C)c(C(=O)OCC)c1C ZINC000016346704 556601584 /nfs/dbraw/zinc/60/15/84/556601584.db2.gz STWHNILLLBIMFJ-LBPRGKRZSA-N 0 0 432.567 4.558 50 0 IJAARN CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc1OCC ZINC000016361259 556602296 /nfs/dbraw/zinc/60/22/96/556602296.db2.gz ROYSIXNUJYRONQ-FQEVSTJZSA-N 0 0 445.972 4.569 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2OC2CCCC2)NC(=O)N1 ZINC000016361951 556602927 /nfs/dbraw/zinc/60/29/27/556602927.db2.gz ZJUAOKORLFMQCX-OAQYLSRUSA-N 0 0 425.916 4.928 50 0 IJAARN COc1ccccc1OCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000016382196 556603860 /nfs/dbraw/zinc/60/38/60/556603860.db2.gz NWNHHEIVTINEKF-UHFFFAOYSA-N 0 0 434.536 4.868 50 0 IJAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000016425744 556606239 /nfs/dbraw/zinc/60/62/39/556606239.db2.gz FMODCWMNFKOSDH-CALCHBBNSA-N 0 0 439.556 4.735 50 0 IJAARN COc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc21 ZINC000032986772 556606467 /nfs/dbraw/zinc/60/64/67/556606467.db2.gz ARHZKGHTUZYYHG-UHFFFAOYSA-N 0 0 438.531 4.576 50 0 IJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000016426367 556606531 /nfs/dbraw/zinc/60/65/31/556606531.db2.gz SIDFGEYTUXEGGJ-UHFFFAOYSA-N 0 0 447.579 4.787 50 0 IJAARN C[C@@H]1CCCC[C@H]1N1CC(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000033686450 556621264 /nfs/dbraw/zinc/62/12/64/556621264.db2.gz IFAMPEKMURVOMQ-FQQGMQMYSA-N 0 0 428.935 4.970 50 0 IJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C(C)C ZINC000033681305 556621318 /nfs/dbraw/zinc/62/13/18/556621318.db2.gz MGAKRGXKIHMXHP-UHFFFAOYSA-N 0 0 448.604 4.636 50 0 IJAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000005047477 556627168 /nfs/dbraw/zinc/62/71/68/556627168.db2.gz XHSQMQUNBJQWIF-SFHVURJKSA-N 0 0 429.513 4.579 50 0 IJAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)cc2)no1 ZINC000032999099 556627309 /nfs/dbraw/zinc/62/73/09/556627309.db2.gz MUHLFPLZKDPYGW-UHFFFAOYSA-N 0 0 445.445 4.672 50 0 IJAARN CCCN(CCC)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000033797401 556636105 /nfs/dbraw/zinc/63/61/05/556636105.db2.gz TXKSOUSMZOMWQS-UHFFFAOYSA-N 0 0 428.476 4.768 50 0 IJAARN CCCC[C@H](CC)C(=O)N(CCC)CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1 ZINC000033789394 556636342 /nfs/dbraw/zinc/63/63/42/556636342.db2.gz GCCHWFQCIHTEQJ-KRWDZBQOSA-N 0 0 446.617 4.997 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016749766 556636845 /nfs/dbraw/zinc/63/68/45/556636845.db2.gz JEDAHVKHTLHWPH-DEOSSOPVSA-N 0 0 425.484 4.980 50 0 IJAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016750418 556637113 /nfs/dbraw/zinc/63/71/13/556637113.db2.gz QTYFTDVTORTBDS-XXBNENTESA-N 0 0 433.504 4.696 50 0 IJAARN CCc1nn2c(nnc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040391644 556637994 /nfs/dbraw/zinc/63/79/94/556637994.db2.gz CPUOXHHYJOJPJI-UHFFFAOYSA-N 0 0 433.874 4.509 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)Cn4nnc(-c5ccccc5)n4)cc3)sc2c1 ZINC000033853673 556642850 /nfs/dbraw/zinc/64/28/50/556642850.db2.gz QTFHMENFIQALIK-UHFFFAOYSA-N 0 0 426.505 4.564 50 0 IJAARN Cc1nn(C)c2nc(C)c(CCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)c(C)c12 ZINC000011712024 556643271 /nfs/dbraw/zinc/64/32/71/556643271.db2.gz UKHYIJHRJGTJLO-QHCPKHFHSA-N 0 0 436.556 4.933 50 0 IJAARN Cc1occc1-c1nnc(SCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1C ZINC000016810503 556644705 /nfs/dbraw/zinc/64/47/05/556644705.db2.gz HUCKGWBWPDHMRP-UHFFFAOYSA-N 0 0 447.495 4.514 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841449 556646096 /nfs/dbraw/zinc/64/60/96/556646096.db2.gz AMIDYWVZSUHOKT-UHFFFAOYSA-N 0 0 442.903 4.928 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NC(C)C)c2)c1 ZINC000037600722 556646256 /nfs/dbraw/zinc/64/62/56/556646256.db2.gz LWZKAWGHJMAVAB-UHFFFAOYSA-N 0 0 434.511 4.748 50 0 IJAARN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)c1 ZINC000016846478 556647095 /nfs/dbraw/zinc/64/70/95/556647095.db2.gz GKERTTDLMHLYPK-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN C[C@H]1Cc2nc(SCC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2S1 ZINC000011726665 556647669 /nfs/dbraw/zinc/64/76/69/556647669.db2.gz IQJUSHWSTLXRAZ-ZDUSSCGKSA-N 0 0 428.966 4.898 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccccc3C)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623560 556648180 /nfs/dbraw/zinc/64/81/80/556648180.db2.gz LAVLKUZJVZNZGJ-UNMCSNQZSA-N 0 0 430.552 4.808 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N(C)Cc1ccccc1 ZINC000038654761 556653888 /nfs/dbraw/zinc/65/38/88/556653888.db2.gz SECZPRGTZGLUAJ-UHFFFAOYSA-N 0 0 431.565 4.897 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCc4ccccc4C)cc3)c2cc1C ZINC000033006127 556655206 /nfs/dbraw/zinc/65/52/06/556655206.db2.gz DIDSOSBLZXNRMM-UHFFFAOYSA-N 0 0 425.532 4.608 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2cc1C ZINC000033005964 556655260 /nfs/dbraw/zinc/65/52/60/556655260.db2.gz KJRRTZGHJMWYHF-UHFFFAOYSA-N 0 0 445.950 4.953 50 0 IJAARN O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)c(Cl)c1 ZINC000011794355 556656325 /nfs/dbraw/zinc/65/63/25/556656325.db2.gz HFAXCPIVJMNPMN-UHFFFAOYSA-N 0 0 434.880 4.625 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1C ZINC000033007654 556656588 /nfs/dbraw/zinc/65/65/88/556656588.db2.gz WEQBGLHULUMRLH-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)Nc1ccc3nc(NC(C)=O)sc3c1)CCCC2 ZINC000033008189 556656759 /nfs/dbraw/zinc/65/67/59/556656759.db2.gz ZMQBKEBCLSZPCW-UHFFFAOYSA-N 0 0 444.538 4.626 50 0 IJAARN COc1cccc(CNC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2N2CCCC2)c1 ZINC000033009484 556657598 /nfs/dbraw/zinc/65/75/98/556657598.db2.gz YUECDXDHUSKUCL-UHFFFAOYSA-N 0 0 444.535 4.869 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccc(Cl)cc5)n4n3)CC2)c1 ZINC000033010089 556657965 /nfs/dbraw/zinc/65/79/65/556657965.db2.gz XRWUENUVQPZZLD-UHFFFAOYSA-N 0 0 446.942 4.608 50 0 IJAARN CCn1c(COc2cc(C)c(Cl)c(C)c2)nnc1SCC(=O)Nc1ccccc1 ZINC000017097290 556661511 /nfs/dbraw/zinc/66/15/11/556661511.db2.gz LAKOWUAXOAQMDJ-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCCC2)[nH]c(=O)c1C ZINC000011854876 556661667 /nfs/dbraw/zinc/66/16/67/556661667.db2.gz CFCVSHBIMKNNHY-UHFFFAOYSA-N 0 0 425.558 4.600 50 0 IJAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3)c1csc2c1CCCC2 ZINC000017097686 556661985 /nfs/dbraw/zinc/66/19/85/556661985.db2.gz QIGRDDRJMAEVDR-UHFFFAOYSA-N 0 0 431.608 4.714 50 0 IJAARN COc1ccccc1NC(=O)COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1OC ZINC000033013158 556662548 /nfs/dbraw/zinc/66/25/48/556662548.db2.gz RSBAGEMABGCMFQ-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COC(=O)Oc1ccc2c(c1)oc(=O)c(-c1ccc(Br)cc1)c2OC(=O)OC ZINC000011865196 556664367 /nfs/dbraw/zinc/66/43/67/556664367.db2.gz WFDCMUJOKXFILE-UHFFFAOYSA-N 0 0 449.209 4.513 50 0 IJAARN COc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)c5cccs5)ccc43)c(=O)oc21 ZINC000011866180 556666006 /nfs/dbraw/zinc/66/60/06/556666006.db2.gz WNMYLOSDEKBXHB-UHFFFAOYSA-N 0 0 446.436 4.856 50 0 IJAARN COc1ccc(C(=O)COc2ccc3cc(-c4cc(OC)ccc4OC)c(=O)oc3c2)cc1 ZINC000011866317 556666247 /nfs/dbraw/zinc/66/62/47/556666247.db2.gz IDMPQTBZSOBWBZ-UHFFFAOYSA-N 0 0 446.455 4.748 50 0 biogenic IJAARN O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccccc2Cl)CC1 ZINC000011902150 556669514 /nfs/dbraw/zinc/66/95/14/556669514.db2.gz YEQFTTYGDRDPMC-UHFFFAOYSA-N 0 0 440.931 4.818 50 0 IJAARN CCCCCCOc1ccc(N2C(=O)CC(=C3NN(c4ccccc4)C(=O)C3C)C2=O)cc1 ZINC000100801089 556675703 /nfs/dbraw/zinc/67/57/03/556675703.db2.gz YHVDOHRBOMRWTQ-QFIPXVFZSA-N 0 0 447.535 4.893 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1)c1cccc(Br)c1 ZINC000011999053 556679690 /nfs/dbraw/zinc/67/96/90/556679690.db2.gz BIRZLGALOMBZHU-UHFFFAOYSA-N 0 0 436.309 4.689 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000017987165 556680891 /nfs/dbraw/zinc/68/08/91/556680891.db2.gz FCVOJQGHGGDHIQ-MJXNMMHHSA-N 0 0 442.309 4.594 50 0 IJAARN CC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1cccc(Cl)c1 ZINC000011114792 556684915 /nfs/dbraw/zinc/68/49/15/556684915.db2.gz BMROXGGMVVWXQI-UHFFFAOYSA-N 0 0 436.320 4.812 50 0 IJAARN COc1ccc(CCc2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1OC ZINC000045221694 556685602 /nfs/dbraw/zinc/68/56/02/556685602.db2.gz OIPYUZAYKULAIY-UHFFFAOYSA-N 0 0 435.336 4.962 50 0 IJAARN CCN([C@H](c1ccc(Br)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1 ZINC000072313068 556688225 /nfs/dbraw/zinc/68/82/25/556688225.db2.gz HXFCQNLLBBIHMN-HXUWFJFHSA-N 0 0 449.345 4.783 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2)s1 ZINC000033022824 556688436 /nfs/dbraw/zinc/68/84/36/556688436.db2.gz AAFHMXMBYGBVOO-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000018271090 556688697 /nfs/dbraw/zinc/68/86/97/556688697.db2.gz SJFRSHAQNKQVNQ-UHFFFAOYSA-N 0 0 437.952 4.552 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4ccc(C)cc4)c3nc2OC)cc1 ZINC000046006378 556690393 /nfs/dbraw/zinc/69/03/93/556690393.db2.gz KNAQGBUZZPVINM-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000046006569 556690621 /nfs/dbraw/zinc/69/06/21/556690621.db2.gz ZDCOBNPWTHOZJW-UHFFFAOYSA-N 0 0 428.536 4.603 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000046141379 556692702 /nfs/dbraw/zinc/69/27/02/556692702.db2.gz ZWHQEDDTHSRFAQ-UHFFFAOYSA-N 0 0 443.525 4.700 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)[C@@H]1C ZINC000013544533 556696441 /nfs/dbraw/zinc/69/64/41/556696441.db2.gz FBORSIAAQPABHS-OPYAIIAOSA-N 0 0 429.655 4.566 50 0 IJAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000033025934 556702048 /nfs/dbraw/zinc/70/20/48/556702048.db2.gz XHFRDMQOHHXOOK-UHFFFAOYSA-N 0 0 431.517 4.556 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)c1OC ZINC000019221204 556715448 /nfs/dbraw/zinc/71/54/48/556715448.db2.gz VOCGLDSRDWWJJI-HSZRJFAPSA-N 0 0 446.576 4.845 50 0 IJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)C1 ZINC000033035939 556718677 /nfs/dbraw/zinc/71/86/77/556718677.db2.gz ZIUYRFUARLRBSC-HXUWFJFHSA-N 0 0 447.501 4.933 50 0 IJAARN CSc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033035979 556718696 /nfs/dbraw/zinc/71/86/96/556718696.db2.gz NALYQHYZUXXQLM-OAQYLSRUSA-N 0 0 425.598 4.636 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(C)cc3C)o2)cc(OCC)c1OCC ZINC000005169582 556719552 /nfs/dbraw/zinc/71/95/52/556719552.db2.gz NUMCZBTXAUHBSH-UHFFFAOYSA-N 0 0 425.485 4.802 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000033037464 556722949 /nfs/dbraw/zinc/72/29/49/556722949.db2.gz PUYOBCSPQDURTP-KRWDZBQOSA-N 0 0 426.520 4.798 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1cc(F)cc(F)c1 ZINC000072328271 556724951 /nfs/dbraw/zinc/72/49/51/556724951.db2.gz HVVMXOVKNWVPBC-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN O=C(NCc1cccc(Br)c1)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329061 556726672 /nfs/dbraw/zinc/72/66/72/556726672.db2.gz URGDLGIFFGJTCU-UHFFFAOYSA-N 0 0 435.119 4.532 50 0 IJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000061719896 556726803 /nfs/dbraw/zinc/72/68/03/556726803.db2.gz PYOHPQMIRYVLQG-UHFFFAOYSA-N 0 0 432.505 4.820 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)[nH]n2)cc1 ZINC000072331250 556730149 /nfs/dbraw/zinc/73/01/49/556730149.db2.gz LHDQCOXONWLMBL-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN Cc1nc2ccc(C(=O)OCC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2nc1C ZINC000019298427 556734729 /nfs/dbraw/zinc/73/47/29/556734729.db2.gz YBTAMHCAQPQGMG-DEOSSOPVSA-N 0 0 439.515 4.504 50 0 IJAARN CCS[C@@H]1CCCC[C@@H]1Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000079022002 556737699 /nfs/dbraw/zinc/73/76/99/556737699.db2.gz MVCQEDMQWARRNW-GXTWGEPZSA-N 0 0 432.899 4.776 50 0 IJAARN Cc1ccc(C)c(-n2cc(CNCc3n[nH]c(=O)c4ccccc34)c(-c3ccccc3)n2)c1 ZINC000055358168 556740366 /nfs/dbraw/zinc/74/03/66/556740366.db2.gz HPBWXBHHGOZRRC-UHFFFAOYSA-N 0 0 435.531 4.682 50 0 IJAARN CCOc1ccccc1-c1cc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)on1 ZINC000033045248 556741924 /nfs/dbraw/zinc/74/19/24/556741924.db2.gz LWIXERBDPUFRAF-OAHLLOKOSA-N 0 0 449.536 4.600 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000096315516 556744079 /nfs/dbraw/zinc/74/40/79/556744079.db2.gz ILRWXVYBMSWPKN-UHFFFAOYSA-N 0 0 435.480 4.968 50 0 IJAARN COc1cc(CCC(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc(OC)c1 ZINC000058107208 556758780 /nfs/dbraw/zinc/75/87/80/556758780.db2.gz IONVAZXCNVZJAF-UHFFFAOYSA-N 0 0 425.529 4.683 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(c3ccccc3)CC1)oc1ccccc12 ZINC000058137870 556760850 /nfs/dbraw/zinc/76/08/50/556760850.db2.gz XNCRQGWCOVAVIF-SFHVURJKSA-N 0 0 429.520 4.744 50 0 IJAARN Cc1csc([C@@](O)(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C(F)(F)F)n1 ZINC000058140397 556760970 /nfs/dbraw/zinc/76/09/70/556760970.db2.gz FQWJXSJJIWHVEP-NQIIRXRSSA-N 0 0 434.483 4.692 50 0 IJAARN CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000005326079 556764045 /nfs/dbraw/zinc/76/40/45/556764045.db2.gz PHKAKYMZLGLZIR-QGZVFWFLSA-N 0 0 426.561 4.724 50 0 IJAARN O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c2sc(-c3ccccc3)cc21 ZINC000058171265 556768305 /nfs/dbraw/zinc/76/83/05/556768305.db2.gz RESSXRFUOSODBY-IBGZPJMESA-N 0 0 445.544 4.760 50 0 IJAARN Cc1nc(C2CC2)nc2sc(-c3nc(-c4cccc(Br)c4)no3)c(N)c21 ZINC000058173211 556768529 /nfs/dbraw/zinc/76/85/29/556768529.db2.gz AUSAOVJZDOLBOF-UHFFFAOYSA-N 0 0 428.315 4.939 50 0 IJAARN COc1ccc([C@@H](NCC(=O)Nc2cc(C)nn2-c2ccccc2)c2ccccc2)cc1 ZINC000058175419 556769084 /nfs/dbraw/zinc/76/90/84/556769084.db2.gz AUTQELFPUDCSIW-SANMLTNESA-N 0 0 426.520 4.507 50 0 IJAARN CCOc1ccc(/C=C/C(=O)N(Cc2ccoc2C(=O)OC)[C@H](C)c2ccccn2)cc1 ZINC000058174568 556769225 /nfs/dbraw/zinc/76/92/25/556769225.db2.gz SAKQRQISHITVCX-LVMGUKCRSA-N 0 0 434.492 4.663 50 0 IJAARN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000058179555 556770065 /nfs/dbraw/zinc/77/00/65/556770065.db2.gz QUVQYFJOYNEDBU-KRWDZBQOSA-N 0 0 440.927 4.766 50 0 IJAARN COC(=O)c1occc1CN(C(=O)c1ccc(Br)cc1)[C@H](C)c1ccccn1 ZINC000058203517 556771638 /nfs/dbraw/zinc/77/16/38/556771638.db2.gz RSPLDATWJDKTON-CQSZACIVSA-N 0 0 443.297 4.627 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccnn1CCc1ccccc1 ZINC000058208840 556771677 /nfs/dbraw/zinc/77/16/77/556771677.db2.gz ZLVHUHJDVIQBCO-UHFFFAOYSA-N 0 0 433.943 4.763 50 0 IJAARN CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000058218992 556773196 /nfs/dbraw/zinc/77/31/96/556773196.db2.gz MGDBPVLQYHRRMJ-UONOGXRCSA-N 0 0 434.367 4.970 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)no1 ZINC000058226936 556773803 /nfs/dbraw/zinc/77/38/03/556773803.db2.gz VFLGTHSJFRUSKL-IAGOWNOFSA-N 0 0 438.553 4.855 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)c3nc(N4CCCC4)ncc3Cl)s2)c1Cl ZINC000058378186 556783966 /nfs/dbraw/zinc/78/39/66/556783966.db2.gz ONSYABIBRNLPMM-UHFFFAOYSA-N 0 0 448.379 4.992 50 0 IJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000058381435 556784579 /nfs/dbraw/zinc/78/45/79/556784579.db2.gz SKEQQEGKKVSQIF-UHFFFAOYSA-N 0 0 440.487 4.660 50 0 IJAARN CC(C)(C)c1ncc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn1 ZINC000058413234 556786595 /nfs/dbraw/zinc/78/65/95/556786595.db2.gz KMLZUJCYLYUDPI-UHFFFAOYSA-N 0 0 441.885 4.696 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000058431309 556787867 /nfs/dbraw/zinc/78/78/67/556787867.db2.gz SDDAGNJOUCWUKM-HNNXBMFYSA-N 0 0 447.457 4.991 50 0 IJAARN CCCC(=O)Nc1cccc(NC(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)c1C ZINC000058434373 556788114 /nfs/dbraw/zinc/78/81/14/556788114.db2.gz HZMBWDLPTVXDIK-UHFFFAOYSA-N 0 0 441.528 4.710 50 0 IJAARN CC[S@@](=O)c1ccccc1C(=O)O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058669734 556791090 /nfs/dbraw/zinc/79/10/90/556791090.db2.gz ZQZMPFXANHNBMG-GTMAHKLRSA-N 0 0 438.427 4.801 50 0 IJAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000058909494 556792816 /nfs/dbraw/zinc/79/28/16/556792816.db2.gz QGXVKMHHQSNBOG-UHFFFAOYSA-N 0 0 437.521 4.685 50 0 IJAARN COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1 ZINC000058976725 556793415 /nfs/dbraw/zinc/79/34/15/556793415.db2.gz UPCYUKFGGCNTOQ-HNNXBMFYSA-N 0 0 448.548 4.609 50 0 IJAARN CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 ZINC000002651963 556802471 /nfs/dbraw/zinc/80/24/71/556802471.db2.gz GTUFCUXCYJLHIR-UHFFFAOYSA-N 0 0 438.597 4.859 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000003202993 556804280 /nfs/dbraw/zinc/80/42/80/556804280.db2.gz TXBKDXZSEJHDQB-UHFFFAOYSA-N 0 0 435.760 4.930 50 0 IJAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccc(Br)cc1 ZINC000003249710 556804908 /nfs/dbraw/zinc/80/49/08/556804908.db2.gz BNBNZRNQPIRUKO-IBGZPJMESA-N 0 0 445.382 4.718 50 0 IJAARN C[C@H]1CN(C(=O)c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)C[C@H](C)O1 ZINC000060082398 556806335 /nfs/dbraw/zinc/80/63/35/556806335.db2.gz LRXBZONDQQLDIV-STQMWFEESA-N 0 0 427.854 4.615 50 0 IJAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc(Cl)cc1 ZINC000003254499 556807056 /nfs/dbraw/zinc/80/70/56/556807056.db2.gz AUQUAXHGVXCASN-UHFFFAOYSA-N 0 0 439.739 4.851 50 0 IJAARN O=C(NCc1ccccc1)C(=Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000003265798 556807598 /nfs/dbraw/zinc/80/75/98/556807598.db2.gz HHIQBQFKOJMSLA-UHFFFAOYSA-N 0 0 438.449 4.722 50 0 IJAARN CC(C)c1c(C(=O)N(C)Cc2nccn2CC(F)(F)F)cnn1-c1cccc(Cl)c1 ZINC000060376528 556807565 /nfs/dbraw/zinc/80/75/65/556807565.db2.gz UQNAJCZAYMGXAL-UHFFFAOYSA-N 0 0 439.869 4.680 50 0 IJAARN O=C(NC1CC1)c1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccccc2)cc1 ZINC000033058648 556807929 /nfs/dbraw/zinc/80/79/29/556807929.db2.gz IRKVVOCQMUJRRL-UHFFFAOYSA-N 0 0 441.556 4.629 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000003318693 556809979 /nfs/dbraw/zinc/80/99/79/556809979.db2.gz JRPZFDPFLPAHKU-UHFFFAOYSA-N 0 0 427.595 4.650 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 ZINC000003338364 556812742 /nfs/dbraw/zinc/81/27/42/556812742.db2.gz HYBCEZUSLAFYHY-UHFFFAOYSA-N 0 0 438.887 4.951 50 0 IJAARN CCCCOc1ccc(CNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000033060382 556816806 /nfs/dbraw/zinc/81/68/06/556816806.db2.gz LVDLLZVHDCMJKG-UHFFFAOYSA-N 0 0 444.944 4.553 50 0 IJAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 ZINC000033064159 556819001 /nfs/dbraw/zinc/81/90/01/556819001.db2.gz GSRHGGQVKPJUNZ-UHFFFAOYSA-N 0 0 444.940 4.539 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000033067783 556819790 /nfs/dbraw/zinc/81/97/90/556819790.db2.gz ZZZWDSKZEFMHPF-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1C ZINC000033067876 556820012 /nfs/dbraw/zinc/82/00/12/556820012.db2.gz DFGBKPZQFRVVPV-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014698711 556825516 /nfs/dbraw/zinc/82/55/16/556825516.db2.gz JYWWVAFVYQVUEX-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000064662026 556825959 /nfs/dbraw/zinc/82/59/59/556825959.db2.gz GZNFTRJTQIBTCF-QHCPKHFHSA-N 0 0 441.984 4.830 50 0 IJAARN COc1ccccc1Cc1nc2ccccc2nc1S[C@@H](C)C(=O)NCc1ccco1 ZINC000033068683 556829134 /nfs/dbraw/zinc/82/91/34/556829134.db2.gz RUSRTEXYBPAJJC-INIZCTEOSA-N 0 0 433.533 4.619 50 0 IJAARN COc1ccccc1-c1noc(-c2nn(-c3cccc(Cl)c3)c(=O)c3ccccc32)n1 ZINC000064949861 556829344 /nfs/dbraw/zinc/82/93/44/556829344.db2.gz NKRGXOLKYUKEHX-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN O=C(NCc1ccccc1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958900 556829960 /nfs/dbraw/zinc/82/99/60/556829960.db2.gz PHZMHCCJPYXOPY-LJQANCHMSA-N 0 0 445.954 4.583 50 0 IJAARN CCCC[C@H](CC)Cn1c(SCCS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 ZINC000062582258 556838229 /nfs/dbraw/zinc/83/82/29/556838229.db2.gz XDIXHELWIZDESE-HNNXBMFYSA-N 0 0 430.039 4.952 50 0 IJAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000008694107 556842658 /nfs/dbraw/zinc/84/26/58/556842658.db2.gz UQHJJBABYRQGJZ-UHFFFAOYSA-N 0 0 440.952 4.906 50 0 aggregator IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000008752182 556845408 /nfs/dbraw/zinc/84/54/08/556845408.db2.gz HVRJQJQTRKBWFD-UHFFFAOYSA-N 0 0 435.760 4.930 50 0 IJAARN COc1ccc(-c2coc3cc(OCC(=O)N[C@@H](C)CCc4ccco4)ccc3c2=O)cc1 ZINC000008765214 556845908 /nfs/dbraw/zinc/84/59/08/556845908.db2.gz TVMXZYPPVZXGGJ-KRWDZBQOSA-N 0 0 447.487 4.578 50 0 biogenic IJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071314 556852075 /nfs/dbraw/zinc/85/20/75/556852075.db2.gz MIVCVSMKHOFAMI-INIZCTEOSA-N 0 0 431.378 4.549 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000033072584 556852260 /nfs/dbraw/zinc/85/22/60/556852260.db2.gz PGNJPERWIJDJRV-UHFFFAOYSA-N 0 0 442.563 4.906 50 0 IJAARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073207 556852569 /nfs/dbraw/zinc/85/25/69/556852569.db2.gz ZLSNJEKSPIBCAN-UHFFFAOYSA-N 0 0 428.580 4.620 50 0 IJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000033078164 556852937 /nfs/dbraw/zinc/85/29/37/556852937.db2.gz IALBPWAFIKVZFA-UHFFFAOYSA-N 0 0 439.519 4.771 50 0 IJAARN COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)Nc4cccc(C)c4)CC3)c2)c1 ZINC000033073925 556853006 /nfs/dbraw/zinc/85/30/06/556853006.db2.gz ZRDLCZPVDDDAHK-UHFFFAOYSA-N 0 0 444.535 4.506 50 0 IJAARN C[C@H](NC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c32)CC1)c1ccccc1 ZINC000033085022 556855122 /nfs/dbraw/zinc/85/51/22/556855122.db2.gz JBHRAJSTUPIWRE-INIZCTEOSA-N 0 0 445.498 4.518 50 0 IJAARN CCc1ccccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088378 556856302 /nfs/dbraw/zinc/85/63/02/556856302.db2.gz OJMVZSCQKBGWAE-UHFFFAOYSA-N 0 0 429.377 4.764 50 0 IJAARN CC(C)n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087551 556857883 /nfs/dbraw/zinc/85/78/83/556857883.db2.gz JEQIHJZUCPQTQK-UHFFFAOYSA-N 0 0 442.516 4.557 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000033113234 556859874 /nfs/dbraw/zinc/85/98/74/556859874.db2.gz FNBSPKDDXZTMOH-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113483 556860337 /nfs/dbraw/zinc/86/03/37/556860337.db2.gz ZOAMJJGJYMAYPR-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2cccc(OC)c2)cc1 ZINC000033122158 556863265 /nfs/dbraw/zinc/86/32/65/556863265.db2.gz GCDBLBDLRVOBPT-UHFFFAOYSA-N 0 0 434.525 4.799 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(C)c(Cl)c3)ccc2=O)cc1C ZINC000033128091 556864984 /nfs/dbraw/zinc/86/49/84/556864984.db2.gz VAUZDQYENVJFMU-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000033128657 556865716 /nfs/dbraw/zinc/86/57/16/556865716.db2.gz ZHIDEWZJTRXQMN-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C(F)(F)F)cc4)c2=O)CCCC3=O)cc1 ZINC000033126988 556867677 /nfs/dbraw/zinc/86/76/77/556867677.db2.gz GWHPMFOXCDPTKI-UHFFFAOYSA-N 0 0 440.421 4.936 50 0 IJAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129961 556869508 /nfs/dbraw/zinc/86/95/08/556869508.db2.gz FJZBYQAGQGGIHD-UHFFFAOYSA-N 0 0 442.487 4.669 50 0 IJAARN CCC(C)(C)NC(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130077 556869887 /nfs/dbraw/zinc/86/98/87/556869887.db2.gz XAQQIIDPLHAFJT-UHFFFAOYSA-N 0 0 436.577 4.751 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4cccc(OC)c4)nn3)cc2)c1 ZINC000033130919 556871364 /nfs/dbraw/zinc/87/13/64/556871364.db2.gz FUKABPFIZIUYKJ-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc2c(C)c(C(=O)N[C@H]3CCCN(c4ccc(C(F)(F)F)cn4)C3)oc2c1 ZINC000019720358 556876069 /nfs/dbraw/zinc/87/60/69/556876069.db2.gz IYDQLDLBCHLEFL-HNNXBMFYSA-N 0 0 433.430 4.562 50 0 IJAARN Cc1cccc([C@@H]2CCCN2c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 ZINC000071970479 556876393 /nfs/dbraw/zinc/87/63/93/556876393.db2.gz SSYDKSYSPSLQPE-INIZCTEOSA-N 0 0 434.849 4.950 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1CC(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000033140744 556876771 /nfs/dbraw/zinc/87/67/71/556876771.db2.gz RJCRFEVWFRLWAL-UHFFFAOYSA-N 0 0 430.596 4.614 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Sc3cccc(C)c3)CC2)cc1 ZINC000033168640 556880533 /nfs/dbraw/zinc/88/05/33/556880533.db2.gz JPLUNMZSNCXURU-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000033168695 556880863 /nfs/dbraw/zinc/88/08/63/556880863.db2.gz NKBHFRFVHXGPEY-QFIPXVFZSA-N 0 0 446.620 4.902 50 0 IJAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)c1=O ZINC000033171738 556882629 /nfs/dbraw/zinc/88/26/29/556882629.db2.gz VEYKLYXKGZPAPS-UHFFFAOYSA-N 0 0 443.503 4.743 50 0 IJAARN Cc1cc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)ccc1Br ZINC000033172402 556882724 /nfs/dbraw/zinc/88/27/24/556882724.db2.gz ZYDKIKGMEWSLKA-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccccc3Cl)c2cc1OC ZINC000033172728 556883045 /nfs/dbraw/zinc/88/30/45/556883045.db2.gz SNPVSACRYDLQIB-UHFFFAOYSA-N 0 0 428.901 4.513 50 0 IJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Br)cc3)c2c1 ZINC000033172575 556883080 /nfs/dbraw/zinc/88/30/80/556883080.db2.gz PLOLBYSMVOYXHQ-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000033173538 556883526 /nfs/dbraw/zinc/88/35/26/556883526.db2.gz QHISOEPDKCJFNZ-UHFFFAOYSA-N 0 0 426.416 4.732 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170747 556886364 /nfs/dbraw/zinc/88/63/64/556886364.db2.gz GYFKHSPPFDCOEL-UHFFFAOYSA-N 0 0 436.943 4.885 50 0 IJAARN O=C(NCCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)OCc1ccccc1 ZINC000071769513 556887784 /nfs/dbraw/zinc/88/77/84/556887784.db2.gz DOXTWHWKPFHVMB-UHFFFAOYSA-N 0 0 429.561 4.507 50 0 IJAARN Cc1ccc(C(=O)N2CCC(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000033254693 556891001 /nfs/dbraw/zinc/89/10/01/556891001.db2.gz XZSKRZRERLLXMA-UHFFFAOYSA-N 0 0 437.971 4.731 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c1 ZINC000033252141 556892450 /nfs/dbraw/zinc/89/24/50/556892450.db2.gz FRQJQHTYJWOVMU-UHFFFAOYSA-N 0 0 444.535 4.660 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)C1 ZINC000033252281 556892740 /nfs/dbraw/zinc/89/27/40/556892740.db2.gz FTRPLLOFQLVKHP-OAGGEKHMSA-N 0 0 429.630 4.573 50 0 IJAARN COC(=O)c1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000033255302 556894720 /nfs/dbraw/zinc/89/47/20/556894720.db2.gz UPILSSWUTVZGCA-UHFFFAOYSA-N 0 0 440.887 4.588 50 0 IJAARN CCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000033256030 556895300 /nfs/dbraw/zinc/89/53/00/556895300.db2.gz XRQUDYXWKDXYJE-UHFFFAOYSA-N 0 0 433.487 4.509 50 0 IJAARN O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1NCc1ccco1)c1ccc(Cl)cc1 ZINC000019811058 556919150 /nfs/dbraw/zinc/91/91/50/556919150.db2.gz YNYGNSFWRFHYGN-GOTSBHOMSA-N 0 0 438.936 4.950 50 0 IJAARN COc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)CN(Cc1ccccc1)CC3 ZINC000019819711 556923127 /nfs/dbraw/zinc/92/31/27/556923127.db2.gz JGFZRQMJZBIJRP-UHFFFAOYSA-N 0 0 435.574 4.677 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccc(OC)cc2)cc1 ZINC000019824822 556925666 /nfs/dbraw/zinc/92/56/66/556925666.db2.gz SCYCWXASWVWBQR-UHFFFAOYSA-N 0 0 437.546 4.988 50 0 IJAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(F)cc4)n[nH]3)s2)cc1 ZINC000019827322 556925883 /nfs/dbraw/zinc/92/58/83/556925883.db2.gz UFZRUYQQZIAGCF-UHFFFAOYSA-N 0 0 433.516 4.895 50 0 IJAARN COc1ccc([C@@H](O)CN2CCc3c(nc(Cc4ccccc4)n3-c3ccccc3)C2)cc1 ZINC000019825159 556925898 /nfs/dbraw/zinc/92/58/98/556925898.db2.gz REKDRJILYCFJTR-MHZLTWQESA-N 0 0 439.559 4.563 50 0 IJAARN S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019840867 556929384 /nfs/dbraw/zinc/92/93/84/556929384.db2.gz FYCGLUBOEFOORB-UHFFFAOYSA-N 0 0 446.576 4.674 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1OC ZINC000019879290 556936503 /nfs/dbraw/zinc/93/65/03/556936503.db2.gz FYZNTHQMTMCFGA-HFZDXXHNSA-N 0 0 428.488 4.765 50 0 IJAARN CCc1cc([C@@H](c2ccccc2OC)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880722 556937078 /nfs/dbraw/zinc/93/70/78/556937078.db2.gz AXIPXQWHTQSKNC-HSZRJFAPSA-N 0 0 436.577 4.993 50 0 IJAARN COc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1OC ZINC000019882418 556937405 /nfs/dbraw/zinc/93/74/05/556937405.db2.gz WJDGBMFIEZIKLQ-UHFFFAOYSA-N 0 0 441.911 4.695 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000020095484 556979507 /nfs/dbraw/zinc/97/95/07/556979507.db2.gz MHRSGOPMUKYFBN-GOSISDBHSA-N 0 0 443.547 4.808 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000033268602 556985287 /nfs/dbraw/zinc/98/52/87/556985287.db2.gz ALQMKLJDXNBGMM-UHFFFAOYSA-N 0 0 443.503 4.541 50 0 IJAARN O=C(c1cc(-c2cccs2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137614 556988803 /nfs/dbraw/zinc/98/88/03/556988803.db2.gz QXJOXLIOUDNDFH-UHFFFAOYSA-N 0 0 429.545 4.951 50 0 aggregator IJAARN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)c(C)cc2Br)cc1 ZINC000097143835 556992191 /nfs/dbraw/zinc/99/21/91/556992191.db2.gz UCMDYQCYJNQKQU-GOSISDBHSA-N 0 0 435.749 4.849 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020166201 556993602 /nfs/dbraw/zinc/99/36/02/556993602.db2.gz GAGZEGAZKAPJPQ-UHFFFAOYSA-N 0 0 437.543 4.868 50 0 IJAARN Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@H](c1ccc(Br)cc1)C1CC1 ZINC000097212526 557005228 /nfs/dbraw/zinc/00/52/28/557005228.db2.gz SJPPXQAGHJNMOW-INIZCTEOSA-N 0 0 432.343 4.923 50 0 IJAARN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)c1 ZINC000020353746 557009640 /nfs/dbraw/zinc/00/96/40/557009640.db2.gz RSMRAJXRLPPUBF-FQEVSTJZSA-N 0 0 443.931 4.561 50 0 IJAARN CCCN1CCc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)C1 ZINC000020358464 557011591 /nfs/dbraw/zinc/01/15/91/557011591.db2.gz URLZVYVCUKRXSG-UHFFFAOYSA-N 0 0 429.549 4.839 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000045971227 557013957 /nfs/dbraw/zinc/01/39/57/557013957.db2.gz ZOORTBBPXBQFLS-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN Cc1nn(C)c2nc(OCC(=O)Nc3ccccc3C(F)(F)F)cc(-c3ccccc3)c12 ZINC000045991588 557017053 /nfs/dbraw/zinc/01/70/53/557017053.db2.gz HGUYGLOINNLATQ-UHFFFAOYSA-N 0 0 440.425 4.980 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1sccc1-c1nc2ccccc2s1 ZINC000010695195 557018868 /nfs/dbraw/zinc/01/88/68/557018868.db2.gz MVXZVUWJSMRXDC-UHFFFAOYSA-N 0 0 428.560 4.827 50 0 IJAARN CCc1cc(OCC(=O)Nc2ccc(OC)cc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016993 557020143 /nfs/dbraw/zinc/02/01/43/557020143.db2.gz INXFMCUNNVUBFH-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020337 557021079 /nfs/dbraw/zinc/02/10/79/557021079.db2.gz QBIHJRMRBDWMLL-UHFFFAOYSA-N 0 0 449.960 4.733 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1OC ZINC000046022471 557022272 /nfs/dbraw/zinc/02/22/72/557022272.db2.gz PNOKYAMQGXCPRF-UHFFFAOYSA-N 0 0 443.594 4.999 50 0 IJAARN COc1ccc([C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c2nccn2C)cc1 ZINC000010750139 557024342 /nfs/dbraw/zinc/02/43/42/557024342.db2.gz TUJWDBWKNUCRSA-QHCPKHFHSA-N 0 0 439.581 4.544 50 0 IJAARN COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153740 557028371 /nfs/dbraw/zinc/02/83/71/557028371.db2.gz UCSASLFJPRTDGD-UHFFFAOYSA-N 0 0 434.561 4.962 50 0 IJAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(C)ccc3F)c2)c1C(F)(F)F ZINC000072088317 557028715 /nfs/dbraw/zinc/02/87/15/557028715.db2.gz VOLVRSHEBCCTPE-UHFFFAOYSA-N 0 0 435.377 4.768 50 0 IJAARN CN(c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1)S(C)(=O)=O ZINC000046058059 557029226 /nfs/dbraw/zinc/02/92/26/557029226.db2.gz JTGYPXXVRHKCOL-UHFFFAOYSA-N 0 0 428.457 4.568 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1nc(-c2ccco2)sc1C ZINC000029881347 557031580 /nfs/dbraw/zinc/03/15/80/557031580.db2.gz BOQDNSLSHHLRAS-UHFFFAOYSA-N 0 0 437.443 4.620 50 0 IJAARN O=C1Nc2cc(Cl)ccc2Oc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc21 ZINC000046077406 557033091 /nfs/dbraw/zinc/03/30/91/557033091.db2.gz ZUUAZXPPCNNBDW-UHFFFAOYSA-N 0 0 440.908 4.840 50 0 IJAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc3c(c2)OCCO3)CCC(C)CC1 ZINC000046078238 557033531 /nfs/dbraw/zinc/03/35/31/557033531.db2.gz QLJNHJAQILBJQU-UHFFFAOYSA-N 0 0 433.556 4.822 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079827 557035087 /nfs/dbraw/zinc/03/50/87/557035087.db2.gz COWJPRVCHZPOJD-UHFFFAOYSA-N 0 0 443.503 4.542 50 0 IJAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000017178273 557037794 /nfs/dbraw/zinc/03/77/94/557037794.db2.gz YYSSEGGMHGXNHB-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN CC(=O)N(c1nc(CSc2nc3sccc3c(=O)[nH]2)cs1)c1cccc(C)c1 ZINC000010869046 557044583 /nfs/dbraw/zinc/04/45/83/557044583.db2.gz AOCVCVNCFVPEGI-UHFFFAOYSA-N 0 0 428.564 4.726 50 0 IJAARN C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181462 557045232 /nfs/dbraw/zinc/04/52/32/557045232.db2.gz KTDAXBSSWSYASF-JPYJTQIMSA-N 0 0 429.605 4.836 50 0 IJAARN C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181364 557045394 /nfs/dbraw/zinc/04/53/94/557045394.db2.gz JEKIDGXLWNNTSW-MBSDFSHPSA-N 0 0 429.605 4.836 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181733 557045829 /nfs/dbraw/zinc/04/58/29/557045829.db2.gz GBYSIDGCWDOYHF-YADARESESA-N 0 0 441.641 4.705 50 0 IJAARN COc1ccccc1CN(C)C(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000048235213 557046830 /nfs/dbraw/zinc/04/68/30/557046830.db2.gz KWZSJJDEJNMYDO-UHFFFAOYSA-N 0 0 443.499 4.814 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000022920005 557046949 /nfs/dbraw/zinc/04/69/49/557046949.db2.gz DKFBWHDXRXVVFF-XMMPIXPASA-N 0 0 435.593 4.644 50 0 IJAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1 ZINC000048274080 557051565 /nfs/dbraw/zinc/05/15/65/557051565.db2.gz YSLVUWJZZLGEGL-GOSISDBHSA-N 0 0 436.556 4.739 50 0 IJAARN O=C1Nc2c(cccc2C(F)(F)F)[C@@]12Nc1ccccc1C(=O)N2c1ccc(Cl)cn1 ZINC000048286851 557053009 /nfs/dbraw/zinc/05/30/09/557053009.db2.gz BUVLRRDLUVFANU-FQEVSTJZSA-N 0 0 444.800 4.631 50 0 IJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(Cl)cc4F)c(C)n3)c2)no1 ZINC000033275294 557053994 /nfs/dbraw/zinc/05/39/94/557053994.db2.gz QOKRIXOHXJLIRJ-UHFFFAOYSA-N 0 0 425.851 4.892 50 0 IJAARN CC(=O)c1ccc(OCCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000048290856 557055357 /nfs/dbraw/zinc/05/53/57/557055357.db2.gz OKNYQTGYHFYEGA-UHFFFAOYSA-N 0 0 428.532 4.537 50 0 IJAARN Cc1nc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)n(C2CCCC2)c1C ZINC000023043576 557059416 /nfs/dbraw/zinc/05/94/16/557059416.db2.gz AOHXTBJHFFYUOW-HSZRJFAPSA-N 0 0 443.613 4.992 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1 ZINC000017340931 557061051 /nfs/dbraw/zinc/06/10/51/557061051.db2.gz CWTANFHABREGLE-UHFFFAOYSA-N 0 0 443.912 4.836 50 0 IJAARN CCc1ccccc1NC(=O)Cn1cnc2c3ccc(-c4cccs4)nc3sc2c1=O ZINC000033284014 557063457 /nfs/dbraw/zinc/06/34/57/557063457.db2.gz UGLFYCPUKMQUNY-UHFFFAOYSA-N 0 0 446.557 4.936 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC=CC[C@@H]1c1nc3ccccc3s1)CC2 ZINC000048302529 557063652 /nfs/dbraw/zinc/06/36/52/557063652.db2.gz RQNSQXKYTQEQQF-RBUKOAKNSA-N 0 0 434.561 4.948 50 0 IJAARN COc1ccc(-c2csc(CCNC(=O)c3cc(F)ccc3Br)n2)cc1 ZINC000048302619 557063949 /nfs/dbraw/zinc/06/39/49/557063949.db2.gz LFPDFMNITULWMA-UHFFFAOYSA-N 0 0 435.318 4.693 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c(Cl)c1 ZINC000033288156 557065315 /nfs/dbraw/zinc/06/53/15/557065315.db2.gz ORFZAINPTUIELV-UHFFFAOYSA-N 0 0 447.922 4.846 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1F ZINC000033288612 557065780 /nfs/dbraw/zinc/06/57/80/557065780.db2.gz HTYZEAUKDVEOGN-INIZCTEOSA-N 0 0 438.528 4.631 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048325010 557065864 /nfs/dbraw/zinc/06/58/64/557065864.db2.gz YACTXTHPVAEBSH-NHCUHLMSSA-N 0 0 428.561 4.907 50 0 IJAARN O=C(CCC(=O)c1cccs1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000023150433 557068879 /nfs/dbraw/zinc/06/88/79/557068879.db2.gz XVXVEIXATHRZGI-UHFFFAOYSA-N 0 0 448.953 4.804 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1OC ZINC000033296728 557072563 /nfs/dbraw/zinc/07/25/63/557072563.db2.gz LUDPMNOOLJARJJ-UHFFFAOYSA-N 0 0 448.523 4.775 50 0 IJAARN COc1ccc(-c2nc(Cn3nnc(-c4nc(-c5cccc(C)c5)no4)c3C)c(C)o2)cc1 ZINC000033296923 557072918 /nfs/dbraw/zinc/07/29/18/557072918.db2.gz QJDOQGJKKXBLHB-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)c2)sc1C ZINC000033297667 557073130 /nfs/dbraw/zinc/07/31/30/557073130.db2.gz AGQCVDKPFQBBLX-UHFFFAOYSA-N 0 0 432.514 4.986 50 0 IJAARN O=C(CCCc1ccc(Cl)cc1)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000048355083 557073711 /nfs/dbraw/zinc/07/37/11/557073711.db2.gz VYDJWVMUEJXJBL-UHFFFAOYSA-N 0 0 426.900 4.520 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000033297957 557073808 /nfs/dbraw/zinc/07/38/08/557073808.db2.gz SFZQDNCDEDQBLE-ZROIWOOFSA-N 0 0 425.510 4.611 50 0 IJAARN Cc1c(Cl)c(CSc2nc3ccccc3c(=O)n2CCCO)nc2ccccc12 ZINC000023263824 557080806 /nfs/dbraw/zinc/08/08/06/557080806.db2.gz NRLWOLSPSHDQMJ-UHFFFAOYSA-N 0 0 425.941 4.581 50 0 IJAARN CN(c1ccsc1C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000048986860 557082585 /nfs/dbraw/zinc/08/25/85/557082585.db2.gz OQCIEXHBIOMNEA-UHFFFAOYSA-N 0 0 440.468 4.844 50 0 IJAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)NCc1ccc(Cl)cc1 ZINC000049006728 557085463 /nfs/dbraw/zinc/08/54/63/557085463.db2.gz FZSGNTAEAPUSQT-UHFFFAOYSA-N 0 0 433.364 4.804 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NC2CCCCCC2)s1 ZINC000033306498 557085459 /nfs/dbraw/zinc/08/54/59/557085459.db2.gz IBVODYUROUYZLM-ZRDIBKRKSA-N 0 0 437.587 4.565 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(Br)c(C)c2)cc(-c2ccccn2)n1 ZINC000049007163 557085673 /nfs/dbraw/zinc/08/56/73/557085673.db2.gz IMASFLNTTAPOGF-UHFFFAOYSA-N 0 0 429.343 4.649 50 0 IJAARN O=C(NC1(c2nc(C3CCCC3)no2)CCOCC1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000585141853 557085750 /nfs/dbraw/zinc/08/57/50/557085750.db2.gz GVCYHLQZBPSMFT-MRXNPFEDSA-N 0 0 441.425 4.579 50 0 IJAARN O=C(CCc1ccc(Cl)cc1Cl)NC1(c2nc(C3CCCC3)no2)CCOCC1 ZINC000585141873 557085793 /nfs/dbraw/zinc/08/57/93/557085793.db2.gz HFRBYTXTHCFBHT-UHFFFAOYSA-N 0 0 438.355 4.789 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 ZINC000049007842 557086055 /nfs/dbraw/zinc/08/60/55/557086055.db2.gz CVFXRUPIBYALOI-UHFFFAOYSA-N 0 0 446.454 4.502 50 0 IJAARN COc1ccc(-c2nnc(COc3cccc(NC(=O)c4cccc(N(C)C)c4)c3)o2)cc1 ZINC000033307367 557086815 /nfs/dbraw/zinc/08/68/15/557086815.db2.gz BOTJQFPJYBMEPY-UHFFFAOYSA-N 0 0 444.491 4.643 50 0 IJAARN CSc1ccccc1NC(=O)CSc1nnc(CCc2nc3ccccc3s2)o1 ZINC000049029039 557088630 /nfs/dbraw/zinc/08/86/30/557088630.db2.gz FGYXRQAOKOCERL-UHFFFAOYSA-N 0 0 442.591 4.917 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(Cl)c1 ZINC000023382454 557089808 /nfs/dbraw/zinc/08/98/08/557089808.db2.gz APFOGGIDZQTSTG-NRFANRHFSA-N 0 0 445.910 4.510 50 0 IJAARN O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000023411351 557091264 /nfs/dbraw/zinc/09/12/64/557091264.db2.gz XPDUDTQAAIBIQP-DEOSSOPVSA-N 0 0 447.498 4.701 50 0 IJAARN COc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000011330078 557091283 /nfs/dbraw/zinc/09/12/83/557091283.db2.gz BIPBREOLIHNZDG-UHFFFAOYSA-N 0 0 444.988 4.861 50 0 IJAARN CCc1ccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2ccncc2)cc1 ZINC000049003510 557091350 /nfs/dbraw/zinc/09/13/50/557091350.db2.gz RGWFAGNNZNKMLN-UHFFFAOYSA-N 0 0 435.890 4.614 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000033310867 557094293 /nfs/dbraw/zinc/09/42/93/557094293.db2.gz IOBAJTHJIUIROL-KRWDZBQOSA-N 0 0 434.458 4.527 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000023483415 557094281 /nfs/dbraw/zinc/09/42/81/557094281.db2.gz BKMQALFEQXZTLJ-ZDUSSCGKSA-N 0 0 434.949 4.605 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)c1)N1CCCCC1 ZINC000033311163 557095031 /nfs/dbraw/zinc/09/50/31/557095031.db2.gz LQYDMMFYLQUCHN-GOSISDBHSA-N 0 0 442.506 4.522 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)c1)N1CCCC1 ZINC000033311508 557095569 /nfs/dbraw/zinc/09/55/69/557095569.db2.gz TXGKNTDIHRCZFJ-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nccnc2N2CCCC2)cc1 ZINC000033313057 557097920 /nfs/dbraw/zinc/09/79/20/557097920.db2.gz HLXOGHSYMRNDIV-UHFFFAOYSA-N 0 0 426.442 4.693 50 0 IJAARN Cc1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c(Cl)c1 ZINC000049403376 557098926 /nfs/dbraw/zinc/09/89/26/557098926.db2.gz VDTCSTHVDSCENW-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2ccccc2)c1=O ZINC000033318005 557099745 /nfs/dbraw/zinc/09/97/45/557099745.db2.gz SOYCWCTVWYWHCR-QGZVFWFLSA-N 0 0 440.503 4.530 50 0 IJAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000033318595 557100250 /nfs/dbraw/zinc/10/02/50/557100250.db2.gz SVXNPYIRHVUPKC-UHFFFAOYSA-N 0 0 432.528 4.572 50 0 IJAARN CCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405147 557100427 /nfs/dbraw/zinc/10/04/27/557100427.db2.gz HIOKPOVCELQQBH-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN C[C@@H](NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)c1ccc(F)cc1 ZINC000049405650 557100921 /nfs/dbraw/zinc/10/09/21/557100921.db2.gz GXYGHJFDAAYVEL-OAHLLOKOSA-N 0 0 434.496 4.907 50 0 IJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000023695956 557107251 /nfs/dbraw/zinc/10/72/51/557107251.db2.gz SYTUHDAYPHZUOT-QHCPKHFHSA-N 0 0 428.561 4.969 50 0 IJAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cc(Cl)ccc4C)c(C)n3n2)cc1 ZINC000086069728 557108103 /nfs/dbraw/zinc/10/81/03/557108103.db2.gz JNTGFGZCCSIHOG-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN O=S(=O)(N[C@H](c1cccs1)C1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000585149431 557109760 /nfs/dbraw/zinc/10/97/60/557109760.db2.gz RSJYWTLGAVQMOS-INIZCTEOSA-N 0 0 439.908 4.867 50 0 IJAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(COc4cccc(C)c4)n3)c2)c1 ZINC000033327458 557109913 /nfs/dbraw/zinc/10/99/13/557109913.db2.gz PUSZGEHCTQIXEP-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2cccc(F)c2)cc1CO ZINC000409415451 557110346 /nfs/dbraw/zinc/11/03/46/557110346.db2.gz JKBFPLPWBBSCFA-FQEVSTJZSA-N 0 0 430.479 4.804 50 0 biogenic IJAARN COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)ccc1OC(C)C ZINC000049545155 557111103 /nfs/dbraw/zinc/11/11/03/557111103.db2.gz WHUNHGQBIFFFMG-QGZVFWFLSA-N 0 0 442.512 4.582 50 0 IJAARN COc1ccc(N2c3c(sc(=O)n3C)[C@@H](c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000049545290 557111184 /nfs/dbraw/zinc/11/11/84/557111184.db2.gz MIIYIYYAVRJGOA-OAHLLOKOSA-N 0 0 435.332 4.963 50 0 IJAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000049546406 557111745 /nfs/dbraw/zinc/11/17/45/557111745.db2.gz PYIZVCNWBVFDNY-DEOSSOPVSA-N 0 0 432.564 4.806 50 0 IJAARN COc1ccc(-c2nc3ccccc3c3nnc(SCc4cn5ccccc5n4)n32)cc1 ZINC000033328756 557112384 /nfs/dbraw/zinc/11/23/84/557112384.db2.gz RAGKXRJAXHVQQU-UHFFFAOYSA-N 0 0 438.516 4.893 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1 ZINC000033328902 557112751 /nfs/dbraw/zinc/11/27/51/557112751.db2.gz SPXSCQQFYZFFCI-UHFFFAOYSA-N 0 0 429.505 4.601 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1F ZINC000033328862 557112770 /nfs/dbraw/zinc/11/27/70/557112770.db2.gz ITEOSKAIYZZQPX-UHFFFAOYSA-N 0 0 433.468 4.716 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1 ZINC000000624269 557114313 /nfs/dbraw/zinc/11/43/13/557114313.db2.gz XYGYIQNCMMCQLD-UHFFFAOYSA-N 0 0 446.082 4.705 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)Nc1cc(F)ccc1F ZINC000033330637 557114642 /nfs/dbraw/zinc/11/46/42/557114642.db2.gz WBWYBBVYHYCNQY-UHFFFAOYSA-N 0 0 437.431 4.547 50 0 IJAARN O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1)C1CC1 ZINC000113560150 557115830 /nfs/dbraw/zinc/11/58/30/557115830.db2.gz UKKFTDCACICUHA-MRXNPFEDSA-N 0 0 435.332 4.766 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 ZINC000113563996 557117581 /nfs/dbraw/zinc/11/75/81/557117581.db2.gz WJGXPCBXJOSZGV-OAQYLSRUSA-N 0 0 430.533 4.548 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033332807 557117842 /nfs/dbraw/zinc/11/78/42/557117842.db2.gz ZDKAJJFWMYTLPH-KAMYIIQDSA-N 0 0 442.581 4.884 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N1CCCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000033333794 557118251 /nfs/dbraw/zinc/11/82/51/557118251.db2.gz ISGGSUWJVRGGBG-PJABCKPXSA-N 0 0 429.347 4.781 50 0 IJAARN Cc1ccc2nc(CSc3nnc(COc4ccccc4)n3CCC(C)C)cc(=O)n2c1 ZINC000023820033 557119261 /nfs/dbraw/zinc/11/92/61/557119261.db2.gz VHECRCWJSVZSMZ-UHFFFAOYSA-N 0 0 449.580 4.512 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2)o1 ZINC000014914119 557121021 /nfs/dbraw/zinc/12/10/21/557121021.db2.gz FPAVDZOXRHMORZ-UHFFFAOYSA-N 0 0 445.566 4.529 50 0 IJAARN O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000023865285 557121210 /nfs/dbraw/zinc/12/12/10/557121210.db2.gz PGYIHYOXNAJBJK-UHFFFAOYSA-N 0 0 446.414 4.659 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C)c(Oc1ccc(Br)cc1)c2=O ZINC000000627479 557122321 /nfs/dbraw/zinc/12/23/21/557122321.db2.gz AXQVADAIESYZKO-CYBMUJFWSA-N 0 0 447.281 4.987 50 0 IJAARN COC(=O)CCCCCNC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000017819436 557124107 /nfs/dbraw/zinc/12/41/07/557124107.db2.gz KTDSNCYJVHABAS-UHFFFAOYSA-N 0 0 433.961 4.571 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908544 557125041 /nfs/dbraw/zinc/12/50/41/557125041.db2.gz KMKMNLDRYMLLCL-MHZLTWQESA-N 0 0 443.591 4.605 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004800113 557127421 /nfs/dbraw/zinc/12/74/21/557127421.db2.gz YMTDJDGYTKZXLZ-AZGAKELHSA-N 0 0 444.531 4.999 50 0 IJAARN COCc1c(C(=O)OCC(=O)c2cc(C)n([C@H](C)COC)c2C)sc2cccc(F)c21 ZINC000017938182 557128977 /nfs/dbraw/zinc/12/89/77/557128977.db2.gz FRRGAUMSNJJOSG-CQSZACIVSA-N 0 0 447.528 4.852 50 0 IJAARN COc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)o2)cc1 ZINC000023989405 557129937 /nfs/dbraw/zinc/12/99/37/557129937.db2.gz OYJIJVVEFHJXAM-UHFFFAOYSA-N 0 0 445.504 4.937 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000017957671 557130496 /nfs/dbraw/zinc/13/04/96/557130496.db2.gz SVZFGZRSCORIJA-UHFFFAOYSA-N 0 0 440.341 4.793 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000023995319 557130895 /nfs/dbraw/zinc/13/08/95/557130895.db2.gz YYXXTHNBHPEOCL-UHFFFAOYSA-N 0 0 434.414 4.509 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1 ZINC000000661561 557131202 /nfs/dbraw/zinc/13/12/02/557131202.db2.gz PODKHZYQBUIYBX-UHFFFAOYSA-N 0 0 435.505 4.824 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Oc2cccc(NC3=NS(=O)(=O)c4ccccc43)c2)cc1 ZINC000000666674 557132257 /nfs/dbraw/zinc/13/22/57/557132257.db2.gz FVEUUCBHVUCORP-UHFFFAOYSA-N 0 0 434.517 4.764 50 0 IJAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3s2)cc1)C(F)(F)F ZINC000000678012 557133789 /nfs/dbraw/zinc/13/37/89/557133789.db2.gz MOHGLSNABFKTKD-UHFFFAOYSA-N 0 0 433.333 4.965 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN2CCOCC2)cc1Cl ZINC000024102720 557137391 /nfs/dbraw/zinc/13/73/91/557137391.db2.gz CXYMYMIUTTUPCQ-UHFFFAOYSA-N 0 0 447.970 4.793 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OCC ZINC000024103339 557137429 /nfs/dbraw/zinc/13/74/29/557137429.db2.gz IFYDQSNKKFFTPA-UHFFFAOYSA-N 0 0 446.550 4.599 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2c1[C@@H](C)CC2=O ZINC000024778844 557138674 /nfs/dbraw/zinc/13/86/74/557138674.db2.gz KDKMSJDLVCDGAU-KRWDZBQOSA-N 0 0 444.535 4.687 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)OCC)c1C ZINC000000706301 557140227 /nfs/dbraw/zinc/14/02/27/557140227.db2.gz OALUGZFGCVJUIW-UHFFFAOYSA-N 0 0 430.309 4.969 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2c(F)cccc2F)c(C(=O)OC(C)C)c1C ZINC000000709292 557140671 /nfs/dbraw/zinc/14/06/71/557140671.db2.gz CLOKCJBOEUXQPR-UHFFFAOYSA-N 0 0 438.496 4.634 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)Cc2csc(-c3ccsc3)n2)cc1OCC ZINC000024212864 557141178 /nfs/dbraw/zinc/14/11/78/557141178.db2.gz MAQNHYIUQXVJKO-UHFFFAOYSA-N 0 0 431.583 4.740 50 0 IJAARN CC(C)c1ccc([C@@H](NC(=O)Cc2csc(N3CCCC3=O)n2)c2cccs2)cc1 ZINC000024221150 557141445 /nfs/dbraw/zinc/14/14/45/557141445.db2.gz XRUUPOCBSZPSDR-JOCHJYFZSA-N 0 0 439.606 4.903 50 0 IJAARN O=C1COc2ccc(S(=O)(=O)Nc3ccccc3Sc3ccc(Cl)cc3)cc2N1 ZINC000024262834 557142439 /nfs/dbraw/zinc/14/24/39/557142439.db2.gz QXYPPGFWSSMPKX-UHFFFAOYSA-N 0 0 446.937 4.623 50 0 IJAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000024359425 557145362 /nfs/dbraw/zinc/14/53/62/557145362.db2.gz SBIBEPHQGHJZMO-UHFFFAOYSA-N 0 0 445.544 4.865 50 0 IJAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000711844 557145957 /nfs/dbraw/zinc/14/59/57/557145957.db2.gz KWSUIADHOXJHHE-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1C ZINC000011444410 557148429 /nfs/dbraw/zinc/14/84/29/557148429.db2.gz WDPCJQYIRXNTRC-UHFFFAOYSA-N 0 0 432.835 4.630 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3cccnc3-n3cccn3)o2)cc1 ZINC000024590432 557152185 /nfs/dbraw/zinc/15/21/85/557152185.db2.gz JJOBGXXBVISWBV-UHFFFAOYSA-N 0 0 435.487 4.828 50 0 IJAARN COc1ccccc1Oc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011515829 557156816 /nfs/dbraw/zinc/15/68/16/557156816.db2.gz BAUBQIMSLTZGOW-UHFFFAOYSA-N 0 0 429.476 4.685 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N(C)C[C@H]3COc4ccccc4O3)c2oc1-c1ccccc1 ZINC000024652205 557157254 /nfs/dbraw/zinc/15/72/54/557157254.db2.gz DVOHDQVLRBMJOI-IBGZPJMESA-N 0 0 441.483 4.680 50 0 IJAARN Cc1ccccc1C(=O)NCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000011521654 557159197 /nfs/dbraw/zinc/15/91/97/557159197.db2.gz HIHGCXNIONZULG-UHFFFAOYSA-N 0 0 434.348 4.718 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 ZINC000024745949 557161382 /nfs/dbraw/zinc/16/13/82/557161382.db2.gz FBGVMLRWDDDLOJ-OAHLLOKOSA-N 0 0 428.579 4.828 50 0 IJAARN CCCCc1ccc(-c2csc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000024754022 557162956 /nfs/dbraw/zinc/16/29/56/557162956.db2.gz RBZAZEIKAXNZQO-UHFFFAOYSA-N 0 0 448.548 4.545 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1nc(C(C)(C)C)no1 ZINC000024755877 557163262 /nfs/dbraw/zinc/16/32/62/557163262.db2.gz QLFHIFWGSHIFHQ-JSGCOSHPSA-N 0 0 448.976 4.763 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206839858 557166295 /nfs/dbraw/zinc/16/62/95/557166295.db2.gz PNJNJKCMRVWGGA-IBGZPJMESA-N 0 0 429.476 4.527 50 0 IJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1 ZINC000000749097 557167644 /nfs/dbraw/zinc/16/76/44/557167644.db2.gz UTSYRHHQPJCMSF-UHFFFAOYSA-N 0 0 443.345 4.586 50 0 IJAARN O=C(c1ccccc1Br)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207013875 557170621 /nfs/dbraw/zinc/17/06/21/557170621.db2.gz GZGPXOAQKQNXFF-ZDUSSCGKSA-N 0 0 432.343 4.656 50 0 IJAARN CC(C)c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1C1CC1 ZINC000024836321 557172336 /nfs/dbraw/zinc/17/23/36/557172336.db2.gz XRQDHAJSSUEOQU-KRWDZBQOSA-N 0 0 432.977 4.703 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)Cc2coc(-c3ccc(C)cc3C)n2)cc1OCC ZINC000024843141 557173829 /nfs/dbraw/zinc/17/38/29/557173829.db2.gz AVUJALOCCPJBRD-UHFFFAOYSA-N 0 0 437.540 4.826 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)cs2)cc1 ZINC000024865866 557175236 /nfs/dbraw/zinc/17/52/36/557175236.db2.gz VLQWSADUCIREIZ-UHFFFAOYSA-N 0 0 445.470 4.925 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 ZINC000010970036 557181807 /nfs/dbraw/zinc/18/18/07/557181807.db2.gz JBMHIBYULWFVKJ-UHFFFAOYSA-N 0 0 448.894 4.950 50 0 IJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)CCCC(=O)c3cccs3)n2)cc1 ZINC000024954913 557182436 /nfs/dbraw/zinc/18/24/36/557182436.db2.gz NLFXXNIEUOGIQU-UHFFFAOYSA-N 0 0 441.578 4.542 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000024978290 557184980 /nfs/dbraw/zinc/18/49/80/557184980.db2.gz PZBTYDPNYNIMKD-UHFFFAOYSA-N 0 0 425.876 4.530 50 0 IJAARN CCn1c(C)c(C(=O)CN(CC2CCCCC2)C(=O)C2CCCC2)c(C)c1C(=O)OC ZINC000096236651 557185338 /nfs/dbraw/zinc/18/53/38/557185338.db2.gz KFRMWXIADJHRMK-UHFFFAOYSA-N 0 0 430.589 4.693 50 0 IJAARN Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000025027632 557189698 /nfs/dbraw/zinc/18/96/98/557189698.db2.gz PYKWRFNBEIDQRP-SNVBAGLBSA-N 0 0 426.851 4.766 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2CC(C)C)c1 ZINC000009615072 557192187 /nfs/dbraw/zinc/19/21/87/557192187.db2.gz BMUPIHULAWZVOC-UHFFFAOYSA-N 0 0 430.961 4.999 50 0 IJAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000025067180 557194170 /nfs/dbraw/zinc/19/41/70/557194170.db2.gz QHDRZKKTEHTQTR-UHFFFAOYSA-N 0 0 440.902 4.641 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(F)cc3)C(=S)N[C@H]2c2ccc(C)s2)no1 ZINC000011561428 557199865 /nfs/dbraw/zinc/19/98/65/557199865.db2.gz RYFHTNFDACAZES-IBGZPJMESA-N 0 0 442.541 4.841 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)N[C@@H](C)CCc3ccccc3)ccc2n1-c1ccccc1 ZINC000025394512 557207580 /nfs/dbraw/zinc/20/75/80/557207580.db2.gz KENHBIVXYHVYSC-IBGZPJMESA-N 0 0 441.531 4.628 50 0 IJAARN C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)NCCC1=CCCCC1 ZINC000025424783 557209212 /nfs/dbraw/zinc/20/92/12/557209212.db2.gz OKAICXRWXZEVPG-GOSISDBHSA-N 0 0 429.520 4.849 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169677574 557209585 /nfs/dbraw/zinc/20/95/85/557209585.db2.gz XSSHRPPOIVBOPI-LVWPNOBMSA-N 0 0 449.492 4.627 50 0 IJAARN O=C(Nc1cccc(C(=O)N(CCc2cccs2)Cc2cccs2)c1)[C@H]1CCCO1 ZINC000025848184 557228472 /nfs/dbraw/zinc/22/84/72/557228472.db2.gz CFLFLEGFCLHCJW-OAQYLSRUSA-N 0 0 440.590 4.812 50 0 IJAARN Cc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3I)cc2)n1 ZINC000011640125 557230885 /nfs/dbraw/zinc/23/08/85/557230885.db2.gz LMOXMQDCRQLGTO-UHFFFAOYSA-N 0 0 444.276 4.694 50 0 IJAARN Cc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000026072828 557233619 /nfs/dbraw/zinc/23/36/19/557233619.db2.gz CBGWMXUPGXKEGT-OAHLLOKOSA-N 0 0 432.553 4.599 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000026098983 557234269 /nfs/dbraw/zinc/23/42/69/557234269.db2.gz IEBMNOOPYVHJTI-UHFFFAOYSA-N 0 0 433.899 4.733 50 0 IJAARN COc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000018074559 557235305 /nfs/dbraw/zinc/23/53/05/557235305.db2.gz CBWIDXBMZCXKKP-HSZRJFAPSA-N 0 0 430.504 4.512 50 0 IJAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCSc2ccccc21 ZINC000026128939 557235716 /nfs/dbraw/zinc/23/57/16/557235716.db2.gz ZCCHTHVKLYJXOL-UHFFFAOYSA-N 0 0 433.942 4.533 50 0 IJAARN O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000098212871 557235987 /nfs/dbraw/zinc/23/59/87/557235987.db2.gz WWJMUQYGZUCEEO-UHFFFAOYSA-N 0 0 448.420 4.513 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000026923051 557251219 /nfs/dbraw/zinc/25/12/19/557251219.db2.gz KLAUGHGMRLEGDQ-DVECYGJZSA-N 0 0 435.527 4.931 50 0 IJAARN O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000027020343 557254874 /nfs/dbraw/zinc/25/48/74/557254874.db2.gz GWUCOYGFMHFCLQ-QGZVFWFLSA-N 0 0 444.274 4.583 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000101102719 557255693 /nfs/dbraw/zinc/25/56/93/557255693.db2.gz LSSSCLSZTSZTQM-VXNXHJTFSA-N 0 0 441.462 4.667 50 0 IJAARN O=C(NC1CCCC1)C1CCN(C(=O)c2csc(Nc3cccc4ccccc43)n2)CC1 ZINC000000819419 557262739 /nfs/dbraw/zinc/26/27/39/557262739.db2.gz JRARFAFEZVVYSZ-UHFFFAOYSA-N 0 0 448.592 4.951 50 0 IJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027663798 557269934 /nfs/dbraw/zinc/26/99/34/557269934.db2.gz JKHNCNFFPKDCCB-QHCPKHFHSA-N 0 0 425.440 4.576 50 0 IJAARN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000027664499 557270586 /nfs/dbraw/zinc/27/05/86/557270586.db2.gz KZYNNBHWSGEORV-NRFANRHFSA-N 0 0 428.444 4.772 50 0 IJAARN Cc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(I)cc1)=N2 ZINC000100716850 557271102 /nfs/dbraw/zinc/27/11/02/557271102.db2.gz JJPVKLOYBZUDFZ-QGZVFWFLSA-N 0 0 448.695 4.901 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(OCC)cc2)on1 ZINC000027744802 557272503 /nfs/dbraw/zinc/27/25/03/557272503.db2.gz LAWZWTWZFNTYQU-UHFFFAOYSA-N 0 0 442.493 4.742 50 0 IJAARN COc1cc([C@H]2CC(c3ccc(Cl)cc3Cl)=Nc3ncnn32)cc(OC)c1OC ZINC000101032314 557281852 /nfs/dbraw/zinc/28/18/52/557281852.db2.gz HFLMTUAFIMJWFQ-MRXNPFEDSA-N 0 0 433.295 4.667 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101877873 557296274 /nfs/dbraw/zinc/29/62/74/557296274.db2.gz ZOEXBLRRPBBELF-ZNOIYHFQSA-N 0 0 442.309 4.594 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101900393 557296410 /nfs/dbraw/zinc/29/64/10/557296410.db2.gz DXFAMYRPYYQBOG-ZNOIYHFQSA-N 0 0 441.325 4.627 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cc(-c2ccc(OC)cc2)no1 ZINC000014084591 557299974 /nfs/dbraw/zinc/29/99/74/557299974.db2.gz FBURWKOBGDQQKW-HNNXBMFYSA-N 0 0 437.521 4.560 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000032103232 557302211 /nfs/dbraw/zinc/30/22/11/557302211.db2.gz QTUCYAFMEVGIGZ-JTQLQIEISA-N 0 0 436.672 4.649 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1cccnc1 ZINC000101836292 557302690 /nfs/dbraw/zinc/30/26/90/557302690.db2.gz CRZYJSSBLDFHQJ-FQEVSTJZSA-N 0 0 446.873 4.774 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1cccnc1 ZINC000101836692 557303289 /nfs/dbraw/zinc/30/32/89/557303289.db2.gz LFAQDZODYHXEOT-HXUWFJFHSA-N 0 0 428.883 4.635 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(C)cc3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101861444 557304003 /nfs/dbraw/zinc/30/40/03/557304003.db2.gz JGRWSKLCIKXFKU-UHFFFAOYSA-N 0 0 443.551 4.532 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(C)ccc3C)C(=O)C2)cc1 ZINC000101880808 557304905 /nfs/dbraw/zinc/30/49/05/557304905.db2.gz FTRNQWWKGXDEPY-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN CC(C)CCNC(=O)CN1c2ccccc2N=C(c2ccc(Br)s2)CC1=O ZINC000101948205 557308851 /nfs/dbraw/zinc/30/88/51/557308851.db2.gz FENKZRIKQBQHFS-UHFFFAOYSA-N 0 0 448.386 4.530 50 0 IJAARN CCOc1cc(/C=C/C(=O)O[C@@H](C(=O)N(CC)CC)c2ccccc2)cc(Cl)c1OC ZINC000032741676 557314730 /nfs/dbraw/zinc/31/47/30/557314730.db2.gz OTZSVMSVNJMYES-DGXIYAMASA-N 0 0 445.943 4.913 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccccc1 ZINC000014201065 557317360 /nfs/dbraw/zinc/31/73/60/557317360.db2.gz SUCXPCUMKVXARR-LJQANCHMSA-N 0 0 435.574 4.584 50 0 IJAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccccc1OC ZINC000103641983 557317388 /nfs/dbraw/zinc/31/73/88/557317388.db2.gz JLDHSXXFBOVBQH-QNGOZBTKSA-N 0 0 428.488 4.961 50 0 IJAARN O=C(COc1cccc(Cl)c1)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000032931789 557318538 /nfs/dbraw/zinc/31/85/38/557318538.db2.gz JCIPBDLLZJVYPC-UHFFFAOYSA-N 0 0 441.270 4.812 50 0 IJAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccccc2Br)ccc1C ZINC000032932021 557318596 /nfs/dbraw/zinc/31/85/96/557318596.db2.gz XPJWKPQQDMCAIU-UHFFFAOYSA-N 0 0 435.325 4.730 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4cccc(OC)c4)n3)cc2)cc1 ZINC000033130408 557325216 /nfs/dbraw/zinc/32/52/16/557325216.db2.gz LSDUOAXCLMVVIN-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CCOC(=O)c1ccccc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267852 557328334 /nfs/dbraw/zinc/32/83/34/557328334.db2.gz DPVNSEYKIZKSRC-OAQYLSRUSA-N 0 0 442.519 4.704 50 0 IJAARN Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000000836730 557336215 /nfs/dbraw/zinc/33/62/15/557336215.db2.gz ZESSZCVWILCCMK-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COc1cc(C(=O)OCC(=O)NC2CCCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000014360760 557336346 /nfs/dbraw/zinc/33/63/46/557336346.db2.gz WIOPNUNCRGTLDM-UHFFFAOYSA-N 0 0 445.943 4.923 50 0 IJAARN O=S(=O)(NC[C@H](c1c[nH]c2ccccc12)c1cccnc1)c1ccc2c(c1)CCCC2 ZINC000044153849 557338728 /nfs/dbraw/zinc/33/87/28/557338728.db2.gz XOSHEPMNPGLCFE-QHCPKHFHSA-N 0 0 431.561 4.552 50 0 IJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)c1 ZINC000102529440 557340389 /nfs/dbraw/zinc/34/03/89/557340389.db2.gz JPENDRXOFIKHOT-UHFFFAOYSA-N 0 0 443.503 4.508 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)c(OC)c1 ZINC000102529433 557340397 /nfs/dbraw/zinc/34/03/97/557340397.db2.gz DERLNYWFERPHPU-UHFFFAOYSA-N 0 0 443.503 4.508 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3C)C(=O)C2)cc1 ZINC000102530196 557341825 /nfs/dbraw/zinc/34/18/25/557341825.db2.gz HXOPPZQQHHEKOU-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(C(C)C)cc2)cc1OC ZINC000014611116 557345393 /nfs/dbraw/zinc/34/53/93/557345393.db2.gz AMSNFJPUOMQISA-UHFFFAOYSA-N 0 0 446.507 4.979 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000023336865 557349175 /nfs/dbraw/zinc/34/91/75/557349175.db2.gz MDCOZBMWMQHYJN-UHFFFAOYSA-N 0 0 449.526 4.906 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N[C@@H](C)C(C)(C)C)cc2)n1 ZINC000023436289 557354271 /nfs/dbraw/zinc/35/42/71/557354271.db2.gz YHZGSDJVPCALNG-KRWDZBQOSA-N 0 0 449.551 4.889 50 0 IJAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(C)nn4C(C)(C)C)cc3)n2)c1 ZINC000023450648 557356880 /nfs/dbraw/zinc/35/68/80/557356880.db2.gz IGMDEWBYPLPVFU-UHFFFAOYSA-N 0 0 443.551 4.942 50 0 IJAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1)n2CC1CC1)N1CCCC1 ZINC000023438395 557357446 /nfs/dbraw/zinc/35/74/46/557357446.db2.gz IXSDWESQGRSTBX-UHFFFAOYSA-N 0 0 445.585 4.662 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1OC ZINC000023440077 557357714 /nfs/dbraw/zinc/35/77/14/557357714.db2.gz IUBBCGAGQJWXOH-UHFFFAOYSA-N 0 0 427.504 4.733 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)c(F)c2)cc1 ZINC000023445546 557358857 /nfs/dbraw/zinc/35/88/57/557358857.db2.gz RBCRDEJEKDWYAN-XMMPIXPASA-N 0 0 439.458 4.779 50 0 IJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)N[C@@H]4CCc5ccccc54)cc3)n2)o1 ZINC000023460415 557360263 /nfs/dbraw/zinc/36/02/63/557360263.db2.gz KUDHMHJLDYDGRR-OAQYLSRUSA-N 0 0 441.535 4.946 50 0 IJAARN O=C(CCc1ccccc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023455390 557362462 /nfs/dbraw/zinc/36/24/62/557362462.db2.gz DIYBZZOQDNLLLP-UHFFFAOYSA-N 0 0 436.559 4.968 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220711563 557364970 /nfs/dbraw/zinc/36/49/70/557364970.db2.gz XTSPCRUKSDALOR-MRXNPFEDSA-N 0 0 428.895 4.693 50 0 IJAARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102707314 557367264 /nfs/dbraw/zinc/36/72/64/557367264.db2.gz UXQUZXKOZPXCFG-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102711247 557373594 /nfs/dbraw/zinc/37/35/94/557373594.db2.gz YXEPNMZUECRAEI-PCCBWWKXSA-N 0 0 449.304 4.500 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102738888 557380266 /nfs/dbraw/zinc/38/02/66/557380266.db2.gz GKMTWSNGBRALMJ-LHSJRXKWSA-N 0 0 448.479 4.724 50 0 IJAARN COc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102799824 557390207 /nfs/dbraw/zinc/39/02/07/557390207.db2.gz IQEWYRIAWOJENO-INIZCTEOSA-N 0 0 449.255 4.707 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1OC ZINC000011693796 557391957 /nfs/dbraw/zinc/39/19/57/557391957.db2.gz DTCGIZXDKVVFNT-UHFFFAOYSA-N 0 0 426.523 4.635 50 0 IJAARN O=S(=O)(c1cccc(-c2nnc(SC/C=C\c3ccccc3)o2)c1)N1CCCCC1 ZINC000033530867 557408261 /nfs/dbraw/zinc/40/82/61/557408261.db2.gz OWUQVIHSGIGWHI-FLIBITNWSA-N 0 0 441.578 4.717 50 0 IJAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc1 ZINC000408515595 557412303 /nfs/dbraw/zinc/41/23/03/557412303.db2.gz AYYNNQQAQODBDI-GOSISDBHSA-N 0 0 448.592 4.894 50 0 IJAARN CC(=O)N1C[C@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)Oc2ccccc21 ZINC000024474942 557418689 /nfs/dbraw/zinc/41/86/89/557418689.db2.gz YOBHKTVBGVLLFK-OAQYLSRUSA-N 0 0 429.501 4.716 50 0 IJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000024535356 557440913 /nfs/dbraw/zinc/44/09/13/557440913.db2.gz VFMJTPBKLRRIQI-UHFFFAOYSA-N 0 0 444.507 4.556 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccc(Br)cc1 ZINC000102529286 557458053 /nfs/dbraw/zinc/45/80/53/557458053.db2.gz WPJJXYFTASWLJP-UHFFFAOYSA-N 0 0 448.320 4.945 50 0 IJAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000014812656 557458271 /nfs/dbraw/zinc/45/82/71/557458271.db2.gz SRVLKBALNHINLH-DFPJYHPSSA-N 0 0 446.503 4.898 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000019912990 557498829 /nfs/dbraw/zinc/49/88/29/557498829.db2.gz MTQPKXXLQKUAQY-OAHLLOKOSA-N 0 0 434.751 4.547 50 0 IJAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccc(C)cc3)n2)c1 ZINC000105763520 557510241 /nfs/dbraw/zinc/51/02/41/557510241.db2.gz QDILEULKPUAEFQ-UHFFFAOYSA-N 0 0 447.491 4.540 50 0 IJAARN COc1cccc([C@@H](CC(=O)Nc2nc3ccccc3s2)NC(=O)c2ccccc2)c1 ZINC000002751132 557521781 /nfs/dbraw/zinc/52/17/81/557521781.db2.gz NLEYXIJKUJONNK-HXUWFJFHSA-N 0 0 431.517 4.805 50 0 IJAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1F ZINC000003332680 557525297 /nfs/dbraw/zinc/52/52/97/557525297.db2.gz JSEMTCDJSMNAAJ-SXGWCWSVSA-N 0 0 439.295 4.599 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)o1 ZINC000012050763 557525433 /nfs/dbraw/zinc/52/54/33/557525433.db2.gz FCTQDCQWAKBIRG-UHFFFAOYSA-N 0 0 434.521 4.652 50 0 IJAARN CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)nn21 ZINC000044901849 557540389 /nfs/dbraw/zinc/54/03/89/557540389.db2.gz PUXORRNFKVHGGX-UHFFFAOYSA-N 0 0 433.537 4.558 50 0 IJAARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000108171089 557541999 /nfs/dbraw/zinc/54/19/99/557541999.db2.gz UUAPHMQOSYIGMQ-VYDXJSESSA-N 0 0 428.495 4.646 50 0 IJAARN O=C(NC1CCCCCC1)C1CCN(c2ccc(Sc3cccc(F)c3)nn2)CC1 ZINC000045922775 557548009 /nfs/dbraw/zinc/54/80/09/557548009.db2.gz DYZLQEJHVGJBDK-UHFFFAOYSA-N 0 0 428.577 4.822 50 0 IJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)cc1OC ZINC000045941837 557551552 /nfs/dbraw/zinc/55/15/52/557551552.db2.gz VCEZISNTMQRMGQ-XMMPIXPASA-N 0 0 433.479 4.938 50 0 IJAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccc2c(c1)OCO2 ZINC000045943364 557552321 /nfs/dbraw/zinc/55/23/21/557552321.db2.gz SNTLXLWJGSKVCR-UHFFFAOYSA-N 0 0 433.283 4.564 50 0 IJAARN CCOc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1 ZINC000606422255 557635873 /nfs/dbraw/zinc/63/58/73/557635873.db2.gz HVDJPSDUWVYLFQ-GSDHBNRESA-N 0 0 436.596 4.502 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000225505973 557731575 /nfs/dbraw/zinc/73/15/75/557731575.db2.gz ZFOJBYVOLWAQKO-HNNXBMFYSA-N 0 0 433.396 4.851 50 0 IJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NCc1nc2ccc(F)cc2n1C ZINC000225584193 557747130 /nfs/dbraw/zinc/74/71/30/557747130.db2.gz LCUNIINDMCCPMQ-UHFFFAOYSA-N 0 0 448.527 4.697 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000225783349 557777674 /nfs/dbraw/zinc/77/76/74/557777674.db2.gz KHYCBQLUNPAWMG-DEOSSOPVSA-N 0 0 426.451 4.769 50 0 IJAARN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226824671 557809445 /nfs/dbraw/zinc/80/94/45/557809445.db2.gz WETDZGATNOLJMJ-BHDDXSALSA-N 0 0 434.492 4.599 50 0 IJAARN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226899926 557810724 /nfs/dbraw/zinc/81/07/24/557810724.db2.gz JDGAMABBGGXDNF-BHDDXSALSA-N 0 0 434.492 4.599 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000846513 557829087 /nfs/dbraw/zinc/82/90/87/557829087.db2.gz VTEWTLHAOXSWSU-HXUWFJFHSA-N 0 0 438.405 4.551 50 0 IJAARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002949806 557841491 /nfs/dbraw/zinc/84/14/91/557841491.db2.gz UMBFDYRFTKVUIL-KRWDZBQOSA-N 0 0 442.718 4.618 50 0 IJAARN CC(C)(CO)[C@@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cccs1 ZINC000239760946 557845107 /nfs/dbraw/zinc/84/51/07/557845107.db2.gz CIPPGDSSVNDBFO-QFIPXVFZSA-N 0 0 449.576 4.832 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F ZINC000244673700 557849382 /nfs/dbraw/zinc/84/93/82/557849382.db2.gz HUAPZXHZEINKAL-LZQZEXGQSA-N 0 0 436.478 4.957 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000000894258 557862718 /nfs/dbraw/zinc/86/27/18/557862718.db2.gz AHFUQOMUDQCHGN-UHFFFAOYSA-N 0 0 428.517 4.945 50 0 IJAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000866913 562919462 /nfs/dbraw/zinc/91/94/62/562919462.db2.gz QWEBPXLVJBQLNB-CMPLNLGQSA-N 0 0 430.839 4.781 50 0 IJAARN O=C(c1cc(-c2ccccn2)c(N2CCOCC2)s1)c1ccc(Br)cc1 ZINC000001399998 562921702 /nfs/dbraw/zinc/92/17/02/562921702.db2.gz DQEPTXTZVPTXIX-UHFFFAOYSA-N 0 0 429.339 4.640 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)N(C(=O)C1CCCCC1)c1ccc2oc(=O)sc2c1 ZINC000001926423 562925451 /nfs/dbraw/zinc/92/54/51/562925451.db2.gz YZVAEDHJAMFTNC-UHFFFAOYSA-N 0 0 449.525 4.604 50 0 IJAARN COc1ccc(NC(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000002259577 562926643 /nfs/dbraw/zinc/92/66/43/562926643.db2.gz OGAJXPPIWCLYEL-UHFFFAOYSA-N 0 0 433.895 4.754 50 0 IJAARN COc1cc(C2N=NC(=S)N2c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC ZINC000002323427 562926937 /nfs/dbraw/zinc/92/69/37/562926937.db2.gz VYFNERBLMCKEOZ-UHFFFAOYSA-N 0 0 445.850 4.921 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3 ZINC000002358108 562927151 /nfs/dbraw/zinc/92/71/51/562927151.db2.gz QFCVYPFXHGSCGM-UHFFFAOYSA-N 0 0 430.624 4.881 50 0 IJAARN O=C(c1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456562 562927852 /nfs/dbraw/zinc/92/78/52/562927852.db2.gz AKIILAMHSHFHBU-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN CC[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 ZINC000002631720 562928857 /nfs/dbraw/zinc/92/88/57/562928857.db2.gz DXPOHZWEYDMVRU-HSZRJFAPSA-N 0 0 446.503 4.623 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2F)cc1 ZINC000003022672 562931767 /nfs/dbraw/zinc/93/17/67/562931767.db2.gz TWZDZQVUWLAMMZ-UHFFFAOYSA-N 0 0 440.540 4.988 50 0 IJAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000003030956 562931872 /nfs/dbraw/zinc/93/18/72/562931872.db2.gz HIDIBUHVARWQKY-UHFFFAOYSA-N 0 0 435.263 4.624 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCc1ccccc1 ZINC000003033261 562931881 /nfs/dbraw/zinc/93/18/81/562931881.db2.gz QCTVCDJVNPNFCB-UHFFFAOYSA-N 0 0 426.545 4.657 50 0 IJAARN COC(=O)Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003037557 562932070 /nfs/dbraw/zinc/93/20/70/562932070.db2.gz XVVQLRHLUMREOG-UHFFFAOYSA-N 0 0 447.915 4.590 50 0 IJAARN Cc1cc(Br)c(NC(=O)COC(=O)C2CCCCC2)c(Br)c1 ZINC000003224112 562932951 /nfs/dbraw/zinc/93/29/51/562932951.db2.gz LWRLESGJYVTVGL-UHFFFAOYSA-N 0 0 433.140 4.582 50 0 IJAARN O=S(=O)(c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1)N1CCCCC1 ZINC000003249073 562933338 /nfs/dbraw/zinc/93/33/38/562933338.db2.gz MIOXIBMYFKDWGM-UHFFFAOYSA-N 0 0 449.985 4.857 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1c1ccccn1 ZINC000008583653 562949814 /nfs/dbraw/zinc/94/98/14/562949814.db2.gz FLGHFRVRPWUZFB-IBGZPJMESA-N 0 0 433.261 4.700 50 0 IJAARN Cc1ccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000008587473 562950312 /nfs/dbraw/zinc/95/03/12/562950312.db2.gz VFTBFRIDYNQADB-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccccc3Cl)n2)nnn1-c1cc(Cl)ccc1C ZINC000008592363 562952298 /nfs/dbraw/zinc/95/22/98/562952298.db2.gz NUFMWXGCDAYCQO-UHFFFAOYSA-N 0 0 445.335 4.962 50 0 IJAARN CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)cc1 ZINC000008594980 562953170 /nfs/dbraw/zinc/95/31/70/562953170.db2.gz GQJVMAALMMTUFF-FQEVSTJZSA-N 0 0 439.556 4.833 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000008596664 562953845 /nfs/dbraw/zinc/95/38/45/562953845.db2.gz ZCMMMEKWRXAKDC-UHFFFAOYSA-N 0 0 444.572 4.792 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000008597559 562954019 /nfs/dbraw/zinc/95/40/19/562954019.db2.gz QXDIFPHJXXCPKV-NDEPHWFRSA-N 0 0 437.348 4.522 50 0 IJAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000008601179 562955214 /nfs/dbraw/zinc/95/52/14/562955214.db2.gz VVKIUAPNKRYRHR-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000008601577 562955418 /nfs/dbraw/zinc/95/54/18/562955418.db2.gz OUJAOLQKWQJEHV-GOSISDBHSA-N 0 0 437.908 4.718 50 0 IJAARN Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)[C@H]3c1cccc(O)c1 ZINC000008612878 562959314 /nfs/dbraw/zinc/95/93/14/562959314.db2.gz RCQYSSNKIUOLIK-QHCPKHFHSA-N 0 0 429.447 5.000 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c1 ZINC000008613856 562959448 /nfs/dbraw/zinc/95/94/48/562959448.db2.gz HGPFOCIQAJNUSR-UHFFFAOYSA-N 0 0 433.892 4.831 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)cc1 ZINC000008673989 562961370 /nfs/dbraw/zinc/96/13/70/562961370.db2.gz WVVNRSNJRRGAJO-UHFFFAOYSA-N 0 0 441.578 4.662 50 0 IJAARN Cc1ccccc1OCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008685546 562962540 /nfs/dbraw/zinc/96/25/40/562962540.db2.gz PMIDEKUIBJODNN-UHFFFAOYSA-N 0 0 444.940 4.857 50 0 IJAARN O=C(CCCOc1ccc(Br)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000008705040 562963781 /nfs/dbraw/zinc/96/37/81/562963781.db2.gz RFZSHNIIIWJJIY-UHFFFAOYSA-N 0 0 428.273 4.568 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008774523 562964064 /nfs/dbraw/zinc/96/40/64/562964064.db2.gz YEXSIMIVIJXAIC-UHFFFAOYSA-N 0 0 426.925 4.882 50 0 IJAARN CCn1c(SCc2ccc(F)cc2Cl)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 ZINC000008831379 562965047 /nfs/dbraw/zinc/96/50/47/562965047.db2.gz LYZFGNZYVXWKFA-UHFFFAOYSA-N 0 0 447.919 4.560 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)c1 ZINC000008845292 562965178 /nfs/dbraw/zinc/96/51/78/562965178.db2.gz MVMJFKAAGRVKPT-XMMPIXPASA-N 0 0 435.524 4.543 50 0 IJAARN CC(C)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 ZINC000009390612 562969826 /nfs/dbraw/zinc/96/98/26/562969826.db2.gz IIAWGOPFICBZDR-UHFFFAOYSA-N 0 0 433.986 4.734 50 0 IJAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)nc2-c2ccc(C)cc2)cc1 ZINC000009516716 562972718 /nfs/dbraw/zinc/97/27/18/562972718.db2.gz RNSSLXLVIQPNDP-GHTZIAJQSA-N 0 0 448.592 4.598 50 0 IJAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009950004 562977799 /nfs/dbraw/zinc/97/77/99/562977799.db2.gz LYCYQTVOYFGKDD-UHFFFAOYSA-N 0 0 437.521 4.668 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OCC ZINC000012990259 562983805 /nfs/dbraw/zinc/98/38/05/562983805.db2.gz ATMDRMWYEBAZLR-UHFFFAOYSA-N 0 0 438.524 4.640 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1Cl ZINC000015942245 563019607 /nfs/dbraw/zinc/01/96/07/563019607.db2.gz NGVZWCORTKZFHM-UHFFFAOYSA-N 0 0 428.945 4.623 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1OC ZINC000017013512 563021212 /nfs/dbraw/zinc/02/12/12/563021212.db2.gz NANMYAYBCPFSDF-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)c1 ZINC000017026407 563021256 /nfs/dbraw/zinc/02/12/56/563021256.db2.gz BMZCDVZZZPSUFE-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)c1 ZINC000020192440 563024021 /nfs/dbraw/zinc/02/40/21/563024021.db2.gz MRBWHVUGBKVYDH-OAQYLSRUSA-N 0 0 426.538 4.640 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000031173886 563083231 /nfs/dbraw/zinc/08/32/31/563083231.db2.gz COQKAOVNCUUJAY-UHFFFAOYSA-N 0 0 426.419 4.528 50 0 IJAARN Cc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000000903705 568636243 /nfs/dbraw/zinc/63/62/43/568636243.db2.gz OLQNQVZVZCHFFE-UHFFFAOYSA-N 0 0 448.466 4.848 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000000917281 568636676 /nfs/dbraw/zinc/63/66/76/568636676.db2.gz FQYKQNXFRFZXJS-OAHLLOKOSA-N 0 0 429.977 4.817 50 0 IJAARN CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2oc1=O ZINC000000941577 568641707 /nfs/dbraw/zinc/64/17/07/568641707.db2.gz BFRZWGQJGCNTFI-UHFFFAOYSA-N 0 0 434.275 4.705 50 0 IJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000086057247 568642393 /nfs/dbraw/zinc/64/23/93/568642393.db2.gz HQNAZUHPKQTSLQ-GOSISDBHSA-N 0 0 435.549 4.634 50 0 IJAARN CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)c1 ZINC000086057501 568642819 /nfs/dbraw/zinc/64/28/19/568642819.db2.gz SJDCIVJQDXWSSJ-KRWDZBQOSA-N 0 0 441.940 4.588 50 0 IJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Br)cc1 ZINC000000949613 568644361 /nfs/dbraw/zinc/64/43/61/568644361.db2.gz MUNPMOZBKWXXLU-UHFFFAOYSA-N 0 0 429.270 4.704 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000000954553 568647070 /nfs/dbraw/zinc/64/70/70/568647070.db2.gz YVLMJIKLDWTXBK-NSHDSACASA-N 0 0 426.332 4.710 50 0 IJAARN Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(-c2ccccc2)nn1-c1ccccc1 ZINC000001012150 568651912 /nfs/dbraw/zinc/65/19/12/568651912.db2.gz OEVVETSHFSRCLV-UHFFFAOYSA-N 0 0 442.544 4.749 50 0 IJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)c1 ZINC000001026498 568653450 /nfs/dbraw/zinc/65/34/50/568653450.db2.gz MSXXXAFGXDSBAV-UHFFFAOYSA-N 0 0 435.505 4.824 50 0 IJAARN O=S(=O)(N[C@@H](c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000001062616 568656003 /nfs/dbraw/zinc/65/60/03/568656003.db2.gz HCPJJJZLHGDBKR-ZDUSSCGKSA-N 0 0 443.577 4.839 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)Nc3cccn4cc(-c5ccccc5)nc34)nc2c1 ZINC000001076144 568656793 /nfs/dbraw/zinc/65/67/93/568656793.db2.gz QWVHFSSYJISDIO-UHFFFAOYSA-N 0 0 429.505 4.617 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CCCCC2)[C@]1(C)O ZINC000001097606 568658891 /nfs/dbraw/zinc/65/88/91/568658891.db2.gz SQSBTVGPWOKGNJ-IBGZPJMESA-N 0 0 426.435 4.781 50 0 IJAARN O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001113312 568659771 /nfs/dbraw/zinc/65/97/71/568659771.db2.gz MVJDJGBDCVBLIE-UHFFFAOYSA-N 0 0 447.303 4.550 50 0 IJAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccccc2Br)cc1 ZINC000001153831 568663238 /nfs/dbraw/zinc/66/32/38/568663238.db2.gz PJZUCQUTZSAIOM-LJQANCHMSA-N 0 0 429.339 4.870 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(C)c3)n2)cc1OC ZINC000001156294 568663874 /nfs/dbraw/zinc/66/38/74/568663874.db2.gz QYVDYUZKFFAUIG-UHFFFAOYSA-N 0 0 427.551 4.571 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)cc(OCC)c1OCC ZINC000005372116 568742134 /nfs/dbraw/zinc/74/21/34/568742134.db2.gz WFUWBZLBZRJBEH-UHFFFAOYSA-N 0 0 425.485 4.802 50 0 IJAARN COc1ccccc1CCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)c(C)c1 ZINC000002152286 568742984 /nfs/dbraw/zinc/74/29/84/568742984.db2.gz UKZTYLDCULARLU-CJLVFECKSA-N 0 0 434.561 4.503 50 0 IJAARN COc1ccc(CNC(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)cc1 ZINC000003274315 568744831 /nfs/dbraw/zinc/74/48/31/568744831.db2.gz JJRPBBYTMVVLRJ-UHFFFAOYSA-N 0 0 428.583 4.822 50 0 IJAARN O=C(NCc1cccc2ccccc21)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043990863 568745204 /nfs/dbraw/zinc/74/52/04/568745204.db2.gz FFXFQVRSYCHPBR-UHFFFAOYSA-N 0 0 441.531 4.938 50 0 IJAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000044002340 568745525 /nfs/dbraw/zinc/74/55/25/568745525.db2.gz AHXRFVWRZNTJEH-BUHFOSPRSA-N 0 0 443.547 4.620 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 ZINC000044005754 568745584 /nfs/dbraw/zinc/74/55/84/568745584.db2.gz NJBFQTSKXWSYBZ-UHFFFAOYSA-N 0 0 429.561 4.759 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccnc1Cl ZINC000003343593 568746725 /nfs/dbraw/zinc/74/67/25/568746725.db2.gz SUMRELGMIWFPCP-UHFFFAOYSA-N 0 0 433.924 4.985 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000003361755 568747582 /nfs/dbraw/zinc/74/75/82/568747582.db2.gz JFEHPLMYGVBLLW-LJQANCHMSA-N 0 0 447.604 4.932 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000044088143 568747731 /nfs/dbraw/zinc/74/77/31/568747731.db2.gz HQXIEGSREDFDII-UHFFFAOYSA-N 0 0 447.507 4.766 50 0 IJAARN CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000003431401 568749080 /nfs/dbraw/zinc/74/90/80/568749080.db2.gz WWUJEHDXNSMXGL-IBGZPJMESA-N 0 0 443.572 4.979 50 0 IJAARN C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccccc1 ZINC000003501970 568750315 /nfs/dbraw/zinc/75/03/15/568750315.db2.gz FUZITSDCPHYVNR-KRWDZBQOSA-N 0 0 447.535 4.553 50 0 IJAARN O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)N1CCCCC1 ZINC000003553203 568750705 /nfs/dbraw/zinc/75/07/05/568750705.db2.gz OWWSDGZDMAMFTK-UHFFFAOYSA-N 0 0 426.563 4.758 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OCCC)c(=O)n3n2)cc1 ZINC000003650943 568752852 /nfs/dbraw/zinc/75/28/52/568752852.db2.gz AKFPOBDOYJYRBE-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000015269773 568753615 /nfs/dbraw/zinc/75/36/15/568753615.db2.gz TYWMOXCXPPHHAT-UHFFFAOYSA-N 0 0 426.538 4.616 50 0 IJAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC000263585691 568759028 /nfs/dbraw/zinc/75/90/28/568759028.db2.gz LKOVFJVLTSSYEC-NRFANRHFSA-N 0 0 432.524 4.734 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)c(Cl)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586143 568759343 /nfs/dbraw/zinc/75/93/43/568759343.db2.gz QPJJHOLZIAKBSD-NRFANRHFSA-N 0 0 435.911 4.781 50 0 biogenic IJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)c(F)c5)no4)c3CO2)cc1 ZINC000263615827 568776172 /nfs/dbraw/zinc/77/61/72/568776172.db2.gz FJOPZDPSRKXBSE-SFHVURJKSA-N 0 0 426.835 4.673 50 0 IJAARN C[C@](O)(CSc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001388625 568784784 /nfs/dbraw/zinc/78/47/84/568784784.db2.gz TXWPYTALJQAOHG-INIZCTEOSA-N 0 0 434.277 4.950 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1cccc(C(F)(F)F)c1 ZINC000001393945 568785515 /nfs/dbraw/zinc/78/55/15/568785515.db2.gz HHOOJHSWIXFEBQ-UHFFFAOYSA-N 0 0 435.423 4.506 50 0 IJAARN Cc1c(C)n(Cc2ccccc2)c(-n2cccc2)c1CNS(=O)(=O)c1ccc(C)cc1 ZINC000001398805 568785683 /nfs/dbraw/zinc/78/56/83/568785683.db2.gz LQTXZUYQFTVQLG-UHFFFAOYSA-N 0 0 433.577 4.731 50 0 IJAARN COc1cccc(C2=CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)CC2)c1 ZINC000083970570 568787564 /nfs/dbraw/zinc/78/75/64/568787564.db2.gz RCTGUNGBHSFYHD-UHFFFAOYSA-N 0 0 443.450 4.645 50 0 IJAARN CN(C)c1ccc(NC(=O)C(C)(C)N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2)cc1 ZINC000001410265 568787906 /nfs/dbraw/zinc/78/79/06/568787906.db2.gz MLVJEFAABAUSBK-UHFFFAOYSA-N 0 0 447.554 4.880 50 0 IJAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)c1ccccc1 ZINC000001117496 568788012 /nfs/dbraw/zinc/78/80/12/568788012.db2.gz BHPSWXGYXDLLSQ-NRFANRHFSA-N 0 0 447.874 4.959 50 0 IJAARN CN(C)c1ccc(NC(=O)C(C)(C)N(Cc2ccccc2F)C(=O)Cc2ccccc2)cc1 ZINC000001410873 568788404 /nfs/dbraw/zinc/78/84/04/568788404.db2.gz POUWNHIQRQYKFN-UHFFFAOYSA-N 0 0 447.554 4.880 50 0 IJAARN Cc1ccccc1O[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000001420960 568792951 /nfs/dbraw/zinc/79/29/51/568792951.db2.gz PSJCOTJBQQQXBW-ZEQRLZLVSA-N 0 0 435.907 4.951 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2CCCN2CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084284351 568796863 /nfs/dbraw/zinc/79/68/63/568796863.db2.gz HALJTWOZLXGUNG-NRFANRHFSA-N 0 0 449.016 4.817 50 0 IJAARN Cc1nccc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)n1 ZINC000084290727 568796985 /nfs/dbraw/zinc/79/69/85/568796985.db2.gz IGAJSXCUPGYCJQ-UHFFFAOYSA-N 0 0 427.233 4.747 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cccc(N2CCNC2=O)c1 ZINC000084374328 568797478 /nfs/dbraw/zinc/79/74/78/568797478.db2.gz DHSKOOCYWMOZND-UHFFFAOYSA-N 0 0 447.347 4.823 50 0 IJAARN O=C(Nc1cc2c(cc1Br)OCCO2)N1CCC(Cc2cccc(F)c2)CC1 ZINC000084372418 568797613 /nfs/dbraw/zinc/79/76/13/568797613.db2.gz QAZVQDJCOZDFAP-UHFFFAOYSA-N 0 0 449.320 4.846 50 0 IJAARN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000084405332 568797793 /nfs/dbraw/zinc/79/77/93/568797793.db2.gz IUQSHRDIQKHRPX-MSOLQXFVSA-N 0 0 433.335 4.680 50 0 IJAARN CCc1oc2ccccc2c1/C=C/C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000015577179 568798811 /nfs/dbraw/zinc/79/88/11/568798811.db2.gz BMMXRSKNFPRGRU-PKNBQFBNSA-N 0 0 426.519 4.660 50 0 IJAARN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)N(C)C1CCCCC1 ZINC000084667944 568799833 /nfs/dbraw/zinc/79/98/33/568799833.db2.gz NGFREEYENKVQLO-ZDUSSCGKSA-N 0 0 425.360 4.827 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(c3ccc(F)cc3)CC1)c2-n1cccc1 ZINC000015632783 568800308 /nfs/dbraw/zinc/80/03/08/568800308.db2.gz DODDFAMTJUYKCC-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)C[C@@H](C)O1 ZINC000084713802 568800324 /nfs/dbraw/zinc/80/03/24/568800324.db2.gz GIQFAKHPWSIZOB-VXGBXAGGSA-N 0 0 447.379 4.985 50 0 IJAARN COc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)cc(OC)c1OC ZINC000015671707 568802778 /nfs/dbraw/zinc/80/27/78/568802778.db2.gz JUDXJXREBVHTHU-UHFFFAOYSA-N 0 0 441.553 4.765 50 0 IJAARN CC1CCC(NC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000015680092 568805848 /nfs/dbraw/zinc/80/58/48/568805848.db2.gz AMAGQQRWCGQKJM-UHFFFAOYSA-N 0 0 427.932 4.963 50 0 IJAARN CSc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000015681441 568806766 /nfs/dbraw/zinc/80/67/66/568806766.db2.gz XKJDREIRZWCEQQ-UHFFFAOYSA-N 0 0 430.577 4.974 50 0 IJAARN Cc1cccc(-c2nc(SCc3cc(=O)n4c(-c5ccccc5)csc4n3)n[nH]2)c1 ZINC000015732023 568814780 /nfs/dbraw/zinc/81/47/80/568814780.db2.gz XDMUWCJTPIQSFS-UHFFFAOYSA-N 0 0 431.546 4.809 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733391 568815627 /nfs/dbraw/zinc/81/56/27/568815627.db2.gz IPUPCNVXZPRGIN-LJQANCHMSA-N 0 0 427.504 4.920 50 0 IJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000085391569 568816722 /nfs/dbraw/zinc/81/67/22/568816722.db2.gz PARXYEOIDWUZHU-RUZDIDTESA-N 0 0 431.492 4.640 50 0 IJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 ZINC000001448099 568817475 /nfs/dbraw/zinc/81/74/75/568817475.db2.gz JOWUUJUNPULJNE-UHFFFAOYSA-N 0 0 434.375 4.730 50 0 IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccccc31)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000001453760 568818998 /nfs/dbraw/zinc/81/89/98/568818998.db2.gz YBCHQPJTKSIVRH-GBXCKJPGSA-N 0 0 431.879 4.697 50 0 IJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3cccc(OC)c3)cc21 ZINC000001463698 568820065 /nfs/dbraw/zinc/82/00/65/568820065.db2.gz YQLWMPUYEXICHV-UHFFFAOYSA-N 0 0 433.254 4.908 50 0 IJAARN CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc32)c(C(=O)OCC)c1C ZINC000001465824 568820186 /nfs/dbraw/zinc/82/01/86/568820186.db2.gz DHPUXZOWHNJNDQ-UHFFFAOYSA-N 0 0 425.506 4.744 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000001468050 568820462 /nfs/dbraw/zinc/82/04/62/568820462.db2.gz DNVBJLPKBONOHX-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001471073 568821753 /nfs/dbraw/zinc/82/17/53/568821753.db2.gz RABOQRCFZNLQJO-GOSISDBHSA-N 0 0 442.968 4.520 50 0 IJAARN CCN(CCC[NH2+]Cc1c(C)n(Cc2ccccc2F)c(C)c1C(=O)[O-])c1ccccc1 ZINC000015776813 568824031 /nfs/dbraw/zinc/82/40/31/568824031.db2.gz LGONTCHIRSVSOQ-UHFFFAOYSA-N 0 0 437.559 4.997 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c(C)c1 ZINC000085568815 568825351 /nfs/dbraw/zinc/82/53/51/568825351.db2.gz NMJYZQKCRLKZCR-UHFFFAOYSA-N 0 0 428.941 4.574 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccccc1CC)CC2 ZINC000015781716 568826182 /nfs/dbraw/zinc/82/61/82/568826182.db2.gz ZHJWMJOLPBCTDK-NRFANRHFSA-N 0 0 440.540 4.741 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)n2)c1 ZINC000085609831 568828157 /nfs/dbraw/zinc/82/81/57/568828157.db2.gz LWKKZALLPSEJRK-UHFFFAOYSA-N 0 0 429.451 4.511 50 0 IJAARN Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)n2)cc1C ZINC000085644378 568829079 /nfs/dbraw/zinc/82/90/79/568829079.db2.gz HQDMQKVZTIKQQY-UHFFFAOYSA-N 0 0 426.398 4.644 50 0 IJAARN COc1ccc(CNC(=O)C[C@@H]2COc3ccc(Cl)cc3N2Cc2ccccc2)cc1 ZINC000085648762 568830718 /nfs/dbraw/zinc/83/07/18/568830718.db2.gz JIABNGCVCCOHSV-OAQYLSRUSA-N 0 0 436.939 4.823 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)NC2CCCCC2)c1C ZINC000085712114 568835373 /nfs/dbraw/zinc/83/53/73/568835373.db2.gz NCUDJBLOYMBZBL-UHFFFAOYSA-N 0 0 441.572 4.861 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)S(=O)(=O)c2cccs2)c1C ZINC000085712425 568835523 /nfs/dbraw/zinc/83/55/23/568835523.db2.gz MPGDPYHAWXFCMU-UHFFFAOYSA-N 0 0 446.594 4.569 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000085712616 568835549 /nfs/dbraw/zinc/83/55/49/568835549.db2.gz BVUUHOCPBUXILU-UHFFFAOYSA-N 0 0 440.565 4.508 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)COc2cccc(C)c2)c1C ZINC000085711626 568835780 /nfs/dbraw/zinc/83/57/80/568835780.db2.gz OOUZBRUTGYRHIL-UHFFFAOYSA-N 0 0 448.563 4.767 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000020113740 568838407 /nfs/dbraw/zinc/83/84/07/568838407.db2.gz NIDHXYCNIMGZFS-OTZUMCJQSA-N 0 0 438.543 4.823 50 0 IJAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000104916486 568839138 /nfs/dbraw/zinc/83/91/38/568839138.db2.gz BTUZABDNGLHCGQ-TZIWHRDSSA-N 0 0 449.904 4.505 50 0 IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3ccccc3)CC(=O)O4)c2=O)cc1 ZINC000085879973 568839191 /nfs/dbraw/zinc/83/91/91/568839191.db2.gz NHXLEVQANUCFRQ-GOSISDBHSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN O=C(NCCc1ccccc1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001517211 568840438 /nfs/dbraw/zinc/84/04/38/568840438.db2.gz FNUGVRDDBZFPFN-UHFFFAOYSA-N 0 0 434.805 4.634 50 0 IJAARN Cc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NC(C)(C)C)n1Cc1ccccc1 ZINC000015835341 568843554 /nfs/dbraw/zinc/84/35/54/568843554.db2.gz AVYJCYCDQMCJSX-UHFFFAOYSA-N 0 0 447.608 4.714 50 0 IJAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2cccc(F)c2)cc1 ZINC000015860620 568847896 /nfs/dbraw/zinc/84/78/96/568847896.db2.gz MOFYWVYIXQLFBU-UHFFFAOYSA-N 0 0 448.523 4.787 50 0 IJAARN O=C(CSC1=NC(c2ccccc2)=NCN1c1ccc(F)cc1)Nc1cccc(F)c1 ZINC000015860607 568847901 /nfs/dbraw/zinc/84/79/01/568847901.db2.gz DLFXFHPPNBZTHI-UHFFFAOYSA-N 0 0 436.487 4.917 50 0 IJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000006156079 568848217 /nfs/dbraw/zinc/84/82/17/568848217.db2.gz VAMYRYWJYPLDBF-HKLCMNTNSA-N 0 0 426.601 4.561 50 0 IJAARN COc1cc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)cc(OC)c1OC ZINC000015863864 568849529 /nfs/dbraw/zinc/84/95/29/568849529.db2.gz YPHYIWMEWFGEOD-UHFFFAOYSA-N 0 0 431.492 4.626 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1ccc(Cl)cc1 ZINC000015880671 568854264 /nfs/dbraw/zinc/85/42/64/568854264.db2.gz GFBLTQRDMOLKKT-UHFFFAOYSA-N 0 0 449.363 4.995 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000015881765 568856103 /nfs/dbraw/zinc/85/61/03/568856103.db2.gz XEFJOIRENIBCML-UHFFFAOYSA-N 0 0 433.537 4.570 50 0 IJAARN Cc1cc(C)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000015913073 568858744 /nfs/dbraw/zinc/85/87/44/568858744.db2.gz REFVKNVIGVHIIV-IBGZPJMESA-N 0 0 444.398 4.806 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000016048028 568869424 /nfs/dbraw/zinc/86/94/24/568869424.db2.gz NPOACQAPHCURSG-UHFFFAOYSA-N 0 0 426.494 4.515 50 0 IJAARN CCOC(=O)Nc1ccc2c(COC(=O)CCc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000012951606 568872282 /nfs/dbraw/zinc/87/22/82/568872282.db2.gz GNQMPTWQMUFGHE-UHFFFAOYSA-N 0 0 429.856 4.691 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2cccc(F)c2)sc2c1CC[C@H](C)C2 ZINC000016043483 568873433 /nfs/dbraw/zinc/87/34/33/568873433.db2.gz OYFUGLAAPPJEMK-GJZGRUSLSA-N 0 0 432.561 4.648 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000016312271 568876666 /nfs/dbraw/zinc/87/66/66/568876666.db2.gz UEZYBTFBHMCMEP-IBVKSMDESA-N 0 0 449.620 4.661 50 0 IJAARN CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517385 568876723 /nfs/dbraw/zinc/87/67/23/568876723.db2.gz MFRRTMMMZDOFQG-IQMFZBJNSA-N 0 0 434.565 4.749 50 0 IJAARN O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1cccc(C(F)(F)F)c1 ZINC000575609465 568878808 /nfs/dbraw/zinc/87/88/08/568878808.db2.gz BXSZEIGUWSUDAV-CQSZACIVSA-N 0 0 433.498 4.507 50 0 IJAARN O=C(c1cc(Cl)sc1Cl)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575615907 568881516 /nfs/dbraw/zinc/88/15/16/568881516.db2.gz GZVUVYREDXYYTG-CYBMUJFWSA-N 0 0 438.785 4.710 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575617777 568881969 /nfs/dbraw/zinc/88/19/69/568881969.db2.gz RAJZAKFKPYUBDV-QHCPKHFHSA-N 0 0 437.543 4.782 50 0 IJAARN O=C(Cc1ccccc1Br)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478132 568882587 /nfs/dbraw/zinc/88/25/87/568882587.db2.gz SUYFVIWJYHGIQY-UHFFFAOYSA-N 0 0 444.304 4.587 50 0 IJAARN O=C(/C=C/c1ccc2ccccc2n1)OCc1nnc(-c2ccccc2Br)o1 ZINC000009635350 568884166 /nfs/dbraw/zinc/88/41/66/568884166.db2.gz KTCSTFPBBLPDKS-VAWYXSNFSA-N 0 0 436.265 4.804 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SC)cc1 ZINC000010511835 568884478 /nfs/dbraw/zinc/88/44/78/568884478.db2.gz PETYUMMWZHEVFQ-UHFFFAOYSA-N 0 0 440.590 4.872 50 0 IJAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000090594518 568889301 /nfs/dbraw/zinc/88/93/01/568889301.db2.gz MNJIHCWHCWSYIN-QGZVFWFLSA-N 0 0 446.404 4.792 50 0 IJAARN COc1ccc(SCC2CCN(C(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000090608257 568891006 /nfs/dbraw/zinc/89/10/06/568891006.db2.gz HIXUNQZLJOTBMM-VZUCSPMQSA-N 0 0 427.566 4.757 50 0 IJAARN COc1cc(/C=C/C(=O)N2CCC(CSc3nc(C)cs3)CC2)cc(OC)c1OC ZINC000090608095 568891055 /nfs/dbraw/zinc/89/10/55/568891055.db2.gz USNLWOKDWGMSPP-AATRIKPKSA-N 0 0 448.610 4.521 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2csc(-c3ccco3)n2)c1 ZINC000012977216 568891215 /nfs/dbraw/zinc/89/12/15/568891215.db2.gz OZPXGLRKIHSVNK-UHFFFAOYSA-N 0 0 433.489 4.845 50 0 IJAARN O=C(NCC(O)(c1cccs1)c1cccs1)c1cc(Br)ccc1Cl ZINC000090617268 568892640 /nfs/dbraw/zinc/89/26/40/568892640.db2.gz FNWRAESIJUCLTF-UHFFFAOYSA-N 0 0 442.787 4.891 50 0 IJAARN CC(C)(C)c1nc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)no1 ZINC000032927385 568895924 /nfs/dbraw/zinc/89/59/24/568895924.db2.gz SFYCXCQNJBSADT-UHFFFAOYSA-N 0 0 426.511 4.553 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000013004263 568898359 /nfs/dbraw/zinc/89/83/59/568898359.db2.gz ZRGFDWBOWGYSFK-UHFFFAOYSA-N 0 0 438.380 4.628 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2OCC)n1 ZINC000013008930 568899734 /nfs/dbraw/zinc/89/97/34/568899734.db2.gz PESOPNOASZLGRQ-HNNXBMFYSA-N 0 0 436.537 4.973 50 0 IJAARN O=C(CSc1nnnn1Cc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000016447095 568902838 /nfs/dbraw/zinc/90/28/38/568902838.db2.gz ZKQBGLRZGIPSDK-UHFFFAOYSA-N 0 0 431.546 4.643 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Br)cc4)c(=O)c23)C1 ZINC000001784991 568907477 /nfs/dbraw/zinc/90/74/77/568907477.db2.gz BPNCURRXFOYNOZ-ZDUSSCGKSA-N 0 0 432.387 4.815 50 0 IJAARN CC(C)OC(=O)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000001785014 568907508 /nfs/dbraw/zinc/90/75/08/568907508.db2.gz UYJYFVLOMMNLMR-QGZVFWFLSA-N 0 0 439.581 4.618 50 0 IJAARN CSc1sc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc1C ZINC000064314923 568907631 /nfs/dbraw/zinc/90/76/31/568907631.db2.gz HFPUFIIAABCWML-UHFFFAOYSA-N 0 0 431.608 4.991 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)c1C ZINC000001805654 568908645 /nfs/dbraw/zinc/90/86/45/568908645.db2.gz ABUXRIGLTKAIKA-UHFFFAOYSA-N 0 0 440.594 4.806 50 0 IJAARN Cc1ccc(N2Oc3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3[C@H]2c2ccco2)cc1 ZINC000238923545 568910190 /nfs/dbraw/zinc/91/01/90/568910190.db2.gz OSIPTGSIYCIGGH-ZCNNSNEGSA-N 0 0 442.393 4.658 50 0 IJAARN O=C(NCc1ccc2c(=O)cc[nH]c2c1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000242324384 568912738 /nfs/dbraw/zinc/91/27/38/568912738.db2.gz ZAXKXAOVLBABIO-UHFFFAOYSA-N 0 0 436.855 4.761 50 0 IJAARN COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000001951711 568923726 /nfs/dbraw/zinc/92/37/26/568923726.db2.gz VDVUDVHCHDWMMB-UHFFFAOYSA-N 0 0 433.435 4.934 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(c3ccccc3F)CC1)oc1ccccc12 ZINC000089518883 568929011 /nfs/dbraw/zinc/92/90/11/568929011.db2.gz DFSPTFFPFKCHMG-QGZVFWFLSA-N 0 0 447.510 4.883 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1Cl ZINC000064452456 568929240 /nfs/dbraw/zinc/92/92/40/568929240.db2.gz ILCNZOLHOUYXQU-MRXNPFEDSA-N 0 0 438.915 4.786 50 0 IJAARN CSc1cccc(NC(=O)N2CCc3c(c(COCc4ccc(C)cc4)nn3C)C2)c1 ZINC000064565874 568932637 /nfs/dbraw/zinc/93/26/37/568932637.db2.gz VBMSGIALYLEJBX-UHFFFAOYSA-N 0 0 436.581 4.757 50 0 IJAARN COc1cccc2c(Nc3ccc(Cl)cc3F)cc(C(=O)N3CCSCC3)nc12 ZINC000064568512 568933722 /nfs/dbraw/zinc/93/37/22/568933722.db2.gz RAGXLKNVAZYGTM-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN O=C([O-])c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064589387 568934807 /nfs/dbraw/zinc/93/48/07/568934807.db2.gz XXRSKJXXTAGLFA-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN C=Cc1ccc(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)cc1 ZINC000064593859 568936147 /nfs/dbraw/zinc/93/61/47/568936147.db2.gz XPKUYPXKMASDJD-UHFFFAOYSA-N 0 0 439.338 4.578 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@H](C)C(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000064605368 568939640 /nfs/dbraw/zinc/93/96/40/568939640.db2.gz DCVDEXXDYASWKI-LJQANCHMSA-N 0 0 446.551 4.630 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 ZINC000064605414 568939690 /nfs/dbraw/zinc/93/96/90/568939690.db2.gz QUKCJPKENBAFLL-UHFFFAOYSA-N 0 0 427.504 4.639 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCCC4)c3c2)CC1 ZINC000064611914 568941757 /nfs/dbraw/zinc/94/17/57/568941757.db2.gz FYMFXQKPPGVPGO-UHFFFAOYSA-N 0 0 445.567 4.544 50 0 IJAARN CC(C)Oc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656657 568942215 /nfs/dbraw/zinc/94/22/15/568942215.db2.gz JUYRRUPUPDCQRG-GOSISDBHSA-N 0 0 427.547 4.842 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)n2C)n1 ZINC000064668245 568943053 /nfs/dbraw/zinc/94/30/53/568943053.db2.gz BJKWJECTZZOIHZ-UHFFFAOYSA-N 0 0 440.388 4.637 50 0 IJAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)N1CCc2ccccc21 ZINC000064676315 568944012 /nfs/dbraw/zinc/94/40/12/568944012.db2.gz KZUIHEYJKPONMC-UHFFFAOYSA-N 0 0 438.350 4.957 50 0 IJAARN CCOc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)CC)cc1 ZINC000036063835 568945129 /nfs/dbraw/zinc/94/51/29/568945129.db2.gz XKAOAXIMYAJVHW-SFHVURJKSA-N 0 0 439.531 4.943 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1F ZINC000064747150 568949953 /nfs/dbraw/zinc/94/99/53/568949953.db2.gz BGPRVIXVMICLSM-MRXNPFEDSA-N 0 0 435.377 4.880 50 0 IJAARN COC(=O)c1sccc1NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000064747430 568949970 /nfs/dbraw/zinc/94/99/70/568949970.db2.gz HEPAMYMHBUKPKM-CQSZACIVSA-N 0 0 432.889 4.607 50 0 IJAARN COc1c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2oc1C(=O)Nc1ccc(C)cc1 ZINC000064755684 568951106 /nfs/dbraw/zinc/95/11/06/568951106.db2.gz KXNJGAVSMUHCRP-UHFFFAOYSA-N 0 0 444.443 4.983 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 ZINC000064757133 568951298 /nfs/dbraw/zinc/95/12/98/568951298.db2.gz VMAKUSAGDRJJGH-UHFFFAOYSA-N 0 0 435.616 4.553 50 0 IJAARN CC(=O)Oc1c(-c2ccc(N)cc2)c(-c2ccc3c(c2)OCO3)nn1-c1ccc(C)cc1 ZINC000036094897 568951427 /nfs/dbraw/zinc/95/14/27/568951427.db2.gz SYQWKOHJVZTXAO-UHFFFAOYSA-N 0 0 427.460 4.751 50 0 IJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1F ZINC000036106901 568953863 /nfs/dbraw/zinc/95/38/63/568953863.db2.gz XPLLDLQNIWTISJ-UHFFFAOYSA-N 0 0 428.529 4.767 50 0 IJAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115371 568955247 /nfs/dbraw/zinc/95/52/47/568955247.db2.gz KHEAGFXOZNJHEH-QGZVFWFLSA-N 0 0 446.594 4.720 50 0 IJAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115382 568955264 /nfs/dbraw/zinc/95/52/64/568955264.db2.gz QRXRDQNEURBWDM-UHFFFAOYSA-N 0 0 430.595 4.940 50 0 IJAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115358 568955289 /nfs/dbraw/zinc/95/52/89/568955289.db2.gz AFXGZNMHDXTULG-UHFFFAOYSA-N 0 0 430.595 4.858 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000064787898 568956283 /nfs/dbraw/zinc/95/62/83/568956283.db2.gz TYKNUGICAASQEN-UHFFFAOYSA-N 0 0 433.386 4.833 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)[C@@H](C)CC ZINC000036119910 568956974 /nfs/dbraw/zinc/95/69/74/568956974.db2.gz IDQZTCXMXZTNBW-GHTZIAJQSA-N 0 0 428.598 4.598 50 0 IJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000006722384 568963027 /nfs/dbraw/zinc/96/30/27/568963027.db2.gz RWNUBGCYDPYEPY-NRFANRHFSA-N 0 0 431.621 4.681 50 0 IJAARN O=C(c1cccc(F)c1)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152428 568963538 /nfs/dbraw/zinc/96/35/38/568963538.db2.gz IPQDQVKNYVHPRC-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152536 568963620 /nfs/dbraw/zinc/96/36/20/568963620.db2.gz KQRAJJBQLOOXAX-DEOSSOPVSA-N 0 0 434.948 4.929 50 0 IJAARN CC(C)(C)NC(=O)[C@@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1CCC1=CCCCC1 ZINC000064815936 568963688 /nfs/dbraw/zinc/96/36/88/568963688.db2.gz OMPCYGFJYAZHED-XMMPIXPASA-N 0 0 440.613 4.631 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SC(C)(C)CN1C(=O)C1CCC1)C(=O)N2Cc1ccc(F)cc1 ZINC000036153155 568965090 /nfs/dbraw/zinc/96/50/90/568965090.db2.gz MQPOJCGNPUSHGC-RUZDIDTESA-N 0 0 438.568 4.988 50 0 IJAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4ccc(F)cc4)cc3nc2N2CCCC2)c1 ZINC000064819426 568966220 /nfs/dbraw/zinc/96/62/20/568966220.db2.gz IYNZFEAZZMGODE-UHFFFAOYSA-N 0 0 442.494 4.686 50 0 IJAARN Cc1ccc(-c2noc(C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)n2)cc1 ZINC000064818233 568966389 /nfs/dbraw/zinc/96/63/89/568966389.db2.gz DIGOIQOCCAXHGJ-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN COc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc(OC)c1OC ZINC000064820009 568966722 /nfs/dbraw/zinc/96/67/22/568966722.db2.gz ROBFPBKUAUFLCL-UHFFFAOYSA-N 0 0 441.915 4.894 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)c1 ZINC000036164628 568968084 /nfs/dbraw/zinc/96/80/84/568968084.db2.gz FWIXNIXHRHLIIG-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000064837509 568969171 /nfs/dbraw/zinc/96/91/71/568969171.db2.gz XHRFKMCGWRTDRL-UHFFFAOYSA-N 0 0 439.306 4.969 50 0 IJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccccc3Cl)CC1)N2 ZINC000064848190 568971498 /nfs/dbraw/zinc/97/14/98/568971498.db2.gz HJRLZUZPGBHVJJ-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000064844681 568971869 /nfs/dbraw/zinc/97/18/69/568971869.db2.gz KNOTXXLKZNAZDG-UHFFFAOYSA-N 0 0 445.444 4.683 50 0 IJAARN Cc1ccccc1CNC(=O)CC1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000064847268 568972206 /nfs/dbraw/zinc/97/22/06/568972206.db2.gz SLWRGVOQRCGTNR-UHFFFAOYSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1OC ZINC000064858564 568972238 /nfs/dbraw/zinc/97/22/38/568972238.db2.gz GOGNVVJZLPRLBO-UHFFFAOYSA-N 0 0 445.563 4.597 50 0 biogenic IJAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869900 568976506 /nfs/dbraw/zinc/97/65/06/568976506.db2.gz RVPSVOOHLGWQBD-CQSZACIVSA-N 0 0 427.501 4.879 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872970 568978136 /nfs/dbraw/zinc/97/81/36/568978136.db2.gz LVISKVWAEJFFDO-UHFFFAOYSA-N 0 0 428.870 4.930 50 0 IJAARN COc1cc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cc(F)ccc2C)cc(OC)c1 ZINC000036248349 568982618 /nfs/dbraw/zinc/98/26/18/568982618.db2.gz LCIPFVHDZIFZIX-UHFFFAOYSA-N 0 0 447.503 4.994 50 0 IJAARN COc1cc(OC)cc(N(Cc2ccccc2OC)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248530 568983008 /nfs/dbraw/zinc/98/30/08/568983008.db2.gz FALOBYJKUAWTOD-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccc(C)cc1 ZINC000036249258 568983231 /nfs/dbraw/zinc/98/32/31/568983231.db2.gz WGQXAWNFIDRMJJ-UHFFFAOYSA-N 0 0 437.515 4.678 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN([C@@H](C(=O)NC[C@H](C)CC)C3CCCC3)CC2)cc1 ZINC000036254448 568984811 /nfs/dbraw/zinc/98/48/11/568984811.db2.gz WWRHBDATEKPUEV-PXDATVDWSA-N 0 0 441.660 4.508 50 0 IJAARN COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000064928078 568987135 /nfs/dbraw/zinc/98/71/35/568987135.db2.gz GFYUSYGNZNHDHI-UHFFFAOYSA-N 0 0 449.473 4.664 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928965 568987240 /nfs/dbraw/zinc/98/72/40/568987240.db2.gz JXHCGXPKJPASRS-JOCHJYFZSA-N 0 0 432.543 4.939 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928925 568987290 /nfs/dbraw/zinc/98/72/90/568987290.db2.gz NSKLMXXFDFZAQU-HNNXBMFYSA-N 0 0 428.870 4.930 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2cccc(F)c2)s1 ZINC000064930227 568988041 /nfs/dbraw/zinc/98/80/41/568988041.db2.gz SZVYRCYPLQTXLW-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064930034 568988387 /nfs/dbraw/zinc/98/83/87/568988387.db2.gz KGFDGMUIBUIKEJ-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930343 568988637 /nfs/dbraw/zinc/98/86/37/568988637.db2.gz UOYASGSMGXMWAY-SFHVURJKSA-N 0 0 439.516 4.861 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930423 568988916 /nfs/dbraw/zinc/98/89/16/568988916.db2.gz HTBQGHZOLQIKKY-INIZCTEOSA-N 0 0 427.917 4.813 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)s1 ZINC000064930416 568988942 /nfs/dbraw/zinc/98/89/42/568988942.db2.gz DOMCQRBYWBTANT-INIZCTEOSA-N 0 0 447.442 4.577 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930643 568989052 /nfs/dbraw/zinc/98/90/52/568989052.db2.gz OCOSABARFMSUCB-MRXNPFEDSA-N 0 0 427.917 4.813 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000064930835 568989197 /nfs/dbraw/zinc/98/91/97/568989197.db2.gz OLSBVYBACDYQNE-KRWDZBQOSA-N 0 0 443.479 4.746 50 0 IJAARN COc1ccccc1N1CCN(CC(=O)N2c3cc(C)c(C)cc3[C@@H](C)CC2(C)C)CC1 ZINC000169681400 568992277 /nfs/dbraw/zinc/99/22/77/568992277.db2.gz LSIQBMAVNKOQMG-NRFANRHFSA-N 0 0 435.612 4.753 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681219 568992784 /nfs/dbraw/zinc/99/27/84/568992784.db2.gz LOSWRCZNLPKUGK-UHFFFAOYSA-N 0 0 446.869 4.742 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944112 568993309 /nfs/dbraw/zinc/99/33/09/568993309.db2.gz XEJBPJKSUPSGHN-UHFFFAOYSA-N 0 0 443.598 4.515 50 0 IJAARN Cc1ccc(CNc2ccc(SCC(=O)NCCc3ccc(Cl)cc3)nn2)cc1 ZINC000064944920 568993354 /nfs/dbraw/zinc/99/33/54/568993354.db2.gz MOJGYVRKGHYWOV-UHFFFAOYSA-N 0 0 426.973 4.502 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)CC)C[C@@H]1CCCO1 ZINC000036302999 568993609 /nfs/dbraw/zinc/99/36/09/568993609.db2.gz HTBIWVINXKINFT-VWNXMTODSA-N 0 0 449.595 4.979 50 0 IJAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccccc4C)cs3)c2N)cc1Cl ZINC000064948782 568994512 /nfs/dbraw/zinc/99/45/12/568994512.db2.gz QANWTTAYDPYJNF-UHFFFAOYSA-N 0 0 427.917 4.619 50 0 IJAARN O=C(CSc1nc2ccccc2n2cnnc12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000064948881 568994562 /nfs/dbraw/zinc/99/45/62/568994562.db2.gz FBAAUNPHAISQJC-UHFFFAOYSA-N 0 0 437.834 4.681 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000036311286 568997040 /nfs/dbraw/zinc/99/70/40/568997040.db2.gz ILQQPHQGYGTGSX-JOCHJYFZSA-N 0 0 432.008 4.562 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1 ZINC000036312160 568997567 /nfs/dbraw/zinc/99/75/67/568997567.db2.gz YYYQTMKBTMZLOZ-GOSISDBHSA-N 0 0 442.579 4.550 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccs1 ZINC000036312542 568997837 /nfs/dbraw/zinc/99/78/37/568997837.db2.gz AYBIGJNAVLPZEH-UHFFFAOYSA-N 0 0 425.554 4.682 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OC ZINC000064955960 568998687 /nfs/dbraw/zinc/99/86/87/568998687.db2.gz MYBPYCIDMUWKLB-SFHVURJKSA-N 0 0 429.520 4.901 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1OC ZINC000064955862 568998710 /nfs/dbraw/zinc/99/87/10/568998710.db2.gz TZMYKLBZWKGCED-MRXNPFEDSA-N 0 0 433.483 4.732 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000064956499 568998911 /nfs/dbraw/zinc/99/89/11/568998911.db2.gz BLEKADRNXQRTAU-UHFFFAOYSA-N 0 0 439.968 4.952 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccs1 ZINC000036314233 568998922 /nfs/dbraw/zinc/99/89/22/568998922.db2.gz LFJDEBFCZIWDMB-GOSISDBHSA-N 0 0 439.581 4.989 50 0 IJAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4ccc(C(C)C)cc4)c(=O)[nH]c3C2)cc1 ZINC000064959121 568999892 /nfs/dbraw/zinc/99/98/92/568999892.db2.gz GYNAQYLBDWTIJN-SFHVURJKSA-N 0 0 430.504 4.672 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3C)c2C)c(C)o1 ZINC000064967464 569001202 /nfs/dbraw/zinc/00/12/02/569001202.db2.gz LDGNUCRTXGPHJO-UHFFFAOYSA-N 0 0 431.496 4.558 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970847 569076357 /nfs/dbraw/zinc/07/63/57/569076357.db2.gz ILWXRNWIXDNRBE-HXUWFJFHSA-N 0 0 449.942 4.751 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@H](CC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970942 569076386 /nfs/dbraw/zinc/07/63/86/569076386.db2.gz DOHRXXUWDSCTQI-NRFANRHFSA-N 0 0 443.551 4.660 50 0 IJAARN CCCCOCCOC(=O)c1cn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 ZINC000064977326 569077008 /nfs/dbraw/zinc/07/70/08/569077008.db2.gz CFWAFXLTCMGQRK-UHFFFAOYSA-N 0 0 433.426 4.983 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000064976817 569077245 /nfs/dbraw/zinc/07/72/45/569077245.db2.gz GKMLKDWCIKOUMF-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)CCc3ccccc3)cc2=O)s1 ZINC000064976865 569077270 /nfs/dbraw/zinc/07/72/70/569077270.db2.gz GPBYNVDSTVZTGL-UHFFFAOYSA-N 0 0 433.533 4.523 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)nnn5C4CCCC4)no3)CC2=O)cc1C ZINC000064980039 569078248 /nfs/dbraw/zinc/07/82/48/569078248.db2.gz JRBPPWAIXWZSET-SFHVURJKSA-N 0 0 442.523 4.734 50 0 IJAARN CC(C)n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986910 569082465 /nfs/dbraw/zinc/08/24/65/569082465.db2.gz QTEGTXVXEACIKA-UHFFFAOYSA-N 0 0 442.516 4.557 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c(OC)c1 ZINC000064990613 569083384 /nfs/dbraw/zinc/08/33/84/569083384.db2.gz ZYJDFNNWNXKTRH-KRWDZBQOSA-N 0 0 445.519 4.617 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(F)c4)cc32)cc1 ZINC000064990769 569083457 /nfs/dbraw/zinc/08/34/57/569083457.db2.gz WMALLOHFUPTWQO-UHFFFAOYSA-N 0 0 433.483 4.667 50 0 IJAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000036352645 569083807 /nfs/dbraw/zinc/08/38/07/569083807.db2.gz IEEKCWWMIDRGFX-DEOSSOPVSA-N 0 0 433.552 4.843 50 0 IJAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036353101 569083884 /nfs/dbraw/zinc/08/38/84/569083884.db2.gz NYCIPZKQXIZZOU-DEOSSOPVSA-N 0 0 443.522 4.984 50 0 IJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000006837261 569084850 /nfs/dbraw/zinc/08/48/50/569084850.db2.gz PRPPRJCBLUXHET-UHFFFAOYSA-N 0 0 429.568 4.985 50 0 IJAARN CCc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(OC)cc4)s3)c2C)cc1 ZINC000064998610 569085384 /nfs/dbraw/zinc/08/53/84/569085384.db2.gz MGTXJMXEXKXPIY-UHFFFAOYSA-N 0 0 447.564 4.509 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4ccc(Cl)cn4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000441 569085939 /nfs/dbraw/zinc/08/59/39/569085939.db2.gz DDQHBZDXIMAMAF-UHFFFAOYSA-N 0 0 435.911 4.602 50 0 IJAARN O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000064999602 569086154 /nfs/dbraw/zinc/08/61/54/569086154.db2.gz YKFXCTDQECARKE-UHFFFAOYSA-N 0 0 444.553 4.981 50 0 IJAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(-c5ccccc5)c4[C@@H]3c3cccnc3)c2c1 ZINC000036367188 569087322 /nfs/dbraw/zinc/08/73/22/569087322.db2.gz HLHGNKDXPZERQB-SANMLTNESA-N 0 0 449.514 4.750 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1Cl ZINC000065023208 569089167 /nfs/dbraw/zinc/08/91/67/569089167.db2.gz PWUPOEPBMZGUJG-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1Cl ZINC000065023536 569089307 /nfs/dbraw/zinc/08/93/07/569089307.db2.gz YITFGTAOTQLRMT-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN O=C(NCC1CCCCC1)c1cc(COc2ccc(NC(=O)c3ccccc3)cc2)on1 ZINC000065027037 569090174 /nfs/dbraw/zinc/09/01/74/569090174.db2.gz YGNHPGCONMEERI-UHFFFAOYSA-N 0 0 433.508 4.816 50 0 IJAARN NC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000065034014 569091683 /nfs/dbraw/zinc/09/16/83/569091683.db2.gz NCDXEQYUVZNLTL-UHFFFAOYSA-N 0 0 449.869 4.811 50 0 IJAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc(OC)cc3)cc21 ZINC000065033955 569091732 /nfs/dbraw/zinc/09/17/32/569091732.db2.gz XUQVQIUVDZDKNC-UHFFFAOYSA-N 0 0 442.471 4.715 50 0 IJAARN COC(=O)COc1cc(-c2cccc(Cl)c2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034217 569091855 /nfs/dbraw/zinc/09/18/55/569091855.db2.gz WLLMQSORGJFQOQ-UHFFFAOYSA-N 0 0 436.851 4.952 50 0 IJAARN CC[C@H](c1nnc(S[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)n1Cc1ccccc1)N(C)C ZINC000036383519 569092682 /nfs/dbraw/zinc/09/26/82/569092682.db2.gz CMJQKJBYBWXGRB-YOUFYPILSA-N 0 0 443.661 4.609 50 0 IJAARN CCOc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)cc1OCC ZINC000169755778 569093545 /nfs/dbraw/zinc/09/35/45/569093545.db2.gz RUJKHFALRMPXCP-AWEZNQCLSA-N 0 0 445.878 4.847 50 0 IJAARN O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169753376 569093580 /nfs/dbraw/zinc/09/35/80/569093580.db2.gz MFTUHQGUOAZWIC-IBGZPJMESA-N 0 0 433.943 4.539 50 0 IJAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccccc1Br ZINC000169753757 569093744 /nfs/dbraw/zinc/09/37/44/569093744.db2.gz PWVIGAQEBDWILL-OAHLLOKOSA-N 0 0 445.748 4.501 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)cc1OC ZINC000169754693 569093846 /nfs/dbraw/zinc/09/38/46/569093846.db2.gz JJFOSDMFEFRIHQ-INIZCTEOSA-N 0 0 431.851 4.524 50 0 IJAARN Cc1ccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)[C@@H](C)C2)nc3=O)cc1 ZINC000169757210 569093892 /nfs/dbraw/zinc/09/38/92/569093892.db2.gz ZEPVAZHGPGNHOJ-SFHVURJKSA-N 0 0 430.577 4.984 50 0 IJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCOC(C)C)[C@H]1c1cccs1 ZINC000006875880 569095197 /nfs/dbraw/zinc/09/51/97/569095197.db2.gz VZCCDIDMWSEYKB-FGZHOGPDSA-N 0 0 428.598 4.616 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000065058795 569095535 /nfs/dbraw/zinc/09/55/35/569095535.db2.gz ILOUWEMOEHJTRE-QHCPKHFHSA-N 0 0 429.948 4.607 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2C)C1 ZINC000065058688 569095543 /nfs/dbraw/zinc/09/55/43/569095543.db2.gz FNOJCFVAZLHNDD-QHCPKHFHSA-N 0 0 429.948 4.607 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2CC)cc1 ZINC000006878368 569096334 /nfs/dbraw/zinc/09/63/34/569096334.db2.gz ZDTOTDXTFIZTRV-UHFFFAOYSA-N 0 0 445.976 4.693 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1=O ZINC000065062778 569097286 /nfs/dbraw/zinc/09/72/86/569097286.db2.gz RWGWJEHRCCFIAF-LJQANCHMSA-N 0 0 445.563 4.573 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000036391391 569097324 /nfs/dbraw/zinc/09/73/24/569097324.db2.gz KBZYEYWZEWXEET-UHFFFAOYSA-N 0 0 426.563 4.835 50 0 IJAARN C[C@@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)c2cc(C(F)(F)F)ccc2S1 ZINC000036391700 569098028 /nfs/dbraw/zinc/09/80/28/569098028.db2.gz UZIQPNINJDHLNO-OAHLLOKOSA-N 0 0 436.499 4.672 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2N2CCc3ccccc32)NC(C)=O)cc1 ZINC000036392222 569098294 /nfs/dbraw/zinc/09/82/94/569098294.db2.gz CWBRFTFKIODORX-HSZRJFAPSA-N 0 0 429.520 4.595 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(SC)c2)cc1 ZINC000065074940 569099294 /nfs/dbraw/zinc/09/92/94/569099294.db2.gz POIHOOHAKLEZLH-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN Cc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2cc(F)cc(F)c2)cc1 ZINC000065074920 569099329 /nfs/dbraw/zinc/09/93/29/569099329.db2.gz AFRCEJFXTCAEIS-SANMLTNESA-N 0 0 434.486 4.547 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075104 569099417 /nfs/dbraw/zinc/09/94/17/569099417.db2.gz CGBRJHBTADUIQT-AREMUKBSSA-N 0 0 448.950 4.622 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1cccc(Cl)c1 ZINC000065075155 569099481 /nfs/dbraw/zinc/09/94/81/569099481.db2.gz DIUWRNTUSLIXAT-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000065075288 569099537 /nfs/dbraw/zinc/09/95/37/569099537.db2.gz GRRASOYQCFAHGS-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN COc1ccc(NC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1 ZINC000065080193 569101165 /nfs/dbraw/zinc/10/11/65/569101165.db2.gz ANUWOPDKGZNIQC-UHFFFAOYSA-N 0 0 431.423 4.994 50 0 IJAARN Cc1ccccc1-n1nnc(C(=O)NCc2cccc(C(F)(F)F)c2)c1-c1ccncc1 ZINC000065083282 569102206 /nfs/dbraw/zinc/10/22/06/569102206.db2.gz FMESZDQEDKLEGG-UHFFFAOYSA-N 0 0 437.425 4.587 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2ccncc2)c1 ZINC000065083334 569102313 /nfs/dbraw/zinc/10/23/13/569102313.db2.gz AULKRDUULBQSHP-UHFFFAOYSA-N 0 0 431.927 4.518 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCC1CCCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082866 569102468 /nfs/dbraw/zinc/10/24/68/569102468.db2.gz CDPLRTJXHDJFGY-LJQANCHMSA-N 0 0 426.944 4.840 50 0 IJAARN COc1cc(Cl)c(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)c(OC)c1 ZINC000065084860 569102598 /nfs/dbraw/zinc/10/25/98/569102598.db2.gz CCSWJSFYMAACRA-UHFFFAOYSA-N 0 0 426.900 4.645 50 0 IJAARN COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1 ZINC000013114839 569102864 /nfs/dbraw/zinc/10/28/64/569102864.db2.gz ACHPDHCNZKSMEM-UHFFFAOYSA-N 0 0 438.597 4.649 50 0 IJAARN Cc1nc(-c2cccc(-c3noc(CN4C(=O)COc5ccc(Cl)cc54)n3)c2)cs1 ZINC000065098169 569104591 /nfs/dbraw/zinc/10/45/91/569104591.db2.gz ZCPKQCYGQLESES-UHFFFAOYSA-N 0 0 438.896 4.748 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2CC)cc1 ZINC000065099430 569105196 /nfs/dbraw/zinc/10/51/96/569105196.db2.gz DWSVLJQVMKOJGL-UHFFFAOYSA-N 0 0 446.580 4.659 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000169784601 569105202 /nfs/dbraw/zinc/10/52/02/569105202.db2.gz KORHELSOMQNRAK-MYCJTRLLSA-N 0 0 447.579 4.898 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099676 569105259 /nfs/dbraw/zinc/10/52/59/569105259.db2.gz FQIWKGRONCLFCG-UHFFFAOYSA-N 0 0 448.552 4.671 50 0 IJAARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000006906837 569105960 /nfs/dbraw/zinc/10/59/60/569105960.db2.gz YMDBKDBABBPCKT-HSZRJFAPSA-N 0 0 425.554 4.523 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1C ZINC000065111955 569107930 /nfs/dbraw/zinc/10/79/30/569107930.db2.gz NCBDROZLKIVYOP-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000169793388 569108166 /nfs/dbraw/zinc/10/81/66/569108166.db2.gz FQGKJSCTQJZASV-OJYLFOPJSA-N 0 0 444.579 4.705 50 0 IJAARN CSc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)c1 ZINC000065113421 569108393 /nfs/dbraw/zinc/10/83/93/569108393.db2.gz WVTJYXYIVYODAG-UHFFFAOYSA-N 0 0 430.533 4.561 50 0 IJAARN O=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)Nc1ccc(Cl)cc1F ZINC000065113452 569108459 /nfs/dbraw/zinc/10/84/59/569108459.db2.gz QUIIWMSFNHIUGY-UHFFFAOYSA-N 0 0 436.874 4.631 50 0 IJAARN Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134158 569110143 /nfs/dbraw/zinc/11/01/43/569110143.db2.gz RATUFZDUQVKNQU-MRXNPFEDSA-N 0 0 443.469 4.987 50 0 IJAARN Cc1cccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000065151253 569111734 /nfs/dbraw/zinc/11/17/34/569111734.db2.gz XZHJLIPVCHZHNT-UHFFFAOYSA-N 0 0 432.593 4.975 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165605 569112940 /nfs/dbraw/zinc/11/29/40/569112940.db2.gz QFFANJDSOBDQAL-UHFFFAOYSA-N 0 0 430.986 4.972 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3c(F)cccc3F)CC2)cc1)N1CCCCC1 ZINC000065179767 569113660 /nfs/dbraw/zinc/11/36/60/569113660.db2.gz GHVHAEOAQBVJSX-UHFFFAOYSA-N 0 0 442.506 4.522 50 0 IJAARN Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4ccc(F)cc4Cl)CC3)n2)c1 ZINC000065184132 569113966 /nfs/dbraw/zinc/11/39/66/569113966.db2.gz ONDRZVQCBTVMFV-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3ccc(C)c(C)c3)cccn12 ZINC000065185240 569114198 /nfs/dbraw/zinc/11/41/98/569114198.db2.gz OFGWYZSORCKZPU-UHFFFAOYSA-N 0 0 448.592 4.921 50 0 IJAARN CCc1ccc(N(Cc2cc(C)ccc2C)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000065185289 569114311 /nfs/dbraw/zinc/11/43/11/569114311.db2.gz MJCMVXIDCCUBBH-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1)N1CCCCC1 ZINC000065178478 569114415 /nfs/dbraw/zinc/11/44/15/569114415.db2.gz UVZYSKKEISLABZ-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(Br)cc1F ZINC000065185781 569114599 /nfs/dbraw/zinc/11/45/99/569114599.db2.gz PWXCREBDUMLNET-UHFFFAOYSA-N 0 0 449.305 4.641 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4ccccc4F)C3)cc2)CC1 ZINC000065178962 569114643 /nfs/dbraw/zinc/11/46/43/569114643.db2.gz DMQWVMMYHWQZEU-FQEVSTJZSA-N 0 0 438.543 4.629 50 0 IJAARN CCc1nn2c(nc(-c3ccccc3)c2CNC(=O)c2cccc(Br)c2)s1 ZINC000065217811 569117167 /nfs/dbraw/zinc/11/71/67/569117167.db2.gz FMJGHHUECWQXLZ-UHFFFAOYSA-N 0 0 441.354 4.713 50 0 IJAARN CC(C)n1nc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c2ccccc21 ZINC000065219794 569117225 /nfs/dbraw/zinc/11/72/25/569117225.db2.gz VXUDTIVTMVOXLH-UHFFFAOYSA-N 0 0 447.560 4.521 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c(OC)c1 ZINC000065241439 569120929 /nfs/dbraw/zinc/12/09/29/569120929.db2.gz IKVDLRXPXMQXAD-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN Cc1nn([C@H](C)CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)c1Cl ZINC000036612489 569123761 /nfs/dbraw/zinc/12/37/61/569123761.db2.gz SOWKNLSVPOBMSQ-SNVBAGLBSA-N 0 0 441.841 4.603 50 0 IJAARN Clc1ccccc1N1CCN(c2nnc(-c3nnc(C4CCC4)o3)c3ccccc32)CC1 ZINC000065258235 569124340 /nfs/dbraw/zinc/12/43/40/569124340.db2.gz UTLCFDXPUPWDGY-UHFFFAOYSA-N 0 0 446.942 4.927 50 0 IJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1ccc(C(F)(F)F)cc1 ZINC000065272506 569129117 /nfs/dbraw/zinc/12/91/17/569129117.db2.gz ICMZXBNGFZBZTC-UHFFFAOYSA-N 0 0 426.398 4.799 50 0 IJAARN CCC(CC)C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccc(C)cc2)CC1 ZINC000065299762 569132118 /nfs/dbraw/zinc/13/21/18/569132118.db2.gz XRZNJCBWSNGINB-UHFFFAOYSA-N 0 0 425.602 4.620 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4cccs4)CC3)sc12 ZINC000065299748 569132157 /nfs/dbraw/zinc/13/21/57/569132157.db2.gz QDWLDGXKFBEQQZ-UHFFFAOYSA-N 0 0 437.594 4.559 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N[C@@H](C)c4ccc(F)cc4)sc32)cc1 ZINC000065306759 569133506 /nfs/dbraw/zinc/13/35/06/569133506.db2.gz VEQOJTUPQWPGTH-AWEZNQCLSA-N 0 0 438.528 4.792 50 0 IJAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000065315597 569134199 /nfs/dbraw/zinc/13/41/99/569134199.db2.gz SLNYETHSNRCBIZ-UHFFFAOYSA-N 0 0 434.496 4.655 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065320727 569136277 /nfs/dbraw/zinc/13/62/77/569136277.db2.gz OUMJZOKTKFGBQD-IBGZPJMESA-N 0 0 429.517 4.699 50 0 IJAARN COC(=O)c1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2Br)cc1 ZINC000065323367 569136884 /nfs/dbraw/zinc/13/68/84/569136884.db2.gz DLXFWFIXZFMPIU-UHFFFAOYSA-N 0 0 437.297 4.997 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)Nc1nccs1 ZINC000036859616 569138604 /nfs/dbraw/zinc/13/86/04/569138604.db2.gz XWQQBFXZUPOMFU-UHFFFAOYSA-N 0 0 441.969 4.834 50 0 IJAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000065504262 569138967 /nfs/dbraw/zinc/13/89/67/569138967.db2.gz WUJQSVYEKKEPFF-GFCCVEGCSA-N 0 0 443.878 4.921 50 0 IJAARN CCN(Cc1ccccc1)C(=O)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(F)cc1 ZINC000170610682 569145018 /nfs/dbraw/zinc/14/50/18/569145018.db2.gz PRMBPGKGBXYSRU-UHFFFAOYSA-N 0 0 435.524 4.690 50 0 IJAARN COCCN(CCC(=O)Nc1ccccc1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000037285139 569145928 /nfs/dbraw/zinc/14/59/28/569145928.db2.gz SUPOPOKJBKGHJK-UHFFFAOYSA-N 0 0 426.520 4.778 50 0 IJAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(C)c3)C2)c1 ZINC000170615198 569146624 /nfs/dbraw/zinc/14/66/24/569146624.db2.gz CWLYWHIVUNVCAX-DEOSSOPVSA-N 0 0 436.533 4.552 50 0 IJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000170621178 569147565 /nfs/dbraw/zinc/14/75/65/569147565.db2.gz KCIHHYYDCRDIMW-CPJSRVTESA-N 0 0 431.492 4.740 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000170621220 569147649 /nfs/dbraw/zinc/14/76/49/569147649.db2.gz HVEKWAZAOJJQHM-FUHWJXTLSA-N 0 0 429.954 4.505 50 0 IJAARN O=C(Oc1ccccc1)N1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000170624919 569148136 /nfs/dbraw/zinc/14/81/36/569148136.db2.gz RIJQGLZELKUMSE-ROUUACIJSA-N 0 0 433.335 4.830 50 0 IJAARN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000170629129 569148879 /nfs/dbraw/zinc/14/88/79/569148879.db2.gz YDNCIVMAPTWPIY-DLBZAZTESA-N 0 0 430.474 4.956 50 0 IJAARN CC(C)n1ncc2cc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cnc21 ZINC000009910309 569150450 /nfs/dbraw/zinc/15/04/50/569150450.db2.gz MRSAOUNXNLHEFM-UHFFFAOYSA-N 0 0 447.564 4.830 50 0 IJAARN COc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)ccc2OC)cc1 ZINC000010027866 569151801 /nfs/dbraw/zinc/15/18/01/569151801.db2.gz NEYJBQCHPXWMHX-NQIIRXRSSA-N 0 0 444.531 4.919 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000010036940 569151904 /nfs/dbraw/zinc/15/19/04/569151904.db2.gz WSPXTLNBPSZZAV-UHFFFAOYSA-N 0 0 444.535 4.598 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000010119420 569152719 /nfs/dbraw/zinc/15/27/19/569152719.db2.gz ZRSVVMIIVNKWLJ-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)c1 ZINC000010220838 569153066 /nfs/dbraw/zinc/15/30/66/569153066.db2.gz DBIDYKGXAWIJLF-UHFFFAOYSA-N 0 0 438.534 4.501 50 0 IJAARN Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)sc2cccc(F)c12 ZINC000010217108 569153284 /nfs/dbraw/zinc/15/32/84/569153284.db2.gz KELOQYYBZHPONE-UHFFFAOYSA-N 0 0 440.496 4.568 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000010218370 569153517 /nfs/dbraw/zinc/15/35/17/569153517.db2.gz UNCSYIOVTCBHHE-UHFFFAOYSA-N 0 0 429.350 4.796 50 0 IJAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000010219565 569153714 /nfs/dbraw/zinc/15/37/14/569153714.db2.gz OQYFYKHVIRWRPQ-UHFFFAOYSA-N 0 0 430.551 4.957 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2ccc(F)cc2)cc1=O ZINC000010255059 569153939 /nfs/dbraw/zinc/15/39/39/569153939.db2.gz QHWUQRLFGREVOV-UHFFFAOYSA-N 0 0 426.513 4.544 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nc(C)cs2)cc1=O ZINC000010254644 569154200 /nfs/dbraw/zinc/15/42/00/569154200.db2.gz JTYIBKICDXEJAU-UHFFFAOYSA-N 0 0 449.985 4.515 50 0 IJAARN O=C(OCc1ccc(-c2ccccc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000014424244 569159067 /nfs/dbraw/zinc/15/90/67/569159067.db2.gz APKQJUZRVXJIJV-UHFFFAOYSA-N 0 0 441.574 4.559 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)c1 ZINC000014498032 569159123 /nfs/dbraw/zinc/15/91/23/569159123.db2.gz PSLMXWLLBXLJQT-UHFFFAOYSA-N 0 0 436.558 4.589 50 0 IJAARN COc1cccc([C@H]2CC(c3ccsc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000089638866 569160243 /nfs/dbraw/zinc/16/02/43/569160243.db2.gz QHRIQWZIGJBOQP-HXUWFJFHSA-N 0 0 442.562 4.614 50 0 IJAARN CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014663605 569161259 /nfs/dbraw/zinc/16/12/59/569161259.db2.gz ROGFJZMJIIFIAZ-UHFFFAOYSA-N 0 0 449.016 4.813 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O ZINC000016840369 569163164 /nfs/dbraw/zinc/16/31/64/569163164.db2.gz PEUPGTNDGCRIAW-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN COc1ccc(Br)cc1-c1nc(CSc2nc(C)c(C)c(=O)[nH]2)c(C)o1 ZINC000016841324 569163269 /nfs/dbraw/zinc/16/32/69/569163269.db2.gz FIVWPCLFBMYJJG-UHFFFAOYSA-N 0 0 436.331 4.826 50 0 IJAARN O=c1c2sccc2nc(SCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000016842953 569163454 /nfs/dbraw/zinc/16/34/54/569163454.db2.gz PRUJAMDLOBGFSJ-UHFFFAOYSA-N 0 0 436.493 4.929 50 0 IJAARN Cc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000016842264 569163499 /nfs/dbraw/zinc/16/34/99/569163499.db2.gz YIMLZVFJBMCQBQ-UHFFFAOYSA-N 0 0 435.402 4.716 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C ZINC000016843187 569163540 /nfs/dbraw/zinc/16/35/40/569163540.db2.gz CODLHOFFIJGSFZ-UHFFFAOYSA-N 0 0 440.862 4.997 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)nc2c(sc3cccc(F)c32)c1=O ZINC000016843788 569163708 /nfs/dbraw/zinc/16/37/08/569163708.db2.gz JUJMFJAFKJZSDW-UHFFFAOYSA-N 0 0 445.903 4.668 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OCC)c3c2)CC1 ZINC000016846973 569163878 /nfs/dbraw/zinc/16/38/78/569163878.db2.gz ORUUIIQNYZOWQN-UHFFFAOYSA-N 0 0 447.535 4.523 50 0 IJAARN CC(=O)O[C@@H](COc1ccc(N(C)C(C)=O)cc1)Cn1c2ccccc2c2ccccc21 ZINC000016890338 569165487 /nfs/dbraw/zinc/16/54/87/569165487.db2.gz OIOSADXFLGHWFY-JOCHJYFZSA-N 0 0 430.504 4.788 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891288 569165729 /nfs/dbraw/zinc/16/57/29/569165729.db2.gz BCFJHHKVTVDGLP-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891347 569165753 /nfs/dbraw/zinc/16/57/53/569165753.db2.gz ZMJSYKCAJITWCN-HRAATJIYSA-N 0 0 429.586 4.631 50 0 IJAARN C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891216 569165813 /nfs/dbraw/zinc/16/58/13/569165813.db2.gz SGWJIDQWSNWDNV-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000016931034 569166664 /nfs/dbraw/zinc/16/66/64/569166664.db2.gz SKPFGARUFCSHDX-VXGBXAGGSA-N 0 0 426.307 4.639 50 0 IJAARN COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000016954641 569167650 /nfs/dbraw/zinc/16/76/50/569167650.db2.gz IDZSVKMXSLRJGZ-UHFFFAOYSA-N 0 0 426.885 4.854 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000017013096 569170838 /nfs/dbraw/zinc/17/08/38/569170838.db2.gz ZZACIAQHWACRNR-UHFFFAOYSA-N 0 0 431.540 4.709 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CC1 ZINC000037356504 569172167 /nfs/dbraw/zinc/17/21/67/569172167.db2.gz KSLZNLGNGAILHQ-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)C4CCCCC4)[C@@H](C)C3)ncn2)c1 ZINC000037357359 569173930 /nfs/dbraw/zinc/17/39/30/569173930.db2.gz PBSGWMNEXDWHSD-KRWDZBQOSA-N 0 0 428.964 4.848 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000017155986 569175109 /nfs/dbraw/zinc/17/51/09/569175109.db2.gz NQSKLNCYRLUQIK-UHFFFAOYSA-N 0 0 445.324 4.668 50 0 IJAARN NC(=O)C1CCN(c2ccc3cccc(OCc4ccc(C(F)(F)F)cc4)c3n2)CC1 ZINC000017170668 569175315 /nfs/dbraw/zinc/17/53/15/569175315.db2.gz OBWBRHNTMAYPEG-UHFFFAOYSA-N 0 0 429.442 4.534 50 0 IJAARN CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000000916102 569176334 /nfs/dbraw/zinc/17/63/34/569176334.db2.gz NMPYNQVINKWWAJ-UHFFFAOYSA-N 0 0 431.945 4.822 50 0 IJAARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F ZINC000001121672 569176817 /nfs/dbraw/zinc/17/68/17/569176817.db2.gz LGUZGDPPWUTEJO-UHFFFAOYSA-N 0 0 430.220 4.930 50 0 IJAARN CCOC(=O)[C@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cccc(OC)c1 ZINC000017268682 569176845 /nfs/dbraw/zinc/17/68/45/569176845.db2.gz RHLPCLLLRUCFRI-FQEVSTJZSA-N 0 0 436.537 4.858 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc2cc(O)ccc21 ZINC000002875823 569177604 /nfs/dbraw/zinc/17/76/04/569177604.db2.gz VKKXNRYWECBHKN-UHFFFAOYSA-N 0 0 445.338 4.752 50 0 IJAARN O=C1CN(CCC2=CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002092607 569178859 /nfs/dbraw/zinc/17/88/59/569178859.db2.gz KXGJTPOHAWXRTK-IGKIAQTJSA-N 0 0 439.559 4.743 50 0 biogenic IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)ccc12 ZINC000002095859 569179227 /nfs/dbraw/zinc/17/92/27/569179227.db2.gz HVKPZSTWAJEFSZ-KRWDZBQOSA-N 0 0 449.569 4.606 50 0 biogenic IJAARN CC[C@@H](C)N1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002097266 569179452 /nfs/dbraw/zinc/17/94/52/569179452.db2.gz XDBHFLWZLDVQGE-BPKZHXITSA-N 0 0 429.564 4.775 50 0 biogenic IJAARN O=C1CN(C2CCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc4ccccc43)N12 ZINC000002101723 569180011 /nfs/dbraw/zinc/18/00/11/569180011.db2.gz NSFYPVTUDLIEBT-LBNVMWSVSA-N 0 0 449.554 4.949 50 0 biogenic IJAARN COc1ccc(NCc2ccc(-c3ccccc3Br)s2)cc1OCC(N)=O ZINC000237346747 569180041 /nfs/dbraw/zinc/18/00/41/569180041.db2.gz PDZRRXVFMJJNAE-UHFFFAOYSA-N 0 0 447.354 4.662 50 0 IJAARN COc1cccc(Oc2coc3cc(OC(=O)c4c(OC)cccc4OC)ccc3c2=O)c1 ZINC000002104748 569180198 /nfs/dbraw/zinc/18/01/98/569180198.db2.gz ZDKPKMDDQWBXJU-UHFFFAOYSA-N 0 0 448.427 4.830 50 0 biogenic IJAARN CCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433547 569183146 /nfs/dbraw/zinc/18/31/46/569183146.db2.gz UQHGWJZCLJKYGJ-VXKWHMMOSA-N 0 0 426.582 4.514 50 0 IJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O)c1ccc(F)cc1 ZINC000002128822 569184165 /nfs/dbraw/zinc/18/41/65/569184165.db2.gz TUOHYBOTAWMJRO-UHFFFAOYSA-N 0 0 442.398 4.967 50 0 biogenic IJAARN Cc1c2ccc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000002151923 569187307 /nfs/dbraw/zinc/18/73/07/569187307.db2.gz LDRAXLUYUCTCSF-INIZCTEOSA-N 0 0 437.492 4.511 50 0 biogenic IJAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)C1=O ZINC000002153727 569187391 /nfs/dbraw/zinc/18/73/91/569187391.db2.gz MFKUYGGSTLGCGH-OZXSUGGESA-N 0 0 429.564 4.742 50 0 biogenic IJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(Br)cc3)C(C)C)n2)cc1 ZINC000252507405 569188202 /nfs/dbraw/zinc/18/82/02/569188202.db2.gz WKLKQYZGSKHHCY-KRWDZBQOSA-N 0 0 430.302 4.635 50 0 IJAARN COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2ccc(C(C)=O)cc2)[C@H]1c1ccccc1 ZINC000239347222 569188718 /nfs/dbraw/zinc/18/87/18/569188718.db2.gz MLSOATJMJZPCMT-OQQNJPJOSA-N 0 0 428.484 4.781 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1OC ZINC000002193315 569190777 /nfs/dbraw/zinc/19/07/77/569190777.db2.gz RVVBHRKBLWIERV-UHFFFAOYSA-N 0 0 446.507 4.663 50 0 IJAARN CCCN(CC1CC1)C(=O)/C=C1/Sc2ccccc2N(Cc2cccc(OC)c2)C1=O ZINC000037382372 569191887 /nfs/dbraw/zinc/19/18/87/569191887.db2.gz KIQVVFPYUGHJFJ-HZHRSRAPSA-N 0 0 436.577 4.867 50 0 IJAARN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000037385092 569192257 /nfs/dbraw/zinc/19/22/57/569192257.db2.gz OPPBXSNVGIGXEF-UHFFFAOYSA-N 0 0 447.495 4.895 50 0 IJAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@@H](C)C(=O)NCCc3ccccn3)c2cc1C ZINC000037397137 569193097 /nfs/dbraw/zinc/19/30/97/569193097.db2.gz LNGRUDYEJXKYAM-IBGZPJMESA-N 0 0 430.527 4.698 50 0 IJAARN C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1c2ccccc2nc1Cc1ccccc1 ZINC000037397859 569193767 /nfs/dbraw/zinc/19/37/67/569193767.db2.gz DBVWGVVEYZYJLH-HXUWFJFHSA-N 0 0 442.538 4.676 50 0 IJAARN COCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037439074 569196413 /nfs/dbraw/zinc/19/64/13/569196413.db2.gz NBIJWSYWCZVVME-SFHVURJKSA-N 0 0 440.849 4.527 50 0 IJAARN CCNC(=O)N(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441337 569196741 /nfs/dbraw/zinc/19/67/41/569196741.db2.gz QNAWJWJPIALURW-QGZVFWFLSA-N 0 0 436.339 4.727 50 0 IJAARN CC(C)[C@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037524063 569198449 /nfs/dbraw/zinc/19/84/49/569198449.db2.gz HJAHWJLNOPRZFQ-KRWDZBQOSA-N 0 0 427.976 4.513 50 0 IJAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000037526351 569199098 /nfs/dbraw/zinc/19/90/98/569199098.db2.gz KVJYQUZKPCSFSI-QHCPKHFHSA-N 0 0 448.611 4.561 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sccc3n2Cc2cccc(Cl)c2)C1 ZINC000037526559 569199208 /nfs/dbraw/zinc/19/92/08/569199208.db2.gz UPRZSQKPMZGCLI-MRXNPFEDSA-N 0 0 430.957 4.820 50 0 IJAARN COc1ccccc1Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2sccc21 ZINC000037541465 569199304 /nfs/dbraw/zinc/19/93/04/569199304.db2.gz UYVKRZNJPBFGPO-UHFFFAOYSA-N 0 0 445.588 4.718 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)N1CCSCC1 ZINC000037547232 569200027 /nfs/dbraw/zinc/20/00/27/569200027.db2.gz ZARKLCQUAUVSRZ-UHFFFAOYSA-N 0 0 439.556 4.929 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000037571336 569201222 /nfs/dbraw/zinc/20/12/22/569201222.db2.gz HGKHIEWVDVFDLV-AWEZNQCLSA-N 0 0 431.241 4.682 50 0 IJAARN O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037570692 569201245 /nfs/dbraw/zinc/20/12/45/569201245.db2.gz JZOFYZPTZXLMQX-UHFFFAOYSA-N 0 0 442.531 4.825 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCCc2ccccc2)c1 ZINC000037600578 569202352 /nfs/dbraw/zinc/20/23/52/569202352.db2.gz JNRCODLELDHYSF-UHFFFAOYSA-N 0 0 447.554 4.852 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000002214755 569202799 /nfs/dbraw/zinc/20/27/99/569202799.db2.gz JQMWBCJTMYGKCL-UHFFFAOYSA-N 0 0 449.931 4.991 50 0 IJAARN CC(C)CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)C)CC2 ZINC000037604726 569202815 /nfs/dbraw/zinc/20/28/15/569202815.db2.gz OIIDDNLUWUNOSH-NBGIEHNGSA-N 0 0 436.596 4.746 50 0 IJAARN O=c1c(=Cc2cn(Cc3ccccc3F)c3ccccc23)sc2nc3ccccc3n12 ZINC000252666057 569209564 /nfs/dbraw/zinc/20/95/64/569209564.db2.gz AJGRVQAOKPSSLF-UHFFFAOYSA-N 0 0 425.488 4.599 50 0 IJAARN CCO[C@@H](C)c1noc(CN2CCC[C@H]2c2nc(-c3ccccc3C(F)(F)F)c[nH]2)n1 ZINC000252674233 569210166 /nfs/dbraw/zinc/21/01/66/569210166.db2.gz RVKRKRSPEZAAIH-GUYCJALGSA-N 0 0 435.450 4.913 50 0 IJAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2Cl)CCO1 ZINC000002235468 569212135 /nfs/dbraw/zinc/21/21/35/569212135.db2.gz TYGWRLZAQLXBAN-BDJLRTHQSA-N 0 0 442.368 4.800 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000925307 569212239 /nfs/dbraw/zinc/21/22/39/569212239.db2.gz UEEAEQBZKMQHRR-UHFFFAOYSA-N 0 0 443.985 4.910 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691228 569212647 /nfs/dbraw/zinc/21/26/47/569212647.db2.gz UFBHRPMMKJOYOF-UHFFFAOYSA-N 0 0 445.490 5.000 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)cc(C(=O)c1ccc(F)cc1)c2=O ZINC000002691224 569212653 /nfs/dbraw/zinc/21/26/53/569212653.db2.gz TUFGHSYDIOBWOY-UHFFFAOYSA-N 0 0 435.426 4.576 50 0 IJAARN CCCSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 ZINC000002252578 569214224 /nfs/dbraw/zinc/21/42/24/569214224.db2.gz LLZFZKUSRGUNAK-UHFFFAOYSA-N 0 0 436.318 4.552 50 0 IJAARN COc1ccc(CNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002246232 569214359 /nfs/dbraw/zinc/21/43/59/569214359.db2.gz RMRRDYYYXXQGGL-UHFFFAOYSA-N 0 0 429.524 4.611 50 0 IJAARN CC(C)COC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000002259580 569215515 /nfs/dbraw/zinc/21/55/15/569215515.db2.gz JTXXESPWUXTHJA-UHFFFAOYSA-N 0 0 439.313 4.731 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(N1CCCCC1)O2 ZINC000002270460 569217139 /nfs/dbraw/zinc/21/71/39/569217139.db2.gz DLSZNADSRWMZGT-UHFFFAOYSA-N 0 0 432.368 4.735 50 0 IJAARN O=S(=O)(Nc1ccc(I)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000888016 569263005 /nfs/dbraw/zinc/26/30/05/569263005.db2.gz XKXPVQQPDNKHHR-UHFFFAOYSA-N 0 0 435.286 4.759 50 0 IJAARN CCCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000027527354 569263113 /nfs/dbraw/zinc/26/31/13/569263113.db2.gz BLFIBJNWDSAZKJ-UHFFFAOYSA-N 0 0 427.504 4.935 50 0 IJAARN O=C(Nn1c(=O)c2ccccc2nc1C1CCCCC1)c1ccc(Br)cc1 ZINC000027528058 569263484 /nfs/dbraw/zinc/26/34/84/569263484.db2.gz QSHXHESEAFGCFL-UHFFFAOYSA-N 0 0 426.314 4.591 50 0 IJAARN CCCC1CCC(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000027528407 569263585 /nfs/dbraw/zinc/26/35/85/569263585.db2.gz BUJODLYHUAWTHI-UHFFFAOYSA-N 0 0 449.551 4.757 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccccc4)C32)c(OC)c1 ZINC000002285949 569264023 /nfs/dbraw/zinc/26/40/23/569264023.db2.gz ZJXADUIYZQHNDH-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc(CCn2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002290700 569267915 /nfs/dbraw/zinc/26/79/15/569267915.db2.gz JAJRUSSFLOLBMM-UHFFFAOYSA-N 0 0 437.503 4.670 50 0 IJAARN CCOC(=O)[C@](NC(=O)Nc1ccc(F)c(Cl)c1)(Oc1ccccc1)C(F)(F)F ZINC000002311906 569273022 /nfs/dbraw/zinc/27/30/22/569273022.db2.gz FYVKPOGJZCBRBO-KRWDZBQOSA-N 0 0 434.773 4.501 50 0 IJAARN Cc1ccc(C)c(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2Br)c1 ZINC000027572332 569273701 /nfs/dbraw/zinc/27/37/01/569273701.db2.gz MPWFEFBVXHANCI-LJQANCHMSA-N 0 0 436.689 4.668 50 0 IJAARN COc1ccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3N3CCCCC3)C(=O)O2)cc1 ZINC000027572930 569273710 /nfs/dbraw/zinc/27/37/10/569273710.db2.gz AYAAJVZXAJXHQX-XQNSMLJCSA-N 0 0 427.504 4.887 50 0 IJAARN CCCn1c(SCC(=O)OCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002335883 569274777 /nfs/dbraw/zinc/27/47/77/569274777.db2.gz YVJFVYYCENXVEJ-UHFFFAOYSA-N 0 0 426.582 4.734 50 0 biogenic IJAARN Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H]3CCCc4c5cc(F)ccc5[nH]c43)c(=O)oc12 ZINC000252488425 569287966 /nfs/dbraw/zinc/28/79/66/569287966.db2.gz IRQUGDVLCARSNJ-NRFANRHFSA-N 0 0 448.494 4.862 50 0 IJAARN COCCn1ccc2c1cccc2C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252499651 569288008 /nfs/dbraw/zinc/28/80/08/569288008.db2.gz SDMDFPGEPLGZDE-DEOSSOPVSA-N 0 0 438.531 4.878 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)c(Cl)cc12 ZINC000002369310 569288835 /nfs/dbraw/zinc/28/88/35/569288835.db2.gz DYZIGVLCWNDFCB-FQEVSTJZSA-N 0 0 443.883 4.926 50 0 IJAARN COc1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000002376520 569289433 /nfs/dbraw/zinc/28/94/33/569289433.db2.gz YMOBXJJLYXBYPI-DJUQAAIZSA-N 0 0 433.485 4.714 50 0 IJAARN O=c1c2c3c(sc2n(CCc2ccccc2)c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000002379012 569289710 /nfs/dbraw/zinc/28/97/10/569289710.db2.gz SYZXZOMJAMZGDV-UHFFFAOYSA-N 0 0 436.964 4.989 50 0 IJAARN O=c1c2ccccc2nc(CS(=O)(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000008925798 569292471 /nfs/dbraw/zinc/29/24/71/569292471.db2.gz MGFFLFIMECMQQZ-UHFFFAOYSA-N 0 0 445.327 4.666 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2OC)cc1 ZINC000002390106 569296264 /nfs/dbraw/zinc/29/62/64/569296264.db2.gz REUMXLMRZXDWRR-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000027755624 569296829 /nfs/dbraw/zinc/29/68/29/569296829.db2.gz RZPSHPQYMZMWHA-LBPRGKRZSA-N 0 0 444.361 4.631 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)s1 ZINC000002398220 569298637 /nfs/dbraw/zinc/29/86/37/569298637.db2.gz BWJWVWSAKYULDZ-SFHVURJKSA-N 0 0 437.908 4.919 50 0 IJAARN COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccc(C)cc2)S1 ZINC000002404591 569300026 /nfs/dbraw/zinc/30/00/26/569300026.db2.gz QUMRGUMSXLLHFN-QFIPXVFZSA-N 0 0 439.562 4.720 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)n1 ZINC000027809665 569300649 /nfs/dbraw/zinc/30/06/49/569300649.db2.gz GKPJLOMRNBJBND-GFCCVEGCSA-N 0 0 430.917 4.880 50 0 IJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1I ZINC000002880402 569301804 /nfs/dbraw/zinc/30/18/04/569301804.db2.gz LRUYJRSACJXDME-AUWJEWJLSA-N 0 0 444.055 4.943 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(N)n([C@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002430607 569303230 /nfs/dbraw/zinc/30/32/30/569303230.db2.gz PKFZBCHGQBUTGX-QGZVFWFLSA-N 0 0 442.544 4.917 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000002444829 569304384 /nfs/dbraw/zinc/30/43/84/569304384.db2.gz KGFZWEDPHYAEHI-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012957704 569305271 /nfs/dbraw/zinc/30/52/71/569305271.db2.gz JWVDVMBFXNWENQ-UHFFFAOYSA-N 0 0 428.439 4.889 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000012985581 569305841 /nfs/dbraw/zinc/30/58/41/569305841.db2.gz SHXGFIDGRAEXHC-KRWDZBQOSA-N 0 0 444.578 4.596 50 0 IJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012993936 569306088 /nfs/dbraw/zinc/30/60/88/569306088.db2.gz GIIHPLMMNKAOES-QHHAFSJGSA-N 0 0 447.318 4.613 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000013004095 569306263 /nfs/dbraw/zinc/30/62/63/569306263.db2.gz YLALLXAHOSIZOL-UHFFFAOYSA-N 0 0 438.915 4.625 50 0 IJAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2)c1 ZINC000013039097 569307903 /nfs/dbraw/zinc/30/79/03/569307903.db2.gz XTBNFVXBVCMQSI-UHFFFAOYSA-N 0 0 437.517 4.662 50 0 IJAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000013072680 569309120 /nfs/dbraw/zinc/30/91/20/569309120.db2.gz LMKJXEGZBKGWPL-KRWDZBQOSA-N 0 0 435.351 4.870 50 0 IJAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@H](C)C3 ZINC000013115866 569310934 /nfs/dbraw/zinc/31/09/34/569310934.db2.gz XSXPCAHBBMDPIO-DZGCQCFKSA-N 0 0 442.606 4.842 50 0 IJAARN CCc1sc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)nc1-c1ccc2c(c1)CCCC2 ZINC000013363484 569314080 /nfs/dbraw/zinc/31/40/80/569314080.db2.gz ZBHXWANWSTWHEQ-UHFFFAOYSA-N 0 0 447.560 4.711 50 0 IJAARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C(C(=O)OCC)C(C)=N2 ZINC000013363383 569314134 /nfs/dbraw/zinc/31/41/34/569314134.db2.gz QRODONDRBGOCRA-LJQANCHMSA-N 0 0 430.574 4.811 50 0 IJAARN COc1ccc2oc([C@@H](C)NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)c(C)c2c1 ZINC000078605402 569316453 /nfs/dbraw/zinc/31/64/53/569316453.db2.gz GOYXUYISJTYMJY-SZNDQCEHSA-N 0 0 430.451 4.872 50 0 IJAARN COc1ccccc1[C@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078729645 569318701 /nfs/dbraw/zinc/31/87/01/569318701.db2.gz FRBXVHPTVVPPBX-DNQXCXABSA-N 0 0 444.531 4.513 50 0 IJAARN COc1cccc(NCc2nnc(SCCCc3nc(C)no3)n2C2CCCCC2)c1 ZINC000078879610 569319976 /nfs/dbraw/zinc/31/99/76/569319976.db2.gz DEVYPCXSNNIFIJ-UHFFFAOYSA-N 0 0 442.589 4.820 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000079111224 569326217 /nfs/dbraw/zinc/32/62/17/569326217.db2.gz IXHGEIZFJPZCPW-FQEVSTJZSA-N 0 0 428.492 4.567 50 0 IJAARN CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccccc4Cl)sc3C)cc21 ZINC000019796519 569329569 /nfs/dbraw/zinc/32/95/69/569329569.db2.gz QJQIGZZBMUTBJP-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CCCCN1CCn2c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3nc2C1 ZINC000019855406 569330532 /nfs/dbraw/zinc/33/05/32/569330532.db2.gz XJLALECNXIRBLM-UHFFFAOYSA-N 0 0 426.948 4.631 50 0 IJAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)o2)c1 ZINC000020069222 569333139 /nfs/dbraw/zinc/33/31/39/569333139.db2.gz ZNFNQCQKSRPJFM-UHFFFAOYSA-N 0 0 426.538 4.728 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000020069401 569333281 /nfs/dbraw/zinc/33/32/81/569333281.db2.gz CPYKMTIQNOEBAF-ROUUACIJSA-N 0 0 436.581 4.591 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000020115882 569335014 /nfs/dbraw/zinc/33/50/14/569335014.db2.gz VNCJJNANIPHQDN-PMACEKPBSA-N 0 0 426.925 4.959 50 0 IJAARN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000020154105 569353542 /nfs/dbraw/zinc/35/35/42/569353542.db2.gz JTQYDODXLMMPFF-RPWUZVMVSA-N 0 0 427.479 4.867 50 0 IJAARN O=C(N1CC[C@@H](c2cccs2)S(=O)(=O)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000390828407 569353950 /nfs/dbraw/zinc/35/39/50/569353950.db2.gz AWMIQSNRNZJLHV-IBGZPJMESA-N 0 0 438.014 4.602 50 0 IJAARN CC1CCC(NC(=O)CN2C(=O)/C(=C/c3c(F)cccc3Cl)Oc3ccccc32)CC1 ZINC000020180868 569355210 /nfs/dbraw/zinc/35/52/10/569355210.db2.gz ADXLEUZPNCPVHC-XKZIYDEJSA-N 0 0 442.918 4.941 50 0 IJAARN CC(C)OCCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181054 569355265 /nfs/dbraw/zinc/35/52/65/569355265.db2.gz MYECIFNDOOGMRO-KGENOOAVSA-N 0 0 444.984 4.751 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCc1ccccn1 ZINC000020181433 569355313 /nfs/dbraw/zinc/35/53/13/569355313.db2.gz ZZVKEEHVINVBPK-FYJGNVAPSA-N 0 0 435.936 4.531 50 0 IJAARN COc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000020241837 569358033 /nfs/dbraw/zinc/35/80/33/569358033.db2.gz VDZNAOUMJMAPGC-OAQYLSRUSA-N 0 0 429.564 4.508 50 0 IJAARN Cc1nn2c(nc(C)cc2N2CCC(C(=O)N3CCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000020280026 569358626 /nfs/dbraw/zinc/35/86/26/569358626.db2.gz DKDKKLVZQMYXCQ-UHFFFAOYSA-N 0 0 437.975 4.505 50 0 IJAARN COC(=O)c1cc2c(cc1NC(=O)c1ccc3c(c1)nc1c(c3Cl)CCCC1)OCO2 ZINC000020286846 569359181 /nfs/dbraw/zinc/35/91/81/569359181.db2.gz DIOPDJAPPRTEFT-UHFFFAOYSA-N 0 0 438.867 4.535 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(C)cc4)no3)CC2)cc1Cl ZINC000020329434 569360736 /nfs/dbraw/zinc/36/07/36/569360736.db2.gz YPLUPOCCFGOAMV-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000020384814 569362885 /nfs/dbraw/zinc/36/28/85/569362885.db2.gz YMYMSPRKVRJTSJ-HNAYVOBHSA-N 0 0 438.597 4.809 50 0 IJAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCc4ccccc4)cc32)cc1 ZINC000020385651 569362973 /nfs/dbraw/zinc/36/29/73/569362973.db2.gz GJUXESSJUUJHTQ-UHFFFAOYSA-N 0 0 431.561 4.998 50 0 IJAARN O=C(NCCc1ccccc1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415077 569364318 /nfs/dbraw/zinc/36/43/18/569364318.db2.gz IZVDOUYWCIAHLQ-UHFFFAOYSA-N 0 0 434.540 4.559 50 0 IJAARN CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)cc1OC ZINC000095448284 569367665 /nfs/dbraw/zinc/36/76/65/569367665.db2.gz YPHKHDFSAWOJEE-MRXNPFEDSA-N 0 0 436.350 4.564 50 0 IJAARN CCc1cc(=O)c2cc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)ccc2[nH]1 ZINC000095465053 569370659 /nfs/dbraw/zinc/37/06/59/569370659.db2.gz CQGJDSOUUDMMBT-VWLOTQADSA-N 0 0 438.483 4.797 50 0 IJAARN CCc1ccc([C@H](C)NC(=O)C2(Br)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095469460 569371557 /nfs/dbraw/zinc/37/15/57/569371557.db2.gz DMPWKRGPMPVGLI-HNNXBMFYSA-N 0 0 439.394 4.591 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000095475160 569372752 /nfs/dbraw/zinc/37/27/52/569372752.db2.gz UHICJOFSJNVULT-DJPFJPOOSA-N 0 0 426.384 4.659 50 0 IJAARN Cc1n[nH]c(C)c1CCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000095475841 569372952 /nfs/dbraw/zinc/37/29/52/569372952.db2.gz YFBDMQFKICYKQV-VWLOTQADSA-N 0 0 436.987 4.546 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Br)c4)c32)cc1O ZINC000095480648 569373928 /nfs/dbraw/zinc/37/39/28/569373928.db2.gz UHVSHKWNNHBDKP-SFHVURJKSA-N 0 0 446.326 4.773 50 0 IJAARN COc1cccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)c1 ZINC000095482232 569374331 /nfs/dbraw/zinc/37/43/31/569374331.db2.gz CLSYLDRJINQCLA-UHFFFAOYSA-N 0 0 438.336 4.602 50 0 IJAARN COc1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000095483668 569374591 /nfs/dbraw/zinc/37/45/91/569374591.db2.gz LBRWZPVCECDHRK-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)cc1F ZINC000020664720 569375025 /nfs/dbraw/zinc/37/50/25/569375025.db2.gz NKJTVXICTYNITH-XBHMSOGKSA-N 0 0 436.524 4.629 50 0 IJAARN O=C(Nc1nc2ccc(F)cc2s1)c1ncc(Br)cc1Br ZINC000095939844 569375321 /nfs/dbraw/zinc/37/53/21/569375321.db2.gz FFPFAVBSEVOYOI-UHFFFAOYSA-N 0 0 431.084 4.608 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1CC(c2ccsc2)=NN1C(=O)c1ccccc1 ZINC000095945196 569375812 /nfs/dbraw/zinc/37/58/12/569375812.db2.gz DVOHZZCVAGLQMX-OAQYLSRUSA-N 0 0 434.517 4.682 50 0 IJAARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995158 569378593 /nfs/dbraw/zinc/37/85/93/569378593.db2.gz UUAPHMQOSYIGMQ-INMHGKMJSA-N 0 0 428.495 4.646 50 0 IJAARN CC(C)NC(=O)c1ccc(NCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000096003594 569379237 /nfs/dbraw/zinc/37/92/37/569379237.db2.gz BXSWSSIABCEYCX-UHFFFAOYSA-N 0 0 425.536 4.744 50 0 IJAARN OCC[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccccc1Br ZINC000096005732 569379379 /nfs/dbraw/zinc/37/93/79/569379379.db2.gz OEVDHAHYHXXSGZ-FQEVSTJZSA-N 0 0 435.325 4.990 50 0 IJAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000096117423 569384139 /nfs/dbraw/zinc/38/41/39/569384139.db2.gz AHEHEHDIQCFPSX-IBGZPJMESA-N 0 0 436.947 4.527 50 0 IJAARN COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1 ZINC000096119767 569384832 /nfs/dbraw/zinc/38/48/32/569384832.db2.gz OSIBLKZTMACWJA-UHFFFAOYSA-N 0 0 434.521 4.762 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124060 569385409 /nfs/dbraw/zinc/38/54/09/569385409.db2.gz NECFTJPPLCHZRG-HXUWFJFHSA-N 0 0 441.535 4.674 50 0 IJAARN Cc1nc(/C=C\C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cs1 ZINC000096133941 569385907 /nfs/dbraw/zinc/38/59/07/569385907.db2.gz QDFNRKKMDNGBGB-KTKRTIGZSA-N 0 0 428.355 4.851 50 0 IJAARN CC(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211276 569386657 /nfs/dbraw/zinc/38/66/57/569386657.db2.gz LTOOEBBJVYNBCJ-SFTDATJTSA-N 0 0 432.486 4.610 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000096222224 569387044 /nfs/dbraw/zinc/38/70/44/569387044.db2.gz VDJOTUKWDUQWPK-HSZRJFAPSA-N 0 0 429.520 4.880 50 0 biogenic IJAARN COCCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1OC ZINC000096275335 569388218 /nfs/dbraw/zinc/38/82/18/569388218.db2.gz ONSTVTGZSUNYPL-DEOSSOPVSA-N 0 0 442.559 4.983 50 0 IJAARN Cc1ccc(-c2noc([C@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)cc1 ZINC000096277175 569388752 /nfs/dbraw/zinc/38/87/52/569388752.db2.gz CSYCDJFDXJQLJJ-QHCPKHFHSA-N 0 0 427.504 4.662 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1)C1CCC1 ZINC000096277952 569388965 /nfs/dbraw/zinc/38/89/65/569388965.db2.gz TXMRHNYRNLVBNS-SFHVURJKSA-N 0 0 426.314 4.699 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2ccccc2o1 ZINC000096279521 569389436 /nfs/dbraw/zinc/38/94/36/569389436.db2.gz HDJDQNDGENYKMZ-UHFFFAOYSA-N 0 0 449.893 4.764 50 0 IJAARN CCNC(=O)Nc1cccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000096280458 569389523 /nfs/dbraw/zinc/38/95/23/569389523.db2.gz OTODCMPALURJGE-UHFFFAOYSA-N 0 0 436.434 4.559 50 0 IJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000096280157 569389592 /nfs/dbraw/zinc/38/95/92/569389592.db2.gz KFIDTAISGRPUMJ-QHCPKHFHSA-N 0 0 436.464 4.585 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000096281136 569389871 /nfs/dbraw/zinc/38/98/71/569389871.db2.gz QOMPTAOXTSZQEF-RPBOFIJWSA-N 0 0 434.580 4.500 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)NC(C)C)C(C)C)cc1 ZINC000096289482 569390692 /nfs/dbraw/zinc/39/06/92/569390692.db2.gz WEBOFEOFYOHVFI-UHFFFAOYSA-N 0 0 438.977 4.745 50 0 IJAARN CCCN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1c1ccccc1F ZINC000096293412 569391599 /nfs/dbraw/zinc/39/15/99/569391599.db2.gz KNGWHZKXPRINBQ-UHFFFAOYSA-N 0 0 443.525 4.505 50 0 IJAARN COc1cccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccs3)n2)c1 ZINC000096294225 569391753 /nfs/dbraw/zinc/39/17/53/569391753.db2.gz UKQJTQUQJQVTJK-UHFFFAOYSA-N 0 0 433.533 4.734 50 0 IJAARN O=C(/C=C\c1ccc(I)o1)N[C@@H](c1cccs1)c1ccccc1 ZINC000096297708 569391870 /nfs/dbraw/zinc/39/18/70/569391870.db2.gz VFAQKGVNNYISCH-LECLMCCNSA-N 0 0 435.286 4.865 50 0 IJAARN Cc1ccccc1Nc1nc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cs1 ZINC000096311006 569392636 /nfs/dbraw/zinc/39/26/36/569392636.db2.gz XFIWVFYTWISSEZ-UHFFFAOYSA-N 0 0 449.624 4.568 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096317156 569393184 /nfs/dbraw/zinc/39/31/84/569393184.db2.gz JWURSEPWGMKXEL-SFHVURJKSA-N 0 0 441.595 4.522 50 0 IJAARN COc1cccc(CNC(=O)C[C@@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)c1 ZINC000096323098 569395026 /nfs/dbraw/zinc/39/50/26/569395026.db2.gz WOMOXPXNBDHTFP-JOCHJYFZSA-N 0 0 434.511 4.617 50 0 IJAARN CCc1ccc(-n2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)cc1 ZINC000096324357 569395816 /nfs/dbraw/zinc/39/58/16/569395816.db2.gz QVNHAWLRCOTGMT-UHFFFAOYSA-N 0 0 437.455 4.999 50 0 IJAARN COc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)c(OC)c1 ZINC000096324398 569395834 /nfs/dbraw/zinc/39/58/34/569395834.db2.gz VFZUMYODEOMPHN-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN COc1cc(NC(=O)CSc2nccnc2Oc2ccccc2)c(OC)cc1Cl ZINC000096332618 569396551 /nfs/dbraw/zinc/39/65/51/569396551.db2.gz GYYJQWURAALYAT-UHFFFAOYSA-N 0 0 431.901 4.670 50 0 IJAARN COc1ccc2cc(C(=O)NCc3ccc4c(c3)CCN4C(=O)c3cccc(C)c3)[nH]c2c1 ZINC000096358937 569397590 /nfs/dbraw/zinc/39/75/90/569397590.db2.gz HFZUOTYQMWRZLJ-UHFFFAOYSA-N 0 0 439.515 4.618 50 0 IJAARN CCCn1cc(C2=CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)c2cccnc21 ZINC000096386508 569398670 /nfs/dbraw/zinc/39/86/70/569398670.db2.gz BECCTLSOOIAGHM-UHFFFAOYSA-N 0 0 429.973 4.886 50 0 IJAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c(OC)c1 ZINC000096386601 569398689 /nfs/dbraw/zinc/39/86/89/569398689.db2.gz NRYXDSOLIWQORS-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000096387131 569398836 /nfs/dbraw/zinc/39/88/36/569398836.db2.gz SYRGEIFTDPLCAZ-VFNWGFHPSA-N 0 0 435.911 4.713 50 0 IJAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000096405050 569400581 /nfs/dbraw/zinc/40/05/81/569400581.db2.gz WXPHJRJZUWQUIM-RQPMMQJISA-N 0 0 441.524 4.594 50 0 IJAARN Cc1ccnc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 ZINC000096579701 569401592 /nfs/dbraw/zinc/40/15/92/569401592.db2.gz XZKYXTLXFGJGGP-UHFFFAOYSA-N 0 0 430.291 4.967 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000096592575 569401924 /nfs/dbraw/zinc/40/19/24/569401924.db2.gz NFEKOIPQWIFDOP-INIZCTEOSA-N 0 0 428.794 4.810 50 0 IJAARN N=c1sc2ccc3ccccc3c2n1CC(=O)Nc1ccc(Br)cc1F ZINC000334157756 569402116 /nfs/dbraw/zinc/40/21/16/569402116.db2.gz LLWGLFCPSJHHII-UHFFFAOYSA-N 0 0 430.302 4.876 50 0 IJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000334162513 569402201 /nfs/dbraw/zinc/40/22/01/569402201.db2.gz OXDPCOKYFILABY-UHFFFAOYSA-N 0 0 444.253 4.752 50 0 IJAARN CC(C)(C)[C@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000334162238 569402240 /nfs/dbraw/zinc/40/22/40/569402240.db2.gz LGLCTUGGGOZUCW-GOSISDBHSA-N 0 0 444.329 4.782 50 0 IJAARN COCCn1nc(C)c(NC(=O)N2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)c1C ZINC000097164758 569403436 /nfs/dbraw/zinc/40/34/36/569403436.db2.gz AOFDBZMCSFLIMU-QHCPKHFHSA-N 0 0 440.588 4.694 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)NC1CCC(C)CC1 ZINC000002459729 569403511 /nfs/dbraw/zinc/40/35/11/569403511.db2.gz ARRQQFOLOQFBOK-UHFFFAOYSA-N 0 0 432.586 4.614 50 0 IJAARN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccccc3F)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000002468663 569403942 /nfs/dbraw/zinc/40/39/42/569403942.db2.gz BOFKSVNOKBWVOZ-BJKOFHAPSA-N 0 0 427.479 4.867 50 0 IJAARN O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1c(F)cccc1Cl ZINC000002478186 569404618 /nfs/dbraw/zinc/40/46/18/569404618.db2.gz GBBCFUUQWBNJPZ-UHFFFAOYSA-N 0 0 428.916 4.642 50 0 IJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000002502969 569406077 /nfs/dbraw/zinc/40/60/77/569406077.db2.gz PHCOMMMUDONFDG-HXUWFJFHSA-N 0 0 429.339 4.764 50 0 IJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1N1CCCC1 ZINC000028010287 569406257 /nfs/dbraw/zinc/40/62/57/569406257.db2.gz XJGBQXUMKHLGKT-UHFFFAOYSA-N 0 0 448.592 4.542 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000028049181 569406654 /nfs/dbraw/zinc/40/66/54/569406654.db2.gz OQJCZEITSMCJJB-UHFFFAOYSA-N 0 0 439.581 4.628 50 0 IJAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000225706745 569407336 /nfs/dbraw/zinc/40/73/36/569407336.db2.gz LDANEFJPXMANFH-UHFFFAOYSA-N 0 0 437.348 4.774 50 0 IJAARN CCOc1cc(C(=O)NCc2ccnc(-c3ccsc3)c2)cc(OCC)c1OCC ZINC000225756310 569408149 /nfs/dbraw/zinc/40/81/49/569408149.db2.gz HPHUXIZTKBWWCP-UHFFFAOYSA-N 0 0 426.538 4.936 50 0 IJAARN O=C(CSc1nc(-c2cccs2)cn1-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000002621119 569411089 /nfs/dbraw/zinc/41/10/89/569411089.db2.gz CARQTCMLYABESD-UHFFFAOYSA-N 0 0 446.557 4.678 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1OC ZINC000002627521 569411858 /nfs/dbraw/zinc/41/18/58/569411858.db2.gz GLUJTSQYLITPLN-UHFFFAOYSA-N 0 0 435.505 4.579 50 0 IJAARN COc1ccc2cc(-c3cc(C(=O)OCC(=O)N4CCCC4)c4ccccc4n3)ccc2c1 ZINC000002642369 569413758 /nfs/dbraw/zinc/41/37/58/569413758.db2.gz GZUBUXPBQPSTKG-UHFFFAOYSA-N 0 0 440.499 4.843 50 0 IJAARN C[C@H](SCC(=O)N1CCCCCC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000002655138 569415393 /nfs/dbraw/zinc/41/53/93/569415393.db2.gz DJHZJHJUQSURBW-ZDUSSCGKSA-N 0 0 433.624 4.910 50 0 IJAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NCC(F)(F)F ZINC000002655375 569415414 /nfs/dbraw/zinc/41/54/14/569415414.db2.gz XNZKGHAEZMACOJ-UHFFFAOYSA-N 0 0 436.817 4.699 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002655424 569415425 /nfs/dbraw/zinc/41/54/25/569415425.db2.gz KIMMYHDOZRCZJL-UHFFFAOYSA-N 0 0 426.572 4.510 50 0 IJAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCC(Cc2ccccc2)CC1 ZINC000002662858 569416303 /nfs/dbraw/zinc/41/63/03/569416303.db2.gz FQESGZKYWZCPGT-UHFFFAOYSA-N 0 0 430.335 4.797 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](C)N(C)C)n1Cc1ccccc1 ZINC000002664373 569416417 /nfs/dbraw/zinc/41/64/17/569416417.db2.gz CTIIWGTVGKCKJG-INIZCTEOSA-N 0 0 444.004 4.642 50 0 IJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002664890 569416421 /nfs/dbraw/zinc/41/64/21/569416421.db2.gz JHSLRDVAROQBFE-UHFFFAOYSA-N 0 0 430.485 4.961 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000230016442 569417422 /nfs/dbraw/zinc/41/74/22/569417422.db2.gz GXKIREHZUOTFOE-RBZQAINGSA-N 0 0 446.478 4.666 50 0 IJAARN Cc1nn(Cc2ccc(C(=O)Nc3ncc(Cl)cc3Cl)o2)c(C)c1Br ZINC000002728208 569418661 /nfs/dbraw/zinc/41/86/61/569418661.db2.gz WKEBXLQOJSYONS-UHFFFAOYSA-N 0 0 444.116 4.858 50 0 IJAARN O=C1OC(c2ccc(I)cc2)=N/C1=C\c1cccc2ccccc12 ZINC000002771586 569420904 /nfs/dbraw/zinc/42/09/04/569420904.db2.gz JVBFPWJLZXHJRP-PDGQHHTCSA-N 0 0 425.225 4.789 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002796047 569422013 /nfs/dbraw/zinc/42/20/13/569422013.db2.gz KKLSNDFCDWPGBT-LLVKDONJSA-N 0 0 443.832 4.522 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)CC2CCCCC2)c1S(=O)(=O)c1ccccc1 ZINC000002847273 569423411 /nfs/dbraw/zinc/42/34/11/569423411.db2.gz FYJDXXBGZKYWHB-UHFFFAOYSA-N 0 0 438.549 4.889 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000002915126 569424970 /nfs/dbraw/zinc/42/49/70/569424970.db2.gz KXNGOFYAYSRYLX-RPBOFIJWSA-N 0 0 438.487 4.508 50 0 IJAARN CCCCCCNc1nc(Nc2ccc(I)cc2)nc(OCC)n1 ZINC000002924920 569425498 /nfs/dbraw/zinc/42/54/98/569425498.db2.gz RBLLUBCPQZNMFD-UHFFFAOYSA-N 0 0 441.317 4.611 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccc(OC)cc2)c1C ZINC000002928593 569426026 /nfs/dbraw/zinc/42/60/26/569426026.db2.gz XXNVWUUPSWUASV-UHFFFAOYSA-N 0 0 436.508 4.686 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](CC)Sc1nc2ccsc2c(=O)n1C1CC1 ZINC000002932518 569426102 /nfs/dbraw/zinc/42/61/02/569426102.db2.gz JTRBIGBOKVWVIZ-KRWDZBQOSA-N 0 0 429.567 4.701 50 0 IJAARN CC(=O)N1CCN(C(=O)c2c3c(nc4ccccc42)/C(=C\c2ccccc2Cl)CC3)CC1 ZINC000029511650 569431291 /nfs/dbraw/zinc/43/12/91/569431291.db2.gz GOHMYTGPGDGMQP-MNDPQUGUSA-N 0 0 445.950 4.679 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000029706366 569431898 /nfs/dbraw/zinc/43/18/98/569431898.db2.gz LGUUMUGCRMSJMW-UHFFFAOYSA-N 0 0 426.904 4.594 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc1 ZINC000002953207 569432296 /nfs/dbraw/zinc/43/22/96/569432296.db2.gz LUHCTIWXGQXIGI-FVDSYPCUSA-N 0 0 431.467 4.815 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1Cc1cccs1 ZINC000002970574 569433422 /nfs/dbraw/zinc/43/34/22/569433422.db2.gz RVNZGUBPMDMLBL-UHFFFAOYSA-N 0 0 440.521 4.804 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000057428476 569434954 /nfs/dbraw/zinc/43/49/54/569434954.db2.gz AAUSJMALIBAGTL-KRWDZBQOSA-N 0 0 441.622 4.947 50 0 IJAARN Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000029896902 569438290 /nfs/dbraw/zinc/43/82/90/569438290.db2.gz AKOJWHQGBIHBFY-UHFFFAOYSA-N 0 0 425.348 4.543 50 0 IJAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(OC)cc1 ZINC000003005796 569435186 /nfs/dbraw/zinc/43/51/86/569435186.db2.gz BQLDSHCQFUYXJJ-QFIPXVFZSA-N 0 0 427.541 4.653 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000003006537 569435209 /nfs/dbraw/zinc/43/52/09/569435209.db2.gz PNKOKKADGZFEAP-HSZRJFAPSA-N 0 0 435.495 4.970 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000003023789 569436121 /nfs/dbraw/zinc/43/61/21/569436121.db2.gz KHGGMZFLYMYNDP-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000003023339 569436133 /nfs/dbraw/zinc/43/61/33/569436133.db2.gz JAJFMIOLVBKBFU-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000003023813 569436136 /nfs/dbraw/zinc/43/61/36/569436136.db2.gz JBTDWWYUSRMFGM-UHFFFAOYSA-N 0 0 446.931 4.942 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3C(F)(F)F)c2)CC1 ZINC000003023983 569436188 /nfs/dbraw/zinc/43/61/88/569436188.db2.gz ZPLYUNCNBCFQIV-UHFFFAOYSA-N 0 0 444.450 4.517 50 0 IJAARN Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccco3)c2)c(C)c1 ZINC000057486277 569436434 /nfs/dbraw/zinc/43/64/34/569436434.db2.gz QKSOOSVVJKVSBD-UHFFFAOYSA-N 0 0 445.544 4.987 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1OC ZINC000057487165 569436635 /nfs/dbraw/zinc/43/66/35/569436635.db2.gz OPUKJOURQUFLSO-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488065 569436904 /nfs/dbraw/zinc/43/69/04/569436904.db2.gz DVFVKZNLFSOROF-CYBMUJFWSA-N 0 0 433.986 4.594 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl ZINC000057487768 569436858 /nfs/dbraw/zinc/43/68/58/569436858.db2.gz QCGVUINUDQGXEH-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)c1ccccc1 ZINC000057487810 569436863 /nfs/dbraw/zinc/43/68/63/569436863.db2.gz OQBOENAOYBWIRH-UHFFFAOYSA-N 0 0 441.965 4.856 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000057487956 569436896 /nfs/dbraw/zinc/43/68/96/569436896.db2.gz XHTPCPHROLWOFI-UHFFFAOYSA-N 0 0 441.965 4.856 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)c1 ZINC000057489296 569437065 /nfs/dbraw/zinc/43/70/65/569437065.db2.gz RBIUSEHRDLWOLW-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1 ZINC000057489253 569437066 /nfs/dbraw/zinc/43/70/66/569437066.db2.gz QVUQZNGULMLPRZ-HNNXBMFYSA-N 0 0 449.548 4.609 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc2F)c1 ZINC000003031161 569437600 /nfs/dbraw/zinc/43/76/00/569437600.db2.gz KIGYZTLKBWHGPI-QLVMHMETSA-N 0 0 432.561 4.798 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c1 ZINC000057505641 569438215 /nfs/dbraw/zinc/43/82/15/569438215.db2.gz LZUAZXNGRJWLMU-UHFFFAOYSA-N 0 0 426.929 4.676 50 0 IJAARN CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccco3)c(C)c2c1 ZINC000003046887 569438714 /nfs/dbraw/zinc/43/87/14/569438714.db2.gz HDBRWWQASCCWDI-UHFFFAOYSA-N 0 0 446.569 4.855 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(F)c(Cl)c3)c(C)c2c1 ZINC000003047720 569438723 /nfs/dbraw/zinc/43/87/23/569438723.db2.gz WYMWGDYMOXANAV-UHFFFAOYSA-N 0 0 438.908 4.817 50 0 IJAARN CCc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(-c2cccc(Cl)c2)n1 ZINC000057527461 569439144 /nfs/dbraw/zinc/43/91/44/569439144.db2.gz PTHXZUQFZNOBBF-UHFFFAOYSA-N 0 0 435.833 4.784 50 0 IJAARN COc1ccc(NC(=O)c2cc(Cl)cn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000003134500 569440753 /nfs/dbraw/zinc/44/07/53/569440753.db2.gz HLHFOEZMSLFWRP-UHFFFAOYSA-N 0 0 436.817 4.830 50 0 IJAARN O=C(c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)n1c2ccccc2c2ccccc21 ZINC000003164234 569441095 /nfs/dbraw/zinc/44/10/95/569441095.db2.gz LLROBKNESZECNE-UHFFFAOYSA-N 0 0 437.476 4.860 50 0 IJAARN O=C(CNc1ccccc1N1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057752730 569441279 /nfs/dbraw/zinc/44/12/79/569441279.db2.gz JJDUMWFKQUCGBT-JOCHJYFZSA-N 0 0 435.568 4.614 50 0 IJAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003187901 569441454 /nfs/dbraw/zinc/44/14/54/569441454.db2.gz SLRRYQAAGPBVDO-XMMPIXPASA-N 0 0 448.588 4.675 50 0 IJAARN Nc1c(-c2ccccc2)c(CN2CCN(c3ccccc3F)CC2)nn1-c1ccc(F)cc1 ZINC000057772692 569441461 /nfs/dbraw/zinc/44/14/61/569441461.db2.gz XAXRHKPTGSEYCL-UHFFFAOYSA-N 0 0 445.517 4.722 50 0 IJAARN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(F)cc1)c2=O ZINC000003214002 569441810 /nfs/dbraw/zinc/44/18/10/569441810.db2.gz MKWDDFNZPXMRPH-UHFFFAOYSA-N 0 0 426.318 4.685 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccccc43)c2)cc1C ZINC000003217410 569441845 /nfs/dbraw/zinc/44/18/45/569441845.db2.gz XKSJITIZFNFYCK-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccc(Br)cc1 ZINC000003216599 569441881 /nfs/dbraw/zinc/44/18/81/569441881.db2.gz UUWDJRYDQLWHNO-UHFFFAOYSA-N 0 0 439.309 4.672 50 0 IJAARN Nc1n[nH]c(S[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1 ZINC000003220908 569441996 /nfs/dbraw/zinc/44/19/96/569441996.db2.gz NJZXVJNBRMDFTJ-CYBMUJFWSA-N 0 0 427.839 4.531 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 ZINC000003242562 569442608 /nfs/dbraw/zinc/44/26/08/569442608.db2.gz VAURQOFTZDFMOR-UHFFFAOYSA-N 0 0 426.494 4.635 50 0 IJAARN Cc1cccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1C ZINC000003247884 569442789 /nfs/dbraw/zinc/44/27/89/569442789.db2.gz QPOAFOITGIAPOS-UHFFFAOYSA-N 0 0 429.545 4.758 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003267504 569443483 /nfs/dbraw/zinc/44/34/83/569443483.db2.gz PBOUBWLPIMYSMR-MRXNPFEDSA-N 0 0 428.444 4.881 50 0 IJAARN O=C(NC1CCC(NC(=O)c2ccc(F)cc2Cl)CC1)c1ccc(F)cc1Cl ZINC000003287154 569444131 /nfs/dbraw/zinc/44/41/31/569444131.db2.gz SNVKTQMTZAJCJG-UHFFFAOYSA-N 0 0 427.278 4.743 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)nc2-c2ccc(C)cc2)cc1 ZINC000003303913 569445171 /nfs/dbraw/zinc/44/51/71/569445171.db2.gz KZYPHCQLDGKOAF-UHFFFAOYSA-N 0 0 449.580 4.539 50 0 IJAARN CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000003318781 569445844 /nfs/dbraw/zinc/44/58/44/569445844.db2.gz DPMOEBFYGSLDOO-UHFFFAOYSA-N 0 0 449.498 4.801 50 0 IJAARN COc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1Cl ZINC000003320183 569445894 /nfs/dbraw/zinc/44/58/94/569445894.db2.gz HKQORFSWXSSPNE-UHFFFAOYSA-N 0 0 436.851 4.952 50 0 IJAARN C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003328267 569446284 /nfs/dbraw/zinc/44/62/84/569446284.db2.gz HNIDOZIRNJMWLC-JTQLQIEISA-N 0 0 431.703 4.770 50 0 IJAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)[C@@H]2C)cc1 ZINC000003339430 569446782 /nfs/dbraw/zinc/44/67/82/569446782.db2.gz OGOWXQBNXDMXFV-NSHDSACASA-N 0 0 440.714 4.751 50 0 IJAARN COc1cc(C(=O)Oc2ccc(F)cc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000003343296 569446984 /nfs/dbraw/zinc/44/69/84/569446984.db2.gz PXPAYTJWGPFHJU-UHFFFAOYSA-N 0 0 447.821 4.864 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)cc1 ZINC000003368708 569448286 /nfs/dbraw/zinc/44/82/86/569448286.db2.gz ALYZTLPHXCMXSZ-LBPRGKRZSA-N 0 0 447.409 4.799 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2sccc2-c2ccc(F)cc2)cc1 ZINC000058138916 569448422 /nfs/dbraw/zinc/44/84/22/569448422.db2.gz KYJSMOJIMKMTPM-UHFFFAOYSA-N 0 0 446.569 4.515 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000003384737 569448985 /nfs/dbraw/zinc/44/89/85/569448985.db2.gz NPVOVGIGPQEZRK-FQEVSTJZSA-N 0 0 436.581 4.717 50 0 IJAARN CCN(CC)c1ccc(C(=O)OCc2nnc(-c3ccccc3Br)o2)cc1 ZINC000003396436 569449485 /nfs/dbraw/zinc/44/94/85/569449485.db2.gz LRKOQGUXJFFDOP-UHFFFAOYSA-N 0 0 430.302 4.702 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(I)cc1 ZINC000003409820 569450057 /nfs/dbraw/zinc/45/00/57/569450057.db2.gz XYKFZUGNNQKLNZ-VIFPVBQESA-N 0 0 437.060 4.971 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(C(=O)N(C)C)c4)cc3)o2)c1 ZINC000030871024 569450085 /nfs/dbraw/zinc/45/00/85/569450085.db2.gz OUOQYFQBPXGPEX-UHFFFAOYSA-N 0 0 426.476 4.666 50 0 IJAARN Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)n1Cc1ccccc1 ZINC000003411380 569450129 /nfs/dbraw/zinc/45/01/29/569450129.db2.gz VMPZGXDGXUKENR-UHFFFAOYSA-N 0 0 442.342 4.740 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CCCC3 ZINC000003416776 569450283 /nfs/dbraw/zinc/45/02/83/569450283.db2.gz BULGCTSDWNPFBO-UHFFFAOYSA-N 0 0 428.579 4.598 50 0 IJAARN COc1ccc(-c2csc(NC(=O)Cn3c4ccccc4nc3C(F)(F)F)n2)cc1 ZINC000003422638 569450471 /nfs/dbraw/zinc/45/04/71/569450471.db2.gz GSKPTSHNYNSKFM-UHFFFAOYSA-N 0 0 432.427 4.826 50 0 IJAARN Cc1cc(C(=O)CSc2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003429593 569450717 /nfs/dbraw/zinc/45/07/17/569450717.db2.gz RCWRVAJVXDYGFD-UHFFFAOYSA-N 0 0 431.561 4.867 50 0 IJAARN CSCc1c2ccccc2oc1C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000003433577 569450955 /nfs/dbraw/zinc/45/09/55/569450955.db2.gz GUQHVVDGJCTIOI-UHFFFAOYSA-N 0 0 437.473 4.718 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000003464321 569451949 /nfs/dbraw/zinc/45/19/49/569451949.db2.gz BEHJCVHZNFETLY-IAGOWNOFSA-N 0 0 435.593 4.599 50 0 IJAARN COc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000003503892 569452836 /nfs/dbraw/zinc/45/28/36/569452836.db2.gz OJUUAADQLXAOJC-UHFFFAOYSA-N 0 0 437.517 4.797 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000003657861 569455823 /nfs/dbraw/zinc/45/58/23/569455823.db2.gz YWAWUWPQACHGIF-BJKOFHAPSA-N 0 0 430.504 4.643 50 0 IJAARN CCOc1ccccc1N(C)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003661019 569455945 /nfs/dbraw/zinc/45/59/45/569455945.db2.gz GCRHREFWHNCPOH-DQEYMECFSA-N 0 0 444.531 4.667 50 0 IJAARN COc1ccc(-c2nc(CSCc3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1 ZINC000031413396 569456296 /nfs/dbraw/zinc/45/62/96/569456296.db2.gz IZOOXTHNPYYKCI-UHFFFAOYSA-N 0 0 434.608 4.502 50 0 IJAARN FC(F)(F)c1cccc(-c2noc(CCCSc3nnc(-c4cccnc4)o3)n2)c1 ZINC000031691803 569456967 /nfs/dbraw/zinc/45/69/67/569456967.db2.gz HDXUKTXTQHUXSR-UHFFFAOYSA-N 0 0 433.415 4.925 50 0 IJAARN CCN1c2ccccc2N(c2ccccc2)/C1=C/C=c1\sc2nc3ccccc3n2c1=O ZINC000004046199 569458460 /nfs/dbraw/zinc/45/84/60/569458460.db2.gz LURHHECSUNIPHR-JVBWRSBESA-N 0 0 436.540 4.928 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000004087983 569458766 /nfs/dbraw/zinc/45/87/66/569458766.db2.gz FTQIQFXIZMVZCU-UHFFFAOYSA-N 0 0 429.954 4.710 50 0 IJAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000004087866 569458784 /nfs/dbraw/zinc/45/87/84/569458784.db2.gz IGFJJWWTICOTKD-UHFFFAOYSA-N 0 0 437.952 4.956 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000004084408 569458810 /nfs/dbraw/zinc/45/88/10/569458810.db2.gz KLGDUVLGRKMZRB-UKILVPOCSA-N 0 0 425.532 4.645 50 0 biogenic IJAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000004090961 569458917 /nfs/dbraw/zinc/45/89/17/569458917.db2.gz LSALHDOLGVOJOO-NTCAYCPXSA-N 0 0 445.544 4.782 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000032028595 569458955 /nfs/dbraw/zinc/45/89/55/569458955.db2.gz PWEDPFJJSLQEHH-UHFFFAOYSA-N 0 0 448.324 4.867 50 0 IJAARN CN1c2cccc(Cl)c2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(C(F)(F)F)cc2)C1=O ZINC000032093815 569459782 /nfs/dbraw/zinc/45/97/82/569459782.db2.gz HSTLWJGSFXGNQM-FQEVSTJZSA-N 0 0 446.816 4.799 50 0 IJAARN Cc1nc(NC(=O)c2ccc(Br)o2)sc1-c1nc(-c2ccccc2)no1 ZINC000032095324 569459837 /nfs/dbraw/zinc/45/98/37/569459837.db2.gz RJVSDHSOCGKWHA-UHFFFAOYSA-N 0 0 431.271 4.776 50 0 IJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032102265 569460107 /nfs/dbraw/zinc/46/01/07/569460107.db2.gz SMOLFNGWDIGKSM-DEOSSOPVSA-N 0 0 434.927 4.865 50 0 IJAARN COC(=O)c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2OC)c1 ZINC000004187243 569460810 /nfs/dbraw/zinc/46/08/10/569460810.db2.gz TZMJFKWCZJFJLI-UHFFFAOYSA-N 0 0 445.544 4.946 50 0 IJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(C)=O ZINC000004197470 569460880 /nfs/dbraw/zinc/46/08/80/569460880.db2.gz GXYMNPLOWKMRDI-AWEZNQCLSA-N 0 0 429.460 4.620 50 0 IJAARN COc1ccc(Br)c(C(=O)NC(C)(C)c2ccc(Br)cc2)c1 ZINC000032398432 569461550 /nfs/dbraw/zinc/46/15/50/569461550.db2.gz HIMKHUZQGQTYNE-UHFFFAOYSA-N 0 0 427.136 4.885 50 0 IJAARN CCCCn1nc(C)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1Cl ZINC000008245469 569462487 /nfs/dbraw/zinc/46/24/87/569462487.db2.gz MWAGDUMWPZORQQ-UHFFFAOYSA-N 0 0 426.952 4.882 50 0 IJAARN O=c1c2nc(N3CCCCC3)sc2c(-c2ccco2)nn1Cc1ccc(Cl)cc1 ZINC000038489196 569463049 /nfs/dbraw/zinc/46/30/49/569463049.db2.gz PXZYMBCPQCLONB-UHFFFAOYSA-N 0 0 426.929 4.805 50 0 IJAARN CN(C)c1cccc(C(=O)N2CCC(Cn3c4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000038534224 569463173 /nfs/dbraw/zinc/46/31/73/569463173.db2.gz FNGGVDVTAVCAGV-UHFFFAOYSA-N 0 0 430.474 4.674 50 0 IJAARN C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2N1 ZINC000067197417 569464419 /nfs/dbraw/zinc/46/44/19/569464419.db2.gz NXPPIUCXYHIVBE-RMLUDKJBSA-N 0 0 436.217 4.537 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000067206000 569464667 /nfs/dbraw/zinc/46/46/67/569464667.db2.gz YUWMUSJRRXWQOC-FPYGCLRLSA-N 0 0 437.883 4.538 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)c1C ZINC000067217284 569464951 /nfs/dbraw/zinc/46/49/51/569464951.db2.gz OCYJWSXGVAQZRS-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)cc1 ZINC000067235728 569465409 /nfs/dbraw/zinc/46/54/09/569465409.db2.gz BTXVOGABJSRQPY-UHFFFAOYSA-N 0 0 434.927 4.818 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237054 569465470 /nfs/dbraw/zinc/46/54/70/569465470.db2.gz LAQSFUWFBVTKFF-UHFFFAOYSA-N 0 0 438.940 4.715 50 0 IJAARN O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)Nc1ccccc1C(F)(F)F ZINC000038669606 569466026 /nfs/dbraw/zinc/46/60/26/569466026.db2.gz QDJFOYOEOQDODK-UHFFFAOYSA-N 0 0 449.433 4.980 50 0 IJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)cc1F ZINC000067258451 569466163 /nfs/dbraw/zinc/46/61/63/569466163.db2.gz ITNBRKXWPHOLIJ-UHFFFAOYSA-N 0 0 436.508 4.893 50 0 IJAARN CCN1c2ccccc2-c2nc(SCc3c(F)cccc3Cl)ncc2S1(=O)=O ZINC000067260075 569466303 /nfs/dbraw/zinc/46/63/03/569466303.db2.gz QMTRSVPGESVDJC-UHFFFAOYSA-N 0 0 435.933 4.757 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3cc(F)ccc3F)ncc2S1(=O)=O ZINC000067260223 569466309 /nfs/dbraw/zinc/46/63/09/569466309.db2.gz OHOUTRATFHYDST-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCC4=CCCCC4)ccn3n2)cc1 ZINC000067260955 569466435 /nfs/dbraw/zinc/46/64/35/569466435.db2.gz IBXYCJBWRCKWRG-UHFFFAOYSA-N 0 0 432.568 4.683 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N[C@H](C)c4ccc(F)cc4)ccn3n2)cc1 ZINC000067261020 569466459 /nfs/dbraw/zinc/46/64/59/569466459.db2.gz CYLWWJOXXHPIAI-GOSISDBHSA-N 0 0 446.526 4.693 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261714 569466561 /nfs/dbraw/zinc/46/65/61/569466561.db2.gz VSPCVICBASSRDK-UHFFFAOYSA-N 0 0 442.281 4.705 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000067288396 569467428 /nfs/dbraw/zinc/46/74/28/569467428.db2.gz FURGTGTXGCMIBQ-UHFFFAOYSA-N 0 0 449.860 4.992 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(OC)c1 ZINC000067289691 569467535 /nfs/dbraw/zinc/46/75/35/569467535.db2.gz DACXWBWMQGAVHT-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)NCc4ccc(C)cc4)nccn3n2)cc1 ZINC000067290346 569467575 /nfs/dbraw/zinc/46/75/75/569467575.db2.gz FALWAVSOYQXPFD-UHFFFAOYSA-N 0 0 432.549 4.512 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(OC)c4)nccn3n2)cc1 ZINC000067290270 569467589 /nfs/dbraw/zinc/46/75/89/569467589.db2.gz SDNOXTYYSARKPT-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067292195 569467715 /nfs/dbraw/zinc/46/77/15/569467715.db2.gz PXEMZADITNRMBH-QEQSUZCXSA-N 0 0 441.325 4.645 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc1Cl ZINC000067293640 569467786 /nfs/dbraw/zinc/46/77/86/569467786.db2.gz BVKVVUGVNHOURZ-RWEWTDSWSA-N 0 0 435.867 4.983 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(Cl)cc3C)oc21 ZINC000067294073 569467847 /nfs/dbraw/zinc/46/78/47/569467847.db2.gz CPZCNPWXAOEQOT-PIHGLKBESA-N 0 0 426.900 4.544 50 0 IJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(OC)cc(OC)c2)cc1 ZINC000067297584 569468007 /nfs/dbraw/zinc/46/80/07/569468007.db2.gz GTSJFGXAFAPQEV-RFBIWTDZSA-N 0 0 430.460 4.943 50 0 IJAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067296512 569468013 /nfs/dbraw/zinc/46/80/13/569468013.db2.gz YKYDDTNNANQDNA-PNHLSOANSA-N 0 0 427.460 4.798 50 0 IJAARN O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008942540 569488658 /nfs/dbraw/zinc/48/86/58/569488658.db2.gz BBKPQVXAEHQWRT-CYBMUJFWSA-N 0 0 437.384 4.627 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 ZINC000067320097 569468646 /nfs/dbraw/zinc/46/86/46/569468646.db2.gz IMRXVKDHIMAMHF-UHFFFAOYSA-N 0 0 440.613 4.866 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3cc(F)cc(F)c3)cc2)CC1 ZINC000067334492 569468836 /nfs/dbraw/zinc/46/88/36/569468836.db2.gz KOMCWZMCWUUPLD-UHFFFAOYSA-N 0 0 438.478 4.713 50 0 IJAARN Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2n1 ZINC000008621605 569469461 /nfs/dbraw/zinc/46/94/61/569469461.db2.gz QPSCCVCVJUAELG-JTQLQIEISA-N 0 0 429.855 4.533 50 0 IJAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccc(Cl)cc1Cl ZINC000008640532 569469549 /nfs/dbraw/zinc/46/95/49/569469549.db2.gz OZVLLYYMPXQLSH-UHFFFAOYSA-N 0 0 440.377 4.901 50 0 IJAARN Cc1ccccc1OCc1nc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000008724346 569471986 /nfs/dbraw/zinc/47/19/86/569471986.db2.gz APEFRTSDKZRBJS-QGZVFWFLSA-N 0 0 432.549 4.815 50 0 IJAARN CCCCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4nccs4)c12)OC(C)(C)CC3 ZINC000008765060 569474678 /nfs/dbraw/zinc/47/46/78/569474678.db2.gz APPJUGVYVLWXAZ-UHFFFAOYSA-N 0 0 442.537 4.713 50 0 biogenic IJAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008777284 569475383 /nfs/dbraw/zinc/47/53/83/569475383.db2.gz KMRLQNVYFUVICE-INIZCTEOSA-N 0 0 436.581 4.600 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1cc2ccccc2o1 ZINC000008784817 569475884 /nfs/dbraw/zinc/47/58/84/569475884.db2.gz ZFTREIRIKOKFCU-UHFFFAOYSA-N 0 0 428.901 4.801 50 0 IJAARN CCc1ccc([C@@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789221 569475930 /nfs/dbraw/zinc/47/59/30/569475930.db2.gz DXLRHAQUORYXON-DWACAAAGSA-N 0 0 443.591 4.808 50 0 biogenic IJAARN COc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790018 569475978 /nfs/dbraw/zinc/47/59/78/569475978.db2.gz WSSOCNIZDFFRJM-DFBJGRDBSA-N 0 0 440.499 4.884 50 0 biogenic IJAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c23)cc1 ZINC000008790171 569476059 /nfs/dbraw/zinc/47/60/59/569476059.db2.gz SUYXSPWNCCRXLN-UHFFFAOYSA-N 0 0 443.887 4.565 50 0 IJAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCC(=O)N3CCCCC3)c3ccccc32)c1 ZINC000008796102 569476413 /nfs/dbraw/zinc/47/64/13/569476413.db2.gz KJHYOWMRJNXDHD-UHFFFAOYSA-N 0 0 449.620 4.793 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC12CC3CC(CC(C3)C1)C2 ZINC000008825081 569477262 /nfs/dbraw/zinc/47/72/62/569477262.db2.gz SMJHCSVGVNBZSH-UHFFFAOYSA-N 0 0 444.910 4.579 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O ZINC000008828145 569477763 /nfs/dbraw/zinc/47/77/63/569477763.db2.gz HLBAQZZFKPLVCV-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008828209 569477765 /nfs/dbraw/zinc/47/77/65/569477765.db2.gz HFWXECOUGZSEPV-LSDHHAIUSA-N 0 0 430.335 4.759 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000008828312 569477840 /nfs/dbraw/zinc/47/78/40/569477840.db2.gz FFCCTAVMSQWMDF-SFHVURJKSA-N 0 0 445.494 4.761 50 0 IJAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840977 569478419 /nfs/dbraw/zinc/47/84/19/569478419.db2.gz LQQYEHKMIAJJQG-UHFFFAOYSA-N 0 0 444.597 4.828 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000008844171 569478580 /nfs/dbraw/zinc/47/85/80/569478580.db2.gz KWKJVDIWRJEPJE-LBPRGKRZSA-N 0 0 444.438 4.739 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 ZINC000008844998 569478672 /nfs/dbraw/zinc/47/86/72/569478672.db2.gz WYMUNMSJMRZYAM-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008845302 569478849 /nfs/dbraw/zinc/47/88/49/569478849.db2.gz RMSOXBTYIBCEIL-UQBPGWFLSA-N 0 0 447.535 4.685 50 0 IJAARN CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845424 569478858 /nfs/dbraw/zinc/47/88/58/569478858.db2.gz KJMSWSSEZZKBIC-VWLOTQADSA-N 0 0 440.503 4.712 50 0 IJAARN CSc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845425 569478873 /nfs/dbraw/zinc/47/88/73/569478873.db2.gz DDGSOTINRGBSAC-HSZRJFAPSA-N 0 0 428.517 4.645 50 0 IJAARN CCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000008845717 569478971 /nfs/dbraw/zinc/47/89/71/569478971.db2.gz WZYZAVOCOFEUAZ-VWLOTQADSA-N 0 0 440.503 4.630 50 0 IJAARN CCc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000008851963 569479475 /nfs/dbraw/zinc/47/94/75/569479475.db2.gz ZKOADMOPOWYBCO-UHFFFAOYSA-N 0 0 429.542 4.757 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000008862070 569480091 /nfs/dbraw/zinc/48/00/91/569480091.db2.gz BUHWPLCIFDHYBK-UHFFFAOYSA-N 0 0 425.535 4.532 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OCCC ZINC000008867953 569480334 /nfs/dbraw/zinc/48/03/34/569480334.db2.gz RGMUCYBKOYCLAC-HNNXBMFYSA-N 0 0 443.475 4.859 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OCCC ZINC000008867950 569480335 /nfs/dbraw/zinc/48/03/35/569480335.db2.gz RGMUCYBKOYCLAC-OAHLLOKOSA-N 0 0 443.475 4.859 50 0 IJAARN CCCCc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000008871038 569480704 /nfs/dbraw/zinc/48/07/04/569480704.db2.gz UZCVGJKLLPYSNI-IBGZPJMESA-N 0 0 444.535 4.834 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)[C@@H]2/C(C)=C/c2ccccc2)cc1 ZINC000008876520 569481117 /nfs/dbraw/zinc/48/11/17/569481117.db2.gz KEYURPTXUUETJX-GHZVVNKJSA-N 0 0 442.515 4.556 50 0 biogenic IJAARN CCCCN1c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c3cccc(c23)C1=O ZINC000008879412 569481385 /nfs/dbraw/zinc/48/13/85/569481385.db2.gz ITELZENUVRAPPK-UHFFFAOYSA-N 0 0 434.492 4.878 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000008880849 569481475 /nfs/dbraw/zinc/48/14/75/569481475.db2.gz FYELWFVPMHENHI-CQSZACIVSA-N 0 0 433.480 4.568 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000039844664 569481930 /nfs/dbraw/zinc/48/19/30/569481930.db2.gz SHUUWQBGISQTHI-UHFFFAOYSA-N 0 0 442.928 4.527 50 0 IJAARN FC(F)n1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccc21 ZINC000040039176 569483308 /nfs/dbraw/zinc/48/33/08/569483308.db2.gz XTFKONRBKZVNTE-UHFFFAOYSA-N 0 0 445.823 4.821 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008901858 569484330 /nfs/dbraw/zinc/48/43/30/569484330.db2.gz KXMHIGRLJSGXQW-UHFFFAOYSA-N 0 0 438.256 4.540 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)s2)cs1 ZINC000008901544 569484364 /nfs/dbraw/zinc/48/43/64/569484364.db2.gz IDJJFHIRBUUTCE-UHFFFAOYSA-N 0 0 431.970 4.890 50 0 IJAARN COc1ccc(NC(=O)Cn2c3cnccc3nc2SCc2ccccc2C)cc1OC ZINC000008913201 569485230 /nfs/dbraw/zinc/48/52/30/569485230.db2.gz ATIHSIKINIZXBD-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1nc(SC(C)C)ncc1Cl ZINC000008916971 569485941 /nfs/dbraw/zinc/48/59/41/569485941.db2.gz NNSFBJOIKHCZFX-UHFFFAOYSA-N 0 0 441.962 4.632 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl ZINC000008916300 569485712 /nfs/dbraw/zinc/48/57/12/569485712.db2.gz QPMQETNPZHEZRS-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)sc2c1CCCC2 ZINC000008917646 569486025 /nfs/dbraw/zinc/48/60/25/569486025.db2.gz KOZRWULJYBQJNI-UHFFFAOYSA-N 0 0 425.506 4.725 50 0 IJAARN COc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccc(F)cc2Cl)c(C)c1C(=O)[O-] ZINC000008932527 569487669 /nfs/dbraw/zinc/48/76/69/569487669.db2.gz WJFSMDRKVMSZNM-UHFFFAOYSA-N 0 0 430.907 4.942 50 0 IJAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]CCc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2C)cc1 ZINC000008932873 569487726 /nfs/dbraw/zinc/48/77/26/569487726.db2.gz HKTRVABQHBRDQI-UHFFFAOYSA-N 0 0 448.563 4.844 50 0 IJAARN COc1cc(OC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1Cl ZINC000008933605 569487787 /nfs/dbraw/zinc/48/77/87/569487787.db2.gz CPMNNEAQGUWPID-UHFFFAOYSA-N 0 0 436.899 4.894 50 0 IJAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)Nc1ccc(C)c(Cl)c1)c2=O ZINC000008955191 569490100 /nfs/dbraw/zinc/49/01/00/569490100.db2.gz WQSHBUAXEXWFHA-UHFFFAOYSA-N 0 0 438.940 4.737 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000008959345 569490358 /nfs/dbraw/zinc/49/03/58/569490358.db2.gz UJSXSTHUGQMMKA-UHFFFAOYSA-N 0 0 439.899 4.937 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000008959998 569490393 /nfs/dbraw/zinc/49/03/93/569490393.db2.gz OQLAVVNTFQTIJY-UHFFFAOYSA-N 0 0 440.540 4.510 50 0 IJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3sccc3C2)CC1 ZINC000040134148 569490532 /nfs/dbraw/zinc/49/05/32/569490532.db2.gz ISAWWKJWKMRFBH-UHFFFAOYSA-N 0 0 425.598 4.534 50 0 IJAARN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965251 569491378 /nfs/dbraw/zinc/49/13/78/569491378.db2.gz APQGCLZXISSLDU-QFIPXVFZSA-N 0 0 448.954 4.725 50 0 IJAARN Cn1c(CCNC(=O)C2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000008971299 569492705 /nfs/dbraw/zinc/49/27/05/569492705.db2.gz UGGAHOJMOCSMJF-UHFFFAOYSA-N 0 0 438.959 4.718 50 0 IJAARN COc1ccc2c(c1)c(C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)c(C)n2C1CC1 ZINC000040155172 569493911 /nfs/dbraw/zinc/49/39/11/569493911.db2.gz XBZYNTOKEUFPLE-AWEZNQCLSA-N 0 0 438.524 4.810 50 0 IJAARN Cc1ccccc1C[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000040155936 569494025 /nfs/dbraw/zinc/49/40/25/569494025.db2.gz VJMHNEDMCONXOI-JPYJTQIMSA-N 0 0 445.588 4.626 50 0 IJAARN COc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Br ZINC000040156954 569494274 /nfs/dbraw/zinc/49/42/74/569494274.db2.gz RAJZVSCUXXWRNG-TZIWHRDSSA-N 0 0 436.321 4.566 50 0 IJAARN CC(=O)Nc1cccc(CN2C(=O)[C@@H](Oc3ccccc3F)[C@H]2c2cc(F)ccc2F)c1 ZINC000040157770 569494376 /nfs/dbraw/zinc/49/43/76/569494376.db2.gz XSRYKYCMQKYMQB-PKTZIBPZSA-N 0 0 440.421 4.593 50 0 IJAARN Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000040158065 569494450 /nfs/dbraw/zinc/49/44/50/569494450.db2.gz HASNCSXQDLMPCE-UHFFFAOYSA-N 0 0 431.517 4.653 50 0 IJAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccco1 ZINC000008986397 569494810 /nfs/dbraw/zinc/49/48/10/569494810.db2.gz ZFQXIRPOGLTWFO-UHFFFAOYSA-N 0 0 434.304 4.966 50 0 IJAARN NC=C(CCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccccn1)c1ccccc1 ZINC000008990207 569495015 /nfs/dbraw/zinc/49/50/15/569495015.db2.gz ZQRFBUVFJPHCCH-OJHGWFAHSA-N 0 0 439.494 4.546 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)NC3CCCCC3)C3CCCCC3)n2)cc1OC ZINC000009031585 569497180 /nfs/dbraw/zinc/49/71/80/569497180.db2.gz AGKXRQCADXBVLA-UHFFFAOYSA-N 0 0 442.560 4.931 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 ZINC000009036639 569497314 /nfs/dbraw/zinc/49/73/14/569497314.db2.gz CRCKVNHYDKFQFU-UHFFFAOYSA-N 0 0 432.520 4.793 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288221 569498427 /nfs/dbraw/zinc/49/84/27/569498427.db2.gz PISFEASUNGHCOR-RPWUZVMVSA-N 0 0 425.488 4.726 50 0 IJAARN CCOc1cc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc(Br)c1OC ZINC000009052320 569498770 /nfs/dbraw/zinc/49/87/70/569498770.db2.gz OHNFKPRIMIYREQ-UHFFFAOYSA-N 0 0 442.737 4.661 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)c2ccco2)c1 ZINC000009057306 569499127 /nfs/dbraw/zinc/49/91/27/569499127.db2.gz ODHWPRKOLBVXLW-UHFFFAOYSA-N 0 0 432.505 4.574 50 0 IJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245238823 569500527 /nfs/dbraw/zinc/50/05/27/569500527.db2.gz BLBIZLNLLRQJJB-UTBIRPSLSA-N 0 0 429.630 4.904 50 0 IJAARN COc1ccc(OC)c([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3[nH]2)c1 ZINC000009090259 569500967 /nfs/dbraw/zinc/50/09/67/569500967.db2.gz JOQWGUWJZLEPQU-QHCPKHFHSA-N 0 0 426.476 4.503 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H]1c1cccs1 ZINC000245258125 569501685 /nfs/dbraw/zinc/50/16/85/569501685.db2.gz KNWWWAXPHDBEDC-ULCPXKOSSA-N 0 0 440.609 4.616 50 0 IJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccccc3CN3C(=O)CNC3=O)cc2)c1 ZINC000009112342 569502390 /nfs/dbraw/zinc/50/23/90/569502390.db2.gz OVGCSOVEDRLTRW-UHFFFAOYSA-N 0 0 445.544 4.759 50 0 IJAARN CC1=C(C(=O)Nc2ccc(C(=O)NC[C@H](C)c3ccccc3)c(Cl)c2)SCCO1 ZINC000009115329 569502702 /nfs/dbraw/zinc/50/27/02/569502702.db2.gz HVNRINMENSLLAT-AWEZNQCLSA-N 0 0 430.957 4.807 50 0 IJAARN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCc2cccc(Br)c2)o1 ZINC000009115496 569502744 /nfs/dbraw/zinc/50/27/44/569502744.db2.gz WASRNQZGRRBZQT-SANMLTNESA-N 0 0 432.339 4.588 50 0 IJAARN Cc1cccc([S@](=O)Cc2ccc(C(=O)NCc3ccccc3Br)o2)c1 ZINC000009115398 569502755 /nfs/dbraw/zinc/50/27/55/569502755.db2.gz VGVVRENAYPALHN-SANMLTNESA-N 0 0 432.339 4.588 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccc(C)cc4C)nc23)cc1 ZINC000009116924 569503021 /nfs/dbraw/zinc/50/30/21/569503021.db2.gz OPYCRJKEZFTNQE-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)c2ccccc2)c1 ZINC000245329121 569504031 /nfs/dbraw/zinc/50/40/31/569504031.db2.gz QVTYOGVBBXFECZ-ZJSXRUAMSA-N 0 0 447.579 4.964 50 0 IJAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C2=O ZINC000009125534 569504633 /nfs/dbraw/zinc/50/46/33/569504633.db2.gz PARSKXVQERUORN-CMJOXMDJSA-N 0 0 441.915 4.572 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccs1 ZINC000009125958 569504752 /nfs/dbraw/zinc/50/47/52/569504752.db2.gz LGOYIDNOXDBWTH-UHFFFAOYSA-N 0 0 448.573 4.686 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000009130625 569506159 /nfs/dbraw/zinc/50/61/59/569506159.db2.gz KWODXONGYBVEGC-UHFFFAOYSA-N 0 0 425.362 4.864 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167399 569508986 /nfs/dbraw/zinc/50/89/86/569508986.db2.gz WOTXDYBWPVVHBO-UHFFFAOYSA-N 0 0 444.597 4.947 50 0 IJAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 ZINC000009167114 569509049 /nfs/dbraw/zinc/50/90/49/569509049.db2.gz AFLCOHFCRXRMLZ-UHFFFAOYSA-N 0 0 438.549 4.513 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c(C)c1 ZINC000009168100 569509134 /nfs/dbraw/zinc/50/91/34/569509134.db2.gz JXESSNWQUHVJHT-UHFFFAOYSA-N 0 0 444.597 4.820 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000009174435 569509640 /nfs/dbraw/zinc/50/96/40/569509640.db2.gz RRAWVBHPXSEGBD-UHFFFAOYSA-N 0 0 449.488 4.975 50 0 IJAARN Cc1cccc(C)c1OCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000009191230 569510647 /nfs/dbraw/zinc/51/06/47/569510647.db2.gz OCFYZJMYUIHYKR-XQNSMLJCSA-N 0 0 442.540 4.532 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009196899 569511020 /nfs/dbraw/zinc/51/10/20/569511020.db2.gz KGSWRQCWTXMHLY-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN Cc1ccc(Nc2ncccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000009207629 569511453 /nfs/dbraw/zinc/51/14/53/569511453.db2.gz YRJNURKTLPRCJB-UHFFFAOYSA-N 0 0 428.536 4.933 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1cccc(-c3cc4ccccc4oc3=O)c1)CCCC2 ZINC000009209596 569511553 /nfs/dbraw/zinc/51/15/53/569511553.db2.gz HEWOMNSZWFZGNU-UHFFFAOYSA-N 0 0 444.512 4.752 50 0 IJAARN Cc1cn2nc(N3CCC4(C[C@@H]4c4nc(-c5cccc(Cl)c5)no4)CC3)sc2n1 ZINC000069668733 569512296 /nfs/dbraw/zinc/51/22/96/569512296.db2.gz BSESHAOHUSZZSP-OAHLLOKOSA-N 0 0 426.933 4.577 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000009222623 569512785 /nfs/dbraw/zinc/51/27/85/569512785.db2.gz IUYIYOMQOWHNKY-OAQYLSRUSA-N 0 0 432.524 4.599 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000009227705 569513454 /nfs/dbraw/zinc/51/34/54/569513454.db2.gz CCZDZHZFICVIBR-GOSISDBHSA-N 0 0 428.941 4.533 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCCCC3)cnn2-c2ccccc2)CC1 ZINC000009227863 569513509 /nfs/dbraw/zinc/51/35/09/569513509.db2.gz YBPNLNNWXMAYOC-UHFFFAOYSA-N 0 0 438.572 4.613 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCCC3)cnn2-c2ccccc2)CC1 ZINC000009227866 569513558 /nfs/dbraw/zinc/51/35/58/569513558.db2.gz NDVKNNQSTMEYOA-UHFFFAOYSA-N 0 0 438.572 4.659 50 0 IJAARN COC(CNc1nc(SC)nc2c3c4c(c(-c5ccco5)nc3sc21)CCC4)OC ZINC000009233700 569513919 /nfs/dbraw/zinc/51/39/19/569513919.db2.gz FXCMQOWVUHIAJU-UHFFFAOYSA-N 0 0 442.566 4.741 50 0 IJAARN O=C(CN1C(=O)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O)c1ccc(Cl)cc1 ZINC000009233942 569513927 /nfs/dbraw/zinc/51/39/27/569513927.db2.gz WCHUCRJYXQROMN-UBKPWBPPSA-N 0 0 436.272 4.641 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009237173 569514193 /nfs/dbraw/zinc/51/41/93/569514193.db2.gz JLIRMWWVNHXXAR-SFTDATJTSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009237359 569514225 /nfs/dbraw/zinc/51/42/25/569514225.db2.gz MLTRMKOEBCDBKM-HXUWFJFHSA-N 0 0 447.458 4.559 50 0 IJAARN O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238406 569514320 /nfs/dbraw/zinc/51/43/20/569514320.db2.gz ZBICHAAMRJSZCQ-VQTJNVASSA-N 0 0 449.486 4.621 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009239420 569514534 /nfs/dbraw/zinc/51/45/34/569514534.db2.gz DPCHIFVHGDZRMS-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009245876 569515417 /nfs/dbraw/zinc/51/54/17/569515417.db2.gz OLROXMGHSWJFIB-DEOSSOPVSA-N 0 0 426.463 4.662 50 0 IJAARN CN(Cc1ccccc1)c1nnc(NC(=O)Nc2ccc(Br)cc2F)s1 ZINC000009251139 569515837 /nfs/dbraw/zinc/51/58/37/569515837.db2.gz IIWMCKSWQHUGKR-UHFFFAOYSA-N 0 0 436.310 4.720 50 0 IJAARN O=C(CSc1ncnc2cc(-c3ccc(Br)cc3)sc21)N1CCCC1 ZINC000009252479 569516050 /nfs/dbraw/zinc/51/60/50/569516050.db2.gz TVDJIADZVKLQFL-UHFFFAOYSA-N 0 0 434.384 4.835 50 0 IJAARN Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)n1-c1nccs1 ZINC000009254429 569516363 /nfs/dbraw/zinc/51/63/63/569516363.db2.gz APUDTORSNUHMQO-UHFFFAOYSA-N 0 0 430.913 4.593 50 0 IJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009255216 569516544 /nfs/dbraw/zinc/51/65/44/569516544.db2.gz LOAYQMONBMAIJB-UHFFFAOYSA-N 0 0 447.482 4.689 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1 ZINC000009255646 569516574 /nfs/dbraw/zinc/51/65/74/569516574.db2.gz WSBDLWVQVFMALL-INIZCTEOSA-N 0 0 432.549 4.920 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)Nc3ccccc3C)c2n1 ZINC000009268287 569517564 /nfs/dbraw/zinc/51/75/64/569517564.db2.gz NXKGLPJISFXIIK-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2OC)cc1 ZINC000009272606 569517979 /nfs/dbraw/zinc/51/79/79/569517979.db2.gz WEAJJGSPHVJWRZ-UHFFFAOYSA-N 0 0 430.504 4.858 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=N1)[C@@H](c1ccccc1Cl)O2 ZINC000009293541 569520233 /nfs/dbraw/zinc/52/02/33/569520233.db2.gz WWWIHJDDUKIGCL-DHIUTWEWSA-N 0 0 427.895 4.848 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 ZINC000009295007 569520309 /nfs/dbraw/zinc/52/03/09/569520309.db2.gz NGCYFWLHSCUHFM-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN Fc1cc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)ccc1Cl ZINC000009293551 569520314 /nfs/dbraw/zinc/52/03/14/569520314.db2.gz WQFFPBVYTVNRFG-YADHBBJMSA-N 0 0 431.858 4.678 50 0 IJAARN COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009293670 569520324 /nfs/dbraw/zinc/52/03/24/569520324.db2.gz SWSUHBBWVUFAQU-DHIUTWEWSA-N 0 0 443.894 4.548 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N(C)CCc1ccccn1)oc1c3CCCC1 ZINC000009303466 569521005 /nfs/dbraw/zinc/52/10/05/569521005.db2.gz DIPJRKONUKESDZ-UHFFFAOYSA-N 0 0 444.531 4.755 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3Cl)s2)cc1 ZINC000009306394 569521346 /nfs/dbraw/zinc/52/13/46/569521346.db2.gz YABNFDAUMOPHEN-UHFFFAOYSA-N 0 0 449.985 4.715 50 0 IJAARN Cc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C ZINC000009317699 569522376 /nfs/dbraw/zinc/52/23/76/569522376.db2.gz JMRXQHUQADBUNM-IBGZPJMESA-N 0 0 431.565 4.644 50 0 IJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000009337619 569523611 /nfs/dbraw/zinc/52/36/11/569523611.db2.gz FRXMVHLAPVNRFH-JOCHJYFZSA-N 0 0 426.563 4.557 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000009356155 569525405 /nfs/dbraw/zinc/52/54/05/569525405.db2.gz OKHJLLIZRCVIQK-UHFFFAOYSA-N 0 0 438.549 4.665 50 0 IJAARN Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)cc1C ZINC000009364850 569526036 /nfs/dbraw/zinc/52/60/36/569526036.db2.gz LGOZIESJGNTBRE-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc3ccccc32)s1)Nc1ccc(F)cc1 ZINC000009365813 569526162 /nfs/dbraw/zinc/52/61/62/569526162.db2.gz GRKGAGOWKIRLRC-UHFFFAOYSA-N 0 0 438.509 4.814 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000009369911 569526818 /nfs/dbraw/zinc/52/68/18/569526818.db2.gz XBRYMYVAACCLPS-UHFFFAOYSA-N 0 0 447.333 4.777 50 0 IJAARN CCn1c(CNc2cccc3ccccc32)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009376342 569527311 /nfs/dbraw/zinc/52/73/11/569527311.db2.gz RJYXUEOZNYGOJK-UHFFFAOYSA-N 0 0 448.592 4.996 50 0 IJAARN COc1ccc2cc(CN(C)C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)ccc2c1 ZINC000009377874 569527495 /nfs/dbraw/zinc/52/74/95/569527495.db2.gz GBODFIACRMPLCQ-JOCHJYFZSA-N 0 0 431.536 4.751 50 0 IJAARN CCN(CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000009379476 569527743 /nfs/dbraw/zinc/52/77/43/569527743.db2.gz XGFXLVLHBWVHSW-UHFFFAOYSA-N 0 0 425.536 4.581 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000009379111 569527746 /nfs/dbraw/zinc/52/77/46/569527746.db2.gz LYWVFRVOPGDSNB-UHFFFAOYSA-N 0 0 442.563 4.610 50 0 IJAARN Fc1ccc([C@@H]2c3nc[nH]c3CCN2C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009382428 569528266 /nfs/dbraw/zinc/52/82/66/569528266.db2.gz QHOKDTVHUUDXCM-GOSISDBHSA-N 0 0 436.434 4.792 50 0 IJAARN Cc1c(Cl)c(CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc2ccccc12 ZINC000070017499 569528621 /nfs/dbraw/zinc/52/86/21/569528621.db2.gz MSCZXRMVKRHJNU-UHFFFAOYSA-N 0 0 449.938 4.622 50 0 IJAARN Cc1cc(C(=O)CSc2ncnc3ccccc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009390521 569528677 /nfs/dbraw/zinc/52/86/77/569528677.db2.gz CPOKCVUJBLVBFQ-UHFFFAOYSA-N 0 0 431.517 4.800 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000009390522 569528697 /nfs/dbraw/zinc/52/86/97/569528697.db2.gz MWGYSFIWAVVMLM-VIFPVBQESA-N 0 0 428.370 4.848 50 0 IJAARN CCCn1c(C)cc(-c2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)c1C ZINC000009390551 569528715 /nfs/dbraw/zinc/52/87/15/569528715.db2.gz YUPSQHPCLXRWKH-UHFFFAOYSA-N 0 0 435.553 4.760 50 0 IJAARN COc1ccccc1-n1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC(C)C ZINC000009390955 569528801 /nfs/dbraw/zinc/52/88/01/569528801.db2.gz LSWXHTYLCQARFU-UHFFFAOYSA-N 0 0 440.613 4.609 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1OC ZINC000009391000 569528832 /nfs/dbraw/zinc/52/88/32/569528832.db2.gz IKXSASDALCMFCO-ONNFQVAWSA-N 0 0 441.940 4.942 50 0 IJAARN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N[C@H]1CCCc2ccccc21 ZINC000009396712 569529197 /nfs/dbraw/zinc/52/91/97/569529197.db2.gz VJUXETMZINZBAV-KRWDZBQOSA-N 0 0 431.464 4.624 50 0 IJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cn3cccc(C)c3n2)c1 ZINC000009403785 569529513 /nfs/dbraw/zinc/52/95/13/569529513.db2.gz YTAQNPDYRPULIQ-UHFFFAOYSA-N 0 0 428.517 4.643 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1F ZINC000009403990 569529544 /nfs/dbraw/zinc/52/95/44/569529544.db2.gz ABNGDQRKNSDZHV-UHFFFAOYSA-N 0 0 429.498 4.615 50 0 IJAARN Cc1cc(C)n2cc(CSc3nc4ccccc4c(=O)n3-c3ccccc3Cl)nc2n1 ZINC000009403809 569529567 /nfs/dbraw/zinc/52/95/67/569529567.db2.gz RSBBFFKIUTYVPX-UHFFFAOYSA-N 0 0 447.951 4.991 50 0 IJAARN O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCC(Cc2ccccc2)CC1 ZINC000009407514 569530257 /nfs/dbraw/zinc/53/02/57/569530257.db2.gz ANPCMDAWRXVKOR-UHFFFAOYSA-N 0 0 437.586 4.797 50 0 IJAARN Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)NCc1ccco1 ZINC000009408604 569530632 /nfs/dbraw/zinc/53/06/32/569530632.db2.gz RZBVPBNPSYAKOU-UHFFFAOYSA-N 0 0 444.322 4.557 50 0 IJAARN COc1cc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)cc(OC)c1OC ZINC000009408840 569530713 /nfs/dbraw/zinc/53/07/13/569530713.db2.gz JWWHYGUZLOEPJW-UHFFFAOYSA-N 0 0 438.457 4.767 50 0 IJAARN CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 ZINC000009409069 569530822 /nfs/dbraw/zinc/53/08/22/569530822.db2.gz PBOYVOOGAYAQKB-RUZDIDTESA-N 0 0 449.551 4.933 50 0 IJAARN CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1 ZINC000009409123 569530894 /nfs/dbraw/zinc/53/08/94/569530894.db2.gz VFEVQDXACMLVAQ-XMMPIXPASA-N 0 0 435.524 4.541 50 0 IJAARN CCCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 ZINC000009409222 569530906 /nfs/dbraw/zinc/53/09/06/569530906.db2.gz QPHRRUZMPXBBOK-VWLOTQADSA-N 0 0 449.551 4.669 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000009409265 569530981 /nfs/dbraw/zinc/53/09/81/569530981.db2.gz YOQJFWFLNDBJCC-XMMPIXPASA-N 0 0 435.524 4.925 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000009409266 569530983 /nfs/dbraw/zinc/53/09/83/569530983.db2.gz YOQJFWFLNDBJCC-DEOSSOPVSA-N 0 0 435.524 4.925 50 0 IJAARN Cc1c(C)n(-c2ccccn2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000009409818 569531112 /nfs/dbraw/zinc/53/11/12/569531112.db2.gz QYJAVFIUZRZJQS-UHFFFAOYSA-N 0 0 443.561 4.982 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(C)cc3)o1)CCC2 ZINC000009416830 569532402 /nfs/dbraw/zinc/53/24/02/569532402.db2.gz OMMABKQJPVRWLR-UHFFFAOYSA-N 0 0 443.550 4.503 50 0 IJAARN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2ccccc2)cc1OC ZINC000009426363 569533269 /nfs/dbraw/zinc/53/32/69/569533269.db2.gz NLISOQLIYYFGGT-VWLOTQADSA-N 0 0 427.504 4.983 50 0 IJAARN COCCCNC(=O)c1c2c(sc1NC(=O)Cc1coc3ccc(C)cc13)CCCC2 ZINC000009430820 569533980 /nfs/dbraw/zinc/53/39/80/569533980.db2.gz HMPRWVOLYGFLOF-UHFFFAOYSA-N 0 0 440.565 4.629 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000009431305 569534146 /nfs/dbraw/zinc/53/41/46/569534146.db2.gz FOCJTEBVQHCKBH-HNNXBMFYSA-N 0 0 437.970 4.594 50 0 IJAARN CCCN(C(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccc(F)cc1 ZINC000009431628 569534221 /nfs/dbraw/zinc/53/42/21/569534221.db2.gz JPKCTJMJZQQUNK-GOSISDBHSA-N 0 0 438.503 4.544 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]1c1cccs1 ZINC000009432773 569534453 /nfs/dbraw/zinc/53/44/53/569534453.db2.gz HWPRLQLVOYXSSI-DHIUTWEWSA-N 0 0 448.544 4.517 50 0 IJAARN COc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000009441564 569535373 /nfs/dbraw/zinc/53/53/73/569535373.db2.gz ZTFSTSHZLOVTLX-FQEVSTJZSA-N 0 0 439.899 4.879 50 0 IJAARN COc1ccc(NC(=O)CSc2ccccc2C(=O)NCC2CCCCC2)cc1OC ZINC000009441812 569535403 /nfs/dbraw/zinc/53/54/03/569535403.db2.gz PGKZUTBRDFXFAE-UHFFFAOYSA-N 0 0 442.581 4.745 50 0 IJAARN CCc1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)c2cc3sccc3n21 ZINC000009441893 569535416 /nfs/dbraw/zinc/53/54/16/569535416.db2.gz GZITUVNTEPZCAF-UHFFFAOYSA-N 0 0 432.958 4.899 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)N3CCc4ccccc4C3)s2)cc1 ZINC000009442857 569535675 /nfs/dbraw/zinc/53/56/75/569535675.db2.gz MHMYUCFKEVTSBE-UHFFFAOYSA-N 0 0 443.619 4.516 50 0 IJAARN COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000009447496 569536013 /nfs/dbraw/zinc/53/60/13/569536013.db2.gz GZQUASSQPXJQJI-KRWDZBQOSA-N 0 0 429.567 4.688 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)cc12 ZINC000009449222 569536191 /nfs/dbraw/zinc/53/61/91/569536191.db2.gz VFEHFYIHXPVAEP-UHFFFAOYSA-N 0 0 449.931 4.951 50 0 IJAARN C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccccn1 ZINC000009453211 569536604 /nfs/dbraw/zinc/53/66/04/569536604.db2.gz QWYBXJLLRSPURV-OAHLLOKOSA-N 0 0 434.879 4.592 50 0 IJAARN COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1Cl ZINC000009462407 569537254 /nfs/dbraw/zinc/53/72/54/569537254.db2.gz WDKHWKWRNWWSTQ-UHFFFAOYSA-N 0 0 445.953 4.796 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2c1=O ZINC000009462946 569537341 /nfs/dbraw/zinc/53/73/41/569537341.db2.gz FGJBFCATEKIHBV-LJQANCHMSA-N 0 0 432.549 4.640 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000009463505 569537484 /nfs/dbraw/zinc/53/74/84/569537484.db2.gz AHNMUTGOTSLMFB-UHFFFAOYSA-N 0 0 427.533 4.549 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000009463503 569537486 /nfs/dbraw/zinc/53/74/86/569537486.db2.gz JEKDMKUEGUNRHY-QFIPXVFZSA-N 0 0 441.560 4.615 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009463512 569537522 /nfs/dbraw/zinc/53/75/22/569537522.db2.gz LTWIOJOKKOAJRT-VIOKTNGOSA-N 0 0 431.985 4.693 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009465847 569538068 /nfs/dbraw/zinc/53/80/68/569538068.db2.gz XZUYHPMNERLOIN-UHFFFAOYSA-N 0 0 431.561 4.706 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000009465961 569538075 /nfs/dbraw/zinc/53/80/75/569538075.db2.gz VBWOGLQYBIJZCI-OAQYLSRUSA-N 0 0 434.590 4.841 50 0 IJAARN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCc2cccnc2)c1=S ZINC000009469285 569538775 /nfs/dbraw/zinc/53/87/75/569538775.db2.gz YANOXFQALDMOHN-UHFFFAOYSA-N 0 0 429.977 4.636 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000009478584 569539374 /nfs/dbraw/zinc/53/93/74/569539374.db2.gz YHZBPUNXOUNSCH-UHFFFAOYSA-N 0 0 431.521 4.695 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009487194 569539676 /nfs/dbraw/zinc/53/96/76/569539676.db2.gz WGTIQMJBZMCVKS-JOCHJYFZSA-N 0 0 430.435 4.784 50 0 IJAARN COc1ccc(-n2c(/C=C/c3cccc(OC)c3OC)nc3ccccc3c2=O)cc1OC ZINC000009489907 569540083 /nfs/dbraw/zinc/54/00/83/569540083.db2.gz XREPOBVTDWSGSU-NTCAYCPXSA-N 0 0 444.487 4.591 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000009497735 569541280 /nfs/dbraw/zinc/54/12/80/569541280.db2.gz CIDLSLCXBLCMTQ-ZDUSSCGKSA-N 0 0 428.945 4.926 50 0 IJAARN COc1cc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc(OC)c1OC ZINC000009498524 569541357 /nfs/dbraw/zinc/54/13/57/569541357.db2.gz JRFKGSKCIBEAQW-UHFFFAOYSA-N 0 0 427.526 4.781 50 0 IJAARN CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c1 ZINC000009499518 569541423 /nfs/dbraw/zinc/54/14/23/569541423.db2.gz NCFFKRNNVIVLAP-UHFFFAOYSA-N 0 0 434.492 4.536 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](CSCc2ccccc2C)N3)cc1 ZINC000009505338 569541855 /nfs/dbraw/zinc/54/18/55/569541855.db2.gz ZFIZOSLNGSMPKM-DEOSSOPVSA-N 0 0 445.588 4.899 50 0 IJAARN Cc1cc(NC(=O)CSc2nc3scc(C4CC4)c3c(=O)n2C2CCCCC2)no1 ZINC000009507114 569541958 /nfs/dbraw/zinc/54/19/58/569541958.db2.gz IMLKMQWMTCVHSI-UHFFFAOYSA-N 0 0 444.582 4.868 50 0 IJAARN COCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009507323 569542004 /nfs/dbraw/zinc/54/20/04/569542004.db2.gz QJSVKSAUPAXJIB-UHFFFAOYSA-N 0 0 430.961 4.674 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000009508070 569542167 /nfs/dbraw/zinc/54/21/67/569542167.db2.gz GNSKIDAAGLEPNO-WBVHZDCISA-N 0 0 428.583 4.613 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CC(C)C ZINC000009508110 569542260 /nfs/dbraw/zinc/54/22/60/569542260.db2.gz FSLNVDQEBLULDF-UHFFFAOYSA-N 0 0 445.972 4.754 50 0 IJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Nc3cccc(OC)c3)c2c1C ZINC000009509051 569542486 /nfs/dbraw/zinc/54/24/86/569542486.db2.gz FCJPEOMJTONNME-UHFFFAOYSA-N 0 0 440.569 4.915 50 0 IJAARN COc1cc(OC)cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)c1 ZINC000009509330 569542511 /nfs/dbraw/zinc/54/25/11/569542511.db2.gz AZFKDBFTSQZBLB-DEOSSOPVSA-N 0 0 443.547 4.813 50 0 IJAARN Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000009509629 569542623 /nfs/dbraw/zinc/54/26/23/569542623.db2.gz AWAQZZPYISIESI-UHFFFAOYSA-N 0 0 431.565 4.829 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009510559 569542814 /nfs/dbraw/zinc/54/28/14/569542814.db2.gz FVMQGLSETHXDBM-FQEVSTJZSA-N 0 0 436.851 4.810 50 0 IJAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000009512393 569543007 /nfs/dbraw/zinc/54/30/07/569543007.db2.gz SLYNEJVYZDXFPV-QHCPKHFHSA-N 0 0 444.560 4.887 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 ZINC000009518511 569544149 /nfs/dbraw/zinc/54/41/49/569544149.db2.gz VOVRRGYMJJQVEV-UHFFFAOYSA-N 0 0 432.407 4.848 50 0 IJAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)cn1-c1ccccc1)Nc1ccccc1 ZINC000009529452 569544840 /nfs/dbraw/zinc/54/48/40/569544840.db2.gz MAAFQUXBBVMEDZ-UHFFFAOYSA-N 0 0 429.501 4.999 50 0 IJAARN COCCN(CCOC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000009531080 569545077 /nfs/dbraw/zinc/54/50/77/569545077.db2.gz HEXCCIYFHLJLHR-UHFFFAOYSA-N 0 0 436.943 4.840 50 0 IJAARN Cc1ccc2c(c1)n(Cc1ccccc1)c(C(=O)[O-])c2C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000009532908 569545359 /nfs/dbraw/zinc/54/53/59/569545359.db2.gz IAJCJMLWDJNPPE-UHFFFAOYSA-N 0 0 428.488 4.715 50 0 IJAARN O=c1c2ccccc2c(-c2ccc3c(c2)OCCO3)nn1-c1ncc(Cl)cc1Cl ZINC000009540376 569545767 /nfs/dbraw/zinc/54/57/67/569545767.db2.gz IZTNMNXQZXXBDJ-UHFFFAOYSA-N 0 0 426.259 4.526 50 0 IJAARN C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000009540346 569545790 /nfs/dbraw/zinc/54/57/90/569545790.db2.gz KXBWKHJQOUNDAT-XMEDORATSA-N 0 0 432.564 4.568 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(F)c(F)c1F ZINC000009545630 569546133 /nfs/dbraw/zinc/54/61/33/569546133.db2.gz CYAYLNJPEONWOQ-UHFFFAOYSA-N 0 0 440.756 4.550 50 0 IJAARN COc1cccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2OC)c2ccccc2)c1 ZINC000009547181 569546389 /nfs/dbraw/zinc/54/63/89/569546389.db2.gz FJNHLVFOQKQCDP-QFIPXVFZSA-N 0 0 446.532 4.757 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2c(F)cccc2F)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559020 569546908 /nfs/dbraw/zinc/54/69/08/569546908.db2.gz VZTSCFHHTLEEJB-UHFFFAOYSA-N 0 0 448.491 4.585 50 0 IJAARN CCC[C@H](C)NC(=O)Cn1c2ccccc2nc1[C@H](CC(C)C)NC(=O)c1ccccc1 ZINC000009561876 569547220 /nfs/dbraw/zinc/54/72/20/569547220.db2.gz MYEHDGAIXSGQCO-UGKGYDQZSA-N 0 0 434.584 4.858 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1Br ZINC000009572948 569547773 /nfs/dbraw/zinc/54/77/73/569547773.db2.gz XGACNACUNBGDDD-UHFFFAOYSA-N 0 0 432.343 4.630 50 0 IJAARN Cc1occc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000009575985 569548019 /nfs/dbraw/zinc/54/80/19/569548019.db2.gz NVNQLCLKKFAWMP-INIZCTEOSA-N 0 0 431.901 4.605 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1 ZINC000009578174 569548286 /nfs/dbraw/zinc/54/82/86/569548286.db2.gz DJRMWHPFOWFZEW-UHFFFAOYSA-N 0 0 440.525 4.716 50 0 IJAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2)c1ccco1 ZINC000070638580 569549036 /nfs/dbraw/zinc/54/90/36/569549036.db2.gz WLTDSRYSACZYAK-UHFFFAOYSA-N 0 0 437.308 4.885 50 0 IJAARN CC(=O)N1N=C(c2ccccc2I)O[C@@H]1c1ccc2ccccc2c1 ZINC000009585890 569549557 /nfs/dbraw/zinc/54/95/57/569549557.db2.gz JTCAZJFQYSZIMG-HXUWFJFHSA-N 0 0 442.256 4.684 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc32)c1 ZINC000009587831 569549831 /nfs/dbraw/zinc/54/98/31/569549831.db2.gz DECYPPLAJQFFOU-UHFFFAOYSA-N 0 0 428.488 4.761 50 0 IJAARN Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000009591789 569550211 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COc1cccc(-c2nc(COC(=O)COc3ccc(Cl)c(C)c3)cs2)c1OC ZINC000009780543 569567488 /nfs/dbraw/zinc/56/74/88/569567488.db2.gz XCAOTLRRGVIFHK-UHFFFAOYSA-N 0 0 433.913 4.911 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cnc4ccccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000009780757 569567519 /nfs/dbraw/zinc/56/75/19/569567519.db2.gz RXSOMNMKCQNZFM-DQEYMECFSA-N 0 0 437.499 4.793 50 0 IJAARN CS(=O)(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000009781634 569567640 /nfs/dbraw/zinc/56/76/40/569567640.db2.gz INSYAXJUKFRMIH-DEOSSOPVSA-N 0 0 442.544 4.650 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009788776 569567955 /nfs/dbraw/zinc/56/79/55/569567955.db2.gz IVNZCOZJTSCHHA-NRFANRHFSA-N 0 0 439.537 4.859 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccnn1C1CCCC1 ZINC000009795865 569568439 /nfs/dbraw/zinc/56/84/39/569568439.db2.gz BUQPUBPMMIWVOU-UHFFFAOYSA-N 0 0 434.525 4.570 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000009799150 569568561 /nfs/dbraw/zinc/56/85/61/569568561.db2.gz NTTRVASUBNHTLY-UHFFFAOYSA-N 0 0 443.455 4.719 50 0 IJAARN Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cs2)cc1 ZINC000009805642 569568762 /nfs/dbraw/zinc/56/87/62/569568762.db2.gz OCTUDGWSLWHXDH-UHFFFAOYSA-N 0 0 431.311 4.997 50 0 IJAARN Cn1c(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)nnc1C1CC1 ZINC000009815590 569569202 /nfs/dbraw/zinc/56/92/02/569569202.db2.gz HQNDPFOFUQCZQW-QGZVFWFLSA-N 0 0 447.520 4.502 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(C)n1C1CC1 ZINC000009815763 569569206 /nfs/dbraw/zinc/56/92/06/569569206.db2.gz XHQMIAKJDSJCOU-UHFFFAOYSA-N 0 0 433.537 4.710 50 0 IJAARN Cc1sc2[nH]c(CSc3nnc(NC4CC4)s3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000009815842 569569211 /nfs/dbraw/zinc/56/92/11/569569211.db2.gz XTBSEQCNNJOPNK-UHFFFAOYSA-N 0 0 441.607 4.987 50 0 IJAARN O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)Nc1ccccc1Cl ZINC000009820678 569569463 /nfs/dbraw/zinc/56/94/63/569569463.db2.gz TXLQYNWNGFDAQC-UHFFFAOYSA-N 0 0 442.906 4.692 50 0 IJAARN CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1cccc(Cl)c1 ZINC000009822541 569569529 /nfs/dbraw/zinc/56/95/29/569569529.db2.gz AHAISCAQXWSWJK-CYBMUJFWSA-N 0 0 446.960 4.713 50 0 IJAARN CCc1ccc(Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2S(=O)(=O)CC)cc1 ZINC000009824723 569569612 /nfs/dbraw/zinc/56/96/12/569569612.db2.gz PGWFMFWCQPJHNV-UHFFFAOYSA-N 0 0 428.579 4.969 50 0 IJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3ccco3)CC2)c1 ZINC000009847676 569571177 /nfs/dbraw/zinc/57/11/77/569571177.db2.gz QHCPUGBGILDEFX-UHFFFAOYSA-N 0 0 442.563 4.827 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000009855607 569571538 /nfs/dbraw/zinc/57/15/38/569571538.db2.gz CRNLEOJMCZZDLB-UHFFFAOYSA-N 0 0 430.891 4.833 50 0 IJAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000009885143 569572873 /nfs/dbraw/zinc/57/28/73/569572873.db2.gz YVBLSRGVWLOYMN-OAHLLOKOSA-N 0 0 426.973 4.654 50 0 IJAARN C[C@@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)Nc1ccccc1 ZINC000009892751 569573010 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C[C@@H]1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c2ccccc2S1 ZINC000009951590 569574509 /nfs/dbraw/zinc/57/45/09/569574509.db2.gz MBBFLENGBVOOAN-MRXNPFEDSA-N 0 0 447.589 4.825 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCCC2)cc1 ZINC000009951588 569574536 /nfs/dbraw/zinc/57/45/36/569574536.db2.gz GLEFMKNARKIYCY-GOSISDBHSA-N 0 0 427.595 4.756 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000009951990 569574595 /nfs/dbraw/zinc/57/45/95/569574595.db2.gz ZXICKWSSRHKRFN-HOTGVXAUSA-N 0 0 426.611 4.960 50 0 IJAARN Cc1cccn2cc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCC5)nc12 ZINC000009957764 569574828 /nfs/dbraw/zinc/57/48/28/569574828.db2.gz LPDAYZORRUXDBP-UHFFFAOYSA-N 0 0 448.573 4.836 50 0 IJAARN O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc2c(c1)OCO2 ZINC000071327608 569575303 /nfs/dbraw/zinc/57/53/03/569575303.db2.gz XLNVMKSCZMBZNQ-UHFFFAOYSA-N 0 0 444.484 4.806 50 0 IJAARN O=c1c2sccc2nc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 ZINC000071327557 569575343 /nfs/dbraw/zinc/57/53/43/569575343.db2.gz YESGFIJOVCDQLT-UHFFFAOYSA-N 0 0 430.501 4.956 50 0 IJAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1cc(F)ccc1Cl ZINC000071327926 569575409 /nfs/dbraw/zinc/57/54/09/569575409.db2.gz RQRBUOUDTVOQKJ-UHFFFAOYSA-N 0 0 427.907 4.656 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 ZINC000071327932 569575437 /nfs/dbraw/zinc/57/54/37/569575437.db2.gz OCLFXUBJFLWBDS-UHFFFAOYSA-N 0 0 439.943 4.525 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1OC ZINC000009970156 569576185 /nfs/dbraw/zinc/57/61/85/569576185.db2.gz LCXQNEPVWNVJJB-QHCPKHFHSA-N 0 0 448.544 4.913 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000010035626 569577409 /nfs/dbraw/zinc/57/74/09/569577409.db2.gz PGJICFLKCCQTFK-UHFFFAOYSA-N 0 0 429.520 4.947 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186916 569578518 /nfs/dbraw/zinc/57/85/18/569578518.db2.gz FSTKTULOODUYDO-UHFFFAOYSA-N 0 0 434.970 4.594 50 0 IJAARN O=C([C@H]1COc2ccccc2O1)N(Cc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000010187578 569578561 /nfs/dbraw/zinc/57/85/61/569578561.db2.gz MHAJOVWFUIWFMR-GOSISDBHSA-N 0 0 437.908 4.718 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc21 ZINC000010187679 569578657 /nfs/dbraw/zinc/57/86/57/569578657.db2.gz URMMQRPJERFSLT-UHFFFAOYSA-N 0 0 433.533 4.875 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000010233046 569579432 /nfs/dbraw/zinc/57/94/32/569579432.db2.gz OJLLNOYOVOFPMN-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN Cc1ccc(C(=O)NCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1C ZINC000010235900 569579700 /nfs/dbraw/zinc/57/97/00/569579700.db2.gz GJVRNXZHESGPSF-UHFFFAOYSA-N 0 0 441.984 4.703 50 0 IJAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCc2ccccn2)cc1OC ZINC000010245053 569579754 /nfs/dbraw/zinc/57/97/54/569579754.db2.gz VVQQJLNNTZQTKP-UHFFFAOYSA-N 0 0 444.516 4.572 50 0 IJAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000010252644 569579905 /nfs/dbraw/zinc/57/99/05/569579905.db2.gz OSSJIWQBGKGNEF-UHFFFAOYSA-N 0 0 447.390 4.763 50 0 IJAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000010253619 569579960 /nfs/dbraw/zinc/57/99/60/569579960.db2.gz FDKNKJWJZZVFGU-UHFFFAOYSA-N 0 0 443.575 4.854 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1 ZINC000071769083 569580827 /nfs/dbraw/zinc/58/08/27/569580827.db2.gz SGIGVJQIHIHSMC-UHFFFAOYSA-N 0 0 435.549 4.707 50 0 IJAARN Clc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)c1 ZINC000010337120 569581187 /nfs/dbraw/zinc/58/11/87/569581187.db2.gz JJBOCXGMUDQVLG-RTWAWAEBSA-N 0 0 449.301 4.935 50 0 IJAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc3c(cc2Cl)OCCO3)c1C ZINC000010348179 569581442 /nfs/dbraw/zinc/58/14/42/569581442.db2.gz KCQMLTYEJKXHJD-UHFFFAOYSA-N 0 0 429.929 4.645 50 0 IJAARN COc1cccc(C(=O)N(CCCn2ccnc2)c2nc3ccc(C)cc3s2)c1OC ZINC000010381569 569581655 /nfs/dbraw/zinc/58/16/55/569581655.db2.gz GURXSMYIVPGWPO-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4N4CCCC4=O)cc3)cn2c1 ZINC000010393109 569581878 /nfs/dbraw/zinc/58/18/78/569581878.db2.gz WJNOQCISFIHUIQ-UHFFFAOYSA-N 0 0 440.503 4.601 50 0 IJAARN COc1ccc(C(=O)N2C(=S)C(c3cc(OC)cc(OC)c3)=NC23CCCCC3)cc1 ZINC000010433635 569582081 /nfs/dbraw/zinc/58/20/81/569582081.db2.gz PRCKQVUOJSCNOD-UHFFFAOYSA-N 0 0 438.549 4.645 50 0 IJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccco3)C2)cc1 ZINC000010435168 569582204 /nfs/dbraw/zinc/58/22/04/569582204.db2.gz UWJNOVZMJRCKOY-QHCPKHFHSA-N 0 0 426.476 4.839 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)C1CCCC1 ZINC000036051307 569583914 /nfs/dbraw/zinc/58/39/14/569583914.db2.gz NXQCMBZLHODNCG-UHFFFAOYSA-N 0 0 444.579 5.133 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)sc2c1 ZINC000012802186 569584914 /nfs/dbraw/zinc/58/49/14/569584914.db2.gz TVIUVPUJLUXVKH-UHFFFAOYSA-N 0 0 449.513 4.760 50 0 IJAARN COc1ccc(-c2cc(N3CCC[C@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)cc1 ZINC000077191902 569585966 /nfs/dbraw/zinc/58/59/66/569585966.db2.gz VGQQEZDZXGDHNS-KRWDZBQOSA-N 0 0 445.548 4.617 50 0 IJAARN COc1cccc(C(=O)N2CCCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000021780500 569587137 /nfs/dbraw/zinc/58/71/37/569587137.db2.gz NMQIRCNCNQYSLW-UHFFFAOYSA-N 0 0 434.927 4.502 50 0 IJAARN CCCCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000004121997 534954628 /nfs/dbraw/zinc/95/46/28/534954628.db2.gz OAFJBNCFLNLIMH-UHFFFAOYSA-N 0 0 427.417 4.837 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc(C)c(Cl)c2)CC1 ZINC000009835349 193901621 /nfs/dbraw/zinc/90/16/21/193901621.db2.gz HMUYQGAQEOZEAR-NRFANRHFSA-N 0 0 427.932 4.836 50 0 IJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(NCc4ccccc4Cl)n3n2)n1 ZINC000009831093 193898300 /nfs/dbraw/zinc/89/83/00/193898300.db2.gz HKPBOOXRRRSYDG-UHFFFAOYSA-N 0 0 431.931 4.599 50 0 IJAARN O=C(Nc1ccc(F)cc1Br)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364537 193926583 /nfs/dbraw/zinc/92/65/83/193926583.db2.gz SDRCNHCHTBFLSK-HNNXBMFYSA-N 0 0 427.273 4.747 50 0 IJAARN CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1 ZINC000000717289 132229841 /nfs/dbraw/zinc/22/98/41/132229841.db2.gz GQHCTHZXUUDPTB-UHFFFAOYSA-N 0 0 433.321 4.533 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc2ccccc21 ZINC000000807629 132230737 /nfs/dbraw/zinc/23/07/37/132230737.db2.gz FPJFUKJKZGJPGP-UHFFFAOYSA-N 0 0 425.488 4.648 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc(Cl)c2)s1)N1CCCc2ccccc21 ZINC000009366316 132231195 /nfs/dbraw/zinc/23/11/95/132231195.db2.gz ZEBGOMQIWALMHU-UHFFFAOYSA-N 0 0 444.969 4.515 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000001144533 132237247 /nfs/dbraw/zinc/23/72/47/132237247.db2.gz XDBMLKXRSOBQOI-UHFFFAOYSA-N 0 0 436.474 4.991 50 0 IJAARN CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000001171019 132238287 /nfs/dbraw/zinc/23/82/87/132238287.db2.gz ZRDSQYPMLWJCAF-UHFFFAOYSA-N 0 0 449.503 4.530 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(Br)o1 ZINC000010186592 132242873 /nfs/dbraw/zinc/24/28/73/132242873.db2.gz IUVYTNJABKACON-UHFFFAOYSA-N 0 0 427.302 4.742 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000010220783 132243895 /nfs/dbraw/zinc/24/38/95/132243895.db2.gz YYEXIBMHXQWXNZ-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccccc1OC ZINC000001438166 132245358 /nfs/dbraw/zinc/24/53/58/132245358.db2.gz ZLZDZWPBHLNBFF-UHFFFAOYSA-N 0 0 435.520 4.810 50 0 IJAARN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000001473019 132245890 /nfs/dbraw/zinc/24/58/90/132245890.db2.gz QAADOXWYWOGYIG-UHFFFAOYSA-N 0 0 439.350 4.508 50 0 IJAARN Clc1cccc(N2CCN(c3ncnc4c5cc(Br)ccc5[nH]c43)CC2)c1 ZINC000002212595 132249020 /nfs/dbraw/zinc/24/90/20/132249020.db2.gz HRGCLRXPJWOWCU-UHFFFAOYSA-N 0 0 442.748 4.854 50 0 IJAARN Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000002381077 132253337 /nfs/dbraw/zinc/25/33/37/132253337.db2.gz WOMORYUHHKWFJP-UHFFFAOYSA-N 0 0 425.891 4.937 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002626665 132255510 /nfs/dbraw/zinc/25/55/10/132255510.db2.gz VOLJJTQLYXFYRH-UHFFFAOYSA-N 0 0 431.414 4.758 50 0 IJAARN CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 ZINC000002774734 132257123 /nfs/dbraw/zinc/25/71/23/132257123.db2.gz FTNVACSYWFUHSL-UHFFFAOYSA-N 0 0 435.520 4.810 50 0 IJAARN Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2N2CCN(c3ccccc3F)CC2)n1 ZINC000008591236 132283984 /nfs/dbraw/zinc/28/39/84/132283984.db2.gz LTPBQPDNFJLBNY-UHFFFAOYSA-N 0 0 436.922 4.551 50 0 IJAARN Cc1ccc(-c2nc3nc(C)cc(N4CCN(c5cc(Cl)ccc5C)CC4)n3n2)cc1 ZINC000008594599 132284693 /nfs/dbraw/zinc/28/46/93/132284693.db2.gz SDJFEKMSDFOXQR-UHFFFAOYSA-N 0 0 432.959 4.697 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCCC[C@H]4C)c(F)cc3c2=O)c1 ZINC000008596881 132285257 /nfs/dbraw/zinc/28/52/57/132285257.db2.gz RJCVHJZJWXLWES-QGZVFWFLSA-N 0 0 442.556 4.506 50 0 IJAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)c1 ZINC000008598035 132285730 /nfs/dbraw/zinc/28/57/30/132285730.db2.gz CNDMFDJJWXLECN-UHFFFAOYSA-N 0 0 437.609 4.565 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CCN(c2ccccc2)CC1 ZINC000008604390 132287066 /nfs/dbraw/zinc/28/70/66/132287066.db2.gz IAOXECYKPHYZEF-UHFFFAOYSA-N 0 0 447.579 4.900 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000008608655 132287590 /nfs/dbraw/zinc/28/75/90/132287590.db2.gz PTUUKZYDVMIPDR-UHFFFAOYSA-N 0 0 430.526 4.589 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 ZINC000008608653 132287626 /nfs/dbraw/zinc/28/76/26/132287626.db2.gz LXVYIALOLPBIPY-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 aggregator IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cccc2ccccc21 ZINC000008670948 132289866 /nfs/dbraw/zinc/28/98/66/132289866.db2.gz MAUGWXQTENMHOE-UHFFFAOYSA-N 0 0 434.536 4.655 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)CC1 ZINC000008690985 132290836 /nfs/dbraw/zinc/29/08/36/132290836.db2.gz HMUKBHNROCMNOF-UHFFFAOYSA-N 0 0 435.955 4.738 50 0 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Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2cccs2)cc1 ZINC000009125631 132305166 /nfs/dbraw/zinc/30/51/66/132305166.db2.gz NBLUEIZKDZHCFX-QFBILLFUSA-N 0 0 438.578 4.908 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCc2ccccc2C1 ZINC000009250406 132310822 /nfs/dbraw/zinc/31/08/22/132310822.db2.gz PBUOBZOWZSJFJG-UHFFFAOYSA-N 0 0 446.572 4.571 50 0 IJAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc2)c1 ZINC000009412385 132316216 /nfs/dbraw/zinc/31/62/16/132316216.db2.gz NWCNBNZQFYQBMW-UHFFFAOYSA-N 0 0 436.533 4.752 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(Cl)cc1 ZINC000009529560 132320688 /nfs/dbraw/zinc/32/06/88/132320688.db2.gz WGDCKOFOTHUNLT-UHFFFAOYSA-N 0 0 428.945 4.588 50 0 IJAARN CCOc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1c(OC)cc(Br)cc12 ZINC000009559350 132321300 /nfs/dbraw/zinc/32/13/00/132321300.db2.gz OTMWMBSMWMZAFY-JLTOFOAXSA-N 0 0 433.302 4.626 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccccc1Cl ZINC000009569393 132321816 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4.688 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)c1 ZINC000009883323 132330971 /nfs/dbraw/zinc/33/09/71/132330971.db2.gz XKHSLRLJANNWQD-MHZLTWQESA-N 0 0 443.591 4.952 50 0 IJAARN C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009913067 132331760 /nfs/dbraw/zinc/33/17/60/132331760.db2.gz JPQBWUXUWYWMMU-CYBMUJFWSA-N 0 0 427.854 4.635 50 0 IJAARN CN(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000009952010 132332717 /nfs/dbraw/zinc/33/27/17/132332717.db2.gz SSHSZQZMWGTTRR-UHFFFAOYSA-N 0 0 447.604 4.745 50 0 IJAARN CCOc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000010273004 132335368 /nfs/dbraw/zinc/33/53/68/132335368.db2.gz DPGVHJJCADQBOA-UHFFFAOYSA-N 0 0 426.469 4.560 50 0 IJAARN O=C1N(Cc2ccc(F)cc2Cl)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 ZINC000010273504 132335523 /nfs/dbraw/zinc/33/55/23/132335523.db2.gz HWRLJTFIFIJNAV-UHFFFAOYSA-N 0 0 434.851 4.954 50 0 IJAARN COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc(OC)c1Br ZINC000010899887 132336630 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4.558 50 0 IJAARN CC(=O)c1ccc(-c2ccc([C@H]3NC(=S)NC(C)=C3C(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000012565728 518296331 /nfs/dbraw/zinc/29/63/31/518296331.db2.gz GJACRGHHYVRNOU-JOCHJYFZSA-N 0 0 449.507 4.720 50 0 IJAARN CC(=O)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000012821677 518391695 /nfs/dbraw/zinc/39/16/95/518391695.db2.gz BOWDTGNEXZPPBZ-UHFFFAOYSA-N 0 0 428.282 4.607 50 0 IJAARN C=CCOc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)c(OCC=C)c1 ZINC000002081063 519013377 /nfs/dbraw/zinc/01/33/77/519013377.db2.gz GGZTVOZCPFGKDD-CPNJWEJPSA-N 0 0 440.293 4.923 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012681057 519482315 /nfs/dbraw/zinc/48/23/15/519482315.db2.gz FEODFWDOAPOSOC-HSZRJFAPSA-N 0 0 441.535 4.574 50 0 IJAARN CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000012381907 519514380 /nfs/dbraw/zinc/51/43/80/519514380.db2.gz MGJIKKLPQUBKLN-LLVKDONJSA-N 0 0 437.607 4.748 50 0 IJAARN CC(C)N(C(=O)COC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000012523214 519556338 /nfs/dbraw/zinc/55/63/38/519556338.db2.gz RZUBIJCJHGHLKM-UHFFFAOYSA-N 0 0 446.507 4.519 50 0 IJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3cccc4ccccc43)CCC(=O)N2)C1 ZINC000012183412 519609587 /nfs/dbraw/zinc/60/95/87/519609587.db2.gz QQASOJIBOUOODH-QDPGVEIFSA-N 0 0 448.607 4.665 50 0 IJAARN CC(C)CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012869874 519652949 /nfs/dbraw/zinc/65/29/49/519652949.db2.gz YERCQOBOJFQDQM-SIBVEZHUSA-N 0 0 449.982 4.899 50 0 biogenic IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021865243 519653296 /nfs/dbraw/zinc/65/32/96/519653296.db2.gz VTPWCUNKCPOBGP-YKFMDHBFSA-N 0 0 439.600 4.950 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1C1CCCCC1 ZINC000021911871 519659744 /nfs/dbraw/zinc/65/97/44/519659744.db2.gz PNYOWCBPZHRPPA-QFIPXVFZSA-N 0 0 427.614 4.649 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1CCCc1ccccc1 ZINC000021864676 519659996 /nfs/dbraw/zinc/65/99/96/519659996.db2.gz DUHAVTDPLTZBAH-HHHXNRCGSA-N 0 0 447.579 4.758 50 0 IJAARN CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000012137153 519718559 /nfs/dbraw/zinc/71/85/59/519718559.db2.gz GWUYXLUHTYJATM-UHFFFAOYSA-N 0 0 441.325 4.758 50 0 IJAARN CC(=O)Oc1cc2c(cc1Cl)[C@]1(C[C@@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 ZINC000001025540 519758726 /nfs/dbraw/zinc/75/87/26/519758726.db2.gz KBGCHKOUMZJVDC-UGKGYDQZSA-N 0 0 430.957 4.631 50 0 IJAARN CC(C)Oc1ccccc1-c1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1 ZINC000020808012 519783808 /nfs/dbraw/zinc/78/38/08/519783808.db2.gz GBWAYKDGOJBROQ-UHFFFAOYSA-N 0 0 432.343 4.996 50 0 IJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[nH]c(=O)c21 ZINC000021784549 519784894 /nfs/dbraw/zinc/78/48/94/519784894.db2.gz URXYFQXXPDNVFI-INIZCTEOSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000012126121 519831003 /nfs/dbraw/zinc/83/10/03/519831003.db2.gz LDCQFEADEUOTPZ-UHFFFAOYSA-N 0 0 432.311 4.516 50 0 IJAARN CC(C)c1ccc([C@]2(C)NC(=O)N(CN3CCC[C@H]3c3nc4ccccc4s3)C2=O)cc1 ZINC000239347154 519840516 /nfs/dbraw/zinc/84/05/16/519840516.db2.gz MFIAJOLUGWMDTA-CPJSRVTESA-N 0 0 448.592 4.981 50 0 IJAARN CCCC(=O)Nc1ccc2nc(SCc3cc(=O)n4c(C)csc4n3)sc2c1 ZINC000020984183 519878896 /nfs/dbraw/zinc/87/88/96/519878896.db2.gz IPPSEOYNFVHBGK-UHFFFAOYSA-N 0 0 430.580 4.705 50 0 IJAARN CCCC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc4ccccc43)cc12 ZINC000015780259 519881447 /nfs/dbraw/zinc/88/14/47/519881447.db2.gz SCQSQJMBBGXKGB-UHFFFAOYSA-N 0 0 430.460 4.745 50 0 IJAARN CCCCCCC(=O)Nc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OC(C)C)cc1 ZINC000035729565 519959177 /nfs/dbraw/zinc/95/91/77/519959177.db2.gz BSHZDTYCFBVSFY-NRFANRHFSA-N 0 0 431.602 4.682 50 0 IJAARN CC(C)n1ncc2cc(C(=O)OCc3csc(COc4ccc(F)cc4)n3)cnc21 ZINC000012823067 520082448 /nfs/dbraw/zinc/08/24/48/520082448.db2.gz QTCWFEQQKTYREY-UHFFFAOYSA-N 0 0 426.473 4.544 50 0 IJAARN CCOP(=O)(CN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1OC)OCC ZINC000020680648 520240616 /nfs/dbraw/zinc/24/06/16/520240616.db2.gz UTRLXKWJNHZNOS-UHFFFAOYSA-N 0 0 436.445 4.962 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccnc1Sc1ccccc1 ZINC000012853785 520352440 /nfs/dbraw/zinc/35/24/40/520352440.db2.gz SPKQXMUSWYHNQL-UHFFFAOYSA-N 0 0 427.476 4.612 50 0 IJAARN CCNc1nc2c(s1)[C@@H](c1ccc(OC)c(CSc3ccccn3)c1)CC(=O)N2 ZINC000035327343 520359319 /nfs/dbraw/zinc/35/93/19/520359319.db2.gz NSLKHCFFWQTPLK-OAHLLOKOSA-N 0 0 426.567 4.745 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccccc1C ZINC000036046049 520373457 /nfs/dbraw/zinc/37/34/57/520373457.db2.gz LOKLSXLZBTVILN-UHFFFAOYSA-N 0 0 438.531 4.949 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccccc1OCC ZINC000001107191 520543257 /nfs/dbraw/zinc/54/32/57/520543257.db2.gz QIMNPOBYSMUNDJ-UHFFFAOYSA-N 0 0 435.520 4.892 50 0 IJAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000012746945 520593252 /nfs/dbraw/zinc/59/32/52/520593252.db2.gz VCQGZRGTXHVWRE-DXRVJIQQSA-N 0 0 442.943 4.638 50 0 IJAARN CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 ZINC000032986438 520614342 /nfs/dbraw/zinc/61/43/42/520614342.db2.gz ILZHLTBNBUUEIF-UHFFFAOYSA-N 0 0 426.472 4.959 50 0 IJAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OC(C)C ZINC000008396359 520625455 /nfs/dbraw/zinc/62/54/55/520625455.db2.gz LZUUDHWVCZSLFQ-VCHYOVAHSA-N 0 0 432.879 4.758 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716533 520634281 /nfs/dbraw/zinc/63/42/81/520634281.db2.gz BJGIRDOYKDYFEI-GMAHTHKFSA-N 0 0 425.548 4.713 50 0 IJAARN CC(C)(C)C(=O)N[C@H](CC(=O)N1CCN(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000008763237 534516186 /nfs/dbraw/zinc/51/61/86/534516186.db2.gz TVSDOSQWEKQJDR-RUZDIDTESA-N 0 0 443.591 4.782 50 0 IJAARN CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033265480 520782386 /nfs/dbraw/zinc/78/23/86/520782386.db2.gz FQUGVPJFFRQLCN-HSZRJFAPSA-N 0 0 449.576 4.595 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)/C=C/c1ccc(OCc3cccnc3)cc1)O[C@H](C)C2 ZINC000012536357 520790641 /nfs/dbraw/zinc/79/06/41/520790641.db2.gz HRIXWGNYNCTGLQ-UFUQCMIWSA-N 0 0 444.531 4.712 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000014505710 520792868 /nfs/dbraw/zinc/79/28/68/520792868.db2.gz DZNFYIMAEQIQTL-UHFFFAOYSA-N 0 0 439.562 4.732 50 0 IJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)cc1Br)O[C@H](C)C2 ZINC000012739799 520796099 /nfs/dbraw/zinc/79/60/99/520796099.db2.gz PSVMIFDKJVJPAK-KGLIPLIRSA-N 0 0 433.346 4.919 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C(=O)N1CC2 ZINC000021151270 520800120 /nfs/dbraw/zinc/80/01/20/520800120.db2.gz DXVPQHPWPWBJNN-GOSISDBHSA-N 0 0 432.879 4.733 50 0 IJAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NC)c3-c2ccccc2)cc1OCC ZINC000021914012 520803074 /nfs/dbraw/zinc/80/30/74/520803074.db2.gz VDZOKWYOSJDLHE-UHFFFAOYSA-N 0 0 430.508 4.529 50 0 IJAARN CCOc1ccc(-c2cc(NC(=O)COCc3cc(-c4cccs4)on3)on2)cc1 ZINC000021528201 520806993 /nfs/dbraw/zinc/80/69/93/520806993.db2.gz FXZDTYJMJCBAIP-UHFFFAOYSA-N 0 0 425.466 4.612 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)c2ccco2)c1 ZINC000012774623 520807205 /nfs/dbraw/zinc/80/72/05/520807205.db2.gz JHZJCCRYZHHSBF-UHFFFAOYSA-N 0 0 428.510 4.663 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(=O)(=O)CC)cs2)cc1OC ZINC000021908548 520813294 /nfs/dbraw/zinc/81/32/94/520813294.db2.gz QIRPJODFKBEZPO-UHFFFAOYSA-N 0 0 444.578 4.597 50 0 IJAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4)CC3)c(C)o2)cc1 ZINC000033085235 520815032 /nfs/dbraw/zinc/81/50/32/520815032.db2.gz WMYMDHHPWSKKLL-UHFFFAOYSA-N 0 0 434.540 4.707 50 0 IJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(N(C)C)cc5)nn4cnc32)cc1 ZINC000021801416 520830957 /nfs/dbraw/zinc/83/09/57/520830957.db2.gz KQTSOVWPWMVVNW-UHFFFAOYSA-N 0 0 426.524 4.817 50 0 IJAARN CCOc1ccc(-n2nc(C(=O)N(C)c3ccc(Cl)cc3)c3ccccc3c2=O)cc1 ZINC000020804900 520838997 /nfs/dbraw/zinc/83/89/97/520838997.db2.gz FBAYNFHZVIGVTD-UHFFFAOYSA-N 0 0 433.895 4.714 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccccc1Cl ZINC000012413276 520843027 /nfs/dbraw/zinc/84/30/27/520843027.db2.gz SROUFEHIVUIMIE-QGZVFWFLSA-N 0 0 434.275 4.524 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)o2)cc1 ZINC000012556313 520878597 /nfs/dbraw/zinc/87/85/97/520878597.db2.gz XDILZSYTHUFSAS-CYBMUJFWSA-N 0 0 431.949 4.751 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1Br ZINC000001173654 520901953 /nfs/dbraw/zinc/90/19/53/520901953.db2.gz VSQQUTGONAUKCB-UHFFFAOYSA-N 0 0 447.276 4.993 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035429433 520918782 /nfs/dbraw/zinc/91/87/82/520918782.db2.gz ZUOBFWYWEAHMHD-UHFFFAOYSA-N 0 0 435.505 4.539 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1OCC ZINC000035399428 520934696 /nfs/dbraw/zinc/93/46/96/520934696.db2.gz SEOSMQUEDGIKBV-UHFFFAOYSA-N 0 0 445.563 4.761 50 0 biogenic IJAARN CCOC(=O)N1CCN(C(=O)C[C@@H](c2cn(CC)c3ccccc23)c2ccc(C)cc2)CC1 ZINC000035872132 520945170 /nfs/dbraw/zinc/94/51/70/520945170.db2.gz OUZLSQOUBABQGQ-HSZRJFAPSA-N 0 0 447.579 4.792 50 0 IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CCCc2ccccc2)CC1 ZINC000021810924 520951435 /nfs/dbraw/zinc/95/14/35/520951435.db2.gz HCYLLSIRXHUVRV-GASOQUEOSA-N 0 0 447.579 4.777 50 0 IJAARN CCC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1 ZINC000012791947 520979470 /nfs/dbraw/zinc/97/94/70/520979470.db2.gz YRIWBOHHAVUTKK-BAOGPQIGSA-N 0 0 426.513 4.562 50 0 IJAARN C=C1C(NCCCN(CC)c2cccc(C)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465729 521022392 /nfs/dbraw/zinc/02/23/92/521022392.db2.gz BVZQMFPHHAHPAT-UHFFFAOYSA-N 0 0 425.598 4.591 50 0 IJAARN CC1CCN(c2nc3ncnc(SCC(=O)Nc4ccc(Cl)cc4)c3s2)CC1 ZINC000035533218 521047985 /nfs/dbraw/zinc/04/79/85/521047985.db2.gz DOUZKYXFGJYMLG-UHFFFAOYSA-N 0 0 433.990 4.707 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C1CC1 ZINC000036061078 521085099 /nfs/dbraw/zinc/08/50/99/521085099.db2.gz KSKSMYKDBNYBIO-UHFFFAOYSA-N 0 0 446.551 4.504 50 0 IJAARN CCOc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 ZINC000035672709 521123179 /nfs/dbraw/zinc/12/31/79/521123179.db2.gz MHPPLFZWOZUIQK-UHFFFAOYSA-N 0 0 433.533 4.660 50 0 IJAARN CCOc1ccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 ZINC000012137619 521124575 /nfs/dbraw/zinc/12/45/75/521124575.db2.gz RHFLKTQAGLHOHT-UHFFFAOYSA-N 0 0 436.533 4.670 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000035684042 521166668 /nfs/dbraw/zinc/16/66/68/521166668.db2.gz AUNAENDQDHCUJT-QHCPKHFHSA-N 0 0 433.533 4.575 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531071 521169293 /nfs/dbraw/zinc/16/92/93/521169293.db2.gz VHZSPLRSKFZCTG-DEOSSOPVSA-N 0 0 430.504 4.820 50 0 IJAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012718786 521178457 /nfs/dbraw/zinc/17/84/57/521178457.db2.gz RVZTWNLQNVKJOA-SANMLTNESA-N 0 0 437.536 4.607 50 0 IJAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)c2ccccc2)c1=O ZINC000020899816 521202228 /nfs/dbraw/zinc/20/22/28/521202228.db2.gz NJPPQMSWKXTITM-UHFFFAOYSA-N 0 0 425.488 4.603 50 0 IJAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCc3ccncc3)n2Cc2cccc(F)c2)c1 ZINC000036000200 521219436 /nfs/dbraw/zinc/21/94/36/521219436.db2.gz HJHNPPWXZQQLSA-UHFFFAOYSA-N 0 0 430.483 4.502 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)cc1 ZINC000012782816 521245808 /nfs/dbraw/zinc/24/58/08/521245808.db2.gz PLELOOVLBYQJOZ-QFIPXVFZSA-N 0 0 432.476 4.638 50 0 IJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)cc1OC ZINC000021525005 521273689 /nfs/dbraw/zinc/27/36/89/521273689.db2.gz WATSACAWXXQEAH-HSZRJFAPSA-N 0 0 437.565 4.925 50 0 IJAARN CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCC4)c3c2c1 ZINC000021541069 521310511 /nfs/dbraw/zinc/31/05/11/521310511.db2.gz HXLKFXOIFZLULD-UHFFFAOYSA-N 0 0 432.499 4.848 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)n1 ZINC000012887104 521346880 /nfs/dbraw/zinc/34/68/80/521346880.db2.gz YEHBYMOWQLNFHQ-CYBMUJFWSA-N 0 0 436.965 4.665 50 0 IJAARN CCOC(=O)[C@](NC(=O)Nc1ccccc1C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC000012412349 521347262 /nfs/dbraw/zinc/34/72/62/521347262.db2.gz XQUWEGZKOVVYQA-QGZVFWFLSA-N 0 0 434.336 4.848 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC2CC2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036003678 521363842 /nfs/dbraw/zinc/36/38/42/521363842.db2.gz FMRGBFPWFYJXAV-HNNXBMFYSA-N 0 0 430.932 4.585 50 0 IJAARN CCOC(=O)c1[nH]c(CSCC(=O)Nc2ccc(C(C)C)cc2)c(C(=O)OCC)c1C ZINC000012532793 521368256 /nfs/dbraw/zinc/36/82/56/521368256.db2.gz BBEUGIKKCZPLRO-UHFFFAOYSA-N 0 0 446.569 4.672 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(C)cc2)C2CCCCC2)c(C)n1C ZINC000036000592 521386324 /nfs/dbraw/zinc/38/63/24/521386324.db2.gz LAWKRXAJJUNGTF-UHFFFAOYSA-N 0 0 438.568 4.785 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000015680326 521413183 /nfs/dbraw/zinc/41/31/83/521413183.db2.gz FYZQUZFPDGZEOD-UHFFFAOYSA-N 0 0 441.553 4.710 50 0 IJAARN CCOc1ccccc1-c1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)on1 ZINC000021868288 521439849 /nfs/dbraw/zinc/43/98/49/521439849.db2.gz LETSZXLFXGBOTQ-UHFFFAOYSA-N 0 0 437.427 4.690 50 0 IJAARN CCOc1ccccc1-c1noc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)n1 ZINC000021731047 521442921 /nfs/dbraw/zinc/44/29/21/521442921.db2.gz INLXGGXERXJXFE-UHFFFAOYSA-N 0 0 445.504 4.659 50 0 IJAARN CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000012442324 521463710 /nfs/dbraw/zinc/46/37/10/521463710.db2.gz MHEUGOYGBUKTDU-UHFFFAOYSA-N 0 0 448.504 4.684 50 0 IJAARN CCC(CC)C(=O)N(CCOC)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000035944547 521484298 /nfs/dbraw/zinc/48/42/98/521484298.db2.gz UAKSLTYJWDSSRA-UHFFFAOYSA-N 0 0 443.563 4.555 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(F)cc1 ZINC000033764917 521532025 /nfs/dbraw/zinc/53/20/25/521532025.db2.gz LCODWRLYYVZJIB-UHFFFAOYSA-N 0 0 436.527 4.851 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000016650333 521533843 /nfs/dbraw/zinc/53/38/43/521533843.db2.gz FMNHRDRGBVKLAP-UHFFFAOYSA-N 0 0 434.536 4.678 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000035447781 521538785 /nfs/dbraw/zinc/53/87/85/521538785.db2.gz BUFVHWWWTURIMN-UHFFFAOYSA-N 0 0 429.524 4.630 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1 ZINC000021156969 521542424 /nfs/dbraw/zinc/54/24/24/521542424.db2.gz QNKNLVQPEAWURX-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035866082 521543486 /nfs/dbraw/zinc/54/34/86/521543486.db2.gz KXEMCUVRDKPWEP-INIZCTEOSA-N 0 0 426.630 4.607 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750447 521547780 /nfs/dbraw/zinc/54/77/80/521547780.db2.gz MZCHJNXYJNUAFQ-UQBPGWFLSA-N 0 0 441.535 4.697 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750458 521548368 /nfs/dbraw/zinc/54/83/68/521548368.db2.gz MZCHJNXYJNUAFQ-KBMIEXCESA-N 0 0 441.535 4.697 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)OCCCO2 ZINC000023532317 521551291 /nfs/dbraw/zinc/55/12/91/521551291.db2.gz CAMOIRLWGUKZCY-UHFFFAOYSA-N 0 0 437.323 4.646 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC000032960950 521555406 /nfs/dbraw/zinc/55/54/06/521555406.db2.gz XWASFGNBWZOBTF-CTNGQTDRSA-N 0 0 449.595 4.739 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000020445719 521573114 /nfs/dbraw/zinc/57/31/14/521573114.db2.gz WTTXUVXPLKQBMQ-RTBURBONSA-N 0 0 445.951 4.729 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385494 521601840 /nfs/dbraw/zinc/60/18/40/521601840.db2.gz YTOBDYVYLMKUMK-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012651163 521649883 /nfs/dbraw/zinc/64/98/83/521649883.db2.gz VILSKAGXQUXLEE-UHFFFAOYSA-N 0 0 446.657 4.834 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1C ZINC000012788112 521749185 /nfs/dbraw/zinc/74/91/85/521749185.db2.gz CNKLKUJRWYYOEK-QGZVFWFLSA-N 0 0 433.508 4.504 50 0 IJAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037396496 521751711 /nfs/dbraw/zinc/75/17/11/521751711.db2.gz WWXXGEDYFTYHJX-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN COc1c(Br)cc(Cl)cc1NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000012807081 521777261 /nfs/dbraw/zinc/77/72/61/521777261.db2.gz SKNWRDALVSRQDK-UHFFFAOYSA-N 0 0 442.722 4.794 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(I)cc1F ZINC000001068039 521840602 /nfs/dbraw/zinc/84/06/02/521840602.db2.gz MIYACVMGHLAIBU-UHFFFAOYSA-N 0 0 440.039 4.998 50 0 IJAARN CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2C12CCN(C(C)=O)CC2 ZINC000020864960 521892554 /nfs/dbraw/zinc/89/25/54/521892554.db2.gz JWBDBZYORHZBEC-UHFFFAOYSA-N 0 0 442.563 4.925 50 0 biogenic IJAARN CCc1ccccc1NC(=O)[C@H](CC)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563749 521902469 /nfs/dbraw/zinc/90/24/69/521902469.db2.gz UMKUAOWUAKVIOD-QFIPXVFZSA-N 0 0 443.551 4.660 50 0 IJAARN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(C(=O)Cc1ccsc1)C2 ZINC000014971988 521905719 /nfs/dbraw/zinc/90/57/19/521905719.db2.gz XFGNRFGGVDDOBB-UHFFFAOYSA-N 0 0 436.558 4.997 50 0 IJAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NCc1ccc(C)cc1 ZINC000033013207 521911913 /nfs/dbraw/zinc/91/19/13/521911913.db2.gz XHYODVFGWZGHGK-UHFFFAOYSA-N 0 0 443.503 4.724 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccc(Sc3nncn3C)cc2)ccc1OCC(C)C ZINC000012789944 521931777 /nfs/dbraw/zinc/93/17/77/521931777.db2.gz NLMMLQFTESVSRF-WUXMJOGZSA-N 0 0 438.553 4.662 50 0 IJAARN CN(C)S(=O)(=O)c1cc2c(cc1Oc1ccc(Cl)cc1)Oc1ccccc1NC2=O ZINC000035511630 521970546 /nfs/dbraw/zinc/97/05/46/521970546.db2.gz HHTHNGLAMPVGPH-UHFFFAOYSA-N 0 0 444.896 4.741 50 0 IJAARN COc1cc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc(OC)c1OC ZINC000012418542 522120686 /nfs/dbraw/zinc/12/06/86/522120686.db2.gz HAMFRAXZKJCKLD-RVCSHAMNSA-N 0 0 429.516 4.740 50 0 IJAARN CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)c(C)s2)cs1 ZINC000033308454 522143020 /nfs/dbraw/zinc/14/30/20/522143020.db2.gz MAWHRBBKXONMRP-UHFFFAOYSA-N 0 0 447.651 4.562 50 0 IJAARN COc1cc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc(Cl)c1OC ZINC000012628365 522144755 /nfs/dbraw/zinc/14/47/55/522144755.db2.gz OEXTZCCXRCWXIC-HXUWFJFHSA-N 0 0 449.938 4.958 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012197029 522167516 /nfs/dbraw/zinc/16/75/16/522167516.db2.gz YDAYZMPDKSUZAB-ZCYQVOJMSA-N 0 0 444.487 4.733 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012197032 522173661 /nfs/dbraw/zinc/17/36/61/522173661.db2.gz YDAYZMPDKSUZAB-UKILVPOCSA-N 0 0 444.487 4.733 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033114200 522218805 /nfs/dbraw/zinc/21/88/05/522218805.db2.gz VQCNGHCUFBSRBP-CYBMUJFWSA-N 0 0 444.944 4.551 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035928472 522219150 /nfs/dbraw/zinc/21/91/50/522219150.db2.gz OPUHDNXYPRRHIE-DEOSSOPVSA-N 0 0 435.524 4.923 50 0 IJAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000020734444 522230115 /nfs/dbraw/zinc/23/01/15/522230115.db2.gz LRWJZNQPUZVYQO-IBGZPJMESA-N 0 0 445.306 4.683 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N ZINC000012249683 522284587 /nfs/dbraw/zinc/28/45/87/522284587.db2.gz XPXQGOOUYGCNAB-UHFFFAOYSA-N 0 0 433.489 4.593 50 0 IJAARN COC(=O)c1cn(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccccc12 ZINC000012680602 522322514 /nfs/dbraw/zinc/32/25/14/522322514.db2.gz WLDGKFADHAFZGS-UHFFFAOYSA-N 0 0 425.897 4.844 50 0 IJAARN COC(=O)c1sc2nc(CN(C)Cc3ccco3)ccc2c1NC(=O)c1ccccc1C ZINC000012454513 522432335 /nfs/dbraw/zinc/43/23/35/522432335.db2.gz HRWDEWUZVYQLQL-UHFFFAOYSA-N 0 0 449.532 4.869 50 0 IJAARN COC(=O)c1sc2nc(CN(C)Cc3ccco3)ccc2c1NC(=O)C1CCCCC1 ZINC000012206888 522432863 /nfs/dbraw/zinc/43/28/63/522432863.db2.gz JLDQYMWAUIIIBV-UHFFFAOYSA-N 0 0 441.553 4.827 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035945982 522451539 /nfs/dbraw/zinc/45/15/39/522451539.db2.gz FSMJZZRNVSOUCH-FQEVSTJZSA-N 0 0 444.938 4.597 50 0 IJAARN COc1cc(CSCc2csc(NC(=O)COc3ccccc3F)n2)cc(OC)c1 ZINC000012230259 522500172 /nfs/dbraw/zinc/50/01/72/522500172.db2.gz WXFZPTHWKUEQIR-UHFFFAOYSA-N 0 0 448.541 4.750 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000021556681 522504542 /nfs/dbraw/zinc/50/45/42/522504542.db2.gz XPWNOAJXGSVFSR-UHFFFAOYSA-N 0 0 446.290 4.549 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012866091 522512340 /nfs/dbraw/zinc/51/23/40/522512340.db2.gz MBPYIORHRCQZTE-LJQANCHMSA-N 0 0 430.932 4.594 50 0 IJAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000012742697 522665619 /nfs/dbraw/zinc/66/56/19/522665619.db2.gz KDSOASXKAUBMDS-AWEZNQCLSA-N 0 0 449.935 4.832 50 0 IJAARN CC[C@@H](NC(=O)CN1C(=S)N=NC1c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012794157 522698753 /nfs/dbraw/zinc/69/87/53/522698753.db2.gz UXABDIPCXIUVRG-QGZVFWFLSA-N 0 0 445.386 4.572 50 0 IJAARN COCC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035946163 522734154 /nfs/dbraw/zinc/73/41/54/522734154.db2.gz YUXRVMWQXFVSBM-IBGZPJMESA-N 0 0 437.584 4.618 50 0 IJAARN COCC(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000035977346 522737418 /nfs/dbraw/zinc/73/74/18/522737418.db2.gz PAZZYMOBINCYCT-UHFFFAOYSA-N 0 0 449.482 4.787 50 0 IJAARN CCc1nnc2c(Oc3cccc(NC(=O)c4ccccc4OC)c3)nc3ccccc3n12 ZINC000035461137 522795344 /nfs/dbraw/zinc/79/53/44/522795344.db2.gz SRDYRKQIHXQXJE-UHFFFAOYSA-N 0 0 439.475 4.893 50 0 IJAARN COC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 ZINC000001118915 522899296 /nfs/dbraw/zinc/89/92/96/522899296.db2.gz QJKVDAINOPKZRB-UHFFFAOYSA-N 0 0 431.410 4.731 50 0 IJAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C3=O ZINC000020446532 522920113 /nfs/dbraw/zinc/92/01/13/522920113.db2.gz YVPBIAQVXWHNNC-OAQYLSRUSA-N 0 0 435.505 4.816 50 0 IJAARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)ccc1OCc1ccccc1 ZINC000035142912 522924173 /nfs/dbraw/zinc/92/41/73/522924173.db2.gz HPVAHEDLHFWGOL-NRFANRHFSA-N 0 0 441.483 4.606 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1OCc1ccccc1 ZINC000020745890 522927325 /nfs/dbraw/zinc/92/73/25/522927325.db2.gz QGZSMAZTOWRQSR-IBGZPJMESA-N 0 0 441.491 4.682 50 0 IJAARN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(N(C)C)cc2)ccc1O ZINC000020745739 522971076 /nfs/dbraw/zinc/97/10/76/522971076.db2.gz LPBOQPXVLDXBSF-VWLOTQADSA-N 0 0 440.503 4.607 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cccc(C(C)=O)c4)c(C)c13)CCC(C)(C)O2 ZINC000012900299 522996614 /nfs/dbraw/zinc/99/66/14/522996614.db2.gz CXMDNXZMWGKELU-UHFFFAOYSA-N 0 0 449.503 4.597 50 0 biogenic IJAARN CC[C@H]1CCCCN1C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC ZINC000012456533 523017436 /nfs/dbraw/zinc/01/74/36/523017436.db2.gz KMPOIVWPTAEHDZ-KRWDZBQOSA-N 0 0 439.585 4.559 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000036043120 523037075 /nfs/dbraw/zinc/03/70/75/523037075.db2.gz PJSVLVUCKIHMGS-AFMDSPMNSA-N 0 0 430.548 4.622 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccccc1)C(=O)N(c1ccccc1)N=C2C ZINC000022018001 523038098 /nfs/dbraw/zinc/03/80/98/523038098.db2.gz INXFNAMHGOLSER-JOCHJYFZSA-N 0 0 443.503 4.587 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccc(O)cc1)N(Cc1nc(-c3ccccc3)no1)CC2 ZINC000020653665 523048979 /nfs/dbraw/zinc/04/89/79/523048979.db2.gz FCDAYFFDGNWPQH-VWLOTQADSA-N 0 0 443.503 4.607 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000013056055 523050790 /nfs/dbraw/zinc/05/07/90/523050790.db2.gz ZEGSTEWTHDNWGJ-VWLOTQADSA-N 0 0 436.939 4.943 50 0 IJAARN CC[C@@H](Sc1nnc(-c2cc3occc3n2C)n1-c1ccccc1C)C(=O)N1CCCC1 ZINC000015679539 523086579 /nfs/dbraw/zinc/08/65/79/523086579.db2.gz GALKKNKMHUSRBE-OAQYLSRUSA-N 0 0 449.580 4.821 50 0 IJAARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000014958201 523151203 /nfs/dbraw/zinc/15/12/03/523151203.db2.gz VYZZCIMXMREIOD-SVBPBHIXSA-N 0 0 436.571 4.624 50 0 IJAARN COc1ccc(-c2csc3ncnc(N[C@@H](C)c4ccc(S(C)(=O)=O)cc4)c23)cc1 ZINC000015119031 523171792 /nfs/dbraw/zinc/17/17/92/523171792.db2.gz IMKWVTWNBKNTJI-AWEZNQCLSA-N 0 0 439.562 4.944 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cs2)cc1OC ZINC000012547200 523190269 /nfs/dbraw/zinc/19/02/69/523190269.db2.gz KFYJAEBQRWXNBY-OAHLLOKOSA-N 0 0 434.521 4.504 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nc(CN4CCC(C)CC4)cs3)cs2)cc1 ZINC000014248239 523197367 /nfs/dbraw/zinc/19/73/67/523197367.db2.gz PVKLRFLVNHYFJB-UHFFFAOYSA-N 0 0 442.610 4.688 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(c4ccccc4Cl)CC3)c(C)o2)c(OC)c1 ZINC000020601348 523204644 /nfs/dbraw/zinc/20/46/44/523204644.db2.gz VOEHMLMXVCQYOB-UHFFFAOYSA-N 0 0 427.932 4.643 50 0 IJAARN COc1ccc(-c2nc(NC3CCCCC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000035929222 523221196 /nfs/dbraw/zinc/22/11/96/523221196.db2.gz LWIWKDOMIBLJAY-UHFFFAOYSA-N 0 0 444.539 4.827 50 0 IJAARN COc1ccc(-c2nnc(Sc3nc(C(F)(F)F)nc4ccccc43)o2)c(OC)c1 ZINC000012791850 523265067 /nfs/dbraw/zinc/26/50/67/523265067.db2.gz DCTZQWJWFDPOGE-UHFFFAOYSA-N 0 0 434.399 4.867 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)CSc3ccc(C)cc3)C(C)C)n2)cc1OC ZINC000012843417 523284566 /nfs/dbraw/zinc/28/45/66/523284566.db2.gz LFYTVAPITIGTNF-UHFFFAOYSA-N 0 0 441.553 4.592 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000020530645 523299263 /nfs/dbraw/zinc/29/92/63/523299263.db2.gz CNSUWEMBZXKGDP-HNNXBMFYSA-N 0 0 446.429 4.619 50 0 IJAARN COCCCN1Cc2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2O[C@@H](C)C1=O ZINC000035886528 523304786 /nfs/dbraw/zinc/30/47/86/523304786.db2.gz SHFICDNIVCUDJR-KRWDZBQOSA-N 0 0 425.529 4.600 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3cccc(-c4cccc(F)c4)c3)nnc2SC)cc1 ZINC000012132354 523316485 /nfs/dbraw/zinc/31/64/85/523316485.db2.gz PYOPBLSBVVBXEH-UHFFFAOYSA-N 0 0 448.523 4.734 50 0 IJAARN COc1ccc(-n2nc3nc(N(C)Cc4ccccc4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929470 523350458 /nfs/dbraw/zinc/35/04/58/523350458.db2.gz CBNBEDYUAGCHKF-UHFFFAOYSA-N 0 0 436.519 4.710 50 0 IJAARN COc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1 ZINC000012415652 523351765 /nfs/dbraw/zinc/35/17/65/523351765.db2.gz DBIOFHKJGMNLHQ-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN CC[C@H]1Cn2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000035477485 523409166 /nfs/dbraw/zinc/40/91/66/523409166.db2.gz ANLMNOXPKFFARV-KRWDZBQOSA-N 0 0 427.907 4.567 50 0 IJAARN CC[C@H]1c2ccsc2CCN1C(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1 ZINC000012794189 523446029 /nfs/dbraw/zinc/44/60/29/523446029.db2.gz LJXSHAKCIKZZNY-KRWDZBQOSA-N 0 0 428.583 4.604 50 0 IJAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 ZINC000020615975 523493542 /nfs/dbraw/zinc/49/35/42/523493542.db2.gz NGWBQZFFCSKPHN-ZSOIEALJSA-N 0 0 426.188 4.821 50 0 IJAARN COCCCn1c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605224 523501576 /nfs/dbraw/zinc/50/15/76/523501576.db2.gz HQRVUNXOKVDYMC-UHFFFAOYSA-N 0 0 435.880 4.891 50 0 IJAARN CCn1ccnc1SCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012646326 523550701 /nfs/dbraw/zinc/55/07/01/523550701.db2.gz LVQUYQGDBHWWRY-UHFFFAOYSA-N 0 0 448.470 4.905 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909356 523606834 /nfs/dbraw/zinc/60/68/34/523606834.db2.gz CKHIYCGFPHDCGW-QHCPKHFHSA-N 0 0 432.495 4.820 50 0 IJAARN CN(c1ccc(C(=O)NCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016188687 523635226 /nfs/dbraw/zinc/63/52/26/523635226.db2.gz UCBDMKBOTDPLKM-UHFFFAOYSA-N 0 0 449.359 4.749 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)c2ccccc12 ZINC000012800991 523641247 /nfs/dbraw/zinc/64/12/47/523641247.db2.gz WFGKAIZWJPSOMF-HKUYNNGSSA-N 0 0 434.511 4.717 50 0 IJAARN COCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)CCC1CCCC1 ZINC000035765871 523645647 /nfs/dbraw/zinc/64/56/47/523645647.db2.gz CIMBAIAZVGQHJA-UHFFFAOYSA-N 0 0 440.584 4.562 50 0 IJAARN CCn1ncc(CN(C)C(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)c1C ZINC000017096111 523689157 /nfs/dbraw/zinc/68/91/57/523689157.db2.gz LVGLXCMWDHFCQP-UHFFFAOYSA-N 0 0 428.583 4.555 50 0 IJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045729 523717676 /nfs/dbraw/zinc/71/76/76/523717676.db2.gz JFRXLBHXWRBDBF-VWLOTQADSA-N 0 0 434.605 4.891 50 0 IJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(OC)c3)cc2)cc1 ZINC000035927180 523753904 /nfs/dbraw/zinc/75/39/04/523753904.db2.gz CKDXTSWMVMFZMS-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn32)cc1 ZINC000012342101 523779584 /nfs/dbraw/zinc/77/95/84/523779584.db2.gz FRWFXPHYPNXZDE-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1 ZINC000020617014 523877091 /nfs/dbraw/zinc/87/70/91/523877091.db2.gz BATCXSMFUVSNLJ-WCTVFOPTSA-N 0 0 427.504 4.984 50 0 IJAARN COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1OC ZINC000014958771 523905296 /nfs/dbraw/zinc/90/52/96/523905296.db2.gz XAZJKHDGYMBFAL-HXUWFJFHSA-N 0 0 433.552 4.570 50 0 IJAARN COc1ccc(CC(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)c(OC)c1OC ZINC000012776062 523913301 /nfs/dbraw/zinc/91/33/01/523913301.db2.gz DCKSTMIMUVCCMG-UHFFFAOYSA-N 0 0 446.956 4.903 50 0 IJAARN CC[C@H](C)N1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012868645 523947615 /nfs/dbraw/zinc/94/76/15/523947615.db2.gz LYCAFHNRNMDXRL-LCAJTWGOSA-N 0 0 435.955 4.651 50 0 biogenic IJAARN CC[C@H](C)N1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021868886 523948167 /nfs/dbraw/zinc/94/81/67/523948167.db2.gz SPRJAQGUDIPPBF-UZTOHYMASA-N 0 0 446.595 4.812 50 0 IJAARN CCc1ccc(N(C(=O)Cn2c(=O)cnc3ccccc32)c2nc3ccccc3s2)cc1 ZINC000021335217 523956545 /nfs/dbraw/zinc/95/65/45/523956545.db2.gz HBAPWLKGBDLWLH-UHFFFAOYSA-N 0 0 440.528 4.934 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4ccc(OC)cc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857356 523963848 /nfs/dbraw/zinc/96/38/48/523963848.db2.gz YRPKBOFUZQJAEM-MHZLTWQESA-N 0 0 445.563 4.690 50 0 IJAARN CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NC1CCCCC1 ZINC000012293020 523967177 /nfs/dbraw/zinc/96/71/77/523967177.db2.gz PJOBBCAZWFMXLK-UHFFFAOYSA-N 0 0 429.973 4.554 50 0 IJAARN COc1ccc(CCNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012419576 523979286 /nfs/dbraw/zinc/97/92/86/523979286.db2.gz DZUQVNGXWCHBHU-UHFFFAOYSA-N 0 0 440.546 4.899 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)C2CC2)cc1 ZINC000012569163 523990429 /nfs/dbraw/zinc/99/04/29/523990429.db2.gz XFNGXUOQULDIQD-RUZDIDTESA-N 0 0 427.500 4.954 50 0 IJAARN COc1ccc(CN(C)C(=O)CSc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000012889544 523995969 /nfs/dbraw/zinc/99/59/69/523995969.db2.gz YHHRTMFJUYACGB-UHFFFAOYSA-N 0 0 430.353 4.770 50 0 IJAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCC[C@@H]1C ZINC000034919720 524004674 /nfs/dbraw/zinc/00/46/74/524004674.db2.gz PUJJCFTUKNZWHO-IRXDYDNUSA-N 0 0 447.576 4.534 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020386643 524022077 /nfs/dbraw/zinc/02/20/77/524022077.db2.gz AHYTWIJBBBIALA-MHZLTWQESA-N 0 0 434.580 4.882 50 0 IJAARN COc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1OCc1ccccc1 ZINC000023282066 524033821 /nfs/dbraw/zinc/03/38/21/524033821.db2.gz RRCVCIOVKDKJIV-UHFFFAOYSA-N 0 0 430.548 4.799 50 0 IJAARN Cc1cccc(-c2nc3ccccc3c3nnc(SCC(=O)N4CCC[C@H](C)C4)n32)c1 ZINC000021727277 524120079 /nfs/dbraw/zinc/12/00/79/524120079.db2.gz IRNQELMYFTYDNV-KRWDZBQOSA-N 0 0 431.565 4.604 50 0 IJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000012686014 524122876 /nfs/dbraw/zinc/12/28/76/524122876.db2.gz OOAFBZOZOJPSTA-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3cnc(N4CCCCC4)c4ccccc34)CC2)c1 ZINC000033073197 524124934 /nfs/dbraw/zinc/12/49/34/524124934.db2.gz UTGFRZRKYRDFDX-UHFFFAOYSA-N 0 0 428.580 4.804 50 0 IJAARN COc1cccc([C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928087 524132969 /nfs/dbraw/zinc/13/29/69/524132969.db2.gz IWEQWINGJNXZAC-JWQCQUIFSA-N 0 0 444.506 4.594 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c2ccccc2n1 ZINC000012933842 524170142 /nfs/dbraw/zinc/17/01/42/524170142.db2.gz WNXNOPLCNZAIKO-UHFFFAOYSA-N 0 0 445.544 4.616 50 0 IJAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928002 524186983 /nfs/dbraw/zinc/18/69/83/524186983.db2.gz GMCHREJIGCMMKM-ZEQRLZLVSA-N 0 0 430.479 4.916 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)n[nH]1 ZINC000022357412 524189945 /nfs/dbraw/zinc/18/99/45/524189945.db2.gz ZVGXEOQOPSSKKJ-NEPJUHHUSA-N 0 0 434.924 4.631 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907881 524196712 /nfs/dbraw/zinc/19/67/12/524196712.db2.gz XKBUTLKAGHUAHL-HXUWFJFHSA-N 0 0 426.969 4.940 50 0 IJAARN Cc1ccc(C)n1-c1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000021102784 524216248 /nfs/dbraw/zinc/21/62/48/524216248.db2.gz KYGGUXOBPJNJJP-UHFFFAOYSA-N 0 0 447.627 4.967 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CCN1c2cccnc2Sc2ccccc2C1=O ZINC000020512198 524241794 /nfs/dbraw/zinc/24/17/94/524241794.db2.gz HLGQDEVSQYGPMH-GOSISDBHSA-N 0 0 431.561 4.721 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656443 524244347 /nfs/dbraw/zinc/24/43/47/524244347.db2.gz IIYCMSCHEDMTSZ-IFMALSPDSA-N 0 0 430.552 4.623 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(F)c(Cl)c4)n3C)oc21 ZINC000015019528 524256741 /nfs/dbraw/zinc/25/67/41/524256741.db2.gz JLSKWAJINBJNNS-UHFFFAOYSA-N 0 0 446.891 4.760 50 0 IJAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3c(OC)cccc3OC)ccc2o1 ZINC000012296824 524265501 /nfs/dbraw/zinc/26/55/01/524265501.db2.gz TZTAQLIWDMQIEM-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1 ZINC000012495741 524283170 /nfs/dbraw/zinc/28/31/70/524283170.db2.gz FALBYCYKJSGSAN-UHFFFAOYSA-N 0 0 443.576 4.930 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)N[C@@H](C)c2ccccc2)c2nc(C)cc(C)c12 ZINC000020437612 524284268 /nfs/dbraw/zinc/28/42/68/524284268.db2.gz BOEBPRMELIOUMF-IBGZPJMESA-N 0 0 428.536 4.991 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)N[C@@H](C)CCc2ccco2)c2nc(C)cc(C)c12 ZINC000020437727 524284949 /nfs/dbraw/zinc/28/49/49/524284949.db2.gz CYRADLQTXJMQPI-SFHVURJKSA-N 0 0 446.551 4.844 50 0 IJAARN Cc1cc(C)c(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)c(C)c1 ZINC000021860217 524305737 /nfs/dbraw/zinc/30/57/37/524305737.db2.gz AIXUAXASJJYTRZ-UHFFFAOYSA-N 0 0 436.515 4.875 50 0 IJAARN Cc1ccc(CCN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482091 524320892 /nfs/dbraw/zinc/32/08/92/524320892.db2.gz AIHXJCPWKVHGEH-VWLOTQADSA-N 0 0 435.593 4.527 50 0 IJAARN COc1ccccc1C(=O)NC(=CC=Cc1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000015768155 524339763 /nfs/dbraw/zinc/33/97/63/524339763.db2.gz ZIYFTXMEYSYILI-JDSODJRISA-N 0 0 440.499 4.864 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000012385117 524359463 /nfs/dbraw/zinc/35/94/63/524359463.db2.gz HTRJOAJSWQTQDS-HDICACEKSA-N 0 0 438.572 4.879 50 0 IJAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020903229 524399271 /nfs/dbraw/zinc/39/92/71/524399271.db2.gz VYCPUVJAWXFOGB-HHHXNRCGSA-N 0 0 445.563 4.908 50 0 IJAARN COc1ccc(N2C(=O)c3n[nH]c(-c4ccc(F)cc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000012323946 524401367 /nfs/dbraw/zinc/40/13/67/524401367.db2.gz CRLKLMDOYUJMOR-DEOSSOPVSA-N 0 0 445.450 4.688 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000021106285 524401784 /nfs/dbraw/zinc/40/17/84/524401784.db2.gz NZFXVLPTVWGPDZ-OAQYLSRUSA-N 0 0 425.872 4.532 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)Cc2ccc(F)cc2)C(C)C)o1 ZINC000035765860 524419143 /nfs/dbraw/zinc/41/91/43/524419143.db2.gz MMVQFFIURFPGPJ-UHFFFAOYSA-N 0 0 436.527 4.736 50 0 IJAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000035887758 524472401 /nfs/dbraw/zinc/47/24/01/524472401.db2.gz VGWRIPDEIICREI-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1Br ZINC000012581113 524483844 /nfs/dbraw/zinc/48/38/44/524483844.db2.gz CWKDPJMHBZBKIM-UHFFFAOYSA-N 0 0 439.309 4.640 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CSc3ccccc3)C2)c(C)c1 ZINC000012431259 524485146 /nfs/dbraw/zinc/48/51/46/524485146.db2.gz ZOXBEXQBBYYHKE-LJQANCHMSA-N 0 0 426.582 4.753 50 0 IJAARN COc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc1OC ZINC000017245542 524504349 /nfs/dbraw/zinc/50/43/49/524504349.db2.gz NPSWANNIMDWBPY-QGZVFWFLSA-N 0 0 435.524 4.506 50 0 IJAARN Cc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000021863686 524535675 /nfs/dbraw/zinc/53/56/75/524535675.db2.gz JMVHKPUOJUPCNV-SANMLTNESA-N 0 0 431.536 4.843 50 0 IJAARN COc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855802 524535931 /nfs/dbraw/zinc/53/59/31/524535931.db2.gz ZDAGHSFYKAMKNF-SANMLTNESA-N 0 0 431.536 4.518 50 0 IJAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC000012458794 524543702 /nfs/dbraw/zinc/54/37/02/524543702.db2.gz WFXBAFUSILJGIW-OAHLLOKOSA-N 0 0 436.430 4.849 50 0 IJAARN Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)c1 ZINC000012062030 524567229 /nfs/dbraw/zinc/56/72/29/524567229.db2.gz QFXDNKNWDTZWQW-HXUWFJFHSA-N 0 0 438.531 4.528 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000015733536 524585626 /nfs/dbraw/zinc/58/56/26/524585626.db2.gz TVYIXHVATMXMMG-MRXNPFEDSA-N 0 0 445.475 4.827 50 0 IJAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1OC ZINC000012342132 524621682 /nfs/dbraw/zinc/62/16/82/524621682.db2.gz ZEHHJWNVSZJCBX-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN COc1ccccc1NC(=O)[C@H]1CCCN(c2nccnc2Sc2ccc(C)cc2)C1 ZINC000033288507 524623861 /nfs/dbraw/zinc/62/38/61/524623861.db2.gz WZLUQRROAPIXGE-SFHVURJKSA-N 0 0 434.565 4.800 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000012592341 524652903 /nfs/dbraw/zinc/65/29/03/524652903.db2.gz PAMNDVOOJHDGHF-HZPDHXFCSA-N 0 0 442.610 4.908 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1C ZINC000021885230 524654464 /nfs/dbraw/zinc/65/44/64/524654464.db2.gz VTZUHGRASXGNAK-IBGZPJMESA-N 0 0 430.508 4.613 50 0 IJAARN COc1ccc(NC(=O)c2nnc(CSc3nc(C4CC4)nc4ccccc43)s2)cc1 ZINC000012852575 524660154 /nfs/dbraw/zinc/66/01/54/524660154.db2.gz VHQRVFWXJWWJQS-UHFFFAOYSA-N 0 0 449.561 4.912 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@@H]4CCC[C@H](C)[C@@H]4C)c23)C1 ZINC000034896112 524725630 /nfs/dbraw/zinc/72/56/30/524725630.db2.gz YHJSWKLUVTWZPI-VUHPKUFZSA-N 0 0 428.646 4.885 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21 ZINC000021052692 524745785 /nfs/dbraw/zinc/74/57/85/524745785.db2.gz GIANOYNBPDJEFF-LJQANCHMSA-N 0 0 440.956 4.635 50 0 IJAARN Cc1ccc(Cn2cnc3c2c(=O)n(C2CCCC2)c(=O)n3-c2ccc(C(C)C)cc2)cc1 ZINC000034692755 524774604 /nfs/dbraw/zinc/77/46/04/524774604.db2.gz OESUZQUFTPVGEI-UHFFFAOYSA-N 0 0 442.563 4.944 50 0 IJAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2)c1 ZINC000012319656 524810419 /nfs/dbraw/zinc/81/04/19/524810419.db2.gz WEFYFNSPJWRCSE-JOCHJYFZSA-N 0 0 444.531 4.652 50 0 IJAARN COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3cccs3)c2N1 ZINC000012847714 524817061 /nfs/dbraw/zinc/81/70/61/524817061.db2.gz DABBBHFHQJBZRB-NVXWUHKLSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c2c(nn1C)CCCC2 ZINC000012578234 524819172 /nfs/dbraw/zinc/81/91/72/524819172.db2.gz JUVXJMHWIICIKH-VWLOTQADSA-N 0 0 440.547 4.577 50 0 IJAARN Cc1cccc([C@@H]2[C@@H](C(=O)NCCc3cccs3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924177 524856291 /nfs/dbraw/zinc/85/62/91/524856291.db2.gz ZPPFZUNMZIKKNW-BJKOFHAPSA-N 0 0 430.573 4.859 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021862883 524890071 /nfs/dbraw/zinc/89/00/71/524890071.db2.gz SQJCQXNSDIINEH-DEOSSOPVSA-N 0 0 445.007 4.724 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NCCC(C)C ZINC000021862878 524890105 /nfs/dbraw/zinc/89/01/05/524890105.db2.gz SQJCQXNSDIINEH-XMMPIXPASA-N 0 0 445.007 4.724 50 0 IJAARN Cc1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000041097242 524896665 /nfs/dbraw/zinc/89/66/65/524896665.db2.gz DXPRBDKOLQKKJC-UHFFFAOYSA-N 0 0 438.427 4.598 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C ZINC000035912493 524920266 /nfs/dbraw/zinc/92/02/66/524920266.db2.gz CTWNNEXPMCXRFT-QHCPKHFHSA-N 0 0 438.574 4.883 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3cc(-c4ccc(F)cc4)sc31)C[C@@H]2O ZINC000012813677 524922875 /nfs/dbraw/zinc/92/28/75/524922875.db2.gz VVQUGUCEJGHYLX-KRWDZBQOSA-N 0 0 437.496 4.568 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021851758 524931069 /nfs/dbraw/zinc/93/10/69/524931069.db2.gz MZTXAMDBQXLCOO-AREMUKBSSA-N 0 0 446.551 4.710 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862161 524932458 /nfs/dbraw/zinc/93/24/58/524932458.db2.gz YIQDHOAGWAQQTK-AREMUKBSSA-N 0 0 430.552 4.603 50 0 IJAARN COc1ccc(OCCNC(=O)c2cncn2-c2ccc(-c3ccccc3C)cc2)cc1 ZINC000023442613 524961514 /nfs/dbraw/zinc/96/15/14/524961514.db2.gz AJBITIIINRMMIL-UHFFFAOYSA-N 0 0 427.504 4.665 50 0 IJAARN Cc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)NCc2ccccc2)cc1 ZINC000012249919 524977402 /nfs/dbraw/zinc/97/74/02/524977402.db2.gz PQVGAMWKYSOSDC-UHFFFAOYSA-N 0 0 428.561 4.625 50 0 IJAARN C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)[C@H](c1ccccc1)N1CCOCC1 ZINC000012781427 524992020 /nfs/dbraw/zinc/99/20/20/524992020.db2.gz NFNIPJBICOBPEU-UZTOHYMASA-N 0 0 428.532 4.707 50 0 IJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3ccc(Br)cc3)n2n1 ZINC000035507164 525013612 /nfs/dbraw/zinc/01/36/12/525013612.db2.gz HBRVETFZVSORGD-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1Cl ZINC000021724463 525028559 /nfs/dbraw/zinc/02/85/59/525028559.db2.gz HRJTUDLDZSMNLM-UHFFFAOYSA-N 0 0 428.895 4.688 50 0 IJAARN Cc1ccccc1-n1cc(CN(C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cn1 ZINC000020450519 525031070 /nfs/dbraw/zinc/03/10/70/525031070.db2.gz QFXNCOQWNVCTKK-UHFFFAOYSA-N 0 0 427.430 4.882 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3c(F)cccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884616 525062596 /nfs/dbraw/zinc/06/25/96/525062596.db2.gz UGQAGAZQWZZPEY-CQSZACIVSA-N 0 0 440.421 4.666 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020909093 525065971 /nfs/dbraw/zinc/06/59/71/525065971.db2.gz YWWGRMJQPPBELL-UHFFFAOYSA-N 0 0 437.931 4.966 50 0 IJAARN C[C@@H]1CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012419683 525078520 /nfs/dbraw/zinc/07/85/20/525078520.db2.gz SMPBLAKGUHEPHH-BETUJISGSA-N 0 0 438.958 4.503 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)cc1OC ZINC000012371354 525084856 /nfs/dbraw/zinc/08/48/56/525084856.db2.gz BIBHTOTWRJMXAZ-UHFFFAOYSA-N 0 0 436.942 4.704 50 0 IJAARN C[C@@H](NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl ZINC000022917458 525107017 /nfs/dbraw/zinc/10/70/17/525107017.db2.gz HGSQYOQVHVOMNE-OAHLLOKOSA-N 0 0 440.802 4.642 50 0 IJAARN COc1ccc([C@@H](C(=O)Nc2cc(Cl)ccc2OC)N2Cc3ccccc3C2=O)cc1 ZINC000020597770 525116234 /nfs/dbraw/zinc/11/62/34/525116234.db2.gz HWLQVYQOIBZKME-QFIPXVFZSA-N 0 0 436.895 4.693 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021864065 525134349 /nfs/dbraw/zinc/13/43/49/525134349.db2.gz XCVAIUBJRSLUOZ-SANMLTNESA-N 0 0 431.536 4.530 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021864798 525135170 /nfs/dbraw/zinc/13/51/70/525135170.db2.gz GVUZOFUIWLEZFK-AREMUKBSSA-N 0 0 433.552 4.634 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)c2)cc1 ZINC000012401880 525144399 /nfs/dbraw/zinc/14/43/99/525144399.db2.gz OFVZVCOOEXHNFQ-HDICACEKSA-N 0 0 432.520 4.686 50 0 IJAARN Cc1cc(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)ccc1Br ZINC000033263790 525192348 /nfs/dbraw/zinc/19/23/48/525192348.db2.gz WEGNHGCNHDIOBC-UHFFFAOYSA-N 0 0 442.361 4.982 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021855874 525198616 /nfs/dbraw/zinc/19/86/16/525198616.db2.gz NQTPQARUJDIQJH-AREMUKBSSA-N 0 0 433.527 4.644 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000012535942 525207158 /nfs/dbraw/zinc/20/71/58/525207158.db2.gz SCQJKUZYHGPTIK-MLGOLLRUSA-N 0 0 426.510 4.705 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000012538126 525273593 /nfs/dbraw/zinc/27/35/93/525273593.db2.gz QNVDJCBBIOGQML-INIZCTEOSA-N 0 0 436.585 4.890 50 0 IJAARN COc1ccc([C@@](O)(c2ccccc2)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446994 525283998 /nfs/dbraw/zinc/28/39/98/525283998.db2.gz NSNMRRSJBXMBCJ-UIOOFZCWSA-N 0 0 437.967 4.701 50 0 IJAARN C[C@@H](NC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035981581 525297376 /nfs/dbraw/zinc/29/73/76/525297376.db2.gz GHKUNTWXGFICKW-FUCXSRDWSA-N 0 0 440.971 4.965 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c(OC)c1 ZINC000020892605 525432533 /nfs/dbraw/zinc/43/25/33/525432533.db2.gz TTWSFQMEYRGVAQ-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c(OC)c1 ZINC000020892597 525433345 /nfs/dbraw/zinc/43/33/45/525433345.db2.gz SXWIPWHELBCPSQ-HXUWFJFHSA-N 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ZINC000020765450 525582884 /nfs/dbraw/zinc/58/28/84/525582884.db2.gz HBOHSAAZQHFNIZ-UHFFFAOYSA-N 0 0 437.613 4.587 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000021526875 525618468 /nfs/dbraw/zinc/61/84/68/525618468.db2.gz JQQXAUXVJJXDFS-RUZDIDTESA-N 0 0 425.573 4.929 50 0 IJAARN Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012791564 525659000 /nfs/dbraw/zinc/65/90/00/525659000.db2.gz KRNWSABUSJPLOS-UHFFFAOYSA-N 0 0 431.540 4.715 50 0 IJAARN C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012783169 525664286 /nfs/dbraw/zinc/66/42/86/525664286.db2.gz BKXJBSIOVKFBJR-WDEREUQCSA-N 0 0 438.534 4.606 50 0 IJAARN COc1ccc2nc(N(CCn3cccn3)C(=O)CCSc3ccccc3)sc2c1 ZINC000023144796 525669773 /nfs/dbraw/zinc/66/97/73/525669773.db2.gz VAWWRFVXQNCARI-UHFFFAOYSA-N 0 0 438.578 4.717 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)cc2)c(C)c1 ZINC000012794684 525672410 /nfs/dbraw/zinc/67/24/10/525672410.db2.gz OMLFLXSVWBCPIB-UHFFFAOYSA-N 0 0 445.544 4.846 50 0 IJAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000021801663 525681701 /nfs/dbraw/zinc/68/17/01/525681701.db2.gz VWQJFYDBPAQMJJ-UHFFFAOYSA-N 0 0 434.297 4.820 50 0 IJAARN COc1cccc(-c2nc(COC(=O)c3ccc(-c4nc(C)no4)cc3)cs2)c1OC ZINC000022829723 525724255 /nfs/dbraw/zinc/72/42/55/525724255.db2.gz KPHJZHVQWJCFFP-UHFFFAOYSA-N 0 0 437.477 4.543 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4Cl)nc3n2)cc1 ZINC000015868174 525730627 /nfs/dbraw/zinc/73/06/27/525730627.db2.gz UNQLYENRWKLGJF-UHFFFAOYSA-N 0 0 445.832 4.702 50 0 IJAARN COc1cccc(-c2noc(CCN(C(=O)COCc3ccccc3)C3CCCCC3)n2)c1 ZINC000035537729 525735950 /nfs/dbraw/zinc/73/59/50/525735950.db2.gz FMEILNMCZHZJKN-UHFFFAOYSA-N 0 0 449.551 4.666 50 0 IJAARN Cc1ccc(-c2csc(SCc3noc(CCC(=O)Nc4nccs4)n3)n2)cc1 ZINC000033270750 525785704 /nfs/dbraw/zinc/78/57/04/525785704.db2.gz MARMZCXGXXATQZ-UHFFFAOYSA-N 0 0 443.579 4.822 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035949302 525792942 /nfs/dbraw/zinc/79/29/42/525792942.db2.gz HOOZVTRZJRUBBQ-VWLOTQADSA-N 0 0 431.580 4.938 50 0 IJAARN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)no2)cc1 ZINC000021724414 525808335 /nfs/dbraw/zinc/80/83/35/525808335.db2.gz YUEWBZNUJWBOOP-UHFFFAOYSA-N 0 0 444.457 4.915 50 0 IJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccccc4C(F)(F)F)C3)no2)cc1 ZINC000021356474 525810974 /nfs/dbraw/zinc/81/09/74/525810974.db2.gz SJQOCXVSKJLZMK-KRWDZBQOSA-N 0 0 444.457 4.915 50 0 IJAARN Cc1ccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000035527251 525835939 /nfs/dbraw/zinc/83/59/39/525835939.db2.gz WUZMYULDEWPVPL-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN Cc1ccc([C@@](O)(CCNc2nc(-c3cccnc3)nc3ccccc32)C(F)(F)F)o1 ZINC000022406369 525867138 /nfs/dbraw/zinc/86/71/38/525867138.db2.gz KZVSTQGPYVJNGR-NRFANRHFSA-N 0 0 428.414 4.845 50 0 IJAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000021841750 525880825 /nfs/dbraw/zinc/88/08/25/525880825.db2.gz XVIMIRGVGMQPBN-ZDUSSCGKSA-N 0 0 440.849 4.785 50 0 IJAARN Cc1ccc(-n2c(C)nc3ccc(NC(=O)COc4ccccc4Cl)cc3c2=O)cc1 ZINC000022498163 525896115 /nfs/dbraw/zinc/89/61/15/525896115.db2.gz QVYRPDCJMPVLBJ-UHFFFAOYSA-N 0 0 433.895 4.673 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000012759709 525918653 /nfs/dbraw/zinc/91/86/53/525918653.db2.gz BZTHQELGQGOTPY-UONOGXRCSA-N 0 0 438.391 4.544 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1cc(Cl)ccc1C)nc2C ZINC000020563588 525937027 /nfs/dbraw/zinc/93/70/27/525937027.db2.gz YYICXJIVVGMWEK-UHFFFAOYSA-N 0 0 449.942 4.580 50 0 IJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3cccc(F)c3)cc2=O)s1 ZINC000021535979 525941727 /nfs/dbraw/zinc/94/17/27/525941727.db2.gz FUBURLCORFIWAS-UHFFFAOYSA-N 0 0 425.510 4.748 50 0 IJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012436395 525951032 /nfs/dbraw/zinc/95/10/32/525951032.db2.gz HKFFNOZXSQNPAB-KRWDZBQOSA-N 0 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429.495 4.922 50 0 IJAARN Fc1ccc(-c2nnc(SCc3nccn3Cc3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000040067266 526317721 /nfs/dbraw/zinc/31/77/21/526317721.db2.gz PUOBLDZTCKFGIF-OAQYLSRUSA-N 0 0 449.555 4.800 50 0 IJAARN O=C(NCCNc1ncc(Cl)cc1C(F)(F)F)C(F)(F)Sc1ccccc1 ZINC000020458530 526340291 /nfs/dbraw/zinc/34/02/91/526340291.db2.gz ADZFWSYXSMECPW-UHFFFAOYSA-N 0 0 425.810 4.667 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000015685745 526393391 /nfs/dbraw/zinc/39/33/91/526393391.db2.gz BISAEKLFYMCWFS-JLPGSUDCSA-N 0 0 443.934 4.951 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398463 526402009 /nfs/dbraw/zinc/40/20/09/526402009.db2.gz IVVZBWPNHVIRRF-UHFFFAOYSA-N 0 0 438.934 4.511 50 0 IJAARN Cc1csc2nc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)cc(=O)n12 ZINC000041077418 526455713 /nfs/dbraw/zinc/45/57/13/526455713.db2.gz ADQNSHVUWHMMSC-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1noc(C)c1CCOC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000021789096 526498318 /nfs/dbraw/zinc/49/83/18/526498318.db2.gz VRALJJHJZPWEHJ-UHFFFAOYSA-N 0 0 444.413 4.728 50 0 IJAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012796793 526498707 /nfs/dbraw/zinc/49/87/07/526498707.db2.gz HPNBKDFFZMKGSO-SCEBHNAPSA-N 0 0 440.543 4.545 50 0 IJAARN Cc1nnc(CC(=O)N(Cc2cc3ccc(C)cc3nc2-c2cccc(C)c2)C2CC2)[nH]1 ZINC000012152442 526523439 /nfs/dbraw/zinc/52/34/39/526523439.db2.gz PSKJOMZKFRQIEM-UHFFFAOYSA-N 0 0 425.536 4.679 50 0 IJAARN c1cnn(-c2ccc(CSc3nnc(CN4CCCCC4)n3Cc3ccccc3)cc2)c1 ZINC000012136284 526551338 /nfs/dbraw/zinc/55/13/38/526551338.db2.gz WEFLDTNXSZXFAD-UHFFFAOYSA-N 0 0 444.608 4.790 50 0 IJAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000012205103 526563380 /nfs/dbraw/zinc/56/33/80/526563380.db2.gz JERFASWKKLCCNH-VUZGOQOGSA-N 0 0 430.592 4.848 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)N2CCCCC2)CC1 ZINC000035454677 526566736 /nfs/dbraw/zinc/56/67/36/526566736.db2.gz YXAZAXHRHKLQFM-UHFFFAOYSA-N 0 0 425.598 4.682 50 0 IJAARN Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000015783818 526584184 /nfs/dbraw/zinc/58/41/84/526584184.db2.gz JNSPTXZKCUIDDG-UHFFFAOYSA-N 0 0 430.570 4.657 50 0 IJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000012931241 526584298 /nfs/dbraw/zinc/58/42/98/526584298.db2.gz SYADUKDZDMSAJZ-QGZVFWFLSA-N 0 0 448.013 4.637 50 0 IJAARN Cc1nc(-c2cccnc2)sc1C(=O)Nc1[nH]nc2nc(C(F)(F)F)cc(C3CC3)c21 ZINC000020607110 526611612 /nfs/dbraw/zinc/61/16/12/526611612.db2.gz SHBMSEHFAABCRH-UHFFFAOYSA-N 0 0 444.442 4.933 50 0 IJAARN O=C(CCc1ccccn1)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011844171 526615374 /nfs/dbraw/zinc/61/53/74/526615374.db2.gz KJNZBJQUURRMSY-NRFANRHFSA-N 0 0 431.511 4.698 50 0 IJAARN O=C(NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000012162072 526628360 /nfs/dbraw/zinc/62/83/60/526628360.db2.gz JDPUFGSJNVRDMB-HSZRJFAPSA-N 0 0 425.463 4.683 50 0 IJAARN Cc1nc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cs1 ZINC000012711260 526637508 /nfs/dbraw/zinc/63/75/08/526637508.db2.gz CLHDKOAMJQNZME-UHFFFAOYSA-N 0 0 439.625 4.565 50 0 IJAARN O=C(CCc1nc(-c2ccccc2)no1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000032936650 526645385 /nfs/dbraw/zinc/64/53/85/526645385.db2.gz KMBARPATPQIZEV-NRFANRHFSA-N 0 0 431.467 4.745 50 0 IJAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1cccc2[nH]ccc21 ZINC000012193801 526664585 /nfs/dbraw/zinc/66/45/85/526664585.db2.gz OCALVOARLWQFOZ-UHFFFAOYSA-N 0 0 434.927 4.923 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1SCC(F)(F)F ZINC000022358559 526668967 /nfs/dbraw/zinc/66/89/67/526668967.db2.gz CZWPGLZYBWWUPL-UHFFFAOYSA-N 0 0 430.835 4.931 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 ZINC000012112434 526675099 /nfs/dbraw/zinc/67/50/99/526675099.db2.gz FBQLONFPQPKIRQ-UHFFFAOYSA-N 0 0 445.905 4.544 50 0 IJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(I)c3)c12 ZINC000012770300 526678147 /nfs/dbraw/zinc/67/81/47/526678147.db2.gz PBZIYYCAKORMPL-UHFFFAOYSA-N 0 0 445.216 4.648 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(/C=C/c4ccccc4Cl)n3)ccc21)N1CCCC1 ZINC000035459983 526681945 /nfs/dbraw/zinc/68/19/45/526681945.db2.gz OPAHYGTVDMTZLQ-CSKARUKUSA-N 0 0 447.926 4.923 50 0 IJAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014682855 526684158 /nfs/dbraw/zinc/68/41/58/526684158.db2.gz KWWIBCUZHDLZJH-UHFFFAOYSA-N 0 0 426.501 4.702 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000012910860 526702561 /nfs/dbraw/zinc/70/25/61/526702561.db2.gz HYGBAJIRAYWVJD-AWEZNQCLSA-N 0 0 443.794 4.784 50 0 IJAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000015768691 526702687 /nfs/dbraw/zinc/70/26/87/526702687.db2.gz ZGHUDBJYGXPCRB-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000022274185 526704738 /nfs/dbraw/zinc/70/47/38/526704738.db2.gz JOVINYGTSMCSPI-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCc3ccco3)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000020934914 526729728 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O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1)N1CCCC1 ZINC000033311448 526774991 /nfs/dbraw/zinc/77/49/91/526774991.db2.gz HDEAWSBCIOWAEF-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000035153201 526782904 /nfs/dbraw/zinc/78/29/04/526782904.db2.gz LIYKDASSAZCBOA-UHFFFAOYSA-N 0 0 437.927 4.599 50 0 IJAARN O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCN(c2ccccc2F)CC1 ZINC000012323320 526798524 /nfs/dbraw/zinc/79/85/24/526798524.db2.gz SXFAHJVPISEWOI-UHFFFAOYSA-N 0 0 428.463 4.562 50 0 IJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000013128315 526799539 /nfs/dbraw/zinc/79/95/39/526799539.db2.gz SFGDKDSOZXNWSR-CYBMUJFWSA-N 0 0 425.539 4.626 50 0 IJAARN O=C(c1ccccc1Br)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605073 526800976 /nfs/dbraw/zinc/80/09/76/526800976.db2.gz AJOMOHMTMYSJQA-UHFFFAOYSA-N 0 0 442.382 4.531 50 0 IJAARN O=C(c1ccccc1F)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611254 526807069 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O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1cc(F)ccc1F ZINC000021726975 527089322 /nfs/dbraw/zinc/08/93/22/527089322.db2.gz JCMKOCUDGDIBEJ-UHFFFAOYSA-N 0 0 447.470 4.954 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000021335857 527102211 /nfs/dbraw/zinc/10/22/11/527102211.db2.gz ZOEGXRHOKUVDSH-UHFFFAOYSA-N 0 0 430.304 4.630 50 0 IJAARN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1I ZINC000012800175 527129017 /nfs/dbraw/zinc/12/90/17/527129017.db2.gz OSZSEENGZMOYQZ-UHFFFAOYSA-N 0 0 439.146 4.624 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(Cl)cc1 ZINC000012600150 527129804 /nfs/dbraw/zinc/12/98/04/527129804.db2.gz RIDNBYVWQJRBFQ-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2o1 ZINC000012746151 527130054 /nfs/dbraw/zinc/13/00/54/527130054.db2.gz NFQWYBJBNCKFJB-UHFFFAOYSA-N 0 0 441.896 4.843 50 0 IJAARN O=C1c2ccccc2C(=O)N1c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000012369114 527131255 /nfs/dbraw/zinc/13/12/55/527131255.db2.gz BMOJIDBAPSJKCZ-UHFFFAOYSA-N 0 0 425.288 4.711 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1)c1ccccc1 ZINC000021705792 527160782 /nfs/dbraw/zinc/16/07/82/527160782.db2.gz FBRUDUZBRZJOIB-JOCHJYFZSA-N 0 0 447.579 4.630 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C/c2ccc3c(c2)OCCO3)s1 ZINC000021841675 527182045 /nfs/dbraw/zinc/18/20/45/527182045.db2.gz UVHAITKVTWMKAD-ZROIWOOFSA-N 0 0 434.304 4.952 50 0 IJAARN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1Br ZINC000012792817 527190120 /nfs/dbraw/zinc/19/01/20/527190120.db2.gz GPXXVCGWIKFQDU-UHFFFAOYSA-N 0 0 429.293 4.825 50 0 IJAARN O=C(Nc1ccc(I)cc1)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000012376034 527220147 /nfs/dbraw/zinc/22/01/47/527220147.db2.gz BOOFHSRUCMARIH-OAHLLOKOSA-N 0 0 432.088 4.745 50 0 IJAARN O=S(=O)(N[C@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000035538301 527240287 /nfs/dbraw/zinc/24/02/87/527240287.db2.gz LDLMMJYFCFVALS-HXUWFJFHSA-N 0 0 439.924 4.652 50 0 IJAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)[C@H]1CCCN(c2ncccn2)C1 ZINC000024749833 527241228 /nfs/dbraw/zinc/24/12/28/527241228.db2.gz AGENZHMWXDPTLP-SFHVURJKSA-N 0 0 438.478 4.524 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360220 527284928 /nfs/dbraw/zinc/28/49/28/527284928.db2.gz BLBODFKTFONFEC-UHFFFAOYSA-N 0 0 446.890 4.936 50 0 IJAARN O=S(=O)(c1cccc(F)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012361565 527285071 /nfs/dbraw/zinc/28/50/71/527285071.db2.gz XWRCPTFVUZAFKN-LJQANCHMSA-N 0 0 425.312 4.728 50 0 IJAARN O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2)CC1 ZINC000020382032 527289058 /nfs/dbraw/zinc/28/90/58/527289058.db2.gz KLFKGILKLIOEII-UHFFFAOYSA-N 0 0 447.535 4.533 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1C(=O)c1cccs1 ZINC000012697416 527300849 /nfs/dbraw/zinc/30/08/49/527300849.db2.gz OMSTUTLDXKRSMG-UHFFFAOYSA-N 0 0 449.557 4.678 50 0 IJAARN Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)C2 ZINC000012754296 527318840 /nfs/dbraw/zinc/31/88/40/527318840.db2.gz LATYXOMKUDWZMS-KXBFYZLASA-N 0 0 440.897 4.567 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883353 527330893 /nfs/dbraw/zinc/33/08/93/527330893.db2.gz IHLYOKAZXVKVAJ-UHFFFAOYSA-N 0 0 441.384 4.855 50 0 IJAARN Cn1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)n1 ZINC000017096857 527334599 /nfs/dbraw/zinc/33/45/99/527334599.db2.gz BJTYQERUOQUTOT-NRFANRHFSA-N 0 0 430.471 4.964 50 0 IJAARN O=C(Cn1cc(Br)ccc1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000012786852 527365888 /nfs/dbraw/zinc/36/58/88/527365888.db2.gz RNXVLQWDHGXCJK-UHFFFAOYSA-N 0 0 433.689 4.695 50 0 IJAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000023043421 527413201 /nfs/dbraw/zinc/41/32/01/527413201.db2.gz HFBDAUJSAMBHOI-HXUWFJFHSA-N 0 0 447.491 4.523 50 0 IJAARN O=c1nc(C(Cl)=Cc2ccc(-n3ccnc3)c(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000012506493 527435165 /nfs/dbraw/zinc/43/51/65/527435165.db2.gz CJBYICBEBGDMJP-ZROIWOOFSA-N 0 0 426.904 4.925 50 0 IJAARN O=C(Nc1ccccc1SCc1cc(=O)n2c(n1)sc1c2CCCC1)c1ccco1 ZINC000020583169 527435562 /nfs/dbraw/zinc/43/55/62/527435562.db2.gz SNHXASDAKUAGSP-UHFFFAOYSA-N 0 0 437.546 4.772 50 0 IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1ccccn1)nc2-c1ccccc1Cl ZINC000035929729 527437484 /nfs/dbraw/zinc/43/74/84/527437484.db2.gz DVGOAMPVEHWMDA-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccccc3)c21 ZINC000012676253 527437645 /nfs/dbraw/zinc/43/76/45/527437645.db2.gz DTBUVWRXMWFIGP-LJQANCHMSA-N 0 0 445.544 4.760 50 0 IJAARN O=c1nc(CSc2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000012880063 527438539 /nfs/dbraw/zinc/43/85/39/527438539.db2.gz LNTCMXNOJBFDHY-UHFFFAOYSA-N 0 0 426.494 4.854 50 0 IJAARN O=C(NC1CCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022647792 527506228 /nfs/dbraw/zinc/50/62/28/527506228.db2.gz IHXJAXJTADYCOW-JOCHJYFZSA-N 0 0 442.401 4.808 50 0 IJAARN O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523328 527508435 /nfs/dbraw/zinc/50/84/35/527508435.db2.gz YQUMULGADGURKS-FQEVSTJZSA-N 0 0 440.956 4.638 50 0 IJAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000022290725 527508899 /nfs/dbraw/zinc/50/88/99/527508899.db2.gz RMKKZUVCTPWMJR-UHFFFAOYSA-N 0 0 433.537 4.827 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000021453260 527547443 /nfs/dbraw/zinc/54/74/43/527547443.db2.gz NFCCPHVIVNOJJB-UHFFFAOYSA-N 0 0 429.263 4.895 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)nc(NC3CCC(NC(=O)c4cccs4)CC3)c12 ZINC000036006101 527554517 /nfs/dbraw/zinc/55/45/17/527554517.db2.gz LFOOZVRJVYJANX-UHFFFAOYSA-N 0 0 446.580 4.647 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cc12 ZINC000012798451 527555960 /nfs/dbraw/zinc/55/59/60/527555960.db2.gz WRDZFYBTIGDNHH-UHFFFAOYSA-N 0 0 445.544 4.836 50 0 IJAARN O=C(NCC1CCCCC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000012607872 527607056 /nfs/dbraw/zinc/60/70/56/527607056.db2.gz PYAYHKIIQNGFIW-UHFFFAOYSA-N 0 0 425.536 4.852 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2n1CCc1ccccc1 ZINC000012539250 527649765 /nfs/dbraw/zinc/64/97/65/527649765.db2.gz UYSHJVIWKRESGA-GOSISDBHSA-N 0 0 433.581 4.749 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012325082 527656336 /nfs/dbraw/zinc/65/63/36/527656336.db2.gz IJELLDCFTOGCFF-LJQANCHMSA-N 0 0 437.849 4.788 50 0 IJAARN O=C(NCCCOC12CC3CC(CC(C3)C1)C2)C1=Cc2cc(Br)ccc2OC1 ZINC000021095802 527681698 /nfs/dbraw/zinc/68/16/98/527681698.db2.gz NDTVZSWSSYUNAV-UHFFFAOYSA-N 0 0 446.385 4.717 50 0 IJAARN FC(F)(F)c1cnc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000033594523 527689001 /nfs/dbraw/zinc/68/90/01/527689001.db2.gz RAZFIKDIMYCYSO-UHFFFAOYSA-N 0 0 435.302 4.926 50 0 IJAARN CCCCC(=O)Nc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000009721137 534954359 /nfs/dbraw/zinc/95/43/59/534954359.db2.gz BBIGHECDZACWJQ-UHFFFAOYSA-N 0 0 433.474 4.797 50 0 IJAARN CC1CCN(c2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2)CC1 ZINC000009410991 535285303 /nfs/dbraw/zinc/28/53/03/535285303.db2.gz KZSIBXQBWOHUFN-UHFFFAOYSA-N 0 0 432.520 4.536 50 0 IJAARN CCOC(=O)c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1N1CCOCC1 ZINC000009906146 535679589 /nfs/dbraw/zinc/67/95/89/535679589.db2.gz TYCDQEBBCYHJPS-UHFFFAOYSA-N 0 0 444.940 4.820 50 0 IJAARN CCOC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000009607264 535779734 /nfs/dbraw/zinc/77/97/34/535779734.db2.gz VIPXMIBZNCJFKO-UHFFFAOYSA-N 0 0 445.498 4.505 50 0 IJAARN COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000002407479 537012837 /nfs/dbraw/zinc/01/28/37/537012837.db2.gz WKYBOVCPHXYNIE-UHFFFAOYSA-N 0 0 428.323 4.753 50 0 IJAARN COc1ccc2c(c1)[nH]c(C(=O)N1CCN(c3ccccn3)CC1)c2Sc1ccccc1 ZINC000009288330 537013046 /nfs/dbraw/zinc/01/30/46/537013046.db2.gz STEQNJUVXGVNOJ-UHFFFAOYSA-N 0 0 444.560 4.685 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)CS2 ZINC000009673023 537046649 /nfs/dbraw/zinc/04/66/49/537046649.db2.gz IMXQBTWESRKPRX-UHFFFAOYSA-N 0 0 432.545 4.573 50 0 IJAARN Cc1ccccc1C(=O)/N=c1\sc2c(n1CC(=O)N(c1ccccc1)C(C)C)CCCC2 ZINC000000624268 555511717 /nfs/dbraw/zinc/51/17/17/555511717.db2.gz TURCEHJILWRXHN-RQZHXJHFSA-N 0 0 447.604 4.920 50 0 IJAARN CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000000633519 555515799 /nfs/dbraw/zinc/51/57/99/555515799.db2.gz QEXOABVXVHHYHK-UHFFFAOYSA-N 0 0 431.355 4.856 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000636655 555517015 /nfs/dbraw/zinc/51/70/15/555517015.db2.gz ZLPSZZCUXSGJQM-UHFFFAOYSA-N 0 0 432.561 4.911 50 0 IJAARN COC(=O)c1ccc(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000650628 555522605 /nfs/dbraw/zinc/52/26/05/555522605.db2.gz VKXGPLFAXZZVQV-UHFFFAOYSA-N 0 0 441.512 4.815 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2c1 ZINC000000668718 555529924 /nfs/dbraw/zinc/52/99/24/555529924.db2.gz ISDGWVBNVCKEKB-UHFFFAOYSA-N 0 0 436.514 4.576 50 0 IJAARN CC(=O)N(C)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000000671250 555531279 /nfs/dbraw/zinc/53/12/79/555531279.db2.gz MONUIRIRJGWULE-UHFFFAOYSA-N 0 0 427.298 4.603 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000000673796 555532547 /nfs/dbraw/zinc/53/25/47/555532547.db2.gz ARVDWRGCGHWDGE-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000000674600 555533492 /nfs/dbraw/zinc/53/34/92/555533492.db2.gz PKEYIUNAESIYSU-MOPGFXCFSA-N 0 0 448.420 4.621 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000000674844 555533708 /nfs/dbraw/zinc/53/37/08/555533708.db2.gz OUULOMTZXUBWJE-UXHICEINSA-N 0 0 444.457 4.824 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000676919 555535201 /nfs/dbraw/zinc/53/52/01/555535201.db2.gz SDGBNAXGIFTYMH-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000676821 555535225 /nfs/dbraw/zinc/53/52/25/555535225.db2.gz YIASIDWOFSVGSM-IBGZPJMESA-N 0 0 444.597 4.782 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000000677249 555535479 /nfs/dbraw/zinc/53/54/79/555535479.db2.gz GBPSGLYLJFGPOL-LFIBNONCSA-N 0 0 426.925 4.817 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000000682897 555538247 /nfs/dbraw/zinc/53/82/47/555538247.db2.gz VBXNDDGSFPPUSE-GFCCVEGCSA-N 0 0 427.136 4.604 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2)n1C ZINC000000687673 555541028 /nfs/dbraw/zinc/54/10/28/555541028.db2.gz SLLDTDNOHHTZBY-UHFFFAOYSA-N 0 0 433.002 4.941 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21)N1CCOCC1 ZINC000000689079 555541336 /nfs/dbraw/zinc/54/13/36/555541336.db2.gz WSOKLSUSGJPUDN-UHFFFAOYSA-N 0 0 431.717 4.790 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000720985 555550169 /nfs/dbraw/zinc/55/01/69/555550169.db2.gz ROXMCSZZHSYYMU-UHFFFAOYSA-N 0 0 436.437 4.786 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1Cl ZINC000000724982 555551385 /nfs/dbraw/zinc/55/13/85/555551385.db2.gz DFOLBDMGOKFASG-UHFFFAOYSA-N 0 0 439.968 4.925 50 0 IJAARN Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000000731946 555553251 /nfs/dbraw/zinc/55/32/51/555553251.db2.gz ALMIETQDAUZPID-UHFFFAOYSA-N 0 0 434.561 4.883 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)cc1OC ZINC000000783860 555555486 /nfs/dbraw/zinc/55/54/86/555555486.db2.gz XGUBHDMKXDSYFW-HNNXBMFYSA-N 0 0 425.403 4.533 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)Nc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000784164 555555888 /nfs/dbraw/zinc/55/58/88/555555888.db2.gz SEHSRKGPFXSUDP-UHFFFAOYSA-N 0 0 433.895 4.876 50 0 biogenic,in-vitro IJAARN COc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3Cc2ccccc2)cc(OC)c1OC ZINC000000789746 555556735 /nfs/dbraw/zinc/55/67/35/555556735.db2.gz HEDKKPPSDKMCDZ-UHFFFAOYSA-N 0 0 431.492 4.671 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 ZINC000000791323 555557129 /nfs/dbraw/zinc/55/71/29/555557129.db2.gz CAIXTFBRMUIVKV-UHFFFAOYSA-N 0 0 445.471 4.885 50 0 biogenic IJAARN Cc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000797722 555558310 /nfs/dbraw/zinc/55/83/10/555558310.db2.gz LZHWOVUDRNDMLU-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000000804642 555559584 /nfs/dbraw/zinc/55/95/84/555559584.db2.gz IPMUTHOLHCJIAG-UHFFFAOYSA-N 0 0 447.944 4.586 50 0 IJAARN O=S(=O)(c1ccccc1)c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000827245 555565436 /nfs/dbraw/zinc/56/54/36/555565436.db2.gz PJPKNAIZBGBURD-UHFFFAOYSA-N 0 0 441.306 4.999 50 0 IJAARN COc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1OC ZINC000000827037 555565440 /nfs/dbraw/zinc/56/54/40/555565440.db2.gz WWLSYIHWEIOAHO-UHFFFAOYSA-N 0 0 448.426 4.746 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)N[C@H](C)c3ccc(OC)cc3)c2)cc1 ZINC000000827188 555565471 /nfs/dbraw/zinc/56/54/71/555565471.db2.gz OFVZVCOOEXHNFQ-QZTJIDSGSA-N 0 0 432.520 4.686 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000000844958 555569020 /nfs/dbraw/zinc/56/90/20/555569020.db2.gz LMLIEECDZMACRE-UHFFFAOYSA-N 0 0 430.361 4.821 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2-c2ccccc2)cc1 ZINC000000863272 555573158 /nfs/dbraw/zinc/57/31/58/555573158.db2.gz MDZWGNVPDRQFQP-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1OC ZINC000000865987 555573869 /nfs/dbraw/zinc/57/38/69/555573869.db2.gz WMWNRYMLTKMMOT-LPHOPBHVSA-N 0 0 446.429 4.813 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3N2)cc1 ZINC000000867058 555574262 /nfs/dbraw/zinc/57/42/62/555574262.db2.gz DKBUYBOADVLOME-HOTGVXAUSA-N 0 0 449.864 4.830 50 0 IJAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1Cl ZINC000000870493 555575166 /nfs/dbraw/zinc/57/51/66/555575166.db2.gz IXQFCGIXAJPMPJ-UHFFFAOYSA-N 0 0 436.368 4.773 50 0 IJAARN CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000000877528 555576506 /nfs/dbraw/zinc/57/65/06/555576506.db2.gz SQTGUTCRPJDJTF-OAHLLOKOSA-N 0 0 434.550 4.636 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000000880255 555577176 /nfs/dbraw/zinc/57/71/76/555577176.db2.gz DWPFADLCRLEYPK-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCOCC2)C1 ZINC000000920989 555584687 /nfs/dbraw/zinc/58/46/87/555584687.db2.gz KTEJHDVUQHYQDL-OAHLLOKOSA-N 0 0 444.572 4.763 50 0 IJAARN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCCc1ccccc1 ZINC000000937476 555586122 /nfs/dbraw/zinc/58/61/22/555586122.db2.gz ZSMKSXRQELDSJL-UHFFFAOYSA-N 0 0 428.970 4.562 50 0 IJAARN CCOC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000000939268 555586525 /nfs/dbraw/zinc/58/65/25/555586525.db2.gz ABYDGSCCCMNULQ-UHFFFAOYSA-N 0 0 439.682 4.606 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 ZINC000000980502 555593242 /nfs/dbraw/zinc/59/32/42/555593242.db2.gz RZLFAXKHCOSBRE-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000000987058 555595038 /nfs/dbraw/zinc/59/50/38/555595038.db2.gz JRQGQFSBJYNQNT-UHFFFAOYSA-N 0 0 427.353 4.666 50 0 IJAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 ZINC000000997650 555599269 /nfs/dbraw/zinc/59/92/69/555599269.db2.gz DPOAXDFPWPJHPS-LLVKDONJSA-N 0 0 443.491 4.601 50 0 IJAARN COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc(OC)c1OC ZINC000000998067 555599604 /nfs/dbraw/zinc/59/96/04/555599604.db2.gz YEWFELXPMAMJAN-ZDUSSCGKSA-N 0 0 447.553 4.716 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c1 ZINC000000999403 555599857 /nfs/dbraw/zinc/59/98/57/555599857.db2.gz NGFZCYZIFJLMFQ-CXMBCZLWSA-N 0 0 436.459 4.911 50 0 IJAARN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)C1 ZINC000000999536 555599867 /nfs/dbraw/zinc/59/98/67/555599867.db2.gz BCKUTQGKCPYHSO-KGLIPLIRSA-N 0 0 428.458 4.774 50 0 IJAARN CC(C)CNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000999605 555600220 /nfs/dbraw/zinc/60/02/20/555600220.db2.gz AKMGOLQNAPHUMG-CABCVRRESA-N 0 0 445.283 4.692 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000001006597 555601076 /nfs/dbraw/zinc/60/10/76/555601076.db2.gz NNEDQWZSMFTWGY-NSHDSACASA-N 0 0 441.119 4.820 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1Br ZINC000001012736 555602181 /nfs/dbraw/zinc/60/21/81/555602181.db2.gz QVIBAXHPRJYCJU-UHFFFAOYSA-N 0 0 445.269 4.564 50 0 IJAARN CCOC(=O)c1nn(-c2cccc(OC)c2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016749 555602896 /nfs/dbraw/zinc/60/28/96/555602896.db2.gz XHYQNZFVKAWOCK-UHFFFAOYSA-N 0 0 426.472 4.956 50 0 IJAARN Cn1c(=O)c2c(nc1SCC(=O)c1ccc(Br)cc1)sc1c2CCCC1 ZINC000001033731 555607159 /nfs/dbraw/zinc/60/71/59/555607159.db2.gz SBGHDTWMHZVXQB-UHFFFAOYSA-N 0 0 449.395 4.611 50 0 IJAARN CCOC(=O)c1sc(/[S@@](C)=N/S(=O)(=O)c2ccc(Cl)cc2)c2c1CCC=C2 ZINC000001038696 555609189 /nfs/dbraw/zinc/60/91/89/555609189.db2.gz YMQUNJSGWXHHQE-SANMLTNESA-N 0 0 443.999 4.717 50 0 IJAARN COc1cc2c(=O)oc(-c3c(C)onc3-c3c(F)cccc3Cl)nc2c(OC)c1OC ZINC000001042541 555610290 /nfs/dbraw/zinc/61/02/90/555610290.db2.gz XBRLVDCGSNIQNM-UHFFFAOYSA-N 0 0 446.818 4.637 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCc1cccnc1)c1ccc(Cl)cc1 ZINC000001052794 555613551 /nfs/dbraw/zinc/61/35/51/555613551.db2.gz LSJPPDZSVOJFSM-UHFFFAOYSA-N 0 0 443.887 4.974 50 0 IJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OC4CCC(C)CC4)c(C)c3C(=O)C2)c1 ZINC000001058331 555615211 /nfs/dbraw/zinc/61/52/11/555615211.db2.gz LOMDEZWCJLALIB-WIHSUSGWSA-N 0 0 425.525 4.989 50 0 IJAARN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000001060590 555616086 /nfs/dbraw/zinc/61/60/86/555616086.db2.gz TYYFVIGHBGGLNA-UHFFFAOYSA-N 0 0 428.735 4.761 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)cc1OC ZINC000001066739 555618678 /nfs/dbraw/zinc/61/86/78/555618678.db2.gz WDAFIWFDHZOXJB-UHFFFAOYSA-N 0 0 449.326 4.607 50 0 IJAARN CCc1nnc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)s1 ZINC000001073682 555622819 /nfs/dbraw/zinc/62/28/19/555622819.db2.gz GXMXUATZQQPYQM-UHFFFAOYSA-N 0 0 440.326 4.726 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3c(Cl)cccc23)cc1OC ZINC000001073815 555622872 /nfs/dbraw/zinc/62/28/72/555622872.db2.gz AXQAVRPPZSISNQ-UHFFFAOYSA-N 0 0 447.922 4.940 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2ccccc2OC)cc1 ZINC000001077462 555624955 /nfs/dbraw/zinc/62/49/55/555624955.db2.gz POQGTRAJMRVUPN-BJKOFHAPSA-N 0 0 431.488 4.716 50 0 IJAARN CC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001078344 555625220 /nfs/dbraw/zinc/62/52/20/555625220.db2.gz PUXSCKGHYPDZGP-DEOSSOPVSA-N 0 0 437.503 4.922 50 0 IJAARN Brc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2cccnc2)cc1 ZINC000001105469 555629203 /nfs/dbraw/zinc/62/92/03/555629203.db2.gz BMSKSJWNYYVBDV-QGZVFWFLSA-N 0 0 431.359 4.753 50 0 IJAARN O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000001108337 555629801 /nfs/dbraw/zinc/62/98/01/555629801.db2.gz VGASMRQNILDAJW-HSZRJFAPSA-N 0 0 433.305 4.713 50 0 IJAARN COc1cc(Br)cc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)oc21 ZINC000001108782 555630201 /nfs/dbraw/zinc/63/02/01/555630201.db2.gz ISJRTZKAYYIXDE-UHFFFAOYSA-N 0 0 442.187 4.835 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)cc1 ZINC000001113974 555633134 /nfs/dbraw/zinc/63/31/34/555633134.db2.gz OVKCPPLOSNNLQB-UHFFFAOYSA-N 0 0 431.517 4.940 50 0 IJAARN O=C(CSc1nc2ccccc2s1)Nc1cccc(I)c1 ZINC000001114044 555633531 /nfs/dbraw/zinc/63/35/31/555633531.db2.gz JCKRGUYPJLXBDJ-UHFFFAOYSA-N 0 0 426.304 4.632 50 0 IJAARN CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000001117425 555635087 /nfs/dbraw/zinc/63/50/87/555635087.db2.gz YBSFBOZIDDDLQC-UHFFFAOYSA-N 0 0 426.582 4.799 50 0 IJAARN COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccc(F)cc2)cc1OC ZINC000001118764 555636127 /nfs/dbraw/zinc/63/61/27/555636127.db2.gz FUBBIJCXUCYZTK-UHFFFAOYSA-N 0 0 446.482 4.596 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000001123684 555639441 /nfs/dbraw/zinc/63/94/41/555639441.db2.gz DXXCKCFOIGJSMV-UHFFFAOYSA-N 0 0 426.582 4.735 50 0 IJAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000001126171 555640727 /nfs/dbraw/zinc/64/07/27/555640727.db2.gz ZIDVFLUUUDRSEE-UHFFFAOYSA-N 0 0 428.513 4.906 50 0 IJAARN Cc1ccccc1Cn1ccc(NC(=O)[C@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)n1 ZINC000001126253 555641046 /nfs/dbraw/zinc/64/10/46/555641046.db2.gz MQBRGSGWBCNKRG-LJQANCHMSA-N 0 0 429.307 4.678 50 0 IJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000001128008 555642176 /nfs/dbraw/zinc/64/21/76/555642176.db2.gz GODREBVPRMLYMZ-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC[C@@H](C)C3 ZINC000001141311 555650025 /nfs/dbraw/zinc/65/00/25/555650025.db2.gz UZYICUILJDAKPP-CYBMUJFWSA-N 0 0 441.622 4.721 50 0 IJAARN CN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001143579 555651491 /nfs/dbraw/zinc/65/14/91/555651491.db2.gz LIZHIOCAMHZXJL-UHFFFAOYSA-N 0 0 442.151 4.559 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1 ZINC000001144748 555652439 /nfs/dbraw/zinc/65/24/39/555652439.db2.gz YWXPXFHOLFIKFH-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1cc(I)cc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 ZINC000001145117 555652601 /nfs/dbraw/zinc/65/26/01/555652601.db2.gz HKWRZLXIPLYYDN-UHFFFAOYSA-N 0 0 437.306 4.515 50 0 IJAARN Cc1sc2nc(SCC(=O)N3CCCC[C@@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000001145852 555653198 /nfs/dbraw/zinc/65/31/98/555653198.db2.gz ADKNSEJXUNOYOO-AWEZNQCLSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000001146094 555653522 /nfs/dbraw/zinc/65/35/22/555653522.db2.gz IMCSMOMXKZLQDD-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccncc2)cc1 ZINC000001146204 555653625 /nfs/dbraw/zinc/65/36/25/555653625.db2.gz KTBMBCKADKALSY-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1I ZINC000001146614 555653754 /nfs/dbraw/zinc/65/37/54/555653754.db2.gz BZVBMIMUOXJJKF-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000001147685 555654310 /nfs/dbraw/zinc/65/43/10/555654310.db2.gz COUYBRJPNRTJBN-UHFFFAOYSA-N 0 0 436.533 4.640 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000001149163 555655539 /nfs/dbraw/zinc/65/55/39/555655539.db2.gz DQKXBWKDLYBOPF-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CSc1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001151317 555656452 /nfs/dbraw/zinc/65/64/52/555656452.db2.gz LZHJQXARQVUHKA-UHFFFAOYSA-N 0 0 426.563 4.551 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000001154669 555658135 /nfs/dbraw/zinc/65/81/35/555658135.db2.gz HVHLZYZYOOUTBD-UHFFFAOYSA-N 0 0 427.551 4.695 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000001154707 555658160 /nfs/dbraw/zinc/65/81/60/555658160.db2.gz JYSITHGHGFDHBH-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000001161678 555662106 /nfs/dbraw/zinc/66/21/06/555662106.db2.gz YVHPQQUNZJXPFI-SGPNVBEDSA-N 0 0 432.879 4.758 50 0 IJAARN COC(=O)c1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001169140 555665551 /nfs/dbraw/zinc/66/55/51/555665551.db2.gz WHJMWNHKPMOPSR-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2Cl)cc1 ZINC000001169132 555665682 /nfs/dbraw/zinc/66/56/82/555665682.db2.gz QXSKWUWSOPYBSG-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001171231 555666709 /nfs/dbraw/zinc/66/67/09/555666709.db2.gz CWDJRNHWNPGNGD-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F ZINC000001171808 555667342 /nfs/dbraw/zinc/66/73/42/555667342.db2.gz NWBMPEBCQCRGQU-NVNXTCNLSA-N 0 0 425.268 4.808 50 0 IJAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC ZINC000001172370 555667515 /nfs/dbraw/zinc/66/75/15/555667515.db2.gz ZTIAHUZKIGRAIL-UHFFFAOYSA-N 0 0 436.961 4.971 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001177655 555670262 /nfs/dbraw/zinc/67/02/62/555670262.db2.gz FEUCXESWLOYBON-CQSZACIVSA-N 0 0 445.357 4.747 50 0 IJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000001179624 555671167 /nfs/dbraw/zinc/67/11/67/555671167.db2.gz NLJZVPMXCNDUPX-ZHACJKMWSA-N 0 0 425.897 4.712 50 0 IJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Br)cc1 ZINC000001182297 555672243 /nfs/dbraw/zinc/67/22/43/555672243.db2.gz QVULFCPBNLWOLF-UHFFFAOYSA-N 0 0 437.297 4.509 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000001185196 555673699 /nfs/dbraw/zinc/67/36/99/555673699.db2.gz YNWUCWXSHLSQKK-UHFFFAOYSA-N 0 0 428.732 4.662 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1Cc1ccccc1)Nc1ccccc1 ZINC000001185013 555673703 /nfs/dbraw/zinc/67/37/03/555673703.db2.gz IWALEELEVHRRFY-OAQYLSRUSA-N 0 0 449.963 4.871 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000001188329 555675214 /nfs/dbraw/zinc/67/52/14/555675214.db2.gz OXLWWHVKNYFKOR-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001189244 555675554 /nfs/dbraw/zinc/67/55/54/555675554.db2.gz HRMPSTLMLQTUFW-XMMPIXPASA-N 0 0 444.487 4.859 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)OC)c1C ZINC000001200994 555678536 /nfs/dbraw/zinc/67/85/36/555678536.db2.gz KHJZRGKKXIDZRB-UHFFFAOYSA-N 0 0 443.352 4.884 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001203891 555679666 /nfs/dbraw/zinc/67/96/66/555679666.db2.gz CYIYHBZHJFMSOU-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000001206019 555680267 /nfs/dbraw/zinc/68/02/67/555680267.db2.gz KDYWLVYWBSQMAG-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000001206035 555680292 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555704873 /nfs/dbraw/zinc/70/48/73/555704873.db2.gz DDHCZDUCHGVJFV-UHFFFAOYSA-N 0 0 445.089 4.899 50 0 IJAARN CCCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1OC)c2=O ZINC000001748245 555712036 /nfs/dbraw/zinc/71/20/36/555712036.db2.gz SPNAPBNGJZLXFU-UHFFFAOYSA-N 0 0 436.382 4.819 50 0 IJAARN Cc1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000002059457 555731504 /nfs/dbraw/zinc/73/15/04/555731504.db2.gz KIHNGIYXYLPAHD-UHFFFAOYSA-N 0 0 434.304 4.803 50 0 IJAARN CCCCOC(=O)CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062950 555732518 /nfs/dbraw/zinc/73/25/18/555732518.db2.gz JHEQNBXYJAKOBB-HDLCADABSA-N 0 0 445.559 4.782 50 0 IJAARN COCCOC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCC2 ZINC000002084413 555739467 /nfs/dbraw/zinc/73/94/67/555739467.db2.gz VSXUBTLQXAXDGI-UHFFFAOYSA-N 0 0 429.872 4.614 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2 ZINC000002092784 555741444 /nfs/dbraw/zinc/74/14/44/555741444.db2.gz APRROCUMRVKTDW-VIIAAUOXSA-N 0 0 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CCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1 ZINC000002442631 555779472 /nfs/dbraw/zinc/77/94/72/555779472.db2.gz ZVXQNUWSXHJEPP-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000002454272 555782566 /nfs/dbraw/zinc/78/25/66/555782566.db2.gz DKGHDUWPSFXNIC-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1 ZINC000002474745 555783451 /nfs/dbraw/zinc/78/34/51/555783451.db2.gz MJVVBWQZFWJWOP-KXBFYZLASA-N 0 0 444.413 4.833 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)N2C(=O)CCSC2=N1 ZINC000002502031 555784594 /nfs/dbraw/zinc/78/45/94/555784594.db2.gz GRBQACZSQJGKIQ-HXUWFJFHSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1ccc(NC(=O)c2coc(CN3CCN(Cc4ccccc4Cl)CC3)n2)cc1C ZINC000034678165 555796752 /nfs/dbraw/zinc/79/67/52/555796752.db2.gz FMMQWKXMKSLSBT-UHFFFAOYSA-N 0 0 438.959 4.515 50 0 IJAARN O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002667191 555796785 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O=C1C[C@H](Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C(=O)N1c1ccccc1 ZINC000002835444 555832619 /nfs/dbraw/zinc/83/26/19/555832619.db2.gz OPTMCRNAHJZLKU-INIZCTEOSA-N 0 0 429.423 4.587 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000002846619 555838039 /nfs/dbraw/zinc/83/80/39/555838039.db2.gz PRQTZBSZZOKDNY-ZDUSSCGKSA-N 0 0 434.924 4.961 50 0 IJAARN CSc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000002854701 555841072 /nfs/dbraw/zinc/84/10/72/555841072.db2.gz FCUAEROZPYVWJP-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000002871341 555850016 /nfs/dbraw/zinc/85/00/16/555850016.db2.gz IBRVBWDBZMPJKN-JOCHJYFZSA-N 0 0 431.419 4.699 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002881015 555855230 /nfs/dbraw/zinc/85/52/30/555855230.db2.gz KUQZPCMPGMOEKW-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000002882976 555856514 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Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000003011215 555879115 /nfs/dbraw/zinc/87/91/15/555879115.db2.gz MZDHYSBWENJSLQ-HNAYVOBHSA-N 0 0 444.413 4.833 50 0 IJAARN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccs2)C1 ZINC000034739985 555882975 /nfs/dbraw/zinc/88/29/75/555882975.db2.gz YPHGBBIORDRNMP-LADGPHEKSA-N 0 0 432.589 4.929 50 0 IJAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000003062939 555884082 /nfs/dbraw/zinc/88/40/82/555884082.db2.gz IVKLTXNLNLZXFR-LQDNNDEMSA-N 0 0 444.328 4.898 50 0 IJAARN COC(=O)c1cccn2cc(CSc3nc4ccccc4c(=O)n3C3CCCCC3)nc12 ZINC000010547998 555887648 /nfs/dbraw/zinc/88/76/48/555887648.db2.gz WWSAWZIYEYRFQA-UHFFFAOYSA-N 0 0 448.548 4.628 50 0 IJAARN CC(C)(C)C(=O)Nc1cc(C(=O)Nc2ccccc2O)cc(C(=O)Nc2ccccc2O)c1 ZINC000003144207 555891719 /nfs/dbraw/zinc/89/17/19/555891719.db2.gz XCNNKGWSMZROTN-UHFFFAOYSA-N 0 0 447.491 4.587 50 0 IJAARN COc1ccccc1CN1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034755679 555900758 /nfs/dbraw/zinc/90/07/58/555900758.db2.gz RYCFULMWQKVUPL-UHFFFAOYSA-N 0 0 430.552 4.826 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813334 555910095 /nfs/dbraw/zinc/91/00/95/555910095.db2.gz DIZCOEHAMQCYQM-UHFFFAOYSA-N 0 0 445.494 4.785 50 0 IJAARN Cc1sc2nc(SCC(=O)N(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000003266156 555911279 /nfs/dbraw/zinc/91/12/79/555911279.db2.gz QLIFRTJXQLMCBG-UHFFFAOYSA-N 0 0 435.574 4.603 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000034904828 555919279 /nfs/dbraw/zinc/91/92/79/555919279.db2.gz MYWOHCGLVSJWEF-MRXNPFEDSA-N 0 0 438.494 4.616 50 0 IJAARN CCCN(CC(=O)Nc1nnc(-c2cccc(C)c2)s1)C(=O)[C@@H](CC)c1ccccc1 ZINC000034883082 555926661 /nfs/dbraw/zinc/92/66/61/555926661.db2.gz RBHIWJQGCYBIPR-FQEVSTJZSA-N 0 0 436.581 4.884 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N[C@H](C)C(C)(C)C)cc2)n1 ZINC000034899306 555928942 /nfs/dbraw/zinc/92/89/42/555928942.db2.gz YHZGSDJVPCALNG-QGZVFWFLSA-N 0 0 449.551 4.889 50 0 IJAARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CNc1ccccc1 ZINC000004015341 555952852 /nfs/dbraw/zinc/95/28/52/555952852.db2.gz CVOIDFUWUBQWMY-UHFFFAOYSA-N 0 0 445.313 4.655 50 0 IJAARN COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c(OC)c1OC ZINC000004289870 555983163 /nfs/dbraw/zinc/98/31/63/555983163.db2.gz LFAXLQSQPWSLRN-UHFFFAOYSA-N 0 0 434.208 4.746 50 0 IJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000004911866 556020843 /nfs/dbraw/zinc/02/08/43/556020843.db2.gz RHLIFDGFLZBUMK-HNNXBMFYSA-N 0 0 429.513 4.609 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2)o1 ZINC000010562789 556067853 /nfs/dbraw/zinc/06/78/53/556067853.db2.gz JNWIIKONOJAEIR-AWEZNQCLSA-N 0 0 429.856 4.705 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)n1C1CCCCC1 ZINC000006140800 556076999 /nfs/dbraw/zinc/07/69/99/556076999.db2.gz AHSAPUAAKJKMJC-UHFFFAOYSA-N 0 0 428.602 5.000 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1 ZINC000006136569 556077112 /nfs/dbraw/zinc/07/71/12/556077112.db2.gz SILYQBDYHFJSNT-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN Cc1nc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)sc1C(=O)N(C)C ZINC000006429668 556087324 /nfs/dbraw/zinc/08/73/24/556087324.db2.gz RLCPSSDWNZUSMG-UHFFFAOYSA-N 0 0 445.548 4.633 50 0 IJAARN COc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc(OC)c1OC ZINC000006906477 556109883 /nfs/dbraw/zinc/10/98/83/556109883.db2.gz QKDTXPPLRFEODE-UHFFFAOYSA-N 0 0 437.308 4.852 50 0 IJAARN Clc1cccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2ccccc23)c1 ZINC000002693084 556120581 /nfs/dbraw/zinc/12/05/81/556120581.db2.gz TWVFZWROQOHAFP-UHFFFAOYSA-N 0 0 429.867 4.939 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002690552 556121787 /nfs/dbraw/zinc/12/17/87/556121787.db2.gz GYLZMTZSWDZODR-UHFFFAOYSA-N 0 0 443.474 4.754 50 0 IJAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)CCS2 ZINC000002719853 556126150 /nfs/dbraw/zinc/12/61/50/556126150.db2.gz SKTRAMAKUUHXAZ-UHFFFAOYSA-N 0 0 444.965 4.518 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000002723398 556128518 /nfs/dbraw/zinc/12/85/18/556128518.db2.gz BKWPNHLUWQBSOX-NSHDSACASA-N 0 0 430.020 4.598 50 0 IJAARN O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)N1CCc2ccccc21 ZINC000002716454 556131014 /nfs/dbraw/zinc/13/10/14/556131014.db2.gz WLYKYRCCFUUXCU-UHFFFAOYSA-N 0 0 446.934 4.507 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)cc1 ZINC000002716588 556131312 /nfs/dbraw/zinc/13/13/12/556131312.db2.gz FQHJJGPOOPFUTA-UHFFFAOYSA-N 0 0 444.531 4.610 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3c(c2=O)SCC3)cc1 ZINC000002719752 556131911 /nfs/dbraw/zinc/13/19/11/556131911.db2.gz ANSUJUQSDFKJBZ-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN CCn1cc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c3ccccc3n2)cn1 ZINC000002805248 556143255 /nfs/dbraw/zinc/14/32/55/556143255.db2.gz JSZMZIXMWBWFBJ-UHFFFAOYSA-N 0 0 440.482 4.754 50 0 IJAARN CCCCCCNC(=O)CSc1nnc(-c2cc(Br)cs2)n1CC ZINC000002791588 556143989 /nfs/dbraw/zinc/14/39/89/556143989.db2.gz GNHGJCDDXAZRKX-UHFFFAOYSA-N 0 0 431.425 4.578 50 0 IJAARN CCOc1ccccc1C(=O)Nc1cc(OC)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002795282 556145225 /nfs/dbraw/zinc/14/52/25/556145225.db2.gz AXWJABURESMDGE-UHFFFAOYSA-N 0 0 445.924 4.832 50 0 IJAARN CCc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(CC)cc2)cc1 ZINC000002938502 556150138 /nfs/dbraw/zinc/15/01/38/556150138.db2.gz KGDLAHDGKJMAQR-RUZDIDTESA-N 0 0 443.543 4.579 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)C1CCCCC1 ZINC000002975115 556153268 /nfs/dbraw/zinc/15/32/68/556153268.db2.gz PYAVQMIGVGICKT-JOCHJYFZSA-N 0 0 427.570 4.516 50 0 IJAARN C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/C=C/C)cc2)cc1 ZINC000003022588 556157375 /nfs/dbraw/zinc/15/73/75/556157375.db2.gz VRDSSXUEAUMRSW-MIIZMDLZSA-N 0 0 436.533 4.661 50 0 IJAARN Cc1cccc(OCCCOc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000008426264 556168849 /nfs/dbraw/zinc/16/88/49/556168849.db2.gz VFWFYIXXUXWPNS-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN CSc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000008433397 556172700 /nfs/dbraw/zinc/17/27/00/556172700.db2.gz JDZNDJYRPGTQAF-OAQYLSRUSA-N 0 0 438.574 4.802 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000008444554 556178940 /nfs/dbraw/zinc/17/89/40/556178940.db2.gz NGFZCYZIFJLMFQ-XQAQDONZSA-N 0 0 436.459 4.911 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)c1 ZINC000008444427 556179025 /nfs/dbraw/zinc/17/90/25/556179025.db2.gz JFAOHFRJMNEERR-MJXNMMHHSA-N 0 0 430.430 4.849 50 0 IJAARN FC(F)(F)c1ccc(-c2nc(-c3cccnc3)ncc2-c2nnnn2-c2ccccc2)cc1 ZINC000008445464 556179663 /nfs/dbraw/zinc/17/96/63/556179663.db2.gz DUMBLMDHRVHOGD-UHFFFAOYSA-N 0 0 445.408 4.867 50 0 IJAARN COc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000008586966 556188273 /nfs/dbraw/zinc/18/82/73/556188273.db2.gz BKJRSANPIJHPQH-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(Cc3cccs3)C2=O)c1 ZINC000008591759 556189279 /nfs/dbraw/zinc/18/92/79/556189279.db2.gz DMEPKPZQXQXTJS-HXUWFJFHSA-N 0 0 437.496 4.562 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(OC)c2)C3=O)cc1 ZINC000008594966 556190247 /nfs/dbraw/zinc/19/02/47/556190247.db2.gz PWHMBDDBKAJKRG-AREMUKBSSA-N 0 0 444.556 4.737 50 0 IJAARN Cc1ccc2occ(CC(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000008611973 556191990 /nfs/dbraw/zinc/19/19/90/556191990.db2.gz PMXFZBONQCTPOC-QFIPXVFZSA-N 0 0 439.577 4.623 50 0 IJAARN CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc5cccc(c54)C3=O)cc21 ZINC000008666169 556197655 /nfs/dbraw/zinc/19/76/55/556197655.db2.gz YTWOPTMZSPJZRV-UHFFFAOYSA-N 0 0 426.472 4.649 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc4ccccc34)cc2)CC1 ZINC000008721757 556203085 /nfs/dbraw/zinc/20/30/85/556203085.db2.gz WFXLROOCJWPSQR-NTEUORMPSA-N 0 0 434.561 4.912 50 0 IJAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]1C2 ZINC000008770491 556213213 /nfs/dbraw/zinc/21/32/13/556213213.db2.gz JRRKPNAZHJRATO-OAQYLSRUSA-N 0 0 446.528 4.555 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008950609 556235798 /nfs/dbraw/zinc/23/57/98/556235798.db2.gz LBDWYNZPCRTNJX-UHFFFAOYSA-N 0 0 429.501 4.960 50 0 IJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@@H]2c1cccnc1 ZINC000008974226 556237985 /nfs/dbraw/zinc/23/79/85/556237985.db2.gz MKNPZHNOKMFRKE-LJQANCHMSA-N 0 0 427.851 4.831 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc(-c3ccccc3F)s2)c1C ZINC000097549003 556247915 /nfs/dbraw/zinc/24/79/15/556247915.db2.gz VVTJZLJMDKYRIP-GOSISDBHSA-N 0 0 441.553 4.720 50 0 IJAARN O=C(c1ccc(F)cc1)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000009129579 556248473 /nfs/dbraw/zinc/24/84/73/556248473.db2.gz GCEBOPBFGSEWKU-IBGZPJMESA-N 0 0 447.915 4.569 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197069 556255181 /nfs/dbraw/zinc/25/51/81/556255181.db2.gz ICDSDOBZBRGIJJ-UXHICEINSA-N 0 0 441.988 4.763 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225774 556259839 /nfs/dbraw/zinc/25/98/39/556259839.db2.gz SEGJENHKZZHTMI-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009239562 556265744 /nfs/dbraw/zinc/26/57/44/556265744.db2.gz SAOWBFHCLXGKMQ-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239275 556265759 /nfs/dbraw/zinc/26/57/59/556265759.db2.gz YDDQTKMGXKRZFL-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239635 556266378 /nfs/dbraw/zinc/26/63/78/556266378.db2.gz DOYDBBGNGXANEV-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239617 556266410 /nfs/dbraw/zinc/26/64/10/556266410.db2.gz OBTIDEVKRCBFPP-VXKWHMMOSA-N 0 0 435.597 4.808 50 0 IJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009288692 556273354 /nfs/dbraw/zinc/27/33/54/556273354.db2.gz HQUNVWLBFQGUKT-MRXNPFEDSA-N 0 0 436.870 4.702 50 0 IJAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3-c3cncc(Br)c3)s2)cc1 ZINC000013684254 556275224 /nfs/dbraw/zinc/27/52/24/556275224.db2.gz CTCLJTOMSCHYLY-UHFFFAOYSA-N 0 0 444.358 4.887 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4cccc(F)c4)c(C)c13)CCC(C)(C)O2 ZINC000013689773 556278971 /nfs/dbraw/zinc/27/89/71/556278971.db2.gz FDHQLLXCUQLOAP-UHFFFAOYSA-N 0 0 425.456 4.534 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccnc1Cl ZINC000013720344 556289393 /nfs/dbraw/zinc/28/93/93/556289393.db2.gz FIZVOUWGFPMDDM-UHFFFAOYSA-N 0 0 445.972 4.957 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(OC)c1 ZINC000009498202 556295070 /nfs/dbraw/zinc/29/50/70/556295070.db2.gz QXEVVCIOGYZCMV-UHFFFAOYSA-N 0 0 436.459 4.723 50 0 IJAARN O=c1n2nc(-c3cccnc3)nc2c2c3c(sc2n1Cc1ccccc1Cl)CCCC3 ZINC000013731357 556295864 /nfs/dbraw/zinc/29/58/64/556295864.db2.gz JJWNKOYWDWYHGS-UHFFFAOYSA-N 0 0 447.951 4.748 50 0 IJAARN COc1ccc(CC(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(OC)cc2)cc1 ZINC000013759397 556301851 /nfs/dbraw/zinc/30/18/51/556301851.db2.gz BGJSJWKXNHZGLX-UHFFFAOYSA-N 0 0 442.515 4.630 50 0 IJAARN Cc1sc2[nH]c(SCC(=O)N[C@H](C)c3ccco3)nc(=O)c2c1-c1ccccc1 ZINC000032745429 556315362 /nfs/dbraw/zinc/31/53/62/556315362.db2.gz HNHWARLAMJKMSC-GFCCVEGCSA-N 0 0 425.535 4.523 50 0 IJAARN CCOCCOC(=O)[C@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000013829504 556316685 /nfs/dbraw/zinc/31/66/85/556316685.db2.gz MIJLZGZLQLAQCM-LBPRGKRZSA-N 0 0 433.810 4.893 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000009934243 556317800 /nfs/dbraw/zinc/31/78/00/556317800.db2.gz HMPGCPWXYLNTLI-QFIPXVFZSA-N 0 0 449.457 4.639 50 0 IJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccc(Br)cc1 ZINC000003073292 556318863 /nfs/dbraw/zinc/31/88/63/556318863.db2.gz WPKFDVCXOOILGI-UHFFFAOYSA-N 0 0 439.132 4.982 50 0 IJAARN CCc1cc2c(CN3CCN([C@H](C)c4nc5ccccc5s4)CC3)cc(=O)oc2cc1O ZINC000032759557 556319733 /nfs/dbraw/zinc/31/97/33/556319733.db2.gz JELFTJCTKBIQNF-MRXNPFEDSA-N 0 0 449.576 4.550 50 0 IJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)sc2c1 ZINC000013857236 556321324 /nfs/dbraw/zinc/32/13/24/556321324.db2.gz URHOZZUHMNHAAR-HNNXBMFYSA-N 0 0 440.521 4.537 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000010021747 556322681 /nfs/dbraw/zinc/32/26/81/556322681.db2.gz BRFKRBJOVGIISK-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN O=c1ccc2cc(S(=O)(=O)Nc3cccc(-c4nc5ccccc5s4)c3)ccc2o1 ZINC000032754928 556324410 /nfs/dbraw/zinc/32/44/10/556324410.db2.gz NIJNVUKCJTXIEB-UHFFFAOYSA-N 0 0 434.498 4.871 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3o2)nc1-c1ccccc1 ZINC000010060489 556324740 /nfs/dbraw/zinc/32/47/40/556324740.db2.gz GHPOYWQAEHPJMZ-UHFFFAOYSA-N 0 0 439.518 4.859 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000010078988 556325320 /nfs/dbraw/zinc/32/53/20/556325320.db2.gz WNRWXCIOLYBXKN-XMMPIXPASA-N 0 0 438.543 4.591 50 0 IJAARN COc1cc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc(OC)c1OC ZINC000010156586 556326967 /nfs/dbraw/zinc/32/69/67/556326967.db2.gz IGMLWBCRLQNKNW-MRXNPFEDSA-N 0 0 433.508 4.776 50 0 IJAARN O=c1oc2ccccc2n1CCSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000032777004 556327250 /nfs/dbraw/zinc/32/72/50/556327250.db2.gz GGCUODVXZXXIHK-UHFFFAOYSA-N 0 0 442.928 4.546 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 ZINC000010231109 556327933 /nfs/dbraw/zinc/32/79/33/556327933.db2.gz OGOYHZKJSFWGLC-UHFFFAOYSA-N 0 0 435.475 4.746 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000032777947 556331275 /nfs/dbraw/zinc/33/12/75/556331275.db2.gz PSDYWNWTJGDYCT-UHFFFAOYSA-N 0 0 431.414 4.601 50 0 IJAARN COc1cc(CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C2CC2)ccc1OC(F)F ZINC000032772477 556335205 /nfs/dbraw/zinc/33/52/05/556335205.db2.gz XBWNHEASZTUXOC-UHFFFAOYSA-N 0 0 439.842 4.526 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000013936387 556336267 /nfs/dbraw/zinc/33/62/67/556336267.db2.gz OVESEOYFPCCNOQ-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2Br)cc1NC(=O)c1ccccc1 ZINC000010774148 556337931 /nfs/dbraw/zinc/33/79/31/556337931.db2.gz DCHIAKICVUEZJW-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN C[C@H](Oc1ccc2[nH]nc(C=Cc3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl ZINC000097758759 556338024 /nfs/dbraw/zinc/33/80/24/556338024.db2.gz GKJCVYLDJWTWQU-OHVSUOQFSA-N 0 0 444.322 4.764 50 0 in-man IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CCc4ccccc4)s3)CC2=O)cc1Cl ZINC000013942540 556340040 /nfs/dbraw/zinc/34/00/40/556340040.db2.gz XMNQHQTUFLHWML-INIZCTEOSA-N 0 0 440.956 4.592 50 0 IJAARN COCCCN1C(=S)N=NC1c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013960931 556348305 /nfs/dbraw/zinc/34/83/05/556348305.db2.gz XUSXANMTMPTYCE-UHFFFAOYSA-N 0 0 446.580 4.759 50 0 IJAARN CSc1nnc(CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)n1C1CCCC1 ZINC000014017754 556356014 /nfs/dbraw/zinc/35/60/14/556356014.db2.gz IQOPDWZLWLLUGA-UHFFFAOYSA-N 0 0 428.533 4.877 50 0 IJAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000011813740 556357118 /nfs/dbraw/zinc/35/71/18/556357118.db2.gz XXCVVYOOZYWQBF-URXFXBBRSA-N 0 0 428.935 4.814 50 0 IJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000014043439 556358557 /nfs/dbraw/zinc/35/85/57/556358557.db2.gz HONUVMNOPRIQJU-UHFFFAOYSA-N 0 0 448.529 4.890 50 0 IJAARN COc1ccc(OCc2noc(CN3CCc4sccc4[C@@H]3c3ccccc3)n2)cc1 ZINC000014076999 556362115 /nfs/dbraw/zinc/36/21/15/556362115.db2.gz JFWMNUOZGYONEA-DEOSSOPVSA-N 0 0 433.533 4.866 50 0 IJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000032796625 556362140 /nfs/dbraw/zinc/36/21/40/556362140.db2.gz AEOGSUXOJGDGJV-CQSZACIVSA-N 0 0 428.330 4.785 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014083507 556363266 /nfs/dbraw/zinc/36/32/66/556363266.db2.gz HBAYWMHBWYSLEQ-HSZRJFAPSA-N 0 0 431.536 4.557 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000014108514 556368761 /nfs/dbraw/zinc/36/87/61/556368761.db2.gz XEWAMYZBWWESMD-HXUWFJFHSA-N 0 0 429.879 4.629 50 0 IJAARN CCCCNc1nnc(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1 ZINC000014110765 556369557 /nfs/dbraw/zinc/36/95/57/556369557.db2.gz HGJUECWTGVDJAO-UHFFFAOYSA-N 0 0 426.567 4.977 50 0 IJAARN O=C(NCc1cc(F)cc(C(F)(F)F)c1)c1cn(Cc2cccc3ccccc32)nn1 ZINC000011879870 556372230 /nfs/dbraw/zinc/37/22/30/556372230.db2.gz BWZMEDXZMMPTSK-UHFFFAOYSA-N 0 0 428.389 4.568 50 0 IJAARN COCCn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1ccc(Cl)cc1 ZINC000014124479 556372878 /nfs/dbraw/zinc/37/28/78/556372878.db2.gz SJGWEHUCWGWRFX-UHFFFAOYSA-N 0 0 427.957 4.709 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc(-c4cccnc4)o3)n2)cc1 ZINC000014125620 556373557 /nfs/dbraw/zinc/37/35/57/556373557.db2.gz CYUPMRPLTYNCIM-ZDUSSCGKSA-N 0 0 437.550 4.937 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(NCc3ccc(N4CCCC4=O)cc3)c2c1C ZINC000014141861 556376734 /nfs/dbraw/zinc/37/67/34/556376734.db2.gz KAEVKEPBQKIZJO-UHFFFAOYSA-N 0 0 435.597 4.643 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CC=CC[C@@H]1C(=O)N1CCCC1 ZINC000014161203 556378198 /nfs/dbraw/zinc/37/81/98/556378198.db2.gz JUQWHAAUWYYIPU-KBPBESRZSA-N 0 0 445.279 4.611 50 0 IJAARN CN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000014184945 556385094 /nfs/dbraw/zinc/38/50/94/556385094.db2.gz CYVBQVNRTKIWDY-UHFFFAOYSA-N 0 0 437.927 4.797 50 0 IJAARN COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)c(Cl)c1Cl ZINC000014186297 556386114 /nfs/dbraw/zinc/38/61/14/556386114.db2.gz IYPZGPLGYPUIDR-UHFFFAOYSA-N 0 0 440.801 4.867 50 0 IJAARN Cc1cnc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cn1 ZINC000014197570 556389147 /nfs/dbraw/zinc/38/91/47/556389147.db2.gz JJVIWRVAAAKPEL-UHFFFAOYSA-N 0 0 431.927 4.622 50 0 IJAARN CC(=O)NCCCc1ccc(C(=O)COc2ccc3cc(Br)ccc3c2)cc1 ZINC000014199735 556390561 /nfs/dbraw/zinc/39/05/61/556390561.db2.gz HXMNXWGKHIOTQG-UHFFFAOYSA-N 0 0 440.337 4.933 50 0 IJAARN CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000014199745 556390600 /nfs/dbraw/zinc/39/06/00/556390600.db2.gz PZXIGSYVJZZSPS-OAHLLOKOSA-N 0 0 430.342 4.858 50 0 IJAARN C[C@@H](NC(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1nccs1 ZINC000012042914 556391453 /nfs/dbraw/zinc/39/14/53/556391453.db2.gz VVDBKMTYEQXVEN-IQGLISFBSA-N 0 0 433.577 4.659 50 0 IJAARN CNC(=O)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C2CC2)cc1 ZINC000032816592 556392740 /nfs/dbraw/zinc/39/27/40/556392740.db2.gz LZSJAYYZXGFBAI-LJQANCHMSA-N 0 0 428.532 4.672 50 0 IJAARN O=C(c1ccc2nccnc2c1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809513 556394426 /nfs/dbraw/zinc/39/44/26/556394426.db2.gz PYZAGTQIUJOSPN-UHFFFAOYSA-N 0 0 448.979 4.970 50 0 IJAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072726 556396057 /nfs/dbraw/zinc/39/60/57/556396057.db2.gz XGKPQOTUDWNYDG-SFHVURJKSA-N 0 0 445.629 4.592 50 0 IJAARN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4cnc(SC)nc4)CC3)c2)c1 ZINC000012076033 556397414 /nfs/dbraw/zinc/39/74/14/556397414.db2.gz ZZYYEALDKMYZNP-UHFFFAOYSA-N 0 0 448.592 4.725 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1Cl ZINC000012076780 556398006 /nfs/dbraw/zinc/39/80/06/556398006.db2.gz XREHOWRBGQVBJU-HNNXBMFYSA-N 0 0 433.936 4.731 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000014241288 556401461 /nfs/dbraw/zinc/40/14/61/556401461.db2.gz XBGHATDRSCXNPM-UHFFFAOYSA-N 0 0 425.495 4.622 50 0 IJAARN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012090897 556402360 /nfs/dbraw/zinc/40/23/60/556402360.db2.gz YRZJKIAFMWDJBD-FQEVSTJZSA-N 0 0 429.841 4.955 50 0 IJAARN O=c1c2ccccc2c(-c2ccccc2)nn1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000014251397 556408960 /nfs/dbraw/zinc/40/89/60/556408960.db2.gz SMXJGLUMLAJEDS-KRWDZBQOSA-N 0 0 441.314 4.810 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(Cc2cccs2)CC1 ZINC000014251091 556409053 /nfs/dbraw/zinc/40/90/53/556409053.db2.gz YGVSDOXDEZWVDC-UHFFFAOYSA-N 0 0 445.592 4.699 50 0 IJAARN O=c1c2ccccc2c(-c2ccccc2)nn1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000014251394 556409065 /nfs/dbraw/zinc/40/90/65/556409065.db2.gz SMXJGLUMLAJEDS-QGZVFWFLSA-N 0 0 441.314 4.810 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)no2)cc1 ZINC000032622947 556410199 /nfs/dbraw/zinc/41/01/99/556410199.db2.gz SEKKIQJJMPCHJO-QFIPXVFZSA-N 0 0 439.943 4.961 50 0 IJAARN COP(=O)(OC)[C@@H](NC(=O)/C=C/c1ccccc1)c1nnc(Nc2ccccc2)s1 ZINC000032624702 556411420 /nfs/dbraw/zinc/41/14/20/556411420.db2.gz IYQAGNYMRRKNIO-KAUXGEHWSA-N 0 0 444.453 4.596 50 0 IJAARN CC(C)Cc1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000032820274 556412240 /nfs/dbraw/zinc/41/22/40/556412240.db2.gz UNPBDSFFDRTSJH-AREMUKBSSA-N 0 0 445.588 4.952 50 0 IJAARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 ZINC000014308735 556412920 /nfs/dbraw/zinc/41/29/20/556412920.db2.gz OBNNPOMSVHCMGR-LJQANCHMSA-N 0 0 443.551 4.931 50 0 IJAARN Cn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccccc1Cl ZINC000032669992 556414195 /nfs/dbraw/zinc/41/41/95/556414195.db2.gz JJYURZUWNZLXPV-UHFFFAOYSA-N 0 0 439.953 4.650 50 0 IJAARN c1csc(-c2noc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)n2)c1 ZINC000032672050 556414808 /nfs/dbraw/zinc/41/48/08/556414808.db2.gz ZWQFNWFGYMIBPQ-UHFFFAOYSA-N 0 0 432.534 4.792 50 0 IJAARN O=C(c1ccccc1I)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012939617 556416439 /nfs/dbraw/zinc/41/64/39/556416439.db2.gz KINNEYJRSIJEOA-CYBMUJFWSA-N 0 0 448.329 4.921 50 0 IJAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC ZINC000032666135 556417336 /nfs/dbraw/zinc/41/73/36/556417336.db2.gz CBWVECKCINVHFP-XMMPIXPASA-N 0 0 432.476 4.589 50 0 IJAARN CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000032832440 556417647 /nfs/dbraw/zinc/41/76/47/556417647.db2.gz BCBVMVXNEOFBBO-UHFFFAOYSA-N 0 0 431.521 4.823 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012975851 556421252 /nfs/dbraw/zinc/42/12/52/556421252.db2.gz RGUAPHOUUJAZDR-OAHLLOKOSA-N 0 0 429.538 4.587 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1c(F)cccc1F)CC2 ZINC000012976135 556421906 /nfs/dbraw/zinc/42/19/06/556421906.db2.gz CWHPDRHIINTDJL-VWLOTQADSA-N 0 0 438.474 4.568 50 0 IJAARN COc1ccc([C@H](NC(=O)CSc2ccc3c(c2)OCCCO3)c2ccccc2)cc1 ZINC000012983928 556426025 /nfs/dbraw/zinc/42/60/25/556426025.db2.gz AFACSCWACADOJX-RUZDIDTESA-N 0 0 435.545 4.854 50 0 IJAARN CCN1CCc2nc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)sc2C1 ZINC000032841500 556427189 /nfs/dbraw/zinc/42/71/89/556427189.db2.gz HZMQQPGIIHFTOI-UHFFFAOYSA-N 0 0 448.470 4.980 50 0 IJAARN COc1ccc2c(Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)cc(=O)oc2c1 ZINC000012986910 556427271 /nfs/dbraw/zinc/42/72/71/556427271.db2.gz SQJXNNGRNBRQNK-UHFFFAOYSA-N 0 0 430.485 4.597 50 0 IJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000032845062 556429247 /nfs/dbraw/zinc/42/92/47/556429247.db2.gz ISPIQZDFVYGMML-UHFFFAOYSA-N 0 0 433.483 4.723 50 0 IJAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845953 556429708 /nfs/dbraw/zinc/42/97/08/556429708.db2.gz VTVNPNVASTXUAM-RAXRNYJGSA-N 0 0 442.559 4.971 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cc(C)ccc1C)CC2 ZINC000012995259 556430563 /nfs/dbraw/zinc/43/05/63/556430563.db2.gz OAMCPVWCUJRAGO-RUZDIDTESA-N 0 0 436.577 4.968 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccsc43)cc2)c1 ZINC000032853421 556431892 /nfs/dbraw/zinc/43/18/92/556431892.db2.gz JHSPALMEEGYWET-UHFFFAOYSA-N 0 0 425.535 4.926 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000013000895 556433184 /nfs/dbraw/zinc/43/31/84/556433184.db2.gz IFMGUKDOORPKII-UHFFFAOYSA-N 0 0 442.100 4.559 50 0 IJAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cc(C)sc2C)cs1 ZINC000032858218 556434445 /nfs/dbraw/zinc/43/44/45/556434445.db2.gz UCEFZJUENQHHLH-LJQANCHMSA-N 0 0 438.578 4.656 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227907 556436764 /nfs/dbraw/zinc/43/67/64/556436764.db2.gz WQENOHZIGSADHH-SFHVURJKSA-N 0 0 447.539 4.653 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000013014673 556436981 /nfs/dbraw/zinc/43/69/81/556436981.db2.gz CYIQXZVUHPFPAB-UHFFFAOYSA-N 0 0 447.944 4.638 50 0 IJAARN COc1ccccc1NCc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000028047334 556442428 /nfs/dbraw/zinc/44/24/28/556442428.db2.gz ADFLRYFZWQWABW-UHFFFAOYSA-N 0 0 445.548 4.619 50 0 IJAARN Cc1cccc(NCc2nnc(SCC(=O)NC3CCCC3)n2-c2cccc(C)c2C)c1 ZINC000028047285 556442486 /nfs/dbraw/zinc/44/24/86/556442486.db2.gz XGTFCPLOHHWCBJ-UHFFFAOYSA-N 0 0 449.624 4.956 50 0 IJAARN O=C(CSCc1ccc(F)cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000014801546 556446622 /nfs/dbraw/zinc/44/66/22/556446622.db2.gz NZSZDMIJRKRQAA-UHFFFAOYSA-N 0 0 447.535 4.524 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013042422 556448498 /nfs/dbraw/zinc/44/84/98/556448498.db2.gz WUZAKJGEMMVGCU-UHFFFAOYSA-N 0 0 444.940 4.911 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 ZINC000028289171 556449144 /nfs/dbraw/zinc/44/91/44/556449144.db2.gz JLIJNZVQLMCIQS-OAQYLSRUSA-N 0 0 438.955 4.966 50 0 IJAARN COc1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000072273349 556451480 /nfs/dbraw/zinc/45/14/80/556451480.db2.gz VJYHQDDNQHXKNN-RUZDIDTESA-N 0 0 442.559 4.776 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000013071477 556453427 /nfs/dbraw/zinc/45/34/27/556453427.db2.gz AXLVBEFAAXZYRE-NRFANRHFSA-N 0 0 446.638 4.636 50 0 IJAARN CCn1c(=S)n(CN2CCc3cc(OC)c(OC)cc3C2)nc1-c1ccc(Cl)cc1 ZINC000013071208 556453479 /nfs/dbraw/zinc/45/34/79/556453479.db2.gz SLCZBBUIETXUIC-UHFFFAOYSA-N 0 0 444.988 4.787 50 0 IJAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4ccc5ccncc5c4)c23)C1 ZINC000013071142 556453506 /nfs/dbraw/zinc/45/35/06/556453506.db2.gz IEMDYBLZNGXMQC-INIZCTEOSA-N 0 0 446.576 4.989 50 0 IJAARN COc1ccc2nc(C(=O)Nc3nc(-c4ccc([C@H](C)NC(C)=O)cc4)cs3)ccc2c1 ZINC000028685466 556459132 /nfs/dbraw/zinc/45/91/32/556459132.db2.gz HPSXDTRRJSPTRM-AWEZNQCLSA-N 0 0 446.532 4.816 50 0 IJAARN COc1ccc2nc(C(=O)Nc3nc(-c4ccc([C@@H](C)NC(C)=O)cc4)cs3)ccc2c1 ZINC000028685463 556459223 /nfs/dbraw/zinc/45/92/23/556459223.db2.gz HPSXDTRRJSPTRM-CQSZACIVSA-N 0 0 446.532 4.816 50 0 IJAARN O=C(CC1=CSC2=NCCN12)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000014949775 556460164 /nfs/dbraw/zinc/46/01/64/556460164.db2.gz BQPDUKADIWETBP-IBGZPJMESA-N 0 0 447.560 4.550 50 0 IJAARN O=C(CCSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1-c1ccccc1 ZINC000032871271 556460807 /nfs/dbraw/zinc/46/08/07/556460807.db2.gz MTNJDDAGPVZBMJ-QGZVFWFLSA-N 0 0 440.594 4.917 50 0 IJAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N(Cc1ccccc1)CC1CC1 ZINC000014957057 556462630 /nfs/dbraw/zinc/46/26/30/556462630.db2.gz FPFDBHQNZZXECG-UHFFFAOYSA-N 0 0 432.564 4.519 50 0 IJAARN CCOc1ccc(CN(C(=O)C2CCN(C(C)=O)CC2)c2ccc(OC)c(Cl)c2)cc1 ZINC000013109849 556463606 /nfs/dbraw/zinc/46/36/06/556463606.db2.gz AMMQJIGSBHRKOB-UHFFFAOYSA-N 0 0 444.959 4.539 50 0 IJAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000014964349 556464856 /nfs/dbraw/zinc/46/48/56/556464856.db2.gz ZVDJPFJKRVZLGB-NRFANRHFSA-N 0 0 443.503 4.623 50 0 IJAARN NC(=O)N[C@@H](CC(=O)Nc1cccc2ncccc21)c1cccc(Oc2ccccc2)c1 ZINC000013112642 556465179 /nfs/dbraw/zinc/46/51/79/556465179.db2.gz PUSZVWRXPQYPMT-QHCPKHFHSA-N 0 0 426.476 4.765 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3nnc(C4CCCCC4)s3)CCCC2)c1 ZINC000029056385 556466335 /nfs/dbraw/zinc/46/63/35/556466335.db2.gz DZEJOJIHJQUTTO-UHFFFAOYSA-N 0 0 447.626 4.928 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)n2)cc1 ZINC000013114258 556466505 /nfs/dbraw/zinc/46/65/05/556466505.db2.gz ROBLWHRJXVOZMW-UHFFFAOYSA-N 0 0 442.523 4.601 50 0 IJAARN CO[C@@H](C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1)c1ccccc1 ZINC000014973390 556467723 /nfs/dbraw/zinc/46/77/23/556467723.db2.gz ULPYOBNDGLAKMJ-WZONZLPQSA-N 0 0 439.508 4.564 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)N1CCc2ccccc21 ZINC000013116222 556468454 /nfs/dbraw/zinc/46/84/54/556468454.db2.gz UBCKUWSZNMXCEY-KBPBESRZSA-N 0 0 425.579 4.993 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000013116923 556468845 /nfs/dbraw/zinc/46/88/45/556468845.db2.gz SGIDDHUNQQKXBL-UHFFFAOYSA-N 0 0 428.532 4.799 50 0 IJAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000013116263 556468944 /nfs/dbraw/zinc/46/89/44/556468944.db2.gz RDQKUOCKNPSTEA-RUZDIDTESA-N 0 0 447.922 4.803 50 0 IJAARN CCc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000013117309 556469783 /nfs/dbraw/zinc/46/97/83/556469783.db2.gz ZQJJPOARLHROBW-DEOSSOPVSA-N 0 0 433.577 4.520 50 0 IJAARN Cc1cnc(SCc2cccnc2)nc1[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000014981838 556471289 /nfs/dbraw/zinc/47/12/89/556471289.db2.gz UYTUWPVERLWOKX-IBGZPJMESA-N 0 0 438.622 4.873 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(CN(C)Cc4ccon4)cc3)C2)s1 ZINC000014982097 556471360 /nfs/dbraw/zinc/47/13/60/556471360.db2.gz RMJKILMWERTXCU-HXUWFJFHSA-N 0 0 439.581 4.608 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)n2C)cc1 ZINC000013120738 556472640 /nfs/dbraw/zinc/47/26/40/556472640.db2.gz DGBMMXAQVUAZKD-HNNXBMFYSA-N 0 0 437.594 4.712 50 0 IJAARN O=c1c2c3c(sc2nc(S[C@H]2CCCCCC2=O)n1C[C@@H]1CCCO1)CCCC3 ZINC000029389246 556474095 /nfs/dbraw/zinc/47/40/95/556474095.db2.gz LAAKIZGLDITJQY-KSSFIOAISA-N 0 0 432.611 4.510 50 0 IJAARN Cc1c2ccccc2oc1-c1csc(-c2cccc(NC(=O)CN3CCOCC3)c2)n1 ZINC000013121335 556474176 /nfs/dbraw/zinc/47/41/76/556474176.db2.gz HNTYTEDOYMRKTD-UHFFFAOYSA-N 0 0 433.533 4.802 50 0 IJAARN O=c1c2c3c(sc2nc(S[C@@H]2CCCCCC2=O)n1C[C@@H]1CCCO1)CCCC3 ZINC000029389249 556474332 /nfs/dbraw/zinc/47/43/32/556474332.db2.gz LAAKIZGLDITJQY-KBXCAEBGSA-N 0 0 432.611 4.510 50 0 IJAARN O=C(CN1CCC([C@H](O)c2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029477602 556476190 /nfs/dbraw/zinc/47/61/90/556476190.db2.gz CDHPQRIQXGFXPB-RUZDIDTESA-N 0 0 438.955 4.662 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccsc2)n1C[C@H]1CCCO1 ZINC000014993662 556476505 /nfs/dbraw/zinc/47/65/05/556476505.db2.gz QUNCMSTUJFWXIR-HXUWFJFHSA-N 0 0 428.627 4.751 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3F)[C@@H]2c2ccccc2)cc1 ZINC000013128211 556477555 /nfs/dbraw/zinc/47/75/55/556477555.db2.gz ANWIAVXAQPMCTN-DHLKQENFSA-N 0 0 432.495 4.635 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CCOc3cccc(Br)c3)n2)cc1 ZINC000013129239 556478860 /nfs/dbraw/zinc/47/88/60/556478860.db2.gz DYEYVPLCYNKHRC-UHFFFAOYSA-N 0 0 433.327 4.989 50 0 IJAARN COc1cccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCCCO4)n3)s2)c1OC ZINC000015001782 556480108 /nfs/dbraw/zinc/48/01/08/556480108.db2.gz VNICHIOYORMZMA-QGZVFWFLSA-N 0 0 428.558 4.513 50 0 IJAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(I)c1O ZINC000015016342 556485435 /nfs/dbraw/zinc/48/54/35/556485435.db2.gz XQRATLVBIHWQAX-SOFGYWHQSA-N 0 0 433.245 4.820 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 ZINC000013141443 556486627 /nfs/dbraw/zinc/48/66/27/556486627.db2.gz MMWFXTYPSDMXTL-UHFFFAOYSA-N 0 0 429.929 4.829 50 0 IJAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1nccs1 ZINC000015018899 556487180 /nfs/dbraw/zinc/48/71/80/556487180.db2.gz YAHPATZGKCMIKB-UHFFFAOYSA-N 0 0 433.518 4.868 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1C(C)(C)C ZINC000013146190 556488053 /nfs/dbraw/zinc/48/80/53/556488053.db2.gz CGHPBBGQGKZTFB-UHFFFAOYSA-N 0 0 439.943 4.986 50 0 IJAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000030005722 556488911 /nfs/dbraw/zinc/48/89/11/556488911.db2.gz JGGBCVUNYOKBQR-VBKZILBWSA-N 0 0 445.441 4.732 50 0 IJAARN CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000030013218 556489249 /nfs/dbraw/zinc/48/92/49/556489249.db2.gz FOOHBVPYKSKNNX-UHFFFAOYSA-N 0 0 448.592 4.658 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(Cc1ccccc1)n2-c1ccccc1OC ZINC000013149217 556490979 /nfs/dbraw/zinc/49/09/79/556490979.db2.gz BHVBHZDUGIVWHU-UHFFFAOYSA-N 0 0 449.576 4.655 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(Cl)c1OC(C)C ZINC000030176365 556491377 /nfs/dbraw/zinc/49/13/77/556491377.db2.gz HHLNFBSHSWARQR-SFHVURJKSA-N 0 0 432.904 4.506 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000013163596 556493972 /nfs/dbraw/zinc/49/39/72/556493972.db2.gz GGJTVVJVDWDDCW-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN CCn1c(SCc2nc(-c3ccccc3OC)no2)nnc1-c1ccc(Cl)cc1 ZINC000011063951 556494043 /nfs/dbraw/zinc/49/40/43/556494043.db2.gz LPTBLTRPTPFIAY-UHFFFAOYSA-N 0 0 427.917 4.969 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004556178 556506610 /nfs/dbraw/zinc/50/66/10/556506610.db2.gz GOKQFTCWWZYZHN-TXZACGBQSA-N 0 0 429.560 4.905 50 0 IJAARN Cc1c(C[NH2+]CCN(C)Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000022937798 556506906 /nfs/dbraw/zinc/50/69/06/556506906.db2.gz VTCHPIPPQOBHBO-UHFFFAOYSA-N 0 0 439.987 4.726 50 0 IJAARN C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000015197386 556510496 /nfs/dbraw/zinc/51/04/96/556510496.db2.gz UMIZFEPSNVJBDR-INIZCTEOSA-N 0 0 448.519 4.935 50 0 IJAARN O=C(Nc1ccc(OCc2nnnn2-c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000013534879 556513306 /nfs/dbraw/zinc/51/33/06/556513306.db2.gz NDIHHYZYUVPLAV-UHFFFAOYSA-N 0 0 439.397 4.512 50 0 IJAARN CCc1ccccc1NC(=O)C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000030902141 556515070 /nfs/dbraw/zinc/51/50/70/556515070.db2.gz YMQLVYCVZLUATF-XMMPIXPASA-N 0 0 438.531 4.758 50 0 IJAARN Cc1nc(CSc2ccc(C(=O)N3CCN(Cc4cccs4)CC3)cc2)cs1 ZINC000032898827 556516812 /nfs/dbraw/zinc/51/68/12/556516812.db2.gz SOPOQBNFCRBBKR-UHFFFAOYSA-N 0 0 429.636 4.763 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1)c1ccco1 ZINC000032898786 556516918 /nfs/dbraw/zinc/51/69/18/556516918.db2.gz QRLRUKKVBBDBPT-MRXNPFEDSA-N 0 0 438.505 4.732 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000072296583 556522190 /nfs/dbraw/zinc/52/21/90/556522190.db2.gz IFYFTVLCINHTJA-HSZRJFAPSA-N 0 0 431.467 4.646 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c3ccccc3)o2)cc1 ZINC000072297676 556522793 /nfs/dbraw/zinc/52/27/93/556522793.db2.gz QHCKCIQRVBUXDK-NRFANRHFSA-N 0 0 449.551 4.965 50 0 IJAARN O=C(NCc1cccnc1)/C(=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000015379112 556523663 /nfs/dbraw/zinc/52/36/63/556523663.db2.gz UIQQDRYMPZMBEI-NDENLUEZSA-N 0 0 447.343 4.520 50 0 IJAARN Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCCCO)c(=O)oc12 ZINC000013573875 556524364 /nfs/dbraw/zinc/52/43/64/556524364.db2.gz UZPXZCLWCDPICQ-UHFFFAOYSA-N 0 0 439.895 4.518 50 0 IJAARN COc1ccc(N2CC(=O)N(c3ccccc3)[C@H](/C(C)=C/c3ccccc3)C2=O)c(OC)c1 ZINC000015412659 556525452 /nfs/dbraw/zinc/52/54/52/556525452.db2.gz JQJNQGHBFCGMMT-IWCMWKPHSA-N 0 0 442.515 4.556 50 0 IJAARN COc1ccc(NC(=O)[C@]2(c3cccs3)CC(=O)N2c2ccc(C)c(C)c2)c(OC)c1 ZINC000015413006 556525701 /nfs/dbraw/zinc/52/57/01/556525701.db2.gz DWNMTEMRESOQMG-XMMPIXPASA-N 0 0 436.533 4.653 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000013577156 556526845 /nfs/dbraw/zinc/52/68/45/556526845.db2.gz JLKISVAFSCNBQH-LBPRGKRZSA-N 0 0 442.865 4.934 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccc(COC)o2)CC1 ZINC000013595662 556531712 /nfs/dbraw/zinc/53/17/12/556531712.db2.gz HMDZNMMRZHHLQY-UHFFFAOYSA-N 0 0 439.474 4.833 50 0 IJAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032901024 556535389 /nfs/dbraw/zinc/53/53/89/556535389.db2.gz GGZULWWAXZNRCN-RDPSFJRHSA-N 0 0 428.488 4.784 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)N1CCc2ccccc2C1 ZINC000013625385 556537105 /nfs/dbraw/zinc/53/71/05/556537105.db2.gz KQHMTXHMECGESC-AZUAARDMSA-N 0 0 426.442 4.742 50 0 IJAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000032579314 556541256 /nfs/dbraw/zinc/54/12/56/556541256.db2.gz KKYOLEAUIDEIBY-HXUWFJFHSA-N 0 0 440.544 4.539 50 0 IJAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(F)cc2)cc1C ZINC000097898293 556541985 /nfs/dbraw/zinc/54/19/85/556541985.db2.gz WOURRCXQSCANTD-GNVQSUKOSA-N 0 0 431.467 4.869 50 0 IJAARN O[C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000013642913 556542939 /nfs/dbraw/zinc/54/29/39/556542939.db2.gz LYDAENUMVOYUOD-KRWDZBQOSA-N 0 0 442.319 4.621 50 0 IJAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)NC(=S)N1c1ccccc1 ZINC000015686073 556543332 /nfs/dbraw/zinc/54/33/32/556543332.db2.gz BYGFOIIQHVUPMM-PXLXIMEGSA-N 0 0 440.503 4.941 50 0 IJAARN CC[C@]1(C)CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)C1 ZINC000072304371 556548461 /nfs/dbraw/zinc/54/84/61/556548461.db2.gz HKBGKNRWSIXNFC-HSZRJFAPSA-N 0 0 425.529 4.840 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997192 556551120 /nfs/dbraw/zinc/55/11/20/556551120.db2.gz WAHLQYNOXLASIZ-HXUWFJFHSA-N 0 0 428.464 4.763 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000015827741 556554160 /nfs/dbraw/zinc/55/41/60/556554160.db2.gz QOEMWMQXERHBKV-IBGZPJMESA-N 0 0 446.341 4.793 50 0 IJAARN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)nn2)cc1 ZINC000033257978 556557314 /nfs/dbraw/zinc/55/73/14/556557314.db2.gz LOFITGFVBWOATF-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)c(OC)c1 ZINC000033258027 556557340 /nfs/dbraw/zinc/55/73/40/556557340.db2.gz NLEIUIAKSPPMJX-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000015882532 556561206 /nfs/dbraw/zinc/56/12/06/556561206.db2.gz RTPMKJNEKFTBCK-UHFFFAOYSA-N 0 0 433.921 4.643 50 0 IJAARN O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-n1cccc1)Nc1cccc(F)c1 ZINC000015882539 556561256 /nfs/dbraw/zinc/56/12/56/556561256.db2.gz ZDEKQZQMWCEUPU-UHFFFAOYSA-N 0 0 441.919 4.505 50 0 IJAARN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1csc(-c2cc(Br)cs2)n1 ZINC000072307219 556561725 /nfs/dbraw/zinc/56/17/25/556561725.db2.gz FQUZQZFXSVWAND-OCCSQVGLSA-N 0 0 437.388 4.744 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)cc1 ZINC000015922065 556564228 /nfs/dbraw/zinc/56/42/28/556564228.db2.gz BEYHYVLAPLVQKC-FQEVSTJZSA-N 0 0 432.568 4.511 50 0 IJAARN CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)Cc1cccc(O)c1 ZINC000072308184 556564571 /nfs/dbraw/zinc/56/45/71/556564571.db2.gz JGQGZTHGYCSAAX-NRFANRHFSA-N 0 0 429.476 4.541 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1OC ZINC000032961068 556571878 /nfs/dbraw/zinc/57/18/78/556571878.db2.gz HKXJCGGDYSEYDL-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000016000336 556572396 /nfs/dbraw/zinc/57/23/96/556572396.db2.gz HWSMEWGFBWLJPZ-UHFFFAOYSA-N 0 0 434.517 4.814 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)n1 ZINC000032909223 556572851 /nfs/dbraw/zinc/57/28/51/556572851.db2.gz IYAINTQBZFXAGQ-UHFFFAOYSA-N 0 0 436.320 4.750 50 0 IJAARN Cc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)no1 ZINC000002261983 556574823 /nfs/dbraw/zinc/57/48/23/556574823.db2.gz RKURDFRODCNZDK-OCCSQVGLSA-N 0 0 425.798 4.746 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1Br ZINC000016027537 556576514 /nfs/dbraw/zinc/57/65/14/556576514.db2.gz AKJAUMJOQDRWGG-UHFFFAOYSA-N 0 0 437.293 4.617 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3nnc(-c4ccccc4)o3)cc12 ZINC000072309940 556577599 /nfs/dbraw/zinc/57/75/99/556577599.db2.gz GFVFJASQOCYGLG-UHFFFAOYSA-N 0 0 447.495 4.557 50 0 IJAARN O=C(NCCc1ccccn1)c1csc(-c2ccccc2OCc2ccccc2F)n1 ZINC000034713699 556581478 /nfs/dbraw/zinc/58/14/78/556581478.db2.gz VRAOZODJAIZIJV-UHFFFAOYSA-N 0 0 433.508 4.896 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Cc2ccccc2)cc1OCC ZINC000032966702 556587240 /nfs/dbraw/zinc/58/72/40/556587240.db2.gz RDXNXGJYBKLWMI-UHFFFAOYSA-N 0 0 446.547 4.786 50 0 IJAARN CN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000016189139 556588523 /nfs/dbraw/zinc/58/85/23/556588523.db2.gz QWWRPAUAKQKSBS-UHFFFAOYSA-N 0 0 435.955 4.923 50 0 IJAARN O=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000032971536 556589367 /nfs/dbraw/zinc/58/93/67/556589367.db2.gz GTYHTDMNDJOYDO-UHFFFAOYSA-N 0 0 447.482 4.839 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036083573 556592872 /nfs/dbraw/zinc/59/28/72/556592872.db2.gz PPSKNVNNNICYMH-JOCHJYFZSA-N 0 0 442.943 4.939 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Cl)cc1 ZINC000016263144 556595150 /nfs/dbraw/zinc/59/51/50/556595150.db2.gz BBNUNEDMAMSWAC-SFHVURJKSA-N 0 0 428.970 4.707 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000016265399 556595312 /nfs/dbraw/zinc/59/53/12/556595312.db2.gz MJKBCUQVEMGASO-UHFFFAOYSA-N 0 0 436.552 4.652 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c(C)c1 ZINC000016267219 556595610 /nfs/dbraw/zinc/59/56/10/556595610.db2.gz GMZCNXKOEIPRFH-UHFFFAOYSA-N 0 0 449.787 4.977 50 0 IJAARN CCOC(=O)C1CCN(c2ncnc3c2c(C)c(C)n3-c2cc(Cl)ccc2C)CC1 ZINC000032975750 556600449 /nfs/dbraw/zinc/60/04/49/556600449.db2.gz WGGXYQCIAXMQEW-UHFFFAOYSA-N 0 0 426.948 4.779 50 0 IJAARN CCOc1cc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000016347313 556601631 /nfs/dbraw/zinc/60/16/31/556601631.db2.gz IICDIFOOUDVVBA-UHFFFAOYSA-N 0 0 432.589 4.874 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000032995368 556610740 /nfs/dbraw/zinc/61/07/40/556610740.db2.gz BAANACSUTCFPEH-GOSISDBHSA-N 0 0 436.581 4.559 50 0 IJAARN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cc2ccccc2o1 ZINC000016524008 556613807 /nfs/dbraw/zinc/61/38/07/556613807.db2.gz PJPXEYJLOOSDJD-UHFFFAOYSA-N 0 0 447.907 4.947 50 0 IJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccc(Cl)c4)no3)C2=O)cc1 ZINC000016619219 556618360 /nfs/dbraw/zinc/61/83/60/556618360.db2.gz PVXOQERHFVFOHZ-HSZRJFAPSA-N 0 0 438.915 4.655 50 0 IJAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000033675271 556620766 /nfs/dbraw/zinc/62/07/66/556620766.db2.gz AYESYFNOHQSRKA-UHFFFAOYSA-N 0 0 426.992 4.567 50 0 IJAARN C[C@@H]1CCCC[C@@H]1N1CC(=O)N(Cc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000033686449 556621248 /nfs/dbraw/zinc/62/12/48/556621248.db2.gz IFAMPEKMURVOMQ-XORNHQRDSA-N 0 0 428.935 4.970 50 0 IJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(I)cc2)c[nH]1 ZINC000166269304 556626387 /nfs/dbraw/zinc/62/63/87/556626387.db2.gz FKNRJMZSQAHBBC-HNNXBMFYSA-N 0 0 439.297 4.753 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998810 556626415 /nfs/dbraw/zinc/62/64/15/556626415.db2.gz JEARAUQCZLWSNG-UHFFFAOYSA-N 0 0 435.455 4.914 50 0 IJAARN CCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)cc2)no1 ZINC000032999097 556627316 /nfs/dbraw/zinc/62/73/16/556627316.db2.gz MQLUZHUHLRJAPU-UHFFFAOYSA-N 0 0 445.445 4.672 50 0 IJAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033730167 556627996 /nfs/dbraw/zinc/62/79/96/556627996.db2.gz JWIXTMBSHCRQSJ-XKZIYDEJSA-N 0 0 448.931 4.698 50 0 IJAARN CC(C)c1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)s1 ZINC000039745563 556629827 /nfs/dbraw/zinc/62/98/27/556629827.db2.gz NFEMWRMTASVICJ-UHFFFAOYSA-N 0 0 442.570 4.978 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)cc1Br ZINC000033763401 556631579 /nfs/dbraw/zinc/63/15/79/556631579.db2.gz RWXCGTUWCQBYBW-YLQAJVPDSA-N 0 0 442.419 4.642 50 0 IJAARN CCCCOc1ccc(C(=O)N(c2ccc(C(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000005081751 556631863 /nfs/dbraw/zinc/63/18/63/556631863.db2.gz IDLUCZLAOAOQDF-QFIPXVFZSA-N 0 0 427.566 4.946 50 0 IJAARN COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O ZINC000016741443 556635103 /nfs/dbraw/zinc/63/51/03/556635103.db2.gz IFGDMBAAKZVNEC-HSZRJFAPSA-N 0 0 442.471 4.577 50 0 IJAARN CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 ZINC000016749817 556636841 /nfs/dbraw/zinc/63/68/41/556636841.db2.gz AAUMVUCJLVNIOE-QHCPKHFHSA-N 0 0 435.520 4.944 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1OCC ZINC000016753432 556638427 /nfs/dbraw/zinc/63/84/27/556638427.db2.gz HMMGGAVJFCHYRG-UHFFFAOYSA-N 0 0 425.416 4.980 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2F)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037574908 556643275 /nfs/dbraw/zinc/64/32/75/556643275.db2.gz PGJZNPVYDORRIX-LJQANCHMSA-N 0 0 435.417 4.985 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NCC1CC1 ZINC000037601887 556646432 /nfs/dbraw/zinc/64/64/32/556646432.db2.gz DIZYAPPSHVMBFZ-LOSJGSFVSA-N 0 0 434.580 4.500 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 ZINC000016844941 556646548 /nfs/dbraw/zinc/64/65/48/556646548.db2.gz UENBZKKBIVVFAL-UHFFFAOYSA-N 0 0 435.574 4.955 50 0 IJAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cc(Br)ccc3Cl)cc12 ZINC000011726465 556646952 /nfs/dbraw/zinc/64/69/52/556646952.db2.gz BHBVEVSNKKOUMG-UHFFFAOYSA-N 0 0 433.733 4.533 50 0 IJAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)c1 ZINC000016846559 556647490 /nfs/dbraw/zinc/64/74/90/556647490.db2.gz PGCICMSVVTXFRV-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CS(=O)(=O)C3)cc1 ZINC000011726323 556648787 /nfs/dbraw/zinc/64/87/87/556648787.db2.gz IGPWREZOFBZZBA-UHFFFAOYSA-N 0 0 443.528 4.528 50 0 IJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011752602 556651085 /nfs/dbraw/zinc/65/10/85/556651085.db2.gz STVFHEZMJGSAKH-UHFFFAOYSA-N 0 0 443.431 4.572 50 0 IJAARN CCOc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1OC ZINC000038654256 556653929 /nfs/dbraw/zinc/65/39/29/556653929.db2.gz UQDMDGFGDARGLA-UHFFFAOYSA-N 0 0 436.493 4.599 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000033007814 556656742 /nfs/dbraw/zinc/65/67/42/556656742.db2.gz UDPWUKARDDEYFG-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)Nc3ccc(F)cc3)c2)c1 ZINC000033009650 556657625 /nfs/dbraw/zinc/65/76/25/556657625.db2.gz DHEGCRQYRMLZHH-UHFFFAOYSA-N 0 0 448.498 4.867 50 0 IJAARN COc1cccc(C[C@H](C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000011838900 556659948 /nfs/dbraw/zinc/65/99/48/556659948.db2.gz VQIKSHWPPLHZEP-ILBGXUMGSA-N 0 0 440.628 4.706 50 0 IJAARN O=C(c1cccs1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F ZINC000011847518 556660559 /nfs/dbraw/zinc/66/05/59/556660559.db2.gz SJGPLJJQHRGSBN-UHFFFAOYSA-N 0 0 440.471 4.750 50 0 IJAARN CCn1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)NCc2ccccc2)n1 ZINC000017097045 556661011 /nfs/dbraw/zinc/66/10/11/556661011.db2.gz XWYOOEADDAGEFL-UHFFFAOYSA-N 0 0 430.533 4.814 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000033012374 556661092 /nfs/dbraw/zinc/66/10/92/556661092.db2.gz IMEJIOZTGQEXRM-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000017097278 556661404 /nfs/dbraw/zinc/66/14/04/556661404.db2.gz IOAVAHFBBTYZPN-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN COc1cc(C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc(OC)c1OC ZINC000033012715 556661767 /nfs/dbraw/zinc/66/17/67/556661767.db2.gz ZAIRCJAVOCBNLV-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN CC(C)(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000011855216 556661997 /nfs/dbraw/zinc/66/19/97/556661997.db2.gz DDNVRXATUYMOMY-UHFFFAOYSA-N 0 0 433.537 4.726 50 0 IJAARN CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)n1 ZINC000011855638 556662113 /nfs/dbraw/zinc/66/21/13/556662113.db2.gz SHMSSRJPRPUURY-UHFFFAOYSA-N 0 0 447.564 4.769 50 0 IJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000033012980 556662385 /nfs/dbraw/zinc/66/23/85/556662385.db2.gz XTTGCOAPGXNKAS-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)N(C)c1ccccc1 ZINC000033013252 556662593 /nfs/dbraw/zinc/66/25/93/556662593.db2.gz ATUFMFONLRTBAU-UHFFFAOYSA-N 0 0 429.476 4.844 50 0 IJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000017098994 556664030 /nfs/dbraw/zinc/66/40/30/556664030.db2.gz JWDCJYRNVMKNOL-RMKNXTFCSA-N 0 0 434.543 4.768 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013426 556664031 /nfs/dbraw/zinc/66/40/31/556664031.db2.gz OIPBMPWWUGZVHF-UHFFFAOYSA-N 0 0 449.960 4.517 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013493 556664059 /nfs/dbraw/zinc/66/40/59/556664059.db2.gz DALQOOPHPPBZLJ-UHFFFAOYSA-N 0 0 427.526 4.618 50 0 IJAARN CC(C)(C)n1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000017201528 556673117 /nfs/dbraw/zinc/67/31/17/556673117.db2.gz OCUCKWVMWFHAPH-GYHWCHFESA-N 0 0 441.622 4.989 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914010 556673224 /nfs/dbraw/zinc/67/32/24/556673224.db2.gz VOUMNOKENWEYPP-IBGZPJMESA-N 0 0 447.915 4.569 50 0 IJAARN O[C@H](COCc1ccccc1)Cn1c(Cc2nc3ccccc3s2)nc2ccccc21 ZINC000032932974 556676068 /nfs/dbraw/zinc/67/60/68/556676068.db2.gz REHIOYPWHZUMTM-IBGZPJMESA-N 0 0 429.545 4.815 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)c12 ZINC000032931865 556676985 /nfs/dbraw/zinc/67/69/85/556676985.db2.gz PMHBMQTZTKGMGU-JOCHJYFZSA-N 0 0 426.476 4.518 50 0 IJAARN COc1ccc([C@H](CSc2nnc(-c3ccccn3)n2-c2ccccc2)OC(C)=O)cc1 ZINC000032934940 556677675 /nfs/dbraw/zinc/67/76/75/556677675.db2.gz KFHFGBAULKPCTJ-QFIPXVFZSA-N 0 0 446.532 4.734 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000018043818 556682295 /nfs/dbraw/zinc/68/22/95/556682295.db2.gz NBLDYFFBWDNROB-IYBDPMFKSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1C ZINC000018243954 556687946 /nfs/dbraw/zinc/68/79/46/556687946.db2.gz LMEHFKMJWYTNJD-KDURUIRLSA-N 0 0 425.912 4.898 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000018276214 556689062 /nfs/dbraw/zinc/68/90/62/556689062.db2.gz BJVMWQAHUGXTID-UHFFFAOYSA-N 0 0 439.846 4.840 50 0 IJAARN CCCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000032937415 556689925 /nfs/dbraw/zinc/68/99/25/556689925.db2.gz LUEBBVHWTPJXOR-KRWDZBQOSA-N 0 0 435.524 4.628 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3F)n2-c2ccccc2)cc1 ZINC000033025678 556701090 /nfs/dbraw/zinc/70/10/90/556701090.db2.gz PLNWAKLMYZDPNC-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000033025963 556702059 /nfs/dbraw/zinc/70/20/59/556702059.db2.gz FWRAVFHIQGGMJX-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccc(C)c(F)c2)n3C)c1 ZINC000033026109 556702262 /nfs/dbraw/zinc/70/22/62/556702262.db2.gz CZBKCXIBZZTYGM-UHFFFAOYSA-N 0 0 444.510 4.554 50 0 IJAARN O=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c2c(-c3ccccc3Cl)csc21 ZINC000048986620 556702849 /nfs/dbraw/zinc/70/28/49/556702849.db2.gz MRIPODMHWNXHMH-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696245 556712275 /nfs/dbraw/zinc/71/22/75/556712275.db2.gz IPMHOCSMLIVGBP-UHFFFAOYSA-N 0 0 426.563 4.875 50 0 IJAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)OC(C)(C)C ZINC000052507654 556717969 /nfs/dbraw/zinc/71/79/69/556717969.db2.gz RXDLNDKTYFWUDM-JOCHJYFZSA-N 0 0 438.524 4.746 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000138933999 556720816 /nfs/dbraw/zinc/72/08/16/556720816.db2.gz DGYIORVYEFFGSJ-PCCBWWKXSA-N 0 0 438.405 4.757 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)cc1 ZINC000033037484 556722957 /nfs/dbraw/zinc/72/29/57/556722957.db2.gz IVYIMLATCQHJTQ-UHFFFAOYSA-N 0 0 440.547 4.799 50 0 IJAARN CCCc1cc(-c2nc(C)c(-c3nn4c(nnc4C(F)(F)Cl)s3)s2)ccn1 ZINC000061718517 556724978 /nfs/dbraw/zinc/72/49/78/556724978.db2.gz ZORVQOBVRWQGCR-UHFFFAOYSA-N 0 0 426.905 4.920 50 0 IJAARN O=C(NCc1ccc(Br)cc1)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329062 556726697 /nfs/dbraw/zinc/72/66/97/556726697.db2.gz ZMBQOHAKQFWOEY-UHFFFAOYSA-N 0 0 435.119 4.532 50 0 IJAARN COc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000033040312 556731959 /nfs/dbraw/zinc/73/19/59/556731959.db2.gz YZXFLQWPLDZGTG-UHFFFAOYSA-N 0 0 431.901 4.793 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)[C@@H](C)c2ccncn2)cc1F ZINC000055060818 556732959 /nfs/dbraw/zinc/73/29/59/556732959.db2.gz WUBXYPQMPCAXGY-SFHVURJKSA-N 0 0 431.515 4.978 50 0 IJAARN CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1 ZINC000019311678 556735369 /nfs/dbraw/zinc/73/53/69/556735369.db2.gz BLNJXXXZJLWQOZ-QHCPKHFHSA-N 0 0 434.646 4.609 50 0 IJAARN CCOC(=O)c1oc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)nc1C ZINC000078815490 556736666 /nfs/dbraw/zinc/73/66/66/556736666.db2.gz FTMDBXSAPBNCNP-UHFFFAOYSA-N 0 0 440.843 4.511 50 0 IJAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055252943 556739028 /nfs/dbraw/zinc/73/90/28/556739028.db2.gz PJNUYSBJNMQOPN-FQEVSTJZSA-N 0 0 443.469 4.950 50 0 IJAARN COc1ccc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)c(OC)c1C ZINC000055447645 556741594 /nfs/dbraw/zinc/74/15/94/556741594.db2.gz KJJJGGKJFOHOCE-XMMPIXPASA-N 0 0 443.551 4.518 50 0 IJAARN Cc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C ZINC000033048968 556746167 /nfs/dbraw/zinc/74/61/67/556746167.db2.gz VOWIMKIBFXTBPQ-UHFFFAOYSA-N 0 0 431.923 4.650 50 0 IJAARN COC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000014186243 556749663 /nfs/dbraw/zinc/74/96/63/556749663.db2.gz FKFXMCGLZNAHIA-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN O=C1[C@H](Cc2ccccc2)N(CN2CCCc3ccccc32)C(=S)N1c1ccccc1 ZINC000072332319 556750634 /nfs/dbraw/zinc/75/06/34/556750634.db2.gz VNXOCPXUDJMKLO-DEOSSOPVSA-N 0 0 427.573 4.642 50 0 IJAARN C[C@@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000058018663 556754131 /nfs/dbraw/zinc/75/41/31/556754131.db2.gz AZQALPRADLJQID-ZDUSSCGKSA-N 0 0 437.443 4.578 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(c3ccccc3)CC1)oc1ccccc12 ZINC000058137881 556760841 /nfs/dbraw/zinc/76/08/41/556760841.db2.gz XNCRQGWCOVAVIF-GOSISDBHSA-N 0 0 429.520 4.744 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)NCC(C)(C)SCc2ccc(F)cc2)cc1 ZINC000005309474 556762817 /nfs/dbraw/zinc/76/28/17/556762817.db2.gz DHENMKUTWLPZEP-UHFFFAOYSA-N 0 0 425.591 4.995 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CN2CCCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000058160429 556764466 /nfs/dbraw/zinc/76/44/66/556764466.db2.gz IGLSYTCQCVDJJO-GOSISDBHSA-N 0 0 431.569 4.843 50 0 IJAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NC1CCCCCC1)COC2=O ZINC000062001722 556764625 /nfs/dbraw/zinc/76/46/25/556764625.db2.gz WXHALYXEKQHCIS-LFIBNONCSA-N 0 0 429.557 4.791 50 0 biogenic IJAARN CN(CCOc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000058161210 556764846 /nfs/dbraw/zinc/76/48/46/556764846.db2.gz PUEJSSMOZVDLND-UHFFFAOYSA-N 0 0 425.941 4.816 50 0 IJAARN Cc1nn(C)c(C)c1CC(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000058162067 556765778 /nfs/dbraw/zinc/76/57/78/556765778.db2.gz DUYZQWXOSKZRSX-UHFFFAOYSA-N 0 0 428.536 4.792 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)N2CCCCCC2)cc1 ZINC000034095801 556767721 /nfs/dbraw/zinc/76/77/21/556767721.db2.gz GMQXZMLUWQSYEB-PGMHBOJBSA-N 0 0 441.369 4.931 50 0 IJAARN Cc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2)cc1 ZINC000058169958 556767770 /nfs/dbraw/zinc/76/77/70/556767770.db2.gz PJZMHRAXSYEKAN-DEOSSOPVSA-N 0 0 431.927 4.547 50 0 IJAARN O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[nH]c2scc(-c3ccco3)c21 ZINC000058172501 556768588 /nfs/dbraw/zinc/76/85/88/556768588.db2.gz DGFLCDTVBVAUAM-QGZVFWFLSA-N 0 0 449.532 4.743 50 0 IJAARN c1cnc2ccc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCCC5)cc2c1 ZINC000058175033 556769125 /nfs/dbraw/zinc/76/91/25/556769125.db2.gz PPJZGJVYNHZXRF-UHFFFAOYSA-N 0 0 432.549 4.743 50 0 IJAARN COc1cccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000001288283 556770200 /nfs/dbraw/zinc/77/02/00/556770200.db2.gz CFYRBXWELCSVPY-UVMWJGKXSA-N 0 0 427.806 4.951 50 0 IJAARN C[C@@H](NC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209310 556771734 /nfs/dbraw/zinc/77/17/34/556771734.db2.gz QEBBOZLXHQHKGB-WBVHZDCISA-N 0 0 442.922 4.586 50 0 IJAARN Cc1nc(CSc2ccccc2C(=O)NCCNc2ncnc3ccccc32)cs1 ZINC000058216208 556772514 /nfs/dbraw/zinc/77/25/14/556772514.db2.gz DRMIKPWSFQOIRE-UHFFFAOYSA-N 0 0 435.578 4.529 50 0 IJAARN CC(=O)Nc1cccc2c1CCCN2[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000058218994 556773289 /nfs/dbraw/zinc/77/32/89/556773289.db2.gz MGDBPVLQYHRRMJ-KBPBESRZSA-N 0 0 434.367 4.970 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000058325056 556780994 /nfs/dbraw/zinc/78/09/94/556780994.db2.gz ZPHQPIXEADDMMV-UHFFFAOYSA-N 0 0 434.561 4.587 50 0 IJAARN CCOc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)N(C)C)c(Cl)c3)cs2)cc1 ZINC000058344565 556782167 /nfs/dbraw/zinc/78/21/67/556782167.db2.gz FBENSIIJYASRQW-UHFFFAOYSA-N 0 0 443.956 4.745 50 0 IJAARN O=C(c1cccc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1)N1CCCCC1 ZINC000058357837 556782941 /nfs/dbraw/zinc/78/29/41/556782941.db2.gz ZRHPADUFETUMJA-UHFFFAOYSA-N 0 0 441.453 4.604 50 0 IJAARN Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc(N4CCCC4)s3)cc2)cc1 ZINC000058369369 556783355 /nfs/dbraw/zinc/78/33/55/556783355.db2.gz GSAYKECMTGGWGO-UHFFFAOYSA-N 0 0 431.608 4.572 50 0 IJAARN O=C(CNc1ccc(Br)cc1F)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000058381771 556784571 /nfs/dbraw/zinc/78/45/71/556784571.db2.gz HWGAQWXZBAIPEO-MRXNPFEDSA-N 0 0 432.249 4.564 50 0 IJAARN O=C(CNc1ccc(Br)cc1F)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000058381769 556784586 /nfs/dbraw/zinc/78/45/86/556784586.db2.gz HWGAQWXZBAIPEO-INIZCTEOSA-N 0 0 432.249 4.564 50 0 IJAARN COc1cc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)c(C(=O)N2CCCC2)cc1OC ZINC000058393819 556785142 /nfs/dbraw/zinc/78/51/42/556785142.db2.gz LLDBMFVGFNFUEE-FQEVSTJZSA-N 0 0 445.585 4.910 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)ccc2s1 ZINC000058440729 556788936 /nfs/dbraw/zinc/78/89/36/556788936.db2.gz UZRSIUWRJSZRIS-LJQANCHMSA-N 0 0 439.537 4.686 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058880281 556792443 /nfs/dbraw/zinc/79/24/43/556792443.db2.gz GTTJTCSXBMKVCS-UHFFFAOYSA-N 0 0 449.864 4.899 50 0 IJAARN COc1ccccc1C[C@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000058988223 556793661 /nfs/dbraw/zinc/79/36/61/556793661.db2.gz MFYWNBDNZSEJMP-QGZVFWFLSA-N 0 0 440.341 4.695 50 0 IJAARN CCCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)[C@H](C)c1ccccc1Br ZINC000059120249 556795066 /nfs/dbraw/zinc/79/50/66/556795066.db2.gz WPZDRGUJBONWKJ-OAHLLOKOSA-N 0 0 445.357 4.712 50 0 IJAARN CC(=O)Nc1ccc(Nc2nc3nonc3nc2Nc2cc(Cl)ccc2Cl)cc1 ZINC000059597097 556802905 /nfs/dbraw/zinc/80/29/05/556802905.db2.gz CFAQSYLLJWCXTB-UHFFFAOYSA-N 0 0 430.255 4.765 50 0 IJAARN COc1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCCC2)c(OC)c1 ZINC000003222806 556805776 /nfs/dbraw/zinc/80/57/76/556805776.db2.gz GPSLXBOPSWPTJL-UHFFFAOYSA-N 0 0 437.462 4.764 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(F)c1 ZINC000003229801 556805984 /nfs/dbraw/zinc/80/59/84/556805984.db2.gz ASADHCRDDDUJEX-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)NCc1ccccc1Cl ZINC000003230362 556806049 /nfs/dbraw/zinc/80/60/49/556806049.db2.gz WFWRNFVCNADGJQ-LDADJPATSA-N 0 0 429.900 4.941 50 0 IJAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)N3CCc4ccccc43)sc2c1Cl ZINC000003262022 556807327 /nfs/dbraw/zinc/80/73/27/556807327.db2.gz FRDFREYHSNVJBV-UHFFFAOYSA-N 0 0 436.316 4.963 50 0 IJAARN CCN(CC)c1ccc(NC(=O)COC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000003275342 556807744 /nfs/dbraw/zinc/80/77/44/556807744.db2.gz IPPXQTAWQYHPOE-UHFFFAOYSA-N 0 0 441.915 4.945 50 0 IJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3OC(F)F)c2C1 ZINC000003283905 556808514 /nfs/dbraw/zinc/80/85/14/556808514.db2.gz CMLPLYNVNRLULJ-AWEZNQCLSA-N 0 0 440.446 4.757 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)/C=C\c3cccc(OC)c3)cs2)cc1OC ZINC000096464230 556815948 /nfs/dbraw/zinc/81/59/48/556815948.db2.gz CJKVLAZCONFXIP-FLIBITNWSA-N 0 0 425.506 4.983 50 0 IJAARN CCn1c2ccccc2c(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1-c1ccccc1 ZINC000003457720 556815993 /nfs/dbraw/zinc/81/59/93/556815993.db2.gz HVKNDICRYZTPGY-UHFFFAOYSA-N 0 0 429.520 4.766 50 0 IJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003450914 556816035 /nfs/dbraw/zinc/81/60/35/556816035.db2.gz XSQGDKPXPRENCQ-UHFFFAOYSA-N 0 0 435.863 4.569 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 ZINC000005491974 556818459 /nfs/dbraw/zinc/81/84/59/556818459.db2.gz QOIREHZECZLDGB-UHFFFAOYSA-N 0 0 425.554 4.572 50 0 IJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3)cc(=O)n2c1 ZINC000033068175 556820934 /nfs/dbraw/zinc/82/09/34/556820934.db2.gz FZRATRCFAKLBNU-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033068192 556821247 /nfs/dbraw/zinc/82/12/47/556821247.db2.gz SDYXNDYNOFTIEE-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3=O)n2C2CCCC2)cc1 ZINC000004329232 556821922 /nfs/dbraw/zinc/82/19/22/556821922.db2.gz CFNCGTHCQXGBIZ-UHFFFAOYSA-N 0 0 426.586 4.599 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000064662286 556826520 /nfs/dbraw/zinc/82/65/20/556826520.db2.gz KLOLRTUUMMAAKI-XMMPIXPASA-N 0 0 439.556 4.706 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000064800299 556827174 /nfs/dbraw/zinc/82/71/74/556827174.db2.gz AAVAKYVRUIKURH-UHFFFAOYSA-N 0 0 430.556 4.754 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCc2cccs2)c1 ZINC000064816984 556827774 /nfs/dbraw/zinc/82/77/74/556827774.db2.gz GLEQZTSUTIXZPA-UHFFFAOYSA-N 0 0 438.578 4.834 50 0 IJAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019631026 556832577 /nfs/dbraw/zinc/83/25/77/556832577.db2.gz ASTIBVGIMKXVLJ-UHFFFAOYSA-N 0 0 440.179 4.811 50 0 IJAARN CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000019633076 556833515 /nfs/dbraw/zinc/83/35/15/556833515.db2.gz TWUMTSWYBJCVKU-VQTJNVASSA-N 0 0 441.000 4.939 50 0 IJAARN O=C(Nc1cnn(COCC(F)(F)F)c1)c1ccccc1COc1ccc(F)cc1F ZINC000019633398 556833550 /nfs/dbraw/zinc/83/35/50/556833550.db2.gz WLIUVFFFCCQVBW-UHFFFAOYSA-N 0 0 441.356 4.529 50 0 IJAARN CCCCc1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000019633472 556833705 /nfs/dbraw/zinc/83/37/05/556833705.db2.gz DBVDPWXOLLBPIM-UHFFFAOYSA-N 0 0 441.424 4.843 50 0 IJAARN CCc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C[C@@H]2CCCO2)cs1 ZINC000019637025 556835753 /nfs/dbraw/zinc/83/57/53/556835753.db2.gz AIKDAJWEOFFFDR-SFHVURJKSA-N 0 0 442.610 4.787 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000019641907 556837938 /nfs/dbraw/zinc/83/79/38/556837938.db2.gz FCSLLVOCVHWLOF-OAHLLOKOSA-N 0 0 444.597 4.587 50 0 IJAARN O=c1c2cc(F)c(F)cc2n(Cc2ccccc2)cc1S(=O)(=O)c1cccc(Cl)c1 ZINC000067340600 556842497 /nfs/dbraw/zinc/84/24/97/556842497.db2.gz BOPMSYMWKBFMAQ-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN Nc1nnc(SCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)s1 ZINC000008707127 556842616 /nfs/dbraw/zinc/84/26/16/556842616.db2.gz UBUVAWJGJCRZMX-OAHLLOKOSA-N 0 0 436.356 4.783 50 0 IJAARN COc1ccc(Cl)cc1-n1c(SCC(=O)NC2CC2)nnc1-c1cccc(Cl)c1 ZINC000008720364 556843181 /nfs/dbraw/zinc/84/31/81/556843181.db2.gz HZYRFZNZRRORPI-UHFFFAOYSA-N 0 0 449.363 4.620 50 0 IJAARN CC(C)Cn1c(SCc2ccccc2F)nc2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033076966 556852651 /nfs/dbraw/zinc/85/26/51/556852651.db2.gz HZOHLUXPYCHTBG-UHFFFAOYSA-N 0 0 427.545 4.622 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088377 556856209 /nfs/dbraw/zinc/85/62/09/556856209.db2.gz CWJYKOIAIVRYEH-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3nc4ccccc4nc3N3CCCCC3)sc2c1 ZINC000033086020 556856933 /nfs/dbraw/zinc/85/69/33/556856933.db2.gz ZPQRRVFMYCDEQF-UHFFFAOYSA-N 0 0 433.537 4.881 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033113470 556860183 /nfs/dbraw/zinc/86/01/83/556860183.db2.gz VEAJGZUOFOSVGW-AWEZNQCLSA-N 0 0 441.944 4.855 50 0 IJAARN CN(Cc1ccccc1)c1nc2ccccc2nc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000033114421 556861315 /nfs/dbraw/zinc/86/13/15/556861315.db2.gz HBKZYYVQHQTDGH-UHFFFAOYSA-N 0 0 437.952 4.894 50 0 IJAARN CCCOc1c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2sc1C(=O)OC ZINC000033123446 556864103 /nfs/dbraw/zinc/86/41/03/556864103.db2.gz YEROWFXTEXABMQ-UHFFFAOYSA-N 0 0 429.494 4.746 50 0 IJAARN COC(=O)c1sc2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2c1OCC(C)C ZINC000033123562 556864250 /nfs/dbraw/zinc/86/42/50/556864250.db2.gz XIRBGSWHUQIANL-UHFFFAOYSA-N 0 0 440.521 4.933 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c(C)c1 ZINC000033125656 556866539 /nfs/dbraw/zinc/86/65/39/556866539.db2.gz UKTXSLDRIIBKCA-KRWDZBQOSA-N 0 0 425.916 4.526 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(=O)n(-c3cc(Cl)ccc3C)n2)c(C)c1 ZINC000033125654 556866594 /nfs/dbraw/zinc/86/65/94/556866594.db2.gz UKTXSLDRIIBKCA-QGZVFWFLSA-N 0 0 425.916 4.526 50 0 IJAARN CCCCN1C(=O)CN(C2CCCCCC2)C(=O)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000004672943 556868068 /nfs/dbraw/zinc/86/80/68/556868068.db2.gz NIZPAIJNUVEJFE-DEOSSOPVSA-N 0 0 430.589 4.719 50 0 IJAARN Cc1c(C)n(-c2ccccc2)c2nc(C(=O)NCc3ccc(C)cc3)nc(N3CCCC3)c12 ZINC000033130667 556871089 /nfs/dbraw/zinc/87/10/89/556871089.db2.gz DTZYRTHJWRZTKU-UHFFFAOYSA-N 0 0 439.563 4.876 50 0 IJAARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000043729688 556873324 /nfs/dbraw/zinc/87/33/24/556873324.db2.gz ZMNBCJXBGZZQOX-LNEBKTTKSA-N 0 0 444.531 4.645 50 0 IJAARN Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)nc1 ZINC000033139280 556874127 /nfs/dbraw/zinc/87/41/27/556874127.db2.gz DTNBLSRIGKEEPA-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1CC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000033140743 556876733 /nfs/dbraw/zinc/87/67/33/556876733.db2.gz YKZSQZLJGCRACE-UHFFFAOYSA-N 0 0 430.596 4.614 50 0 IJAARN Cc1cccc2[nH]c(CN(C)C(=O)c3cc(COc4cccc(C(F)(F)F)c4)on3)nc21 ZINC000019741010 556882250 /nfs/dbraw/zinc/88/22/50/556882250.db2.gz OVRNMQFWNWBLTA-UHFFFAOYSA-N 0 0 444.413 4.729 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000033170569 556886143 /nfs/dbraw/zinc/88/61/43/556886143.db2.gz MXTZROMZXVNCQS-LUAWRHEFSA-N 0 0 439.537 4.838 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249364 556889117 /nfs/dbraw/zinc/88/91/17/556889117.db2.gz HYVSNDPSEKULHH-UHFFFAOYSA-N 0 0 442.968 4.902 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F ZINC000033254471 556890506 /nfs/dbraw/zinc/89/05/06/556890506.db2.gz OMDSPJLHYPJFBF-UHFFFAOYSA-N 0 0 448.498 4.552 50 0 IJAARN Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nn2)c1 ZINC000033256968 556895550 /nfs/dbraw/zinc/89/55/50/556895550.db2.gz BLETYEWWWBFRKC-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1F ZINC000033258271 556895909 /nfs/dbraw/zinc/89/59/09/556895909.db2.gz HLNKHHVSVPKYLN-UHFFFAOYSA-N 0 0 435.503 4.806 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)cc1 ZINC000033260992 556898222 /nfs/dbraw/zinc/89/82/22/556898222.db2.gz DSMVZXBFAWSWTK-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 ZINC000033262488 556900617 /nfs/dbraw/zinc/90/06/17/556900617.db2.gz AMJLJSGTZDICOK-UHFFFAOYSA-N 0 0 434.477 4.613 50 0 IJAARN O=C(c1ccccc1Br)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019759010 556902585 /nfs/dbraw/zinc/90/25/85/556902585.db2.gz VTCNFVKXLUZNKY-UHFFFAOYSA-N 0 0 435.365 4.997 50 0 IJAARN COC(=O)c1cccc(O[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000019799974 556917306 /nfs/dbraw/zinc/91/73/06/556917306.db2.gz RAGYJRLZIDVCLZ-MRXNPFEDSA-N 0 0 437.106 4.632 50 0 IJAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1NCc1ccco1)c1ccc(Cl)cc1 ZINC000019811070 556919060 /nfs/dbraw/zinc/91/90/60/556919060.db2.gz YNYGNSFWRFHYGN-DHIUTWEWSA-N 0 0 438.936 4.950 50 0 IJAARN COc1ccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)c(OC)c1 ZINC000019821281 556924406 /nfs/dbraw/zinc/92/44/06/556924406.db2.gz HMWGWNKCBABIHW-UHFFFAOYSA-N 0 0 446.894 4.679 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2cccnc2)cc1 ZINC000019823852 556925193 /nfs/dbraw/zinc/92/51/93/556925193.db2.gz NPMXIUQJUIGDSX-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN Clc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Br)o5)nn43)[nH]n2)cc1 ZINC000019827424 556925965 /nfs/dbraw/zinc/92/59/65/556925965.db2.gz NWYXRQRVUNRSNO-UHFFFAOYSA-N 0 0 447.705 4.919 50 0 IJAARN COC(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019859236 556932130 /nfs/dbraw/zinc/93/21/30/556932130.db2.gz AXIBPPSLVBQYBW-UHFFFAOYSA-N 0 0 445.588 4.577 50 0 IJAARN CC(C)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000019939619 556953301 /nfs/dbraw/zinc/95/33/01/556953301.db2.gz UTRNJWPFXRRSRT-UHFFFAOYSA-N 0 0 444.626 4.676 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000019962149 556955599 /nfs/dbraw/zinc/95/55/99/556955599.db2.gz YCXJXNQRXPSBBY-XMMPIXPASA-N 0 0 438.531 4.758 50 0 IJAARN CCCNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccccc1 ZINC000033266908 556978995 /nfs/dbraw/zinc/97/89/95/556978995.db2.gz LOZIZVYNWCSDCY-DEOSSOPVSA-N 0 0 425.536 4.996 50 0 IJAARN Cc1cc(Br)c(NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1Cl ZINC000097143838 556992285 /nfs/dbraw/zinc/99/22/85/556992285.db2.gz LXBRZBXASPDEHV-UHFFFAOYSA-N 0 0 430.755 4.643 50 0 IJAARN COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)c1 ZINC000076989328 556995664 /nfs/dbraw/zinc/99/56/64/556995664.db2.gz ALABJFDHDSSMMW-INIZCTEOSA-N 0 0 430.932 4.628 50 0 IJAARN O=C(c1ccc(Oc2cc(Cl)cc(Cl)c2)o1)N1CCN(Cc2cccnc2)CC1 ZINC000020223686 557000607 /nfs/dbraw/zinc/00/06/07/557000607.db2.gz IBIASUPSTBKLSL-UHFFFAOYSA-N 0 0 432.307 4.732 50 0 IJAARN CCN(C(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C)c1ccccc1 ZINC000023127026 557011645 /nfs/dbraw/zinc/01/16/45/557011645.db2.gz LDBQPMVJEIABQZ-UHFFFAOYSA-N 0 0 435.574 4.807 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020394129 557013067 /nfs/dbraw/zinc/01/30/67/557013067.db2.gz PQLZBWZFYJSUMR-UHFFFAOYSA-N 0 0 443.547 4.691 50 0 IJAARN CN1CCc2c(sc3nc(SCc4ccc(F)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000020392834 557013082 /nfs/dbraw/zinc/01/30/82/557013082.db2.gz BCYODJIQXDHRJW-UHFFFAOYSA-N 0 0 437.565 4.867 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2)Nc1cccc(F)c1 ZINC000045994576 557014912 /nfs/dbraw/zinc/01/49/12/557014912.db2.gz DHXWHVATYLIPPR-UHFFFAOYSA-N 0 0 449.869 4.767 50 0 IJAARN CCOC(=O)COc1cc(C(F)(F)F)c2c(C)nn(-c3cccc(Cl)c3C)c2n1 ZINC000045995555 557015539 /nfs/dbraw/zinc/01/55/39/557015539.db2.gz QXMQFYJDANRJEL-UHFFFAOYSA-N 0 0 427.810 4.651 50 0 IJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)cc12 ZINC000020440080 557016881 /nfs/dbraw/zinc/01/68/81/557016881.db2.gz MMCWBHDKGXVLFE-UHFFFAOYSA-N 0 0 448.567 4.801 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)NCc3ccc(Cl)cc3)cc(C)c12 ZINC000045991673 557017103 /nfs/dbraw/zinc/01/71/03/557017103.db2.gz QZGCBZMXQUAEPR-KRWDZBQOSA-N 0 0 434.927 4.774 50 0 IJAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cc(C(F)(F)F)c12 ZINC000045992405 557018129 /nfs/dbraw/zinc/01/81/29/557018129.db2.gz UWLVDRCHNGRANO-NSHDSACASA-N 0 0 426.826 4.663 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@@H](C)c1ccccc1 ZINC000046004156 557019187 /nfs/dbraw/zinc/01/91/87/557019187.db2.gz GWFATHSOZVRGFZ-SFHVURJKSA-N 0 0 434.561 4.863 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(C(C)C)c3cnn(-c4ccc(F)cc4)c32)o1 ZINC000023137716 557019739 /nfs/dbraw/zinc/01/97/39/557019739.db2.gz XKACMELHUBQYTD-UHFFFAOYSA-N 0 0 426.473 4.750 50 0 IJAARN CCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017070 557020091 /nfs/dbraw/zinc/02/00/91/557020091.db2.gz NGAWOGQWDPOJBW-SFHVURJKSA-N 0 0 428.536 4.856 50 0 IJAARN O=C(COC(=O)c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1N1CCCC1=O ZINC000010713322 557020423 /nfs/dbraw/zinc/02/04/23/557020423.db2.gz BZYONRSCLCUTTM-UHFFFAOYSA-N 0 0 438.867 4.522 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 ZINC000046017162 557020454 /nfs/dbraw/zinc/02/04/54/557020454.db2.gz DZVUGXXUFLCKJO-HXUWFJFHSA-N 0 0 449.576 4.644 50 0 IJAARN COc1cccc(CSc2nc(C)c(CC(=O)Nc3cccc(Cl)c3C)c(=O)[nH]2)c1 ZINC000023138568 557021596 /nfs/dbraw/zinc/02/15/96/557021596.db2.gz VJAXQOAQOYULAX-UHFFFAOYSA-N 0 0 443.956 4.522 50 0 IJAARN O=c1cc(CN(Cc2ccco2)Cc2ccccc2)nc2sc(-c3ccccc3)nn21 ZINC000046032359 557024766 /nfs/dbraw/zinc/02/47/66/557024766.db2.gz IAKICNPGDRPTKJ-UHFFFAOYSA-N 0 0 428.517 4.613 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000046043807 557025075 /nfs/dbraw/zinc/02/50/75/557025075.db2.gz VHOGHRFFTFCYBI-CQSZACIVSA-N 0 0 440.849 4.858 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1C ZINC000032945505 557029007 /nfs/dbraw/zinc/02/90/07/557029007.db2.gz KNGNSQYYBREKAH-UHFFFAOYSA-N 0 0 433.580 4.760 50 0 IJAARN CCCN(C(=O)c1cc(=O)c2cc(C)ccc2o1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000010806549 557029036 /nfs/dbraw/zinc/02/90/36/557029036.db2.gz XFYCBUCTZSESKL-HNNXBMFYSA-N 0 0 426.900 4.634 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCC(C)C)cc3c2)cc1 ZINC000046058729 557029371 /nfs/dbraw/zinc/02/93/71/557029371.db2.gz CHTJICVXHAHCGG-UHFFFAOYSA-N 0 0 430.595 4.811 50 0 IJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1 ZINC000046058383 557029401 /nfs/dbraw/zinc/02/94/01/557029401.db2.gz WDULJGQUOPRXPS-UHFFFAOYSA-N 0 0 442.484 4.958 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080053 557035224 /nfs/dbraw/zinc/03/52/24/557035224.db2.gz IQPPYBWLOHEFOO-UHFFFAOYSA-N 0 0 443.503 4.558 50 0 IJAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)cc1 ZINC000046079961 557035258 /nfs/dbraw/zinc/03/52/58/557035258.db2.gz MLHAQCYEGFDPFF-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 ZINC000046123148 557036960 /nfs/dbraw/zinc/03/69/60/557036960.db2.gz COMHXWNSAKTLIE-AWEZNQCLSA-N 0 0 444.919 4.603 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccccc1N1CCCC1=O ZINC000010858921 557040760 /nfs/dbraw/zinc/04/07/60/557040760.db2.gz FPDXGTQDWCCSSN-UHFFFAOYSA-N 0 0 429.480 4.651 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc(OCC)c1OCC ZINC000017247756 557042093 /nfs/dbraw/zinc/04/20/93/557042093.db2.gz WXJAYRVDAIJLRZ-UHFFFAOYSA-N 0 0 440.540 4.824 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000010862845 557043292 /nfs/dbraw/zinc/04/32/92/557043292.db2.gz KHRKUAULWYLLDG-DEOSSOPVSA-N 0 0 427.500 4.577 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000051357576 557044937 /nfs/dbraw/zinc/04/49/37/557044937.db2.gz SHHOUTLNBJOBKA-UHFFFAOYSA-N 0 0 447.535 4.647 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000017287973 557045347 /nfs/dbraw/zinc/04/53/47/557045347.db2.gz IBVPNYKIMFLBCT-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN CCN(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)c1ccccc1 ZINC000017288248 557045713 /nfs/dbraw/zinc/04/57/13/557045713.db2.gz LPYLKSNIQQSGRC-UHFFFAOYSA-N 0 0 432.545 4.668 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022919197 557046300 /nfs/dbraw/zinc/04/63/00/557046300.db2.gz LLQHDRVKXVBOFY-DEOSSOPVSA-N 0 0 435.593 4.644 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000048234717 557046413 /nfs/dbraw/zinc/04/64/13/557046413.db2.gz UBFGHXSICRVRFA-QHCPKHFHSA-N 0 0 428.536 4.940 50 0 IJAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cc(F)ccc4C)n3)nc2c1 ZINC000033270877 557048085 /nfs/dbraw/zinc/04/80/85/557048085.db2.gz PFBPZRQURMKRBT-UHFFFAOYSA-N 0 0 425.489 4.565 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CCC)cc1 ZINC000017270869 557048881 /nfs/dbraw/zinc/04/88/81/557048881.db2.gz FGNRCSYOSUTUIP-UHFFFAOYSA-N 0 0 430.570 4.610 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)nc3n2)cc1 ZINC000033271816 557049441 /nfs/dbraw/zinc/04/94/41/557049441.db2.gz YZLSWXKMVBXRSS-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN CCOc1ccccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271781 557050037 /nfs/dbraw/zinc/05/00/37/557050037.db2.gz LGXTZIFSLOTRSK-UHFFFAOYSA-N 0 0 445.376 4.600 50 0 IJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017305736 557051973 /nfs/dbraw/zinc/05/19/73/557051973.db2.gz MNMHRRHTYKXWMA-CYBMUJFWSA-N 0 0 437.853 4.571 50 0 IJAARN CSc1ccc(-c2noc(Cn3nc(-c4ccccc4)c4ccccc4c3=O)n2)cc1 ZINC000033273831 557052239 /nfs/dbraw/zinc/05/22/39/557052239.db2.gz XDKXROGNXNFUSD-UHFFFAOYSA-N 0 0 426.501 4.884 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC000033272877 557053006 /nfs/dbraw/zinc/05/30/06/557053006.db2.gz CFZXIQSZDWZRTK-UHFFFAOYSA-N 0 0 444.919 4.603 50 0 IJAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(C)cc4)s3)c2C)c1 ZINC000033273858 557053173 /nfs/dbraw/zinc/05/31/73/557053173.db2.gz GLNPMKMPSAMNFA-UHFFFAOYSA-N 0 0 449.605 4.968 50 0 IJAARN Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275016 557053497 /nfs/dbraw/zinc/05/34/97/557053497.db2.gz OYVAZWPBGOMEEO-UHFFFAOYSA-N 0 0 447.489 4.838 50 0 IJAARN Cc1cc(C)cc(-c2cc3nc(C)cc(N4CCC(C(=O)NCCC(C)C)CC4)n3n2)c1 ZINC000033275132 557053641 /nfs/dbraw/zinc/05/36/41/557053641.db2.gz DQGVDSLXKLAXPU-UHFFFAOYSA-N 0 0 433.600 4.700 50 0 IJAARN COc1ccc([C@@H](NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)C2CC2)cc1 ZINC000048289136 557054522 /nfs/dbraw/zinc/05/45/22/557054522.db2.gz USRQNOMSGFRUPW-DEOSSOPVSA-N 0 0 426.520 4.833 50 0 IJAARN O=C(CCOc1ccc(F)cc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000048286403 557058427 /nfs/dbraw/zinc/05/84/27/557058427.db2.gz GWBHZORXCIFFBV-FQEVSTJZSA-N 0 0 427.907 4.687 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Oc2ccccc2Br)cc1 ZINC000023042813 557059420 /nfs/dbraw/zinc/05/94/20/557059420.db2.gz HYGPUSJTGDCJME-HZPDHXFCSA-N 0 0 446.341 4.837 50 0 IJAARN CCN(CC)Cc1nc(C2(NC(=O)c3ccc(-c4ccc(F)cc4)s3)CCCC2)no1 ZINC000048311887 557061286 /nfs/dbraw/zinc/06/12/86/557061286.db2.gz SZFLJQYVHSNLKK-UHFFFAOYSA-N 0 0 442.560 4.978 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033283828 557063163 /nfs/dbraw/zinc/06/31/63/557063163.db2.gz CWUYFWKSKUTIAK-RUZDIDTESA-N 0 0 432.545 4.821 50 0 IJAARN Cc1sc2nc(-c3ccccn3)nc(N[C@@H]3CCCCNC3=O)c2c1-c1ccccc1 ZINC000048302500 557063609 /nfs/dbraw/zinc/06/36/09/557063609.db2.gz MFVRLQOIRIFONU-GOSISDBHSA-N 0 0 429.549 4.809 50 0 IJAARN COc1ccccc1CN1CCc2nc(SCc3c(C)cc(C)cc3C)[nH]c(=O)c2C1 ZINC000033287267 557064184 /nfs/dbraw/zinc/06/41/84/557064184.db2.gz PVTVBPMOAIJATE-UHFFFAOYSA-N 0 0 435.593 4.967 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)cc1Cl ZINC000033287426 557064701 /nfs/dbraw/zinc/06/47/01/557064701.db2.gz IFHBIBOAOMCDLA-UHFFFAOYSA-N 0 0 432.911 4.765 50 0 IJAARN COc1ccc([C@H](NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1 ZINC000048324931 557065632 /nfs/dbraw/zinc/06/56/32/557065632.db2.gz HROCGIPXUBQLNC-PDTOIUCRSA-N 0 0 446.591 4.622 50 0 IJAARN O=C(NCc1cccc(OCc2ccccn2)c1)[C@@H](OCC(F)(F)F)c1ccccc1 ZINC000048332057 557069830 /nfs/dbraw/zinc/06/98/30/557069830.db2.gz IBQRPAWWVZQUPG-NRFANRHFSA-N 0 0 430.426 4.597 50 0 IJAARN COc1ccc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1N1CCCC1=O ZINC000048331951 557069869 /nfs/dbraw/zinc/06/98/69/557069869.db2.gz ZGJIMBCESCGZQB-QGZVFWFLSA-N 0 0 431.492 4.609 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 ZINC000033297876 557073534 /nfs/dbraw/zinc/07/35/34/557073534.db2.gz FDQYBSGQWDROAE-KAMYIIQDSA-N 0 0 439.537 4.920 50 0 IJAARN COc1ccccc1-c1noc(CSc2nnc(COc3ccccc3Cl)o2)n1 ZINC000023220605 557073917 /nfs/dbraw/zinc/07/39/17/557073917.db2.gz RWOWFJXXMGOPCV-UHFFFAOYSA-N 0 0 430.873 4.653 50 0 IJAARN COc1ccc(CNC(=O)CSc2nccc3c2ccn3Cc2ccccc2)cc1OC ZINC000033298420 557074229 /nfs/dbraw/zinc/07/42/29/557074229.db2.gz VSELSEPHZDFQMU-UHFFFAOYSA-N 0 0 447.560 4.510 50 0 IJAARN CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000048991334 557080808 /nfs/dbraw/zinc/08/08/08/557080808.db2.gz ALYOVXJNSGSRHN-UHFFFAOYSA-N 0 0 448.997 4.719 50 0 IJAARN Cc1ccc(-n2c(N(C)C)nc3cc(C(=O)NCc4ccc(F)cc4F)sc32)cc1 ZINC000033301018 557082975 /nfs/dbraw/zinc/08/29/75/557082975.db2.gz NCMBQFBAFCUPDB-UHFFFAOYSA-N 0 0 426.492 4.670 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(=O)OC)c1 ZINC000049005149 557084290 /nfs/dbraw/zinc/08/42/90/557084290.db2.gz RSQVOBMEKCJHRA-LJQANCHMSA-N 0 0 432.524 4.873 50 0 IJAARN O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000023353288 557086663 /nfs/dbraw/zinc/08/66/63/557086663.db2.gz ICFICKJKFIAZNK-UHFFFAOYSA-N 0 0 427.847 4.941 50 0 IJAARN Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000023382099 557089224 /nfs/dbraw/zinc/08/92/24/557089224.db2.gz XXXDKYCVPBUHDO-QFIPXVFZSA-N 0 0 428.467 4.601 50 0 IJAARN CCCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2ccc(C)nc21 ZINC000049002273 557089859 /nfs/dbraw/zinc/08/98/59/557089859.db2.gz GGYKIQWMDRIZEM-UHFFFAOYSA-N 0 0 427.504 4.946 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)cc1 ZINC000023382499 557089844 /nfs/dbraw/zinc/08/98/44/557089844.db2.gz UCAMKMLMBSKZLM-XKZIYDEJSA-N 0 0 444.512 4.510 50 0 IJAARN O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccccc1C(F)(F)F ZINC000049002865 557090467 /nfs/dbraw/zinc/09/04/67/557090467.db2.gz DBDBRKSSOAZWAH-UHFFFAOYSA-N 0 0 429.423 4.783 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 ZINC000049401826 557097307 /nfs/dbraw/zinc/09/73/07/557097307.db2.gz GRNDMGRMJJHTGX-UHFFFAOYSA-N 0 0 434.565 4.524 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H]4CCc5ccccc54)CC3)ncn2)cc1 ZINC000049401959 557097375 /nfs/dbraw/zinc/09/73/75/557097375.db2.gz NOPPSBIQKRZCOS-DEOSSOPVSA-N 0 0 442.563 4.851 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1OC ZINC000033313160 557098305 /nfs/dbraw/zinc/09/83/05/557098305.db2.gz RXJDGUWLLRDJBD-SFHVURJKSA-N 0 0 446.551 4.642 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000033318344 557099708 /nfs/dbraw/zinc/09/97/08/557099708.db2.gz IUTLPZCOTZEZRY-UHFFFAOYSA-N 0 0 431.540 4.709 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1OC ZINC000033318614 557100215 /nfs/dbraw/zinc/10/02/15/557100215.db2.gz CGTCKEJPZXURLC-UHFFFAOYSA-N 0 0 448.527 4.790 50 0 IJAARN O=C(CSc1ncccc1-c1nc(-c2cccs2)no1)NCc1ccccc1Cl ZINC000049407024 557102527 /nfs/dbraw/zinc/10/25/27/557102527.db2.gz JWUGTSYYZBOJSC-UHFFFAOYSA-N 0 0 442.953 4.922 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C)n3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320736 557104544 /nfs/dbraw/zinc/10/45/44/557104544.db2.gz HKMRIEDXANTZGP-UHFFFAOYSA-N 0 0 435.528 4.560 50 0 IJAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(-c3cccs3)c(-c3cccs3)s1)CS2 ZINC000023682292 557106174 /nfs/dbraw/zinc/10/61/74/557106174.db2.gz YXPHDTQYUODABZ-JEOXALJRSA-N 0 0 447.632 4.993 50 0 IJAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(Cl)c4C)c(C)n3n2)cc1 ZINC000086069757 557108039 /nfs/dbraw/zinc/10/80/39/557108039.db2.gz HHLSCKLXVFDXKB-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)c1 ZINC000049421820 557108586 /nfs/dbraw/zinc/10/85/86/557108586.db2.gz GYRWWQSZFUMEJW-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4F)n3)c2)cc1 ZINC000033327363 557109666 /nfs/dbraw/zinc/10/96/66/557109666.db2.gz SKMQTTJYMSBMHD-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 ZINC000049546595 557111750 /nfs/dbraw/zinc/11/17/50/557111750.db2.gz IKIKETWGWKJRDK-RUZDIDTESA-N 0 0 446.591 4.849 50 0 IJAARN C[C@H](NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccccc1 ZINC000033330652 557114070 /nfs/dbraw/zinc/11/40/70/557114070.db2.gz QKHIDJNFFSAPJI-HNNXBMFYSA-N 0 0 429.505 4.507 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000033331949 557116719 /nfs/dbraw/zinc/11/67/19/557116719.db2.gz WXNVNSDLULRQKB-YMJPAYASSA-N 0 0 433.552 4.965 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000023849577 557120692 /nfs/dbraw/zinc/12/06/92/557120692.db2.gz NBJQRPOORKWRMC-MRXNPFEDSA-N 0 0 436.610 4.554 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)C[C@@H]4CSc5nc(C)cc(=O)n54)cc3)sc2c1 ZINC000012236465 557120710 /nfs/dbraw/zinc/12/07/10/557120710.db2.gz XRDOOCSTOZPZLZ-QGZVFWFLSA-N 0 0 448.573 4.812 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br ZINC000001099314 557121055 /nfs/dbraw/zinc/12/10/55/557121055.db2.gz DIVKSRSMVSKQRO-UHFFFAOYSA-N 0 0 448.338 4.838 50 0 IJAARN Brc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000633941 557123361 /nfs/dbraw/zinc/12/33/61/557123361.db2.gz VBJCFRBXAOWCOU-HZPDHXFCSA-N 0 0 434.135 4.949 50 0 IJAARN Brc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 ZINC000000633943 557123426 /nfs/dbraw/zinc/12/34/26/557123426.db2.gz VBJCFRBXAOWCOU-JKSUJKDBSA-N 0 0 434.135 4.949 50 0 IJAARN Cc1nc2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc2n1-c1ccccc1 ZINC000017822501 557124416 /nfs/dbraw/zinc/12/44/16/557124416.db2.gz XLNQDWJBUQNCSL-OAQYLSRUSA-N 0 0 438.531 4.825 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004800111 557127433 /nfs/dbraw/zinc/12/74/33/557127433.db2.gz YMTDJDGYTKZXLZ-AOYPEHQESA-N 0 0 444.531 4.999 50 0 IJAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017919601 557128673 /nfs/dbraw/zinc/12/86/73/557128673.db2.gz YHWRGPPHBFCXQM-ZRBLBEILSA-N 0 0 448.906 4.790 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000000655808 557129637 /nfs/dbraw/zinc/12/96/37/557129637.db2.gz PTZWOBWNMGURDT-LLVKDONJSA-N 0 0 439.480 4.912 50 0 IJAARN O=C(Nc1cccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1)c1cccs1 ZINC000024028532 557132372 /nfs/dbraw/zinc/13/23/72/557132372.db2.gz BDKUOWBZOFNMKA-UHFFFAOYSA-N 0 0 448.548 4.883 50 0 IJAARN Cc1sc2[nH]c(SCC(=O)NCc3ccccc3F)nc(=O)c2c1-c1ccccc1 ZINC000024747055 557132818 /nfs/dbraw/zinc/13/28/18/557132818.db2.gz JLTAZYRXHUKZDP-UHFFFAOYSA-N 0 0 439.537 4.508 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C(N)=O)c1C ZINC000000688849 557136182 /nfs/dbraw/zinc/13/61/82/557136182.db2.gz DABNOATXMSHYRU-SDNWHVSQSA-N 0 0 441.597 4.587 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003121886 557136699 /nfs/dbraw/zinc/13/66/99/557136699.db2.gz KDVUKPVQKAFBHT-AWEZNQCLSA-N 0 0 432.760 4.596 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000018003134 557141553 /nfs/dbraw/zinc/14/15/53/557141553.db2.gz IOYDDVJUIIRNHV-UHFFFAOYSA-N 0 0 425.488 4.621 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000024227148 557141794 /nfs/dbraw/zinc/14/17/94/557141794.db2.gz YNRDKBGQEKAIHU-UHFFFAOYSA-N 0 0 439.519 4.848 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)n(CC(C)C)c1C ZINC000023264654 557144093 /nfs/dbraw/zinc/14/40/93/557144093.db2.gz ZSYXDSQGWNEIEI-SFHVURJKSA-N 0 0 426.542 4.812 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4[C@H](C)CCC[C@H]4C)cc3n2)cc1 ZINC000000711603 557145890 /nfs/dbraw/zinc/14/58/90/557145890.db2.gz XKJBXGDXNIHBPF-ZIAGYGMSSA-N 0 0 432.446 4.827 50 0 IJAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Oc1ccccc1Cl ZINC000024401321 557146231 /nfs/dbraw/zinc/14/62/31/557146231.db2.gz ZZASWFGHJDEJDU-UHFFFAOYSA-N 0 0 441.915 4.716 50 0 IJAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1SC(=S)N1C[C@H](C)O[C@@H](C)C1 ZINC000000717475 557148402 /nfs/dbraw/zinc/14/84/02/557148402.db2.gz WANRXLSBXQMZLB-YUMQZZPRSA-N 0 0 443.805 4.705 50 0 IJAARN Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000016399618 557150423 /nfs/dbraw/zinc/15/04/23/557150423.db2.gz FCFBVHRQDSNMTJ-UHFFFAOYSA-N 0 0 441.862 4.690 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000024598236 557152474 /nfs/dbraw/zinc/15/24/74/557152474.db2.gz RMFPKWSIDIHTSK-UHFFFAOYSA-N 0 0 434.923 4.899 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc(OC)cc2)cc1 ZINC000000724095 557153293 /nfs/dbraw/zinc/15/32/93/557153293.db2.gz IQHGNRJRDZGXKB-UHFFFAOYSA-N 0 0 431.444 4.699 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608508 557153999 /nfs/dbraw/zinc/15/39/99/557153999.db2.gz ABCQVBXQFLSSMF-UHFFFAOYSA-N 0 0 442.968 4.674 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 ZINC000024608842 557154388 /nfs/dbraw/zinc/15/43/88/557154388.db2.gz GGIQOVWWOKWIIB-UHFFFAOYSA-N 0 0 428.598 4.518 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929347 557161930 /nfs/dbraw/zinc/16/19/30/557161930.db2.gz OHWBNWGCDFRSAB-JOCHJYFZSA-N 0 0 432.911 4.610 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccc4ncccc43)c2)cc1C ZINC000024757034 557163676 /nfs/dbraw/zinc/16/36/76/557163676.db2.gz HOOHKOALCXTDDN-UHFFFAOYSA-N 0 0 431.517 4.905 50 0 IJAARN COc1cccc(-n2c3nc(SC)n(-c4ccc(F)cc4)c(=O)c3sc2=S)c1 ZINC000000756697 557170339 /nfs/dbraw/zinc/17/03/39/557170339.db2.gz PYAIGVSKEKTHMS-UHFFFAOYSA-N 0 0 431.539 4.837 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccccc1F ZINC000000778381 557173988 /nfs/dbraw/zinc/17/39/88/557173988.db2.gz SFJKMUBGRNEVLZ-UHFFFAOYSA-N 0 0 426.469 4.795 50 0 IJAARN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000000780543 557176012 /nfs/dbraw/zinc/17/60/12/557176012.db2.gz RNVWCYNOEWJPIV-NIYFSFCBSA-N 0 0 430.573 4.994 50 0 IJAARN COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000024890184 557177363 /nfs/dbraw/zinc/17/73/63/557177363.db2.gz ZIOLKBYZELUFPB-UHFFFAOYSA-N 0 0 444.871 4.850 50 0 IJAARN CC(=O)N(c1nc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cs1)c1cccc(Cl)c1 ZINC000097987528 557183876 /nfs/dbraw/zinc/18/38/76/557183876.db2.gz RPLNARLGVHCPHX-VCHYOVAHSA-N 0 0 441.871 4.965 50 0 IJAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000011557985 557183886 /nfs/dbraw/zinc/18/38/86/557183886.db2.gz OORLNZDNJHTAHM-UHFFFAOYSA-N 0 0 441.413 4.733 50 0 IJAARN CN(C(=O)CSc1ncnc2sccc21)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000024971729 557184027 /nfs/dbraw/zinc/18/40/27/557184027.db2.gz BZDZYJQPLIPXLC-OAQYLSRUSA-N 0 0 445.997 4.934 50 0 IJAARN O=C(CSc1nnc2n1CCCCC2)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000024977844 557184829 /nfs/dbraw/zinc/18/48/29/557184829.db2.gz ZNTDWQFPALHDCM-IBGZPJMESA-N 0 0 436.606 4.977 50 0 IJAARN COc1cccc(NC(=O)[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984877 557186197 /nfs/dbraw/zinc/18/61/97/557186197.db2.gz NAVMWSPOZJOVBZ-DFBJGRDBSA-N 0 0 426.520 4.912 50 0 IJAARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n32)c(C)c1 ZINC000024987741 557186817 /nfs/dbraw/zinc/18/68/17/557186817.db2.gz OXUPBSSUGJXQIR-MRXNPFEDSA-N 0 0 433.537 4.637 50 0 IJAARN CCc1nc(SCC(=O)N2CCc3sccc3C2)nc(N)c1-c1ccc(Cl)cc1 ZINC000024987774 557186847 /nfs/dbraw/zinc/18/68/47/557186847.db2.gz WOFLUSCUZSDUMW-UHFFFAOYSA-N 0 0 445.013 4.680 50 0 IJAARN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)c2ccc(Cl)cc2)n1C ZINC000009328169 557187009 /nfs/dbraw/zinc/18/70/09/557187009.db2.gz PQMGDMGTQSLPKO-UHFFFAOYSA-N 0 0 431.945 4.730 50 0 IJAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cs1)c1ccccc1F ZINC000098002332 557189210 /nfs/dbraw/zinc/18/92/10/557189210.db2.gz CHGHJQUTOXRHJF-LICLKQGHSA-N 0 0 441.871 4.965 50 0 IJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)CC1 ZINC000025056190 557192140 /nfs/dbraw/zinc/19/21/40/557192140.db2.gz SVGIMTXGSIZVEA-UHFFFAOYSA-N 0 0 427.526 4.886 50 0 IJAARN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000009615054 557192181 /nfs/dbraw/zinc/19/21/81/557192181.db2.gz TZLHCSKEGJVDQE-UHFFFAOYSA-N 0 0 446.960 4.584 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000025057398 557192424 /nfs/dbraw/zinc/19/24/24/557192424.db2.gz NEFVJENMJQTFIQ-PKTZIBPZSA-N 0 0 434.923 4.977 50 0 IJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000025061441 557193292 /nfs/dbraw/zinc/19/32/92/557193292.db2.gz LOZAMKCQIGNVFH-MGPQQGTHSA-N 0 0 426.007 4.525 50 0 IJAARN O=C1C[C@@H](Sc2n[nH]c(-c3ccccc3)n2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000096299645 557194785 /nfs/dbraw/zinc/19/47/85/557194785.db2.gz FFOQLSDMDKSOHE-HXUWFJFHSA-N 0 0 442.500 4.688 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C ZINC000011565957 557200687 /nfs/dbraw/zinc/20/06/87/557200687.db2.gz SGTFKQISIOKWFM-UHFFFAOYSA-N 0 0 445.322 4.579 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000025275283 557202158 /nfs/dbraw/zinc/20/21/58/557202158.db2.gz ZFKVNOMUOKJLBY-UHFFFAOYSA-N 0 0 436.493 4.696 50 0 IJAARN C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025356409 557205826 /nfs/dbraw/zinc/20/58/26/557205826.db2.gz KTUOLHGIWLZTFO-VLIAUNLRSA-N 0 0 432.948 4.886 50 0 IJAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc2)nc(C)n1 ZINC000011613280 557209211 /nfs/dbraw/zinc/20/92/11/557209211.db2.gz VMTBFPJBHZGONQ-UHFFFAOYSA-N 0 0 437.500 4.979 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)c1 ZINC000169698691 557210506 /nfs/dbraw/zinc/21/05/06/557210506.db2.gz XXQCUJZVTCHZED-VHSSKADRSA-N 0 0 426.900 4.527 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)o2)s1 ZINC000025459400 557211155 /nfs/dbraw/zinc/21/11/55/557211155.db2.gz OANOHHZXEMSXCW-LLVKDONJSA-N 0 0 432.596 4.820 50 0 IJAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)ccc1Br ZINC000169780415 557212228 /nfs/dbraw/zinc/21/22/28/557212228.db2.gz QXKNZQSDGUIDCV-HXUWFJFHSA-N 0 0 442.357 4.802 50 0 IJAARN Cc1cc(C)n(Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)cs3)o2)n1 ZINC000072243338 557213355 /nfs/dbraw/zinc/21/33/55/557213355.db2.gz DKYISYRTQWGJEZ-UHFFFAOYSA-N 0 0 426.929 4.848 50 0 IJAARN CCOc1ccc(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 ZINC000011649516 557219476 /nfs/dbraw/zinc/21/94/76/557219476.db2.gz KIEUBJWSDWWTNV-UHFFFAOYSA-N 0 0 434.492 4.536 50 0 IJAARN Cc1cc(-c2csc(NC(=O)CSCC(=O)Nc3ccccc3F)n2)c(C)s1 ZINC000010520615 557222256 /nfs/dbraw/zinc/22/22/56/557222256.db2.gz AWUFEOYZIAYVQY-UHFFFAOYSA-N 0 0 435.571 4.938 50 0 IJAARN COCCCn1c(C)cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1C ZINC000010799318 557224599 /nfs/dbraw/zinc/22/45/99/557224599.db2.gz NBBIDDHWVPBABQ-UHFFFAOYSA-N 0 0 433.504 4.805 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)n[nH]1 ZINC000011657860 557227290 /nfs/dbraw/zinc/22/72/90/557227290.db2.gz HXQBYTJRWIROKB-QFIPXVFZSA-N 0 0 427.533 4.736 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000025901545 557229760 /nfs/dbraw/zinc/22/97/60/557229760.db2.gz JNHBEANJALOXAM-HYBUGGRVSA-N 0 0 448.563 4.914 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1)[C@H]1CCCO1 ZINC000025904538 557229909 /nfs/dbraw/zinc/22/99/09/557229909.db2.gz JPEJSBOJYBCZQL-GGAORHGYSA-N 0 0 432.545 4.654 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000011651578 557231297 /nfs/dbraw/zinc/23/12/97/557231297.db2.gz PKOSNFFDKZCZSV-UHFFFAOYSA-N 0 0 434.492 4.590 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nccn2-c2cccc(Cl)c2)cc1 ZINC000026047990 557232838 /nfs/dbraw/zinc/23/28/38/557232838.db2.gz CSIQRXRIJAYZLK-HNNXBMFYSA-N 0 0 427.957 4.568 50 0 IJAARN COc1ccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(OC)c1 ZINC000032950206 557234532 /nfs/dbraw/zinc/23/45/32/557234532.db2.gz GZGUARUPTKTJKT-UHFFFAOYSA-N 0 0 437.544 4.516 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1Cc2ccccc2O1 ZINC000026130176 557235764 /nfs/dbraw/zinc/23/57/64/557235764.db2.gz ILABQJDLNMZUSS-RTWAWAEBSA-N 0 0 437.421 4.791 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1Cc2ccccc2O1 ZINC000026130171 557235838 /nfs/dbraw/zinc/23/58/38/557235838.db2.gz ILABQJDLNMZUSS-LEWJYISDSA-N 0 0 437.421 4.791 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000026364913 557239757 /nfs/dbraw/zinc/23/97/57/557239757.db2.gz 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O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Br ZINC000012979144 557265659 /nfs/dbraw/zinc/26/56/59/557265659.db2.gz DZVOAARQMQAOJH-KRWDZBQOSA-N 0 0 426.332 4.718 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)no2)cc1 ZINC000027662607 557268842 /nfs/dbraw/zinc/26/88/42/557268842.db2.gz BXABKFWCWZRXID-UHFFFAOYSA-N 0 0 447.516 4.976 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c(C(=O)OCC)c1C ZINC000027664261 557270272 /nfs/dbraw/zinc/27/02/72/557270272.db2.gz HNSIAUAMHAFWNK-UHFFFAOYSA-N 0 0 442.493 4.626 50 0 IJAARN COc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)cc3)CC2=O)cc1Cl ZINC000101311878 557272125 /nfs/dbraw/zinc/27/21/25/557272125.db2.gz WQMNEIZJCJHBGE-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829745 557272417 /nfs/dbraw/zinc/27/24/17/557272417.db2.gz FCVDESNSYSMYTK-UHFFFAOYSA-N 0 0 426.513 4.783 50 0 IJAARN Cc1cc2oc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)cc(=O)c2cc1Cl ZINC000027794956 557274813 /nfs/dbraw/zinc/27/48/13/557274813.db2.gz MABTVPGYYDTIDZ-UHFFFAOYSA-N 0 0 435.867 4.936 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100838463 557276906 /nfs/dbraw/zinc/27/69/06/557276906.db2.gz ZOEXBLRRPBBELF-ZNZDAUKMSA-N 0 0 442.309 4.594 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NC3CCCCC3)=CSC2=N1 ZINC000101403551 557280400 /nfs/dbraw/zinc/28/04/00/557280400.db2.gz BREJUPNFEADNME-JOCHJYFZSA-N 0 0 439.581 4.664 50 0 IJAARN COc1ccc(-n2c(C(C)(C)C)cs/c2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000101709934 557295232 /nfs/dbraw/zinc/29/52/32/557295232.db2.gz FWSBBOKKLZMYQH-LCUIJRPUSA-N 0 0 448.592 4.875 50 0 IJAARN CCCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000014093133 557302111 /nfs/dbraw/zinc/30/21/11/557302111.db2.gz FZSZDGROEHVULX-CVEARBPZSA-N 0 0 427.545 4.694 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)nn2c1=O ZINC000101861346 557303911 /nfs/dbraw/zinc/30/39/11/557303911.db2.gz 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COc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)c(C)c2)CC1=O ZINC000102530007 557341215 /nfs/dbraw/zinc/34/12/15/557341215.db2.gz ZNHKHPQHPINTLR-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN COc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O ZINC000102530534 557342539 /nfs/dbraw/zinc/34/25/39/557342539.db2.gz YIQGKTJAFXLHMJ-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(C)cc3)C(=O)C2)cc1 ZINC000102530885 557343086 /nfs/dbraw/zinc/34/30/86/557343086.db2.gz DYLDAOVZQOHNQY-UHFFFAOYSA-N 0 0 425.532 4.731 50 0 IJAARN COc1ccc(CCNC(=O)c2c(C)noc2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000023332965 557346641 /nfs/dbraw/zinc/34/66/41/557346641.db2.gz JTVXKXUYIVQDGK-UHFFFAOYSA-N 0 0 434.414 4.659 50 0 IJAARN CCCNC(=O)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000023335559 557348304 /nfs/dbraw/zinc/34/83/04/557348304.db2.gz TYQMMSIUFDXZTK-UHFFFAOYSA-N 0 0 442.485 4.720 50 0 IJAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 ZINC000023334578 557349487 /nfs/dbraw/zinc/34/94/87/557349487.db2.gz WFEHNEMQIJXELH-UHFFFAOYSA-N 0 0 445.563 4.535 50 0 IJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NC[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023452000 557358907 /nfs/dbraw/zinc/35/89/07/557358907.db2.gz JAXYUZPUZACKEI-QGZVFWFLSA-N 0 0 429.524 4.888 50 0 IJAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCc2cccs2)cc1 ZINC000023454336 557361861 /nfs/dbraw/zinc/36/18/61/557361861.db2.gz KXEIZZPVEZOSFV-UHFFFAOYSA-N 0 0 429.545 4.885 50 0 IJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000102663083 557361993 /nfs/dbraw/zinc/36/19/93/557361993.db2.gz MWQRUOLFFTVKCY-GMKZXUHWSA-N 0 0 430.479 4.802 50 0 IJAARN COc1cc(OC)c([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102704748 557366088 /nfs/dbraw/zinc/36/60/88/557366088.db2.gz HZJFKSPTKVQDIE-FYSMJZIKSA-N 0 0 446.507 4.678 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102709761 557367491 /nfs/dbraw/zinc/36/74/91/557367491.db2.gz HESACCWOPXDZNE-ISJGIBHGSA-N 0 0 436.467 4.597 50 0 IJAARN CCOC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccc(OC)cc4)cs3)=C2N)cc1 ZINC000102731262 557371525 /nfs/dbraw/zinc/37/15/25/557371525.db2.gz XPLZZYPOOHQQLX-UHFFFAOYSA-N 0 0 435.505 4.762 50 0 IJAARN Cc1csc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccc(F)cc2)n1 ZINC000011694458 557392448 /nfs/dbraw/zinc/39/24/48/557392448.db2.gz XPWDLMAUQPCGHZ-UHFFFAOYSA-N 0 0 426.448 4.747 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000033499656 557402425 /nfs/dbraw/zinc/40/24/25/557402425.db2.gz LPFJJVCYFDAOQH-UHFFFAOYSA-N 0 0 449.576 4.754 50 0 IJAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)n1 ZINC000033511730 557403649 /nfs/dbraw/zinc/40/36/49/557403649.db2.gz SJAPOSLFEOXHTQ-GOSISDBHSA-N 0 0 440.607 4.934 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3C)[C@@H](c3ccccc3)C2)cc1OC ZINC000408525642 557414107 /nfs/dbraw/zinc/41/41/07/557414107.db2.gz NASWNYJXJOPDDR-OAQYLSRUSA-N 0 0 436.533 4.552 50 0 IJAARN CCCC1=NS(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2N1Cc1ccc(F)cc1 ZINC000102966395 557414340 /nfs/dbraw/zinc/41/43/40/557414340.db2.gz OWSNSRSBOAWZMK-UHFFFAOYSA-N 0 0 443.544 4.862 50 0 IJAARN COc1ccc(CN(C(=O)/C=C/c2cc(Br)ccc2F)C2CC2)c(OC)c1 ZINC000025761376 557418926 /nfs/dbraw/zinc/41/89/26/557418926.db2.gz XKNAJLCXIKEXPS-ONNFQVAWSA-N 0 0 434.305 4.810 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C ZINC000018355549 557497702 /nfs/dbraw/zinc/49/77/02/557497702.db2.gz BOEXPSREIYYRKU-MRXNPFEDSA-N 0 0 438.528 4.711 50 0 IJAARN CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000036615258 557517324 /nfs/dbraw/zinc/51/73/24/557517324.db2.gz ADJPEEKTXBBHPO-UHFFFAOYSA-N 0 0 433.577 4.798 50 0 IJAARN O=C1c2ccccc2C(=CNc2ccc(Cl)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000003220666 557523516 /nfs/dbraw/zinc/52/35/16/557523516.db2.gz GYKMKUXBRHHWOZ-UDWIEESQSA-N 0 0 432.863 4.704 50 0 IJAARN CCOc1cc([C@@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000012063451 557525870 /nfs/dbraw/zinc/52/58/70/557525870.db2.gz UFBOQZJECCYPHF-XMMPIXPASA-N 0 0 445.475 4.533 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000106403762 557528815 /nfs/dbraw/zinc/52/88/15/557528815.db2.gz CKWZRIIVAWQGJX-IIKBXZHJSA-N 0 0 449.551 4.603 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000027146139 557530565 /nfs/dbraw/zinc/53/05/65/557530565.db2.gz UAOQGHWYTOODRG-XOJVXBCLSA-N 0 0 448.588 4.530 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000044920731 557540918 /nfs/dbraw/zinc/54/09/18/557540918.db2.gz VDJYKPOETKNDFI-KRWDZBQOSA-N 0 0 444.413 4.887 50 0 IJAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000045891693 557546182 /nfs/dbraw/zinc/54/61/82/557546182.db2.gz SBPNOBWGRHVBRF-UHFFFAOYSA-N 0 0 439.519 4.715 50 0 IJAARN Cn1c2cc(NC(=O)c3cccc(Cl)c3)c(SCc3ccco3)cc2n(C)c1=O ZINC000045940767 557549360 /nfs/dbraw/zinc/54/93/60/557549360.db2.gz BMCSEBGJUOBEMV-UHFFFAOYSA-N 0 0 427.913 4.668 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941983 557551495 /nfs/dbraw/zinc/55/14/95/557551495.db2.gz IYWSXWXYWDYPLA-QHCPKHFHSA-N 0 0 431.463 4.974 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 ZINC000045943224 557552338 /nfs/dbraw/zinc/55/23/38/557552338.db2.gz WKBCAYYHCDMLGE-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 ZINC000045971519 557555531 /nfs/dbraw/zinc/55/55/31/557555531.db2.gz ISTUJGCXCSLHDE-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)Nc5ccccc5F)n4ccn3n2)c1 ZINC000045971661 557555557 /nfs/dbraw/zinc/55/55/57/557555557.db2.gz JDWIASKVIMUPRD-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1n[nH]c(=O)c2cc(-c3cccs3)nn21 ZINC000045972133 557555823 /nfs/dbraw/zinc/55/58/23/557555823.db2.gz WFRKBZOGJJBGHC-UHFFFAOYSA-N 0 0 435.534 4.710 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000045962032 557556964 /nfs/dbraw/zinc/55/69/64/557556964.db2.gz VZTXRFWANUFDPY-UHFFFAOYSA-N 0 0 426.538 4.901 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1C ZINC000045961918 557556968 /nfs/dbraw/zinc/55/69/68/557556968.db2.gz YORBUTCTBQHKII-UHFFFAOYSA-N 0 0 434.517 4.823 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000039844651 557669530 /nfs/dbraw/zinc/66/95/30/557669530.db2.gz JOMLUOKHEGBSSE-UHFFFAOYSA-N 0 0 448.500 4.824 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)ccc2s1 ZINC000040082376 557693251 /nfs/dbraw/zinc/69/32/51/557693251.db2.gz GSHSQJXRXXCGAU-HXUWFJFHSA-N 0 0 434.517 4.981 50 0 IJAARN Cn1c(COC(=O)Cc2csc3ccc(Br)cc23)nnc1-c1ccccc1 ZINC000225467326 557726099 /nfs/dbraw/zinc/72/60/99/557726099.db2.gz OHZOIWXPUUELEX-UHFFFAOYSA-N 0 0 442.338 4.745 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000225506008 557731704 /nfs/dbraw/zinc/73/17/04/557731704.db2.gz ZFOJBYVOLWAQKO-OAHLLOKOSA-N 0 0 433.396 4.851 50 0 IJAARN CC(C)NC(=O)CSc1ccccc1C(=O)N(C)c1nc2cc(Cl)ccc2s1 ZINC000225509525 557732195 /nfs/dbraw/zinc/73/21/95/557732195.db2.gz HJBNBYYKRQVYAN-UHFFFAOYSA-N 0 0 433.986 4.843 50 0 IJAARN O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000040487527 557757311 /nfs/dbraw/zinc/75/73/11/557757311.db2.gz IVTPVLVQXKGBMG-NTKDMRAZSA-N 0 0 433.414 4.637 50 0 IJAARN COC(=O)NCCc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2ccccc2)s1 ZINC000225694078 557765152 /nfs/dbraw/zinc/76/51/52/557765152.db2.gz AGSCNCQRSKNJQO-KRWDZBQOSA-N 0 0 444.578 4.603 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cnc(C2OCCO2)s1 ZINC000225796358 557778543 /nfs/dbraw/zinc/77/85/43/557778543.db2.gz ODFGBSGBRWYKCN-UHFFFAOYSA-N 0 0 442.349 4.795 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000861934 557832451 /nfs/dbraw/zinc/83/24/51/557832451.db2.gz KSSCBRZSSZETCA-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1=O ZINC000014083569 557836793 /nfs/dbraw/zinc/83/67/93/557836793.db2.gz SGGLHCIGQDZJHU-MISYRCLQSA-N 0 0 433.577 4.612 50 0 IJAARN COc1ccc(-n2c(CNC(=O)C3CCCCC3)nnc2SCc2ccccc2)cc1 ZINC000014992796 557838180 /nfs/dbraw/zinc/83/81/80/557838180.db2.gz DTLMFCGQMUQXKV-UHFFFAOYSA-N 0 0 436.581 4.765 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000000890743 557859147 /nfs/dbraw/zinc/85/91/47/557859147.db2.gz HRARZYOEOUZUOG-UHFFFAOYSA-N 0 0 433.455 4.926 50 0 IJAARN Cc1ccc(-n2nnnc2S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000025061829 557862324 /nfs/dbraw/zinc/86/23/24/557862324.db2.gz JPGJSGQMZUSHRZ-GFCCVEGCSA-N 0 0 432.431 4.893 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000008869963 560211027 /nfs/dbraw/zinc/21/10/27/560211027.db2.gz WENLZCZPDOADNI-JLPGSUDCSA-N 0 0 427.504 4.508 50 0 biogenic,in-vitro IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000958825 562919815 /nfs/dbraw/zinc/91/98/15/562919815.db2.gz SEBGZWFSPQAELZ-HNNXBMFYSA-N 0 0 438.597 4.863 50 0 IJAARN Cc1ccc2sc(-c3ccc(NC(=O)CCN4C(=O)c5ccccc5C4=O)cc3)nc2c1 ZINC000000957864 562919827 /nfs/dbraw/zinc/91/98/27/562919827.db2.gz SCTQYUMOFGQOGK-UHFFFAOYSA-N 0 0 441.512 4.897 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000002616021 562928320 /nfs/dbraw/zinc/92/83/20/562928320.db2.gz LEDWIJIRDWRQIC-UHFFFAOYSA-N 0 0 446.334 4.634 50 0 IJAARN Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2s1 ZINC000002631105 562928824 /nfs/dbraw/zinc/92/88/24/562928824.db2.gz OANZRQRYEWNHJU-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691247 562929827 /nfs/dbraw/zinc/92/98/27/562929827.db2.gz DMTVJFWBEPTYBH-UHFFFAOYSA-N 0 0 445.490 5.000 50 0 IJAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1-c1ccccc1)NCc1ccco1 ZINC000002960383 562931178 /nfs/dbraw/zinc/93/11/78/562931178.db2.gz WQGKUNHYUDPQFM-UHFFFAOYSA-N 0 0 447.541 4.602 50 0 aggregator IJAARN COc1ccccc1OC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1 ZINC000002980189 562931446 /nfs/dbraw/zinc/93/14/46/562931446.db2.gz SIJCUJYJFMKWNG-OAQYLSRUSA-N 0 0 433.504 4.531 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000003022333 562931750 /nfs/dbraw/zinc/93/17/50/562931750.db2.gz IRCBCZWNDSWXMQ-UHFFFAOYSA-N 0 0 432.904 4.947 50 0 IJAARN CCN(C(=O)c1oc2ccc(S(=O)(=O)N3CCCCCC3)cc2c1C)c1ccccc1 ZINC000003047764 562932207 /nfs/dbraw/zinc/93/22/07/562932207.db2.gz RRPNXUKQJQMLPM-UHFFFAOYSA-N 0 0 440.565 4.973 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000003189754 562932679 /nfs/dbraw/zinc/93/26/79/562932679.db2.gz VZZWBMBAXOFQMQ-NRFANRHFSA-N 0 0 433.943 4.853 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000006156958 562946410 /nfs/dbraw/zinc/94/64/10/562946410.db2.gz IWFQVSUEYLVPCV-SFHVURJKSA-N 0 0 445.494 4.784 50 0 IJAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc(Br)cc2)on1 ZINC000006530912 562947174 /nfs/dbraw/zinc/94/71/74/562947174.db2.gz LHMDYSYBBGPQFG-UHFFFAOYSA-N 0 0 441.260 4.740 50 0 IJAARN COc1ccc(-c2nc(-c3cccc(OC)c3)[nH]c2SCC(=O)NCc2ccco2)cc1 ZINC000006577619 562947719 /nfs/dbraw/zinc/94/77/19/562947719.db2.gz NYLLJJJIWQOELJ-UHFFFAOYSA-N 0 0 449.532 4.762 50 0 IJAARN CC(C)N(C(=O)CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(C)C ZINC000006867478 562948460 /nfs/dbraw/zinc/94/84/60/562948460.db2.gz NWVCHXUSBNAHSP-UHFFFAOYSA-N 0 0 429.630 4.781 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCCc2ccc(C)cc2)c1C ZINC000008583649 562949787 /nfs/dbraw/zinc/94/97/87/562949787.db2.gz PMJXGSRAQAITGW-UHFFFAOYSA-N 0 0 436.527 4.837 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1c1ccccn1 ZINC000008584795 562950002 /nfs/dbraw/zinc/95/00/02/562950002.db2.gz RHXPANCWDHHDOO-IBGZPJMESA-N 0 0 433.261 4.700 50 0 IJAARN O=C(Cn1c2ccccc2nc1SCCOc1ccc(Cl)cc1)N1CCCCC1 ZINC000008586900 562950179 /nfs/dbraw/zinc/95/01/79/562950179.db2.gz DTASWRKPTLMEOX-UHFFFAOYSA-N 0 0 429.973 4.873 50 0 IJAARN COc1cc(OC)c(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)cc1Cl ZINC000008587633 562950405 /nfs/dbraw/zinc/95/04/05/562950405.db2.gz YFKMZHOVKOWDBW-UHFFFAOYSA-N 0 0 425.942 4.622 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)cc1 ZINC000008587706 562950409 /nfs/dbraw/zinc/95/04/09/562950409.db2.gz JDPVOFHAWXEUGM-UHFFFAOYSA-N 0 0 437.565 4.845 50 0 IJAARN COc1cccc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C(C)(C)C)C5)c(=O)oc21 ZINC000008588361 562950647 /nfs/dbraw/zinc/95/06/47/562950647.db2.gz FVFZVTRCAMTENA-ZDUSSCGKSA-N 0 0 436.533 4.918 50 0 IJAARN CCc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000008589979 562951406 /nfs/dbraw/zinc/95/14/06/562951406.db2.gz ZIJYOGLJCPFJBL-AREMUKBSSA-N 0 0 433.935 4.952 50 0 IJAARN CN(C)c1ccc(NC(=O)Cn2c(SCc3ccccc3F)nc3cccnc32)cc1 ZINC000008590193 562951482 /nfs/dbraw/zinc/95/14/82/562951482.db2.gz UMMPLPMFFWHAGT-UHFFFAOYSA-N 0 0 435.528 4.567 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)NCCCc1ccccc1 ZINC000008592558 562952354 /nfs/dbraw/zinc/95/23/54/562952354.db2.gz WCIANKWDHCYZRX-UHFFFAOYSA-N 0 0 449.913 4.605 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000008593004 562952506 /nfs/dbraw/zinc/95/25/06/562952506.db2.gz SWXOXRUMEOQCKR-UHFFFAOYSA-N 0 0 446.528 4.554 50 0 aggregator IJAARN COc1ccc([C@H](CC(=O)Nc2ccc(C(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000008593088 562952561 /nfs/dbraw/zinc/95/25/61/562952561.db2.gz PRZIIBXNUSCULT-DEOSSOPVSA-N 0 0 428.488 4.624 50 0 IJAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)C(C)(C)C)c2=O)CCCCC4)cc1C ZINC000008593378 562952708 /nfs/dbraw/zinc/95/27/08/562952708.db2.gz SCSVQVMZUDIOJL-UHFFFAOYSA-N 0 0 438.593 4.715 50 0 IJAARN COc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)cc1OC ZINC000008594708 562953082 /nfs/dbraw/zinc/95/30/82/562953082.db2.gz ODEGSKVLIIZEAP-UHFFFAOYSA-N 0 0 441.285 4.625 50 0 IJAARN CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1 ZINC000008594982 562953153 /nfs/dbraw/zinc/95/31/53/562953153.db2.gz GQJVMAALMMTUFF-HXUWFJFHSA-N 0 0 439.556 4.833 50 0 IJAARN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)Nc1ccc(Br)cc1F ZINC000008596714 562953819 /nfs/dbraw/zinc/95/38/19/562953819.db2.gz LCXNUPQXXZTSIF-UHFFFAOYSA-N 0 0 433.281 4.594 50 0 IJAARN CSc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(F)c2)cc1 ZINC000008598262 562954231 /nfs/dbraw/zinc/95/42/31/562954231.db2.gz YORQPQQVVVXLAJ-UHFFFAOYSA-N 0 0 434.540 4.871 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c1 ZINC000008599918 562954912 /nfs/dbraw/zinc/95/49/12/562954912.db2.gz XDIQVXZJOFFTHD-UHFFFAOYSA-N 0 0 430.508 4.789 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008601376 562955282 /nfs/dbraw/zinc/95/52/82/562955282.db2.gz UKJVKHSEYMKBSX-OAQYLSRUSA-N 0 0 429.513 4.661 50 0 IJAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000008602009 562955815 /nfs/dbraw/zinc/95/58/15/562955815.db2.gz XKDHYDJTMIQICS-UHFFFAOYSA-N 0 0 448.950 4.801 50 0 IJAARN O=C(Nc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1)c1ccc(F)cc1 ZINC000008603863 562956172 /nfs/dbraw/zinc/95/61/72/562956172.db2.gz WJVXNIUALVURMO-UHFFFAOYSA-N 0 0 449.507 4.605 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)c(OC)c1 ZINC000008603971 562956252 /nfs/dbraw/zinc/95/62/52/562956252.db2.gz IZLUKODHRYROMJ-UHFFFAOYSA-N 0 0 436.489 4.945 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000008607234 562957296 /nfs/dbraw/zinc/95/72/96/562957296.db2.gz ZJDFWGYOEZZXKU-NRFANRHFSA-N 0 0 449.580 4.889 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)s1 ZINC000008610557 562958229 /nfs/dbraw/zinc/95/82/29/562958229.db2.gz RACXKRBFEYUWHS-MRXNPFEDSA-N 0 0 429.977 4.763 50 0 IJAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000008612339 562959181 /nfs/dbraw/zinc/95/91/81/562959181.db2.gz YNEQGXWLMHMVCX-OAHLLOKOSA-N 0 0 444.329 4.704 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC ZINC000008612862 562959329 /nfs/dbraw/zinc/95/93/29/562959329.db2.gz OVLVHLDYFARLRV-UHFFFAOYSA-N 0 0 449.503 4.731 50 0 biogenic IJAARN COc1ccc(OC)c(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 ZINC000008613835 562959462 /nfs/dbraw/zinc/95/94/62/562959462.db2.gz FAWUGAPUANVCLW-UHFFFAOYSA-N 0 0 433.892 4.831 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 ZINC000008686291 562962701 /nfs/dbraw/zinc/96/27/01/562962701.db2.gz CZDKCJVTLXAERJ-KRWDZBQOSA-N 0 0 441.487 4.721 50 0 IJAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc2n1C ZINC000008690895 562963333 /nfs/dbraw/zinc/96/33/33/562963333.db2.gz ZGGJNHAEEIWHKY-UHFFFAOYSA-N 0 0 445.382 4.727 50 0 IJAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000009186757 562968047 /nfs/dbraw/zinc/96/80/47/562968047.db2.gz NREFQBVXBYJUDS-QHCPKHFHSA-N 0 0 428.561 4.593 50 0 IJAARN CCCN1C(=O)c2cc(C(=O)Nc3ccccc3OC)ccc2[C@@H]1Nc1ccccc1OC ZINC000009609094 562974113 /nfs/dbraw/zinc/97/41/13/562974113.db2.gz BGMDDNFUZPRYSV-XMMPIXPASA-N 0 0 445.519 4.933 50 0 IJAARN COc1cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc(OC)c1OC ZINC000013123673 562984730 /nfs/dbraw/zinc/98/47/30/562984730.db2.gz JIECBCGSINDONV-UHFFFAOYSA-N 0 0 434.448 4.787 50 0 IJAARN CC(C)COC[C@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982571 568622924 /nfs/dbraw/zinc/62/29/24/568622924.db2.gz FAJVOJRUVQYTGQ-FGZHOGPDSA-N 0 0 448.966 4.508 50 0 IJAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CCCC4)cc3)c(-c3ccc(F)cc3)c2C)o1 ZINC000025145765 568641239 /nfs/dbraw/zinc/64/12/39/568641239.db2.gz ZDZLQPGJBSQKFW-UHFFFAOYSA-N 0 0 431.471 4.581 50 0 IJAARN COc1cccc(C(=O)N(Cc2nc3nc(C)c(Cl)c(C)n3n2)c2ccc(C)cc2)c1 ZINC000086066548 568644401 /nfs/dbraw/zinc/64/44/01/568644401.db2.gz WKJXRQRFARYFKX-UHFFFAOYSA-N 0 0 435.915 4.559 50 0 IJAARN Cc1cccc(CNC(=O)c2nn(-c3ccccn3)c3nccc(-c4cccs4)c23)c1 ZINC000025160913 568645078 /nfs/dbraw/zinc/64/50/78/568645078.db2.gz ZOAMXTJBPPVBBT-UHFFFAOYSA-N 0 0 425.517 4.782 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000000954552 568646999 /nfs/dbraw/zinc/64/69/99/568646999.db2.gz YVLMJIKLDWTXBK-LLVKDONJSA-N 0 0 426.332 4.710 50 0 IJAARN Cc1ccccc1NC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959919 568646441 /nfs/dbraw/zinc/64/64/41/568646441.db2.gz QOXJMLCVXDBVOF-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCc2ccccc2C1 ZINC000000999565 568649609 /nfs/dbraw/zinc/64/96/09/568649609.db2.gz KSWNDYNTPAFSHT-CRAIPNDOSA-N 0 0 432.471 4.803 50 0 IJAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000000991559 568650254 /nfs/dbraw/zinc/65/02/54/568650254.db2.gz AKFJQPSKBOWCFB-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN O=C(CCCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000001054517 568653673 /nfs/dbraw/zinc/65/36/73/568653673.db2.gz KCRFTVSWYYUYLW-UHFFFAOYSA-N 0 0 440.135 4.959 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1CCCC2 ZINC000001057932 568654874 /nfs/dbraw/zinc/65/48/74/568654874.db2.gz IGKTUSKQPCAKQH-UHFFFAOYSA-N 0 0 440.443 4.557 50 0 IJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O ZINC000001051667 568654909 /nfs/dbraw/zinc/65/49/09/568654909.db2.gz DTYKIKJMXCRNRH-UHFFFAOYSA-N 0 0 425.469 4.863 50 0 IJAARN CCOc1ccc(NC(=O)c2cc(Br)ccc2I)cc1 ZINC000001084954 568657452 /nfs/dbraw/zinc/65/74/52/568657452.db2.gz CPJKSZHJFAMYOF-UHFFFAOYSA-N 0 0 446.082 4.705 50 0 IJAARN COc1c(Br)cc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)cc1Br ZINC000001106645 568659207 /nfs/dbraw/zinc/65/92/07/568659207.db2.gz OJMNHYPDBNHYCM-ZDUSSCGKSA-N 0 0 446.164 4.753 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000015203497 568732139 /nfs/dbraw/zinc/73/21/39/568732139.db2.gz DDZOBDIMNNLPLX-UHFFFAOYSA-N 0 0 429.567 4.734 50 0 IJAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)C(C)C)cc1 ZINC000001175473 568735514 /nfs/dbraw/zinc/73/55/14/568735514.db2.gz RVPZNZGEBWFUKF-HSZRJFAPSA-N 0 0 429.520 4.640 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)CC[C@@H]1c1ccccc1 ZINC000034733234 568737575 /nfs/dbraw/zinc/73/75/75/568737575.db2.gz AMWSRIQZQGOMBJ-WMZHIEFXSA-N 0 0 439.556 4.605 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000006015655 568740057 /nfs/dbraw/zinc/74/00/57/568740057.db2.gz WSDVBNRMLTTZOW-SBUREZEXSA-N 0 0 426.476 4.910 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C)cc2C)cc1 ZINC000006030340 568740408 /nfs/dbraw/zinc/74/04/08/568740408.db2.gz UPCXYALWBKCAOX-UHFFFAOYSA-N 0 0 428.598 4.646 50 0 IJAARN O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(OCc2ccccc2)cc1 ZINC000003219893 568743140 /nfs/dbraw/zinc/74/31/40/568743140.db2.gz LPUHAHZSQXWYQE-UHFFFAOYSA-N 0 0 441.277 4.773 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003272145 568744848 /nfs/dbraw/zinc/74/48/48/568744848.db2.gz IIJZMFQEPVMKIS-MRXNPFEDSA-N 0 0 431.521 4.789 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C[C@H]1CCCO1 ZINC000003355355 568746985 /nfs/dbraw/zinc/74/69/85/568746985.db2.gz SDZSWECAEBZFAW-GOSISDBHSA-N 0 0 442.610 4.723 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1C[C@@H]1CCCO1 ZINC000003362205 568747172 /nfs/dbraw/zinc/74/71/72/568747172.db2.gz XTAQGAVGZWSTFS-IBGZPJMESA-N 0 0 434.536 4.684 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000044087517 568747569 /nfs/dbraw/zinc/74/75/69/568747569.db2.gz YSNBCHNQFYPRHO-UHFFFAOYSA-N 0 0 427.957 4.916 50 0 IJAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000044166379 568749314 /nfs/dbraw/zinc/74/93/14/568749314.db2.gz ZFUNEERUNMYBKJ-UHFFFAOYSA-N 0 0 436.555 4.687 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1ccccc1Cl ZINC000003584685 568751326 /nfs/dbraw/zinc/75/13/26/568751326.db2.gz YDYHFKNPKLOHSZ-UHFFFAOYSA-N 0 0 434.245 4.521 50 0 IJAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl ZINC000003598398 568751407 /nfs/dbraw/zinc/75/14/07/568751407.db2.gz YNDXGVGVTQDVII-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN COc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1OC ZINC000003647631 568752671 /nfs/dbraw/zinc/75/26/71/568752671.db2.gz WKOVQJSNPUKNIL-UHFFFAOYSA-N 0 0 425.666 4.749 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000003671649 568754122 /nfs/dbraw/zinc/75/41/22/568754122.db2.gz MDUMRNZKZQPHNM-ZHZULCJRSA-N 0 0 431.419 4.788 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc3cccnc31)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585413 568759152 /nfs/dbraw/zinc/75/91/52/568759152.db2.gz IHWNONWYHAKRGW-QHCPKHFHSA-N 0 0 436.515 4.971 50 0 biogenic IJAARN Cc1ccccc1OCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001264376 568775369 /nfs/dbraw/zinc/77/53/69/568775369.db2.gz XHXIPSBDBSRGCM-UHFFFAOYSA-N 0 0 437.487 4.506 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)ccc1O ZINC000001279393 568775916 /nfs/dbraw/zinc/77/59/16/568775916.db2.gz RYAJLRGEXKQEIZ-NRFANRHFSA-N 0 0 448.862 4.614 50 0 IJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)c1 ZINC000263618737 568777627 /nfs/dbraw/zinc/77/76/27/568777627.db2.gz VGIQZMNMEGFZEM-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN COc1ccccc1-n1c2nnc(SCCC(C)C)n2c2sc3c(c2c1=O)CCC3 ZINC000001297763 568778774 /nfs/dbraw/zinc/77/87/74/568778774.db2.gz UNWBNDVFZWZHLD-UHFFFAOYSA-N 0 0 440.594 4.730 50 0 IJAARN COc1ccc(-c2cnc3nc(SCc4c(Cl)cccc4Cl)nn3c2N)cc1 ZINC000001384817 568784375 /nfs/dbraw/zinc/78/43/75/568784375.db2.gz QZJDMNUNQYKHJU-UHFFFAOYSA-N 0 0 432.336 4.981 50 0 IJAARN COc1ccc(-c2cc(CNS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)on2)cc1 ZINC000001398140 568785692 /nfs/dbraw/zinc/78/56/92/568785692.db2.gz CBYGLAFGQFUIKP-UHFFFAOYSA-N 0 0 447.727 4.789 50 0 IJAARN COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4cccc(OC(C)=O)c4)cs3)n2)cc1 ZINC000001405058 568786955 /nfs/dbraw/zinc/78/69/55/568786955.db2.gz RBSQTIDFMPUXKC-UHFFFAOYSA-N 0 0 448.504 4.555 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000025894132 568787835 /nfs/dbraw/zinc/78/78/35/568787835.db2.gz OULRTHJBNFRNBP-UONOGXRCSA-N 0 0 448.951 4.545 50 0 IJAARN COc1ccc(-n2c(CN[C@@H](c3c(C)nn(C)c3C)C(F)(F)F)nc3ccccc32)cc1 ZINC000084011942 568789851 /nfs/dbraw/zinc/78/98/51/568789851.db2.gz IXSHQNQEVWBOST-QFIPXVFZSA-N 0 0 443.473 4.778 50 0 IJAARN COc1ccc([C@H]2OC(=O)N(Cc3cccc(Cl)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001425595 568793790 /nfs/dbraw/zinc/79/37/90/568793790.db2.gz IDIIXCDNVWBCEH-VWNXMTODSA-N 0 0 439.895 4.896 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)ccc1OCc1ccccc1 ZINC000001427307 568794187 /nfs/dbraw/zinc/79/41/87/568794187.db2.gz CCBJTOGDQCHWMH-LJQANCHMSA-N 0 0 428.440 4.822 50 0 IJAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000084219640 568796265 /nfs/dbraw/zinc/79/62/65/568796265.db2.gz CEZRKIVEJQLNHF-XMMPIXPASA-N 0 0 447.579 4.607 50 0 IJAARN COc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3o2)c2cnn(C)c2)c(OC)c1 ZINC000084318579 568797026 /nfs/dbraw/zinc/79/70/26/568797026.db2.gz URJMFDRNUBMIGZ-UHFFFAOYSA-N 0 0 425.872 4.684 50 0 IJAARN O=C(c1cc2ccccc2oc1=O)N(Cc1ccccn1)c1ccc(Br)cc1 ZINC000084594772 568799053 /nfs/dbraw/zinc/79/90/53/568799053.db2.gz WFSCYQVOKADRRA-UHFFFAOYSA-N 0 0 435.277 4.798 50 0 IJAARN C[C@@H](Cc1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1)N(C)C(=O)OC(C)(C)C ZINC000084640979 568799533 /nfs/dbraw/zinc/79/95/33/568799533.db2.gz HFFAKRGMTZMSHQ-HNNXBMFYSA-N 0 0 435.952 4.617 50 0 IJAARN C[C@H](Cc1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1)N(C)C(=O)OC(C)(C)C ZINC000084640981 568799582 /nfs/dbraw/zinc/79/95/82/568799582.db2.gz HFFAKRGMTZMSHQ-OAHLLOKOSA-N 0 0 435.952 4.617 50 0 IJAARN COc1cc(CN(C(=O)c2cccc(Br)c2)C2CC2)ccc1OC(F)F ZINC000015616277 568799868 /nfs/dbraw/zinc/79/98/68/568799868.db2.gz BLJXVOUJEPCHJR-UHFFFAOYSA-N 0 0 426.257 4.864 50 0 IJAARN C[C@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000084715221 568800159 /nfs/dbraw/zinc/80/01/59/568800159.db2.gz AALGJQUCTWRVDI-NRFANRHFSA-N 0 0 437.547 4.630 50 0 IJAARN CCOC(=O)c1cc(Cl)cc(Br)c1NC(=O)Cc1ccc(OCC)cc1 ZINC000084807988 568801692 /nfs/dbraw/zinc/80/16/92/568801692.db2.gz YQQLQUYLWAHBMA-UHFFFAOYSA-N 0 0 440.721 4.859 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(C1CCCCCC1)C2=O ZINC000015676344 568804192 /nfs/dbraw/zinc/80/41/92/568804192.db2.gz WZOUVKQPPTVWHS-AREMUKBSSA-N 0 0 442.648 4.957 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)NCc3cccc(Br)c3)c2-n2cccc2)cc1 ZINC000015681306 568806536 /nfs/dbraw/zinc/80/65/36/568806536.db2.gz RCWQHDAAHUKZST-UHFFFAOYSA-N 0 0 435.325 4.664 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(N2CCCC2=O)c2cc(C)ccc2n1C ZINC000015681836 568806829 /nfs/dbraw/zinc/80/68/29/568806829.db2.gz MSIQQJBWMOLTCV-UHFFFAOYSA-N 0 0 425.916 4.836 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1OC ZINC000015721258 568811867 /nfs/dbraw/zinc/81/18/67/568811867.db2.gz LHEJZDQALMDHET-NRFANRHFSA-N 0 0 434.467 4.569 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c(Cl)c1 ZINC000015729654 568813695 /nfs/dbraw/zinc/81/36/95/568813695.db2.gz PRUROSCMQWBISH-UHFFFAOYSA-N 0 0 447.988 4.854 50 0 IJAARN C[C@@H]1CSc2ccc(S(=O)(=O)N(Cc3cccs3)C3CCCC3)cc2NC1=O ZINC000015731128 568814688 /nfs/dbraw/zinc/81/46/88/568814688.db2.gz CBVGIGWPAOYVEQ-CQSZACIVSA-N 0 0 436.624 4.562 50 0 IJAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCc1ccc(Cl)cc1 ZINC000015732093 568814992 /nfs/dbraw/zinc/81/49/92/568814992.db2.gz MJOOWJGWZLWZDN-UHFFFAOYSA-N 0 0 433.895 4.795 50 0 IJAARN COc1c2c(cc([C@@H]3SC(C)=Nc4c3c(=O)[nH]n4C3CCCCCC3)c1OC)OCO2 ZINC000085411892 568818012 /nfs/dbraw/zinc/81/80/12/568818012.db2.gz UORPMEJPVYECHZ-FQEVSTJZSA-N 0 0 445.541 4.704 50 0 IJAARN CCCc1cc2c(cc1O[C@H](C)C(=O)OC)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001464194 568820055 /nfs/dbraw/zinc/82/00/55/568820055.db2.gz MTUWOGYJQIUGJS-OAHLLOKOSA-N 0 0 438.476 4.514 50 0 biogenic IJAARN CCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000001471173 568821683 /nfs/dbraw/zinc/82/16/83/568821683.db2.gz ZOYXISIRYJLHSP-MRXNPFEDSA-N 0 0 425.326 4.954 50 0 IJAARN CCc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc(Cl)cc4)nn32)cc1 ZINC000015776597 568823996 /nfs/dbraw/zinc/82/39/96/568823996.db2.gz KPVZGMNJNSORJM-UHFFFAOYSA-N 0 0 434.931 4.524 50 0 IJAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)ccc1F ZINC000015781299 568825740 /nfs/dbraw/zinc/82/57/40/568825740.db2.gz ULUXMDHGLIXGMG-IJBPVIJFSA-N 0 0 445.556 4.575 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000015781688 568825953 /nfs/dbraw/zinc/82/59/53/568825953.db2.gz WVMIARGLXFZMOL-NRFANRHFSA-N 0 0 440.540 4.795 50 0 IJAARN Cc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(Br)c4)n3n2)cc1 ZINC000085643225 568829388 /nfs/dbraw/zinc/82/93/88/568829388.db2.gz AGEXTFUBAZWQSU-UHFFFAOYSA-N 0 0 427.327 4.860 50 0 IJAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000015784944 568829764 /nfs/dbraw/zinc/82/97/64/568829764.db2.gz MIBYPOKVUXIWQM-UHFFFAOYSA-N 0 0 432.501 4.532 50 0 IJAARN CCOc1ccccc1CNC(=O)C[C@H]1COc2cc(C)ccc2N1Cc1ccccc1 ZINC000085648749 568830699 /nfs/dbraw/zinc/83/06/99/568830699.db2.gz SRAZBQSUZGGLCZ-QHCPKHFHSA-N 0 0 430.548 4.868 50 0 IJAARN COc1cc(NC(=O)C[C@@H]2COc3ccccc3N2Cc2ccccc2)cc(OC)c1OC ZINC000085648707 568830774 /nfs/dbraw/zinc/83/07/74/568830774.db2.gz RTTSXHQGIVIBDB-HXUWFJFHSA-N 0 0 448.519 4.509 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(C)o4)ccc3[nH]2)cc1 ZINC000085653721 568832241 /nfs/dbraw/zinc/83/22/41/568832241.db2.gz KHPORCHTPOMZJL-UHFFFAOYSA-N 0 0 430.508 4.528 50 0 IJAARN C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015796624 568838953 /nfs/dbraw/zinc/83/89/53/568838953.db2.gz ZTXLEZOICKETDZ-CQSZACIVSA-N 0 0 426.460 4.521 50 0 IJAARN O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000104916489 568839149 /nfs/dbraw/zinc/83/91/49/568839149.db2.gz BTUZABDNGLHCGQ-PZJWPPBQSA-N 0 0 449.904 4.505 50 0 IJAARN COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000015825635 568840499 /nfs/dbraw/zinc/84/04/99/568840499.db2.gz FHQQGFQFRCETEB-UHFFFAOYSA-N 0 0 437.443 4.569 50 0 IJAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004542343 568841802 /nfs/dbraw/zinc/84/18/02/568841802.db2.gz HSFZETCYHZCCHU-UHFFFAOYSA-N 0 0 449.738 4.726 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC(=S)N2CCCC2)cc1 ZINC000033814629 568842388 /nfs/dbraw/zinc/84/23/88/568842388.db2.gz UWZANWYHLVYGCG-SFHVURJKSA-N 0 0 445.635 4.548 50 0 IJAARN CCN(CC)C(=S)SCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000045067857 568843183 /nfs/dbraw/zinc/84/31/83/568843183.db2.gz UDCLQCNLGWSQMG-OAQYLSRUSA-N 0 0 441.622 4.733 50 0 IJAARN c1ccc([Si](c2ccccc2)(c2ccccc2)[C@H]2c3ccccc3O[C@H]3C=CC=C[C@@H]23)cc1 ZINC000253588840 568843962 /nfs/dbraw/zinc/84/39/62/568843962.db2.gz VPQHURQDZVTRFE-SXQNJKPJSA-N 0 0 442.634 4.983 50 0 IJAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc5ccc(=O)oc5c4)ccc3C(=O)O2)cc1 ZINC000015838288 568844269 /nfs/dbraw/zinc/84/42/69/568844269.db2.gz CNMRGLQGGWBOCS-QFIPXVFZSA-N 0 0 425.440 4.808 50 0 IJAARN CCN(CC)c1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000006150416 568846983 /nfs/dbraw/zinc/84/69/83/568846983.db2.gz VEAFPOOWBXEDBF-UHFFFAOYSA-N 0 0 431.540 4.815 50 0 IJAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2ccccc2C)cc1 ZINC000015860619 568847868 /nfs/dbraw/zinc/84/78/68/568847868.db2.gz NUXRFPPJWPTSJV-UHFFFAOYSA-N 0 0 444.560 4.956 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)CCc2ccc(OC)cc2)c1C ZINC000015862461 568848704 /nfs/dbraw/zinc/84/87/04/568848704.db2.gz MJMCLEAZKYGRCJ-UHFFFAOYSA-N 0 0 448.563 4.978 50 0 IJAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc(Cl)cc4)ccc3[nH]2)cc1 ZINC000015863805 568849504 /nfs/dbraw/zinc/84/95/04/568849504.db2.gz XHQWDPWONRIRKY-UHFFFAOYSA-N 0 0 432.911 4.696 50 0 IJAARN C[C@H](Cc1nnc(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)o1)c1ccccc1 ZINC000006176211 568851123 /nfs/dbraw/zinc/85/11/23/568851123.db2.gz NDSYCSPWOCJBRS-NXTQRVMMSA-N 0 0 425.598 4.841 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1 ZINC000015868645 568852241 /nfs/dbraw/zinc/85/22/41/568852241.db2.gz UVDPLHBEKIEPKV-SFHVURJKSA-N 0 0 437.584 4.672 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2c(c1)CCCC2 ZINC000015882234 568856806 /nfs/dbraw/zinc/85/68/06/568856806.db2.gz MUQMJTILDVOZJJ-UHFFFAOYSA-N 0 0 448.592 4.814 50 0 IJAARN CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2)cc1 ZINC000015906679 568858513 /nfs/dbraw/zinc/85/85/13/568858513.db2.gz MPMYSPXDJKWWMM-UHFFFAOYSA-N 0 0 426.516 4.927 50 0 IJAARN Cc1ccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F ZINC000012935768 568864969 /nfs/dbraw/zinc/86/49/69/568864969.db2.gz PUOOOMZNPLOGCR-UHFFFAOYSA-N 0 0 431.558 4.573 50 0 IJAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012939535 568868702 /nfs/dbraw/zinc/86/87/02/568868702.db2.gz QWSLATNYHWXSQL-UHFFFAOYSA-N 0 0 433.537 4.878 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1OC ZINC000016047472 568868846 /nfs/dbraw/zinc/86/88/46/568868846.db2.gz KJEKUSVZEPAQEM-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccn2)cc1 ZINC000006181803 568869565 /nfs/dbraw/zinc/86/95/65/568869565.db2.gz ABSRXIWOBZINAQ-VWLOTQADSA-N 0 0 442.544 4.717 50 0 IJAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccccc1Br ZINC000016085730 568870123 /nfs/dbraw/zinc/87/01/23/568870123.db2.gz GZVPSYYWVVWJEV-UHFFFAOYSA-N 0 0 447.397 4.704 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)s1 ZINC000012946237 568871150 /nfs/dbraw/zinc/87/11/50/568871150.db2.gz CGJKEAGFFZHQPF-UHFFFAOYSA-N 0 0 425.529 4.514 50 0 IJAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@H]1CCCc2ccccc21 ZINC000026225354 568875710 /nfs/dbraw/zinc/87/57/10/568875710.db2.gz NQKYBVMOPXESCU-FQEVSTJZSA-N 0 0 438.622 4.893 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000647449 568880138 /nfs/dbraw/zinc/88/01/38/568880138.db2.gz FABGEGAGWQSJKM-LKTVYLICSA-N 0 0 445.283 4.834 50 0 IJAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000006214011 568880274 /nfs/dbraw/zinc/88/02/74/568880274.db2.gz TVTWBRYVIJDMDR-VCHYOVAHSA-N 0 0 446.359 4.707 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3OC)C2)c2ccccc12 ZINC000012998945 568887300 /nfs/dbraw/zinc/88/73/00/568887300.db2.gz AGEUDPKPFQRHAH-MOPGFXCFSA-N 0 0 446.547 4.587 50 0 IJAARN COc1ccc(CNC(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1OC ZINC000090593317 568888960 /nfs/dbraw/zinc/88/89/60/568888960.db2.gz SDSFZOOFXGYPSV-UHFFFAOYSA-N 0 0 431.945 4.789 50 0 IJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607584 568889871 /nfs/dbraw/zinc/88/98/71/568889871.db2.gz BJRIIZLGQPDDKD-UHFFFAOYSA-N 0 0 434.336 4.683 50 0 IJAARN c1coc(-c2nc3ccccc3c(SC[C@@H]3CSc4nnc(-c5cccnc5)n43)n2)c1 ZINC000012979514 568892066 /nfs/dbraw/zinc/89/20/66/568892066.db2.gz RXOWEWQPGDCEDQ-OAHLLOKOSA-N 0 0 444.545 4.982 50 0 IJAARN CC(C)COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1 ZINC000090610603 568892276 /nfs/dbraw/zinc/89/22/76/568892276.db2.gz PKMOIMDFFBRQKQ-UHFFFAOYSA-N 0 0 435.592 4.554 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000090610253 568892279 /nfs/dbraw/zinc/89/22/79/568892279.db2.gz IPBSACZEOYIMTA-UHFFFAOYSA-N 0 0 443.528 4.915 50 0 IJAARN CCOc1cc(/C=C/C(=O)OCC(=O)C(C)(C)C)ccc1OCCOc1ccc(F)cc1 ZINC000014135258 568892894 /nfs/dbraw/zinc/89/28/94/568892894.db2.gz LZFMEASKXBYGEM-NTUHNPAUSA-N 0 0 444.499 4.854 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006348617 568893258 /nfs/dbraw/zinc/89/32/58/568893258.db2.gz DSTDTEAZEXWDPB-HSZRJFAPSA-N 0 0 435.549 4.558 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(Br)cc1Cl ZINC000018202874 568894334 /nfs/dbraw/zinc/89/43/34/568894334.db2.gz BSPGGSUKLLYFEW-UHFFFAOYSA-N 0 0 448.748 4.600 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(C)=O)c1 ZINC000012981664 568894546 /nfs/dbraw/zinc/89/45/46/568894546.db2.gz FSZKFQVKQJAKRL-GOSISDBHSA-N 0 0 439.364 4.686 50 0 IJAARN O=C(COc1cccc(Br)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012987433 568895086 /nfs/dbraw/zinc/89/50/86/568895086.db2.gz PGZWNXBKAXTSAT-UHFFFAOYSA-N 0 0 431.355 4.844 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(NCc3ccco3)s2)cc1 ZINC000013001944 568898331 /nfs/dbraw/zinc/89/83/31/568898331.db2.gz GOUGJMPDDUALJL-ZDUSSCGKSA-N 0 0 430.555 4.845 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000013004262 568898361 /nfs/dbraw/zinc/89/83/61/568898361.db2.gz UCTVHZOVRHTPFD-UHFFFAOYSA-N 0 0 438.380 4.628 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc2ccccc2oc1=O ZINC000013003683 568898636 /nfs/dbraw/zinc/89/86/36/568898636.db2.gz HOLUFUJGQOMSNW-UHFFFAOYSA-N 0 0 433.291 4.591 50 0 IJAARN CN(Cc1ccsc1)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000013015486 568901489 /nfs/dbraw/zinc/90/14/89/568901489.db2.gz RTCVUQHHTQCXMI-UHFFFAOYSA-N 0 0 447.632 4.536 50 0 IJAARN CCc1ccc(NC(=O)N[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)[C@@H](C)CC)cc1 ZINC000035724486 568908392 /nfs/dbraw/zinc/90/83/92/568908392.db2.gz VLLLMVUOWGLMGF-KXBFYZLASA-N 0 0 437.569 4.942 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000239378411 568911369 /nfs/dbraw/zinc/91/13/69/568911369.db2.gz ORVFSAGTVMLGGL-OWCLPIDISA-N 0 0 427.595 4.662 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1 ZINC000035744791 568917987 /nfs/dbraw/zinc/91/79/87/568917987.db2.gz GCUMCWKTVREDEJ-UHFFFAOYSA-N 0 0 428.536 4.910 50 0 IJAARN CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@]12C ZINC000253497903 568920246 /nfs/dbraw/zinc/92/02/46/568920246.db2.gz NWOUTDZVRWQQMQ-PVLNOBGISA-N 0 0 446.584 4.949 50 0 IJAARN CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335233 568920550 /nfs/dbraw/zinc/92/05/50/568920550.db2.gz UYIBGGCMDOVCRF-INMHGKMJSA-N 0 0 444.767 4.737 50 0 IJAARN CN(c1ccc(NC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1F)C1CCCCC1 ZINC000089365335 568921225 /nfs/dbraw/zinc/92/12/25/568921225.db2.gz MHAQWTSAZVLDQD-KRWDZBQOSA-N 0 0 440.567 4.544 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(C)cc1 ZINC000001927970 568923463 /nfs/dbraw/zinc/92/34/63/568923463.db2.gz HMPPZUCTHSDZFE-UHFFFAOYSA-N 0 0 425.506 4.926 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn([C@H](C)C(=O)Nc3ccccc3)c(=O)c12 ZINC000001980426 568924162 /nfs/dbraw/zinc/92/41/62/568924162.db2.gz NCILXDBECKFPHW-MRXNPFEDSA-N 0 0 446.532 4.527 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N1CCCc2ccccc21 ZINC000001971043 568924273 /nfs/dbraw/zinc/92/42/73/568924273.db2.gz XXWYGUUVXCTWOQ-UHFFFAOYSA-N 0 0 435.936 4.758 50 0 IJAARN COc1ccc(CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1OC ZINC000016590777 568924655 /nfs/dbraw/zinc/92/46/55/568924655.db2.gz DMQHHRQOJACCBN-UHFFFAOYSA-N 0 0 449.576 4.918 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035866990 568929642 /nfs/dbraw/zinc/92/96/42/568929642.db2.gz FWRZUPSQLPVKBI-MRXNPFEDSA-N 0 0 429.634 4.715 50 0 IJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)c(F)c3)c2cc1OC ZINC000064474063 568930238 /nfs/dbraw/zinc/93/02/38/568930238.db2.gz LFTJXVXTPGFPAH-UHFFFAOYSA-N 0 0 427.451 4.900 50 0 IJAARN COc1ccccc1NC(=O)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064473269 568930358 /nfs/dbraw/zinc/93/03/58/568930358.db2.gz TWEIOYYBEFJWEI-UHFFFAOYSA-N 0 0 449.942 4.894 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000064473093 568930376 /nfs/dbraw/zinc/93/03/76/568930376.db2.gz RWACNNLIDVXYOD-UHFFFAOYSA-N 0 0 437.906 4.943 50 0 IJAARN Cc1c2ccccc2sc1C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000016659979 568931749 /nfs/dbraw/zinc/93/17/49/568931749.db2.gz HSGTYFMLWFZNJX-UHFFFAOYSA-N 0 0 439.508 4.627 50 0 IJAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@H](c2ccccc2)C1S(=O)(=O)c1ccccc1 ZINC000064558072 568931810 /nfs/dbraw/zinc/93/18/10/568931810.db2.gz AZTAYPXCODHRFD-HXUWFJFHSA-N 0 0 439.920 4.667 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)cc1C ZINC000064565853 568932716 /nfs/dbraw/zinc/93/27/16/568932716.db2.gz NZUAAZLZIDKJOJ-UHFFFAOYSA-N 0 0 438.959 4.997 50 0 IJAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc3c(s2)CCCC3)c1C ZINC000006581934 568933950 /nfs/dbraw/zinc/93/39/50/568933950.db2.gz FOVULTQAHUCVMG-LJQANCHMSA-N 0 0 426.582 4.504 50 0 IJAARN CCn1c2cc(NC(=O)Nc3cccc(F)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591107 568935455 /nfs/dbraw/zinc/93/54/55/568935455.db2.gz UITRJDKVGWIWIF-UHFFFAOYSA-N 0 0 425.508 4.616 50 0 IJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4c5ccccc5C[C@@H]4C)c3)n2)cc1 ZINC000064610930 568940054 /nfs/dbraw/zinc/94/00/54/568940054.db2.gz VWNXNWKJYXBXDL-KRWDZBQOSA-N 0 0 431.517 4.852 50 0 IJAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991251 568941769 /nfs/dbraw/zinc/94/17/69/568941769.db2.gz KWNAYCFPKCAJOF-RUZDIDTESA-N 0 0 449.595 4.845 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000064656942 568942400 /nfs/dbraw/zinc/94/24/00/568942400.db2.gz ITHIZGBYSCFGLH-INIZCTEOSA-N 0 0 433.938 4.717 50 0 IJAARN Cc1c(S(=O)(=O)NCc2ccccc2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668103 568943014 /nfs/dbraw/zinc/94/30/14/568943014.db2.gz LPFICWRZOXGKGY-UHFFFAOYSA-N 0 0 437.590 4.911 50 0 IJAARN Cc1c(S(=O)(=O)NC2CCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000064668106 568943031 /nfs/dbraw/zinc/94/30/31/568943031.db2.gz IOFVAIDVNJDKBP-UHFFFAOYSA-N 0 0 436.002 4.998 50 0 IJAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668139 568943075 /nfs/dbraw/zinc/94/30/75/568943075.db2.gz AAMOKHUDYDQLJT-UHFFFAOYSA-N 0 0 433.574 4.684 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Br)c(C)n2C)sc1C ZINC000064668348 568943315 /nfs/dbraw/zinc/94/33/15/568943315.db2.gz ZWUNHBKOQQXSOZ-UHFFFAOYSA-N 0 0 440.388 4.637 50 0 IJAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n(C2CCCCC2)c1C ZINC000006647660 568943673 /nfs/dbraw/zinc/94/36/73/568943673.db2.gz ACGBIHMPKAUMLJ-HNNXBMFYSA-N 0 0 426.586 4.861 50 0 IJAARN COc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccc(F)cc2)cc1 ZINC000036064289 568944873 /nfs/dbraw/zinc/94/48/73/568944873.db2.gz BDUSJVBNWSIMIX-UHFFFAOYSA-N 0 0 449.482 4.548 50 0 IJAARN O=C(c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1)N1CCCCC1 ZINC000036068708 568945549 /nfs/dbraw/zinc/94/55/49/568945549.db2.gz WOWUNTMHOKLKLP-UHFFFAOYSA-N 0 0 425.479 4.781 50 0 IJAARN CC(C)CNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2)n1 ZINC000036072188 568945851 /nfs/dbraw/zinc/94/58/51/568945851.db2.gz MYLSNLLQZHSZGQ-UHFFFAOYSA-N 0 0 448.542 4.926 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073581 568946600 /nfs/dbraw/zinc/94/66/00/568946600.db2.gz DLWIZGRCPNFWCP-XUZZJYLKSA-N 0 0 447.579 4.964 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083685 568947373 /nfs/dbraw/zinc/94/73/73/568947373.db2.gz XNDNLGYUCFADTL-JOCHJYFZSA-N 0 0 442.943 4.858 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083688 568947426 /nfs/dbraw/zinc/94/74/26/568947426.db2.gz OYYOXNNFJCZFSB-NRFANRHFSA-N 0 0 428.916 4.549 50 0 IJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cccc(Br)c2)n1 ZINC000064747615 568950132 /nfs/dbraw/zinc/95/01/32/568950132.db2.gz ZYLMRBBWVFICKI-MRXNPFEDSA-N 0 0 443.301 4.877 50 0 IJAARN Cc1nc2cc(C(=O)NCc3ccccc3Cl)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748063 568950673 /nfs/dbraw/zinc/95/06/73/568950673.db2.gz AOJUTFZQCVZPBX-UHFFFAOYSA-N 0 0 446.938 4.957 50 0 IJAARN Cc1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748061 568950685 /nfs/dbraw/zinc/95/06/85/568950685.db2.gz UOWZTWCAGPKBAK-UHFFFAOYSA-N 0 0 426.520 4.612 50 0 IJAARN COc1ccc(OC[C@@H](O)CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)cc1 ZINC000036104206 568953022 /nfs/dbraw/zinc/95/30/22/568953022.db2.gz PCUFMSCBHJLUGQ-NRFANRHFSA-N 0 0 431.454 4.555 50 0 IJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(Br)cc3)s2)n1 ZINC000064769431 568953216 /nfs/dbraw/zinc/95/32/16/568953216.db2.gz IQBZXSSLEFEPSL-UHFFFAOYSA-N 0 0 443.413 4.675 50 0 IJAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115331 568955259 /nfs/dbraw/zinc/95/52/59/568955259.db2.gz PQXRZXIJHJVZPJ-UHFFFAOYSA-N 0 0 430.595 4.940 50 0 IJAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)NC(C)(C)C ZINC000036115260 568955285 /nfs/dbraw/zinc/95/52/85/568955285.db2.gz BDBYRODDCYICNA-UHFFFAOYSA-N 0 0 427.570 4.832 50 0 IJAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115921 568955440 /nfs/dbraw/zinc/95/54/40/568955440.db2.gz BDEYEFXRFYAIKV-HRAATJIYSA-N 0 0 449.016 4.801 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccccc2F)C2CC2)cs1 ZINC000036114978 568955443 /nfs/dbraw/zinc/95/54/43/568955443.db2.gz OFAOTTRQSCPOBJ-UHFFFAOYSA-N 0 0 442.512 4.683 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)[C@H](C)CC ZINC000036115721 568955560 /nfs/dbraw/zinc/95/55/60/568955560.db2.gz IDBXXTKZUHWYID-UZLBHIALSA-N 0 0 449.016 4.943 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000036119658 568956838 /nfs/dbraw/zinc/95/68/38/568956838.db2.gz YFIFWNLTSBUJTQ-JOCHJYFZSA-N 0 0 440.609 4.538 50 0 IJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)CC(C)C)C(C)C)cc1 ZINC000036119868 568957130 /nfs/dbraw/zinc/95/71/30/568957130.db2.gz VUZDEGZKJASPRD-QFIPXVFZSA-N 0 0 442.625 4.844 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)C ZINC000036121381 568957808 /nfs/dbraw/zinc/95/78/08/568957808.db2.gz YZVPQQSPNZCYEK-NRFANRHFSA-N 0 0 446.588 4.675 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)[C@@H](C)CC ZINC000036121937 568957966 /nfs/dbraw/zinc/95/79/66/568957966.db2.gz ACSBEALBSVZFMZ-AZUAARDMSA-N 0 0 428.598 4.598 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)[C@@H](C)CC ZINC000036121935 568957974 /nfs/dbraw/zinc/95/79/74/568957974.db2.gz ACSBEALBSVZFMZ-ICSRJNTNSA-N 0 0 428.598 4.598 50 0 IJAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C1CC1 ZINC000006709098 568958826 /nfs/dbraw/zinc/95/88/26/568958826.db2.gz OXARJRUDKDMKAS-QGZVFWFLSA-N 0 0 425.548 4.927 50 0 IJAARN Cc1cc(Nc2cccc(C(=O)Nc3ccccc3C)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791602 568959019 /nfs/dbraw/zinc/95/90/19/568959019.db2.gz BVQIZVBTVXAHNV-UHFFFAOYSA-N 0 0 435.491 4.799 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(SC)cc2)cc1 ZINC000064798993 568960543 /nfs/dbraw/zinc/96/05/43/568960543.db2.gz CXRGCQSRVNRRNK-QGZVFWFLSA-N 0 0 445.587 4.786 50 0 IJAARN CCc1ccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064800276 568961279 /nfs/dbraw/zinc/96/12/79/568961279.db2.gz WGBXLEHAPPLJIE-UHFFFAOYSA-N 0 0 430.556 4.754 50 0 IJAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006712714 568961446 /nfs/dbraw/zinc/96/14/46/568961446.db2.gz MWLASKXHPDAFAM-QGZVFWFLSA-N 0 0 425.548 4.927 50 0 IJAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006712716 568961503 /nfs/dbraw/zinc/96/15/03/568961503.db2.gz MWLASKXHPDAFAM-KRWDZBQOSA-N 0 0 425.548 4.927 50 0 IJAARN CC(C)(C)OC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145980 568962194 /nfs/dbraw/zinc/96/21/94/568962194.db2.gz YYKWXHIMKIRGAC-RTWAWAEBSA-N 0 0 448.966 4.650 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCS[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152363 568963498 /nfs/dbraw/zinc/96/34/98/568963498.db2.gz VQHBRHIAFLNTRN-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN CCc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815774 568963673 /nfs/dbraw/zinc/96/36/73/568963673.db2.gz VTCFIGUFLPYZBX-VWLOTQADSA-N 0 0 448.592 4.652 50 0 IJAARN O=C(C[S@](=O)Cc1csc(Br)c1)Nc1cccc(Cl)c1Cl ZINC000064830378 568967883 /nfs/dbraw/zinc/96/78/83/568967883.db2.gz RQWQAQHVQANZTM-NRFANRHFSA-N 0 0 427.172 4.705 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3cccc(F)c3)C2=O)c1 ZINC000036164472 568967952 /nfs/dbraw/zinc/96/79/52/568967952.db2.gz GWJOLPVGEDRHOU-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN O=C(c1cccc(F)c1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164302 568968045 /nfs/dbraw/zinc/96/80/45/568968045.db2.gz XRBZNSZZVXQHJM-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)cc1 ZINC000036164456 568968055 /nfs/dbraw/zinc/96/80/55/568968055.db2.gz YPMTXVYIXBKRDI-SANMLTNESA-N 0 0 428.557 4.892 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccc(C)cc2)C3=O)c1 ZINC000036164417 568968077 /nfs/dbraw/zinc/96/80/77/568968077.db2.gz LSHXQWADJQCPQB-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN O=C(C1CCCC1)N1CCS[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12 ZINC000036165449 568968343 /nfs/dbraw/zinc/96/83/43/568968343.db2.gz RQLWACUASILKQL-QHCPKHFHSA-N 0 0 444.959 4.944 50 0 IJAARN CCn1c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc2c1c1ccccc1oc2=O ZINC000064839115 568969606 /nfs/dbraw/zinc/96/96/06/568969606.db2.gz BGDJQLTZHNYOGO-UHFFFAOYSA-N 0 0 449.938 4.692 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000064847755 568971171 /nfs/dbraw/zinc/97/11/71/568971171.db2.gz OBVHZBPERQUZSV-QGZVFWFLSA-N 0 0 425.529 4.531 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064848090 568971329 /nfs/dbraw/zinc/97/13/29/568971329.db2.gz OYBVKMONDSKQBP-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN CC[C@@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036206230 568972698 /nfs/dbraw/zinc/97/26/98/568972698.db2.gz ZTFVBUWNSMKOLI-QGZVFWFLSA-N 0 0 434.005 4.924 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1C ZINC000064862203 568973918 /nfs/dbraw/zinc/97/39/18/568973918.db2.gz HIZCWNYOSYUVRR-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1 ZINC000064862221 568974077 /nfs/dbraw/zinc/97/40/77/568974077.db2.gz GWGGVBZMXDPLDZ-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3C)c2)c1C ZINC000064867185 568975000 /nfs/dbraw/zinc/97/50/00/568975000.db2.gz VCJSVQJBQGTHQX-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN Cc1cccc(-c2cc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)ncn2)c1 ZINC000064872729 568978124 /nfs/dbraw/zinc/97/81/24/568978124.db2.gz FQRXKFHRZLTIRK-UHFFFAOYSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4cccc(F)c4)cc3)n2)c1 ZINC000064873216 568978262 /nfs/dbraw/zinc/97/82/62/568978262.db2.gz QXHGMRUSLYYWLZ-UHFFFAOYSA-N 0 0 429.451 4.511 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)cc1NC(=O)c1ccco1 ZINC000064891089 568980939 /nfs/dbraw/zinc/98/09/39/568980939.db2.gz CGANJPMJLXUOGU-UHFFFAOYSA-N 0 0 443.463 4.781 50 0 IJAARN COc1ccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1OC ZINC000064890527 568981337 /nfs/dbraw/zinc/98/13/37/568981337.db2.gz XAWKSRWFOQIGEE-UHFFFAOYSA-N 0 0 432.480 4.554 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)cc1OCC ZINC000064891375 568981356 /nfs/dbraw/zinc/98/13/56/568981356.db2.gz MCIXSMNTJSSYNE-UHFFFAOYSA-N 0 0 434.496 4.959 50 0 IJAARN CCOc1ccc(Cc2nc(-c3ccc4c(c3)[nH]c(=O)n4C3CCCC3)no2)cc1OCC ZINC000064891381 568981529 /nfs/dbraw/zinc/98/15/29/568981529.db2.gz MOMKSTALRKECIX-UHFFFAOYSA-N 0 0 448.523 4.883 50 0 IJAARN COc1cccc(N([C@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246847 568982085 /nfs/dbraw/zinc/98/20/85/568982085.db2.gz BZYSWUDCTCMEEC-MRXNPFEDSA-N 0 0 445.512 4.808 50 0 IJAARN COc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000036248824 568983032 /nfs/dbraw/zinc/98/30/32/568983032.db2.gz HQAFLBXIJUKPAM-UHFFFAOYSA-N 0 0 449.887 4.612 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN([C@H](C(=O)NC[C@@H](C)CC)C3CCCC3)CC2)cc1 ZINC000036254442 568984766 /nfs/dbraw/zinc/98/47/66/568984766.db2.gz WWRHBDATEKPUEV-OFVILXPXSA-N 0 0 441.660 4.508 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000064929007 568987233 /nfs/dbraw/zinc/98/72/33/568987233.db2.gz SULWPOIQZIIJST-HSZRJFAPSA-N 0 0 444.579 4.774 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928948 568987249 /nfs/dbraw/zinc/98/72/49/568987249.db2.gz YJIKLLZQESVNLR-IBGZPJMESA-N 0 0 436.556 4.537 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930348 568988697 /nfs/dbraw/zinc/98/86/97/568988697.db2.gz NKAQVIBGSRCIFL-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930507 568988925 /nfs/dbraw/zinc/98/89/25/568988925.db2.gz ZYUFJVRFVUFHOZ-SFHVURJKSA-N 0 0 439.516 4.861 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930515 568988933 /nfs/dbraw/zinc/98/89/33/568988933.db2.gz OURJPYBYZIHZSC-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN Cc1c(F)cccc1NC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681196 568991310 /nfs/dbraw/zinc/99/13/10/568991310.db2.gz QDUISLZXCRFVLF-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1ccc(NCc2ccc3c(c2)OCO3)nn1 ZINC000064945166 568993389 /nfs/dbraw/zinc/99/33/89/568993389.db2.gz NMBXZTUQMDNQAC-UHFFFAOYSA-N 0 0 442.928 4.510 50 0 IJAARN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308590 568995615 /nfs/dbraw/zinc/99/56/15/568995615.db2.gz LDSOTLYOWRTZTJ-VWNXMTODSA-N 0 0 435.568 4.725 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(OC)c1 ZINC000036312397 568997499 /nfs/dbraw/zinc/99/74/99/568997499.db2.gz LHUMJZKOPHEALV-UHFFFAOYSA-N 0 0 449.551 4.629 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036313239 568998480 /nfs/dbraw/zinc/99/84/80/568998480.db2.gz KLPDMPWAASOYHV-QGZVFWFLSA-N 0 0 429.536 4.635 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036314250 568998921 /nfs/dbraw/zinc/99/89/21/568998921.db2.gz DBPWQIZTIHWNNI-LJQANCHMSA-N 0 0 425.573 4.804 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036314251 568998927 /nfs/dbraw/zinc/99/89/27/568998927.db2.gz DBPWQIZTIHWNNI-IBGZPJMESA-N 0 0 425.573 4.804 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315447 568999654 /nfs/dbraw/zinc/99/96/54/568999654.db2.gz DBCGMOUDSOAGRE-IBGZPJMESA-N 0 0 443.849 4.825 50 0 IJAARN Cc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)n1 ZINC000064960793 569000374 /nfs/dbraw/zinc/00/03/74/569000374.db2.gz HICQCXSKSKNNPJ-UHFFFAOYSA-N 0 0 425.554 4.737 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c(C)o1 ZINC000064967611 569001349 /nfs/dbraw/zinc/00/13/49/569001349.db2.gz JCHAVVXUAXGITO-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)c3ccc(Cl)cc3)cc2=O)s1 ZINC000064976868 569077282 /nfs/dbraw/zinc/07/72/82/569077282.db2.gz FPOWACBFQKCAQP-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN CN(C)c1cccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000064978114 569077671 /nfs/dbraw/zinc/07/76/71/569077671.db2.gz ZQIKLOZYIDCMBO-UHFFFAOYSA-N 0 0 433.939 4.539 50 0 IJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000064978163 569077682 /nfs/dbraw/zinc/07/76/82/569077682.db2.gz AKZYYAZFTMPOAF-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CCc3ccccc3C2)cc1 ZINC000036341216 569079201 /nfs/dbraw/zinc/07/92/01/569079201.db2.gz SAVKIFUNMQVHET-SANMLTNESA-N 0 0 443.522 4.570 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(C)CC1 ZINC000036341395 569079308 /nfs/dbraw/zinc/07/93/08/569079308.db2.gz CKLNOCXRVUUCTO-QFIPXVFZSA-N 0 0 425.960 4.758 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)C2=O)c1 ZINC000064989011 569082925 /nfs/dbraw/zinc/08/29/25/569082925.db2.gz LMEIQOPEVUMMIR-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)C2=O)c1 ZINC000064989038 569082942 /nfs/dbraw/zinc/08/29/42/569082942.db2.gz ZWJWGWGPVFYNRN-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)cc4Cl)CC3)C2=O)c1 ZINC000064989017 569082963 /nfs/dbraw/zinc/08/29/63/569082963.db2.gz NEWLAEOJEWQREQ-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000064989850 569083158 /nfs/dbraw/zinc/08/31/58/569083158.db2.gz ZGPFSNOHFPNUMW-IBGZPJMESA-N 0 0 428.532 4.536 50 0 biogenic IJAARN CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990493 569083380 /nfs/dbraw/zinc/08/33/80/569083380.db2.gz YLCKYQAXJMGSQM-QGZVFWFLSA-N 0 0 427.504 4.802 50 0 IJAARN O=C(NCc1nnc(C(=O)Nc2ccc(F)cc2)s1)Nc1cc(Cl)ccc1Cl ZINC000064991309 569083584 /nfs/dbraw/zinc/08/35/84/569083584.db2.gz OFPRETZVDJCUMN-UHFFFAOYSA-N 0 0 440.287 4.558 50 0 IJAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036354289 569084199 /nfs/dbraw/zinc/08/41/99/569084199.db2.gz XGNRSZOQIOAEPO-XMMPIXPASA-N 0 0 433.552 4.843 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 ZINC000036358744 569085184 /nfs/dbraw/zinc/08/51/84/569085184.db2.gz HOEIOCRAQHAPGT-SFHVURJKSA-N 0 0 446.898 4.722 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCC(C)CC4)s3)c2C)cc1 ZINC000064998668 569085351 /nfs/dbraw/zinc/08/53/51/569085351.db2.gz CWZWWJMOGXMLLL-UHFFFAOYSA-N 0 0 439.585 4.715 50 0 IJAARN COc1cccc(NC(=O)c2c3c(cn(-c4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000321 569085876 /nfs/dbraw/zinc/08/58/76/569085876.db2.gz REMSJNOXDAJDAN-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN CCc1ccccc1NC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000198 569085930 /nfs/dbraw/zinc/08/59/30/569085930.db2.gz SPHXKOYKDIIDDF-UHFFFAOYSA-N 0 0 432.495 4.946 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N3CCCc4ccccc43)c2C1 ZINC000065000596 569086078 /nfs/dbraw/zinc/08/60/78/569086078.db2.gz JVRUUOLKINFHRS-UHFFFAOYSA-N 0 0 426.516 4.586 50 0 IJAARN O=C(NC1CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000064999593 569086156 /nfs/dbraw/zinc/08/61/56/569086156.db2.gz HKDMVRLGORWXHM-UHFFFAOYSA-N 0 0 432.611 4.652 50 0 IJAARN CC(C)CCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005490 569087159 /nfs/dbraw/zinc/08/71/59/569087159.db2.gz CADAIGKKKKAZMS-UHFFFAOYSA-N 0 0 433.552 4.899 50 0 IJAARN O=C(CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)NCCCc1ccccc1 ZINC000065005843 569087280 /nfs/dbraw/zinc/08/72/80/569087280.db2.gz NFGHOYZEWZNFEV-UHFFFAOYSA-N 0 0 445.563 4.697 50 0 IJAARN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21 ZINC000065021318 569088788 /nfs/dbraw/zinc/08/87/88/569088788.db2.gz AKEWYRGVORLOAI-UHFFFAOYSA-N 0 0 438.471 4.540 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023538 569089344 /nfs/dbraw/zinc/08/93/44/569089344.db2.gz CAZHSMFURFSDAK-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN Cc1ccc(-c2noc3nc(C)nc(OCC(=O)NCc4ccccc4Cl)c32)cc1C ZINC000065024885 569089748 /nfs/dbraw/zinc/08/97/48/569089748.db2.gz QKXIOUHCYTWXRI-UHFFFAOYSA-N 0 0 436.899 4.559 50 0 IJAARN CCCOc1c2cc(NC(=O)NCc3cccc(OC)c3)ccc2sc1C(=O)OC ZINC000065022987 569089873 /nfs/dbraw/zinc/08/98/73/569089873.db2.gz HOISCAKVWPNYQN-UHFFFAOYSA-N 0 0 428.510 4.807 50 0 IJAARN CC[C@H](C)NC(=O)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027373 569090239 /nfs/dbraw/zinc/09/02/39/569090239.db2.gz SYIGOEJFVSLUIE-AWEZNQCLSA-N 0 0 427.888 4.688 50 0 IJAARN CCOc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCC3)n2)cc1 ZINC000065025035 569090412 /nfs/dbraw/zinc/09/04/12/569090412.db2.gz FUEZAHWPKOUSLY-UHFFFAOYSA-N 0 0 430.508 4.695 50 0 IJAARN O=C(CN1CCc2[nH]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc(Cl)c(F)c1 ZINC000065035012 569092493 /nfs/dbraw/zinc/09/24/93/569092493.db2.gz KKXSGLXUXPZDEW-UHFFFAOYSA-N 0 0 438.261 4.522 50 0 IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000065058955 569095444 /nfs/dbraw/zinc/09/54/44/569095444.db2.gz ROEHGRYBALVCDT-NRFANRHFSA-N 0 0 448.336 4.539 50 0 IJAARN COc1ccc([C@H](NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000036389540 569096538 /nfs/dbraw/zinc/09/65/38/569096538.db2.gz YOEKBHBRPRHEBT-CLJLJLNGSA-N 0 0 432.589 4.972 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062198 569097049 /nfs/dbraw/zinc/09/70/49/569097049.db2.gz CAGAVVPAUYQKDX-HNNXBMFYSA-N 0 0 441.018 4.694 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3Cn3ccnc3)c3c(C)noc3n2)s1 ZINC000036392526 569098243 /nfs/dbraw/zinc/09/82/43/569098243.db2.gz BIXNHCFDSMQDAJ-UHFFFAOYSA-N 0 0 443.532 4.743 50 0 IJAARN CC(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccs3)C2)cc1 ZINC000036393655 569098552 /nfs/dbraw/zinc/09/85/52/569098552.db2.gz KEHVETQBBOKBIE-NRFANRHFSA-N 0 0 439.562 4.555 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000065074970 569099282 /nfs/dbraw/zinc/09/92/82/569099282.db2.gz JVHJXGLHSHGGSF-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000065075066 569099405 /nfs/dbraw/zinc/09/94/05/569099405.db2.gz BXKMTMCGMHAPNL-SANMLTNESA-N 0 0 432.951 4.922 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075105 569099436 /nfs/dbraw/zinc/09/94/36/569099436.db2.gz CGBRJHBTADUIQT-SANMLTNESA-N 0 0 448.950 4.622 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000065074992 569099465 /nfs/dbraw/zinc/09/94/65/569099465.db2.gz IUZKWWROWCETSA-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN CSc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075054 569099469 /nfs/dbraw/zinc/09/94/69/569099469.db2.gz SNTVUTPWDAXIIY-SANMLTNESA-N 0 0 430.573 4.995 50 0 IJAARN COc1cc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc(OC)c1 ZINC000065079237 569100811 /nfs/dbraw/zinc/10/08/11/569100811.db2.gz VZJRZDPACXFTRS-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(Cl)c4)csc3n2)cc1OC ZINC000065079409 569100836 /nfs/dbraw/zinc/10/08/36/569100836.db2.gz GXWCMFGJUAZHOV-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)sc12 ZINC000065081272 569101452 /nfs/dbraw/zinc/10/14/52/569101452.db2.gz OMYBYYFLTIRCPG-MRXNPFEDSA-N 0 0 435.528 4.785 50 0 IJAARN CC1CCC(NC(=O)[C@H]2COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C2)CC1 ZINC000065082833 569102528 /nfs/dbraw/zinc/10/25/28/569102528.db2.gz IDSXXMVDQRXIOF-RVSXGSNBSA-N 0 0 426.944 4.838 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098126 569104481 /nfs/dbraw/zinc/10/44/81/569104481.db2.gz JGUUCGKTKHQFCT-UHFFFAOYSA-N 0 0 443.525 4.815 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000065111929 569107801 /nfs/dbraw/zinc/10/78/01/569107801.db2.gz RXHUXGAZCLXSCX-UHFFFAOYSA-N 0 0 425.554 4.566 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(Br)c1 ZINC000065136878 569110414 /nfs/dbraw/zinc/11/04/14/569110414.db2.gz IYSKLQNNZVBLIV-KRWDZBQOSA-N 0 0 444.373 4.790 50 0 IJAARN O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000065151377 569111783 /nfs/dbraw/zinc/11/17/83/569111783.db2.gz NTYDFSFXDQYONB-UHFFFAOYSA-N 0 0 430.883 4.870 50 0 IJAARN CCOc1ccc(-c2nc(CN3c4ccccc4[C@@](O)(c4ccccc4)C3=O)c(C)o2)cc1 ZINC000065155766 569111845 /nfs/dbraw/zinc/11/18/45/569111845.db2.gz GTWCCTQKGJZOIQ-MHZLTWQESA-N 0 0 440.499 4.831 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1 ZINC000065154049 569112227 /nfs/dbraw/zinc/11/22/27/569112227.db2.gz PLTLRYNEBOFMNT-UHFFFAOYSA-N 0 0 442.450 4.774 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1)N1CCCC1 ZINC000065179837 569113607 /nfs/dbraw/zinc/11/36/07/569113607.db2.gz MVGOWNSKFQYETC-UHFFFAOYSA-N 0 0 444.934 4.646 50 0 IJAARN CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 ZINC000065180277 569113766 /nfs/dbraw/zinc/11/37/66/569113766.db2.gz MJNDOXNBDLJNPH-UHFFFAOYSA-N 0 0 432.923 4.549 50 0 IJAARN O=C(CN1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1ccccc1C(F)(F)F ZINC000065184157 569114071 /nfs/dbraw/zinc/11/40/71/569114071.db2.gz RWZXMYQTTNAGNA-UHFFFAOYSA-N 0 0 448.420 4.713 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1)N1CCCC1 ZINC000065178755 569114487 /nfs/dbraw/zinc/11/44/87/569114487.db2.gz VFGGBSIQKDKFAE-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(CCc1ccccc1)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178591 569114539 /nfs/dbraw/zinc/11/45/39/569114539.db2.gz GFJRSJGAWPMCQQ-QHCPKHFHSA-N 0 0 434.580 4.563 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)cc1 ZINC000065201598 569116234 /nfs/dbraw/zinc/11/62/34/569116234.db2.gz QXPWNHZVAMYILP-HNNXBMFYSA-N 0 0 438.524 4.585 50 0 IJAARN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000065209575 569116452 /nfs/dbraw/zinc/11/64/52/569116452.db2.gz AIFQFVCGSWEYEL-SFHVURJKSA-N 0 0 430.430 4.598 50 0 IJAARN Cc1cccc(NC(=O)Cn2c(C)ncc(-c3nc(-c4ccccc4)cs3)c2=O)c1C ZINC000065232518 569119126 /nfs/dbraw/zinc/11/91/26/569119126.db2.gz ZKBZYWHQZJLKCK-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000065240960 569120891 /nfs/dbraw/zinc/12/08/91/569120891.db2.gz BNJKRWOTWFYVQL-UHFFFAOYSA-N 0 0 434.521 4.708 50 0 IJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@H](Cn1cccn1)C(C)(C)C ZINC000036616746 569122893 /nfs/dbraw/zinc/12/28/93/569122893.db2.gz UVYQBJCZEPPGLG-JOCHJYFZSA-N 0 0 444.583 4.776 50 0 IJAARN Cc1ccc(-c2nn(CC(=O)N(C)Cc3ccn(C)n3)c(-c3ccc(C)cc3)c2Cl)cc1 ZINC000036611591 569123596 /nfs/dbraw/zinc/12/35/96/569123596.db2.gz JUSXIDSLJFZGHF-UHFFFAOYSA-N 0 0 447.970 4.879 50 0 IJAARN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000013133800 569125539 /nfs/dbraw/zinc/12/55/39/569125539.db2.gz OHHMNBAZWJGCBC-LLVKDONJSA-N 0 0 429.717 4.709 50 0 IJAARN Cc1ccc(NC(=O)CCn2c3nn(CC(C)C)cc3c(C(F)(F)F)cc2=O)c(C)c1 ZINC000036621613 569126316 /nfs/dbraw/zinc/12/63/16/569126316.db2.gz HYTDSDZJJQSHAV-UHFFFAOYSA-N 0 0 434.462 4.518 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524731990 569126779 /nfs/dbraw/zinc/12/67/79/569126779.db2.gz SATGNERLOOPTKU-QHCPKHFHSA-N 0 0 429.520 4.593 50 0 biogenic IJAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)Nc2ccc(SC)cc2)C3)cc1OC ZINC000065270281 569128033 /nfs/dbraw/zinc/12/80/33/569128033.db2.gz UEHGPHXEUHERLI-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1Cl)OC2=O ZINC000036636119 569128243 /nfs/dbraw/zinc/12/82/43/569128243.db2.gz OXGQAQDAVHBZOQ-NRFANRHFSA-N 0 0 435.863 4.833 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)CCC4CCCC4)CC3)sc12 ZINC000065297040 569131717 /nfs/dbraw/zinc/13/17/17/569131717.db2.gz CBJHYWXWFMNFIZ-UHFFFAOYSA-N 0 0 437.613 4.718 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(F)c(Cl)c1)N2 ZINC000065298622 569132165 /nfs/dbraw/zinc/13/21/65/569132165.db2.gz LHWUDZUQOONMAK-IBGZPJMESA-N 0 0 445.922 4.657 50 0 biogenic IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)c4ccccc4F)CC3)sc12 ZINC000065299902 569132251 /nfs/dbraw/zinc/13/22/51/569132251.db2.gz VZQGZWGCUOPPDP-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)NC[C@H](C)c4ccccc4)sc32)cc1 ZINC000065306755 569133527 /nfs/dbraw/zinc/13/35/27/569133527.db2.gz RYFCJNVNWXSINE-INIZCTEOSA-N 0 0 434.565 4.695 50 0 IJAARN COc1ccc(OC)c(Nc2c(-c3ccc(Br)cc3)nc3cnccn32)c1 ZINC000065323322 569136875 /nfs/dbraw/zinc/13/68/75/569136875.db2.gz GFHFDHRKSLZRHR-UHFFFAOYSA-N 0 0 425.286 4.920 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000036802416 569137992 /nfs/dbraw/zinc/13/79/92/569137992.db2.gz VLDMGPQTQANIPE-SCTDSRPQSA-N 0 0 435.597 4.623 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1 ZINC000238923918 569138010 /nfs/dbraw/zinc/13/80/10/569138010.db2.gz QIBNWTPIJPLNAK-YTFSRNRJSA-N 0 0 447.000 4.949 50 0 IJAARN COCCCn1c(-c2c(C)oc3ccccc32)csc1=NS(=O)(=O)c1ccccc1 ZINC000238923658 569138017 /nfs/dbraw/zinc/13/80/17/569138017.db2.gz PFFZZBKMIUJENM-UHFFFAOYSA-N 0 0 442.562 4.597 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)ccc21 ZINC000065492516 569138784 /nfs/dbraw/zinc/13/87/84/569138784.db2.gz ZKBCHUKXVOLXJQ-UHFFFAOYSA-N 0 0 436.515 4.760 50 0 IJAARN CC[C@H](NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1ccc(Br)cc1 ZINC000037117666 569140172 /nfs/dbraw/zinc/14/01/72/569140172.db2.gz DZLJUNKISDORGX-LEWJYISDSA-N 0 0 427.342 4.981 50 0 IJAARN Cn1c(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)nc2cccc(Cl)c21 ZINC000170596835 569141950 /nfs/dbraw/zinc/14/19/50/569141950.db2.gz ASKFSGFETWEKPP-UHFFFAOYSA-N 0 0 446.938 4.871 50 0 IJAARN C[C@H]1S[C@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)NCc2ccc(F)cc2)C1=O ZINC000037264217 569144073 /nfs/dbraw/zinc/14/40/73/569144073.db2.gz WEAQMVGYKRJHQV-ZUOKHONESA-N 0 0 440.462 4.514 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(N3CCSCC3)c(Cl)c1)CC2 ZINC000170606289 569144122 /nfs/dbraw/zinc/14/41/22/569144122.db2.gz KOHIOWYSJIALPD-UHFFFAOYSA-N 0 0 447.988 4.501 50 0 IJAARN CN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000170609729 569144744 /nfs/dbraw/zinc/14/47/44/569144744.db2.gz JTNSKHAINFCOIW-RTBURBONSA-N 0 0 431.323 4.516 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000170609671 569144817 /nfs/dbraw/zinc/14/48/17/569144817.db2.gz KFFSCMFDNHWOML-TZIWHRDSSA-N 0 0 445.350 4.918 50 0 IJAARN CC1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000037277085 569145389 /nfs/dbraw/zinc/14/53/89/569145389.db2.gz ITNHRQKBYQWQDD-UHFFFAOYSA-N 0 0 439.987 4.611 50 0 IJAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000037277474 569145462 /nfs/dbraw/zinc/14/54/62/569145462.db2.gz VIIAYROQYGFSDR-UHFFFAOYSA-N 0 0 434.584 4.658 50 0 IJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cccc(OC)c4nc3Cl)C2)cc1OC ZINC000170614192 569146242 /nfs/dbraw/zinc/14/62/42/569146242.db2.gz WFCCZTMASXHIIH-SFHVURJKSA-N 0 0 439.899 4.612 50 0 IJAARN Cc1cc(C(=O)N2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)CC(C)C ZINC000170614479 569146414 /nfs/dbraw/zinc/14/64/14/569146414.db2.gz BMCWCKUJJLINHT-VWLOTQADSA-N 0 0 443.588 4.595 50 0 IJAARN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000170617452 569147355 /nfs/dbraw/zinc/14/73/55/569147355.db2.gz PVFLNNBPLSYOHU-UHFFFAOYSA-N 0 0 448.953 4.511 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c2cc1C(C)C ZINC000009884199 569150313 /nfs/dbraw/zinc/15/03/13/569150313.db2.gz WUAIDWSSOGEYOY-SANMLTNESA-N 0 0 430.504 4.508 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCCC2)[C@@H](c2ccc(S(C)(=O)=O)cc2)S1 ZINC000071285685 569150919 /nfs/dbraw/zinc/15/09/19/569150919.db2.gz JFXYWVNYFHCFPL-LJQANCHMSA-N 0 0 433.599 4.751 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)n1N ZINC000009955250 569151187 /nfs/dbraw/zinc/15/11/87/569151187.db2.gz WFKPMVMJOJFTHX-UHFFFAOYSA-N 0 0 447.589 4.849 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000010025401 569151555 /nfs/dbraw/zinc/15/15/55/569151555.db2.gz NFZJINTZQGTUEH-IBGZPJMESA-N 0 0 447.604 4.823 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000010036894 569151893 /nfs/dbraw/zinc/15/18/93/569151893.db2.gz KIPILLREEYSJOL-QFIPXVFZSA-N 0 0 434.952 4.919 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3OC)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060447 569152618 /nfs/dbraw/zinc/15/26/18/569152618.db2.gz KMIOXJIUOJPNRP-XZOQPEGZSA-N 0 0 440.503 4.677 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 ZINC000010217576 569153381 /nfs/dbraw/zinc/15/33/81/569153381.db2.gz SEWGMKYPQZKNGI-UHFFFAOYSA-N 0 0 437.546 4.764 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010218294 569153486 /nfs/dbraw/zinc/15/34/86/569153486.db2.gz VCQNVZJFLKNEMZ-UHFFFAOYSA-N 0 0 441.936 4.764 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)cc1=O ZINC000010255065 569153949 /nfs/dbraw/zinc/15/39/49/569153949.db2.gz OTUVBRSWCOMHGF-UHFFFAOYSA-N 0 0 432.904 4.580 50 0 IJAARN COc1cc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000010254553 569154172 /nfs/dbraw/zinc/15/41/72/569154172.db2.gz JFRZTERNEHCBHV-UHFFFAOYSA-N 0 0 432.904 4.619 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c2ccccc2)c1 ZINC000071821948 569154676 /nfs/dbraw/zinc/15/46/76/569154676.db2.gz CDIHSRHTPGZIAA-RPWUZVMVSA-N 0 0 446.478 4.859 50 0 IJAARN COc1ccc([C@@H]2SCCN2C(=O)c2ccc3c(c2)OCO3)cc1OCc1ccccc1 ZINC000033789209 569155379 /nfs/dbraw/zinc/15/53/79/569155379.db2.gz VNALRNHKXHDZBM-VWLOTQADSA-N 0 0 449.528 4.891 50 0 IJAARN O=C(CCCC(=O)Nc1ccccc1Br)Nc1ccccc1Br ZINC000013982132 569157424 /nfs/dbraw/zinc/15/74/24/569157424.db2.gz ITPCOPBPYRLSML-UHFFFAOYSA-N 0 0 440.135 4.959 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000014181137 569158027 /nfs/dbraw/zinc/15/80/27/569158027.db2.gz VTTZQHXRKYIUGP-UHFFFAOYSA-N 0 0 429.495 4.922 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c1 ZINC000014227593 569158208 /nfs/dbraw/zinc/15/82/08/569158208.db2.gz CBHSBNWVPKYVNR-UHFFFAOYSA-N 0 0 448.542 4.608 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000014255526 569158365 /nfs/dbraw/zinc/15/83/65/569158365.db2.gz UUVFNCCMSLAFLZ-UHFFFAOYSA-N 0 0 434.517 4.831 50 0 IJAARN O=c1c(Cl)c(NCC2(c3ccccc3)CCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000014303735 569158554 /nfs/dbraw/zinc/15/85/54/569158554.db2.gz GTAXEJZTOPFMCL-UHFFFAOYSA-N 0 0 434.849 4.834 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000014383675 569158804 /nfs/dbraw/zinc/15/88/04/569158804.db2.gz FTJUGAVINLRSKF-CQSZACIVSA-N 0 0 447.557 4.559 50 0 IJAARN Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)nc2n1 ZINC000014596105 569159388 /nfs/dbraw/zinc/15/93/88/569159388.db2.gz LYKQJGPKAPAFBB-UHFFFAOYSA-N 0 0 426.505 4.784 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)COc1ccccc1C ZINC000089696684 569161400 /nfs/dbraw/zinc/16/14/00/569161400.db2.gz NIEQGWTWPHUDAJ-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)Nc1ncc(C)cn1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000089702266 569161710 /nfs/dbraw/zinc/16/17/10/569161710.db2.gz SXOSAFYOVRVFHN-UHFFFAOYSA-N 0 0 448.910 4.580 50 0 IJAARN CC(C)CCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(F)cc2)no1 ZINC000016843559 569163684 /nfs/dbraw/zinc/16/36/84/569163684.db2.gz STOICPPAECIHML-UHFFFAOYSA-N 0 0 430.530 4.986 50 0 IJAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000089822976 569165249 /nfs/dbraw/zinc/16/52/49/569165249.db2.gz MOGMJMWHFQDEFQ-UHFFFAOYSA-N 0 0 449.938 4.529 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000089830459 569165583 /nfs/dbraw/zinc/16/55/83/569165583.db2.gz NHOCADCXWURMPC-JOCHJYFZSA-N 0 0 433.577 4.952 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891296 569165671 /nfs/dbraw/zinc/16/56/71/569165671.db2.gz BCFJHHKVTVDGLP-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN FC(F)(F)c1cc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)nc(-c2cccnc2)n1 ZINC000089851319 569166210 /nfs/dbraw/zinc/16/62/10/569166210.db2.gz XOQLJCBHGOGAOL-INIZCTEOSA-N 0 0 437.429 4.684 50 0 IJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000017013272 569170860 /nfs/dbraw/zinc/17/08/60/569170860.db2.gz FCXHAGJRQXKRGI-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1 ZINC000017026157 569170912 /nfs/dbraw/zinc/17/09/12/569170912.db2.gz POCRBJTVXSYXLV-UHFFFAOYSA-N 0 0 438.593 4.635 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)n2)c(C)c1 ZINC000017026030 569171098 /nfs/dbraw/zinc/17/10/98/569171098.db2.gz ORIPXDMAPUMCCO-UHFFFAOYSA-N 0 0 434.970 4.883 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000017052658 569171960 /nfs/dbraw/zinc/17/19/60/569171960.db2.gz DMAPTNILGQQJRM-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=S)Nc3ccccc3)cc2)s1 ZINC000017096650 569173153 /nfs/dbraw/zinc/17/31/53/569173153.db2.gz GYGZXLGECAQNNB-GFCCVEGCSA-N 0 0 429.596 4.775 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000017132121 569174350 /nfs/dbraw/zinc/17/43/50/569174350.db2.gz ILKFUUBZCBNWPF-UHFFFAOYSA-N 0 0 436.270 4.731 50 0 IJAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000017135520 569174375 /nfs/dbraw/zinc/17/43/75/569174375.db2.gz LDYATXCPQTYSQR-UHFFFAOYSA-N 0 0 426.607 4.827 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O)NCc1ccccc1 ZINC000000936980 569176339 /nfs/dbraw/zinc/17/63/39/569176339.db2.gz PMQKQNCVLKSHCG-UHFFFAOYSA-N 0 0 425.513 4.595 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002097014 569179321 /nfs/dbraw/zinc/17/93/21/569179321.db2.gz JKSMWEKWIWVMGX-XMMPIXPASA-N 0 0 441.483 4.604 50 0 biogenic IJAARN CC(C)CN1CC(=O)N2[C@H](c3cccc4ccccc43)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002102453 569179888 /nfs/dbraw/zinc/17/98/88/569179888.db2.gz XIEBXVRFXOBWTA-RPLLCQBOSA-N 0 0 437.543 4.662 50 0 biogenic IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccncc1 ZINC000000664297 569180366 /nfs/dbraw/zinc/18/03/66/569180366.db2.gz SZFHKQRLYTYDEN-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccncc2)cc1 ZINC000000907633 569180432 /nfs/dbraw/zinc/18/04/32/569180432.db2.gz BCJDLFAWECSIEO-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccncc2)cc1 ZINC000002389730 569180767 /nfs/dbraw/zinc/18/07/67/569180767.db2.gz MEHSXNNQKRCPFR-UHFFFAOYSA-N 0 0 433.512 4.816 50 0 IJAARN O=C(NC[C@@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000002119752 569182762 /nfs/dbraw/zinc/18/27/62/569182762.db2.gz IPSYELIPXCQDCR-HSZRJFAPSA-N 0 0 425.463 4.986 50 0 biogenic IJAARN CCOC(=O)c1sc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc1C ZINC000014866387 569182948 /nfs/dbraw/zinc/18/29/48/569182948.db2.gz RDFRBEUKPSLERM-UHFFFAOYSA-N 0 0 429.112 4.889 50 0 IJAARN CC(C)CC(=O)N(C)Cc1nn(-c2ccccc2)c2c1CN(Cc1cccc(F)c1)CC2 ZINC000037376627 569185490 /nfs/dbraw/zinc/18/54/90/569185490.db2.gz PKMVADRYUNPUAM-UHFFFAOYSA-N 0 0 434.559 4.574 50 0 IJAARN Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000170642714 569185640 /nfs/dbraw/zinc/18/56/40/569185640.db2.gz LSOYBZUYJLSSFV-UHFFFAOYSA-N 0 0 435.480 4.735 50 0 IJAARN Cc1cc(OC(=O)CCCCCNC(=O)OCc2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000002147246 569186975 /nfs/dbraw/zinc/18/69/75/569186975.db2.gz UOFOTZKKFUAGAY-UHFFFAOYSA-N 0 0 437.492 4.802 50 0 biogenic IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 ZINC000002149667 569187166 /nfs/dbraw/zinc/18/71/66/569187166.db2.gz UCOIVOZAVXMWFW-XMMPIXPASA-N 0 0 443.455 4.675 50 0 biogenic IJAARN Cc1c(C)c(=O)oc2cc(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12 ZINC000002149526 569187212 /nfs/dbraw/zinc/18/72/12/569187212.db2.gz NAKPIQDDIACSPY-UHFFFAOYSA-N 0 0 437.492 4.802 50 0 biogenic IJAARN Cc1c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002151750 569187312 /nfs/dbraw/zinc/18/73/12/569187312.db2.gz JVRXDPHAJRUZBH-UHFFFAOYSA-N 0 0 437.492 4.979 50 0 biogenic IJAARN Cc1nnc(SCC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)n1-c1ccc(C)cc1 ZINC000027267587 569188234 /nfs/dbraw/zinc/18/82/34/569188234.db2.gz SISUAAKMNMNIML-UHFFFAOYSA-N 0 0 437.569 4.600 50 0 IJAARN O=C(NCCc1ccccn1)[C@@H](c1ccccc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398248 569193849 /nfs/dbraw/zinc/19/38/49/569193849.db2.gz BBUHJGSBFKYREN-MUUNZHRXSA-N 0 0 446.554 4.970 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)C(C)C)nn32)cc1 ZINC000002209270 569194091 /nfs/dbraw/zinc/19/40/91/569194091.db2.gz JCCIPEXPRXLJRT-RTBURBONSA-N 0 0 425.920 4.681 50 0 IJAARN CC[C@@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000037426422 569195654 /nfs/dbraw/zinc/19/56/54/569195654.db2.gz KTJQTDSNMSTGTJ-QGZVFWFLSA-N 0 0 440.569 4.735 50 0 IJAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1cccc(Cl)c1)C(=O)C1CCC1 ZINC000037425991 569195673 /nfs/dbraw/zinc/19/56/73/569195673.db2.gz FOLKWDXKQJNPCL-JOCHJYFZSA-N 0 0 427.976 4.500 50 0 IJAARN Cc1cs/c(=N\C(=O)c2ccccc2Cl)n1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000037428164 569195966 /nfs/dbraw/zinc/19/59/66/569195966.db2.gz BCEOZDPUJPELOU-BZZOAKBMSA-N 0 0 439.968 4.537 50 0 IJAARN CC[C@H](C(=O)NCCOC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037439341 569196341 /nfs/dbraw/zinc/19/63/41/569196341.db2.gz KVJWXXVQIUFGEZ-OAQYLSRUSA-N 0 0 443.544 4.637 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)C(=O)C2CC2)c1 ZINC000037439665 569196459 /nfs/dbraw/zinc/19/64/59/569196459.db2.gz KSEAZNLZCYQKLT-SFHVURJKSA-N 0 0 433.335 4.934 50 0 IJAARN COCC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037440897 569196713 /nfs/dbraw/zinc/19/67/13/569196713.db2.gz LUJBEFFFVVCOHX-INIZCTEOSA-N 0 0 441.742 4.815 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000037443047 569197080 /nfs/dbraw/zinc/19/70/80/569197080.db2.gz PHUQMMYKGVGSGM-MIAKESKMSA-N 0 0 435.593 4.812 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(F)c2)C1 ZINC000037525960 569199106 /nfs/dbraw/zinc/19/91/06/569199106.db2.gz LLTNRDTXMIQSIL-QGZVFWFLSA-N 0 0 428.529 4.614 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000037543111 569199430 /nfs/dbraw/zinc/19/94/30/569199430.db2.gz WCXLLMPUMGOGQN-AWEZNQCLSA-N 0 0 437.334 4.562 50 0 IJAARN COc1ccc(Oc2c(CCC(=O)NCc3ccco3)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547032 569199867 /nfs/dbraw/zinc/19/98/67/569199867.db2.gz ZUCUQNJYAMSINZ-UHFFFAOYSA-N 0 0 449.482 4.963 50 0 IJAARN Cc1cccc(CNC(=O)[C@H]2CC[C@@H](c3ccccc3)N(C(=O)NCc3ccccc3)C2)c1 ZINC000037546506 569200112 /nfs/dbraw/zinc/20/01/12/569200112.db2.gz MBSMXRZHLJHIHX-UIOOFZCWSA-N 0 0 441.575 4.974 50 0 IJAARN COc1ccc(Oc2c(CCC(=O)N(C)C(C)C)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547356 569200118 /nfs/dbraw/zinc/20/01/18/569200118.db2.gz UMRSTRNNOZTOMV-UHFFFAOYSA-N 0 0 425.504 4.920 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(C)nc2C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037554374 569200283 /nfs/dbraw/zinc/20/02/83/569200283.db2.gz CHADGISCFQNZOY-UHFFFAOYSA-N 0 0 449.576 4.519 50 0 IJAARN Cc1ccccc1Cn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(C(C)C)cc1 ZINC000037559402 569200960 /nfs/dbraw/zinc/20/09/60/569200960.db2.gz FCCDAEZFNFYUOQ-UHFFFAOYSA-N 0 0 444.579 4.875 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(Br)cc1)c2=O ZINC000002213512 569202168 /nfs/dbraw/zinc/20/21/68/569202168.db2.gz MTXBSOOIYWXLRF-LBPRGKRZSA-N 0 0 433.254 4.678 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)N(CC)CC ZINC000037603143 569202627 /nfs/dbraw/zinc/20/26/27/569202627.db2.gz GDPKCYNXBRZPFH-IZZNHLLZSA-N 0 0 448.607 4.905 50 0 IJAARN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NCCC(C)C)ccc3CCN2C(=O)C2CC2)c1 ZINC000037604996 569202829 /nfs/dbraw/zinc/20/28/29/569202829.db2.gz QPHVUQMZCLNUSD-FNZWTVRRSA-N 0 0 448.607 4.809 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCOCC1)c2NC(=O)CCC1CCCCC1 ZINC000007780299 569202835 /nfs/dbraw/zinc/20/28/35/569202835.db2.gz XHFPGJOEPBDGGG-UHFFFAOYSA-N 0 0 429.586 4.685 50 0 IJAARN CC(=O)N1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000037614079 569203056 /nfs/dbraw/zinc/20/30/56/569203056.db2.gz LPICTNCFCNYBHW-WIYYLYMNSA-N 0 0 436.449 4.769 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)CCc1ccccc1 ZINC000037623623 569203242 /nfs/dbraw/zinc/20/32/42/569203242.db2.gz UDVQCLKAYUHARP-GOSISDBHSA-N 0 0 436.943 4.592 50 0 IJAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CCCC3 ZINC000002223800 569204792 /nfs/dbraw/zinc/20/47/92/569204792.db2.gz SMWTZQLYLQLKHN-UHFFFAOYSA-N 0 0 441.607 4.671 50 0 IJAARN COc1ccc(-c2sc(=NC(=O)c3cccnc3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000252668479 569209702 /nfs/dbraw/zinc/20/97/02/569209702.db2.gz FDVUCJUNRARXPP-UHFFFAOYSA-N 0 0 431.517 4.574 50 0 IJAARN Cc1ccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c(Br)c1 ZINC000252671668 569210022 /nfs/dbraw/zinc/21/00/22/569210022.db2.gz NXUMTYFIINESJP-UHFFFAOYSA-N 0 0 437.318 4.788 50 0 IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)nc1C ZINC000003643215 569211931 /nfs/dbraw/zinc/21/19/31/569211931.db2.gz WFQSUZFCOKWQRN-SFHVURJKSA-N 0 0 434.448 4.649 50 0 IJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)c1 ZINC000002235641 569212108 /nfs/dbraw/zinc/21/21/08/569212108.db2.gz LQUJQKUHKLDONL-KPKJPENVSA-N 0 0 431.945 4.614 50 0 IJAARN CSc1nc2sc3c(c2c(SCC(=O)NCCc2ccccc2)n1)CCCC3 ZINC000002238123 569212259 /nfs/dbraw/zinc/21/22/59/569212259.db2.gz OHLBSDNKCKBMRF-UHFFFAOYSA-N 0 0 429.636 4.743 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002693537 569212589 /nfs/dbraw/zinc/21/25/89/569212589.db2.gz CKLIMIKYQSFRMD-UHFFFAOYSA-N 0 0 431.513 4.924 50 0 IJAARN CCn1cc(S(=O)(=O)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000002722195 569212728 /nfs/dbraw/zinc/21/27/28/569212728.db2.gz PZVJAIVOMXTQBI-UHFFFAOYSA-N 0 0 444.862 4.746 50 0 IJAARN O=C(Cc1ccccc1)Nn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000002971513 569213036 /nfs/dbraw/zinc/21/30/36/569213036.db2.gz BRRWHDYLTBJXLC-UHFFFAOYSA-N 0 0 435.936 4.655 50 0 IJAARN COc1ccc(CCn2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002247191 569214567 /nfs/dbraw/zinc/21/45/67/569214567.db2.gz RFPYADVQARPFNX-UHFFFAOYSA-N 0 0 432.524 4.621 50 0 IJAARN Cc1nn2c(-c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nnc2c2ccccc12 ZINC000002263963 569216051 /nfs/dbraw/zinc/21/60/51/569216051.db2.gz NKBHHIPGOPXDDH-UHFFFAOYSA-N 0 0 449.923 4.707 50 0 IJAARN CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002254479 569216718 /nfs/dbraw/zinc/21/67/18/569216718.db2.gz CLENGINBORWBBE-CQSZACIVSA-N 0 0 449.001 4.755 50 0 IJAARN COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)cc1 ZINC000009940861 569216987 /nfs/dbraw/zinc/21/69/87/569216987.db2.gz GANCXEYVXKSWBS-UHFFFAOYSA-N 0 0 448.552 4.653 50 0 IJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1I ZINC000027521708 569218247 /nfs/dbraw/zinc/21/82/47/569218247.db2.gz UJJLINDPWPATBA-UHFFFAOYSA-N 0 0 427.241 4.775 50 0 IJAARN COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccccc2)cc1 ZINC000002280998 569263104 /nfs/dbraw/zinc/26/31/04/569263104.db2.gz KCVMWFQHOPKQFT-QHCPKHFHSA-N 0 0 428.492 4.548 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc(OC)c1O ZINC000253399983 569264776 /nfs/dbraw/zinc/26/47/76/569264776.db2.gz DNLCHNBAJUVYQQ-QGZVFWFLSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN CC(C)C(=O)N1CCC(C(=O)Nc2ccc3oc(SCc4ccccc4)nc3c2)CC1 ZINC000253421680 569266944 /nfs/dbraw/zinc/26/69/44/569266944.db2.gz AXXCIPPOOGYSSD-UHFFFAOYSA-N 0 0 437.565 4.953 50 0 IJAARN CCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002292354 569268238 /nfs/dbraw/zinc/26/82/38/569268238.db2.gz PPKJHFKLOQNTRI-UHFFFAOYSA-N 0 0 427.430 4.705 50 0 IJAARN CC(C)Cn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002298697 569268400 /nfs/dbraw/zinc/26/84/00/569268400.db2.gz CDFVBHZZWUJHKK-UHFFFAOYSA-N 0 0 442.606 4.940 50 0 IJAARN CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002301121 569271377 /nfs/dbraw/zinc/27/13/77/569271377.db2.gz DXWXVHLDJUODHA-OAHLLOKOSA-N 0 0 433.986 4.999 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000002307698 569272037 /nfs/dbraw/zinc/27/20/37/569272037.db2.gz CEBWRMOYPFXLKA-BOPFTXTBSA-N 0 0 442.700 4.941 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002310135 569272130 /nfs/dbraw/zinc/27/21/30/569272130.db2.gz ZWEXRVVWWQFTCG-MRXNPFEDSA-N 0 0 437.503 4.656 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000002313220 569273078 /nfs/dbraw/zinc/27/30/78/569273078.db2.gz TZSBNXHWSKDOHB-BOPFTXTBSA-N 0 0 442.700 4.941 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002336992 569274891 /nfs/dbraw/zinc/27/48/91/569274891.db2.gz BKSFOECYYFGFHG-XMMPIXPASA-N 0 0 425.484 4.980 50 0 IJAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002376278 569289427 /nfs/dbraw/zinc/28/94/27/569289427.db2.gz GSGBLZDQXFHGBU-MRXNPFEDSA-N 0 0 437.920 4.998 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1nncs1 ZINC000002410073 569300597 /nfs/dbraw/zinc/30/05/97/569300597.db2.gz NPOJVJXWIXFTBP-HNNXBMFYSA-N 0 0 430.272 4.701 50 0 IJAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002411736 569300956 /nfs/dbraw/zinc/30/09/56/569300956.db2.gz BXOBWURUZIAQKF-UHFFFAOYSA-N 0 0 426.517 4.719 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)cc2)cc1 ZINC000002414718 569301415 /nfs/dbraw/zinc/30/14/15/569301415.db2.gz ZBRJZYKCUWLONF-XMMPIXPASA-N 0 0 425.484 4.898 50 0 IJAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(NC(=O)C(C)C)nn21 ZINC000002418944 569301736 /nfs/dbraw/zinc/30/17/36/569301736.db2.gz WBWVYYMMZUBWRH-ZWKOTPCHSA-N 0 0 425.920 4.681 50 0 IJAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(NC(=O)C(C)C)nn21 ZINC000002418946 569301774 /nfs/dbraw/zinc/30/17/74/569301774.db2.gz WBWVYYMMZUBWRH-ROUUACIJSA-N 0 0 425.920 4.681 50 0 IJAARN Cc1cccc(-n2c(N)c(S(=O)(=O)c3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 ZINC000002424825 569302528 /nfs/dbraw/zinc/30/25/28/569302528.db2.gz OVOBFFOKWQVCIN-UHFFFAOYSA-N 0 0 442.544 4.914 50 0 IJAARN COc1cc2nc(SCc3ccc(Cl)c(Cl)c3)n3cc(O)nc3c2cc1OC ZINC000012951447 569305220 /nfs/dbraw/zinc/30/52/20/569305220.db2.gz DXNNBIHIWNWTHE-UHFFFAOYSA-N 0 0 436.320 4.534 50 0 IJAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002452643 569305287 /nfs/dbraw/zinc/30/52/87/569305287.db2.gz RGPCVDRAPNEGAZ-CQSZACIVSA-N 0 0 442.606 4.863 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1F ZINC000002453004 569305412 /nfs/dbraw/zinc/30/54/12/569305412.db2.gz GKSDKBSKJLRBDK-UHFFFAOYSA-N 0 0 427.892 4.647 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 ZINC000012992000 569305927 /nfs/dbraw/zinc/30/59/27/569305927.db2.gz GWDAHTZWKULRIH-UHFFFAOYSA-N 0 0 433.504 4.756 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3OC)C2)c2ccccc12 ZINC000012998941 569306230 /nfs/dbraw/zinc/30/62/30/569306230.db2.gz AGEUDPKPFQRHAH-RTBURBONSA-N 0 0 446.547 4.587 50 0 IJAARN Clc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c(Cl)c1 ZINC000013005924 569306324 /nfs/dbraw/zinc/30/63/24/569306324.db2.gz GPWAZVGXJNNYNU-UHFFFAOYSA-N 0 0 435.380 4.762 50 0 IJAARN CCN(CC(=O)Nc1cccc(Cl)c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000013038643 569307738 /nfs/dbraw/zinc/30/77/38/569307738.db2.gz NTNREEGXQYKILO-UHFFFAOYSA-N 0 0 427.854 4.566 50 0 IJAARN CCOC(=O)C1=C(NC(=O)COc2ccc3ccccc3c2)Nc2ccccc2N=C1CC ZINC000013038270 569307796 /nfs/dbraw/zinc/30/77/96/569307796.db2.gz RVOGELDKWYSNKJ-UHFFFAOYSA-N 0 0 443.503 4.718 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000013096447 569309593 /nfs/dbraw/zinc/30/95/93/569309593.db2.gz LGZJUABHDKVPLC-UTKZUKDTSA-N 0 0 444.597 4.928 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc4c(c3)OCO4)ccc21 ZINC000013098632 569309915 /nfs/dbraw/zinc/30/99/15/569309915.db2.gz AGMXLUVNTORTSB-OAHLLOKOSA-N 0 0 430.460 4.727 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1cccc(C)c1 ZINC000013141678 569311769 /nfs/dbraw/zinc/31/17/69/569311769.db2.gz WEDNBLANZWQTDF-UHFFFAOYSA-N 0 0 432.307 4.651 50 0 IJAARN CCCCCNC(=O)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000013355453 569313561 /nfs/dbraw/zinc/31/35/61/569313561.db2.gz SSHXZEXBXQGZMM-UHFFFAOYSA-N 0 0 436.577 4.752 50 0 IJAARN CN(C)c1ccc(C2=N[C@H](C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 ZINC000019227947 569316451 /nfs/dbraw/zinc/31/64/51/569316451.db2.gz FBOLJPGVZDVOQV-JTQLQIEISA-N 0 0 436.985 4.567 50 0 IJAARN COc1ccc2oc([C@H](C)NC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)c(C)c2c1 ZINC000078605405 569316642 /nfs/dbraw/zinc/31/66/42/569316642.db2.gz GOYXUYISJTYMJY-QKKBWIMNSA-N 0 0 430.451 4.872 50 0 IJAARN O=C(NCc1cn2cc(Br)ccc2n1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000078648454 569316740 /nfs/dbraw/zinc/31/67/40/569316740.db2.gz USYNCXNIDHWLLX-CABCVRRESA-N 0 0 438.247 4.536 50 0 IJAARN CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000078932132 569320229 /nfs/dbraw/zinc/32/02/29/569320229.db2.gz NXLCPBHBIMOYKG-UHFFFAOYSA-N 0 0 425.575 4.870 50 0 IJAARN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000078939313 569320366 /nfs/dbraw/zinc/32/03/66/569320366.db2.gz MDQNHNJCGXAWKP-YOEHRIQHSA-N 0 0 439.394 4.536 50 0 IJAARN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000078953737 569320444 /nfs/dbraw/zinc/32/04/44/569320444.db2.gz IVRLUMCWZBKENB-UHFFFAOYSA-N 0 0 447.520 4.799 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3C[C@@H](C)CN(C(C)=O)c4ccccc43)cs2)cc1 ZINC000078970448 569321010 /nfs/dbraw/zinc/32/10/10/569321010.db2.gz YUEFPNGIXYHHFU-MRXNPFEDSA-N 0 0 435.549 4.606 50 0 IJAARN O=C(Nc1ccc(SC2CCCC2)cc1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000078975188 569321141 /nfs/dbraw/zinc/32/11/41/569321141.db2.gz PZIVZGOYGWZDNQ-UHFFFAOYSA-N 0 0 435.544 4.663 50 0 IJAARN CCS[C@H]1CCCC[C@@H]1Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000079022005 569322459 /nfs/dbraw/zinc/32/24/59/569322459.db2.gz MVCQEDMQWARRNW-JSGCOSHPSA-N 0 0 432.899 4.776 50 0 IJAARN Cc1nn(C)c2sc(C(=O)N3c4ccccc4N(Cc4ccccc4)C(=O)C[C@H]3C)cc12 ZINC000079025281 569322766 /nfs/dbraw/zinc/32/27/66/569322766.db2.gz GUPDTRNFCVSBQY-MRXNPFEDSA-N 0 0 444.560 4.915 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)cc2)cc1 ZINC000079192209 569328037 /nfs/dbraw/zinc/32/80/37/569328037.db2.gz FQGFKWJTQCGTME-GOSISDBHSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079489157 569331278 /nfs/dbraw/zinc/33/12/78/569331278.db2.gz UHICJOFSJNVULT-CDXJDZJCSA-N 0 0 426.384 4.659 50 0 IJAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(c3ccc(C)cc3)[C@H](C)C2)n1 ZINC000020177320 569354563 /nfs/dbraw/zinc/35/45/63/569354563.db2.gz PTRIEZUNNAQTSD-OAQYLSRUSA-N 0 0 426.568 4.764 50 0 IJAARN CCC1=Nc2cc(C(=O)NCCCN3CCOCC3)ccc2Sc2ccc(Cl)cc21 ZINC000020178911 569354715 /nfs/dbraw/zinc/35/47/15/569354715.db2.gz CCSDCULPDTZYSL-UHFFFAOYSA-N 0 0 444.000 4.788 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21)N1CCCC1 ZINC000020181546 569355406 /nfs/dbraw/zinc/35/54/06/569355406.db2.gz YJGDLHAVVIWUHU-CPNJWEJPSA-N 0 0 432.467 4.808 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242755 569358332 /nfs/dbraw/zinc/35/83/32/569358332.db2.gz ABOJIZFHQHAQOD-MYGHRHJXSA-N 0 0 432.545 4.542 50 0 IJAARN C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288878 569359246 /nfs/dbraw/zinc/35/92/46/569359246.db2.gz DCVOMSOFFQCGOX-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288886 569359441 /nfs/dbraw/zinc/35/94/41/569359441.db2.gz LPVILOVMOHCBRE-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000020354884 569361141 /nfs/dbraw/zinc/36/11/41/569361141.db2.gz VYWLSYWYCQGTTA-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN CCN1CCC[C@@H]1C[NH2+]Cc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000020379512 569362565 /nfs/dbraw/zinc/36/25/65/569362565.db2.gz HYKSVLBMESNUFG-GOSISDBHSA-N 0 0 443.950 4.754 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)cc1 ZINC000020383690 569362721 /nfs/dbraw/zinc/36/27/21/569362721.db2.gz FCHXGLNEKDZZFS-UHFFFAOYSA-N 0 0 437.565 4.945 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)sc2c1 ZINC000020383389 569362732 /nfs/dbraw/zinc/36/27/32/569362732.db2.gz WQOGBIYTNMOGHQ-UHFFFAOYSA-N 0 0 448.592 4.752 50 0 IJAARN Cc1c(NC(=O)N[C@@H]2CCCc3ccccc32)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000020385546 569363015 /nfs/dbraw/zinc/36/30/15/569363015.db2.gz JDEHKERKCMBAEA-RDTXWAMCSA-N 0 0 436.581 4.938 50 0 IJAARN Cc1csc([C@](O)(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(F)(F)F)n1 ZINC000095390006 569363435 /nfs/dbraw/zinc/36/34/35/569363435.db2.gz QFYGRLZVZLCPPT-SCLBCKFNSA-N 0 0 441.500 4.565 50 0 IJAARN Cn1ccnc1CN1CCC(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)CC1 ZINC000095389752 569363456 /nfs/dbraw/zinc/36/34/56/569363456.db2.gz NMJKMEICGLTMQF-UHFFFAOYSA-N 0 0 437.975 4.536 50 0 IJAARN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C ZINC000095399519 569363685 /nfs/dbraw/zinc/36/36/85/569363685.db2.gz DLQCIRWWEBPJIP-DYVFJYSZSA-N 0 0 434.581 4.557 50 0 IJAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000095442248 569366676 /nfs/dbraw/zinc/36/66/76/569366676.db2.gz LEMADNIMVZBMMU-NRFANRHFSA-N 0 0 429.948 4.527 50 0 IJAARN CCC1(CO)CCN(C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)CC1 ZINC000095450933 569367741 /nfs/dbraw/zinc/36/77/41/569367741.db2.gz KAKCIQAIIBIULV-UHFFFAOYSA-N 0 0 431.989 4.733 50 0 IJAARN COCCn1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc2cc(Cl)ccc21 ZINC000095473746 569372483 /nfs/dbraw/zinc/37/24/83/569372483.db2.gz BWNWIQJWQAIEGA-UHFFFAOYSA-N 0 0 447.362 4.718 50 0 IJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)CSc1nc2ccccc2o1 ZINC000095482037 569374214 /nfs/dbraw/zinc/37/42/14/569374214.db2.gz VRPVLEOGTJZQLK-UHFFFAOYSA-N 0 0 449.454 4.967 50 0 IJAARN Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)C2)cc1 ZINC000095942609 569375576 /nfs/dbraw/zinc/37/55/76/569375576.db2.gz HLBZFDUYWIJEEF-QFIPXVFZSA-N 0 0 434.584 4.672 50 0 IJAARN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000095953835 569376835 /nfs/dbraw/zinc/37/68/35/569376835.db2.gz MJEZNMIOCCMIBI-NVXWUHKLSA-N 0 0 437.842 4.697 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000095993291 569378262 /nfs/dbraw/zinc/37/82/62/569378262.db2.gz ZWCFDTIUWGQDDU-NRFANRHFSA-N 0 0 441.535 4.774 50 0 IJAARN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cnn(-c2cccc(Cl)c2)c1 ZINC000096006642 569379521 /nfs/dbraw/zinc/37/95/21/569379521.db2.gz OEGIWDIUPRJLMQ-UHFFFAOYSA-N 0 0 431.805 4.983 50 0 IJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096114382 569382898 /nfs/dbraw/zinc/38/28/98/569382898.db2.gz ANXKEKJQJQPNQX-MRXNPFEDSA-N 0 0 442.423 4.638 50 0 biogenic IJAARN O=C(C1CC1)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)CCc1ccccc1 ZINC000096276077 569388543 /nfs/dbraw/zinc/38/85/43/569388543.db2.gz OKCHHPCOIKDMPN-UHFFFAOYSA-N 0 0 429.442 4.779 50 0 IJAARN O=C(CCc1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1 ZINC000096277905 569388861 /nfs/dbraw/zinc/38/88/61/569388861.db2.gz PAHNNAGFWBETOH-UHFFFAOYSA-N 0 0 447.535 4.802 50 0 IJAARN O=S(=O)(Oc1ccccc1-c1nc2ncccc2o1)c1ccccc1OC(F)(F)F ZINC000096279105 569389247 /nfs/dbraw/zinc/38/92/47/569389247.db2.gz YYRICDBMCNEOAT-UHFFFAOYSA-N 0 0 436.367 4.556 50 0 IJAARN COCCN(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccc(Cl)cc1 ZINC000096280224 569389563 /nfs/dbraw/zinc/38/95/63/569389563.db2.gz KMCGKSUTAMHORO-UHFFFAOYSA-N 0 0 446.956 4.673 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)CC(C)C)C2CC2)cc1 ZINC000096289463 569390673 /nfs/dbraw/zinc/39/06/73/569390673.db2.gz UCDLNBOOELVZIJ-UHFFFAOYSA-N 0 0 435.973 4.953 50 0 IJAARN COc1ccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)n2)cc1OC ZINC000096293248 569391433 /nfs/dbraw/zinc/39/14/33/569391433.db2.gz GLOIDNZBZBIVFE-HXUWFJFHSA-N 0 0 447.466 4.607 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000096293736 569391631 /nfs/dbraw/zinc/39/16/31/569391631.db2.gz WSTQBAFMCDLEBD-IBGZPJMESA-N 0 0 435.307 4.586 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1cccc(C)c1 ZINC000096316822 569392905 /nfs/dbraw/zinc/39/29/05/569392905.db2.gz MNXYJZGFDCUUGQ-UHFFFAOYSA-N 0 0 446.620 4.840 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000096317208 569393251 /nfs/dbraw/zinc/39/32/51/569393251.db2.gz VIQXKNVPGXNOQL-IBGZPJMESA-N 0 0 440.607 4.977 50 0 IJAARN COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)cc1 ZINC000096322702 569394764 /nfs/dbraw/zinc/39/47/64/569394764.db2.gz QRBFMYFJLNVCBT-UHFFFAOYSA-N 0 0 430.869 4.633 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(-c2nc(-c3ccccc3)no2)o1 ZINC000096322731 569394903 /nfs/dbraw/zinc/39/49/03/569394903.db2.gz KVOXUDXWZWPLKT-UHFFFAOYSA-N 0 0 430.869 4.633 50 0 IJAARN COc1cccc(CNC(=O)C[C@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)c1 ZINC000096323097 569395033 /nfs/dbraw/zinc/39/50/33/569395033.db2.gz WOMOXPXNBDHTFP-QFIPXVFZSA-N 0 0 434.511 4.617 50 0 IJAARN O=C(Nc1cc(F)ccc1F)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323792 569395499 /nfs/dbraw/zinc/39/54/99/569395499.db2.gz PYUAKEWZXHJRJB-UHFFFAOYSA-N 0 0 445.882 4.980 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCc2c(sc3nc(-c4ccccc4)nn32)C1 ZINC000096323897 569395621 /nfs/dbraw/zinc/39/56/21/569395621.db2.gz RJPOIAFPQDERMG-UHFFFAOYSA-N 0 0 427.892 4.841 50 0 IJAARN COc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1OC ZINC000096324299 569395867 /nfs/dbraw/zinc/39/58/67/569395867.db2.gz APUNQCGGYMTIHR-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C12CCCC2 ZINC000096343883 569396916 /nfs/dbraw/zinc/39/69/16/569396916.db2.gz MFBUWOJEGYIVTF-QHCPKHFHSA-N 0 0 430.552 4.532 50 0 IJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(Br)o2)no1 ZINC000096349726 569397323 /nfs/dbraw/zinc/39/73/23/569397323.db2.gz YQHQGWGJPIFPQC-UHFFFAOYSA-N 0 0 443.301 4.505 50 0 IJAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)cc1OC ZINC000096386584 569398667 /nfs/dbraw/zinc/39/86/67/569398667.db2.gz CAIDKCLTAWSAIS-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2c(C)oc3ccn(Cc4cccc(F)c4)c(=O)c32)cc1 ZINC000096396515 569399093 /nfs/dbraw/zinc/39/90/93/569399093.db2.gz ZGDFTJMOBKIECV-OAHLLOKOSA-N 0 0 434.467 4.590 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)N=C(SC)C(c1ccc(C)cc1)=N2 ZINC000096399264 569399866 /nfs/dbraw/zinc/39/98/66/569399866.db2.gz LYCAAXXCWZHPDR-UHFFFAOYSA-N 0 0 436.581 4.982 50 0 IJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n[nH]1 ZINC000096400269 569400337 /nfs/dbraw/zinc/40/03/37/569400337.db2.gz VNSMHDKGTHCACB-UHFFFAOYSA-N 0 0 434.496 4.638 50 0 IJAARN CC(C)(C)[C@@H](NC(=O)COc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000334162239 569402162 /nfs/dbraw/zinc/40/21/62/569402162.db2.gz LGLCTUGGGOZUCW-SFHVURJKSA-N 0 0 444.329 4.782 50 0 IJAARN Cc1noc([C@@H](Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c2ccccc2)n1 ZINC000097000573 569402755 /nfs/dbraw/zinc/40/27/55/569402755.db2.gz JGOYUJFVGBJSEB-AEFFLSMTSA-N 0 0 439.566 4.759 50 0 IJAARN Cc1noc([C@@H](Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c2ccccc2)n1 ZINC000097000562 569402779 /nfs/dbraw/zinc/40/27/79/569402779.db2.gz JGOYUJFVGBJSEB-WMZOPIPTSA-N 0 0 439.566 4.759 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3ccc(Cl)s3)C2)cc1 ZINC000097161328 569403268 /nfs/dbraw/zinc/40/32/68/569403268.db2.gz NQDHFYKCPZPNSV-HNNXBMFYSA-N 0 0 438.940 4.909 50 0 IJAARN COCCn1nc(C)c(NC(=O)N2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)c1C ZINC000097164757 569403388 /nfs/dbraw/zinc/40/33/88/569403388.db2.gz AOFDBZMCSFLIMU-HSZRJFAPSA-N 0 0 440.588 4.694 50 0 IJAARN CC(C)(C)SCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000002459049 569403515 /nfs/dbraw/zinc/40/35/15/569403515.db2.gz RMNBBQKTJZRLMC-QFIPXVFZSA-N 0 0 428.623 4.722 50 0 IJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Br)cc4C)sc3nc12 ZINC000002466935 569403854 /nfs/dbraw/zinc/40/38/54/569403854.db2.gz CPPDCDCJKWCCQM-UHFFFAOYSA-N 0 0 428.311 4.541 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000027991056 569405548 /nfs/dbraw/zinc/40/55/48/569405548.db2.gz ZQUBYJZIJXHRPD-UHFFFAOYSA-N 0 0 435.593 4.850 50 0 IJAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000027988939 569405608 /nfs/dbraw/zinc/40/56/08/569405608.db2.gz AJGPZJCIUUNAPD-FQEVSTJZSA-N 0 0 431.463 4.907 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)cc(OC)c1OC ZINC000225626396 569405957 /nfs/dbraw/zinc/40/59/57/569405957.db2.gz GAAUPNJSCKMDKW-ZHACJKMWSA-N 0 0 445.475 4.876 50 0 IJAARN CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCCc2c3cc(OC)ccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000299754363 569409075 /nfs/dbraw/zinc/40/90/75/569409075.db2.gz DBIUIUGXWXMGLB-VVHBXYOFSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)c1 ZINC000028313506 569409799 /nfs/dbraw/zinc/40/97/99/569409799.db2.gz RIMFPUPRJBCOLX-UHFFFAOYSA-N 0 0 440.569 4.802 50 0 IJAARN CSCC[C@H](C(=O)Oc1ccc2oc3ccccc3c2c1)N1C(=O)c2ccccc2C1=O ZINC000002617904 569410392 /nfs/dbraw/zinc/41/03/92/569410392.db2.gz MYJUETXCFGWJMY-HXUWFJFHSA-N 0 0 445.496 4.909 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(Cl)cc1Cl ZINC000002622497 569411188 /nfs/dbraw/zinc/41/11/88/569411188.db2.gz KWOXATKIKADSBL-UHFFFAOYSA-N 0 0 434.352 4.886 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)no1 ZINC000002625475 569411661 /nfs/dbraw/zinc/41/16/61/569411661.db2.gz SSNISUQFZMVVJB-UHFFFAOYSA-N 0 0 439.928 4.923 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002631748 569412426 /nfs/dbraw/zinc/41/24/26/569412426.db2.gz DCLYTYFYSMEWBP-SFHVURJKSA-N 0 0 440.499 4.945 50 0 IJAARN COc1ccccc1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002631476 569412473 /nfs/dbraw/zinc/41/24/73/569412473.db2.gz XSGSHPYHPZDAFR-UHFFFAOYSA-N 0 0 445.500 4.647 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(O)cc1O ZINC000002633628 569412657 /nfs/dbraw/zinc/41/26/57/569412657.db2.gz QAAVKXSIYVEKQK-UHFFFAOYSA-N 0 0 429.567 4.822 50 0 IJAARN O=C(OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C1(c2cccc(F)c2)CCCC1 ZINC000002634534 569412758 /nfs/dbraw/zinc/41/27/58/569412758.db2.gz DXFUAYHHPNNREA-UHFFFAOYSA-N 0 0 426.513 4.558 50 0 IJAARN O=C(CSC(=S)N1CCc2ccccc2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000215715775 569413530 /nfs/dbraw/zinc/41/35/30/569413530.db2.gz KZYYQJUCXMDBEP-UHFFFAOYSA-N 0 0 426.485 4.600 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3cc(C)n(C)c3C)nc3ccccc3c2=O)cc1 ZINC000002641412 569413766 /nfs/dbraw/zinc/41/37/66/569413766.db2.gz YIBFONHWNZOKQE-UHFFFAOYSA-N 0 0 447.560 4.715 50 0 IJAARN CCCc1ccc(C(=O)[C@@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002644424 569414072 /nfs/dbraw/zinc/41/40/72/569414072.db2.gz GOUXTCHTKMCSQL-LJQANCHMSA-N 0 0 426.516 4.706 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000002654525 569415249 /nfs/dbraw/zinc/41/52/49/569415249.db2.gz XYXZXWWGRLMSSX-UHFFFAOYSA-N 0 0 428.517 4.868 50 0 IJAARN O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 ZINC000002655426 569415380 /nfs/dbraw/zinc/41/53/80/569415380.db2.gz YEJGSZBIJPQDCF-UHFFFAOYSA-N 0 0 428.315 4.985 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000002658458 569415715 /nfs/dbraw/zinc/41/57/15/569415715.db2.gz ZMHZQZIZFGMUDJ-UHFFFAOYSA-N 0 0 444.409 4.984 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)n1Cc1ccco1 ZINC000002659026 569415744 /nfs/dbraw/zinc/41/57/44/569415744.db2.gz LUIGJULUBHPHTL-UHFFFAOYSA-N 0 0 431.275 4.532 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002687689 569416833 /nfs/dbraw/zinc/41/68/33/569416833.db2.gz DCWGLZQDEXOYEY-UHFFFAOYSA-N 0 0 445.446 4.547 50 0 IJAARN Clc1ncn(C23C[C@@H]4C[C@@H](CC(c5nnc(Cc6cccc(Cl)c6)o5)(C4)C2)C3)n1 ZINC000002803553 569422523 /nfs/dbraw/zinc/42/25/23/569422523.db2.gz ZWTDHRVEOBNZPD-XFKLWTPLSA-N 0 0 430.339 4.806 50 0 IJAARN FC(F)Oc1ccc(-c2nnc(-c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)o2)cc1 ZINC000002803542 569422546 /nfs/dbraw/zinc/42/25/46/569422546.db2.gz GGHYFLQNUMYCDD-UHFFFAOYSA-N 0 0 437.328 4.944 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910996 569424883 /nfs/dbraw/zinc/42/48/83/569424883.db2.gz KQXDMBDSSPEZTR-UHFFFAOYSA-N 0 0 425.460 4.654 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911115 569424885 /nfs/dbraw/zinc/42/48/85/569424885.db2.gz BMWXRYRGGXQEQM-UHFFFAOYSA-N 0 0 445.878 4.999 50 0 IJAARN CCOc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4F)c(=O)c3c2C)cc1 ZINC000002921676 569425389 /nfs/dbraw/zinc/42/53/89/569425389.db2.gz RPRWTACWUKZDDJ-UHFFFAOYSA-N 0 0 437.496 4.605 50 0 IJAARN O=c1cc(CSc2nc3ccccc3c(NCCc3ccccc3)n2)nc2ccccn12 ZINC000002941489 569426627 /nfs/dbraw/zinc/42/66/27/569426627.db2.gz KBSHMOIPVQELRV-UHFFFAOYSA-N 0 0 439.544 4.585 50 0 IJAARN CC[C@H](Sc1nc2ccccc2c(Nc2ccc(F)cc2)n1)C(=O)NCCCOC ZINC000002948856 569427112 /nfs/dbraw/zinc/42/71/12/569427112.db2.gz JXTAWCXSQYJVMR-IBGZPJMESA-N 0 0 428.533 4.536 50 0 IJAARN CC(C)[C@@H](NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000029404395 569430132 /nfs/dbraw/zinc/43/01/32/569430132.db2.gz KUAYHVPQNOUPIY-HXUWFJFHSA-N 0 0 430.961 4.643 50 0 IJAARN COCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000057293358 569430532 /nfs/dbraw/zinc/43/05/32/569430532.db2.gz OHMZCMCFJVAUHF-UHFFFAOYSA-N 0 0 448.548 4.699 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@H](c1nnnn1-c1cccc(C)c1)N1CCCCC1 ZINC000057301771 569430649 /nfs/dbraw/zinc/43/06/49/569430649.db2.gz WZXJOVMWSXKLNZ-LJQANCHMSA-N 0 0 432.355 4.861 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1 ZINC000057312338 569430740 /nfs/dbraw/zinc/43/07/40/569430740.db2.gz LMIIORUVYPIMPI-INIZCTEOSA-N 0 0 437.927 4.890 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000057417098 569434285 /nfs/dbraw/zinc/43/42/85/569434285.db2.gz YDQFJXSWECNBEP-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000003007782 569435192 /nfs/dbraw/zinc/43/51/92/569435192.db2.gz YLUGGUBBGSVPFQ-NVXWUHKLSA-N 0 0 432.923 4.888 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)c3ccccc3)c2)cc1 ZINC000003022531 569435989 /nfs/dbraw/zinc/43/59/89/569435989.db2.gz MALUAYQMALOBQP-UHFFFAOYSA-N 0 0 442.512 4.692 50 0 IJAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)c1C ZINC000003023148 569436082 /nfs/dbraw/zinc/43/60/82/569436082.db2.gz DJLGXUVQIXXFAO-UHFFFAOYSA-N 0 0 446.931 4.827 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003023585 569436094 /nfs/dbraw/zinc/43/60/94/569436094.db2.gz OUYHNCMTKHYCBP-UHFFFAOYSA-N 0 0 448.878 4.622 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F ZINC000003024302 569436158 /nfs/dbraw/zinc/43/61/58/569436158.db2.gz IORFFBAEUHZISE-UHFFFAOYSA-N 0 0 445.343 4.996 50 0 IJAARN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1F ZINC000003024484 569436167 /nfs/dbraw/zinc/43/61/67/569436167.db2.gz HPHZKYPEAOZQQQ-UHFFFAOYSA-N 0 0 446.931 4.772 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F ZINC000003024200 569436187 /nfs/dbraw/zinc/43/61/87/569436187.db2.gz WPDMUJMTIZBMAR-UHFFFAOYSA-N 0 0 445.343 4.950 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1cccc(Cl)c1 ZINC000057487531 569436788 /nfs/dbraw/zinc/43/67/88/569436788.db2.gz CCKXPHAFLMXKHZ-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)cc1C ZINC000057487708 569436856 /nfs/dbraw/zinc/43/68/56/569436856.db2.gz NOEKPNXMDOJXCD-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)C1CCCCC1 ZINC000057488093 569436884 /nfs/dbraw/zinc/43/68/84/569436884.db2.gz XWNKEGTXAPLVPE-UHFFFAOYSA-N 0 0 448.013 4.984 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1)C1CCCCC1 ZINC000057487959 569436895 /nfs/dbraw/zinc/43/68/95/569436895.db2.gz ALZZHILEUURONL-UHFFFAOYSA-N 0 0 448.013 4.984 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2cccc(F)c2)c1 ZINC000057488310 569436919 /nfs/dbraw/zinc/43/69/19/569436919.db2.gz QBCJGFIGLQJDFC-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)Nc1ccccc1F ZINC000057489305 569437060 /nfs/dbraw/zinc/43/70/60/569437060.db2.gz OTPHETHGNBWMSI-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 ZINC000057492164 569437428 /nfs/dbraw/zinc/43/74/28/569437428.db2.gz YLELTFSMZPBJSD-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000003031218 569437641 /nfs/dbraw/zinc/43/76/41/569437641.db2.gz MPZWZROLZKAGGC-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN CCc1cc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(-c2cccc(Cl)c2)n1 ZINC000057527828 569439174 /nfs/dbraw/zinc/43/91/74/569439174.db2.gz AWBGYMISKKKFRZ-UHFFFAOYSA-N 0 0 435.833 4.784 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cc(F)ccc1Cl ZINC000057528357 569439215 /nfs/dbraw/zinc/43/92/15/569439215.db2.gz VDJYSRHVCKPPNZ-UHFFFAOYSA-N 0 0 443.887 4.561 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003051671 569439250 /nfs/dbraw/zinc/43/92/50/569439250.db2.gz RNLLNRRVVLVDMN-UHFFFAOYSA-N 0 0 435.936 4.674 50 0 IJAARN C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000057713349 569441070 /nfs/dbraw/zinc/44/10/70/569441070.db2.gz IDTRETYEYJRGPY-AUUYWEPGSA-N 0 0 437.883 4.840 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nsc(SCC(=O)Nc2ccccc2C)n1 ZINC000003170593 569441188 /nfs/dbraw/zinc/44/11/88/569441188.db2.gz DHWDHBCIQZEZQM-UHFFFAOYSA-N 0 0 444.607 4.617 50 0 IJAARN O=C(CNc1ccccc1N1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000057752737 569441243 /nfs/dbraw/zinc/44/12/43/569441243.db2.gz JJDUMWFKQUCGBT-QFIPXVFZSA-N 0 0 435.568 4.614 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003219256 569441937 /nfs/dbraw/zinc/44/19/37/569441937.db2.gz IRMLKVVZDMARTK-UHFFFAOYSA-N 0 0 437.923 4.946 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3ccccc3c2=O)cc1 ZINC000003226986 569442204 /nfs/dbraw/zinc/44/22/04/569442204.db2.gz KGMVYMBVMBHVLJ-UHFFFAOYSA-N 0 0 445.544 4.688 50 0 IJAARN C[C@H](NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003244132 569442670 /nfs/dbraw/zinc/44/26/70/569442670.db2.gz SAMQZJQLMKZODM-HNNXBMFYSA-N 0 0 443.425 4.878 50 0 IJAARN O=C(Oc1cccc2ccccc21)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000003253731 569443036 /nfs/dbraw/zinc/44/30/36/569443036.db2.gz PCHMUFCWEXMIDG-UHFFFAOYSA-N 0 0 429.925 4.887 50 0 IJAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccc(Cl)cn1 ZINC000003253746 569443044 /nfs/dbraw/zinc/44/30/44/569443044.db2.gz MUOIEQZKRQBMRH-UHFFFAOYSA-N 0 0 429.910 4.869 50 0 IJAARN O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003256787 569443103 /nfs/dbraw/zinc/44/31/03/569443103.db2.gz VYNUKKKYQLAUJJ-UHFFFAOYSA-N 0 0 426.700 4.568 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(C)C ZINC000003299474 569444938 /nfs/dbraw/zinc/44/49/38/569444938.db2.gz BQTSJFITNAFZEH-UHFFFAOYSA-N 0 0 444.000 4.836 50 0 IJAARN O=C(OCc1ccc(Br)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000003303623 569445142 /nfs/dbraw/zinc/44/51/42/569445142.db2.gz SHBRJXKURRKQHR-WOJBJXKFSA-N 0 0 442.353 4.888 50 0 IJAARN CCOc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC)C(=O)O2)cc1OCC ZINC000003316628 569445745 /nfs/dbraw/zinc/44/57/45/569445745.db2.gz AKRIXJCJJHDJJJ-LFIBNONCSA-N 0 0 446.297 4.600 50 0 IJAARN CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc32)cc1 ZINC000003339780 569446793 /nfs/dbraw/zinc/44/67/93/569446793.db2.gz UDZNESSKUPJVRY-UHFFFAOYSA-N 0 0 426.472 4.965 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N[C@@H]4CCCC[C@H]4C)ccc3c2=O)cc1 ZINC000003361634 569447918 /nfs/dbraw/zinc/44/79/18/569447918.db2.gz IULGYIXLBBGZFD-OPAMFIHVSA-N 0 0 435.520 4.851 50 0 IJAARN Cc1ccc(C)c(C(=O)COC(=O)[C@@H](NC(=O)Cc2cccc3ccccc32)C(C)C)c1 ZINC000003361981 569447920 /nfs/dbraw/zinc/44/79/20/569447920.db2.gz DHMQSRFAPSJEII-SANMLTNESA-N 0 0 431.532 4.566 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000003361479 569447945 /nfs/dbraw/zinc/44/79/45/569447945.db2.gz LSRLAOMGKJXYOF-UHFFFAOYSA-N 0 0 438.887 4.951 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c(C)n1C[C@H]1CCCO1 ZINC000003365161 569448111 /nfs/dbraw/zinc/44/81/11/569448111.db2.gz SILZFHKOMBALDV-LJQANCHMSA-N 0 0 427.516 4.661 50 0 IJAARN CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000003373149 569448584 /nfs/dbraw/zinc/44/85/84/569448584.db2.gz CNNCLAKWMFJBHC-UHFFFAOYSA-N 0 0 433.451 4.730 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](C)N(C)Cc2cccc(F)c2)sc2c1CC[C@@H](C)C2 ZINC000003380360 569448780 /nfs/dbraw/zinc/44/87/80/569448780.db2.gz OYFUGLAAPPJEMK-CABCVRRESA-N 0 0 432.561 4.648 50 0 IJAARN COc1cc(Cl)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1OC ZINC000058155407 569448944 /nfs/dbraw/zinc/44/89/44/569448944.db2.gz WPWLBPJWTCXHJL-AWEZNQCLSA-N 0 0 437.323 4.502 50 0 IJAARN Cc1c(Cl)cnc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1Cl ZINC000003384944 569448975 /nfs/dbraw/zinc/44/89/75/569448975.db2.gz UFTDISPDGINLMQ-UHFFFAOYSA-N 0 0 434.352 4.886 50 0 IJAARN Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)c1 ZINC000003398177 569449478 /nfs/dbraw/zinc/44/94/78/569449478.db2.gz GNWIOAKDJQFDLW-UHFFFAOYSA-N 0 0 427.460 4.660 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C ZINC000003397740 569449508 /nfs/dbraw/zinc/44/95/08/569449508.db2.gz CLFAWZHILWEONB-UHFFFAOYSA-N 0 0 428.533 4.870 50 0 IJAARN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1coc2c1ccc(C)c2C ZINC000058177716 569449834 /nfs/dbraw/zinc/44/98/34/569449834.db2.gz HWAMPPTYEMCFIG-UHFFFAOYSA-N 0 0 441.427 4.533 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003403557 569449856 /nfs/dbraw/zinc/44/98/56/569449856.db2.gz HHDKGWMAKXXFOZ-INIZCTEOSA-N 0 0 446.878 4.729 50 0 IJAARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003408337 569450015 /nfs/dbraw/zinc/45/00/15/569450015.db2.gz VAECUGBCWSQTOK-ZDUSSCGKSA-N 0 0 436.459 4.532 50 0 IJAARN O=C1c2cccc3cccc(c32)C(=O)N1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000003414837 569450215 /nfs/dbraw/zinc/45/02/15/569450215.db2.gz ZNYAPHLMUXNGAF-UHFFFAOYSA-N 0 0 429.473 4.652 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1C ZINC000003421265 569450442 /nfs/dbraw/zinc/45/04/42/569450442.db2.gz VMCIGBSKCMFEQE-QGZVFWFLSA-N 0 0 428.583 4.533 50 0 IJAARN Cc1sc2ncnc(Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)c2c1C ZINC000003423101 569450480 /nfs/dbraw/zinc/45/04/80/569450480.db2.gz UTAVVODYGWKRQC-ZDUSSCGKSA-N 0 0 429.596 4.958 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000003423833 569450496 /nfs/dbraw/zinc/45/04/96/569450496.db2.gz JOYKBJWEMIWUOH-QFIPXVFZSA-N 0 0 438.449 4.589 50 0 IJAARN CSc1nc2ccc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc2s1 ZINC000003432097 569450895 /nfs/dbraw/zinc/45/08/95/569450895.db2.gz WXPXHRYUVJYJKQ-UHFFFAOYSA-N 0 0 438.530 4.631 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000003435878 569451077 /nfs/dbraw/zinc/45/10/77/569451077.db2.gz KXZLPUZMTAJUTN-UHFFFAOYSA-N 0 0 428.366 4.939 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000030979717 569452008 /nfs/dbraw/zinc/45/20/08/569452008.db2.gz HJPZMGZLXIMKTA-FQEVSTJZSA-N 0 0 441.453 4.837 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NC1CCCCC1 ZINC000003477306 569452218 /nfs/dbraw/zinc/45/22/18/569452218.db2.gz LBAFIEZOVLWYFZ-UHFFFAOYSA-N 0 0 427.957 4.580 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000031004090 569452354 /nfs/dbraw/zinc/45/23/54/569452354.db2.gz SYGFHWGSCZRPJQ-UHFFFAOYSA-N 0 0 432.446 4.915 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NCc1ccc(Cl)cc1 ZINC000003534519 569453494 /nfs/dbraw/zinc/45/34/94/569453494.db2.gz LAFGWDKVCMEWBJ-UHFFFAOYSA-N 0 0 438.940 4.648 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3cccnc3)nc3ccccc31)CC2 ZINC000031205183 569454791 /nfs/dbraw/zinc/45/47/91/569454791.db2.gz WLKGHLLJCGABHS-UHFFFAOYSA-N 0 0 425.488 4.513 50 0 biogenic IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3n2)cc1 ZINC000003629596 569455185 /nfs/dbraw/zinc/45/51/85/569455185.db2.gz SCLYCESBLAYWQA-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000003630231 569455212 /nfs/dbraw/zinc/45/52/12/569455212.db2.gz XPHBGTWYDSOHOU-UHFFFAOYSA-N 0 0 425.872 4.719 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)cc3n2)cc1 ZINC000003629606 569455215 /nfs/dbraw/zinc/45/52/15/569455215.db2.gz QCPHIDNHXMAKTR-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 ZINC000031297228 569455609 /nfs/dbraw/zinc/45/56/09/569455609.db2.gz RDASGOWMFVILDL-HXUWFJFHSA-N 0 0 447.279 4.561 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2C)c2ccc3oc(=O)sc3c2)cc1 ZINC000003653720 569455672 /nfs/dbraw/zinc/45/56/72/569455672.db2.gz VZBIAKQXBUKYSL-UHFFFAOYSA-N 0 0 439.514 4.507 50 0 IJAARN CCCC(=O)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000003653579 569455709 /nfs/dbraw/zinc/45/57/09/569455709.db2.gz AFCUJGHEWCDKJQ-UHFFFAOYSA-N 0 0 441.530 4.838 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)C(C)C)c2cc3sc(=O)oc3c3ccccc32)cc1 ZINC000003654212 569455772 /nfs/dbraw/zinc/45/57/72/569455772.db2.gz WBIKDWYDIDCNPR-UHFFFAOYSA-N 0 0 441.530 4.694 50 0 IJAARN C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C(c1ccccc1)c1ccccc1 ZINC000031379591 569456206 /nfs/dbraw/zinc/45/62/06/569456206.db2.gz RBZOUUNDHPDWOZ-CYFREDJKSA-N 0 0 428.532 4.755 50 0 IJAARN CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000031903904 569458298 /nfs/dbraw/zinc/45/82/98/569458298.db2.gz AEEMXNMXVACJGD-UHFFFAOYSA-N 0 0 437.005 4.647 50 0 IJAARN Cc1ccc([C@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083660 569458738 /nfs/dbraw/zinc/45/87/38/569458738.db2.gz UONDFHMNEAUERX-ZBLYBZFDSA-N 0 0 429.564 4.554 50 0 biogenic IJAARN CCc1ccc([C@H]2CN3C(=O)CN([C@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004084145 569458767 /nfs/dbraw/zinc/45/87/67/569458767.db2.gz CYCISJJEWYAGFQ-QHOOGPDPSA-N 0 0 429.564 4.560 50 0 biogenic IJAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OCC(C)C ZINC000032070359 569459161 /nfs/dbraw/zinc/45/91/61/569459161.db2.gz RMOMGAZYLDTZKB-HNNXBMFYSA-N 0 0 441.919 4.791 50 0 IJAARN COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3)n1-c1ccccc1)C2 ZINC000032095892 569459885 /nfs/dbraw/zinc/45/98/85/569459885.db2.gz GPSMWYOBDRREOM-JOCHJYFZSA-N 0 0 443.528 4.851 50 0 IJAARN O=C1Nc2ccc(Cl)cc2[C@@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032097183 569459962 /nfs/dbraw/zinc/45/99/62/569459962.db2.gz MUWRORNMVIBYPS-LJQANCHMSA-N 0 0 448.788 4.654 50 0 IJAARN CC(C)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)C1=O ZINC000032101752 569460073 /nfs/dbraw/zinc/46/00/73/569460073.db2.gz KCLNQULTKRBEPS-XMMPIXPASA-N 0 0 434.927 4.865 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3cccc(-n4cccc4)c3)C2=O)cc1 ZINC000004123151 569460099 /nfs/dbraw/zinc/46/00/99/569460099.db2.gz WGRYZZIIMDCMCQ-NDEPHWFRSA-N 0 0 436.511 4.793 50 0 IJAARN Cc1ccc(Cl)cc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccco1 ZINC000004145564 569460426 /nfs/dbraw/zinc/46/04/26/569460426.db2.gz FGZCDCKWIIGBBI-UHFFFAOYSA-N 0 0 438.940 4.898 50 0 IJAARN CCc1ccc(O[C@](NC(=O)Nc2ccc(F)c(Cl)c2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208114 569460901 /nfs/dbraw/zinc/46/09/01/569460901.db2.gz XWEBATFWBNDGLR-GOSISDBHSA-N 0 0 448.800 4.674 50 0 IJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)CCCC(=O)N2 ZINC000032328233 569461293 /nfs/dbraw/zinc/46/12/93/569461293.db2.gz JWRBGHPHUWNDKZ-UHFFFAOYSA-N 0 0 431.439 4.898 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCC(c3ccccc3)CC2)nn1-c1ccccc1C(F)(F)F ZINC000032366732 569461416 /nfs/dbraw/zinc/46/14/16/569461416.db2.gz PHXAVYTYVZTHIG-UHFFFAOYSA-N 0 0 441.453 4.580 50 0 IJAARN COc1ccccc1N(CCCN1C(=O)c2cccc3cccc(c32)C1=O)C(=O)C(C)(C)C ZINC000004256899 569461453 /nfs/dbraw/zinc/46/14/53/569461453.db2.gz MTCZQOPJNHZHPL-UHFFFAOYSA-N 0 0 444.531 4.914 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CC[C@@H](C)C[C@@H]3C)n2-c2ccccc2)c1 ZINC000059462401 569461518 /nfs/dbraw/zinc/46/15/18/569461518.db2.gz YQBILZKCSWLVFX-MSOLQXFVSA-N 0 0 436.581 4.682 50 0 IJAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000032518572 569461923 /nfs/dbraw/zinc/46/19/23/569461923.db2.gz NXIGZNOBVICYDM-AWEZNQCLSA-N 0 0 430.913 4.547 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCCSc1nc2ccccc2[nH]1 ZINC000032525863 569461983 /nfs/dbraw/zinc/46/19/83/569461983.db2.gz ZTNIPPOOGOTDRJ-UHFFFAOYSA-N 0 0 433.581 4.896 50 0 IJAARN CCCCc1nc2ccccc2n1CC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000007989784 569462097 /nfs/dbraw/zinc/46/20/97/569462097.db2.gz QURICDXJMGCECZ-UHFFFAOYSA-N 0 0 429.568 4.840 50 0 IJAARN CCc1ccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)cc1 ZINC000008267344 569462502 /nfs/dbraw/zinc/46/25/02/569462502.db2.gz HJBPHQNDLHFJIW-UHFFFAOYSA-N 0 0 425.532 4.773 50 0 IJAARN O=C(NCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000038490272 569463127 /nfs/dbraw/zinc/46/31/27/569463127.db2.gz TYZKAMGKUADEKX-UHFFFAOYSA-N 0 0 428.410 4.539 50 0 IJAARN Cc1cc([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546407 569463529 /nfs/dbraw/zinc/46/35/29/569463529.db2.gz VZPONVFOVFTIHD-FQEVSTJZSA-N 0 0 429.973 4.892 50 0 IJAARN CCc1cc([C@@H](c2ccccc2OC)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546444 569463535 /nfs/dbraw/zinc/46/35/35/569463535.db2.gz JFCNTEIAXPKQFU-JOCHJYFZSA-N 0 0 439.581 4.501 50 0 IJAARN Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000067207305 569464690 /nfs/dbraw/zinc/46/46/90/569464690.db2.gz WHPLCDYMDDPJTK-UHFFFAOYSA-N 0 0 437.297 4.915 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237063 569465463 /nfs/dbraw/zinc/46/54/63/569465463.db2.gz COQDHJHBCQCPLB-UHFFFAOYSA-N 0 0 446.576 4.987 50 0 IJAARN CCCCOc1ccc(-c2cc3c4nn(Cc5cccc(Cl)c5)c(=O)n4ccn3n2)cc1 ZINC000067260524 569466358 /nfs/dbraw/zinc/46/63/58/569466358.db2.gz OCONYKGBQWBEFZ-UHFFFAOYSA-N 0 0 447.926 4.691 50 0 IJAARN CCOc1ccccc1N1CCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)CC1 ZINC000067285122 569466840 /nfs/dbraw/zinc/46/68/40/569466840.db2.gz LQZCUFDKEACRRN-UHFFFAOYSA-N 0 0 427.552 4.738 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n(C(C)C)c(=O)c2[nH]1 ZINC000067319380 569468514 /nfs/dbraw/zinc/46/85/14/569468514.db2.gz SLBNPOAZZWAETR-UHFFFAOYSA-N 0 0 425.341 4.652 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)N(C)c4cccc(C)c4)nccn3n2)cc1 ZINC000067290500 569467559 /nfs/dbraw/zinc/46/75/59/569467559.db2.gz FEWMYGWMKGELNL-UHFFFAOYSA-N 0 0 432.549 4.859 50 0 IJAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1Cl ZINC000067294411 569467913 /nfs/dbraw/zinc/46/79/13/569467913.db2.gz RIELTBSBRLVPAC-RWEWTDSWSA-N 0 0 435.867 4.989 50 0 IJAARN CCOC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297899 569468110 /nfs/dbraw/zinc/46/81/10/569468110.db2.gz GXKHWGWPKPYTQY-PNHLSOANSA-N 0 0 443.459 4.503 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)cc3Cl)oc21 ZINC000067299049 569468118 /nfs/dbraw/zinc/46/81/18/569468118.db2.gz IWIYROIMVSQANU-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1C(F)(F)F ZINC000067299285 569468162 /nfs/dbraw/zinc/46/81/62/569468162.db2.gz PZYFROMWFDHHCL-MEFGMAGPSA-N 0 0 428.366 4.913 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 ZINC000067334494 569468835 /nfs/dbraw/zinc/46/88/35/569468835.db2.gz ZPXNUWBCMLPFRM-UHFFFAOYSA-N 0 0 446.551 4.834 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000067340597 569469005 /nfs/dbraw/zinc/46/90/05/569469005.db2.gz ALQKIOMWMWEBGG-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1ccc(Cl)c(Cl)c1 ZINC000038770846 569469033 /nfs/dbraw/zinc/46/90/33/569469033.db2.gz PVXCUVQDFDIGQB-UHFFFAOYSA-N 0 0 446.319 4.535 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)cc1 ZINC000008584346 569469124 /nfs/dbraw/zinc/46/91/24/569469124.db2.gz KGWITARKXRROPF-UHFFFAOYSA-N 0 0 445.566 4.502 50 0 IJAARN COCCn1c(SCCCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCCC3 ZINC000008639752 569469563 /nfs/dbraw/zinc/46/95/63/569469563.db2.gz BJAPFPTXUNXHNX-UHFFFAOYSA-N 0 0 448.635 4.800 50 0 IJAARN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008704182 569470308 /nfs/dbraw/zinc/47/03/08/569470308.db2.gz QSZKAJJYJIHVLR-IBGZPJMESA-N 0 0 449.532 4.505 50 0 IJAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccccc1Br ZINC000008705789 569470390 /nfs/dbraw/zinc/47/03/90/569470390.db2.gz KNJVWGMPCMZHFH-UHFFFAOYSA-N 0 0 442.288 4.891 50 0 IJAARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000008707610 569470602 /nfs/dbraw/zinc/47/06/02/569470602.db2.gz JEUIFPJYTNNRSH-LJQANCHMSA-N 0 0 431.565 4.644 50 0 IJAARN CCS(=O)(=O)c1ccc2oc(NC(=O)CC(c3ccccc3)c3ccccc3)nc2c1 ZINC000008708332 569470690 /nfs/dbraw/zinc/47/06/90/569470690.db2.gz HBOKCHQVBRSHMG-UHFFFAOYSA-N 0 0 434.517 4.782 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)c(C)c2)o1 ZINC000008710306 569470881 /nfs/dbraw/zinc/47/08/81/569470881.db2.gz JVTAAWQVPFHSQW-UHFFFAOYSA-N 0 0 449.326 4.712 50 0 IJAARN C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000008710709 569470952 /nfs/dbraw/zinc/47/09/52/569470952.db2.gz IBGJJICYNJMZSN-DLBZAZTESA-N 0 0 443.478 4.859 50 0 IJAARN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)C1)C(=O)c1ccccc1 ZINC000008715702 569471036 /nfs/dbraw/zinc/47/10/36/569471036.db2.gz POLRJXGVHCQEFB-CTNGQTDRSA-N 0 0 448.544 4.676 50 0 IJAARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)Nc1ccnn1C1CCCC1 ZINC000008719776 569471466 /nfs/dbraw/zinc/47/14/66/569471466.db2.gz MWWZZNKEVHZFPI-UHFFFAOYSA-N 0 0 446.374 4.882 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccccc1 ZINC000008720148 569471544 /nfs/dbraw/zinc/47/15/44/569471544.db2.gz GFJBOICLPWGXAY-GOSISDBHSA-N 0 0 428.355 4.951 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(OC)c1 ZINC000008725506 569472130 /nfs/dbraw/zinc/47/21/30/569472130.db2.gz NCULWRBTIDPMDN-UHFFFAOYSA-N 0 0 445.519 4.511 50 0 IJAARN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2C[C@H]2CCCCO2)CC1 ZINC000008727515 569472385 /nfs/dbraw/zinc/47/23/85/569472385.db2.gz FENJWRHDLXXIMV-QGZVFWFLSA-N 0 0 443.638 4.988 50 0 IJAARN COc1ccc2c(c1)nc(S[C@H](C)c1nc(N)nc(N(C)C)n1)cc2-c1ccccc1 ZINC000008728620 569472400 /nfs/dbraw/zinc/47/24/00/569472400.db2.gz GWEZUVBIQSHCLJ-CQSZACIVSA-N 0 0 432.553 4.597 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)Cc2nc3sc4c(c3c(N)n2)CCCCC4)c(C)c1 ZINC000008747276 569473132 /nfs/dbraw/zinc/47/31/32/569473132.db2.gz BETAHNPPOVPQOL-UHFFFAOYSA-N 0 0 437.613 4.538 50 0 IJAARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000008748521 569473210 /nfs/dbraw/zinc/47/32/10/569473210.db2.gz NANCRMOZXVGFSI-HSZRJFAPSA-N 0 0 434.561 4.852 50 0 IJAARN COc1ccc(-c2nc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)sc2C)cc1 ZINC000008751544 569473461 /nfs/dbraw/zinc/47/34/61/569473461.db2.gz YRXOWAASYIGNRZ-UHFFFAOYSA-N 0 0 441.578 4.680 50 0 IJAARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCC(=O)C(C)(C)C)cc1 ZINC000008751313 569473477 /nfs/dbraw/zinc/47/34/77/569473477.db2.gz YVIYGZLTYSHACQ-WOJGMQOQSA-N 0 0 436.533 4.816 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008758314 569474182 /nfs/dbraw/zinc/47/41/82/569474182.db2.gz HQUDLZVNQVMGTL-SFHVURJKSA-N 0 0 445.494 4.784 50 0 IJAARN CCCC(=O)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1ccccc1 ZINC000008763566 569474380 /nfs/dbraw/zinc/47/43/80/569474380.db2.gz YTZQJBFGISVDSW-UHFFFAOYSA-N 0 0 427.503 4.530 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4cccc(C)c4C)nn3c2C)cc1 ZINC000008813089 569476651 /nfs/dbraw/zinc/47/66/51/569476651.db2.gz BJMVUIHILUXDTE-UHFFFAOYSA-N 0 0 445.592 4.988 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000008824370 569477199 /nfs/dbraw/zinc/47/71/99/569477199.db2.gz UXAFTPRVJPYARF-UHFFFAOYSA-N 0 0 434.448 4.804 50 0 IJAARN Cn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccccc1 ZINC000008825753 569477465 /nfs/dbraw/zinc/47/74/65/569477465.db2.gz QCYKLRKIRJLBOF-UHFFFAOYSA-N 0 0 431.546 4.739 50 0 IJAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1 ZINC000008845045 569478640 /nfs/dbraw/zinc/47/86/40/569478640.db2.gz XYOIDYLEZWYZQK-HXUWFJFHSA-N 0 0 438.531 4.528 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000008845069 569478686 /nfs/dbraw/zinc/47/86/86/569478686.db2.gz XMNZCGUYKXMOKD-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN CSc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000008852159 569479439 /nfs/dbraw/zinc/47/94/39/569479439.db2.gz ZHYSWUZZVPPLPI-UHFFFAOYSA-N 0 0 447.582 4.916 50 0 IJAARN CSc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852009 569479451 /nfs/dbraw/zinc/47/94/51/569479451.db2.gz PYYBSLMVMHRBBM-UHFFFAOYSA-N 0 0 447.582 4.916 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 ZINC000008852943 569479516 /nfs/dbraw/zinc/47/95/16/569479516.db2.gz AMFASNUFSPJGSF-UHFFFAOYSA-N 0 0 425.579 4.980 50 0 IJAARN CCCCn1nnnc1CSc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C ZINC000008861204 569479983 /nfs/dbraw/zinc/47/99/83/569479983.db2.gz DHGGHCOBIPVNLO-UHFFFAOYSA-N 0 0 434.573 4.532 50 0 IJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000008861439 569480006 /nfs/dbraw/zinc/48/00/06/569480006.db2.gz DCYSGCIXKFEGHF-QGZVFWFLSA-N 0 0 438.487 4.819 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@H](C)C(=O)N(C)c1ccccc1 ZINC000008862475 569480210 /nfs/dbraw/zinc/48/02/10/569480210.db2.gz WOAHISDZFLWSRQ-OAHLLOKOSA-N 0 0 429.973 4.850 50 0 IJAARN COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1ccccc1F ZINC000008869071 569480407 /nfs/dbraw/zinc/48/04/07/569480407.db2.gz YZDFSLARRLTAFJ-UHFFFAOYSA-N 0 0 439.527 4.555 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000008878828 569481305 /nfs/dbraw/zinc/48/13/05/569481305.db2.gz VGTJJQPGXITQLV-UHFFFAOYSA-N 0 0 432.476 4.912 50 0 biogenic IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000008880847 569481476 /nfs/dbraw/zinc/48/14/76/569481476.db2.gz FYELWFVPMHENHI-AWEZNQCLSA-N 0 0 433.480 4.568 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)S[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000040018162 569482606 /nfs/dbraw/zinc/48/26/06/569482606.db2.gz UHKQLUGNULTMOV-KGLIPLIRSA-N 0 0 442.976 4.981 50 0 IJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3CSc3nc4ccccc4[nH]3)cc12 ZINC000040040249 569483396 /nfs/dbraw/zinc/48/33/96/569483396.db2.gz AJKYJOTVPFQJLZ-UHFFFAOYSA-N 0 0 428.521 4.698 50 0 IJAARN CC[C@@H]1CCc2sc(-c3nnc(SCc4nc5ccsc5c(=O)[nH]4)n3C)cc2C1 ZINC000008900645 569484142 /nfs/dbraw/zinc/48/41/42/569484142.db2.gz AOUPAONVKQTRLN-LLVKDONJSA-N 0 0 443.623 4.649 50 0 IJAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051375 569484400 /nfs/dbraw/zinc/48/44/00/569484400.db2.gz ZLFBQBDCLZERTN-HXUWFJFHSA-N 0 0 440.547 4.725 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1C ZINC000040056811 569484549 /nfs/dbraw/zinc/48/45/49/569484549.db2.gz APNZGQADDIQDBH-SFHVURJKSA-N 0 0 440.565 4.514 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000008913153 569485236 /nfs/dbraw/zinc/48/52/36/569485236.db2.gz TZLPUWDUDIBPGM-UHFFFAOYSA-N 0 0 432.549 4.988 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)CC1=O ZINC000008915714 569485567 /nfs/dbraw/zinc/48/55/67/569485567.db2.gz NCUQRJNOFKXUDL-CABCVRRESA-N 0 0 430.335 4.759 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000040071025 569485693 /nfs/dbraw/zinc/48/56/93/569485693.db2.gz UIWSGYSQMDQOPN-UHFFFAOYSA-N 0 0 438.449 4.971 50 0 IJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@@](=O)C3)c1C ZINC000008918908 569486423 /nfs/dbraw/zinc/48/64/23/569486423.db2.gz GCQVYDCYQQNQRI-PMERELPUSA-N 0 0 433.455 4.523 50 0 IJAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C[S@](=O)C2 ZINC000008919755 569486508 /nfs/dbraw/zinc/48/65/08/569486508.db2.gz WBNJCAIJWPRWNM-JGCGQSQUSA-N 0 0 441.556 4.714 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000040080987 569486600 /nfs/dbraw/zinc/48/66/00/569486600.db2.gz MCSQUHONUWDWJM-CABCVRRESA-N 0 0 443.491 4.599 50 0 IJAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040087692 569486706 /nfs/dbraw/zinc/48/67/06/569486706.db2.gz CXWOCWPRPABHDO-UHFFFAOYSA-N 0 0 436.418 4.865 50 0 IJAARN CCOC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000008929419 569487364 /nfs/dbraw/zinc/48/73/64/569487364.db2.gz CCFILJFIZIFKRA-UHFFFAOYSA-N 0 0 430.574 4.723 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000040099029 569487534 /nfs/dbraw/zinc/48/75/34/569487534.db2.gz MOEURIVQRFKTCR-HXUWFJFHSA-N 0 0 449.473 4.920 50 0 IJAARN COc1ccccc1CC[NH2+]Cc1c(C)n(Cc2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000008932817 569487713 /nfs/dbraw/zinc/48/77/13/569487713.db2.gz ADQRUZGUZGUBRM-UHFFFAOYSA-N 0 0 426.944 4.846 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000008935522 569487965 /nfs/dbraw/zinc/48/79/65/569487965.db2.gz VSZZSBLUHMCYNS-UHFFFAOYSA-N 0 0 442.544 4.836 50 0 IJAARN CCN(CC)C(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 ZINC000008936302 569488060 /nfs/dbraw/zinc/48/80/60/569488060.db2.gz USVUXMUENZUSIR-UHFFFAOYSA-N 0 0 439.562 4.668 50 0 IJAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000040103870 569488107 /nfs/dbraw/zinc/48/81/07/569488107.db2.gz QQFBFGPQXFIQAB-MRXNPFEDSA-N 0 0 429.542 4.687 50 0 IJAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000040103869 569488112 /nfs/dbraw/zinc/48/81/12/569488112.db2.gz QQFBFGPQXFIQAB-INIZCTEOSA-N 0 0 429.542 4.687 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000040115341 569489223 /nfs/dbraw/zinc/48/92/23/569489223.db2.gz IPAYXTFXECSVRV-UHFFFAOYSA-N 0 0 428.272 4.514 50 0 IJAARN Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cs1 ZINC000040129594 569489795 /nfs/dbraw/zinc/48/97/95/569489795.db2.gz CTIPQGWIWPMVME-UHFFFAOYSA-N 0 0 425.554 4.795 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000040129080 569489827 /nfs/dbraw/zinc/48/98/27/569489827.db2.gz NRKIPCKWRBCNJO-UHFFFAOYSA-N 0 0 427.932 4.999 50 0 IJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)c12 ZINC000040132826 569490395 /nfs/dbraw/zinc/49/03/95/569490395.db2.gz ZTYBSBIHYCBUOR-UHFFFAOYSA-N 0 0 427.936 4.623 50 0 IJAARN CN(C(=O)COc1ccc(F)cc1Br)[C@H](c1ccccc1)c1ccccn1 ZINC000040134785 569490534 /nfs/dbraw/zinc/49/05/34/569490534.db2.gz ZFMXPUMGIXTIET-OAQYLSRUSA-N 0 0 429.289 4.610 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](CC)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965267 569491374 /nfs/dbraw/zinc/49/13/74/569491374.db2.gz BLWNRJDGOPWBLN-QHCPKHFHSA-N 0 0 444.535 4.793 50 0 IJAARN CC[C@@H](C(=O)NC[C@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965291 569491376 /nfs/dbraw/zinc/49/13/76/569491376.db2.gz UMLURUBHCWJIOK-UUOWRZLLSA-N 0 0 442.563 4.675 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000008965852 569491532 /nfs/dbraw/zinc/49/15/32/569491532.db2.gz IJGLDPKDPVTIEX-UHFFFAOYSA-N 0 0 447.491 4.836 50 0 IJAARN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1 ZINC000040155350 569493903 /nfs/dbraw/zinc/49/39/03/569493903.db2.gz LIEBYRBQTXNVIO-UHFFFAOYSA-N 0 0 439.269 4.731 50 0 IJAARN C[C@@]1(c2ccco2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O ZINC000008981497 569494420 /nfs/dbraw/zinc/49/44/20/569494420.db2.gz MGKSOJYBEVUEKQ-DEOSSOPVSA-N 0 0 446.894 4.753 50 0 IJAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000040157996 569494468 /nfs/dbraw/zinc/49/44/68/569494468.db2.gz SVODULZRYIMCOW-QHCPKHFHSA-N 0 0 448.523 4.632 50 0 IJAARN O=C(Nc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1)c1cccs1 ZINC000008983702 569494649 /nfs/dbraw/zinc/49/46/49/569494649.db2.gz CWVPQKQCZQOZRD-UHFFFAOYSA-N 0 0 442.924 4.745 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2=O)cc1 ZINC000040159430 569494692 /nfs/dbraw/zinc/49/46/92/569494692.db2.gz GDZXYDIJPYTAIH-GFCCVEGCSA-N 0 0 433.505 4.911 50 0 IJAARN Cc1cccc(OCCNC(=O)CSc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000008993946 569495473 /nfs/dbraw/zinc/49/54/73/569495473.db2.gz NZOLWQLOJKKLGC-UHFFFAOYSA-N 0 0 429.545 4.893 50 0 IJAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008998181 569495964 /nfs/dbraw/zinc/49/59/64/569495964.db2.gz GFWXGDFJTRKYQP-RFBIWTDZSA-N 0 0 448.519 4.851 50 0 IJAARN COc1ccccc1Cn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc21 ZINC000009002136 569496053 /nfs/dbraw/zinc/49/60/53/569496053.db2.gz MCWGYFRGESVKAG-UHFFFAOYSA-N 0 0 434.503 4.777 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1ccc(O)cc1)oc1c3CCCC1 ZINC000009049442 569498523 /nfs/dbraw/zinc/49/85/23/569498523.db2.gz BCIIBCMWGYENLP-UHFFFAOYSA-N 0 0 445.515 4.724 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)cc1 ZINC000009049807 569498538 /nfs/dbraw/zinc/49/85/38/569498538.db2.gz GZJMTGQERMIHSK-UHFFFAOYSA-N 0 0 430.504 4.634 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009054303 569498906 /nfs/dbraw/zinc/49/89/06/569498906.db2.gz UAYFKPDMAZDYST-NRFANRHFSA-N 0 0 435.973 4.656 50 0 IJAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000009054454 569498908 /nfs/dbraw/zinc/49/89/08/569498908.db2.gz QZOFWCRKGXIKLQ-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000009056217 569498955 /nfs/dbraw/zinc/49/89/55/569498955.db2.gz CHEREDWNFOOFKL-INIZCTEOSA-N 0 0 443.528 4.995 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245276742 569501948 /nfs/dbraw/zinc/50/19/48/569501948.db2.gz VJRJMPRQYPEKND-MPCDZSKCSA-N 0 0 425.573 4.704 50 0 IJAARN COc1cc2c(cc1NC(=S)NC(=O)C=Cc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000009111060 569502307 /nfs/dbraw/zinc/50/23/07/569502307.db2.gz OHKKVCCSBWRVIB-VQHVLOKHSA-N 0 0 446.484 4.850 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCC5=CCCCC5)C4)sc3n2)cc1 ZINC000009117522 569503178 /nfs/dbraw/zinc/50/31/78/569503178.db2.gz IQROPGNGKKGDLK-NRFANRHFSA-N 0 0 449.624 4.989 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000009119556 569503592 /nfs/dbraw/zinc/50/35/92/569503592.db2.gz PNNFHCWSVJPFBN-SFHVURJKSA-N 0 0 442.874 4.793 50 0 IJAARN COc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009123881 569504169 /nfs/dbraw/zinc/50/41/69/569504169.db2.gz VOCBVTAVIWSOCG-QFIPXVFZSA-N 0 0 426.472 4.559 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc21 ZINC000009125022 569504527 /nfs/dbraw/zinc/50/45/27/569504527.db2.gz HICVYYGEHMLPLN-UHFFFAOYSA-N 0 0 442.471 4.802 50 0 IJAARN CCn1c(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)nnc1-c1cccs1 ZINC000009125679 569504722 /nfs/dbraw/zinc/50/47/22/569504722.db2.gz NFWAXSPUGWVZMX-SFHVURJKSA-N 0 0 440.598 4.508 50 0 IJAARN O=c1cc(CSc2ncnc3c2cnn3-c2ccccc2)c2cc3c(cc2o1)CCC3 ZINC000009125931 569504776 /nfs/dbraw/zinc/50/47/76/569504776.db2.gz SOKTXWBHUYOKHY-UHFFFAOYSA-N 0 0 426.501 4.703 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@@H](OC(=O)c2c(F)cccc2Cl)c2ccccc2)cc1 ZINC000009126609 569504971 /nfs/dbraw/zinc/50/49/71/569504971.db2.gz NNXSEUCAGFNAPI-HXUWFJFHSA-N 0 0 447.915 4.664 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)c(F)c1 ZINC000009127282 569505141 /nfs/dbraw/zinc/50/51/41/569505141.db2.gz KIRFVZFAVVLXSN-CQSZACIVSA-N 0 0 447.967 4.722 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)cc1 ZINC000009128655 569505417 /nfs/dbraw/zinc/50/54/17/569505417.db2.gz FFGKRSUAUTWBQH-QFIPXVFZSA-N 0 0 446.532 4.551 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009132365 569506979 /nfs/dbraw/zinc/50/69/79/569506979.db2.gz XYRUGZBNAVGMBD-IBGZPJMESA-N 0 0 444.560 4.574 50 0 IJAARN CCc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn3c(n2)nc(C)cc3C)cc1 ZINC000009144407 569507313 /nfs/dbraw/zinc/50/73/13/569507313.db2.gz ROXSYPBADORMOD-UHFFFAOYSA-N 0 0 441.560 4.900 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000009153561 569508123 /nfs/dbraw/zinc/50/81/23/569508123.db2.gz YZJAFTVNKUGPTH-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1ccc(F)cc1)n2C ZINC000009153608 569508135 /nfs/dbraw/zinc/50/81/35/569508135.db2.gz BOZZVDYSPZBKPY-UHFFFAOYSA-N 0 0 447.897 4.793 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1ccccc1)n2C ZINC000009153616 569508142 /nfs/dbraw/zinc/50/81/42/569508142.db2.gz PEUBLSHMRGEVLF-UHFFFAOYSA-N 0 0 429.907 4.654 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2OCC(C)(C)C1=O ZINC000009167634 569508977 /nfs/dbraw/zinc/50/89/77/569508977.db2.gz JGIYAPMAAUGPSF-UHFFFAOYSA-N 0 0 442.581 4.528 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009172491 569509543 /nfs/dbraw/zinc/50/95/43/569509543.db2.gz SNPCAFAOTVSORN-UHFFFAOYSA-N 0 0 444.597 4.848 50 0 IJAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000009173293 569509666 /nfs/dbraw/zinc/50/96/66/569509666.db2.gz HWSWYKMSYQQJLK-UHFFFAOYSA-N 0 0 435.574 4.803 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1OC ZINC000009191834 569510679 /nfs/dbraw/zinc/51/06/79/569510679.db2.gz FUCRKUBSJWUXHQ-FQEVSTJZSA-N 0 0 448.862 4.608 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1OCC ZINC000009194983 569510917 /nfs/dbraw/zinc/51/09/17/569510917.db2.gz NGODDNALUSUTSZ-CQSZACIVSA-N 0 0 445.903 4.902 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009200981 569511146 /nfs/dbraw/zinc/51/11/46/569511146.db2.gz UIAQTGOUBPZHRI-GOSISDBHSA-N 0 0 445.548 4.945 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1Cl ZINC000009211671 569511808 /nfs/dbraw/zinc/51/18/08/569511808.db2.gz AAWMKTWIMPJOTG-UHFFFAOYSA-N 0 0 436.899 4.894 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NC3CCCCC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000009212183 569511974 /nfs/dbraw/zinc/51/19/74/569511974.db2.gz MSEUECWZHGPYEA-UHFFFAOYSA-N 0 0 438.549 4.686 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000009218078 569512376 /nfs/dbraw/zinc/51/23/76/569512376.db2.gz VKEZAMPQFMZIOO-BWKNWUBXSA-N 0 0 430.552 4.602 50 0 IJAARN O=C(NCCc1nnc2n1CCCCC2)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000009221215 569512622 /nfs/dbraw/zinc/51/26/22/569512622.db2.gz ROKXPLVIOQLKLO-UHFFFAOYSA-N 0 0 443.473 4.739 50 0 IJAARN COc1ccc(C(C)=O)cc1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000009223086 569512893 /nfs/dbraw/zinc/51/28/93/569512893.db2.gz QEGNWHHFLBYWQS-UHFFFAOYSA-N 0 0 441.915 4.581 50 0 IJAARN COCCCN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)[C@@H](C)c1ccncc1 ZINC000009227543 569513488 /nfs/dbraw/zinc/51/34/88/569513488.db2.gz VWDCCNXSMBGJAD-IBGZPJMESA-N 0 0 436.556 4.684 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227842 569513506 /nfs/dbraw/zinc/51/35/06/569513506.db2.gz SICQIVCDDZJLAJ-UHFFFAOYSA-N 0 0 438.572 4.531 50 0 IJAARN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1O ZINC000009234201 569513902 /nfs/dbraw/zinc/51/39/02/569513902.db2.gz KKNAKTRLAQUTGF-LICLKQGHSA-N 0 0 434.311 4.790 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(Cl)cc1 ZINC000009237013 569514214 /nfs/dbraw/zinc/51/42/14/569514214.db2.gz FUDKXAZTKXHHRO-PMACEKPBSA-N 0 0 447.951 4.996 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238265 569514267 /nfs/dbraw/zinc/51/42/67/569514267.db2.gz UKKPKDMXECBKFZ-VQTJNVASSA-N 0 0 447.951 4.996 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239392 569514519 /nfs/dbraw/zinc/51/45/19/569514519.db2.gz TVPPDUKNPGOEPE-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239565 569514561 /nfs/dbraw/zinc/51/45/61/569514561.db2.gz WWWPBXUYFAKFAA-QZTJIDSGSA-N 0 0 447.486 4.647 50 0 IJAARN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccn3)sc2c1 ZINC000009240738 569514595 /nfs/dbraw/zinc/51/45/95/569514595.db2.gz HJOMHGIATDAKIH-FQEVSTJZSA-N 0 0 425.469 4.856 50 0 IJAARN CSc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009243672 569514935 /nfs/dbraw/zinc/51/49/35/569514935.db2.gz YMMMPTHVNMKWSW-QHCPKHFHSA-N 0 0 437.565 4.865 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCc3ccc(Br)cc3F)o2)c1 ZINC000009245264 569515278 /nfs/dbraw/zinc/51/52/78/569515278.db2.gz BCDQYTRFYZJZAI-UHFFFAOYSA-N 0 0 425.279 4.948 50 0 IJAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1cccc2ccccc21 ZINC000009245547 569515336 /nfs/dbraw/zinc/51/53/36/569515336.db2.gz AGUCHSMOKTUIKL-MUUNZHRXSA-N 0 0 434.495 4.713 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)c1 ZINC000009250139 569515652 /nfs/dbraw/zinc/51/56/52/569515652.db2.gz ZNFYJOAPMOUMES-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN COc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1F ZINC000009255059 569516458 /nfs/dbraw/zinc/51/64/58/569516458.db2.gz YMYLFDYLCNIELK-UHFFFAOYSA-N 0 0 427.476 4.954 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000009255860 569516635 /nfs/dbraw/zinc/51/66/35/569516635.db2.gz STXFVJCFFAATMK-MRXNPFEDSA-N 0 0 438.549 4.756 50 0 IJAARN COc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1OC ZINC000009255693 569516642 /nfs/dbraw/zinc/51/66/42/569516642.db2.gz WJZKNCITXCKQMN-UHFFFAOYSA-N 0 0 447.560 4.949 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000009280828 569518545 /nfs/dbraw/zinc/51/85/45/569518545.db2.gz NDPCFMOMXJCDSX-OAQYLSRUSA-N 0 0 448.862 4.608 50 0 IJAARN CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000009282963 569518780 /nfs/dbraw/zinc/51/87/80/569518780.db2.gz KIWXBJZBJFSSAT-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc(OC)c3)c3ncnn32)cc1 ZINC000009288984 569519504 /nfs/dbraw/zinc/51/95/04/569519504.db2.gz RCRARKSCECOVDH-ZEQRLZLVSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000009291860 569519855 /nfs/dbraw/zinc/51/98/55/569519855.db2.gz FDYFVRRXFIMSNS-MOPGFXCFSA-N 0 0 449.898 4.932 50 0 IJAARN CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300570 569520620 /nfs/dbraw/zinc/52/06/20/569520620.db2.gz JQXITLAJDKAKPG-SFHVURJKSA-N 0 0 433.455 4.869 50 0 IJAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2O1 ZINC000009305041 569521230 /nfs/dbraw/zinc/52/12/30/569521230.db2.gz ZDQOMTASPZSTLQ-UHFFFAOYSA-N 0 0 447.487 4.733 50 0 IJAARN O=c1cc(CSc2nnc(Nc3ccccc3F)s2)nc2sc3ccccc3n21 ZINC000009315313 569522075 /nfs/dbraw/zinc/52/20/75/569522075.db2.gz CCIRRXMVLWJLLU-UHFFFAOYSA-N 0 0 441.538 4.936 50 0 IJAARN O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCO2 ZINC000009328410 569522920 /nfs/dbraw/zinc/52/29/20/569522920.db2.gz SPFZZPSLAIIFMN-UHFFFAOYSA-N 0 0 433.391 4.549 50 0 IJAARN COc1ccc(NC(=O)Cc2c(OC)ccc3cc(Br)ccc32)c(OC)c1 ZINC000000703764 569523503 /nfs/dbraw/zinc/52/35/03/569523503.db2.gz AMGZNOHHTZWUQW-UHFFFAOYSA-N 0 0 430.298 4.809 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc(-n2cccc2)c1 ZINC000009338982 569523692 /nfs/dbraw/zinc/52/36/92/569523692.db2.gz MWZSDOMAZFDULS-UHFFFAOYSA-N 0 0 435.480 4.670 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000009350366 569524802 /nfs/dbraw/zinc/52/48/02/569524802.db2.gz PQJVIEMXYSSRFX-RDGATRHJSA-N 0 0 441.531 4.835 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3ccccc3)C3CCCCC3)n2)cc1 ZINC000009355741 569525278 /nfs/dbraw/zinc/52/52/78/569525278.db2.gz VJIHKOHXJDCUMM-GOSISDBHSA-N 0 0 435.524 4.874 50 0 IJAARN COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC ZINC000009360375 569525812 /nfs/dbraw/zinc/52/58/12/569525812.db2.gz IUZMXPLTKJBZNR-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC ZINC000009377227 569527420 /nfs/dbraw/zinc/52/74/20/569527420.db2.gz IPLFGZSMWVPERS-UHFFFAOYSA-N 0 0 447.560 4.949 50 0 IJAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)CC1CCCCC1 ZINC000009381291 569528091 /nfs/dbraw/zinc/52/80/91/569528091.db2.gz XKSLQKGVJIVLMV-UHFFFAOYSA-N 0 0 439.537 4.533 50 0 IJAARN O=c1sc2ccccc2n1Cc1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000009382819 569528344 /nfs/dbraw/zinc/52/83/44/569528344.db2.gz YFJFCSZLTSBSSA-UHFFFAOYSA-N 0 0 430.558 4.984 50 0 IJAARN COc1ccc(C(=O)NCc2nnc(SCc3ccccc3)n2Cc2ccccc2)cc1 ZINC000009390776 569528794 /nfs/dbraw/zinc/52/87/94/569528794.db2.gz HIEKWLMESZYOGF-UHFFFAOYSA-N 0 0 444.560 4.557 50 0 IJAARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000009391597 569528960 /nfs/dbraw/zinc/52/89/60/569528960.db2.gz IRVFGNBCJAZUMG-ALCCZGGFSA-N 0 0 425.897 4.653 50 0 IJAARN Cc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C2CCCCC2)cc1 ZINC000009392183 569529106 /nfs/dbraw/zinc/52/91/06/569529106.db2.gz XVWPAJAQUIMIIS-HSZRJFAPSA-N 0 0 439.581 4.625 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000009397956 569529274 /nfs/dbraw/zinc/52/92/74/569529274.db2.gz ILTBOFOANIQTBE-UHFFFAOYSA-N 0 0 442.298 4.698 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009403482 569529480 /nfs/dbraw/zinc/52/94/80/569529480.db2.gz MNCIRVLWUXAGPU-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000009403874 569529527 /nfs/dbraw/zinc/52/95/27/569529527.db2.gz ISTHVTLNEIVNKA-QFIPXVFZSA-N 0 0 437.499 4.647 50 0 IJAARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000009404264 569529631 /nfs/dbraw/zinc/52/96/31/569529631.db2.gz NEPKBEZRKMYOIM-UHFFFAOYSA-N 0 0 427.485 4.869 50 0 IJAARN Clc1ccc(OCC2=NNC(COc3ccc(Cl)cc3Cl)=NN2)c(Cl)c1 ZINC000009404631 569529697 /nfs/dbraw/zinc/52/96/97/569529697.db2.gz HXJCJGHPMWOSSB-UHFFFAOYSA-N 0 0 434.110 4.578 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000009407726 569530296 /nfs/dbraw/zinc/53/02/96/569530296.db2.gz LOPJJLZHZUMJJF-UHFFFAOYSA-N 0 0 431.922 4.811 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009408911 569530707 /nfs/dbraw/zinc/53/07/07/569530707.db2.gz XNARGZFWVCNTQI-HOYKHHGWSA-N 0 0 431.536 4.804 50 0 IJAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009409056 569530794 /nfs/dbraw/zinc/53/07/94/569530794.db2.gz PPTVLHFOOINDAT-FQEVSTJZSA-N 0 0 432.307 4.671 50 0 IJAARN Cc1c(C)n(-c2cccnc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000009410961 569531488 /nfs/dbraw/zinc/53/14/88/569531488.db2.gz ZLKZSEPRBUTBLO-UHFFFAOYSA-N 0 0 443.561 4.982 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 ZINC000009413592 569531757 /nfs/dbraw/zinc/53/17/57/569531757.db2.gz YFCSLLSSMJUOMN-PMERELPUSA-N 0 0 443.956 4.719 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)cc1 ZINC000009413606 569531759 /nfs/dbraw/zinc/53/17/59/569531759.db2.gz WOLYFZHMUFIUNV-HKBQPEDESA-N 0 0 437.565 4.683 50 0 IJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000009413838 569531867 /nfs/dbraw/zinc/53/18/67/569531867.db2.gz VAYQEHQARWBMRN-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(Br)cn4)c3ncn2n1 ZINC000009419016 569532511 /nfs/dbraw/zinc/53/25/11/569532511.db2.gz RCFPLRZKLZYMMB-UHFFFAOYSA-N 0 0 449.312 4.518 50 0 IJAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(C)c21 ZINC000009419309 569532540 /nfs/dbraw/zinc/53/25/40/569532540.db2.gz NSUKSMVXCJKIAD-UHFFFAOYSA-N 0 0 433.460 4.725 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CSc2nc(C)cc(C)n2)n3C)c1 ZINC000009421489 569532782 /nfs/dbraw/zinc/53/27/82/569532782.db2.gz AGHNXSKHXMROQO-UHFFFAOYSA-N 0 0 447.564 4.598 50 0 IJAARN COc1ccccc1NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000009427736 569533452 /nfs/dbraw/zinc/53/34/52/569533452.db2.gz FTDPHEWVTYCHED-UHFFFAOYSA-N 0 0 437.503 4.670 50 0 IJAARN CCCN(C(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1ccccc1C ZINC000009431619 569534254 /nfs/dbraw/zinc/53/42/54/569534254.db2.gz YFRHZFNEGFRSNC-HXUWFJFHSA-N 0 0 434.540 4.713 50 0 IJAARN CC(C)Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccncc1 ZINC000009432010 569534342 /nfs/dbraw/zinc/53/43/42/569534342.db2.gz GDFYBMILWJJZIQ-UHFFFAOYSA-N 0 0 426.933 4.992 50 0 IJAARN CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000009432021 569534379 /nfs/dbraw/zinc/53/43/79/569534379.db2.gz OFSPTIZNBJFQIP-HNAYVOBHSA-N 0 0 431.558 4.520 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000009432763 569534459 /nfs/dbraw/zinc/53/44/59/569534459.db2.gz ANFKFZXGBBBQKC-PKTZIBPZSA-N 0 0 434.561 4.876 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 ZINC000009432789 569534474 /nfs/dbraw/zinc/53/44/74/569534474.db2.gz ZDGWMSRJHHUECY-NHCUHLMSSA-N 0 0 440.952 4.967 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009434421 569534712 /nfs/dbraw/zinc/53/47/12/569534712.db2.gz CHVWBQZUGSCBJQ-UHFFFAOYSA-N 0 0 447.771 4.686 50 0 IJAARN COc1ccccc1OCCOc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 ZINC000009434589 569534753 /nfs/dbraw/zinc/53/47/53/569534753.db2.gz HHQWEWAJPVSDCO-UHFFFAOYSA-N 0 0 448.544 4.997 50 0 IJAARN COc1cccc(-n2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3c2=O)c1 ZINC000009438684 569534954 /nfs/dbraw/zinc/53/49/54/569534954.db2.gz FCGBOSYXRHVATP-UHFFFAOYSA-N 0 0 434.879 4.914 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccco4)n3C)n2)cc1C ZINC000009442544 569535554 /nfs/dbraw/zinc/53/55/54/569535554.db2.gz JOJXIBHBGCEQMZ-UHFFFAOYSA-N 0 0 425.539 4.546 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 ZINC000009442781 569535665 /nfs/dbraw/zinc/53/56/65/569535665.db2.gz CKXKCIMFTAWKRH-UHFFFAOYSA-N 0 0 439.515 4.896 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009444229 569535736 /nfs/dbraw/zinc/53/57/36/569535736.db2.gz VXYITRWWTJZDME-XMMPIXPASA-N 0 0 444.556 4.759 50 0 IJAARN COc1ccc(-c2cc(-c3ccc(C)cc3C)nc3sc(C(N)=O)c(N)c32)cc1OC ZINC000009446432 569535890 /nfs/dbraw/zinc/53/58/90/569535890.db2.gz IMBDIYFKSHZCGO-UHFFFAOYSA-N 0 0 433.533 4.945 50 0 IJAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009458616 569536746 /nfs/dbraw/zinc/53/67/46/569536746.db2.gz HEBAEZFCXARGLU-SYZXBLONSA-N 0 0 446.012 4.867 50 0 IJAARN O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000009465347 569537889 /nfs/dbraw/zinc/53/78/89/569537889.db2.gz HBQKJCSXPSRAMQ-INIZCTEOSA-N 0 0 425.120 4.610 50 0 IJAARN O=C(NC1CC1)[C@H](Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000009465349 569537904 /nfs/dbraw/zinc/53/79/04/569537904.db2.gz HBQKJCSXPSRAMQ-MRXNPFEDSA-N 0 0 425.120 4.610 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cn3c(cccc3C)n1)CC2 ZINC000009467363 569538391 /nfs/dbraw/zinc/53/83/91/569538391.db2.gz APGVEWYPQBXYSU-QHCPKHFHSA-N 0 0 433.533 4.509 50 0 IJAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2C(N)=O)C1 ZINC000009467999 569538519 /nfs/dbraw/zinc/53/85/19/569538519.db2.gz PAYVXVHNXXRVMB-LBPRGKRZSA-N 0 0 428.485 4.535 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)NCCc3cccs3)n2-c2ccccc2)c1 ZINC000009468782 569538680 /nfs/dbraw/zinc/53/86/80/569538680.db2.gz VCLDQBUBZNIJMC-UHFFFAOYSA-N 0 0 434.590 4.755 50 0 IJAARN O=C([C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCCC1 ZINC000009477964 569539248 /nfs/dbraw/zinc/53/92/48/569539248.db2.gz KDYKFPSFQNWAPW-SFHVURJKSA-N 0 0 428.558 4.745 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc(OCC)c1OCC ZINC000009478540 569539371 /nfs/dbraw/zinc/53/93/71/569539371.db2.gz UZYRHTUOPGTUIC-UHFFFAOYSA-N 0 0 443.525 4.662 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009487539 569539745 /nfs/dbraw/zinc/53/97/45/569539745.db2.gz WNNOSLCFRKLNFS-JOCHJYFZSA-N 0 0 430.460 4.855 50 0 IJAARN CCC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H]1c1cccs1 ZINC000009489586 569539990 /nfs/dbraw/zinc/53/99/90/569539990.db2.gz BJCACWVEQNCWOP-FQEVSTJZSA-N 0 0 439.562 4.637 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)cc1 ZINC000009489447 569540003 /nfs/dbraw/zinc/54/00/03/569540003.db2.gz XKTRNUUAOVLLAT-UPVQGACJSA-N 0 0 433.533 4.609 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 ZINC000009490354 569540180 /nfs/dbraw/zinc/54/01/80/569540180.db2.gz YJJQBQLSBMCPLN-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN OCCn1c(CSc2nnc(Nc3ccccc3F)s2)nc2ccc(Cl)cc21 ZINC000009492192 569540502 /nfs/dbraw/zinc/54/05/02/569540502.db2.gz DVQZAEBBZLYNEF-UHFFFAOYSA-N 0 0 435.937 4.709 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009492189 569540534 /nfs/dbraw/zinc/54/05/34/569540534.db2.gz TZFJXTUQZWBYBE-UHFFFAOYSA-N 0 0 445.544 4.645 50 0 IJAARN Cc1nc2ccccc2nc1CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000009501494 569541588 /nfs/dbraw/zinc/54/15/88/569541588.db2.gz FMUBUZDQFCGHDT-GOSISDBHSA-N 0 0 435.528 4.807 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000009503021 569541701 /nfs/dbraw/zinc/54/17/01/569541701.db2.gz WKWHJEYTPDHWKV-UHFFFAOYSA-N 0 0 433.508 4.623 50 0 IJAARN O=C(CSc1nnc2ccccn21)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000009502785 569541710 /nfs/dbraw/zinc/54/17/10/569541710.db2.gz WZOZYNRNHKRSGH-UHFFFAOYSA-N 0 0 448.573 4.631 50 0 IJAARN CSc1nc2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2s1 ZINC000009506960 569541875 /nfs/dbraw/zinc/54/18/75/569541875.db2.gz KFWKXNUNJAEHGD-UHFFFAOYSA-N 0 0 426.567 4.901 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cc1 ZINC000009507073 569541929 /nfs/dbraw/zinc/54/19/29/569541929.db2.gz FHHLIRGFOLSTOX-UHFFFAOYSA-N 0 0 436.533 4.815 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000009508205 569542235 /nfs/dbraw/zinc/54/22/35/569542235.db2.gz XCGWSCLWNNHGEU-UHFFFAOYSA-N 0 0 430.913 4.635 50 0 IJAARN COc1cccc(Nc2nnc(SCc3cc(=O)oc4cc(OC)ccc34)s2)c1 ZINC000009509147 569542532 /nfs/dbraw/zinc/54/25/32/569542532.db2.gz YSZVZOSREAIQPO-UHFFFAOYSA-N 0 0 427.507 4.698 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009510686 569542824 /nfs/dbraw/zinc/54/28/24/569542824.db2.gz MGVKUPAFJCNSAV-NRFANRHFSA-N 0 0 432.863 4.990 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000009512765 569542962 /nfs/dbraw/zinc/54/29/62/569542962.db2.gz LAFVQOVNBVQMQE-UHFFFAOYSA-N 0 0 438.431 4.679 50 0 IJAARN O=C([C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1)N1CCOCC1 ZINC000009514441 569543210 /nfs/dbraw/zinc/54/32/10/569543210.db2.gz GBGAXFYJRNBHPN-DEOSSOPVSA-N 0 0 441.556 4.989 50 0 IJAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2Oc2ccccc2)c1C ZINC000009514851 569543264 /nfs/dbraw/zinc/54/32/64/569543264.db2.gz MJWBVTAUKKSUDN-UHFFFAOYSA-N 0 0 431.521 4.802 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 ZINC000009518355 569544051 /nfs/dbraw/zinc/54/40/51/569544051.db2.gz MMMVBGUKRIYHIB-INIZCTEOSA-N 0 0 434.370 4.701 50 0 IJAARN Cc1cc(Cl)cc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522627 569544442 /nfs/dbraw/zinc/54/44/42/569544442.db2.gz ZZHVCQXXYPHQNK-MRXNPFEDSA-N 0 0 444.940 4.742 50 0 IJAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000009532311 569545269 /nfs/dbraw/zinc/54/52/69/569545269.db2.gz FELLGJKNAMOFBA-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN COc1ccc2c(c1)n(Cc1ccc(F)cc1)c(C(=O)[O-])c2C[NH2+]CCc1cccs1 ZINC000009532565 569545353 /nfs/dbraw/zinc/54/53/53/569545353.db2.gz JGEOONVLJJRZJB-UHFFFAOYSA-N 0 0 438.524 4.929 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1c([S-])n(-c2ccc(F)cc2)c2cccc[n+]21 ZINC000009539934 569545701 /nfs/dbraw/zinc/54/57/01/569545701.db2.gz PGJDLCMLBJNOJT-UHFFFAOYSA-O 0 0 432.422 4.915 50 0 IJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCC2)cc1OC ZINC000009546348 569546244 /nfs/dbraw/zinc/54/62/44/569546244.db2.gz DCKKZOQYUZEBFC-RUZDIDTESA-N 0 0 442.600 4.861 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1)c1cccs1 ZINC000009548917 569546563 /nfs/dbraw/zinc/54/65/63/569546563.db2.gz UWPISETXAPRUPU-IBGZPJMESA-N 0 0 434.517 4.749 50 0 IJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559645 569547023 /nfs/dbraw/zinc/54/70/23/569547023.db2.gz YXPLVEBOOXETFO-PKTZIBPZSA-N 0 0 431.442 4.995 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C ZINC000009569650 569547632 /nfs/dbraw/zinc/54/76/32/569547632.db2.gz CXEMVQKFWSPPSP-UHFFFAOYSA-N 0 0 435.505 4.809 50 0 IJAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCc1ncc(-c2ccccc2)o1 ZINC000009577423 569548158 /nfs/dbraw/zinc/54/81/58/569548158.db2.gz HSBLIIFICDXZMM-MHLWUJJFSA-N 0 0 436.552 4.742 50 0 IJAARN CC(=O)N1N=C(COc2c(C)cc(Br)cc2C)O[C@@]1(C)c1ccc(F)cc1 ZINC000009585294 569549484 /nfs/dbraw/zinc/54/94/84/569549484.db2.gz HSHXCKTYWKYSFG-FQEVSTJZSA-N 0 0 435.293 4.649 50 0 IJAARN CN1CCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)CC1 ZINC000009589346 569549945 /nfs/dbraw/zinc/54/99/45/569549945.db2.gz AWELQMPUXNAVQO-UHFFFAOYSA-N 0 0 444.485 4.630 50 0 IJAARN Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)sc2cccc(F)c12 ZINC000009589156 569549965 /nfs/dbraw/zinc/54/99/65/569549965.db2.gz NNTMCPWJHVUGOG-UHFFFAOYSA-N 0 0 432.542 4.776 50 0 IJAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000070655857 569550078 /nfs/dbraw/zinc/55/00/78/569550078.db2.gz RJDLQEDUBOZJKQ-UHFFFAOYSA-N 0 0 447.589 4.599 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3csc(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000009597226 569550886 /nfs/dbraw/zinc/55/08/86/569550886.db2.gz BNBOXWLFBGESAJ-UHFFFAOYSA-N 0 0 448.592 4.672 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009598517 569551033 /nfs/dbraw/zinc/55/10/33/569551033.db2.gz KFBFLYPXRSGIFM-PKTZIBPZSA-N 0 0 432.907 4.824 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3C2=O)cc1 ZINC000009600590 569551466 /nfs/dbraw/zinc/55/14/66/569551466.db2.gz AGSUZMSIYGIZRQ-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)NCCc3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000009609404 569552303 /nfs/dbraw/zinc/55/23/03/569552303.db2.gz CREBUVSIYRECTE-UHFFFAOYSA-N 0 0 430.527 4.752 50 0 IJAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(C)cc4)c(C)n3n2)c1 ZINC000009609318 569552315 /nfs/dbraw/zinc/55/23/15/569552315.db2.gz AKWKEASJCQDRKJ-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009609527 569552352 /nfs/dbraw/zinc/55/23/52/569552352.db2.gz SJNJECNGUHWQGE-UHFFFAOYSA-N 0 0 448.910 4.967 50 0 IJAARN O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(Br)cc1 ZINC000009612191 569552873 /nfs/dbraw/zinc/55/28/73/569552873.db2.gz DKWVNOFRPKQUHP-UHFFFAOYSA-N 0 0 441.354 4.875 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000009614523 569553164 /nfs/dbraw/zinc/55/31/64/569553164.db2.gz ZPPAXNKDOHQDGI-MHZLTWQESA-N 0 0 425.459 4.986 50 0 IJAARN CCCOc1ccc(-c2csc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)n2)cc1 ZINC000009616069 569553252 /nfs/dbraw/zinc/55/32/52/569553252.db2.gz CIWUOIWQAFUJGY-UHFFFAOYSA-N 0 0 444.578 4.574 50 0 IJAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1=O ZINC000009634000 569554390 /nfs/dbraw/zinc/55/43/90/569554390.db2.gz YYIWMYBJXPKNNK-AREMUKBSSA-N 0 0 439.471 4.506 50 0 IJAARN Cc1cccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4C)nn32)c1 ZINC000009638002 569554933 /nfs/dbraw/zinc/55/49/33/569554933.db2.gz WDDMLKBXBBQOPZ-HSZRJFAPSA-N 0 0 436.519 4.885 50 0 IJAARN CCc1ccc(OCCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n32)cc1 ZINC000009640814 569555497 /nfs/dbraw/zinc/55/54/97/569555497.db2.gz GHNNSFLFUFOFNW-UHFFFAOYSA-N 0 0 440.956 4.862 50 0 IJAARN Cc1cc(OCCCSc2nc(-c3cccs3)nc3cc(=O)[nH]n32)cc(C)c1Cl ZINC000009641427 569555645 /nfs/dbraw/zinc/55/56/45/569555645.db2.gz OSSNJYORTYIJOP-UHFFFAOYSA-N 0 0 446.985 4.978 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1OC ZINC000009645831 569556185 /nfs/dbraw/zinc/55/61/85/569556185.db2.gz UTXZOSUHOBNVGZ-FQEVSTJZSA-N 0 0 439.537 4.600 50 0 IJAARN COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1C ZINC000009646542 569556349 /nfs/dbraw/zinc/55/63/49/569556349.db2.gz OUIVYQURYRVDLW-MRXNPFEDSA-N 0 0 435.549 4.634 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)cc1OC ZINC000009658098 569556552 /nfs/dbraw/zinc/55/65/52/569556552.db2.gz FXMPAXOTGZUZDA-UHFFFAOYSA-N 0 0 438.534 4.907 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1OC ZINC000009659196 569556619 /nfs/dbraw/zinc/55/66/19/569556619.db2.gz UWDHUDJHPZWTRU-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000009662776 569557120 /nfs/dbraw/zinc/55/71/20/569557120.db2.gz SJYGPJJAGIJGEW-AWEZNQCLSA-N 0 0 445.947 4.671 50 0 IJAARN CC(=O)c1ccc(N2C(=O)N(Cc3ccc(C)cc3C)c3ccccc3S2(=O)=O)cc1 ZINC000009663751 569557284 /nfs/dbraw/zinc/55/72/84/569557284.db2.gz HCZIZQWUJVLYJY-UHFFFAOYSA-N 0 0 434.517 4.842 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664228 569557360 /nfs/dbraw/zinc/55/73/60/569557360.db2.gz JBMXUAIHJMQTRH-IBGZPJMESA-N 0 0 442.562 4.722 50 0 IJAARN CCCn1c(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)nnc1-c1ccncc1 ZINC000009669414 569558016 /nfs/dbraw/zinc/55/80/16/569558016.db2.gz VBFDVMWZQKUFFJ-UHFFFAOYSA-N 0 0 437.491 4.706 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1OC ZINC000009671017 569558451 /nfs/dbraw/zinc/55/84/51/569558451.db2.gz UGKPVXRBFBTKLA-INIZCTEOSA-N 0 0 442.610 4.888 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)OCC(=O)c1ccc[nH]1 ZINC000009672147 569558724 /nfs/dbraw/zinc/55/87/24/569558724.db2.gz IRTVYKPEDZHQAR-UHFFFAOYSA-N 0 0 439.924 4.584 50 0 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/nfs/dbraw/zinc/56/22/61/569562261.db2.gz FYYDUOCTWVOBOO-NRFANRHFSA-N 0 0 437.883 4.648 50 0 IJAARN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009712904 569562353 /nfs/dbraw/zinc/56/23/53/569562353.db2.gz SHPASTPLXGHJDY-LLVKDONJSA-N 0 0 429.386 4.646 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009717014 569563291 /nfs/dbraw/zinc/56/32/91/569563291.db2.gz NKSZHFZTLHEFPI-DEOSSOPVSA-N 0 0 429.520 4.769 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009727040 569563905 /nfs/dbraw/zinc/56/39/05/569563905.db2.gz NIDNIKGCAYAXQH-SFHVURJKSA-N 0 0 444.380 4.621 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000009744158 569565562 /nfs/dbraw/zinc/56/55/62/569565562.db2.gz OTJAKPMUXGHTNP-UHFFFAOYSA-N 0 0 449.945 4.575 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000009751707 569566083 /nfs/dbraw/zinc/56/60/83/569566083.db2.gz DOQWVAWXFVQUJX-UHFFFAOYSA-N 0 0 429.448 4.562 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1C ZINC000009751778 569566091 /nfs/dbraw/zinc/56/60/91/569566091.db2.gz XRPVFDJQFDBDJD-UHFFFAOYSA-N 0 0 425.485 4.731 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000009751658 569566125 /nfs/dbraw/zinc/56/61/25/569566125.db2.gz ZBRWPPYJZXUKHJ-UHFFFAOYSA-N 0 0 425.485 4.731 50 0 IJAARN O=C(CSc1nnc(Nc2ccc(F)cc2)s1)Nc1ccccc1N1CCCC1 ZINC000009754762 569566134 /nfs/dbraw/zinc/56/61/34/569566134.db2.gz GOIBUXOEPUGVDY-UHFFFAOYSA-N 0 0 429.546 4.752 50 0 IJAARN COc1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC ZINC000009752558 569566172 /nfs/dbraw/zinc/56/61/72/569566172.db2.gz URSRDEPFDCHUMQ-UHFFFAOYSA-N 0 0 447.560 4.650 50 0 IJAARN COc1ccc(NC(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009762719 569566477 /nfs/dbraw/zinc/56/64/77/569566477.db2.gz NYKMUKAEFORYAX-UHFFFAOYSA-N 0 0 431.901 4.793 50 0 IJAARN CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 ZINC000009763299 569566625 /nfs/dbraw/zinc/56/66/25/569566625.db2.gz 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Cc1ccnc(SCc2cc(=O)c(OC(=O)C(c3ccccc3)c3ccccc3)co2)n1 ZINC000009829295 569569997 /nfs/dbraw/zinc/56/99/97/569569997.db2.gz ZLJUCUWYKOISBN-UHFFFAOYSA-N 0 0 444.512 4.768 50 0 IJAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)Cc3cccc4ccccc43)co2)n1 ZINC000009829293 569570027 /nfs/dbraw/zinc/57/00/27/569570027.db2.gz UMJABSLDKZXQGS-UHFFFAOYSA-N 0 0 432.501 4.640 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccccc1)Nc1ccccc1 ZINC000009834429 569570590 /nfs/dbraw/zinc/57/05/90/569570590.db2.gz GQULOIMCCFPYRP-UHFFFAOYSA-N 0 0 441.512 4.922 50 0 IJAARN CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000009847434 569571108 /nfs/dbraw/zinc/57/11/08/569571108.db2.gz NSXOSCGHKIFRSK-UHFFFAOYSA-N 0 0 435.476 4.836 50 0 IJAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)N1CCCCCC1 ZINC000009847485 569571116 /nfs/dbraw/zinc/57/11/16/569571116.db2.gz OWTPIZWEKFUVDX-GOSISDBHSA-N 0 0 438.572 4.880 50 0 IJAARN COc1cc2ncc(C(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccccc3)c2cc1OC ZINC000009847415 569571133 /nfs/dbraw/zinc/57/11/33/569571133.db2.gz ZAMUUMWOYJMYGO-UHFFFAOYSA-N 0 0 447.512 4.624 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1-c1cccc(C)c1 ZINC000009847667 569571216 /nfs/dbraw/zinc/57/12/16/569571216.db2.gz ZWKKYXNFQSSYHK-UHFFFAOYSA-N 0 0 435.597 4.995 50 0 IJAARN CCCCn1nnnc1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000009864029 569572087 /nfs/dbraw/zinc/57/20/87/569572087.db2.gz MCTZIALNIGZRJF-UHFFFAOYSA-N 0 0 439.976 4.726 50 0 IJAARN Cc1oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)ccc2c(=O)c1Oc1ccccc1 ZINC000009876625 569572655 /nfs/dbraw/zinc/57/26/55/569572655.db2.gz KGIZRYJPTCCILZ-UHFFFAOYSA-N 0 0 445.427 4.640 50 0 IJAARN Cc1ccc(C(=O)n2nc(NCc3ccc(F)cc3)nc2NCc2ccc(F)cc2)cc1 ZINC000009907517 569573106 /nfs/dbraw/zinc/57/31/06/569573106.db2.gz CTGUHBSDBLOKGQ-UHFFFAOYSA-N 0 0 433.462 4.777 50 0 IJAARN O=C(c1ccccc1Cl)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907561 569573183 /nfs/dbraw/zinc/57/31/83/569573183.db2.gz VVVSSZMBAMWPBF-UHFFFAOYSA-N 0 0 429.958 4.967 50 0 IJAARN C[C@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)Nc1ccc(F)cc1 ZINC000009933742 569573740 /nfs/dbraw/zinc/57/37/40/569573740.db2.gz XFBUILPHCOPRTR-INIZCTEOSA-N 0 0 443.486 4.937 50 0 IJAARN Cc1ccc(-c2nc(NCc3cccs3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000009934888 569573827 /nfs/dbraw/zinc/57/38/27/569573827.db2.gz ZIIFOOYZURUOFE-UHFFFAOYSA-N 0 0 444.969 4.818 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3)c2=O)CCCC4)cc1 ZINC000009937801 569573854 /nfs/dbraw/zinc/57/38/54/569573854.db2.gz CSVIMWYUUNUTAE-UHFFFAOYSA-N 0 0 446.572 4.848 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1ccc(F)cc1 ZINC000009940804 569573937 /nfs/dbraw/zinc/57/39/37/569573937.db2.gz CTEHPJLHYFUZFF-UHFFFAOYSA-N 0 0 436.516 4.783 50 0 IJAARN COC(=O)c1cc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)ccc1OC ZINC000009950361 569574370 /nfs/dbraw/zinc/57/43/70/569574370.db2.gz OZWHVDVIXCYPEY-UHFFFAOYSA-N 0 0 445.471 4.737 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)nc2c1 ZINC000009951721 569574477 /nfs/dbraw/zinc/57/44/77/569574477.db2.gz UDRJRMCEIHKEDT-FQEVSTJZSA-N 0 0 427.526 4.770 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCCC2)cc1 ZINC000009951585 569574483 /nfs/dbraw/zinc/57/44/83/569574483.db2.gz GLEFMKNARKIYCY-SFHVURJKSA-N 0 0 427.595 4.756 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000071326436 569574835 /nfs/dbraw/zinc/57/48/35/569574835.db2.gz KZSWVXSJZFFUOI-UHFFFAOYSA-N 0 0 427.961 4.514 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000009958347 569574858 /nfs/dbraw/zinc/57/48/58/569574858.db2.gz OGNNHFBOJHOXCW-MHECFPHRSA-N 0 0 448.519 4.610 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(C)c3)c2=O)c1 ZINC000009959560 569575155 /nfs/dbraw/zinc/57/51/55/569575155.db2.gz DOSRFBJAVRMZCG-UHFFFAOYSA-N 0 0 428.513 4.732 50 0 IJAARN CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3)c2=O)cc1 ZINC000009959584 569575181 /nfs/dbraw/zinc/57/51/81/569575181.db2.gz MRTGJNIVJIRAMA-UHFFFAOYSA-N 0 0 428.513 4.814 50 0 IJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCC2)c1 ZINC000009959752 569575207 /nfs/dbraw/zinc/57/52/07/569575207.db2.gz XOCLNGFXXVWVDD-UHFFFAOYSA-N 0 0 438.952 4.757 50 0 IJAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)cc1 ZINC000009959814 569575228 /nfs/dbraw/zinc/57/52/28/569575228.db2.gz NZIZAAUASYBYOY-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1cccc(C(F)(F)F)c1 ZINC000071327938 569575430 /nfs/dbraw/zinc/57/54/30/569575430.db2.gz PFXPPWRWDXZPQR-UHFFFAOYSA-N 0 0 429.442 4.636 50 0 IJAARN COc1ccc(OC)c(CC[NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])c1 ZINC000009968980 569575973 /nfs/dbraw/zinc/57/59/73/569575973.db2.gz IBOYYIPPCWYTJM-UHFFFAOYSA-N 0 0 444.531 4.737 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2cc1OC ZINC000009969524 569576078 /nfs/dbraw/zinc/57/60/78/569576078.db2.gz HZAXWHNBLVIJLR-UHFFFAOYSA-N 0 0 434.517 4.697 50 0 IJAARN Cc1cc2c(nc(SCC(=O)Nc3ccccc3Cl)n(Cc3ccco3)c2=O)s1 ZINC000009970675 569576197 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COc1cccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)c1 ZINC000010085029 569577721 /nfs/dbraw/zinc/57/77/21/569577721.db2.gz WTIXKPBKUJBRMY-QGZVFWFLSA-N 0 0 445.544 4.822 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000010188118 569578812 /nfs/dbraw/zinc/57/88/12/569578812.db2.gz JETPAVWTGBAKMF-UHFFFAOYSA-N 0 0 425.822 4.629 50 0 IJAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337113 569581201 /nfs/dbraw/zinc/58/12/01/569581201.db2.gz CBRPUTDLGOPJBF-SFTDATJTSA-N 0 0 449.301 4.935 50 0 IJAARN O=C(Cc1ccc(F)cc1)N(CCCn1ccnc1)c1nc2c(cccc2Cl)s1 ZINC000010337707 569581374 /nfs/dbraw/zinc/58/13/74/569581374.db2.gz ZMISYTMZQZOGFK-UHFFFAOYSA-N 0 0 428.920 4.951 50 0 IJAARN Cc1cc(C)cc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 ZINC000010368651 569581509 /nfs/dbraw/zinc/58/15/09/569581509.db2.gz NDHVKAQPTKDZHT-GOSISDBHSA-N 0 0 435.593 4.932 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1ccccc1)Nc1ccccc1F ZINC000010433756 569582158 /nfs/dbraw/zinc/58/21/58/569582158.db2.gz MTOOZUKDTBXYGK-UHFFFAOYSA-N 0 0 439.537 4.571 50 0 IJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000010512880 569582645 /nfs/dbraw/zinc/58/26/45/569582645.db2.gz JPRCOTYAOYVBDX-CQSZACIVSA-N 0 0 444.940 4.678 50 0 IJAARN O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1cc(Br)ccc1Cl ZINC000077101174 569585528 /nfs/dbraw/zinc/58/55/28/569585528.db2.gz SFUGPXAJPZIVFU-UHFFFAOYSA-N 0 0 448.670 4.761 50 0 IJAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177406 569585755 /nfs/dbraw/zinc/58/57/55/569585755.db2.gz MGXZNWHLJVOSMG-IBGZPJMESA-N 0 0 447.539 4.609 50 0 IJAARN O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077200910 569586531 /nfs/dbraw/zinc/58/65/31/569586531.db2.gz GEZDQNOJGOYOHT-UHFFFAOYSA-N 0 0 446.425 4.614 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253598817 291392435 /nfs/dbraw/zinc/39/24/35/291392435.db2.gz FWCXELAAYFYCSR-UIBIBRDPSA-N 0 0 432.645 4.765 50 0 biogenic,in-vitro IJAARN Cc1ccc(S(=O)(=O)c2c(N)n([C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000000636272 193865685 /nfs/dbraw/zinc/86/56/85/193865685.db2.gz OHVACOWYDDFIAC-QGZVFWFLSA-N 0 0 442.544 4.917 50 0 IJAARN COc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c(OC)c1 ZINC000000641444 193867778 /nfs/dbraw/zinc/86/77/78/193867778.db2.gz UISWHRHQQWALGQ-UHFFFAOYSA-N 0 0 431.080 4.840 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1-c1ccccc1)Nc1ccccc1 ZINC000009834193 193900820 /nfs/dbraw/zinc/90/08/20/193900820.db2.gz CRFALYCBRNSVHI-UHFFFAOYSA-N 0 0 427.485 4.863 50 0 IJAARN Cc1cc(NC(=O)c2ccc(Br)cc2)c(C)cc1I ZINC000009849574 193907119 /nfs/dbraw/zinc/90/71/19/193907119.db2.gz QRWWVXKPPABBTC-UHFFFAOYSA-N 0 0 430.083 4.923 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc(OCC)c1OCC ZINC000000849422 132231566 /nfs/dbraw/zinc/23/15/66/132231566.db2.gz VBOOUDVKVICNFA-UHFFFAOYSA-N 0 0 448.947 4.625 50 0 IJAARN COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000001152059 132237657 /nfs/dbraw/zinc/23/76/57/132237657.db2.gz MMOVUMKQGSPGKF-UHFFFAOYSA-N 0 0 435.373 4.562 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)cc1Cl ZINC000010186627 132243125 /nfs/dbraw/zinc/24/31/25/132243125.db2.gz PHCXLLGSNXANAT-UHFFFAOYSA-N 0 0 429.307 4.539 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(Cl)ccc1Cl ZINC000010186628 132243198 /nfs/dbraw/zinc/24/31/98/132243198.db2.gz GOPWRJHHRUJLIR-UHFFFAOYSA-N 0 0 429.307 4.539 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1C ZINC000010220786 132243864 /nfs/dbraw/zinc/24/38/64/132243864.db2.gz CUCLLFYBBWLNJN-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000002694024 132256257 /nfs/dbraw/zinc/25/62/57/132256257.db2.gz GIHCNFVNYRUVCR-UHFFFAOYSA-N 0 0 447.535 4.533 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc(C)nc(N3CCCC[C@@H]3C)c12 ZINC000002924432 132258873 /nfs/dbraw/zinc/25/88/73/132258873.db2.gz HTEIHXLKWUZVPT-KRWDZBQOSA-N 0 0 449.624 4.649 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926862 132259041 /nfs/dbraw/zinc/25/90/41/132259041.db2.gz CSQUNSHYBAPDLY-UHFFFAOYSA-N 0 0 443.576 4.730 50 0 IJAARN O=C(NC1CC1)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003059400 132261483 /nfs/dbraw/zinc/26/14/83/132261483.db2.gz YCVSQXAWCQFBAW-BUVRLJJBSA-N 0 0 428.463 4.685 50 0 IJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3cncc(Br)c3)cc12 ZINC000003648806 132266891 /nfs/dbraw/zinc/26/68/91/132266891.db2.gz QJPMMRZKNJILLE-UHFFFAOYSA-N 0 0 425.330 4.943 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1Cl ZINC000004109608 132269667 /nfs/dbraw/zinc/26/96/67/132269667.db2.gz MLSJRXCETXEQCG-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004117572 132270043 /nfs/dbraw/zinc/27/00/43/132270043.db2.gz SNPHNXJMRUKHHA-DEOSSOPVSA-N 0 0 438.543 4.722 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)c1 ZINC000004121900 132270453 /nfs/dbraw/zinc/27/04/53/132270453.db2.gz RTYMACYFXQSDTE-UHFFFAOYSA-N 0 0 439.968 4.925 50 0 IJAARN C[C@H](Nc1nc(N2CCN(C(=O)C3CCCC3)CC2)nc2ccccc21)c1ccccc1 ZINC000004727353 132272966 /nfs/dbraw/zinc/27/29/66/132272966.db2.gz JYEIISOLXADLNZ-IBGZPJMESA-N 0 0 429.568 4.642 50 0 IJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)CCc2ccccc2)CC1 ZINC000006740455 132278685 /nfs/dbraw/zinc/27/86/85/132278685.db2.gz ADYBQLPYLTVUMK-UHFFFAOYSA-N 0 0 428.580 4.604 50 0 IJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)c2ccccc2O1 ZINC000006846817 132279775 /nfs/dbraw/zinc/27/97/75/132279775.db2.gz NKVYJVMRDBRANW-OAQYLSRUSA-N 0 0 425.573 4.503 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C2CCCC2)c1C ZINC000007140196 132280213 /nfs/dbraw/zinc/28/02/13/132280213.db2.gz QSKLWAGEBHSNSC-GOSISDBHSA-N 0 0 428.602 4.571 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000008133174 132280954 /nfs/dbraw/zinc/28/09/54/132280954.db2.gz BSKAJVRWTLRACS-OAQYLSRUSA-N 0 0 429.564 4.649 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000008590340 132283711 /nfs/dbraw/zinc/28/37/11/132283711.db2.gz WDAMKLAQRDIPDH-UHFFFAOYSA-N 0 0 444.000 4.519 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000008596308 132285091 /nfs/dbraw/zinc/28/50/91/132285091.db2.gz PWFIZLVGIMHGCQ-GOSISDBHSA-N 0 0 445.498 4.841 50 0 IJAARN CC[C@H]1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c2cc(Cl)ccc2O1 ZINC000008619201 132288866 /nfs/dbraw/zinc/28/88/66/132288866.db2.gz HYZPEODLQUDOAY-KRWDZBQOSA-N 0 0 432.929 4.978 50 0 aggregator IJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008685397 132290209 /nfs/dbraw/zinc/29/02/09/132290209.db2.gz RUWWJUPJFHLVBO-DEOSSOPVSA-N 0 0 447.966 4.550 50 0 IJAARN Cc1cccc(N2CCN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]2C)c1 ZINC000008687853 132290556 /nfs/dbraw/zinc/29/05/56/132290556.db2.gz 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COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cc1 ZINC000009427050 132316659 /nfs/dbraw/zinc/31/66/59/132316659.db2.gz SFAZYEUUQZBSOA-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000009487676 132319264 /nfs/dbraw/zinc/31/92/64/132319264.db2.gz YIJITDIIDABSIO-IBGZPJMESA-N 0 0 447.535 4.672 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000009491696 132319337 /nfs/dbraw/zinc/31/93/37/132319337.db2.gz NNWOUOOPYNHSJQ-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c(C)c1 ZINC000009529550 132320626 /nfs/dbraw/zinc/32/06/26/132320626.db2.gz TZHRYZLQQINEIK-UHFFFAOYSA-N 0 0 436.581 4.860 50 0 IJAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 ZINC000009573356 132321921 /nfs/dbraw/zinc/32/19/21/132321921.db2.gz WFYKKBJBVWCNCA-IBGZPJMESA-N 0 0 431.540 4.925 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc12 ZINC000009598015 132322801 /nfs/dbraw/zinc/32/28/01/132322801.db2.gz XURBUTXSQOINKP-UHFFFAOYSA-N 0 0 436.600 4.901 50 0 IJAARN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12 ZINC000009598427 132322872 /nfs/dbraw/zinc/32/28/72/132322872.db2.gz BEYXWVAOMKNFQW-ROUUACIJSA-N 0 0 448.567 4.654 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCC[C@@H](C)C3)cc12 ZINC000009598028 132322884 /nfs/dbraw/zinc/32/28/84/132322884.db2.gz GBGDVNHLDAYQQU-LJQANCHMSA-N 0 0 436.600 4.757 50 0 IJAARN C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009632303 132323929 /nfs/dbraw/zinc/32/39/29/132323929.db2.gz OUXZFKBEHRUNLE-MRXNPFEDSA-N 0 0 432.549 4.661 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000009632618 132323944 /nfs/dbraw/zinc/32/39/44/132323944.db2.gz NKAJAIWVQREDMO-UHFFFAOYSA-N 0 0 439.339 4.880 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009645202 132324789 /nfs/dbraw/zinc/32/47/89/132324789.db2.gz LJQDPYOXAAGFAP-HXUWFJFHSA-N 0 0 445.573 4.635 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCc3ccccc3)C2=O)cc1 ZINC000009692919 132326183 /nfs/dbraw/zinc/32/61/83/132326183.db2.gz BEETXQCEKCRPNS-NTKDMRAZSA-N 0 0 430.573 4.955 50 0 IJAARN Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCC(=O)N2CCCC2)c1 ZINC000009847275 132329984 /nfs/dbraw/zinc/32/99/84/132329984.db2.gz MFYRWZMPSXKIMS-SANMLTNESA-N 0 0 441.531 4.767 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009867282 132330531 /nfs/dbraw/zinc/33/05/31/132330531.db2.gz CKGDTFQRBSHOAB-NRFANRHFSA-N 0 0 446.507 4.665 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009949362 132332563 /nfs/dbraw/zinc/33/25/63/132332563.db2.gz RNYGUHSEEACWHZ-VWLOTQADSA-N 0 0 440.543 4.625 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)CC2)cc1 ZINC000010078321 132334569 /nfs/dbraw/zinc/33/45/69/132334569.db2.gz BYMYYIHXNCHWMW-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000013069374 132344046 /nfs/dbraw/zinc/34/40/46/132344046.db2.gz ZXJILLBLYLEDEU-QGZVFWFLSA-N 0 0 444.000 4.913 50 0 IJAARN Cn1c2cc(NC(=O)Nc3ccccc3C(F)(F)F)c(N3CCCCC3)cc2n(C)c1=O ZINC000013364611 132346550 /nfs/dbraw/zinc/34/65/50/132346550.db2.gz FRZZDCRUKOSQNN-UHFFFAOYSA-N 0 0 447.461 4.530 50 0 IJAARN FC(F)(F)c1cnc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000013469184 132347037 /nfs/dbraw/zinc/34/70/37/132347037.db2.gz NMKWVYJOSUCUMV-UHFFFAOYSA-N 0 0 435.302 4.926 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583633 132351023 /nfs/dbraw/zinc/35/10/23/132351023.db2.gz WVRTWLCOOCFMOI-HXUWFJFHSA-N 0 0 448.588 4.579 50 0 IJAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1Cl ZINC000014195379 132356635 /nfs/dbraw/zinc/35/66/35/132356635.db2.gz IFMKYUFMIDFGSL-UHFFFAOYSA-N 0 0 443.172 4.517 50 0 IJAARN CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncc(Cl)n1C ZINC000015755159 517449312 /nfs/dbraw/zinc/44/93/12/517449312.db2.gz GSEPSIKHKLGNLG-UHFFFAOYSA-N 0 0 441.384 4.544 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000011865483 517762078 /nfs/dbraw/zinc/76/20/78/517762078.db2.gz IYBSTHMSWBMYDF-MWTRTKDXSA-N 0 0 437.492 4.656 50 0 IJAARN COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OCc1ccncc1 ZINC000024749166 518144695 /nfs/dbraw/zinc/14/46/95/518144695.db2.gz OOHURGLSKPQPAJ-RUZDIDTESA-N 0 0 448.519 4.568 50 0 IJAARN O=C(CSc1ccc(Br)cc1)Nc1ccc(I)cc1 ZINC000015019144 518198812 /nfs/dbraw/zinc/19/88/12/518198812.db2.gz HTYAWAVZDMWMRR-UHFFFAOYSA-N 0 0 448.123 4.785 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1C ZINC000012780666 518229542 /nfs/dbraw/zinc/22/95/42/518229542.db2.gz AOBTXBYDSGYMTL-UHFFFAOYSA-N 0 0 445.928 4.986 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000022524686 518375409 /nfs/dbraw/zinc/37/54/09/518375409.db2.gz GOLQLJBHWJRHNH-OAHLLOKOSA-N 0 0 440.546 4.822 50 0 IJAARN CC(=O)c1sc(NC(=O)C=Cc2ccc(C(=O)NC3CC3)cc2)nc1-c1ccccc1 ZINC000012908638 518496493 /nfs/dbraw/zinc/49/64/93/518496493.db2.gz INENFRSTPSAOAU-NTEUORMPSA-N 0 0 431.517 4.557 50 0 IJAARN CC(C)(C)C(=O)NCCCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000012920820 518580281 /nfs/dbraw/zinc/58/02/81/518580281.db2.gz LGBQCDXIKNZRDH-UHFFFAOYSA-N 0 0 428.385 4.922 50 0 IJAARN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)COc1ccc(Cl)cc1Cl ZINC000012370077 518747616 /nfs/dbraw/zinc/74/76/16/518747616.db2.gz QMVOXAWPEHZFSI-DAYGRLMNSA-N 0 0 441.399 4.694 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(F)cc4)[nH]c(=O)c23)C1 ZINC000021882541 518979524 /nfs/dbraw/zinc/97/95/24/518979524.db2.gz VITXIYNFHAZASP-ZDUSSCGKSA-N 0 0 427.545 4.846 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000035552903 519014479 /nfs/dbraw/zinc/01/44/79/519014479.db2.gz RGLGDVLREMRYNB-UHFFFAOYSA-N 0 0 430.552 4.874 50 0 IJAARN CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)cc1 ZINC000012492540 519034238 /nfs/dbraw/zinc/03/42/38/519034238.db2.gz CCBIDGAWFNBRHE-UHFFFAOYSA-N 0 0 432.545 4.989 50 0 IJAARN CC(=O)NC(=Cc1ccccc1)C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000021763263 519480385 /nfs/dbraw/zinc/48/03/85/519480385.db2.gz ZMTRVGJGMDGJKH-OGRZUZBBSA-N 0 0 427.500 4.948 50 0 IJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccc(F)c2)c1 ZINC000035945096 519522334 /nfs/dbraw/zinc/52/23/34/519522334.db2.gz KUQRUIOLRFLLJZ-UHFFFAOYSA-N 0 0 437.515 4.922 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000021858387 519660002 /nfs/dbraw/zinc/66/00/02/519660002.db2.gz JFIRYLUWRBOTRG-RUZDIDTESA-N 0 0 437.971 4.872 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc(C(C)C)cc3)n2)o1 ZINC000040131949 519674321 /nfs/dbraw/zinc/67/43/21/519674321.db2.gz PUMIXVYBZMTJEV-UHFFFAOYSA-N 0 0 429.567 4.893 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000033037307 519701788 /nfs/dbraw/zinc/70/17/88/519701788.db2.gz ZIRHFFUGAPNPAP-UHFFFAOYSA-N 0 0 434.515 4.817 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033283500 519722028 /nfs/dbraw/zinc/72/20/28/519722028.db2.gz PSOCIYREMYWLJK-UHFFFAOYSA-N 0 0 447.539 4.503 50 0 IJAARN CC(C)OC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1c(F)cccc1Cl ZINC000012856440 519742503 /nfs/dbraw/zinc/74/25/03/519742503.db2.gz NHUDJHCMSBGQSB-MRXNPFEDSA-N 0 0 445.899 4.700 50 0 IJAARN CC(C)S(=O)(=O)c1ncc(CN(C)[C@H](C)c2cccs2)n1Cc1ccccc1F ZINC000012434386 519787194 /nfs/dbraw/zinc/78/71/94/519787194.db2.gz URWRHWFBQVCEKD-MRXNPFEDSA-N 0 0 435.590 4.507 50 0 IJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936021 519806499 /nfs/dbraw/zinc/80/64/99/519806499.db2.gz YUDLSQWMIYGFDM-UGSOOPFHSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)[C@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)c1cccs1 ZINC000032995439 519818286 /nfs/dbraw/zinc/81/82/86/519818286.db2.gz ILVCTHGOFLWEGA-IBGZPJMESA-N 0 0 446.573 4.827 50 0 IJAARN CCCC(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849125 519869330 /nfs/dbraw/zinc/86/93/30/519869330.db2.gz FFUJMDKCWSVTMF-UHFFFAOYSA-N 0 0 448.636 4.804 50 0 IJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C[C@H]1CCCO1)C(=O)C1CCCC1 ZINC000035972289 519881809 /nfs/dbraw/zinc/88/18/09/519881809.db2.gz CWJSXNWFHNYOMH-JOCHJYFZSA-N 0 0 438.616 4.760 50 0 IJAARN CCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035723835 519932948 /nfs/dbraw/zinc/93/29/48/519932948.db2.gz BIJUUDZRTINEAZ-FQEVSTJZSA-N 0 0 436.581 4.760 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC000012905359 520223204 /nfs/dbraw/zinc/22/32/04/520223204.db2.gz LSKVQYJXXSKIDD-UHFFFAOYSA-N 0 0 435.377 4.849 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1OCCC ZINC000011916583 520318080 /nfs/dbraw/zinc/31/80/80/520318080.db2.gz UENUFQRDTYFLPO-UHFFFAOYSA-N 0 0 425.485 4.965 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C ZINC000012731544 520353253 /nfs/dbraw/zinc/35/32/53/520353253.db2.gz NKMVRMAODYYNBL-UHFFFAOYSA-N 0 0 433.842 4.682 50 0 IJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1 ZINC000020946811 520431534 /nfs/dbraw/zinc/43/15/34/520431534.db2.gz ZJGOBHOHMKRRPJ-UHFFFAOYSA-N 0 0 437.974 4.623 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000000754440 520492915 /nfs/dbraw/zinc/49/29/15/520492915.db2.gz MNQJPTIIVOHXOE-INIZCTEOSA-N 0 0 428.794 4.810 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3cc4ccc(OC)c(Cl)c4nc3s2)CC1 ZINC000021087579 520569701 /nfs/dbraw/zinc/56/97/01/520569701.db2.gz YMBRPRDCEBBHAF-UHFFFAOYSA-N 0 0 432.929 4.527 50 0 IJAARN CCCSc1nnc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)s1 ZINC000012858570 520571547 /nfs/dbraw/zinc/57/15/47/520571547.db2.gz DLMARHOKMQLYPY-UHFFFAOYSA-N 0 0 428.568 4.546 50 0 IJAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc21 ZINC000032986541 520614250 /nfs/dbraw/zinc/61/42/50/520614250.db2.gz KEHZQLSUYMCKDS-UHFFFAOYSA-N 0 0 441.487 4.660 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OC ZINC000012757698 520616408 /nfs/dbraw/zinc/61/64/08/520616408.db2.gz FVRQQGZTIAUODD-IENJSVCTSA-N 0 0 442.943 4.638 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716105 520634613 /nfs/dbraw/zinc/63/46/13/520634613.db2.gz HWVNSTLELVTWKY-NFBKMPQASA-N 0 0 443.538 4.852 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035867290 520635069 /nfs/dbraw/zinc/63/50/69/520635069.db2.gz DOSCPZFOEYEYNG-SJORKVTESA-N 0 0 443.661 4.961 50 0 IJAARN CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)N1 ZINC000000679477 520799993 /nfs/dbraw/zinc/79/99/93/520799993.db2.gz BLIRNJHYQVDYKM-JOCHJYFZSA-N 0 0 449.595 4.932 50 0 IJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000012441057 520808553 /nfs/dbraw/zinc/80/85/53/520808553.db2.gz IUPQMXHZVXMQRF-UHFFFAOYSA-N 0 0 445.441 4.747 50 0 IJAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H](C)CC)cc3N(C)C2=O)cc1OC ZINC000020736051 520849225 /nfs/dbraw/zinc/84/92/25/520849225.db2.gz MHWZRMKKGZYESJ-NSMHLIOHSA-N 0 0 440.565 4.732 50 0 IJAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000012554098 520921003 /nfs/dbraw/zinc/92/10/03/520921003.db2.gz JPVZIMHVYRLXCF-HZPDHXFCSA-N 0 0 442.560 4.791 50 0 IJAARN CCOc1ccc(CCn2c3nc(C)cc(C(F)F)c3c(=O)[nH]c2=S)cc1OCC ZINC000036617314 520956176 /nfs/dbraw/zinc/95/61/76/520956176.db2.gz PPBRKCAOJXBWTB-UHFFFAOYSA-N 0 0 435.496 4.740 50 0 IJAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3Cl)c3ccccc32)CC1 ZINC000017245882 520981724 /nfs/dbraw/zinc/98/17/24/520981724.db2.gz BQESNSADRGTWPL-UHFFFAOYSA-N 0 0 444.984 4.527 50 0 IJAARN CCOc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 ZINC000020943330 520996475 /nfs/dbraw/zinc/99/64/75/520996475.db2.gz RWDLTVRWRWLWLV-UHFFFAOYSA-N 0 0 428.536 4.928 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000011866270 521034152 /nfs/dbraw/zinc/03/41/52/521034152.db2.gz ONIAAMBJPDTGAT-CYBMUJFWSA-N 0 0 431.282 4.861 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856869 521041560 /nfs/dbraw/zinc/04/15/60/521041560.db2.gz AAFASKBIUVQODX-SANMLTNESA-N 0 0 431.536 4.518 50 0 IJAARN CC1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)CC1 ZINC000012553528 521044047 /nfs/dbraw/zinc/04/40/47/521044047.db2.gz RVJUTSNTFLZLMH-QHCPKHFHSA-N 0 0 447.604 4.964 50 0 IJAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3F)o2)cc1OCC ZINC000021594351 521064983 /nfs/dbraw/zinc/06/49/83/521064983.db2.gz MTCFUTISMJMBAN-UHFFFAOYSA-N 0 0 427.428 4.679 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)Cc1ccco1 ZINC000036044824 521087191 /nfs/dbraw/zinc/08/71/91/521087191.db2.gz UFEYRAGNXRPXLI-UHFFFAOYSA-N 0 0 446.482 4.649 50 0 IJAARN CCC(=O)N(CCc1ccc(F)cc1)Cc1cc2cccc(C)c2nc1N1CCC[C@@H](O)C1 ZINC000012121927 521088558 /nfs/dbraw/zinc/08/85/58/521088558.db2.gz PAWPOQRRBFWULE-XMMPIXPASA-N 0 0 449.570 4.625 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)s1)C1CC1 ZINC000012915272 521092254 /nfs/dbraw/zinc/09/22/54/521092254.db2.gz CVLLBXXXYXCOOF-UHFFFAOYSA-N 0 0 446.598 4.615 50 0 IJAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O ZINC000022240408 521123424 /nfs/dbraw/zinc/12/34/24/521123424.db2.gz DUSPPCSWQPNJGH-QHCPKHFHSA-N 0 0 425.435 4.757 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1 ZINC000012557191 521132153 /nfs/dbraw/zinc/13/21/53/521132153.db2.gz JBDBCAJRBMDRIL-UHFFFAOYSA-N 0 0 442.562 4.689 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000014794181 521183979 /nfs/dbraw/zinc/18/39/79/521183979.db2.gz JEKLPQMQGKEQHG-UHFFFAOYSA-N 0 0 430.460 4.502 50 0 IJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000015863793 521203547 /nfs/dbraw/zinc/20/35/47/521203547.db2.gz BKGAIPGUGWNLBI-UHFFFAOYSA-N 0 0 430.483 4.571 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CC[C@@H](C)C3 ZINC000035866379 521312860 /nfs/dbraw/zinc/31/28/60/521312860.db2.gz PFVJOFJDWKKGCA-MRXNPFEDSA-N 0 0 438.597 4.714 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000021758901 521326227 /nfs/dbraw/zinc/32/62/27/521326227.db2.gz NZFOLUWNCBOXBX-UHFFFAOYSA-N 0 0 426.538 4.710 50 0 IJAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000035527355 521332443 /nfs/dbraw/zinc/33/24/43/521332443.db2.gz SKWOOCRYEWRWIH-NDEPHWFRSA-N 0 0 442.559 4.667 50 0 IJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(SCc2cscn2)cc1 ZINC000012910257 521332908 /nfs/dbraw/zinc/33/29/08/521332908.db2.gz IRTDQJFSUYBEQF-UHFFFAOYSA-N 0 0 426.563 4.869 50 0 IJAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(C(C)=O)s2)C1 ZINC000012298656 521355722 /nfs/dbraw/zinc/35/57/22/521355722.db2.gz NTABRVYRTJHUDO-QFIPXVFZSA-N 0 0 433.957 4.632 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(C)cc2)c1C ZINC000015862515 521384750 /nfs/dbraw/zinc/38/47/50/521384750.db2.gz IDJIHIFTYRTDRH-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1nc(-c2ccnn2C)cs1 ZINC000036616510 521396678 /nfs/dbraw/zinc/39/66/78/521396678.db2.gz CJDOYCWJTICUCO-UHFFFAOYSA-N 0 0 435.557 4.527 50 0 IJAARN CCCc1ccc([C@H](NC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)cc1 ZINC000024648310 521418975 /nfs/dbraw/zinc/41/89/75/521418975.db2.gz MOUDSXWCZIINBD-VWLOTQADSA-N 0 0 434.561 4.722 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)NC3CCCC3)cc2)n1 ZINC000023425462 521422065 /nfs/dbraw/zinc/42/20/65/521422065.db2.gz KUOWESQHMSOIAT-UHFFFAOYSA-N 0 0 431.536 4.951 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)cc1 ZINC000021530463 521498983 /nfs/dbraw/zinc/49/89/83/521498983.db2.gz YOGMKNLEHJFNTI-FQEVSTJZSA-N 0 0 434.517 4.651 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1CC ZINC000023119009 521530568 /nfs/dbraw/zinc/53/05/68/521530568.db2.gz VMVPDQOHGXLZTE-UHFFFAOYSA-N 0 0 448.548 4.541 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](CC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783552 521548893 /nfs/dbraw/zinc/54/88/93/521548893.db2.gz XTRUXRBNEQQVMD-QFIPXVFZSA-N 0 0 431.536 4.778 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012895168 521553377 /nfs/dbraw/zinc/55/33/77/521553377.db2.gz OOPQQIAUCLHUBK-UHFFFAOYSA-N 0 0 439.556 4.986 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)Nc1cc2sc(NC(=O)CC)nc2c(C)c1 ZINC000033008282 521555357 /nfs/dbraw/zinc/55/53/57/521555357.db2.gz FGGVZCQZRJYGIF-UHFFFAOYSA-N 0 0 426.498 4.774 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1CC)S2 ZINC000020445694 521573225 /nfs/dbraw/zinc/57/32/25/521573225.db2.gz GJLCHOZKFFWJOZ-YADHBBJMSA-N 0 0 435.597 4.753 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000020445724 521573272 /nfs/dbraw/zinc/57/32/72/521573272.db2.gz WTTXUVXPLKQBMQ-MOPGFXCFSA-N 0 0 445.951 4.729 50 0 IJAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021523636 521580667 /nfs/dbraw/zinc/58/06/67/521580667.db2.gz AHPHCCPHKBLVRP-FQEVSTJZSA-N 0 0 436.562 4.964 50 0 IJAARN CCC(CC)Nc1cnc2c(c1)c(NC(=O)c1ccoc1)c(C(=O)OC)n2CC(C)C ZINC000014537037 521598400 /nfs/dbraw/zinc/59/84/00/521598400.db2.gz FSMMUNQZPMFRRG-UHFFFAOYSA-N 0 0 426.517 4.925 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000012786034 521635178 /nfs/dbraw/zinc/63/51/78/521635178.db2.gz MBFRKUWZEDYGRE-HOTGVXAUSA-N 0 0 444.000 4.860 50 0 IJAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)COC ZINC000035976312 521679571 /nfs/dbraw/zinc/67/95/71/521679571.db2.gz CNIZISGSSYNGDN-UHFFFAOYSA-N 0 0 429.467 4.636 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035769878 521686805 /nfs/dbraw/zinc/68/68/05/521686805.db2.gz QYTCVMBVENXFPV-UHFFFAOYSA-N 0 0 433.913 4.504 50 0 IJAARN CCS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1 ZINC000022311956 521689563 /nfs/dbraw/zinc/68/95/63/521689563.db2.gz VVXSJYLTDWIJAE-UHFFFAOYSA-N 0 0 441.534 4.614 50 0 IJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)C3CCCCC3)c2)C(C(=O)OCC)=C1C ZINC000035710556 521701008 /nfs/dbraw/zinc/70/10/08/521701008.db2.gz RGCXLFVQHJQUIQ-OAQYLSRUSA-N 0 0 427.545 4.519 50 0 IJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)CCc3ccccc3)c2)C(C(=O)OCC)=C1C ZINC000035710615 521701011 /nfs/dbraw/zinc/70/10/11/521701011.db2.gz FJCWERUYQPLKKK-XMMPIXPASA-N 0 0 449.551 4.571 50 0 IJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)CCc3ccccc3)c2)C(C(=O)OCC)=C1C ZINC000035710613 521701237 /nfs/dbraw/zinc/70/12/37/521701237.db2.gz FJCWERUYQPLKKK-DEOSSOPVSA-N 0 0 449.551 4.571 50 0 IJAARN CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)c[nH]c21 ZINC000012632242 521788592 /nfs/dbraw/zinc/78/85/92/521788592.db2.gz IREKFJBRJWDREZ-SANMLTNESA-N 0 0 425.488 4.533 50 0 IJAARN CCc1cccc2c([C@H](CC(=O)NCc3cccnc3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910652 521795733 /nfs/dbraw/zinc/79/57/33/521795733.db2.gz KVTHUZMUVGIMBT-JOCHJYFZSA-N 0 0 443.547 4.981 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1)c1ccccc1 ZINC000035887589 521821341 /nfs/dbraw/zinc/82/13/41/521821341.db2.gz HHJQPLOWGPNALE-HSZRJFAPSA-N 0 0 446.570 4.666 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464948 521870603 /nfs/dbraw/zinc/87/06/03/521870603.db2.gz OYCHYNNKGYJLMX-KRWDZBQOSA-N 0 0 428.414 4.566 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563741 521873867 /nfs/dbraw/zinc/87/38/67/521873867.db2.gz DJPBPCBHTUHFDF-QFIPXVFZSA-N 0 0 443.551 4.714 50 0 IJAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936604 521895483 /nfs/dbraw/zinc/89/54/83/521895483.db2.gz LLPOBLKABNUVSC-UVFQYZLESA-N 0 0 434.565 4.760 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1ccccc1F ZINC000033013097 521911584 /nfs/dbraw/zinc/91/15/84/521911584.db2.gz DUINHBFITJGNQO-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936612 522009551 /nfs/dbraw/zinc/00/95/51/522009551.db2.gz LLPOBLKABNUVSC-DKICVRJWSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@H](C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)cc1 ZINC000020614205 522038987 /nfs/dbraw/zinc/03/89/87/522038987.db2.gz LAIIOJZMBBYHKA-FQEVSTJZSA-N 0 0 425.598 4.850 50 0 IJAARN CC[C@@H](C)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)[C@H](CC)c1ccccc1 ZINC000035945496 522098669 /nfs/dbraw/zinc/09/86/69/522098669.db2.gz GDTOVSNUMJKUCS-AUSIDOKSSA-N 0 0 439.600 4.658 50 0 IJAARN CC[C@@H](C)N1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012868655 522109565 /nfs/dbraw/zinc/10/95/65/522109565.db2.gz LYCAFHNRNMDXRL-JTJQLJSMSA-N 0 0 435.955 4.651 50 0 biogenic IJAARN CC[C@H](CCNC(=O)c1cc(C)nc2ccccc21)NC(=O)c1cc(C)nc2ccccc21 ZINC000012637764 522129060 /nfs/dbraw/zinc/12/90/60/522129060.db2.gz ZXJXJNWJTUNNBI-LJQANCHMSA-N 0 0 440.547 4.728 50 0 IJAARN COc1cc(C(=O)N[C@H](C)c2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000012551674 522142100 /nfs/dbraw/zinc/14/21/00/522142100.db2.gz UANCLDGIJDYYMF-OAHLLOKOSA-N 0 0 441.325 4.923 50 0 IJAARN COc1cc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc(OC)c1OC ZINC000015674449 522149990 /nfs/dbraw/zinc/14/99/90/522149990.db2.gz NJBPWDYSRGWEGJ-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN COC(=O)c1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000012417801 522177181 /nfs/dbraw/zinc/17/71/81/522177181.db2.gz AUDKSZMCXFYEIG-VXKWHMMOSA-N 0 0 439.870 4.797 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035928446 522220392 /nfs/dbraw/zinc/22/03/92/522220392.db2.gz LEIWCFYDKLCKFE-DEOSSOPVSA-N 0 0 435.524 4.923 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)CC(C)(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769182 522240041 /nfs/dbraw/zinc/24/00/41/522240041.db2.gz ZYZOWUUVISCZRB-UHFFFAOYSA-N 0 0 429.008 4.676 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)c3ccccc3C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769183 522241453 /nfs/dbraw/zinc/24/14/53/522241453.db2.gz NHAQIVKTCJMQHX-UHFFFAOYSA-N 0 0 448.998 4.862 50 0 IJAARN CN(C)c1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)c1 ZINC000033025669 522255074 /nfs/dbraw/zinc/25/50/74/522255074.db2.gz MFNHEIXMVYPTOG-UHFFFAOYSA-N 0 0 447.539 4.870 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 ZINC000035590019 522255840 /nfs/dbraw/zinc/25/58/40/522255840.db2.gz ROIMAXNNAUJEDB-UHFFFAOYSA-N 0 0 437.908 4.978 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(s1)c(C)ccc2OC ZINC000022855254 522256995 /nfs/dbraw/zinc/25/69/95/522256995.db2.gz LVTILUKUQAGPSY-UHFFFAOYSA-N 0 0 447.516 4.642 50 0 IJAARN COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000012586662 522307287 /nfs/dbraw/zinc/30/72/87/522307287.db2.gz BDFJDPCWIJZOIH-UHFFFAOYSA-N 0 0 433.576 4.798 50 0 IJAARN CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000036063223 522366268 /nfs/dbraw/zinc/36/62/68/522366268.db2.gz ARBGZBHXBJZMHR-MHLWUJJFSA-N 0 0 426.576 4.789 50 0 IJAARN CC[C@H](NC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O)c1ccc(C)cc1 ZINC000012814277 522376506 /nfs/dbraw/zinc/37/65/06/522376506.db2.gz BUFRVRLXUOVNKJ-QFIPXVFZSA-N 0 0 435.593 4.879 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035724833 522377059 /nfs/dbraw/zinc/37/70/59/522377059.db2.gz KOOCYABWMGENGG-APWZRJJASA-N 0 0 437.569 4.997 50 0 IJAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 ZINC000012748095 522427161 /nfs/dbraw/zinc/42/71/61/522427161.db2.gz NHGDWOYFAMCOKH-OAHLLOKOSA-N 0 0 443.594 4.972 50 0 IJAARN CC[C@@H](C)c1ccc([C@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C(C)C)cc1 ZINC000012799576 522430795 /nfs/dbraw/zinc/43/07/95/522430795.db2.gz FZTYMRLYQJHFSV-WAIKUNEKSA-N 0 0 432.586 4.843 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000035961190 522452617 /nfs/dbraw/zinc/45/26/17/522452617.db2.gz ZMFGBZZLNIAXFG-FQEVSTJZSA-N 0 0 444.938 4.597 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000012928344 522496012 /nfs/dbraw/zinc/49/60/12/522496012.db2.gz OZBCEUFCHBSVHU-UHFFFAOYSA-N 0 0 438.311 4.967 50 0 IJAARN CC[C@@H](CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1)n1cccn1 ZINC000036616660 522498289 /nfs/dbraw/zinc/49/82/89/522498289.db2.gz JEQMYSZOHMZQHN-IBGZPJMESA-N 0 0 428.540 4.574 50 0 IJAARN COc1cc(Cl)ccc1S(=O)(=O)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000023330332 522560453 /nfs/dbraw/zinc/56/04/53/522560453.db2.gz HMNISPNQVBKUFE-UHFFFAOYSA-N 0 0 444.984 4.783 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CCOC)C(=O)C(C)C ZINC000035975791 522642202 /nfs/dbraw/zinc/64/22/02/522642202.db2.gz VIXUDNRKGNWXAX-UHFFFAOYSA-N 0 0 439.531 4.997 50 0 IJAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCc1cccc(C)c1 ZINC000020919887 522646754 /nfs/dbraw/zinc/64/67/54/522646754.db2.gz ZPWPCLQFDWHZDR-UHFFFAOYSA-N 0 0 446.956 4.520 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1Cl ZINC000021018803 522811333 /nfs/dbraw/zinc/81/13/33/522811333.db2.gz ZGKZKGCPWZSSNI-HXUWFJFHSA-N 0 0 436.895 4.567 50 0 IJAARN COc1cc(OC)cc(-c2nnc(NC(=O)NC(c3ccccc3)c3ccccc3)o2)c1 ZINC000042381193 522838743 /nfs/dbraw/zinc/83/87/43/522838743.db2.gz FTUYTDQLAKVUPB-UHFFFAOYSA-N 0 0 430.464 4.665 50 0 IJAARN COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccc(O)cc1)N(Cc1ccco1)C3=O ZINC000020446528 522919525 /nfs/dbraw/zinc/91/95/25/522919525.db2.gz YVPBIAQVXWHNNC-NRFANRHFSA-N 0 0 435.505 4.816 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccccc1Cl ZINC000020898891 522933053 /nfs/dbraw/zinc/93/30/53/522933053.db2.gz XWVKVPBRFLOTFO-FQEVSTJZSA-N 0 0 429.929 4.734 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000034708427 523044149 /nfs/dbraw/zinc/04/41/49/523044149.db2.gz PJFJMWONQHEZHF-FTJBHMTQSA-N 0 0 446.591 4.563 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(Cc1ccccc1C)CC2 ZINC000036041052 523045252 /nfs/dbraw/zinc/04/52/52/523045252.db2.gz NUXWEYVGKJKKBU-VWLOTQADSA-N 0 0 444.575 4.850 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccccc1)C(=O)N(c1ccccc1)N=C2C ZINC000022018005 523046231 /nfs/dbraw/zinc/04/62/31/523046231.db2.gz INXFNAMHGOLSER-QFIPXVFZSA-N 0 0 443.503 4.587 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021936888 523077640 /nfs/dbraw/zinc/07/76/40/523077640.db2.gz JLVJOCQFXIDWBN-WOJBJXKFSA-N 0 0 434.565 4.842 50 0 IJAARN CCn1c(-c2ccccc2)nn(CN2CCC(C(=O)c3ccc(OC)cc3)CC2)c1=S ZINC000012931699 523083680 /nfs/dbraw/zinc/08/36/80/523083680.db2.gz DJPUYBZYNAFZBS-UHFFFAOYSA-N 0 0 436.581 4.662 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)nc3n2)cc1 ZINC000021727545 523106702 /nfs/dbraw/zinc/10/67/02/523106702.db2.gz CWKQXAQOQYGGSV-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccc(OC)cc1)C[C@@H]2C(F)(F)F ZINC000035827653 523166658 /nfs/dbraw/zinc/16/66/58/523166658.db2.gz HUAPZXHZEINKAL-ATZDWAIDSA-N 0 0 436.478 4.957 50 0 IJAARN COc1ccc(-c2csc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)n2)cc1F ZINC000017579987 523167603 /nfs/dbraw/zinc/16/76/03/523167603.db2.gz PTEGGPLKHPXEGX-NRFANRHFSA-N 0 0 441.509 4.525 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccn2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000012323746 523179022 /nfs/dbraw/zinc/17/90/22/523179022.db2.gz LRCCZZCKSMESOW-AREMUKBSSA-N 0 0 449.514 4.750 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nnc(CCc4ccccc4)s3)cs2)cc1 ZINC000044891655 523195519 /nfs/dbraw/zinc/19/55/19/523195519.db2.gz FTAGWGMXSKVOLE-UHFFFAOYSA-N 0 0 436.562 4.637 50 0 IJAARN COc1ccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[nH]3)c(C)o2)c(OC)c1 ZINC000035480807 523214037 /nfs/dbraw/zinc/21/40/37/523214037.db2.gz MCYKKQLLNPZHFQ-UHFFFAOYSA-N 0 0 436.493 4.517 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000013049409 523215643 /nfs/dbraw/zinc/21/56/43/523215643.db2.gz KSKYOPKRFQGZQK-UHFFFAOYSA-N 0 0 431.414 4.892 50 0 IJAARN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1[C@H](C)Oc1ccccc1 ZINC000013567168 523221933 /nfs/dbraw/zinc/22/19/33/523221933.db2.gz JUQIQSHXEBXEOA-RNXZQOMOSA-N 0 0 440.613 4.615 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Br)cc1 ZINC000012468355 523229411 /nfs/dbraw/zinc/22/94/11/523229411.db2.gz UNVBGUIJEJJPJL-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2c(C)n[nH]c2C)cc1F ZINC000012596535 523244449 /nfs/dbraw/zinc/24/44/49/523244449.db2.gz LXAODMGGBSWQAE-UHFFFAOYSA-N 0 0 433.531 4.967 50 0 IJAARN COc1ccc(-c2noc(CSCC(=O)Nc3ccc(C)cc3Br)n2)cc1 ZINC000020931005 523293539 /nfs/dbraw/zinc/29/35/39/523293539.db2.gz YQYYLYUVADYLER-UHFFFAOYSA-N 0 0 448.342 4.688 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3ccccc3o2)cc1OC ZINC000021251600 523312562 /nfs/dbraw/zinc/31/25/62/523312562.db2.gz APSVUBUTTBGPHN-UHFFFAOYSA-N 0 0 445.500 4.836 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)CSCc4ccccc4)cc3c2=O)cc1 ZINC000022498820 523313325 /nfs/dbraw/zinc/31/33/25/523313325.db2.gz KCWHICLQBYSDBM-UHFFFAOYSA-N 0 0 445.544 4.575 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1 ZINC000001168051 523346880 /nfs/dbraw/zinc/34/68/80/523346880.db2.gz BIGCQMRWMFEUJX-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012533226 523376048 /nfs/dbraw/zinc/37/60/48/523376048.db2.gz VYGIFSBHFRCSMH-JOCHJYFZSA-N 0 0 434.584 4.579 50 0 IJAARN CCn1cc([C@H](C)NC(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)c(C)n1 ZINC000017096105 523469282 /nfs/dbraw/zinc/46/92/82/523469282.db2.gz KVVGMVLBTMJLDI-ZDUSSCGKSA-N 0 0 428.583 4.774 50 0 IJAARN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000012709242 523628530 /nfs/dbraw/zinc/62/85/30/523628530.db2.gz XMXMGQOQOLWYDE-UHFFFAOYSA-N 0 0 446.950 4.767 50 0 IJAARN CCn1nc(C)c(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)c1C ZINC000021362020 523644565 /nfs/dbraw/zinc/64/45/65/523644565.db2.gz LNFPBGCUUDMDDM-UHFFFAOYSA-N 0 0 447.514 4.631 50 0 IJAARN COc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OCc1ccccn1 ZINC000012522784 523699515 /nfs/dbraw/zinc/69/95/15/523699515.db2.gz MYKJDAKYZBSPAO-UHFFFAOYSA-N 0 0 434.536 4.776 50 0 IJAARN CCc1c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)n(Cc2ccccc2F)c1C ZINC000037385648 523707610 /nfs/dbraw/zinc/70/76/10/523707610.db2.gz MWDGXLQKGYTPKA-UHFFFAOYSA-N 0 0 438.543 4.844 50 0 IJAARN CCn1nccc1CN(C)C(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020615895 523722886 /nfs/dbraw/zinc/72/28/86/523722886.db2.gz QRGHSPGQDSHVFX-UHFFFAOYSA-N 0 0 433.459 4.594 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)C(C)C ZINC000035976754 523736973 /nfs/dbraw/zinc/73/69/73/523736973.db2.gz AKAJYUHTXUCSQQ-UHFFFAOYSA-N 0 0 437.540 4.613 50 0 IJAARN COCCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(F)c1 ZINC000035979624 523778723 /nfs/dbraw/zinc/77/87/23/523778723.db2.gz QSZCYTPTBRHTCX-UHFFFAOYSA-N 0 0 436.314 4.666 50 0 IJAARN COc1ccc(C(C)=O)cc1COC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016047131 523792053 /nfs/dbraw/zinc/79/20/53/523792053.db2.gz LVRARVBTOFWTIC-UHFFFAOYSA-N 0 0 445.515 4.647 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563723 523799295 /nfs/dbraw/zinc/79/92/95/523799295.db2.gz AHKHFBJLMVVGEO-HXUWFJFHSA-N 0 0 449.942 4.751 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)cc(C)c2)[C@@H]1c1ccccc1 ZINC000034927898 523810764 /nfs/dbraw/zinc/81/07/64/523810764.db2.gz ZFJPIRWEMLXUGT-DQEYMECFSA-N 0 0 428.532 4.869 50 0 IJAARN CC[C@H](C)C(=O)N1CCN(c2nc3nccc(-c4ccc(C5CCCCC5)cc4)n3n2)CC1 ZINC000023336840 523828681 /nfs/dbraw/zinc/82/86/81/523828681.db2.gz RUGGGZZNIWFKMM-IBGZPJMESA-N 0 0 446.599 4.534 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)s1 ZINC000020603776 523853278 /nfs/dbraw/zinc/85/32/78/523853278.db2.gz KXZHVNDREYJPHW-JTQLQIEISA-N 0 0 441.500 4.943 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3)C(=O)c3ccccc3F)C2)cc1OC ZINC000035835277 523879380 /nfs/dbraw/zinc/87/93/80/523879380.db2.gz NKRSMHOAEKMFSQ-HXUWFJFHSA-N 0 0 448.494 4.679 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3)C(=O)c3cccs3)C2)cc1OC ZINC000035835264 523880785 /nfs/dbraw/zinc/88/07/85/523880785.db2.gz UFOASWPEGDIIJJ-IBGZPJMESA-N 0 0 436.533 4.601 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000035848895 523886286 /nfs/dbraw/zinc/88/62/86/523886286.db2.gz GHUFYMBUYCBBFB-UHFFFAOYSA-N 0 0 446.620 4.972 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2nc(CSCC(=O)NCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000012817506 523905747 /nfs/dbraw/zinc/90/57/47/523905747.db2.gz YHRJVNFWDVXFQA-ZDUSSCGKSA-N 0 0 447.601 4.570 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000024501243 523921772 /nfs/dbraw/zinc/92/17/72/523921772.db2.gz UPQAUNYIGJGJJH-DEOSSOPVSA-N 0 0 427.548 4.764 50 0 IJAARN CCc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000035562036 523932075 /nfs/dbraw/zinc/93/20/75/523932075.db2.gz YCVHHZRBAGVZCB-UHFFFAOYSA-N 0 0 437.971 4.942 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000012413316 523963710 /nfs/dbraw/zinc/96/37/10/523963710.db2.gz NBFKHKXPLWFKSF-QHCPKHFHSA-N 0 0 448.320 4.889 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021811898 523964244 /nfs/dbraw/zinc/96/42/44/523964244.db2.gz XNNUJRFDCCXHKO-SANMLTNESA-N 0 0 446.551 4.574 50 0 IJAARN COCCOC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C(C)C)cc1 ZINC000012551000 523970168 /nfs/dbraw/zinc/97/01/68/523970168.db2.gz HPUAUIURIPMVEX-JOCHJYFZSA-N 0 0 432.524 4.547 50 0 IJAARN COc1ccc(CCN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020988570 523977089 /nfs/dbraw/zinc/97/70/89/523977089.db2.gz YOTWSBOMHJGUKF-HSZRJFAPSA-N 0 0 433.483 4.815 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)cc1 ZINC000021885235 523990007 /nfs/dbraw/zinc/99/00/07/523990007.db2.gz IPMVKPBIQXIOCF-IBGZPJMESA-N 0 0 430.508 4.558 50 0 IJAARN CCc1ccc(Nc2nc(C(=O)NCc3ccc(OC)cc3OC)nc3ccccc32)cc1 ZINC000035430087 523997202 /nfs/dbraw/zinc/99/72/02/523997202.db2.gz MGPVXUYROWAJGX-UHFFFAOYSA-N 0 0 442.519 4.883 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(Br)c1 ZINC000012790802 524043308 /nfs/dbraw/zinc/04/33/08/524043308.db2.gz GFTPYRTYSSIUQH-UHFFFAOYSA-N 0 0 448.235 4.754 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC000012806289 524065712 /nfs/dbraw/zinc/06/57/12/524065712.db2.gz IMTNRXTXLLPIIP-UHFFFAOYSA-N 0 0 428.488 4.858 50 0 IJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000012525565 524115810 /nfs/dbraw/zinc/11/58/10/524115810.db2.gz ATLNDGDYSPHLJZ-UHFFFAOYSA-N 0 0 446.580 4.589 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CC(=O)Nc4cccc(F)c4)cc3)o2)c1 ZINC000012933167 524123610 /nfs/dbraw/zinc/12/36/10/524123610.db2.gz CTTVXNBALIRCDR-UHFFFAOYSA-N 0 0 444.466 4.562 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2C)c1OC ZINC000012753712 524189441 /nfs/dbraw/zinc/18/94/41/524189441.db2.gz VSPMVSANHNSAGJ-DEOSSOPVSA-N 0 0 427.504 4.676 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c1 ZINC000012733274 524192677 /nfs/dbraw/zinc/19/26/77/524192677.db2.gz MSENDWZTHPLCST-UHFFFAOYSA-N 0 0 448.588 4.571 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000012760144 524201753 /nfs/dbraw/zinc/20/17/53/524201753.db2.gz LNPJSITVEJERCT-UHFFFAOYSA-N 0 0 443.613 4.576 50 0 IJAARN Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(C)(=O)=O)c3)nc21 ZINC000022899462 524217144 /nfs/dbraw/zinc/21/71/44/524217144.db2.gz YXYCZRSGFFZYJS-UHFFFAOYSA-N 0 0 440.546 4.757 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 ZINC000012306713 524222261 /nfs/dbraw/zinc/22/22/61/524222261.db2.gz SBIIGCVFUJFTQE-KRWDZBQOSA-N 0 0 440.975 4.866 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398649 524241418 /nfs/dbraw/zinc/24/14/18/524241418.db2.gz WZKLJTODMCIQTC-LJQANCHMSA-N 0 0 432.543 4.637 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000035684802 524274194 /nfs/dbraw/zinc/27/41/94/524274194.db2.gz GDZYMOYEPNPPBU-MRXNPFEDSA-N 0 0 446.385 4.629 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC(C)CC3)sc21 ZINC000035533298 524283275 /nfs/dbraw/zinc/28/32/75/524283275.db2.gz ZKYBELWNSXPGKF-UHFFFAOYSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000024937671 524289133 /nfs/dbraw/zinc/28/91/33/524289133.db2.gz MTOJPSWKNMIVLG-UHFFFAOYSA-N 0 0 434.923 4.865 50 0 IJAARN C[C@H](CN(C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)c1ccccc1 ZINC000020600793 524300422 /nfs/dbraw/zinc/30/04/22/524300422.db2.gz LNSLGMLKPKSAQM-QGZVFWFLSA-N 0 0 431.005 4.631 50 0 IJAARN Cc1cccc(CCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000020726647 524355608 /nfs/dbraw/zinc/35/56/08/524355608.db2.gz ZPUZQQUHIJIWFC-ULJHMMPZSA-N 0 0 428.557 4.834 50 0 IJAARN COc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000035928545 524360979 /nfs/dbraw/zinc/36/09/79/524360979.db2.gz ZKJIXEUBLORQHL-RUZDIDTESA-N 0 0 447.560 4.792 50 0 IJAARN COc1ccc(N2C(=O)CSC23CCN(C(=O)c2cccc4ccccc42)CC3)cc1 ZINC000034924503 524389944 /nfs/dbraw/zinc/38/99/44/524389944.db2.gz SDNPLAIVGSGLGH-UHFFFAOYSA-N 0 0 432.545 4.561 50 0 IJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(CCO)cc4)cc3)C2=O)c1 ZINC000035180849 524392506 /nfs/dbraw/zinc/39/25/06/524392506.db2.gz ZPHPOMXMUQYQOG-UHFFFAOYSA-N 0 0 443.547 4.614 50 0 IJAARN Cc1cccc(CNC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)c1 ZINC000015680088 524415404 /nfs/dbraw/zinc/41/54/04/524415404.db2.gz IQFSPYDNLKKTCZ-UHFFFAOYSA-N 0 0 435.911 4.893 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)o1 ZINC000035765506 524418122 /nfs/dbraw/zinc/41/81/22/524418122.db2.gz XUXKPFJSTJRKDB-UHFFFAOYSA-N 0 0 438.474 4.700 50 0 IJAARN Cc1ccc(CN2C(=O)CSc3c(c4ccccc4n3C)[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000021911752 524429039 /nfs/dbraw/zinc/42/90/39/524429039.db2.gz RKVSZSIHTUHWKX-XMMPIXPASA-N 0 0 449.620 4.825 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021859437 524432580 /nfs/dbraw/zinc/43/25/80/524432580.db2.gz ANOPCDGVFXCIKL-MUUNZHRXSA-N 0 0 437.543 4.681 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021864672 524432825 /nfs/dbraw/zinc/43/28/25/524432825.db2.gz VNJDYGXUZHMDOO-SANMLTNESA-N 0 0 433.552 4.634 50 0 IJAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855720 524445539 /nfs/dbraw/zinc/44/55/39/524445539.db2.gz NYSQTFJADYNCLO-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)CC(C)C)cs2)c1 ZINC000034905561 524452920 /nfs/dbraw/zinc/45/29/20/524452920.db2.gz ABTZGZMFKGOHRI-WOJBJXKFSA-N 0 0 443.613 4.542 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3SC)C2)c(C)c1 ZINC000012463692 524484042 /nfs/dbraw/zinc/48/40/42/524484042.db2.gz DJSWSNZNTAGGEM-GOSISDBHSA-N 0 0 426.582 4.997 50 0 IJAARN COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000021882583 524485887 /nfs/dbraw/zinc/48/58/87/524485887.db2.gz BHUBAKCDHJBRAY-CQSZACIVSA-N 0 0 439.581 4.716 50 0 IJAARN COc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)cc1 ZINC000021157532 524487049 /nfs/dbraw/zinc/48/70/49/524487049.db2.gz QQVPGIDZLDGXGY-UHFFFAOYSA-N 0 0 426.523 4.552 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1OC ZINC000033288923 524512818 /nfs/dbraw/zinc/51/28/18/524512818.db2.gz OSEJZGDEMBKXPL-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1OC ZINC000020555424 524527289 /nfs/dbraw/zinc/52/72/89/524527289.db2.gz OUWSTOZEWBRJSY-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c1C ZINC000021862601 524536445 /nfs/dbraw/zinc/53/64/45/524536445.db2.gz XLXWCPOZACYMSG-HHHXNRCGSA-N 0 0 444.579 4.533 50 0 IJAARN COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000012321740 524560679 /nfs/dbraw/zinc/56/06/79/524560679.db2.gz COYQECUGUBDRKW-AREMUKBSSA-N 0 0 441.531 4.791 50 0 IJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1OC ZINC000032950853 524565039 /nfs/dbraw/zinc/56/50/39/524565039.db2.gz NPNAIGWCLZCEQS-UHFFFAOYSA-N 0 0 430.508 4.851 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000020903068 524588554 /nfs/dbraw/zinc/58/85/54/524588554.db2.gz IROKRSBZCCSTKH-PPHZAIPVSA-N 0 0 429.564 4.718 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)c1 ZINC000021936990 524645903 /nfs/dbraw/zinc/64/59/03/524645903.db2.gz BFNHLYZAZJSTHY-OXQOHEQNSA-N 0 0 434.565 4.760 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1C ZINC000021885232 524648059 /nfs/dbraw/zinc/64/80/59/524648059.db2.gz VTZUHGRASXGNAK-LJQANCHMSA-N 0 0 430.508 4.613 50 0 IJAARN COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 ZINC000012441907 524663638 /nfs/dbraw/zinc/66/36/38/524663638.db2.gz UXGNJZQXKUUJBM-UHFFFAOYSA-N 0 0 434.521 4.639 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@@H]4CCC[C@H](C)[C@H]4C)c23)C1 ZINC000245228442 524725956 /nfs/dbraw/zinc/72/59/56/524725956.db2.gz YHJSWKLUVTWZPI-SFNKJDCFSA-N 0 0 428.646 4.885 50 0 IJAARN COc1ccccc1[C@@H]1CN(CCNC(=O)c2sccc2Cl)Cc2ccccc2O1 ZINC000012128384 524760801 /nfs/dbraw/zinc/76/08/01/524760801.db2.gz HVLDBZGHXOAWTP-NRFANRHFSA-N 0 0 442.968 4.776 50 0 IJAARN Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Br)o3)cc2)c1 ZINC000012633376 524784588 /nfs/dbraw/zinc/78/45/88/524784588.db2.gz BFQNQBPNCHWEON-UHFFFAOYSA-N 0 0 429.270 4.511 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(C)C(=O)CC(C)(C)C ZINC000035961289 524807038 /nfs/dbraw/zinc/80/70/38/524807038.db2.gz PWSZPZVRYZSDIC-HSZRJFAPSA-N 0 0 449.595 4.884 50 0 IJAARN Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000035928003 524810349 /nfs/dbraw/zinc/81/03/49/524810349.db2.gz IEQVRTKVQIYMSA-XMMPIXPASA-N 0 0 436.508 4.930 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(C)cc2)c1 ZINC000021361557 524835062 /nfs/dbraw/zinc/83/50/62/524835062.db2.gz DXHSUBKDJXROSI-UHFFFAOYSA-N 0 0 443.503 4.676 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)c1 ZINC000065057894 524835404 /nfs/dbraw/zinc/83/54/04/524835404.db2.gz IZKXCTKQWOJIRM-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012546173 524841356 /nfs/dbraw/zinc/84/13/56/524841356.db2.gz XEILDONCPIMFTI-RDJZCZTQSA-N 0 0 447.988 4.726 50 0 IJAARN Cc1cccc([C@@H]2[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924163 524856732 /nfs/dbraw/zinc/85/67/32/524856732.db2.gz FQXIWDGDVLUVPH-JWQCQUIFSA-N 0 0 428.507 4.894 50 0 IJAARN COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c1 ZINC000020892649 524900145 /nfs/dbraw/zinc/90/01/45/524900145.db2.gz IMHJRWUGVJZGSW-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000021850977 524928781 /nfs/dbraw/zinc/92/87/81/524928781.db2.gz BFPHVYBNEFBDDZ-SANMLTNESA-N 0 0 446.551 4.628 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021851306 524931039 /nfs/dbraw/zinc/93/10/39/524931039.db2.gz PVQPUUCJXGMZCA-RUZDIDTESA-N 0 0 448.592 4.788 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000021862674 524931647 /nfs/dbraw/zinc/93/16/47/524931647.db2.gz ZEXGATBYOYOZKF-HHHXNRCGSA-N 0 0 444.579 4.533 50 0 IJAARN C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012550160 524968731 /nfs/dbraw/zinc/96/87/31/524968731.db2.gz MSBJAOSOHVVEIV-ZDUSSCGKSA-N 0 0 434.721 4.544 50 0 IJAARN COc1ccc(OCc2nnc(SCc3nnsc3Cl)n2-c2ccccc2)cc1 ZINC000012527079 524979116 /nfs/dbraw/zinc/97/91/16/524979116.db2.gz DGXHSRZVBGSGBG-UHFFFAOYSA-N 0 0 445.957 4.652 50 0 IJAARN C[C@@H]1CN(Cc2csc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)n2)C[C@@H](C)O1 ZINC000012765121 525029726 /nfs/dbraw/zinc/02/97/26/525029726.db2.gz FVTIPPYZIDPFLZ-ZIAGYGMSSA-N 0 0 441.578 4.626 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccc(C)cc4)o3)no2)cc1 ZINC000021721546 525041079 /nfs/dbraw/zinc/04/10/79/525041079.db2.gz KVZSTWZWAIHHMM-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4)o3)no2)cc1C ZINC000021721809 525041443 /nfs/dbraw/zinc/04/14/43/525041443.db2.gz ZJKWCNGCDSMLNS-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 ZINC000012519860 525042646 /nfs/dbraw/zinc/04/26/46/525042646.db2.gz XFCSWCAMIJPEQD-UHFFFAOYSA-N 0 0 444.560 4.646 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3CCC[C@H](C)C3)ncn2)c(Br)c1 ZINC000033301344 525076835 /nfs/dbraw/zinc/07/68/35/525076835.db2.gz NXOKIMNFUPWHTC-AWEZNQCLSA-N 0 0 435.391 4.515 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1F ZINC000035533286 525084085 /nfs/dbraw/zinc/08/40/85/525084085.db2.gz KAKUAQKPQOAPRP-UHFFFAOYSA-N 0 0 431.562 4.501 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c(C)c1 ZINC000035533421 525084359 /nfs/dbraw/zinc/08/43/59/525084359.db2.gz GWLOLSKEPBFGOD-AWEZNQCLSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o2)c(C)c1 ZINC000015987119 525086099 /nfs/dbraw/zinc/08/60/99/525086099.db2.gz XTDCNLZACUNHFV-QGZVFWFLSA-N 0 0 434.562 4.639 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccccc3)c2NC(=O)C(C)C)cc1 ZINC000012408334 525093130 /nfs/dbraw/zinc/09/31/30/525093130.db2.gz YYNLXZJZLWZGEA-UHFFFAOYSA-N 0 0 440.565 4.589 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)cc1C ZINC000035535272 525103329 /nfs/dbraw/zinc/10/33/29/525103329.db2.gz RLOSQKZWOCZEKU-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCCc1ccccc1 ZINC000021808238 525200084 /nfs/dbraw/zinc/20/00/84/525200084.db2.gz CVYCLYVUCGTMGG-AREMUKBSSA-N 0 0 449.620 4.999 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000021809610 525202113 /nfs/dbraw/zinc/20/21/13/525202113.db2.gz GANLCJGIEKIBJQ-RUZDIDTESA-N 0 0 435.593 4.957 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c(C)c1 ZINC000021885280 525219344 /nfs/dbraw/zinc/21/93/44/525219344.db2.gz JJBIZQVUCXFJLM-IBGZPJMESA-N 0 0 430.508 4.613 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(Br)c1 ZINC000021018878 525226761 /nfs/dbraw/zinc/22/67/61/525226761.db2.gz GSFKZQWZWDRFOZ-OAQYLSRUSA-N 0 0 435.321 4.968 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033268574 525238537 /nfs/dbraw/zinc/23/85/37/525238537.db2.gz KBSWHXUQKZCXRE-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC2CCCCCC2)cc1 ZINC000012641929 525238838 /nfs/dbraw/zinc/23/88/38/525238838.db2.gz XQYZBCNQPJORPB-VWLOTQADSA-N 0 0 447.579 4.992 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000012762136 525242450 /nfs/dbraw/zinc/24/24/50/525242450.db2.gz DFRYKEXPDOPMOQ-FQEVSTJZSA-N 0 0 432.948 4.922 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000012914633 525242829 /nfs/dbraw/zinc/24/28/29/525242829.db2.gz PAUAXZYLYGVPJC-FQEVSTJZSA-N 0 0 432.948 4.922 50 0 IJAARN C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891353 525248736 /nfs/dbraw/zinc/24/87/36/525248736.db2.gz ZMJSYKCAJITWCN-KKSFZXQISA-N 0 0 429.586 4.631 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(F)c3)s2)C1 ZINC000033113394 525249701 /nfs/dbraw/zinc/24/97/01/525249701.db2.gz GLPDGSMYRQJXLD-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H](C)SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21 ZINC000021936974 525258111 /nfs/dbraw/zinc/25/81/11/525258111.db2.gz UHSNELXKNSENCS-OXQOHEQNSA-N 0 0 434.565 4.760 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)c1 ZINC000024658614 525269956 /nfs/dbraw/zinc/26/99/56/525269956.db2.gz UHONGSXIBDHQJC-QFIPXVFZSA-N 0 0 425.575 4.550 50 0 IJAARN Cc1ccccc1NCc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000021880751 525272167 /nfs/dbraw/zinc/27/21/67/525272167.db2.gz SVXSPAOEBIQTIY-UHFFFAOYSA-N 0 0 444.608 4.572 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)cc1 ZINC000021795300 525322471 /nfs/dbraw/zinc/32/24/71/525322471.db2.gz HSLHFZMKLISNGE-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000011007444 534848317 /nfs/dbraw/zinc/84/83/17/534848317.db2.gz OBRAJDBYXDOKEC-UHFFFAOYSA-N 0 0 430.523 4.899 50 0 IJAARN COc1ccc([C@H](CC(=O)NCc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560585 525344002 /nfs/dbraw/zinc/34/40/02/525344002.db2.gz KVERWWAFROLRHB-QHCPKHFHSA-N 0 0 434.923 4.752 50 0 IJAARN C[C@@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1ccc(Cl)cc1 ZINC000012470322 525345849 /nfs/dbraw/zinc/34/58/49/525345849.db2.gz VTCMBYFUSOQRMQ-MRXNPFEDSA-N 0 0 426.944 4.611 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)cc1Br ZINC000001066532 525365869 /nfs/dbraw/zinc/36/58/69/525365869.db2.gz ZCVACOGCZJFXCC-UHFFFAOYSA-N 0 0 445.357 4.710 50 0 IJAARN CSCCC(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(C(=O)CC2CCCC2)CC1 ZINC000012328381 525366239 /nfs/dbraw/zinc/36/62/39/525366239.db2.gz UIGWCOPLBZROCR-QHCPKHFHSA-N 0 0 448.648 4.767 50 0 IJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3)c3ccccc3S2)cc1OC ZINC000016959786 525401571 /nfs/dbraw/zinc/40/15/71/525401571.db2.gz NYAQYQNWSGGRCI-HSZRJFAPSA-N 0 0 448.544 4.913 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NC2CCCCCC2)cc1 ZINC000012641937 525405019 /nfs/dbraw/zinc/40/50/19/525405019.db2.gz XQYZBCNQPJORPB-RUZDIDTESA-N 0 0 447.579 4.992 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012767122 525407024 /nfs/dbraw/zinc/40/70/24/525407024.db2.gz PVYYQFBDNIBOEX-OAQYLSRUSA-N 0 0 426.582 4.753 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000021622772 525408155 /nfs/dbraw/zinc/40/81/55/525408155.db2.gz SZEOHRFSYLSDGL-HSZRJFAPSA-N 0 0 442.515 4.588 50 0 IJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000012273719 525432253 /nfs/dbraw/zinc/43/22/53/525432253.db2.gz LUAVTRBXZMSOJP-HFZDXXHNSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccn2)c(F)c1 ZINC000012208216 525438711 /nfs/dbraw/zinc/43/87/11/525438711.db2.gz RUVGZLJYQWWBDP-SANMLTNESA-N 0 0 429.495 4.818 50 0 IJAARN Cc1ccc(OCc2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000016260273 525447436 /nfs/dbraw/zinc/44/74/36/525447436.db2.gz VRGZOVGQUBWHGF-FQEVSTJZSA-N 0 0 436.533 4.779 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc12 ZINC000021100079 525459501 /nfs/dbraw/zinc/45/95/01/525459501.db2.gz KNTBAGONOQFISR-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(c1ccc(Br)cc1)C2=O ZINC000020855042 525472449 /nfs/dbraw/zinc/47/24/49/525472449.db2.gz YQLAGOXULAEFPU-QGZVFWFLSA-N 0 0 447.130 4.993 50 0 IJAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000035871790 525551472 /nfs/dbraw/zinc/55/14/72/525551472.db2.gz HRQKTIVWAJOMSF-AHWVRZQESA-N 0 0 427.548 4.510 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000020850404 525553022 /nfs/dbraw/zinc/55/30/22/525553022.db2.gz XUCKHTHKLWQWIG-DEOSSOPVSA-N 0 0 440.609 4.512 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)[nH]c1c2C(=O)CCC1 ZINC000020990299 525615455 /nfs/dbraw/zinc/61/54/55/525615455.db2.gz HUUVHONLLBFYQQ-UHFFFAOYSA-N 0 0 438.427 4.695 50 0 IJAARN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)C1=O ZINC000012770345 525615704 /nfs/dbraw/zinc/61/57/04/525615704.db2.gz HBESVEGYMXWVRG-ZDUSSCGKSA-N 0 0 427.913 4.606 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccccc4)nc23)cc1C ZINC000020516325 525636444 /nfs/dbraw/zinc/63/64/44/525636444.db2.gz QFAJXWXQWQAPDX-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN Cc1c(C(=O)N[C@H](C)c2ccccc2)n(Cc2ccccc2F)c(C)c1N1CCOCC1 ZINC000035835004 525644173 /nfs/dbraw/zinc/64/41/73/525644173.db2.gz ICUWQQJSDLOAAV-LJQANCHMSA-N 0 0 435.543 4.620 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(F)ccc3F)sc2c1 ZINC000021660576 525657803 /nfs/dbraw/zinc/65/78/03/525657803.db2.gz IXHXOSJOSFUPSP-CQSZACIVSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCC(Cc3ccc4c(c3)OCO4)CC2)c(C)c1C ZINC000022668483 525675450 /nfs/dbraw/zinc/67/54/50/525675450.db2.gz QHAGQDOGZFWRNQ-UHFFFAOYSA-N 0 0 429.582 4.601 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(F)c3)cc(=O)n2o1 ZINC000041089696 525675970 /nfs/dbraw/zinc/67/59/70/525675970.db2.gz IQXSIIJOHXCGDQ-UHFFFAOYSA-N 0 0 438.484 4.980 50 0 IJAARN Cc1c(C)n(-c2ncccc2C)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000021801593 525681691 /nfs/dbraw/zinc/68/16/91/525681691.db2.gz KPMZUBKKPUYSAW-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccncc2)c1S(=O)(=O)c1ccccc1 ZINC000012322461 525686089 /nfs/dbraw/zinc/68/60/89/525686089.db2.gz JUALMTMFRJQFDQ-UHFFFAOYSA-N 0 0 445.544 4.633 50 0 IJAARN C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012783162 525713652 /nfs/dbraw/zinc/71/36/52/525713652.db2.gz BKXJBSIOVKFBJR-GHMZBOCLSA-N 0 0 438.534 4.606 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000020617178 525720623 /nfs/dbraw/zinc/72/06/23/525720623.db2.gz XPEKGECMVYQYNX-VQTJNVASSA-N 0 0 432.568 4.636 50 0 IJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000012441123 525745665 /nfs/dbraw/zinc/74/56/65/525745665.db2.gz ZJXNDJQHKNSLJO-UHFFFAOYSA-N 0 0 431.414 4.536 50 0 IJAARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)N[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000022202487 525765675 /nfs/dbraw/zinc/76/56/75/525765675.db2.gz LWSHEQUUZPALRE-JOCHJYFZSA-N 0 0 445.544 4.520 50 0 IJAARN Cc1ccc(-c2csc(Cc3nc(O)c(CC(=O)Nc4ccccc4F)s3)n2)cc1 ZINC000012797465 525778788 /nfs/dbraw/zinc/77/87/88/525778788.db2.gz DGJJKQBYTYBJTN-GOSISDBHSA-N 0 0 439.537 4.869 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CCCc1ccccc1 ZINC000021809464 525790826 /nfs/dbraw/zinc/79/08/26/525790826.db2.gz YOKSYOGNLIKHTJ-VWLOTQADSA-N 0 0 435.593 4.609 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000021808318 525792107 /nfs/dbraw/zinc/79/21/07/525792107.db2.gz RFJPFVLMWOXCMB-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)c2ccco2)cc1 ZINC000035945750 525792290 /nfs/dbraw/zinc/79/22/90/525792290.db2.gz FWTKSERPJWQSTR-NRFANRHFSA-N 0 0 435.911 4.691 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)c(C)c1 ZINC000035460321 525795630 /nfs/dbraw/zinc/79/56/30/525795630.db2.gz MWIKDIUWWFHLNX-UHFFFAOYSA-N 0 0 429.524 4.773 50 0 IJAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Oc4ccccc4)cc2)C(=O)N3)cc1 ZINC000020727503 525827009 /nfs/dbraw/zinc/82/70/09/525827009.db2.gz ZHVXRFXZCRRVGT-NRFANRHFSA-N 0 0 439.475 4.568 50 0 IJAARN Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)cccc1-c1nc2ccccc2s1 ZINC000021786888 525833629 /nfs/dbraw/zinc/83/36/29/525833629.db2.gz RBMUCYUTBHNZRG-UHFFFAOYSA-N 0 0 427.485 4.506 50 0 IJAARN Cc1ccc(-c2nn(C[C@H](O)COc3ccc4ccccc4c3)c(=O)c3ccccc32)cc1 ZINC000022759481 525841938 /nfs/dbraw/zinc/84/19/38/525841938.db2.gz VSEQHXWGQGOGGM-QHCPKHFHSA-N 0 0 436.511 4.965 50 0 IJAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ncnc5cc(Cl)ccc54)CC3)n2)cc1 ZINC000012855476 525883706 /nfs/dbraw/zinc/88/37/06/525883706.db2.gz MPIXYLSQIOPLQM-MRXNPFEDSA-N 0 0 434.931 4.525 50 0 IJAARN CC(=O)c1cccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)c1 ZINC000009708862 534892783 /nfs/dbraw/zinc/89/27/83/534892783.db2.gz NKMGXUBRRPNNHN-UHFFFAOYSA-N 0 0 432.528 4.521 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c(C)c1 ZINC000033141996 525885785 /nfs/dbraw/zinc/88/57/85/525885785.db2.gz UKWQVEOSOQQMOJ-FQEVSTJZSA-N 0 0 430.552 4.980 50 0 IJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)NCc4ccc(Cl)cc4)CC3)cn2)cc1C ZINC000035403658 525906756 /nfs/dbraw/zinc/90/67/56/525906756.db2.gz OCYHWOGWMJZENA-UHFFFAOYSA-N 0 0 434.971 4.548 50 0 IJAARN Cc1cn2c(nc(COc3cc(NC(=O)c4cccc(Cl)c4)ccc3C)cc2=O)s1 ZINC000041077361 525941185 /nfs/dbraw/zinc/94/11/85/525941185.db2.gz QLQDOJFUZVSMMD-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(Br)c1 ZINC000012926691 525946950 /nfs/dbraw/zinc/94/69/50/525946950.db2.gz MMCFGLSZLWLLFR-MDZDMXLPSA-N 0 0 427.342 4.648 50 0 IJAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023327826 525949227 /nfs/dbraw/zinc/94/92/27/525949227.db2.gz NTZSRVSRMJMURZ-LJQANCHMSA-N 0 0 436.502 4.666 50 0 IJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCC(C)CC2)o1 ZINC000021659850 525958267 /nfs/dbraw/zinc/95/82/67/525958267.db2.gz NLIMAYZKFIDJJP-SFHVURJKSA-N 0 0 428.916 4.551 50 0 IJAARN Cc1ccc([C@H](NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c2cccs2)cc1 ZINC000012821764 525963261 /nfs/dbraw/zinc/96/32/61/525963261.db2.gz WFUWDICBNIDTDH-DEOSSOPVSA-N 0 0 448.569 4.624 50 0 IJAARN CSc1ccc(CC(=O)N(CCn2cccn2)c2nc3c(cccc3F)s2)cc1 ZINC000023144923 525982325 /nfs/dbraw/zinc/98/23/25/525982325.db2.gz RWDCYUACLMQAGZ-UHFFFAOYSA-N 0 0 426.542 4.630 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(Cl)cc1 ZINC000020866759 525992368 /nfs/dbraw/zinc/99/23/68/525992368.db2.gz SMSXZXWVTOJBFP-UHFFFAOYSA-N 0 0 434.927 4.876 50 0 IJAARN Cc1c2nc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)sc2ccc1Cl ZINC000012342253 525995471 /nfs/dbraw/zinc/99/54/71/525995471.db2.gz MRHNVKKYPVMZOT-UHFFFAOYSA-N 0 0 428.970 4.830 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000239425796 526008883 /nfs/dbraw/zinc/00/88/83/526008883.db2.gz VGPNLODJAXQSKT-NFFDBFGFSA-N 0 0 438.391 4.921 50 0 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526101411 /nfs/dbraw/zinc/10/14/11/526101411.db2.gz GKWAZMJIZVXEAX-UHFFFAOYSA-N 0 0 436.562 4.552 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3Cl)CC2)cc1 ZINC000035887964 526114191 /nfs/dbraw/zinc/11/41/91/526114191.db2.gz HLLSNVQDJVBPDD-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN CSc1ccccc1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012050613 526147911 /nfs/dbraw/zinc/14/79/11/526147911.db2.gz BBSJQZHPBOZSJC-MRXNPFEDSA-N 0 0 432.536 4.636 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435217 526157657 /nfs/dbraw/zinc/15/76/57/526157657.db2.gz ARWGJQXMTFXVJX-UHFFFAOYSA-N 0 0 437.721 4.777 50 0 IJAARN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000022791553 526161277 /nfs/dbraw/zinc/16/12/77/526161277.db2.gz HASKTEGSQSIDSF-LJQANCHMSA-N 0 0 437.971 4.517 50 0 IJAARN C[C@@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000012936630 526176571 /nfs/dbraw/zinc/17/65/71/526176571.db2.gz BRPJJYSWNKTDKL-LMKMVOKYSA-N 0 0 444.560 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4.910 50 0 IJAARN Cc1csc(N(C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c2ccccc2)n1 ZINC000012761641 526372464 /nfs/dbraw/zinc/37/24/64/526372464.db2.gz LESKRNSZTAWIPX-UHFFFAOYSA-N 0 0 436.924 4.938 50 0 IJAARN O=C(OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21)c1ccccc1Cl ZINC000020894050 526413996 /nfs/dbraw/zinc/41/39/96/526413996.db2.gz VREDQJZGNVHRMR-UHFFFAOYSA-N 0 0 425.893 4.700 50 0 IJAARN O=C(OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O)c1ccccc1 ZINC000012580833 526418557 /nfs/dbraw/zinc/41/85/57/526418557.db2.gz BLKKQXOLGNBLJM-UHFFFAOYSA-N 0 0 442.515 4.673 50 0 IJAARN O=C([C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000012524938 526453351 /nfs/dbraw/zinc/45/33/51/526453351.db2.gz KYINIVCEZTXIQT-NRFANRHFSA-N 0 0 430.533 4.983 50 0 IJAARN Cc1noc(C)c1C(=O)NCc1nc(-c2ccccc2NC(=O)CC2CCCC2)oc1C ZINC000014978435 526472430 /nfs/dbraw/zinc/47/24/30/526472430.db2.gz UEEZHVUUVBXMQL-UHFFFAOYSA-N 0 0 436.512 4.704 50 0 IJAARN Cc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)NCc1cccnc1 ZINC000016400306 526475221 /nfs/dbraw/zinc/47/52/21/526475221.db2.gz SSVZBMJSTUJYHU-UHFFFAOYSA-N 0 0 446.532 4.906 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)NCCc2ccc(Br)s2)c1 ZINC000022226570 526523890 /nfs/dbraw/zinc/52/38/90/526523890.db2.gz MPIWKVXECUZOIL-UHFFFAOYSA-N 0 0 435.343 4.667 50 0 IJAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000012321870 526540375 /nfs/dbraw/zinc/54/03/75/526540375.db2.gz ZRADIKHFBMDVKL-NRFANRHFSA-N 0 0 425.529 4.692 50 0 IJAARN O=C([C@H]1CCCO1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000015070229 526541634 /nfs/dbraw/zinc/54/16/34/526541634.db2.gz AECGBGHUTMBGQL-RUZDIDTESA-N 0 0 434.511 4.550 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)s1 ZINC000024396160 526567389 /nfs/dbraw/zinc/56/73/89/526567389.db2.gz LUILHZIABQEXRO-UHFFFAOYSA-N 0 0 430.577 4.873 50 0 IJAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(Nc4ccc5n[nH]cc5c4)c23)c1 ZINC000012547388 526574139 /nfs/dbraw/zinc/57/41/39/526574139.db2.gz SZHDTGDQQHOESF-UHFFFAOYSA-N 0 0 448.577 4.872 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000035454775 526574508 /nfs/dbraw/zinc/57/45/08/526574508.db2.gz HCBVTVMPTYYXTC-MRXNPFEDSA-N 0 0 443.588 4.758 50 0 IJAARN c1csc(-c2nnc(SCc3nccn3Cc3ccccc3)n2C[C@H]2CCCO2)c1 ZINC000040067285 526575343 /nfs/dbraw/zinc/57/53/43/526575343.db2.gz MYVPNWLPRUKQJH-GOSISDBHSA-N 0 0 437.594 4.723 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000022913342 526580833 /nfs/dbraw/zinc/58/08/33/526580833.db2.gz UCGRXRYZBQJUJN-SXOMAYOGSA-N 0 0 439.559 4.755 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000012886198 526594907 /nfs/dbraw/zinc/59/49/07/526594907.db2.gz MMNOQYNSADAIPE-UHFFFAOYSA-N 0 0 441.380 4.739 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)cc1Cl ZINC000012768433 526596739 /nfs/dbraw/zinc/59/67/39/526596739.db2.gz ZCKVVTCOZLWYBO-UHFFFAOYSA-N 0 0 438.952 4.615 50 0 IJAARN O=C(c1cc2occc2c(Nc2ccc(F)cc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000035503283 526644609 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IJAARN Cc1c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000682655 555538233 /nfs/dbraw/zinc/53/82/33/555538233.db2.gz QQHHFGKQSMXNOT-UHFFFAOYSA-N 0 0 449.514 4.589 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000683435 555539071 /nfs/dbraw/zinc/53/90/71/555539071.db2.gz DZCNMJWMAPDNQA-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000000686632 555540119 /nfs/dbraw/zinc/54/01/19/555540119.db2.gz NBGFBYNTQKUALK-FXAWDEMLSA-N 0 0 430.618 4.787 50 0 IJAARN COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)cc1OC ZINC000000693013 555542347 /nfs/dbraw/zinc/54/23/47/555542347.db2.gz UDXAMDACTCRGAO-UHFFFAOYSA-N 0 0 429.476 4.910 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ncnc3sc4c(c32)CCC4)C1=O ZINC000000706749 555545017 /nfs/dbraw/zinc/54/50/17/555545017.db2.gz NVGZPDLNYQDLPN-KRWDZBQOSA-N 0 0 441.553 4.633 50 0 IJAARN O=C(Cn1c2ccccc2n2nc(-c3ccccc3)nc12)c1ccc(Br)cc1 ZINC000000729062 555552228 /nfs/dbraw/zinc/55/22/28/555552228.db2.gz GSPVZEBVCZRZDC-UHFFFAOYSA-N 0 0 431.293 4.996 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000789581 555556687 /nfs/dbraw/zinc/55/66/87/555556687.db2.gz YAQYUVNXJDRSPW-UHFFFAOYSA-N 0 0 436.533 4.518 50 0 IJAARN COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C ZINC000000791230 555557046 /nfs/dbraw/zinc/55/70/46/555557046.db2.gz DCSWNKGDVASTSH-UHFFFAOYSA-N 0 0 439.924 4.729 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000000799819 555558928 /nfs/dbraw/zinc/55/89/28/555558928.db2.gz SOJFQNLCWTYHOU-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)s2)cc1OC ZINC000000804718 555559646 /nfs/dbraw/zinc/55/96/46/555559646.db2.gz FSXOSRAWCKFORN-UHFFFAOYSA-N 0 0 447.944 4.596 50 0 IJAARN COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C ZINC000000812119 555560866 /nfs/dbraw/zinc/56/08/66/555560866.db2.gz BJKKIANRGGSKMI-UHFFFAOYSA-N 0 0 429.505 4.884 50 0 IJAARN CCOC(=O)c1c(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000000822197 555564109 /nfs/dbraw/zinc/56/41/09/555564109.db2.gz IHSDVGKWNLSOET-CQSZACIVSA-N 0 0 441.808 4.684 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000831035 555566373 /nfs/dbraw/zinc/56/63/73/555566373.db2.gz MZXJUYPLBKNVCX-UHFFFAOYSA-N 0 0 432.134 4.898 50 0 IJAARN COc1ccc(CC(=O)c2ccc(C(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1OC ZINC000000850929 555570488 /nfs/dbraw/zinc/57/04/88/555570488.db2.gz LZJWVAIQDJHLQZ-UHFFFAOYSA-N 0 0 434.488 4.572 50 0 biogenic IJAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc2c(c1)CCCC2 ZINC000009494347 555576815 /nfs/dbraw/zinc/57/68/15/555576815.db2.gz LCCDMCMDHJQXDC-UHFFFAOYSA-N 0 0 427.957 4.901 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cs1 ZINC000009508807 555577165 /nfs/dbraw/zinc/57/71/65/555577165.db2.gz PGUSQUBSNZCGIW-UHFFFAOYSA-N 0 0 441.862 4.515 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4O)c3n2)c1 ZINC000000883777 555578320 /nfs/dbraw/zinc/57/83/20/555578320.db2.gz MBTPWXIUJRIOTH-UHFFFAOYSA-N 0 0 442.397 4.690 50 0 IJAARN CCOC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000000941305 555586986 /nfs/dbraw/zinc/58/69/86/555586986.db2.gz OSNYVDOFQXBBOT-UHFFFAOYSA-N 0 0 439.682 4.606 50 0 IJAARN O=C1S[C@@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000000969727 555591102 /nfs/dbraw/zinc/59/11/02/555591102.db2.gz MCHBTSZWZBXBOE-CYBMUJFWSA-N 0 0 442.132 4.850 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000000982884 555593859 /nfs/dbraw/zinc/59/38/59/555593859.db2.gz IZVOFYATKXUYAB-VWLOTQADSA-N 0 0 445.544 4.672 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000000997738 555599302 /nfs/dbraw/zinc/59/93/02/555599302.db2.gz PSHNNPOXZYOMBJ-JTQLQIEISA-N 0 0 429.929 4.841 50 0 aggregator IJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000000998840 555599518 /nfs/dbraw/zinc/59/95/18/555599518.db2.gz VWQPDIKQUFJNAA-ICSRJNTNSA-N 0 0 428.458 4.824 50 0 IJAARN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000999533 555599876 /nfs/dbraw/zinc/59/98/76/555599876.db2.gz BCKUTQGKCPYHSO-UONOGXRCSA-N 0 0 428.458 4.774 50 0 IJAARN C[C@@H]1CC[C@@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)C1 ZINC000000999534 555599898 /nfs/dbraw/zinc/59/98/98/555599898.db2.gz BCKUTQGKCPYHSO-ZIAGYGMSSA-N 0 0 428.458 4.774 50 0 IJAARN C[C@@H]1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@@H](C)C1 ZINC000000999550 555599906 /nfs/dbraw/zinc/59/99/06/555599906.db2.gz IGRYFWZVAXSJIS-KGLIPLIRSA-N 0 0 428.458 4.774 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000001009058 555601409 /nfs/dbraw/zinc/60/14/09/555601409.db2.gz PXAJZRWZGJVLSW-UHFFFAOYSA-N 0 0 433.423 4.821 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C(=O)OCC)c1C ZINC000001009445 555601706 /nfs/dbraw/zinc/60/17/06/555601706.db2.gz KWZQKZOPUGFUBB-ZWNOBZJWSA-N 0 0 448.368 4.940 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000001020000 555603381 /nfs/dbraw/zinc/60/33/81/555603381.db2.gz SIBUUSLNMNBGSH-FQEVSTJZSA-N 0 0 448.500 4.633 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001025132 555604392 /nfs/dbraw/zinc/60/43/92/555604392.db2.gz RHMTTXRRELTMRL-UHFFFAOYSA-N 0 0 425.868 4.849 50 0 IJAARN COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C(F)(F)F)s1 ZINC000001033408 555606753 /nfs/dbraw/zinc/60/67/53/555606753.db2.gz HVZFNNCAOYGFFL-GFCCVEGCSA-N 0 0 447.500 4.641 50 0 IJAARN CC(C)(C)c1ccc(-c2n[nH]c(NS(=O)(=O)c3ccccc3)c2Br)cc1 ZINC000001037332 555608370 /nfs/dbraw/zinc/60/83/70/555608370.db2.gz RCLIFWCYMQCFAV-UHFFFAOYSA-N 0 0 434.359 4.938 50 0 IJAARN O=C(NCc1ccco1)c1c(-c2ccccc2)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000001055944 555614492 /nfs/dbraw/zinc/61/44/92/555614492.db2.gz SECBTGFFTNJJNZ-UHFFFAOYSA-N 0 0 446.484 4.919 50 0 IJAARN COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001060358 555615989 /nfs/dbraw/zinc/61/59/89/555615989.db2.gz AQNWCORHMQGEQM-QHCPKHFHSA-N 0 0 438.487 4.751 50 0 IJAARN CCOc1c(I)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000001065484 555618269 /nfs/dbraw/zinc/61/82/69/555618269.db2.gz YPXUZOGEHYLAHB-UHFFFAOYSA-N 0 0 445.684 4.913 50 0 IJAARN Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NC[C@H]3CCCO3)c2c1 ZINC000001068302 555619589 /nfs/dbraw/zinc/61/95/89/555619589.db2.gz WYQGMNWVNZQVKI-QGZVFWFLSA-N 0 0 425.326 4.882 50 0 IJAARN CCOC(=O)C1=C(CNc2ccc(C)c(Cl)c2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001069995 555620600 /nfs/dbraw/zinc/62/06/00/555620600.db2.gz XUMIGMCWRXJXLE-IBGZPJMESA-N 0 0 434.323 4.585 50 0 IJAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001074579 555623236 /nfs/dbraw/zinc/62/32/36/555623236.db2.gz RDEMLLMHGFCOFQ-UHFFFAOYSA-N 0 0 427.485 4.588 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2ccccc2OC)cc1 ZINC000001077464 555624952 /nfs/dbraw/zinc/62/49/52/555624952.db2.gz POQGTRAJMRVUPN-ZEQRLZLVSA-N 0 0 431.488 4.716 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001078396 555625252 /nfs/dbraw/zinc/62/52/52/555625252.db2.gz YLQKQUGHDADBKJ-UHFFFAOYSA-N 0 0 428.941 4.980 50 0 IJAARN O=C(CSCc1nc2ccccc2c(=O)n1-c1ccccc1Cl)Nc1ccccc1 ZINC000001095602 555627759 /nfs/dbraw/zinc/62/77/59/555627759.db2.gz HCDDVXYRRVVTHO-UHFFFAOYSA-N 0 0 435.936 4.911 50 0 IJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001100380 555628755 /nfs/dbraw/zinc/62/87/55/555628755.db2.gz OYMNZJWTYMFZHO-UHFFFAOYSA-N 0 0 439.286 4.523 50 0 IJAARN CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)cc1 ZINC000001104444 555629278 /nfs/dbraw/zinc/62/92/78/555629278.db2.gz MEBRNXITQHSUSE-UHFFFAOYSA-N 0 0 432.505 4.837 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001108761 555630175 /nfs/dbraw/zinc/63/01/75/555630175.db2.gz XLHLXMJYWRZVJU-VWLOTQADSA-N 0 0 434.561 4.779 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000001110624 555631360 /nfs/dbraw/zinc/63/13/60/555631360.db2.gz QITMJXXRJLWYHA-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000001110805 555631392 /nfs/dbraw/zinc/63/13/92/555631392.db2.gz NLHBGLKTPVZASR-LJQANCHMSA-N 0 0 438.549 4.889 50 0 IJAARN O=C1C[C@H](SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001114746 555633748 /nfs/dbraw/zinc/63/37/48/555633748.db2.gz PJXDGPNTHNOIQZ-HNNXBMFYSA-N 0 0 439.846 4.800 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000001115120 555634057 /nfs/dbraw/zinc/63/40/57/555634057.db2.gz YWDQARRZQCGDEC-UHFFFAOYSA-N 0 0 446.370 4.748 50 0 IJAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000001123615 555639014 /nfs/dbraw/zinc/63/90/14/555639014.db2.gz PXFUDOYGMQANLH-OAHLLOKOSA-N 0 0 437.521 4.836 50 0 IJAARN CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000001126831 555641350 /nfs/dbraw/zinc/64/13/50/555641350.db2.gz GMJNVCJPUXYLSY-QGZVFWFLSA-N 0 0 438.286 4.798 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000001129150 555643318 /nfs/dbraw/zinc/64/33/18/555643318.db2.gz RLSZCUOGSMWSBQ-UHFFFAOYSA-N 0 0 437.352 4.837 50 0 IJAARN CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccccc1 ZINC000001142144 555650727 /nfs/dbraw/zinc/65/07/27/555650727.db2.gz QNTSATFTWSSLNK-XMMPIXPASA-N 0 0 446.528 4.967 50 0 aggregator IJAARN CCOc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001149710 555655593 /nfs/dbraw/zinc/65/55/93/555655593.db2.gz VORIERUPVGWXFH-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2)cc1 ZINC000001169948 555665934 /nfs/dbraw/zinc/66/59/34/555665934.db2.gz ORTLMBARQFESEJ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000001174121 555668640 /nfs/dbraw/zinc/66/86/40/555668640.db2.gz LFOPWKUSGYTUSK-UHFFFAOYSA-N 0 0 438.952 4.750 50 0 IJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OC)c4)ccc3o2)cc1 ZINC000001174156 555668700 /nfs/dbraw/zinc/66/87/00/555668700.db2.gz JIZXDLVJEAARDE-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN O=C(Nc1c(-c2cccs2)nc2ccccn21)c1ccc(I)cc1 ZINC000001182529 555672525 /nfs/dbraw/zinc/67/25/25/555672525.db2.gz PFSLMYMIZGOLCR-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000001183197 555672825 /nfs/dbraw/zinc/67/28/25/555672825.db2.gz FSTDZBJNBOLKSO-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 ZINC000001198292 555677646 /nfs/dbraw/zinc/67/76/46/555677646.db2.gz URZFZJHIIXQXDB-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN COC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C(=O)OC)c1C ZINC000001199821 555678207 /nfs/dbraw/zinc/67/82/07/555678207.db2.gz RTPIRRVOEOXTLI-BQYQJAHWSA-N 0 0 428.293 4.588 50 0 IJAARN CCOc1cc(C(=O)Nc2sc(C)c(CC)c2C(=O)OC)cc(OCC)c1OCC ZINC000001200996 555678493 /nfs/dbraw/zinc/67/84/93/555678493.db2.gz QIYAPPNPMSPIIG-UHFFFAOYSA-N 0 0 435.542 4.854 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206044 555680284 /nfs/dbraw/zinc/68/02/84/555680284.db2.gz NQSBALGQPPWRBJ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1 ZINC000001210905 555682227 /nfs/dbraw/zinc/68/22/27/555682227.db2.gz ZDAOBENZQDGMPO-UHFFFAOYSA-N 0 0 437.297 4.834 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001219392 555685376 /nfs/dbraw/zinc/68/53/76/555685376.db2.gz NEIMFTLWOJOCBJ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(C(=O)N[C@H](Sc2nc3ccccc3[nH]2)C(Cl)(Cl)Cl)cc1 ZINC000001252233 555687770 /nfs/dbraw/zinc/68/77/70/555687770.db2.gz GBDBGEGAJNTCNH-OAHLLOKOSA-N 0 0 430.744 4.790 50 0 IJAARN CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000001311731 555689669 /nfs/dbraw/zinc/68/96/69/555689669.db2.gz GCGQKJNTZRLWHK-UHFFFAOYSA-N 0 0 433.331 4.511 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000010246837 555692436 /nfs/dbraw/zinc/69/24/36/555692436.db2.gz NFOWGJGXFVVBPF-UHFFFAOYSA-N 0 0 444.443 4.740 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C)ccc2C)c(OC)c1OC ZINC000001428358 555696284 /nfs/dbraw/zinc/69/62/84/555696284.db2.gz RHLWJTLNRVSCIL-UHFFFAOYSA-N 0 0 434.492 4.834 50 0 IJAARN c1ccc2oc(-c3ccc(Nc4nc(N5CCCC5)nc(N5CCCC5)n4)cc3)nc2c1 ZINC000001440162 555697344 /nfs/dbraw/zinc/69/73/44/555697344.db2.gz HCSCANKAWCVRTR-UHFFFAOYSA-N 0 0 427.512 4.624 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000001452069 555699913 /nfs/dbraw/zinc/69/99/13/555699913.db2.gz UNHDSSDXDSLYJV-UHFFFAOYSA-N 0 0 441.578 4.627 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750187 555712443 /nfs/dbraw/zinc/71/24/43/555712443.db2.gz CADZAXGAQLYYLR-HXPMCKFVSA-N 0 0 449.931 4.780 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(OC)c2)sc1NC(=O)c1cccs1 ZINC000002059628 555731491 /nfs/dbraw/zinc/73/14/91/555731491.db2.gz KAQOVKHQCROQMZ-UHFFFAOYSA-N 0 0 444.534 4.808 50 0 IJAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1 ZINC000002078911 555736694 /nfs/dbraw/zinc/73/66/94/555736694.db2.gz KVOYTZKMLJZFBO-UHFFFAOYSA-N 0 0 447.487 4.941 50 0 IJAARN CCCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CC[C@@H](C)C2 ZINC000002081653 555738081 /nfs/dbraw/zinc/73/80/81/555738081.db2.gz YBYJEEZZDJRCJX-CYBMUJFWSA-N 0 0 425.506 4.798 50 0 IJAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000002082028 555738368 /nfs/dbraw/zinc/73/83/68/555738368.db2.gz NRQBHRBWPKZMJP-UHFFFAOYSA-N 0 0 436.942 4.761 50 0 IJAARN CCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000002086025 555739994 /nfs/dbraw/zinc/73/99/94/555739994.db2.gz ZBYZHKOEADVLIF-QHCPKHFHSA-N 0 0 430.508 4.562 50 0 IJAARN CCCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002088403 555740575 /nfs/dbraw/zinc/74/05/75/555740575.db2.gz KMNZIUAQJGRPHZ-HUUCEWRRSA-N 0 0 445.283 4.836 50 0 IJAARN O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3s2)CC1 ZINC000071890488 555745643 /nfs/dbraw/zinc/74/56/43/555745643.db2.gz XJQNMLWWPHTUFJ-OAQYLSRUSA-N 0 0 427.614 4.711 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002136667 555747203 /nfs/dbraw/zinc/74/72/03/555747203.db2.gz QMJWZUZNOMIJLI-CCEZHUSRSA-N 0 0 441.984 4.929 50 0 IJAARN CCCOc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1OC ZINC000002172476 555752033 /nfs/dbraw/zinc/75/20/33/555752033.db2.gz BKCTVCCDGJHXHX-UHFFFAOYSA-N 0 0 446.547 4.959 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2N)cc1 ZINC000002179331 555753088 /nfs/dbraw/zinc/75/30/88/555753088.db2.gz YDKDHBKJGZUJGU-UHFFFAOYSA-N 0 0 427.618 4.553 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002287977 555765626 /nfs/dbraw/zinc/76/56/26/555765626.db2.gz SQNXUTNQYVHCST-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 ZINC000002291929 555765891 /nfs/dbraw/zinc/76/58/91/555765891.db2.gz IPGUQCDUWWGBNS-UHFFFAOYSA-N 0 0 426.516 4.749 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)c4ccccc4)c3n2)c1 ZINC000002338071 555769904 /nfs/dbraw/zinc/76/99/04/555769904.db2.gz ZSXWROVDJVZDGI-UHFFFAOYSA-N 0 0 426.398 4.700 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 ZINC000002337782 555769966 /nfs/dbraw/zinc/76/99/66/555769966.db2.gz LKWGPOUTSADDGM-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000002348282 555770888 /nfs/dbraw/zinc/77/08/88/555770888.db2.gz MKNFFVPGCATFNS-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN COc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000002362694 555772116 /nfs/dbraw/zinc/77/21/16/555772116.db2.gz SKUPLIWRCDNJOY-UHFFFAOYSA-N 0 0 425.794 4.989 50 0 IJAARN CCn1c2nnc(SCc3ccc(Cl)cc3)n2c2sc3c(c2c1=O)CCCC3 ZINC000002399470 555775875 /nfs/dbraw/zinc/77/58/75/555775875.db2.gz TYJWUXKKPJWEQR-UHFFFAOYSA-N 0 0 430.986 4.950 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000002453712 555782402 /nfs/dbraw/zinc/78/24/02/555782402.db2.gz QFZOJLUSIQTNQP-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1 ZINC000002503255 555784516 /nfs/dbraw/zinc/78/45/16/555784516.db2.gz BPQBRZJBEFZFPE-UHFFFAOYSA-N 0 0 435.325 4.636 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000034675731 555794021 /nfs/dbraw/zinc/79/40/21/555794021.db2.gz JQWXKTWASVYJLT-UHFFFAOYSA-N 0 0 435.474 4.940 50 0 IJAARN O=C(Cc1ccccc1)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000002667190 555796758 /nfs/dbraw/zinc/79/67/58/555796758.db2.gz FGASCUSHTNPQGF-HNNXBMFYSA-N 0 0 436.564 4.916 50 0 IJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccccc32)c1 ZINC000002692321 555799459 /nfs/dbraw/zinc/79/94/59/555799459.db2.gz SZUQLPBNALMUOE-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN CC(C)c1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 ZINC000002693309 555799795 /nfs/dbraw/zinc/79/97/95/555799795.db2.gz DZEVFQHAKRHTFE-UHFFFAOYSA-N 0 0 443.532 4.977 50 0 IJAARN Cc1ccccc1-n1c2ncn(Cc3ccc(C(C)(C)C)cc3)c2c(=O)n(CC(C)C)c1=O ZINC000034693344 555806566 /nfs/dbraw/zinc/80/65/66/555806566.db2.gz HXUVOEFLEPBGEJ-UHFFFAOYSA-N 0 0 444.579 4.659 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1)NCC1CC1 ZINC000034679987 555812759 /nfs/dbraw/zinc/81/27/59/555812759.db2.gz OOXHNMFDZXZHEL-UHFFFAOYSA-N 0 0 434.486 4.881 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683913 555819455 /nfs/dbraw/zinc/81/94/55/555819455.db2.gz BEZYZDGFCFWPFR-UHFFFAOYSA-N 0 0 428.529 4.587 50 0 IJAARN O=C(NCc1ccco1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000034710425 555824061 /nfs/dbraw/zinc/82/40/61/555824061.db2.gz LRJYBNNEYNVQAP-RBUKOAKNSA-N 0 0 437.927 4.887 50 0 IJAARN O=C(NCCc1ccccc1)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000002811350 555827238 /nfs/dbraw/zinc/82/72/38/555827238.db2.gz MAVDBBCXWYXXOW-UHFFFAOYSA-N 0 0 428.389 4.527 50 0 IJAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000002812930 555827932 /nfs/dbraw/zinc/82/79/32/555827932.db2.gz BQYXAJDNXFGUPA-UHFFFAOYSA-N 0 0 432.973 4.542 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccccc1Cl ZINC000002822297 555830179 /nfs/dbraw/zinc/83/01/79/555830179.db2.gz SMPSVMGTIKWUOO-CPNJWEJPSA-N 0 0 433.847 4.912 50 0 IJAARN CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC000002836538 555833150 /nfs/dbraw/zinc/83/31/50/555833150.db2.gz PQSHICSKNWRPGI-UHFFFAOYSA-N 0 0 433.371 4.662 50 0 IJAARN CC[C@H](Sc1nnc(-c2ccc(NC(C)=O)cc2)n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002836664 555833181 /nfs/dbraw/zinc/83/31/81/555833181.db2.gz JZCKTCWOPMXDPR-SFHVURJKSA-N 0 0 443.960 4.603 50 0 IJAARN CCCOc1c(Br)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC ZINC000002844276 555836918 /nfs/dbraw/zinc/83/69/18/555836918.db2.gz AZZXKDVXCFNXEL-YBEGLDIGSA-N 0 0 434.261 4.730 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000002848081 555838445 /nfs/dbraw/zinc/83/84/45/555838445.db2.gz YRUBPPGJGYDNTR-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN COC(=O)c1sc2cc(NC(=S)Nc3ccc4c(c3)OCCO4)ccc2c1Cl ZINC000002852577 555840126 /nfs/dbraw/zinc/84/01/26/555840126.db2.gz GJQSGPHXQKYZOB-UHFFFAOYSA-N 0 0 434.926 4.921 50 0 IJAARN Cc1ccccc1NC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000002860751 555844180 /nfs/dbraw/zinc/84/41/80/555844180.db2.gz IZTSRHMSPRJSAD-UHFFFAOYSA-N 0 0 445.544 4.856 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1CCCO ZINC000002866539 555847453 /nfs/dbraw/zinc/84/74/53/555847453.db2.gz YTTIFYMXCLNINY-HSZRJFAPSA-N 0 0 427.456 4.513 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002868612 555848695 /nfs/dbraw/zinc/84/86/95/555848695.db2.gz VWZLPSBXVPDEPK-UHFFFAOYSA-N 0 0 441.380 4.556 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000002868731 555848708 /nfs/dbraw/zinc/84/87/08/555848708.db2.gz XLOVRQPHHRFTIW-UHFFFAOYSA-N 0 0 434.517 4.765 50 0 IJAARN COc1ccc(C(=O)NCCCSc2nc(C(C)(C)C)cc(C(F)(F)F)n2)cc1 ZINC000002881944 555855830 /nfs/dbraw/zinc/85/58/30/555855830.db2.gz AIBXILPRSFRAHG-UHFFFAOYSA-N 0 0 427.492 4.714 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c(I)c1O ZINC000002882843 555856291 /nfs/dbraw/zinc/85/62/91/555856291.db2.gz NFDBSFYCIWIRHQ-AWEZNQCLSA-N 0 0 445.256 4.633 50 0 IJAARN CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4C)n21)CCC3 ZINC000002885228 555857759 /nfs/dbraw/zinc/85/77/59/555857759.db2.gz GIWWQQHEYKMSIJ-UHFFFAOYSA-N 0 0 441.607 4.589 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000002885495 555858073 /nfs/dbraw/zinc/85/80/73/555858073.db2.gz ICCGTTZAALPRFH-ZHZULCJRSA-N 0 0 436.895 4.767 50 0 biogenic IJAARN O=c1oc2ccc(Br)cc2cc1-c1ccc(I)cc1 ZINC000002912777 555862338 /nfs/dbraw/zinc/86/23/38/555862338.db2.gz ZQMIYDFZXXIDKY-UHFFFAOYSA-N 0 0 427.035 4.827 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002993104 555875487 /nfs/dbraw/zinc/87/54/87/555875487.db2.gz ODIRJXWMZWFTKR-UHFFFAOYSA-N 0 0 436.577 4.750 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000003138073 555891190 /nfs/dbraw/zinc/89/11/90/555891190.db2.gz GYXWWZDSCWFVJN-KRWDZBQOSA-N 0 0 435.229 4.657 50 0 IJAARN COc1ccc(CN2CCc3nc(N4CCCCC4)nc(Oc4cccc(F)c4)c3C2)cc1 ZINC000034755729 555900749 /nfs/dbraw/zinc/90/07/49/555900749.db2.gz AEJBYYDHAMREFG-UHFFFAOYSA-N 0 0 448.542 4.965 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034757960 555902633 /nfs/dbraw/zinc/90/26/33/555902633.db2.gz WGWDEHFQJHIQJF-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN CC(C)c1ccc(NC(=O)N2CCN(Cc3noc(-c4ccccc4Cl)n3)CC2)cc1 ZINC000034904889 555919300 /nfs/dbraw/zinc/91/93/00/555919300.db2.gz VCBCHJLRCNQXFP-UHFFFAOYSA-N 0 0 439.947 4.863 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc2ccccc2s1 ZINC000003503880 555936835 /nfs/dbraw/zinc/93/68/35/555936835.db2.gz NCEKMDWMBIOLRU-UHFFFAOYSA-N 0 0 434.564 4.776 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccc(S(=O)(=O)N4CCCC4)cc23)cc1 ZINC000003627949 555941472 /nfs/dbraw/zinc/94/14/72/555941472.db2.gz JGRFZPNYCRWSNO-UHFFFAOYSA-N 0 0 434.517 4.931 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)c(C)c4)nn3c2C)cc1 ZINC000003631758 555942109 /nfs/dbraw/zinc/94/21/09/555942109.db2.gz NUMJKWGKHZAUES-UHFFFAOYSA-N 0 0 445.592 4.988 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2nc(C)c(Cc3cc(C)ccc3C)c(C)n2n1 ZINC000003638190 555942705 /nfs/dbraw/zinc/94/27/05/555942705.db2.gz MUYBXUCKYJGOQG-UHFFFAOYSA-N 0 0 439.629 4.689 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(C(C)C)cs3)cc2)c1 ZINC000010556741 555987045 /nfs/dbraw/zinc/98/70/45/555987045.db2.gz HPSPJLQEXKMDNL-UHFFFAOYSA-N 0 0 429.567 4.936 50 0 IJAARN COc1ccc2nc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2c1 ZINC000004757460 556010080 /nfs/dbraw/zinc/01/00/80/556010080.db2.gz YSWRPUBHTMSFCB-INIZCTEOSA-N 0 0 429.973 4.534 50 0 IJAARN O=C(NC1CCCCCCCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000005065664 556030957 /nfs/dbraw/zinc/03/09/57/556030957.db2.gz DGZASVNNVBYIPW-UHFFFAOYSA-N 0 0 434.646 4.877 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000006157246 556078507 /nfs/dbraw/zinc/07/85/07/556078507.db2.gz CJPYGATXBOEWOU-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000006164130 556079240 /nfs/dbraw/zinc/07/92/40/556079240.db2.gz JHKQPVBDHUNJJY-UHFFFAOYSA-N 0 0 446.356 4.677 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1 ZINC000006245187 556082629 /nfs/dbraw/zinc/08/26/29/556082629.db2.gz AWIXKPKHVWGJCT-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Br)cn1 ZINC000006456748 556088993 /nfs/dbraw/zinc/08/89/93/556088993.db2.gz DMGXPNPCIJFYDY-QHHAFSJGSA-N 0 0 431.142 4.677 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002689900 556119722 /nfs/dbraw/zinc/11/97/22/556119722.db2.gz NFDXQMGTVRYLML-UHFFFAOYSA-N 0 0 431.875 4.971 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000002693376 556120853 /nfs/dbraw/zinc/12/08/53/556120853.db2.gz YEDLPTFWYLWQCT-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccc(F)c(Cl)c1 ZINC000002698733 556121513 /nfs/dbraw/zinc/12/15/13/556121513.db2.gz SLQYQVCQCGICMK-UHFFFAOYSA-N 0 0 427.907 4.800 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 ZINC000002701681 556122660 /nfs/dbraw/zinc/12/26/60/556122660.db2.gz JLHBNPLEVLHQKM-UHFFFAOYSA-N 0 0 438.549 4.784 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704089 556123270 /nfs/dbraw/zinc/12/32/70/556123270.db2.gz MDKIKCFVLXVVIW-QHCPKHFHSA-N 0 0 443.430 4.715 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002704600 556123891 /nfs/dbraw/zinc/12/38/91/556123891.db2.gz UOIPAJOXDCMQFJ-HSZRJFAPSA-N 0 0 427.456 4.561 50 0 IJAARN COc1ccc(OC)c([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000002707413 556124178 /nfs/dbraw/zinc/12/41/78/556124178.db2.gz BUSVAYFGAINJGG-GOTSBHOMSA-N 0 0 444.516 4.917 50 0 IJAARN COC(=O)c1ccc(CSc2nc3c4ccccc4[nH]c3c(=O)n2-c2ccc(F)cc2)o1 ZINC000002720882 556127361 /nfs/dbraw/zinc/12/73/61/556127361.db2.gz KIMVLMSTRUFIJP-UHFFFAOYSA-N 0 0 449.463 4.678 50 0 IJAARN O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccccc1 ZINC000002722275 556127994 /nfs/dbraw/zinc/12/79/94/556127994.db2.gz SROIVCSRGLNILK-UHFFFAOYSA-N 0 0 438.936 4.755 50 0 IJAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)c1 ZINC000002716595 556131363 /nfs/dbraw/zinc/13/13/63/556131363.db2.gz CZLBDCNEKJCPJD-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3c(c2=O)SCC3)cc1 ZINC000002719749 556131907 /nfs/dbraw/zinc/13/19/07/556131907.db2.gz PDTVISDHLGWBOU-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)cc1OC ZINC000002724638 556133227 /nfs/dbraw/zinc/13/32/27/556133227.db2.gz VSVKIAKCKMIGGH-QHCPKHFHSA-N 0 0 436.895 4.541 50 0 IJAARN O=C(c1ccccc1Br)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002724742 556133349 /nfs/dbraw/zinc/13/33/49/556133349.db2.gz SRTJACMWGVMESL-OAQYLSRUSA-N 0 0 439.284 4.772 50 0 IJAARN Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(Br)ccc3n2)c1 ZINC000002730206 556134255 /nfs/dbraw/zinc/13/42/55/556134255.db2.gz DBLXEJGHOQJRFJ-KRWDZBQOSA-N 0 0 425.326 4.882 50 0 IJAARN CC[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 ZINC000002789862 556139323 /nfs/dbraw/zinc/13/93/23/556139323.db2.gz DMEJUIRUMVLRNA-LLVKDONJSA-N 0 0 446.502 4.995 50 0 IJAARN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)c1ccc2c(c1)OCCO2 ZINC000002890835 556149347 /nfs/dbraw/zinc/14/93/47/556149347.db2.gz TUBZFYAPPWZXAH-UHFFFAOYSA-N 0 0 443.937 4.857 50 0 IJAARN O=c1c(Cc2ccccc2)c([O-])n(-c2ccc(Cl)cc2)c2ccc(-c3ccccc3)n[n+]12 ZINC000008384860 556160536 /nfs/dbraw/zinc/16/05/36/556160536.db2.gz IWBZPYCFDYYNCV-UHFFFAOYSA-O 0 0 440.910 4.588 50 0 IJAARN CCC[C@H](C(=O)n1nc(C)cc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000008442235 556177195 /nfs/dbraw/zinc/17/71/95/556177195.db2.gz XVDOZMYITBYVON-XZOQPEGZSA-N 0 0 439.581 4.585 50 0 IJAARN c1ccc(C(c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)c2ccccc2)cc1 ZINC000008453203 556183723 /nfs/dbraw/zinc/18/37/23/556183723.db2.gz RPVRULIDVDMYOA-FQEVSTJZSA-N 0 0 426.501 4.879 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003062927 556187075 /nfs/dbraw/zinc/18/70/75/556187075.db2.gz LZKZQEPVGVYEPX-NFJKTXFASA-N 0 0 444.328 4.585 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccs2)cc1 ZINC000008591795 556189230 /nfs/dbraw/zinc/18/92/30/556189230.db2.gz DXQYNYYIBOBYKW-JOCHJYFZSA-N 0 0 447.560 4.985 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000008754229 556210571 /nfs/dbraw/zinc/21/05/71/556210571.db2.gz ZJPVFFYUDNLREG-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(Nc4ccccc4)cc3)C(=O)[C@H]1C2 ZINC000008770500 556213295 /nfs/dbraw/zinc/21/32/95/556213295.db2.gz IKFDDTANIGXLPE-OAQYLSRUSA-N 0 0 445.544 4.506 50 0 IJAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000008871098 556229670 /nfs/dbraw/zinc/22/96/70/556229670.db2.gz VQZOLDRVVPAYFT-UHFFFAOYSA-N 0 0 447.951 4.860 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000008915393 556232433 /nfs/dbraw/zinc/23/24/33/556232433.db2.gz YOEFSLPNSJHXFF-QFIPXVFZSA-N 0 0 449.434 4.678 50 0 IJAARN CCCSc1nnc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](CC)CC4)s1 ZINC000009088350 556245910 /nfs/dbraw/zinc/24/59/10/556245910.db2.gz GFOFDXBLNCCJNZ-SNVBAGLBSA-N 0 0 433.628 4.999 50 0 IJAARN Cc1ccc(CC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 ZINC000009198731 556256783 /nfs/dbraw/zinc/25/67/83/556256783.db2.gz GQAPOVALVBJUPY-MRXNPFEDSA-N 0 0 440.956 4.510 50 0 IJAARN CN1c2ccc(Br)cc2[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000009210952 556257956 /nfs/dbraw/zinc/25/79/56/556257956.db2.gz GATYPCFUIQXRNY-QFIPXVFZSA-N 0 0 431.293 4.569 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000009216157 556257974 /nfs/dbraw/zinc/25/79/74/556257974.db2.gz XPSWKAUBEFRVDJ-HXUWFJFHSA-N 0 0 447.516 4.607 50 0 IJAARN CCSc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 ZINC000009224812 556258667 /nfs/dbraw/zinc/25/86/67/556258667.db2.gz KFDCFHQDABXNLW-OAHLLOKOSA-N 0 0 438.578 4.731 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1cccc(F)c1 ZINC000009225597 556259223 /nfs/dbraw/zinc/25/92/23/556259223.db2.gz BJCYSYDIIGDEBZ-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225733 556259815 /nfs/dbraw/zinc/25/98/15/556259815.db2.gz LKELOVXZPJOTNX-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cn1 ZINC000009227303 556261096 /nfs/dbraw/zinc/26/10/96/556261096.db2.gz YVTUUEWWPGCSMH-UHFFFAOYSA-N 0 0 432.307 4.507 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239585 556266054 /nfs/dbraw/zinc/26/60/54/556266054.db2.gz YLLZWUCKHBEVRG-FCHUYYIVSA-N 0 0 435.597 4.808 50 0 IJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000009259444 556267608 /nfs/dbraw/zinc/26/76/08/556267608.db2.gz TWJZWOMZVVSGEI-LICLKQGHSA-N 0 0 434.439 4.997 50 0 IJAARN FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000013686486 556276652 /nfs/dbraw/zinc/27/66/52/556276652.db2.gz UHPHHCWTLGAMAT-OAHLLOKOSA-N 0 0 435.943 4.632 50 0 IJAARN COc1ccc(-c2nc(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)cs2)cc1 ZINC000013690399 556279736 /nfs/dbraw/zinc/27/97/36/556279736.db2.gz TYRSEBMJUJVXFG-UHFFFAOYSA-N 0 0 425.941 4.855 50 0 IJAARN COc1ccc(CCc2nnc3sc(Cc4cccc5ccccc54)nn23)cc1OC ZINC000013692747 556282292 /nfs/dbraw/zinc/28/22/92/556282292.db2.gz DGYIRRCPUDGURS-UHFFFAOYSA-N 0 0 430.533 4.732 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(F)c(Cl)c2)S1 ZINC000009353070 556284364 /nfs/dbraw/zinc/28/43/64/556284364.db2.gz HTDSFEUDORTJRO-HNNXBMFYSA-N 0 0 442.299 4.580 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)COc1ccccc1 ZINC000013718551 556288327 /nfs/dbraw/zinc/28/83/27/556288327.db2.gz IHIMGFUMLBCFNT-UHFFFAOYSA-N 0 0 440.565 4.674 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)COCc1cc(-c2ccco2)on1 ZINC000009436465 556291764 /nfs/dbraw/zinc/29/17/64/556291764.db2.gz JOWMPTDNPRPLRD-UHFFFAOYSA-N 0 0 440.887 4.605 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCc2ccccc2F)CC1 ZINC000009473353 556293506 /nfs/dbraw/zinc/29/35/06/556293506.db2.gz DKNPQSLKPMLPJA-UHFFFAOYSA-N 0 0 441.528 4.621 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 ZINC000013751873 556299428 /nfs/dbraw/zinc/29/94/28/556299428.db2.gz HLYCIAZYAOFGAB-UHFFFAOYSA-N 0 0 440.609 4.980 50 0 IJAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n(C[C@@H]2CCCO2)c1C ZINC000032739680 556300034 /nfs/dbraw/zinc/30/00/34/556300034.db2.gz GKPYINRDYDNTKC-VGSWGCGISA-N 0 0 427.614 4.527 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(C)cc32)no1 ZINC000009581310 556300505 /nfs/dbraw/zinc/30/05/05/556300505.db2.gz YWYLTJMADFECQH-UHFFFAOYSA-N 0 0 429.476 4.919 50 0 IJAARN CCSc1ccc(-c2nn(-c3ccccc3)cc2CNCc2nnc3ccccn32)cc1 ZINC000032740432 556300572 /nfs/dbraw/zinc/30/05/72/556300572.db2.gz MXFYRTYEFIAORU-UHFFFAOYSA-N 0 0 440.576 4.984 50 0 IJAARN CCCNC(=O)[C@H]1CN(C(=O)c2sc(-c3ccc(CC)cc3)nc2C)c2ccccc2O1 ZINC000032740707 556301830 /nfs/dbraw/zinc/30/18/30/556301830.db2.gz BCPKRPVJFHTHHQ-OAQYLSRUSA-N 0 0 449.576 4.615 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)s1 ZINC000032740902 556302218 /nfs/dbraw/zinc/30/22/18/556302218.db2.gz UFUIQHFZLJKUHL-MRXNPFEDSA-N 0 0 427.595 4.535 50 0 IJAARN c1ccc(C(c2noc(CSc3nnnn3-c3ccccc3)n2)c2ccccc2)cc1 ZINC000009659818 556304221 /nfs/dbraw/zinc/30/42/21/556304221.db2.gz CSJOUNSALDYNOB-UHFFFAOYSA-N 0 0 426.505 4.518 50 0 IJAARN Cc1ccccc1NC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661645 556304571 /nfs/dbraw/zinc/30/45/71/556304571.db2.gz AMGOOQIXTLCMAX-UHFFFAOYSA-N 0 0 434.499 4.748 50 0 IJAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000009661455 556304641 /nfs/dbraw/zinc/30/46/41/556304641.db2.gz GAGJPJLDPKUPBM-UHFFFAOYSA-N 0 0 427.291 4.718 50 0 IJAARN COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2Cl)c1 ZINC000013776609 556307548 /nfs/dbraw/zinc/30/75/48/556307548.db2.gz CPYZEIKAXZMMRX-BPUDTRNYSA-N 0 0 429.944 4.866 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)c1 ZINC000013787198 556309495 /nfs/dbraw/zinc/30/94/95/556309495.db2.gz LAWWYAJLJPWJGO-IZHYLOQSSA-N 0 0 449.601 4.748 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2C)c2ccccc23)c1 ZINC000009829914 556309959 /nfs/dbraw/zinc/30/99/59/556309959.db2.gz LTNGJTYSUXXOJK-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013811070 556312215 /nfs/dbraw/zinc/31/22/15/556312215.db2.gz NMAKJCSTXJIZLA-OALUTQOASA-N 0 0 449.898 4.932 50 0 IJAARN CSc1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013845218 556318795 /nfs/dbraw/zinc/31/87/95/556318795.db2.gz VFOQBVYKMWQRPP-LLVKDONJSA-N 0 0 433.382 4.509 50 0 IJAARN CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Br)c(Br)s1 ZINC000032760767 556321352 /nfs/dbraw/zinc/32/13/52/556321352.db2.gz COVWQJDDSIEKQG-UHFFFAOYSA-N 0 0 425.092 4.824 50 0 IJAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1SCC(F)(F)F ZINC000032754818 556324029 /nfs/dbraw/zinc/32/40/29/556324029.db2.gz QKJOMSJDVYUZMX-UHFFFAOYSA-N 0 0 426.504 4.612 50 0 IJAARN Cc1ccc(-n2c(SCCn3c4ccccc4oc3=O)nc3ccccc3c2=O)cc1C ZINC000032777037 556327577 /nfs/dbraw/zinc/32/75/77/556327577.db2.gz UOZCKKDCFAXJTB-UHFFFAOYSA-N 0 0 443.528 4.703 50 0 IJAARN Cc1cccc(N2C(=O)c3ccc(NC(=O)COc4ccccc4Cl)cc3C2=O)c1C ZINC000013895961 556329264 /nfs/dbraw/zinc/32/92/64/556329264.db2.gz WLSVGNUGILQTNO-UHFFFAOYSA-N 0 0 434.879 4.775 50 0 IJAARN O=C(COC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000010386810 556334151 /nfs/dbraw/zinc/33/41/51/556334151.db2.gz OLQZMYLEFDNTHI-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1=O ZINC000010461896 556335467 /nfs/dbraw/zinc/33/54/67/556335467.db2.gz JKYFDYVJPWAPOB-HNNXBMFYSA-N 0 0 448.350 4.833 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1=O ZINC000010461843 556335583 /nfs/dbraw/zinc/33/55/83/556335583.db2.gz NBZMALNDCZAVET-OAHLLOKOSA-N 0 0 448.350 4.833 50 0 IJAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000013942011 556338852 /nfs/dbraw/zinc/33/88/52/556338852.db2.gz XSYANZDDGWGNCK-CYBMUJFWSA-N 0 0 428.554 4.828 50 0 IJAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)c1)c1ccco1 ZINC000013942702 556340027 /nfs/dbraw/zinc/34/00/27/556340027.db2.gz ZEARZRPAUZXVTE-UHFFFAOYSA-N 0 0 440.411 4.830 50 0 IJAARN O=C(CCCc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000013944476 556341665 /nfs/dbraw/zinc/34/16/65/556341665.db2.gz LHFOULJKYUVYLT-INIZCTEOSA-N 0 0 440.956 4.673 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000013946202 556343708 /nfs/dbraw/zinc/34/37/08/556343708.db2.gz XHDKDJJBVCPODM-UHFFFAOYSA-N 0 0 432.505 4.724 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCc1cccs1 ZINC000013955507 556344915 /nfs/dbraw/zinc/34/49/15/556344915.db2.gz XAUHBQNAUFRPMQ-DEOSSOPVSA-N 0 0 429.545 4.790 50 0 IJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)nc(C)n2)n1 ZINC000011665333 556345753 /nfs/dbraw/zinc/34/57/53/556345753.db2.gz UPAUMDDIHRQCCJ-AREMUKBSSA-N 0 0 439.563 4.956 50 0 IJAARN O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000011667768 556346476 /nfs/dbraw/zinc/34/64/76/556346476.db2.gz LOYMAPDZIWOZTD-RUZDIDTESA-N 0 0 445.494 4.539 50 0 IJAARN Cn1cc(-c2cc(C(=O)Nc3cnn(Cc4cccc(Cl)c4)c3)c3ccccc3n2)cn1 ZINC000013960117 556347362 /nfs/dbraw/zinc/34/73/62/556347362.db2.gz LLENLJVDGNIBHB-UHFFFAOYSA-N 0 0 442.910 4.786 50 0 IJAARN COC(=O)c1sc2cc(NC(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)ccc2c1Cl ZINC000013960307 556347632 /nfs/dbraw/zinc/34/76/32/556347632.db2.gz HRQXFLUPQXYDPQ-UHFFFAOYSA-N 0 0 441.896 4.992 50 0 IJAARN CCCn1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1csc(C)c1CC ZINC000014052266 556358555 /nfs/dbraw/zinc/35/85/55/556358555.db2.gz UIQFDPXAZXTIGA-UHFFFAOYSA-N 0 0 431.612 4.649 50 0 IJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)CCc4ccncc4)CC3)cc2)c1 ZINC000011816537 556359163 /nfs/dbraw/zinc/35/91/63/556359163.db2.gz SHUFBAMPNIPBQZ-UHFFFAOYSA-N 0 0 427.548 4.867 50 0 IJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O ZINC000014095527 556367243 /nfs/dbraw/zinc/36/72/43/556367243.db2.gz KSOTWMANJSWQPF-FQEVSTJZSA-N 0 0 432.568 4.594 50 0 IJAARN O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000032806381 556368607 /nfs/dbraw/zinc/36/86/07/556368607.db2.gz WHEVZWBREJODJV-UHFFFAOYSA-N 0 0 427.533 4.843 50 0 IJAARN Nn1c(Cc2cccc3ccccc32)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000014117025 556370856 /nfs/dbraw/zinc/37/08/56/556370856.db2.gz AFBYAPFQTGBPHS-UHFFFAOYSA-N 0 0 448.939 4.732 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014123419 556372551 /nfs/dbraw/zinc/37/25/51/556372551.db2.gz OBLJSWVVWGARSU-ZDUSSCGKSA-N 0 0 441.881 4.819 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(-c4cccnc4)o3)n2)cc1 ZINC000014125616 556373536 /nfs/dbraw/zinc/37/35/36/556373536.db2.gz CYUPMRPLTYNCIM-CYBMUJFWSA-N 0 0 437.550 4.937 50 0 IJAARN CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(C(=O)CSc1ccncc1)CCO2 ZINC000011909842 556374677 /nfs/dbraw/zinc/37/46/77/556374677.db2.gz XVMBFYQHWHMEND-VWLOTQADSA-N 0 0 434.561 4.721 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000011933401 556376950 /nfs/dbraw/zinc/37/69/50/556376950.db2.gz ROIAIUSOABIWHH-IBGZPJMESA-N 0 0 434.446 4.921 50 0 IJAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000014166236 556379745 /nfs/dbraw/zinc/37/97/45/556379745.db2.gz MABNWBMTLSAMOK-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000014171089 556381526 /nfs/dbraw/zinc/38/15/26/556381526.db2.gz DDERQSBJCJXPRB-UHFFFAOYSA-N 0 0 433.455 4.848 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000014182633 556382850 /nfs/dbraw/zinc/38/28/50/556382850.db2.gz TWUDKVMUYMEVHS-UHFFFAOYSA-N 0 0 427.479 4.638 50 0 IJAARN CCC[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000014182151 556382865 /nfs/dbraw/zinc/38/28/65/556382865.db2.gz IRINFKYLFNVMQK-QGZVFWFLSA-N 0 0 441.622 4.754 50 0 IJAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(F)cc3)n(C)c2=S)c(OC)c1 ZINC000014188768 556386950 /nfs/dbraw/zinc/38/69/50/556386950.db2.gz WUCVBMUWSMHSPX-IBGZPJMESA-N 0 0 428.533 4.569 50 0 IJAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027921 556388255 /nfs/dbraw/zinc/38/82/55/556388255.db2.gz HVGBFOYCLJXOKX-KRWDZBQOSA-N 0 0 448.966 4.805 50 0 IJAARN CCOc1ccccc1-c1nn(CN(Cc2cccs2)C[C@@H]2CCCO2)c(=S)o1 ZINC000014197203 556388811 /nfs/dbraw/zinc/38/88/11/556388811.db2.gz AOUMLWREAXOMBL-INIZCTEOSA-N 0 0 431.583 4.971 50 0 IJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)c4cc5ccccc5oc4=O)C3)ccc2c1 ZINC000012030795 556388831 /nfs/dbraw/zinc/38/88/31/556388831.db2.gz VSNQEMUHWQNZBQ-OAQYLSRUSA-N 0 0 441.483 4.690 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)nc1-c1ccccc1 ZINC000014228053 556395656 /nfs/dbraw/zinc/39/56/56/556395656.db2.gz NPYXCDPYBXMHBR-SFHVURJKSA-N 0 0 439.512 4.545 50 0 IJAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc2ccccc2c1 ZINC000014241560 556401968 /nfs/dbraw/zinc/40/19/68/556401968.db2.gz CXMZJLUVKLGPKP-UHFFFAOYSA-N 0 0 431.561 4.997 50 0 IJAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000014241593 556401992 /nfs/dbraw/zinc/40/19/92/556401992.db2.gz MNTJQJLEKJVTNR-UHFFFAOYSA-N 0 0 443.956 4.881 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n2)cc1 ZINC000032578511 556405275 /nfs/dbraw/zinc/40/52/75/556405275.db2.gz KUPNOLOEZWRHPY-UHFFFAOYSA-N 0 0 443.459 4.632 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578776 556405532 /nfs/dbraw/zinc/40/55/32/556405532.db2.gz DYJFVYBXQQLMIF-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)cc3Br)cc2)n1 ZINC000032578911 556406040 /nfs/dbraw/zinc/40/60/40/556406040.db2.gz IHRSAHJKKOTXNC-UHFFFAOYSA-N 0 0 434.265 4.779 50 0 IJAARN COc1ccc(CNC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032579130 556406273 /nfs/dbraw/zinc/40/62/73/556406273.db2.gz WUWYZGJOCWARPN-UHFFFAOYSA-N 0 0 429.476 4.563 50 0 IJAARN C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000014251671 556409284 /nfs/dbraw/zinc/40/92/84/556409284.db2.gz UNABDHQHUWJTBD-NGVVTVSOSA-N 0 0 439.625 4.517 50 0 IJAARN Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(C(C)C)cc2)n1 ZINC000032623658 556410749 /nfs/dbraw/zinc/41/07/49/556410749.db2.gz MKDYOTYJDKXOQC-UHFFFAOYSA-N 0 0 444.940 4.755 50 0 IJAARN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000012972246 556419202 /nfs/dbraw/zinc/41/92/02/556419202.db2.gz DTHOWOUXEWEHHC-UHFFFAOYSA-N 0 0 428.598 4.748 50 0 IJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)o1 ZINC000012979046 556423374 /nfs/dbraw/zinc/42/33/74/556423374.db2.gz JYZDKWBDHJAOHG-ZNMIVQPWSA-N 0 0 427.501 4.807 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1S[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012983562 556425698 /nfs/dbraw/zinc/42/56/98/556425698.db2.gz LEBOPGAFHYMSLX-NRFANRHFSA-N 0 0 425.550 4.571 50 0 IJAARN Cc1cc(CN2CCN(C(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)no1 ZINC000032841680 556427305 /nfs/dbraw/zinc/42/73/05/556427305.db2.gz BESMSFSZTAKGDH-UHFFFAOYSA-N 0 0 444.560 4.732 50 0 IJAARN C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000032847954 556430615 /nfs/dbraw/zinc/43/06/15/556430615.db2.gz NIOCKVARKBNYEO-MRXNPFEDSA-N 0 0 428.458 4.975 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012996136 556431061 /nfs/dbraw/zinc/43/10/61/556431061.db2.gz DTVNGSYOGXWFQC-QHCPKHFHSA-N 0 0 442.987 4.671 50 0 IJAARN COc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1Br ZINC000012998576 556432279 /nfs/dbraw/zinc/43/22/79/556432279.db2.gz RRWDZFCYTPGRQT-LLVKDONJSA-N 0 0 435.343 4.909 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000013002048 556433789 /nfs/dbraw/zinc/43/37/89/556433789.db2.gz ZXYFJZSSMKNWJF-KRWDZBQOSA-N 0 0 442.357 4.678 50 0 IJAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000032857495 556433839 /nfs/dbraw/zinc/43/38/39/556433839.db2.gz IZNLKMLSZPBXRZ-FQEVSTJZSA-N 0 0 440.956 4.766 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OCC ZINC000013002544 556434216 /nfs/dbraw/zinc/43/42/16/556434216.db2.gz CJULPMPJKFQHHM-MRXNPFEDSA-N 0 0 446.594 4.662 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OCC ZINC000013008375 556435292 /nfs/dbraw/zinc/43/52/92/556435292.db2.gz CQTIKLULPFIBEP-UHFFFAOYSA-N 0 0 430.570 4.525 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C1 ZINC000027945155 556435887 /nfs/dbraw/zinc/43/58/87/556435887.db2.gz HFAHGUJXOVZMEE-UZLBHIALSA-N 0 0 431.989 4.520 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000011025935 556436258 /nfs/dbraw/zinc/43/62/58/556436258.db2.gz ULYMSGXHVLUPPK-UHFFFAOYSA-N 0 0 434.717 4.743 50 0 IJAARN C[C@@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)c1ccc(Br)cc1 ZINC000013015536 556437308 /nfs/dbraw/zinc/43/73/08/556437308.db2.gz PBTIHAXQSFTANW-CYBMUJFWSA-N 0 0 446.322 4.913 50 0 IJAARN O=C(CCc1nc(-c2ccco2)no1)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000013020448 556439640 /nfs/dbraw/zinc/43/96/40/556439640.db2.gz GRXMERXTOJXJMB-UHFFFAOYSA-N 0 0 449.307 4.861 50 0 IJAARN COc1ccc(-c2nc(CCNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000027993734 556440676 /nfs/dbraw/zinc/44/06/76/556440676.db2.gz XNMSXYUNSJPARC-UHFFFAOYSA-N 0 0 430.957 4.827 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)c2O1 ZINC000013027909 556441091 /nfs/dbraw/zinc/44/10/91/556441091.db2.gz IVSXUHDIWXUNLM-KRWDZBQOSA-N 0 0 438.549 4.601 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1cccc(F)c1)Nc1ccc(Br)cc1 ZINC000028000724 556441569 /nfs/dbraw/zinc/44/15/69/556441569.db2.gz CRYXNXXHIOVBEZ-UHFFFAOYSA-N 0 0 443.272 4.858 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2coc(-c3cccs3)n2)Cc2ccco2)cc1 ZINC000032957823 556444902 /nfs/dbraw/zinc/44/49/02/556444902.db2.gz LDTGKNOITZFNEG-UHFFFAOYSA-N 0 0 444.534 4.786 50 0 IJAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000072272635 556445562 /nfs/dbraw/zinc/44/55/62/556445562.db2.gz PHDKLXGWICJSIX-RSXGOPAZSA-N 0 0 430.523 4.665 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013040768 556446556 /nfs/dbraw/zinc/44/65/56/556446556.db2.gz NNZCKNYKPGWWRA-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)c3ccc(Br)o3)n2)cc1OC ZINC000028286879 556447652 /nfs/dbraw/zinc/44/76/52/556447652.db2.gz NWVXCOCZORPJAE-UHFFFAOYSA-N 0 0 438.303 4.610 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028288441 556448268 /nfs/dbraw/zinc/44/82/68/556448268.db2.gz NMVBGNUCPZMPNP-OAQYLSRUSA-N 0 0 438.955 4.966 50 0 IJAARN Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)cc(=O)c2cc1Cl ZINC000028288927 556448505 /nfs/dbraw/zinc/44/85/05/556448505.db2.gz JIABOKAOAXHMKK-QGZVFWFLSA-N 0 0 430.957 4.773 50 0 IJAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032868658 556448869 /nfs/dbraw/zinc/44/88/69/556448869.db2.gz UUQIVZLZLOZDQG-AWEZNQCLSA-N 0 0 433.489 4.780 50 0 IJAARN COc1ccc(C[C@]2(CCC(=O)N(C)Cc3ccc(F)cc3)CCC(=O)N2)c2ccccc12 ZINC000014883269 556454671 /nfs/dbraw/zinc/45/46/71/556454671.db2.gz KXNWAHZWKHPCSR-HHHXNRCGSA-N 0 0 448.538 4.618 50 0 IJAARN CC[C@H](NC(=O)CCCOc1ccccc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275056 556455029 /nfs/dbraw/zinc/45/50/29/556455029.db2.gz QOJOUUBKIZMHRQ-SFHVURJKSA-N 0 0 444.329 4.926 50 0 IJAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1cccc2ncccc21 ZINC000028502382 556456082 /nfs/dbraw/zinc/45/60/82/556456082.db2.gz MGHAOHZQUMGGNX-CYBMUJFWSA-N 0 0 441.607 4.922 50 0 IJAARN CC(=O)N(c1nc(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cs1)c1ccc(C)c(C)c1 ZINC000013096578 556457271 /nfs/dbraw/zinc/45/72/71/556457271.db2.gz UIJLNZITKUDXJZ-DFNIBXOVSA-N 0 0 440.565 4.883 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000013098094 556458825 /nfs/dbraw/zinc/45/88/25/556458825.db2.gz NSHIUNLISZBBCZ-INIZCTEOSA-N 0 0 443.956 4.888 50 0 IJAARN CC1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)CC1 ZINC000028777786 556460734 /nfs/dbraw/zinc/46/07/34/556460734.db2.gz HOKMZTVXTNEVBR-OGRDWSCISA-N 0 0 437.971 4.857 50 0 IJAARN OCCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(Br)c1 ZINC000028795748 556461037 /nfs/dbraw/zinc/46/10/37/556461037.db2.gz CIDXMHNPZNMHCF-OAQYLSRUSA-N 0 0 436.309 4.809 50 0 IJAARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000014958194 556463122 /nfs/dbraw/zinc/46/31/22/556463122.db2.gz VYZZCIMXMREIOD-SXOMAYOGSA-N 0 0 436.571 4.624 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)n1 ZINC000013112995 556466147 /nfs/dbraw/zinc/46/61/47/556466147.db2.gz CBKXNVMGKQHYMA-UHFFFAOYSA-N 0 0 441.579 4.849 50 0 IJAARN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCCC(c1ccccc1)c1ccccc1 ZINC000014970523 556466863 /nfs/dbraw/zinc/46/68/63/556466863.db2.gz IBKSCUIRYMTTCB-MHZLTWQESA-N 0 0 430.548 4.590 50 0 IJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000013117174 556469506 /nfs/dbraw/zinc/46/95/06/556469506.db2.gz OXZXFQGAZILIGY-UHFFFAOYSA-N 0 0 432.593 4.718 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)NCc1ccco1 ZINC000013117490 556470131 /nfs/dbraw/zinc/47/01/31/556470131.db2.gz JRUIZNYAXIJKAE-AWEZNQCLSA-N 0 0 442.928 4.630 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1sccc1C)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117840 556470740 /nfs/dbraw/zinc/47/07/40/556470740.db2.gz WKGDLDJEFKCQGH-HNNXBMFYSA-N 0 0 433.599 4.815 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n2C)cc1 ZINC000013120737 556472614 /nfs/dbraw/zinc/47/26/14/556472614.db2.gz DGBMMXAQVUAZKD-OAHLLOKOSA-N 0 0 437.594 4.712 50 0 IJAARN COCC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 ZINC000029338345 556473054 /nfs/dbraw/zinc/47/30/54/556473054.db2.gz QKQCFVADBQZUNZ-UHFFFAOYSA-N 0 0 445.450 4.985 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000014987466 556473307 /nfs/dbraw/zinc/47/33/07/556473307.db2.gz YXXWQBFFLNUUIZ-XMMPIXPASA-N 0 0 439.490 4.612 50 0 IJAARN CCc1cccc2c(-c3nc(CC(=O)N4CCOCC4)sc3-c3ccccc3)c[nH]c21 ZINC000013126111 556475510 /nfs/dbraw/zinc/47/55/10/556475510.db2.gz VMRQBNXKVMBRJU-UHFFFAOYSA-N 0 0 431.561 4.922 50 0 IJAARN Cc1ccc(C(=O)C2CCN(Cn3c(=O)oc4cc(Br)ccc43)CC2)c(C)c1 ZINC000029539845 556477569 /nfs/dbraw/zinc/47/75/69/556477569.db2.gz XCXDVBVXVNYEEF-UHFFFAOYSA-N 0 0 443.341 4.526 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3Br)n[nH]2)cc1 ZINC000013128708 556478165 /nfs/dbraw/zinc/47/81/65/556478165.db2.gz QAIOTVCXYFIAOC-UHFFFAOYSA-N 0 0 431.359 4.836 50 0 IJAARN CC(C)(C)c1ccc(C(=O)O[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013131800 556480756 /nfs/dbraw/zinc/48/07/56/556480756.db2.gz CRXUTYKGPPFVNY-RPWUZVMVSA-N 0 0 449.572 4.785 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CCn2c(C)nc3ccccc3c2=O)s1 ZINC000029788194 556482852 /nfs/dbraw/zinc/48/28/52/556482852.db2.gz MMOLHXBCCRXACT-UHFFFAOYSA-N 0 0 445.588 4.736 50 0 IJAARN O=C1CCCN1CCCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000013135124 556483488 /nfs/dbraw/zinc/48/34/88/556483488.db2.gz RYOXUBUDTIRRMU-UHFFFAOYSA-N 0 0 431.359 4.545 50 0 IJAARN O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000013138899 556485718 /nfs/dbraw/zinc/48/57/18/556485718.db2.gz RJXGBOKMXHUNRM-UHFFFAOYSA-N 0 0 447.318 4.666 50 0 IJAARN COc1ccc(CC(=O)N2CCC(n3c(C)nc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000015070442 556495365 /nfs/dbraw/zinc/49/53/65/556495365.db2.gz WLQHQWIAJXEVFZ-UHFFFAOYSA-N 0 0 431.458 4.778 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCCc1ccccc1F ZINC000015071670 556496348 /nfs/dbraw/zinc/49/63/48/556496348.db2.gz WIJFNIOUXRVDEB-NDEPHWFRSA-N 0 0 444.550 4.823 50 0 IJAARN CC(C)Cc1ccc([C@H](NC(=O)Cn2ncc3ccccc3c2=O)c2cccs2)cc1 ZINC000030564703 556498057 /nfs/dbraw/zinc/49/80/57/556498057.db2.gz IGGTVMIWLOFWKR-DEOSSOPVSA-N 0 0 431.561 4.562 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000015073947 556498142 /nfs/dbraw/zinc/49/81/42/556498142.db2.gz VSUFQWAPRSBLKB-UHFFFAOYSA-N 0 0 432.973 4.758 50 0 IJAARN COc1ccc(Cc2noc(CN3CCc4c5ccccc5[nH]c4[C@@H]3C(C)C)n2)cc1OC ZINC000015077627 556499523 /nfs/dbraw/zinc/49/95/23/556499523.db2.gz BHLZXLNWXQGEAU-SANMLTNESA-N 0 0 446.551 4.914 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1OC ZINC000015106979 556504277 /nfs/dbraw/zinc/50/42/77/556504277.db2.gz SROAPTQWFJCOMA-AWEZNQCLSA-N 0 0 441.505 4.629 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1OC ZINC000013424398 556505544 /nfs/dbraw/zinc/50/55/44/556505544.db2.gz LQNVFPAJVIJNAZ-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)CC1 ZINC000030785843 556505768 /nfs/dbraw/zinc/50/57/68/556505768.db2.gz QKMVRUCHGHLCFI-UHFFFAOYSA-N 0 0 440.952 4.579 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013463749 556506550 /nfs/dbraw/zinc/50/65/50/556506550.db2.gz YZAHQRBQDVBRAV-UHFFFAOYSA-N 0 0 432.368 4.863 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc2nsnc21 ZINC000013483869 556508516 /nfs/dbraw/zinc/50/85/16/556508516.db2.gz BPIUHZRWBPYPIK-UHFFFAOYSA-N 0 0 438.321 4.779 50 0 IJAARN Cc1[nH]c2ccc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)cc2c1C ZINC000032882720 556509365 /nfs/dbraw/zinc/50/93/65/556509365.db2.gz IJFVIRRHMPIHTB-UHFFFAOYSA-N 0 0 436.515 4.864 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccccc2Cc2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000015186871 556509664 /nfs/dbraw/zinc/50/96/64/556509664.db2.gz ANLDPORIXVOVIJ-QHCPKHFHSA-N 0 0 431.532 4.914 50 0 IJAARN O=C(Nc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1)c1ccc(F)cc1 ZINC000030867403 556512572 /nfs/dbraw/zinc/51/25/72/556512572.db2.gz VXDZBUYTZQCPCM-XMMPIXPASA-N 0 0 425.463 4.992 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1cccc(Cl)c1)[C@H]3c1ccccc1 ZINC000013540749 556513556 /nfs/dbraw/zinc/51/35/56/556513556.db2.gz QTNYXYXSXJMQJH-LJQANCHMSA-N 0 0 428.883 4.866 50 0 IJAARN C[C@H](NCc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000032891548 556519220 /nfs/dbraw/zinc/51/92/20/556519220.db2.gz WSTNJHIGSOSNMO-HNNXBMFYSA-N 0 0 433.895 4.619 50 0 IJAARN CCn1c(SCC(=O)N2N=CC[C@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000013591398 556529722 /nfs/dbraw/zinc/52/97/22/556529722.db2.gz GZDDJMFBMPHJGC-SFHVURJKSA-N 0 0 425.945 4.670 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000013592527 556530636 /nfs/dbraw/zinc/53/06/36/556530636.db2.gz YGCFDTYCTCAPNP-UHFFFAOYSA-N 0 0 430.493 4.771 50 0 IJAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032901022 556535315 /nfs/dbraw/zinc/53/53/15/556535315.db2.gz GGZULWWAXZNRCN-YKSBVNFPSA-N 0 0 428.488 4.784 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000015604944 556537457 /nfs/dbraw/zinc/53/74/57/556537457.db2.gz KNNWUDVFOCSEGI-FQEVSTJZSA-N 0 0 433.474 4.689 50 0 IJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000015608018 556537728 /nfs/dbraw/zinc/53/77/28/556537728.db2.gz IWAXDIOIQVQXFY-UHFFFAOYSA-N 0 0 431.458 4.614 50 0 IJAARN Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)o1 ZINC000013640993 556542242 /nfs/dbraw/zinc/54/22/42/556542242.db2.gz KSSADDXNODDLPX-UHFFFAOYSA-N 0 0 448.350 4.740 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCCn1ccnc1)C3=O ZINC000015671149 556542360 /nfs/dbraw/zinc/54/23/60/556542360.db2.gz JBKZGEXEYKLAIV-NRFANRHFSA-N 0 0 433.895 4.587 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000013642458 556542611 /nfs/dbraw/zinc/54/26/11/556542611.db2.gz VBQFCCZPAYUVIS-UHFFFAOYSA-N 0 0 428.389 4.826 50 0 IJAARN O[C@]1(C(F)F)CC(c2ccccc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013642928 556542900 /nfs/dbraw/zinc/54/29/00/556542900.db2.gz NXGNWPZRDOXDLU-SFHVURJKSA-N 0 0 440.397 4.792 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCc2ccsc2)c1 ZINC000015720107 556544875 /nfs/dbraw/zinc/54/48/75/556544875.db2.gz NFBNOEPDOYHZGC-UHFFFAOYSA-N 0 0 432.592 4.543 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CCN4CCCCC4)c3=O)c21 ZINC000013655426 556546053 /nfs/dbraw/zinc/54/60/53/556546053.db2.gz DLGOIHYNJBJRDX-UHFFFAOYSA-N 0 0 439.972 4.516 50 0 IJAARN O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1c(F)cccc1Cl ZINC000013655788 556546352 /nfs/dbraw/zinc/54/63/52/556546352.db2.gz HCSUADWAOQGFBA-UHFFFAOYSA-N 0 0 437.854 4.948 50 0 IJAARN CCCCOc1ccc(CNC(=O)CCc2ccc3nc(NC(C)=O)sc3c2)cc1 ZINC000032959386 556547186 /nfs/dbraw/zinc/54/71/86/556547186.db2.gz CHHMBPCTCQAJAG-UHFFFAOYSA-N 0 0 425.554 4.683 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)ccc21 ZINC000032722095 556547765 /nfs/dbraw/zinc/54/77/65/556547765.db2.gz SMTFDYVTZDAIMX-UHFFFAOYSA-N 0 0 438.483 4.930 50 0 IJAARN COc1ccc(CCC(=O)N2CCN([C@H](C)c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC000072304873 556549671 /nfs/dbraw/zinc/54/96/71/556549671.db2.gz CLSKDMGMMMSZGR-HXUWFJFHSA-N 0 0 432.564 4.695 50 0 IJAARN CCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(OC(C)C)cc3)cc2s1 ZINC000032959488 556549754 /nfs/dbraw/zinc/54/97/54/556549754.db2.gz MVRRETKCDDAYFO-UHFFFAOYSA-N 0 0 425.554 4.681 50 0 IJAARN CCOc1ccc(CN2CCc3nc(Nc4ccccc4OC)ncc3C2)cc1OCC ZINC000015778869 556550836 /nfs/dbraw/zinc/55/08/36/556550836.db2.gz MOIKKRKDONCKBH-UHFFFAOYSA-N 0 0 434.540 4.585 50 0 IJAARN COc1ccc(C(=O)Nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2OC)cc1 ZINC000032998330 556552261 /nfs/dbraw/zinc/55/22/61/556552261.db2.gz OOXUUIMNIBBIEF-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCCCC2)CC1 ZINC000033115110 556554295 /nfs/dbraw/zinc/55/42/95/556554295.db2.gz LUWUZUJHEDTCKT-IBGZPJMESA-N 0 0 436.600 4.508 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115383 556554929 /nfs/dbraw/zinc/55/49/29/556554929.db2.gz LMIOZQVMRYLNHD-UHFFFAOYSA-N 0 0 426.582 4.666 50 0 IJAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2OC)cc1 ZINC000015835481 556555349 /nfs/dbraw/zinc/55/53/49/556555349.db2.gz NCWVNJSAIUKQEI-SANMLTNESA-N 0 0 430.504 4.812 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1C ZINC000033115554 556555469 /nfs/dbraw/zinc/55/54/69/556555469.db2.gz IGWAKVWUOLYSMW-UHFFFAOYSA-N 0 0 426.582 4.585 50 0 IJAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Br)c(C)n3)cs2)cc1 ZINC000072305642 556556160 /nfs/dbraw/zinc/55/61/60/556556160.db2.gz VDEZJMPGOREYOQ-UHFFFAOYSA-N 0 0 432.343 4.678 50 0 IJAARN CSc1nn(Cc2ccc(Cl)cc2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839135 556556378 /nfs/dbraw/zinc/55/63/78/556556378.db2.gz DQTVEAGHTKMPQH-UHFFFAOYSA-N 0 0 436.968 4.815 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1OC ZINC000015842360 556556943 /nfs/dbraw/zinc/55/69/43/556556943.db2.gz ASPWBMCXOADYNA-UHFFFAOYSA-N 0 0 441.535 4.910 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)cc1OC ZINC000013682073 556557305 /nfs/dbraw/zinc/55/73/05/556557305.db2.gz MEVACXYRIHMZSB-UHFFFAOYSA-N 0 0 435.549 4.694 50 0 IJAARN CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 ZINC000015859644 556558223 /nfs/dbraw/zinc/55/82/23/556558223.db2.gz HUDIIASPFBCNHX-FQEVSTJZSA-N 0 0 439.581 4.504 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c(C)c1 ZINC000033274768 556559250 /nfs/dbraw/zinc/55/92/50/556559250.db2.gz YKTYJBPTZODHHT-UHFFFAOYSA-N 0 0 440.609 4.832 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290414 556559762 /nfs/dbraw/zinc/55/97/62/556559762.db2.gz PGCOGTUIVFLAOJ-UHFFFAOYSA-N 0 0 434.927 4.605 50 0 IJAARN CCOC(=O)c1sc2ncnc(N[C@@H](CC(=O)OC(C)C)c3ccccc3)c2c1C ZINC000072307597 556562740 /nfs/dbraw/zinc/56/27/40/556562740.db2.gz RNCVALBBVAJARA-INIZCTEOSA-N 0 0 427.526 4.671 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308200 556564546 /nfs/dbraw/zinc/56/45/46/556564546.db2.gz QFHDBCCERPLQLG-RDJZCZTQSA-N 0 0 425.920 4.505 50 0 IJAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000015982826 556571058 /nfs/dbraw/zinc/57/10/58/556571058.db2.gz MSIQYRDMUYUYIV-XMMPIXPASA-N 0 0 446.572 4.513 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1 ZINC000032960953 556571556 /nfs/dbraw/zinc/57/15/56/556571556.db2.gz XWASFGNBWZOBTF-TZIWHRDSSA-N 0 0 449.595 4.739 50 0 IJAARN Cc1cc(C)cc(N(C(=O)Cn2cnc3ccccc3c2=O)c2nc3ccccc3s2)c1 ZINC000016005654 556573297 /nfs/dbraw/zinc/57/32/97/556573297.db2.gz XRIOJFFBDVRMNC-UHFFFAOYSA-N 0 0 440.528 4.988 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C ZINC000016035476 556577435 /nfs/dbraw/zinc/57/74/35/556577435.db2.gz LVLYSEFDFDAHTR-LPHOPBHVSA-N 0 0 437.569 4.831 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1 ZINC000034713101 556581251 /nfs/dbraw/zinc/58/12/51/556581251.db2.gz WECLCQVLJLXCDJ-QGZVFWFLSA-N 0 0 428.941 4.951 50 0 IJAARN COc1cccc(COc2ccc(-c3nc(C(=O)N4CCSCC4)cs3)c(F)c2)c1 ZINC000034723058 556581665 /nfs/dbraw/zinc/58/16/65/556581665.db2.gz BUFBVEPXTYCRJT-UHFFFAOYSA-N 0 0 444.553 4.726 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)NCc3ccccc3)cc2)C1=O ZINC000034737093 556582030 /nfs/dbraw/zinc/58/20/30/556582030.db2.gz FXFYYHZPRMBKIY-UHFFFAOYSA-N 0 0 444.535 4.849 50 0 IJAARN COc1ccc(CC[C@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000060137693 556582015 /nfs/dbraw/zinc/58/20/15/556582015.db2.gz IQQCLWLCFCXJRS-NBGIEHNGSA-N 0 0 430.548 4.694 50 0 IJAARN COc1ccccc1OCc1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000034799376 556582541 /nfs/dbraw/zinc/58/25/41/556582541.db2.gz WFBRYCDXWIWMQX-UHFFFAOYSA-N 0 0 443.912 4.605 50 0 IJAARN C[C@@H]1CCCCN1C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920624 556586606 /nfs/dbraw/zinc/58/66/06/556586606.db2.gz WHCXCARKAJMGDH-VQIMIIECSA-N 0 0 438.490 4.608 50 0 IJAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCCCCC2)CCC3)cc1 ZINC000016192726 556588707 /nfs/dbraw/zinc/58/87/07/556588707.db2.gz UQLOODUWBYYEGV-UHFFFAOYSA-N 0 0 441.597 4.702 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1Cl ZINC000032971514 556589356 /nfs/dbraw/zinc/58/93/56/556589356.db2.gz KFQFFZZYQRWXKO-UHFFFAOYSA-N 0 0 427.957 4.782 50 0 IJAARN O=c1/c(=C/c2ccc(OCCOc3ccccc3Cl)cc2)sc2nc3ccccc3n12 ZINC000016213472 556591156 /nfs/dbraw/zinc/59/11/56/556591156.db2.gz JGNVQEQIEFKEJB-JCMHNJIXSA-N 0 0 448.931 4.568 50 0 IJAARN COc1cc(CC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)cc(OC)c1OC ZINC000032912926 556593736 /nfs/dbraw/zinc/59/37/36/556593736.db2.gz UEENRDLBBNYZLM-UHFFFAOYSA-N 0 0 437.540 4.685 50 0 IJAARN CCOc1c(Cl)cc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OC ZINC000016262325 556595133 /nfs/dbraw/zinc/59/51/33/556595133.db2.gz YXXZPDFNTHEBFY-GOSISDBHSA-N 0 0 434.323 4.654 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356428 556601897 /nfs/dbraw/zinc/60/18/97/556601897.db2.gz TUQSNLMKONXHAQ-AWEZNQCLSA-N 0 0 444.869 4.551 50 0 IJAARN O=C(Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1ccccn1 ZINC000037397577 556602894 /nfs/dbraw/zinc/60/28/94/556602894.db2.gz QYKIDXJMMJHDFP-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000016400395 556605457 /nfs/dbraw/zinc/60/54/57/556605457.db2.gz YTZXSXPUESMJRJ-HNNXBMFYSA-N 0 0 446.320 4.856 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ncnc3c4cccnc4sc32)CC1 ZINC000032985948 556605507 /nfs/dbraw/zinc/60/55/07/556605507.db2.gz QVDOWRYOYUUENC-KRWDZBQOSA-N 0 0 445.592 4.593 50 0 IJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000032914458 556607766 /nfs/dbraw/zinc/60/77/66/556607766.db2.gz LZGAWTDIXXMHKT-MRXNPFEDSA-N 0 0 429.563 4.564 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)c1 ZINC000032994461 556609490 /nfs/dbraw/zinc/60/94/90/556609490.db2.gz AFMURJQTBOPOAZ-UHFFFAOYSA-N 0 0 442.515 4.642 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000032996040 556611251 /nfs/dbraw/zinc/61/12/51/556611251.db2.gz NWHLLDMOIVPJPA-NZQKXSOJSA-N 0 0 443.572 4.782 50 0 IJAARN O=C(Nc1cccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)c1)c1ccco1 ZINC000032996621 556612129 /nfs/dbraw/zinc/61/21/29/556612129.db2.gz PKIMWRKPBKFDIB-UHFFFAOYSA-N 0 0 442.475 4.875 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2cc(Cl)ccc2C)c3=O)cc1 ZINC000038487080 556612849 /nfs/dbraw/zinc/61/28/49/556612849.db2.gz WEWCLEWLZUILSF-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(C(C)C)cc2)c3=O)cc1 ZINC000038487101 556612890 /nfs/dbraw/zinc/61/28/90/556612890.db2.gz OKNPNQWIUJLCDG-UHFFFAOYSA-N 0 0 433.533 4.896 50 0 IJAARN Cn1c2ccc(Br)cc2c(Cl)c1C(=O)Nc1ccccc1N1CCCC1=O ZINC000032915818 556613010 /nfs/dbraw/zinc/61/30/10/556613010.db2.gz SOOJKMPVFCTDMG-UHFFFAOYSA-N 0 0 446.732 4.973 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000016678261 556622905 /nfs/dbraw/zinc/62/29/05/556622905.db2.gz YIUCNNZWJLKEIR-UHFFFAOYSA-N 0 0 443.547 4.690 50 0 IJAARN CCC(=O)N=c1n(CC(=O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000100630238 556636748 /nfs/dbraw/zinc/63/67/48/556636748.db2.gz WEGXHFVQMMWKPS-RFBIWTDZSA-N 0 0 431.923 4.865 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCO)C3=O ZINC000016752027 556637916 /nfs/dbraw/zinc/63/79/16/556637916.db2.gz DVVGUGHABKWLIC-OAQYLSRUSA-N 0 0 439.939 4.980 50 0 IJAARN O=C(NCc1cccnc1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037526397 556639331 /nfs/dbraw/zinc/63/93/31/556639331.db2.gz BQKRSTITSSTMJN-UHFFFAOYSA-N 0 0 426.339 4.839 50 0 IJAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000016790684 556642769 /nfs/dbraw/zinc/64/27/69/556642769.db2.gz VAMSKRBBMAUQEJ-OAHLLOKOSA-N 0 0 440.824 4.765 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)N2C(=O)CCSC2=N1 ZINC000016805205 556643344 /nfs/dbraw/zinc/64/33/44/556643344.db2.gz VGASOQAKIXPHTE-QGZVFWFLSA-N 0 0 427.353 4.843 50 0 IJAARN CCc1ccc(NC(=O)c2nnc(COC(=O)c3cc4ccccc4cc3OC)s2)cc1 ZINC000032922253 556645052 /nfs/dbraw/zinc/64/50/52/556645052.db2.gz JWOKBWBKBQLWKB-UHFFFAOYSA-N 0 0 447.516 4.872 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000016846422 556647074 /nfs/dbraw/zinc/64/70/74/556647074.db2.gz CAHAATGQHXFVKO-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)cc3)n2)cc1 ZINC000016846561 556647390 /nfs/dbraw/zinc/64/73/90/556647390.db2.gz YCRJBADXQIGJRW-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000016973299 556651780 /nfs/dbraw/zinc/65/17/80/556651780.db2.gz BTILXKBJQPIKLJ-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)cc1 ZINC000011758394 556652697 /nfs/dbraw/zinc/65/26/97/556652697.db2.gz KNIJQCXILAEZCK-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000011758567 556653186 /nfs/dbraw/zinc/65/31/86/556653186.db2.gz ADGSFXNJUZZCHG-UHFFFAOYSA-N 0 0 430.320 4.551 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NCCCc1ccccc1 ZINC000038654793 556653962 /nfs/dbraw/zinc/65/39/62/556653962.db2.gz ORVDPGKUWGGGBO-UHFFFAOYSA-N 0 0 445.592 4.987 50 0 IJAARN O=C(COc1ccc2oc3ccccc3c2c1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000032926457 556655399 /nfs/dbraw/zinc/65/53/99/556655399.db2.gz BZUZCCKROPACGV-UHFFFAOYSA-N 0 0 446.478 4.525 50 0 IJAARN Cc1ccc(NC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)c(Br)c1 ZINC000033008993 556656226 /nfs/dbraw/zinc/65/62/26/556656226.db2.gz FTTLCVVHCYOHNZ-UHFFFAOYSA-N 0 0 442.338 4.849 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1 ZINC000033007652 556656482 /nfs/dbraw/zinc/65/64/82/556656482.db2.gz VNYDZSILQWCIEH-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1ccc2nc(NC(=O)c3c(C)nn(Cc4ccc(F)cc4)c3Cl)sc2c1 ZINC000011807014 556657740 /nfs/dbraw/zinc/65/77/40/556657740.db2.gz TWDSLOLXVIPPDB-UHFFFAOYSA-N 0 0 430.892 4.903 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccccc3Cl)cc2)s1 ZINC000033011232 556659851 /nfs/dbraw/zinc/65/98/51/556659851.db2.gz VNAHNKHTMMBBLG-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)n1C ZINC000017096263 556659966 /nfs/dbraw/zinc/65/99/66/556659966.db2.gz GPIBZBGQSDCENC-UHFFFAOYSA-N 0 0 428.989 4.915 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(c2ccccc2)CC1 ZINC000017096238 556659976 /nfs/dbraw/zinc/65/99/76/556659976.db2.gz UCYURTNMSMEMHM-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(C)cccc23)CC1 ZINC000017097593 556662021 /nfs/dbraw/zinc/66/20/21/556662021.db2.gz ILSFTIICNADSBY-UHFFFAOYSA-N 0 0 431.536 4.741 50 0 IJAARN COc1cccc([C@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000011852683 556662619 /nfs/dbraw/zinc/66/26/19/556662619.db2.gz QQPYSSRVXYDNEL-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN O=c1nc(N2CCN(Cc3ccccc3)CC2)[nH]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169355 556666387 /nfs/dbraw/zinc/66/63/87/556666387.db2.gz SJJASNQAZTURBP-UHFFFAOYSA-N 0 0 436.968 4.627 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3nc(-c4ccccc4Cl)sc3C)CC2)c1 ZINC000011866555 556666700 /nfs/dbraw/zinc/66/67/00/556666700.db2.gz ILCGDUJXCRQUHS-UHFFFAOYSA-N 0 0 427.957 4.743 50 0 IJAARN CCC1=CO[C@](CC)([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)CC1 ZINC000013511956 556667667 /nfs/dbraw/zinc/66/76/67/556667667.db2.gz SCQXXMAARAHUFR-HZLPDVBGSA-N 0 0 432.520 4.618 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1)c1ccco1 ZINC000011916198 556673081 /nfs/dbraw/zinc/67/30/81/556673081.db2.gz YTUZNRKEUVBHLD-UHFFFAOYSA-N 0 0 432.501 4.927 50 0 IJAARN Cc1ccc(C)c(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2Br)c1 ZINC000100798960 556675450 /nfs/dbraw/zinc/67/54/50/556675450.db2.gz MPWFEFBVXHANCI-IBGZPJMESA-N 0 0 436.689 4.668 50 0 IJAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000018210628 556687080 /nfs/dbraw/zinc/68/70/80/556687080.db2.gz JKDSPMMBEZXWDZ-UHFFFAOYSA-N 0 0 433.596 4.832 50 0 IJAARN COc1ccccc1OCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000018324248 556689681 /nfs/dbraw/zinc/68/96/81/556689681.db2.gz CJFAFPKDZKVGDI-UHFFFAOYSA-N 0 0 448.544 4.997 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCCCCC1 ZINC000046006256 556690390 /nfs/dbraw/zinc/69/03/90/556690390.db2.gz PJPWBPMCJDMDJA-UHFFFAOYSA-N 0 0 438.547 4.910 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000046006634 556690635 /nfs/dbraw/zinc/69/06/35/556690635.db2.gz WCZGYMDOWOJKQB-UHFFFAOYSA-N 0 0 436.462 4.895 50 0 IJAARN Cc1nc2nc(-c3ccccc3)nn2c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046023771 556691153 /nfs/dbraw/zinc/69/11/53/556691153.db2.gz URHHFDWICXGTMS-UHFFFAOYSA-N 0 0 425.414 4.608 50 0 IJAARN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000033025291 556699688 /nfs/dbraw/zinc/69/96/88/556699688.db2.gz IFUKCMHAJYGDCJ-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026624 556703294 /nfs/dbraw/zinc/70/32/94/556703294.db2.gz KBYRHXRBCBTXRK-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3ccccc3)CO4)c2=O)cc1OC ZINC000013689463 556711444 /nfs/dbraw/zinc/71/14/44/556711444.db2.gz AEPCQXQZRSYLRK-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 biogenic IJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4F)c3)C2)cc1 ZINC000033034759 556717110 /nfs/dbraw/zinc/71/71/10/556717110.db2.gz KBXZYPYKLCRYBM-HSZRJFAPSA-N 0 0 446.522 4.784 50 0 IJAARN O=C1[C@@H]2[C@H]3C[C@H]([C@@H]4ON=C(c5ccccc5Cl)[C@H]34)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013719711 556717960 /nfs/dbraw/zinc/71/79/60/556717960.db2.gz VOBRPUMLTGDMEW-NWHBDHKZSA-N 0 0 442.902 4.668 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccsc3c2=O)cc1C ZINC000072328273 556724931 /nfs/dbraw/zinc/72/49/31/556724931.db2.gz AXZVPNOZVFDWCT-UHFFFAOYSA-N 0 0 449.601 4.515 50 0 IJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000061718770 556725532 /nfs/dbraw/zinc/72/55/32/556725532.db2.gz GTFJHTYQQLBFAU-UHFFFAOYSA-N 0 0 439.566 4.912 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1Cl ZINC000072328718 556726494 /nfs/dbraw/zinc/72/64/94/556726494.db2.gz WSSGFPNXCRMWKN-UHFFFAOYSA-N 0 0 438.959 4.708 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)[nH]n1 ZINC000072331264 556730046 /nfs/dbraw/zinc/73/00/46/556730046.db2.gz OMGXBYYSIFCCMN-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000019296809 556734523 /nfs/dbraw/zinc/73/45/23/556734523.db2.gz FVVPYIDNWADPBY-OAQYLSRUSA-N 0 0 435.307 4.512 50 0 IJAARN COc1ccc2c(c1)c(C(=O)Nc1ccc(S(C)(=O)=O)cc1)c(C)n2C1CCCC1 ZINC000078899733 556736343 /nfs/dbraw/zinc/73/63/43/556736343.db2.gz YAVJDKATNFEYKI-UHFFFAOYSA-N 0 0 426.538 4.729 50 0 IJAARN CS(=O)(=O)c1ccsc1C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000078796670 556736533 /nfs/dbraw/zinc/73/65/33/556736533.db2.gz NUBMFRZVMDDJAK-UHFFFAOYSA-N 0 0 431.926 4.601 50 0 IJAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1ccccc1C(F)(F)F ZINC000055283216 556739865 /nfs/dbraw/zinc/73/98/65/556739865.db2.gz XPFCRCBEOHKODI-UHFFFAOYSA-N 0 0 432.490 4.857 50 0 IJAARN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000055554161 556742211 /nfs/dbraw/zinc/74/22/11/556742211.db2.gz GYWGECROPBIUIS-UHFFFAOYSA-N 0 0 442.604 4.541 50 0 IJAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000033048889 556745466 /nfs/dbraw/zinc/74/54/66/556745466.db2.gz DDVHWAXLBUNJEP-UHFFFAOYSA-N 0 0 449.869 4.697 50 0 IJAARN CC(C)n1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000072333418 556749896 /nfs/dbraw/zinc/74/98/96/556749896.db2.gz JPNNKBFQLAHQPC-UHFFFAOYSA-N 0 0 436.512 4.842 50 0 IJAARN Nc1nc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000072332323 556750594 /nfs/dbraw/zinc/75/05/94/556750594.db2.gz JTPDXVNECJISDQ-HXUWFJFHSA-N 0 0 443.894 4.560 50 0 IJAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@@H]1C1CCCCC1 ZINC000058014212 556753445 /nfs/dbraw/zinc/75/34/45/556753445.db2.gz YCOLRFGJPVFMJR-HXUWFJFHSA-N 0 0 439.021 4.700 50 0 IJAARN CCn1c(C(=O)N(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc2ccccc21 ZINC000058100952 556758266 /nfs/dbraw/zinc/75/82/66/556758266.db2.gz YEEHJJFWUWBAKA-UHFFFAOYSA-N 0 0 441.531 4.989 50 0 IJAARN CCCOC(=O)c1cc(Br)ccc1NC(=O)Cc1csc(-c2ccco2)n1 ZINC000058157370 556763047 /nfs/dbraw/zinc/76/30/47/556763047.db2.gz LIAONWKMDAWGQM-UHFFFAOYSA-N 0 0 449.326 4.914 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1cccc(Cl)c1)C(=O)OC2 ZINC000062001745 556764576 /nfs/dbraw/zinc/76/45/76/556764576.db2.gz KHYYHGPFSHOAOW-VGOFMYFVSA-N 0 0 443.927 4.618 50 0 biogenic IJAARN CN(C(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000058167022 556767168 /nfs/dbraw/zinc/76/71/68/556767168.db2.gz MBODTWJNDZNBPS-UHFFFAOYSA-N 0 0 430.435 4.968 50 0 IJAARN O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000058214875 556772216 /nfs/dbraw/zinc/77/22/16/556772216.db2.gz ZKJACJWDDGDNOV-UHFFFAOYSA-N 0 0 427.975 4.730 50 0 IJAARN COC(=O)c1cccn1C1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 ZINC000058310378 556779780 /nfs/dbraw/zinc/77/97/80/556779780.db2.gz ZETVJQDNUYWCEX-UHFFFAOYSA-N 0 0 448.588 4.961 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3nc4cc(C)ccc4[nH]3)c(=O)oc2c1 ZINC000058402680 556785377 /nfs/dbraw/zinc/78/53/77/556785377.db2.gz ZDTMSIHRXCWDPM-JOCHJYFZSA-N 0 0 445.519 4.591 50 0 IJAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000058441264 556789200 /nfs/dbraw/zinc/78/92/00/556789200.db2.gz XVFLWCMZDXGGQK-GOTSBHOMSA-N 0 0 428.504 4.597 50 0 IJAARN CCN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1cccc2ccccc21 ZINC000058692369 556791228 /nfs/dbraw/zinc/79/12/28/556791228.db2.gz JZLQHGJJUSRKME-UHFFFAOYSA-N 0 0 446.366 4.570 50 0 IJAARN O=C(Nc1ccccc1C(=O)NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000058983457 556793830 /nfs/dbraw/zinc/79/38/30/556793830.db2.gz OKZOEEHCPRZSEW-UHFFFAOYSA-N 0 0 428.410 4.810 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000001508336 556797617 /nfs/dbraw/zinc/79/76/17/556797617.db2.gz RBASCXWZXHCOJJ-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000001820064 556798404 /nfs/dbraw/zinc/79/84/04/556798404.db2.gz NTEIGKYXAFUXTH-PGMHBOJBSA-N 0 0 433.577 4.842 50 0 IJAARN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401225 556800056 /nfs/dbraw/zinc/80/00/56/556800056.db2.gz CKGQXHUMUFHAOR-YKSBVNFPSA-N 0 0 443.547 4.838 50 0 IJAARN CC(C)(C)NC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002633877 556801276 /nfs/dbraw/zinc/80/12/76/556801276.db2.gz NDFWBCUDVOGGPQ-UHFFFAOYSA-N 0 0 441.325 4.736 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(C(=O)O[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000002653624 556802447 /nfs/dbraw/zinc/80/24/47/556802447.db2.gz CYWUBSSKDKKQHP-OAQYLSRUSA-N 0 0 429.925 4.537 50 0 IJAARN COc1ccc(CNC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000003220155 556805480 /nfs/dbraw/zinc/80/54/80/556805480.db2.gz GLGSNKDOCZDCFC-UHFFFAOYSA-N 0 0 448.544 4.548 50 0 IJAARN Cc1cc(=O)c(C(=O)N(C)c2cccc3ccccc32)nn1-c1ccccc1C(F)(F)F ZINC000060017679 556805727 /nfs/dbraw/zinc/80/57/27/556805727.db2.gz CZJTWPLEERBLQJ-UHFFFAOYSA-N 0 0 437.421 4.990 50 0 IJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000003238842 556806551 /nfs/dbraw/zinc/80/65/51/556806551.db2.gz KJVDPAHCFCIPEN-UHFFFAOYSA-N 0 0 432.476 4.757 50 0 IJAARN O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccc(OC(F)F)cc1 ZINC000003282076 556808132 /nfs/dbraw/zinc/80/81/32/556808132.db2.gz NYIOXNUZWNRCSA-UHFFFAOYSA-N 0 0 427.403 4.663 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000003282475 556808479 /nfs/dbraw/zinc/80/84/79/556808479.db2.gz UUAGOWLGGDSBOW-NYYWCZLTSA-N 0 0 428.897 4.667 50 0 IJAARN COc1cc(OC)cc(C(=O)OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 ZINC000003300904 556811239 /nfs/dbraw/zinc/81/12/39/556811239.db2.gz RPOFCMMDOYNGCG-UHFFFAOYSA-N 0 0 440.521 4.548 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)c2cccc(F)c2[nH]1 ZINC000033067719 556819492 /nfs/dbraw/zinc/81/94/92/556819492.db2.gz BKEBFKILWQIRIA-UHFFFAOYSA-N 0 0 444.919 4.803 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067914 556820270 /nfs/dbraw/zinc/82/02/70/556820270.db2.gz FNJOUXRTHIKYBA-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000033068072 556820305 /nfs/dbraw/zinc/82/03/05/556820305.db2.gz NXNOSCFWCUCZDY-UHFFFAOYSA-N 0 0 443.503 4.541 50 0 IJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc(=O)n2c1 ZINC000033068174 556820846 /nfs/dbraw/zinc/82/08/46/556820846.db2.gz JWXWZXKPLLXFGS-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000064450470 556823954 /nfs/dbraw/zinc/82/39/54/556823954.db2.gz AOEFRZACFVXGRT-UHFFFAOYSA-N 0 0 425.535 4.560 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000014698207 556825454 /nfs/dbraw/zinc/82/54/54/556825454.db2.gz CQQGHSSCBUTNSB-UHFFFAOYSA-N 0 0 434.970 4.883 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1C1CCCCC1 ZINC000064661920 556825776 /nfs/dbraw/zinc/82/57/76/556825776.db2.gz VAOSULDFXSTTHC-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F ZINC000064662004 556825961 /nfs/dbraw/zinc/82/59/61/556825961.db2.gz YUMBWVMZHLSEEX-VWLOTQADSA-N 0 0 447.535 4.573 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000033068761 556829484 /nfs/dbraw/zinc/82/94/84/556829484.db2.gz SHUYKLKPTDCTAB-UHFFFAOYSA-N 0 0 443.528 4.738 50 0 IJAARN CC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccc(F)cc5)CC4)c3c2)CC1 ZINC000065002221 556830655 /nfs/dbraw/zinc/83/06/55/556830655.db2.gz RRINCYYWAHWATH-UHFFFAOYSA-N 0 0 432.543 4.573 50 0 IJAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)c(NC3CCCC3)n2c1C ZINC000065318774 556833599 /nfs/dbraw/zinc/83/35/99/556833599.db2.gz UMYNUZZYJGXGSE-UHFFFAOYSA-N 0 0 429.542 4.920 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000334161919 556837230 /nfs/dbraw/zinc/83/72/30/556837230.db2.gz HAYPALIOWSOEHG-FQEVSTJZSA-N 0 0 438.531 4.812 50 0 IJAARN CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC ZINC000019641564 556837461 /nfs/dbraw/zinc/83/74/61/556837461.db2.gz SBBYEEOEOJYHRF-UHFFFAOYSA-N 0 0 444.582 4.551 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccn2-c2ncccn2)c1 ZINC000019641762 556837756 /nfs/dbraw/zinc/83/77/56/556837756.db2.gz VBKJHHYTRPAJDV-SANMLTNESA-N 0 0 435.531 4.905 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)cc1 ZINC000019646512 556840446 /nfs/dbraw/zinc/84/04/46/556840446.db2.gz YAJYPWFLDBNJMO-CKJXQJPGSA-N 0 0 447.626 4.607 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(N2CCCCC2)c2nonc21 ZINC000019646215 556840534 /nfs/dbraw/zinc/84/05/34/556840534.db2.gz SYKJOGQVQLFJDG-UHFFFAOYSA-N 0 0 447.543 4.627 50 0 IJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Cc4ccc(F)cc4)cc3)nn2)c(C)c1C ZINC000067604031 556843672 /nfs/dbraw/zinc/84/36/72/556843672.db2.gz FXGDPIKSGDQTTR-UHFFFAOYSA-N 0 0 430.487 4.651 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000023011666 556848216 /nfs/dbraw/zinc/84/82/16/556848216.db2.gz OMOOXUDOBJNUGT-UHFFFAOYSA-N 0 0 428.492 4.705 50 0 IJAARN COc1cccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)c1 ZINC000068713033 556849256 /nfs/dbraw/zinc/84/92/56/556849256.db2.gz AARKGALSERYCIW-RUZDIDTESA-N 0 0 435.907 4.664 50 0 IJAARN O=C(Nc1ccc(SCCS(=O)(=O)Cc2ccccc2)cc1)c1ccc(F)cc1 ZINC000526052407 556849987 /nfs/dbraw/zinc/84/99/87/556849987.db2.gz JGROMBNNORJGFX-UHFFFAOYSA-N 0 0 429.538 4.785 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000097954818 556850693 /nfs/dbraw/zinc/85/06/93/556850693.db2.gz KGRDTHKAUXVLSN-SDHSZQHLSA-N 0 0 442.515 4.917 50 0 IJAARN COc1cc(NC(=O)c2cc3sc4ccccc4c3s2)ccc1NS(C)(=O)=O ZINC000033069752 556851062 /nfs/dbraw/zinc/85/10/62/556851062.db2.gz JSXWBNTVHLICNE-UHFFFAOYSA-N 0 0 432.548 4.748 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CCCc3nc4cccnc4n3CCC(C)C)CC2)c1C ZINC000033072353 556852221 /nfs/dbraw/zinc/85/22/21/556852221.db2.gz WAGFJIAMIHWRSU-UHFFFAOYSA-N 0 0 447.627 4.766 50 0 IJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCCCc1ccccc1 ZINC000033072788 556852561 /nfs/dbraw/zinc/85/25/61/556852561.db2.gz PZVUIBDSXMXAMC-UHFFFAOYSA-N 0 0 430.527 4.690 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1OCC ZINC000033073181 556852580 /nfs/dbraw/zinc/85/25/80/556852580.db2.gz ISYVOHQFEVSNGX-UHFFFAOYSA-N 0 0 447.579 4.995 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000033077538 556854551 /nfs/dbraw/zinc/85/45/51/556854551.db2.gz ABQMEFLFWYXZNQ-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN Cc1ccc(F)cc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033088404 556856408 /nfs/dbraw/zinc/85/64/08/556856408.db2.gz ONECPCUKABNUDA-UHFFFAOYSA-N 0 0 433.340 4.649 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089244 556857875 /nfs/dbraw/zinc/85/78/75/556857875.db2.gz QPMVKIHVQFFSTQ-LSDHHAIUSA-N 0 0 439.353 4.632 50 0 IJAARN CCOc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089213 556857881 /nfs/dbraw/zinc/85/78/81/556857881.db2.gz NBBFZFISLGUQHN-GFCCVEGCSA-N 0 0 427.298 4.532 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088613 556858075 /nfs/dbraw/zinc/85/80/75/556858075.db2.gz WVYXZWAIRDZBOL-UHFFFAOYSA-N 0 0 441.797 4.916 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)Nc3ccc(C)cc3)c2sc1NC(C)=O ZINC000033113630 556860359 /nfs/dbraw/zinc/86/03/59/556860359.db2.gz DHVOJWYYKKAUPC-UHFFFAOYSA-N 0 0 440.521 4.671 50 0 IJAARN C[C@@H](C(=O)NCc1ccc(F)cc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113947 556860748 /nfs/dbraw/zinc/86/07/48/556860748.db2.gz INMZSKVJVDKVNV-OAHLLOKOSA-N 0 0 441.934 4.765 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114446 556861187 /nfs/dbraw/zinc/86/11/87/556861187.db2.gz CHJZGKXFHNUSEM-UHFFFAOYSA-N 0 0 446.576 4.851 50 0 IJAARN O=S(=O)(Nc1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)c1ccccc1 ZINC000033122810 556863527 /nfs/dbraw/zinc/86/35/27/556863527.db2.gz NIZWOKYWYYBKJM-UHFFFAOYSA-N 0 0 446.282 4.560 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130045 556868470 /nfs/dbraw/zinc/86/84/70/556868470.db2.gz YNLKMWAFPXHKHG-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000033130479 556870429 /nfs/dbraw/zinc/87/04/29/556870429.db2.gz JUWPQYKPWLDVQD-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN CCCCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 ZINC000019732824 556876947 /nfs/dbraw/zinc/87/69/47/556876947.db2.gz HLRPVKSUOVKBDZ-UHFFFAOYSA-N 0 0 439.991 4.729 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(Cl)c1 ZINC000033141899 556877177 /nfs/dbraw/zinc/87/71/77/556877177.db2.gz LQBUKWKFPRXFEA-UHFFFAOYSA-N 0 0 433.895 4.537 50 0 IJAARN CCOc1ccccc1CNC(=O)C1CCN(c2nccnc2Oc2ccc(C)cc2)CC1 ZINC000033141940 556877425 /nfs/dbraw/zinc/87/74/25/556877425.db2.gz BUOGECMRUZOCBB-UHFFFAOYSA-N 0 0 446.551 4.509 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000033142090 556877810 /nfs/dbraw/zinc/87/78/10/556877810.db2.gz OFPTYTMTSADSIL-UHFFFAOYSA-N 0 0 439.972 4.840 50 0 IJAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)NC3CCCCCC3)cc2)c1NC(=O)C1CC1 ZINC000033171075 556881996 /nfs/dbraw/zinc/88/19/96/556881996.db2.gz ZFGFAJFUPHOFAW-GDNBJRDFSA-N 0 0 443.569 4.503 50 0 IJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1ccccc1Br ZINC000033172665 556883115 /nfs/dbraw/zinc/88/31/15/556883115.db2.gz NXCNTTMFXGHVSJ-UHFFFAOYSA-N 0 0 431.290 4.744 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)cc1Cl ZINC000033174131 556884286 /nfs/dbraw/zinc/88/42/86/556884286.db2.gz DBQXHQBACJLBEJ-CYBMUJFWSA-N 0 0 431.945 4.822 50 0 IJAARN COc1cccc(NC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)c1 ZINC000033170152 556885457 /nfs/dbraw/zinc/88/54/57/556885457.db2.gz GXAPSWSWHNZVGL-UHFFFAOYSA-N 0 0 448.592 4.675 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000033170574 556886159 /nfs/dbraw/zinc/88/61/59/556886159.db2.gz LCYGWLKMQAXJDL-LUAWRHEFSA-N 0 0 439.537 4.838 50 0 IJAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)c(Br)c1 ZINC000033250490 556891501 /nfs/dbraw/zinc/89/15/01/556891501.db2.gz DQUWRSRKOYZTDM-UHFFFAOYSA-N 0 0 446.370 4.834 50 0 IJAARN COc1ccc(CCNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000033252422 556892954 /nfs/dbraw/zinc/89/29/54/556892954.db2.gz JPRVDVXMXHNBBG-UHFFFAOYSA-N 0 0 447.466 4.532 50 0 biogenic IJAARN CCc1ccccc1NC(=O)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258267 556895915 /nfs/dbraw/zinc/89/59/15/556895915.db2.gz VWZSSBPSPFXUGT-UHFFFAOYSA-N 0 0 431.540 4.921 50 0 IJAARN COc1cccc(-c2ccc(SCc3nc(-c4ccc(OC)c(OC)c4)no3)nn2)c1 ZINC000033262479 556900648 /nfs/dbraw/zinc/90/06/48/556900648.db2.gz APUJUJFZZWIUNZ-UHFFFAOYSA-N 0 0 436.493 4.512 50 0 IJAARN COc1ccc(NC(=O)CSCc2ccc(-c3nc(-c4cccs4)no3)o2)cc1 ZINC000033262373 556902062 /nfs/dbraw/zinc/90/20/62/556902062.db2.gz KTPQKGLULBDZMY-UHFFFAOYSA-N 0 0 427.507 4.939 50 0 IJAARN COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1)c1ccc(C)cc1C ZINC000019799046 556916822 /nfs/dbraw/zinc/91/68/22/556916822.db2.gz LHQKHRFCDHODJW-OWAUWMPXSA-N 0 0 432.564 4.907 50 0 IJAARN COc1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3ccccc3OC)no2)c(Cl)c1 ZINC000019810004 556918897 /nfs/dbraw/zinc/91/88/97/556918897.db2.gz PWNTZVCKEVPZLL-FQEVSTJZSA-N 0 0 442.899 4.902 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccco2)cc1 ZINC000019824379 556925396 /nfs/dbraw/zinc/92/53/96/556925396.db2.gz FIXVFRJKMASHFJ-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccco2)cc1 ZINC000019824524 556925630 /nfs/dbraw/zinc/92/56/30/556925630.db2.gz GJNINNFMGFOXTP-UHFFFAOYSA-N 0 0 434.521 4.965 50 0 IJAARN COc1ccccc1NC(=O)NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000019834504 556927626 /nfs/dbraw/zinc/92/76/26/556927626.db2.gz RMKBSDVFYFBMJG-UHFFFAOYSA-N 0 0 428.842 4.553 50 0 IJAARN COc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019842708 556929900 /nfs/dbraw/zinc/92/99/00/556929900.db2.gz FQIOWRIQSBSOED-UHFFFAOYSA-N 0 0 432.589 4.787 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019880252 556936823 /nfs/dbraw/zinc/93/68/23/556936823.db2.gz OOUHZBUAVKCDGA-UHFFFAOYSA-N 0 0 449.392 4.925 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1 ZINC000019889371 556938534 /nfs/dbraw/zinc/93/85/34/556938534.db2.gz KFXUQWBKCAISPK-UHFFFAOYSA-N 0 0 444.560 4.794 50 0 IJAARN Cc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc(Cl)c1 ZINC000019898605 556941195 /nfs/dbraw/zinc/94/11/95/556941195.db2.gz JGUWZADSVGQUBW-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN CCCN1C(=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000019939154 556952991 /nfs/dbraw/zinc/95/29/91/556952991.db2.gz ZUFQPUIJEJERAL-QHCPKHFHSA-N 0 0 445.485 4.672 50 0 IJAARN O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)Nc1ccccc1F ZINC000033265129 556975036 /nfs/dbraw/zinc/97/50/36/556975036.db2.gz MNVQKCNJLPBYIY-UHFFFAOYSA-N 0 0 446.507 4.995 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000004728644 556976192 /nfs/dbraw/zinc/97/61/92/556976192.db2.gz DEDCMUIHONVYEA-VGOFRKELSA-N 0 0 426.557 4.734 50 0 IJAARN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3cc(Cl)c4c(c3)OCCCO4)nc2c1 ZINC000096809606 556977157 /nfs/dbraw/zinc/97/71/57/556977157.db2.gz DLPPHDASCXGWQI-OVCLIPMQSA-N 0 0 447.274 4.674 50 0 IJAARN C[C@H](NC(=O)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1)c1ccc(F)cc1 ZINC000033266623 556977790 /nfs/dbraw/zinc/97/77/90/556977790.db2.gz KZOWLKNUCWJMKS-SFHVURJKSA-N 0 0 443.526 4.629 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1Cl ZINC000020103555 556981107 /nfs/dbraw/zinc/98/11/07/556981107.db2.gz YNADBAOJFUDMRQ-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN Fc1ccc([C@H](c2nnc(-c3ccccc3Cl)o2)N2CCN(c3ccccn3)CC2)cc1 ZINC000033268284 556983818 /nfs/dbraw/zinc/98/38/18/556983818.db2.gz HUEKIQIGQJGRCR-JOCHJYFZSA-N 0 0 449.917 4.836 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)c1ccccc1 ZINC000023054919 556988696 /nfs/dbraw/zinc/98/86/96/556988696.db2.gz XSORBIGTYAJHBR-NXEWRWPSSA-N 0 0 427.639 4.628 50 0 IJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000097111948 556990333 /nfs/dbraw/zinc/99/03/33/556990333.db2.gz DMJPQJGRGLCARH-CQSZACIVSA-N 0 0 428.334 4.625 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cccc(C)c2C)CC1 ZINC000020191272 556996224 /nfs/dbraw/zinc/99/62/24/556996224.db2.gz SGIQFJAAXBXPAM-UHFFFAOYSA-N 0 0 426.568 4.606 50 0 IJAARN NC(=O)CN(C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1 ZINC000011246285 556999021 /nfs/dbraw/zinc/99/90/21/556999021.db2.gz YXCPKRPKEAQGHA-UHFFFAOYSA-N 0 0 430.529 4.998 50 0 IJAARN COc1cc(OC)cc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020228102 557001027 /nfs/dbraw/zinc/00/10/27/557001027.db2.gz IPUBAOACRGWQJC-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000020309952 557007233 /nfs/dbraw/zinc/00/72/33/557007233.db2.gz JAOUVGFCJQWSLE-YVLHZVERSA-N 0 0 431.311 4.644 50 0 IJAARN Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 ZINC000020345396 557008710 /nfs/dbraw/zinc/00/87/10/557008710.db2.gz KJWNPQKVSONNOC-UHFFFAOYSA-N 0 0 437.590 4.864 50 0 IJAARN CCC(=O)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347270 557009079 /nfs/dbraw/zinc/00/90/79/557009079.db2.gz JHRMCZGIQUVNPJ-UHFFFAOYSA-N 0 0 427.548 4.583 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000023127024 557011570 /nfs/dbraw/zinc/01/15/70/557011570.db2.gz ZKVMWOFAMUKCJV-UHFFFAOYSA-N 0 0 435.574 4.955 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000023127039 557011703 /nfs/dbraw/zinc/01/17/03/557011703.db2.gz SSHZZEFYESOFAM-UHFFFAOYSA-N 0 0 449.557 4.595 50 0 IJAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000098003352 557012528 /nfs/dbraw/zinc/01/25/28/557012528.db2.gz MWJBMMFQAVPQOC-XFXZXTDPSA-N 0 0 444.487 4.862 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(Cl)cc5)nn4ccn23)c1 ZINC000045971423 557014209 /nfs/dbraw/zinc/01/42/09/557014209.db2.gz FPUHVRYCFABMAU-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)NCCc3ccc(Cl)cc3)cc(-c3ccccc3)c12 ZINC000045991929 557017612 /nfs/dbraw/zinc/01/76/12/557017612.db2.gz OVSZOCNRWGQHRY-KRWDZBQOSA-N 0 0 448.954 4.723 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)NCc1cccc(OC)c1)cc2-c1ccccc1 ZINC000045992374 557018122 /nfs/dbraw/zinc/01/81/22/557018122.db2.gz UXQMPVXAUFXNTG-GOSISDBHSA-N 0 0 444.535 4.519 50 0 IJAARN O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000023138083 557018173 /nfs/dbraw/zinc/01/81/73/557018173.db2.gz ZNEWICNQPVFPML-UHFFFAOYSA-N 0 0 438.311 4.689 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000046012289 557018852 /nfs/dbraw/zinc/01/88/52/557018852.db2.gz RNOBPJRDFDJSIA-QGZVFWFLSA-N 0 0 429.476 4.668 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)cc1 ZINC000046017081 557020112 /nfs/dbraw/zinc/02/01/12/557020112.db2.gz KNOZVMMPBORMOR-HXUWFJFHSA-N 0 0 449.576 4.644 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)cc1 ZINC000046017159 557020482 /nfs/dbraw/zinc/02/04/82/557020482.db2.gz DZVUGXXUFLCKJO-FQEVSTJZSA-N 0 0 449.576 4.644 50 0 IJAARN Cc1ccc(-c2csc(N(C(=O)CSc3nc(N)n[nH]3)c3cccc(C)c3)n2)cc1 ZINC000010716038 557020619 /nfs/dbraw/zinc/02/06/19/557020619.db2.gz GQNMPJWNCDGKOR-UHFFFAOYSA-N 0 0 436.566 4.584 50 0 IJAARN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000001440669 557021063 /nfs/dbraw/zinc/02/10/63/557021063.db2.gz VKSBYJZHZDORDF-UHFFFAOYSA-N 0 0 434.517 4.579 50 0 IJAARN COc1ccccc1CNC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022220 557021909 /nfs/dbraw/zinc/02/19/09/557021909.db2.gz SGEPPIIMHACUFV-UHFFFAOYSA-N 0 0 427.595 4.668 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1OC ZINC000046022469 557022173 /nfs/dbraw/zinc/02/21/73/557022173.db2.gz NQRRITKRTBYEQF-UHFFFAOYSA-N 0 0 429.567 4.609 50 0 IJAARN COc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1Cl ZINC000046016781 557023270 /nfs/dbraw/zinc/02/32/70/557023270.db2.gz HNZGXNLNDGIHOF-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN CCOc1cc(C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc(OCC)c1OCC ZINC000010750186 557024427 /nfs/dbraw/zinc/02/44/27/557024427.db2.gz GHDVSZPSSWRHTA-UHFFFAOYSA-N 0 0 426.469 4.598 50 0 IJAARN Cc1sc2nc([C@@H](C)Sc3nnc(NCCc4ccccc4)s3)[nH]c(=O)c2c1C ZINC000010776755 557025638 /nfs/dbraw/zinc/02/56/38/557025638.db2.gz UMSDAGANPFYLHO-CYBMUJFWSA-N 0 0 443.623 4.961 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046056998 557028671 /nfs/dbraw/zinc/02/86/71/557028671.db2.gz IUNXDSBILJFPTP-GOSISDBHSA-N 0 0 438.325 4.869 50 0 IJAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc1C(=O)N2 ZINC000046077580 557033223 /nfs/dbraw/zinc/03/32/23/557033223.db2.gz HZBNVBLFSBTSDT-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1)N1CCc2ccccc21 ZINC000046079710 557034945 /nfs/dbraw/zinc/03/49/45/557034945.db2.gz RYTOSEHQLPFWPU-UHFFFAOYSA-N 0 0 429.495 4.861 50 0 IJAARN O=C(Nc1cccnc1Cl)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079691 557035082 /nfs/dbraw/zinc/03/50/82/557035082.db2.gz HSFKDYGGCPPTPC-UHFFFAOYSA-N 0 0 438.890 4.959 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4cccc(C)c4)C3=O)c2)c1 ZINC000046079912 557035335 /nfs/dbraw/zinc/03/53/35/557035335.db2.gz DZYROPVMOPFZJX-UHFFFAOYSA-N 0 0 443.547 4.766 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(OC)c(OC)c4)on3)sc2c1 ZINC000046086076 557035990 /nfs/dbraw/zinc/03/59/90/557035990.db2.gz MCPUXZLTWXPAJO-UHFFFAOYSA-N 0 0 425.466 4.620 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)c3cccs3)C2)s1 ZINC000046122755 557036282 /nfs/dbraw/zinc/03/62/82/557036282.db2.gz DHYPOQBBKVEOBK-GFCCVEGCSA-N 0 0 432.958 4.525 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1 ZINC000046123395 557037164 /nfs/dbraw/zinc/03/71/64/557037164.db2.gz PYWSHXCTORGHTE-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000017178206 557037892 /nfs/dbraw/zinc/03/78/92/557037892.db2.gz BDOQSJSGEFQVDC-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN CC1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccc(F)cc2)CC1 ZINC000017245823 557044388 /nfs/dbraw/zinc/04/43/88/557044388.db2.gz MMHHRLUTUOKPKU-UHFFFAOYSA-N 0 0 449.555 4.905 50 0 IJAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C)cc3OCc3ccccc3)CC2)c(C)o1 ZINC000048236054 557047241 /nfs/dbraw/zinc/04/72/41/557047241.db2.gz UNSVIMSGGONRQE-UHFFFAOYSA-N 0 0 447.535 4.774 50 0 IJAARN Cc1ccccc1-c1csc(SCc2noc(CCC(=O)Nc3nccs3)n2)n1 ZINC000033271072 557048792 /nfs/dbraw/zinc/04/87/92/557048792.db2.gz FVXOAVWGOMFJEV-UHFFFAOYSA-N 0 0 443.579 4.822 50 0 IJAARN O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1ccccc1C(F)(F)F ZINC000022928621 557048954 /nfs/dbraw/zinc/04/89/54/557048954.db2.gz DJICOEJRVSEWPP-UHFFFAOYSA-N 0 0 446.300 4.769 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(OC)cc3)sc2c1 ZINC000033271691 557049710 /nfs/dbraw/zinc/04/97/10/557049710.db2.gz YLOSPSOAUAHVSF-KRWDZBQOSA-N 0 0 434.521 4.672 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033272014 557050809 /nfs/dbraw/zinc/05/08/09/557050809.db2.gz UMSNBJHURVRATJ-UHFFFAOYSA-N 0 0 442.924 4.715 50 0 IJAARN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000004732866 557050878 /nfs/dbraw/zinc/05/08/78/557050878.db2.gz DQYKHPNHDSMFPE-UHFFFAOYSA-N 0 0 433.411 4.929 50 0 IJAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)N1CCc2ccccc21 ZINC000033275319 557053988 /nfs/dbraw/zinc/05/39/88/557053988.db2.gz IKIBVKSIWXWFPP-UHFFFAOYSA-N 0 0 425.492 4.619 50 0 IJAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 ZINC000022961678 557054844 /nfs/dbraw/zinc/05/48/44/557054844.db2.gz BCWYHJZYZQQCNH-UHFFFAOYSA-N 0 0 426.369 4.950 50 0 IJAARN CCOC(=O)[C@H](C)NC(=O)Nc1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 ZINC000033278608 557060495 /nfs/dbraw/zinc/06/04/95/557060495.db2.gz XYSDFMZMJFFFBT-AWEZNQCLSA-N 0 0 425.460 4.513 50 0 IJAARN COc1cc(Br)c(CC(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000017339451 557060999 /nfs/dbraw/zinc/06/09/99/557060999.db2.gz KBEYKOHFTVDVOR-UHFFFAOYSA-N 0 0 440.337 4.915 50 0 IJAARN COCc1nnc(NC(=O)/C=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)s1 ZINC000033280636 557062793 /nfs/dbraw/zinc/06/27/93/557062793.db2.gz XGYYNTBKHDHFQX-POHAHGRESA-N 0 0 445.928 4.577 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000023095842 557063194 /nfs/dbraw/zinc/06/31/94/557063194.db2.gz KSGZISPBXXSSJQ-UHFFFAOYSA-N 0 0 434.411 4.875 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4cccc(C)c4)cn32)cc1 ZINC000033284330 557063437 /nfs/dbraw/zinc/06/34/37/557063437.db2.gz GGDKXAJHAOFPRU-UHFFFAOYSA-N 0 0 445.548 4.583 50 0 IJAARN Cc1ccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cc1C ZINC000032949128 557063858 /nfs/dbraw/zinc/06/38/58/557063858.db2.gz XUNDDZIJOGYKGB-UHFFFAOYSA-N 0 0 446.503 4.736 50 0 IJAARN COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000033286224 557063906 /nfs/dbraw/zinc/06/39/06/557063906.db2.gz RTWOBXIMRXPFIN-YVLHZVERSA-N 0 0 433.327 4.872 50 0 IJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(I)cc1 ZINC000023124716 557065154 /nfs/dbraw/zinc/06/51/54/557065154.db2.gz 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CC(=O)Nc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)c(Cl)c4)C3)n2)cc1 ZINC000033289771 557071188 /nfs/dbraw/zinc/07/11/88/557071188.db2.gz LUVPULKETZLFMP-MRXNPFEDSA-N 0 0 442.878 4.507 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3cccc(Cl)c3)no2)c1C ZINC000033296826 557072865 /nfs/dbraw/zinc/07/28/65/557072865.db2.gz SAKFQSMCJMJCKL-UHFFFAOYSA-N 0 0 432.871 4.969 50 0 IJAARN CC(=O)N(c1nc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1)c1cccc(C)c1 ZINC000023200088 557072885 /nfs/dbraw/zinc/07/28/85/557072885.db2.gz HHFDOVGANPPWDA-UHFFFAOYSA-N 0 0 449.557 4.998 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)c(C)c1 ZINC000033297533 557073168 /nfs/dbraw/zinc/07/31/68/557073168.db2.gz WJYCGEWPHORNDV-UHFFFAOYSA-N 0 0 437.561 4.604 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)c1 ZINC000033297573 557073203 /nfs/dbraw/zinc/07/32/03/557073203.db2.gz JRCLERUSGRDHBH-UHFFFAOYSA-N 0 0 437.561 4.604 50 0 IJAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)Nc3cccc(C(=O)OC)c3)cc2)c1=O ZINC000033298520 557074663 /nfs/dbraw/zinc/07/46/63/557074663.db2.gz JZXBSQOIIAVYAW-UHFFFAOYSA-N 0 0 441.487 4.512 50 0 IJAARN CSc1ccc([C@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 ZINC000048362606 557074738 /nfs/dbraw/zinc/07/47/38/557074738.db2.gz NQGDELDEUIEYGK-KRWDZBQOSA-N 0 0 425.575 4.873 50 0 IJAARN COc1cc(-c2ccccc2)nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000033292678 557075973 /nfs/dbraw/zinc/07/59/73/557075973.db2.gz JZNZGYZXBIXCQN-UHFFFAOYSA-N 0 0 447.516 4.670 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)cc1 ZINC000014896020 557077789 /nfs/dbraw/zinc/07/77/89/557077789.db2.gz AUFDOLFMCKNXFM-UHFFFAOYSA-N 0 0 425.488 4.660 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3ccc(Br)cc3)C2)s1 ZINC000033299592 557078268 /nfs/dbraw/zinc/07/82/68/557078268.db2.gz MBRPYUPBYVOHDS-INIZCTEOSA-N 0 0 444.398 4.900 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccc(Br)cc3)C2)s1 ZINC000033299591 557078313 /nfs/dbraw/zinc/07/83/13/557078313.db2.gz MBRPYUPBYVOHDS-MRXNPFEDSA-N 0 0 444.398 4.900 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000048991049 557080433 /nfs/dbraw/zinc/08/04/33/557080433.db2.gz LTPQCYWCZNELNY-UHFFFAOYSA-N 0 0 448.541 4.672 50 0 IJAARN COc1ccccc1-c1csc(-c2nnn(-c3ccc(Br)cc3F)c2N)n1 ZINC000049001841 557081159 /nfs/dbraw/zinc/08/11/59/557081159.db2.gz UBYFFDYHEKONLP-UHFFFAOYSA-N 0 0 446.305 4.550 50 0 IJAARN O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 ZINC000011300349 557081239 /nfs/dbraw/zinc/08/12/39/557081239.db2.gz JLOHJEUMGYJXOU-UHFFFAOYSA-N 0 0 431.920 4.575 50 0 IJAARN COc1ccc(OCc2ncc(C(=O)N[C@H](C)c3ccccc3)c(-c3ccncc3)n2)cc1 ZINC000033300952 557082979 /nfs/dbraw/zinc/08/29/79/557082979.db2.gz QFKXFRIBCASCSE-GOSISDBHSA-N 0 0 440.503 4.617 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2C)nc(-c2ccc(F)cc2)n1 ZINC000049006950 557085725 /nfs/dbraw/zinc/08/57/25/557085725.db2.gz WIDBROOYISWBFZ-UHFFFAOYSA-N 0 0 430.277 4.680 50 0 IJAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000049006953 557085735 /nfs/dbraw/zinc/08/57/35/557085735.db2.gz SBIZJSZVOIEDOF-UHFFFAOYSA-N 0 0 430.277 4.680 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4ccc(C)o4)cc3)o2)cc1 ZINC000033308325 557088552 /nfs/dbraw/zinc/08/85/52/557088552.db2.gz GAIXDRRZFGVOLD-BUHFOSPRSA-N 0 0 431.448 4.878 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c(C)s2)cs1 ZINC000033308423 557088851 /nfs/dbraw/zinc/08/88/51/557088851.db2.gz OCBHBHJUKAHDTI-UHFFFAOYSA-N 0 0 432.514 4.986 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)c1 ZINC000033308666 557089807 /nfs/dbraw/zinc/08/98/07/557089807.db2.gz UZHWRRBYICNILY-HXUWFJFHSA-N 0 0 427.504 4.547 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000049002477 557090099 /nfs/dbraw/zinc/09/00/99/557090099.db2.gz BLLREVJMBROVPO-UHFFFAOYSA-N 0 0 446.482 4.686 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000023384825 557090328 /nfs/dbraw/zinc/09/03/28/557090328.db2.gz IHTYZLVBHRRQHU-HSZRJFAPSA-N 0 0 441.453 4.715 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1)N1CCCC1 ZINC000033311593 557095510 /nfs/dbraw/zinc/09/55/10/557095510.db2.gz MXUJLSKBJBWJQJ-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccccc4C)CC3)ncn2)cc1 ZINC000049401937 557097316 /nfs/dbraw/zinc/09/73/16/557097316.db2.gz CGIBNFSIWUFZNV-UHFFFAOYSA-N 0 0 430.552 4.673 50 0 IJAARN COc1ccc(C)cc1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000049403618 557099170 /nfs/dbraw/zinc/09/91/70/557099170.db2.gz GIMZSTFYBICPIG-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN Cc1nnc(-c2ccc(Br)cc2)n1-c1cccc(I)c1 ZINC000084847565 557099301 /nfs/dbraw/zinc/09/93/01/557099301.db2.gz UEZOSKQITTWWCH-UHFFFAOYSA-N 0 0 440.082 4.610 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1sc2ncnc(NCc3ccc4c(c3)OCO4)c2c1C ZINC000023619957 557101548 /nfs/dbraw/zinc/10/15/48/557101548.db2.gz WZGZOHCHXIPODQ-INIZCTEOSA-N 0 0 438.553 4.745 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nnc(-c2cccs2)o1 ZINC000017665756 557106538 /nfs/dbraw/zinc/10/65/38/557106538.db2.gz JQKUPMACKQVBCS-ZIAGYGMSSA-N 0 0 440.550 4.540 50 0 IJAARN Cc1nc(-c2noc(-c3cccc(F)c3)n2)cn1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000049420735 557107193 /nfs/dbraw/zinc/10/71/93/557107193.db2.gz GKUPAIORSKUNPJ-UHFFFAOYSA-N 0 0 425.851 4.648 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1cn(Cc2ccc(NC(=O)C3CCCCC3)cc2)cn1 ZINC000049422134 557108974 /nfs/dbraw/zinc/10/89/74/557108974.db2.gz VHUHRSAIGVSKIW-UHFFFAOYSA-N 0 0 438.478 4.981 50 0 IJAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccccc4C(F)(F)F)CC3)no2)c1 ZINC000033327685 557110696 /nfs/dbraw/zinc/11/06/96/557110696.db2.gz LGAXGLUPMCSVAO-UHFFFAOYSA-N 0 0 444.457 4.915 50 0 IJAARN COc1ccc(N2c3c(sc(=O)n3C)[C@H](c3ccc(OCC(C)C)cc3)CC2=O)cc1 ZINC000049544252 557110812 /nfs/dbraw/zinc/11/08/12/557110812.db2.gz UOQWKXZAXDVJHR-FQEVSTJZSA-N 0 0 438.549 4.691 50 0 IJAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000049563559 557113584 /nfs/dbraw/zinc/11/35/84/557113584.db2.gz NFMJRNWABMVDRU-SFHVURJKSA-N 0 0 431.569 4.707 50 0 IJAARN COc1cc(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4nc32)cc(OC)c1 ZINC000033330863 557114314 /nfs/dbraw/zinc/11/43/14/557114314.db2.gz YARHJWRUBXWDKY-UHFFFAOYSA-N 0 0 426.476 4.612 50 0 IJAARN Cc1cc(-c2csc(NC(=O)CCn3cncn3)n2)c(C)n1Cc1ccccc1Cl ZINC000023757843 557114621 /nfs/dbraw/zinc/11/46/21/557114621.db2.gz XJCBTGQOGZHRLL-UHFFFAOYSA-N 0 0 440.960 4.550 50 0 IJAARN O=C(NCCCc1nc2ccccc2s1)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000247449815 557114660 /nfs/dbraw/zinc/11/46/60/557114660.db2.gz ZLUOUMKUVOBBAS-FCEUIQTBSA-N 0 0 447.604 4.819 50 0 IJAARN O=C(NCCCn1ccc2ccccc21)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590053 557116487 /nfs/dbraw/zinc/11/64/87/557116487.db2.gz JGBBJSKRHNDVMT-UHFFFAOYSA-N 0 0 439.559 4.853 50 0 IJAARN CCOC(=O)c1c2cc(O[C@@H](C)C(=O)OC)c(Br)cc2oc1-c1ccccc1 ZINC000000623803 557121684 /nfs/dbraw/zinc/12/16/84/557121684.db2.gz ZHTISFPMDYKZOX-LBPRGKRZSA-N 0 0 447.281 4.979 50 0 IJAARN Cc1sc2[nH]c(CN(C)C[C@H]3COc4ccccc4O3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023955888 557127680 /nfs/dbraw/zinc/12/76/80/557127680.db2.gz LXTQZGWCNFJXDI-SFHVURJKSA-N 0 0 447.560 4.540 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc43)CC2)cc1F ZINC000023968768 557128680 /nfs/dbraw/zinc/12/86/80/557128680.db2.gz XCWKWGJIVKBEJF-UHFFFAOYSA-N 0 0 445.494 4.601 50 0 IJAARN OCCn1c2cc(Cl)ccc2nc1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000023983480 557129556 /nfs/dbraw/zinc/12/95/56/557129556.db2.gz KKACQJMYETZBLA-NRFANRHFSA-N 0 0 429.998 4.953 50 0 IJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000017960295 557130883 /nfs/dbraw/zinc/13/08/83/557130883.db2.gz RETRHEDFUNTOMQ-UHFFFAOYSA-N 0 0 449.605 4.558 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000024731290 557131535 /nfs/dbraw/zinc/13/15/35/557131535.db2.gz DVYCMEDOZLXFDQ-FQEVSTJZSA-N 0 0 428.517 4.922 50 0 IJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000024050864 557134491 /nfs/dbraw/zinc/13/44/91/557134491.db2.gz LGWFBBRXAVMGJE-UHFFFAOYSA-N 0 0 433.515 4.714 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000707417 557140234 /nfs/dbraw/zinc/14/02/34/557140234.db2.gz ZGBTVOSWFFUSNF-XMMPIXPASA-N 0 0 444.556 4.759 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011409153 557142546 /nfs/dbraw/zinc/14/25/46/557142546.db2.gz KJYHHONVSBCSLK-UHFFFAOYSA-N 0 0 430.335 4.930 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCC[C@H]3c4ccccc4NC3=O)c2oc1-c1ccccc1 ZINC000024393061 557146374 /nfs/dbraw/zinc/14/63/74/557146374.db2.gz HPJRDLWSESFKSS-IBGZPJMESA-N 0 0 438.483 4.624 50 0 IJAARN COc1cccc(CN(C(=O)CSC2=NCCS2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000024503936 557149105 /nfs/dbraw/zinc/14/91/05/557149105.db2.gz FPNIEFIKDIXBRI-UHFFFAOYSA-N 0 0 430.639 4.829 50 0 IJAARN Cc1ccc(-c2nc(NCc3ccccc3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000016400933 557151116 /nfs/dbraw/zinc/15/11/16/557151116.db2.gz IIJJPDVRUKEHJU-UHFFFAOYSA-N 0 0 438.940 4.756 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000011490126 557152842 /nfs/dbraw/zinc/15/28/42/557152842.db2.gz LDFOWVBFBKUBBQ-UHFFFAOYSA-N 0 0 435.549 4.597 50 0 IJAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccc3)cs2)[C@]1(O)C(F)(F)F ZINC000016957589 557159149 /nfs/dbraw/zinc/15/91/49/557159149.db2.gz WHSPSQBXFFKVHF-DYESRHJHSA-N 0 0 445.466 4.856 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043983688 557160648 /nfs/dbraw/zinc/16/06/48/557160648.db2.gz USMQGYUPSYFERW-UHFFFAOYSA-N 0 0 430.932 4.525 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)n1Cc1ccccc1 ZINC000024721573 557160701 /nfs/dbraw/zinc/16/07/01/557160701.db2.gz NOPRTAQFOQFUON-UHFFFAOYSA-N 0 0 430.504 4.541 50 0 IJAARN Cn1c(Br)c(Br)cc1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000024745673 557161262 /nfs/dbraw/zinc/16/12/62/557161262.db2.gz VTJBEABEYLFKRZ-UHFFFAOYSA-N 0 0 441.148 4.926 50 0 IJAARN COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 ZINC000024759392 557163863 /nfs/dbraw/zinc/16/38/63/557163863.db2.gz FGDNZTIPKIISGE-JTQLQIEISA-N 0 0 446.219 4.661 50 0 IJAARN O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000024760607 557164242 /nfs/dbraw/zinc/16/42/42/557164242.db2.gz LTFFAPZQTQBEAP-UHFFFAOYSA-N 0 0 435.955 4.818 50 0 IJAARN O=C(CCc1nc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000024762190 557164639 /nfs/dbraw/zinc/16/46/39/557164639.db2.gz REBRWWCYJQBRGI-UHFFFAOYSA-N 0 0 425.532 4.694 50 0 IJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N(C)CCOc1ccccc1Cl ZINC000024762719 557164648 /nfs/dbraw/zinc/16/46/48/557164648.db2.gz VVHZZGGEXMBZGL-UHFFFAOYSA-N 0 0 440.956 4.984 50 0 IJAARN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000206879580 557165392 /nfs/dbraw/zinc/16/53/92/557165392.db2.gz KTHUSOOOCQXYNM-HXUWFJFHSA-N 0 0 434.001 4.861 50 0 IJAARN O=C(Nc1cccc(F)c1)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)NC2CC2)c1 ZINC000000751329 557168285 /nfs/dbraw/zinc/16/82/85/557168285.db2.gz WLBKSEFIHNPNOI-UHFFFAOYSA-N 0 0 444.510 4.925 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000024830258 557170021 /nfs/dbraw/zinc/17/00/21/557170021.db2.gz UTEUWJANSDGRJA-NRFANRHFSA-N 0 0 433.533 4.669 50 0 IJAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024921025 557179048 /nfs/dbraw/zinc/17/90/48/557179048.db2.gz PECLZCQPLSYXPL-UHFFFAOYSA-N 0 0 448.523 4.562 50 0 IJAARN COc1ccccc1C1=N/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C(=O)O1 ZINC000024973344 557184357 /nfs/dbraw/zinc/18/43/57/557184357.db2.gz YWKCDWBWZKRYLG-NDENLUEZSA-N 0 0 447.516 4.798 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000024974640 557184598 /nfs/dbraw/zinc/18/45/98/557184598.db2.gz KKXPEMKFKWYIIZ-KRWDZBQOSA-N 0 0 448.013 4.637 50 0 IJAARN CCCNC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2 ZINC000100825073 557189141 /nfs/dbraw/zinc/18/91/41/557189141.db2.gz APLIKJBYXVHGFN-DOMQTXCISA-N 0 0 444.531 4.802 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000025013014 557189309 /nfs/dbraw/zinc/18/93/09/557189309.db2.gz XSFPHJRBRIRGJD-UHFFFAOYSA-N 0 0 437.550 4.673 50 0 IJAARN OCCCc1nc2n(n1)[C@H](c1cccc(Br)c1)CC(c1ccc(Cl)cc1)=N2 ZINC000100869034 557193578 /nfs/dbraw/zinc/19/35/78/557193578.db2.gz BWGNMGOCYBOTSU-SFHVURJKSA-N 0 0 445.748 4.675 50 0 IJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1cc3ccccc3cc1OC)n2CCOC ZINC000100873248 557196150 /nfs/dbraw/zinc/19/61/50/557196150.db2.gz SOGQIPOQJPPAFL-IZHYLOQSSA-N 0 0 436.533 4.651 50 0 IJAARN O=C1[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)C(=O)N1Cc1ccccc1 ZINC000096316604 557198401 /nfs/dbraw/zinc/19/84/01/557198401.db2.gz FLZQMQNJFHDFPB-VSKRKVRLSA-N 0 0 436.870 4.526 50 0 IJAARN O=C(Oc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000000793042 557199963 /nfs/dbraw/zinc/19/99/63/557199963.db2.gz JSUUFWDELVWBDL-UHFFFAOYSA-N 0 0 428.337 4.777 50 0 IJAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Br)O[C@H](C)C2 ZINC000011571463 557202548 /nfs/dbraw/zinc/20/25/48/557202548.db2.gz ZWYHGKCANFYEKQ-LLVKDONJSA-N 0 0 440.721 4.842 50 0 IJAARN O=C(CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000096562011 557203136 /nfs/dbraw/zinc/20/31/36/557203136.db2.gz BRBZNNOVJYXMOL-HNNXBMFYSA-N 0 0 443.739 4.651 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025325049 557204107 /nfs/dbraw/zinc/20/41/07/557204107.db2.gz WDCQCTMEKBRVHF-RBBKRZOGSA-N 0 0 441.531 4.561 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621123 557208640 /nfs/dbraw/zinc/20/86/40/557208640.db2.gz JTYPQWOQKMFWDO-QFIPXVFZSA-N 0 0 432.911 4.610 50 0 IJAARN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc(Br)cc1 ZINC000100988117 557210287 /nfs/dbraw/zinc/21/02/87/557210287.db2.gz LWWVUSKTWATPSI-HJWRWDBZSA-N 0 0 440.223 4.535 50 0 IJAARN Cc1nc(COc2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cc2)no1 ZINC000025469676 557211828 /nfs/dbraw/zinc/21/18/28/557211828.db2.gz BKLZUUJHACJISQ-UHFFFAOYSA-N 0 0 434.477 4.523 50 0 IJAARN Cc1sc2nc([C@H](C)OC(=O)CCc3ncc(-c4ccc(C)cc4)o3)[nH]c(=O)c2c1C ZINC000011645326 557219145 /nfs/dbraw/zinc/21/91/45/557219145.db2.gz AONYCPVYVSCERB-AWEZNQCLSA-N 0 0 437.521 4.802 50 0 IJAARN COc1ccc2cc(CN(C)C(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 ZINC000025680665 557221620 /nfs/dbraw/zinc/22/16/20/557221620.db2.gz CVIBCIJKSMXJOM-HSZRJFAPSA-N 0 0 438.955 4.915 50 0 IJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000025811675 557227413 /nfs/dbraw/zinc/22/74/13/557227413.db2.gz ZCWJEWAKZDACIA-QHCPKHFHSA-N 0 0 425.481 4.527 50 0 IJAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cc(Cl)ccc4Cl)c3)cn2n1 ZINC000011693451 557232519 /nfs/dbraw/zinc/23/25/19/557232519.db2.gz SCGOXBOAIVVQOM-UHFFFAOYSA-N 0 0 443.290 4.973 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1coc(-c2cccs2)n1 ZINC000026064958 557233177 /nfs/dbraw/zinc/23/31/77/557233177.db2.gz CIJQDOPQVVNSHJ-UHFFFAOYSA-N 0 0 432.914 4.515 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026090156 557233997 /nfs/dbraw/zinc/23/39/97/557233997.db2.gz AEEFVDJKYMVEMC-UHFFFAOYSA-N 0 0 435.574 4.588 50 0 IJAARN COc1cc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)cc(OC)c1OC ZINC000026093742 557234238 /nfs/dbraw/zinc/23/42/38/557234238.db2.gz YPLGVXWALTZVOI-UHFFFAOYSA-N 0 0 448.357 4.603 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1F ZINC000026090623 557234263 /nfs/dbraw/zinc/23/42/63/557234263.db2.gz VELFVWMHLGMOAX-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000098211482 557235168 /nfs/dbraw/zinc/23/51/68/557235168.db2.gz ZKMZZYPPCLNGAN-UHFFFAOYSA-N 0 0 444.491 4.915 50 0 IJAARN CC(=O)Nc1cccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2C2CC2)c1 ZINC000026143628 557236501 /nfs/dbraw/zinc/23/65/01/557236501.db2.gz YMXLLMOWDJJRPF-LBPRGKRZSA-N 0 0 426.546 4.637 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCc3cc(-c4ccccc4OC)no3)o2)c1 ZINC000026237597 557237685 /nfs/dbraw/zinc/23/76/85/557237685.db2.gz YUINHDDVEIPCDI-UHFFFAOYSA-N 0 0 425.466 4.710 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1C ZINC000032950635 557237742 /nfs/dbraw/zinc/23/77/42/557237742.db2.gz IGPYFERAHJQLNA-UHFFFAOYSA-N 0 0 440.613 4.581 50 0 IJAARN CC(=O)c1sc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)nc1-c1ccccc1 ZINC000018119231 557238318 /nfs/dbraw/zinc/23/83/18/557238318.db2.gz PGCDLIHUBXFXKA-UHFFFAOYSA-N 0 0 439.562 4.565 50 0 IJAARN COC(=O)c1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)c1 ZINC000032950990 557238992 /nfs/dbraw/zinc/23/89/92/557238992.db2.gz TUIVEOKTXBMLBU-UHFFFAOYSA-N 0 0 428.492 4.620 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1c(-c2ccccc2)nc2sccn21 ZINC000026394902 557240423 /nfs/dbraw/zinc/24/04/23/557240423.db2.gz DBXKFJTZSIZFID-UHFFFAOYSA-N 0 0 434.546 4.530 50 0 IJAARN Cc1cc2occ(CC(=O)NCc3nnc4ccc(C(F)(F)F)cn43)c2cc1C(C)C ZINC000026877749 557250174 /nfs/dbraw/zinc/25/01/74/557250174.db2.gz UTXCUAHQCPEPPU-UHFFFAOYSA-N 0 0 430.430 4.785 50 0 IJAARN COc1cccc(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)c1 ZINC000005688251 557251443 /nfs/dbraw/zinc/25/14/43/557251443.db2.gz CDFGLMNBLHSDCT-DEOSSOPVSA-N 0 0 427.548 4.733 50 0 IJAARN COc1ccc(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000005688253 557251562 /nfs/dbraw/zinc/25/15/62/557251562.db2.gz YYKWEZWEXSUPNJ-XMMPIXPASA-N 0 0 427.548 4.733 50 0 IJAARN O=C(N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000390829319 557253341 /nfs/dbraw/zinc/25/33/41/557253341.db2.gz DNLNJPPYAYZZJF-OAQYLSRUSA-N 0 0 449.975 4.679 50 0 IJAARN O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1cc(F)c(Br)cc1F ZINC000100234985 557253914 /nfs/dbraw/zinc/25/39/14/557253914.db2.gz DWZHXLZNELDFEI-CQSZACIVSA-N 0 0 432.673 4.805 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 ZINC000027153618 557258209 /nfs/dbraw/zinc/25/82/09/557258209.db2.gz SPVCOIOXPSRANH-UHFFFAOYSA-N 0 0 426.900 4.600 50 0 IJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000023322391 557261999 /nfs/dbraw/zinc/26/19/99/557261999.db2.gz LQJQICYIGIIIPH-UHFFFAOYSA-N 0 0 432.948 4.913 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000012843158 557262382 /nfs/dbraw/zinc/26/23/82/557262382.db2.gz LOXSDZDZMSKXAE-UHFFFAOYSA-N 0 0 447.554 4.782 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Cl ZINC000012843252 557262429 /nfs/dbraw/zinc/26/24/29/557262429.db2.gz RKPATFUGRUHKFP-UHFFFAOYSA-N 0 0 427.917 4.774 50 0 IJAARN Cc1cc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000027663518 557269771 /nfs/dbraw/zinc/26/97/71/557269771.db2.gz RFGBGLVHEIKVRL-HNNXBMFYSA-N 0 0 444.355 4.579 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000829911 557272376 /nfs/dbraw/zinc/27/23/76/557272376.db2.gz JLYOGSMUBRJDCT-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN Cc1cc(C)cc(COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000013041836 557274113 /nfs/dbraw/zinc/27/41/13/557274113.db2.gz AMRLHPDBVPFNGX-FMIVXFBMSA-N 0 0 427.566 4.625 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951114 557279683 /nfs/dbraw/zinc/27/96/83/557279683.db2.gz JTORNGPWERPYQQ-SFHVURJKSA-N 0 0 427.570 4.790 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@H]1c1ccc(Cl)cc1 ZINC000101402848 557280362 /nfs/dbraw/zinc/28/03/62/557280362.db2.gz CEFGRJLAYILLHB-FQEVSTJZSA-N 0 0 447.988 4.640 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N(C)C2CCCCC2)cc1C ZINC000014017339 557282962 /nfs/dbraw/zinc/28/29/62/557282962.db2.gz HFMYBJSFBFWQBY-UHFFFAOYSA-N 0 0 435.593 4.886 50 0 IJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccoc1C(=O)OC ZINC000024968161 557289558 /nfs/dbraw/zinc/28/95/58/557289558.db2.gz UPMQPKHTURNXRZ-UHFFFAOYSA-N 0 0 446.579 4.872 50 0 IJAARN O=C(CCCc1ccccc1)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1 ZINC000014056449 557293170 /nfs/dbraw/zinc/29/31/70/557293170.db2.gz WRRKMAWGINDVLQ-UHFFFAOYSA-N 0 0 434.503 4.815 50 0 IJAARN COc1ccc(Cl)cc1NCc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747810 557296735 /nfs/dbraw/zinc/29/67/35/557296735.db2.gz XCYFGITUDNHEML-UHFFFAOYSA-N 0 0 437.931 4.656 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828650 557300186 /nfs/dbraw/zinc/30/01/86/557300186.db2.gz SFCYBBOVLQHEMX-UHFFFAOYSA-N 0 0 446.869 4.541 50 0 IJAARN CCOC(=O)CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023324584 557300586 /nfs/dbraw/zinc/30/05/86/557300586.db2.gz HJDSSXDUHXJJIA-UHFFFAOYSA-N 0 0 432.307 4.734 50 0 IJAARN COc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)c1 ZINC000101835576 557302161 /nfs/dbraw/zinc/30/21/61/557302161.db2.gz VHHUGKCIXSVLGJ-QHCPKHFHSA-N 0 0 437.503 4.903 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000101880514 557304538 /nfs/dbraw/zinc/30/45/38/557304538.db2.gz YPEBVPSBNRKNRQ-UHFFFAOYSA-N 0 0 442.519 4.593 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c1 ZINC000101881008 557305124 /nfs/dbraw/zinc/30/51/24/557305124.db2.gz PQGCGHBREZBWQW-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)cc1 ZINC000101880910 557305179 /nfs/dbraw/zinc/30/51/79/557305179.db2.gz JWNUWNDYHBHKEQ-UHFFFAOYSA-N 0 0 432.911 4.794 50 0 IJAARN COc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000101881527 557305353 /nfs/dbraw/zinc/30/53/53/557305353.db2.gz WTOYVHDPVJBEEI-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N2C(CC(=O)N3CCCC3)=CSC2=N1 ZINC000102257959 557316705 /nfs/dbraw/zinc/31/67/05/557316705.db2.gz SHFNEUXQFVRNBW-OAQYLSRUSA-N 0 0 439.581 4.616 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2-c2ccccc2)cc1OCC ZINC000032966658 557319452 /nfs/dbraw/zinc/31/94/52/557319452.db2.gz ATMKOMVOUGKSTM-UHFFFAOYSA-N 0 0 432.520 4.862 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](c2cccs2)c2ccccc2)c(OC)c1 ZINC000102476780 557325058 /nfs/dbraw/zinc/32/50/58/557325058.db2.gz OBOLPEWJMJSTOW-SQJMNOBHSA-N 0 0 436.577 4.808 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4C)n32)C1 ZINC000102445543 557325831 /nfs/dbraw/zinc/32/58/31/557325831.db2.gz AYKWDQACQAIBHQ-MRXNPFEDSA-N 0 0 449.942 4.686 50 0 IJAARN CCCCOc1ccc(/C=c2\sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1 ZINC000033161989 557327875 /nfs/dbraw/zinc/32/78/75/557327875.db2.gz CEAUOSPCLJQEQM-ZHZULCJRSA-N 0 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Cc1cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(C)cc3)CC2)n(C(C)(C)C)n1 ZINC000023330450 557340871 /nfs/dbraw/zinc/34/08/71/557340871.db2.gz GOPADPVDKZGBFA-RUZDIDTESA-N 0 0 430.596 4.802 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000102530269 557342226 /nfs/dbraw/zinc/34/22/26/557342226.db2.gz BKMPXNLTMWHABU-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(F)ccc2F)cc1 ZINC000023446703 557359180 /nfs/dbraw/zinc/35/91/80/557359180.db2.gz CPFUFXFGNQSWBR-XMMPIXPASA-N 0 0 439.458 4.779 50 0 IJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCCCc4ccccc4)c3)n2)o1 ZINC000023448003 557359549 /nfs/dbraw/zinc/35/95/49/557359549.db2.gz WOJFYIKGIUTWEH-UHFFFAOYSA-N 0 0 429.524 4.717 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000023458315 557359786 /nfs/dbraw/zinc/35/97/86/557359786.db2.gz LQKNHOBWIYIYHA-UHFFFAOYSA-N 0 0 437.496 4.597 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023458678 557359826 /nfs/dbraw/zinc/35/98/26/557359826.db2.gz JPLDOHMBXQBINM-UHFFFAOYSA-N 0 0 426.495 4.788 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NCc3ccccc3)cc2)n1 ZINC000023459708 557360157 /nfs/dbraw/zinc/36/01/57/557360157.db2.gz VYZLTKZRAKNLNK-UHFFFAOYSA-N 0 0 439.515 4.954 50 0 IJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3cc(F)cc(F)c3)c2)cc1OC ZINC000023462101 557361191 /nfs/dbraw/zinc/36/11/91/557361191.db2.gz QHMREURFGQCJGQ-UHFFFAOYSA-N 0 0 449.457 4.765 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102709765 557367594 /nfs/dbraw/zinc/36/75/94/557367594.db2.gz HESACCWOPXDZNE-CCDWMCETSA-N 0 0 436.467 4.597 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220923577 557371242 /nfs/dbraw/zinc/37/12/42/557371242.db2.gz KPEGOAAVUPTMQO-OAHLLOKOSA-N 0 0 435.471 4.841 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102720164 557375708 /nfs/dbraw/zinc/37/57/08/557375708.db2.gz WZGPSKSACMITHU-FDFHNCONSA-N 0 0 434.517 4.588 50 0 IJAARN C[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)NC1CCCCC1 ZINC000102750134 557379175 /nfs/dbraw/zinc/37/91/75/557379175.db2.gz IOYKJNDKCHGIMR-NIJXNBFTSA-N 0 0 437.923 4.681 50 0 IJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000004863305 557398627 /nfs/dbraw/zinc/39/86/27/557398627.db2.gz SNZHGNKRRFMUBS-UHFFFAOYSA-N 0 0 427.544 4.916 50 0 IJAARN COc1ccc(-n2c(C(=CNc3ccc(Cl)cc3)[N+](=O)[O-])nnc2C(F)(F)F)cc1 ZINC000100344555 557400569 /nfs/dbraw/zinc/40/05/69/557400569.db2.gz JDTBYHIXSWXWGN-GDNBJRDFSA-N 0 0 439.781 4.635 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Br ZINC000014165888 557425310 /nfs/dbraw/zinc/42/53/10/557425310.db2.gz NJIOFIZFNODLLQ-UHFFFAOYSA-N 0 0 446.366 4.849 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000014861483 557507734 /nfs/dbraw/zinc/50/77/34/557507734.db2.gz OJGBKRRPWAAWFQ-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN Cc1cccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)[C@@H](C)C2)nc3=O)c1 ZINC000105900459 557512177 /nfs/dbraw/zinc/51/21/77/557512177.db2.gz YQCCLEFUWWWTGA-SFHVURJKSA-N 0 0 430.577 4.984 50 0 IJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000046914276 557513782 /nfs/dbraw/zinc/51/37/82/557513782.db2.gz FRWADOFCWDUPEX-CYBMUJFWSA-N 0 0 442.899 4.923 50 0 IJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCCC4)cc3)c2c1 ZINC000012082491 557527663 /nfs/dbraw/zinc/52/76/63/557527663.db2.gz WXDNPTMLPZCVBE-UHFFFAOYSA-N 0 0 433.508 4.932 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)N[C@H](C)CCc3ccccc3)C2)nn1 ZINC000106309443 557528074 /nfs/dbraw/zinc/52/80/74/557528074.db2.gz UGKKSURFTZZABZ-GGAORHGYSA-N 0 0 428.580 4.806 50 0 IJAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3C)N2C1=O ZINC000106420257 557529290 /nfs/dbraw/zinc/52/92/90/557529290.db2.gz LLPOBLKABNUVSC-NBQZKYEYSA-N 0 0 434.565 4.760 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(C)ccc2OC)C1 ZINC000044803728 557537438 /nfs/dbraw/zinc/53/74/38/557537438.db2.gz DFHUNCRNILALON-GOSISDBHSA-N 0 0 434.540 4.591 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]n2)cc1 ZINC000044838600 557538896 /nfs/dbraw/zinc/53/88/96/557538896.db2.gz VAKDFWKWINSTPL-UHFFFAOYSA-N 0 0 436.559 4.933 50 0 IJAARN Cn1c(=O)c2c(-c3cccc(Oc4ccccc4)c3)cc(-c3cccs3)nc2n(C)c1=O ZINC000044974146 557542270 /nfs/dbraw/zinc/54/22/70/557542270.db2.gz FSWWNQWLAUBUQE-UHFFFAOYSA-N 0 0 441.512 4.820 50 0 IJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)cc1OC ZINC000045941839 557551507 /nfs/dbraw/zinc/55/15/07/557551507.db2.gz VCEZISNTMQRMGQ-DEOSSOPVSA-N 0 0 433.479 4.938 50 0 IJAARN COc1cc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc(OC)c1 ZINC000045943361 557552352 /nfs/dbraw/zinc/55/23/52/557552352.db2.gz QEADDBPTSNTLPD-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN C[C@H](Nc1cc(C(F)(F)F)nc2ncnn21)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000225511720 557732610 /nfs/dbraw/zinc/73/26/10/557732610.db2.gz UBUKZNXPSSFNFR-LBPRGKRZSA-N 0 0 444.392 4.708 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1C ZINC000225539954 557738825 /nfs/dbraw/zinc/73/88/25/557738825.db2.gz QRCXGKDCXYPLOW-UHFFFAOYSA-N 0 0 437.005 4.647 50 0 IJAARN CCOc1cc(CNc2nnc(C(F)(F)F)o2)ccc1OCCOc1ccc(C)cc1 ZINC000225568357 557743822 /nfs/dbraw/zinc/74/38/22/557743822.db2.gz VUMOWXKYLRBXPF-UHFFFAOYSA-N 0 0 437.418 4.865 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCc3cc(Br)no3)n2CC)cc1 ZINC000225616287 557752913 /nfs/dbraw/zinc/75/29/13/557752913.db2.gz OAFLNCRSKPYMCT-UHFFFAOYSA-N 0 0 436.379 4.854 50 0 IJAARN CC(C)(C)OC(=O)NCc1cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)cc(C(F)(F)F)c1 ZINC000225629048 557754151 /nfs/dbraw/zinc/75/41/51/557754151.db2.gz JLPBNKKXTBZTPV-OAHLLOKOSA-N 0 0 438.450 4.512 50 0 IJAARN COC(=O)NCCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccccc2)s1 ZINC000225694058 557765147 /nfs/dbraw/zinc/76/51/47/557765147.db2.gz AGSCNCQRSKNJQO-QGZVFWFLSA-N 0 0 444.578 4.603 50 0 IJAARN Cc1nsc(N2CCCN(C(=O)c3c(C)c(-c4ccccc4)nc4ccccc43)CC2)n1 ZINC000225751070 557772849 /nfs/dbraw/zinc/77/28/49/557772849.db2.gz BKEQKBWEXUQCOL-UHFFFAOYSA-N 0 0 443.576 4.723 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229975238 557834541 /nfs/dbraw/zinc/83/45/41/557834541.db2.gz WZGPSKSACMITHU-BHDDXSALSA-N 0 0 434.517 4.588 50 0 IJAARN O=C(COc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1)NCCO ZINC000240465924 557845545 /nfs/dbraw/zinc/84/55/45/557845545.db2.gz GBLHWFFBTKADKN-UHFFFAOYSA-N 0 0 432.907 4.710 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)cc1C ZINC000025050404 557856643 /nfs/dbraw/zinc/85/66/43/557856643.db2.gz RJMGAYKBJAZLIM-UHFFFAOYSA-N 0 0 434.561 4.909 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000000888264 557856873 /nfs/dbraw/zinc/85/68/73/557856873.db2.gz LUIZOPOMCLXDGH-UHFFFAOYSA-N 0 0 444.560 4.906 50 0 IJAARN COc1ccccc1-c1noc(CSc2nc3sc4c(c3c(N)n2)CCCC4)n1 ZINC000018779290 557858721 /nfs/dbraw/zinc/85/87/21/557858721.db2.gz MYQVMYNLAWRRJG-UHFFFAOYSA-N 0 0 425.539 4.503 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1 ZINC000000950564 562919763 /nfs/dbraw/zinc/91/97/63/562919763.db2.gz CMZAKTONFMCKBX-NRFANRHFSA-N 0 0 442.910 4.921 50 0 IJAARN O=C(OCc1ccccc1)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1 ZINC000001114423 562920488 /nfs/dbraw/zinc/92/04/88/562920488.db2.gz XRYXCPYRFQKMTN-AQTBWJFISA-N 0 0 426.266 4.556 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784954 562924702 /nfs/dbraw/zinc/92/47/02/562924702.db2.gz PBTWKSYBRUAMHQ-CYBMUJFWSA-N 0 0 444.988 4.605 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000002726197 562930096 /nfs/dbraw/zinc/93/00/96/562930096.db2.gz OUEDIOPFXSWDPQ-UHFFFAOYSA-N 0 0 438.578 4.779 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000003023333 562931735 /nfs/dbraw/zinc/93/17/35/562931735.db2.gz CCFVCWKBWIXIBN-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1ccc(C)cc1C ZINC000003048009 562932203 /nfs/dbraw/zinc/93/22/03/562932203.db2.gz HRVACAKXLNTZDN-UHFFFAOYSA-N 0 0 426.538 4.785 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)C=Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003224074 562932991 /nfs/dbraw/zinc/93/29/91/562932991.db2.gz XQENRSIWPDXGJB-BVYAJCBJSA-N 0 0 443.455 4.554 50 0 IJAARN COc1cc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)ccc1OCc1ccccc1 ZINC000006014802 562945850 /nfs/dbraw/zinc/94/58/50/562945850.db2.gz VSMLZDDWBNVULO-UHFFFAOYSA-N 0 0 445.563 4.555 50 0 IJAARN CCCN(c1ccccc1CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000006866847 562948465 /nfs/dbraw/zinc/94/84/65/562948465.db2.gz ZXSVIVDBLRCPSD-QGZVFWFLSA-N 0 0 426.582 4.542 50 0 IJAARN CCc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)cc1 ZINC000008444738 562949379 /nfs/dbraw/zinc/94/93/79/562949379.db2.gz DHCVUADXJFZIIQ-PBSMCPNCSA-N 0 0 435.564 4.529 50 0 IJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4cccc(Br)c4)n3n2)cc1 ZINC000008583787 562949901 /nfs/dbraw/zinc/94/99/01/562949901.db2.gz HKXXJAUZCFHSLW-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(-c4cc5cc(Br)ccc5oc4=O)[nH]c(=O)c32)C1 ZINC000008588373 562950666 /nfs/dbraw/zinc/95/06/66/562950666.db2.gz NPHSFQFAFCJIAJ-SECBINFHSA-N 0 0 443.322 4.645 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000008588247 562950685 /nfs/dbraw/zinc/95/06/85/562950685.db2.gz MTLKWFPUBDJNLL-UHFFFAOYSA-N 0 0 431.945 4.716 50 0 IJAARN COc1cccc(-c2nn(C)c3sc(C(=O)NCCc4ccc(Cl)cc4)cc23)c1 ZINC000008596217 562953764 /nfs/dbraw/zinc/95/37/64/562953764.db2.gz GZSUHMXQXSASLG-UHFFFAOYSA-N 0 0 425.941 4.936 50 0 aggregator IJAARN COc1ccc(Cl)cc1Nc1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2n1 ZINC000008599578 562954790 /nfs/dbraw/zinc/95/47/90/562954790.db2.gz PTEHSVQGRNRJPF-UHFFFAOYSA-N 0 0 431.945 4.815 50 0 IJAARN COc1cc(Cl)c(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c(OC)c1 ZINC000008599953 562954899 /nfs/dbraw/zinc/95/48/99/562954899.db2.gz QWZHORXAGMDSSK-UHFFFAOYSA-N 0 0 436.899 4.662 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 ZINC000008601275 562955236 /nfs/dbraw/zinc/95/52/36/562955236.db2.gz ADZODYJRGXMVJX-NRFANRHFSA-N 0 0 427.591 4.991 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000008603108 562955929 /nfs/dbraw/zinc/95/59/29/562955929.db2.gz XJFWSLAVDXBJRL-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000008603173 562955948 /nfs/dbraw/zinc/95/59/48/562955948.db2.gz KMWCEFFOGHXOAI-UHFFFAOYSA-N 0 0 432.499 4.523 50 0 IJAARN COc1cc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc(OC)c1 ZINC000008604339 562956368 /nfs/dbraw/zinc/95/63/68/562956368.db2.gz CWBMXHWFLSAXBD-UHFFFAOYSA-N 0 0 445.519 4.793 50 0 IJAARN CCc1cccc(NC(=O)c2cc3c(ccn(Cc4ccc(OC)cc4)c3=O)nc2C)c1 ZINC000008605539 562956763 /nfs/dbraw/zinc/95/67/63/562956763.db2.gz GLGQNNBDDKETAS-UHFFFAOYSA-N 0 0 427.504 4.577 50 0 IJAARN CCCOc1cccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008606529 562957009 /nfs/dbraw/zinc/95/70/09/562957009.db2.gz TXNXNIRBMXLVCB-XMMPIXPASA-N 0 0 429.476 4.910 50 0 aggregator IJAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)s1 ZINC000008610457 562958177 /nfs/dbraw/zinc/95/81/77/562958177.db2.gz FMOKBOCTYZISHI-UHFFFAOYSA-N 0 0 429.977 4.763 50 0 IJAARN Cc1cccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)c1C ZINC000008610896 562958333 /nfs/dbraw/zinc/95/83/33/562958333.db2.gz HCVOVYWCPZBBOC-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000008611364 562958585 /nfs/dbraw/zinc/95/85/85/562958585.db2.gz PPAIHXDQDFTJIY-UHFFFAOYSA-N 0 0 428.536 4.603 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc2C)c(C)c1 ZINC000008686959 562962871 /nfs/dbraw/zinc/96/28/71/562962871.db2.gz MLPIZABXQXCIMW-IBGZPJMESA-N 0 0 438.549 4.819 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1)N1CCOCC1 ZINC000008773030 562964009 /nfs/dbraw/zinc/96/40/09/562964009.db2.gz XSEQOGQIYHGHNU-UHFFFAOYSA-N 0 0 436.726 4.972 50 0 IJAARN Cc1ccc(C(C)C)c(OCCSc2nc(-c3cccs3)nc3cc(=O)[nH]n32)c1 ZINC000008831190 562964939 /nfs/dbraw/zinc/96/49/39/562964939.db2.gz UMIHIBDBWDOGFO-UHFFFAOYSA-N 0 0 426.567 4.749 50 0 IJAARN COc1cccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)c1 ZINC000009366806 562969644 /nfs/dbraw/zinc/96/96/44/562969644.db2.gz AGGXTSKHYXMXOV-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)c1 ZINC000009432723 562970782 /nfs/dbraw/zinc/97/07/82/562970782.db2.gz WSZHQSJSXCBSSE-DHIUTWEWSA-N 0 0 434.561 4.876 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)cc1 ZINC000009490265 562971955 /nfs/dbraw/zinc/97/19/55/562971955.db2.gz AWJCTTYJUCZIFN-CKJXQJPGSA-N 0 0 448.560 4.580 50 0 IJAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cn(C)c3ccccc3c2=O)n1 ZINC000011938127 562979913 /nfs/dbraw/zinc/97/99/13/562979913.db2.gz MVPYGMRHWXGXPU-SANMLTNESA-N 0 0 448.526 4.511 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036067035 563090861 /nfs/dbraw/zinc/09/08/61/563090861.db2.gz HQTMNPFEMVNHON-DEOSSOPVSA-N 0 0 431.536 4.541 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)c(OC)c1 ZINC000023313354 568618162 /nfs/dbraw/zinc/61/81/62/568618162.db2.gz GGJRJGBPNCHFKX-IBGZPJMESA-N 0 0 442.462 4.933 50 0 IJAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102758648 568621572 /nfs/dbraw/zinc/62/15/72/568621572.db2.gz GIVHQZBGYVLNFQ-DNVJHFABSA-N 0 0 448.906 4.790 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4ccc(N(C)C)cc4)c3N2)cc1 ZINC000000900601 568636089 /nfs/dbraw/zinc/63/60/89/568636089.db2.gz VCAKXPVLWFNIEB-PMACEKPBSA-N 0 0 425.483 4.873 50 0 IJAARN COCc1nnc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)s1 ZINC000000938658 568639378 /nfs/dbraw/zinc/63/93/78/568639378.db2.gz XGYYNTBKHDHFQX-UXBLZVDNSA-N 0 0 445.928 4.577 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c1C ZINC000000943180 568641940 /nfs/dbraw/zinc/64/19/40/568641940.db2.gz QIDWSXKGLTZKPR-UHFFFAOYSA-N 0 0 443.594 4.975 50 0 IJAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 ZINC000000955672 568645773 /nfs/dbraw/zinc/64/57/73/568645773.db2.gz GWALYZXTOGDOBB-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN Cc1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)cc1 ZINC000000959921 568646558 /nfs/dbraw/zinc/64/65/58/568646558.db2.gz MBUJHODALBGKKM-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960047 568646806 /nfs/dbraw/zinc/64/68/06/568646806.db2.gz MFLOSFQZRUKIHP-UHFFFAOYSA-N 0 0 449.869 4.509 50 0 IJAARN COc1cc(Br)c([C@H](C)NC(=O)c2ccccc2Br)cc1OC ZINC000000995553 568649347 /nfs/dbraw/zinc/64/93/47/568649347.db2.gz NUZDZSJKRIQNPX-JTQLQIEISA-N 0 0 443.135 4.720 50 0 IJAARN COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000001002202 568650825 /nfs/dbraw/zinc/65/08/25/568650825.db2.gz QOMCZAHHQVEWKB-UHFFFAOYSA-N 0 0 425.506 4.709 50 0 IJAARN CC(=O)Oc1cc2c(cc1Cl)[C@@]1(C[C@H](c3ccccc3)O2)CC(C)(C)NC(=S)N1 ZINC000001025539 568653146 /nfs/dbraw/zinc/65/31/46/568653146.db2.gz KBGCHKOUMZJVDC-DENIHFKCSA-N 0 0 430.957 4.631 50 0 IJAARN Nc1c(Cl)cc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1Cl ZINC000025392640 568656314 /nfs/dbraw/zinc/65/63/14/568656314.db2.gz IDZVAISZAJYFPK-UHFFFAOYSA-N 0 0 440.286 4.624 50 0 IJAARN Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000001072127 568656582 /nfs/dbraw/zinc/65/65/82/568656582.db2.gz ILJPIRQHUZDPFY-UHFFFAOYSA-N 0 0 435.387 4.685 50 0 IJAARN O=C(Nc1ccccc1NS(=O)(=O)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000001080295 568656888 /nfs/dbraw/zinc/65/68/88/568656888.db2.gz QRJLOJMKTIVKFG-UHFFFAOYSA-N 0 0 434.439 4.900 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000025437396 568657864 /nfs/dbraw/zinc/65/78/64/568657864.db2.gz ZYIYKWKAJDDAPY-GOSISDBHSA-N 0 0 434.492 4.962 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000001088143 568658339 /nfs/dbraw/zinc/65/83/39/568658339.db2.gz QMMRCBRSMGMPBW-SJORKVTESA-N 0 0 437.517 4.961 50 0 IJAARN O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1Br ZINC000052537635 568658873 /nfs/dbraw/zinc/65/88/73/568658873.db2.gz JLERSXYAMOXWJX-UHFFFAOYSA-N 0 0 443.172 4.517 50 0 IJAARN COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]21C ZINC000257358785 568731596 /nfs/dbraw/zinc/73/15/96/568731596.db2.gz WKTMPEKHRSIDAY-BPLBAMJDSA-N 0 0 434.617 4.747 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257357940 568731612 /nfs/dbraw/zinc/73/16/12/568731612.db2.gz QVZULXNXCIFMTL-CLFUGFJNSA-N 0 0 430.629 4.973 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]12 ZINC000001195754 568736690 /nfs/dbraw/zinc/73/66/90/568736690.db2.gz UJHZRTNOKDYPQU-PGAZUGQPSA-N 0 0 441.914 4.788 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034731659 568737797 /nfs/dbraw/zinc/73/77/97/568737797.db2.gz DFSPUEOKIJIMDS-RTWAWAEBSA-N 0 0 445.538 4.776 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1I ZINC000001214289 568739437 /nfs/dbraw/zinc/73/94/37/568739437.db2.gz YMJLUAONZCKQAS-UHFFFAOYSA-N 0 0 436.474 4.959 50 0 IJAARN CC1CCC(N(C)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1 ZINC000025624858 568741837 /nfs/dbraw/zinc/74/18/37/568741837.db2.gz UQYXOWNIDLSWIK-UHFFFAOYSA-N 0 0 434.989 4.816 50 0 IJAARN O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)N1CCCC1 ZINC000003222890 568743138 /nfs/dbraw/zinc/74/31/38/568743138.db2.gz KJECLSMVFFCWMX-UHFFFAOYSA-N 0 0 447.585 4.829 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3ccccc3Cl)cc12 ZINC000003227924 568743270 /nfs/dbraw/zinc/74/32/70/568743270.db2.gz YQRHPVPEIALUAX-UHFFFAOYSA-N 0 0 443.887 4.983 50 0 IJAARN CCOCCCNc1sc(C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1C(=O)NC1CC1 ZINC000003251171 568744037 /nfs/dbraw/zinc/74/40/37/568744037.db2.gz WUWKVNOFQVHLSX-UHFFFAOYSA-N 0 0 443.613 4.590 50 0 IJAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)c1 ZINC000003271170 568744619 /nfs/dbraw/zinc/74/46/19/568744619.db2.gz VCHXGPPMWIEIFB-UHFFFAOYSA-N 0 0 427.618 4.865 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000003295558 568745375 /nfs/dbraw/zinc/74/53/75/568745375.db2.gz SKRHVUNULKPFSM-UHFFFAOYSA-N 0 0 431.564 4.571 50 0 IJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003291445 568745376 /nfs/dbraw/zinc/74/53/76/568745376.db2.gz ZJVAFNIXIYAEFU-UHFFFAOYSA-N 0 0 426.700 4.568 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000044005850 568745689 /nfs/dbraw/zinc/74/56/89/568745689.db2.gz VOMPFBPCKWCZRF-UHFFFAOYSA-N 0 0 447.938 4.697 50 0 IJAARN O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)NC(c1ccccc1)c1ccccc1 ZINC000044006944 568745703 /nfs/dbraw/zinc/74/57/03/568745703.db2.gz NVOHEQIRBCKNPV-UHFFFAOYSA-N 0 0 445.538 4.767 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)s2)cc1C ZINC000003445136 568749620 /nfs/dbraw/zinc/74/96/20/568749620.db2.gz HHXRGPQUQUZLJN-CQSZACIVSA-N 0 0 442.566 4.789 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(Br)cc1 ZINC000003486777 568750211 /nfs/dbraw/zinc/75/02/11/568750211.db2.gz OQPANSILARBNHI-UHFFFAOYSA-N 0 0 449.654 4.832 50 0 IJAARN COc1ccc(NC(=O)[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(C)cc2)cc1 ZINC000003615123 568751577 /nfs/dbraw/zinc/75/15/77/568751577.db2.gz TZBNPESRASUVKE-VWLOTQADSA-N 0 0 427.504 4.524 50 0 IJAARN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2ccc(Br)cc2)C(=O)CCC1 ZINC000003628140 568751902 /nfs/dbraw/zinc/75/19/02/568751902.db2.gz RWYBMCIWXSAAMA-KRWDZBQOSA-N 0 0 427.342 4.704 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000012599910 568754786 /nfs/dbraw/zinc/75/47/86/568754786.db2.gz KRYLFWDNMKMXPN-JFIYKMOQSA-N 0 0 431.964 4.536 50 0 IJAARN Cc1c(C(=O)NCc2ccc(Cl)s2)sc2ncnc(NCc3cccc(C)n3)c12 ZINC000299770854 568756624 /nfs/dbraw/zinc/75/66/24/568756624.db2.gz RPHZOPSBLBLAEQ-UHFFFAOYSA-N 0 0 443.985 4.960 50 0 IJAARN COc1ccc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263586050 568759278 /nfs/dbraw/zinc/75/92/78/568759278.db2.gz PFHNMVHBGDFWOD-XMMPIXPASA-N 0 0 443.547 4.896 50 0 biogenic IJAARN CSc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391005 568761428 /nfs/dbraw/zinc/76/14/28/568761428.db2.gz NFXATOYPXHHWNQ-INIZCTEOSA-N 0 0 439.002 4.634 50 0 IJAARN O=C(c1cc2c(nc3ccccn3c2=O)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000015441463 568762302 /nfs/dbraw/zinc/76/23/02/568762302.db2.gz ZSIGFANNQKWITI-UHFFFAOYSA-N 0 0 425.513 4.752 50 0 IJAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)nc(N)c32)CO1 ZINC000001239385 568774515 /nfs/dbraw/zinc/77/45/15/568774515.db2.gz IYLYYGXUNSRESB-OAQYLSRUSA-N 0 0 428.583 4.554 50 0 IJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1F ZINC000263615208 568775965 /nfs/dbraw/zinc/77/59/65/568775965.db2.gz BDXATPVIOLUGQC-LJQANCHMSA-N 0 0 426.835 4.673 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccc(OC)c(OC)c2)nn1 ZINC000001332246 568780374 /nfs/dbraw/zinc/78/03/74/568780374.db2.gz ZYKXAFGHMGUASG-UHFFFAOYSA-N 0 0 445.928 4.554 50 0 IJAARN Nc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000004124749 568780675 /nfs/dbraw/zinc/78/06/75/568780675.db2.gz JJIUBUHFVZBAKC-HSZRJFAPSA-N 0 0 441.314 4.583 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032104065 568781021 /nfs/dbraw/zinc/78/10/21/568781021.db2.gz LYZBNGSPGLUSMG-OAQYLSRUSA-N 0 0 432.351 4.727 50 0 IJAARN Cc1nc(NC(=O)c2ccc(Br)o2)sc1-c1nc(-c2cccs2)no1 ZINC000032103963 568781082 /nfs/dbraw/zinc/78/10/82/568781082.db2.gz SBBJCTLEEQTTLV-UHFFFAOYSA-N 0 0 437.300 4.838 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000025813602 568782842 /nfs/dbraw/zinc/78/28/42/568782842.db2.gz DHVCFECPWQLVEI-UHFFFAOYSA-N 0 0 433.577 4.847 50 0 IJAARN FC(F)(F)c1cnc(Oc2c(-n3cncn3)cnn2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000001390107 568784881 /nfs/dbraw/zinc/78/48/81/568784881.db2.gz AWESJXCRYRWYMK-UHFFFAOYSA-N 0 0 441.200 4.966 50 0 IJAARN C[C@H](Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccnc2ncnn21 ZINC000001389700 568784996 /nfs/dbraw/zinc/78/49/96/568784996.db2.gz SPOQBUQNFHKVCK-LBPRGKRZSA-N 0 0 433.821 4.922 50 0 IJAARN COC(=O)c1ccccc1NC(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001391190 568785173 /nfs/dbraw/zinc/78/51/73/568785173.db2.gz SDLQTWCRZFMUIT-UHFFFAOYSA-N 0 0 446.290 4.634 50 0 IJAARN COc1ccccc1C[C@@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000083980036 568787874 /nfs/dbraw/zinc/78/78/74/568787874.db2.gz MFYWNBDNZSEJMP-KRWDZBQOSA-N 0 0 440.341 4.695 50 0 IJAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O)C(=O)c1ccccc1 ZINC000001120391 568788078 /nfs/dbraw/zinc/78/80/78/568788078.db2.gz SRDXFGDYXFXOPG-QHCPKHFHSA-N 0 0 441.483 4.922 50 0 IJAARN CC(=O)COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)cc1 ZINC000001158094 568788219 /nfs/dbraw/zinc/78/82/19/568788219.db2.gz UHCHUSNOSTWOBW-UHFFFAOYSA-N 0 0 443.455 4.642 50 0 IJAARN Cc1ccsc1[C@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001422030 568793356 /nfs/dbraw/zinc/79/33/56/568793356.db2.gz HEFRAVIBLFBWNT-UXHICEINSA-N 0 0 427.909 4.970 50 0 IJAARN CN(C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccc(I)cc1 ZINC000585672416 568795279 /nfs/dbraw/zinc/79/52/79/568795279.db2.gz COBQEZMYOUHOEV-KOMQPUFPSA-N 0 0 444.357 4.811 50 0 IJAARN C[C@@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000084715219 568800223 /nfs/dbraw/zinc/80/02/23/568800223.db2.gz AALGJQUCTWRVDI-OAQYLSRUSA-N 0 0 437.547 4.630 50 0 IJAARN CCCN(CC)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000084755161 568801132 /nfs/dbraw/zinc/80/11/32/568801132.db2.gz JCPGALOFPWXVDA-UHFFFAOYSA-N 0 0 443.975 4.773 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCS[C@H](c4ccccc4F)CC3)[nH]n2)c1 ZINC000219077537 568801219 /nfs/dbraw/zinc/80/12/19/568801219.db2.gz NQZDRMSRXDYCAG-QFIPXVFZSA-N 0 0 441.528 4.553 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c1 ZINC000015670833 568802362 /nfs/dbraw/zinc/80/23/62/568802362.db2.gz JKNZCOVUCRLSFG-UHFFFAOYSA-N 0 0 438.509 4.583 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000015671346 568802914 /nfs/dbraw/zinc/80/29/14/568802914.db2.gz RMAMZDYGDZOBED-UHFFFAOYSA-N 0 0 437.569 4.628 50 0 IJAARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)Nc1ccccc1C(F)(F)F ZINC000015677999 568804936 /nfs/dbraw/zinc/80/49/36/568804936.db2.gz ZOCUQEDCVFEHIT-UHFFFAOYSA-N 0 0 429.423 4.851 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccc(CC)cc1 ZINC000015680319 568806032 /nfs/dbraw/zinc/80/60/32/568806032.db2.gz DGSNZKZRQFABTE-UHFFFAOYSA-N 0 0 441.553 4.656 50 0 IJAARN COc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccc(C)cc2)c2ccccc21 ZINC000015680818 568806234 /nfs/dbraw/zinc/80/62/34/568806234.db2.gz DYHGMAPIJRACOA-UHFFFAOYSA-N 0 0 448.544 4.571 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccc(F)cc1F ZINC000015680811 568806342 /nfs/dbraw/zinc/80/63/42/568806342.db2.gz HIPUDMWNWQHXFB-UHFFFAOYSA-N 0 0 440.471 4.532 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c2-n2cccc2)cc1 ZINC000015681357 568806563 /nfs/dbraw/zinc/80/65/63/568806563.db2.gz MHYKUZYREDNMJS-QFIPXVFZSA-N 0 0 439.563 4.631 50 0 IJAARN Cc1ccc(-c2nc(SCc3cc(=O)n4c(-c5ccccc5)csc4n3)n[nH]2)cc1 ZINC000015732024 568814769 /nfs/dbraw/zinc/81/47/69/568814769.db2.gz CGJZDFRVPAHZAI-UHFFFAOYSA-N 0 0 431.546 4.809 50 0 IJAARN CCOc1ccc(CCNc2nccn(-c3cccc(C(F)(F)F)c3)c2=O)cc1OCC ZINC000015732420 568815279 /nfs/dbraw/zinc/81/52/79/568815279.db2.gz NQTXIOYZVXRIBB-UHFFFAOYSA-N 0 0 447.457 4.703 50 0 IJAARN CCOc1ccccc1CNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000015733774 568815982 /nfs/dbraw/zinc/81/59/82/568815982.db2.gz RJAFYFXZAPIMMA-UHFFFAOYSA-N 0 0 440.565 4.509 50 0 IJAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001448084 568817482 /nfs/dbraw/zinc/81/74/82/568817482.db2.gz GQANCANAOPEUIS-UHFFFAOYSA-N 0 0 430.412 4.900 50 0 biogenic IJAARN CCn1c(SCC(=O)NCCc2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000001465549 568820256 /nfs/dbraw/zinc/82/02/56/568820256.db2.gz GPBNCCLBLMSZAC-UHFFFAOYSA-N 0 0 449.601 4.596 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc3c(c2)OCO3)cc1 ZINC000001468055 568820401 /nfs/dbraw/zinc/82/04/01/568820401.db2.gz JPXBYTXJAWIRBL-UHFFFAOYSA-N 0 0 445.500 4.647 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000085644588 568829578 /nfs/dbraw/zinc/82/95/78/568829578.db2.gz YXGDTGAPUYTLLR-UHFFFAOYSA-N 0 0 441.534 4.689 50 0 IJAARN Cc1c2cc(S(=O)(=O)Nc3ccccc3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000085654787 568834059 /nfs/dbraw/zinc/83/40/59/568834059.db2.gz ISMIBPSAVPOZQB-UHFFFAOYSA-N 0 0 432.461 4.654 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)cc1 ZINC000001508325 568835535 /nfs/dbraw/zinc/83/55/35/568835535.db2.gz JIPZZEBVLWIVID-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 ZINC000001417205 568836639 /nfs/dbraw/zinc/83/66/39/568836639.db2.gz RMZFLJBSIWUFDU-UHFFFAOYSA-N 0 0 431.521 4.883 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000001077433 568836688 /nfs/dbraw/zinc/83/66/88/568836688.db2.gz CCKWIHYYWSZFLD-UHFFFAOYSA-N 0 0 430.839 4.961 50 0 IJAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccccc3)c3ccc4c(c3)OCO4)c21 ZINC000085875653 568838117 /nfs/dbraw/zinc/83/81/17/568838117.db2.gz VMTWTAVPSVIPBG-LJQANCHMSA-N 0 0 428.488 4.744 50 0 biogenic IJAARN COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CSc2cc(C)ccc2C)cc(=O)c1O ZINC000085879004 568838951 /nfs/dbraw/zinc/83/89/51/568838951.db2.gz UHJHLJMNANDWCS-LJQANCHMSA-N 0 0 440.517 4.655 50 0 biogenic IJAARN C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015796625 568838967 /nfs/dbraw/zinc/83/89/67/568838967.db2.gz ZTXLEZOICKETDZ-AWEZNQCLSA-N 0 0 426.460 4.521 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccccc4C)CC3)s2)cc1 ZINC000015827963 568841150 /nfs/dbraw/zinc/84/11/50/568841150.db2.gz SGGCVVIABZKYKK-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccccc1[C@H]1Nc2ccccc2-n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000015834064 568842391 /nfs/dbraw/zinc/84/23/91/568842391.db2.gz GCJMJLGAERYFRK-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccccc2OCC)o1 ZINC000025694846 568842738 /nfs/dbraw/zinc/84/27/38/568842738.db2.gz JEGPTIBBYZHEQX-UHFFFAOYSA-N 0 0 439.508 4.706 50 0 IJAARN CCOc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccco5)nn4cnc32)cc1OCC ZINC000015842383 568844698 /nfs/dbraw/zinc/84/46/98/568844698.db2.gz HKQBBDPZXQUKRF-UHFFFAOYSA-N 0 0 445.523 4.996 50 0 IJAARN COc1ccccc1NC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccccc1 ZINC000015860586 568847871 /nfs/dbraw/zinc/84/78/71/568847871.db2.gz XBAXIGAJSHRIHM-UHFFFAOYSA-N 0 0 430.533 4.647 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015865311 568850133 /nfs/dbraw/zinc/85/01/33/568850133.db2.gz OQCPIJSEPHPQCB-UHFFFAOYSA-N 0 0 440.956 4.973 50 0 IJAARN CCc1cccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000015868190 568851001 /nfs/dbraw/zinc/85/10/01/568851001.db2.gz DQOISIUKKBVFDB-UHFFFAOYSA-N 0 0 425.414 4.933 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870192 568851623 /nfs/dbraw/zinc/85/16/23/568851623.db2.gz PMBHZLUXVOYDDO-UHFFFAOYSA-N 0 0 437.546 4.912 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000006177070 568852437 /nfs/dbraw/zinc/85/24/37/568852437.db2.gz HJJLNGSRUPIKBB-GOSISDBHSA-N 0 0 445.494 4.784 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880630 568854865 /nfs/dbraw/zinc/85/48/65/568854865.db2.gz NYQKHPWYBLSDRV-ZDUSSCGKSA-N 0 0 426.929 4.961 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000015881517 568855313 /nfs/dbraw/zinc/85/53/13/568855313.db2.gz JULJBTBDWVYZEB-UHFFFAOYSA-N 0 0 432.480 4.630 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000015882488 568857008 /nfs/dbraw/zinc/85/70/08/568857008.db2.gz DKWUPXUEGDFCNA-UHFFFAOYSA-N 0 0 427.504 4.582 50 0 IJAARN Cc1cccc2sc(NC(=O)c3cc4cccnc4n(Cc4ccccc4)c3=O)nc21 ZINC000015883317 568857576 /nfs/dbraw/zinc/85/75/76/568857576.db2.gz LKHNFHICQBYXMW-UHFFFAOYSA-N 0 0 426.501 4.615 50 0 IJAARN CN1c2ccccc2C(C)(C)C1C=c1c(=O)c(=CC2N(C)c3ccccc3C2(C)C)c1=O ZINC000006026002 568865604 /nfs/dbraw/zinc/86/56/04/568865604.db2.gz CFVIMEDAYWKPOC-DFEHQXHXSA-N 0 0 426.560 4.994 50 0 IJAARN Cc1c2ccc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000016042855 568868411 /nfs/dbraw/zinc/86/84/11/568868411.db2.gz LDRAXLUYUCTCSF-MRXNPFEDSA-N 0 0 437.492 4.511 50 0 IJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3I)c(=O)oc2c1 ZINC000012939469 568868560 /nfs/dbraw/zinc/86/85/60/568868560.db2.gz XNIPHSMMESPELD-UHFFFAOYSA-N 0 0 447.272 4.586 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012939587 568868684 /nfs/dbraw/zinc/86/86/84/568868684.db2.gz UKJHNUDHLICREK-VWLOTQADSA-N 0 0 436.577 4.968 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2cccc(F)c2)sc2c1CC[C@H](C)C2 ZINC000016043482 568873445 /nfs/dbraw/zinc/87/34/45/568873445.db2.gz OYFUGLAAPPJEMK-LSDHHAIUSA-N 0 0 432.561 4.648 50 0 IJAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc(C(C)(C)C)cc4)c(=O)n3n2)cc1 ZINC000006214021 568880331 /nfs/dbraw/zinc/88/03/31/568880331.db2.gz NFVGNRAKZCLMQI-KGENOOAVSA-N 0 0 433.577 4.698 50 0 IJAARN COc1ccc(-c2nc(SCc3nnc(-c4ccccc4Br)o3)n[nH]2)cc1 ZINC000009980423 568884253 /nfs/dbraw/zinc/88/42/53/568884253.db2.gz UAEOMRZSJWUKHD-UHFFFAOYSA-N 0 0 444.314 4.585 50 0 IJAARN O=C(NCCCN1CCCC1=O)c1sc2c(cnc3c(F)cccc23)c1-c1ccccc1 ZINC000035481642 568884821 /nfs/dbraw/zinc/88/48/21/568884821.db2.gz UIYWFQMFUYGBND-UHFFFAOYSA-N 0 0 447.535 4.998 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000090593250 568888982 /nfs/dbraw/zinc/88/89/82/568888982.db2.gz LQZRITZXTTXTBN-AWEZNQCLSA-N 0 0 443.931 4.580 50 0 IJAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1Br ZINC000090607138 568889666 /nfs/dbraw/zinc/88/96/66/568889666.db2.gz RCQFPUMGQIZMFY-UHFFFAOYSA-N 0 0 425.330 4.753 50 0 IJAARN CCOc1c(Br)cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1OC ZINC000012976680 568891150 /nfs/dbraw/zinc/89/11/50/568891150.db2.gz BTWPKFDSLPIXSG-UHFFFAOYSA-N 0 0 432.236 4.805 50 0 IJAARN c1coc(-c2nc3ccccc3c(SC[C@H]3CSc4nnc(-c5cccnc5)n43)n2)c1 ZINC000012979517 568892094 /nfs/dbraw/zinc/89/20/94/568892094.db2.gz RXOWEWQPGDCEDQ-HNNXBMFYSA-N 0 0 444.545 4.982 50 0 IJAARN COc1cc(/C=C/C(=O)N(CCc2cccs2)Cc2ccoc2)cc(OC)c1OC ZINC000090612370 568892494 /nfs/dbraw/zinc/89/24/94/568892494.db2.gz PFKVDNXXCOBMLE-VOTSOKGWSA-N 0 0 427.522 4.652 50 0 IJAARN COc1ccc(Br)c(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 ZINC000090613656 568892535 /nfs/dbraw/zinc/89/25/35/568892535.db2.gz VKYSQTOPNIGJBA-KRWDZBQOSA-N 0 0 438.368 4.592 50 0 IJAARN COc1ccc(Cc2nnc(C3CCN(C(=O)Nc4ccccc4OC)CC3)s2)cc1 ZINC000035597029 568893320 /nfs/dbraw/zinc/89/33/20/568893320.db2.gz AHADSVZMETYMCK-UHFFFAOYSA-N 0 0 438.553 4.558 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1OC ZINC000012981059 568894457 /nfs/dbraw/zinc/89/44/57/568894457.db2.gz ZYFARVJCXUNMRT-UHFFFAOYSA-N 0 0 434.540 4.650 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1 ZINC000012997026 568896886 /nfs/dbraw/zinc/89/68/86/568896886.db2.gz UOYWTXYFUYGIRO-UHFFFAOYSA-N 0 0 433.327 4.771 50 0 IJAARN C[C@H](c1nc2cc(Cl)ccc2c(=O)n1C)N(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000016424150 568896954 /nfs/dbraw/zinc/89/69/54/568896954.db2.gz BWHWPKAXBDCTST-QGZVFWFLSA-N 0 0 445.950 4.938 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)n1 ZINC000013009274 568899745 /nfs/dbraw/zinc/89/97/45/568899745.db2.gz XPXWEDDEEOVCKO-MAUKXSAKSA-N 0 0 443.573 4.712 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1=O)c1cc(Br)c(Br)s1 ZINC000013018128 568901781 /nfs/dbraw/zinc/90/17/81/568901781.db2.gz ZWUHXZFGHXWOMM-UHFFFAOYSA-N 0 0 444.148 4.652 50 0 IJAARN CC(C)(C)[C@H]1CC[C@](CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(n2cccc2)CC1 ZINC000252511494 568902887 /nfs/dbraw/zinc/90/28/87/568902887.db2.gz HHUBVOMUZLNONT-RSOWOKRSSA-N 0 0 435.612 4.617 50 0 biogenic IJAARN CCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1)C(C)C ZINC000016462104 568905504 /nfs/dbraw/zinc/90/55/04/568905504.db2.gz XAJFCWAGHPKHQC-UHFFFAOYSA-N 0 0 449.570 4.851 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)c1 ZINC000390832795 568909399 /nfs/dbraw/zinc/90/93/99/568909399.db2.gz TZIWJMKSPHCTIW-INIZCTEOSA-N 0 0 445.560 4.684 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc1Cl ZINC000238950312 568910460 /nfs/dbraw/zinc/91/04/60/568910460.db2.gz XQVMXHXLRKLALN-WKILWMFISA-N 0 0 425.916 4.504 50 0 IJAARN CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000242339384 568912767 /nfs/dbraw/zinc/91/27/67/568912767.db2.gz ZHJHWQJOQPSQLR-NVQRDWNXSA-N 0 0 437.367 4.537 50 0 IJAARN C[C@@H](CNC(=O)c1cc(Br)ccc1I)c1ccccc1 ZINC000026755363 568916579 /nfs/dbraw/zinc/91/65/79/568916579.db2.gz QXLZNXLFXJCZBW-NSHDSACASA-N 0 0 444.110 4.587 50 0 IJAARN Cc1oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c(=O)c1Oc1ccccc1 ZINC000001907691 568919689 /nfs/dbraw/zinc/91/96/89/568919689.db2.gz BRJHNKZWKCLQHD-AWEZNQCLSA-N 0 0 439.464 4.712 50 0 IJAARN O=C(C1CCC1)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000016497909 568920413 /nfs/dbraw/zinc/92/04/13/568920413.db2.gz PNPLBDSSHGZICU-UHFFFAOYSA-N 0 0 443.496 4.515 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000089365555 568921234 /nfs/dbraw/zinc/92/12/34/568921234.db2.gz RMADWURTQDKHAY-RCZVLFRGSA-N 0 0 431.536 4.811 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000016572434 568922273 /nfs/dbraw/zinc/92/22/73/568922273.db2.gz ASSMMRZAVWVPKK-APWZRJJASA-N 0 0 437.569 4.997 50 0 IJAARN Cc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001926307 568923452 /nfs/dbraw/zinc/92/34/52/568923452.db2.gz BUCFNBVZMGEKTD-UHFFFAOYSA-N 0 0 439.514 4.507 50 0 IJAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000001135830 568924843 /nfs/dbraw/zinc/92/48/43/568924843.db2.gz IEHGBUXVRBNENJ-UHFFFAOYSA-N 0 0 428.868 4.512 50 0 biogenic IJAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OC(=O)CNC(=O)c1ccccc1)CCC3 ZINC000002139112 568924935 /nfs/dbraw/zinc/92/49/35/568924935.db2.gz PSBRYQKGJZODSJ-UHFFFAOYSA-N 0 0 447.531 4.740 50 0 biogenic IJAARN Clc1ccc(Cl)c(Nc2nc3no[nH]c-3nc2=NN=Cc2c[nH]c3ccccc23)c1 ZINC000252594883 568925205 /nfs/dbraw/zinc/92/52/05/568925205.db2.gz BWSOOGUGVINOJO-UHFFFAOYSA-N 0 0 439.266 4.991 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004082572 568926156 /nfs/dbraw/zinc/92/61/56/568926156.db2.gz SDHHPVPFUVQWKY-AVHYYFBHSA-N 0 0 428.569 4.938 50 0 biogenic IJAARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(OC)c1 ZINC000252626922 568926344 /nfs/dbraw/zinc/92/63/44/568926344.db2.gz RIISUPHHAPDSNA-UHFFFAOYSA-N 0 0 441.495 4.822 50 0 IJAARN COc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000089469767 568926529 /nfs/dbraw/zinc/92/65/29/568926529.db2.gz UHWCEBRDTYBVJQ-JOCHJYFZSA-N 0 0 426.925 4.889 50 0 IJAARN CS(=O)(=O)Cc1cccc(C(=O)N(c2cc3c(cc2Cl)OCO3)C2CCCCC2)c1 ZINC000089484373 568926804 /nfs/dbraw/zinc/92/68/04/568926804.db2.gz ZQAFOQUDGVRJHN-UHFFFAOYSA-N 0 0 449.956 4.593 50 0 IJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)cc1OC ZINC000064450235 568928624 /nfs/dbraw/zinc/92/86/24/568928624.db2.gz RFILQDQMDRLTHD-FQEVSTJZSA-N 0 0 447.535 4.849 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452477 568929219 /nfs/dbraw/zinc/92/92/19/568929219.db2.gz GFYZLKAWXOSVBL-QGZVFWFLSA-N 0 0 440.906 4.594 50 0 IJAARN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452556 568929335 /nfs/dbraw/zinc/92/93/35/568929335.db2.gz VOTKTPRVMCFKJB-QFIPXVFZSA-N 0 0 430.552 4.673 50 0 IJAARN CC(C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccs1 ZINC000016653602 568929563 /nfs/dbraw/zinc/92/95/63/568929563.db2.gz MZDYYXDRIZLLQW-UHFFFAOYSA-N 0 0 433.526 4.706 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)n(-c3ccccc3)n2)cc1Cl ZINC000064472831 568929771 /nfs/dbraw/zinc/92/97/71/568929771.db2.gz XVYUDBMTVGTNCP-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557759 568931799 /nfs/dbraw/zinc/93/17/99/568931799.db2.gz BSPVQDLOLQJFCM-QFIPXVFZSA-N 0 0 449.528 4.643 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4cccc(C)c4)no3)cc2)cc1OC ZINC000064580022 568934304 /nfs/dbraw/zinc/93/43/04/568934304.db2.gz YEKSXXCJSOAJPU-UHFFFAOYSA-N 0 0 429.476 4.910 50 0 IJAARN Cc1ccc(Cl)cc1-n1ccn2c(SCc3ccc(F)cc3Cl)nnc2c1=O ZINC000064593796 568936141 /nfs/dbraw/zinc/93/61/41/568936141.db2.gz XQWOTIHOTFHXJY-UHFFFAOYSA-N 0 0 435.311 4.927 50 0 IJAARN Cc1ccc(CN2C[C@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000006637395 568941997 /nfs/dbraw/zinc/94/19/97/568941997.db2.gz CZGSKLUKEXOTAE-RUZDIDTESA-N 0 0 426.560 4.682 50 0 IJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(C)cc3)csc21 ZINC000064656711 568942164 /nfs/dbraw/zinc/94/21/64/568942164.db2.gz FMCRYQICHJQDKC-KRWDZBQOSA-N 0 0 427.547 4.762 50 0 IJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c(S(=O)(=O)c3cccc(C)c3)csc21 ZINC000064656987 568942337 /nfs/dbraw/zinc/94/23/37/568942337.db2.gz NWSUXUVBTZCEOC-KRWDZBQOSA-N 0 0 427.547 4.762 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)cc1 ZINC000064660268 568942509 /nfs/dbraw/zinc/94/25/09/568942509.db2.gz ZKKUVIZUAAERGY-UHFFFAOYSA-N 0 0 428.579 4.573 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCc3nc(-c4cccc(OC)c4)sc3C2)cc1 ZINC000064660271 568942581 /nfs/dbraw/zinc/94/25/81/568942581.db2.gz XPXUTXCZWQXVDO-UHFFFAOYSA-N 0 0 428.579 4.518 50 0 IJAARN Cc1c(S(=O)(=O)N2CCc3ccccc32)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668062 568943085 /nfs/dbraw/zinc/94/30/85/568943085.db2.gz OZQLRENUSXQBKM-UHFFFAOYSA-N 0 0 435.574 4.875 50 0 IJAARN Nc1c(-c2nc(-c3cccc(Br)c3)cs2)nnn1-c1cc(F)ccc1F ZINC000064664496 568943560 /nfs/dbraw/zinc/94/35/60/568943560.db2.gz MFVZJFWXINDYEY-UHFFFAOYSA-N 0 0 434.269 4.681 50 0 IJAARN Cc1ccc(-n2nnc(-c3nc(-c4cccc(Br)c4)cs3)c2N)cc1F ZINC000064664492 568943587 /nfs/dbraw/zinc/94/35/87/568943587.db2.gz LBLWWBGUHWYHBZ-UHFFFAOYSA-N 0 0 430.306 4.850 50 0 IJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000064690493 568944187 /nfs/dbraw/zinc/94/41/87/568944187.db2.gz AAYARISOORZSHZ-UHFFFAOYSA-N 0 0 438.959 4.793 50 0 IJAARN Cc1ccc(N2CCN(c3nc4cc(C)c(C)cc4nc3C(=O)OC(C)C)CC2)c(C)c1 ZINC000064690622 568944206 /nfs/dbraw/zinc/94/42/06/568944206.db2.gz PJRRSQUEBXGVAL-UHFFFAOYSA-N 0 0 432.568 4.755 50 0 IJAARN COc1cc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)cc(OC)c1OC ZINC000064690569 568944224 /nfs/dbraw/zinc/94/42/24/568944224.db2.gz XXAYVHOSGSSEPG-UHFFFAOYSA-N 0 0 425.485 4.581 50 0 IJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cccc(C)c2C)CC1 ZINC000064690448 568944225 /nfs/dbraw/zinc/94/42/25/568944225.db2.gz BFQJODWIMKZPAW-UHFFFAOYSA-N 0 0 432.568 4.757 50 0 IJAARN Cc1cccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC3CC3)co2)c1 ZINC000036064025 568944862 /nfs/dbraw/zinc/94/48/62/568944862.db2.gz SNJADXXZHJKDKD-UHFFFAOYSA-N 0 0 442.563 4.849 50 0 IJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cc(C)ccc2C)n1 ZINC000036065886 568945051 /nfs/dbraw/zinc/94/50/51/568945051.db2.gz CFIIWYACMIMCGY-IBGZPJMESA-N 0 0 449.551 4.751 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CCc1nc2cc(Cl)ccc2n(CC(C)C)c1=O ZINC000006670251 568946350 /nfs/dbraw/zinc/94/63/50/568946350.db2.gz WNAMCKFAHCVDMR-UHFFFAOYSA-N 0 0 425.960 4.687 50 0 IJAARN O=C(NC1CC1)c1coc(CN(Cc2ccccc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036082924 568946861 /nfs/dbraw/zinc/94/68/61/568946861.db2.gz JUPNMGRYQMZUFL-UHFFFAOYSA-N 0 0 429.442 4.788 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)c(C)c2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083438 568947022 /nfs/dbraw/zinc/94/70/22/568947022.db2.gz DCEQPBCCMQDFIU-JOCHJYFZSA-N 0 0 442.943 4.939 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036083580 568947216 /nfs/dbraw/zinc/94/72/16/568947216.db2.gz NKTNGMHJPUXFSK-JOCHJYFZSA-N 0 0 440.565 4.618 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083761 568947458 /nfs/dbraw/zinc/94/74/58/568947458.db2.gz XOFGNSWDZYPJOM-JOCHJYFZSA-N 0 0 440.515 4.716 50 0 IJAARN COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000064747431 568949870 /nfs/dbraw/zinc/94/98/70/568949870.db2.gz HEPAMYMHBUKPKM-AWEZNQCLSA-N 0 0 432.889 4.607 50 0 IJAARN Cc1cccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746976 568950203 /nfs/dbraw/zinc/95/02/03/568950203.db2.gz WGBWUFFRAKDOIH-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c(C)c1 ZINC000064746921 568950230 /nfs/dbraw/zinc/95/02/30/568950230.db2.gz NTYJZMRPNYEASK-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)nnn3CCC(=O)Nc2ccccc2)cc1 ZINC000064748010 568950663 /nfs/dbraw/zinc/95/06/63/568950663.db2.gz BYWJPIPGDRPPGE-UHFFFAOYSA-N 0 0 427.508 4.836 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cc(C)ccc4F)CC3=O)c2)cc1 ZINC000064754751 568950969 /nfs/dbraw/zinc/95/09/69/568950969.db2.gz FYMWCMLLMSENNA-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000064754600 568950973 /nfs/dbraw/zinc/95/09/73/568950973.db2.gz NMBOVUXQTDXWJV-SFHVURJKSA-N 0 0 447.922 4.892 50 0 IJAARN OCc1csc(COc2ccc(CN(C(=S)Nc3ccc(F)cc3)C3CC3)cc2)n1 ZINC000036094553 568951171 /nfs/dbraw/zinc/95/11/71/568951171.db2.gz BYDWIXAJWRIUAX-UHFFFAOYSA-N 0 0 443.569 4.715 50 0 IJAARN CCCCN1CCN(C(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)CC1 ZINC000064759539 568952131 /nfs/dbraw/zinc/95/21/31/568952131.db2.gz FDFWEVGQMNQDLC-UHFFFAOYSA-N 0 0 425.602 4.607 50 0 IJAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036105375 568953011 /nfs/dbraw/zinc/95/30/11/568953011.db2.gz RJTQORBWTWOQIG-UHFFFAOYSA-N 0 0 438.593 4.947 50 0 IJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036107192 568954008 /nfs/dbraw/zinc/95/40/08/568954008.db2.gz GULLCUNUFKZSCO-UHFFFAOYSA-N 0 0 440.565 4.636 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c1C ZINC000064775410 568954523 /nfs/dbraw/zinc/95/45/23/568954523.db2.gz GHEHUTMXCNKPEE-UHFFFAOYSA-N 0 0 427.599 4.814 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116905 568955801 /nfs/dbraw/zinc/95/58/01/568955801.db2.gz BZBGSMOUDCXIHW-JOCHJYFZSA-N 0 0 428.598 4.635 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119900 568956944 /nfs/dbraw/zinc/95/69/44/568956944.db2.gz LKYLRVQSDRPQRS-UGKGYDQZSA-N 0 0 442.625 4.844 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@H](C)CC ZINC000036120621 568957384 /nfs/dbraw/zinc/95/73/84/568957384.db2.gz DDEFUOQDYTZKBO-YLJYHZDGSA-N 0 0 446.588 4.677 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)c1 ZINC000064791480 568958860 /nfs/dbraw/zinc/95/88/60/568958860.db2.gz FJTNWRSMVFKNOT-UHFFFAOYSA-N 0 0 435.491 4.799 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c1 ZINC000064801564 568961449 /nfs/dbraw/zinc/96/14/49/568961449.db2.gz CEVJTSSGBSLNNV-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1 ZINC000064802084 568961801 /nfs/dbraw/zinc/96/18/01/568961801.db2.gz MTTPGNKMVGTSIN-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1 ZINC000064802063 568961834 /nfs/dbraw/zinc/96/18/34/568961834.db2.gz MHVPTYKBEYHSSW-UHFFFAOYSA-N 0 0 425.558 4.686 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1cccc(F)c1)C(=O)C(C)(C)C ZINC000006722327 568963013 /nfs/dbraw/zinc/96/30/13/568963013.db2.gz PYOLLKIIJZVGIK-UHFFFAOYSA-N 0 0 425.548 4.815 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1C ZINC000064815753 568963542 /nfs/dbraw/zinc/96/35/42/568963542.db2.gz FXAPVJOJJSCIEV-VWLOTQADSA-N 0 0 448.592 4.706 50 0 IJAARN CCc1ccccc1N1C(=O)c2cc(-c3cccs3)nn2C[C@]1(C)C(=O)NC(C)(C)C ZINC000064815879 568963617 /nfs/dbraw/zinc/96/36/17/568963617.db2.gz WCQIXXKABUMXDR-XMMPIXPASA-N 0 0 436.581 4.508 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817447 568964463 /nfs/dbraw/zinc/96/44/63/568964463.db2.gz HHQWHCOOQCABGF-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817282 568964508 /nfs/dbraw/zinc/96/45/08/568964508.db2.gz HSFWQMNMUIMXGJ-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000036155367 568964737 /nfs/dbraw/zinc/96/47/37/568964737.db2.gz OQYGNZYTOJVAQJ-QFIPXVFZSA-N 0 0 440.977 4.990 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3cccs3)c(=O)c21 ZINC000064817573 568964747 /nfs/dbraw/zinc/96/47/47/568964747.db2.gz ROYFBPVDTRAIGY-UHFFFAOYSA-N 0 0 430.986 4.977 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3nc4cc(C)c(C)cc4nc3C(F)(F)F)CC2)cc1 ZINC000064819130 568966014 /nfs/dbraw/zinc/96/60/14/568966014.db2.gz ZXHGBBZICAKKNN-UHFFFAOYSA-N 0 0 428.458 4.536 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3ccccc3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819581 568966600 /nfs/dbraw/zinc/96/66/00/568966600.db2.gz CJTLWVFDBRDOAX-UHFFFAOYSA-N 0 0 426.520 4.543 50 0 IJAARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Br ZINC000064839964 568969707 /nfs/dbraw/zinc/96/97/07/568969707.db2.gz CJVCUYKYPMZVNI-UHFFFAOYSA-N 0 0 435.709 4.859 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000064847757 568971248 /nfs/dbraw/zinc/97/12/48/568971248.db2.gz OBVHZBPERQUZSV-KRWDZBQOSA-N 0 0 425.529 4.531 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848083 568971360 /nfs/dbraw/zinc/97/13/60/568971360.db2.gz XLLHLUBNZXXHNT-UHFFFAOYSA-N 0 0 448.375 4.890 50 0 biogenic IJAARN Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064848123 568971521 /nfs/dbraw/zinc/97/15/21/568971521.db2.gz OSFQRRHUIYABIJ-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN COCCCN(Cc1c(-c2cccc(C)c2)noc1N1CCCC1)C(=O)c1ccccc1 ZINC000036208238 568973006 /nfs/dbraw/zinc/97/30/06/568973006.db2.gz ZSSINPCFEZCEEP-UHFFFAOYSA-N 0 0 433.552 4.929 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(OC)cc1 ZINC000064869588 568976303 /nfs/dbraw/zinc/97/63/03/568976303.db2.gz LVXMQYIZCSZWFG-FQEVSTJZSA-N 0 0 439.537 4.748 50 0 IJAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869879 568976470 /nfs/dbraw/zinc/97/64/70/568976470.db2.gz ZWBXDLYOBBNLTI-OAHLLOKOSA-N 0 0 439.537 4.748 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)NCc2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000064869756 568976565 /nfs/dbraw/zinc/97/65/65/568976565.db2.gz PDBSDOAIYRWWJN-UHFFFAOYSA-N 0 0 443.956 4.682 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000064872127 568977784 /nfs/dbraw/zinc/97/77/84/568977784.db2.gz CDSQDSUDICGAGC-UHFFFAOYSA-N 0 0 444.578 4.958 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064873092 568978276 /nfs/dbraw/zinc/97/82/76/568978276.db2.gz LZSZTMFCJSGMAO-LJQANCHMSA-N 0 0 432.543 4.637 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CC1CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036246027 568981759 /nfs/dbraw/zinc/98/17/59/568981759.db2.gz PWTZYNIAJBWVSR-UHFFFAOYSA-N 0 0 447.535 4.969 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(F)cc3)c2C(C)C)C1 ZINC000006770914 568981845 /nfs/dbraw/zinc/98/18/45/568981845.db2.gz PLSHKPPTKBINPM-QGZVFWFLSA-N 0 0 429.536 4.674 50 0 IJAARN COc1cc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc(OC)c1 ZINC000036247375 568982317 /nfs/dbraw/zinc/98/23/17/568982317.db2.gz RJMCCPUQJQQCLF-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Br)cc2)c1 ZINC000036248114 568982552 /nfs/dbraw/zinc/98/25/52/568982552.db2.gz BNZAREWVLQDIME-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1cc(CN(c2cccc(F)c2)S(=O)(=O)c2cc(F)ccc2C)cc(OC)c1 ZINC000036248327 568982565 /nfs/dbraw/zinc/98/25/65/568982565.db2.gz CTIRQGOLPPHOSG-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1F)N(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000036248258 568982613 /nfs/dbraw/zinc/98/26/13/568982613.db2.gz FFFKXAQRWVSXIT-UHFFFAOYSA-N 0 0 437.851 4.742 50 0 IJAARN COc1ccc(N(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248472 568982718 /nfs/dbraw/zinc/98/27/18/568982718.db2.gz BOMXSUKEPUFRPF-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCCOC)C(=O)C1CCCC1 ZINC000036249004 568983021 /nfs/dbraw/zinc/98/30/21/568983021.db2.gz QHCOVVGVVQQHFH-UHFFFAOYSA-N 0 0 431.552 4.882 50 0 IJAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036249251 568983199 /nfs/dbraw/zinc/98/31/99/568983199.db2.gz VFZPXWYTORFHID-UHFFFAOYSA-N 0 0 441.478 4.509 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929091 568987475 /nfs/dbraw/zinc/98/74/75/568987475.db2.gz IGOPYVMABVDTJV-LJQANCHMSA-N 0 0 436.556 4.537 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929103 568987501 /nfs/dbraw/zinc/98/75/01/568987501.db2.gz GXLHEHGHSWNPAS-UGKGYDQZSA-N 0 0 432.543 4.637 50 0 IJAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)Nc1cccc(Cl)c1 ZINC000064944067 568993214 /nfs/dbraw/zinc/99/32/14/568993214.db2.gz VYXHNIAVZVAYHU-UHFFFAOYSA-N 0 0 433.990 4.851 50 0 IJAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1 ZINC000064944188 568993283 /nfs/dbraw/zinc/99/32/83/568993283.db2.gz BGFJMGJWTSCZMD-UHFFFAOYSA-N 0 0 427.599 4.760 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(NCc3ccccc3)nn2)c(Br)c1 ZINC000064944781 568993370 /nfs/dbraw/zinc/99/33/70/568993370.db2.gz IWEOCDYXMIJPSJ-UHFFFAOYSA-N 0 0 443.370 4.890 50 0 IJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(C(C)=O)cc3)c2s1 ZINC000064944458 568993406 /nfs/dbraw/zinc/99/34/06/568993406.db2.gz KJPLWCCUDDFGBR-UHFFFAOYSA-N 0 0 443.598 4.646 50 0 IJAARN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304839 568994782 /nfs/dbraw/zinc/99/47/82/568994782.db2.gz FQYQMKPIRVBBMK-HSZRJFAPSA-N 0 0 435.568 4.643 50 0 IJAARN CC(C)c1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccnc3)no2)cc1 ZINC000064947457 568995106 /nfs/dbraw/zinc/99/51/06/568995106.db2.gz VKNQQNHQASAKQO-UHFFFAOYSA-N 0 0 440.550 4.809 50 0 IJAARN CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310540 568996621 /nfs/dbraw/zinc/99/66/21/568996621.db2.gz MGMMLSPSSCTJSE-GBXCKJPGSA-N 0 0 442.648 4.681 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314431 568998494 /nfs/dbraw/zinc/99/84/94/568998494.db2.gz CYPHXXQXCIHZAB-IBGZPJMESA-N 0 0 427.850 4.945 50 0 IJAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@@H](C)c4ccc(OC)c(OC)c4)cc32)c1 ZINC000064955754 568998703 /nfs/dbraw/zinc/99/87/03/568998703.db2.gz QPSLYECXTRGEOQ-KRWDZBQOSA-N 0 0 445.519 4.601 50 0 IJAARN O=C(NCc1cccc(Br)c1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955897 568998781 /nfs/dbraw/zinc/99/87/81/568998781.db2.gz CCBXFXWUKPFHPH-UHFFFAOYSA-N 0 0 438.300 4.916 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(NCc2ccccc2F)n1 ZINC000064960256 569000189 /nfs/dbraw/zinc/00/01/89/569000189.db2.gz WECNIOIWQWGHBQ-UHFFFAOYSA-N 0 0 426.835 4.866 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(C)ccc4C)c3C)c(C)o2)cc1 ZINC000064967504 569001165 /nfs/dbraw/zinc/00/11/65/569001165.db2.gz ZBRILTCKGLITSK-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cc(F)ccc4C)c3=O)n2)cc1 ZINC000064971801 569076869 /nfs/dbraw/zinc/07/68/69/569076869.db2.gz ILRISTKZVZOZFU-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN O=C(CCc1ccccc1)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000064976695 569077161 /nfs/dbraw/zinc/07/71/61/569077161.db2.gz YHCDDOGHCZCSAN-UHFFFAOYSA-N 0 0 439.924 4.560 50 0 IJAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)CCc3ccccc3)cc(=O)n12 ZINC000064976813 569077278 /nfs/dbraw/zinc/07/72/78/569077278.db2.gz WHCLQCLGITZQSQ-UHFFFAOYSA-N 0 0 433.533 4.523 50 0 IJAARN O=C(CSCc1ccc(F)cc1)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000064978206 569077747 /nfs/dbraw/zinc/07/77/47/569077747.db2.gz HXPFBKOVGDBLPD-UHFFFAOYSA-N 0 0 434.536 4.578 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN2CCc3ccccc3C2)[C@@H](c2ccc(C)cc2)C1 ZINC000036343660 569079767 /nfs/dbraw/zinc/07/97/67/569079767.db2.gz GGSNVJHHEJLVNE-AREMUKBSSA-N 0 0 439.559 4.740 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3C)C2)cc1 ZINC000036344913 569080091 /nfs/dbraw/zinc/08/00/91/569080091.db2.gz PILJKEFHPGIYFY-MHZLTWQESA-N 0 0 439.559 4.740 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345183 569080691 /nfs/dbraw/zinc/08/06/91/569080691.db2.gz YBJRLEILFILBRT-VWLOTQADSA-N 0 0 431.511 4.644 50 0 IJAARN CC[C@H](NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987077 569082576 /nfs/dbraw/zinc/08/25/76/569082576.db2.gz PKPSLKSAYSCBRN-NRFANRHFSA-N 0 0 434.536 4.909 50 0 IJAARN CC(C)[C@@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987052 569082588 /nfs/dbraw/zinc/08/25/88/569082588.db2.gz OIUJAVHRALERIV-AREMUKBSSA-N 0 0 446.547 4.909 50 0 IJAARN COc1ccccc1-c1nnc(-c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)o1 ZINC000064987956 569082785 /nfs/dbraw/zinc/08/27/85/569082785.db2.gz AJQHJDITSHCHIQ-UHFFFAOYSA-N 0 0 447.944 4.630 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988998 569082967 /nfs/dbraw/zinc/08/29/67/569082967.db2.gz LKZJXKJLHIVPBH-UHFFFAOYSA-N 0 0 447.366 4.928 50 0 IJAARN C[C@@H]1Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989893 569083153 /nfs/dbraw/zinc/08/31/53/569083153.db2.gz KVFXWKCWWXWALB-QGZVFWFLSA-N 0 0 434.923 4.627 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(Cl)c4)ccc3C[C@H]2C)cc1 ZINC000064990139 569083163 /nfs/dbraw/zinc/08/31/63/569083163.db2.gz UMFMRQYJODQLPG-MRXNPFEDSA-N 0 0 434.923 4.870 50 0 IJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)[C@H](C)C2 ZINC000064990217 569083228 /nfs/dbraw/zinc/08/32/28/569083228.db2.gz JTXRKZOWGGUYQP-GOSISDBHSA-N 0 0 444.531 4.615 50 0 IJAARN CCOc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000064990857 569083442 /nfs/dbraw/zinc/08/34/42/569083442.db2.gz RCORGBJUTJJUCA-UHFFFAOYSA-N 0 0 429.520 4.918 50 0 IJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358344 569085019 /nfs/dbraw/zinc/08/50/19/569085019.db2.gz LITUBYQDSPNZRJ-XMMPIXPASA-N 0 0 443.522 4.984 50 0 IJAARN CCc1ccccc1N(C)C(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000654 569085980 /nfs/dbraw/zinc/08/59/80/569085980.db2.gz CJSMZWMCHHCJFR-UHFFFAOYSA-N 0 0 428.532 4.832 50 0 IJAARN CC[C@H](C)NC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006157 569087297 /nfs/dbraw/zinc/08/72/97/569087297.db2.gz HHDRVBWWRGBFEX-SFHVURJKSA-N 0 0 433.552 4.960 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccccc3F)c2oc1C(=O)N1CCCCC1 ZINC000065010610 569088260 /nfs/dbraw/zinc/08/82/60/569088260.db2.gz DZYAAXVTBCHFRF-UHFFFAOYSA-N 0 0 444.528 4.924 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NCc3cccs3)c2oc1C(=O)N1CCCCC1 ZINC000065010682 569088337 /nfs/dbraw/zinc/08/83/37/569088337.db2.gz UZTJLNDSNBWUFM-UHFFFAOYSA-N 0 0 446.594 4.524 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065011021 569088448 /nfs/dbraw/zinc/08/84/48/569088448.db2.gz MYNBTDZMHSTXJY-UHFFFAOYSA-N 0 0 432.586 4.549 50 0 IJAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023666 569089321 /nfs/dbraw/zinc/08/93/21/569089321.db2.gz GXZFBWNFGYOLBY-QGZVFWFLSA-N 0 0 437.341 4.761 50 0 IJAARN O=C(NC1CCCCC1)c1cc(COc2ccc(NC(=O)c3ccccc3F)cc2)on1 ZINC000065027122 569090136 /nfs/dbraw/zinc/09/01/36/569090136.db2.gz ZRFOXYCJJCPSHM-UHFFFAOYSA-N 0 0 437.471 4.708 50 0 IJAARN NC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000065034005 569091752 /nfs/dbraw/zinc/09/17/52/569091752.db2.gz AERTXGQAJXVFBZ-UHFFFAOYSA-N 0 0 431.879 4.672 50 0 IJAARN O=C(N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc2ncccc2c1 ZINC000169753459 569093571 /nfs/dbraw/zinc/09/35/71/569093571.db2.gz XSGMEPCHQPPFQD-HXUWFJFHSA-N 0 0 431.927 4.677 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1OCC ZINC000169754588 569093875 /nfs/dbraw/zinc/09/38/75/569093875.db2.gz ZYYMNHGYZSEUAU-FQEVSTJZSA-N 0 0 435.524 4.749 50 0 IJAARN CC(C)c1cccc(NC(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)c1 ZINC000169760257 569094589 /nfs/dbraw/zinc/09/45/89/569094589.db2.gz LSTOELMJSKPFFK-UHFFFAOYSA-N 0 0 440.547 4.799 50 0 IJAARN CCCc1nn(-c2cccc(C)c2)c(CCC)c1C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000006872754 569094764 /nfs/dbraw/zinc/09/47/64/569094764.db2.gz WNKQUHKUTAVMQY-LJQANCHMSA-N 0 0 425.573 4.501 50 0 IJAARN Cc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056714 569094908 /nfs/dbraw/zinc/09/49/08/569094908.db2.gz SCIIQLAXWZNLTJ-LLGFUMIMSA-N 0 0 447.583 4.535 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000065058720 569095515 /nfs/dbraw/zinc/09/55/15/569095515.db2.gz NMWJTIHLQSVADE-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Cl)c3C)C2)c1 ZINC000065058838 569095634 /nfs/dbraw/zinc/09/56/34/569095634.db2.gz QHOPLBHNLOGNAL-QHCPKHFHSA-N 0 0 429.948 4.607 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000065062199 569097096 /nfs/dbraw/zinc/09/70/96/569097096.db2.gz CAGAVVPAUYQKDX-OAHLLOKOSA-N 0 0 441.018 4.694 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000036393756 569098517 /nfs/dbraw/zinc/09/85/17/569098517.db2.gz YAJBWTDBXLOXGX-IEBWSBKVSA-N 0 0 426.582 4.758 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)c1 ZINC000065079363 569100874 /nfs/dbraw/zinc/10/08/74/569100874.db2.gz UZEJZUJIMPYVNK-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN CCOc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)cc1OC ZINC000065079720 569100957 /nfs/dbraw/zinc/10/09/57/569100957.db2.gz ZQUZSRWKPQLHJA-UHFFFAOYSA-N 0 0 449.576 4.946 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc2s1 ZINC000036398452 569101309 /nfs/dbraw/zinc/10/13/09/569101309.db2.gz MHTXPCOVRFQMLJ-UHFFFAOYSA-N 0 0 439.468 4.838 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2 ZINC000065082047 569102072 /nfs/dbraw/zinc/10/20/72/569102072.db2.gz NTUUHQONORJIEW-JOCHJYFZSA-N 0 0 428.532 4.547 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000065085473 569102939 /nfs/dbraw/zinc/10/29/39/569102939.db2.gz FVVNHUWBLXXYJC-UHFFFAOYSA-N 0 0 449.937 4.663 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc([C@@H](O)c2ccsc2)s1 ZINC000207966514 569104124 /nfs/dbraw/zinc/10/41/24/569104124.db2.gz BJCBESKRGVOUSQ-SFHVURJKSA-N 0 0 428.362 4.893 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098121 569104483 /nfs/dbraw/zinc/10/44/83/569104483.db2.gz QCEJEXLIKKIHNP-ZDUSSCGKSA-N 0 0 441.509 4.744 50 0 IJAARN CC(=O)c1cccc(NC(=O)C2CCN(c3nccnc3Sc3ccccc3)CC2)c1 ZINC000065102636 569106071 /nfs/dbraw/zinc/10/60/71/569106071.db2.gz IGXHCQNYIYXDEE-UHFFFAOYSA-N 0 0 432.549 4.686 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000065102589 569106114 /nfs/dbraw/zinc/10/61/14/569106114.db2.gz FLPGOQHLBAXRQM-UHFFFAOYSA-N 0 0 432.593 4.777 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102663 569106119 /nfs/dbraw/zinc/10/61/19/569106119.db2.gz IMQWCJSIOPKMIW-HXUWFJFHSA-N 0 0 446.620 4.982 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000065115747 569106915 /nfs/dbraw/zinc/10/69/15/569106915.db2.gz CFPIYLOTBIORPP-UHFFFAOYSA-N 0 0 433.917 4.679 50 0 IJAARN COc1ccccc1-c1nc([C@H]2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)no1 ZINC000065149506 569110954 /nfs/dbraw/zinc/11/09/54/569110954.db2.gz OKMAEAGNJHPRPA-HNNXBMFYSA-N 0 0 447.413 4.664 50 0 IJAARN COc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc(OC)c1 ZINC000065154063 569112236 /nfs/dbraw/zinc/11/22/36/569112236.db2.gz FAOHZJYEKQKATI-UHFFFAOYSA-N 0 0 430.439 4.614 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165135 569112928 /nfs/dbraw/zinc/11/29/28/569112928.db2.gz ISLNDVGIDUJZGL-UHFFFAOYSA-N 0 0 447.333 4.959 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(N3CCSCC3)nc2)n1 ZINC000065165661 569113131 /nfs/dbraw/zinc/11/31/31/569113131.db2.gz AMCNNDNBCVSZAE-UHFFFAOYSA-N 0 0 446.985 4.673 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCCN(Cc3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000065172357 569113395 /nfs/dbraw/zinc/11/33/95/569113395.db2.gz WEXVENSFBYGSAN-UHFFFAOYSA-N 0 0 436.531 4.521 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1)N1CCCCC1 ZINC000065179758 569113499 /nfs/dbraw/zinc/11/34/99/569113499.db2.gz RRJDCEUUBVJCRB-UHFFFAOYSA-N 0 0 442.506 4.522 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1 ZINC000065179581 569113523 /nfs/dbraw/zinc/11/35/23/569113523.db2.gz MFRJBYNUIXYZHO-INIZCTEOSA-N 0 0 432.923 4.549 50 0 IJAARN CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC000065180275 569113684 /nfs/dbraw/zinc/11/36/84/569113684.db2.gz BTZBRVQNQUPMLU-UHFFFAOYSA-N 0 0 432.923 4.549 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3cc(C)cc(C)c3)cccn12 ZINC000065185246 569114206 /nfs/dbraw/zinc/11/42/06/569114206.db2.gz DDEQOZPAGRFSRQ-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCC1 ZINC000065178698 569114548 /nfs/dbraw/zinc/11/45/48/569114548.db2.gz PJLNYFNGXKJKEH-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN COc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1 ZINC000065201459 569116224 /nfs/dbraw/zinc/11/62/24/569116224.db2.gz MDBWVBYLUULNKX-UHFFFAOYSA-N 0 0 440.952 4.539 50 0 IJAARN O=C(Nc1ccc(N2CCCC2)c(F)c1)c1nc(Br)ccc1Br ZINC000170611083 569145161 /nfs/dbraw/zinc/14/51/61/569145161.db2.gz GZMNONAQLDMPMX-UHFFFAOYSA-N 0 0 443.114 4.598 50 0 IJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000065219314 569117177 /nfs/dbraw/zinc/11/71/77/569117177.db2.gz NQPZEZITMUOFFG-UHFFFAOYSA-N 0 0 439.468 4.803 50 0 IJAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(CC(C)C)cc2)c(C)n1 ZINC000036615255 569122458 /nfs/dbraw/zinc/12/24/58/569122458.db2.gz ZBYPCEQPENXGHU-UHFFFAOYSA-N 0 0 443.588 4.940 50 0 IJAARN O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615435 569122497 /nfs/dbraw/zinc/12/24/97/569122497.db2.gz JOHPJOWTMUZHLG-KRWDZBQOSA-N 0 0 433.270 4.509 50 0 IJAARN Cc1nn([C@@H](C)CCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(C)c1Cl ZINC000036612488 569123675 /nfs/dbraw/zinc/12/36/75/569123675.db2.gz SOWKNLSVPOBMSQ-JTQLQIEISA-N 0 0 441.841 4.603 50 0 IJAARN CCn1nc(C)c(CN(C)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)c1C ZINC000036613801 569123984 /nfs/dbraw/zinc/12/39/84/569123984.db2.gz WROQEZMKZGINFQ-UHFFFAOYSA-N 0 0 431.487 4.568 50 0 IJAARN COc1ccc(-c2cc(C(F)F)nc(NCc3cnn(-c4ccccc4)c3)n2)cc1OC ZINC000036618638 569124432 /nfs/dbraw/zinc/12/44/32/569124432.db2.gz AAORTPOZKQUMHG-UHFFFAOYSA-N 0 0 437.450 4.896 50 0 IJAARN CCN1c2ccc(NC(=O)CCc3cccc(OC)c3)cc2Sc2ncccc2C1=O ZINC000065258506 569124503 /nfs/dbraw/zinc/12/45/03/569124503.db2.gz PJOOWGITTSAPGG-UHFFFAOYSA-N 0 0 433.533 4.793 50 0 IJAARN COc1ccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)c4cc(OC)ccc4OC)c32)cc1 ZINC000036619271 569124660 /nfs/dbraw/zinc/12/46/60/569124660.db2.gz PXPOOGYXBSJYNR-HNNXBMFYSA-N 0 0 447.491 4.715 50 0 IJAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CSc1nc2ccccc2o1 ZINC000013129092 569125297 /nfs/dbraw/zinc/12/52/97/569125297.db2.gz MLYKUNGYASBRLC-UHFFFAOYSA-N 0 0 441.534 4.962 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013134554 569125509 /nfs/dbraw/zinc/12/55/09/569125509.db2.gz AEMIMJHTZXCPPJ-NRFANRHFSA-N 0 0 427.331 4.651 50 0 IJAARN CCOc1ccccc1C1=N/C(=C\c2cc(Br)c(OCC)c(OC)c2)C(=O)O1 ZINC000013135302 569125674 /nfs/dbraw/zinc/12/56/74/569125674.db2.gz BZSPQIVPSMFAIM-WJDWOHSUSA-N 0 0 446.297 4.600 50 0 IJAARN O=C(OCc1csc(-c2ccsc2)n1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000036661775 569130448 /nfs/dbraw/zinc/13/04/48/569130448.db2.gz IPNMWCJWTRAURE-UHFFFAOYSA-N 0 0 433.576 4.702 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3cccc(C)c3)CC2)cc1 ZINC000065297253 569131704 /nfs/dbraw/zinc/13/17/04/569131704.db2.gz MYSCKVYSYRHKCE-UHFFFAOYSA-N 0 0 445.592 4.624 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)C4CCCCC4)CC3)sc12 ZINC000065300389 569132254 /nfs/dbraw/zinc/13/22/54/569132254.db2.gz QWFFBCFNXQTOJH-UHFFFAOYSA-N 0 0 437.613 4.718 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3ccc(SCc4ccccc4)nn3)CC2)cc1 ZINC000065314889 569135706 /nfs/dbraw/zinc/13/57/06/569135706.db2.gz VTFMLDOMYPBOGO-UHFFFAOYSA-N 0 0 432.593 4.610 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000238935414 569138054 /nfs/dbraw/zinc/13/80/54/569138054.db2.gz VLLTZKTUGMYWLI-GOSISDBHSA-N 0 0 428.362 4.548 50 0 IJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000065320816 569136237 /nfs/dbraw/zinc/13/62/37/569136237.db2.gz NQDNYKDLTFSYJS-FQEVSTJZSA-N 0 0 425.554 4.868 50 0 IJAARN O=C(Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn21)c1c(F)cccc1F ZINC000065320948 569136344 /nfs/dbraw/zinc/13/63/44/569136344.db2.gz QVKJDAIZZJAGQE-UHFFFAOYSA-N 0 0 439.491 4.979 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000238956285 569138159 /nfs/dbraw/zinc/13/81/59/569138159.db2.gz XZLJOAYOMFRBCI-HNNXBMFYSA-N 0 0 431.717 4.944 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000238956286 569138180 /nfs/dbraw/zinc/13/81/80/569138180.db2.gz XZLJOAYOMFRBCI-OAHLLOKOSA-N 0 0 431.717 4.944 50 0 IJAARN CCOC(=O)C1=C(C)N(C)[C@@H]2C=CC(OC(=O)C(c3ccccc3)c3ccccc3)=C[C@@H]12 ZINC000170591624 569140813 /nfs/dbraw/zinc/14/08/13/569140813.db2.gz IUPRIJXDPRTPLU-DHIUTWEWSA-N 0 0 429.516 4.583 50 0 IJAARN Cc1cccn2cc(COc3ccc(CNc4ccc(C(=O)NC(C)C)cc4)cc3)nc12 ZINC000170593514 569141323 /nfs/dbraw/zinc/14/13/23/569141323.db2.gz YXBVNSKFACQLPC-UHFFFAOYSA-N 0 0 428.536 4.972 50 0 IJAARN Cc1c(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cccc1C(F)(F)F ZINC000170610349 569144918 /nfs/dbraw/zinc/14/49/18/569144918.db2.gz XSEBKHOZVJDHSR-IAGOWNOFSA-N 0 0 443.425 4.544 50 0 IJAARN C[C@@H]1CCCCN1C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037277041 569145390 /nfs/dbraw/zinc/14/53/90/569145390.db2.gz HZMVWFKUJXEIPF-GOSISDBHSA-N 0 0 439.987 4.753 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000037277413 569145431 /nfs/dbraw/zinc/14/54/31/569145431.db2.gz DXTMYTKOGQCDKB-UHFFFAOYSA-N 0 0 441.575 4.748 50 0 IJAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NC[C@H]2CCCO2)cc1 ZINC000037279371 569145571 /nfs/dbraw/zinc/14/55/71/569145571.db2.gz YKNXKVLEWCIYMW-RUZDIDTESA-N 0 0 434.580 4.556 50 0 IJAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000037279369 569145574 /nfs/dbraw/zinc/14/55/74/569145574.db2.gz YKNXKVLEWCIYMW-VWLOTQADSA-N 0 0 434.580 4.556 50 0 IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037285158 569145954 /nfs/dbraw/zinc/14/59/54/569145954.db2.gz SBNSQSRKHKXIBR-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NC1CC1 ZINC000037280730 569146055 /nfs/dbraw/zinc/14/60/55/569146055.db2.gz AWBVOBOLMLABHN-RSXGOPAZSA-N 0 0 434.580 4.643 50 0 IJAARN O[C@@H]1c2ccccc2OC[C@@H]1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000170612995 569146165 /nfs/dbraw/zinc/14/61/65/569146165.db2.gz XEBOPZNSBCMXQV-JTHBVZDNSA-N 0 0 449.507 4.572 50 0 IJAARN Cc1ccc([C@@H]2c3ccccc3NC(=O)CN2C(=O)c2cccc(Br)c2)cc1 ZINC000170612679 569146173 /nfs/dbraw/zinc/14/61/73/569146173.db2.gz URLIWVAHLRCVSV-JOCHJYFZSA-N 0 0 435.321 4.941 50 0 IJAARN S=C(NCCc1ccccc1)NN=c1nc(-c2ccccc2)c2ccc(Cl)cc2[nH]1 ZINC000170620059 569147509 /nfs/dbraw/zinc/14/75/09/569147509.db2.gz QGTIKLPEPJWUIB-UHFFFAOYSA-N 0 0 433.968 4.984 50 0 IJAARN CC(C)(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)c4ccccc4[C@H]23)cc1 ZINC000170621851 569147773 /nfs/dbraw/zinc/14/77/73/569147773.db2.gz OWHVNGPMCLATHU-RUZDIDTESA-N 0 0 434.499 4.791 50 0 IJAARN O=C(N[C@@H]1CCCOc2ccccc21)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000170627041 569148755 /nfs/dbraw/zinc/14/87/55/569148755.db2.gz NVEHHIYAOZWUTN-LJQANCHMSA-N 0 0 432.442 4.622 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000009869078 569149351 /nfs/dbraw/zinc/14/93/51/569149351.db2.gz QKDXBLAJYKIADG-HNNXBMFYSA-N 0 0 433.512 4.584 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000009908883 569150530 /nfs/dbraw/zinc/15/05/30/569150530.db2.gz USXHSTCKJOSQSA-UHFFFAOYSA-N 0 0 447.482 4.847 50 0 IJAARN O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000071285704 569150873 /nfs/dbraw/zinc/15/08/73/569150873.db2.gz BYXLGWHAKCYKKO-OAQYLSRUSA-N 0 0 448.548 4.952 50 0 IJAARN COc1ccc2cc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)c(Cl)nc2c1 ZINC000009955805 569151243 /nfs/dbraw/zinc/15/12/43/569151243.db2.gz SWDCVXLOMZRKAL-UHFFFAOYSA-N 0 0 443.981 4.986 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1C ZINC000010060046 569152457 /nfs/dbraw/zinc/15/24/57/569152457.db2.gz HOHWVZYPCAQBMS-UHFFFAOYSA-N 0 0 448.903 4.849 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060449 569152546 /nfs/dbraw/zinc/15/25/46/569152546.db2.gz KMIOXJIUOJPNRP-GOTSBHOMSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1ccc(OCc2nc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cs2)cc1 ZINC000010460889 569154785 /nfs/dbraw/zinc/15/47/85/569154785.db2.gz QJYOFQLDAIZDEV-UHFFFAOYSA-N 0 0 449.576 4.587 50 0 IJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccn4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321885 569155023 /nfs/dbraw/zinc/15/50/23/569155023.db2.gz NMEJJYUVQWCWNA-CQSZACIVSA-N 0 0 442.544 4.834 50 0 IJAARN C[C@H]1CCc2c(sc(NC(=O)c3cc(-c4cccnc4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321891 569155079 /nfs/dbraw/zinc/15/50/79/569155079.db2.gz OXKKFMLILYWBHQ-AWEZNQCLSA-N 0 0 442.544 4.834 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1cc(Cl)ccc1Cl ZINC000013611254 569156391 /nfs/dbraw/zinc/15/63/91/569156391.db2.gz HZZYOODCEYZYLX-UHFFFAOYSA-N 0 0 444.322 4.931 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000014609918 569159475 /nfs/dbraw/zinc/15/94/75/569159475.db2.gz VEYSTZLQGFKTSO-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)c(OC)c1 ZINC000014609576 569159482 /nfs/dbraw/zinc/15/94/82/569159482.db2.gz ZLZLOVUIASIUIL-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609894 569159500 /nfs/dbraw/zinc/15/95/00/569159500.db2.gz NQRLSEZCUZFKMP-UHFFFAOYSA-N 0 0 444.922 4.795 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccccc4C)n3N)cc2)cc1 ZINC000089637070 569160241 /nfs/dbraw/zinc/16/02/41/569160241.db2.gz RNUMUAVKZMRPEF-UHFFFAOYSA-N 0 0 445.548 4.799 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c(C)c1 ZINC000016839996 569163134 /nfs/dbraw/zinc/16/31/34/569163134.db2.gz ROUALSBONGSBDK-UHFFFAOYSA-N 0 0 442.519 4.746 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2Cl)no1 ZINC000016845987 569163888 /nfs/dbraw/zinc/16/38/88/569163888.db2.gz VDQZFDHXHCIXQD-UHFFFAOYSA-N 0 0 431.926 4.944 50 0 IJAARN CCOc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)cc1 ZINC000016845821 569163955 /nfs/dbraw/zinc/16/39/55/569163955.db2.gz HZYJPXXOGHOPGO-UHFFFAOYSA-N 0 0 426.523 4.534 50 0 IJAARN COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000016942936 569166802 /nfs/dbraw/zinc/16/68/02/569166802.db2.gz ITCNYKNQDJUFSB-UHFFFAOYSA-N 0 0 426.929 4.701 50 0 IJAARN COc1ccc2cc([C@H]3CC(c4ccc(OC)cc4OC)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089930403 569167912 /nfs/dbraw/zinc/16/79/12/569167912.db2.gz ACSKMDQDMHLZRF-OAQYLSRUSA-N 0 0 439.899 4.612 50 0 IJAARN CC[C@@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000089948609 569168578 /nfs/dbraw/zinc/16/85/78/569168578.db2.gz QOLZEBCLOGXWPJ-XLIONFOSSA-N 0 0 441.597 4.998 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 ZINC000089969085 569169353 /nfs/dbraw/zinc/16/93/53/569169353.db2.gz DFQULYUERXCYNL-INIZCTEOSA-N 0 0 439.581 4.576 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1C ZINC000089984771 569169956 /nfs/dbraw/zinc/16/99/56/569169956.db2.gz PVOAMKJBTXVQKR-UHFFFAOYSA-N 0 0 430.555 4.687 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356050 569171284 /nfs/dbraw/zinc/17/12/84/569171284.db2.gz GLPIBYFKACLKTF-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)c4cccc(Cl)c4)[C@@H](C)C3)ncn2)c1 ZINC000037356237 569171959 /nfs/dbraw/zinc/17/19/59/569171959.db2.gz CPSGTHFCSOWVFZ-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037356407 569172122 /nfs/dbraw/zinc/17/21/22/569172122.db2.gz RKZWFCAKEXOUCB-CQSZACIVSA-N 0 0 444.869 4.551 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)/C=C/c4ccccc4)[C@@H](C)C3)ncn2)c1 ZINC000037356359 569172172 /nfs/dbraw/zinc/17/21/72/569172172.db2.gz VWGUQDGSJCBJRZ-JARZOMNASA-N 0 0 448.954 4.981 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356683 569172605 /nfs/dbraw/zinc/17/26/05/569172605.db2.gz OSPYHSKRQHMMFI-MRXNPFEDSA-N 0 0 430.499 4.555 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)cc1 ZINC000017113734 569174176 /nfs/dbraw/zinc/17/41/76/569174176.db2.gz NPSCBDNDWJWCMH-UHFFFAOYSA-N 0 0 448.548 4.712 50 0 IJAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1cccc(Br)c1 ZINC000017149868 569174891 /nfs/dbraw/zinc/17/48/91/569174891.db2.gz VMIZPJXORAEVDX-UHFFFAOYSA-N 0 0 437.363 4.541 50 0 IJAARN O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000170634471 569175107 /nfs/dbraw/zinc/17/51/07/569175107.db2.gz KOEGAQISYQFUGA-OAHLLOKOSA-N 0 0 434.389 4.941 50 0 IJAARN O=S(=O)(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)CCCC2 ZINC000017156830 569175144 /nfs/dbraw/zinc/17/51/44/569175144.db2.gz ISVWOTDFQGPNEY-UHFFFAOYSA-N 0 0 432.998 4.863 50 0 IJAARN O=C(NC1(c2cccc(F)c2)CC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000170635305 569176136 /nfs/dbraw/zinc/17/61/36/569176136.db2.gz GXIXGRQNRSLUCO-UHFFFAOYSA-N 0 0 441.856 4.915 50 0 IJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 ZINC000001061588 569176553 /nfs/dbraw/zinc/17/65/53/569176553.db2.gz XGJBUXUFPXSZSH-UHFFFAOYSA-N 0 0 427.715 4.900 50 0 IJAARN C[C@@H]1CN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C[C@@H](c2ccccc2)O1 ZINC000170638258 569178557 /nfs/dbraw/zinc/17/85/57/569178557.db2.gz IOALYDHLWDOGPW-QRWLVFNGSA-N 0 0 430.430 4.885 50 0 IJAARN CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002091764 569178634 /nfs/dbraw/zinc/17/86/34/569178634.db2.gz JAXYCCAROQZPCI-HXUWFJFHSA-N 0 0 437.492 4.800 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NC(=O)OCc3ccccc3)c12 ZINC000002091940 569178832 /nfs/dbraw/zinc/17/88/32/569178832.db2.gz SDHASOISXVTUKX-IBGZPJMESA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 ZINC000002093213 569178981 /nfs/dbraw/zinc/17/89/81/569178981.db2.gz HJFXVQSNEQUSPX-UHFFFAOYSA-N 0 0 433.460 4.904 50 0 biogenic IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)CCNC(=O)OCc3ccccc3)ccc12 ZINC000002094097 569179094 /nfs/dbraw/zinc/17/90/94/569179094.db2.gz FWEWSJCUHUNSMM-UHFFFAOYSA-N 0 0 437.492 4.666 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1OC ZINC000002102395 569179900 /nfs/dbraw/zinc/17/99/00/569179900.db2.gz BZVZHZILSHERFY-XMMPIXPASA-N 0 0 441.483 4.598 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002107723 569181283 /nfs/dbraw/zinc/18/12/83/569181283.db2.gz DOXHEFQFXXKRCK-DEOSSOPVSA-N 0 0 441.483 4.604 50 0 biogenic IJAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)C1=O ZINC000002112711 569182138 /nfs/dbraw/zinc/18/21/38/569182138.db2.gz JQJGNHQLNMHENL-OZXSUGGESA-N 0 0 429.564 4.742 50 0 biogenic IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000207999150 569183794 /nfs/dbraw/zinc/18/37/94/569183794.db2.gz OGIGCHAFGJURRT-QHCPKHFHSA-N 0 0 439.515 4.884 50 0 IJAARN C[S@@](=O)Cc1cccc(C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)c1 ZINC000252467610 569184721 /nfs/dbraw/zinc/18/47/21/569184721.db2.gz VNGJAPKXPVWBBB-HHHXNRCGSA-N 0 0 439.389 4.524 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000002148693 569187089 /nfs/dbraw/zinc/18/70/89/569187089.db2.gz UNZSZOBGCCIVEG-SFHVURJKSA-N 0 0 431.529 4.899 50 0 biogenic IJAARN Cc1c(OC(=O)CNC(=O)OCc2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002148155 569187100 /nfs/dbraw/zinc/18/71/00/569187100.db2.gz YELOOSQQRJCANG-UHFFFAOYSA-N 0 0 443.455 4.600 50 0 biogenic IJAARN Cc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 ZINC000002150298 569187311 /nfs/dbraw/zinc/18/73/11/569187311.db2.gz BZZOSFQOBCYGJB-NRFANRHFSA-N 0 0 437.492 4.890 50 0 biogenic IJAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(c2ccccc2)CCOCC1 ZINC000252506959 569188194 /nfs/dbraw/zinc/18/81/94/569188194.db2.gz WDRGCVFTBWWAKA-XMMPIXPASA-N 0 0 425.532 4.711 50 0 IJAARN COc1cc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)ccc1OCCC(C)C ZINC000002172497 569190339 /nfs/dbraw/zinc/19/03/39/569190339.db2.gz JWIQVHXCPNSVRJ-UHFFFAOYSA-N 0 0 446.547 4.979 50 0 IJAARN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1 ZINC000037384885 569192270 /nfs/dbraw/zinc/19/22/70/569192270.db2.gz GBSFNQRCHFMEAI-UHFFFAOYSA-N 0 0 445.479 4.604 50 0 IJAARN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21)NCc1ccccn1 ZINC000037397384 569193307 /nfs/dbraw/zinc/19/33/07/569193307.db2.gz XCRIZCCTWFEZLI-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN COCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440074 569196469 /nfs/dbraw/zinc/19/64/69/569196469.db2.gz OEPFTPHFTRPUSU-INIZCTEOSA-N 0 0 440.849 4.527 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(F)c3)C(=O)CC(C)(C)C)C2)cc1OC ZINC000037440265 569196633 /nfs/dbraw/zinc/19/66/33/569196633.db2.gz ZATDGAKPXSMULG-FQEVSTJZSA-N 0 0 442.531 4.801 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)C(C)C)C2)cc1OC ZINC000037440257 569196658 /nfs/dbraw/zinc/19/66/58/569196658.db2.gz QEOZPJGXQRSMNK-LJQANCHMSA-N 0 0 430.932 4.535 50 0 IJAARN C[C@@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037520929 569198297 /nfs/dbraw/zinc/19/82/97/569198297.db2.gz YQESHQZLZQWOBC-LLVKDONJSA-N 0 0 442.140 4.633 50 0 IJAARN CCOc1ccccc1CN1CCCn2cccc2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000037523239 569198316 /nfs/dbraw/zinc/19/83/16/569198316.db2.gz RBSSZZJABDSXCT-AREMUKBSSA-N 0 0 436.552 4.908 50 0 IJAARN CCOc1ccccc1CN1CCCn2cccc2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000037523238 569198319 /nfs/dbraw/zinc/19/83/19/569198319.db2.gz RBSSZZJABDSXCT-SANMLTNESA-N 0 0 436.552 4.908 50 0 IJAARN CC(C)[C@@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037524271 569198581 /nfs/dbraw/zinc/19/85/81/569198581.db2.gz VNJWTMBKNJVQDL-QGZVFWFLSA-N 0 0 427.976 4.513 50 0 IJAARN CC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000037524610 569198851 /nfs/dbraw/zinc/19/88/51/569198851.db2.gz ICAQADIMVCYJNS-HSZRJFAPSA-N 0 0 433.596 4.625 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)cc1 ZINC000037543370 569199561 /nfs/dbraw/zinc/19/95/61/569199561.db2.gz GTBMZCIMVFCGKD-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)cc1 ZINC000037544467 569199602 /nfs/dbraw/zinc/19/96/02/569199602.db2.gz GEQFAFWSDKQAGB-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)NCc3ccco3)c2Oc2ccccc2F)cc1 ZINC000037546932 569199739 /nfs/dbraw/zinc/19/97/39/569199739.db2.gz OHJUJCNXEXITDO-UHFFFAOYSA-N 0 0 449.482 4.963 50 0 IJAARN COc1ccc(Oc2c(CCC(=O)NCC(C)C)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547030 569199894 /nfs/dbraw/zinc/19/98/94/569199894.db2.gz UCLXUDXKOOMLEU-UHFFFAOYSA-N 0 0 425.504 4.826 50 0 IJAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000037555971 569200578 /nfs/dbraw/zinc/20/05/78/569200578.db2.gz JQVMKAJQGMLJRL-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN O=C(Nc1ccccc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580604 569201961 /nfs/dbraw/zinc/20/19/61/569201961.db2.gz KDIZBUUDYSFCRL-UHFFFAOYSA-N 0 0 433.487 4.598 50 0 IJAARN COCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037600972 569202249 /nfs/dbraw/zinc/20/22/49/569202249.db2.gz BUAOLDYOUOXFCQ-FOCLMDBBSA-N 0 0 442.559 4.547 50 0 IJAARN CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2[C@H]1c1cccc(F)c1 ZINC000037602852 569202529 /nfs/dbraw/zinc/20/25/29/569202529.db2.gz UKZHQYTVRFZDSO-AREMUKBSSA-N 0 0 432.495 4.646 50 0 IJAARN CCCCCOC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 ZINC000002214857 569202812 /nfs/dbraw/zinc/20/28/12/569202812.db2.gz UBXUNBUFZHIPCK-UHFFFAOYSA-N 0 0 448.614 4.578 50 0 IJAARN CC(C)CN(C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1)C(=O)c1ccc(F)cc1 ZINC000037611717 569203057 /nfs/dbraw/zinc/20/30/57/569203057.db2.gz WIJOPSGOPVBAQX-NRFANRHFSA-N 0 0 447.938 4.510 50 0 IJAARN COc1ccc(C(=O)N/C(=C\c2c[nH]c3ccccc23)C(=O)Nc2ccccc2OC)cc1 ZINC000195757437 569205558 /nfs/dbraw/zinc/20/55/58/569205558.db2.gz VYTOSKATGSRDCB-HAHDFKILSA-N 0 0 441.487 4.595 50 0 IJAARN COc1cccc(N2C(=O)NC3=Nc4c(cnn4C(C)(C)C)[C@@H](c4ccc(F)cc4)[C@@H]32)c1 ZINC000066091739 569205825 /nfs/dbraw/zinc/20/58/25/569205825.db2.gz HFUODYSENTUUDB-UXHICEINSA-N 0 0 433.487 4.560 50 0 IJAARN COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3cccc(C)c3)n2)cc1 ZINC000002931035 569212864 /nfs/dbraw/zinc/21/28/64/569212864.db2.gz SCXAHEKCADUTCU-UHFFFAOYSA-N 0 0 429.476 4.814 50 0 IJAARN CC(C)CNC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 ZINC000002248979 569214754 /nfs/dbraw/zinc/21/47/54/569214754.db2.gz STMYVAZWLWFKRC-UHFFFAOYSA-N 0 0 428.323 4.849 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(/C=C/c3ccc(F)cc3)nn12 ZINC000027460152 569215232 /nfs/dbraw/zinc/21/52/32/569215232.db2.gz JFCRQEPLDYRUKC-KRWXNTFSSA-N 0 0 449.894 4.922 50 0 IJAARN CC(=O)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002264177 569216111 /nfs/dbraw/zinc/21/61/11/569216111.db2.gz INRZMQBJUPJUQD-UHFFFAOYSA-N 0 0 428.492 4.848 50 0 IJAARN COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002254133 569216696 /nfs/dbraw/zinc/21/66/96/569216696.db2.gz ZQNJUTGCRCBBIN-FQEVSTJZSA-N 0 0 448.500 4.633 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1OC ZINC000002253933 569216712 /nfs/dbraw/zinc/21/67/12/569216712.db2.gz HGNUEJHNYAKQGS-GOTSBHOMSA-N 0 0 444.516 4.570 50 0 IJAARN Cc1cccc(-n2c3nnc(S)n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002277597 569217941 /nfs/dbraw/zinc/21/79/41/569217941.db2.gz JZLDYFUDNOLZAT-UHFFFAOYSA-N 0 0 428.561 4.902 50 0 IJAARN COc1ccc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(C)cc(Br)cc1C ZINC000001031300 569256385 /nfs/dbraw/zinc/25/63/85/569256385.db2.gz LQVNZAROCNCGQG-UHFFFAOYSA-N 0 0 441.709 4.698 50 0 IJAARN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCC[C@@H]3C)cc2c1 ZINC000019927697 569257311 /nfs/dbraw/zinc/25/73/11/569257311.db2.gz PJQPCTCWZSQUFP-GAJHUEQPSA-N 0 0 434.588 4.546 50 0 IJAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000027527476 569263169 /nfs/dbraw/zinc/26/31/69/569263169.db2.gz OTKSODNNVUCEJZ-UHFFFAOYSA-N 0 0 446.938 4.947 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1(C)C ZINC000253392617 569264322 /nfs/dbraw/zinc/26/43/22/569264322.db2.gz RYIHWRRZRXBGSA-QGZVFWFLSA-N 0 0 436.643 4.931 50 0 IJAARN CCN(C(=O)c1nnn(-c2ccc3ncccc3c2)c1C)c1cccc(Br)c1 ZINC000253417586 569266519 /nfs/dbraw/zinc/26/65/19/569266519.db2.gz BCOPRYPFCSBBJQ-UHFFFAOYSA-N 0 0 436.313 4.553 50 0 IJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N(C)C3CCN(c4ccccc4)CC3)c12 ZINC000253421724 569266959 /nfs/dbraw/zinc/26/69/59/569266959.db2.gz KHEHBHKCGIXUCK-UHFFFAOYSA-N 0 0 445.592 4.746 50 0 IJAARN COc1ccc([C@H](NCc2ccc(NC(C)=O)cc2)C(F)(F)F)cc1Br ZINC000253421538 569266978 /nfs/dbraw/zinc/26/69/78/569266978.db2.gz XKHIVMYXASOKHJ-KRWDZBQOSA-N 0 0 431.252 4.809 50 0 IJAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002290266 569267770 /nfs/dbraw/zinc/26/77/70/569267770.db2.gz FZRCKFKJAGZSTR-UHFFFAOYSA-N 0 0 441.922 4.782 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(c2ccco2)=NN1C(C)=O ZINC000253433171 569269262 /nfs/dbraw/zinc/26/92/62/569269262.db2.gz SUQSMLGKIWDLBO-JOCHJYFZSA-N 0 0 426.476 4.839 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002310134 569272135 /nfs/dbraw/zinc/27/21/35/569272135.db2.gz ZWEXRVVWWQFTCG-INIZCTEOSA-N 0 0 437.503 4.656 50 0 IJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000002313353 569273057 /nfs/dbraw/zinc/27/30/57/569273057.db2.gz WPQCZKRFIWZCIM-INIZCTEOSA-N 0 0 440.594 4.613 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1c1nc2ccc(F)cc2s1 ZINC000002338573 569274938 /nfs/dbraw/zinc/27/49/38/569274938.db2.gz QTXHNWXSCWQUTC-FQEVSTJZSA-N 0 0 444.443 4.997 50 0 IJAARN Cc1cc(OC(=O)CCCNC(=O)OCc2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002359075 569286061 /nfs/dbraw/zinc/28/60/61/569286061.db2.gz JIZIEZLJYFZREB-UHFFFAOYSA-N 0 0 449.503 4.592 50 0 IJAARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002395974 569298432 /nfs/dbraw/zinc/29/84/32/569298432.db2.gz GZQGBZYYXQZHMB-INIZCTEOSA-N 0 0 435.904 4.534 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000002400752 569299532 /nfs/dbraw/zinc/29/95/32/569299532.db2.gz LHWUGGUJDZYDAT-NRFANRHFSA-N 0 0 441.911 4.815 50 0 IJAARN O=c1/c(=C/c2ccc(-c3ccccc3Cl)o2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000002403606 569299854 /nfs/dbraw/zinc/29/98/54/569299854.db2.gz NBUHPHMLMVYPMS-WQRHYEAKSA-N 0 0 440.311 4.933 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000002404423 569299978 /nfs/dbraw/zinc/29/99/78/569299978.db2.gz XKETUDOVGBFJGT-DHIUTWEWSA-N 0 0 439.519 4.614 50 0 IJAARN COC(CNc1nc(SC)nc2c3c4c(c(CC(C)C)nc3sc21)CCC4)OC ZINC000002411534 569300962 /nfs/dbraw/zinc/30/09/62/569300962.db2.gz RZDNXSLAMHPDPW-UHFFFAOYSA-N 0 0 432.615 4.679 50 0 IJAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000002420591 569301991 /nfs/dbraw/zinc/30/19/91/569301991.db2.gz QONMUQQQGWQTIP-UHFFFAOYSA-N 0 0 433.464 4.890 50 0 IJAARN CCCc1nc2sc3c(ncnc3SCC(=O)Nc3nccs3)c2c2c1CCC2 ZINC000002420542 569302005 /nfs/dbraw/zinc/30/20/05/569302005.db2.gz OCHIABXSHAIALB-UHFFFAOYSA-N 0 0 441.607 4.868 50 0 IJAARN Cn1nc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O ZINC000002428486 569302784 /nfs/dbraw/zinc/30/27/84/569302784.db2.gz QOEZSQBLJWKRAF-UHFFFAOYSA-N 0 0 437.543 4.695 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000013075798 569309252 /nfs/dbraw/zinc/30/92/52/569309252.db2.gz JLUIECSOCJBDHO-FQEVSTJZSA-N 0 0 444.531 4.601 50 0 IJAARN O=C(CSc1ccccc1C(=O)OCCOc1ccccc1F)Nc1ccc(F)cc1 ZINC000013096460 569309588 /nfs/dbraw/zinc/30/95/88/569309588.db2.gz DSEPUIUXDQIQCM-UHFFFAOYSA-N 0 0 443.471 4.931 50 0 IJAARN CSc1nc2nc(C)c(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)n2n1 ZINC000013121125 569311146 /nfs/dbraw/zinc/31/11/46/569311146.db2.gz KWNIBPFDJMMMHF-UHFFFAOYSA-N 0 0 433.537 4.827 50 0 IJAARN CC(C)c1ccc(CN(C)[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013139204 569311695 /nfs/dbraw/zinc/31/16/95/569311695.db2.gz DOAOTUSMQUGLHO-IZZNHLLZSA-N 0 0 434.605 4.886 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)CCCC4)s2)cc1 ZINC000013148679 569312172 /nfs/dbraw/zinc/31/21/72/569312172.db2.gz DJGLJBQOKXOOMF-UHFFFAOYSA-N 0 0 439.562 4.748 50 0 IJAARN COc1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000013164233 569312384 /nfs/dbraw/zinc/31/23/84/569312384.db2.gz BYHKDARPIHTXJA-GTCGAKFVSA-N 0 0 435.545 4.961 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456682 569312940 /nfs/dbraw/zinc/31/29/40/569312940.db2.gz YXPWUHCNIWJEOQ-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN O=C(C1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456552 569312941 /nfs/dbraw/zinc/31/29/41/569312941.db2.gz ITAVHXNJOGWTGA-NRFANRHFSA-N 0 0 427.342 4.900 50 0 IJAARN COc1cc(NC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc(OC)c1OC ZINC000013353975 569313465 /nfs/dbraw/zinc/31/34/65/569313465.db2.gz NVZMXHUYPFHNPX-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN CNC(=O)[C@@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1C1CCCCC1 ZINC000019298227 569317318 /nfs/dbraw/zinc/31/73/18/569317318.db2.gz OVDMLFGPQWKTCZ-CYBMUJFWSA-N 0 0 441.523 4.641 50 0 IJAARN Cc1cc(-n2c(C)cc(-c3csc([C@@H]4COCCN4C(=O)OC(C)(C)C)n3)c2C)no1 ZINC000328597087 569318009 /nfs/dbraw/zinc/31/80/09/569318009.db2.gz DIKXHHVFOWJHGY-SFHVURJKSA-N 0 0 444.557 4.822 50 0 IJAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000078797167 569318968 /nfs/dbraw/zinc/31/89/68/569318968.db2.gz ZJHKLKCKMNFEEI-HSZRJFAPSA-N 0 0 439.581 4.564 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)o2)cc1 ZINC000078870308 569319579 /nfs/dbraw/zinc/31/95/79/569319579.db2.gz XRLWGPLLTLEOKD-IBGZPJMESA-N 0 0 437.927 4.548 50 0 IJAARN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cc2)n1 ZINC000078879202 569320003 /nfs/dbraw/zinc/32/00/03/569320003.db2.gz KMSYLYYJDWQUGB-OAHLLOKOSA-N 0 0 442.350 4.864 50 0 IJAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NCc3c[nH]cn3)c2c1C ZINC000079063880 569324314 /nfs/dbraw/zinc/32/43/14/569324314.db2.gz UMDMVKOEGYAMMG-UHFFFAOYSA-N 0 0 439.566 4.804 50 0 IJAARN CCCCc1cc2c(cc1OC(=O)[C@H](N)[C@@H](C)CC)occ(-c1csc(C)n1)c2=O ZINC000019702899 569327306 /nfs/dbraw/zinc/32/73/06/569327306.db2.gz RRRLTDPGJYSFPY-YEJXKQKISA-N 0 0 428.554 4.846 50 0 biogenic IJAARN Cc1cc(C)nc(Nc2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000079464484 569330461 /nfs/dbraw/zinc/33/04/61/569330461.db2.gz LTAFOZCOLQBCIG-UHFFFAOYSA-N 0 0 436.943 4.614 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1C ZINC000019855329 569330498 /nfs/dbraw/zinc/33/04/98/569330498.db2.gz XETBTJDPDNBZEJ-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002463372 569331770 /nfs/dbraw/zinc/33/17/70/569331770.db2.gz DNZCJNGTXAWUIC-AUUYWEPGSA-N 0 0 426.925 4.732 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002463370 569331771 /nfs/dbraw/zinc/33/17/71/569331771.db2.gz DNZCJNGTXAWUIC-IFXJQAMLSA-N 0 0 426.925 4.732 50 0 IJAARN Cc1cccc(C)c1N(C(=O)c1ccccc1)C(=O)[C@@H](c1ccccc1)N1CCOCC1 ZINC000019901042 569331856 /nfs/dbraw/zinc/33/18/56/569331856.db2.gz JNRXTWVKXLAFLL-RUZDIDTESA-N 0 0 428.532 4.550 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020152430 569353414 /nfs/dbraw/zinc/35/34/14/569353414.db2.gz ZPDIIXYMYJYGFV-UHFFFAOYSA-N 0 0 438.254 4.957 50 0 IJAARN O=C(CCc1c(Cl)cccc1Cl)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390829737 569354141 /nfs/dbraw/zinc/35/41/41/569354141.db2.gz GFAFSWINMDKRIC-UHFFFAOYSA-N 0 0 440.392 4.532 50 0 IJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCc4ccccc4)cc3N(C)C2=O)c1 ZINC000020180424 569355026 /nfs/dbraw/zinc/35/50/26/569355026.db2.gz OBUCQPZBPKOIMK-UCQKPKSFSA-N 0 0 430.529 4.735 50 0 IJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCCc4ccccc4)cc3N(C)C2=O)c1 ZINC000020180477 569355106 /nfs/dbraw/zinc/35/51/06/569355106.db2.gz UUJKIYMLHFCCKF-JLPGSUDCSA-N 0 0 444.556 4.777 50 0 biogenic IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCc2ccccc2C1 ZINC000020181235 569355301 /nfs/dbraw/zinc/35/53/01/569355301.db2.gz UBKWFQLYABUWCO-IWIPYMOSSA-N 0 0 444.531 4.890 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N[C@H](C)CCc3ccccc3)cc12 ZINC000020183214 569355450 /nfs/dbraw/zinc/35/54/50/569355450.db2.gz BBLPGKQBFYBTOO-LJQANCHMSA-N 0 0 434.609 4.688 50 0 IJAARN Cc1ccc(C)c(CN2c3cc(C(=O)NC4CC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242658 569358164 /nfs/dbraw/zinc/35/81/64/569358164.db2.gz ICZNFUOLWNSNCZ-JGCGQSQUSA-N 0 0 444.556 4.523 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)N1CCCCC1 ZINC000020242739 569358279 /nfs/dbraw/zinc/35/82/79/569358279.db2.gz ZVIYQJHJZONPAU-YTTGMZPUSA-N 0 0 444.556 4.640 50 0 IJAARN COc1ccc(CNC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)cc1OC ZINC000020385431 569363042 /nfs/dbraw/zinc/36/30/42/569363042.db2.gz ZHISIHKRUKXRRS-UHFFFAOYSA-N 0 0 438.499 4.529 50 0 IJAARN FC(F)(F)c1cc(NCc2ccnc(N3CCCCCC3)c2)nc(-c2ccccn2)n1 ZINC000095394078 569363567 /nfs/dbraw/zinc/36/35/67/569363567.db2.gz VRIAJAXTWSZWMD-UHFFFAOYSA-N 0 0 428.462 4.945 50 0 IJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(NC(C)=O)cc2)cc1 ZINC000020415282 569364478 /nfs/dbraw/zinc/36/44/78/569364478.db2.gz OGNZTPAZNGRIEQ-DEOSSOPVSA-N 0 0 425.488 4.895 50 0 IJAARN FC(F)(F)c1cccnc1-n1ccc(NCc2cccc(OCc3ccccn3)c2)n1 ZINC000095428439 569366107 /nfs/dbraw/zinc/36/61/07/569366107.db2.gz HPHVEWSAPPCHJZ-UHFFFAOYSA-N 0 0 425.414 4.872 50 0 IJAARN Cc1nc(CCC(=O)NC2(c3ccc(F)cc3F)CCOCC2)oc1-c1ccccc1 ZINC000095444875 569367165 /nfs/dbraw/zinc/36/71/65/569367165.db2.gz SHGBYMQVKKHOBB-UHFFFAOYSA-N 0 0 426.463 4.683 50 0 IJAARN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000095455860 569368691 /nfs/dbraw/zinc/36/86/91/569368691.db2.gz OOECSKZFFVGRPU-FYYLOGMGSA-N 0 0 447.535 4.714 50 0 IJAARN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000095455862 569368723 /nfs/dbraw/zinc/36/87/23/569368723.db2.gz OOECSKZFFVGRPU-GGAORHGYSA-N 0 0 447.535 4.714 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000095459185 569369380 /nfs/dbraw/zinc/36/93/80/569369380.db2.gz ZJQAMIFXIWDTCQ-PGRDOPGGSA-N 0 0 434.540 4.506 50 0 IJAARN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095463366 569370329 /nfs/dbraw/zinc/37/03/29/569370329.db2.gz AVOQADXXNHMXAQ-CJAUYULYSA-N 0 0 448.538 4.724 50 0 IJAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1-c1cc(OC)c(OC)cc1C2 ZINC000095474023 569372478 /nfs/dbraw/zinc/37/24/78/569372478.db2.gz WWBDZPBJOPCQDG-UHFFFAOYSA-N 0 0 437.517 4.694 50 0 IJAARN COCCn1ccc2c1cccc2NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000095479740 569373763 /nfs/dbraw/zinc/37/37/63/569373763.db2.gz GTRJBCYSWVSSNW-UHFFFAOYSA-N 0 0 429.561 4.557 50 0 IJAARN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(OC4CCOCC4)c(C)c3)C2)cc1 ZINC000095942671 569375587 /nfs/dbraw/zinc/37/55/87/569375587.db2.gz VMIAWAXZJKUYPA-HSZRJFAPSA-N 0 0 437.584 4.994 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000095945249 569375845 /nfs/dbraw/zinc/37/58/45/569375845.db2.gz WAIDPORTWCVFLU-HSZRJFAPSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095973677 569377456 /nfs/dbraw/zinc/37/74/56/569377456.db2.gz RCVVFWKAQJBGAJ-AWEZNQCLSA-N 0 0 428.510 4.620 50 0 IJAARN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)Nc3cc(F)ccc3OC(C)C)cs2)c1 ZINC000096004315 569379146 /nfs/dbraw/zinc/37/91/46/569379146.db2.gz GASBQARPZZHLIA-UHFFFAOYSA-N 0 0 443.500 4.517 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)c2oc1-c1ccccc1 ZINC000096011823 569379920 /nfs/dbraw/zinc/37/99/20/569379920.db2.gz UNRIHVXZMNWCAS-UHFFFAOYSA-N 0 0 436.471 4.816 50 0 IJAARN COc1ccc(C(=O)CCN2CCN(c3ccccc3SC(C)C)CC2)cc1OC ZINC000096026820 569380738 /nfs/dbraw/zinc/38/07/38/569380738.db2.gz LEAZFUVCEFHFMU-UHFFFAOYSA-N 0 0 428.598 4.599 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096104124 569382123 /nfs/dbraw/zinc/38/21/23/569382123.db2.gz HNYQOBQOLUEDCL-UHFFFAOYSA-N 0 0 433.573 4.674 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116683 569383841 /nfs/dbraw/zinc/38/38/41/569383841.db2.gz NZFNCZMJHHAUTC-RDTXWAMCSA-N 0 0 449.960 4.713 50 0 IJAARN CSCC[C@H](NC(=O)CCc1cn(C(C)C)c2ccccc12)c1nnc2ccccn21 ZINC000096118767 569384573 /nfs/dbraw/zinc/38/45/73/569384573.db2.gz KXLCNPMBLSJQQE-FQEVSTJZSA-N 0 0 435.597 4.808 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3Cc3nc(-c4ccco4)no3)c2O1 ZINC000096119654 569384782 /nfs/dbraw/zinc/38/47/82/569384782.db2.gz WVOAVNSHBVSUSH-UHFFFAOYSA-N 0 0 445.475 4.651 50 0 IJAARN COc1ccc(Br)cc1CCC(=O)Nc1ccc(N2CCC[C@H](OC)C2)cc1 ZINC000096122452 569385300 /nfs/dbraw/zinc/38/53/00/569385300.db2.gz SQBAIPLYPDMBID-FQEVSTJZSA-N 0 0 447.373 4.644 50 0 IJAARN COc1cccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1OC ZINC000096222896 569387320 /nfs/dbraw/zinc/38/73/20/569387320.db2.gz XFDBJXJREGDSKC-GOSISDBHSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN O=C(COCc1ccccc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096275859 569388433 /nfs/dbraw/zinc/38/84/33/569388433.db2.gz ZFPAXNKPIOGMMW-UHFFFAOYSA-N 0 0 427.504 4.525 50 0 IJAARN Cc1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)COCc3ccccc3)n2)cc1 ZINC000096277428 569388756 /nfs/dbraw/zinc/38/87/56/569388756.db2.gz XAWSKEZYWZLAFE-UHFFFAOYSA-N 0 0 441.531 4.833 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC000096279425 569389431 /nfs/dbraw/zinc/38/94/31/569389431.db2.gz FHOPXWZDSDRRFM-QFIPXVFZSA-N 0 0 441.934 4.805 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000096281138 569389773 /nfs/dbraw/zinc/38/97/73/569389773.db2.gz QOMPTAOXTSZQEF-JWQCQUIFSA-N 0 0 434.580 4.500 50 0 IJAARN COc1ccc(CN(C(C)=O)C(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000096291246 569391131 /nfs/dbraw/zinc/39/11/31/569391131.db2.gz XVJPFTPECBKBOA-UHFFFAOYSA-N 0 0 446.352 4.527 50 0 IJAARN COCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096291067 569391152 /nfs/dbraw/zinc/39/11/52/569391152.db2.gz YECWTMJLWMUFHH-UHFFFAOYSA-N 0 0 440.758 4.740 50 0 IJAARN O=C(NC1CC1)c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000096292026 569391228 /nfs/dbraw/zinc/39/12/28/569391228.db2.gz COQHNNWUUIPBJX-UHFFFAOYSA-N 0 0 445.523 4.653 50 0 IJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000096292940 569391479 /nfs/dbraw/zinc/39/14/79/569391479.db2.gz SXSUFVKQIRQILR-OAHLLOKOSA-N 0 0 443.931 4.891 50 0 IJAARN COc1cccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccc(F)c3)n2)c1 ZINC000096294213 569391774 /nfs/dbraw/zinc/39/17/74/569391774.db2.gz ITXPMDBRKIMPFQ-UHFFFAOYSA-N 0 0 445.494 4.812 50 0 IJAARN CCn1c(SCc2cccc(C(=O)NCc3ccncc3)c2)nnc1-c1cccs1 ZINC000096294258 569391776 /nfs/dbraw/zinc/39/17/76/569391776.db2.gz MCCVYTPFEBADEF-UHFFFAOYSA-N 0 0 435.578 4.644 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096317199 569393210 /nfs/dbraw/zinc/39/32/10/569393210.db2.gz XOWWKLXEOXSOMF-GOSISDBHSA-N 0 0 426.580 4.587 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000096317383 569393405 /nfs/dbraw/zinc/39/34/05/569393405.db2.gz XNMVFMCNMHFUKR-HNNXBMFYSA-N 0 0 444.982 4.740 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3cc4occc4c(Nc4ccc(F)cc4)n3)CC2)c1 ZINC000096323656 569395380 /nfs/dbraw/zinc/39/53/80/569395380.db2.gz GLVMEWPVSDOCSV-UHFFFAOYSA-N 0 0 446.482 4.682 50 0 IJAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1 ZINC000096324141 569395704 /nfs/dbraw/zinc/39/57/04/569395704.db2.gz VYCJCMSLMHHWRS-UHFFFAOYSA-N 0 0 430.508 4.679 50 0 IJAARN C[C@@H]1Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2N1C(=O)c1ccccc1 ZINC000096325050 569396164 /nfs/dbraw/zinc/39/61/64/569396164.db2.gz UDQIEXSRQJYPQD-CQSZACIVSA-N 0 0 439.309 4.564 50 0 IJAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000096335929 569396673 /nfs/dbraw/zinc/39/66/73/569396673.db2.gz ROYPCJGGUNVCCY-OFNKIYASSA-N 0 0 447.874 4.987 50 0 IJAARN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccccc4Br)no3)cc2c1 ZINC000096349534 569397327 /nfs/dbraw/zinc/39/73/27/569397327.db2.gz GMZMIPPJJJHOPY-UHFFFAOYSA-N 0 0 439.313 4.604 50 0 IJAARN O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)Nc1ccc(N2CCOCC2)cc1 ZINC000096363666 569397781 /nfs/dbraw/zinc/39/77/81/569397781.db2.gz NHIBZEBPHPDGRT-UHFFFAOYSA-N 0 0 426.520 4.638 50 0 IJAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1 ZINC000096399456 569400024 /nfs/dbraw/zinc/40/00/24/569400024.db2.gz IHYSWCXLAWJJGW-UHFFFAOYSA-N 0 0 435.596 4.946 50 0 IJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2ccc(OC)cc21 ZINC000096400345 569400334 /nfs/dbraw/zinc/40/03/34/569400334.db2.gz IEFRBXZGGLNRIY-UHFFFAOYSA-N 0 0 438.915 4.903 50 0 IJAARN COc1cccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)c1 ZINC000002472314 569404316 /nfs/dbraw/zinc/40/43/16/569404316.db2.gz OGNYWCWKLLNNTE-XZOQPEGZSA-N 0 0 427.508 4.594 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225730455 569407529 /nfs/dbraw/zinc/40/75/29/569407529.db2.gz WNNGBFUTGXRQIY-GFCCVEGCSA-N 0 0 449.654 4.810 50 0 IJAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Br)c2cccnc12 ZINC000028229373 569409349 /nfs/dbraw/zinc/40/93/49/569409349.db2.gz OHYZFMGIHNOCIN-UHFFFAOYSA-N 0 0 439.235 4.729 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1csc(-c2ccccc2)n1 ZINC000002629878 569412078 /nfs/dbraw/zinc/41/20/78/569412078.db2.gz AKZSOIZHPQOTQK-IBGZPJMESA-N 0 0 428.941 4.961 50 0 IJAARN CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002629594 569412105 /nfs/dbraw/zinc/41/21/05/569412105.db2.gz OHUHODOIVURHLW-UHFFFAOYSA-N 0 0 441.325 4.736 50 0 IJAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3cccc(C)c3)c2c1 ZINC000215701163 569412528 /nfs/dbraw/zinc/41/25/28/569412528.db2.gz GWBWXMDPUSOMGI-OYKKKHCWSA-N 0 0 425.488 4.895 50 0 IJAARN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc(Br)cc1 ZINC000002632342 569412593 /nfs/dbraw/zinc/41/25/93/569412593.db2.gz PDELNOOMQLHWLI-UHFFFAOYSA-N 0 0 430.323 4.876 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000002635721 569412907 /nfs/dbraw/zinc/41/29/07/569412907.db2.gz JWABVGZTOMRFKZ-LBPRGKRZSA-N 0 0 440.594 4.956 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000002648039 569414431 /nfs/dbraw/zinc/41/44/31/569414431.db2.gz ZAGMJXTWXWQYKQ-UXHICEINSA-N 0 0 444.531 4.598 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002648867 569414582 /nfs/dbraw/zinc/41/45/82/569414582.db2.gz ZSVSRKVSQWVLRU-UHFFFAOYSA-N 0 0 440.397 4.571 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000002652863 569415063 /nfs/dbraw/zinc/41/50/63/569415063.db2.gz LZWRUFLNYRDISR-MRXNPFEDSA-N 0 0 442.610 4.910 50 0 IJAARN CC(=O)Nc1sc2c(c1C(=O)OCc1nnc(-c3ccc(Cl)cc3)o1)CCCC2 ZINC000002656985 569415468 /nfs/dbraw/zinc/41/54/68/569415468.db2.gz OTFXCFODXBQGNG-UHFFFAOYSA-N 0 0 431.901 4.646 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002658517 569415720 /nfs/dbraw/zinc/41/57/20/569415720.db2.gz DJGDLMJQHWMAAX-UHFFFAOYSA-N 0 0 443.805 4.512 50 0 IJAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccc2ncsc2c1 ZINC000002665026 569416537 /nfs/dbraw/zinc/41/65/37/569416537.db2.gz OOQKPNNMGZRKKW-UHFFFAOYSA-N 0 0 431.473 4.572 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1cccc(OC)c1 ZINC000002687709 569416837 /nfs/dbraw/zinc/41/68/37/569416837.db2.gz RZQWYNWABKVWCY-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN NC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc2c1CCCC2 ZINC000002755733 569420401 /nfs/dbraw/zinc/42/04/01/569420401.db2.gz JAGPMFQQNDTEOP-UHFFFAOYSA-N 0 0 430.913 4.804 50 0 IJAARN CCOC(=O)c1sc2ncn3nc(COc4cc(C)c(Cl)c(C)c4)nc3c2c1C ZINC000002791551 569421829 /nfs/dbraw/zinc/42/18/29/569421829.db2.gz CMWRUYLZGLLAIY-UHFFFAOYSA-N 0 0 430.917 4.673 50 0 IJAARN Cc1ccccc1Cn1cnc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)n1 ZINC000002800114 569422237 /nfs/dbraw/zinc/42/22/37/569422237.db2.gz KTLOJBPWESZMEG-UHFFFAOYSA-N 0 0 438.531 4.955 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1I ZINC000002910395 569424802 /nfs/dbraw/zinc/42/48/02/569424802.db2.gz BRKKXPWFDLLJFD-UHFFFAOYSA-N 0 0 430.083 4.923 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2F)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000002911120 569424881 /nfs/dbraw/zinc/42/48/81/569424881.db2.gz BVGVLHMWWFLQHE-UHFFFAOYSA-N 0 0 427.888 4.860 50 0 IJAARN Clc1ccccc1[C@H]1C[C@@H](c2ccc(I)cc2)Nc2ncnn21 ZINC000002918777 569425245 /nfs/dbraw/zinc/42/52/45/569425245.db2.gz AJNUFWLFOUTBSH-JKSUJKDBSA-N 0 0 436.684 4.682 50 0 IJAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(NCc3ccccc3)n2)c1 ZINC000002933008 569426230 /nfs/dbraw/zinc/42/62/30/569426230.db2.gz SYIBIHGDNYYBKB-UHFFFAOYSA-N 0 0 430.533 4.981 50 0 IJAARN CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)c1 ZINC000002953202 569432214 /nfs/dbraw/zinc/43/22/14/569432214.db2.gz CLKYZTHJHQLDGF-FVDSYPCUSA-N 0 0 431.467 4.815 50 0 IJAARN COCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000002953647 569432223 /nfs/dbraw/zinc/43/22/23/569432223.db2.gz OSTPHDYIUURNQJ-UHFFFAOYSA-N 0 0 446.572 4.991 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccccc1 ZINC000002955323 569432412 /nfs/dbraw/zinc/43/24/12/569432412.db2.gz GURADZARNQNYTF-RFBIWTDZSA-N 0 0 429.476 4.512 50 0 IJAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccs1)c1cccc(C)c1 ZINC000002971045 569433405 /nfs/dbraw/zinc/43/34/05/569433405.db2.gz KMYHURGIVBMRTA-UHFFFAOYSA-N 0 0 449.601 4.960 50 0 IJAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 ZINC000002971251 569433415 /nfs/dbraw/zinc/43/34/15/569433415.db2.gz YQZVJZIINMVCPY-LJQANCHMSA-N 0 0 430.529 4.837 50 0 IJAARN O=C(Cc1ccccc1)Nn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000002971515 569433473 /nfs/dbraw/zinc/43/34/73/569433473.db2.gz YKPQLRFFEHTZHF-UHFFFAOYSA-N 0 0 435.936 4.655 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)C1CC1)CC2 ZINC000002980167 569433713 /nfs/dbraw/zinc/43/37/13/569433713.db2.gz ZLSYMNPLIYVQLM-IBGZPJMESA-N 0 0 435.442 4.637 50 0 IJAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)N(C)c1cccc(Cl)c1 ZINC000057426070 569434520 /nfs/dbraw/zinc/43/45/20/569434520.db2.gz SENLKAUSPQWLGS-UHFFFAOYSA-N 0 0 436.002 4.913 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000057426091 569434525 /nfs/dbraw/zinc/43/45/25/569434525.db2.gz IHGHEICJRHOTNP-UHFFFAOYSA-N 0 0 439.537 4.685 50 0 IJAARN Fc1ccccc1N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427829 569434841 /nfs/dbraw/zinc/43/48/41/569434841.db2.gz PZBRJPBTRQSHHJ-UHFFFAOYSA-N 0 0 444.510 4.777 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000003006461 569435145 /nfs/dbraw/zinc/43/51/45/569435145.db2.gz GRZHUMBAUIDAKR-JOCHJYFZSA-N 0 0 439.458 4.801 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000057472766 569435643 /nfs/dbraw/zinc/43/56/43/569435643.db2.gz BUXJNVGOSQLEHA-UHFFFAOYSA-N 0 0 444.000 4.839 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1 ZINC000003022223 569436018 /nfs/dbraw/zinc/43/60/18/569436018.db2.gz JHVIXQGUXUKGDF-UHFFFAOYSA-N 0 0 446.931 4.772 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3nc(C)c(Cc4ccc(C)cc4)c(C)n3n2)c1 ZINC000003026043 569436263 /nfs/dbraw/zinc/43/62/63/569436263.db2.gz APZKNUQDUKZVTB-UHFFFAOYSA-N 0 0 445.592 4.934 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000057488088 569436903 /nfs/dbraw/zinc/43/69/03/569436903.db2.gz MLQBGVYXBYBXGQ-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)C1 ZINC000057488058 569436916 /nfs/dbraw/zinc/43/69/16/569436916.db2.gz LBQROVNAZFHPFR-KBPBESRZSA-N 0 0 448.013 4.697 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C ZINC000057488376 569436937 /nfs/dbraw/zinc/43/69/37/569436937.db2.gz VYBKHEXJSYZXSO-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N(C)C2CCCCC2)c1 ZINC000057488273 569436943 /nfs/dbraw/zinc/43/69/43/569436943.db2.gz PULVTDPEKASIPG-UHFFFAOYSA-N 0 0 441.622 4.947 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000057488228 569436966 /nfs/dbraw/zinc/43/69/66/569436966.db2.gz BLXSYHFCSLARAF-IAGOWNOFSA-N 0 0 441.622 4.661 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 ZINC000057505636 569438209 /nfs/dbraw/zinc/43/82/09/569438209.db2.gz UVADXIWCFKFACK-UHFFFAOYSA-N 0 0 428.945 4.790 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2ccccc2Cl)c3C)cc1 ZINC000003045060 569438634 /nfs/dbraw/zinc/43/86/34/569438634.db2.gz XVHVPSUEWAMSRX-UHFFFAOYSA-N 0 0 434.927 4.529 50 0 IJAARN CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCC3)c(C)c2c1 ZINC000003046974 569438684 /nfs/dbraw/zinc/43/86/84/569438684.db2.gz KKMIKWINLUZGGK-UHFFFAOYSA-N 0 0 434.602 4.958 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000057523130 569439072 /nfs/dbraw/zinc/43/90/72/569439072.db2.gz JFFVHOOTAVMBTE-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057598168 569440078 /nfs/dbraw/zinc/44/00/78/569440078.db2.gz FRUAOVIMNDZYDS-UHFFFAOYSA-N 0 0 430.552 4.733 50 0 IJAARN O=C(NCc1ccc(CN2CCOCC2)cc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000030015566 569440303 /nfs/dbraw/zinc/44/03/03/569440303.db2.gz VWRPMJPEWSWFEN-UHFFFAOYSA-N 0 0 446.513 4.666 50 0 IJAARN O=C1OC(c2ccc(I)cc2)=N/C1=C\c1ccc2ccccc2c1 ZINC000003131210 569440654 /nfs/dbraw/zinc/44/06/54/569440654.db2.gz SIVVWLHEBLVSLV-PDGQHHTCSA-N 0 0 425.225 4.789 50 0 IJAARN O=C(CNc1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057672223 569440849 /nfs/dbraw/zinc/44/08/49/569440849.db2.gz CIYHYLZPSNWBGX-GOSISDBHSA-N 0 0 434.508 4.938 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(C)(C)c3ccccc3NC)on2)cc1 ZINC000003195193 569441533 /nfs/dbraw/zinc/44/15/33/569441533.db2.gz ZILQKJAFGGLMRI-UHFFFAOYSA-N 0 0 427.570 4.740 50 0 IJAARN COC(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000003215181 569441780 /nfs/dbraw/zinc/44/17/80/569441780.db2.gz IFKDQKMDNQEARH-UHFFFAOYSA-N 0 0 425.488 4.564 50 0 IJAARN COc1ccc(NC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)cc1 ZINC000003240394 569442581 /nfs/dbraw/zinc/44/25/81/569442581.db2.gz PJRPHFGGSDGZCS-UHFFFAOYSA-N 0 0 435.407 4.751 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)SC2=N[C@H](C(C)C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000003249275 569442881 /nfs/dbraw/zinc/44/28/81/569442881.db2.gz FXKNDJMOWPJUOF-LAUBAEHRSA-N 0 0 437.565 4.685 50 0 IJAARN Cc1c(Cl)cccc1-n1c(=O)c2c3c(sc2nc1S[C@H]1CCOC1=O)CCCC3 ZINC000003256358 569443077 /nfs/dbraw/zinc/44/30/77/569443077.db2.gz QRGRTWJYEMJIKF-INIZCTEOSA-N 0 0 446.981 4.695 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2Sc3nnc(C(F)(F)F)n3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000003258152 569443126 /nfs/dbraw/zinc/44/31/26/569443126.db2.gz SRKWPRWSDGVEGZ-GDBMZVCRSA-N 0 0 438.862 4.901 50 0 IJAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)C[C@@H](C)O1 ZINC000003265621 569443398 /nfs/dbraw/zinc/44/33/98/569443398.db2.gz XSIXBLLQKSBIHS-HUUCEWRRSA-N 0 0 425.326 4.914 50 0 IJAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2c(Cl)cccc2Cl)C(C)C)c1 ZINC000003266259 569443412 /nfs/dbraw/zinc/44/34/12/569443412.db2.gz NASUKZVBHJMONC-IBGZPJMESA-N 0 0 440.323 4.508 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC1=NS(=O)(=O)c2ccccc21 ZINC000003272734 569443595 /nfs/dbraw/zinc/44/35/95/569443595.db2.gz MKBCSDYCNSVGKU-UHFFFAOYSA-N 0 0 440.546 4.770 50 0 IJAARN C[C@@H](Cc1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1)c1ccccc1 ZINC000003280639 569443921 /nfs/dbraw/zinc/44/39/21/569443921.db2.gz SVMZOOBNFSAXCS-ZDUSSCGKSA-N 0 0 438.578 4.885 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n(-c3ccccc3)c(=O)c2c1C ZINC000003291781 569444477 /nfs/dbraw/zinc/44/44/77/569444477.db2.gz CWRHYEULZIIYNA-KSSFIOAISA-N 0 0 441.622 4.851 50 0 IJAARN O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1ccc(OC(F)F)cc1 ZINC000058003228 569444540 /nfs/dbraw/zinc/44/45/40/569444540.db2.gz RLPGOMYOFWNWCD-UHFFFAOYSA-N 0 0 431.435 4.974 50 0 IJAARN COCCCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccccc1Cl ZINC000003293522 569444552 /nfs/dbraw/zinc/44/45/52/569444552.db2.gz XJXRIJSOGBLOJU-UHFFFAOYSA-N 0 0 435.933 4.615 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000003294853 569444601 /nfs/dbraw/zinc/44/46/01/569444601.db2.gz XZYYKUPFAHXGRI-UHFFFAOYSA-N 0 0 431.565 4.590 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccncc3)n2C)c2ccccc2)c1 ZINC000003314552 569445624 /nfs/dbraw/zinc/44/56/24/569445624.db2.gz MZMJGORTGHTQOX-NRFANRHFSA-N 0 0 443.532 4.552 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000003315324 569445682 /nfs/dbraw/zinc/44/56/82/569445682.db2.gz HNAZBOGEVONFHL-UHFFFAOYSA-N 0 0 434.518 4.517 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1C ZINC000003317670 569445819 /nfs/dbraw/zinc/44/58/19/569445819.db2.gz KGMQJYVGQTYFCX-UHFFFAOYSA-N 0 0 439.541 4.784 50 0 IJAARN O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(Br)c1 ZINC000003319265 569445850 /nfs/dbraw/zinc/44/58/50/569445850.db2.gz LPAYMUKHUZPRKW-UHFFFAOYSA-N 0 0 433.327 4.563 50 0 IJAARN Cc1nnc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n1Cc1ccccc1 ZINC000003332568 569446519 /nfs/dbraw/zinc/44/65/19/569446519.db2.gz VZBMDRVJSFGKSC-UHFFFAOYSA-N 0 0 449.605 4.873 50 0 IJAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000003332593 569446524 /nfs/dbraw/zinc/44/65/24/569446524.db2.gz RTNAYRLRMPTHTQ-UHFFFAOYSA-N 0 0 446.551 4.883 50 0 IJAARN O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003336471 569446662 /nfs/dbraw/zinc/44/66/62/569446662.db2.gz TZLWRTRKFYMZQT-UHFFFAOYSA-N 0 0 426.293 4.721 50 0 IJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(C)Cc1ccccc1 ZINC000003339113 569446774 /nfs/dbraw/zinc/44/67/74/569446774.db2.gz WAYVOSPPDLKRNU-UHFFFAOYSA-N 0 0 426.513 4.801 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000003345720 569447077 /nfs/dbraw/zinc/44/70/77/569447077.db2.gz CABWRTFPQQDJPT-UHFFFAOYSA-N 0 0 445.500 4.742 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000003347457 569447193 /nfs/dbraw/zinc/44/71/93/569447193.db2.gz LAIMSKPASFCVLL-UHFFFAOYSA-N 0 0 433.346 4.514 50 0 IJAARN COC(=O)c1cc(CN(CCC(C)C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)oc1C ZINC000003350779 569447367 /nfs/dbraw/zinc/44/73/67/569447367.db2.gz UMAVGKRKJOMTJC-UHFFFAOYSA-N 0 0 448.368 4.918 50 0 IJAARN COC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cccc(C)c1C ZINC000003356316 569447637 /nfs/dbraw/zinc/44/76/37/569447637.db2.gz QXBXQWIUDBHAEB-UHFFFAOYSA-N 0 0 441.119 4.867 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)cc1 ZINC000003364429 569448110 /nfs/dbraw/zinc/44/81/10/569448110.db2.gz RFNFPTGKUOMLMC-UHFFFAOYSA-N 0 0 432.548 4.543 50 0 IJAARN O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Br)s1 ZINC000003374100 569448591 /nfs/dbraw/zinc/44/85/91/569448591.db2.gz VKEAZFXLDSNPAG-UHFFFAOYSA-N 0 0 426.386 4.949 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\C=C\c3ccccc3OC)C2=O)cc1 ZINC000058159605 569449124 /nfs/dbraw/zinc/44/91/24/569449124.db2.gz GNHQGHTUNIROHL-MIGDDTRMSA-N 0 0 425.484 4.983 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000003401838 569449841 /nfs/dbraw/zinc/44/98/41/569449841.db2.gz MQNUBDXVKNCDIA-OAQYLSRUSA-N 0 0 435.321 4.655 50 0 IJAARN CSc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2s1 ZINC000003405366 569449873 /nfs/dbraw/zinc/44/98/73/569449873.db2.gz PTYDQTUITGATBS-UHFFFAOYSA-N 0 0 429.542 4.648 50 0 IJAARN CCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1Cc1ccccc1 ZINC000003428241 569450666 /nfs/dbraw/zinc/45/06/66/569450666.db2.gz DFNPJTJHNBCGRP-UHFFFAOYSA-N 0 0 444.626 4.526 50 0 IJAARN CN(Cc1cccs1)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1 ZINC000003445462 569451385 /nfs/dbraw/zinc/45/13/85/569451385.db2.gz QXIITYQYDZQFBM-UHFFFAOYSA-N 0 0 448.013 4.977 50 0 IJAARN CC(C)c1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000003482655 569452379 /nfs/dbraw/zinc/45/23/79/569452379.db2.gz KDPIJVDMTONKCX-UHFFFAOYSA-N 0 0 449.601 4.979 50 0 IJAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CNc2cccc(C(C)=O)c2)cc1 ZINC000003486630 569452423 /nfs/dbraw/zinc/45/24/23/569452423.db2.gz XQJUXOBMTAYWSY-UHFFFAOYSA-N 0 0 431.492 4.591 50 0 IJAARN COc1ccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000003491959 569452562 /nfs/dbraw/zinc/45/25/62/569452562.db2.gz LIVSDTLIYUTBRY-CYBMUJFWSA-N 0 0 444.988 4.860 50 0 IJAARN Cc1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)ccc2Cl)on1 ZINC000031077443 569453158 /nfs/dbraw/zinc/45/31/58/569453158.db2.gz PMDVMUDWTIFBCB-UHFFFAOYSA-N 0 0 429.300 4.820 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000003513557 569453012 /nfs/dbraw/zinc/45/30/12/569453012.db2.gz JRIYAXSBFGHCJH-UHFFFAOYSA-N 0 0 442.298 4.698 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000003513417 569453029 /nfs/dbraw/zinc/45/30/29/569453029.db2.gz FLKYMIJPGAHWFZ-QHCPKHFHSA-N 0 0 447.918 4.922 50 0 IJAARN Cc1sc2nc(SCC(=O)N[C@@H](C)c3ccccc3)n(CC(C)C)c(=O)c2c1C ZINC000003542897 569453603 /nfs/dbraw/zinc/45/36/03/569453603.db2.gz SFNIDHBBPSEGQY-HNNXBMFYSA-N 0 0 429.611 4.700 50 0 IJAARN CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(C)C ZINC000003562983 569454052 /nfs/dbraw/zinc/45/40/52/569454052.db2.gz WYDWNWFYZNJOMR-UHFFFAOYSA-N 0 0 426.561 4.870 50 0 IJAARN O=C(c1cc(F)c(Cl)cc1Cl)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000031187539 569454591 /nfs/dbraw/zinc/45/45/91/569454591.db2.gz ILBYYESIVIULFK-UHFFFAOYSA-N 0 0 435.326 4.570 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N1CCCCCC1 ZINC000003600240 569454738 /nfs/dbraw/zinc/45/47/38/569454738.db2.gz CCFDXGBFXFVTIP-UHFFFAOYSA-N 0 0 445.654 4.947 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)N1CCCCC1 ZINC000003600243 569454761 /nfs/dbraw/zinc/45/47/61/569454761.db2.gz DEIDWAYSMLDQKV-UHFFFAOYSA-N 0 0 431.627 4.557 50 0 IJAARN O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003608083 569454919 /nfs/dbraw/zinc/45/49/19/569454919.db2.gz VEKPXECHLFLDSZ-UHFFFAOYSA-N 0 0 447.343 4.997 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1C ZINC000003611530 569454989 /nfs/dbraw/zinc/45/49/89/569454989.db2.gz CZIYHPRWPWFPBX-UHFFFAOYSA-N 0 0 436.533 4.665 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000003630242 569455236 /nfs/dbraw/zinc/45/52/36/569455236.db2.gz DGZUHOUTLVVRAP-UHFFFAOYSA-N 0 0 439.899 4.771 50 0 IJAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2 ZINC000003660381 569455910 /nfs/dbraw/zinc/45/59/10/569455910.db2.gz IPHKQIFYQWJQAB-HXUWFJFHSA-N 0 0 443.272 4.674 50 0 IJAARN COc1ccc2oc(=O)c(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1 ZINC000004006682 569458084 /nfs/dbraw/zinc/45/80/84/569458084.db2.gz JQOIEJFZWFPOHV-UHFFFAOYSA-N 0 0 436.533 4.978 50 0 IJAARN CCc1ccc([C@@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004084140 569458750 /nfs/dbraw/zinc/45/87/50/569458750.db2.gz CYCISJJEWYAGFQ-WNLMNSNFSA-N 0 0 429.564 4.560 50 0 biogenic IJAARN O=C1Nc2cccc(Cl)c2[C@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032089560 569459541 /nfs/dbraw/zinc/45/95/41/569459541.db2.gz ZRMSAMFWKNQTIK-LJQANCHMSA-N 0 0 432.789 4.774 50 0 IJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004118318 569459567 /nfs/dbraw/zinc/45/95/67/569459567.db2.gz CJMJSFMXVHEUKW-UHFFFAOYSA-N 0 0 442.876 4.890 50 0 IJAARN CC(C)CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(F)cc2)C1=O ZINC000032104741 569460191 /nfs/dbraw/zinc/46/01/91/569460191.db2.gz NRMINCZIJKZWAZ-QHCPKHFHSA-N 0 0 438.890 4.945 50 0 IJAARN COc1ccccc1-n1c(Cc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000004187248 569460791 /nfs/dbraw/zinc/46/07/91/569460791.db2.gz RYLKDYSWIIXGHD-UHFFFAOYSA-N 0 0 438.597 4.604 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2C)cc1 ZINC000004211460 569460972 /nfs/dbraw/zinc/46/09/72/569460972.db2.gz WVXBCLHGDVFFOC-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000004209146 569460989 /nfs/dbraw/zinc/46/09/89/569460989.db2.gz YFMXRWOIGXCCKS-UHFFFAOYSA-N 0 0 438.336 4.905 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)cc1 ZINC000059489652 569461662 /nfs/dbraw/zinc/46/16/62/569461662.db2.gz RXLYGQWZYXAOFR-UHFFFAOYSA-N 0 0 435.596 4.522 50 0 IJAARN CCCOc1ccc(/C=C/C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 ZINC000004290583 569461876 /nfs/dbraw/zinc/46/18/76/569461876.db2.gz MNXZXMMMDCDCSR-JLHYYAGUSA-N 0 0 445.537 4.851 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H](CCOC(=O)CCC2CCCC2)c2ccccc2)cc1 ZINC000008150652 569462321 /nfs/dbraw/zinc/46/23/21/569462321.db2.gz GPOUAHLIPCZGKQ-QHCPKHFHSA-N 0 0 429.582 4.918 50 0 IJAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1nc2c(s1)CCCC2 ZINC000038488073 569462945 /nfs/dbraw/zinc/46/29/45/569462945.db2.gz BIVQFVUOHYCERY-UHFFFAOYSA-N 0 0 429.592 4.635 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(C)cc2Cl)c3=O)cc1 ZINC000038487081 569462843 /nfs/dbraw/zinc/46/28/43/569462843.db2.gz NWFYJQPORKLEDD-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN COc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000038487237 569462875 /nfs/dbraw/zinc/46/28/75/569462875.db2.gz JMQLTJNZVXEWOC-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NCCCc1ccccc1 ZINC000038487604 569462923 /nfs/dbraw/zinc/46/29/23/569462923.db2.gz WXYXSHFVJKLMHD-UHFFFAOYSA-N 0 0 435.528 4.509 50 0 IJAARN CCN1CCN([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000038546781 569463681 /nfs/dbraw/zinc/46/36/81/569463681.db2.gz NNFDRFSDWBJLMZ-NRFANRHFSA-N 0 0 440.638 4.801 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1nc(-c2ccccc2)cs1 ZINC000008425947 569464173 /nfs/dbraw/zinc/46/41/73/569464173.db2.gz VIDCOVZHVBTXMZ-UHFFFAOYSA-N 0 0 441.512 4.978 50 0 IJAARN Cc1ccc(NC(=O)[C@H](CCC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1C ZINC000008434785 569464301 /nfs/dbraw/zinc/46/43/01/569464301.db2.gz SETSYEAATDYINU-NRFANRHFSA-N 0 0 440.540 4.659 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000067207466 569464731 /nfs/dbraw/zinc/46/47/31/569464731.db2.gz ZCBFENXAXYGBOC-QGZVFWFLSA-N 0 0 443.345 4.759 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237070 569465486 /nfs/dbraw/zinc/46/54/86/569465486.db2.gz KMBIHTJVTRXETQ-UHFFFAOYSA-N 0 0 432.549 4.678 50 0 IJAARN COc1ccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)cc1 ZINC000067260282 569466289 /nfs/dbraw/zinc/46/62/89/569466289.db2.gz OZVIECSSOFPOHU-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261712 569466554 /nfs/dbraw/zinc/46/65/54/569466554.db2.gz KBPMMUKELMAERF-UHFFFAOYSA-N 0 0 442.281 4.705 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c(C)c1 ZINC000038693438 569466722 /nfs/dbraw/zinc/46/67/22/569466722.db2.gz ZVUVXOPDTOOOCI-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN Cc1cccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc43)CC2)c1C ZINC000067287974 569467348 /nfs/dbraw/zinc/46/73/48/569467348.db2.gz UFHZHTQVCLLYIB-UHFFFAOYSA-N 0 0 432.543 4.553 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(Cl)c(C)c3)oc21 ZINC000067294179 569467831 /nfs/dbraw/zinc/46/78/31/569467831.db2.gz JPHOVGARTQANMY-PIHGLKBESA-N 0 0 426.900 4.544 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067294123 569467835 /nfs/dbraw/zinc/46/78/35/569467835.db2.gz LXAMKTZHAHVYTR-PIHGLKBESA-N 0 0 426.900 4.544 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000067294002 569467855 /nfs/dbraw/zinc/46/78/55/569467855.db2.gz DKPMHUQZSQXCKY-LBYPAGOHSA-N 0 0 446.425 4.601 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067294112 569467875 /nfs/dbraw/zinc/46/78/75/569467875.db2.gz AONPJYNFEVTQOS-UYNDQYDWSA-N 0 0 426.900 4.544 50 0 IJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(OC)c2)cc1 ZINC000067297577 569468042 /nfs/dbraw/zinc/46/80/42/569468042.db2.gz DDYKMIQENCDPEO-RFBIWTDZSA-N 0 0 430.460 4.943 50 0 IJAARN COc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc5oc(=O)ccc5c4)ccc3C(=O)O2)cc1 ZINC000067320992 569468633 /nfs/dbraw/zinc/46/86/33/569468633.db2.gz NOCXGHIHBATSAG-HSZRJFAPSA-N 0 0 441.439 4.508 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000008712838 569471053 /nfs/dbraw/zinc/47/10/53/569471053.db2.gz MFOFIFAPUVXWJE-KRWDZBQOSA-N 0 0 436.533 4.718 50 0 IJAARN CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000263587340 569471058 /nfs/dbraw/zinc/47/10/58/569471058.db2.gz FVRVWHQVNVPGEL-IBGZPJMESA-N 0 0 433.508 4.873 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](c3cccs3)c3ccccc3)o2)cc1 ZINC000008718619 569471317 /nfs/dbraw/zinc/47/13/17/569471317.db2.gz PIFZUPAPRHCUHE-FQEVSTJZSA-N 0 0 437.546 4.805 50 0 IJAARN COc1ccc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000008720492 569471600 /nfs/dbraw/zinc/47/16/00/569471600.db2.gz GZYPKFTTWNNRDW-SFHVURJKSA-N 0 0 429.520 4.805 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2)cs1 ZINC000008724370 569472009 /nfs/dbraw/zinc/47/20/09/569472009.db2.gz CMNJVDKVEYZBGY-KRWDZBQOSA-N 0 0 444.603 4.650 50 0 IJAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nnc(-c2cccs2)o1 ZINC000008725666 569472161 /nfs/dbraw/zinc/47/21/61/569472161.db2.gz BBAHXBPCDOQVEG-CYBMUJFWSA-N 0 0 444.513 4.911 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000008726521 569472320 /nfs/dbraw/zinc/47/23/20/569472320.db2.gz AHKBJCPHCZBJCH-UHFFFAOYSA-N 0 0 431.261 4.525 50 0 IJAARN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCC[C@H]3C(N)=O)c2c1C ZINC000008727561 569472362 /nfs/dbraw/zinc/47/23/62/569472362.db2.gz BAQIKVVRRXYXDO-HNNXBMFYSA-N 0 0 433.002 4.708 50 0 IJAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008747105 569473071 /nfs/dbraw/zinc/47/30/71/569473071.db2.gz QZNCHTJBQFIYSO-SFHVURJKSA-N 0 0 444.560 4.662 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000008754942 569473930 /nfs/dbraw/zinc/47/39/30/569473930.db2.gz JAFWZLDITFNXDV-UHFFFAOYSA-N 0 0 438.553 4.654 50 0 IJAARN O=C1C(=O)N(OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000008762909 569474345 /nfs/dbraw/zinc/47/43/45/569474345.db2.gz VFFZWQAVSHITFU-UHFFFAOYSA-N 0 0 448.089 4.723 50 0 IJAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Sc2ccccc2)c1C ZINC000008770792 569475155 /nfs/dbraw/zinc/47/51/55/569475155.db2.gz AWLTVUFHJYZIGC-UHFFFAOYSA-N 0 0 433.577 4.964 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000008788283 569475882 /nfs/dbraw/zinc/47/58/82/569475882.db2.gz KKMGHIDDKOUMNG-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN CCc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000008789851 569475963 /nfs/dbraw/zinc/47/59/63/569475963.db2.gz URJUEIZDCMMAJU-DWACAAAGSA-N 0 0 441.575 4.704 50 0 biogenic IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H](O)c1ccccc1)oc1c3CCCC1 ZINC000008791479 569476228 /nfs/dbraw/zinc/47/62/28/569476228.db2.gz HGEAVJBUVNBTMA-QFIPXVFZSA-N 0 0 445.515 4.509 50 0 biogenic IJAARN CCOC(=O)N1CCN(C(=O)c2cc(Nc3ccc(C)c(C)c3)nc3ccccc32)CC1 ZINC000008814223 569476725 /nfs/dbraw/zinc/47/67/25/569476725.db2.gz QOJCEEVCYZSSER-UHFFFAOYSA-N 0 0 432.524 4.510 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000008815803 569476801 /nfs/dbraw/zinc/47/68/01/569476801.db2.gz YZOMRRGHAKHWLP-SFHVURJKSA-N 0 0 449.510 4.930 50 0 IJAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)nc(N)c32)CO1 ZINC000008817587 569476959 /nfs/dbraw/zinc/47/69/59/569476959.db2.gz IYLYYGXUNSRESB-NRFANRHFSA-N 0 0 428.583 4.554 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852002 569479461 /nfs/dbraw/zinc/47/94/61/569479461.db2.gz FZYBQWIHZOMJND-UHFFFAOYSA-N 0 0 445.541 4.593 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000008852952 569479512 /nfs/dbraw/zinc/47/95/12/569479512.db2.gz VYEWAELPTOFDFR-UHFFFAOYSA-N 0 0 425.579 4.980 50 0 IJAARN COc1cc(CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc(OC)c1 ZINC000008853655 569479572 /nfs/dbraw/zinc/47/95/72/569479572.db2.gz PWCOASMRDFCQPN-OAHLLOKOSA-N 0 0 428.579 4.873 50 0 IJAARN Cc1sc2nc(C)nc(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)c2c1C ZINC000008860894 569479932 /nfs/dbraw/zinc/47/99/32/569479932.db2.gz IVQQPOYGASOVJZ-UHFFFAOYSA-N 0 0 444.973 4.581 50 0 IJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1CCc2ccccc2C1 ZINC000008862528 569480206 /nfs/dbraw/zinc/48/02/06/569480206.db2.gz IPGMSOZPFKNBLZ-MRXNPFEDSA-N 0 0 443.576 4.827 50 0 IJAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000008871053 569480691 /nfs/dbraw/zinc/48/06/91/569480691.db2.gz VCUNPOQRJRPERL-GFCCVEGCSA-N 0 0 439.313 4.874 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccc(Br)cc3c2C)c1C ZINC000008878333 569481276 /nfs/dbraw/zinc/48/12/76/569481276.db2.gz KANRVDLOWOVXFI-UHFFFAOYSA-N 0 0 432.270 4.691 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000039563653 569481768 /nfs/dbraw/zinc/48/17/68/569481768.db2.gz PNKFTGUAYFEAIA-NRFANRHFSA-N 0 0 434.546 4.540 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC000039843999 569481865 /nfs/dbraw/zinc/48/18/65/569481865.db2.gz KTXZKTCXQLQXIK-HZPDHXFCSA-N 0 0 446.956 4.750 50 0 IJAARN NC(=O)N[C@@H](CC(=O)N[C@H]1CCSc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000008881071 569482875 /nfs/dbraw/zinc/48/28/75/569482875.db2.gz COSRVEYEUMZMAU-VXKWHMMOSA-N 0 0 447.560 4.932 50 0 IJAARN COc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)ccc1OC(F)F ZINC000008884438 569483149 /nfs/dbraw/zinc/48/31/49/569483149.db2.gz NHPKFTJWIDQVNN-UHFFFAOYSA-N 0 0 440.613 4.692 50 0 IJAARN COc1ccc(NC(=O)c2nnc(CSc3ccc(Br)cc3)s2)cc1 ZINC000040052124 569484488 /nfs/dbraw/zinc/48/44/88/569484488.db2.gz ADVHFNFMGRIHBT-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN CC1CCC(NC(=O)C2CCN(c3nc4ccc(Br)cc4s3)CC2)CC1 ZINC000008911663 569484923 /nfs/dbraw/zinc/48/49/23/569484923.db2.gz VHUOCXQINGPMOL-UHFFFAOYSA-N 0 0 436.419 4.970 50 0 IJAARN Cc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000008912999 569485134 /nfs/dbraw/zinc/48/51/34/569485134.db2.gz SXMHZBSBHZBCKD-UHFFFAOYSA-N 0 0 431.565 4.737 50 0 IJAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)NCCC2=CCCCC2)c1 ZINC000008913132 569485251 /nfs/dbraw/zinc/48/52/51/569485251.db2.gz UVGVVRMOLVMVAQ-UHFFFAOYSA-N 0 0 436.581 4.739 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000008916925 569485845 /nfs/dbraw/zinc/48/58/45/569485845.db2.gz URPZDSQDWNQXNY-UHFFFAOYSA-N 0 0 437.908 4.509 50 0 IJAARN O=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000008917338 569486010 /nfs/dbraw/zinc/48/60/10/569486010.db2.gz SBSWNXVPUFTAJJ-LLVKDONJSA-N 0 0 444.361 4.631 50 0 IJAARN O=C(CCOc1ccccc1-c1ccccc1)NCc1ccccc1CN1CCCC1=O ZINC000040082255 569486661 /nfs/dbraw/zinc/48/66/61/569486661.db2.gz KOXRCNUHMLXREY-UHFFFAOYSA-N 0 0 428.532 4.561 50 0 IJAARN COc1ccccc1C(=O)C[C@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2C)C1=O ZINC000008922638 569486934 /nfs/dbraw/zinc/48/69/34/569486934.db2.gz OCDOEEVDRSDHNW-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000008923003 569487010 /nfs/dbraw/zinc/48/70/10/569487010.db2.gz DUVBTSXVCLWYQJ-UNMCSNQZSA-N 0 0 447.608 4.662 50 0 IJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000008932719 569487683 /nfs/dbraw/zinc/48/76/83/569487683.db2.gz QLSLBTSCDCYCOE-UHFFFAOYSA-N 0 0 436.552 4.857 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000008942103 569488662 /nfs/dbraw/zinc/48/86/62/569488662.db2.gz AOWLWVQSVNNLSB-OLZOCXBDSA-N 0 0 431.587 4.820 50 0 IJAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2CC(C)C)sc1C ZINC000008946164 569489085 /nfs/dbraw/zinc/48/90/85/569489085.db2.gz ZYHNHDNLKMDECS-INIZCTEOSA-N 0 0 429.615 4.718 50 0 IJAARN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000040123008 569489727 /nfs/dbraw/zinc/48/97/27/569489727.db2.gz QYCAEOCBSQBSEZ-AWEZNQCLSA-N 0 0 439.375 4.569 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)Cn3c(=O)sc(C)c3-c3ccc(F)cc3)n2)o1 ZINC000040129627 569489808 /nfs/dbraw/zinc/48/98/08/569489808.db2.gz LDFWQTMNXONWED-UHFFFAOYSA-N 0 0 429.498 4.688 50 0 IJAARN Cc1c(C(=O)Nc2ccc(I)cc2Cl)oc2c1C(=O)CCC2 ZINC000040134084 569490525 /nfs/dbraw/zinc/49/05/25/569490525.db2.gz QZAVWTCOVHPJMU-UHFFFAOYSA-N 0 0 429.641 4.617 50 0 IJAARN Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o2)c1C(=O)N1CCCC1 ZINC000040142207 569491845 /nfs/dbraw/zinc/49/18/45/569491845.db2.gz YVULDJQRBLLXAA-UHFFFAOYSA-N 0 0 427.298 4.992 50 0 IJAARN O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000040150670 569493247 /nfs/dbraw/zinc/49/32/47/569493247.db2.gz DEQCNEUVFZUTJZ-UHFFFAOYSA-N 0 0 448.523 4.921 50 0 IJAARN COc1cccc(-c2nc(C(=O)N3CCC(c4c[nH]c5ncccc45)CC3)cs2)c1OC ZINC000040151754 569493347 /nfs/dbraw/zinc/49/33/47/569493347.db2.gz NJGVGECNJHTHTM-UHFFFAOYSA-N 0 0 448.548 4.723 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCCc1c[nH]nc1C(F)(F)F ZINC000040157153 569494232 /nfs/dbraw/zinc/49/42/32/569494232.db2.gz UQVCICPCEINPTH-UHFFFAOYSA-N 0 0 425.432 4.725 50 0 IJAARN CC(=O)Nc1cccc(CN2C(=O)[C@H](Oc3ccccc3F)[C@@H]2c2cc(F)ccc2F)c1 ZINC000040157773 569494357 /nfs/dbraw/zinc/49/43/57/569494357.db2.gz XSRYKYCMQKYMQB-XZOQPEGZSA-N 0 0 440.421 4.593 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc(SCc3cc(Cl)nc(Cl)c3)n2N)cc1 ZINC000040157824 569494370 /nfs/dbraw/zinc/49/43/70/569494370.db2.gz QEUPQCPRAZBCAA-UHFFFAOYSA-N 0 0 438.384 4.863 50 0 IJAARN C[C@H](COc1ccccc1)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008983387 569494668 /nfs/dbraw/zinc/49/46/68/569494668.db2.gz HSEMBEHQNRVZQW-BEXDPUPVSA-N 0 0 442.540 4.551 50 0 IJAARN Cc1cc(C)nc(SCc2nc3cc(NC(=O)CCc4ccccc4)ccc3n2C)n1 ZINC000008991285 569495240 /nfs/dbraw/zinc/49/52/40/569495240.db2.gz WQGOPFRCQWBIOU-UHFFFAOYSA-N 0 0 431.565 4.844 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000008992588 569495382 /nfs/dbraw/zinc/49/53/82/569495382.db2.gz FMQQYRAJDDQIOR-MRXNPFEDSA-N 0 0 431.414 4.557 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Sc1nc2ccccc2s1)C(F)(F)F ZINC000009034161 569497281 /nfs/dbraw/zinc/49/72/81/569497281.db2.gz QTTIOZYHRKJWEQ-SFHVURJKSA-N 0 0 440.468 4.640 50 0 IJAARN CCOc1ccc(N2C[C@H](CNC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000009039742 569497487 /nfs/dbraw/zinc/49/74/87/569497487.db2.gz PWJTZGDVFMHOLM-FQEVSTJZSA-N 0 0 443.547 4.527 50 0 IJAARN O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccc(O)cc1 ZINC000009043803 569497904 /nfs/dbraw/zinc/49/79/04/569497904.db2.gz SLRHVYJUCLGAGS-LFYBBSHMSA-N 0 0 435.277 4.730 50 0 IJAARN C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009056725 569499117 /nfs/dbraw/zinc/49/91/17/569499117.db2.gz NLUXEPAXRRLUMX-HNNXBMFYSA-N 0 0 431.517 4.809 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)Nc1ccc(OCc2ccccc2)cc1 ZINC000009056806 569499134 /nfs/dbraw/zinc/49/91/34/569499134.db2.gz PEDFEPPSLRWHSD-UHFFFAOYSA-N 0 0 434.496 4.716 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(-c4cccs4)n3)[C@H](c3ccco3)C2)cc1 ZINC000009056829 569499137 /nfs/dbraw/zinc/49/91/37/569499137.db2.gz IRNMSRHFUYRLPD-KRWDZBQOSA-N 0 0 449.561 4.905 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009058191 569499200 /nfs/dbraw/zinc/49/92/00/569499200.db2.gz VMSJVLTWUOGQGK-UHFFFAOYSA-N 0 0 446.410 4.546 50 0 IJAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000009073176 569500195 /nfs/dbraw/zinc/50/01/95/569500195.db2.gz YQQRWCGHSRJUCB-GOSISDBHSA-N 0 0 439.968 4.828 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2)cs1 ZINC000009076674 569500369 /nfs/dbraw/zinc/50/03/69/569500369.db2.gz AEXHXLJWMAVMBW-QGZVFWFLSA-N 0 0 425.941 4.759 50 0 IJAARN CNC(=S)c1c(-c2ccccc2)c2c3n(c(CNc4ccc(F)cc4)nn13)CCCC2 ZINC000009090615 569501048 /nfs/dbraw/zinc/50/10/48/569501048.db2.gz RNSCZODFSDYVBS-UHFFFAOYSA-N 0 0 433.556 4.785 50 0 IJAARN O=C(NCc1cccs1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101700 569501776 /nfs/dbraw/zinc/50/17/76/569501776.db2.gz GDTXISBJOJFCJZ-UHFFFAOYSA-N 0 0 439.487 4.780 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)n1-c1ccccc1 ZINC000009111831 569502316 /nfs/dbraw/zinc/50/23/16/569502316.db2.gz DJOWWURPHVKBEU-RBUKOAKNSA-N 0 0 436.581 4.967 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)n1-c1ccccc1 ZINC000009111833 569502335 /nfs/dbraw/zinc/50/23/35/569502335.db2.gz DJOWWURPHVKBEU-OALUTQOASA-N 0 0 436.581 4.967 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000009115653 569502794 /nfs/dbraw/zinc/50/27/94/569502794.db2.gz GRPQTSADTYCORX-LJAQVGFWSA-N 0 0 431.897 4.670 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)cc1 ZINC000009116913 569503032 /nfs/dbraw/zinc/50/30/32/569503032.db2.gz FVSNWYXIMLYZAF-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(F)cc1 ZINC000009118321 569503251 /nfs/dbraw/zinc/50/32/51/569503251.db2.gz YFOBVBKBIGZDSJ-UHFFFAOYSA-N 0 0 425.529 4.524 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1c[nH]c2ccccc12 ZINC000009120290 569503833 /nfs/dbraw/zinc/50/38/33/569503833.db2.gz INBBHQCRENTNCI-UHFFFAOYSA-N 0 0 429.476 4.981 50 0 IJAARN O=C(COc1ncnc2sccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009120627 569504000 /nfs/dbraw/zinc/50/40/00/569504000.db2.gz LFWCGJQPUHEMCT-QGZVFWFLSA-N 0 0 438.896 4.694 50 0 IJAARN CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000009125949 569504743 /nfs/dbraw/zinc/50/47/43/569504743.db2.gz QEVBWBLTJGOEQA-LIRRHRJNSA-N 0 0 441.622 4.524 50 0 IJAARN CCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC000009126228 569504885 /nfs/dbraw/zinc/50/48/85/569504885.db2.gz KJIARKFHSBAYOM-SFHVURJKSA-N 0 0 430.570 4.599 50 0 IJAARN Cc1cn2cc(NC(=O)Cc3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3C)ccc2n1 ZINC000069443543 569506544 /nfs/dbraw/zinc/50/65/44/569506544.db2.gz PUGMWHQQSNNTAL-UHFFFAOYSA-N 0 0 428.323 4.933 50 0 IJAARN COc1ccc(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1OC ZINC000009134430 569507066 /nfs/dbraw/zinc/50/70/66/569507066.db2.gz KSYGRTOCCPSYRA-UHFFFAOYSA-N 0 0 443.499 4.758 50 0 IJAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCc1ccccn1 ZINC000009139522 569507207 /nfs/dbraw/zinc/50/72/07/569507207.db2.gz VFJFQKSDHNHDGP-VWLOTQADSA-N 0 0 426.545 4.751 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1ccc(Cl)cc1)n2C ZINC000009153618 569508144 /nfs/dbraw/zinc/50/81/44/569508144.db2.gz WTMFQDDUABWRRR-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1C ZINC000009169385 569509238 /nfs/dbraw/zinc/50/92/38/569509238.db2.gz UVAMRRUQXOOBQC-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC)C(=O)C(C)(C)CO3)cc1 ZINC000009171815 569509440 /nfs/dbraw/zinc/50/94/40/569509440.db2.gz UUOCYKCCWOQRMX-UHFFFAOYSA-N 0 0 430.570 4.602 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009172498 569509555 /nfs/dbraw/zinc/50/95/55/569509555.db2.gz WEBMTEHJLHNZBV-UHFFFAOYSA-N 0 0 444.597 4.820 50 0 IJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)OCc3cn(-c4ccccc4)nn3)cc2)o1 ZINC000069618825 569509842 /nfs/dbraw/zinc/50/98/42/569509842.db2.gz URLGAMUITZDTJF-UHFFFAOYSA-N 0 0 437.459 4.650 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 ZINC000009183905 569509891 /nfs/dbraw/zinc/50/98/91/569509891.db2.gz RYLCXOWPWSGPFI-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CC(C)COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009190703 569510593 /nfs/dbraw/zinc/51/05/93/569510593.db2.gz OVFOCFRYPMGKMH-HSZRJFAPSA-N 0 0 443.609 4.674 50 0 IJAARN Cn1c(SCC(=O)NCc2c(F)cccc2Cl)nnc1-c1ccc2c(c1)CCCC2 ZINC000009193292 569510884 /nfs/dbraw/zinc/51/08/84/569510884.db2.gz BHNJUYPGNINVRO-UHFFFAOYSA-N 0 0 444.963 4.562 50 0 IJAARN COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000009205170 569511352 /nfs/dbraw/zinc/51/13/52/569511352.db2.gz FWFDBXYTVUBAKW-HNNXBMFYSA-N 0 0 425.485 4.592 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nncn2-c2ccccc2)c1 ZINC000009207638 569511449 /nfs/dbraw/zinc/51/14/49/569511449.db2.gz MREGPRZPIQQZGS-UHFFFAOYSA-N 0 0 443.532 4.559 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000009210282 569511606 /nfs/dbraw/zinc/51/16/06/569511606.db2.gz ZBPSKDXLTYZFEI-LJQANCHMSA-N 0 0 427.504 4.644 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009218075 569512388 /nfs/dbraw/zinc/51/23/88/569512388.db2.gz VKEZAMPQFMZIOO-SQJMNOBHSA-N 0 0 430.552 4.602 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)c1C ZINC000009218793 569512458 /nfs/dbraw/zinc/51/24/58/569512458.db2.gz MYSWCEDYHNJRAW-SNVBAGLBSA-N 0 0 441.340 4.521 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000009222119 569512672 /nfs/dbraw/zinc/51/26/72/569512672.db2.gz ACBJGCBNCUQXCB-UHFFFAOYSA-N 0 0 426.567 4.522 50 0 IJAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000009227483 569513398 /nfs/dbraw/zinc/51/33/98/569513398.db2.gz HBXVFEOFJRNJEC-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000009237180 569514178 /nfs/dbraw/zinc/51/41/78/569514178.db2.gz FGMDXZWIBYWVEE-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1C ZINC000009238259 569514263 /nfs/dbraw/zinc/51/42/63/569514263.db2.gz DASANNYKMLNWFL-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239569 569514549 /nfs/dbraw/zinc/51/45/49/569514549.db2.gz WWWPBXUYFAKFAA-ROUUACIJSA-N 0 0 447.486 4.647 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000009245070 569515204 /nfs/dbraw/zinc/51/52/04/569515204.db2.gz NXJCHKFRXSMROG-UHFFFAOYSA-N 0 0 434.389 4.994 50 0 IJAARN COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(C4CCCCC4)cc3)C2=O)cc1 ZINC000009245029 569515240 /nfs/dbraw/zinc/51/52/40/569515240.db2.gz TVCSPEMLWOXZTI-MHZLTWQESA-N 0 0 448.563 4.869 50 0 IJAARN Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OC(C)C)cc1 ZINC000009249859 569515548 /nfs/dbraw/zinc/51/55/48/569515548.db2.gz DRBCHLFQMWSXGA-FQEVSTJZSA-N 0 0 449.576 4.642 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 ZINC000009250117 569515643 /nfs/dbraw/zinc/51/56/43/569515643.db2.gz HKCPSZGHEZNVAL-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN CN(c1nnc(NC(=O)Nc2ccc(Br)cc2F)s1)C1CCCCC1 ZINC000009251171 569515818 /nfs/dbraw/zinc/51/58/18/569515818.db2.gz CFIXNYTVQSYYLX-UHFFFAOYSA-N 0 0 428.331 4.853 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccccc1N1CCCC1 ZINC000009253602 569516179 /nfs/dbraw/zinc/51/61/79/569516179.db2.gz XJIRZNQXBBEQQY-UHFFFAOYSA-N 0 0 448.523 4.503 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)s2)c1 ZINC000009257736 569516911 /nfs/dbraw/zinc/51/69/11/569516911.db2.gz DADSPGWCWORQLL-UHFFFAOYSA-N 0 0 433.577 4.842 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000009267907 569517499 /nfs/dbraw/zinc/51/74/99/569517499.db2.gz UOJGCLICLDUZLJ-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3ccccc3OC)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274780 569518250 /nfs/dbraw/zinc/51/82/50/569518250.db2.gz AMMSZLMYCCGXIH-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009282669 569518673 /nfs/dbraw/zinc/51/86/73/569518673.db2.gz IOPFLZMNLOVWCD-QHCPKHFHSA-N 0 0 426.472 4.872 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009282668 569518674 /nfs/dbraw/zinc/51/86/74/569518674.db2.gz IOPFLZMNLOVWCD-HSZRJFAPSA-N 0 0 426.472 4.872 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O ZINC000009283217 569518859 /nfs/dbraw/zinc/51/88/59/569518859.db2.gz VWVKLLGINABUHQ-UHFFFAOYSA-N 0 0 433.577 4.793 50 0 IJAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000009284623 569519137 /nfs/dbraw/zinc/51/91/37/569519137.db2.gz RIKLJSXSNZXVAC-ZDUSSCGKSA-N 0 0 444.509 4.525 50 0 IJAARN COc1ccc(CNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1OC ZINC000009285773 569519177 /nfs/dbraw/zinc/51/91/77/569519177.db2.gz MSGWUZHYPWJVAB-UHFFFAOYSA-N 0 0 435.307 4.562 50 0 IJAARN C=C1C(N[C@H]2CCCc3ccccc32)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009286619 569519279 /nfs/dbraw/zinc/51/92/79/569519279.db2.gz XDCQUKYNPSSKQH-SFHVURJKSA-N 0 0 431.355 4.589 50 0 IJAARN COc1ccccc1/C=C/C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 ZINC000009288820 569519407 /nfs/dbraw/zinc/51/94/07/569519407.db2.gz VVKDJVRVTMIINY-JLHYYAGUSA-N 0 0 445.910 4.968 50 0 IJAARN CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289474 569519579 /nfs/dbraw/zinc/51/95/79/569519579.db2.gz ZGWXIOSIFWRAMF-FQEVSTJZSA-N 0 0 449.576 4.974 50 0 IJAARN CC(C)Cc1noc(CN2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069815120 569519823 /nfs/dbraw/zinc/51/98/23/569519823.db2.gz RRMFOIYVMHAEHE-KRWDZBQOSA-N 0 0 427.936 4.741 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Cl)c3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 ZINC000009291373 569519827 /nfs/dbraw/zinc/51/98/27/569519827.db2.gz LFLPEGFPVWIPBS-XZOQPEGZSA-N 0 0 427.895 4.848 50 0 IJAARN O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069815429 569519837 /nfs/dbraw/zinc/51/98/37/569519837.db2.gz PNWRIIFFLADSOR-IBGZPJMESA-N 0 0 432.490 4.797 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@H](O)c1ccccc1 ZINC000009292416 569520026 /nfs/dbraw/zinc/52/00/26/569520026.db2.gz AEHPWXWXVIHMOO-UGKGYDQZSA-N 0 0 431.875 4.725 50 0 IJAARN CC(C)c1noc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069877250 569522556 /nfs/dbraw/zinc/52/25/56/569522556.db2.gz ZXMCTXVACPEDRA-OAQYLSRUSA-N 0 0 425.577 4.882 50 0 IJAARN COC(=O)Nc1c(-c2ccccc2)nc2c(Br)cc(Br)cn12 ZINC000009327437 569522768 /nfs/dbraw/zinc/52/27/68/569522768.db2.gz RWMNIAMNPSWQDI-UHFFFAOYSA-N 0 0 425.080 4.705 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2cn4cccnc4n2)n1-c1ccccc1)CCCC3 ZINC000009335426 569523322 /nfs/dbraw/zinc/52/33/22/569523322.db2.gz XOZZZUDBGBRPDE-UHFFFAOYSA-N 0 0 445.573 4.661 50 0 IJAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009348856 569524595 /nfs/dbraw/zinc/52/45/95/569524595.db2.gz KFVIWBDZPNJCRU-FQEVSTJZSA-N 0 0 431.517 4.869 50 0 IJAARN O=C1Nc2ccccc2[C@@]12Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009354862 569525089 /nfs/dbraw/zinc/52/50/89/569525089.db2.gz HYHBZIOSMUDMLX-NZQKXSOJSA-N 0 0 446.304 4.798 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)sc2c1 ZINC000009367295 569526409 /nfs/dbraw/zinc/52/64/09/569526409.db2.gz PKBRYPVALZKAEQ-HOTGVXAUSA-N 0 0 443.594 4.524 50 0 IJAARN COc1ccc(-c2nnc3sc(NC(=O)C(c4ccccc4)c4ccccc4)nn32)cc1 ZINC000041076462 569526453 /nfs/dbraw/zinc/52/64/53/569526453.db2.gz AMHKAJRSBLXSJP-UHFFFAOYSA-N 0 0 441.516 4.632 50 0 IJAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000009368020 569526530 /nfs/dbraw/zinc/52/65/30/569526530.db2.gz YJCYYNQMNKBWKC-UHFFFAOYSA-N 0 0 449.642 4.577 50 0 IJAARN C[C@H](NC(=O)COc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O)c1ccccc1 ZINC000009377315 569527473 /nfs/dbraw/zinc/52/74/73/569527473.db2.gz ORLRNQBWIVNVBO-INIZCTEOSA-N 0 0 433.435 4.981 50 0 IJAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OCC ZINC000009390492 569528679 /nfs/dbraw/zinc/52/86/79/569528679.db2.gz QVUQMXJXJRCBSF-UHFFFAOYSA-N 0 0 425.510 4.818 50 0 IJAARN Cc1ccc(CSc2nc3nccnc3c(=O)n2CCc2c[nH]c3ccccc23)cc1 ZINC000009405272 569529827 /nfs/dbraw/zinc/52/98/27/569529827.db2.gz PXWYYLYSUCVUFK-UHFFFAOYSA-N 0 0 427.533 4.511 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407520 569530241 /nfs/dbraw/zinc/53/02/41/569530241.db2.gz HFAFPERJYJONNA-UHFFFAOYSA-N 0 0 433.938 4.925 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408909 569530694 /nfs/dbraw/zinc/53/06/94/569530694.db2.gz XNARGZFWVCNTQI-MHECFPHRSA-N 0 0 431.536 4.804 50 0 IJAARN CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009408912 569530748 /nfs/dbraw/zinc/53/07/48/569530748.db2.gz XNARGZFWVCNTQI-KOSHJBKYSA-N 0 0 431.536 4.804 50 0 IJAARN CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)c1 ZINC000009409078 569530854 /nfs/dbraw/zinc/53/08/54/569530854.db2.gz PVMUFGLQKRQVRM-VWLOTQADSA-N 0 0 449.551 4.933 50 0 IJAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1 ZINC000009409124 569530872 /nfs/dbraw/zinc/53/08/72/569530872.db2.gz VFEVQDXACMLVAQ-DEOSSOPVSA-N 0 0 435.524 4.541 50 0 IJAARN Cc1c(O)ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc12 ZINC000009410112 569531273 /nfs/dbraw/zinc/53/12/73/569531273.db2.gz DTUFWOMOIQMVSR-UHFFFAOYSA-N 0 0 438.911 4.542 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N=c1[nH]c2ccccc2[nH]1)occ3-c1ccccc1 ZINC000009410839 569531437 /nfs/dbraw/zinc/53/14/37/569531437.db2.gz HQVUTUDOKAVWNT-UHFFFAOYSA-N 0 0 449.466 4.994 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3ccccc31)CCCCC2 ZINC000009414640 569532059 /nfs/dbraw/zinc/53/20/59/569532059.db2.gz KWXIPPOGZFLCKT-UHFFFAOYSA-N 0 0 441.578 4.868 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccco2)c1 ZINC000009414739 569532060 /nfs/dbraw/zinc/53/20/60/569532060.db2.gz KERYGVSRHMVWGG-UHFFFAOYSA-N 0 0 430.533 4.576 50 0 IJAARN CCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)cc1 ZINC000009414876 569532068 /nfs/dbraw/zinc/53/20/68/569532068.db2.gz UIEQIERFVCNCBM-UHFFFAOYSA-N 0 0 439.928 4.574 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ncnc3ccccc31)CCCC2 ZINC000009414629 569532077 /nfs/dbraw/zinc/53/20/77/569532077.db2.gz PUZGKZPPOZYDLF-ZDUSSCGKSA-N 0 0 441.578 4.866 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)cc2NC1=O ZINC000009417491 569532398 /nfs/dbraw/zinc/53/23/98/569532398.db2.gz FEDSKVZUWRVKPJ-KRWDZBQOSA-N 0 0 438.487 4.570 50 0 IJAARN Cc1c(C)n(Cc2ccccn2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000009420008 569532586 /nfs/dbraw/zinc/53/25/86/569532586.db2.gz HCRUCNMZNREFOV-UHFFFAOYSA-N 0 0 433.313 4.569 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000009425548 569533236 /nfs/dbraw/zinc/53/32/36/569533236.db2.gz MKJBBPJGUOMKPU-MRXNPFEDSA-N 0 0 444.940 4.926 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc21 ZINC000009427506 569533363 /nfs/dbraw/zinc/53/33/63/569533363.db2.gz PNNLPQWVBYWCJR-AWEZNQCLSA-N 0 0 443.594 4.586 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2c(C)c1 ZINC000009427636 569533445 /nfs/dbraw/zinc/53/34/45/569533445.db2.gz ZDQLCUYZXHMWIK-INIZCTEOSA-N 0 0 443.594 4.729 50 0 IJAARN Cc1cc2oc(=O)c(CC(=O)NC[C@@H](O)c3ccccc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000009429155 569533680 /nfs/dbraw/zinc/53/36/80/569533680.db2.gz PNLSEFINMYJUSQ-HXUWFJFHSA-N 0 0 447.531 4.846 50 0 IJAARN Cc1ccc(-n2ncc3c4nc(CSc5nc6ccccc6s5)nn4cnc32)cc1C ZINC000009431270 569534094 /nfs/dbraw/zinc/53/40/94/569534094.db2.gz GAASQIOFGXHYKQ-UHFFFAOYSA-N 0 0 443.561 4.982 50 0 IJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000009432022 569534350 /nfs/dbraw/zinc/53/43/50/569534350.db2.gz OFSPTIZNBJFQIP-KXBFYZLASA-N 0 0 431.558 4.520 50 0 IJAARN COc1cccc(-n2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3c2=O)c1 ZINC000009438678 569534951 /nfs/dbraw/zinc/53/49/51/569534951.db2.gz MWGQJVHPWWCUTF-UHFFFAOYSA-N 0 0 434.879 4.914 50 0 IJAARN CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)NCc1ccco1 ZINC000009440173 569535222 /nfs/dbraw/zinc/53/52/22/569535222.db2.gz NCHQFVSEJJKLSE-UHFFFAOYSA-N 0 0 446.548 4.578 50 0 IJAARN COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1NC(=O)CCC1CCCC1 ZINC000009441834 569535452 /nfs/dbraw/zinc/53/54/52/569535452.db2.gz CCDRGWGBNJGJPH-UHFFFAOYSA-N 0 0 440.540 4.551 50 0 IJAARN CCc1nnc(SCC(=O)Nc2cc(OC)cc(OC)c2)c2cc3sc(C)cc3n21 ZINC000009442257 569535461 /nfs/dbraw/zinc/53/54/61/569535461.db2.gz USFMNEXJELLZLC-UHFFFAOYSA-N 0 0 442.566 4.563 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000009443207 569535690 /nfs/dbraw/zinc/53/56/90/569535690.db2.gz HJKKMGHLCARCIM-INIZCTEOSA-N 0 0 441.356 4.573 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)[C@H]3c1ccccc1 ZINC000009448721 569536106 /nfs/dbraw/zinc/53/61/06/569536106.db2.gz QAQVYRBFSOKMMG-LJQANCHMSA-N 0 0 428.883 4.866 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(Cl)cn3)c2oc1-c1ccccc1 ZINC000009459332 569536838 /nfs/dbraw/zinc/53/68/38/569536838.db2.gz RKGHRHYSOINXDJ-UHFFFAOYSA-N 0 0 448.862 4.612 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009460361 569536979 /nfs/dbraw/zinc/53/69/79/569536979.db2.gz SVFAUPUGFRELEA-UHFFFAOYSA-N 0 0 428.488 4.821 50 0 IJAARN C[C@@H]1C[C@H](Sc2nnc(-c3ccccc3Br)n2Cc2ccccc2)C(=O)O1 ZINC000009460276 569536980 /nfs/dbraw/zinc/53/69/80/569536980.db2.gz AXQNEQICQSWDJY-DYVFJYSZSA-N 0 0 444.354 4.552 50 0 IJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009464275 569537627 /nfs/dbraw/zinc/53/76/27/569537627.db2.gz NNZTYFWJHFEKOI-UHFFFAOYSA-N 0 0 436.515 4.743 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000009464989 569537847 /nfs/dbraw/zinc/53/78/47/569537847.db2.gz KYQFTFAWZQRYGI-QHCPKHFHSA-N 0 0 435.911 4.776 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)nc(=O)c2c1C ZINC000009466056 569538124 /nfs/dbraw/zinc/53/81/24/569538124.db2.gz VGFCWRBZIIZLRR-AWEZNQCLSA-N 0 0 437.594 4.972 50 0 IJAARN CCOc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000009466061 569538140 /nfs/dbraw/zinc/53/81/40/569538140.db2.gz IEWPVEGUNJMYKN-UHFFFAOYSA-N 0 0 438.487 4.912 50 0 IJAARN OCCn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccc(Cl)cc21 ZINC000009466428 569538219 /nfs/dbraw/zinc/53/82/19/569538219.db2.gz JNVMAQVHMYJVND-UHFFFAOYSA-N 0 0 426.973 4.671 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000009469919 569538871 /nfs/dbraw/zinc/53/88/71/569538871.db2.gz XAQFMYMJBJJQLN-UHFFFAOYSA-N 0 0 434.521 4.923 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1nc(-c2ccccc2)cs1 ZINC000009471193 569538921 /nfs/dbraw/zinc/53/89/21/569538921.db2.gz ZLGFMELNJMHEQX-UHFFFAOYSA-N 0 0 433.562 4.999 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000009474794 569539023 /nfs/dbraw/zinc/53/90/23/569539023.db2.gz OPDBDCZZAGCSNG-UHFFFAOYSA-N 0 0 427.938 4.530 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)ccc12 ZINC000009477834 569539255 /nfs/dbraw/zinc/53/92/55/569539255.db2.gz QLKHYXRYPVKFFR-RUZDIDTESA-N 0 0 431.513 4.716 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009488211 569539867 /nfs/dbraw/zinc/53/98/67/569539867.db2.gz ZXMBUQSIMLGMPT-FQEVSTJZSA-N 0 0 436.851 4.810 50 0 IJAARN COC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000009491546 569540393 /nfs/dbraw/zinc/54/03/93/569540393.db2.gz DUUUBRNEFHOZIL-KRWDZBQOSA-N 0 0 444.645 4.991 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Br)ccc1OC ZINC000009496089 569541172 /nfs/dbraw/zinc/54/11/72/569541172.db2.gz GMEXCAKYTVBNEF-IBGZPJMESA-N 0 0 442.313 4.659 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009500732 569541541 /nfs/dbraw/zinc/54/15/41/569541541.db2.gz JHNKJIATOJIWSR-AWEZNQCLSA-N 0 0 426.548 4.816 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000009500570 569541556 /nfs/dbraw/zinc/54/15/56/569541556.db2.gz VZEPYHHUAMTCLE-UHFFFAOYSA-N 0 0 436.537 4.903 50 0 IJAARN Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3CCc4ccccc4C3)c(=O)c3ccccc32)c1 ZINC000009503109 569541723 /nfs/dbraw/zinc/54/17/23/569541723.db2.gz WMEVJTPRHSXXOB-FQEVSTJZSA-N 0 0 437.543 4.826 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NCc1ccc(F)cc1 ZINC000009507981 569542212 /nfs/dbraw/zinc/54/22/12/569542212.db2.gz SPICXRIPXTZLCQ-UHFFFAOYSA-N 0 0 444.601 4.983 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000009509088 569542478 /nfs/dbraw/zinc/54/24/78/569542478.db2.gz LPAPDSUGVZWHHQ-YOEHRIQHSA-N 0 0 440.594 4.965 50 0 IJAARN COc1ccc(N=C2NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)cc1OC ZINC000009509963 569542668 /nfs/dbraw/zinc/54/26/68/569542668.db2.gz WKKJVVGVVFHFRG-UHFFFAOYSA-N 0 0 426.542 4.607 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009512060 569542873 /nfs/dbraw/zinc/54/28/73/569542873.db2.gz KEGFWYZZECOXIF-UHFFFAOYSA-N 0 0 445.573 4.725 50 0 IJAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccc2ccccc2c1 ZINC000009513136 569543069 /nfs/dbraw/zinc/54/30/69/569543069.db2.gz UWANJMQKADTHLX-MUUNZHRXSA-N 0 0 434.495 4.713 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(NC(C)=O)c1 ZINC000009513960 569543126 /nfs/dbraw/zinc/54/31/26/569543126.db2.gz PWJRUDIXVMXRLY-UHFFFAOYSA-N 0 0 438.549 4.956 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000009517731 569543800 /nfs/dbraw/zinc/54/38/00/569543800.db2.gz YQAQAMIBPWTOCW-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)c1ccccc1F ZINC000009518509 569544135 /nfs/dbraw/zinc/54/41/35/569544135.db2.gz DMQICICKHXXPII-UHFFFAOYSA-N 0 0 432.407 4.848 50 0 IJAARN O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000009531896 569545218 /nfs/dbraw/zinc/54/52/18/569545218.db2.gz HPDUCZFKPPYAHM-UHFFFAOYSA-N 0 0 437.952 4.864 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)n(-c3ccccc3)n2)cc1 ZINC000009531903 569545251 /nfs/dbraw/zinc/54/52/51/569545251.db2.gz PIELTRUBKSIBNV-UHFFFAOYSA-N 0 0 431.521 4.839 50 0 IJAARN COc1ccc2c(C[NH2+]CCc3ccccc3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000009532504 569545389 /nfs/dbraw/zinc/54/53/89/569545389.db2.gz MRZOWFKWKNFQLC-UHFFFAOYSA-N 0 0 432.495 4.868 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 ZINC000009540087 569545738 /nfs/dbraw/zinc/54/57/38/569545738.db2.gz FMUMQLXFNZWURM-INIZCTEOSA-N 0 0 441.356 4.573 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)c1 ZINC000009547477 569546388 /nfs/dbraw/zinc/54/63/88/569546388.db2.gz JZJPYXGJJODCHZ-UHFFFAOYSA-N 0 0 442.471 4.744 50 0 biogenic IJAARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)ccc21 ZINC000009548905 569546542 /nfs/dbraw/zinc/54/65/42/569546542.db2.gz KMJDLWJOQBINTE-UHFFFAOYSA-N 0 0 449.557 4.538 50 0 IJAARN COCCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000009548937 569546570 /nfs/dbraw/zinc/54/65/70/569546570.db2.gz GJZRJDDPDXZLAR-UHFFFAOYSA-N 0 0 444.988 4.983 50 0 IJAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009559617 569547011 /nfs/dbraw/zinc/54/70/11/569547011.db2.gz XUEUQJBPCWJOMQ-RPWUZVMVSA-N 0 0 425.488 4.726 50 0 IJAARN COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000009559616 569547013 /nfs/dbraw/zinc/54/70/13/569547013.db2.gz XUEUQJBPCWJOMQ-DNQXCXABSA-N 0 0 425.488 4.726 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2nc3ccccc3n3cnnc23)c1 ZINC000009561368 569547128 /nfs/dbraw/zinc/54/71/28/569547128.db2.gz FHJRUJLVXULHTG-UHFFFAOYSA-N 0 0 442.910 4.647 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccccc1CSc1nnnn1-c1ccccc1 ZINC000009561789 569547145 /nfs/dbraw/zinc/54/71/45/569547145.db2.gz AGEVAJCYFBVEAU-UHFFFAOYSA-N 0 0 435.940 4.538 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000009561829 569547146 /nfs/dbraw/zinc/54/71/46/569547146.db2.gz WCRRKHLLIYNOKA-UHFFFAOYSA-N 0 0 439.943 4.922 50 0 IJAARN CCC[C@H](C)NC(=O)Cn1c2ccccc2nc1[C@@H](CC(C)C)NC(=O)c1ccccc1 ZINC000009562808 569547317 /nfs/dbraw/zinc/54/73/17/569547317.db2.gz MYEHDGAIXSGQCO-SIKLNZKXSA-N 0 0 434.584 4.858 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCCc1csc(-c2ccc(F)cc2)n1 ZINC000009569533 569547582 /nfs/dbraw/zinc/54/75/82/569547582.db2.gz FLTNGZBNYBRZJP-UHFFFAOYSA-N 0 0 425.312 4.994 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)n1 ZINC000009573434 569547911 /nfs/dbraw/zinc/54/79/11/569547911.db2.gz XVIQGNATNBTUGG-UHFFFAOYSA-N 0 0 435.528 4.644 50 0 IJAARN COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCCC4)nn3)s2)c1 ZINC000009578004 569548298 /nfs/dbraw/zinc/54/82/98/569548298.db2.gz VNMXRJYOONODNR-UHFFFAOYSA-N 0 0 440.594 4.689 50 0 IJAARN O=C(Nc1nnc(SCc2cn3ccccc3n2)s1)C1(c2cccs2)CCCC1 ZINC000070635107 569548638 /nfs/dbraw/zinc/54/86/38/569548638.db2.gz PLISKPIVHPMOQP-UHFFFAOYSA-N 0 0 441.607 4.990 50 0 IJAARN COc1ccc(Br)c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000070635477 569548689 /nfs/dbraw/zinc/54/86/89/569548689.db2.gz LXBIUGNEQICNIN-QGZVFWFLSA-N 0 0 444.247 4.690 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009584292 569549361 /nfs/dbraw/zinc/54/93/61/569549361.db2.gz LNHFOSQSKKEUNN-QGZVFWFLSA-N 0 0 448.544 4.680 50 0 IJAARN Cc1oc2cc(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2c(=O)c1-c1ccccc1 ZINC000009586071 569549604 /nfs/dbraw/zinc/54/96/04/569549604.db2.gz VXFJFLMMILCJTB-INIZCTEOSA-N 0 0 443.455 4.903 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)c3nn(CC)c(=O)c4ccccc43)cc2)cc1 ZINC000009587085 569549789 /nfs/dbraw/zinc/54/97/89/569549789.db2.gz LHFFJIQRWPJFOI-UHFFFAOYSA-N 0 0 429.476 4.860 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000009591434 569550159 /nfs/dbraw/zinc/55/01/59/569550159.db2.gz RANDKIXEPPKFKH-UHFFFAOYSA-N 0 0 430.552 4.687 50 0 IJAARN C[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1cc(F)c(Cl)cc1Cl ZINC000009591752 569550232 /nfs/dbraw/zinc/55/02/32/569550232.db2.gz VZQFCGMRLNCSBY-SECBINFHSA-N 0 0 445.119 4.754 50 0 IJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000009592337 569550273 /nfs/dbraw/zinc/55/02/73/569550273.db2.gz WVQMYTUTUAWKAC-UHFFFAOYSA-N 0 0 430.489 4.911 50 0 IJAARN COc1cc(OC)c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1Cl ZINC000009593499 569550473 /nfs/dbraw/zinc/55/04/73/569550473.db2.gz DUVWKEZOAUBDLY-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c1 ZINC000009596395 569550818 /nfs/dbraw/zinc/55/08/18/569550818.db2.gz RNZMZVWSPOXYFD-UHFFFAOYSA-N 0 0 442.566 4.724 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1C1CC1)c1ccc2c(c1)CCCC2 ZINC000009607094 569551997 /nfs/dbraw/zinc/55/19/97/569551997.db2.gz ZNRFHRPHIZWTOL-INIZCTEOSA-N 0 0 433.581 4.523 50 0 IJAARN C[C@H](NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)c1cccs1 ZINC000009608992 569552244 /nfs/dbraw/zinc/55/22/44/569552244.db2.gz CJGBDAUOODYWMY-UWJYYQICSA-N 0 0 436.602 4.883 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000009609271 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Cc1cc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c3c(C)noc3n2)c(C)s1 ZINC000009734172 569564743 /nfs/dbraw/zinc/56/47/43/569564743.db2.gz VULZQDGWZRZFOS-UHFFFAOYSA-N 0 0 434.521 4.831 50 0 IJAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1=O ZINC000009740140 569565075 /nfs/dbraw/zinc/56/50/75/569565075.db2.gz OPGYRKYNZXNPRU-XMMPIXPASA-N 0 0 449.894 4.538 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1 ZINC000009741607 569565278 /nfs/dbraw/zinc/56/52/78/569565278.db2.gz WFHYJDDDHZWZFA-HNNXBMFYSA-N 0 0 426.972 4.800 50 0 IJAARN CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c3ccccc3oc2c1=O ZINC000009749260 569566005 /nfs/dbraw/zinc/56/60/05/569566005.db2.gz NLYPPUXKFBSVFW-UHFFFAOYSA-N 0 0 437.521 4.682 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 ZINC000009775263 569566951 /nfs/dbraw/zinc/56/69/51/569566951.db2.gz VSCCZUKLGABJHY-UHFFFAOYSA-N 0 0 440.381 4.705 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCc5ccccc5C4)c3n2)cc1 ZINC000009775304 569566970 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4.944 50 0 IJAARN COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)n2Cc2ccco2)c1 ZINC000009790749 569568226 /nfs/dbraw/zinc/56/82/26/569568226.db2.gz VAZYKXLSJNFCIF-KRWDZBQOSA-N 0 0 448.548 4.739 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000009795554 569568463 /nfs/dbraw/zinc/56/84/63/569568463.db2.gz MBFXTTZLXNNMEW-QGZVFWFLSA-N 0 0 446.601 4.990 50 0 IJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)cc1 ZINC000009799886 569568631 /nfs/dbraw/zinc/56/86/31/569568631.db2.gz HRVASSVAYSMDAO-INIZCTEOSA-N 0 0 449.532 4.967 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000009819280 569569308 /nfs/dbraw/zinc/56/93/08/569569308.db2.gz QNCNWTIUKLPTJZ-UHFFFAOYSA-N 0 0 445.592 4.917 50 0 IJAARN O=C(N[C@@H]1CCSc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009818610 569569320 /nfs/dbraw/zinc/56/93/20/569569320.db2.gz DUYMIYYCWTZSHA-JOCHJYFZSA-N 0 0 426.545 4.960 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000009818253 569569338 /nfs/dbraw/zinc/56/93/38/569569338.db2.gz VMNVWXOCBZEYGP-UHFFFAOYSA-N 0 0 435.886 4.759 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2cc(Cl)ccc2OC)CC1 ZINC000009835325 569570613 /nfs/dbraw/zinc/57/06/13/569570613.db2.gz PGWKSYRGLMXBQG-NRFANRHFSA-N 0 0 443.931 4.536 50 0 IJAARN CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1 ZINC000009835110 569570614 /nfs/dbraw/zinc/57/06/14/569570614.db2.gz PCUBVJKTXZSCFS-MRXNPFEDSA-N 0 0 438.574 4.801 50 0 IJAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(NC[C@@H]2CCCO2)s1 ZINC000009836699 569570720 /nfs/dbraw/zinc/57/07/20/569570720.db2.gz CDCAULLQFCICIS-HNNXBMFYSA-N 0 0 436.562 4.789 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1 ZINC000009849111 569571321 /nfs/dbraw/zinc/57/13/21/569571321.db2.gz IUYIZZPRAICNGC-UHFFFAOYSA-N 0 0 448.422 4.916 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000009855637 569571540 /nfs/dbraw/zinc/57/15/40/569571540.db2.gz QETVPRXTJRSZMN-UHFFFAOYSA-N 0 0 430.891 4.833 50 0 IJAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000009856232 569571568 /nfs/dbraw/zinc/57/15/68/569571568.db2.gz ZYHVCUFUGPBOOX-UHFFFAOYSA-N 0 0 446.890 4.533 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(Cl)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000009858974 569571778 /nfs/dbraw/zinc/57/17/78/569571778.db2.gz PPMNPGGFEZIDNJ-UHFFFAOYSA-N 0 0 441.911 4.984 50 0 IJAARN O=C(COc1ccc(Cl)c2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009864627 569572089 /nfs/dbraw/zinc/57/20/89/569572089.db2.gz SULOJHQXJSSOPR-UHFFFAOYSA-N 0 0 428.960 4.513 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H]4CCSc5ccccc54)c(=O)c23)cc1 ZINC000009874254 569572550 /nfs/dbraw/zinc/57/25/50/569572550.db2.gz DBKQYEXDSMPLNS-LJQANCHMSA-N 0 0 447.585 4.787 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000009884402 569572738 /nfs/dbraw/zinc/57/27/38/569572738.db2.gz YXJFBLGFCINXNA-HXUWFJFHSA-N 0 0 436.581 4.554 50 0 IJAARN Cc1ccccc1C(=O)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 ZINC000009907533 569573112 /nfs/dbraw/zinc/57/31/12/569573112.db2.gz VJDLSRCKTQJRHI-UHFFFAOYSA-N 0 0 433.462 4.777 50 0 IJAARN C[C@H](Oc1ccccc1)C(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907568 569573171 /nfs/dbraw/zinc/57/31/71/569573171.db2.gz WACHDALWNLVHBW-HNNXBMFYSA-N 0 0 439.566 4.733 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCC2 ZINC000071280325 569573583 /nfs/dbraw/zinc/57/35/83/569573583.db2.gz IPQYELWXHPOYEP-QHCPKHFHSA-N 0 0 433.552 4.936 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc(Br)s1 ZINC000009926009 569573589 /nfs/dbraw/zinc/57/35/89/569573589.db2.gz QADULBYYUREJRP-IBGZPJMESA-N 0 0 448.363 4.580 50 0 IJAARN CC(=O)c1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1F ZINC000009937727 569573873 /nfs/dbraw/zinc/57/38/73/569573873.db2.gz XYKWWNGYUCXTKM-UHFFFAOYSA-N 0 0 442.899 4.566 50 0 IJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc(SC)nn32)cc1 ZINC000009942208 569574007 /nfs/dbraw/zinc/57/40/07/569574007.db2.gz JBTSITVGCXAFIA-HXUWFJFHSA-N 0 0 435.553 4.553 50 0 IJAARN CCc1ccccc1-n1c(SCc2ncc(-c3ccccc3)o2)nnc1N1CCOCC1 ZINC000009945358 569574105 /nfs/dbraw/zinc/57/41/05/569574105.db2.gz BZJNWORDBKXLOX-UHFFFAOYSA-N 0 0 447.564 4.614 50 0 IJAARN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccccc1-c1ccccc1 ZINC000009950215 569574357 /nfs/dbraw/zinc/57/43/57/569574357.db2.gz DLCDYDJNRWNUDB-UHFFFAOYSA-N 0 0 449.532 4.519 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccc(Br)c1 ZINC000071326367 569574825 /nfs/dbraw/zinc/57/48/25/569574825.db2.gz BILVSQUFBLTBNP-UHFFFAOYSA-N 0 0 437.750 4.936 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1CCc1ccccc1 ZINC000009961953 569575614 /nfs/dbraw/zinc/57/56/14/569575614.db2.gz VDJOOIWNQDJAJU-UHFFFAOYSA-N 0 0 431.565 4.513 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(Nc4ccccc4)nc23)c1 ZINC000009970001 569576164 /nfs/dbraw/zinc/57/61/64/569576164.db2.gz PMBCOSIIANPDKD-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000009995878 569577023 /nfs/dbraw/zinc/57/70/23/569577023.db2.gz RYFBUZFOHQDTJN-UHFFFAOYSA-N 0 0 443.459 4.538 50 0 IJAARN Cc1cccc(NC(=O)Cn2c(Cc3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000010013060 569577060 /nfs/dbraw/zinc/57/70/60/569577060.db2.gz OULZTWFDDOUBLQ-UHFFFAOYSA-N 0 0 443.572 4.875 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)COc1ccccc1-2 ZINC000010021105 569577184 /nfs/dbraw/zinc/57/71/84/569577184.db2.gz FYFGLIDTXLPSRU-UHFFFAOYSA-N 0 0 448.953 4.549 50 0 IJAARN Cc1ccc(-c2csc(NC(=S)NC(=O)COc3ccc(Cl)cc3C)n2)cc1 ZINC000010035183 569577415 /nfs/dbraw/zinc/57/74/15/569577415.db2.gz KKCCELPAKLBMEF-UHFFFAOYSA-N 0 0 431.970 4.972 50 0 IJAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000010037054 569577437 /nfs/dbraw/zinc/57/74/37/569577437.db2.gz HCSUGAPXPGDMIE-HZPDHXFCSA-N 0 0 438.572 4.881 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000010166154 569578232 /nfs/dbraw/zinc/57/82/32/569578232.db2.gz NKRYQQRIHDYXGK-UHFFFAOYSA-N 0 0 444.475 4.797 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c(C)c1 ZINC000010211344 569578973 /nfs/dbraw/zinc/57/89/73/569578973.db2.gz KKUQUXUCBUKOAU-UHFFFAOYSA-N 0 0 444.512 4.706 50 0 IJAARN CC[C@H](c1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1Cc1ccccc1)N(C)C ZINC000010213470 569579037 /nfs/dbraw/zinc/57/90/37/569579037.db2.gz BNJVFHBENSOQOF-HXUWFJFHSA-N 0 0 448.596 4.990 50 0 IJAARN CCCCc1ccc(NC(=O)CN2C(=O)C(c3ccc(OC)cc3)=NC23CCCCC3)cc1 ZINC000071768982 569580857 /nfs/dbraw/zinc/58/08/57/569580857.db2.gz UTDGJVLUMWNSBK-UHFFFAOYSA-N 0 0 447.579 4.968 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000010327582 569581047 /nfs/dbraw/zinc/58/10/47/569581047.db2.gz AONRKWIONSGBMF-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c4ncsc43)cc2)C1 ZINC000010337206 569581224 /nfs/dbraw/zinc/58/12/24/569581224.db2.gz HHIMISROODRPAN-CYBMUJFWSA-N 0 0 449.985 4.623 50 0 IJAARN O=C(Nc1ccc2sccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010337522 569581333 /nfs/dbraw/zinc/58/13/33/569581333.db2.gz MNTRXYLATXJMCX-UHFFFAOYSA-N 0 0 434.970 4.594 50 0 IJAARN COc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc21 ZINC000010381544 569581590 /nfs/dbraw/zinc/58/15/90/569581590.db2.gz HKKWCAYJYBLDKP-UHFFFAOYSA-N 0 0 432.958 4.953 50 0 IJAARN CCc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010381541 569581636 /nfs/dbraw/zinc/58/16/36/569581636.db2.gz DOFAYFUWWXPWRR-UHFFFAOYSA-N 0 0 448.548 4.564 50 0 IJAARN COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010381616 569581699 /nfs/dbraw/zinc/58/16/99/569581699.db2.gz VAVVSJXJPBPOAT-UHFFFAOYSA-N 0 0 438.528 4.615 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1Cl ZINC000010433760 569582135 /nfs/dbraw/zinc/58/21/35/569582135.db2.gz XNSCQBCDFRCKHV-UHFFFAOYSA-N 0 0 437.974 4.507 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(C)=O)cc1 ZINC000010434543 569582126 /nfs/dbraw/zinc/58/21/26/569582126.db2.gz ZMBDVVJXCKALBN-HSZRJFAPSA-N 0 0 426.476 4.839 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1 ZINC000010464873 569582441 /nfs/dbraw/zinc/58/24/41/569582441.db2.gz IGCVOSYUHNNCMW-LLVKDONJSA-N 0 0 434.518 4.557 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000032950953 569584465 /nfs/dbraw/zinc/58/44/65/569584465.db2.gz RQEFIYVGCOZDMD-UHFFFAOYSA-N 0 0 428.492 4.605 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2C)cc1 ZINC000003657631 569584714 /nfs/dbraw/zinc/58/47/14/569584714.db2.gz FEBCEFRBBZOSBA-YADHBBJMSA-N 0 0 443.528 4.854 50 0 IJAARN O=C(CCSc1ccccc1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077099580 569585233 /nfs/dbraw/zinc/58/52/33/569585233.db2.gz ITCRINPRCJHTHO-UHFFFAOYSA-N 0 0 433.455 4.864 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1ccc(F)cc1 ZINC000016530089 569586764 /nfs/dbraw/zinc/58/67/64/569586764.db2.gz HDPWLQKYJFHPHP-XMMPIXPASA-N 0 0 436.552 4.832 50 0 IJAARN CCCc1ccc(COc2ccc3c(c2)CCC(C[NH+]2CC(C(=O)[O-])C2)=C3C)c(OC)c1 ZINC000043130789 569588134 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C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000006298894 193897334 /nfs/dbraw/zinc/89/73/34/193897334.db2.gz LKQXSYKSNDBXJQ-LLVKDONJSA-N 0 0 431.252 4.550 50 0 IJAARN COc1cc2nc(NCc3ccc(F)cc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831132 193898593 /nfs/dbraw/zinc/89/85/93/193898593.db2.gz NQPMCHSQHLGFLQ-UHFFFAOYSA-N 0 0 429.455 4.713 50 0 IJAARN CCc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000009859042 193910272 /nfs/dbraw/zinc/91/02/72/193910272.db2.gz GSYYTKMVVIBUCG-UHFFFAOYSA-N 0 0 447.556 4.762 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O ZINC000051357458 193925654 /nfs/dbraw/zinc/92/56/54/193925654.db2.gz FVQLCCJONQYVJQ-UHFFFAOYSA-N 0 0 435.471 4.802 50 0 IJAARN CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1cccc(C(F)(F)F)c1 ZINC000055073856 193934734 /nfs/dbraw/zinc/93/47/34/193934734.db2.gz NISDSWLFAQXBKN-MOPGFXCFSA-N 0 0 426.479 4.668 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)n1 ZINC000096224337 193937049 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IJAARN O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Br)o1 ZINC000010186663 132243282 /nfs/dbraw/zinc/24/32/82/132243282.db2.gz FCNHEHQDHPEFRJ-UHFFFAOYSA-N 0 0 427.302 4.742 50 0 IJAARN Cc1ccc(-c2nnc(N3CCN(C(=O)NC4CCCCC4)CC3)c3ccccc32)cc1 ZINC000002398513 132253726 /nfs/dbraw/zinc/25/37/26/132253726.db2.gz RQNQNBLVQAFUSK-UHFFFAOYSA-N 0 0 429.568 4.770 50 0 IJAARN CCCCc1nc2sc3c(nc(SC)nc3N3CCN(CC)CC3)c2c2c1CCC2 ZINC000002405256 132254005 /nfs/dbraw/zinc/25/40/05/132254005.db2.gz ROXVGVGLXRDAFP-UHFFFAOYSA-N 0 0 441.670 4.935 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 ZINC000002592914 132255128 /nfs/dbraw/zinc/25/51/28/132255128.db2.gz KBHNQLYQPLUBPO-UHFFFAOYSA-N 0 0 449.576 4.752 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)cc1OC ZINC000002924586 132259092 /nfs/dbraw/zinc/25/90/92/132259092.db2.gz CXMBWKVXYJWKJB-UHFFFAOYSA-N 0 0 440.569 4.814 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 ZINC000004058388 132269255 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IJAARN CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCC[C@@H](C)C3)cc21 ZINC000008596235 132285082 /nfs/dbraw/zinc/28/50/82/132285082.db2.gz ILEYLTQBJIYZNM-QGZVFWFLSA-N 0 0 442.556 4.538 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc3c(c4Cl)CCCC3)CC2)c1 ZINC000008599305 132285870 /nfs/dbraw/zinc/28/58/70/132285870.db2.gz PORGIKGTNAVRGC-UHFFFAOYSA-N 0 0 435.955 4.738 50 0 IJAARN Cc1ccc(C)c(CNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000008600009 132286142 /nfs/dbraw/zinc/28/61/42/132286142.db2.gz MFOZBILVHUNALW-UHFFFAOYSA-N 0 0 442.485 4.798 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1 ZINC000008608686 132287612 /nfs/dbraw/zinc/28/76/12/132287612.db2.gz MTLRPADOAXPOJL-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 aggregator IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12 ZINC000008744885 132292745 /nfs/dbraw/zinc/29/27/45/132292745.db2.gz ASXBQMRFXPOGKJ-UHFFFAOYSA-N 0 0 446.576 4.852 50 0 IJAARN O=C(Nc1ccccc1N1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000008826254 132295242 /nfs/dbraw/zinc/29/52/42/132295242.db2.gz FLBGAANNJWSYFD-UHFFFAOYSA-N 0 0 438.531 4.687 50 0 IJAARN CN1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 ZINC000008832647 132295452 /nfs/dbraw/zinc/29/54/52/132295452.db2.gz UDGVIGSJEHPTCR-UHFFFAOYSA-N 0 0 443.172 4.760 50 0 IJAARN Cc1c(C(=O)N2CCCc3ccccc32)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000008844365 132295886 /nfs/dbraw/zinc/29/58/86/132295886.db2.gz RQJUZZFGAUWPTN-UHFFFAOYSA-N 0 0 435.487 4.977 50 0 IJAARN Cc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc32)cc1Cl ZINC000009075107 132302078 /nfs/dbraw/zinc/30/20/78/132302078.db2.gz VFXLHOVKGCTBQJ-UHFFFAOYSA-N 0 0 449.921 4.591 50 0 IJAARN CSc1cccc(NC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)c1 ZINC000009114922 132303364 /nfs/dbraw/zinc/30/33/64/132303364.db2.gz FQPXKQPKACOHOP-JOCHJYFZSA-N 0 0 433.533 4.689 50 0 IJAARN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000009115466 132303588 /nfs/dbraw/zinc/30/35/88/132303588.db2.gz GBOKOJDAXOTQDB-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCC[C@H](C)C3)cc21 ZINC000009119051 132304630 /nfs/dbraw/zinc/30/46/30/132304630.db2.gz GPDRLDCGOBNUPA-KRWDZBQOSA-N 0 0 442.556 4.538 50 0 IJAARN Cc1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000009171821 132307494 /nfs/dbraw/zinc/30/74/94/132307494.db2.gz WHNCHBHBAOLITJ-UHFFFAOYSA-N 0 0 444.560 4.966 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000009192662 132308140 /nfs/dbraw/zinc/30/81/40/132308140.db2.gz CFYJMTANOLXFMY-XNTDXEJSSA-N 0 0 445.950 4.954 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)n1Cc1ccccc1 ZINC000009205224 132308479 /nfs/dbraw/zinc/30/84/79/132308479.db2.gz LYMNZEOVPOUSHS-UHFFFAOYSA-N 0 0 435.597 4.602 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000009405824 132315021 /nfs/dbraw/zinc/31/50/21/132315021.db2.gz MSVTWUSSIIXFOD-INIZCTEOSA-N 0 0 441.959 4.960 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC1)C[C@H](C)O2 ZINC000009405918 132315319 /nfs/dbraw/zinc/31/53/19/132315319.db2.gz FWKSKXGHNWLEDI-WMZHIEFXSA-N 0 0 447.579 4.608 50 0 IJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccc(NC(C)=O)cc3)CO2)cc1 ZINC000009429422 132316892 /nfs/dbraw/zinc/31/68/92/132316892.db2.gz HICWFCICKGZFFD-UHFFFAOYSA-N 0 0 442.471 4.784 50 0 biogenic IJAARN CCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009435445 132317541 /nfs/dbraw/zinc/31/75/41/132317541.db2.gz XLDGOUMUGOPRGL-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)ccc1F ZINC000009569255 132321812 /nfs/dbraw/zinc/32/18/12/132321812.db2.gz ANZPNLOXTAWXCV-UHFFFAOYSA-N 0 0 430.526 4.589 50 0 IJAARN COc1ccc(OC)c(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573601 132322162 /nfs/dbraw/zinc/32/21/62/132322162.db2.gz YTKFZRKRWYZQOL-UHFFFAOYSA-N 0 0 444.539 4.813 50 0 IJAARN CCOC(=O)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000009597272 132322745 /nfs/dbraw/zinc/32/27/45/132322745.db2.gz MZQXORDNZFEQDN-UHFFFAOYSA-N 0 0 427.456 4.993 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCC[C@H](C)C3)cc12 ZINC000009598027 132322918 /nfs/dbraw/zinc/32/29/18/132322918.db2.gz GBGDVNHLDAYQQU-IBGZPJMESA-N 0 0 436.600 4.757 50 0 IJAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3c2c1 ZINC000009611166 132323473 /nfs/dbraw/zinc/32/34/73/132323473.db2.gz HZIDXXBIGWKWFG-UHFFFAOYSA-N 0 0 438.936 4.932 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NCc3ccccc3)C2=O)cc1 ZINC000009692922 132326234 /nfs/dbraw/zinc/32/62/34/132326234.db2.gz BEETXQCEKCRPNS-CYFREDJKSA-N 0 0 430.573 4.955 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c1C ZINC000009715520 132327210 /nfs/dbraw/zinc/32/72/10/132327210.db2.gz CJPNNGGZWAJPPY-UHFFFAOYSA-N 0 0 437.547 4.514 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12 ZINC000009717102 132327397 /nfs/dbraw/zinc/32/73/97/132327397.db2.gz GZSBTHFFHSDDOD-UHFFFAOYSA-N 0 0 436.512 4.623 50 0 IJAARN CCn1c(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)nnc1-c1ccco1 ZINC000009793219 132329216 /nfs/dbraw/zinc/32/92/16/132329216.db2.gz RSJWBNZUHOAWTA-IBGZPJMESA-N 0 0 446.532 4.817 50 0 IJAARN COC(=O)c1ccc(Oc2nc(Nc3ccccc3F)nc(N3CCCC[C@@H]3C)n2)cc1 ZINC000009804834 132329258 /nfs/dbraw/zinc/32/92/58/132329258.db2.gz CRDKXJSSCKHUKK-HNNXBMFYSA-N 0 0 437.475 4.712 50 0 IJAARN O=C(COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1)N1CCCC1 ZINC000009951322 132332681 /nfs/dbraw/zinc/33/26/81/132332681.db2.gz YCQCSDOCZSDDGG-RUZDIDTESA-N 0 0 445.494 4.598 50 0 IJAARN c1ccc(C2c3c(ncnc3N3CCCCC3)Oc3ncnc(N4CCCCC4)c32)cc1 ZINC000010014023 132334128 /nfs/dbraw/zinc/33/41/28/132334128.db2.gz BRMXLQBRVYFBMF-UHFFFAOYSA-N 0 0 428.540 4.533 50 0 IJAARN CCCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 ZINC000010059857 132334460 /nfs/dbraw/zinc/33/44/60/132334460.db2.gz ANDPZCWSTXZECH-UHFFFAOYSA-N 0 0 437.323 4.649 50 0 IJAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000010262760 132335253 /nfs/dbraw/zinc/33/52/53/132335253.db2.gz DTDXZBSWDFSROQ-HXUWFJFHSA-N 0 0 446.576 4.599 50 0 IJAARN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(C)C ZINC000011565917 132338022 /nfs/dbraw/zinc/33/80/22/132338022.db2.gz JQKCPCMAXAHBQU-UHFFFAOYSA-N 0 0 430.614 4.890 50 0 IJAARN C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013069967 132344024 /nfs/dbraw/zinc/34/40/24/132344024.db2.gz DLFPQAULBXELBW-CQSZACIVSA-N 0 0 445.407 4.873 50 0 IJAARN CCc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013110157 132344642 /nfs/dbraw/zinc/34/46/42/132344642.db2.gz PFOGQRQFFQXFHA-HNNXBMFYSA-N 0 0 434.458 4.694 50 0 IJAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000013110156 132344684 /nfs/dbraw/zinc/34/46/84/132344684.db2.gz PFOGQRQFFQXFHA-OAHLLOKOSA-N 0 0 434.458 4.694 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000013112791 132344842 /nfs/dbraw/zinc/34/48/42/132344842.db2.gz YQDQPRSELVWVKD-SFHVURJKSA-N 0 0 430.451 4.747 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3)[C@@H]2c2ccccc2OC)cc1 ZINC000013119968 132345183 /nfs/dbraw/zinc/34/51/83/132345183.db2.gz ANNBJBDAUUOBHP-DHLKQENFSA-N 0 0 430.504 4.827 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3)[C@@H]2c2ccccc2OC)cc1 ZINC000013119972 132345195 /nfs/dbraw/zinc/34/51/95/132345195.db2.gz ANNBJBDAUUOBHP-RDGATRHJSA-N 0 0 430.504 4.827 50 0 IJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cs1 ZINC000013357970 132346483 /nfs/dbraw/zinc/34/64/83/132346483.db2.gz MTAGADDJFAPNEA-UHFFFAOYSA-N 0 0 441.622 4.555 50 0 IJAARN COc1cccc(Cl)c1NC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000013465133 132347006 /nfs/dbraw/zinc/34/70/06/132347006.db2.gz OZJDADWGDWBXOM-UHFFFAOYSA-N 0 0 431.323 4.904 50 0 IJAARN O=C1CN(c2ccccc2F)C(=O)[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000013591884 132351287 /nfs/dbraw/zinc/35/12/87/132351287.db2.gz PNWAYIGHPKRQAW-NRFANRHFSA-N 0 0 439.284 4.709 50 0 IJAARN CC(=O)c1ccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 ZINC000012391717 518297701 /nfs/dbraw/zinc/29/77/01/518297701.db2.gz MLVOBOUHZQESBE-UHFFFAOYSA-N 0 0 428.879 4.865 50 0 IJAARN CC(=O)c1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)s1 ZINC000021959761 518310109 /nfs/dbraw/zinc/31/01/09/518310109.db2.gz PIJGGGXIMULUIX-UHFFFAOYSA-N 0 0 440.515 4.776 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000012414515 518431802 /nfs/dbraw/zinc/43/18/02/518431802.db2.gz OJTVLJOKKRJGNC-UHFFFAOYSA-N 0 0 431.879 4.558 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 ZINC000012907315 518588907 /nfs/dbraw/zinc/58/89/07/518588907.db2.gz ATISULVKDKDXKI-IBGZPJMESA-N 0 0 449.532 4.515 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 ZINC000012381720 519040639 /nfs/dbraw/zinc/04/06/39/519040639.db2.gz WSTDTIDNRWNFHJ-UHFFFAOYSA-N 0 0 427.257 4.745 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc3n2N(Cc2cccc(Cl)c2)C(=O)CS3)cc1 ZINC000034810001 519041427 /nfs/dbraw/zinc/04/14/27/519041427.db2.gz JJBLPTRCCIGZEP-UHFFFAOYSA-N 0 0 442.972 4.579 50 0 IJAARN CC(C)(C)c1ccc(OC[C@@H](O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 ZINC000022869358 519042366 /nfs/dbraw/zinc/04/23/66/519042366.db2.gz CJUGRFOGUCESEY-SFHVURJKSA-N 0 0 434.561 4.862 50 0 IJAARN CC(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000021991699 519384906 /nfs/dbraw/zinc/38/49/06/519384906.db2.gz HNQNCMNLDYVOGH-WNCULLNHSA-N 0 0 443.547 4.510 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cs1)c1ccc(F)cc1F ZINC000012893589 519474656 /nfs/dbraw/zinc/47/46/56/519474656.db2.gz MESLTPPJHPDJKF-MFOYZWKCSA-N 0 0 443.406 4.590 50 0 IJAARN CC(=O)N(c1nc(COC(=O)/C=C/c2nc3ccccc3o2)cs1)c1ccccc1F ZINC000012908127 519475457 /nfs/dbraw/zinc/47/54/57/519475457.db2.gz FNGOVLJRLSEEQT-ZHACJKMWSA-N 0 0 437.452 4.865 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021864297 519652927 /nfs/dbraw/zinc/65/29/27/519652927.db2.gz FSCGLEJBTYJZHR-RUZDIDTESA-N 0 0 425.573 4.848 50 0 IJAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccccc1F ZINC000021911619 519661442 /nfs/dbraw/zinc/66/14/42/519661442.db2.gz PPPHOISGDWQFKT-JOCHJYFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000033037251 519701657 /nfs/dbraw/zinc/70/16/57/519701657.db2.gz CYLMQLRXSCLWFW-UHFFFAOYSA-N 0 0 448.910 4.983 50 0 IJAARN CC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)NC(C)(C)C ZINC000036048130 519710116 /nfs/dbraw/zinc/71/01/16/519710116.db2.gz SJOVUQOPXCTFDT-UHFFFAOYSA-N 0 0 447.583 4.944 50 0 IJAARN CC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000033058618 519717187 /nfs/dbraw/zinc/71/71/87/519717187.db2.gz PDSAQXFVPIJLKF-UHFFFAOYSA-N 0 0 443.572 4.875 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000035561959 519779559 /nfs/dbraw/zinc/77/95/59/519779559.db2.gz NEPJDCLOHISRTB-LJQANCHMSA-N 0 0 447.579 4.760 50 0 IJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000021784546 519784821 /nfs/dbraw/zinc/78/48/21/519784821.db2.gz OOFSIARTQIHQFB-QGZVFWFLSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)c1c(C(=O)N2CCCC[C@@H]2c2cccnc2)cnn1-c1nccc(-c2ccco2)n1 ZINC000012080185 519830670 /nfs/dbraw/zinc/83/06/70/519830670.db2.gz KRQPNKONTZXOMH-OAQYLSRUSA-N 0 0 442.523 4.808 50 0 IJAARN CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012782861 519847076 /nfs/dbraw/zinc/84/70/76/519847076.db2.gz MZYXKUOFFDZUBH-UHFFFAOYSA-N 0 0 441.531 4.654 50 0 IJAARN CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccccc1 ZINC000012321998 519877160 /nfs/dbraw/zinc/87/71/60/519877160.db2.gz JANSMUOUBAEOTQ-UHFFFAOYSA-N 0 0 440.565 4.733 50 0 IJAARN CCCCC(=O)N1CCN(c2nc([C@@H](C)CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925789 519908251 /nfs/dbraw/zinc/90/82/51/519908251.db2.gz JXEMWMMSLQGLJG-IBGZPJMESA-N 0 0 434.588 4.558 50 0 IJAARN CCCCCC(=O)N1CCCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925606 519922817 /nfs/dbraw/zinc/92/28/17/519922817.db2.gz ACEKVZQEULSWKT-UHFFFAOYSA-N 0 0 448.615 4.633 50 0 IJAARN CCCCCC(=O)Nc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1 ZINC000009661729 519938547 /nfs/dbraw/zinc/93/85/47/519938547.db2.gz SGELQFPVPSIRPC-UHFFFAOYSA-N 0 0 435.553 4.831 50 0 IJAARN CCCCCCC(=O)N1CCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925478 519952716 /nfs/dbraw/zinc/95/27/16/519952716.db2.gz AZHKFTIJFKKMGA-UHFFFAOYSA-N 0 0 448.615 4.633 50 0 IJAARN CCCCCCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1Br ZINC000012137504 520105343 /nfs/dbraw/zinc/10/53/43/520105343.db2.gz OZKSBEGTRFIDKP-UHFFFAOYSA-N 0 0 427.408 4.955 50 0 IJAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OCC ZINC000035844996 520155692 /nfs/dbraw/zinc/15/56/92/520155692.db2.gz RJHCFQHXFVTWSH-QFIPXVFZSA-N 0 0 442.600 4.603 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C/c4ccccc4OCCC)c(=O)n3n2)cc1 ZINC000033168269 520248818 /nfs/dbraw/zinc/24/88/18/520248818.db2.gz AKFPOBDOYJYRBE-OQKWZONESA-N 0 0 449.576 4.724 50 0 IJAARN CCOC(=O)C(=Cc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)OCC ZINC000091695424 520402144 /nfs/dbraw/zinc/40/21/44/520402144.db2.gz NQXLRSQWZIIOFQ-UHFFFAOYSA-N 0 0 427.806 4.930 50 0 IJAARN CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccccn1)c1ccccc1 ZINC000033347551 520439873 /nfs/dbraw/zinc/43/98/73/520439873.db2.gz GHWGHCLMSYZNHS-GHVJWSGMSA-N 0 0 431.561 4.841 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(-c3cccs3)nn2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000012640156 520506372 /nfs/dbraw/zinc/50/63/72/520506372.db2.gz MHTKJWYQNHVDRH-INIZCTEOSA-N 0 0 434.443 4.877 50 0 IJAARN CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012536035 520539982 /nfs/dbraw/zinc/53/99/82/520539982.db2.gz BKFNASLJWSRVBF-HXUWFJFHSA-N 0 0 432.542 4.558 50 0 IJAARN CCCCN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)COCc1ccccc1 ZINC000035845348 520541688 /nfs/dbraw/zinc/54/16/88/520541688.db2.gz DVCWGARLCUFULA-UHFFFAOYSA-N 0 0 427.932 4.778 50 0 IJAARN CCCSCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855853 520562986 /nfs/dbraw/zinc/56/29/86/520562986.db2.gz AZRWLQVJOFYECI-RUZDIDTESA-N 0 0 441.641 4.838 50 0 IJAARN CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)N[C@@H](C)c2ccccc2Cl)c1=O ZINC000012282402 520564324 /nfs/dbraw/zinc/56/43/24/520564324.db2.gz ZUOBXRZXBFUVOM-INIZCTEOSA-N 0 0 443.975 4.590 50 0 IJAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)CCn2cnc3ccccc32)C1 ZINC000012440447 520575600 /nfs/dbraw/zinc/57/56/00/520575600.db2.gz DTQSHHHHLQGPBQ-NRFANRHFSA-N 0 0 431.515 4.581 50 0 IJAARN CCOc1c(Br)cc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000012774181 520593686 /nfs/dbraw/zinc/59/36/86/520593686.db2.gz DKRBUAWRPVHAAK-UHFFFAOYSA-N 0 0 440.721 4.844 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc(OCC)c1OCC ZINC000016047585 520613586 /nfs/dbraw/zinc/61/35/86/520613586.db2.gz DBOMXLVSTZCRSV-UHFFFAOYSA-N 0 0 431.876 4.838 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1C ZINC000012639034 520782079 /nfs/dbraw/zinc/78/20/79/520782079.db2.gz ARXGQSFKXTUCKB-UHFFFAOYSA-N 0 0 436.577 4.545 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1C ZINC000012574672 520784414 /nfs/dbraw/zinc/78/44/14/520784414.db2.gz JSSLYOJDKHZSQL-UHFFFAOYSA-N 0 0 442.606 4.910 50 0 IJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 ZINC000012441074 520809068 /nfs/dbraw/zinc/80/90/68/520809068.db2.gz NIIBAOVODITKMQ-UHFFFAOYSA-N 0 0 448.548 4.646 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3OC)no2)cc1 ZINC000033325082 520812963 /nfs/dbraw/zinc/81/29/63/520812963.db2.gz JHFKBYVSHZUMOC-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(Cc5ccc(OC)cc5)nn4cnc32)cc1 ZINC000021801405 520831447 /nfs/dbraw/zinc/83/14/47/520831447.db2.gz UPKYHEGCVGSGPG-UHFFFAOYSA-N 0 0 427.508 4.683 50 0 IJAARN C=C1C(N2CCN(c3cc(Cl)ccc3C)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465635 520842133 /nfs/dbraw/zinc/84/21/33/520842133.db2.gz AJCAQPBQSVOVFM-UHFFFAOYSA-N 0 0 444.000 4.560 50 0 IJAARN CCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1 ZINC000020617010 520860884 /nfs/dbraw/zinc/86/08/84/520860884.db2.gz WDNKHWOVZWEHSH-WCTVFOPTSA-N 0 0 443.503 4.820 50 0 IJAARN CCCCOc1ccc(C(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1 ZINC000020556819 520868854 /nfs/dbraw/zinc/86/88/54/520868854.db2.gz BYVHXRLBGQUILH-UHFFFAOYSA-N 0 0 434.565 4.918 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936347 520894188 /nfs/dbraw/zinc/89/41/88/520894188.db2.gz XZXHEMLIBBOKKS-JXFKEZNVSA-N 0 0 434.565 4.822 50 0 IJAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000020605639 520920883 /nfs/dbraw/zinc/92/08/83/520920883.db2.gz FCIYHGQUFXSBJX-UHFFFAOYSA-N 0 0 442.235 4.751 50 0 IJAARN CCCCSC1=NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccccc1 ZINC000020981838 520941659 /nfs/dbraw/zinc/94/16/59/520941659.db2.gz GNYIZHLTKHLPIS-UHFFFAOYSA-N 0 0 441.622 4.602 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CCCc2ccccc2)CC1 ZINC000021810922 520951171 /nfs/dbraw/zinc/95/11/71/520951171.db2.gz HCYLLSIRXHUVRV-IOAASBHNSA-N 0 0 447.579 4.777 50 0 IJAARN CCOc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000035528887 520981569 /nfs/dbraw/zinc/98/15/69/520981569.db2.gz NJABTSCJJUWZED-UHFFFAOYSA-N 0 0 429.948 4.689 50 0 IJAARN CCCC[C@@H](CC)C(=O)Nc1cccc([C@@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)c1 ZINC000035729702 521021962 /nfs/dbraw/zinc/02/19/62/521021962.db2.gz LNTOKZYNPNNIHO-UZLBHIALSA-N 0 0 431.602 4.540 50 0 IJAARN CC1CCN(c2nc3ncnc(SCC(=O)Nc4ccccc4Cl)c3s2)CC1 ZINC000035533216 521048422 /nfs/dbraw/zinc/04/84/22/521048422.db2.gz QQKRLUJALBCNBW-UHFFFAOYSA-N 0 0 433.990 4.707 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000033325203 521064450 /nfs/dbraw/zinc/06/44/50/521064450.db2.gz NWIKTSLMHSUQSA-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCC(=O)N(CCc1ccc(F)cc1)Cc1cc2cccc(C)c2nc1N1CCC[C@H](O)C1 ZINC000012121936 521089958 /nfs/dbraw/zinc/08/99/58/521089958.db2.gz PAWPOQRRBFWULE-DEOSSOPVSA-N 0 0 449.570 4.625 50 0 IJAARN CCOc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000021156770 521098404 /nfs/dbraw/zinc/09/84/04/521098404.db2.gz UYIYEHLCSAXEOF-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1C ZINC000035684001 521167105 /nfs/dbraw/zinc/16/71/05/521167105.db2.gz XNVRTYLHENLZDL-XMMPIXPASA-N 0 0 447.560 4.884 50 0 IJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(OC)cc2)c1 ZINC000021106700 521171322 /nfs/dbraw/zinc/17/13/22/521171322.db2.gz ZRYDUHHAMABVTN-XMMPIXPASA-N 0 0 433.508 4.654 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2ccn(CC)n2)c2ccc(C(C)C)cc2)cc1 ZINC000020614251 521190605 /nfs/dbraw/zinc/19/06/05/521190605.db2.gz GPPSWFNZWKAHAU-UHFFFAOYSA-N 0 0 427.570 4.821 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OCC ZINC000012856942 521195308 /nfs/dbraw/zinc/19/53/08/521195308.db2.gz DXCLXQQOVYRYAE-QGZVFWFLSA-N 0 0 432.567 4.620 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC ZINC000021725593 521241931 /nfs/dbraw/zinc/24/19/31/521241931.db2.gz CYNFNJHNMGUZRH-HNNXBMFYSA-N 0 0 434.521 4.754 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000021783016 521249111 /nfs/dbraw/zinc/24/91/11/521249111.db2.gz BIASVVJIUBJTKW-WMZHIEFXSA-N 0 0 433.504 4.533 50 0 IJAARN CCCCc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000024607661 521278665 /nfs/dbraw/zinc/27/86/65/521278665.db2.gz QYKTZLIWOYFTLV-UHFFFAOYSA-N 0 0 438.524 4.983 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(F)ccc3F)sc2c1 ZINC000021660939 521298186 /nfs/dbraw/zinc/29/81/86/521298186.db2.gz LYORHMPMFZQKBP-HNNXBMFYSA-N 0 0 440.475 4.941 50 0 IJAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012718787 521353527 /nfs/dbraw/zinc/35/35/27/521353527.db2.gz RVZTWNLQNVKJOA-AREMUKBSSA-N 0 0 437.536 4.607 50 0 IJAARN CCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000022648558 521364809 /nfs/dbraw/zinc/36/48/09/521364809.db2.gz BFYBASHFPVJKKM-UHFFFAOYSA-N 0 0 438.355 4.796 50 0 IJAARN CCCCn1c2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)n(CC)c2c(=O)[nH]c1=O ZINC000012530784 521374922 /nfs/dbraw/zinc/37/49/22/521374922.db2.gz SJUNUZQYWABMKW-UHFFFAOYSA-N 0 0 447.322 4.940 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccc(F)cc2)C(=O)CC(C)C)c(C)n1CC ZINC000036000292 521386334 /nfs/dbraw/zinc/38/63/34/521386334.db2.gz OOTPAVLRDMNAOX-UHFFFAOYSA-N 0 0 444.547 4.698 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccc(F)cc2)c(C)n1CC ZINC000036003361 521386695 /nfs/dbraw/zinc/38/66/95/521386695.db2.gz NXYQXEQTERYJOT-UHFFFAOYSA-N 0 0 444.547 4.812 50 0 IJAARN CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022673969 521411360 /nfs/dbraw/zinc/41/13/60/521411360.db2.gz NTVXCUZDZTUBDO-UHFFFAOYSA-N 0 0 440.590 4.726 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000022651715 521422739 /nfs/dbraw/zinc/42/27/39/521422739.db2.gz FBYQMBJEKYURTO-UHFFFAOYSA-N 0 0 425.573 4.889 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)C(CC)CC)CC2)n1 ZINC000022652360 521423858 /nfs/dbraw/zinc/42/38/58/521423858.db2.gz NZRDPBDSVWPDIP-UHFFFAOYSA-N 0 0 425.573 4.889 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)s2)c1 ZINC000020836000 521499075 /nfs/dbraw/zinc/49/90/75/521499075.db2.gz NGTUKTJVSTUQEI-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN CCOc1ccccc1N(C)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508798 521511216 /nfs/dbraw/zinc/51/12/16/521511216.db2.gz QNSSIHQHWJZRBF-UHFFFAOYSA-N 0 0 428.488 4.675 50 0 IJAARN CCOc1ccccc1NC(=O)C[C@H](c1ccc(OC)cc1)N1Cc2ccccc2C1=O ZINC000020560721 521533237 /nfs/dbraw/zinc/53/32/37/521533237.db2.gz XERWZUHTUZYCCE-HSZRJFAPSA-N 0 0 430.504 4.820 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032949954 521536508 /nfs/dbraw/zinc/53/65/08/521536508.db2.gz HCHTVCGLCDQMLC-UHFFFAOYSA-N 0 0 433.434 4.718 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)Cc4ccccc4)CC2)n1)CCCCC3 ZINC000035892524 521544365 /nfs/dbraw/zinc/54/43/65/521544365.db2.gz OHDYEXAQFNZPJH-UHFFFAOYSA-N 0 0 448.636 4.804 50 0 IJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012877714 521581019 /nfs/dbraw/zinc/58/10/19/521581019.db2.gz SEAWKEDAGUOXED-OITMZJTCSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN CCOC(=O)c1csc(CSc2nnc(-c3ccco3)n2-c2ccccc2C)n1 ZINC000035746796 521590067 /nfs/dbraw/zinc/59/00/67/521590067.db2.gz LQLUSROZWRVVEK-UHFFFAOYSA-N 0 0 426.523 4.761 50 0 IJAARN CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccccc1 ZINC000012912355 521612776 /nfs/dbraw/zinc/61/27/76/521612776.db2.gz MTYOYDZJNYVWSF-UHFFFAOYSA-N 0 0 439.518 4.885 50 0 IJAARN CCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000020924230 521654881 /nfs/dbraw/zinc/65/48/81/521654881.db2.gz OPEGIXFYSZKIPX-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN CCS(=O)(=O)N1CCC(c2c(C)n(Cc3cccc(OC)c3)c3ccccc32)CC1 ZINC000021885579 521662074 /nfs/dbraw/zinc/66/20/74/521662074.db2.gz XOYARHCRXQKGCY-UHFFFAOYSA-N 0 0 426.582 4.536 50 0 IJAARN CCCn1nc(-c2cc(C)sc2C)cc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000034902412 521664056 /nfs/dbraw/zinc/66/40/56/521664056.db2.gz YLOQRBJAFMKEIY-UHFFFAOYSA-N 0 0 427.570 4.628 50 0 IJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)C=Cc3ccccc3)cc2)C(C(=O)OCC)=C1C ZINC000035710120 521700979 /nfs/dbraw/zinc/70/09/79/521700979.db2.gz CRZIWNFWAYIRJG-JOPVOSQUSA-N 0 0 447.535 4.652 50 0 IJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)C(C(=O)OCC)=C1C ZINC000035711351 521701085 /nfs/dbraw/zinc/70/10/85/521701085.db2.gz JGHPBKWFSSYTSI-OAQYLSRUSA-N 0 0 436.512 4.644 50 0 IJAARN CCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021868790 521701520 /nfs/dbraw/zinc/70/15/20/521701520.db2.gz XSSAZMVFPQLQPH-AREMUKBSSA-N 0 0 434.584 4.527 50 0 IJAARN CCOCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000020938865 521711730 /nfs/dbraw/zinc/71/17/30/521711730.db2.gz YZMVOGYMLRTFQD-HSZRJFAPSA-N 0 0 441.959 4.914 50 0 IJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021892639 521711735 /nfs/dbraw/zinc/71/17/35/521711735.db2.gz HYDVEFUNMWGJBM-RUZDIDTESA-N 0 0 449.551 4.536 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)/C=C\c1cnn(C)c1C)C[C@H](c1ccccc1)CC2 ZINC000033764741 521784491 /nfs/dbraw/zinc/78/44/91/521784491.db2.gz CYQJLJOJGXZAGM-XSLBHYSZSA-N 0 0 435.549 4.501 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(OC)ccc1Br)Nc1ccccc1-2 ZINC000000669375 521799675 /nfs/dbraw/zinc/79/96/75/521799675.db2.gz BAOAHCITDLEMJP-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)c2ccc(OC)cc2)n1 ZINC000012444200 521882115 /nfs/dbraw/zinc/88/21/15/521882115.db2.gz ZKRJASUYZHTLGY-UHFFFAOYSA-N 0 0 426.563 4.870 50 0 IJAARN CCc1ccccc1NC(=O)c1nc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1 ZINC000021727564 521909572 /nfs/dbraw/zinc/90/95/72/521909572.db2.gz WBFFOPBKOWLSGI-UHFFFAOYSA-N 0 0 441.413 4.633 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012430679 521927543 /nfs/dbraw/zinc/92/75/43/521927543.db2.gz ZLSYQRMEDGRMAJ-OAQYLSRUSA-N 0 0 434.471 4.789 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)s1 ZINC000012621476 522119280 /nfs/dbraw/zinc/11/92/80/522119280.db2.gz PAJVTUOACKUEGS-UHFFFAOYSA-N 0 0 431.311 4.920 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000035928473 522221413 /nfs/dbraw/zinc/22/14/13/522221413.db2.gz OPUHDNXYPRRHIE-XMMPIXPASA-N 0 0 435.524 4.923 50 0 IJAARN COc1cc(C=O)ccc1Oc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl ZINC000012394229 522313979 /nfs/dbraw/zinc/31/39/79/522313979.db2.gz LFVITLYBKSEMQY-UHFFFAOYSA-N 0 0 425.655 4.806 50 0 IJAARN COc1cc(CN(C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OC(F)F ZINC000012895958 522355298 /nfs/dbraw/zinc/35/52/98/522355298.db2.gz BYZYFOACXIJLHA-UHFFFAOYSA-N 0 0 443.372 4.997 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000016915184 522411482 /nfs/dbraw/zinc/41/14/82/522411482.db2.gz OCJFBMYLGGCGRX-UHFFFAOYSA-N 0 0 447.557 4.641 50 0 IJAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)OCc2cc(Cl)cc3c2OCOC3)CC1=O ZINC000012529278 522431648 /nfs/dbraw/zinc/43/16/48/522431648.db2.gz UWZZWGBTLWJBLV-CVEARBPZSA-N 0 0 443.927 4.816 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CCCCC3 ZINC000035892423 522441853 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BIQBXLRNKYFEGV-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn32)cc1 ZINC000012342162 523780174 /nfs/dbraw/zinc/78/01/74/523780174.db2.gz YWLDOTFWSCZZBV-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000021658627 523877978 /nfs/dbraw/zinc/87/79/78/523877978.db2.gz CSUGGCCSONYPFC-LJQANCHMSA-N 0 0 439.537 4.842 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012197018 523878802 /nfs/dbraw/zinc/87/88/02/523878802.db2.gz BKUWZPLPHFMTCP-BKMJKUGQSA-N 0 0 446.503 4.963 50 0 IJAARN CC[C@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C(C)C ZINC000035394185 523925685 /nfs/dbraw/zinc/92/56/85/523925685.db2.gz UFWHHJDGWWFOEL-SFHVURJKSA-N 0 0 444.597 4.597 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000018892477 523943515 /nfs/dbraw/zinc/94/35/15/523943515.db2.gz RMMKEDFNUBGBSO-KRWDZBQOSA-N 0 0 437.005 4.811 50 0 IJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000023125768 523959445 /nfs/dbraw/zinc/95/94/45/523959445.db2.gz MZUBJIYBTKTRQF-UHFFFAOYSA-N 0 0 432.542 4.835 50 0 IJAARN COc1ccc(CCNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012419415 523979691 /nfs/dbraw/zinc/97/96/91/523979691.db2.gz LGJGLJZYLVIGGW-UHFFFAOYSA-N 0 0 438.505 4.739 50 0 IJAARN CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000021100497 523986565 /nfs/dbraw/zinc/98/65/65/523986565.db2.gz NDMGTBZSGPGHDZ-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN COc1ccc(CCn2cnc3c4ccccc4n(Cc4ccccc4)c3c2=O)cc1OC ZINC000035400261 523986755 /nfs/dbraw/zinc/98/67/55/523986755.db2.gz HNBPVJJHRTUDJL-UHFFFAOYSA-N 0 0 439.515 4.659 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)s1 ZINC000042380397 524011993 /nfs/dbraw/zinc/01/19/93/524011993.db2.gz NBEHWZDLWNIWDU-CYBMUJFWSA-N 0 0 437.587 4.536 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(F)cc2)C2CCCCC2)c1C ZINC000036005041 524022988 /nfs/dbraw/zinc/02/29/88/524022988.db2.gz NUBHHCUKJOHGHE-INIZCTEOSA-N 0 0 428.504 4.604 50 0 IJAARN CCc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863910 524071474 /nfs/dbraw/zinc/07/14/74/524071474.db2.gz AWVILDGZCKTGIZ-AREMUKBSSA-N 0 0 431.536 4.788 50 0 IJAARN CCc1cccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863904 524071572 /nfs/dbraw/zinc/07/15/72/524071572.db2.gz AWVILDGZCKTGIZ-SANMLTNESA-N 0 0 431.536 4.788 50 0 IJAARN COc1ccc(CN[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1OC ZINC000012795578 524083605 /nfs/dbraw/zinc/08/36/05/524083605.db2.gz RSKZMIHIBXQZJU-LBPRGKRZSA-N 0 0 427.551 4.581 50 0 IJAARN Cc1ccc2oc(=O)n(C3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)CC3)c2c1 ZINC000023441237 524087005 /nfs/dbraw/zinc/08/70/05/524087005.db2.gz OCIHPDNZLJLQLS-UHFFFAOYSA-N 0 0 438.483 4.592 50 0 IJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)nc2)c1 ZINC000035513289 524110780 /nfs/dbraw/zinc/11/07/80/524110780.db2.gz ZEBAPDAYRCELLA-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000021159555 524112377 /nfs/dbraw/zinc/11/23/77/524112377.db2.gz SXYCAYAQYNCOLA-UHFFFAOYSA-N 0 0 430.596 4.930 50 0 IJAARN Cc1cccc(-c2nc3ccccc3c3nnc(SCC(=O)N4CCC[C@@H](C)C4)n32)c1 ZINC000021727273 524119683 /nfs/dbraw/zinc/11/96/83/524119683.db2.gz IRNQELMYFTYDNV-QGZVFWFLSA-N 0 0 431.565 4.604 50 0 IJAARN COc1ccc(C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)c2ccc(OC)cc2)cc1 ZINC000013128432 524141296 /nfs/dbraw/zinc/14/12/96/524141296.db2.gz QBFBLSLKVXRXHX-RUZDIDTESA-N 0 0 427.504 4.603 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000015393997 524151267 /nfs/dbraw/zinc/15/12/67/524151267.db2.gz ZABPJCGYNDJSKQ-QGZVFWFLSA-N 0 0 444.578 4.596 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128178 524151408 /nfs/dbraw/zinc/15/14/08/524151408.db2.gz FGYQWNQGBANZPN-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022798190 524159316 /nfs/dbraw/zinc/15/93/16/524159316.db2.gz XALDRAJQIJCLGR-PSVMIJIFSA-N 0 0 439.603 4.612 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1OC ZINC000021801201 524163532 /nfs/dbraw/zinc/16/35/32/524163532.db2.gz KZKHZWNRPJOWQR-UHFFFAOYSA-N 0 0 427.508 4.601 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000001105873 524188146 /nfs/dbraw/zinc/18/81/46/524188146.db2.gz YJPWOLOAPKQOPB-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 ZINC000035596963 524234555 /nfs/dbraw/zinc/23/45/55/524234555.db2.gz RFULALDIMOFJKD-HNNXBMFYSA-N 0 0 444.894 4.873 50 0 IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccccc31)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000035974748 524248482 /nfs/dbraw/zinc/24/84/82/524248482.db2.gz YBCHQPJTKSIVRH-HYBUGGRVSA-N 0 0 431.879 4.697 50 0 IJAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc4c(c3)OCO4)oc21 ZINC000012437488 524260557 /nfs/dbraw/zinc/26/05/57/524260557.db2.gz XXRXZVJMOJPJTJ-IZHYLOQSSA-N 0 0 449.484 4.544 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000012687514 524283891 /nfs/dbraw/zinc/28/38/91/524283891.db2.gz NRQZQMLZVIHCGJ-JOCHJYFZSA-N 0 0 425.488 4.802 50 0 IJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000012898475 524287048 /nfs/dbraw/zinc/28/70/48/524287048.db2.gz OMXWDHRZXHRBOL-QHCPKHFHSA-N 0 0 439.515 4.861 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccccc2)cc3=O)c(C)c1 ZINC000021663756 524292596 /nfs/dbraw/zinc/29/25/96/524292596.db2.gz AZIPTDUWKTXSMH-UHFFFAOYSA-N 0 0 436.515 4.880 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000012653045 524305278 /nfs/dbraw/zinc/30/52/78/524305278.db2.gz HEFBWWKAIOBIEH-SPYBWZPUSA-N 0 0 449.473 4.942 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(C)c1 ZINC000021036885 524321591 /nfs/dbraw/zinc/32/15/91/524321591.db2.gz CEEPGSMUTSXVMI-OAQYLSRUSA-N 0 0 433.533 4.730 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(C)c1 ZINC000021036878 524322855 /nfs/dbraw/zinc/32/28/55/524322855.db2.gz CEEPGSMUTSXVMI-NRFANRHFSA-N 0 0 433.533 4.730 50 0 IJAARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc4c(c3)CC(=O)N4C)n2n1 ZINC000012569528 524340139 /nfs/dbraw/zinc/34/01/39/524340139.db2.gz IYXLUDXQIVKHQM-UHFFFAOYSA-N 0 0 442.544 4.507 50 0 IJAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000012926308 524379217 /nfs/dbraw/zinc/37/92/17/524379217.db2.gz WKNNDPDDQDMUPA-HAHDFKILSA-N 0 0 428.488 4.961 50 0 IJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020415273 524398225 /nfs/dbraw/zinc/39/82/25/524398225.db2.gz XYQCPBNJZAITIC-XMMPIXPASA-N 0 0 428.488 4.954 50 0 IJAARN COc1ccc(N2C(=O)c3n[nH]c(-c4ccc(F)cc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000012323947 524401704 /nfs/dbraw/zinc/40/17/04/524401704.db2.gz CRLKLMDOYUJMOR-XMMPIXPASA-N 0 0 445.450 4.688 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021851001 524411489 /nfs/dbraw/zinc/41/14/89/524411489.db2.gz LYIZAEXFDLDSAI-SANMLTNESA-N 0 0 446.551 4.628 50 0 IJAARN COc1ccccc1CCNC(=O)[C@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000034731096 524419135 /nfs/dbraw/zinc/41/91/35/524419135.db2.gz BMRZIOXRTCGLTR-DQEYMECFSA-N 0 0 448.607 4.832 50 0 IJAARN COc1ccccc1CCNC(=O)c1cnc2c(c(C)nn2-c2ccc(C)cc2)c1Cl ZINC000011665726 524420301 /nfs/dbraw/zinc/42/03/01/524420301.db2.gz XFJVOUATNSJZFO-UHFFFAOYSA-N 0 0 434.927 4.672 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000021156706 524428748 /nfs/dbraw/zinc/42/87/48/524428748.db2.gz NWYIVVJVGVJKDI-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021862994 524432695 /nfs/dbraw/zinc/43/26/95/524432695.db2.gz JRLRXFMKIXFRMA-MHZLTWQESA-N 0 0 445.563 4.920 50 0 IJAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-c3nc4ccccc4s3)CC2=O)cc1 ZINC000012853359 524444584 /nfs/dbraw/zinc/44/45/84/524444584.db2.gz KBLIOUBAEGHTIH-INIZCTEOSA-N 0 0 443.528 4.964 50 0 IJAARN Cc1cccc(COn2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)c1 ZINC000020356161 524451072 /nfs/dbraw/zinc/45/10/72/524451072.db2.gz KQLUJFVMMKTCQJ-UHFFFAOYSA-N 0 0 436.817 4.710 50 0 IJAARN COc1ccccc1CNC(=O)C1CCN(c2nc(C)c3cc(C(C)C)ccc3n2)CC1 ZINC000011881960 524460278 /nfs/dbraw/zinc/46/02/78/524460278.db2.gz HYUICJXJUZULIK-UHFFFAOYSA-N 0 0 432.568 4.603 50 0 IJAARN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000035887853 524472214 /nfs/dbraw/zinc/47/22/14/524472214.db2.gz AVNDJCRLRWMBCW-UHFFFAOYSA-N 0 0 440.591 4.800 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)COc3ccc(C)cc3)C2)cc1Cl ZINC000012702606 524484530 /nfs/dbraw/zinc/48/45/30/524484530.db2.gz ZDNHFRPSNWPEMX-GOSISDBHSA-N 0 0 444.959 4.693 50 0 IJAARN COc1ccccc1Cn1c2nnc(SCc3cccc(C)c3)n2c2ccsc2c1=O ZINC000035529477 524520046 /nfs/dbraw/zinc/52/00/46/524520046.db2.gz ILHGIMBAUILZBN-UHFFFAOYSA-N 0 0 448.573 4.763 50 0 IJAARN COc1ccccc1Cn1c2nnc(SCc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000035529491 524520059 /nfs/dbraw/zinc/52/00/59/524520059.db2.gz ZZZNQJBDUHBWHH-UHFFFAOYSA-N 0 0 448.573 4.763 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C4CC4)nn3C[C@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021852394 524535521 /nfs/dbraw/zinc/53/55/21/524535521.db2.gz XLYZDBJVYIMVMY-AREMUKBSSA-N 0 0 434.584 4.635 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)c1 ZINC000020559202 524536434 /nfs/dbraw/zinc/53/64/34/524536434.db2.gz YNQOXNQXOUVZCG-FQEVSTJZSA-N 0 0 427.932 4.861 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(C[S@@](=O)c3ccc(Br)cc3)o2)cc1 ZINC000020856220 524560641 /nfs/dbraw/zinc/56/06/41/524560641.db2.gz NFKDSSWMVZIHST-SANMLTNESA-N 0 0 432.339 4.588 50 0 IJAARN COc1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000021932137 524574669 /nfs/dbraw/zinc/57/46/69/524574669.db2.gz MUCPHWPNMHJWKE-NRFANRHFSA-N 0 0 448.454 4.804 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000012615492 524584474 /nfs/dbraw/zinc/58/44/74/524584474.db2.gz IUGLJXUEKVASLA-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021810582 524588457 /nfs/dbraw/zinc/58/84/57/524588457.db2.gz CTYWEELMQMPOFA-HFJWLAOPSA-N 0 0 433.552 4.701 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)cc1Cl ZINC000012158238 524592032 /nfs/dbraw/zinc/59/20/32/524592032.db2.gz CSYHUFPAOHFFIX-IBGZPJMESA-N 0 0 426.944 4.846 50 0 IJAARN Cc1cc(C)nc(SCc2nc3cc(NC(=S)NC4CCCC4)ccc3n2C)n1 ZINC000012324080 524601377 /nfs/dbraw/zinc/60/13/77/524601377.db2.gz IDVTYNVUMYFIPR-UHFFFAOYSA-N 0 0 426.615 4.501 50 0 IJAARN Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)c1 ZINC000020532945 524609936 /nfs/dbraw/zinc/60/99/36/524609936.db2.gz ODAFSOZKNQSWNG-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)cc1Cl ZINC000012158243 524613323 /nfs/dbraw/zinc/61/33/23/524613323.db2.gz CSYHUFPAOHFFIX-LJQANCHMSA-N 0 0 426.944 4.846 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1Cl ZINC000035398294 524614455 /nfs/dbraw/zinc/61/44/55/524614455.db2.gz BTUQRVUMQNDETK-SFHVURJKSA-N 0 0 436.943 4.969 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000022503945 524617397 /nfs/dbraw/zinc/61/73/97/524617397.db2.gz FXHFMGBJUHNQFY-UHFFFAOYSA-N 0 0 443.550 4.542 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000012711347 524617664 /nfs/dbraw/zinc/61/76/64/524617664.db2.gz YLIVGVRHTQQHBN-UHFFFAOYSA-N 0 0 441.482 4.651 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000016047530 524617717 /nfs/dbraw/zinc/61/77/17/524617717.db2.gz PXTVJGXJBGRHBO-UHFFFAOYSA-N 0 0 434.880 4.769 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1ccccc1C ZINC000032998352 524632168 /nfs/dbraw/zinc/63/21/68/524632168.db2.gz OULZURGHVWIHHW-UHFFFAOYSA-N 0 0 429.270 4.864 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@@H]3c3cccs3)cc2)cc1 ZINC000012679259 524635372 /nfs/dbraw/zinc/63/53/72/524635372.db2.gz BUSOANDQJAYCMH-OAQYLSRUSA-N 0 0 435.549 4.785 50 0 IJAARN C[C@H]1CN(Cc2csc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)n2)C[C@H](C)O1 ZINC000012765137 524645138 /nfs/dbraw/zinc/64/51/38/524645138.db2.gz FVTIPPYZIDPFLZ-KBPBESRZSA-N 0 0 441.578 4.626 50 0 IJAARN Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CCC(=O)N2)cc1 ZINC000012338050 524668117 /nfs/dbraw/zinc/66/81/17/524668117.db2.gz NYFNIGKKBLNPBS-RLWLMLJZSA-N 0 0 447.604 4.940 50 0 IJAARN C[C@H]1CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012419686 524679766 /nfs/dbraw/zinc/67/97/66/524679766.db2.gz SMPBLAKGUHEPHH-STQMWFEESA-N 0 0 438.958 4.503 50 0 IJAARN COc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1OC ZINC000016363487 524721828 /nfs/dbraw/zinc/72/18/28/524721828.db2.gz DBMWLIGXFNAHKQ-UHFFFAOYSA-N 0 0 439.475 4.578 50 0 IJAARN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1C(=O)NCc1ccccc1 ZINC000036051628 524758782 /nfs/dbraw/zinc/75/87/82/524758782.db2.gz WCHCOENKXQEHJE-GOTSBHOMSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(Br)cc3)o2)c1 ZINC000012674156 524769071 /nfs/dbraw/zinc/76/90/71/524769071.db2.gz YGTPPPMTLGECQE-ZDUSSCGKSA-N 0 0 448.342 4.839 50 0 IJAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)CCc2ccco2)C3)c1 ZINC000012454033 524791170 /nfs/dbraw/zinc/79/11/70/524791170.db2.gz XCVWDHDMNOJDJL-LJQANCHMSA-N 0 0 441.911 4.670 50 0 IJAARN COc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(Cl)cc3)csc21 ZINC000012371745 524804110 /nfs/dbraw/zinc/80/41/10/524804110.db2.gz ICKOMADQURLDAI-OAHLLOKOSA-N 0 0 433.938 4.717 50 0 IJAARN COc1ccc(OC)c(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721068 524853527 /nfs/dbraw/zinc/85/35/27/524853527.db2.gz SZKNUKZUOZUKBH-JOCHJYFZSA-N 0 0 434.467 4.569 50 0 IJAARN Cc1ccc(N(Cc2ccco2)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000012821758 524899235 /nfs/dbraw/zinc/89/92/35/524899235.db2.gz ZYFCTLFVKFYLBA-UHFFFAOYSA-N 0 0 427.504 4.871 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2nc(-c3ccccc3)no2)CC1 ZINC000033299169 524902961 /nfs/dbraw/zinc/90/29/61/524902961.db2.gz XNAWQYZVVRHTJC-UHFFFAOYSA-N 0 0 425.916 4.559 50 0 IJAARN Cc1cc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)on1 ZINC000012614043 524922798 /nfs/dbraw/zinc/92/27/98/524922798.db2.gz FVHGRKNBEOFWMP-UHFFFAOYSA-N 0 0 426.567 4.517 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021865817 524930672 /nfs/dbraw/zinc/93/06/72/524930672.db2.gz KJMJEKBBNXXKSR-HHHXNRCGSA-N 0 0 439.515 4.792 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1C ZINC000021863785 524931054 /nfs/dbraw/zinc/93/10/54/524931054.db2.gz QFUKONVORRVJIN-SANMLTNESA-N 0 0 431.536 4.843 50 0 IJAARN Cc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccc(F)cc4)c3)CC2)cc1C ZINC000034668124 524962993 /nfs/dbraw/zinc/96/29/93/524962993.db2.gz UOZPXOVDRHXTTQ-UHFFFAOYSA-N 0 0 431.555 4.695 50 0 IJAARN C[C@H](NC(=O)COC(=O)CCCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000012566494 524965537 /nfs/dbraw/zinc/96/55/37/524965537.db2.gz KECORSVFEOFXKK-DUXBZUBYSA-N 0 0 440.609 4.883 50 0 IJAARN Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccc(C)c(C)c3)nc21 ZINC000022714640 524999496 /nfs/dbraw/zinc/99/94/96/524999496.db2.gz MKYGEYGWCKSDQK-UHFFFAOYSA-N 0 0 437.609 4.520 50 0 IJAARN C[C@@H]1CN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc43)oc2=S)C[C@H](C)O1 ZINC000012640866 525039093 /nfs/dbraw/zinc/03/90/93/525039093.db2.gz PIZLIVGAKPADGT-IYBDPMFKSA-N 0 0 433.537 4.549 50 0 IJAARN Cc1ccccc1C(=O)N1CCC(c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000015827892 525046235 /nfs/dbraw/zinc/04/62/35/525046235.db2.gz OEFWUNAHPSRRHX-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1Br ZINC000012874281 525069882 /nfs/dbraw/zinc/06/98/82/525069882.db2.gz CAEWHDCRJOFKLE-JTQLQIEISA-N 0 0 438.265 4.516 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1F ZINC000021643923 525072960 /nfs/dbraw/zinc/07/29/60/525072960.db2.gz SJWURTBBXSKJED-IBGZPJMESA-N 0 0 438.528 4.511 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 ZINC000022574223 525094343 /nfs/dbraw/zinc/09/43/43/525094343.db2.gz VCLGDUUWJVJCNK-UHFFFAOYSA-N 0 0 440.471 4.967 50 0 IJAARN Cc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4ccccc4)cc-3c2=O)cc1C ZINC000020936864 525107476 /nfs/dbraw/zinc/10/74/76/525107476.db2.gz PNUQPPZTCHDZDG-UHFFFAOYSA-N 0 0 436.515 4.607 50 0 IJAARN C[C@@H](NC(=O)COC(=O)CCCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000012566493 525115742 /nfs/dbraw/zinc/11/57/42/525115742.db2.gz KECORSVFEOFXKK-ASXFNGKXSA-N 0 0 440.609 4.883 50 0 IJAARN C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2ccnc2)cc1 ZINC000012550837 525117666 /nfs/dbraw/zinc/11/76/66/525117666.db2.gz ZYBOFYMMFIBWSA-CYBMUJFWSA-N 0 0 434.721 4.544 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021859563 525134950 /nfs/dbraw/zinc/13/49/50/525134950.db2.gz XSILVSGTDBWOKA-MUUNZHRXSA-N 0 0 437.543 4.681 50 0 IJAARN C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000012605277 525135874 /nfs/dbraw/zinc/13/58/74/525135874.db2.gz SVIUSLJRXZVIJD-OAHLLOKOSA-N 0 0 446.931 4.700 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)ccc32)cc1 ZINC000032978086 525144957 /nfs/dbraw/zinc/14/49/57/525144957.db2.gz PWTPIYSQAXIUGH-UHFFFAOYSA-N 0 0 441.531 4.729 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021526492 525202440 /nfs/dbraw/zinc/20/24/40/525202440.db2.gz VRKWGLWJEHALQM-HHHXNRCGSA-N 0 0 447.579 4.921 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)c3ccco3)[C@@H](C)C2)cc2ccsc21 ZINC000035844186 525208853 /nfs/dbraw/zinc/20/88/53/525208853.db2.gz ZJBHZELRLRICFT-SFHVURJKSA-N 0 0 447.560 4.639 50 0 IJAARN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022917869 525211620 /nfs/dbraw/zinc/21/16/20/525211620.db2.gz HSMGNJFIAORGRB-DEOSSOPVSA-N 0 0 449.620 4.963 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000035553513 525212414 /nfs/dbraw/zinc/21/24/14/525212414.db2.gz QBPRUUSKWANVDQ-RUZDIDTESA-N 0 0 447.535 4.573 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000012420601 525237267 /nfs/dbraw/zinc/23/72/67/525237267.db2.gz VRIFODJBHYCKRF-INIZCTEOSA-N 0 0 433.938 4.717 50 0 IJAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000012815902 525256679 /nfs/dbraw/zinc/25/66/79/525256679.db2.gz MTKGYHOXHVFWKG-QGZVFWFLSA-N 0 0 432.480 4.584 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32C)cc1 ZINC000036006859 525265846 /nfs/dbraw/zinc/26/58/46/525265846.db2.gz FGXUFWKNTABFFK-FBLLAGFSSA-N 0 0 448.906 4.790 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3F)C2)s1 ZINC000033113262 525266970 /nfs/dbraw/zinc/26/69/70/525266970.db2.gz RCPOHLAVSHXAEA-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1OC ZINC000020892762 525270473 /nfs/dbraw/zinc/27/04/73/525270473.db2.gz GFJHFZOEJKKWLO-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000012790998 525276631 /nfs/dbraw/zinc/27/66/31/525276631.db2.gz MRPKMJBIHCPMHG-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2cccs2)N2CCCC2)cc1 ZINC000012819695 525358883 /nfs/dbraw/zinc/35/88/83/525358883.db2.gz LJNVGWXXZMZXDQ-QFIPXVFZSA-N 0 0 434.561 4.555 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)C1 ZINC000035239823 525371049 /nfs/dbraw/zinc/37/10/49/525371049.db2.gz FTRPLLOFQLVKHP-OWCLPIDISA-N 0 0 429.630 4.573 50 0 IJAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)ccc1F ZINC000020604165 525425487 /nfs/dbraw/zinc/42/54/87/525425487.db2.gz HEGOGOPPUXHRHS-LJQANCHMSA-N 0 0 437.945 4.794 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)nc12 ZINC000033067835 525459967 /nfs/dbraw/zinc/45/99/67/525459967.db2.gz YYNGFLNBPZLNOO-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3)nc12 ZINC000021156781 525461307 /nfs/dbraw/zinc/46/13/07/525461307.db2.gz YGNYIQGTIOCUMM-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(Oc2cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc(C)n2)cc1 ZINC000012224349 525471848 /nfs/dbraw/zinc/47/18/48/525471848.db2.gz WAEVCXJOQFOLNN-UHFFFAOYSA-N 0 0 437.931 4.893 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)c2oc1-c1ccccc1 ZINC000015057381 525524703 /nfs/dbraw/zinc/52/47/03/525524703.db2.gz JLCLRSSLGZBJLL-GOSISDBHSA-N 0 0 441.483 4.803 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccccc4Cl)c3)nc2c1 ZINC000021100172 525607483 /nfs/dbraw/zinc/60/74/83/525607483.db2.gz HMYFRVUPQRSGME-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884605 525611232 /nfs/dbraw/zinc/61/12/32/525611232.db2.gz MPFQPXVUUIFURK-AWEZNQCLSA-N 0 0 440.421 4.666 50 0 IJAARN Cc1c(C(=O)NCCc2cccc(Cl)c2)cnc2c(-c3cccc(Cl)c3)cnn21 ZINC000023447117 525617630 /nfs/dbraw/zinc/61/76/30/525617630.db2.gz VSHSGIZYIICGGV-UHFFFAOYSA-N 0 0 425.319 4.984 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(C)cc1)C3=O ZINC000020902945 525644156 /nfs/dbraw/zinc/64/41/56/525644156.db2.gz DSOLKPLRBYVPLN-HHHXNRCGSA-N 0 0 445.563 4.826 50 0 IJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1 ZINC000012441170 525654590 /nfs/dbraw/zinc/65/45/90/525654590.db2.gz UFELNHPMEVXIJV-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3cc(C)cc(C)c3)cc(=O)n2o1 ZINC000035429412 525675726 /nfs/dbraw/zinc/67/57/26/525675726.db2.gz GOQXWBSXGVUMFL-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)COc2ccccc2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012389064 525679976 /nfs/dbraw/zinc/67/99/76/525679976.db2.gz YIGMGBRPWJAMRT-UHFFFAOYSA-N 0 0 444.528 4.675 50 0 IJAARN C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(Cl)cc1 ZINC000012781077 525680151 /nfs/dbraw/zinc/68/01/51/525680151.db2.gz GQZMTLFQNCOAAN-AWEZNQCLSA-N 0 0 428.989 4.839 50 0 IJAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3n2)c1 ZINC000032985639 525706873 /nfs/dbraw/zinc/70/68/73/525706873.db2.gz IMSQOCVXRNNTBX-UHFFFAOYSA-N 0 0 444.487 4.945 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000012909978 525731923 /nfs/dbraw/zinc/73/19/23/525731923.db2.gz SDSRRHBUDWRSRJ-XMMPIXPASA-N 0 0 439.515 4.861 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000012825148 525769771 /nfs/dbraw/zinc/76/97/71/525769771.db2.gz BEUJGKYGYFDCDT-LJQANCHMSA-N 0 0 446.547 4.882 50 0 IJAARN Cc1ccc([C@@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2cccs2)cc1 ZINC000057289792 525772518 /nfs/dbraw/zinc/77/25/18/525772518.db2.gz PPMHBSOESOCOKT-JOCHJYFZSA-N 0 0 437.956 4.608 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccccc3F)n2)cc1C ZINC000022065554 525781083 /nfs/dbraw/zinc/78/10/83/525781083.db2.gz PUYAAIDASUISJH-UHFFFAOYSA-N 0 0 429.542 4.876 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)NCc4ccc(C)c(F)c4)c(=O)c23)cc1 ZINC000012488921 525788093 /nfs/dbraw/zinc/78/80/93/525788093.db2.gz NFHGJJLBSUFSES-UHFFFAOYSA-N 0 0 435.524 4.587 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1Cl ZINC000020903018 525789712 /nfs/dbraw/zinc/78/97/12/525789712.db2.gz SJDMZBIJJYLVKO-VWLOTQADSA-N 0 0 435.955 4.768 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccc(F)c1 ZINC000021526639 525793923 /nfs/dbraw/zinc/79/39/23/525793923.db2.gz UZOLGEFTOISLKX-VWLOTQADSA-N 0 0 437.515 4.627 50 0 IJAARN COc1cccc(C(=O)NCc2cccc(-c3nc(-c4cc(OC)ccc4OC)c[nH]3)c2)c1 ZINC000023456833 525823216 /nfs/dbraw/zinc/82/32/16/525823216.db2.gz RBVONTXWJHFOFQ-UHFFFAOYSA-N 0 0 443.503 4.700 50 0 IJAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(OC)c3)c2)c1 ZINC000035927261 525836516 /nfs/dbraw/zinc/83/65/16/525836516.db2.gz JGCXHRGBCMYOGO-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN Cc1c(NC(=O)N[C@H]2CCCc3ccccc32)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385561 525849777 /nfs/dbraw/zinc/84/97/77/525849777.db2.gz JDEHKERKCMBAEA-KSSFIOAISA-N 0 0 436.581 4.938 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000035180997 525871059 /nfs/dbraw/zinc/87/10/59/525871059.db2.gz YIILHPXVJLKNRV-GOSISDBHSA-N 0 0 447.510 4.964 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)c1 ZINC000035181038 525871589 /nfs/dbraw/zinc/87/15/89/525871589.db2.gz OMBSOCVODKVTGB-GOSISDBHSA-N 0 0 447.510 4.964 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216379 525928921 /nfs/dbraw/zinc/92/89/21/525928921.db2.gz PSTGAQFQRHVLKX-DBXWQHBBSA-N 0 0 442.563 4.740 50 0 IJAARN C[C@@H](Oc1cccc(I)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012799601 525948190 /nfs/dbraw/zinc/94/81/90/525948190.db2.gz IFVMJMDCASBGKI-SNVBAGLBSA-N 0 0 435.183 4.716 50 0 IJAARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000012911604 525994503 /nfs/dbraw/zinc/99/45/03/525994503.db2.gz QGYZHBXREXDJIJ-ZDUSSCGKSA-N 0 0 434.945 4.626 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398298 525999770 /nfs/dbraw/zinc/99/97/70/525999770.db2.gz ZMEKILPDZFXLTL-NRFANRHFSA-N 0 0 432.593 4.707 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000022239588 526004539 /nfs/dbraw/zinc/00/45/39/526004539.db2.gz KLXLOWJVDNCILE-SJLPKXTDSA-N 0 0 432.549 4.819 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)c1 ZINC000035180928 526006014 /nfs/dbraw/zinc/00/60/14/526006014.db2.gz FHHQQODIUKEGFG-UHFFFAOYSA-N 0 0 443.547 4.766 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)c1OC ZINC000035505048 526006709 /nfs/dbraw/zinc/00/67/09/526006709.db2.gz OHADSXAYYXVONZ-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN CSc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012911621 526027906 /nfs/dbraw/zinc/02/79/06/526027906.db2.gz ZEDZXYSFKZTUGZ-UHFFFAOYSA-N 0 0 431.579 4.911 50 0 IJAARN Cc1ccc(C(=O)COC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1C ZINC000012854949 526047900 /nfs/dbraw/zinc/04/79/00/526047900.db2.gz ZNLRIUISQAHEOC-UHFFFAOYSA-N 0 0 429.925 4.961 50 0 IJAARN Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCC4)cc1 ZINC000012583848 526049246 /nfs/dbraw/zinc/04/92/46/526049246.db2.gz CJXBHFWPKPQWNF-UHFFFAOYSA-N 0 0 436.558 4.871 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)o1 ZINC000012462497 526052188 /nfs/dbraw/zinc/05/21/88/526052188.db2.gz NKPNTUXYQBYKLH-JOCHJYFZSA-N 0 0 430.287 4.902 50 0 IJAARN Cc1cc(/C=C/C(=O)N2CCN(c3cccc(C)c3)CC2)c(C)n1-c1ccnn1C(C)C ZINC000012553242 526083424 /nfs/dbraw/zinc/08/34/24/526083424.db2.gz WJBNQVXVBQVDLM-MDZDMXLPSA-N 0 0 431.584 4.542 50 0 IJAARN CSc1cccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000015821907 526120757 /nfs/dbraw/zinc/12/07/57/526120757.db2.gz FIYFNBVHNQEXLI-UHFFFAOYSA-N 0 0 435.528 4.703 50 0 IJAARN CSc1cccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1 ZINC000033088587 526137058 /nfs/dbraw/zinc/13/70/58/526137058.db2.gz RWTKEOZNQAFLHY-UHFFFAOYSA-N 0 0 435.456 4.846 50 0 IJAARN CSc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033141807 526138820 /nfs/dbraw/zinc/13/88/20/526138820.db2.gz JXJUIDSKZPAUTM-UHFFFAOYSA-N 0 0 432.592 4.856 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012549585 526158632 /nfs/dbraw/zinc/15/86/32/526158632.db2.gz YNBRZMKZDSKCPZ-AWEZNQCLSA-N 0 0 448.748 4.853 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012549583 526158751 /nfs/dbraw/zinc/15/87/51/526158751.db2.gz YNBRZMKZDSKCPZ-CQSZACIVSA-N 0 0 448.748 4.853 50 0 IJAARN Cc1ccc2c(c1)CN(CC(=O)N1CCC(c3ccncc3)CC1)C[C@H](c1ccsc1)O2 ZINC000012098523 526164229 /nfs/dbraw/zinc/16/42/29/526164229.db2.gz OOHQNAYLRLLDEF-RUZDIDTESA-N 0 0 447.604 4.793 50 0 IJAARN C[C@H](c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1)N1CCCCC1 ZINC000012522847 526188278 /nfs/dbraw/zinc/18/82/78/526188278.db2.gz KDLVVMZJYHYMDN-SFHLNBCPSA-N 0 0 441.645 4.601 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012638188 526209921 /nfs/dbraw/zinc/20/99/21/526209921.db2.gz SUBDXYNWHVYPSZ-VZOQVYJPSA-N 0 0 449.478 4.523 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)c1 ZINC000021851156 526213282 /nfs/dbraw/zinc/21/32/82/526213282.db2.gz XKYZHKQRFOAQON-HNNXBMFYSA-N 0 0 432.596 4.808 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3s2)cc1 ZINC000033116478 526230053 /nfs/dbraw/zinc/23/00/53/526230053.db2.gz HVVNYIYDCVBQMV-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@@H]3CSCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000020519445 526239514 /nfs/dbraw/zinc/23/95/14/526239514.db2.gz FGIYHNXMIJHZJO-IPVQETTRSA-N 0 0 440.568 4.814 50 0 IJAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)cc(=O)n2c1 ZINC000021100487 526249836 /nfs/dbraw/zinc/24/98/36/526249836.db2.gz ZRYZRKKOGYZUJF-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN O=C(NCCCn1c2ncccc2nc1-c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000033025571 526283100 /nfs/dbraw/zinc/28/31/00/526283100.db2.gz HZJMVBSKLOOOGI-UHFFFAOYSA-N 0 0 425.414 4.727 50 0 IJAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc1c2C ZINC000012885831 526291663 /nfs/dbraw/zinc/29/16/63/526291663.db2.gz BBJQATFNYONAKO-UHFFFAOYSA-N 0 0 428.488 4.847 50 0 biogenic IJAARN Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc3)n2)o1 ZINC000023454501 526314769 /nfs/dbraw/zinc/31/47/69/526314769.db2.gz UDIFUKMNQNJHCU-NRFANRHFSA-N 0 0 427.508 4.771 50 0 IJAARN O=C(NCCSCc1ccc(Cl)cc1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020518 526372293 /nfs/dbraw/zinc/37/22/93/526372293.db2.gz IXIYFADQAVOOLE-UHFFFAOYSA-N 0 0 449.981 4.570 50 0 IJAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018954 526392168 /nfs/dbraw/zinc/39/21/68/526392168.db2.gz RZIBSIWSXUEBKH-DEOSSOPVSA-N 0 0 443.934 4.752 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398639 526401640 /nfs/dbraw/zinc/40/16/40/526401640.db2.gz IVAVIGKBAGFVIL-UHFFFAOYSA-N 0 0 438.934 4.511 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290516 526403481 /nfs/dbraw/zinc/40/34/81/526403481.db2.gz FOUNOMCREVQVTL-KRWDZBQOSA-N 0 0 434.927 4.605 50 0 IJAARN Cc1nnc2ccc(-c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3)nn12 ZINC000012237514 526410743 /nfs/dbraw/zinc/41/07/43/526410743.db2.gz CORNFXJNFWTQSQ-UHFFFAOYSA-N 0 0 442.704 4.768 50 0 IJAARN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035869864 526425665 /nfs/dbraw/zinc/42/56/65/526425665.db2.gz SCQJEDTYCGTEHO-AOYPEHQESA-N 0 0 445.994 4.566 50 0 IJAARN O=C(NCCc1nc2cccnc2n1-c1ccccc1)Nc1cccc(Br)c1 ZINC000033263755 526461325 /nfs/dbraw/zinc/46/13/25/526461325.db2.gz POUHLHVTPQZGBQ-UHFFFAOYSA-N 0 0 436.313 4.547 50 0 IJAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCCc1ccccc1 ZINC000032995185 526468698 /nfs/dbraw/zinc/46/86/98/526468698.db2.gz PMJCAALTUOVTQR-UHFFFAOYSA-N 0 0 442.972 4.516 50 0 IJAARN O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000012440953 526472588 /nfs/dbraw/zinc/47/25/88/526472588.db2.gz MQOOAROSYWKBKU-UHFFFAOYSA-N 0 0 437.368 4.626 50 0 IJAARN Cc1noc(C)c1CC(=O)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000012161664 526477770 /nfs/dbraw/zinc/47/77/70/526477770.db2.gz JERFTOWMXDVEJA-UHFFFAOYSA-N 0 0 444.535 4.626 50 0 IJAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)NCCc1ccc(Cl)cc1 ZINC000020993255 526496812 /nfs/dbraw/zinc/49/68/12/526496812.db2.gz UZMHOBGEKAPTLY-UHFFFAOYSA-N 0 0 437.952 4.595 50 0 IJAARN O=C(CCSCc1cc2c(cc1Br)OCCO2)Nc1ccccc1F ZINC000012900435 526538946 /nfs/dbraw/zinc/53/89/46/526538946.db2.gz KIEXPTSUQGZICT-UHFFFAOYSA-N 0 0 426.307 4.621 50 0 IJAARN O=C(NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1)c1cccc(-c2ccccc2F)c1 ZINC000012183872 526560878 /nfs/dbraw/zinc/56/08/78/526560878.db2.gz RREBIXHUOBLYLA-NRFANRHFSA-N 0 0 425.463 4.683 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NC1Cc2ccccc2C1 ZINC000012282431 526563067 /nfs/dbraw/zinc/56/30/67/526563067.db2.gz YDFKJAFQQABFBX-LJAQVGFWSA-N 0 0 438.571 4.609 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000024330516 526567429 /nfs/dbraw/zinc/56/74/29/526567429.db2.gz UNWVYBRRYWDJAV-KRWDZBQOSA-N 0 0 431.565 4.770 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000035454703 526568042 /nfs/dbraw/zinc/56/80/42/526568042.db2.gz XUNMEGMZNMIKQL-SFHVURJKSA-N 0 0 439.625 4.928 50 0 IJAARN O=C(CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCc1cc(F)ccc1F ZINC000012149985 526576334 /nfs/dbraw/zinc/57/63/34/526576334.db2.gz PIXNYNJGMKBLPM-HHHXNRCGSA-N 0 0 448.513 4.920 50 0 IJAARN Cc1nc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@H]2CCCO2)cs1 ZINC000012244202 526636382 /nfs/dbraw/zinc/63/63/82/526636382.db2.gz UVFVXFNIYAGDLJ-OAQYLSRUSA-N 0 0 442.606 4.956 50 0 IJAARN Cc1nc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)cs1 ZINC000012244201 526637109 /nfs/dbraw/zinc/63/71/09/526637109.db2.gz UVFVXFNIYAGDLJ-NRFANRHFSA-N 0 0 442.606 4.956 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000016301830 526653843 /nfs/dbraw/zinc/65/38/43/526653843.db2.gz QELLHNDYYRCFEG-UHFFFAOYSA-N 0 0 436.437 4.942 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012758032 526653932 /nfs/dbraw/zinc/65/39/32/526653932.db2.gz QCKNPLCYHSUFTJ-JNCPLXCYSA-N 0 0 434.502 4.529 50 0 IJAARN O=C(CCc1nc2ccccc2s1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012092264 526655646 /nfs/dbraw/zinc/65/56/46/526655646.db2.gz VDZACNRQXSEDOR-KRWDZBQOSA-N 0 0 438.503 4.887 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2Cl)CC1 ZINC000012561695 526656408 /nfs/dbraw/zinc/65/64/08/526656408.db2.gz MJJWGSCXQMEVQK-UHFFFAOYSA-N 0 0 430.335 4.930 50 0 IJAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000018217252 526657212 /nfs/dbraw/zinc/65/72/12/526657212.db2.gz ASBALSJMOGABQI-UHFFFAOYSA-N 0 0 444.453 4.728 50 0 IJAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCCC[C@H]1CCc1ccccn1 ZINC000012319152 526664092 /nfs/dbraw/zinc/66/40/92/526664092.db2.gz YNVTUWZOMPRCEM-DEOSSOPVSA-N 0 0 446.595 4.977 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(-c4ccccc4Cl)n3)ccc21)N1CCCCC1 ZINC000035460380 526682244 /nfs/dbraw/zinc/68/22/44/526682244.db2.gz XZRMBCYOABDXHV-UHFFFAOYSA-N 0 0 435.915 4.809 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000035514358 526701396 /nfs/dbraw/zinc/70/13/96/526701396.db2.gz LRSVHSVULWZYOU-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC(OCc2ccccn2)CC1 ZINC000012306890 526728873 /nfs/dbraw/zinc/72/88/73/526728873.db2.gz QUMCYRTVLKHVKL-UHFFFAOYSA-N 0 0 441.915 4.608 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)Cc1cccc(-n2cccn2)c1 ZINC000012463311 526729036 /nfs/dbraw/zinc/72/90/36/526729036.db2.gz TUXBRJFLDOGGRA-UHFFFAOYSA-N 0 0 436.899 4.850 50 0 IJAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCCN(C(=O)c2ccco2)CC1 ZINC000012454997 526730150 /nfs/dbraw/zinc/73/01/50/526730150.db2.gz QDCKPOOAISQCHI-UHFFFAOYSA-N 0 0 433.430 4.610 50 0 IJAARN O=C(NCc1ccco1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000034710422 526779133 /nfs/dbraw/zinc/77/91/33/526779133.db2.gz LRJYBNNEYNVQAP-MOPGFXCFSA-N 0 0 437.927 4.887 50 0 IJAARN O=C(c1ccccc1Cc1ccccc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000012807836 526801842 /nfs/dbraw/zinc/80/18/42/526801842.db2.gz RUXCEDALJGNUSQ-UHFFFAOYSA-N 0 0 443.572 4.952 50 0 IJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1N1CCCC1 ZINC000012681984 526802044 /nfs/dbraw/zinc/80/20/44/526802044.db2.gz GCCMYOJBBRUIPY-UHFFFAOYSA-N 0 0 441.510 4.604 50 0 IJAARN O=C(c1ccccc1Cl)N(CCc1nc(-c2ccncc2)no1)CCc1ccccc1 ZINC000036000474 526802797 /nfs/dbraw/zinc/80/27/97/526802797.db2.gz MSDDCSVRAFDLIX-UHFFFAOYSA-N 0 0 432.911 4.713 50 0 IJAARN O=C(c1ccccc1OC1CCN(Cc2nc3c(s2)CCCC3)CC1)N1CCCCC1 ZINC000020449830 526810902 /nfs/dbraw/zinc/81/09/02/526810902.db2.gz HMFCTEYGZJCDQZ-UHFFFAOYSA-N 0 0 439.625 4.691 50 0 IJAARN Cc1occc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012552394 526813861 /nfs/dbraw/zinc/81/38/61/526813861.db2.gz SYUTXJQKAPTOOM-UHFFFAOYSA-N 0 0 449.326 4.712 50 0 IJAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000020864699 526828593 /nfs/dbraw/zinc/82/85/93/526828593.db2.gz LACWIAULYSBDEF-UHFFFAOYSA-N 0 0 445.422 4.730 50 0 IJAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(Br)cc1 ZINC000021163466 526828616 /nfs/dbraw/zinc/82/86/16/526828616.db2.gz BVLNETAMCHNIRO-UHFFFAOYSA-N 0 0 440.322 4.594 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000012570929 526843625 /nfs/dbraw/zinc/84/36/25/526843625.db2.gz JBPVZTXUGCZAHF-GFCCVEGCSA-N 0 0 428.847 4.577 50 0 IJAARN O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000012525039 526900800 /nfs/dbraw/zinc/90/08/00/526900800.db2.gz DTYROHBHKLDFIB-UHFFFAOYSA-N 0 0 428.536 4.980 50 0 IJAARN O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Nc1ccccc1 ZINC000012376712 526915916 /nfs/dbraw/zinc/91/59/16/526915916.db2.gz SDVGZMCQKLHSKW-UHFFFAOYSA-N 0 0 439.427 4.945 50 0 IJAARN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012577195 526954371 /nfs/dbraw/zinc/95/43/71/526954371.db2.gz QQJHPUJDEMYBQR-MRXNPFEDSA-N 0 0 434.721 4.721 50 0 IJAARN Cc1nc(NCc2ccc3c(c2)OCO3)sc1-c1ccn(C2Cc3ccccc3C2)n1 ZINC000012041881 526999273 /nfs/dbraw/zinc/99/92/73/526999273.db2.gz GPPRPKGSBPYNSW-UHFFFAOYSA-N 0 0 430.533 4.996 50 0 IJAARN O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCc2ccccc21 ZINC000012773815 527031084 /nfs/dbraw/zinc/03/10/84/527031084.db2.gz JNWDPVYWDLGAIB-UHFFFAOYSA-N 0 0 439.587 4.536 50 0 IJAARN O=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)Nc1ccc2c(c1)OCCO2 ZINC000012845655 527031527 /nfs/dbraw/zinc/03/15/27/527031527.db2.gz LVOYLOHIKSYEGO-UHFFFAOYSA-N 0 0 429.501 4.799 50 0 IJAARN O=C1C[C@H](c2cc(F)ccc2F)c2c(=O)[nH]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021785005 527031915 /nfs/dbraw/zinc/03/19/15/527031915.db2.gz NTJKUBYHHDBLIL-CQSZACIVSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@H](c2ccccc2Br)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725736 527032361 /nfs/dbraw/zinc/03/23/61/527032361.db2.gz XRVIXEKBPYPWFW-GFCCVEGCSA-N 0 0 425.311 4.719 50 0 IJAARN O=C1NCCCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000012528442 527063821 /nfs/dbraw/zinc/06/38/21/527063821.db2.gz GEIXFHDQRFATTN-LJQANCHMSA-N 0 0 437.956 4.830 50 0 IJAARN O=C(C[C@H](c1ccco1)c1ccccc1)N1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012570594 527150214 /nfs/dbraw/zinc/15/02/14/527150214.db2.gz CTAYXNWTXGBCFZ-DEOSSOPVSA-N 0 0 433.548 4.872 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883354 527164513 /nfs/dbraw/zinc/16/45/13/527164513.db2.gz VPDDHOFONCRLRX-UHFFFAOYSA-N 0 0 441.384 4.855 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21)c1ccc(F)cc1 ZINC000001150650 527187409 /nfs/dbraw/zinc/18/74/09/527187409.db2.gz DNZZMOHUMGQUBX-HHHXNRCGSA-N 0 0 425.459 4.986 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000012425066 527188034 /nfs/dbraw/zinc/18/80/34/527188034.db2.gz BCQJRLWUNZEXFC-OAQYLSRUSA-N 0 0 444.597 4.527 50 0 IJAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc2ccc(Br)cc2)c1C ZINC000021941679 527200460 /nfs/dbraw/zinc/20/04/60/527200460.db2.gz STATURCKMBDSHV-UHFFFAOYSA-N 0 0 426.293 4.977 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1cccc(OCc2cscn2)c1 ZINC000012769603 527219763 /nfs/dbraw/zinc/21/97/63/527219763.db2.gz CNKIJKXAYBYNDV-UHFFFAOYSA-N 0 0 436.274 4.579 50 0 IJAARN O=S(=O)(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000022767523 527223904 /nfs/dbraw/zinc/22/39/04/527223904.db2.gz LLYKLSRTZVYOIG-DEOSSOPVSA-N 0 0 448.613 4.979 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195865 527225649 /nfs/dbraw/zinc/22/56/49/527225649.db2.gz MZKACSIEZFCAMF-UHFFFAOYSA-N 0 0 447.988 4.513 50 0 IJAARN O=S(=O)(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021038149 527234447 /nfs/dbraw/zinc/23/44/47/527234447.db2.gz QWHJRJKLSNXGOL-LJQANCHMSA-N 0 0 443.887 4.597 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001137974 527265588 /nfs/dbraw/zinc/26/55/88/527265588.db2.gz PPHNQTPPBDIXHO-UHFFFAOYSA-N 0 0 439.286 4.523 50 0 IJAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CC[C@H](c2ccccc2)C1 ZINC000020977922 527267623 /nfs/dbraw/zinc/26/76/23/527267623.db2.gz RMODIWHKOXKHDZ-ZDUSSCGKSA-N 0 0 428.457 4.600 50 0 IJAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012856230 527278741 /nfs/dbraw/zinc/27/87/41/527278741.db2.gz BKHYXOSJQUEIIP-HNNXBMFYSA-N 0 0 428.457 4.721 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399302 527281550 /nfs/dbraw/zinc/28/15/50/527281550.db2.gz UCEREMVVYKELTB-UHFFFAOYSA-N 0 0 447.535 4.875 50 0 biogenic IJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011879327 527289440 /nfs/dbraw/zinc/28/94/40/527289440.db2.gz QSOLYSMDCCZTHY-SFHVURJKSA-N 0 0 428.488 4.794 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915516 527289851 /nfs/dbraw/zinc/28/98/51/527289851.db2.gz UAJPCHTXXKSGAX-UHFFFAOYSA-N 0 0 429.476 4.504 50 0 IJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000009669778 527316639 /nfs/dbraw/zinc/31/66/39/527316639.db2.gz SXBYUMZOOWVBQQ-UHFFFAOYSA-N 0 0 438.915 4.739 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000022490950 527323905 /nfs/dbraw/zinc/32/39/05/527323905.db2.gz JBRATVPKOXDYAJ-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1coc(-c2cccs2)n1 ZINC000022191171 527356956 /nfs/dbraw/zinc/35/69/56/527356956.db2.gz UEWUSUMVSOMLJR-UHFFFAOYSA-N 0 0 444.516 4.648 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)Nc1ccccc1Cl ZINC000015680794 527369863 /nfs/dbraw/zinc/36/98/63/527369863.db2.gz SCFPEXKNZVCQFN-UHFFFAOYSA-N 0 0 438.936 4.907 50 0 IJAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccccc1Sc1ccccc1 ZINC000033471855 527400895 /nfs/dbraw/zinc/40/08/95/527400895.db2.gz QUESSSHGCJVKEK-UHFFFAOYSA-N 0 0 427.485 4.933 50 0 IJAARN O=C(Nc1ccccc1-c1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898464 527401356 /nfs/dbraw/zinc/40/13/56/527401356.db2.gz TVRCXZHWNNKPHZ-UHFFFAOYSA-N 0 0 434.561 4.534 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012567841 527406134 /nfs/dbraw/zinc/40/61/34/527406134.db2.gz ORVFSAGTVMLGGL-ARFHVFGLSA-N 0 0 427.595 4.662 50 0 IJAARN O=C(Nc1ccccc1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2)c1ccco1 ZINC000017654109 527410588 /nfs/dbraw/zinc/41/05/88/527410588.db2.gz PNAALCNJFABPEQ-UHFFFAOYSA-N 0 0 427.840 4.704 50 0 IJAARN O=C(Nc1ccccc1O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012507914 527429836 /nfs/dbraw/zinc/42/98/36/527429836.db2.gz FVGUCSCTUWFONP-UHFFFAOYSA-N 0 0 437.304 4.752 50 0 IJAARN O=c1c2sccc2n2c(SCc3cccc(F)c3)nnc2n1CCc1ccccc1 ZINC000035529407 527472587 /nfs/dbraw/zinc/47/25/87/527472587.db2.gz LQXCZNVKPQPFOI-UHFFFAOYSA-N 0 0 436.537 4.780 50 0 IJAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000012271520 527497822 /nfs/dbraw/zinc/49/78/22/527497822.db2.gz CKGMYIPZVLIFID-UHFFFAOYSA-N 0 0 448.516 4.814 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1cccn(Cc2ccc(Br)cc2)c1=O ZINC000015882907 527517132 /nfs/dbraw/zinc/51/71/32/527517132.db2.gz SSFPLWHCYPDOQM-UHFFFAOYSA-N 0 0 440.322 4.521 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCc1cccc(Br)c1 ZINC000015681446 527521509 /nfs/dbraw/zinc/52/15/09/527521509.db2.gz ZMPXIWXCQSICRK-UHFFFAOYSA-N 0 0 449.352 4.972 50 0 IJAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000021788154 527522063 /nfs/dbraw/zinc/52/20/63/527522063.db2.gz BLHKOQUJXLHUJT-HXUWFJFHSA-N 0 0 427.913 4.646 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C(C)C)nc(NCCNC(=O)c3ccccc3F)c12 ZINC000036006069 527523140 /nfs/dbraw/zinc/52/31/40/527523140.db2.gz HMPMGARIKUNHHI-UHFFFAOYSA-N 0 0 446.530 4.537 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000012676087 527544882 /nfs/dbraw/zinc/54/48/82/527544882.db2.gz UQNVOAGOVIHVDL-FQEVSTJZSA-N 0 0 431.565 4.874 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000021660815 527571703 /nfs/dbraw/zinc/57/17/03/527571703.db2.gz LZJACKJZOOXFPL-AWEZNQCLSA-N 0 0 425.414 4.560 50 0 IJAARN O=C(/C=C\c1ccc(SC(F)(F)F)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000096947849 527656205 /nfs/dbraw/zinc/65/62/05/527656205.db2.gz XUDAHTWJZKYCSP-CTEOGUNLSA-N 0 0 442.528 4.563 50 0 IJAARN FC(F)(F)[C@H]1CCCN(Cn2nc(N3CCCCC3)n(-c3ccccc3)c2=S)C1 ZINC000012544204 527678170 /nfs/dbraw/zinc/67/81/70/527678170.db2.gz NVNSYZAHEIKNQW-INIZCTEOSA-N 0 0 425.524 4.625 50 0 IJAARN FC(F)(F)c1ccc(N2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)nc1 ZINC000023936309 527682823 /nfs/dbraw/zinc/68/28/23/527682823.db2.gz XKXHROVEWGQHJS-UHFFFAOYSA-N 0 0 441.379 4.779 50 0 IJAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4cccc5ccccc54)c3)c12 ZINC000017100312 527684037 /nfs/dbraw/zinc/68/40/37/527684037.db2.gz OMDOMRMMPFQXHK-UHFFFAOYSA-N 0 0 436.519 4.804 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(c2ccccc2)CC1 ZINC000008340722 535132212 /nfs/dbraw/zinc/13/22/12/535132212.db2.gz ZKARBMIMQSHJIN-UHFFFAOYSA-N 0 0 425.536 4.642 50 0 IJAARN CCN1C(=O)C(=C2C=C(C)N(c3cccc(C(F)(F)F)c3)C(C)=C2)C(=O)N(CC)C1=S ZINC000003263548 535424975 /nfs/dbraw/zinc/42/49/75/535424975.db2.gz VBOWIAXHBQZWNF-UHFFFAOYSA-N 0 0 449.498 4.625 50 0 IJAARN CCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccc2n1 ZINC000009680745 535964054 /nfs/dbraw/zinc/96/40/54/535964054.db2.gz FRUTWWJOOLWNQZ-UHFFFAOYSA-N 0 0 437.547 4.898 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009322972 536483607 /nfs/dbraw/zinc/48/36/07/536483607.db2.gz FFDCIRADTBTWGB-UHFFFAOYSA-N 0 0 434.584 4.579 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000009730168 536658826 /nfs/dbraw/zinc/65/88/26/536658826.db2.gz UPJVIHGQECANOL-ILBGXUMGSA-N 0 0 432.495 4.635 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(C)=O)c3)C2=O)cc1OC ZINC000003271680 536665114 /nfs/dbraw/zinc/66/51/14/536665114.db2.gz DFDLAVRDGPFUES-PXLXIMEGSA-N 0 0 442.471 4.546 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)c(OC)c1 ZINC000014094380 536666618 /nfs/dbraw/zinc/66/66/18/536666618.db2.gz IQAXXPNCYRDREZ-XMMPIXPASA-N 0 0 426.476 4.661 50 0 IJAARN COc1ccc2c(C)c(CC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(=O)oc2c1C ZINC000009303336 536962879 /nfs/dbraw/zinc/96/28/79/536962879.db2.gz OXQYZLZXLVTWKW-UHFFFAOYSA-N 0 0 434.536 4.836 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N4CCCc5ccccc54)n3c2c1 ZINC000009221249 536963982 /nfs/dbraw/zinc/96/39/82/536963982.db2.gz ACSJIZFPSLICEZ-INIZCTEOSA-N 0 0 432.549 4.660 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000004734328 537063852 /nfs/dbraw/zinc/06/38/52/537063852.db2.gz ZMTMRFGYZPKFDA-UHFFFAOYSA-N 0 0 432.421 4.637 50 0 IJAARN Cc1ccc2nc(NC(=O)C3CCN(CC(=O)Nc4ccc(C)cc4C)CC3)sc2c1 ZINC000009071838 555507777 /nfs/dbraw/zinc/50/77/77/555507777.db2.gz SRNAJYVCYXEJPW-UHFFFAOYSA-N 0 0 436.581 4.511 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000000633447 555515747 /nfs/dbraw/zinc/51/57/47/555515747.db2.gz OENXEJYCEMDFKA-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)n2cnc(-c3ccco3)cc12 ZINC000000633127 555515766 /nfs/dbraw/zinc/51/57/66/555515766.db2.gz NHKRBKLZULNNTQ-UHFFFAOYSA-N 0 0 439.265 4.765 50 0 IJAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000000640141 555518055 /nfs/dbraw/zinc/51/80/55/555518055.db2.gz OCKHURVFIUHRRT-UHFFFAOYSA-N 0 0 425.710 4.859 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000645507 555520425 /nfs/dbraw/zinc/52/04/25/555520425.db2.gz SKKHUMVTNSRBRJ-SFHVURJKSA-N 0 0 430.295 4.521 50 0 IJAARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)n2nc(-c3ccccc3Cl)nc2N1 ZINC000000645591 555520435 /nfs/dbraw/zinc/52/04/35/555520435.db2.gz QRGGYQCYPIBRDM-IBGZPJMESA-N 0 0 448.939 4.983 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1C ZINC000000649926 555522498 /nfs/dbraw/zinc/52/24/98/555522498.db2.gz HSNUSKPZZDTWAS-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN CC(C)(C)c1cc(CNC(=O)c2cccc(COc3ccc(Br)cc3)c2)[nH]n1 ZINC000000653533 555524149 /nfs/dbraw/zinc/52/41/49/555524149.db2.gz USTDNYICCYSIOE-UHFFFAOYSA-N 0 0 442.357 4.979 50 0 IJAARN O=C(COc1ccccc1)Nc1cccc2c(NC(=O)COc3ccccc3)cccc12 ZINC000000663337 555527422 /nfs/dbraw/zinc/52/74/22/555527422.db2.gz BMORICPUJNCEEK-UHFFFAOYSA-N 0 0 426.472 4.875 50 0 IJAARN Cc1sc2nc(SCC(=O)NCc3cccs3)n(-c3ccccc3)c(=O)c2c1C ZINC000000667059 555528995 /nfs/dbraw/zinc/52/89/95/555528995.db2.gz KMDIFJOAODHZJN-UHFFFAOYSA-N 0 0 441.603 4.534 50 0 IJAARN O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(Br)cc1 ZINC000000667977 555529591 /nfs/dbraw/zinc/52/95/91/555529591.db2.gz NZLKRUCMZYMIBK-UHFFFAOYSA-N 0 0 429.339 4.640 50 0 IJAARN COc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)c(OC)c1 ZINC000000668216 555529610 /nfs/dbraw/zinc/52/96/10/555529610.db2.gz UYNUJNGEXKCGHC-UHFFFAOYSA-N 0 0 432.270 4.891 50 0 IJAARN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1I ZINC000000670454 555530807 /nfs/dbraw/zinc/53/08/07/555530807.db2.gz JOHQSIRMHBNCNO-UHFFFAOYSA-N 0 0 427.241 4.775 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cccnc1 ZINC000000670850 555531060 /nfs/dbraw/zinc/53/10/60/555531060.db2.gz NLNURZRJBOGUFG-UHFFFAOYSA-N 0 0 444.274 4.680 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000000674846 555533668 /nfs/dbraw/zinc/53/36/68/555533668.db2.gz OUULOMTZXUBWJE-WOJBJXKFSA-N 0 0 444.457 4.824 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)c(C)c1 ZINC000000675250 555534009 /nfs/dbraw/zinc/53/40/09/555534009.db2.gz HWINAOKDVGDUDF-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1cccc(OC)c1 ZINC000000676490 555534931 /nfs/dbraw/zinc/53/49/31/555534931.db2.gz QBIBQVROKNLQNN-UHFFFAOYSA-N 0 0 438.505 4.665 50 0 IJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000676820 555535180 /nfs/dbraw/zinc/53/51/80/555535180.db2.gz YIASIDWOFSVGSM-LJQANCHMSA-N 0 0 444.597 4.782 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C ZINC000000682102 555538018 /nfs/dbraw/zinc/53/80/18/555538018.db2.gz FJFXWMJGENYTAQ-UHFFFAOYSA-N 0 0 430.961 4.704 50 0 IJAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000686673 555540073 /nfs/dbraw/zinc/54/00/73/555540073.db2.gz MLHAKKRPOFLASO-UHFFFAOYSA-N 0 0 430.961 4.590 50 0 IJAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000686658 555540176 /nfs/dbraw/zinc/54/01/76/555540176.db2.gz RHZJWGKHJDDZED-UHFFFAOYSA-N 0 0 440.569 4.740 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1C ZINC000000687504 555540799 /nfs/dbraw/zinc/54/07/99/555540799.db2.gz WCGJECRTIWIKTK-UHFFFAOYSA-N 0 0 436.537 4.839 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000000688643 555541408 /nfs/dbraw/zinc/54/14/08/555541408.db2.gz AOWZLNPUYUYNRU-GOSISDBHSA-N 0 0 441.483 4.841 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC ZINC000000703897 555544034 /nfs/dbraw/zinc/54/40/34/555544034.db2.gz SYNUFGOOMQKWKR-HSZRJFAPSA-N 0 0 442.471 4.735 50 0 IJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H](OC(C)=O)c1ccccc1 ZINC000000707042 555545009 /nfs/dbraw/zinc/54/50/09/555545009.db2.gz ZSFHPFLODCQKLP-HXUWFJFHSA-N 0 0 441.480 4.974 50 0 IJAARN O=C1[C@@H]2CS[C@@H](c3ccc(Br)cc3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000000708708 555545832 /nfs/dbraw/zinc/54/58/32/555545832.db2.gz INELOOJMLLFKCG-HOCLYGCPSA-N 0 0 439.787 4.850 50 0 IJAARN CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 ZINC000000710353 555547048 /nfs/dbraw/zinc/54/70/48/555547048.db2.gz GKSPPEXECYJJCT-UHFFFAOYSA-N 0 0 442.591 4.825 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000000792744 555557373 /nfs/dbraw/zinc/55/73/73/555557373.db2.gz JJMLJYUGBXGOHK-UHFFFAOYSA-N 0 0 441.553 4.713 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000000815363 555561826 /nfs/dbraw/zinc/56/18/26/555561826.db2.gz SBMIHVDPGKMPPA-UHFFFAOYSA-N 0 0 435.434 4.853 50 0 IJAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCc2ccccc2C1 ZINC000000845367 555569332 /nfs/dbraw/zinc/56/93/32/555569332.db2.gz ZTLJTWNUGYFNOO-UHFFFAOYSA-N 0 0 428.439 4.675 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2cccnc2)cc1 ZINC000000873218 555575812 /nfs/dbraw/zinc/57/58/12/555575812.db2.gz XMUZEOBRMNUHFA-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)c1 ZINC000000884093 555578343 /nfs/dbraw/zinc/57/83/43/555578343.db2.gz WCQKBTHHADHALD-RBUKOAKNSA-N 0 0 448.420 4.621 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1Cl ZINC000000887467 555579321 /nfs/dbraw/zinc/57/93/21/555579321.db2.gz PSGRJPCWXQROAC-UHFFFAOYSA-N 0 0 439.924 4.730 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC3CCCCC3)n2)cc1 ZINC000000890656 555579760 /nfs/dbraw/zinc/57/97/60/555579760.db2.gz VJOQJYXUQRAKHW-UHFFFAOYSA-N 0 0 425.476 4.712 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000903493 555581634 /nfs/dbraw/zinc/58/16/34/555581634.db2.gz IVSNVDVOEYVAMX-UHFFFAOYSA-N 0 0 436.459 4.627 50 0 IJAARN COc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000000939627 555586820 /nfs/dbraw/zinc/58/68/20/555586820.db2.gz WNMBUQJSKBDZAJ-UHFFFAOYSA-N 0 0 431.197 4.803 50 0 IJAARN CCn1c(SCC(=O)NCc2ccccc2)nc2scc(-c3ccccc3)c2c1=O ZINC000000947737 555588517 /nfs/dbraw/zinc/58/85/17/555588517.db2.gz GZLDXQRWOOKIRI-UHFFFAOYSA-N 0 0 435.574 4.553 50 0 IJAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl ZINC000000954939 555590031 /nfs/dbraw/zinc/59/00/31/555590031.db2.gz JHYXDWHAKRUNOH-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN Cc1ccc(/N=c2\oc3c(Br)cc(Br)cc3cc2C(N)=O)cc1 ZINC000000984948 555594455 /nfs/dbraw/zinc/59/44/55/555594455.db2.gz PLYVZVXZIMPQBS-FXBPSFAMSA-N 0 0 436.103 4.598 50 0 IJAARN COc1cc(C)c(C(=S=O)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1C(C)C ZINC000001000232 555600169 /nfs/dbraw/zinc/60/01/69/555600169.db2.gz VUDKUOCXEJEMEU-UHFFFAOYSA-N 0 0 428.575 4.754 50 0 IJAARN OC(c1ccccc1)=C1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000001006713 555601057 /nfs/dbraw/zinc/60/10/57/555601057.db2.gz LCRRTWPSNJMRPX-HSZRJFAPSA-N 0 0 426.501 4.844 50 0 IJAARN COc1cc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)ccc1OCC(C)C ZINC000001020357 555603666 /nfs/dbraw/zinc/60/36/66/555603666.db2.gz STXNVRBOALAAGM-UHFFFAOYSA-N 0 0 432.520 4.589 50 0 IJAARN Cn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)c1cccnc1 ZINC000001029665 555605435 /nfs/dbraw/zinc/60/54/35/555605435.db2.gz BRDWUAMKSQKZRN-UHFFFAOYSA-N 0 0 425.208 4.516 50 0 IJAARN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000001035119 555607764 /nfs/dbraw/zinc/60/77/64/555607764.db2.gz XFFSINYPLUHGAG-UHFFFAOYSA-N 0 0 431.920 4.610 50 0 IJAARN CCOC(=O)c1sc(SCc2cccc(Cl)c2)c(S(=O)(=O)C(C)C)c1N ZINC000001037771 555608713 /nfs/dbraw/zinc/60/87/13/555608713.db2.gz FBSDIVJXXUTXEE-UHFFFAOYSA-N 0 0 434.004 4.635 50 0 IJAARN COc1ccc([C@@H]2c3ccsc3CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000001039060 555609378 /nfs/dbraw/zinc/60/93/78/555609378.db2.gz NIEZRLKORNYTLB-HXUWFJFHSA-N 0 0 437.945 4.886 50 0 IJAARN CCOc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1OC(=O)C1CCCCC1 ZINC000001062274 555616629 /nfs/dbraw/zinc/61/66/29/555616629.db2.gz RWSUFXMUYKCBDH-QGZVFWFLSA-N 0 0 437.492 4.774 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1F ZINC000001064087 555617288 /nfs/dbraw/zinc/61/72/88/555617288.db2.gz DYFDZRCFYBTNKS-UHFFFAOYSA-N 0 0 449.349 4.906 50 0 IJAARN CCc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000001064694 555617556 /nfs/dbraw/zinc/61/75/56/555617556.db2.gz HFGCDBMSQVSUBM-UHFFFAOYSA-N 0 0 444.388 4.800 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000001075834 555623941 /nfs/dbraw/zinc/62/39/41/555623941.db2.gz ZLZXUMCYATTZBC-QFIPXVFZSA-N 0 0 430.342 4.592 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@H]2c2ccccc2OC)cc1 ZINC000001077466 555625000 /nfs/dbraw/zinc/62/50/00/555625000.db2.gz POQGTRAJMRVUPN-DNQXCXABSA-N 0 0 431.488 4.716 50 0 IJAARN Cc1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001078485 555625265 /nfs/dbraw/zinc/62/52/65/555625265.db2.gz QGGGEHRNWCLUSN-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000001093812 555627572 /nfs/dbraw/zinc/62/75/72/555627572.db2.gz UNTYXUKPMLJEIF-UHFFFAOYSA-N 0 0 438.534 4.811 50 0 IJAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000001095258 555627825 /nfs/dbraw/zinc/62/78/25/555627825.db2.gz NCDOTURQIPDXEB-UHFFFAOYSA-N 0 0 434.492 4.813 50 0 IJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1cccs1 ZINC000001099010 555628478 /nfs/dbraw/zinc/62/84/78/555628478.db2.gz GSKOWXGZXXATLH-UHFFFAOYSA-N 0 0 427.942 4.571 50 0 IJAARN O=C(Nc1cccnc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001109456 555630811 /nfs/dbraw/zinc/63/08/11/555630811.db2.gz VGWLNUBYZKWFBS-UHFFFAOYSA-N 0 0 443.528 4.729 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000001110728 555631371 /nfs/dbraw/zinc/63/13/71/555631371.db2.gz SQLNATZNFGZEAV-UHFFFAOYSA-N 0 0 438.549 4.896 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)CCc2ccccc2)c(C(=O)OC(C)C)c1C ZINC000001112922 555632625 /nfs/dbraw/zinc/63/26/25/555632625.db2.gz VZKNDFKUCGTDEP-UHFFFAOYSA-N 0 0 430.570 4.675 50 0 IJAARN CCOC(=O)c1ccc(COC(=O)c2ccc(C)c(NC(=O)CC)c2)c(Br)c1 ZINC000001115774 555634277 /nfs/dbraw/zinc/63/42/77/555634277.db2.gz DUUOUCKYGFVYIT-UHFFFAOYSA-N 0 0 448.313 4.640 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=S)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc12 ZINC000001117875 555635551 /nfs/dbraw/zinc/63/55/51/555635551.db2.gz TWTVHBBOUBDIBD-UHFFFAOYSA-N 0 0 448.375 4.927 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1NC(=O)c1ccco1 ZINC000001124874 555640179 /nfs/dbraw/zinc/64/01/79/555640179.db2.gz MAJHCHIAUNEMDO-UHFFFAOYSA-N 0 0 445.431 4.638 50 0 IJAARN O=C(CSc1nnc([C@H](O)c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000001124789 555640181 /nfs/dbraw/zinc/64/01/81/555640181.db2.gz GECMDDJLWWWLSG-OAQYLSRUSA-N 0 0 435.936 4.977 50 0 IJAARN Cc1ccccc1Cn1ccc(NC(=O)[C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)n1 ZINC000001126255 555641062 /nfs/dbraw/zinc/64/10/62/555641062.db2.gz MQBRGSGWBCNKRG-IBGZPJMESA-N 0 0 429.307 4.678 50 0 IJAARN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Cl)c1 ZINC000001127432 555642032 /nfs/dbraw/zinc/64/20/32/555642032.db2.gz CEGRDJCGRHWFHA-UHFFFAOYSA-N 0 0 442.331 4.854 50 0 IJAARN COc1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c(OC)cc1Cl ZINC000001138583 555648360 /nfs/dbraw/zinc/64/83/60/555648360.db2.gz PRPHQJIHHGIHDT-SNDHGLFQSA-N 0 0 445.902 4.754 50 0 IJAARN CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccccc1 ZINC000001142143 555650616 /nfs/dbraw/zinc/65/06/16/555650616.db2.gz QNTSATFTWSSLNK-DEOSSOPVSA-N 0 0 446.528 4.967 50 0 aggregator IJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Br)c1 ZINC000001145605 555652982 /nfs/dbraw/zinc/65/29/82/555652982.db2.gz GCZYXSRDQCQWOG-UHFFFAOYSA-N 0 0 438.778 4.830 50 0 IJAARN O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000001149746 555655504 /nfs/dbraw/zinc/65/55/04/555655504.db2.gz PNKMCWAMFHNWCD-UHFFFAOYSA-N 0 0 432.501 4.658 50 0 IJAARN COc1cccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000001154869 555658420 /nfs/dbraw/zinc/65/84/20/555658420.db2.gz JSTOQRDBJZXMAL-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000001155259 555658691 /nfs/dbraw/zinc/65/86/91/555658691.db2.gz UMVPUIGYWJYKSU-INIZCTEOSA-N 0 0 438.336 4.831 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001157307 555659556 /nfs/dbraw/zinc/65/95/56/555659556.db2.gz JVKAVRNLNWORFJ-HNNXBMFYSA-N 0 0 446.475 4.550 50 0 IJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc2ccccc2c1 ZINC000001158699 555660519 /nfs/dbraw/zinc/66/05/19/555660519.db2.gz AOSNYZGCWXOKHI-UHFFFAOYSA-N 0 0 435.435 4.680 50 0 IJAARN O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1nc(-c3ccccc3)cs1)C2=O ZINC000001159471 555660785 /nfs/dbraw/zinc/66/07/85/555660785.db2.gz WBHKBHYURWCYPP-UHFFFAOYSA-N 0 0 440.480 4.968 50 0 IJAARN CCc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001163806 555663284 /nfs/dbraw/zinc/66/32/84/555663284.db2.gz MDEQBDHUFZNZMQ-UHFFFAOYSA-N 0 0 442.968 4.732 50 0 IJAARN CCOc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000001169036 555665556 /nfs/dbraw/zinc/66/55/56/555665556.db2.gz FQEYFBVWGWMDBB-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN Cc1cc(-c2ccccc2)n(-c2ccc3nnc(-c4ccc(Br)cc4)n3n2)n1 ZINC000001170345 555666202 /nfs/dbraw/zinc/66/62/02/555666202.db2.gz KWTRKZHXWMFNER-UHFFFAOYSA-N 0 0 431.297 4.715 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1Br ZINC000001171357 555666761 /nfs/dbraw/zinc/66/67/61/555666761.db2.gz LZSASPFQBLOREX-UHFFFAOYSA-N 0 0 447.276 4.993 50 0 IJAARN Cc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001172376 555667549 /nfs/dbraw/zinc/66/75/49/555667549.db2.gz BZDIUBRVOZEVEN-UHFFFAOYSA-N 0 0 436.577 4.630 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000001174685 555668978 /nfs/dbraw/zinc/66/89/78/555668978.db2.gz UGPGNZDGCLBOAX-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN CCCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccccc3Br)CC2)cc1C ZINC000001174717 555669006 /nfs/dbraw/zinc/66/90/06/555669006.db2.gz GENVJNRPNJODOB-UHFFFAOYSA-N 0 0 447.348 4.842 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1oc3ccccc3c1C)CCCC2 ZINC000001178307 555670552 /nfs/dbraw/zinc/67/05/52/555670552.db2.gz OLWQZCQUJNILFM-UHFFFAOYSA-N 0 0 442.562 4.985 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)cc1Cl ZINC000001178152 555670616 /nfs/dbraw/zinc/67/06/16/555670616.db2.gz ZTEJGVYBMZATMC-HNNXBMFYSA-N 0 0 447.874 4.877 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC000001181358 555671919 /nfs/dbraw/zinc/67/19/19/555671919.db2.gz LLDKADRDMRSSQM-UHFFFAOYSA-N 0 0 438.778 4.830 50 0 IJAARN COc1ccc(C(=O)N[C@@H](Oc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001187841 555674920 /nfs/dbraw/zinc/67/49/20/555674920.db2.gz UGMUWONBGCOCGN-INIZCTEOSA-N 0 0 439.122 4.862 50 0 IJAARN CSc1nnc2c(n1)O[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)Nc1ccccc1-2 ZINC000001203484 555679394 /nfs/dbraw/zinc/67/93/94/555679394.db2.gz VOWMBOOOLDJRLT-IBGZPJMESA-N 0 0 436.928 4.911 50 0 IJAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1I)c1ccccc1 ZINC000001204037 555679692 /nfs/dbraw/zinc/67/96/92/555679692.db2.gz RKTHNOTYSFVYCR-UHFFFAOYSA-N 0 0 442.256 4.796 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)O)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000001428396 555696292 /nfs/dbraw/zinc/69/62/92/555696292.db2.gz CMTCEBKMJZYUQD-SFHVURJKSA-N 0 0 432.520 4.565 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccc(F)cc1 ZINC000001446141 555699039 /nfs/dbraw/zinc/69/90/39/555699039.db2.gz BYRFKRUGSJPDKV-FCHUYYIVSA-N 0 0 425.843 4.739 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)CC(=O)N1 ZINC000001467881 555701134 /nfs/dbraw/zinc/70/11/34/555701134.db2.gz MBCYNCCRLXBQAH-DEOSSOPVSA-N 0 0 441.527 4.929 50 0 IJAARN COc1cc(OC)c(NC(=O)OCCOc2ccc(Br)cc2)cc1Cl ZINC000001753809 555712344 /nfs/dbraw/zinc/71/23/44/555712344.db2.gz LFSNKYNGPLYQBV-UHFFFAOYSA-N 0 0 430.682 4.747 50 0 IJAARN C[C@@H]1Oc2ccccc2C=C1/C=C(\NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1 ZINC000001802876 555717259 /nfs/dbraw/zinc/71/72/59/555717259.db2.gz KYBWVTHLELUYOY-VOMLJKFNSA-N 0 0 448.906 4.728 50 0 IJAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)cc2)cc1 ZINC000002029742 555727872 /nfs/dbraw/zinc/72/78/72/555727872.db2.gz MSWIGUDJUJUSBY-UHFFFAOYSA-N 0 0 430.479 4.857 50 0 IJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1OCC ZINC000002119854 555745285 /nfs/dbraw/zinc/74/52/85/555745285.db2.gz COUFNKDFHAVJGZ-DEDYPNTBSA-N 0 0 428.510 4.599 50 0 IJAARN CCCOC(=O)c1cc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)ccc1Cl ZINC000002124114 555745660 /nfs/dbraw/zinc/74/56/60/555745660.db2.gz GOOJXEQXCOWXTJ-UHFFFAOYSA-N 0 0 447.944 4.806 50 0 IJAARN Fc1cccc(-c2nnc([C@@H]3CC34CCN(Cc3nc(Cc5ccccc5)no3)CC4)o2)c1 ZINC000071890579 555747278 /nfs/dbraw/zinc/74/72/78/555747278.db2.gz IIADKKKNOPSJED-FQEVSTJZSA-N 0 0 445.498 4.619 50 0 IJAARN COc1cccc(C(NC(=O)c2ccc(Cl)cc2)NC(=O)c2ccc(Cl)cc2)c1 ZINC000002172467 555752064 /nfs/dbraw/zinc/75/20/64/555752064.db2.gz VHKIXKOKHCGXGR-UHFFFAOYSA-N 0 0 429.303 4.861 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)NCCO)C1 ZINC000002182377 555753921 /nfs/dbraw/zinc/75/39/21/555753921.db2.gz QOSZCIFUOCSPTQ-CQSZACIVSA-N 0 0 434.989 4.527 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)NCCO)C1 ZINC000002182381 555753940 /nfs/dbraw/zinc/75/39/40/555753940.db2.gz CQNHIKMEPWQTOW-CYBMUJFWSA-N 0 0 434.989 4.527 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 ZINC000002203731 555757513 /nfs/dbraw/zinc/75/75/13/555757513.db2.gz RDNXRSVFCWOBBT-UHFFFAOYSA-N 0 0 430.537 4.579 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000002218881 555758895 /nfs/dbraw/zinc/75/88/95/555758895.db2.gz BSDJKEHRZHZLOD-UHFFFAOYSA-N 0 0 437.297 4.752 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)c1 ZINC000002218337 555758981 /nfs/dbraw/zinc/75/89/81/555758981.db2.gz FTLABKNRYKOYBG-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000002260693 555763514 /nfs/dbraw/zinc/76/35/14/555763514.db2.gz KBUAITFLMKBKHN-IBGZPJMESA-N 0 0 428.838 4.620 50 0 IJAARN COc1cccc(-n2c3nnc(S)n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000002296996 555766622 /nfs/dbraw/zinc/76/66/22/555766622.db2.gz HNRDJSPVGLZYHK-UHFFFAOYSA-N 0 0 444.560 4.603 50 0 IJAARN O=C(CSc1nc2ccccc2s1)Nc1cc2c(cc1Br)OCCO2 ZINC000002319884 555768224 /nfs/dbraw/zinc/76/82/24/555768224.db2.gz ZFNNXNJANOISCO-UHFFFAOYSA-N 0 0 437.340 4.561 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2C)c1 ZINC000002338389 555769929 /nfs/dbraw/zinc/76/99/29/555769929.db2.gz ZKKQUBYGBBHINL-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2cnccn2)cc1 ZINC000002343119 555770538 /nfs/dbraw/zinc/77/05/38/555770538.db2.gz ZLHLIGLKJZBIDW-UHFFFAOYSA-N 0 0 444.564 4.689 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1F ZINC000002365124 555772330 /nfs/dbraw/zinc/77/23/30/555772330.db2.gz FSJPKNNNKCMUEQ-UHFFFAOYSA-N 0 0 435.322 4.597 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccs2)cc1 ZINC000002444449 555779993 /nfs/dbraw/zinc/77/99/93/555779993.db2.gz MIJRPGKLAUHGBU-UHFFFAOYSA-N 0 0 440.525 4.874 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1OC ZINC000002447612 555780632 /nfs/dbraw/zinc/78/06/32/555780632.db2.gz ARSZGJNYEVWVAX-UHFFFAOYSA-N 0 0 446.960 4.675 50 0 IJAARN C[C@@H](NC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1 ZINC000034669042 555792824 /nfs/dbraw/zinc/79/28/24/555792824.db2.gz XGQOTLDUPLLXTF-QGZVFWFLSA-N 0 0 441.000 4.610 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1cccnc1 ZINC000034672370 555793388 /nfs/dbraw/zinc/79/33/88/555793388.db2.gz XAGFNSHIAFCZKJ-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cn3c4ncccc4nc3C(F)(F)F)cc2)cc1F ZINC000046159021 555793636 /nfs/dbraw/zinc/79/36/36/555793636.db2.gz PURAWWUKJBBPFD-UHFFFAOYSA-N 0 0 444.388 4.898 50 0 IJAARN Cc1ccc(Br)cc1N1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000034696755 555810805 /nfs/dbraw/zinc/81/08/05/555810805.db2.gz HAFLIJGEZMOSPJ-OAHLLOKOSA-N 0 0 441.247 4.768 50 0 IJAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)nc2n1 ZINC000002768139 555814292 /nfs/dbraw/zinc/81/42/92/555814292.db2.gz APNBTVCOTAAFDU-UHFFFAOYSA-N 0 0 441.825 4.507 50 0 IJAARN O=C(NCc1cccc(F)c1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034709519 555823742 /nfs/dbraw/zinc/82/37/42/555823742.db2.gz UXPQOQFYTBYTQJ-VXKWHMMOSA-N 0 0 434.486 4.527 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034711924 555825139 /nfs/dbraw/zinc/82/51/39/555825139.db2.gz SLAWQWSJVRNCHD-GOSISDBHSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(NCc1cccnc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711895 555825197 /nfs/dbraw/zinc/82/51/97/555825197.db2.gz UPWBFYXRFZAOHG-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(SC)c3)n2C)cc1 ZINC000002840916 555835590 /nfs/dbraw/zinc/83/55/90/555835590.db2.gz AVUCGTXMSLAPIH-OAHLLOKOSA-N 0 0 442.610 4.970 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3OCCc4ccccc43)cc2)cc1 ZINC000002841501 555835802 /nfs/dbraw/zinc/83/58/02/555835802.db2.gz CXZBFKAETWCWNG-RUZDIDTESA-N 0 0 444.531 4.772 50 0 IJAARN CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002848164 555838410 /nfs/dbraw/zinc/83/84/10/555838410.db2.gz IAGRDVSVVDOGKL-UHFFFAOYSA-N 0 0 429.369 4.595 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000002853032 555840231 /nfs/dbraw/zinc/84/02/31/555840231.db2.gz FNGRJYXWBAATCC-UHFFFAOYSA-N 0 0 446.931 4.529 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 ZINC000002854582 555841058 /nfs/dbraw/zinc/84/10/58/555841058.db2.gz PZQQCUJXVIVXQS-UHFFFAOYSA-N 0 0 443.301 4.515 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000002859433 555843498 /nfs/dbraw/zinc/84/34/98/555843498.db2.gz OTXSTGYLCMWUBF-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000002861531 555844754 /nfs/dbraw/zinc/84/47/54/555844754.db2.gz AGMUJSFEIQZUGB-UHFFFAOYSA-N 0 0 441.380 4.591 50 0 IJAARN CCOC(=O)c1ccc(COc2nc3ccccc3nc2-c2ccccc2NC(C)=O)o1 ZINC000002867269 555847840 /nfs/dbraw/zinc/84/78/40/555847840.db2.gz JCLWBWNMPHVTGE-UHFFFAOYSA-N 0 0 431.448 4.604 50 0 IJAARN COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC ZINC000002880827 555854924 /nfs/dbraw/zinc/85/49/24/555854924.db2.gz NZNDHONHDGUXHY-UHFFFAOYSA-N 0 0 429.476 4.910 50 0 IJAARN CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(OCC)c1OCC ZINC000002884925 555857560 /nfs/dbraw/zinc/85/75/60/555857560.db2.gz OVKXHXTZCIPUHR-UHFFFAOYSA-N 0 0 444.484 4.626 50 0 IJAARN CCCOc1ccccc1[C@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O ZINC000002977804 555870338 /nfs/dbraw/zinc/87/03/38/555870338.db2.gz OYWVYNMFISEQTQ-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCOc1ccccc1[C@H]1Nc2ccc(Br)cc2-c2nnc(SC)nc2O1 ZINC000002978187 555870539 /nfs/dbraw/zinc/87/05/39/555870539.db2.gz BJBRWQXOFYGZEV-KRWDZBQOSA-N 0 0 445.342 4.925 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1Br ZINC000002982142 555872467 /nfs/dbraw/zinc/87/24/67/555872467.db2.gz CQVNWWZFGZIOBH-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 ZINC000002984071 555873392 /nfs/dbraw/zinc/87/33/92/555873392.db2.gz CXOIRHMCQNJOSI-UHFFFAOYSA-N 0 0 445.548 4.645 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000002999203 555877321 /nfs/dbraw/zinc/87/73/21/555877321.db2.gz XCPBWFKCWVGHFK-UHFFFAOYSA-N 0 0 428.813 4.989 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000003062936 555884134 /nfs/dbraw/zinc/88/41/34/555884134.db2.gz IVKLTXNLNLZXFR-NFJKTXFASA-N 0 0 444.328 4.898 50 0 IJAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)Cc4ccc(F)cc4)c3)C2=O)c1 ZINC000034735347 555885512 /nfs/dbraw/zinc/88/55/12/555885512.db2.gz ORDHOZCVTCRKOG-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN CCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000003147865 555892193 /nfs/dbraw/zinc/89/21/93/555892193.db2.gz RLCANRURACTJRE-NSHDSACASA-N 0 0 437.607 4.892 50 0 IJAARN CCCCCOc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)cc1 ZINC000003170733 555893925 /nfs/dbraw/zinc/89/39/25/555893925.db2.gz NYWFUBSCPMESLB-UHFFFAOYSA-N 0 0 426.542 4.780 50 0 IJAARN COc1ccccc1CCNC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000034785198 555895977 /nfs/dbraw/zinc/89/59/77/555895977.db2.gz MTLPPNAPKZXTGD-UHFFFAOYSA-N 0 0 445.498 4.633 50 0 IJAARN O=C(Nc1ccccc1)N1CCc2nc(N3CCCC3)nc(Oc3ccccc3F)c2C1 ZINC000034757433 555902342 /nfs/dbraw/zinc/90/23/42/555902342.db2.gz REGBIGQJIGKORV-UHFFFAOYSA-N 0 0 433.487 4.598 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)Cc1cccs1)CC2 ZINC000034760017 555903787 /nfs/dbraw/zinc/90/37/87/555903787.db2.gz OLTFWIAPFMKGKN-UHFFFAOYSA-N 0 0 448.592 4.757 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3F)CC1)=Nc1ccccc1O2 ZINC000034813602 555910335 /nfs/dbraw/zinc/91/03/35/555910335.db2.gz UPKAZLNZRGCSRF-UHFFFAOYSA-N 0 0 433.458 4.915 50 0 IJAARN COc1cccc(CC(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)CC2)c1 ZINC000034813606 555910403 /nfs/dbraw/zinc/91/04/03/555910403.db2.gz GQKBIHKWBOTPEI-UHFFFAOYSA-N 0 0 441.531 4.575 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000034904829 555919305 /nfs/dbraw/zinc/91/93/05/555919305.db2.gz MYWOHCGLVSJWEF-INIZCTEOSA-N 0 0 438.494 4.616 50 0 IJAARN CCCCCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000034905289 555919523 /nfs/dbraw/zinc/91/95/23/555919523.db2.gz KAAQVIUPELZXJC-UXHICEINSA-N 0 0 443.613 4.768 50 0 IJAARN O=C(NCc1ccncc1)[C@@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906556 555920622 /nfs/dbraw/zinc/92/06/22/555920622.db2.gz GSURUMMRLXPIHU-JOCHJYFZSA-N 0 0 431.584 4.544 50 0 IJAARN Cc1ccc(C(=O)N(Cc2cccc(OS(=O)(=O)c3ccc(F)cc3)c2)C2CC2)cc1 ZINC000034921271 555931450 /nfs/dbraw/zinc/93/14/50/555931450.db2.gz SAHBRWGQHWTDBV-UHFFFAOYSA-N 0 0 439.508 4.707 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000034921281 555931529 /nfs/dbraw/zinc/93/15/29/555931529.db2.gz DOTOYICHHAKHFK-UHFFFAOYSA-N 0 0 439.508 4.707 50 0 IJAARN Cc1cccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)c(C)c4)nn3c2C)c1 ZINC000003631691 555942078 /nfs/dbraw/zinc/94/20/78/555942078.db2.gz ITFXCWPWVAOJPE-UHFFFAOYSA-N 0 0 445.592 4.988 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1c(OC)cc(OC)cc1OC)Nc1ccccc1-2 ZINC000003655220 555944260 /nfs/dbraw/zinc/94/42/60/555944260.db2.gz BCUJTZCTPRXELA-HXUWFJFHSA-N 0 0 440.525 4.570 50 0 IJAARN CCCCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000004003919 555952465 /nfs/dbraw/zinc/95/24/65/555952465.db2.gz MQGRWPHCKCMKFT-RTFZILSDSA-N 0 0 444.553 4.558 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000004173401 555972630 /nfs/dbraw/zinc/97/26/30/555972630.db2.gz FABGEGAGWQSJKM-COLVAYQJSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(NCc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000004551986 556000880 /nfs/dbraw/zinc/00/08/80/556000880.db2.gz HSUCBHRRAMLMBH-RCCKNPSSSA-N 0 0 435.321 4.536 50 0 IJAARN Clc1ccccc1[C@H]1OCCOCCOCCOCCO[C@H]1c1ccccc1Cl ZINC000004577026 556002340 /nfs/dbraw/zinc/00/23/40/556002340.db2.gz ZWBDHJPYSSIFKP-SZPZYZBQSA-N 0 0 441.351 4.872 50 0 IJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000006296156 556084115 /nfs/dbraw/zinc/08/41/15/556084115.db2.gz YCNQMDNAXWFROW-IBGZPJMESA-N 0 0 438.549 4.819 50 0 IJAARN CCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000006722330 556102334 /nfs/dbraw/zinc/10/23/34/556102334.db2.gz RSQNUAWMEATEDP-UHFFFAOYSA-N 0 0 425.548 4.959 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1Br ZINC000006878360 556107788 /nfs/dbraw/zinc/10/77/88/556107788.db2.gz KYARKZMKUBRZMC-UHFFFAOYSA-N 0 0 435.322 4.597 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002674931 556118438 /nfs/dbraw/zinc/11/84/38/556118438.db2.gz UJFNQXNZDFOEIL-HNNXBMFYSA-N 0 0 441.163 4.548 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1ccc(Cl)cc1 ZINC000002691106 556122087 /nfs/dbraw/zinc/12/20/87/556122087.db2.gz JKFWZROVZXWQQW-UHFFFAOYSA-N 0 0 439.920 4.545 50 0 IJAARN COc1ccc(OC)c([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000002707415 556124164 /nfs/dbraw/zinc/12/41/64/556124164.db2.gz BUSVAYFGAINJGG-PKTZIBPZSA-N 0 0 444.516 4.917 50 0 IJAARN Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000002722257 556127935 /nfs/dbraw/zinc/12/79/35/556127935.db2.gz INLLWCDAGNELMU-UHFFFAOYSA-N 0 0 436.508 4.550 50 0 IJAARN Cc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)cc1 ZINC000002722232 556127954 /nfs/dbraw/zinc/12/79/54/556127954.db2.gz NURBQZZZBRBHSQ-UHFFFAOYSA-N 0 0 436.508 4.550 50 0 IJAARN Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)c(C)c1 ZINC000002716390 556130797 /nfs/dbraw/zinc/13/07/97/556130797.db2.gz CPVDTCSJBVOEJO-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(CC)cc1 ZINC000002719013 556131542 /nfs/dbraw/zinc/13/15/42/556131542.db2.gz IOGWFLUQTHDZIV-JOCHJYFZSA-N 0 0 442.625 4.919 50 0 IJAARN O=C(c1ccccc1Br)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002724741 556133269 /nfs/dbraw/zinc/13/32/69/556133269.db2.gz SRTJACMWGVMESL-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724495 556133289 /nfs/dbraw/zinc/13/32/89/556133289.db2.gz QBDQRZGAMKCHEZ-NPMXOYFQSA-N 0 0 438.886 4.817 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1CCn1cc(Cl)cn1 ZINC000002733618 556135096 /nfs/dbraw/zinc/13/50/96/556135096.db2.gz JKDZTXGBIDWGSJ-UHFFFAOYSA-N 0 0 431.348 4.892 50 0 IJAARN Cc1nc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc32)sc1C(=O)N(C)C ZINC000002747266 556136647 /nfs/dbraw/zinc/13/66/47/556136647.db2.gz GNSQSYKACUQNOJ-UHFFFAOYSA-N 0 0 430.533 4.929 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000002749992 556136894 /nfs/dbraw/zinc/13/68/94/556136894.db2.gz LZTVUZFLHRSKSY-UHFFFAOYSA-N 0 0 425.529 4.666 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002779257 556141318 /nfs/dbraw/zinc/14/13/18/556141318.db2.gz ZOSGFDVULNKBGD-INIZCTEOSA-N 0 0 426.398 4.816 50 0 IJAARN Cn1ncc(Br)c1-c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002798123 556141922 /nfs/dbraw/zinc/14/19/22/556141922.db2.gz HYSNMRHLGUDDFC-SNVBAGLBSA-N 0 0 445.390 4.653 50 0 IJAARN Cc1nn(Cc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c(C)c1Br ZINC000002806265 556143700 /nfs/dbraw/zinc/14/37/00/556143700.db2.gz GIIXDNZQQZKJKD-UHFFFAOYSA-N 0 0 433.313 4.569 50 0 IJAARN C[C@@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002796713 556145821 /nfs/dbraw/zinc/14/58/21/556145821.db2.gz QQSRPWREMMDYMX-JTQLQIEISA-N 0 0 432.475 4.920 50 0 IJAARN Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000008400776 556166245 /nfs/dbraw/zinc/16/62/45/556166245.db2.gz UKXXVXURDCEXBG-DEDYPNTBSA-N 0 0 425.410 4.897 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Br)cc1 ZINC000008434840 556172767 /nfs/dbraw/zinc/17/27/67/556172767.db2.gz GVFZLMWJZPRSFX-MRXNPFEDSA-N 0 0 447.638 4.712 50 0 IJAARN CCCCCCNC(=O)CSC1=N/C(=C\c2ccccc2F)C(=O)N1c1ccccc1 ZINC000008438516 556174576 /nfs/dbraw/zinc/17/45/76/556174576.db2.gz YOMXDQACDPTBRF-PGMHBOJBSA-N 0 0 439.556 4.999 50 0 IJAARN O=C(CN1CCCCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000008441397 556176838 /nfs/dbraw/zinc/17/68/38/556176838.db2.gz ZLYPXKYAVPZGFR-UHFFFAOYSA-N 0 0 435.749 4.758 50 0 IJAARN CCC[C@@H](C(=O)n1nc(C)cc1C)[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000008442238 556177135 /nfs/dbraw/zinc/17/71/35/556177135.db2.gz XVDOZMYITBYVON-DHIUTWEWSA-N 0 0 439.581 4.585 50 0 IJAARN CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2cccc(Br)c2)cc1 ZINC000008443226 556177980 /nfs/dbraw/zinc/17/79/80/556177980.db2.gz PEYJIFUNIMYWND-GOSISDBHSA-N 0 0 441.247 4.621 50 0 IJAARN FC(F)(F)c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccc(Cl)cc1Cl ZINC000008445468 556179638 /nfs/dbraw/zinc/17/96/38/556179638.db2.gz KFBBEQFTZUEDOT-UHFFFAOYSA-N 0 0 425.201 4.841 50 0 IJAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3Sc3ccccc3)C2=O)c1 ZINC000008451833 556182402 /nfs/dbraw/zinc/18/24/02/556182402.db2.gz WLLGBRLJRFMGFK-QNGOZBTKSA-N 0 0 443.528 4.678 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000008453376 556184453 /nfs/dbraw/zinc/18/44/53/556184453.db2.gz GKJWYULRCHAYTN-WDEREUQCSA-N 0 0 443.135 4.671 50 0 IJAARN COc1ccc(CCNc2cc(C)nc3c(-c4ccccc4OC)c(C)nn32)cc1OC ZINC000003063715 556187247 /nfs/dbraw/zinc/18/72/47/556187247.db2.gz OAFLENBUJMWPPU-UHFFFAOYSA-N 0 0 432.524 4.694 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCC(C)C)cc1 ZINC000008591589 556188974 /nfs/dbraw/zinc/18/89/74/556188974.db2.gz DLLLQJKWFGHUHU-JOCHJYFZSA-N 0 0 437.540 4.688 50 0 IJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccc(C)cc4)c3C)noc1-2 ZINC000008592942 556189638 /nfs/dbraw/zinc/18/96/38/556189638.db2.gz QJMYBFFSSVLLIJ-UHFFFAOYSA-N 0 0 442.519 4.871 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000008594182 556189690 /nfs/dbraw/zinc/18/96/90/556189690.db2.gz HVYXGUTYGSTPIC-SFHVURJKSA-N 0 0 433.504 4.712 50 0 IJAARN C[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000008691704 556200527 /nfs/dbraw/zinc/20/05/27/556200527.db2.gz DBIQHFCAMXCREQ-IBGZPJMESA-N 0 0 432.564 4.989 50 0 IJAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000008723180 556203681 /nfs/dbraw/zinc/20/36/81/556203681.db2.gz WKHITHFVPTYJNN-MRXNPFEDSA-N 0 0 440.721 4.678 50 0 IJAARN COCCCNC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000008791740 556215954 /nfs/dbraw/zinc/21/59/54/556215954.db2.gz BFELKLVOBMHNMA-UHFFFAOYSA-N 0 0 433.504 4.827 50 0 biogenic IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@H](O)c4ccccc4)c(=O)oc3c2C)c1C ZINC000008790731 556216140 /nfs/dbraw/zinc/21/61/40/556216140.db2.gz REEWWDSBENMUFY-QFIPXVFZSA-N 0 0 433.504 4.555 50 0 biogenic IJAARN COc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1NC(=O)c1cccs1 ZINC000009010434 556240972 /nfs/dbraw/zinc/24/09/72/556240972.db2.gz YHVHDXLHHNVKGL-UHFFFAOYSA-N 0 0 430.913 4.988 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)cc2)cnc2nc(SCc3ccc(Cl)cc3)nn21 ZINC000009130438 556248834 /nfs/dbraw/zinc/24/88/34/556248834.db2.gz HVJKMLTVDFNGML-UHFFFAOYSA-N 0 0 427.892 4.770 50 0 IJAARN Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3I)s2)cc1 ZINC000009168612 556249843 /nfs/dbraw/zinc/24/98/43/556249843.db2.gz RBPAPYGYPGUENZ-UHFFFAOYSA-N 0 0 436.278 4.762 50 0 IJAARN CC(C)(C)C(=O)Nc1nnc(COc2ccc(Br)cc2Br)s1 ZINC000009168303 556249921 /nfs/dbraw/zinc/24/99/21/556249921.db2.gz YHIQXFSMIRZXIF-UHFFFAOYSA-N 0 0 449.168 4.627 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 ZINC000009191969 556254033 /nfs/dbraw/zinc/25/40/33/556254033.db2.gz PKXAFAMRMDCWFJ-DEOSSOPVSA-N 0 0 444.487 4.621 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000009196927 556254676 /nfs/dbraw/zinc/25/46/76/556254676.db2.gz QIIMZKITTAGCSD-UHFFFAOYSA-N 0 0 429.520 4.772 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225735 556259799 /nfs/dbraw/zinc/25/97/99/556259799.db2.gz LKELOVXZPJOTNX-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN CCc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000009228328 556261111 /nfs/dbraw/zinc/26/11/11/556261111.db2.gz CAWBBNAUUJXGQP-UHFFFAOYSA-N 0 0 441.531 4.823 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3c(C)cccc3C)CC2=O)cc1 ZINC000009234563 556263138 /nfs/dbraw/zinc/26/31/38/556263138.db2.gz QLTCPSHRTNKOLN-FQEVSTJZSA-N 0 0 441.531 4.856 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239295 556265729 /nfs/dbraw/zinc/26/57/29/556265729.db2.gz ZKFRGWGNDACESA-MSOLQXFVSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009239591 556266121 /nfs/dbraw/zinc/26/61/21/556266121.db2.gz DTMMJUMCBYNLAO-YADHBBJMSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239632 556266432 /nfs/dbraw/zinc/26/64/32/556266432.db2.gz DOYDBBGNGXANEV-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc(Cl)c1OCC ZINC000009259889 556268068 /nfs/dbraw/zinc/26/80/68/556268068.db2.gz CXWGIXGWJFSJMR-XNTDXEJSSA-N 0 0 441.933 4.515 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C)c(Cl)c4)n3C)oc21 ZINC000009260628 556268302 /nfs/dbraw/zinc/26/83/02/556268302.db2.gz PTSMPDWTZVYEIW-UHFFFAOYSA-N 0 0 442.928 4.930 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000009260913 556268702 /nfs/dbraw/zinc/26/87/02/556268702.db2.gz ASJZNKZNABXZGR-NQIIRXRSSA-N 0 0 436.581 4.633 50 0 IJAARN COc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1OC ZINC000009289851 556273755 /nfs/dbraw/zinc/27/37/55/556273755.db2.gz IDJASMSTJUYLPX-UHFFFAOYSA-N 0 0 428.517 4.987 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@H](O)c1ccccc1 ZINC000009292235 556274294 /nfs/dbraw/zinc/27/42/94/556274294.db2.gz DZBDHUSWYFYFIV-UGKGYDQZSA-N 0 0 431.875 4.725 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009295111 556274918 /nfs/dbraw/zinc/27/49/18/556274918.db2.gz PFUZHFMVSQFOJD-PMACEKPBSA-N 0 0 441.988 4.844 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1 ZINC000013689216 556278725 /nfs/dbraw/zinc/27/87/25/556278725.db2.gz UXZHMOWNLBYRGH-UHFFFAOYSA-N 0 0 440.565 4.535 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCC[C@@H]1c1cccnc1 ZINC000009411082 556288755 /nfs/dbraw/zinc/28/87/55/556288755.db2.gz IRPULAJQASJBJI-YQVWRLOYSA-N 0 0 445.445 4.899 50 0 IJAARN O=C(CCn1ccc2cc(Br)ccc21)Nc1ccccc1C(=O)N1CCCC1 ZINC000013727122 556293494 /nfs/dbraw/zinc/29/34/94/556293494.db2.gz DAOVBQATOMCIKU-UHFFFAOYSA-N 0 0 440.341 4.669 50 0 IJAARN CCc1ccccc1NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000013732673 556296541 /nfs/dbraw/zinc/29/65/41/556296541.db2.gz QUVBFGJRYZSLDE-UHFFFAOYSA-N 0 0 435.520 4.957 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 ZINC000013736488 556297802 /nfs/dbraw/zinc/29/78/02/556297802.db2.gz HZNKCARBOCXEOG-UHFFFAOYSA-N 0 0 443.580 4.507 50 0 IJAARN CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000009559828 556298303 /nfs/dbraw/zinc/29/83/03/556298303.db2.gz DBZFRLCTAJCUPP-MRXNPFEDSA-N 0 0 443.540 4.999 50 0 IJAARN CCN(CCO)c1nc(SC)nc2c3c(nc(-c4ccccc4)c4c3CCC4)sc21 ZINC000013758582 556301228 /nfs/dbraw/zinc/30/12/28/556301228.db2.gz AYSOCSAEVCMLPH-UHFFFAOYSA-N 0 0 436.606 4.936 50 0 IJAARN COc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Br ZINC000009668098 556305235 /nfs/dbraw/zinc/30/52/35/556305235.db2.gz UFBTUDRUKUSNIX-UHFFFAOYSA-N 0 0 438.281 4.591 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000009668171 556305273 /nfs/dbraw/zinc/30/52/73/556305273.db2.gz NBMJRLYWCDEWRI-UHFFFAOYSA-N 0 0 438.911 4.720 50 0 IJAARN Cc1cc(C)c(C)c(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000032731793 556305332 /nfs/dbraw/zinc/30/53/32/556305332.db2.gz UQPBWHAZBNPBLX-UHFFFAOYSA-N 0 0 448.485 4.977 50 0 IJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1 ZINC000009673010 556305509 /nfs/dbraw/zinc/30/55/09/556305509.db2.gz HQSJVGJRCBRXGV-FQEVSTJZSA-N 0 0 437.613 4.524 50 0 IJAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2Cl)c1 ZINC000013776613 556307588 /nfs/dbraw/zinc/30/75/88/556307588.db2.gz CPYZEIKAXZMMRX-ZFJSRUIDSA-N 0 0 429.944 4.866 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 ZINC000013804014 556310800 /nfs/dbraw/zinc/31/08/00/556310800.db2.gz SBJJKOPNAQQODC-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN O=c1/c(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)sc2nc3ccccc3n12 ZINC000013809738 556311604 /nfs/dbraw/zinc/31/16/04/556311604.db2.gz LSNJYTAJEPFHLR-CIAFOILYSA-N 0 0 436.895 4.828 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C\c2ccco2)no1 ZINC000009835472 556312766 /nfs/dbraw/zinc/31/27/66/556312766.db2.gz ABBPCCBPWMFGAM-DTQAZKPQSA-N 0 0 443.459 4.797 50 0 IJAARN COc1ccc([C@H](C)N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 ZINC000032752820 556313914 /nfs/dbraw/zinc/31/39/14/556313914.db2.gz HNCIJZIJNMVPFZ-AWEZNQCLSA-N 0 0 428.330 4.785 50 0 IJAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000032747504 556316034 /nfs/dbraw/zinc/31/60/34/556316034.db2.gz DBRSJJSREHPCJF-BCHFMIIMSA-N 0 0 444.556 4.753 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1C1CCCC1)Nc1cccc(F)c1 ZINC000009934300 556318219 /nfs/dbraw/zinc/31/82/19/556318219.db2.gz MXBNDGDGXWVRDD-LJQANCHMSA-N 0 0 429.879 4.588 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013845201 556318792 /nfs/dbraw/zinc/31/87/92/556318792.db2.gz XPFVZWKLKPCCSD-INIZCTEOSA-N 0 0 428.941 4.800 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cc(C)cc(C)c2)c2ccccc23)cc1 ZINC000009970200 556319187 /nfs/dbraw/zinc/31/91/87/556319187.db2.gz ZFDAMWDUSHPRMG-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)c3)oc2c(C)c1 ZINC000010003503 556320590 /nfs/dbraw/zinc/32/05/90/556320590.db2.gz DYZYINSEKFUTBV-UHFFFAOYSA-N 0 0 445.500 4.967 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000032753458 556322478 /nfs/dbraw/zinc/32/24/78/556322478.db2.gz VQJDYRSXKNQPHQ-UHFFFAOYSA-N 0 0 441.516 4.640 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000013914383 556332194 /nfs/dbraw/zinc/33/21/94/556332194.db2.gz BKXYZMFZUZUDJL-OAQYLSRUSA-N 0 0 444.915 4.509 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1=O ZINC000010461895 556335531 /nfs/dbraw/zinc/33/55/31/556335531.db2.gz JKYFDYVJPWAPOB-OAHLLOKOSA-N 0 0 448.350 4.833 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1=O ZINC000010461922 556335573 /nfs/dbraw/zinc/33/55/73/556335573.db2.gz DGFDOBSHGIKQDF-HNNXBMFYSA-N 0 0 448.350 4.833 50 0 IJAARN COc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013936085 556336064 /nfs/dbraw/zinc/33/60/64/556336064.db2.gz VIEGXMDLMYUMAV-UHFFFAOYSA-N 0 0 447.969 4.958 50 0 IJAARN Cn1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c2ccccc21 ZINC000010558952 556336848 /nfs/dbraw/zinc/33/68/48/556336848.db2.gz KGXVDQHSYIHTBP-UHFFFAOYSA-N 0 0 425.517 4.796 50 0 IJAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N(C)CC34CC5CC(CC(C5)C3)C4)o2)s1 ZINC000011662548 556343910 /nfs/dbraw/zinc/34/39/10/556343910.db2.gz DQBWLFWMZREEEY-UHFFFAOYSA-N 0 0 427.570 4.608 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011664715 556345313 /nfs/dbraw/zinc/34/53/13/556345313.db2.gz YVTZPXILXWURPB-OAQYLSRUSA-N 0 0 433.552 4.644 50 0 IJAARN COc1ccc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)n2)cc1OC ZINC000011664999 556345599 /nfs/dbraw/zinc/34/55/99/556345599.db2.gz SGRHSIAVSBSXSJ-HHHXNRCGSA-N 0 0 441.531 4.605 50 0 IJAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)nc(C)n2)n1 ZINC000011665334 556345664 /nfs/dbraw/zinc/34/56/64/556345664.db2.gz UPAUMDDIHRQCCJ-SANMLTNESA-N 0 0 439.563 4.956 50 0 IJAARN CCCCN(C(=O)c1ccccc1Br)c1nc(C)c(C(=O)OCC)s1 ZINC000013961404 556348903 /nfs/dbraw/zinc/34/89/03/556348903.db2.gz RIBHCNIOUPUXNF-UHFFFAOYSA-N 0 0 425.348 4.838 50 0 IJAARN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000011762528 556349310 /nfs/dbraw/zinc/34/93/10/556349310.db2.gz LCFNZEFVUODPAN-AREMUKBSSA-N 0 0 436.527 4.654 50 0 IJAARN O=C(c1ccc(OC2CCN(Cc3ccccc3OC(F)F)CC2)cc1)N1CCCC1 ZINC000011762181 556349434 /nfs/dbraw/zinc/34/94/34/556349434.db2.gz NNXZMXQFNUDZSV-UHFFFAOYSA-N 0 0 430.495 4.567 50 0 IJAARN COc1ccccc1[C@H]1CCCN1C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011783221 556351796 /nfs/dbraw/zinc/35/17/96/556351796.db2.gz ZHBJUIYOZJSMGG-BWKNWUBXSA-N 0 0 440.971 4.684 50 0 IJAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2F)C1 ZINC000011785128 556352813 /nfs/dbraw/zinc/35/28/13/556352813.db2.gz MIEQHFLBIPQQBE-GOSISDBHSA-N 0 0 442.494 4.591 50 0 IJAARN Cc1ncc(Cc2ccccc2)c([C@H]2CCCN(C(=O)COc3ccccc3Cl)C2)n1 ZINC000011788056 556354183 /nfs/dbraw/zinc/35/41/83/556354183.db2.gz QKBWLSPXHCLBAL-FQEVSTJZSA-N 0 0 435.955 4.814 50 0 IJAARN CCCN(CC1CC1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000011814417 556357640 /nfs/dbraw/zinc/35/76/40/556357640.db2.gz YVAJBBBKWBZXGL-MUUNZHRXSA-N 0 0 444.575 4.551 50 0 IJAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818253 556360502 /nfs/dbraw/zinc/36/05/02/556360502.db2.gz NJZLUDNURUEYRR-HNNXBMFYSA-N 0 0 430.961 4.616 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1 ZINC000014077333 556362444 /nfs/dbraw/zinc/36/24/44/556362444.db2.gz ZFSNMTGQKUZTMI-UHFFFAOYSA-N 0 0 438.524 4.674 50 0 IJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CCOc2ccccc2)CC1 ZINC000011838337 556363406 /nfs/dbraw/zinc/36/34/06/556363406.db2.gz QTJJDYVCADUBIC-UHFFFAOYSA-N 0 0 429.944 4.524 50 0 IJAARN O=C(Cc1cccc2ccccc21)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 ZINC000011841117 556364973 /nfs/dbraw/zinc/36/49/73/556364973.db2.gz LAMSHPFORVJUMX-HXUWFJFHSA-N 0 0 429.907 4.613 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)cc21 ZINC000014095885 556367779 /nfs/dbraw/zinc/36/77/79/556367779.db2.gz QCBMDOKWWUSYIP-OAHLLOKOSA-N 0 0 444.516 4.617 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000011865708 556368199 /nfs/dbraw/zinc/36/81/99/556368199.db2.gz KAARAVYFLXFJOW-JOCHJYFZSA-N 0 0 449.503 4.843 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3C(N)=O)cc2)cc1 ZINC000014109277 556369093 /nfs/dbraw/zinc/36/90/93/556369093.db2.gz MMVFOSKXISLEQT-UHFFFAOYSA-N 0 0 440.883 4.647 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c(C)c1 ZINC000011878998 556371306 /nfs/dbraw/zinc/37/13/06/556371306.db2.gz MBQYHFLOHXEIHC-LJQANCHMSA-N 0 0 433.552 4.685 50 0 IJAARN Cc1nc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(C(N)=O)c(C)c1C ZINC000014124291 556372850 /nfs/dbraw/zinc/37/28/50/556372850.db2.gz YZEAGACPSPEMKO-UHFFFAOYSA-N 0 0 443.588 4.698 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl ZINC000014125305 556373174 /nfs/dbraw/zinc/37/31/74/556373174.db2.gz YOBFKGLTDBVFSU-UHFFFAOYSA-N 0 0 448.972 4.640 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000014128522 556373552 /nfs/dbraw/zinc/37/35/52/556373552.db2.gz RVPGFBSSKQUNML-UHFFFAOYSA-N 0 0 444.992 4.795 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCc2sccc2[C@H]1c1cccs1 ZINC000014128868 556373843 /nfs/dbraw/zinc/37/38/43/556373843.db2.gz LHMYYJFSYNVLRK-FQEVSTJZSA-N 0 0 444.965 4.935 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000014129220 556374237 /nfs/dbraw/zinc/37/42/37/556374237.db2.gz SVMFXWKLIHPNMW-FQEVSTJZSA-N 0 0 442.515 4.732 50 0 IJAARN CN(Cc1cc(C2CC2)n[nH]1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011935937 556378184 /nfs/dbraw/zinc/37/81/84/556378184.db2.gz XREPHZGSYVZDMX-UHFFFAOYSA-N 0 0 441.535 4.560 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCC1 ZINC000014161200 556378267 /nfs/dbraw/zinc/37/82/67/556378267.db2.gz JUQWHAAUWYYIPU-KGLIPLIRSA-N 0 0 445.279 4.611 50 0 IJAARN CC[C@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1ccncc1 ZINC000011937051 556379155 /nfs/dbraw/zinc/37/91/55/556379155.db2.gz MOJWJAYXZPUOCK-QHCPKHFHSA-N 0 0 426.520 4.923 50 0 IJAARN O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)c1cc2ccccc2oc1=O ZINC000014181651 556382434 /nfs/dbraw/zinc/38/24/34/556382434.db2.gz ZKRWQYVBSXPJDL-UHFFFAOYSA-N 0 0 442.862 4.946 50 0 IJAARN CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc2n1 ZINC000014181145 556382550 /nfs/dbraw/zinc/38/25/50/556382550.db2.gz PLHKQSGXTCOGTG-UHFFFAOYSA-N 0 0 445.519 4.578 50 0 IJAARN CCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000014184252 556384494 /nfs/dbraw/zinc/38/44/94/556384494.db2.gz ZWXAGSVKBLOIJP-UHFFFAOYSA-N 0 0 443.981 4.889 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C)cc2)cc1 ZINC000014186063 556385679 /nfs/dbraw/zinc/38/56/79/556385679.db2.gz ILVQLGKFOHIDGV-UHFFFAOYSA-N 0 0 448.654 4.709 50 0 IJAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCCN2CCCC2=O)cc1 ZINC000012005120 556386372 /nfs/dbraw/zinc/38/63/72/556386372.db2.gz INSFDNWOTRHRQS-AREMUKBSSA-N 0 0 447.604 4.767 50 0 IJAARN CC1(C)C[C@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)CCO1 ZINC000012039916 556390883 /nfs/dbraw/zinc/39/08/83/556390883.db2.gz SCFCFCACASFSRQ-SJORKVTESA-N 0 0 433.470 4.997 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)C(Cl)(Cl)Cl ZINC000012062513 556395874 /nfs/dbraw/zinc/39/58/74/556395874.db2.gz LYNZNFUZCVUVBU-YNEQXMIYSA-N 0 0 447.510 4.876 50 0 IJAARN Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)ccc2o1 ZINC000014244320 556404198 /nfs/dbraw/zinc/40/41/98/556404198.db2.gz MLEJUOPCZDGJBD-UHFFFAOYSA-N 0 0 441.896 4.843 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578628 556405310 /nfs/dbraw/zinc/40/53/10/556405310.db2.gz IEBCFVPKRDFZIF-UHFFFAOYSA-N 0 0 442.475 4.688 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000032578647 556405505 /nfs/dbraw/zinc/40/55/05/556405505.db2.gz OZWXALMLWKIZBL-UHFFFAOYSA-N 0 0 443.459 4.745 50 0 IJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1ccc(F)c(Cl)c1 ZINC000032578951 556406032 /nfs/dbraw/zinc/40/60/32/556406032.db2.gz FUAPXROEBQKSNH-UHFFFAOYSA-N 0 0 437.858 4.891 50 0 IJAARN Cc1ccc(Sc2ccc(CN(C(=O)c3ccccc3)[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000032593340 556406949 /nfs/dbraw/zinc/40/69/49/556406949.db2.gz XEZIJLPAAYVRJI-IBGZPJMESA-N 0 0 441.574 4.569 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1ccc(Br)o1 ZINC000032593573 556407153 /nfs/dbraw/zinc/40/71/53/556407153.db2.gz CDFLYLLEBPMMPG-UHFFFAOYSA-N 0 0 435.122 4.637 50 0 IJAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622363 556409716 /nfs/dbraw/zinc/40/97/16/556409716.db2.gz PAGCNEHCUKVKBN-SFHVURJKSA-N 0 0 444.329 4.654 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1C ZINC000032623524 556410681 /nfs/dbraw/zinc/41/06/81/556410681.db2.gz LKQUCEHHFPBFTG-VWLOTQADSA-N 0 0 447.579 4.885 50 0 IJAARN Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(C(C)C)cc3)n2)c1 ZINC000032624386 556411221 /nfs/dbraw/zinc/41/12/21/556411221.db2.gz MFPZGJBCHUTGKK-UHFFFAOYSA-N 0 0 444.940 4.755 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)ccc21 ZINC000014367530 556414806 /nfs/dbraw/zinc/41/48/06/556414806.db2.gz VBPUVQNRMBNZTB-UHFFFAOYSA-N 0 0 443.385 4.568 50 0 IJAARN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000032672325 556415060 /nfs/dbraw/zinc/41/50/60/556415060.db2.gz UKOBVGDXQVBHIV-UHFFFAOYSA-N 0 0 437.521 4.653 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccccc1 ZINC000012972607 556419326 /nfs/dbraw/zinc/41/93/26/556419326.db2.gz ZDINYZUCXVSGSN-JOCHJYFZSA-N 0 0 445.519 4.637 50 0 IJAARN CC(=O)N(c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1 ZINC000012975762 556421329 /nfs/dbraw/zinc/42/13/29/556421329.db2.gz DXKZOJLESQFFRI-NRFANRHFSA-N 0 0 435.549 4.936 50 0 IJAARN COc1ccc(-c2nnc(CSc3ccccc3C(=O)OCC(=O)C(C)(C)C)o2)cc1 ZINC000012975859 556421584 /nfs/dbraw/zinc/42/15/84/556421584.db2.gz PHNKNDQKUOKUTA-UHFFFAOYSA-N 0 0 440.521 4.810 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c(I)c1 ZINC000012976948 556422164 /nfs/dbraw/zinc/42/21/64/556422164.db2.gz AWYOWIDSVRVSPV-IBGZPJMESA-N 0 0 446.288 4.502 50 0 IJAARN COc1ccccc1-c1nc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000012977067 556422174 /nfs/dbraw/zinc/42/21/74/556422174.db2.gz DBLVJNMZOMRGJX-UHFFFAOYSA-N 0 0 435.471 4.908 50 0 IJAARN COc1cccc(-c2nnc(SC[C@@H]3COc4ccccc4O3)n2Cc2ccco2)c1 ZINC000012980733 556424174 /nfs/dbraw/zinc/42/41/74/556424174.db2.gz REEPCQATCPATSY-IBGZPJMESA-N 0 0 435.505 4.527 50 0 IJAARN O=C(NCCNC(=O)c1ccccc1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000012984213 556425978 /nfs/dbraw/zinc/42/59/78/556425978.db2.gz VYTZLCQRRDWKBF-UHFFFAOYSA-N 0 0 448.519 4.779 50 0 IJAARN COc1ccc2c(CC(=O)N(Cc3ccc(OC(F)F)c(OC)c3)C3CC3)coc2c1 ZINC000012984962 556426159 /nfs/dbraw/zinc/42/61/59/556426159.db2.gz HMMHDUYWUQVTGQ-UHFFFAOYSA-N 0 0 431.435 4.785 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1Cl ZINC000012985862 556426851 /nfs/dbraw/zinc/42/68/51/556426851.db2.gz AKLOKDKXTCYQOD-HNNXBMFYSA-N 0 0 440.931 4.740 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(F)cc1F)CC2 ZINC000012992664 556428779 /nfs/dbraw/zinc/42/87/79/556428779.db2.gz VZMCOPIWGUSRRL-VWLOTQADSA-N 0 0 438.474 4.568 50 0 IJAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)no1 ZINC000032845895 556429694 /nfs/dbraw/zinc/42/96/94/556429694.db2.gz SUYQIMTXJSUARK-HJPURHCSSA-N 0 0 449.532 4.695 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)no1 ZINC000032845897 556429756 /nfs/dbraw/zinc/42/97/56/556429756.db2.gz SUYQIMTXJSUARK-WAIKUNEKSA-N 0 0 449.532 4.695 50 0 IJAARN COc1cc(C(=O)Nc2ccc(OC(=O)CCc3ccccc3)cc2)cc(OC)c1OC ZINC000014631769 556429929 /nfs/dbraw/zinc/42/99/29/556429929.db2.gz OOLUZZUAOXNIPG-UHFFFAOYSA-N 0 0 435.476 4.503 50 0 IJAARN CCN(C(=O)CCn1c2ccccc2n(CC)c1=O)c1nc2cc(Cl)ccc2s1 ZINC000032847851 556430329 /nfs/dbraw/zinc/43/03/29/556430329.db2.gz CMDQLWVQTYDNEV-UHFFFAOYSA-N 0 0 428.945 4.529 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1F)CC2 ZINC000012995265 556430573 /nfs/dbraw/zinc/43/05/73/556430573.db2.gz XAJCOOADOAKICS-XMMPIXPASA-N 0 0 440.540 4.799 50 0 IJAARN COc1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc(OC)c1OC ZINC000012997970 556432171 /nfs/dbraw/zinc/43/21/71/556432171.db2.gz HJWAFFPKLDYSQZ-UHFFFAOYSA-N 0 0 425.466 4.538 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012998925 556432677 /nfs/dbraw/zinc/43/26/77/556432677.db2.gz ORFFBGSTFMKSOK-UHFFFAOYSA-N 0 0 439.899 4.982 50 0 IJAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000011024780 556433706 /nfs/dbraw/zinc/43/37/06/556433706.db2.gz MEOCDTNJUJHYBE-UHFFFAOYSA-N 0 0 436.899 4.854 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000027907705 556435315 /nfs/dbraw/zinc/43/53/15/556435315.db2.gz QZFAOALOHLSBGZ-RUZDIDTESA-N 0 0 439.515 4.762 50 0 IJAARN Cc1nc2c(s1)c(-c1ccco1)nn(CC(=O)N(c1ccccc1)c1ccccc1)c2=O ZINC000013010566 556435753 /nfs/dbraw/zinc/43/57/53/556435753.db2.gz MMTVWQWMXSBJLU-UHFFFAOYSA-N 0 0 442.500 4.786 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)nc2ccccc21 ZINC000013015192 556437356 /nfs/dbraw/zinc/43/73/56/556437356.db2.gz PTNFLZVSLKKEHO-UHFFFAOYSA-N 0 0 435.833 4.796 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000013016288 556437957 /nfs/dbraw/zinc/43/79/57/556437957.db2.gz OODONPGTRDYUNN-QHCPKHFHSA-N 0 0 428.488 4.620 50 0 IJAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H]3Cc4ccccc4C(=O)O3)sc2c1 ZINC000013018499 556439279 /nfs/dbraw/zinc/43/92/79/556439279.db2.gz VFJUBLXROFCOEY-NRFANRHFSA-N 0 0 444.512 4.620 50 0 IJAARN CC[C@@H](C)Nc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014742821 556439382 /nfs/dbraw/zinc/43/93/82/556439382.db2.gz VBGRDDXKCGMZRA-OAHLLOKOSA-N 0 0 447.539 4.716 50 0 IJAARN Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)oc2cc(C)cc(C)c12 ZINC000027994056 556441096 /nfs/dbraw/zinc/44/10/96/556441096.db2.gz HXDCYEOGBYVMPK-FQEVSTJZSA-N 0 0 426.944 4.815 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000013028587 556441662 /nfs/dbraw/zinc/44/16/62/556441662.db2.gz BTLZEQCYMQAFDT-VQIMIIECSA-N 0 0 439.562 4.757 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1 ZINC000013031653 556442874 /nfs/dbraw/zinc/44/28/74/556442874.db2.gz LMHOEWQHTSSIFQ-FQEVSTJZSA-N 0 0 435.549 4.785 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc1 ZINC000013031650 556442982 /nfs/dbraw/zinc/44/29/82/556442982.db2.gz LMHOEWQHTSSIFQ-HXUWFJFHSA-N 0 0 435.549 4.785 50 0 IJAARN Clc1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)no2)cc1 ZINC000028189647 556444910 /nfs/dbraw/zinc/44/49/10/556444910.db2.gz HVVNOQDKDWKEML-HNNXBMFYSA-N 0 0 428.857 4.578 50 0 IJAARN Cc1nc2ccccc2nc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000028191284 556445005 /nfs/dbraw/zinc/44/50/05/556445005.db2.gz HBZZALFGOJETAK-HXUWFJFHSA-N 0 0 435.549 4.555 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 ZINC000014786072 556445419 /nfs/dbraw/zinc/44/54/19/556445419.db2.gz VUMQCGUTFLJBGP-UHFFFAOYSA-N 0 0 444.375 4.889 50 0 IJAARN CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000028251950 556446927 /nfs/dbraw/zinc/44/69/27/556446927.db2.gz PVSQFSJYYQLXTG-UHFFFAOYSA-N 0 0 438.593 4.920 50 0 IJAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000013040919 556446966 /nfs/dbraw/zinc/44/69/66/556446966.db2.gz RSUOIEBACRZDEH-JOCHJYFZSA-N 0 0 442.878 4.667 50 0 IJAARN O=C(CSc1nnc(NCc2ccco2)s1)N(Cc1ccco1)C1=CCCCC1 ZINC000032860307 556447157 /nfs/dbraw/zinc/44/71/57/556447157.db2.gz CFBKFSMGTNDGTO-UHFFFAOYSA-N 0 0 430.555 4.915 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(N2CCCC2)nc1 ZINC000014810450 556447497 /nfs/dbraw/zinc/44/74/97/556447497.db2.gz KQWUFROASZNXQE-JOCHJYFZSA-N 0 0 448.954 4.835 50 0 IJAARN CCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)CC1 ZINC000028287185 556447669 /nfs/dbraw/zinc/44/76/69/556447669.db2.gz JBSNZKPKQCVDSU-UHFFFAOYSA-N 0 0 428.492 4.731 50 0 IJAARN CCOc1ccc(CN(CC)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813585 556447992 /nfs/dbraw/zinc/44/79/92/556447992.db2.gz LIHCOASKSYCMDF-VWLOTQADSA-N 0 0 438.593 4.883 50 0 IJAARN Cc1cnc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)s1 ZINC000028292426 556450347 /nfs/dbraw/zinc/45/03/47/556450347.db2.gz VYYJAKFWUVWHOY-UHFFFAOYSA-N 0 0 435.372 4.857 50 0 IJAARN CCOc1ccc(C(=O)N[C@@H](C(=O)Oc2ccc(C3SCCS3)cc2)C(C)C)cc1 ZINC000013062991 556451252 /nfs/dbraw/zinc/45/12/52/556451252.db2.gz FKQLBCONMNHKRF-HXUWFJFHSA-N 0 0 445.606 4.924 50 0 IJAARN Cn1c(=S)n(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc1-c1ccc(Cl)cc1 ZINC000013073155 556454363 /nfs/dbraw/zinc/45/43/63/556454363.db2.gz KGEKQFRVVRYTQC-SFHVURJKSA-N 0 0 442.972 4.837 50 0 IJAARN O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000072275048 556455058 /nfs/dbraw/zinc/45/50/58/556455058.db2.gz SNKFBBDPVSAHJO-QFIPXVFZSA-N 0 0 444.466 4.954 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000032958466 556455315 /nfs/dbraw/zinc/45/53/15/556455315.db2.gz FQVNYUXDTGUKBL-UHFFFAOYSA-N 0 0 437.956 4.981 50 0 IJAARN Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000014886295 556455525 /nfs/dbraw/zinc/45/55/25/556455525.db2.gz PUXIAPHZRSENCI-OAQYLSRUSA-N 0 0 439.515 4.887 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)sc2c1 ZINC000032958361 556455740 /nfs/dbraw/zinc/45/57/40/556455740.db2.gz IUPFZWHWDZEPNW-UHFFFAOYSA-N 0 0 427.485 4.966 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2cccs2)n1C[C@@H]1CCCO1 ZINC000014889277 556456143 /nfs/dbraw/zinc/45/61/43/556456143.db2.gz QLKWJCBVKBMSII-IBGZPJMESA-N 0 0 428.627 4.751 50 0 IJAARN CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1-c1ccncc1 ZINC000014901698 556457031 /nfs/dbraw/zinc/45/70/31/556457031.db2.gz JQOYQHOKZDEIDW-UHFFFAOYSA-N 0 0 427.530 4.827 50 0 IJAARN CCOC(=O)c1oc2ccccc2c1COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000013098656 556459114 /nfs/dbraw/zinc/45/91/14/556459114.db2.gz UYNAPGPJHNIATF-UHFFFAOYSA-N 0 0 430.456 4.589 50 0 IJAARN O=C(OCCOc1cccc(Br)c1)c1ccccc1C(=O)c1ccccc1 ZINC000013098350 556459140 /nfs/dbraw/zinc/45/91/40/556459140.db2.gz UAZPPWXMMWNSRB-UHFFFAOYSA-N 0 0 425.278 4.916 50 0 IJAARN COc1cc2c(cc1OC)CN([C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1)CC2 ZINC000013100732 556460093 /nfs/dbraw/zinc/46/00/93/556460093.db2.gz NTJMORPNHYCAGF-AREMUKBSSA-N 0 0 444.531 4.645 50 0 IJAARN COc1cc2c(cc1OC)CN([C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1)CC2 ZINC000013100733 556460105 /nfs/dbraw/zinc/46/01/05/556460105.db2.gz NTJMORPNHYCAGF-SANMLTNESA-N 0 0 444.531 4.645 50 0 IJAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1(c2ccccc2)CCCC1 ZINC000014950045 556460266 /nfs/dbraw/zinc/46/02/66/556460266.db2.gz XSVDTHRPMZZXFV-UHFFFAOYSA-N 0 0 428.536 4.703 50 0 IJAARN CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 ZINC000028873253 556462847 /nfs/dbraw/zinc/46/28/47/556462847.db2.gz YJWCGTQHNBINKV-QGZVFWFLSA-N 0 0 437.492 4.870 50 0 IJAARN Cc1nc(C(=O)NCc2nnc(SCC3CCCCC3)n2-c2ccc(F)cc2)cs1 ZINC000014967798 556465933 /nfs/dbraw/zinc/46/59/33/556465933.db2.gz DLQBBSGXHAJNAU-UHFFFAOYSA-N 0 0 445.589 4.774 50 0 IJAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 ZINC000029060096 556466275 /nfs/dbraw/zinc/46/62/75/556466275.db2.gz YOBGZWYJKAGFFD-AVRWGWEMSA-N 0 0 442.515 4.517 50 0 IJAARN Cc1cccc(SC2CCN(C(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)c1 ZINC000014969273 556466493 /nfs/dbraw/zinc/46/64/93/556466493.db2.gz IQJBEFYOJMCBKS-OAQYLSRUSA-N 0 0 428.642 4.897 50 0 IJAARN Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013116876 556468903 /nfs/dbraw/zinc/46/89/03/556468903.db2.gz RZFGBIFNBRXKFR-FQEVSTJZSA-N 0 0 436.581 4.717 50 0 IJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)N4CCc5ccccc5C4)o3)cc2C1 ZINC000013116230 556468911 /nfs/dbraw/zinc/46/89/11/556468911.db2.gz DWNOOOAIXIIZRM-AWEZNQCLSA-N 0 0 425.579 4.600 50 0 IJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnnn2-c2ccccc2C)c1 ZINC000013117055 556469183 /nfs/dbraw/zinc/46/91/83/556469183.db2.gz QGMJALUCNAOKHY-UHFFFAOYSA-N 0 0 429.549 4.605 50 0 IJAARN Cc1ccccc1N(CC(=O)N[C@@H](c1cccs1)C(C)C)S(=O)(=O)c1ccccc1 ZINC000011041539 556470612 /nfs/dbraw/zinc/47/06/12/556470612.db2.gz ODEVBLMRARCJJU-HSZRJFAPSA-N 0 0 442.606 4.765 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000029350771 556473002 /nfs/dbraw/zinc/47/30/02/556473002.db2.gz UEUJWGBTRBTNPT-KRWDZBQOSA-N 0 0 429.548 4.719 50 0 IJAARN COc1ccc(CCN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1OC ZINC000013121078 556473570 /nfs/dbraw/zinc/47/35/70/556473570.db2.gz ZYOAEZYZVYTDJN-UHFFFAOYSA-N 0 0 447.560 4.933 50 0 IJAARN COc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)c(OC)c1 ZINC000029390928 556474345 /nfs/dbraw/zinc/47/43/45/556474345.db2.gz HAGRSZRXDRVAEP-UHFFFAOYSA-N 0 0 430.873 4.750 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000013127275 556475999 /nfs/dbraw/zinc/47/59/99/556475999.db2.gz CLWUXKMSFRDJQH-RTBURBONSA-N 0 0 431.521 4.747 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000013127271 556476043 /nfs/dbraw/zinc/47/60/43/556476043.db2.gz CLWUXKMSFRDJQH-OALUTQOASA-N 0 0 431.521 4.747 50 0 IJAARN CSc1nc(C)c(CCC(=O)OCC(=O)N(Cc2ccccc2)c2ccccc2)c(C)n1 ZINC000029504218 556476904 /nfs/dbraw/zinc/47/69/04/556476904.db2.gz PGMVEGKCWSIXIE-UHFFFAOYSA-N 0 0 449.576 4.525 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1 ZINC000013128146 556477518 /nfs/dbraw/zinc/47/75/18/556477518.db2.gz GFVAKOMMEMHCHN-KRWDZBQOSA-N 0 0 437.521 4.599 50 0 IJAARN COCc1ccc(CN2CCOc3ccc([C@@H](O)c4c(F)cccc4Cl)cc3C2)o1 ZINC000014997603 556478637 /nfs/dbraw/zinc/47/86/37/556478637.db2.gz OYQQKFNORHDOPV-HSZRJFAPSA-N 0 0 431.891 4.695 50 0 IJAARN CC(C)(C)c1ccc(C(=O)O[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013131802 556480736 /nfs/dbraw/zinc/48/07/36/556480736.db2.gz CRXUTYKGPPFVNY-DNQXCXABSA-N 0 0 449.572 4.785 50 0 IJAARN CCCCOCCN(C(=O)Cc1cn2cccc(C)c2n1)c1ccccc1Br ZINC000072288722 556482195 /nfs/dbraw/zinc/48/21/95/556482195.db2.gz UFBIPLDPKQLTAL-UHFFFAOYSA-N 0 0 444.373 4.798 50 0 IJAARN COC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000013135021 556483169 /nfs/dbraw/zinc/48/31/69/556483169.db2.gz FXPANCPOLRNVHO-IRXDYDNUSA-N 0 0 447.560 4.876 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000029839667 556483865 /nfs/dbraw/zinc/48/38/65/556483865.db2.gz ATVWZHZMMVCBJE-GMAHTHKFSA-N 0 0 430.573 4.775 50 0 IJAARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SC[C@H]2CCCCO2)CCCC4)c1 ZINC000013138185 556485039 /nfs/dbraw/zinc/48/50/39/556485039.db2.gz YTMGPDCVSOUUGI-QGZVFWFLSA-N 0 0 442.606 4.996 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016172 556485480 /nfs/dbraw/zinc/48/54/80/556485480.db2.gz ZXLCPQOMZIDKGQ-DVECYGJZSA-N 0 0 434.517 4.932 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000013141047 556485969 /nfs/dbraw/zinc/48/59/69/556485969.db2.gz QEZNWIVGDCBVRH-UHFFFAOYSA-N 0 0 445.548 4.589 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)NCc1ccc(Cl)cc1 ZINC000013141474 556486620 /nfs/dbraw/zinc/48/66/20/556486620.db2.gz MSIIEBFJUVXERT-UHFFFAOYSA-N 0 0 438.734 4.561 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015018941 556487124 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DXPBOTHBQMREHL-UHFFFAOYSA-N 0 0 439.712 4.733 50 0 IJAARN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000001196305 556574467 /nfs/dbraw/zinc/57/44/67/556574467.db2.gz YILUGHMTPIVGMW-UHFFFAOYSA-N 0 0 448.313 4.928 50 0 IJAARN O=C(NCCOc1cccc(Oc2ccccc2)c1)c1cc(-n2cnnc2)ccc1Cl ZINC000002870668 556575483 /nfs/dbraw/zinc/57/54/83/556575483.db2.gz CNRFRGRTKNLFBP-UHFFFAOYSA-N 0 0 434.883 4.522 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 ZINC000016024769 556576282 /nfs/dbraw/zinc/57/62/82/556576282.db2.gz BEXNRMBMXUNHOC-UHFFFAOYSA-N 0 0 435.138 4.666 50 0 IJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccccc1Br ZINC000032909696 556576755 /nfs/dbraw/zinc/57/67/55/556576755.db2.gz CFXFEFQIRZDJMT-UHFFFAOYSA-N 0 0 425.330 4.995 50 0 IJAARN Cc1c(NC(=O)Cc2cccc3cccnc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000032909954 556578077 /nfs/dbraw/zinc/57/80/77/556578077.db2.gz AWLVNTAAOPGUAA-UHFFFAOYSA-N 0 0 441.556 4.984 50 0 IJAARN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)c1 ZINC000072310171 556579349 /nfs/dbraw/zinc/57/93/49/556579349.db2.gz KJQIGQNEQVUANN-QFIPXVFZSA-N 0 0 446.588 4.532 50 0 IJAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1ccc(F)c(F)c1 ZINC000034712472 556581217 /nfs/dbraw/zinc/58/12/17/556581217.db2.gz MQUQSIIQHFLFTM-UHFFFAOYSA-N 0 0 430.476 4.912 50 0 IJAARN O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709687 556581227 /nfs/dbraw/zinc/58/12/27/556581227.db2.gz UDZWPUMIMNTKJB-VXKWHMMOSA-N 0 0 434.486 4.527 50 0 IJAARN COc1cc(F)c(S(=O)(=O)N([C@@H](C)c2cccc3ccccc32)C2CC2)cc1OC ZINC000032911856 556585303 /nfs/dbraw/zinc/58/53/03/556585303.db2.gz WWNUZQYMZIESGC-HNNXBMFYSA-N 0 0 429.513 4.910 50 0 IJAARN CCO[C@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)C12CCCCC2 ZINC000072311489 556585351 /nfs/dbraw/zinc/58/53/51/556585351.db2.gz KBVFPSVMNKQEIV-RPBOFIJWSA-N 0 0 448.607 4.936 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1nc2cc(Cl)c(OC)cc2s1 ZINC000016226821 556592797 /nfs/dbraw/zinc/59/27/97/556592797.db2.gz CDFAVRJOTVBQSZ-UHFFFAOYSA-N 0 0 427.707 4.982 50 0 IJAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000016269010 556596336 /nfs/dbraw/zinc/59/63/36/556596336.db2.gz PMQJYQDVTOCYHR-ZDUSSCGKSA-N 0 0 448.894 4.769 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000016293278 556598472 /nfs/dbraw/zinc/59/84/72/556598472.db2.gz PROJUEFPEGRNIL-SFHVURJKSA-N 0 0 445.968 4.841 50 0 IJAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC)[C@H](c1ccc(F)cc1)c1cccn1-2 ZINC000032977738 556600640 /nfs/dbraw/zinc/60/06/40/556600640.db2.gz NIKSCCNWQPNQFU-HSZRJFAPSA-N 0 0 429.499 4.609 50 0 IJAARN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000060269116 556601046 /nfs/dbraw/zinc/60/10/46/556601046.db2.gz URHRIEGOOBKRCV-AWEZNQCLSA-N 0 0 441.359 4.923 50 0 IJAARN CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000032994584 556609446 /nfs/dbraw/zinc/60/94/46/556609446.db2.gz RQELGKHTISJZKL-NGOBRMJYSA-N 0 0 430.618 4.588 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000032990916 556609689 /nfs/dbraw/zinc/60/96/89/556609689.db2.gz QCAHORBEJDSAIE-LJQANCHMSA-N 0 0 448.548 4.941 50 0 IJAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC1=CCCCC1 ZINC000032995212 556610467 /nfs/dbraw/zinc/61/04/67/556610467.db2.gz VZWMCBQSHNCRNJ-UHFFFAOYSA-N 0 0 432.977 4.773 50 0 IJAARN Cc1cc(Sc2ccccc2NC(=O)c2ccc(Br)cc2)n2ncnc2n1 ZINC000032995729 556611010 /nfs/dbraw/zinc/61/10/10/556611010.db2.gz AJUJHMWTGYSZOV-UHFFFAOYSA-N 0 0 440.326 4.599 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2c(C)cc(C)cc2C)c3=O)cc1 ZINC000038487097 556612870 /nfs/dbraw/zinc/61/28/70/556612870.db2.gz ACEUJPKZLCTEEJ-UHFFFAOYSA-N 0 0 433.533 4.698 50 0 IJAARN CCCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000016638549 556619447 /nfs/dbraw/zinc/61/94/47/556619447.db2.gz DONCJBXSACACQA-UHFFFAOYSA-N 0 0 427.522 4.996 50 0 IJAARN CCC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)n2)ccc1C ZINC000016647901 556620011 /nfs/dbraw/zinc/62/00/11/556620011.db2.gz LUAHUBQQQRHAHA-IBGZPJMESA-N 0 0 446.551 4.692 50 0 IJAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000033689797 556621587 /nfs/dbraw/zinc/62/15/87/556621587.db2.gz MTVOZUBIENQNRD-ZHZULCJRSA-N 0 0 426.538 4.589 50 0 IJAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc(Br)c1 ZINC000016677719 556622603 /nfs/dbraw/zinc/62/26/03/556622603.db2.gz OLTPEZCPQXVRDX-JOCHJYFZSA-N 0 0 448.368 4.955 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCn3ccc4ccccc43)cc2)cc1 ZINC000071804539 556627056 /nfs/dbraw/zinc/62/70/56/556627056.db2.gz XCCAUBKKQYGIDT-UHFFFAOYSA-N 0 0 433.533 4.779 50 0 IJAARN CC(=O)NCCCCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 ZINC000039317733 556627818 /nfs/dbraw/zinc/62/78/18/556627818.db2.gz JTMNOZTYOUZRLK-UHFFFAOYSA-N 0 0 425.523 4.963 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000016694887 556628233 /nfs/dbraw/zinc/62/82/33/556628233.db2.gz DWRABYSFKLVNQA-UHFFFAOYSA-N 0 0 438.530 4.531 50 0 IJAARN CCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000016734952 556633041 /nfs/dbraw/zinc/63/30/41/556633041.db2.gz LDWNTIBSOSDPIS-KOAZRBSPSA-N 0 0 437.952 4.701 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccc(F)cc3F)C2)cc1 ZINC000097938708 556634953 /nfs/dbraw/zinc/63/49/53/556634953.db2.gz JHRFXDGZCFPRAX-QGZVFWFLSA-N 0 0 449.461 4.864 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000033788550 556635174 /nfs/dbraw/zinc/63/51/74/556635174.db2.gz CUHMMJPLRJEUJN-UHFFFAOYSA-N 0 0 443.595 4.964 50 0 IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)nc1C ZINC000016741487 556635491 /nfs/dbraw/zinc/63/54/91/556635491.db2.gz SUHFVXFJDANRMY-LJQANCHMSA-N 0 0 448.475 4.958 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1Cc1ccncc1 ZINC000016753552 556638396 /nfs/dbraw/zinc/63/83/96/556638396.db2.gz VPUAZDJENDUCLM-HXUWFJFHSA-N 0 0 447.288 4.696 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016753525 556638403 /nfs/dbraw/zinc/63/84/03/556638403.db2.gz DKHIWVWCLISRMV-HSZRJFAPSA-N 0 0 426.472 4.722 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 ZINC000016753543 556638553 /nfs/dbraw/zinc/63/85/53/556638553.db2.gz ZVWFPBTZUAZROX-HSZRJFAPSA-N 0 0 426.472 4.722 50 0 IJAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCCC3)CC2)c1 ZINC000037524279 556639090 /nfs/dbraw/zinc/63/90/90/556639090.db2.gz WTVYVADZZCGRNN-UHFFFAOYSA-N 0 0 433.596 4.704 50 0 IJAARN Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000037556623 556644944 /nfs/dbraw/zinc/64/49/44/556644944.db2.gz PGKGXOCSRMWAMT-UHFFFAOYSA-N 0 0 442.559 4.552 50 0 IJAARN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1 ZINC000037613889 556648149 /nfs/dbraw/zinc/64/81/49/556648149.db2.gz DNKMOSOMUBKGKX-JOCHJYFZSA-N 0 0 443.975 4.680 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Br)c1 ZINC000016899404 556648501 /nfs/dbraw/zinc/64/85/01/556648501.db2.gz SSUHPZBNOJYPHQ-AWEZNQCLSA-N 0 0 445.260 4.910 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4[C@H](C)CCC[C@@H]4C)cc3n2)cc1 ZINC000016949331 556649832 /nfs/dbraw/zinc/64/98/32/556649832.db2.gz XKJBXGDXNIHBPF-OKILXGFUSA-N 0 0 432.446 4.827 50 0 IJAARN COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2Cl)c1 ZINC000016960361 556651227 /nfs/dbraw/zinc/65/12/27/556651227.db2.gz FHWHBCPIVUYCGR-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN CCCn1nc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc2c1=O ZINC000016963740 556651477 /nfs/dbraw/zinc/65/14/77/556651477.db2.gz WMGXKNKSOAMNHV-QHCPKHFHSA-N 0 0 429.545 4.656 50 0 IJAARN CCCn1c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000016982287 556651960 /nfs/dbraw/zinc/65/19/60/556651960.db2.gz YJICQBQOAUMOFA-ZDUSSCGKSA-N 0 0 428.945 4.566 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000033004261 556654817 /nfs/dbraw/zinc/65/48/17/556654817.db2.gz GMALGWDUSLOQKN-HXUWFJFHSA-N 0 0 429.495 4.748 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCCc4ccccc4)cc3)c2cc1C ZINC000033005978 556655294 /nfs/dbraw/zinc/65/52/94/556655294.db2.gz NOKOKNVZSWORBV-UHFFFAOYSA-N 0 0 439.559 4.733 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc(=O)n3c2cc1C ZINC000033009047 556656288 /nfs/dbraw/zinc/65/62/88/556656288.db2.gz AYKZXPHFOAPAPZ-UHFFFAOYSA-N 0 0 433.411 4.677 50 0 IJAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000011847399 556660106 /nfs/dbraw/zinc/66/01/06/556660106.db2.gz HJPVENKXMMNMDA-UHFFFAOYSA-N 0 0 439.496 4.712 50 0 IJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000033013025 556662343 /nfs/dbraw/zinc/66/23/43/556662343.db2.gz WRSOHIFVTSNQMN-UHFFFAOYSA-N 0 0 443.459 4.779 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccc(-c3noc(-c4ccccc4)n3)cc2OC)cc1 ZINC000033013056 556662377 /nfs/dbraw/zinc/66/23/77/556662377.db2.gz VCHDQOVCSIPPBI-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCc1c(C)sc(NC(=S)Nc2ccn(Cc3ccccc3F)n2)c1C(=O)OC ZINC000017098024 556662509 /nfs/dbraw/zinc/66/25/09/556662509.db2.gz RMKDKGQCKSGOFD-UHFFFAOYSA-N 0 0 432.546 4.598 50 0 IJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 ZINC000017098697 556663538 /nfs/dbraw/zinc/66/35/38/556663538.db2.gz CCLMHCLYZSBSRL-UHFFFAOYSA-N 0 0 433.943 4.881 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013442 556664093 /nfs/dbraw/zinc/66/40/93/556664093.db2.gz AVSYMHRNZNCLPO-UHFFFAOYSA-N 0 0 431.489 4.733 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OC)c1C ZINC000017099308 556664487 /nfs/dbraw/zinc/66/44/87/556664487.db2.gz PTVDHDSCRKYYMI-VAWYXSNFSA-N 0 0 434.945 4.630 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 ZINC000017099642 556664918 /nfs/dbraw/zinc/66/49/18/556664918.db2.gz OBDDUKAUZJHCRL-UHFFFAOYSA-N 0 0 435.549 4.835 50 0 IJAARN CCN1CCN(C(=O)c2cc(-c3cccc(C)c3)nc3ccc(Br)cc32)CC1 ZINC000017101983 556666255 /nfs/dbraw/zinc/66/62/55/556666255.db2.gz MMPUWQRCSKZSRX-UHFFFAOYSA-N 0 0 438.369 4.750 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cc(Cl)ccc1OC ZINC000017102784 556666934 /nfs/dbraw/zinc/66/69/34/556666934.db2.gz FHGHHZMDRZFCBF-UHFFFAOYSA-N 0 0 438.887 4.636 50 0 IJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1O ZINC000017167204 556671134 /nfs/dbraw/zinc/67/11/34/556671134.db2.gz YMKLKGBCRPINEY-MFOYZWKCSA-N 0 0 434.311 4.790 50 0 IJAARN C[C@@H]1CCN(C(=O)CCn2cnc3ccccc3c2=O)c2cc(C(F)(F)F)ccc2S1 ZINC000032933470 556677631 /nfs/dbraw/zinc/67/76/31/556677631.db2.gz MOOROLUXNXDBAM-CQSZACIVSA-N 0 0 447.482 4.723 50 0 IJAARN Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2Br)cs1 ZINC000032935825 556678564 /nfs/dbraw/zinc/67/85/64/556678564.db2.gz DOTGMCJUWVDJEV-UHFFFAOYSA-N 0 0 441.347 4.749 50 0 IJAARN O=C(Nc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1)c1ccco1 ZINC000018019519 556681529 /nfs/dbraw/zinc/68/15/29/556681529.db2.gz DAKPIZJBMHTCKD-UHFFFAOYSA-N 0 0 432.255 4.749 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(Oc4cccc(F)c4)nc3)no2)c1 ZINC000060323156 556685134 /nfs/dbraw/zinc/68/51/34/556685134.db2.gz WTDJVPJDBFBIKN-UHFFFAOYSA-N 0 0 449.438 4.615 50 0 IJAARN Cc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c(C)c1 ZINC000018172695 556685617 /nfs/dbraw/zinc/68/56/17/556685617.db2.gz CGGNAHKRVUECAY-XBLGPDGASA-N 0 0 429.362 4.592 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)N1CCC(C)CC1 ZINC000046006111 556690060 /nfs/dbraw/zinc/69/00/60/556690060.db2.gz TZADTFIYTABDAY-UHFFFAOYSA-N 0 0 434.584 4.936 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NCc1ccccc1 ZINC000046006180 556690063 /nfs/dbraw/zinc/69/00/63/556690063.db2.gz KRIDMICHVRBHOD-UHFFFAOYSA-N 0 0 442.563 4.993 50 0 IJAARN C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000032937699 556690201 /nfs/dbraw/zinc/69/02/01/556690201.db2.gz KFIZTGYYTJVYLA-CQSZACIVSA-N 0 0 446.338 4.954 50 0 IJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046006749 556690987 /nfs/dbraw/zinc/69/09/87/556690987.db2.gz ICYJAMZTZMYMTI-UHFFFAOYSA-N 0 0 436.462 4.895 50 0 IJAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(C(F)(F)F)c4)c(C)n3n2)c1 ZINC000046023863 556691149 /nfs/dbraw/zinc/69/11/49/556691149.db2.gz QSFOAPMIMNPHBM-UHFFFAOYSA-N 0 0 439.441 4.917 50 0 IJAARN NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1CC1CCOCC1 ZINC000252537451 556692161 /nfs/dbraw/zinc/69/21/61/556692161.db2.gz LEWAYMIEVAOZII-UHFFFAOYSA-N 0 0 434.359 4.561 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000046141397 556692680 /nfs/dbraw/zinc/69/26/80/556692680.db2.gz HTZOCSSGSKKRNG-UHFFFAOYSA-N 0 0 447.488 4.530 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccc(C)cc1 ZINC000013567773 556697900 /nfs/dbraw/zinc/69/79/00/556697900.db2.gz FQNSZLASWFMWNF-FQEVSTJZSA-N 0 0 441.483 4.865 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000000823226 556699333 /nfs/dbraw/zinc/69/93/33/556699333.db2.gz NMDBVEZHEGHUIB-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccnc(NC(=O)CSc2nnc(-c3ccc(C)c(C)c3)n2-c2ccccc2)c1 ZINC000033025612 556701165 /nfs/dbraw/zinc/70/11/65/556701165.db2.gz KXLVBCOJUJMDMG-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CCCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027928 556708063 /nfs/dbraw/zinc/70/80/63/556708063.db2.gz SFVNLMUTUFKKNB-UHFFFAOYSA-N 0 0 444.944 4.553 50 0 IJAARN CC(C)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000011123050 556710196 /nfs/dbraw/zinc/71/01/96/556710196.db2.gz BMTZEMDXUQHTGP-UHFFFAOYSA-N 0 0 433.533 4.892 50 0 IJAARN CC(C)CNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065688 556710491 /nfs/dbraw/zinc/71/04/91/556710491.db2.gz WHRAHSXSCDUADF-UHFFFAOYSA-N 0 0 448.542 4.926 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4F)c3)C2)cc1 ZINC000033034761 556716984 /nfs/dbraw/zinc/71/69/84/556716984.db2.gz KBXZYPYKLCRYBM-QHCPKHFHSA-N 0 0 446.522 4.784 50 0 IJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)C1 ZINC000033035884 556718618 /nfs/dbraw/zinc/71/86/18/556718618.db2.gz KLUVJFQABKQGSZ-LJQANCHMSA-N 0 0 433.474 4.544 50 0 IJAARN COc1cccc(Oc2c(=O)c3ccc4c(c3oc2C(F)(F)F)CN(C2CC2)CO4)c1 ZINC000013724399 556719313 /nfs/dbraw/zinc/71/93/13/556719313.db2.gz OBNYYZCAJQQJPS-UHFFFAOYSA-N 0 0 433.382 4.927 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000033037318 556722820 /nfs/dbraw/zinc/72/28/20/556722820.db2.gz JBQRVMLEULTPIX-UHFFFAOYSA-N 0 0 443.482 4.901 50 0 IJAARN Cc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1C ZINC000005187291 556723088 /nfs/dbraw/zinc/72/30/88/556723088.db2.gz GAXRGBONJODEPJ-DEOSSOPVSA-N 0 0 427.548 4.821 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000072328389 556725586 /nfs/dbraw/zinc/72/55/86/556725586.db2.gz ORNYQEZYNGRWLC-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000072328669 556726490 /nfs/dbraw/zinc/72/64/90/556726490.db2.gz FXTMKLXZLPJZEJ-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN O=C(CSc1nnc(CNc2ccccc2)n1Cc1ccccc1)OCc1ccccc1 ZINC000072329960 556727791 /nfs/dbraw/zinc/72/77/91/556727791.db2.gz LFNLRDNRBVADAE-UHFFFAOYSA-N 0 0 444.560 4.774 50 0 IJAARN COc1ccc(-n2ccnc(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)c2=O)cc1Cl ZINC000033039815 556731593 /nfs/dbraw/zinc/73/15/93/556731593.db2.gz ONOKFBDPXSUZGW-HNNXBMFYSA-N 0 0 428.941 4.875 50 0 IJAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000019296808 556734550 /nfs/dbraw/zinc/73/45/50/556734550.db2.gz FVVPYIDNWADPBY-NRFANRHFSA-N 0 0 435.307 4.512 50 0 IJAARN Cc1nc2ccc(C(=O)OCC(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2nc1C ZINC000019298428 556734774 /nfs/dbraw/zinc/73/47/74/556734774.db2.gz YBTAMHCAQPQGMG-XMMPIXPASA-N 0 0 439.515 4.504 50 0 IJAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1cccnc1)CCO2 ZINC000055107409 556734862 /nfs/dbraw/zinc/73/48/62/556734862.db2.gz GBRCKPGGVJUJNV-AREMUKBSSA-N 0 0 425.532 4.543 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000055526911 556741480 /nfs/dbraw/zinc/74/14/80/556741480.db2.gz ZRSPJQYYKRGLBT-UHFFFAOYSA-N 0 0 449.982 4.988 50 0 IJAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(c4cc(C)ccc4C)CC2)nc3=O)cc1 ZINC000056987118 556746271 /nfs/dbraw/zinc/74/62/71/556746271.db2.gz OISWBHHYVPYYTC-UHFFFAOYSA-N 0 0 446.576 4.604 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCOc1ccc(F)cc1 ZINC000057991747 556750936 /nfs/dbraw/zinc/75/09/36/556750936.db2.gz CAYWANYUAODGPV-UHFFFAOYSA-N 0 0 429.923 4.768 50 0 IJAARN O=C1CC2(CCN(c3nc(/C=C/c4ccccc4)nc4sc5c(c43)CCCC5)CC2)N1 ZINC000057994853 556751364 /nfs/dbraw/zinc/75/13/64/556751364.db2.gz JOBMYFZZBPZWCX-ZHACJKMWSA-N 0 0 430.577 4.599 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc4ccccc43)o2)c(OC)c1 ZINC000019423736 556755598 /nfs/dbraw/zinc/75/55/98/556755598.db2.gz HMCLIVSCOOARSW-OAHLLOKOSA-N 0 0 449.532 4.877 50 0 IJAARN Cc1ccc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000001785672 556757541 /nfs/dbraw/zinc/75/75/41/556757541.db2.gz FNSQQFIRWLNKFL-UHFFFAOYSA-N 0 0 444.560 4.695 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1cc(F)c(F)c(F)c1)C(=O)OC2 ZINC000062001665 556764638 /nfs/dbraw/zinc/76/46/38/556764638.db2.gz YTTHJUWDOFBRNO-NYYWCZLTSA-N 0 0 449.425 4.705 50 0 biogenic IJAARN COc1c(C)cnc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c1C ZINC000058167497 556767043 /nfs/dbraw/zinc/76/70/43/556767043.db2.gz JECJNWPIBIBERF-UHFFFAOYSA-N 0 0 434.471 4.630 50 0 IJAARN O=C(Nc1cccc(-c2ccsc2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000058231266 556774248 /nfs/dbraw/zinc/77/42/48/556774248.db2.gz RLQLFMSCAYWXAE-KRWDZBQOSA-N 0 0 444.553 4.594 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1OC ZINC000058297984 556778352 /nfs/dbraw/zinc/77/83/52/556778352.db2.gz OKWPDAFQVAXGJL-QGZVFWFLSA-N 0 0 441.915 4.817 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058377515 556783705 /nfs/dbraw/zinc/78/37/05/556783705.db2.gz SOMIDSIHUPUOAD-WMZOPIPTSA-N 0 0 433.257 4.541 50 0 IJAARN CC[S@@](=O)c1ccccc1C(=O)O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058669737 556791082 /nfs/dbraw/zinc/79/10/82/556791082.db2.gz ZQZMPFXANHNBMG-SSUCQYSQSA-N 0 0 438.427 4.801 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000072401473 556800607 /nfs/dbraw/zinc/80/06/07/556800607.db2.gz SOGYFCVOEIRUBO-HYBUGGRVSA-N 0 0 443.547 4.838 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401471 556800714 /nfs/dbraw/zinc/80/07/14/556800714.db2.gz SOGYFCVOEIRUBO-GBXCKJPGSA-N 0 0 443.547 4.838 50 0 IJAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)N(CC(C)C)CC(C)C)cc2)cc1 ZINC000002635174 556801220 /nfs/dbraw/zinc/80/12/20/556801220.db2.gz BJZVKEXNXFRNST-UHFFFAOYSA-N 0 0 425.525 4.576 50 0 IJAARN Cc1noc2ncc(C(=O)N3CCCc4c(NC(=O)c5ccc(F)cc5)cccc43)cc12 ZINC000059892162 556805282 /nfs/dbraw/zinc/80/52/82/556805282.db2.gz RYDRZVFOFXCROJ-UHFFFAOYSA-N 0 0 430.439 4.516 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000136497108 556810577 /nfs/dbraw/zinc/81/05/77/556810577.db2.gz DGWWELJHPNWNMX-QFIPXVFZSA-N 0 0 445.569 4.793 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000003294227 556810755 /nfs/dbraw/zinc/81/07/55/556810755.db2.gz AGQMFLFVTVVKIG-UHFFFAOYSA-N 0 0 442.447 4.860 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1cccc(Cl)c1 ZINC000003334463 556812470 /nfs/dbraw/zinc/81/24/70/556812470.db2.gz XYRHSUGTURISNI-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1C ZINC000003407066 556814563 /nfs/dbraw/zinc/81/45/63/556814563.db2.gz OEAVJDJBPVFFCV-UHFFFAOYSA-N 0 0 446.576 4.814 50 0 IJAARN COc1ccc([C@@H](CNC(=O)/C=C/c2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000003432759 556815402 /nfs/dbraw/zinc/81/54/02/556815402.db2.gz GNRGMTIHNLKSMA-ZCQBWMKESA-N 0 0 440.499 4.867 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1SCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000003515362 556817110 /nfs/dbraw/zinc/81/71/10/556817110.db2.gz OONVNPYQEDSFGH-UHFFFAOYSA-N 0 0 436.537 4.810 50 0 IJAARN CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003511813 556817168 /nfs/dbraw/zinc/81/71/68/556817168.db2.gz DZLQWKNYIGLKAR-CQSZACIVSA-N 0 0 449.502 4.601 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N(CC(C)C)CC(C)C)nnc1-c1ccncc1 ZINC000003580200 556817633 /nfs/dbraw/zinc/81/76/33/556817633.db2.gz KQFSKMZWRJWWCH-UHFFFAOYSA-N 0 0 437.613 4.870 50 0 IJAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c(Cl)c1 ZINC000033067763 556819495 /nfs/dbraw/zinc/81/94/95/556819495.db2.gz DNRQVRRDVIHRPL-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033067940 556820286 /nfs/dbraw/zinc/82/02/86/556820286.db2.gz DEMYLFPESCXXPM-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cc(C)ccc2n1)c1ccccc1 ZINC000033068140 556820899 /nfs/dbraw/zinc/82/08/99/556820899.db2.gz AVRWDBDSWRZALZ-NRFANRHFSA-N 0 0 427.504 4.714 50 0 IJAARN Cc1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033068263 556821531 /nfs/dbraw/zinc/82/15/31/556821531.db2.gz CGDIUAZLVSJYCM-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)c1 ZINC000033068270 556821958 /nfs/dbraw/zinc/82/19/58/556821958.db2.gz PINMDHYRNPUHBF-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064661885 556825719 /nfs/dbraw/zinc/82/57/19/556825719.db2.gz JCMLRCSEZIHQGL-VWLOTQADSA-N 0 0 447.535 4.886 50 0 IJAARN CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064662298 556826547 /nfs/dbraw/zinc/82/65/47/556826547.db2.gz OIHMUPSAIPHBBF-HSZRJFAPSA-N 0 0 444.000 4.933 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)N(C)c2ccccc2)c1 ZINC000033068651 556828066 /nfs/dbraw/zinc/82/80/66/556828066.db2.gz UBQQOIWOZCVVJJ-UHFFFAOYSA-N 0 0 429.545 4.984 50 0 IJAARN O=C(c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1)N1CCC(Cc2ccccc2)CC1 ZINC000064894158 556828862 /nfs/dbraw/zinc/82/88/62/556828862.db2.gz MSGDOFMHBAFSGA-UHFFFAOYSA-N 0 0 444.506 4.877 50 0 IJAARN COc1ccc(-n2nc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064949683 556829353 /nfs/dbraw/zinc/82/93/53/556829353.db2.gz OLOVSQXXIRVCTN-UHFFFAOYSA-N 0 0 442.500 4.833 50 0 IJAARN COc1cccc(-c2noc(-c3nn(-c4cccc(SC)c4)c(=O)c4ccccc43)n2)c1 ZINC000064950136 556829677 /nfs/dbraw/zinc/82/96/77/556829677.db2.gz HTRMFHSKZGAINY-UHFFFAOYSA-N 0 0 442.500 4.833 50 0 IJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002502 556830998 /nfs/dbraw/zinc/83/09/98/556830998.db2.gz GJJQBVZNDLTRDS-FQEVSTJZSA-N 0 0 440.547 4.515 50 0 IJAARN COc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(=O)Nc3cccc(OC)c3)n2)c1 ZINC000022996523 556832835 /nfs/dbraw/zinc/83/28/35/556832835.db2.gz VLUABKYUNGSPML-UHFFFAOYSA-N 0 0 445.397 4.622 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cnn(CC)c1C ZINC000019637021 556835722 /nfs/dbraw/zinc/83/57/22/556835722.db2.gz HGLVOPCQENCSSX-UHFFFAOYSA-N 0 0 442.610 4.945 50 0 IJAARN COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068925 556836473 /nfs/dbraw/zinc/83/64/73/556836473.db2.gz BKBBRTSSAHEOKX-UHFFFAOYSA-N 0 0 439.968 4.725 50 0 IJAARN CCc1cc(-c2nnc(SCC(=O)Nc3nnc(C4CCCCC4)s3)n2C)cs1 ZINC000019648105 556841040 /nfs/dbraw/zinc/84/10/40/556841040.db2.gz ZEUMSUKOGNTRSR-UHFFFAOYSA-N 0 0 448.643 4.736 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccccc12)OC(C)(C)CC3 ZINC000008791550 556846647 /nfs/dbraw/zinc/84/66/47/556846647.db2.gz FMWFKCUUGSNZGX-UHFFFAOYSA-N 0 0 444.531 4.588 50 0 biogenic IJAARN COc1ccc(-c2nc(CN(C)Cc3ccc(OC)c4ncccc34)c(C)o2)c(OC)c1 ZINC000067869143 556847588 /nfs/dbraw/zinc/84/75/88/556847588.db2.gz YJDAWQWBHIEMEQ-UHFFFAOYSA-N 0 0 433.508 4.856 50 0 IJAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)Oc3ccc4sc(=O)oc4c3)cc12 ZINC000033069270 556850810 /nfs/dbraw/zinc/85/08/10/556850810.db2.gz JEBXMCMWRICYBK-UHFFFAOYSA-N 0 0 426.450 4.922 50 0 IJAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071263 556851653 /nfs/dbraw/zinc/85/16/53/556851653.db2.gz MKZNNWAWRGTTKK-OAHLLOKOSA-N 0 0 433.394 4.771 50 0 IJAARN O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033073138 556852551 /nfs/dbraw/zinc/85/25/51/556852551.db2.gz SJJADWKGBNMCIV-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccc(Br)cc2)c1Cl ZINC000014704474 556852950 /nfs/dbraw/zinc/85/29/50/556852950.db2.gz JDJXRWYDBCMUKP-UHFFFAOYSA-N 0 0 440.508 4.622 50 0 IJAARN Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000008941954 556853057 /nfs/dbraw/zinc/85/30/57/556853057.db2.gz CJAAKBQDLHATKG-FQEVSTJZSA-N 0 0 443.576 4.680 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089245 556857823 /nfs/dbraw/zinc/85/78/23/556857823.db2.gz QPMVKIHVQFFSTQ-HUUCEWRRSA-N 0 0 439.353 4.632 50 0 IJAARN CCCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116027 556861705 /nfs/dbraw/zinc/86/17/05/556861705.db2.gz ZYCSHAHYFRTGOB-GOSISDBHSA-N 0 0 433.552 4.899 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(CCNS(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000033126059 556866667 /nfs/dbraw/zinc/86/66/67/556866667.db2.gz FBIASLXZXYJHOY-UHFFFAOYSA-N 0 0 443.613 4.533 50 0 IJAARN COC(=O)c1ccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000033129509 556868704 /nfs/dbraw/zinc/86/87/04/556868704.db2.gz BZBFGNKQRJKPFU-UHFFFAOYSA-N 0 0 446.488 4.979 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130945 556871278 /nfs/dbraw/zinc/87/12/78/556871278.db2.gz GQTVWKKONYXVCV-UHFFFAOYSA-N 0 0 443.434 4.734 50 0 IJAARN Cc1ccc(-c2cnc(Oc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)nc2)cc1 ZINC000033139342 556874308 /nfs/dbraw/zinc/87/43/08/556874308.db2.gz ZAINEBUWWLRXCN-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019720570 556876296 /nfs/dbraw/zinc/87/62/96/556876296.db2.gz QNWPZXUJEQLBLJ-UHFFFAOYSA-N 0 0 430.335 4.915 50 0 IJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 ZINC000033142033 556877337 /nfs/dbraw/zinc/87/73/37/556877337.db2.gz NFWAPLLGLNGMOE-UHFFFAOYSA-N 0 0 436.943 4.764 50 0 IJAARN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1 ZINC000004682286 556878442 /nfs/dbraw/zinc/87/84/42/556878442.db2.gz IJHLDDYUQXGIII-UHFFFAOYSA-N 0 0 428.598 4.577 50 0 IJAARN CCc1ccc(NS(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)cc1 ZINC000033170554 556886083 /nfs/dbraw/zinc/88/60/83/556886083.db2.gz ILLSDNGBGUPAGM-RAXLEYEMSA-N 0 0 439.537 4.783 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1C ZINC000033249334 556889001 /nfs/dbraw/zinc/88/90/01/556889001.db2.gz KGZRUYVXAQAJLT-UHFFFAOYSA-N 0 0 442.968 4.964 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251064 556891714 /nfs/dbraw/zinc/89/17/14/556891714.db2.gz AHTKFSVDLYLPFS-INIZCTEOSA-N 0 0 433.430 4.631 50 0 IJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000033255137 556894869 /nfs/dbraw/zinc/89/48/69/556894869.db2.gz ICYUWMABFZFVNP-UHFFFAOYSA-N 0 0 425.488 4.517 50 0 IJAARN CCc1ccc(-c2noc(-c3cn(C)c4cc(N5CCCCC5)c(F)cc4c3=O)n2)cc1 ZINC000033255940 556895169 /nfs/dbraw/zinc/89/51/69/556895169.db2.gz KLRXUNSOIQNFQO-UHFFFAOYSA-N 0 0 432.499 4.947 50 0 IJAARN Cc1ccccc1-c1noc(-c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)n1 ZINC000033256000 556895296 /nfs/dbraw/zinc/89/52/96/556895296.db2.gz LNAQKNIIKYGXJP-UHFFFAOYSA-N 0 0 432.499 4.939 50 0 IJAARN CCOc1ccc(-c2noc(-c3cn(C)c4cc(N5CCCCC5)c(F)cc4c3=O)n2)cc1 ZINC000033255942 556895352 /nfs/dbraw/zinc/89/53/52/556895352.db2.gz QQUYOZXQNGKPLE-UHFFFAOYSA-N 0 0 448.498 4.784 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000033256985 556895508 /nfs/dbraw/zinc/89/55/08/556895508.db2.gz XTHBKRFOXGIPTM-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc(N4CCN(C(=O)NC5CCCCC5)CC4)cc3)no2)cc1 ZINC000033258297 556895977 /nfs/dbraw/zinc/89/59/77/556895977.db2.gz JQDCOOJKOQBXCF-UHFFFAOYSA-N 0 0 445.567 4.876 50 0 IJAARN CCOc1ccccc1NC(=O)c1cn(-c2ccc(-c3noc(C4CC4)n3)cc2)nc1C ZINC000033258679 556896419 /nfs/dbraw/zinc/89/64/19/556896419.db2.gz ACJSFWPJDAGZDQ-UHFFFAOYSA-N 0 0 429.480 4.759 50 0 IJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1cccc(Br)c1 ZINC000033263786 556902220 /nfs/dbraw/zinc/90/22/20/556902220.db2.gz PFZOZIQBBDKXPG-UHFFFAOYSA-N 0 0 428.334 4.673 50 0 IJAARN COc1ccc(C)cc1NC(=O)NCCCn1c(-c2ccc(F)cc2)nc2cccnc21 ZINC000033263802 556902429 /nfs/dbraw/zinc/90/24/29/556902429.db2.gz LRCKKVCBTFXBQZ-UHFFFAOYSA-N 0 0 433.487 4.766 50 0 IJAARN COc1ccc(-c2nc(CN3CCCOc4c(cccc4OC)C3)c(C)o2)c(OC)c1C ZINC000019809850 556918676 /nfs/dbraw/zinc/91/86/76/556918676.db2.gz CXJIGXSYEBLADO-UHFFFAOYSA-N 0 0 438.524 4.769 50 0 IJAARN COc1ccc(OC)c(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)c1 ZINC000019821279 556924451 /nfs/dbraw/zinc/92/44/51/556924451.db2.gz NYXHZLWYYTYMCQ-UHFFFAOYSA-N 0 0 446.894 4.679 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccco2)cc1 ZINC000019824374 556925327 /nfs/dbraw/zinc/92/53/27/556925327.db2.gz SMJJQUUXYPSCMX-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860129 556932392 /nfs/dbraw/zinc/93/23/92/556932392.db2.gz CMPFICRPHYSMQD-LJQANCHMSA-N 0 0 434.989 4.644 50 0 IJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(OC)c(OC)c2)CO1 ZINC000019882535 556937610 /nfs/dbraw/zinc/93/76/10/556937610.db2.gz BFRRPTZLPNYZIT-UHFFFAOYSA-N 0 0 443.927 4.811 50 0 biogenic IJAARN COc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCOCC2)cc1 ZINC000019897888 556940934 /nfs/dbraw/zinc/94/09/34/556940934.db2.gz LNTWFBZMJCINQC-IBGZPJMESA-N 0 0 444.984 4.675 50 0 IJAARN Cc1ccc2c(=O)cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)oc2c1 ZINC000019897795 556940993 /nfs/dbraw/zinc/94/09/93/556940993.db2.gz ZXXSAHKEAQUKLK-UHFFFAOYSA-N 0 0 438.527 4.649 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019902004 556941974 /nfs/dbraw/zinc/94/19/74/556941974.db2.gz VZAVYMXMPFLFLJ-OAQYLSRUSA-N 0 0 426.944 4.815 50 0 IJAARN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000019911728 556943277 /nfs/dbraw/zinc/94/32/77/556943277.db2.gz GYTTVMYYMSKSNN-XDHOZWIPSA-N 0 0 448.375 4.809 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264371 556973970 /nfs/dbraw/zinc/97/39/70/556973970.db2.gz KBBYILICVMYGBU-XXBNENTESA-N 0 0 437.584 4.874 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2ccc(CC)cc2)c1 ZINC000033265077 556975020 /nfs/dbraw/zinc/97/50/20/556975020.db2.gz NVDSMMYNOFSVNO-UHFFFAOYSA-N 0 0 436.581 4.695 50 0 IJAARN c1ccc(CSc2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000020057438 556975089 /nfs/dbraw/zinc/97/50/89/556975089.db2.gz HESOMXOFVYSEML-UHFFFAOYSA-N 0 0 449.605 4.642 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020113679 556986925 /nfs/dbraw/zinc/98/69/25/556986925.db2.gz BLTUFVWYQIFVPT-ZCYQVOJMSA-N 0 0 448.494 4.966 50 0 IJAARN COc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 ZINC000020113948 556987065 /nfs/dbraw/zinc/98/70/65/556987065.db2.gz AHKVVLBGXWDWHJ-UHFFFAOYSA-N 0 0 438.531 4.949 50 0 IJAARN O=C(c1noc2c1CCc1ccccc1-2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137761 556988795 /nfs/dbraw/zinc/98/87/95/556988795.db2.gz OGUFJAVITJDPMF-UHFFFAOYSA-N 0 0 449.554 4.988 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097111434 556990307 /nfs/dbraw/zinc/99/03/07/556990307.db2.gz HEGDAMDRDNWNNH-QGZVFWFLSA-N 0 0 437.297 4.541 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097112163 556990314 /nfs/dbraw/zinc/99/03/14/556990314.db2.gz UOXFCAVWBSWOKC-CQSZACIVSA-N 0 0 425.851 4.963 50 0 IJAARN COc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097124268 556990828 /nfs/dbraw/zinc/99/08/28/556990828.db2.gz VJYWOAWAINRQJR-HNNXBMFYSA-N 0 0 437.887 4.832 50 0 IJAARN CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000071976538 556993066 /nfs/dbraw/zinc/99/30/66/556993066.db2.gz PIEZNGDETKNOLY-IBGZPJMESA-N 0 0 435.351 4.876 50 0 IJAARN CC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164687 556994582 /nfs/dbraw/zinc/99/45/82/556994582.db2.gz POPRSSXUIMKIPQ-YADHBBJMSA-N 0 0 446.954 4.807 50 0 IJAARN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(F)cc1F ZINC000023074891 556995367 /nfs/dbraw/zinc/99/53/67/556995367.db2.gz AFCZMHCIGJTZSA-MRVPVSSYSA-N 0 0 448.647 4.573 50 0 IJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccnc1Sc1ccccc1Cl ZINC000023077383 556995959 /nfs/dbraw/zinc/99/59/59/556995959.db2.gz WDUITWRMNSZEME-UHFFFAOYSA-N 0 0 429.904 4.736 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cc(C)ccc2C)CC1 ZINC000020191258 556996220 /nfs/dbraw/zinc/99/62/20/556996220.db2.gz HIUMUKPDKVGIJM-UHFFFAOYSA-N 0 0 426.568 4.606 50 0 IJAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)ccc1F ZINC000020255617 557003788 /nfs/dbraw/zinc/00/37/88/557003788.db2.gz MUJAWZCGENEQDV-HSZRJFAPSA-N 0 0 434.540 4.975 50 0 IJAARN CN(C)c1nc(Cl)c(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000020325926 557008084 /nfs/dbraw/zinc/00/80/84/557008084.db2.gz ZMPFNCYETVLFLX-CYBMUJFWSA-N 0 0 431.911 4.976 50 0 IJAARN COc1ccccc1CCN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000020412284 557014111 /nfs/dbraw/zinc/01/41/11/557014111.db2.gz CHHAEPBWOGZFAD-UHFFFAOYSA-N 0 0 425.912 4.728 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)N3CCCc4ccccc43)cc(C)c12 ZINC000045990905 557016786 /nfs/dbraw/zinc/01/67/86/557016786.db2.gz PGWDOGHUYPTECT-UHFFFAOYSA-N 0 0 426.520 4.704 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N(CC)CC)cc3C(F)(F)F)cc1 ZINC000045991317 557016976 /nfs/dbraw/zinc/01/69/76/557016976.db2.gz KEVRKJHHAUCSNH-UHFFFAOYSA-N 0 0 434.462 4.557 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000045991733 557017285 /nfs/dbraw/zinc/01/72/85/557017285.db2.gz KPOQZFVYBQTYLS-GOSISDBHSA-N 0 0 430.508 4.842 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)NCCc1ccccc1)cc2-c1ccccc1 ZINC000045992353 557017967 /nfs/dbraw/zinc/01/79/67/557017967.db2.gz PCUCRDCPPDKEHT-IBGZPJMESA-N 0 0 428.536 4.553 50 0 IJAARN Cc1ccccc1C(=O)NCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010696978 557018894 /nfs/dbraw/zinc/01/88/94/557018894.db2.gz WXCIWCQINGYTRO-QHCPKHFHSA-N 0 0 425.532 4.545 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(N(C)C)cc3)nn2-c2ccccc2Cl)cc1 ZINC000046012634 557019108 /nfs/dbraw/zinc/01/91/08/557019108.db2.gz VDSQEBBZFMQFHC-UHFFFAOYSA-N 0 0 447.926 4.915 50 0 IJAARN Cc1ccc(NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1 ZINC000046017198 557020403 /nfs/dbraw/zinc/02/04/03/557020403.db2.gz NSUHOOSOQAZJMH-UHFFFAOYSA-N 0 0 440.425 4.980 50 0 IJAARN Cc1cccc(NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)c1 ZINC000046017201 557020471 /nfs/dbraw/zinc/02/04/71/557020471.db2.gz QVEDYSWXIIWTHM-UHFFFAOYSA-N 0 0 440.425 4.980 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(N5CCCC5=O)cc4)c(=O)c23)s1 ZINC000010758731 557024690 /nfs/dbraw/zinc/02/46/90/557024690.db2.gz FTAWYNHRYDDEHR-UHFFFAOYSA-N 0 0 449.557 4.505 50 0 IJAARN CCc1nn2c(nc(CN(Cc3ccc(OC)cc3)c3ccc(Cl)cc3)cc2=O)s1 ZINC000046032437 557025125 /nfs/dbraw/zinc/02/51/25/557025125.db2.gz CICKICNRCFBXKZ-UHFFFAOYSA-N 0 0 440.956 4.582 50 0 IJAARN Cc1ccc(OCC(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)cc1C ZINC000072275302 557027982 /nfs/dbraw/zinc/02/79/82/557027982.db2.gz VFCZPFABKYMWLU-UHFFFAOYSA-N 0 0 430.548 4.660 50 0 IJAARN CCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058753 557029505 /nfs/dbraw/zinc/02/95/05/557029505.db2.gz IDTFSFYLNSZNLP-UHFFFAOYSA-N 0 0 436.986 4.910 50 0 IJAARN CN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000046058765 557029795 /nfs/dbraw/zinc/02/97/95/557029795.db2.gz DQYWIFFJCYSJBK-UHFFFAOYSA-N 0 0 436.986 4.908 50 0 IJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077512 557033247 /nfs/dbraw/zinc/03/32/47/557033247.db2.gz ZQQPURFTUVKTGU-UHFFFAOYSA-N 0 0 432.860 4.662 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078738 557033844 /nfs/dbraw/zinc/03/38/44/557033844.db2.gz WVDHZMUTKVAGIJ-UHFFFAOYSA-N 0 0 427.504 4.799 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079624 557034622 /nfs/dbraw/zinc/03/46/22/557034622.db2.gz IGUCGRQAMFQRNC-UHFFFAOYSA-N 0 0 447.466 4.639 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 ZINC000046123139 557036910 /nfs/dbraw/zinc/03/69/10/557036910.db2.gz NYXPZBQOOUWWFC-AWEZNQCLSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)s1 ZINC000046123401 557037193 /nfs/dbraw/zinc/03/71/93/557037193.db2.gz NLYHLBDXNSUVBL-OAHLLOKOSA-N 0 0 432.977 4.730 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc(OCC)c1OCC ZINC000017247975 557042048 /nfs/dbraw/zinc/04/20/48/557042048.db2.gz UYFKAXSGVBQGAS-UHFFFAOYSA-N 0 0 427.526 4.962 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182695 557044175 /nfs/dbraw/zinc/04/41/75/557044175.db2.gz JMUYSAXUESGRJN-JPYJTQIMSA-N 0 0 438.572 4.961 50 0 IJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000048235785 557046848 /nfs/dbraw/zinc/04/68/48/557046848.db2.gz RVXRRWVEFBYQHE-UHFFFAOYSA-N 0 0 441.528 4.777 50 0 IJAARN CCCCn1nc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c2ccccc2c1=O ZINC000048236708 557047533 /nfs/dbraw/zinc/04/75/33/557047533.db2.gz JJMGHUXTWACLRV-SFHVURJKSA-N 0 0 427.957 4.817 50 0 IJAARN CCCn1nc(C(=O)N(Cc2ccccc2)c2nc3cc(C)cc(C)c3s2)ccc1=O ZINC000022924589 557048145 /nfs/dbraw/zinc/04/81/45/557048145.db2.gz RBFCEXLKARDDFK-UHFFFAOYSA-N 0 0 432.549 4.727 50 0 IJAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 ZINC000017270279 557048625 /nfs/dbraw/zinc/04/86/25/557048625.db2.gz MGRDICCOFUYFMB-UHFFFAOYSA-N 0 0 431.583 4.668 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCCC)nn3)c2)cc1 ZINC000017271053 557048891 /nfs/dbraw/zinc/04/88/91/557048891.db2.gz CYDMYQZPIHUYRR-UHFFFAOYSA-N 0 0 441.553 4.912 50 0 IJAARN COC(=O)c1cccc2c3c([nH]c21)CCN(C(=O)CCc1cccc(Cl)c1Cl)C3 ZINC000048231226 557048967 /nfs/dbraw/zinc/04/89/67/557048967.db2.gz UYXHPTXHFCLFMR-UHFFFAOYSA-N 0 0 431.319 4.779 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c(OC)c1 ZINC000033271534 557049512 /nfs/dbraw/zinc/04/95/12/557049512.db2.gz TYSJUJVWJQGWCJ-INIZCTEOSA-N 0 0 434.521 4.590 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 ZINC000048264012 557050555 /nfs/dbraw/zinc/05/05/55/557050555.db2.gz OSXSWKJDTYHVFS-XMMPIXPASA-N 0 0 437.503 4.793 50 0 IJAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccc(F)cc1)N1CCN(c2ccccn2)CC1 ZINC000033275339 557053819 /nfs/dbraw/zinc/05/38/19/557053819.db2.gz XXJKCGVUWOXHOP-UHFFFAOYSA-N 0 0 446.551 4.745 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)NCCc2ccccc2)cc1 ZINC000033275971 557055174 /nfs/dbraw/zinc/05/51/74/557055174.db2.gz ADPGWVHTXRVEGS-UHFFFAOYSA-N 0 0 432.553 4.511 50 0 IJAARN O=C(c1ccccc1F)N1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000023004711 557057119 /nfs/dbraw/zinc/05/71/19/557057119.db2.gz HOUOQVPJBLHJFS-UHFFFAOYSA-N 0 0 449.473 4.926 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Oc2ccccc2Br)cc1 ZINC000023042815 557059372 /nfs/dbraw/zinc/05/93/72/557059372.db2.gz HYGPUSJTGDCJME-HOTGVXAUSA-N 0 0 446.341 4.837 50 0 IJAARN CCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278204 557060137 /nfs/dbraw/zinc/06/01/37/557060137.db2.gz PFAFTIXQVXBVFO-UHFFFAOYSA-N 0 0 426.519 4.817 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(-n2ccnc2)nc1 ZINC000023055191 557060400 /nfs/dbraw/zinc/06/04/00/557060400.db2.gz OTBBZSWJRJHNTB-UHFFFAOYSA-N 0 0 429.427 4.586 50 0 IJAARN O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000033279009 557061094 /nfs/dbraw/zinc/06/10/94/557061094.db2.gz KHBPMPOCKHZTRU-UHFFFAOYSA-N 0 0 442.494 4.501 50 0 IJAARN COc1ccc(CN(Cc2ccccc2)C(=O)CSCC(=O)Nc2cccc(C)c2)cc1 ZINC000048299614 557061634 /nfs/dbraw/zinc/06/16/34/557061634.db2.gz NHKXMDRUXZJOKB-UHFFFAOYSA-N 0 0 448.588 4.904 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000048300110 557062059 /nfs/dbraw/zinc/06/20/59/557062059.db2.gz RSKNVOKTCZUVMK-UHFFFAOYSA-N 0 0 430.483 4.812 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)cc4C)n3c2)c1 ZINC000033284283 557063540 /nfs/dbraw/zinc/06/35/40/557063540.db2.gz KCYZHTSUVLSOEW-UHFFFAOYSA-N 0 0 445.548 4.638 50 0 IJAARN CC(=O)NC1(c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)CCCCCC1 ZINC000048302647 557064050 /nfs/dbraw/zinc/06/40/50/557064050.db2.gz XFJBVVOVRYJYRY-UHFFFAOYSA-N 0 0 439.343 4.633 50 0 IJAARN O=c1[nH]c(SCc2cccc(Br)c2)nc2c1CN(Cc1ccccc1)CC2 ZINC000033287241 557064191 /nfs/dbraw/zinc/06/41/91/557064191.db2.gz GFJHGYFHINTNFE-UHFFFAOYSA-N 0 0 442.382 4.795 50 0 IJAARN COc1ccc(CN2CCc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c3C2)cc1 ZINC000033287261 557064208 /nfs/dbraw/zinc/06/42/08/557064208.db2.gz PADGNEZIIFICEY-UHFFFAOYSA-N 0 0 427.957 4.695 50 0 IJAARN Cc1nc(/C=C/C(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cs1 ZINC000048324220 557065084 /nfs/dbraw/zinc/06/50/84/557065084.db2.gz QDFNRKKMDNGBGB-MDZDMXLPSA-N 0 0 428.355 4.851 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H]1c1nccs1 ZINC000023146066 557068212 /nfs/dbraw/zinc/06/82/12/557068212.db2.gz IMCQQKBIVSFNHM-BWKNWUBXSA-N 0 0 433.577 4.632 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)c1 ZINC000033289813 557071587 /nfs/dbraw/zinc/07/15/87/557071587.db2.gz HZCSIVRAMUMMRZ-LJQANCHMSA-N 0 0 432.524 4.722 50 0 IJAARN COc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000033293583 557076326 /nfs/dbraw/zinc/07/63/26/557076326.db2.gz BGITXOZEVRZQHQ-BKUYFWCQSA-N 0 0 432.501 4.832 50 0 IJAARN O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccc(F)cc1 ZINC000033293517 557076368 /nfs/dbraw/zinc/07/63/68/557076368.db2.gz CEMQLQRUDHRPDM-OMCISZLKSA-N 0 0 436.258 4.553 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)N(C)C3CCC(C)CC3)s2)cc1 ZINC000023274291 557081377 /nfs/dbraw/zinc/08/13/77/557081377.db2.gz JGHMUYSSKFBDFX-UHFFFAOYSA-N 0 0 437.656 4.968 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(=O)OC)cc1 ZINC000049005099 557084229 /nfs/dbraw/zinc/08/42/29/557084229.db2.gz RQDAANAEXJUSSS-IBGZPJMESA-N 0 0 432.524 4.873 50 0 IJAARN Cc1nc(-c2ccc3c(c2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)n3C(C)C)no1 ZINC000033306839 557084726 /nfs/dbraw/zinc/08/47/26/557084726.db2.gz ZSPLRJJMEIKDKP-UHFFFAOYSA-N 0 0 433.512 4.504 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000010904916 557087033 /nfs/dbraw/zinc/08/70/33/557087033.db2.gz VOOPZQPWRQGIFS-UHFFFAOYSA-N 0 0 434.540 4.825 50 0 IJAARN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)n3c4ccccc4nc32)cc1 ZINC000023382084 557089162 /nfs/dbraw/zinc/08/91/62/557089162.db2.gz RTALGDVRIZNABG-JOCHJYFZSA-N 0 0 428.467 4.601 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000023384823 557090371 /nfs/dbraw/zinc/09/03/71/557090371.db2.gz IHTYZLVBHRRQHU-QHCPKHFHSA-N 0 0 441.453 4.715 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011328178 557090961 /nfs/dbraw/zinc/09/09/61/557090961.db2.gz NXPHZFSIEUUBBA-UHFFFAOYSA-N 0 0 435.349 4.524 50 0 IJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000011328102 557091077 /nfs/dbraw/zinc/09/10/77/557091077.db2.gz HOCUTNLLTNDIIM-UHFFFAOYSA-N 0 0 431.467 4.653 50 0 IJAARN CCOc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 ZINC000011329082 557091244 /nfs/dbraw/zinc/09/12/44/557091244.db2.gz IPBCPQFZOFEZOY-UHFFFAOYSA-N 0 0 448.479 4.761 50 0 IJAARN O=C(NC1CC1)c1ccccc1OCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000033310422 557093249 /nfs/dbraw/zinc/09/32/49/557093249.db2.gz JJZBSLVENULSMF-UHFFFAOYSA-N 0 0 446.469 4.529 50 0 IJAARN C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2s1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049059710 557093500 /nfs/dbraw/zinc/09/35/00/557093500.db2.gz ULRRLGDMMVAQBZ-NSHDSACASA-N 0 0 428.876 4.512 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1 ZINC000033310288 557094023 /nfs/dbraw/zinc/09/40/23/557094023.db2.gz HOOGYKVQXHLWCE-UHFFFAOYSA-N 0 0 426.314 4.594 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)N1CCCCC1 ZINC000033311050 557094496 /nfs/dbraw/zinc/09/44/96/557094496.db2.gz AHWUZOWOBFQRSS-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)c1)N1CCCCC1 ZINC000033311100 557094875 /nfs/dbraw/zinc/09/48/75/557094875.db2.gz KSFKXNZVTAUYPJ-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN CSc1cccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)c1 ZINC000049401292 557097062 /nfs/dbraw/zinc/09/70/62/557097062.db2.gz WEUONKWPWZVDKH-UHFFFAOYSA-N 0 0 434.521 4.536 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(CC)cc3)cccn12 ZINC000049405037 557100149 /nfs/dbraw/zinc/10/01/49/557100149.db2.gz ZEYGJHFBNQFJIH-UHFFFAOYSA-N 0 0 434.565 4.558 50 0 IJAARN O=C(CSc1cc(-c2nc(C3CC3)no2)ccn1)Nc1ccc(Br)cc1 ZINC000049405447 557100704 /nfs/dbraw/zinc/10/07/04/557100704.db2.gz GWRNWQZUQHHEIJ-UHFFFAOYSA-N 0 0 431.315 4.502 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5cc(Cl)ccc54)C3)cc2)cc1 ZINC000033320609 557103776 /nfs/dbraw/zinc/10/37/76/557103776.db2.gz ROWAEDODSZTQMF-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)s2)c1 ZINC000023699052 557107232 /nfs/dbraw/zinc/10/72/32/557107232.db2.gz DMOWHZLNKNSSMW-INIZCTEOSA-N 0 0 426.494 4.588 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)nn2c1C ZINC000086069594 557108026 /nfs/dbraw/zinc/10/80/26/557108026.db2.gz XTNWDGDWJIAXJW-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN COc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)C3CCCCC3)cc2)cn1 ZINC000049421811 557108604 /nfs/dbraw/zinc/10/86/04/557108604.db2.gz MHPDOHWYOPADED-UHFFFAOYSA-N 0 0 432.524 4.711 50 0 IJAARN Cc1nn([C@@H](C)c2nn3c(nnc3-c3cc(F)ccc3Cl)s2)cc1Br ZINC000049546978 557112172 /nfs/dbraw/zinc/11/21/72/557112172.db2.gz RLARICWCUZWPBJ-QMMMGPOBSA-N 0 0 441.717 4.522 50 0 IJAARN CN(C(=O)C(F)(F)F)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000585152208 557112222 /nfs/dbraw/zinc/11/22/22/557112222.db2.gz AVHAULATQDDKOH-UHFFFAOYSA-N 0 0 440.834 4.636 50 0 IJAARN Cc1c(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cnn1-c1ccccc1 ZINC000049509514 557114107 /nfs/dbraw/zinc/11/41/07/557114107.db2.gz GQNNMVVYURDUNX-UHFFFAOYSA-N 0 0 428.517 4.697 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1 ZINC000000683073 557114821 /nfs/dbraw/zinc/11/48/21/557114821.db2.gz WJCFOUTWGDSWJV-UHFFFAOYSA-N 0 0 427.092 4.641 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1C1CC1)Nc1cccc(Cl)c1Cl ZINC000011370030 557114962 /nfs/dbraw/zinc/11/49/62/557114962.db2.gz PEOCZCUXBPFPCL-UHFFFAOYSA-N 0 0 426.373 4.641 50 0 IJAARN O=C(COc1ccc(Br)cc1F)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000023223197 557116094 /nfs/dbraw/zinc/11/60/94/557116094.db2.gz MJKJHXDDWPDLME-HNNXBMFYSA-N 0 0 433.233 4.531 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000033331864 557116366 /nfs/dbraw/zinc/11/63/66/557116366.db2.gz QPQZPVARHXZMBW-RUZDIDTESA-N 0 0 435.524 4.501 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000014898928 557118796 /nfs/dbraw/zinc/11/87/96/557118796.db2.gz BECODKCTVIAYBY-UHFFFAOYSA-N 0 0 445.441 4.687 50 0 IJAARN CC(C)Cn1cc(C(=O)NCc2ccc(F)cc2Cl)c2c3ccccc3n(C)c2c1=O ZINC000004789058 557119902 /nfs/dbraw/zinc/11/99/02/557119902.db2.gz SSAGTODLXMMHFW-UHFFFAOYSA-N 0 0 439.918 4.872 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000000644905 557124235 /nfs/dbraw/zinc/12/42/35/557124235.db2.gz CLFATALIMZCDPW-UHFFFAOYSA-N 0 0 447.365 4.791 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000017823320 557124472 /nfs/dbraw/zinc/12/44/72/557124472.db2.gz FNHXWHPUKWAIMK-FQEVSTJZSA-N 0 0 436.515 4.788 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)cc1OC ZINC000018466982 557124567 /nfs/dbraw/zinc/12/45/67/557124567.db2.gz NATUCOBMOBJWNP-NSHDSACASA-N 0 0 434.518 4.557 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000017880108 557127180 /nfs/dbraw/zinc/12/71/80/557127180.db2.gz ZQDXJMZIPJEGOD-UHFFFAOYSA-N 0 0 432.933 4.583 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000102644484 557129524 /nfs/dbraw/zinc/12/95/24/557129524.db2.gz YTCLHUBKKIDIGF-VMDGZTHMSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1ccc2nc(N=NCc3cc4c(cc3[N+](=O)[O-])OCO4)nc(-c3ccccc3)c2c1 ZINC000245267432 557129622 /nfs/dbraw/zinc/12/96/22/557129622.db2.gz LRVWQASSZBQRHY-UHFFFAOYSA-N 0 0 427.420 4.688 50 0 IJAARN C[C@H]1CCc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3c(C(F)(F)F)c2C1 ZINC000000663994 557131478 /nfs/dbraw/zinc/13/14/78/557131478.db2.gz RQQYDRZXCGNLDD-LBPRGKRZSA-N 0 0 433.499 4.995 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000024041369 557133263 /nfs/dbraw/zinc/13/32/63/557133263.db2.gz MMGSMJIXNAVRAB-JOCHJYFZSA-N 0 0 432.520 4.984 50 0 IJAARN COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(SC)c4)n3C)oc21 ZINC000002860681 557133791 /nfs/dbraw/zinc/13/37/91/557133791.db2.gz JJIJMPOEMVGLKM-UHFFFAOYSA-N 0 0 440.550 4.690 50 0 IJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000024050559 557134145 /nfs/dbraw/zinc/13/41/45/557134145.db2.gz AKNFKQZSDAMNMC-UHFFFAOYSA-N 0 0 437.478 4.794 50 0 IJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(c2ccccc2Cl)CC1 ZINC000011406017 557142203 /nfs/dbraw/zinc/14/22/03/557142203.db2.gz KVMQSJCWTDUQMT-UHFFFAOYSA-N 0 0 431.870 4.555 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000024274228 557142726 /nfs/dbraw/zinc/14/27/26/557142726.db2.gz GZQKVWDVVNNDMU-UHFFFAOYSA-N 0 0 439.484 4.979 50 0 IJAARN COc1cc(CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C2CC2)ccc1OC(F)F ZINC000024276926 557143009 /nfs/dbraw/zinc/14/30/09/557143009.db2.gz VJXYUOSLYAXEHX-LBPRGKRZSA-N 0 0 448.491 4.534 50 0 IJAARN CCOc1cc(CN(C(=O)c2cccc(N3CCCC3=O)c2)C2CC2)ccc1OC(F)F ZINC000024311080 557143939 /nfs/dbraw/zinc/14/39/39/557143939.db2.gz ASWHUWOMYPVZJN-UHFFFAOYSA-N 0 0 444.478 4.618 50 0 IJAARN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 ZINC000000718804 557148890 /nfs/dbraw/zinc/14/88/90/557148890.db2.gz ICYBSDNSHIZPAH-UHFFFAOYSA-N 0 0 441.788 4.935 50 0 IJAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1n[nH]c(Cc2ccccc2)n1 ZINC000016425471 557151477 /nfs/dbraw/zinc/15/14/77/557151477.db2.gz SMJUHHYKBLRYRK-UHFFFAOYSA-N 0 0 442.089 4.810 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1nnc(SCc2ccccc2F)s1 ZINC000024616304 557156120 /nfs/dbraw/zinc/15/61/20/557156120.db2.gz KQKVVAAXADJBMF-UHFFFAOYSA-N 0 0 432.527 4.867 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000024630844 557156686 /nfs/dbraw/zinc/15/66/86/557156686.db2.gz SMNDLDGDUWWZTR-UHFFFAOYSA-N 0 0 434.536 4.734 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000024637953 557156968 /nfs/dbraw/zinc/15/69/68/557156968.db2.gz LDWQDDAMALRTAH-JOCHJYFZSA-N 0 0 435.911 4.798 50 0 IJAARN CCOC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000024715958 557160455 /nfs/dbraw/zinc/16/04/55/557160455.db2.gz WIEKXUKYIRNFLP-UHFFFAOYSA-N 0 0 431.536 4.653 50 0 IJAARN Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Cl ZINC000095929309 557161780 /nfs/dbraw/zinc/16/17/80/557161780.db2.gz VHRLQHUMNVKTDK-JOCHJYFZSA-N 0 0 432.911 4.610 50 0 IJAARN COc1cccc(CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000024751231 557162644 /nfs/dbraw/zinc/16/26/44/557162644.db2.gz ZIUZDGFVWSPDPQ-UHFFFAOYSA-N 0 0 444.940 4.639 50 0 IJAARN O=C(OC[C@H]1CO[C@](Br)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000096034744 557163507 /nfs/dbraw/zinc/16/35/07/557163507.db2.gz DAMDRNVINBXSOD-SUMWQHHRSA-N 0 0 432.097 4.771 50 0 IJAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000000755208 557169972 /nfs/dbraw/zinc/16/99/72/557169972.db2.gz CQHABJQLTWKLDJ-UHFFFAOYSA-N 0 0 432.134 4.898 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000024832972 557171190 /nfs/dbraw/zinc/17/11/90/557171190.db2.gz CMTSNJWNPWJYKV-UHFFFAOYSA-N 0 0 449.359 5.000 50 0 IJAARN O=C(c1c[nH]c2ccc(Br)cc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000025050132 557191252 /nfs/dbraw/zinc/19/12/52/557191252.db2.gz WVPYQRXOFAFDKO-SFHVURJKSA-N 0 0 427.298 4.679 50 0 IJAARN OCCCc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Br)cc1)=N2 ZINC000100869041 557193531 /nfs/dbraw/zinc/19/35/31/557193531.db2.gz KLAYNYOIQCPFBP-GOSISDBHSA-N 0 0 445.748 4.675 50 0 IJAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1 ZINC000100873175 557196225 /nfs/dbraw/zinc/19/62/25/557196225.db2.gz VAFAFPUIUNHAMZ-IZHYLOQSSA-N 0 0 434.517 4.891 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000010972369 557197750 /nfs/dbraw/zinc/19/77/50/557197750.db2.gz GQTACSLLORGGPB-INIZCTEOSA-N 0 0 449.454 4.589 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CC(C)(C)C)CN(c1ccc(Cl)nc1)CC2 ZINC000023306493 557199851 /nfs/dbraw/zinc/19/98/51/557199851.db2.gz ZDSXFYHFYVYVFI-UHFFFAOYSA-N 0 0 435.977 4.911 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cccc(OCc2csc(C)n2)c1 ZINC000025276562 557202147 /nfs/dbraw/zinc/20/21/47/557202147.db2.gz LYBMTDKHMCEYJN-UHFFFAOYSA-N 0 0 438.509 4.726 50 0 IJAARN O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000025329364 557204512 /nfs/dbraw/zinc/20/45/12/557204512.db2.gz LHRIVSFQXKAOOV-QHCPKHFHSA-N 0 0 436.983 4.629 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000011612763 557208926 /nfs/dbraw/zinc/20/89/26/557208926.db2.gz AAXQSYASRVJFIV-GOSISDBHSA-N 0 0 440.487 4.586 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3c([nH]2)c(C)c(C)cc3C)cc1OCC ZINC000025438549 557209686 /nfs/dbraw/zinc/20/96/86/557209686.db2.gz BQKTXHWCZYCYJE-UHFFFAOYSA-N 0 0 437.540 4.601 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(Cc3ccccc3)[C@H](C)C3CC3)o2)s1 ZINC000025459587 557211266 /nfs/dbraw/zinc/21/12/66/557211266.db2.gz QMONVZALHMDXJQ-CQSZACIVSA-N 0 0 428.583 4.729 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2ncccn2)cc1 ZINC000000797113 557212069 /nfs/dbraw/zinc/21/20/69/557212069.db2.gz OITMRGUQXMGHLC-FCHUYYIVSA-N 0 0 433.558 4.805 50 0 aggregator IJAARN CCN1c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097138014 557212292 /nfs/dbraw/zinc/21/22/92/557212292.db2.gz SMXCUAFHUFFOBI-FQEVSTJZSA-N 0 0 442.357 4.802 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000025545182 557213833 /nfs/dbraw/zinc/21/38/33/557213833.db2.gz KBFBMEMPIYCRCH-UHFFFAOYSA-N 0 0 438.325 4.774 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 ZINC000025576790 557215578 /nfs/dbraw/zinc/21/55/78/557215578.db2.gz SKSPUQUIWLYCRK-FQEVSTJZSA-N 0 0 442.972 4.694 50 0 IJAARN CCN(C(=O)CSc1nnc(Cc2ccc(OC)cc2)o1)c1cccc2ccccc21 ZINC000011649874 557219489 /nfs/dbraw/zinc/21/94/89/557219489.db2.gz LTUGAFXSWXYPBG-UHFFFAOYSA-N 0 0 433.533 4.967 50 0 IJAARN COC(=O)c1nc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n(Cc2ccccc2)c1C ZINC000218912830 557220595 /nfs/dbraw/zinc/22/05/95/557220595.db2.gz NLXYYZRZZVHURT-NRFANRHFSA-N 0 0 449.551 4.835 50 0 IJAARN COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc4ccccc4o3)nc21 ZINC000010587829 557223408 /nfs/dbraw/zinc/22/34/08/557223408.db2.gz ZSFJEMZKJKKHQT-HNNXBMFYSA-N 0 0 438.505 4.886 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812340 557224974 /nfs/dbraw/zinc/22/49/74/557224974.db2.gz VEXVRBJOBXYMST-KRWDZBQOSA-N 0 0 434.970 4.737 50 0 IJAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc(OC(C)C)n1 ZINC000011613297 557230566 /nfs/dbraw/zinc/23/05/66/557230566.db2.gz UTPBQLFGJFDGDL-UHFFFAOYSA-N 0 0 432.933 4.770 50 0 IJAARN COc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)cc1OC ZINC000098086941 557233571 /nfs/dbraw/zinc/23/35/71/557233571.db2.gz GQPXLOGOBUZUAW-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1cc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1Cl ZINC000098211278 557234610 /nfs/dbraw/zinc/23/46/10/557234610.db2.gz HQXYCIZVKPHKJT-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN CCc1ccccc1-n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000026113991 557234881 /nfs/dbraw/zinc/23/48/81/557234881.db2.gz MUADKQFVXMWCRC-UHFFFAOYSA-N 0 0 443.528 4.648 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3Cl)n2)cc1F ZINC000098211450 557234946 /nfs/dbraw/zinc/23/49/46/557234946.db2.gz VESJPDHPNHCBEC-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN O=C(Nc1ccc(Br)cc1Br)c1cccc(N2CCCC2=O)c1 ZINC000018079327 557235295 /nfs/dbraw/zinc/23/52/95/557235295.db2.gz KSEZENADBLTGIO-UHFFFAOYSA-N 0 0 438.119 4.591 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000018079930 557235374 /nfs/dbraw/zinc/23/53/74/557235374.db2.gz UXLVDNHFYKEZHL-UHFFFAOYSA-N 0 0 438.597 4.962 50 0 IJAARN Cc1ccc(OCc2nc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)cs2)cc1 ZINC000018184792 557246687 /nfs/dbraw/zinc/24/66/87/557246687.db2.gz OZUBQNDOVULNEX-UHFFFAOYSA-N 0 0 435.549 4.955 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)Nc3ccccc3OCC)sc2=S)cc1 ZINC000032952283 557249730 /nfs/dbraw/zinc/24/97/30/557249730.db2.gz PWJRQHUSIPFDHE-UHFFFAOYSA-N 0 0 443.550 4.678 50 0 IJAARN CCc1cccc(CC)c1-n1c(N)c(C(=O)NCc2ccc(OC)cc2)sc1=S ZINC000032952346 557249754 /nfs/dbraw/zinc/24/97/54/557249754.db2.gz IWLLUHZGGFICFY-UHFFFAOYSA-N 0 0 427.595 4.914 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000018204668 557251064 /nfs/dbraw/zinc/25/10/64/557251064.db2.gz DMQDNVYWFDKCEO-GOSISDBHSA-N 0 0 446.547 4.587 50 0 IJAARN COc1ccccc1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000005688288 557251413 /nfs/dbraw/zinc/25/14/13/557251413.db2.gz HYVDZFKEKMWRRR-HSZRJFAPSA-N 0 0 427.548 4.733 50 0 IJAARN O=C(COc1ccccc1F)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000026964789 557252908 /nfs/dbraw/zinc/25/29/08/557252908.db2.gz NWXBETBZRGAEBQ-UHFFFAOYSA-N 0 0 443.481 4.874 50 0 IJAARN O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000101095115 557253971 /nfs/dbraw/zinc/25/39/71/557253971.db2.gz BTIDTBXGRIZEBN-UHFFFAOYSA-N 0 0 432.929 4.992 50 0 IJAARN CCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 ZINC000027023173 557255565 /nfs/dbraw/zinc/25/55/65/557255565.db2.gz CYMYONSKQMZCJR-PXSLEKJFSA-N 0 0 435.524 4.577 50 0 IJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)s2)c1C ZINC000027029134 557255853 /nfs/dbraw/zinc/25/58/53/557255853.db2.gz SLUUIVWHXMDZSU-QGZVFWFLSA-N 0 0 426.567 4.631 50 0 IJAARN CCC1CCC(N(C(=O)Cc2nc3nc(C)cc(C)n3n2)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072269945 557262177 /nfs/dbraw/zinc/26/21/77/557262177.db2.gz KSKVQOUMWXGESH-PGFLUOATSA-N 0 0 437.563 4.981 50 0 IJAARN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101182152 557262644 /nfs/dbraw/zinc/26/26/44/557262644.db2.gz WETDZGATNOLJMJ-BDTNDASRSA-N 0 0 434.492 4.599 50 0 IJAARN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(OCC(C)C)c(Cl)c3)C2=O)c1 ZINC000072271418 557263225 /nfs/dbraw/zinc/26/32/25/557263225.db2.gz BNTCZYMRXHSJPP-IBGZPJMESA-N 0 0 443.931 4.527 50 0 IJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(OCc2ccncc2)cc1 ZINC000027585540 557266797 /nfs/dbraw/zinc/26/67/97/557266797.db2.gz PVSIQIRBMLJUAN-UHFFFAOYSA-N 0 0 430.426 4.670 50 0 IJAARN O=C(c1ccc(I)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000013001818 557267877 /nfs/dbraw/zinc/26/78/77/557267877.db2.gz BNBDWVDTBLASLX-UHFFFAOYSA-N 0 0 448.329 4.921 50 0 IJAARN COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)cc1OC ZINC000027662007 557268614 /nfs/dbraw/zinc/26/86/14/557268614.db2.gz XPQQXQLZEQBQNB-UHFFFAOYSA-N 0 0 426.900 4.673 50 0 IJAARN CC(C)CC(=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027664085 557269922 /nfs/dbraw/zinc/26/99/22/557269922.db2.gz XQFDUDMUECHCGA-KRWDZBQOSA-N 0 0 443.487 4.527 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3nc(SCC)ncc3Br)sc2c1 ZINC000027742633 557272257 /nfs/dbraw/zinc/27/22/57/557272257.db2.gz WSJWLASAQAMTRC-UHFFFAOYSA-N 0 0 439.360 4.612 50 0 IJAARN CCCSc1ncc(Br)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1 ZINC000027794794 557274687 /nfs/dbraw/zinc/27/46/87/557274687.db2.gz OAOAOXWSVMZJOP-UHFFFAOYSA-N 0 0 439.360 4.612 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000100744334 557275313 /nfs/dbraw/zinc/27/53/13/557275313.db2.gz AHBMUDLOQLFHKT-UPRAQXHNSA-N 0 0 442.309 4.594 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@H]1c1ccc(C)cc1C ZINC000101368255 557277942 /nfs/dbraw/zinc/27/79/42/557277942.db2.gz VSDBFIYBKASYAF-AOMKIAJQSA-N 0 0 441.597 4.746 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccccc3C)N12 ZINC000101385945 557281878 /nfs/dbraw/zinc/28/18/78/557281878.db2.gz FLJKLWMMCFLMTK-OPAMFIHVSA-N 0 0 441.597 4.826 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(F)cc2OC)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101625643 557292960 /nfs/dbraw/zinc/29/29/60/557292960.db2.gz CAOGRFFEHDYBJY-KRWDZBQOSA-N 0 0 428.847 4.662 50 0 IJAARN O=C([C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000014071124 557297653 /nfs/dbraw/zinc/29/76/53/557297653.db2.gz BMBYMRZGUHQQTG-FQEVSTJZSA-N 0 0 447.585 4.903 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000013146268 557299517 /nfs/dbraw/zinc/29/95/17/557299517.db2.gz VUYXMUJTEYLOTI-UHFFFAOYSA-N 0 0 439.489 4.739 50 0 IJAARN COc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(C)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101835562 557301997 /nfs/dbraw/zinc/30/19/97/557301997.db2.gz IIVBMGJMHRJDNI-QHCPKHFHSA-N 0 0 437.503 4.903 50 0 IJAARN CCCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000014093134 557302123 /nfs/dbraw/zinc/30/21/23/557302123.db2.gz FZSZDGROEHVULX-HZPDHXFCSA-N 0 0 427.545 4.694 50 0 IJAARN CCCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000014093131 557302152 /nfs/dbraw/zinc/30/21/52/557302152.db2.gz FZSZDGROEHVULX-HOTGVXAUSA-N 0 0 427.545 4.694 50 0 IJAARN Cc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c1Cc1ccccc1 ZINC000014095895 557302817 /nfs/dbraw/zinc/30/28/17/557302817.db2.gz VDIZZCWSDJOYFR-OAQYLSRUSA-N 0 0 449.576 4.536 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(C)c3)C(=O)C2)cc1 ZINC000101880560 557304683 /nfs/dbraw/zinc/30/46/83/557304683.db2.gz PHGMXOAAUOGIJW-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN CCOc1ccccc1NC(=O)CN1c2ncccc2N=C(c2ccc(CC)cc2)CC1=O ZINC000101880746 557304942 /nfs/dbraw/zinc/30/49/42/557304942.db2.gz ALYHUCTVWMXVKY-UHFFFAOYSA-N 0 0 442.519 4.539 50 0 IJAARN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101881990 557305694 /nfs/dbraw/zinc/30/56/94/557305694.db2.gz MGVSFVKDLDXSKM-UHFFFAOYSA-N 0 0 438.409 4.597 50 0 IJAARN Cc1ccc(CNC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947840 557308604 /nfs/dbraw/zinc/30/86/04/557308604.db2.gz VKKBFPRVQGZURY-UHFFFAOYSA-N 0 0 431.561 4.847 50 0 IJAARN COC(=O)c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 ZINC000102157055 557313735 /nfs/dbraw/zinc/31/37/35/557313735.db2.gz BJWXWZVPFSZPMJ-XMMPIXPASA-N 0 0 438.487 4.700 50 0 IJAARN COC(=O)c1sccc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102201375 557314892 /nfs/dbraw/zinc/31/48/92/557314892.db2.gz OMUJHEYQFLAWDX-UHFFFAOYSA-N 0 0 427.482 4.640 50 0 IJAARN Cn1c(SCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)nnc1-c1ccccc1F ZINC000014201742 557317549 /nfs/dbraw/zinc/31/75/49/557317549.db2.gz CMZNXKXDHJRABX-IBGZPJMESA-N 0 0 430.936 4.634 50 0 IJAARN CCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Br)cc3C)cc2s1 ZINC000032959673 557319173 /nfs/dbraw/zinc/31/91/73/557319173.db2.gz JFKDYPVWXPAECR-UHFFFAOYSA-N 0 0 432.343 4.897 50 0 IJAARN Cc1ccc(-c2cc(OCC(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000032985879 557319973 /nfs/dbraw/zinc/31/99/73/557319973.db2.gz AVJAPFASCAVPSI-UHFFFAOYSA-N 0 0 426.472 4.634 50 0 IJAARN Cc1ccccc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21 ZINC000033031965 557321684 /nfs/dbraw/zinc/32/16/84/557321684.db2.gz DKCCUFPDINVLBY-UHFFFAOYSA-N 0 0 438.325 4.744 50 0 IJAARN Cc1nn(-c2nc(CC(=O)N3CCCCC3)cs2)c(C)c1Cc1ccccc1Cl ZINC000033004565 557322223 /nfs/dbraw/zinc/32/22/23/557322223.db2.gz ZNBLWPXPDWLWBZ-UHFFFAOYSA-N 0 0 428.989 4.745 50 0 IJAARN Cc1cccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1C ZINC000033088376 557322532 /nfs/dbraw/zinc/32/25/32/557322532.db2.gz PTIHLEISBRBIPV-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C/c4ccc(SC)cc4)c(=O)n3n2)cc1 ZINC000033168275 557326381 /nfs/dbraw/zinc/32/63/81/557326381.db2.gz BPNZMOFQNWMFML-HMMYKYKNSA-N 0 0 437.590 4.657 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nccc3c2ccn3Cc2ccccc2)c1 ZINC000033298398 557330720 /nfs/dbraw/zinc/33/07/20/557330720.db2.gz UYBZEQNSUFKKQN-UHFFFAOYSA-N 0 0 433.533 4.833 50 0 IJAARN CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)NC(=O)N[C@@H]1C ZINC000014357101 557335437 /nfs/dbraw/zinc/33/54/37/557335437.db2.gz LJVKBCLFUUEOTK-OAHLLOKOSA-N 0 0 449.532 4.619 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1I ZINC000014429721 557337717 /nfs/dbraw/zinc/33/77/17/557337717.db2.gz QEOUUIFYLNPWGK-UHFFFAOYSA-N 0 0 429.257 4.976 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)cc1 ZINC000102529642 557340682 /nfs/dbraw/zinc/34/06/82/557340682.db2.gz MIAQSQYOGVBOQE-UHFFFAOYSA-N 0 0 425.532 4.602 50 0 IJAARN CCn1c(SCc2ccoc2C(=O)OC)nc2scc(-c3ccccc3)c2c1=O ZINC000024971962 557342592 /nfs/dbraw/zinc/34/25/92/557342592.db2.gz NGINPYGVEIUWAD-UHFFFAOYSA-N 0 0 426.519 4.817 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCC(C)CC3)cc2)n1 ZINC000023428826 557354822 /nfs/dbraw/zinc/35/48/22/557354822.db2.gz JSVFWBAZGBXQHI-UHFFFAOYSA-N 0 0 431.536 4.897 50 0 IJAARN COc1ccc(C(=O)Nc2c(-c3cccc(F)c3)cn(C)c2C(=O)OC(C)C)cc1OC ZINC000023434979 557355963 /nfs/dbraw/zinc/35/59/63/557355963.db2.gz AEFXUPLZJHKNGM-UHFFFAOYSA-N 0 0 440.471 4.666 50 0 IJAARN COc1ccc(OCCNC(=O)c2cncn2-c2ccc(-c3ccc(F)c(F)c3)cc2)cc1 ZINC000023451687 557357178 /nfs/dbraw/zinc/35/71/78/557357178.db2.gz VTOWNUOKNSRXDI-UHFFFAOYSA-N 0 0 449.457 4.635 50 0 IJAARN COc1cc(CN(C)C(=O)c2cc(-c3ccc4ccccc4c3)on2)cc(OC)c1OC ZINC000023451838 557357351 /nfs/dbraw/zinc/35/73/51/557357351.db2.gz BDALQRMLZIUSGW-UHFFFAOYSA-N 0 0 432.476 4.793 50 0 IJAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)N3CCC(C)CC3)c3ccccc3n1)CC2 ZINC000023440062 557357744 /nfs/dbraw/zinc/35/77/44/557357744.db2.gz AHLLKYAPTMEXBY-UHFFFAOYSA-N 0 0 445.563 4.687 50 0 IJAARN COc1cc(-c2nc3ccc(Cl)cc3c(=O)n2Cc2ccccc2)cc(OC)c1OC ZINC000023442871 557358266 /nfs/dbraw/zinc/35/82/66/557358266.db2.gz XCVOYYWWIWOJBP-UHFFFAOYSA-N 0 0 436.895 4.791 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220711503 557364863 /nfs/dbraw/zinc/36/48/63/557364863.db2.gz XTSPCRUKSDALOR-INIZCTEOSA-N 0 0 428.895 4.693 50 0 IJAARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1ccc(OCc2ccccc2)cc1 ZINC000033758233 557369102 /nfs/dbraw/zinc/36/91/02/557369102.db2.gz MKRUXBPAUPPNJB-UHFFFAOYSA-N 0 0 429.505 4.520 50 0 IJAARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c(OC)c1 ZINC000102736144 557373816 /nfs/dbraw/zinc/37/38/16/557373816.db2.gz HEFZQNHGJHJKDW-LRTDBIEQSA-N 0 0 436.443 4.855 50 0 IJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc5oc(=O)ccc5c4)CC3=O)n2)cc1 ZINC000102717347 557375270 /nfs/dbraw/zinc/37/52/70/557375270.db2.gz ITDWHGBOVUHJKT-UHFFFAOYSA-N 0 0 431.473 4.692 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)[C@H]3CSCN3[C@]23c2ccccc2NC3=O)cc1 ZINC000102773501 557381942 /nfs/dbraw/zinc/38/19/42/557381942.db2.gz FGIYHNXMIJHZJO-PSELDJGJSA-N 0 0 440.568 4.814 50 0 IJAARN COc1ccc(OC)c([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000102753347 557383549 /nfs/dbraw/zinc/38/35/49/557383549.db2.gz UOKCEFADCNHZRQ-ASSNKEHSSA-N 0 0 436.443 4.855 50 0 IJAARN CC[C@H](C)[C@H](C(=O)N[C@H]1CCCc2c3cc(OC)ccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000257198594 557395356 /nfs/dbraw/zinc/39/53/56/557395356.db2.gz DBIUIUGXWXMGLB-GVHPLLPZSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN COCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000033437459 557397703 /nfs/dbraw/zinc/39/77/03/557397703.db2.gz BNVIOQRLWZTLDO-UHFFFAOYSA-N 0 0 442.519 4.829 50 0 IJAARN COc1ccccc1-c1noc(-c2nn(-c3cccc(SC)c3)c(=O)c3ccccc32)n1 ZINC000064950134 557425518 /nfs/dbraw/zinc/42/55/18/557425518.db2.gz GKMUGDJASLGMAE-UHFFFAOYSA-N 0 0 442.500 4.833 50 0 IJAARN COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1[C@H](C)c1ccccc1)c1ccc(C)cc1C ZINC000103540010 557438623 /nfs/dbraw/zinc/43/86/23/557438623.db2.gz LHQKHRFCDHODJW-UKDVSSAZSA-N 0 0 432.564 4.907 50 0 IJAARN Cc1ccccc1-c1ccc2nc(-c3ccccc3)c(CCC(=O)N3CCOCC3)n2c1 ZINC000096289744 557451311 /nfs/dbraw/zinc/45/13/11/557451311.db2.gz XUZSNQOZJRGOEU-UHFFFAOYSA-N 0 0 425.532 4.768 50 0 IJAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000014812654 557458281 /nfs/dbraw/zinc/45/82/81/557458281.db2.gz SRVLKBALNHINLH-BQJUAITNSA-N 0 0 446.503 4.898 50 0 IJAARN Cc1ccccc1CN(Cc1nc(C(=O)NC[C@@H]2CCCO2)co1)[C@H](C)c1ccccc1 ZINC000104965894 557469870 /nfs/dbraw/zinc/46/98/70/557469870.db2.gz VEINXIKAUHASHX-OFNKIYASSA-N 0 0 433.552 4.655 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000016193631 557470614 /nfs/dbraw/zinc/47/06/14/557470614.db2.gz ZAOJIAXUNIAFRM-CQSZACIVSA-N 0 0 439.496 4.688 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000105022387 557473129 /nfs/dbraw/zinc/47/31/29/557473129.db2.gz RYTWGYVPNQYVKC-JMUQELJHSA-N 0 0 425.548 4.966 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000014862022 557507689 /nfs/dbraw/zinc/50/76/89/557507689.db2.gz XNFZMWKLFUGOBZ-MDWZMJQESA-N 0 0 429.476 4.908 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CCCC1)N(Cc1ccc(C)cc1)CC2 ZINC000105836309 557511670 /nfs/dbraw/zinc/51/16/70/557511670.db2.gz BKNIKJMIFLJZRD-AFMDSPMNSA-N 0 0 436.596 4.807 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)c12 ZINC000036611706 557516795 /nfs/dbraw/zinc/51/67/95/557516795.db2.gz SZYXIUBYARNVIR-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000106538383 557530132 /nfs/dbraw/zinc/53/01/32/557530132.db2.gz YMGDGUPCIFLPMT-HJPSDWOMSA-N 0 0 445.563 4.679 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922161 557533298 /nfs/dbraw/zinc/53/32/98/557533298.db2.gz QFHDBCCERPLQLG-WBVHZDCISA-N 0 0 425.920 4.505 50 0 IJAARN Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1Br ZINC000045900566 557547005 /nfs/dbraw/zinc/54/70/05/557547005.db2.gz IZMDTNHZTRSJMJ-UHFFFAOYSA-N 0 0 440.219 4.714 50 0 IJAARN COc1cccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1OC ZINC000045928154 557550379 /nfs/dbraw/zinc/55/03/79/557550379.db2.gz MILFKFKEXOUZHY-QHCPKHFHSA-N 0 0 433.479 4.938 50 0 IJAARN Cc1ccc(-c2c3cnc4ccc(C)cc4c3sc2C(=O)NCCN2CCOCC2)cc1 ZINC000045943780 557552654 /nfs/dbraw/zinc/55/26/54/557552654.db2.gz CSBRUHAYYVNBTK-UHFFFAOYSA-N 0 0 445.588 4.795 50 0 IJAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(C(F)(F)F)c4)n3n2)cc1 ZINC000045972056 557555455 /nfs/dbraw/zinc/55/54/55/557555455.db2.gz KMGLQRZTXDZJGQ-UHFFFAOYSA-N 0 0 430.455 4.958 50 0 IJAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)Nc5ccc(F)cc5)n4ccn3n2)c1 ZINC000045971663 557555520 /nfs/dbraw/zinc/55/55/20/557555520.db2.gz CCYCQPAITSSOSD-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN CCOc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1 ZINC000606422258 557635868 /nfs/dbraw/zinc/63/58/68/557635868.db2.gz HVDJPSDUWVYLFQ-NXCFDTQHSA-N 0 0 436.596 4.502 50 0 IJAARN Cc1ccc(CN(C(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)C(C)C)o1 ZINC000040154995 557705823 /nfs/dbraw/zinc/70/58/23/557705823.db2.gz LBTGDQCMMYLFGN-UHFFFAOYSA-N 0 0 433.430 4.512 50 0 IJAARN O=C(Cn1ccc2c1cccc2Br)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000040288163 557716412 /nfs/dbraw/zinc/71/64/12/557716412.db2.gz FBZNMAZNPHFPMI-UHFFFAOYSA-N 0 0 447.760 4.567 50 0 IJAARN Cc1oc(-c2ccsc2)nc1CC(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000225448289 557724083 /nfs/dbraw/zinc/72/40/83/557724083.db2.gz NYMXAECXXVKESD-QGZVFWFLSA-N 0 0 425.337 4.801 50 0 IJAARN Cc1cc(C)c(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3C)CC2)c(C)c1 ZINC000225538844 557738426 /nfs/dbraw/zinc/73/84/26/557738426.db2.gz ZJHXAYHHCACBDY-UHFFFAOYSA-N 0 0 427.397 4.738 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1 ZINC000000870522 557842225 /nfs/dbraw/zinc/84/22/25/557842225.db2.gz YDJNTCGPSIITSN-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN O=C(Cc1csc(N2CCCC2=O)n1)O[C@@H]1CCCCc2c(Br)cccc21 ZINC000240786092 557845753 /nfs/dbraw/zinc/84/57/53/557845753.db2.gz IAEJCHHJAFPBNE-QGZVFWFLSA-N 0 0 449.370 4.586 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)N1CCCC1 ZINC000000876437 557848118 /nfs/dbraw/zinc/84/81/18/557848118.db2.gz CABZJYOAIBGLIW-UHFFFAOYSA-N 0 0 431.970 4.917 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2 ZINC000000883834 557854565 /nfs/dbraw/zinc/85/45/65/557854565.db2.gz FNMQRULVHZKKAK-UHFFFAOYSA-N 0 0 433.411 4.622 50 0 IJAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 ZINC000000901048 562919525 /nfs/dbraw/zinc/91/95/25/562919525.db2.gz ODPKYFRGIZHQLV-CQSZACIVSA-N 0 0 447.482 4.968 50 0 IJAARN O=C(NC(=O)c1ccccc1)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000001428137 562921867 /nfs/dbraw/zinc/92/18/67/562921867.db2.gz PXYIEXRZQIBVOM-UHFFFAOYSA-N 0 0 442.319 4.872 50 0 IJAARN CCCc1cc2c(cc1OC)oc(=O)c(-c1ccc(C(=O)OCC)o1)c2OC(=O)CC ZINC000001504409 562922402 /nfs/dbraw/zinc/92/24/02/562922402.db2.gz ZANGPHVWSAZLSA-UHFFFAOYSA-N 0 0 428.437 4.506 50 0 IJAARN COc1ccc(CCNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000002651687 562929296 /nfs/dbraw/zinc/92/92/96/562929296.db2.gz WPBXPDKROTXKRS-QHCPKHFHSA-N 0 0 436.939 4.569 50 0 IJAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000002693678 562929822 /nfs/dbraw/zinc/92/98/22/562929822.db2.gz SNGYGIYOYBEXQW-UHFFFAOYSA-N 0 0 446.453 4.712 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000002940960 562930944 /nfs/dbraw/zinc/93/09/44/562930944.db2.gz WPKGNQHZTUXUMN-QGZVFWFLSA-N 0 0 437.989 4.701 50 0 IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 ZINC000002980118 562931458 /nfs/dbraw/zinc/93/14/58/562931458.db2.gz QABOGQUOXNKGFU-QHCPKHFHSA-N 0 0 448.519 4.923 50 0 IJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000003005746 562931530 /nfs/dbraw/zinc/93/15/30/562931530.db2.gz BEENWLQVSNLXHM-HSZRJFAPSA-N 0 0 433.504 4.531 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)cc1F ZINC000003025149 562931802 /nfs/dbraw/zinc/93/18/02/562931802.db2.gz XEOXMNIZDFYNRE-UHFFFAOYSA-N 0 0 434.508 4.694 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(Nc3ccccc3)nc3ccccc32)cc1OC ZINC000003027363 562931837 /nfs/dbraw/zinc/93/18/37/562931837.db2.gz UWZSNGIPSVLSRT-UHFFFAOYSA-N 0 0 427.504 4.968 50 0 biogenic IJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1F ZINC000003031291 562931874 /nfs/dbraw/zinc/93/18/74/562931874.db2.gz NKMWXKMSBRLACH-UHFFFAOYSA-N 0 0 440.540 4.770 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000003247986 562933323 /nfs/dbraw/zinc/93/33/23/562933323.db2.gz ABRVTTYHYYPKIL-UHFFFAOYSA-N 0 0 432.904 4.944 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003437177 562935857 /nfs/dbraw/zinc/93/58/57/562935857.db2.gz UKEAGBNVKRIELQ-UHFFFAOYSA-N 0 0 427.529 4.605 50 0 IJAARN CC(=O)N1C=CN(C(C)=O)[C@H](c2cn(C)c3ccccc23)[C@H]1c1cn(C)c2ccccc12 ZINC000003877626 562939203 /nfs/dbraw/zinc/93/92/03/562939203.db2.gz UVAQROSNPJICDA-CLJLJLNGSA-N 0 0 426.520 4.634 50 0 biogenic IJAARN COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1OC ZINC000004003542 562940575 /nfs/dbraw/zinc/94/05/75/562940575.db2.gz ZHNMOWNSDLOTPL-UHFFFAOYSA-N 0 0 449.532 4.762 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000008586919 562950200 /nfs/dbraw/zinc/95/02/00/562950200.db2.gz JKUXGNLGUJDNLZ-UHFFFAOYSA-N 0 0 443.459 4.632 50 0 IJAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)c2ccc(C)c(C)c2)c1=O ZINC000008587210 562950263 /nfs/dbraw/zinc/95/02/63/562950263.db2.gz HGXIJRFLOVNCNB-UHFFFAOYSA-N 0 0 425.488 4.522 50 0 IJAARN COc1cc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC ZINC000008587559 562950322 /nfs/dbraw/zinc/95/03/22/562950322.db2.gz FMKJWUCUPNGBMW-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN Cc1ccccc1CNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008587615 562950328 /nfs/dbraw/zinc/95/03/28/562950328.db2.gz GGKWBOOEXPEHQI-UHFFFAOYSA-N 0 0 430.577 4.911 50 0 aggregator IJAARN C=C1C(NCc2ccccc2Br)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000008587697 562950373 /nfs/dbraw/zinc/95/03/73/562950373.db2.gz RCAMMQOIASEUCU-UHFFFAOYSA-N 0 0 433.371 4.835 50 0 IJAARN CSc1ccc(CCNC(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587726 562950401 /nfs/dbraw/zinc/95/04/01/562950401.db2.gz UPOLHIMLAVPQLP-HNNXBMFYSA-N 0 0 437.590 4.561 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 ZINC000008589618 562951264 /nfs/dbraw/zinc/95/12/64/562951264.db2.gz KHSQBTPIASPIIU-UHFFFAOYSA-N 0 0 449.576 4.587 50 0 IJAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)o2)c1 ZINC000008590552 562951765 /nfs/dbraw/zinc/95/17/65/562951765.db2.gz OJQNTRNUFBYFTQ-UHFFFAOYSA-N 0 0 426.538 4.872 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)Nc5ccc(F)cc5)C4)sc3n2)cc1 ZINC000008591158 562951944 /nfs/dbraw/zinc/95/19/44/562951944.db2.gz QCRKRMMESMINHM-QGZVFWFLSA-N 0 0 435.528 4.760 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000008591627 562952070 /nfs/dbraw/zinc/95/20/70/562952070.db2.gz UFQAIMCUJPNZBX-UHFFFAOYSA-N 0 0 434.471 4.852 50 0 aggregator IJAARN Cc1c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c(=O)n(-c2ccccc2)n1C ZINC000008592801 562952392 /nfs/dbraw/zinc/95/23/92/562952392.db2.gz LMLPIOARKOERQD-UHFFFAOYSA-N 0 0 443.290 4.699 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008593105 562952546 /nfs/dbraw/zinc/95/25/46/562952546.db2.gz OFCPKYHSGXECAB-HSZRJFAPSA-N 0 0 446.478 4.728 50 0 IJAARN CC1CCC(NC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1 ZINC000008597352 562953987 /nfs/dbraw/zinc/95/39/87/562953987.db2.gz MFRUANZGFRPALC-UHFFFAOYSA-N 0 0 430.353 4.869 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1cccc(F)c1 ZINC000008598562 562954308 /nfs/dbraw/zinc/95/43/08/562954308.db2.gz SKNQZBDAKYEREW-UHFFFAOYSA-N 0 0 445.446 4.547 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccc(F)cc3c2=O)cc1 ZINC000008598710 562954431 /nfs/dbraw/zinc/95/44/31/562954431.db2.gz SJSKIMICNLIGDD-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1 ZINC000008599329 562954661 /nfs/dbraw/zinc/95/46/61/562954661.db2.gz VTNHLKAKESLGBF-UHFFFAOYSA-N 0 0 428.561 4.998 50 0 IJAARN Cc1ccc(C)c(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000008600500 562955064 /nfs/dbraw/zinc/95/50/64/562955064.db2.gz YJCXAUGSCZTSFH-UHFFFAOYSA-N 0 0 428.536 4.505 50 0 IJAARN CCOc1ccccc1C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000008608918 562957559 /nfs/dbraw/zinc/95/75/59/562957559.db2.gz JEZMNYDCHOHBBD-OAQYLSRUSA-N 0 0 447.553 4.539 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(F)cc1F ZINC000008611461 562958633 /nfs/dbraw/zinc/95/86/33/562958633.db2.gz OWSIKYNYQBBPHL-UHFFFAOYSA-N 0 0 436.462 4.501 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000008612092 562959015 /nfs/dbraw/zinc/95/90/15/562959015.db2.gz FXVXYOXLGFPJTE-UHFFFAOYSA-N 0 0 425.963 4.611 50 0 IJAARN Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000008612316 562959167 /nfs/dbraw/zinc/95/91/67/562959167.db2.gz KRLPSSPQAIKXNJ-UHFFFAOYSA-N 0 0 429.517 4.708 50 0 IJAARN COc1ccccc1CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000008612858 562959335 /nfs/dbraw/zinc/95/93/35/562959335.db2.gz LQULMOKKDLKQAD-UHFFFAOYSA-N 0 0 433.504 4.765 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000008619673 562959948 /nfs/dbraw/zinc/95/99/48/562959948.db2.gz DHSRBEPXGNBQHN-UHFFFAOYSA-N 0 0 429.545 4.638 50 0 IJAARN COc1ccc(OCc2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)cc1 ZINC000008686238 562962747 /nfs/dbraw/zinc/96/27/47/562962747.db2.gz HWLJMRCAZAIXDW-UHFFFAOYSA-N 0 0 443.912 4.605 50 0 IJAARN O=C(CCOc1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000008694073 562963747 /nfs/dbraw/zinc/96/37/47/562963747.db2.gz WLTALOCIIXLGNM-UHFFFAOYSA-N 0 0 430.913 4.548 50 0 IJAARN CCCCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000008860082 562965259 /nfs/dbraw/zinc/96/52/59/562965259.db2.gz OVVJEAXJBXVSEO-SFHVURJKSA-N 0 0 434.558 4.641 50 0 IJAARN COc1ccc(CCNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1OC ZINC000008936374 562966201 /nfs/dbraw/zinc/96/62/01/562966201.db2.gz AGVZUWOWOOLGFE-UHFFFAOYSA-N 0 0 442.606 4.662 50 0 IJAARN Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c1 ZINC000009030293 562966641 /nfs/dbraw/zinc/96/66/41/562966641.db2.gz NCXOMBJUACKHHU-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1OC ZINC000009360576 562969620 /nfs/dbraw/zinc/96/96/20/562969620.db2.gz ROTCUWUVLDPCSI-XMMPIXPASA-N 0 0 429.451 4.983 50 0 IJAARN Cc1ccc2cc(CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000009431057 562970674 /nfs/dbraw/zinc/97/06/74/562970674.db2.gz UYXHUISRJADPGY-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1Cl ZINC000009673228 562975285 /nfs/dbraw/zinc/97/52/85/562975285.db2.gz LRVHMAQBWLHIEU-UXHICEINSA-N 0 0 426.925 4.959 50 0 IJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000013118232 562984568 /nfs/dbraw/zinc/98/45/68/562984568.db2.gz LXLDJVXFYZOQHG-AWEZNQCLSA-N 0 0 438.937 4.526 50 0 IJAARN C[C@@H](NC(=O)Cc1cccs1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288905 563024389 /nfs/dbraw/zinc/02/43/89/563024389.db2.gz OPSSRDBGRZEICH-UZUQRXQVSA-N 0 0 443.613 4.559 50 0 IJAARN C[C@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288915 563024453 /nfs/dbraw/zinc/02/44/53/563024453.db2.gz OPSSRDBGRZEICH-SBUREZEXSA-N 0 0 443.613 4.559 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036067034 563090773 /nfs/dbraw/zinc/09/07/73/563090773.db2.gz HQTMNPFEMVNHON-XMMPIXPASA-N 0 0 431.536 4.541 50 0 IJAARN O=C(Nc1cccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)c1)C1CCC1 ZINC000236664594 568614757 /nfs/dbraw/zinc/61/47/57/568614757.db2.gz NNFGPVWRSBYRDB-UHFFFAOYSA-N 0 0 439.357 4.868 50 0 IJAARN CCOC(=O)C(=C(O)CSc1ncc(-c2ccccc2)n1C1CC1)c1nc(C)cs1 ZINC000103035073 568622019 /nfs/dbraw/zinc/62/20/19/568622019.db2.gz MDROEQAFHRMYKC-LJQANCHMSA-N 0 0 441.578 4.658 50 0 IJAARN COC(=O)c1n[nH]c2ccc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)cc21 ZINC000025082669 568635532 /nfs/dbraw/zinc/63/55/32/568635532.db2.gz GNIMBFWWDICENB-UHFFFAOYSA-N 0 0 444.472 4.985 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000000900184 568635937 /nfs/dbraw/zinc/63/59/37/568635937.db2.gz RXEQJKYCIPBBON-UHFFFAOYSA-N 0 0 435.940 4.773 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1C ZINC000015079538 568636628 /nfs/dbraw/zinc/63/66/28/568636628.db2.gz CCZGHXMRKBNYPN-LLVKDONJSA-N 0 0 441.500 4.881 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000000915504 568636965 /nfs/dbraw/zinc/63/69/65/568636965.db2.gz DUFMVMUULKLSEU-UHFFFAOYSA-N 0 0 433.533 4.639 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000000917738 568637015 /nfs/dbraw/zinc/63/70/15/568637015.db2.gz PWJXHEXFKMGKNG-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(OC)cc2)o1 ZINC000000925135 568637671 /nfs/dbraw/zinc/63/76/71/568637671.db2.gz HIDCJTIOBKYFPF-UHFFFAOYSA-N 0 0 426.542 4.546 50 0 IJAARN COc1ccc(-c2csc3ncn([C@H](C)C(=O)Nc4ccc(C)cc4)c(=O)c23)cc1OC ZINC000000937705 568639029 /nfs/dbraw/zinc/63/90/29/568639029.db2.gz BLDUHMVZBNFORP-OAHLLOKOSA-N 0 0 449.532 4.650 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)n(-c2ccccn2)n1 ZINC000025146577 568641162 /nfs/dbraw/zinc/64/11/62/568641162.db2.gz NADYYAYAJFNMRB-UHFFFAOYSA-N 0 0 448.429 4.642 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000086057103 568642527 /nfs/dbraw/zinc/64/25/27/568642527.db2.gz VWIAJDFLWKBNOK-LJQANCHMSA-N 0 0 435.549 4.634 50 0 IJAARN O=c1[nH]c2c(s1)[C@H]1c3cc(Br)ccc3OC(=O)[C@H]1[C@H](c1ccccc1)S2 ZINC000000944566 568643130 /nfs/dbraw/zinc/64/31/30/568643130.db2.gz WZXSHYSANSVRRC-ZNMIVQPWSA-N 0 0 446.347 4.713 50 0 IJAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccccc2C)cc1 ZINC000086066637 568644009 /nfs/dbraw/zinc/64/40/09/568644009.db2.gz TUFOFYUFQBYIIU-UHFFFAOYSA-N 0 0 435.915 4.559 50 0 IJAARN O=C(NCCCc1ccccc1)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025160410 568645517 /nfs/dbraw/zinc/64/55/17/568645517.db2.gz IBXZJUMVPKZVOV-UHFFFAOYSA-N 0 0 439.544 4.907 50 0 IJAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000000955523 568645684 /nfs/dbraw/zinc/64/56/84/568645684.db2.gz HILYLFJNWWUPMK-UHFFFAOYSA-N 0 0 444.409 4.984 50 0 IJAARN COc1ccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5n4C)c(=O)oc3c2)cc1 ZINC000000970488 568647466 /nfs/dbraw/zinc/64/74/66/568647466.db2.gz QHWDSNFFOMIZDC-UHFFFAOYSA-N 0 0 426.428 4.575 50 0 IJAARN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000000987434 568649078 /nfs/dbraw/zinc/64/90/78/568649078.db2.gz YNXHJEKYJWWPFT-KGENOOAVSA-N 0 0 438.549 4.676 50 0 IJAARN COc1cc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000001043658 568654244 /nfs/dbraw/zinc/65/42/44/568654244.db2.gz WEWRQRBNINIRDN-FQEVSTJZSA-N 0 0 430.504 4.756 50 0 biogenic IJAARN CCOc1ccc(CCNC(=O)Cc2c(SC)c3ccccc3n2C)cc1OCC ZINC000001080178 568657030 /nfs/dbraw/zinc/65/70/30/568657030.db2.gz BWCSIEPPVOPAMG-UHFFFAOYSA-N 0 0 426.582 4.599 50 0 IJAARN COc1ccc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1Br ZINC000001093279 568658591 /nfs/dbraw/zinc/65/85/91/568658591.db2.gz JAAFOTBXBYNODV-OAHLLOKOSA-N 0 0 448.367 4.893 50 0 IJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000001099947 568659129 /nfs/dbraw/zinc/65/91/29/568659129.db2.gz LLBZMDDDBFHHFV-UHFFFAOYSA-N 0 0 427.489 4.602 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001105953 568660486 /nfs/dbraw/zinc/66/04/86/568660486.db2.gz RRVYYKPAVGTXKK-UHFFFAOYSA-N 0 0 446.981 4.896 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cs2)cc1OC ZINC000015200216 568732187 /nfs/dbraw/zinc/73/21/87/568732187.db2.gz NYQXWBHAMFAJBI-HNNXBMFYSA-N 0 0 430.526 4.933 50 0 IJAARN O=C(Nc1ccc(Br)c(Cl)c1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000261490551 568734150 /nfs/dbraw/zinc/73/41/50/568734150.db2.gz GZKNVFUYKMJGNM-UHFFFAOYSA-N 0 0 445.626 4.954 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000001189418 568736432 /nfs/dbraw/zinc/73/64/32/568736432.db2.gz GBZQBXHTCXZNSS-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccccc1C(F)(F)F ZINC000263639698 568737399 /nfs/dbraw/zinc/73/73/99/568737399.db2.gz DWPQDYXXLAYMGJ-NSHDSACASA-N 0 0 437.771 4.781 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000034731108 568737592 /nfs/dbraw/zinc/73/75/92/568737592.db2.gz BMRZIOXRTCGLTR-JWQCQUIFSA-N 0 0 448.607 4.832 50 0 IJAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c(C(F)(F)F)c2)n1 ZINC000063332315 568739019 /nfs/dbraw/zinc/73/90/19/568739019.db2.gz DEASMNYZFMKKLT-UHFFFAOYSA-N 0 0 444.457 4.593 50 0 IJAARN CC(=O)N(c1nc(Cn2cnc3ccccc3c2=O)cs1)c1c(C)cc(C)cc1Cl ZINC000031681340 568741631 /nfs/dbraw/zinc/74/16/31/568741631.db2.gz JJDDCWFFXKEENZ-UHFFFAOYSA-N 0 0 438.940 4.856 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000003261260 568744234 /nfs/dbraw/zinc/74/42/34/568744234.db2.gz MLZQNWZHEAPLOX-MRVPVSSYSA-N 0 0 438.094 4.644 50 0 IJAARN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2sc3c(c2c1=O)CCC3 ZINC000003266838 568744439 /nfs/dbraw/zinc/74/44/39/568744439.db2.gz GPBRONPODTZJDD-UHFFFAOYSA-N 0 0 427.595 4.704 50 0 IJAARN Cc1ccc(C(C)(C)C)c(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 ZINC000003281697 568745010 /nfs/dbraw/zinc/74/50/10/568745010.db2.gz PZGQQYCPMDUPDB-UHFFFAOYSA-N 0 0 434.513 4.889 50 0 IJAARN O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000044006104 568745614 /nfs/dbraw/zinc/74/56/14/568745614.db2.gz VPQPCLKPRROZBX-UHFFFAOYSA-N 0 0 438.425 4.910 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 ZINC000003307092 568745859 /nfs/dbraw/zinc/74/58/59/568745859.db2.gz PYBLRKZZCMXQAN-UHFFFAOYSA-N 0 0 440.952 4.758 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)Nc1ccccc1 ZINC000003356361 568747157 /nfs/dbraw/zinc/74/71/57/568747157.db2.gz OVJMTQVEBNBZNT-GOSISDBHSA-N 0 0 428.945 4.508 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000012571600 568750707 /nfs/dbraw/zinc/75/07/07/568750707.db2.gz WXPAEWSWQBDSDT-INIZCTEOSA-N 0 0 438.351 4.833 50 0 IJAARN CCCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3S[C@H](CC)C(=O)N32)cc1 ZINC000003637567 568752198 /nfs/dbraw/zinc/75/21/98/568752198.db2.gz GJMFISPIIIYZSM-QUCCMNQESA-N 0 0 430.570 4.857 50 0 IJAARN COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)Cn2ccc(C)n2)C2CC2)cc1 ZINC000299794000 568757728 /nfs/dbraw/zinc/75/77/28/568757728.db2.gz JORZOKXBJWGUTF-UHFFFAOYSA-N 0 0 444.510 4.746 50 0 IJAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000019167811 568758335 /nfs/dbraw/zinc/75/83/35/568758335.db2.gz YKEJTBLJQMBMHY-UHFFFAOYSA-N 0 0 444.520 4.714 50 0 IJAARN COC(=O)c1nc(NC(=O)[C@@H](CC(C)C)n2cccc2)sc1CCc1ccccc1 ZINC000263588358 568760952 /nfs/dbraw/zinc/76/09/52/568760952.db2.gz SFQCVVVHRRCTIF-GOSISDBHSA-N 0 0 425.554 4.742 50 0 IJAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000015437124 568762152 /nfs/dbraw/zinc/76/21/52/568762152.db2.gz GYVQIXAXYSOMLS-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN COc1ccc(C(=O)Oc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 ZINC000001237916 568774326 /nfs/dbraw/zinc/77/43/26/568774326.db2.gz REIOZTUOYCRKSM-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN CCOc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000001264639 568775380 /nfs/dbraw/zinc/77/53/80/568775380.db2.gz HINSIRJPYLBAFT-UHFFFAOYSA-N 0 0 437.487 4.831 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000001262953 568775473 /nfs/dbraw/zinc/77/54/73/568775473.db2.gz YXESWZAEHZMWRF-UHFFFAOYSA-N 0 0 437.487 4.831 50 0 IJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000032074918 568778023 /nfs/dbraw/zinc/77/80/23/568778023.db2.gz ZZQQJHCIDJQOBM-MRXNPFEDSA-N 0 0 445.306 4.696 50 0 IJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)c1 ZINC000263619347 568778045 /nfs/dbraw/zinc/77/80/45/568778045.db2.gz YGVVKOVOPAFTDW-KRWDZBQOSA-N 0 0 446.360 4.909 50 0 IJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263618130 568778050 /nfs/dbraw/zinc/77/80/50/568778050.db2.gz RJPKQZDPFPBBFV-QGZVFWFLSA-N 0 0 446.360 4.909 50 0 IJAARN O=c1c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc2n1OCc1ccccc1 ZINC000001304936 568779242 /nfs/dbraw/zinc/77/92/42/568779242.db2.gz PUHWTFMTZLBPSI-UHFFFAOYSA-N 0 0 436.467 4.723 50 0 IJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccc(C)cc1 ZINC000001320914 568779829 /nfs/dbraw/zinc/77/98/29/568779829.db2.gz WMJBHWSHPYZCBP-UHFFFAOYSA-N 0 0 446.532 4.522 50 0 IJAARN COc1cc([C@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c(Br)cc1O ZINC000083881765 568784243 /nfs/dbraw/zinc/78/42/43/568784243.db2.gz DWYLYADWEVGONC-FQEVSTJZSA-N 0 0 443.297 4.547 50 0 IJAARN C[C@@H](Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccnc2ncnn21 ZINC000001389701 568784888 /nfs/dbraw/zinc/78/48/88/568784888.db2.gz SPOQBUQNFHKVCK-GFCCVEGCSA-N 0 0 433.821 4.922 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN31)C(=O)N2 ZINC000001407925 568787251 /nfs/dbraw/zinc/78/72/51/568787251.db2.gz STOVDFZFUJDFKB-NVQXNPDNSA-N 0 0 443.478 4.745 50 0 IJAARN Cc1ccccc1CN(C(=O)Cc1ccccc1)C(C)(C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000001416764 568790827 /nfs/dbraw/zinc/79/08/27/568790827.db2.gz MLLIEUSJLIVCFO-UHFFFAOYSA-N 0 0 444.531 4.712 50 0 IJAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc4ccccc43)n2)ccc1C ZINC000016661349 568791556 /nfs/dbraw/zinc/79/15/56/568791556.db2.gz JWBQZIOYWOMXIZ-KRWDZBQOSA-N 0 0 440.503 4.530 50 0 IJAARN COc1ccccc1C(=O)Nc1c(C(=O)NCc2ccco2)sc2nc(C)cc(C)c21 ZINC000001428490 568794185 /nfs/dbraw/zinc/79/41/85/568794185.db2.gz PTTATLJISDTKSD-UHFFFAOYSA-N 0 0 435.505 4.697 50 0 IJAARN COc1cc(C)ccc1OCCC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000084146210 568794754 /nfs/dbraw/zinc/79/47/54/568794754.db2.gz JAMTYLQXAYEZRI-UHFFFAOYSA-N 0 0 443.341 4.601 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2C(=O)NCC(=O)C(C)(C)C)c1C ZINC000012752887 568795583 /nfs/dbraw/zinc/79/55/83/568795583.db2.gz JZRSNTPNKLXMHI-MRXNPFEDSA-N 0 0 442.581 4.543 50 0 IJAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000084219635 568796238 /nfs/dbraw/zinc/79/62/38/568796238.db2.gz CEZRKIVEJQLNHF-DEOSSOPVSA-N 0 0 447.579 4.607 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2C)[C@@H]2CCC[C@H](C)C2)c1C ZINC000084235011 568796435 /nfs/dbraw/zinc/79/64/35/568796435.db2.gz WQRRTBKGNADZIP-GANZUKCXSA-N 0 0 435.568 4.884 50 0 IJAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H](C)c1nc3ccccc3n1C(C)C)CC2 ZINC000084286959 568796695 /nfs/dbraw/zinc/79/66/95/568796695.db2.gz BOMQBFUUDOITNM-ZFWWWQNUSA-N 0 0 445.489 4.717 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676327 568804102 /nfs/dbraw/zinc/80/41/02/568804102.db2.gz CJBREAZGHVQJNK-SANMLTNESA-N 0 0 436.600 4.747 50 0 IJAARN CC[C@H](C)N1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678241 568804746 /nfs/dbraw/zinc/80/47/46/568804746.db2.gz QRPFDNWGUGONFH-AVRWGWEMSA-N 0 0 425.573 4.990 50 0 IJAARN O=C(Nc1ccccc1F)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000015679447 568805152 /nfs/dbraw/zinc/80/51/52/568805152.db2.gz SRIUJTQOESTXKZ-UHFFFAOYSA-N 0 0 439.491 4.591 50 0 IJAARN O=C(CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O)NCc1cccc(F)c1 ZINC000015680104 568805939 /nfs/dbraw/zinc/80/59/39/568805939.db2.gz ILCVXCPZHKTDJI-UHFFFAOYSA-N 0 0 439.874 4.723 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)nc1CSc1ccccc1 ZINC000015682235 568807116 /nfs/dbraw/zinc/80/71/16/568807116.db2.gz SLPJOYFUUSRSAL-UHFFFAOYSA-N 0 0 449.576 4.685 50 0 IJAARN CC[C@H](Oc1ccccc1-c1nnc(-c2ccccc2)o1)C(=O)NCCc1ccccc1 ZINC000015733498 568815866 /nfs/dbraw/zinc/81/58/66/568815866.db2.gz KARQETVIABZTGN-QFIPXVFZSA-N 0 0 427.504 4.920 50 0 IJAARN CCOc1ccc(CNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000015733779 568816131 /nfs/dbraw/zinc/81/61/31/568816131.db2.gz NYXOEKVCGWBDBW-UHFFFAOYSA-N 0 0 440.565 4.509 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)cc1 ZINC000001448166 568817483 /nfs/dbraw/zinc/81/74/83/568817483.db2.gz MPIXRNVUYONTMX-UHFFFAOYSA-N 0 0 430.412 4.725 50 0 biogenic IJAARN Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)NC1CCCCCCC1)CCS2 ZINC000015776099 568823647 /nfs/dbraw/zinc/82/36/47/568823647.db2.gz MXGKHLCJIMIEKH-UHFFFAOYSA-N 0 0 440.613 4.629 50 0 IJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(OC)cc3)c(C)c2C(=O)[O-])cc1 ZINC000015777212 568823778 /nfs/dbraw/zinc/82/37/78/568823778.db2.gz HMALGXHJLUNIQX-UHFFFAOYSA-N 0 0 436.552 4.591 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(-c2nc(-c3cccc(F)c3)no2)o1 ZINC000085644017 568829130 /nfs/dbraw/zinc/82/91/30/568829130.db2.gz FQTNNJDTYBGQSI-UHFFFAOYSA-N 0 0 448.859 4.772 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000085651180 568831855 /nfs/dbraw/zinc/83/18/55/568831855.db2.gz CYNQMXHZZBKUJH-CQSZACIVSA-N 0 0 427.888 4.640 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 ZINC000001507488 568834524 /nfs/dbraw/zinc/83/45/24/568834524.db2.gz QQUUHEBBQMOFIE-UHFFFAOYSA-N 0 0 441.578 4.545 50 0 IJAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(F)c(F)c1 ZINC000001507373 568834525 /nfs/dbraw/zinc/83/45/25/568834525.db2.gz UBEJMDGKBLWVJB-UHFFFAOYSA-N 0 0 442.228 4.945 50 0 IJAARN O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccccc1Cl ZINC000001508011 568835006 /nfs/dbraw/zinc/83/50/06/568835006.db2.gz SLUNSQCZDWWTPZ-UHFFFAOYSA-N 0 0 444.874 4.879 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000085712576 568835543 /nfs/dbraw/zinc/83/55/43/568835543.db2.gz IHXUEGOIKOFOQP-UHFFFAOYSA-N 0 0 446.613 4.949 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)Cc2ccc(F)cc2)c1C ZINC000085711574 568835768 /nfs/dbraw/zinc/83/57/68/568835768.db2.gz IDDJPZNUCMQSFZ-UHFFFAOYSA-N 0 0 436.527 4.761 50 0 IJAARN COc1cc(OC)cc(C(=O)N2c3ccccc3N3C(c4c(C)cc(C)cc4C)=NON23)c1 ZINC000001510238 568836248 /nfs/dbraw/zinc/83/62/48/568836248.db2.gz NHMOYGHTLZOXKB-UHFFFAOYSA-N 0 0 444.491 4.535 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000000860537 568836395 /nfs/dbraw/zinc/83/63/95/568836395.db2.gz BYXNQHZZFSQOKB-UHFFFAOYSA-N 0 0 428.517 4.945 50 0 IJAARN O=C1OC(c2ccccc2F)=NC1=CNc1ccc(Br)cc1Br ZINC000001513239 568839352 /nfs/dbraw/zinc/83/93/52/568839352.db2.gz LWMFSYIRYVMBHX-ZSOIEALJSA-N 0 0 440.066 4.608 50 0 IJAARN Cc1ccc(C(=O)N2CCC(c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)cc1 ZINC000015827895 568841023 /nfs/dbraw/zinc/84/10/23/568841023.db2.gz VCGPDYMSBKKSLC-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001518420 568841194 /nfs/dbraw/zinc/84/11/94/568841194.db2.gz UEIXFRWGVWLNJM-UHFFFAOYSA-N 0 0 449.557 4.888 50 0 IJAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015834088 568842362 /nfs/dbraw/zinc/84/23/62/568842362.db2.gz MEOIPCZFVBVMRT-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc(F)c(F)cc1Cl ZINC000006147113 568846236 /nfs/dbraw/zinc/84/62/36/568846236.db2.gz FCMCXMPGCOADNL-UHFFFAOYSA-N 0 0 440.830 4.810 50 0 IJAARN COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccco1)N1CCOCC1 ZINC000015859311 568847182 /nfs/dbraw/zinc/84/71/82/568847182.db2.gz DTPPNJDHFZXAON-HSZRJFAPSA-N 0 0 432.476 4.708 50 0 IJAARN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccco1)N1CCOCC1 ZINC000015859312 568847189 /nfs/dbraw/zinc/84/71/89/568847189.db2.gz DTPPNJDHFZXAON-QHCPKHFHSA-N 0 0 432.476 4.708 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cc(F)ccc3F)nc2c1 ZINC000015865464 568850484 /nfs/dbraw/zinc/85/04/84/568850484.db2.gz JWMBCMGLPPHBSF-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN C[C@@H](Sc1nnc2c3ccccc3nc(-c3ccccc3)n12)C(=O)NCc1cccs1 ZINC000015868028 568851524 /nfs/dbraw/zinc/85/15/24/568851524.db2.gz GGXKDZLVSCFCFV-OAHLLOKOSA-N 0 0 445.573 4.803 50 0 IJAARN CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000026121397 568852466 /nfs/dbraw/zinc/85/24/66/568852466.db2.gz FNACUXJTWNWSIF-UHFFFAOYSA-N 0 0 434.584 4.828 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1c(F)cccc1F ZINC000015880727 568854230 /nfs/dbraw/zinc/85/42/30/568854230.db2.gz XXISXQXCTNZRSZ-UHFFFAOYSA-N 0 0 436.871 4.578 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(Br)cc1 ZINC000015880569 568854824 /nfs/dbraw/zinc/85/48/24/568854824.db2.gz KNSQVGYLDOTBCY-UHFFFAOYSA-N 0 0 431.315 4.731 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000015883037 568857388 /nfs/dbraw/zinc/85/73/88/568857388.db2.gz IAPXTPRGANCCGF-UHFFFAOYSA-N 0 0 440.780 4.840 50 0 IJAARN COC[C@@H](C)N(C(=O)CSc1nc2ccccc2[nH]1)c1c(C)cccc1[C@H](C)OC ZINC000575442893 568867793 /nfs/dbraw/zinc/86/77/93/568867793.db2.gz GAPMTSWUMXOZBC-SJORKVTESA-N 0 0 427.570 4.739 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1nc(-c2ccncc2)no1 ZINC000012939763 568868675 /nfs/dbraw/zinc/86/86/75/568868675.db2.gz ZWNBCMLIILPDQZ-INIZCTEOSA-N 0 0 441.520 4.687 50 0 IJAARN COc1cc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)cc(OC)c1OC ZINC000016047583 568868986 /nfs/dbraw/zinc/86/89/86/568868986.db2.gz SEIDNGMMGVSWMS-UHFFFAOYSA-N 0 0 447.447 4.807 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000012944705 568870608 /nfs/dbraw/zinc/87/06/08/568870608.db2.gz DERUOSYBMIISLP-DEOSSOPVSA-N 0 0 428.536 4.804 50 0 IJAARN C[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(-c2ccccc2)cc1 ZINC000012946868 568871232 /nfs/dbraw/zinc/87/12/32/568871232.db2.gz PTYSUGDCBQEHKD-MRXNPFEDSA-N 0 0 435.574 4.534 50 0 IJAARN Nc1c(C(=O)N2CCOCC2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 ZINC000006189482 568872600 /nfs/dbraw/zinc/87/26/00/568872600.db2.gz VJKRUJVMBBKFOW-UHFFFAOYSA-N 0 0 427.957 4.550 50 0 IJAARN CCCOc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016262200 568875117 /nfs/dbraw/zinc/87/51/17/568875117.db2.gz JRDSGXNEKADCSJ-NRFANRHFSA-N 0 0 427.932 4.780 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC000026463794 568877835 /nfs/dbraw/zinc/87/78/35/568877835.db2.gz UJICZGDUDXNDFW-HNNXBMFYSA-N 0 0 425.882 4.504 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)c1 ZINC000575609713 568878891 /nfs/dbraw/zinc/87/88/91/568878891.db2.gz FHSVYBBYHFSLHE-LJQANCHMSA-N 0 0 432.339 4.650 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2 ZINC000575615972 568881219 /nfs/dbraw/zinc/88/12/19/568881219.db2.gz MIQNWHULBQSCKP-UHFFFAOYSA-N 0 0 445.906 4.936 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(N2C(=O)C3=CCC=C[C@@H]3C2=O)s1 ZINC000669368923 568883938 /nfs/dbraw/zinc/88/39/38/568883938.db2.gz QZBLVLVEZAACBV-IRXDYDNUSA-N 0 0 439.606 4.976 50 0 IJAARN COC(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3SC)s2)cc1 ZINC000010822706 568884665 /nfs/dbraw/zinc/88/46/65/568884665.db2.gz FLUFRMAZPCBLQX-INIZCTEOSA-N 0 0 442.562 4.631 50 0 IJAARN CC(C)Sc1ccc(CC(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1 ZINC000090582649 568888309 /nfs/dbraw/zinc/88/83/09/568888309.db2.gz PSMKQORNJIVKHH-UHFFFAOYSA-N 0 0 441.578 4.616 50 0 IJAARN COc1ccccc1NC(=O)NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000090591622 568888751 /nfs/dbraw/zinc/88/87/51/568888751.db2.gz JNWXQZHVKSVERK-UHFFFAOYSA-N 0 0 437.931 4.596 50 0 IJAARN COc1ccc2cc([C@@H](C)C(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)ccc2c1 ZINC000012973724 568889674 /nfs/dbraw/zinc/88/96/74/568889674.db2.gz RGKVWERBDBRGJJ-OAHLLOKOSA-N 0 0 440.927 4.711 50 0 IJAARN C[C@@H](c1nc2cc(Cl)ccc2c(=O)n1C)N(C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000016424151 568897017 /nfs/dbraw/zinc/89/70/17/568897017.db2.gz BWHWPKAXBDCTST-KRWDZBQOSA-N 0 0 445.950 4.938 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCc3ccccc3Cn3cccn3)c2oc1-c1ccccc1 ZINC000013013014 568901214 /nfs/dbraw/zinc/90/12/14/568901214.db2.gz URSFLKDTSIJDRI-UHFFFAOYSA-N 0 0 449.510 4.943 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCC(c3nc4ccccc4s3)CC2)C1 ZINC000013013440 568901556 /nfs/dbraw/zinc/90/15/56/568901556.db2.gz SZRKVUVYKKGOCW-KRWDZBQOSA-N 0 0 439.606 4.616 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000027839964 568905407 /nfs/dbraw/zinc/90/54/07/568905407.db2.gz LWHQQICNECELPM-KFNAQCHYSA-N 0 0 439.305 4.985 50 0 IJAARN O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000026604005 568905480 /nfs/dbraw/zinc/90/54/80/568905480.db2.gz ZFBPURINRJYPBM-YSSFQJQWSA-N 0 0 438.399 4.578 50 0 IJAARN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000001794935 568908007 /nfs/dbraw/zinc/90/80/07/568908007.db2.gz SICBDUNFXZZNJJ-HXUWFJFHSA-N 0 0 449.334 4.724 50 0 IJAARN Cc1ccc(N2Oc3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3[C@@H]2c2ccco2)cc1 ZINC000238923544 568910293 /nfs/dbraw/zinc/91/02/93/568910293.db2.gz OSIPTGSIYCIGGH-UFYCRDLUSA-N 0 0 442.393 4.658 50 0 IJAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1ccccn1 ZINC000001835219 568916261 /nfs/dbraw/zinc/91/62/61/568916261.db2.gz QEUTXHSKPGWBQK-REWPJTCUSA-N 0 0 445.544 4.552 50 0 biogenic IJAARN O=C(CNCc1ccco1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000001906785 568919543 /nfs/dbraw/zinc/91/95/43/568919543.db2.gz MHPBZXVTAQSVTE-UHFFFAOYSA-N 0 0 429.851 4.727 50 0 IJAARN CCc1cccc(NC(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(C)cc3)CC2)c1 ZINC000035769340 568919888 /nfs/dbraw/zinc/91/98/88/568919888.db2.gz QRLPMNJWRHQCGY-UHFFFAOYSA-N 0 0 443.595 4.909 50 0 IJAARN CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c23)cc1 ZINC000001911996 568922296 /nfs/dbraw/zinc/92/22/96/568922296.db2.gz KZOBYMOUCIQELH-UHFFFAOYSA-N 0 0 433.533 4.861 50 0 IJAARN CCc1nnc(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000252458440 568922874 /nfs/dbraw/zinc/92/28/74/568922874.db2.gz IFQZOLHYACMRGU-UHFFFAOYSA-N 0 0 433.459 4.545 50 0 IJAARN CN(C(=O)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1)c1ccccc1 ZINC000001954056 568923734 /nfs/dbraw/zinc/92/37/34/568923734.db2.gz PODYXIMHENQRMA-UHFFFAOYSA-N 0 0 437.927 4.527 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000001954105 568923865 /nfs/dbraw/zinc/92/38/65/568923865.db2.gz VHDSACFJJOTTLL-UHFFFAOYSA-N 0 0 441.890 4.642 50 0 IJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1cc(C)ccc1OC ZINC000016589860 568924338 /nfs/dbraw/zinc/92/43/38/568924338.db2.gz LUURWSFAPHDACH-UHFFFAOYSA-N 0 0 438.355 4.600 50 0 IJAARN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001115245 568924613 /nfs/dbraw/zinc/92/46/13/568924613.db2.gz CFDRDQYPNRWWAQ-GGAORHGYSA-N 0 0 427.504 4.955 50 0 biogenic IJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc2)C(C(=O)OC)=C1C ZINC000016609311 568925791 /nfs/dbraw/zinc/92/57/91/568925791.db2.gz DAVPIZHDEMFZMU-YCRPNKLZSA-N 0 0 445.629 4.786 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(SCc2ccc(OC[C@H]3CCCO3)cc2)n[nH]1 ZINC000089466086 568925889 /nfs/dbraw/zinc/92/58/89/568925889.db2.gz BQNIGFOFASXRNF-QGZVFWFLSA-N 0 0 431.945 4.984 50 0 IJAARN Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000035819019 568927428 /nfs/dbraw/zinc/92/74/28/568927428.db2.gz FQIRRBBJUACZDY-UHFFFAOYSA-N 0 0 443.334 4.566 50 0 IJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCCCCC3)c2c1C ZINC000006510295 568928029 /nfs/dbraw/zinc/92/80/29/568928029.db2.gz DNQZXTHNCXFJIF-UHFFFAOYSA-N 0 0 430.618 4.933 50 0 IJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC ZINC000064450227 568928693 /nfs/dbraw/zinc/92/86/93/568928693.db2.gz DEVLNTSOPZLCFX-SFHVURJKSA-N 0 0 433.508 4.514 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N2CCCC[C@H]2C)n1C1CCCCC1 ZINC000006522294 568929601 /nfs/dbraw/zinc/92/96/01/568929601.db2.gz GSBGQQQFZBTLTO-QGZVFWFLSA-N 0 0 428.602 4.952 50 0 IJAARN Cc1cc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)ccc1Br ZINC000064471896 568929929 /nfs/dbraw/zinc/92/99/29/568929929.db2.gz NRXYMSGUDUFVLX-UHFFFAOYSA-N 0 0 444.304 4.661 50 0 IJAARN CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558166 568932167 /nfs/dbraw/zinc/93/21/67/568932167.db2.gz WKFIDHBOYWWNBW-QFIPXVFZSA-N 0 0 433.529 4.889 50 0 IJAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)ncn2)cc1 ZINC000064568532 568933779 /nfs/dbraw/zinc/93/37/79/568933779.db2.gz WQQIVHYENHHQEG-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035978858 568936368 /nfs/dbraw/zinc/93/63/68/568936368.db2.gz FGRIAVDOJFXRGD-OAQYLSRUSA-N 0 0 434.540 4.590 50 0 IJAARN COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000016689801 568938293 /nfs/dbraw/zinc/93/82/93/568938293.db2.gz XWRVZWIVFZCVJE-KHYOSLBOSA-N 0 0 438.553 4.832 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C)c(C)c2)cc1 ZINC000064656879 568942343 /nfs/dbraw/zinc/94/23/43/568942343.db2.gz SQKBBNQBKYRHDL-SFHVURJKSA-N 0 0 427.547 4.680 50 0 IJAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000064670085 568943645 /nfs/dbraw/zinc/94/36/45/568943645.db2.gz WMQOHZRSVDRPRZ-UHFFFAOYSA-N 0 0 442.606 4.771 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000064677180 568943841 /nfs/dbraw/zinc/94/38/41/568943841.db2.gz KXYZLXZWTOCLER-UHFFFAOYSA-N 0 0 446.551 4.767 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2c3cccnc3sc2c(=O)n1CC(C)C ZINC000064699806 568944384 /nfs/dbraw/zinc/94/43/84/568944384.db2.gz RROCCJWEFOWSSM-UHFFFAOYSA-N 0 0 438.578 4.701 50 0 IJAARN CCCCNC(=O)CN(C)c1nn2c(nc(-c3ccc(CC)cc3)c2NC(C)(C)C)s1 ZINC000064703794 568944476 /nfs/dbraw/zinc/94/44/76/568944476.db2.gz XXTBHLVQYZGHHN-UHFFFAOYSA-N 0 0 442.633 4.583 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c(Cl)c1 ZINC000064712237 568944768 /nfs/dbraw/zinc/94/47/68/568944768.db2.gz WUXSOEPKHBXCTR-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN CCOC(=O)CN(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000036067067 568945114 /nfs/dbraw/zinc/94/51/14/568945114.db2.gz LXVQEWZCYMDDRN-DEOSSOPVSA-N 0 0 442.987 4.895 50 0 IJAARN Cc1cccc(Oc2cnn(C)c(=O)c2Nc2ccc(C(=O)NCCC(C)C)cc2)c1C ZINC000036073283 568945714 /nfs/dbraw/zinc/94/57/14/568945714.db2.gz PZDWXSMHKVATBZ-UHFFFAOYSA-N 0 0 434.540 4.709 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C(F)(F)F)c2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000036083451 568947004 /nfs/dbraw/zinc/94/70/04/568947004.db2.gz FQQGSQRYIUKOFF-HXUWFJFHSA-N 0 0 448.441 4.606 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2OC)no1 ZINC000064747592 568950077 /nfs/dbraw/zinc/95/00/77/568950077.db2.gz RDMDWZPBIOYUKN-INIZCTEOSA-N 0 0 428.876 4.776 50 0 IJAARN O=C(Nc1ccccc1)c1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 ZINC000064754585 568950758 /nfs/dbraw/zinc/95/07/58/568950758.db2.gz DXQCWEFIGSLRGL-KRWDZBQOSA-N 0 0 433.895 4.584 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000064754596 568951036 /nfs/dbraw/zinc/95/10/36/568951036.db2.gz NMBOVUXQTDXWJV-GOSISDBHSA-N 0 0 447.922 4.892 50 0 IJAARN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000064758886 568951644 /nfs/dbraw/zinc/95/16/44/568951644.db2.gz IBRFZFZWYYCCGQ-UHFFFAOYSA-N 0 0 437.906 4.616 50 0 IJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000064761849 568952752 /nfs/dbraw/zinc/95/27/52/568952752.db2.gz UMNMCXRYGQSKMT-INIZCTEOSA-N 0 0 433.270 4.826 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O ZINC000064775531 568954717 /nfs/dbraw/zinc/95/47/17/568954717.db2.gz JQKGKDPGPFBCLA-AWEZNQCLSA-N 0 0 426.394 4.559 50 0 IJAARN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C1CC1 ZINC000036119706 568956848 /nfs/dbraw/zinc/95/68/48/568956848.db2.gz JDTTUASXHILUDR-QFIPXVFZSA-N 0 0 440.609 4.538 50 0 IJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 ZINC000036120049 568957029 /nfs/dbraw/zinc/95/70/29/568957029.db2.gz OSNKUFMYAAHIQU-OAQYLSRUSA-N 0 0 442.625 4.844 50 0 IJAARN COc1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)cc1F ZINC000064794125 568959965 /nfs/dbraw/zinc/95/99/65/568959965.db2.gz DUUPNMPNUBFALY-UHFFFAOYSA-N 0 0 427.530 4.912 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(N2CCOCC2)n1 ZINC000064801332 568961063 /nfs/dbraw/zinc/96/10/63/568961063.db2.gz OYJNGCPXOLAFNA-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)n2)cc1 ZINC000064800006 568961326 /nfs/dbraw/zinc/96/13/26/568961326.db2.gz UJPDUQNGYCQLKA-UHFFFAOYSA-N 0 0 439.922 4.592 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152533 568963639 /nfs/dbraw/zinc/96/36/39/568963639.db2.gz KQRAJJBQLOOXAX-XMMPIXPASA-N 0 0 434.948 4.929 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccc(F)cc1 ZINC000036152662 568963642 /nfs/dbraw/zinc/96/36/42/568963642.db2.gz OMCHXAXRSJZQHH-HSZRJFAPSA-N 0 0 438.549 4.784 50 0 IJAARN COCCN(Cc1nccn1Cc1c(C)cc(C)cc1C)C(=O)c1ccc(Cl)cc1 ZINC000006724022 568964143 /nfs/dbraw/zinc/96/41/43/568964143.db2.gz XMHNBICKOKMRHL-UHFFFAOYSA-N 0 0 425.960 4.799 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000064817242 568964353 /nfs/dbraw/zinc/96/43/53/568964353.db2.gz CLGFSNJIVIGNKD-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c(C)c1 ZINC000064819164 568965998 /nfs/dbraw/zinc/96/59/98/568965998.db2.gz YIGKISQYFMKUIF-UHFFFAOYSA-N 0 0 429.446 4.620 50 0 IJAARN O=C(c1ccccc1Br)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818283 568966371 /nfs/dbraw/zinc/96/63/71/568966371.db2.gz KJIBAXNIQRDJQF-UHFFFAOYSA-N 0 0 430.277 4.658 50 0 IJAARN CCOc1ccc(C(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1OCC ZINC000064818291 568966421 /nfs/dbraw/zinc/96/64/21/568966421.db2.gz WFPJRNLTTBOZLC-UHFFFAOYSA-N 0 0 439.487 4.693 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164296 568967964 /nfs/dbraw/zinc/96/79/64/568967964.db2.gz IMZQYKJZYXWXKN-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1cccc(OCc2nc(CCN(C)C(=O)Nc3cccc(C(F)(F)F)c3)no2)c1 ZINC000064840286 568969658 /nfs/dbraw/zinc/96/96/58/568969658.db2.gz JQNFSODGLCIQTH-UHFFFAOYSA-N 0 0 434.418 4.682 50 0 IJAARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)Nc1cccc(Br)c1 ZINC000064839965 568969691 /nfs/dbraw/zinc/96/96/91/568969691.db2.gz BYUWNUANTYAOJZ-UHFFFAOYSA-N 0 0 435.709 4.859 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)cc1F ZINC000036188977 568970865 /nfs/dbraw/zinc/97/08/65/568970865.db2.gz NKJTVXICTYNITH-ZQGRQUNCSA-N 0 0 436.524 4.629 50 0 IJAARN CCc1ccccc1NC(=O)[C@H](CC)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842397 568970918 /nfs/dbraw/zinc/97/09/18/568970918.db2.gz DDXSCOJJOAGGLX-FQEVSTJZSA-N 0 0 446.507 4.521 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842792 568971057 /nfs/dbraw/zinc/97/10/57/568971057.db2.gz CSYBILZVDMKPQK-FQEVSTJZSA-N 0 0 446.507 4.575 50 0 IJAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847771 568971236 /nfs/dbraw/zinc/97/12/36/568971236.db2.gz ADUUHOVPSQVSCD-OAHLLOKOSA-N 0 0 443.931 4.630 50 0 IJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)N2 ZINC000064848170 568971515 /nfs/dbraw/zinc/97/15/15/568971515.db2.gz FHJFNDOLUHIBPW-UHFFFAOYSA-N 0 0 448.013 4.915 50 0 biogenic IJAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21 ZINC000064862327 568974068 /nfs/dbraw/zinc/97/40/68/568974068.db2.gz MYOSHSJHGSATRW-UHFFFAOYSA-N 0 0 433.961 4.546 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=Nc2ccccc2N1 ZINC000064869510 568976231 /nfs/dbraw/zinc/97/62/31/568976231.db2.gz XPBYCLRIUFCOQV-UHFFFAOYSA-N 0 0 449.454 4.980 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)n2)c1 ZINC000064873207 568978285 /nfs/dbraw/zinc/97/82/85/568978285.db2.gz NEGBISNKHSKHMH-UHFFFAOYSA-N 0 0 439.515 4.989 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCCOC)C(=O)Cc1ccccc1 ZINC000036245874 568981450 /nfs/dbraw/zinc/98/14/50/568981450.db2.gz MBYOREAJVVCZLL-UHFFFAOYSA-N 0 0 435.568 4.796 50 0 IJAARN COc1cccc([C@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246910 568982138 /nfs/dbraw/zinc/98/21/38/568982138.db2.gz GUZFENOFJXBREP-INIZCTEOSA-N 0 0 445.512 4.808 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000036247747 568982404 /nfs/dbraw/zinc/98/24/04/568982404.db2.gz RIPLSBAMARQLBO-MRXNPFEDSA-N 0 0 445.512 4.808 50 0 IJAARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC000036248448 568982751 /nfs/dbraw/zinc/98/27/51/568982751.db2.gz OWNUDENIXMOGIS-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CCOCC2)CC2CC2)cc1 ZINC000036249304 568983189 /nfs/dbraw/zinc/98/31/89/568983189.db2.gz RBIHFWIGRIJWTF-UHFFFAOYSA-N 0 0 449.526 4.678 50 0 IJAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1 ZINC000036249601 568984084 /nfs/dbraw/zinc/98/40/84/568984084.db2.gz QUXNVKKAUFHCCM-UHFFFAOYSA-N 0 0 425.579 4.761 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064930169 568987981 /nfs/dbraw/zinc/98/79/81/568987981.db2.gz GFSYXPSTMAAHMG-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1F ZINC000064930394 568988939 /nfs/dbraw/zinc/98/89/39/568988939.db2.gz YXAXSXBYAUGHTL-QGZVFWFLSA-N 0 0 443.479 4.746 50 0 IJAARN COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@@H]23)c1 ZINC000169678554 568990009 /nfs/dbraw/zinc/99/00/09/568990009.db2.gz FBZTUGNDSJXJNF-ZCYQVOJMSA-N 0 0 447.966 4.855 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)cc1C ZINC000064942703 568992229 /nfs/dbraw/zinc/99/22/29/568992229.db2.gz RZUHSJCZDQXHMI-UHFFFAOYSA-N 0 0 445.338 4.546 50 0 IJAARN Cc1ccc(CNc2ccc(SCC(=O)Nc3ccc(Br)cc3)nn2)cc1 ZINC000064944883 568993383 /nfs/dbraw/zinc/99/33/83/568993383.db2.gz ALYZFTRGQWLWIM-UHFFFAOYSA-N 0 0 443.370 4.890 50 0 IJAARN Cc1c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948599 568994405 /nfs/dbraw/zinc/99/44/05/568994405.db2.gz UHHUZTZZDSVYCW-UHFFFAOYSA-N 0 0 446.488 4.962 50 0 IJAARN CCCCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccncc4)no3)c(C)c2c1 ZINC000064948619 568994469 /nfs/dbraw/zinc/99/44/69/568994469.db2.gz SMSQQQLAZFVWGY-UHFFFAOYSA-N 0 0 440.525 4.664 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2oc1-c1nc(-c2cccs2)no1 ZINC000064948558 568994538 /nfs/dbraw/zinc/99/45/38/568994538.db2.gz NEKNBYIEPSLKPC-UHFFFAOYSA-N 0 0 443.550 4.940 50 0 IJAARN Cc1c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2oc1-c1nc(-c2ccncc2)no1 ZINC000064948588 568994545 /nfs/dbraw/zinc/99/45/45/568994545.db2.gz KITMRMKMRFIZDN-UHFFFAOYSA-N 0 0 446.488 4.962 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)c1 ZINC000064949309 568995027 /nfs/dbraw/zinc/99/50/27/568995027.db2.gz OOBPPENAWDLEMB-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN COc1cccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)c1 ZINC000064949718 568995333 /nfs/dbraw/zinc/99/53/33/568995333.db2.gz QWZPMIYWEJJPFF-UHFFFAOYSA-N 0 0 430.851 4.765 50 0 IJAARN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308587 568995592 /nfs/dbraw/zinc/99/55/92/568995592.db2.gz LDSOTLYOWRTZTJ-UPVQGACJSA-N 0 0 435.568 4.725 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957126 568999449 /nfs/dbraw/zinc/99/94/49/568999449.db2.gz OGINAVJPRAHHGY-UHFFFAOYSA-N 0 0 430.483 4.984 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccccc2F)c1C ZINC000064967452 569001252 /nfs/dbraw/zinc/00/12/52/569001252.db2.gz KGWLBZLUVVIPFX-UHFFFAOYSA-N 0 0 425.851 4.643 50 0 IJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000064969137 569076088 /nfs/dbraw/zinc/07/60/88/569076088.db2.gz WKSLGJMSMBDLIN-UHFFFAOYSA-N 0 0 429.564 4.658 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970953 569076369 /nfs/dbraw/zinc/07/63/69/569076369.db2.gz KDVNSFFNSXEWOP-QFIPXVFZSA-N 0 0 443.551 4.912 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1Cl ZINC000064971753 569076863 /nfs/dbraw/zinc/07/68/63/569076863.db2.gz VXGCGOVMDWXBFT-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000064972411 569076881 /nfs/dbraw/zinc/07/68/81/569076881.db2.gz QHYNJZQOTZGMKB-RUZDIDTESA-N 0 0 448.588 4.873 50 0 IJAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(C)cc4C)oc3C)ccn2n1 ZINC000064977336 569077024 /nfs/dbraw/zinc/07/70/24/569077024.db2.gz RCGRCEIQQAAMOF-UHFFFAOYSA-N 0 0 440.503 4.800 50 0 IJAARN CCOc1ccc(CNC(=O)c2cccc(NC(=O)c3nsc4ccccc43)c2)cc1 ZINC000064972570 569077068 /nfs/dbraw/zinc/07/70/68/569077068.db2.gz LCGVNUXLLFHNTR-UHFFFAOYSA-N 0 0 431.517 4.877 50 0 IJAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000064977471 569077151 /nfs/dbraw/zinc/07/71/51/569077151.db2.gz AKBVCWQAQKNISI-UHFFFAOYSA-N 0 0 440.503 4.962 50 0 IJAARN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000064979452 569077823 /nfs/dbraw/zinc/07/78/23/569077823.db2.gz GRYMUJGTGGHJSK-UHFFFAOYSA-N 0 0 437.315 4.530 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036341367 569079320 /nfs/dbraw/zinc/07/93/20/569079320.db2.gz NRJURFZFJRYGGX-VWLOTQADSA-N 0 0 443.522 4.570 50 0 IJAARN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345900 569080839 /nfs/dbraw/zinc/08/08/39/569080839.db2.gz CAWATCGPQJISDG-QHCPKHFHSA-N 0 0 435.568 4.643 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(Oc4ccccc4)cc3)c2)C1 ZINC000036349095 569081780 /nfs/dbraw/zinc/08/17/80/569081780.db2.gz CSRSWCRLVFFLTC-HXUWFJFHSA-N 0 0 430.504 4.956 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1)n1c2ccccc2nc(N(C(C)=O)C2CCCCC2)c1=O ZINC000064987684 569082687 /nfs/dbraw/zinc/08/26/87/569082687.db2.gz SPSVBLPBBRFISZ-QFIPXVFZSA-N 0 0 446.551 4.672 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000064988825 569082937 /nfs/dbraw/zinc/08/29/37/569082937.db2.gz TVEWHUWCUOCDSA-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4cc(Cl)ccc4C)CC3)C2=O)c1 ZINC000064989026 569082961 /nfs/dbraw/zinc/08/29/61/569082961.db2.gz IIJSXMKFSQGRPR-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN C[C@H]1Cc2ccc(CNC(=O)c3ccc(Br)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989873 569083142 /nfs/dbraw/zinc/08/31/42/569083142.db2.gz CKNACLKPBOPTJI-INIZCTEOSA-N 0 0 449.348 4.971 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000064990310 569083224 /nfs/dbraw/zinc/08/32/24/569083224.db2.gz OWTVUDJTOBADOO-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN C[C@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 ZINC000064990286 569083233 /nfs/dbraw/zinc/08/32/33/569083233.db2.gz MUDZVPUEVMASIG-SFHVURJKSA-N 0 0 448.563 4.967 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)CSc4ccccc4)ccc3C[C@H]2C)cc1 ZINC000064990247 569083264 /nfs/dbraw/zinc/08/32/64/569083264.db2.gz CLGFIRZOIMQCGB-GOSISDBHSA-N 0 0 446.572 4.695 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990528 569083369 /nfs/dbraw/zinc/08/33/69/569083369.db2.gz NIPVKGYVLBTSCS-QGZVFWFLSA-N 0 0 445.519 4.617 50 0 IJAARN COc1cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc(OC)c1 ZINC000064990898 569083461 /nfs/dbraw/zinc/08/34/61/569083461.db2.gz LNZZPCHYLRZUST-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990840 569083472 /nfs/dbraw/zinc/08/34/72/569083472.db2.gz DUWQVSJNAVIOKV-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000064999086 569085653 /nfs/dbraw/zinc/08/56/53/569085653.db2.gz JNDLDBQIVHDSOF-UHFFFAOYSA-N 0 0 427.460 4.550 50 0 IJAARN Cc1ccc(N(C)C(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1C ZINC000065000662 569086015 /nfs/dbraw/zinc/08/60/15/569086015.db2.gz LLIHGTRVAUMVGN-UHFFFAOYSA-N 0 0 428.532 4.886 50 0 IJAARN CCN(C(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2)c1cccc(C)c1 ZINC000065000669 569086079 /nfs/dbraw/zinc/08/60/79/569086079.db2.gz AJQNBUGSCNXPBH-UHFFFAOYSA-N 0 0 428.532 4.968 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999520 569086145 /nfs/dbraw/zinc/08/61/45/569086145.db2.gz OKKRKKZEXNTQGV-UHFFFAOYSA-N 0 0 432.611 4.652 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1Cl ZINC000065023361 569089223 /nfs/dbraw/zinc/08/92/23/569089223.db2.gz BYHBAIIYDUHQEJ-SFHVURJKSA-N 0 0 436.943 4.969 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023537 569089301 /nfs/dbraw/zinc/08/93/01/569089301.db2.gz CAZHSMFURFSDAK-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN CCCOc1c2cc(NC(=O)Nc3ccc4c(c3)OCCO4)ccc2sc1C(=O)OC ZINC000065022985 569089865 /nfs/dbraw/zinc/08/98/65/569089865.db2.gz CUZBSKYUNUHUBC-UHFFFAOYSA-N 0 0 442.493 4.892 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)cc1 ZINC000065027059 569090122 /nfs/dbraw/zinc/09/01/22/569090122.db2.gz QZSUTNFIADYYDL-UHFFFAOYSA-N 0 0 433.508 4.877 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000036383516 569092617 /nfs/dbraw/zinc/09/26/17/569092617.db2.gz LWKDJXLYMJUPMP-QHCPKHFHSA-N 0 0 429.545 4.611 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1 ZINC000169759703 569094686 /nfs/dbraw/zinc/09/46/86/569094686.db2.gz MGTQCFWFHSQCER-JOCHJYFZSA-N 0 0 425.916 4.525 50 0 IJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccccc3Br)C2)cc1 ZINC000065059051 569095899 /nfs/dbraw/zinc/09/58/99/569095899.db2.gz ARLDCJDEEONRCV-JOCHJYFZSA-N 0 0 444.373 4.708 50 0 IJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccccc3Br)C2)cc1 ZINC000065059052 569095975 /nfs/dbraw/zinc/09/59/75/569095975.db2.gz ARLDCJDEEONRCV-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(C)cc2)C1 ZINC000065059034 569095994 /nfs/dbraw/zinc/09/59/94/569095994.db2.gz ARFQZWDYTWNROT-QHCPKHFHSA-N 0 0 429.948 4.607 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1NS(C)(=O)=O ZINC000036391067 569097226 /nfs/dbraw/zinc/09/72/26/569097226.db2.gz FRLBZSSHDCVMGY-HSZRJFAPSA-N 0 0 434.517 4.632 50 0 IJAARN C[C@H]1CCN(C(=O)CCNC(=O)Cc2ccccc2)c2cc(C(F)(F)F)ccc2S1 ZINC000036391701 569098177 /nfs/dbraw/zinc/09/81/77/569098177.db2.gz UZIQPNINJDHLNO-HNNXBMFYSA-N 0 0 436.499 4.672 50 0 IJAARN Cc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2cc(F)cc(F)c2)cc1 ZINC000065074921 569099260 /nfs/dbraw/zinc/09/92/60/569099260.db2.gz AFRCEJFXTCAEIS-AREMUKBSSA-N 0 0 434.486 4.547 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075177 569099488 /nfs/dbraw/zinc/09/94/88/569099488.db2.gz SHJKBNKYZQRELF-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000065075289 569099531 /nfs/dbraw/zinc/09/95/31/569099531.db2.gz GRRASOYQCFAHGS-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(OC)c(Cl)c4)csc3n2)cc1 ZINC000065079319 569100844 /nfs/dbraw/zinc/10/08/44/569100844.db2.gz LYCMXYTWIVIINS-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)sc12 ZINC000065081277 569101511 /nfs/dbraw/zinc/10/15/11/569101511.db2.gz RCRVLYFIVRNZOT-HXUWFJFHSA-N 0 0 445.592 4.632 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 ZINC000065083136 569102160 /nfs/dbraw/zinc/10/21/60/569102160.db2.gz NVDXJFACCBLVFW-UHFFFAOYSA-N 0 0 438.318 4.609 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NC1CCCCCC1)CO2)c1cccc(Cl)c1 ZINC000065082743 569102404 /nfs/dbraw/zinc/10/24/04/569102404.db2.gz HSKYZEDHVITTOL-GOSISDBHSA-N 0 0 426.944 4.982 50 0 IJAARN Fc1cccc(-c2noc(-c3ccc(N4CCN(c5ccc(Cl)cc5)CC4)nc3)n2)c1 ZINC000065097894 569104121 /nfs/dbraw/zinc/10/41/21/569104121.db2.gz ZXOITIBHUQUMCP-UHFFFAOYSA-N 0 0 435.890 4.918 50 0 IJAARN COc1cc(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c(OC)cc1Cl ZINC000065102737 569106265 /nfs/dbraw/zinc/10/62/65/569106265.db2.gz PPHNLBZOQAZRGM-UHFFFAOYSA-N 0 0 445.928 4.979 50 0 IJAARN Cc1ccc(-c2noc(-c3nn(CC(=O)NCc4ccc(F)cc4)c4ccccc43)n2)cc1 ZINC000065111290 569106329 /nfs/dbraw/zinc/10/63/29/569106329.db2.gz JQZKLGCHLBMYOB-UHFFFAOYSA-N 0 0 441.466 4.517 50 0 IJAARN Cc1cccc(-c2noc(-c3nn(CC(=O)N(C)Cc4ccccc4)c4ccccc43)n2)c1 ZINC000065111314 569106432 /nfs/dbraw/zinc/10/64/32/569106432.db2.gz IUZITOVUJKTKHQ-UHFFFAOYSA-N 0 0 437.503 4.720 50 0 IJAARN CCc1csc(-c2csc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)c2)n1 ZINC000065116823 569107529 /nfs/dbraw/zinc/10/75/29/569107529.db2.gz KYLFBRFTFACUSZ-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000065111554 569107632 /nfs/dbraw/zinc/10/76/32/569107632.db2.gz AHJXSQXYTQIHCL-UHFFFAOYSA-N 0 0 432.524 4.838 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)c1 ZINC000065111588 569107665 /nfs/dbraw/zinc/10/76/65/569107665.db2.gz WZWBLFNQVGCPBG-MRXNPFEDSA-N 0 0 438.915 4.758 50 0 IJAARN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134151 569110071 /nfs/dbraw/zinc/11/00/71/569110071.db2.gz DQRJXWCSUROTJA-UHFFFAOYSA-N 0 0 435.833 4.819 50 0 IJAARN Cc1cc(OCC(=O)NCCCc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134154 569110158 /nfs/dbraw/zinc/11/01/58/569110158.db2.gz MAVMXJAOLUVQJJ-UHFFFAOYSA-N 0 0 429.442 4.599 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCC[C@H](c2ccnc(Nc3ccccc3F)n2)C1 ZINC000065148501 569110830 /nfs/dbraw/zinc/11/08/30/569110830.db2.gz YEVFHCMDTUTGJC-ZDUSSCGKSA-N 0 0 445.292 4.735 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCCC1 ZINC000065178872 569114553 /nfs/dbraw/zinc/11/45/53/569114553.db2.gz UETLUALOBJZUHR-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2 ZINC000065201183 569115303 /nfs/dbraw/zinc/11/53/03/569115303.db2.gz LLJXJOOUQSHLAH-UHFFFAOYSA-N 0 0 428.916 4.669 50 0 IJAARN COc1cccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)no3)s2)c1OC ZINC000065195968 569115608 /nfs/dbraw/zinc/11/56/08/569115608.db2.gz QUZBMMNTJSYUOT-UHFFFAOYSA-N 0 0 439.468 4.551 50 0 IJAARN O=C(NCc1ccccc1C(F)(F)F)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2 ZINC000065201187 569115898 /nfs/dbraw/zinc/11/58/98/569115898.db2.gz YQINTVRUJODMDM-UHFFFAOYSA-N 0 0 444.478 4.895 50 0 IJAARN O=C(Cc1ccccc1Cl)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209260 569116125 /nfs/dbraw/zinc/11/61/25/569116125.db2.gz ABILTUSDXUSIKQ-OAQYLSRUSA-N 0 0 438.959 4.746 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CC4)cn32)cc1 ZINC000065209852 569116450 /nfs/dbraw/zinc/11/64/50/569116450.db2.gz CXFRFTHOHOGMIN-UHFFFAOYSA-N 0 0 425.492 4.560 50 0 IJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000065219031 569117387 /nfs/dbraw/zinc/11/73/87/569117387.db2.gz WTAULNWUCZHKIS-UHFFFAOYSA-N 0 0 439.468 4.803 50 0 IJAARN COc1cc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc(OC)c1 ZINC000065219113 569117392 /nfs/dbraw/zinc/11/73/92/569117392.db2.gz ZNVXQQMISYROGS-UHFFFAOYSA-N 0 0 439.468 4.803 50 0 IJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3N3CCCC3)c12 ZINC000036615883 569122629 /nfs/dbraw/zinc/12/26/29/569122629.db2.gz XDXNPBHYUHDNMX-UHFFFAOYSA-N 0 0 431.565 4.535 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3c(C)nn(C)c3n2)c1 ZINC000036616076 569122754 /nfs/dbraw/zinc/12/27/54/569122754.db2.gz LVBPHXLCCAKIFC-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN CCn1cc([C@@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)c2ccc(Cl)cc2)cn1 ZINC000036612095 569123652 /nfs/dbraw/zinc/12/36/52/569123652.db2.gz OQBBWIKOSGORJL-HSZRJFAPSA-N 0 0 434.927 4.834 50 0 IJAARN CN1c2ccc(NC(=O)c3ccc(Br)cc3)cc2Sc2ncccc2C1=O ZINC000065258336 569124446 /nfs/dbraw/zinc/12/44/46/569124446.db2.gz IWDOHQIKAGPXSC-UHFFFAOYSA-N 0 0 440.322 4.838 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c(OC)c1 ZINC000065258529 569124447 /nfs/dbraw/zinc/12/44/47/569124447.db2.gz XOZWHQSDMHHOLI-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN CCn1ncc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c32)c1C ZINC000036619060 569124601 /nfs/dbraw/zinc/12/46/01/569124601.db2.gz MASIPVTUMGGBOU-AWEZNQCLSA-N 0 0 445.523 4.792 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC(C)(C)C ZINC000065260141 569125029 /nfs/dbraw/zinc/12/50/29/569125029.db2.gz DTTAPDOZVNUGLF-VWLOTQADSA-N 0 0 435.572 4.914 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3C)cc2c1C ZINC000036621025 569126049 /nfs/dbraw/zinc/12/60/49/569126049.db2.gz JZDFAQKXDXBPRH-HXUWFJFHSA-N 0 0 427.522 4.752 50 0 IJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1cccc(C(F)(F)F)c1 ZINC000065272320 569128972 /nfs/dbraw/zinc/12/89/72/569128972.db2.gz BBOMQFMVZADHCW-UHFFFAOYSA-N 0 0 426.398 4.799 50 0 IJAARN COc1ccc(NC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)c(OC)c1 ZINC000065297683 569131857 /nfs/dbraw/zinc/13/18/57/569131857.db2.gz OQZVWCXNYOWZNG-UHFFFAOYSA-N 0 0 427.526 4.541 50 0 IJAARN CCC(CC)C(=O)N1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(C)c2)CC1 ZINC000065300392 569132252 /nfs/dbraw/zinc/13/22/52/569132252.db2.gz MFEBTDRYYUQNBL-UHFFFAOYSA-N 0 0 425.602 4.574 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NC(=O)NCc3ccc(OC)c(OC)c3)cc2C1=O ZINC000036705405 569134357 /nfs/dbraw/zinc/13/43/57/569134357.db2.gz DEFJDHZBSGJKJR-UHFFFAOYSA-N 0 0 447.491 4.798 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000065315004 569135732 /nfs/dbraw/zinc/13/57/32/569135732.db2.gz GPTPKEIANOMEIK-CYBMUJFWSA-N 0 0 440.908 4.838 50 0 IJAARN Cc1ccccc1-c1noc([C@H]2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)n1 ZINC000065320770 569136276 /nfs/dbraw/zinc/13/62/76/569136276.db2.gz AXDCGJGDOFSLPS-OAQYLSRUSA-N 0 0 425.554 4.769 50 0 IJAARN COc1ccc(-c2ncc3c(ncnc3SCC(=O)Nc3cccc(SC)c3)n2)cc1 ZINC000065320928 569136353 /nfs/dbraw/zinc/13/63/53/569136353.db2.gz RGBISEXUYZIYQS-UHFFFAOYSA-N 0 0 449.561 4.548 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C(C)C)cc1OC ZINC000065322275 569136603 /nfs/dbraw/zinc/13/66/03/569136603.db2.gz JVKGSSOAXAGERU-UHFFFAOYSA-N 0 0 436.556 4.873 50 0 IJAARN O=c1cc(-c2ccccn2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]1 ZINC000065330940 569137012 /nfs/dbraw/zinc/13/70/12/569137012.db2.gz BJKPMIHJVUEVTO-UHFFFAOYSA-N 0 0 431.399 4.605 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=S)N[C@H]1c1cccc(Cl)c1 ZINC000036785780 569137824 /nfs/dbraw/zinc/13/78/24/569137824.db2.gz KVTPHWFDJKHBOU-FQEVSTJZSA-N 0 0 427.957 4.655 50 0 IJAARN Cc1ccc(C)n1-c1sc(C)c(C)c1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000065513481 569139070 /nfs/dbraw/zinc/13/90/70/569139070.db2.gz YCFXPEMOKCYSHR-UHFFFAOYSA-N 0 0 431.583 4.705 50 0 IJAARN Cn1c2ccccc2nc1-c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000065590932 569139957 /nfs/dbraw/zinc/13/99/57/569139957.db2.gz GCMQHUFCRLRAJH-UHFFFAOYSA-N 0 0 434.540 4.826 50 0 IJAARN Cc1cccc(C)c1OCC(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000170599493 569142592 /nfs/dbraw/zinc/14/25/92/569142592.db2.gz KSCJKESMEXPSRE-UHFFFAOYSA-N 0 0 425.479 4.757 50 0 IJAARN CC(C)[C@@H](c1nc(-c2cccc(Br)c2)no1)S(=O)(=O)C1CCCCC1 ZINC000170606709 569144401 /nfs/dbraw/zinc/14/44/01/569144401.db2.gz ICADENVSTMEBDP-INIZCTEOSA-N 0 0 427.364 4.944 50 0 IJAARN O=C(N[C@@H]1CCc2c1cccc2Cl)c1nc(Br)ccc1Br ZINC000170611123 569145118 /nfs/dbraw/zinc/14/51/18/569145118.db2.gz YQDZPXZVLOJDJQ-GFCCVEGCSA-N 0 0 430.527 4.677 50 0 IJAARN CC(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000037276757 569145327 /nfs/dbraw/zinc/14/53/27/569145327.db2.gz ZNUYOIJMJPZBNX-UHFFFAOYSA-N 0 0 427.976 4.515 50 0 IJAARN CC(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000037276743 569145365 /nfs/dbraw/zinc/14/53/65/569145365.db2.gz DLCVVGMERFPDSQ-UHFFFAOYSA-N 0 0 427.976 4.515 50 0 IJAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000037276516 569145375 /nfs/dbraw/zinc/14/53/75/569145375.db2.gz WNRDESZWYMPECB-OAQYLSRUSA-N 0 0 441.575 4.885 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NC1CC1 ZINC000037280727 569145726 /nfs/dbraw/zinc/14/57/26/569145726.db2.gz AWBVOBOLMLABHN-AHWVRZQESA-N 0 0 434.580 4.643 50 0 IJAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1S(=O)(=O)c1ccccc1 ZINC000170612675 569146153 /nfs/dbraw/zinc/14/61/53/569146153.db2.gz UAIZJYHBUTWXSJ-OAQYLSRUSA-N 0 0 426.925 4.889 50 0 IJAARN Cc1cc(C(=O)N2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1NC(=O)CC(C)C ZINC000170614478 569146415 /nfs/dbraw/zinc/14/64/15/569146415.db2.gz BMCWCKUJJLINHT-RUZDIDTESA-N 0 0 443.588 4.595 50 0 IJAARN C[C@H](NC(=O)NC1(c2ccc(Br)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000170621151 569147616 /nfs/dbraw/zinc/14/76/16/569147616.db2.gz OTKQWHRVLRDVQE-AWEZNQCLSA-N 0 0 431.330 4.660 50 0 IJAARN O=C(Oc1ccccc1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000170624916 569148081 /nfs/dbraw/zinc/14/80/81/569148081.db2.gz RIJQGLZELKUMSE-QZTJIDSGSA-N 0 0 433.335 4.830 50 0 IJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000009870371 569149438 /nfs/dbraw/zinc/14/94/38/569149438.db2.gz SGPKCGKDYXNKGD-UHFFFAOYSA-N 0 0 442.515 4.561 50 0 IJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1-c1ccccc1 ZINC000009870282 569149448 /nfs/dbraw/zinc/14/94/48/569149448.db2.gz ICEKFCFREOMSIW-GOSISDBHSA-N 0 0 444.560 4.901 50 0 IJAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000009882547 569149679 /nfs/dbraw/zinc/14/96/79/569149679.db2.gz KUCYNALADJAKJN-UHFFFAOYSA-N 0 0 449.557 4.891 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(C)n1C[C@H]1CCCO1 ZINC000009909420 569150370 /nfs/dbraw/zinc/15/03/70/569150370.db2.gz FWNPTNBKNKQBDV-QGZVFWFLSA-N 0 0 446.573 4.993 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000010059121 569152115 /nfs/dbraw/zinc/15/21/15/569152115.db2.gz XJYAAILPFOWMBY-QFIPXVFZSA-N 0 0 430.342 4.673 50 0 IJAARN COc1ccc(CN(Cc2cccs2)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC ZINC000010220032 569152796 /nfs/dbraw/zinc/15/27/96/569152796.db2.gz UCROAKCUFKKZFB-UHFFFAOYSA-N 0 0 426.538 4.755 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)c2ccccc2)c1 ZINC000071821946 569154611 /nfs/dbraw/zinc/15/46/11/569154611.db2.gz CDIHSRHTPGZIAA-DNQXCXABSA-N 0 0 446.478 4.859 50 0 IJAARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(Cc4cccs4)CC3)c2c1 ZINC000013321669 569155016 /nfs/dbraw/zinc/15/50/16/569155016.db2.gz ZETBCZATLLGBFE-UHFFFAOYSA-N 0 0 428.561 4.625 50 0 IJAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000013696209 569156522 /nfs/dbraw/zinc/15/65/22/569156522.db2.gz JWWZZHNHQYGPEN-UHFFFAOYSA-N 0 0 436.917 4.544 50 0 IJAARN O=C(Nc1ccccc1Br)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000013745392 569156928 /nfs/dbraw/zinc/15/69/28/569156928.db2.gz AWMIVAYBNAGNAL-UHFFFAOYSA-N 0 0 426.717 4.591 50 0 IJAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N(Cc3ccccc3)c3ccccc3)cn2)cc1 ZINC000013809345 569157168 /nfs/dbraw/zinc/15/71/68/569157168.db2.gz SNYUTQDZOQKRLI-UHFFFAOYSA-N 0 0 439.515 4.542 50 0 IJAARN COc1ccccc1CC(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000013952683 569157398 /nfs/dbraw/zinc/15/73/98/569157398.db2.gz DEOXWRCLGJVBNI-UHFFFAOYSA-N 0 0 441.516 4.710 50 0 IJAARN Cc1nc2cc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)ccc2n1-c1ccccc1 ZINC000014399734 569158908 /nfs/dbraw/zinc/15/89/08/569158908.db2.gz WFAQJVLJDNQYEA-DEOSSOPVSA-N 0 0 439.494 4.726 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3)ncn2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037342170 569159698 /nfs/dbraw/zinc/15/96/98/569159698.db2.gz XOGUVSMQPLGZHE-OAHLLOKOSA-N 0 0 443.334 4.927 50 0 IJAARN COc1cccc([C@@H]2CC(c3ccsc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000089638863 569160245 /nfs/dbraw/zinc/16/02/45/569160245.db2.gz QHRIQWZIGJBOQP-FQEVSTJZSA-N 0 0 442.562 4.614 50 0 IJAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000016740594 569160844 /nfs/dbraw/zinc/16/08/44/569160844.db2.gz AXHYNGHTFPCIIA-MRXNPFEDSA-N 0 0 425.529 4.743 50 0 IJAARN Cc1csc(C2(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)CCCC2)n1 ZINC000089705451 569161919 /nfs/dbraw/zinc/16/19/19/569161919.db2.gz PBIYLBYLDNNLMH-HZPDHXFCSA-N 0 0 432.565 4.795 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c(Cl)c1 ZINC000016840315 569163124 /nfs/dbraw/zinc/16/31/24/569163124.db2.gz VBEMIGUDBVXVLO-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(SC)cc5)no4)ccn3n2)cc1 ZINC000016842359 569163434 /nfs/dbraw/zinc/16/34/34/569163434.db2.gz CJHWUBBUWCJJRA-UHFFFAOYSA-N 0 0 443.532 4.546 50 0 IJAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 ZINC000016843065 569163554 /nfs/dbraw/zinc/16/35/54/569163554.db2.gz WBQDVFUZINGPGW-UHFFFAOYSA-N 0 0 442.471 4.699 50 0 IJAARN O=c1c2sccc2nc(SCc2nc(-c3ccccc3)no2)n1Cc1ccccc1 ZINC000016843224 569163635 /nfs/dbraw/zinc/16/36/35/569163635.db2.gz WSJUWNFFTFTQAX-UHFFFAOYSA-N 0 0 432.530 4.849 50 0 IJAARN C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nnc2n1CCCC2 ZINC000089913827 569167309 /nfs/dbraw/zinc/16/73/09/569167309.db2.gz FWUWPXCSANGYHD-HNNXBMFYSA-N 0 0 431.471 4.567 50 0 IJAARN COc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000016960614 569168242 /nfs/dbraw/zinc/16/82/42/569168242.db2.gz YZHYCXKQMOCYEX-UHFFFAOYSA-N 0 0 447.564 4.575 50 0 IJAARN COCc1c(C(=O)N2CCN(c3cccc(OC)c3)[C@@H](C)C2)sc2cccc(F)c21 ZINC000089939372 569168264 /nfs/dbraw/zinc/16/82/64/569168264.db2.gz SWBJWVPSNCZEAM-HNNXBMFYSA-N 0 0 428.529 4.546 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1 ZINC000017026595 569171131 /nfs/dbraw/zinc/17/11/31/569171131.db2.gz VTIJQEUFHQGLCM-UHFFFAOYSA-N 0 0 426.563 4.759 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037356038 569171219 /nfs/dbraw/zinc/17/12/19/569171219.db2.gz YQNLCBYXGUFAFQ-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037356134 569171735 /nfs/dbraw/zinc/17/17/35/569171735.db2.gz PYOWZLWZDPFCIP-UHFFFAOYSA-N 0 0 429.307 4.538 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1cccnc1)nc2-c1ccc(Cl)cc1 ZINC000037357671 569174728 /nfs/dbraw/zinc/17/47/28/569174728.db2.gz ZTAMMRSLAAWPIX-UHFFFAOYSA-N 0 0 441.926 4.784 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000017149937 569174889 /nfs/dbraw/zinc/17/48/89/569174889.db2.gz PSKDZFMERNKMPA-SFHVURJKSA-N 0 0 440.373 5.000 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc(Br)cc1 ZINC000017169605 569175296 /nfs/dbraw/zinc/17/52/96/569175296.db2.gz DECPLWDQLAEHQB-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN O=C(Nc1ccc2sccc2c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170497 569175557 /nfs/dbraw/zinc/17/55/57/569175557.db2.gz AJCDVHTWXHIAHW-CQSZACIVSA-N 0 0 440.999 4.798 50 0 IJAARN COc1ccccc1-c1nc(NCc2cccc(F)c2)nc2nn(-c3ccccc3)c(N)c21 ZINC000037358177 569175982 /nfs/dbraw/zinc/17/59/82/569175982.db2.gz VYATVCNPTLCRPN-UHFFFAOYSA-N 0 0 440.482 4.825 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1 ZINC000000935794 569176249 /nfs/dbraw/zinc/17/62/49/569176249.db2.gz VWPSDTXQJBDQHY-UHFFFAOYSA-N 0 0 434.492 4.590 50 0 IJAARN C[C@@H]1CN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C[C@H](c2ccccc2)O1 ZINC000170638256 569178551 /nfs/dbraw/zinc/17/85/51/569178551.db2.gz IOALYDHLWDOGPW-FOIQADDNSA-N 0 0 430.430 4.885 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002098792 569179451 /nfs/dbraw/zinc/17/94/51/569179451.db2.gz FALMIRZKFPINQZ-ZCYQVOJMSA-N 0 0 437.499 4.655 50 0 biogenic IJAARN Cc1cc(OC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000002104521 569180233 /nfs/dbraw/zinc/18/02/33/569180233.db2.gz LAOUQVVZRUFXHE-UHFFFAOYSA-N 0 0 443.540 4.955 50 0 biogenic IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccnc2)cc1 ZINC000000796430 569180295 /nfs/dbraw/zinc/18/02/95/569180295.db2.gz WPWYPXATAGNZFD-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccn1)nc2-c1cccc(Cl)c1 ZINC000037360409 569181433 /nfs/dbraw/zinc/18/14/33/569181433.db2.gz UEFPULWNTVKPTH-UHFFFAOYSA-N 0 0 441.926 4.784 50 0 IJAARN COc1ccc(-c2cc3ccc(OC(=O)c4ccccc4OC)cc3oc2=O)cc1OC ZINC000002131374 569184921 /nfs/dbraw/zinc/18/49/21/569184921.db2.gz VXNDHCKFWMVKMR-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN COc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)cc1 ZINC000002133267 569185031 /nfs/dbraw/zinc/18/50/31/569185031.db2.gz MOAYFPFUEVNANI-DEOSSOPVSA-N 0 0 437.499 4.855 50 0 biogenic IJAARN COc1ccc(OC)c(-c2nc(C(=O)NCc3ccco3)cc3c4ccccc4[nH]c32)c1 ZINC000002137711 569185234 /nfs/dbraw/zinc/18/52/34/569185234.db2.gz OQCGCKNWCPURFT-UHFFFAOYSA-N 0 0 427.460 4.923 50 0 biogenic IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(N1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037377506 569185614 /nfs/dbraw/zinc/18/56/14/569185614.db2.gz DIHOREZVRFIZNP-UHFFFAOYSA-N 0 0 440.885 4.987 50 0 IJAARN CSCC[C@@H](NC(=O)CCc1cn(C(C)C)c2ccccc12)c1nnc2ccccn21 ZINC000252490592 569187004 /nfs/dbraw/zinc/18/70/04/569187004.db2.gz KXLCNPMBLSJQQE-HXUWFJFHSA-N 0 0 435.597 4.808 50 0 IJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccc(Br)cc3)C(C)C)n2)cc1 ZINC000252507406 569188193 /nfs/dbraw/zinc/18/81/93/569188193.db2.gz WKLKQYZGSKHHCY-QGZVFWFLSA-N 0 0 430.302 4.635 50 0 IJAARN COCCn1cc(CCC(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)c2ccccc21 ZINC000252508524 569188380 /nfs/dbraw/zinc/18/83/80/569188380.db2.gz XONKUXKFBQFKIA-RUZDIDTESA-N 0 0 432.568 4.621 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@](F)(OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000002191898 569190675 /nfs/dbraw/zinc/19/06/75/569190675.db2.gz AOUGDTHIAQJZAK-GOSISDBHSA-N 0 0 433.423 4.967 50 0 IJAARN O=C(NCCNc1nc(Cc2ccccc2)nc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000037383218 569191973 /nfs/dbraw/zinc/19/19/73/569191973.db2.gz HCOOTBFMKWZKQZ-UHFFFAOYSA-N 0 0 434.902 4.855 50 0 IJAARN CCc1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)n(Cc2ccccc2F)c1C ZINC000037396736 569193056 /nfs/dbraw/zinc/19/30/56/569193056.db2.gz SCPZAURFQWVWRR-UHFFFAOYSA-N 0 0 437.534 4.956 50 0 IJAARN O=C(/N=c1\sccn1Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)cc1Cl ZINC000037428540 569195990 /nfs/dbraw/zinc/19/59/90/569195990.db2.gz OUWOCTRIHSBDSB-DAFNUICNSA-N 0 0 446.359 4.538 50 0 IJAARN Cc1cccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)c1 ZINC000037436239 569196149 /nfs/dbraw/zinc/19/61/49/569196149.db2.gz IUGDFUNLNBMKFV-VEWKBMDPSA-N 0 0 445.544 4.731 50 0 IJAARN O=C(/N=c1\sccn1Cc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1Cl ZINC000037436683 569196267 /nfs/dbraw/zinc/19/62/67/569196267.db2.gz PAFFGOFQQPDVDI-DAFNUICNSA-N 0 0 446.359 4.538 50 0 IJAARN COc1ccc(-c2csc(N(CC(=O)NC[C@@H]3CCCO3)c3cccc(C)c3)n2)cc1 ZINC000037439395 569196372 /nfs/dbraw/zinc/19/63/72/569196372.db2.gz MCTMYFWKVGBQKC-NRFANRHFSA-N 0 0 437.565 4.560 50 0 IJAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCC2CCCCC2)CC1 ZINC000037524278 569198560 /nfs/dbraw/zinc/19/85/60/569198560.db2.gz AHKQHWPYWRXKFL-UHFFFAOYSA-N 0 0 433.596 4.704 50 0 IJAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)cc1 ZINC000037525310 569199012 /nfs/dbraw/zinc/19/90/12/569199012.db2.gz SKWXDYVLKKYLBN-UHFFFAOYSA-N 0 0 442.563 4.716 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000037544157 569199668 /nfs/dbraw/zinc/19/96/68/569199668.db2.gz GYPXKUUCLVDZHY-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)N1CCSCC1 ZINC000037547126 569199981 /nfs/dbraw/zinc/19/99/81/569199981.db2.gz STUZPBJHVXKFDH-UHFFFAOYSA-N 0 0 443.519 4.759 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000037571338 569201207 /nfs/dbraw/zinc/20/12/07/569201207.db2.gz HGKHIEWVDVFDLV-CQSZACIVSA-N 0 0 431.241 4.682 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037572199 569201211 /nfs/dbraw/zinc/20/12/11/569201211.db2.gz YBZITZOGQDFLOQ-UHFFFAOYSA-N 0 0 438.568 4.994 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NCC1CC1 ZINC000037601312 569202385 /nfs/dbraw/zinc/20/23/85/569202385.db2.gz GKHSWDQPZVUNBS-VPUSJEBWSA-N 0 0 448.607 4.890 50 0 IJAARN Cc1ccc([C@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037601760 569202565 /nfs/dbraw/zinc/20/25/65/569202565.db2.gz VBVHADSVGYXAQR-MHZLTWQESA-N 0 0 446.591 4.564 50 0 IJAARN CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NC(C)C)o3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037604792 569202802 /nfs/dbraw/zinc/20/28/02/569202802.db2.gz XUIZLURRFQODLK-SANMLTNESA-N 0 0 446.547 4.799 50 0 IJAARN Cc1ccc(C(=O)N2CCO[C@H](CN(CC(C)C)C(=O)c3cccc4ccccc43)C2)cc1 ZINC000037609839 569203038 /nfs/dbraw/zinc/20/30/38/569203038.db2.gz BMUBOVHYTRBCKB-DEOSSOPVSA-N 0 0 444.575 4.788 50 0 IJAARN COc1cccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)c1 ZINC000002215378 569203168 /nfs/dbraw/zinc/20/31/68/569203168.db2.gz WNBNUMRYGDUOEK-UHFFFAOYSA-N 0 0 425.794 4.989 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000002222401 569204594 /nfs/dbraw/zinc/20/45/94/569204594.db2.gz HEKRRZDJUIHFCS-UHFFFAOYSA-N 0 0 425.897 4.708 50 0 IJAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)C(C)(C)C)ccc43)c(=O)oc21 ZINC000002231043 569210411 /nfs/dbraw/zinc/21/04/11/569210411.db2.gz BPWQLTNTIHBJLY-UHFFFAOYSA-N 0 0 434.444 4.569 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002687696 569212499 /nfs/dbraw/zinc/21/24/99/569212499.db2.gz RJUOTOPZBTWABP-UHFFFAOYSA-N 0 0 425.484 4.669 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12 ZINC000002245507 569214218 /nfs/dbraw/zinc/21/42/18/569214218.db2.gz JNWSEZAROGGORL-UHFFFAOYSA-N 0 0 448.523 4.766 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002247979 569214564 /nfs/dbraw/zinc/21/45/64/569214564.db2.gz KVUHLTWMBSDGCS-UHFFFAOYSA-N 0 0 446.507 4.536 50 0 IJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C1(c2ccc(C)cc2)CC1 ZINC000002265513 569216166 /nfs/dbraw/zinc/21/61/66/569216166.db2.gz RJMZCQYXXUYDOD-UHFFFAOYSA-N 0 0 427.298 4.696 50 0 IJAARN O=c1c2c3c(sc2n2c(SCc4ccccc4)nnc2n1Cc1ccccc1)CCC3 ZINC000002268183 569216226 /nfs/dbraw/zinc/21/62/26/569216226.db2.gz IIBNNKFTQBUWAZ-UHFFFAOYSA-N 0 0 444.585 4.935 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002281563 569263337 /nfs/dbraw/zinc/26/33/37/569263337.db2.gz SVUZHVWCFVDQRR-UHFFFAOYSA-N 0 0 439.494 4.576 50 0 IJAARN Cc1cccc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)c1 ZINC000002286950 569264008 /nfs/dbraw/zinc/26/40/08/569264008.db2.gz QXQSRBBNJOHRHL-UHFFFAOYSA-N 0 0 425.467 4.533 50 0 IJAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000253401334 569264922 /nfs/dbraw/zinc/26/49/22/569264922.db2.gz FNNFJUGRXAABRZ-IBGZPJMESA-N 0 0 436.895 4.678 50 0 biogenic IJAARN C[C@H](NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002290867 569267923 /nfs/dbraw/zinc/26/79/23/569267923.db2.gz PSKPEORVNSABCU-SFHVURJKSA-N 0 0 435.531 4.900 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c3ccc(Cl)cc3c(=O)cc2C2CC2)c1C ZINC000253433507 569269456 /nfs/dbraw/zinc/26/94/56/569269456.db2.gz XRMKGCJWFPJVNM-UHFFFAOYSA-N 0 0 426.900 4.537 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4nc(C)cs4)sc3n2)cc1OC ZINC000002313766 569272304 /nfs/dbraw/zinc/27/23/04/569272304.db2.gz KKOLYPBOFALVLM-UHFFFAOYSA-N 0 0 426.523 4.580 50 0 IJAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccccc2Br)cc1C ZINC000027572346 569273705 /nfs/dbraw/zinc/27/37/05/569273705.db2.gz YIZJHCZFWNJNNB-LJQANCHMSA-N 0 0 436.689 4.668 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 ZINC000002336044 569274803 /nfs/dbraw/zinc/27/48/03/569274803.db2.gz ZKMXOGJMQAFKKP-UHFFFAOYSA-N 0 0 430.508 4.952 50 0 IJAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000002348101 569281088 /nfs/dbraw/zinc/28/10/88/569281088.db2.gz PDBQXIJHAPZMOU-UHFFFAOYSA-N 0 0 425.488 4.777 50 0 IJAARN O=C(CC1(n2cccc2)CCSCC1)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000253409825 569289010 /nfs/dbraw/zinc/28/90/10/569289010.db2.gz MMQMICJUIQBJJJ-QHCPKHFHSA-N 0 0 430.577 4.883 50 0 IJAARN CC(=O)c1sc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)nc1C ZINC000027756720 569296892 /nfs/dbraw/zinc/29/68/92/569296892.db2.gz ALHHGGVIUUIZSI-UHFFFAOYSA-N 0 0 425.348 4.866 50 0 IJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(F)cc1 ZINC000002393281 569298007 /nfs/dbraw/zinc/29/80/07/569298007.db2.gz QWYSYLIKCBTIDA-UHFFFAOYSA-N 0 0 439.494 4.658 50 0 IJAARN Cc1cccc(-n2ncc3c4nc(CSc5nc6ccccc6s5)nn4cnc32)c1 ZINC000002395990 569298408 /nfs/dbraw/zinc/29/84/08/569298408.db2.gz QRBHRSCCOXWGNM-UHFFFAOYSA-N 0 0 429.534 4.674 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cc(C)ccc3nc21 ZINC000002398214 569298533 /nfs/dbraw/zinc/29/85/33/569298533.db2.gz HHTUBGYKECDIPG-UHFFFAOYSA-N 0 0 448.523 4.971 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000002402218 569299583 /nfs/dbraw/zinc/29/95/83/569299583.db2.gz JQEWUWOAXKKJFY-DNVCBOLYSA-N 0 0 430.287 4.824 50 0 IJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1OC)CC2=O)c1ccccc1 ZINC000002402797 569299806 /nfs/dbraw/zinc/29/98/06/569299806.db2.gz KXNNDYPHMSSKBY-HKUYNNGSSA-N 0 0 445.519 4.539 50 0 IJAARN CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002406319 569300238 /nfs/dbraw/zinc/30/02/38/569300238.db2.gz XXBDBVVWEIRXMO-VGOFRKELSA-N 0 0 435.545 4.856 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002409892 569300630 /nfs/dbraw/zinc/30/06/30/569300630.db2.gz SMEMKEHDCXYLTK-UHFFFAOYSA-N 0 0 448.935 4.951 50 0 IJAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)nc(N)c32)CO1 ZINC000002413253 569301100 /nfs/dbraw/zinc/30/11/00/569301100.db2.gz HNZVKESALHPFOI-HXUWFJFHSA-N 0 0 449.001 4.899 50 0 IJAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(NC(=O)C(C)C)nn21 ZINC000002418947 569301694 /nfs/dbraw/zinc/30/16/94/569301694.db2.gz WBWVYYMMZUBWRH-MSOLQXFVSA-N 0 0 425.920 4.681 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CN(C2CCCC2)c2nc3ccccc3nc21 ZINC000002423436 569302254 /nfs/dbraw/zinc/30/22/54/569302254.db2.gz WNIJZSFZTCDHJO-UHFFFAOYSA-N 0 0 449.363 4.852 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000002427737 569302708 /nfs/dbraw/zinc/30/27/08/569302708.db2.gz NNNGRQPMJFWTBN-INIZCTEOSA-N 0 0 434.562 4.639 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)n1 ZINC000013009680 569306562 /nfs/dbraw/zinc/30/65/62/569306562.db2.gz KUMDSSLMYXRWHF-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1 ZINC000013009926 569306732 /nfs/dbraw/zinc/30/67/32/569306732.db2.gz FEVHHZSOPYOMHO-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013017120 569307159 /nfs/dbraw/zinc/30/71/59/569307159.db2.gz KLOLPKRECTUHKF-QFIPXVFZSA-N 0 0 444.878 4.627 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000013038637 569307740 /nfs/dbraw/zinc/30/77/40/569307740.db2.gz VUURMNXUYAEJPG-CYBMUJFWSA-N 0 0 441.881 4.819 50 0 IJAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1ccccc1 ZINC000013095480 569309470 /nfs/dbraw/zinc/30/94/70/569309470.db2.gz FTPVTYAGXRNTNT-HXUWFJFHSA-N 0 0 437.613 4.658 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C)cc1 ZINC000013096544 569309613 /nfs/dbraw/zinc/30/96/13/569309613.db2.gz UDFSOIKLVWJQRG-UHFFFAOYSA-N 0 0 445.924 4.701 50 0 IJAARN CCOc1ccc(OCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000013112666 569310559 /nfs/dbraw/zinc/31/05/59/569310559.db2.gz CAIBGTKQATVRFI-UHFFFAOYSA-N 0 0 434.540 4.868 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(C)c2)cc1 ZINC000013125983 569311129 /nfs/dbraw/zinc/31/11/29/569311129.db2.gz DHQRTSDUKZHZAY-XMMPIXPASA-N 0 0 428.488 4.538 50 0 IJAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccs1 ZINC000013120784 569311156 /nfs/dbraw/zinc/31/11/56/569311156.db2.gz JROIOXMOKUJDTF-BWKNWUBXSA-N 0 0 431.561 4.533 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000013146168 569311921 /nfs/dbraw/zinc/31/19/21/569311921.db2.gz WVZJUUKOOXZSMN-UHFFFAOYSA-N 0 0 425.259 4.695 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ccccc2C)cc1 ZINC000013163274 569312391 /nfs/dbraw/zinc/31/23/91/569312391.db2.gz KOFMUTPDSBIEMO-UHFFFAOYSA-N 0 0 441.487 4.652 50 0 IJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013284030 569312707 /nfs/dbraw/zinc/31/27/07/569312707.db2.gz VSYNUKVKSMDEAO-UHFFFAOYSA-N 0 0 437.443 4.900 50 0 IJAARN CO[C@@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4[C@@H](O)C[C@@H]5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O)C5(C)C)O1 ZINC000070664911 569315185 /nfs/dbraw/zinc/31/51/85/569315185.db2.gz RNNKNCIBOJGMFI-ZJOLYWDOSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN COc1cccc(CO[C@@H](C)C(=O)N2CCC(=O)N(Cc3ccccc3)c3ccccc32)c1 ZINC000078868989 569319443 /nfs/dbraw/zinc/31/94/43/569319443.db2.gz VVVGTRKCICYJQN-FQEVSTJZSA-N 0 0 444.531 4.570 50 0 IJAARN CCCCCC[C@@H](C)N(C(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1C(=O)OC ZINC000078899409 569320126 /nfs/dbraw/zinc/32/01/26/569320126.db2.gz MSALYGGFMQJCPE-QGZVFWFLSA-N 0 0 437.544 4.533 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)NCCc2nnc(-c3ccccc3)o2)cc1OCC ZINC000078976131 569321082 /nfs/dbraw/zinc/32/10/82/569321082.db2.gz YWTPHLNVEFRSIM-UHFFFAOYSA-N 0 0 429.904 4.550 50 0 IJAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1F ZINC000079025193 569322863 /nfs/dbraw/zinc/32/28/63/569322863.db2.gz KYUDHPUNFOHQAI-FYJFLYSWSA-N 0 0 429.908 4.573 50 0 IJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)C[C@H](C)c4ccccc4)CC3)o2)cc1C ZINC000079102145 569325546 /nfs/dbraw/zinc/32/55/46/569325546.db2.gz YQSRDTQJEMYZJP-LEWJYISDSA-N 0 0 432.568 4.752 50 0 IJAARN Cc1cc(C)nc(SCc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)n1 ZINC000079487044 569331178 /nfs/dbraw/zinc/33/11/78/569331178.db2.gz UNJCBHXGNQRRAZ-UHFFFAOYSA-N 0 0 442.972 4.595 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cc(C)cc(C)c1 ZINC000020032813 569332563 /nfs/dbraw/zinc/33/25/63/569332563.db2.gz HQOPMOKANRYUOH-QHCPKHFHSA-N 0 0 431.561 4.897 50 0 IJAARN Cc1ccc(COc2ccccc2/C=c2\sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000020059590 569332979 /nfs/dbraw/zinc/33/29/79/569332979.db2.gz NBDPAUOERHMFOT-HAHDFKILSA-N 0 0 439.540 4.562 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3F)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020114452 569334832 /nfs/dbraw/zinc/33/48/32/569334832.db2.gz BQHXOOVEFCTNLP-HYBUGGRVSA-N 0 0 434.467 4.576 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000020115881 569334961 /nfs/dbraw/zinc/33/49/61/569334961.db2.gz VNCJJNANIPHQDN-VQTJNVASSA-N 0 0 426.925 4.959 50 0 IJAARN Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2Cc1ccccc1 ZINC000020151725 569336450 /nfs/dbraw/zinc/33/64/50/569336450.db2.gz OQVUMGLIBVUWPR-UHFFFAOYSA-N 0 0 430.451 4.898 50 0 IJAARN CCOC(=O)CCCSC1=N/C(=C\c2cccc(C)c2)C(=O)N1c1ccccc1OC ZINC000020151987 569336519 /nfs/dbraw/zinc/33/65/19/569336519.db2.gz QSFCEPMMVHUUAN-MNDPQUGUSA-N 0 0 438.549 4.824 50 0 IJAARN Cn1nc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 ZINC000390826940 569353869 /nfs/dbraw/zinc/35/38/69/569353869.db2.gz CVYKZRYQVOEXIY-UHFFFAOYSA-N 0 0 437.475 4.587 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@]12C=C(C)[C@@H](c1cc(C)ccc1OC)CC2=O ZINC000390835474 569354578 /nfs/dbraw/zinc/35/45/78/569354578.db2.gz WQVSDWDDNOWAJV-KGVGYBLNSA-N 0 0 437.580 4.992 50 0 IJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)cc1 ZINC000020179641 569354898 /nfs/dbraw/zinc/35/48/98/569354898.db2.gz RBHJNSKZEKEQJZ-MTJSOVHGSA-N 0 0 436.558 4.796 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020241570 569358021 /nfs/dbraw/zinc/35/80/21/569358021.db2.gz HYLOKOUUOSCBSN-PRAQEBQASA-N 0 0 442.968 4.746 50 0 IJAARN COc1ccc(OC)c(CCNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3ccccc32)c1 ZINC000020355683 569361408 /nfs/dbraw/zinc/36/14/08/569361408.db2.gz HIMJMCVAHROOPY-GOSISDBHSA-N 0 0 429.520 4.640 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000095348895 569361688 /nfs/dbraw/zinc/36/16/88/569361688.db2.gz WVAJXSAWWUEJHI-GMAHTHKFSA-N 0 0 432.545 4.794 50 0 IJAARN CC(C)(C)c1cc([C@@H](c2ccc(F)cc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O ZINC000095351641 569361905 /nfs/dbraw/zinc/36/19/05/569361905.db2.gz OKLZUMGNKSVRAO-XMMPIXPASA-N 0 0 442.619 4.826 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(OC)c(OC)c4)CC3)sc2c1 ZINC000020383357 569362743 /nfs/dbraw/zinc/36/27/43/569362743.db2.gz PINYGYYGWMWLDP-UHFFFAOYSA-N 0 0 441.553 4.567 50 0 IJAARN CNc1snc(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 ZINC000095385733 569363276 /nfs/dbraw/zinc/36/32/76/569363276.db2.gz CIDUTYPYRPZIMV-UHFFFAOYSA-N 0 0 440.956 4.878 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCCN3C[C@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000020412694 569364199 /nfs/dbraw/zinc/36/41/99/569364199.db2.gz WCUOFPDUYJZKGE-HOTGVXAUSA-N 0 0 441.959 4.899 50 0 IJAARN O=C(NCc1ccc(F)cc1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415093 569364342 /nfs/dbraw/zinc/36/43/42/569364342.db2.gz MLEJQQWTMNKOLL-UHFFFAOYSA-N 0 0 438.503 4.656 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000020415590 569364473 /nfs/dbraw/zinc/36/44/73/569364473.db2.gz SMELQOGCYZXQRJ-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3ccc(C)cc3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417831 569365051 /nfs/dbraw/zinc/36/50/51/569365051.db2.gz ZNGFTEIZJJEFKY-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN COCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020418028 569365162 /nfs/dbraw/zinc/36/51/62/569365162.db2.gz QDGRIMLIQOLUBG-QHCPKHFHSA-N 0 0 427.884 4.651 50 0 IJAARN CC[C@H](Sc1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000020441079 569365765 /nfs/dbraw/zinc/36/57/65/569365765.db2.gz ZNVNQIJSJMBVIR-KRWDZBQOSA-N 0 0 448.411 4.943 50 0 IJAARN Cc1nc(-c2cc3c(s2)CCN(C(=O)Cc2nc(-c4ccco4)oc2C)C3)cs1 ZINC000095459282 569369334 /nfs/dbraw/zinc/36/93/34/569369334.db2.gz UASHPAYCDMQDMF-UHFFFAOYSA-N 0 0 425.535 4.864 50 0 IJAARN Cc1ccc(C(=O)Oc2cccc([C@H]3CN(C(=O)c4ccc(C)s4)CCO3)c2)s1 ZINC000095460626 569369668 /nfs/dbraw/zinc/36/96/68/569369668.db2.gz JSWVCKLHMUTCCC-GOSISDBHSA-N 0 0 427.547 4.859 50 0 IJAARN Cc1c(C)c(Nc2ccc3c4c2cccc4C(=O)N(CCO)C3=O)ccc1Br ZINC000095471083 569371822 /nfs/dbraw/zinc/37/18/22/569371822.db2.gz QEAIIHAFYYGOHY-UHFFFAOYSA-N 0 0 439.309 4.551 50 0 IJAARN COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095475783 569372865 /nfs/dbraw/zinc/37/28/65/569372865.db2.gz ONKNYEDOFQMTNP-DJJJIMSYSA-N 0 0 447.557 4.631 50 0 IJAARN Cc1n[nH]c(C)c1CCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000095475842 569372947 /nfs/dbraw/zinc/37/29/47/569372947.db2.gz YFBDMQFKICYKQV-RUZDIDTESA-N 0 0 436.987 4.546 50 0 IJAARN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000095482332 569374379 /nfs/dbraw/zinc/37/43/79/569374379.db2.gz NONNULITZKWIFM-HNNXBMFYSA-N 0 0 444.329 4.508 50 0 IJAARN CN(c1ccc(C(=O)Nc2nncs2)cn1)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095988741 569378173 /nfs/dbraw/zinc/37/81/73/569378173.db2.gz SQGACVKCRVWJJH-SJORKVTESA-N 0 0 447.486 4.977 50 0 IJAARN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cc(N3CCOC3=O)ccc2F)C(C)(C)O1 ZINC000095991728 569378331 /nfs/dbraw/zinc/37/83/31/569378331.db2.gz SPAKVRQOOSQPAK-OAQYLSRUSA-N 0 0 440.515 4.771 50 0 IJAARN CC[C@@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095992925 569378346 /nfs/dbraw/zinc/37/83/46/569378346.db2.gz HVFFAMQQQADFSN-ZIAGYGMSSA-N 0 0 438.393 4.954 50 0 IJAARN CC(C)(O)c1nnc(NC(=O)c2ccccc2Oc2cccc(Br)c2)s1 ZINC000095992830 569378351 /nfs/dbraw/zinc/37/83/51/569378351.db2.gz RYJVWQFOBOJCBI-UHFFFAOYSA-N 0 0 434.315 4.573 50 0 IJAARN Cc1cc(Br)cc(C)c1NCc1nccn1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000096012844 569380247 /nfs/dbraw/zinc/38/02/47/569380247.db2.gz NLSMKIAOSKQFSE-CALCHBBNSA-N 0 0 433.394 4.664 50 0 IJAARN O=c1ccc2ccc(OCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2o1 ZINC000096028220 569380916 /nfs/dbraw/zinc/38/09/16/569380916.db2.gz DDPLCPVQSVYXOF-UHFFFAOYSA-N 0 0 433.335 4.691 50 0 IJAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000096118663 569384541 /nfs/dbraw/zinc/38/45/41/569384541.db2.gz KBHFWZSQXDTJEP-UHFFFAOYSA-N 0 0 429.505 4.843 50 0 IJAARN CSc1ccccc1NC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124042 569385406 /nfs/dbraw/zinc/38/54/06/569385406.db2.gz DRGUKDJSLNNMKY-UHFFFAOYSA-N 0 0 443.576 4.998 50 0 IJAARN CC(C)CC(=O)N1C[C@H](C(=O)NCc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211275 569386665 /nfs/dbraw/zinc/38/66/65/569386665.db2.gz LTOOEBBJVYNBCJ-RTWAWAEBSA-N 0 0 432.486 4.610 50 0 IJAARN COCCNC(=O)c1cc2cc(NC(=O)CCc3ccccc3)ccc2n1CCC(C)C ZINC000096275527 569388313 /nfs/dbraw/zinc/38/83/13/569388313.db2.gz OBPCFNLYAHCIBM-UHFFFAOYSA-N 0 0 435.568 4.635 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275821 569388432 /nfs/dbraw/zinc/38/84/32/569388432.db2.gz NVNPGOYABZPXLB-KRWDZBQOSA-N 0 0 433.386 4.611 50 0 IJAARN COCCNC(=O)c1cc2cc(NC(=O)C3CC3)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000096277066 569388736 /nfs/dbraw/zinc/38/87/36/569388736.db2.gz KCDXMNJHUBWGOE-UHFFFAOYSA-N 0 0 447.579 4.712 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000096277378 569388774 /nfs/dbraw/zinc/38/87/74/569388774.db2.gz WXXLYXXSHCTIHR-UHFFFAOYSA-N 0 0 437.883 4.633 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000096279087 569389206 /nfs/dbraw/zinc/38/92/06/569389206.db2.gz JJKJIGQFIRKOQF-UHFFFAOYSA-N 0 0 449.893 4.764 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CCCC1)CC2)C(=O)NC1CC1 ZINC000096281147 569389781 /nfs/dbraw/zinc/38/97/81/569389781.db2.gz OSJIQUYMXCKFQV-UIOOFZCWSA-N 0 0 446.591 4.787 50 0 IJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(Br)cc2)cc1C ZINC000096286815 569390233 /nfs/dbraw/zinc/39/02/33/569390233.db2.gz RLFDTSGZEMPASZ-UHFFFAOYSA-N 0 0 448.320 4.827 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N=C1c1cccc(C)c1 ZINC000096287408 569390299 /nfs/dbraw/zinc/39/02/99/569390299.db2.gz JAAHKRHXZZYBRM-UHFFFAOYSA-N 0 0 447.560 4.921 50 0 IJAARN Cc1nnc(SCc2ccccc2C(=O)NC2CC2)n1-c1cccc(C(F)(F)F)c1 ZINC000096290408 569390956 /nfs/dbraw/zinc/39/09/56/569390956.db2.gz RVKDWIKPKDGMDL-UHFFFAOYSA-N 0 0 432.471 4.779 50 0 IJAARN Cc1ccccc1-n1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1ccncc1 ZINC000096290832 569391045 /nfs/dbraw/zinc/39/10/45/569391045.db2.gz SIPSUQOBTLLOOA-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(C(C)C)N3c2ccccc2)cc1 ZINC000096292313 569391219 /nfs/dbraw/zinc/39/12/19/569391219.db2.gz KVVDSYJTVKMQJG-UHFFFAOYSA-N 0 0 449.532 4.842 50 0 IJAARN CC[C@H](C)N(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)CCc1ccccc1 ZINC000096292913 569391348 /nfs/dbraw/zinc/39/13/48/569391348.db2.gz LBHTWVNCGKBPQD-SFHVURJKSA-N 0 0 437.540 4.556 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000096293132 569391465 /nfs/dbraw/zinc/39/14/65/569391465.db2.gz XDZFHKAMSDVDMD-UHFFFAOYSA-N 0 0 441.553 4.833 50 0 IJAARN CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000096299975 569392033 /nfs/dbraw/zinc/39/20/33/569392033.db2.gz CXQOUNWHIZDHNJ-SFHVURJKSA-N 0 0 448.438 4.941 50 0 IJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096316995 569392982 /nfs/dbraw/zinc/39/29/82/569392982.db2.gz NMEYUIUAZHEGMI-UHFFFAOYSA-N 0 0 441.595 4.522 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096316977 569393002 /nfs/dbraw/zinc/39/30/02/569393002.db2.gz DCSPDTRWWPLSRY-UHFFFAOYSA-N 0 0 436.644 4.886 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000096317207 569393170 /nfs/dbraw/zinc/39/31/70/569393170.db2.gz HQRAUFMCIXYWOS-GOSISDBHSA-N 0 0 438.591 4.731 50 0 IJAARN CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](O)c1ccc(OCCc3ccccc3)cc1O2 ZINC000096319619 569393962 /nfs/dbraw/zinc/39/39/62/569393962.db2.gz MPYDYYQIRLHPIQ-BWKNWUBXSA-N 0 0 425.525 4.504 50 0 IJAARN COc1ccccc1CNC(=O)C[C@@H]1COc2cc(C)ccc2N1Cc1ccc(C)cc1 ZINC000096323036 569395013 /nfs/dbraw/zinc/39/50/13/569395013.db2.gz PFNITEKGFUZQOD-HSZRJFAPSA-N 0 0 430.548 4.786 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323820 569395487 /nfs/dbraw/zinc/39/54/87/569395487.db2.gz ATYJBCQSKYGXFO-UHFFFAOYSA-N 0 0 445.882 4.980 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000096324504 569395997 /nfs/dbraw/zinc/39/59/97/569395997.db2.gz DDVQWHZVMFCOES-UHFFFAOYSA-N 0 0 436.581 4.695 50 0 IJAARN COC(=O)C[C@@H](c1ccc(F)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O ZINC000096335861 569396639 /nfs/dbraw/zinc/39/66/39/569396639.db2.gz AJWVXZBQWDYRHQ-SFHVURJKSA-N 0 0 432.444 4.611 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2nc3ccccc3[nH]2)C12CCCC2 ZINC000096343881 569396902 /nfs/dbraw/zinc/39/69/02/569396902.db2.gz MFBUWOJEGYIVTF-HSZRJFAPSA-N 0 0 430.552 4.532 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3)CC2)C12CCCC2 ZINC000096344619 569397006 /nfs/dbraw/zinc/39/70/06/569397006.db2.gz AYDPCKXJGPGYTQ-RUZDIDTESA-N 0 0 445.607 4.688 50 0 IJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)Cc1ccc(Cl)cc1 ZINC000096349850 569397242 /nfs/dbraw/zinc/39/72/42/569397242.db2.gz MQUVSTUQJGMWQL-UHFFFAOYSA-N 0 0 429.307 4.768 50 0 IJAARN Cc1ccc2nc3c(cc(C(=O)Nc4ccccc4Cl)n3Cc3ccccc3)c(=O)n2c1 ZINC000096347340 569397253 /nfs/dbraw/zinc/39/72/53/569397253.db2.gz JWLMFJQZIRCNLN-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN C[C@H](NC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1)c1ccc(F)cc1 ZINC000096386336 569398565 /nfs/dbraw/zinc/39/85/65/569398565.db2.gz YDBRCOJNSMEDFS-HNNXBMFYSA-N 0 0 444.963 4.753 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000021861636 569400949 /nfs/dbraw/zinc/40/09/49/569400949.db2.gz FQGKJSCTQJZASV-IWAORQPKSA-N 0 0 444.579 4.705 50 0 IJAARN COC(=O)[C@@]1(OC)CC2(c3ccccc3-c3ccccc32)N(c2ccc(Cl)cc2)N1C#N ZINC000096592484 569401906 /nfs/dbraw/zinc/40/19/06/569401906.db2.gz FUOFNMIMZKSYFS-VWLOTQADSA-N 0 0 445.906 4.688 50 0 IJAARN COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCCO)c1 ZINC000334163511 569402205 /nfs/dbraw/zinc/40/22/05/569402205.db2.gz 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O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225729552 569407559 /nfs/dbraw/zinc/40/75/59/569407559.db2.gz KPGJXWPRMXVLOM-SFHVURJKSA-N 0 0 440.421 4.625 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3ccccc3Cl)n2)cc1OC ZINC000028294397 569409686 /nfs/dbraw/zinc/40/96/86/569409686.db2.gz SFYBEFJOJYPRHF-UHFFFAOYSA-N 0 0 433.917 4.673 50 0 IJAARN COc1ccc(C)cc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O ZINC000002622367 569411131 /nfs/dbraw/zinc/41/11/31/569411131.db2.gz LHMNMFPJPHVONQ-UHFFFAOYSA-N 0 0 447.560 4.633 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3cc(C)n(C)c3C)nnc2-c2cccnc2)cc1 ZINC000002623368 569411425 /nfs/dbraw/zinc/41/14/25/569411425.db2.gz WEQIHYDNORHSBF-UHFFFAOYSA-N 0 0 447.564 4.658 50 0 IJAARN COc1ccccc1C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000002631475 569412453 /nfs/dbraw/zinc/41/24/53/569412453.db2.gz AKXMJHMECANYCI-UHFFFAOYSA-N 0 0 434.492 4.568 50 0 IJAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002632977 569412600 /nfs/dbraw/zinc/41/26/00/569412600.db2.gz HFLGLHYMUIIPKG-UHFFFAOYSA-N 0 0 440.283 4.634 50 0 IJAARN CSc1ncccc1C(=O)OCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000002635684 569412885 /nfs/dbraw/zinc/41/28/85/569412885.db2.gz ATMXSFCEFLELHB-UHFFFAOYSA-N 0 0 427.551 4.648 50 0 IJAARN Cc1ccc(-c2nc(COC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)cs2)cc1 ZINC000002643038 569413882 /nfs/dbraw/zinc/41/38/82/569413882.db2.gz MBJZLDTZCLXSKT-FQEVSTJZSA-N 0 0 426.513 4.755 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1Cl ZINC000002649036 569414555 /nfs/dbraw/zinc/41/45/55/569414555.db2.gz KHXHGZVFPFHBDH-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN COc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)sc2C)cc1 ZINC000002650808 569414938 /nfs/dbraw/zinc/41/49/38/569414938.db2.gz BFAOJVXTTXUEGX-IBGZPJMESA-N 0 0 441.528 4.659 50 0 IJAARN O=C(CSc1ccc(Br)cc1)Nc1ccccc1I ZINC000002652656 569414990 /nfs/dbraw/zinc/41/49/90/569414990.db2.gz WWZAYWFGLUPNBD-UHFFFAOYSA-N 0 0 448.123 4.785 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)=O)cc3)n2)cc1OC ZINC000002664230 569416331 /nfs/dbraw/zinc/41/63/31/569416331.db2.gz KCZSUWXLMOXAJI-UHFFFAOYSA-N 0 0 440.521 4.828 50 0 IJAARN O=C(CSc1nnc2[nH]c3ccccc3n21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002664258 569416349 /nfs/dbraw/zinc/41/63/49/569416349.db2.gz WSVHXSXBGNGHSQ-UHFFFAOYSA-N 0 0 425.823 4.614 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCOc1ccc(Br)cc1 ZINC000002665254 569416461 /nfs/dbraw/zinc/41/64/61/569416461.db2.gz XEYMOAXLIQDDKC-UHFFFAOYSA-N 0 0 449.732 4.892 50 0 IJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1I ZINC000002721096 569418205 /nfs/dbraw/zinc/41/82/05/569418205.db2.gz QNHGNPKKBFKJJD-UHFFFAOYSA-N 0 0 436.318 4.603 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1cccs1)Nc1ccccc1 ZINC000002728459 569418746 /nfs/dbraw/zinc/41/87/46/569418746.db2.gz WBUPHPHUVHJRTQ-IBGZPJMESA-N 0 0 439.924 4.768 50 0 IJAARN COc1ccc(C=C2NC(=S)N(c3ccc(F)cc3)C2=O)cc1COCC(F)(F)F ZINC000002791235 569421822 /nfs/dbraw/zinc/42/18/22/569421822.db2.gz NHRKGHQCIOETFX-SXGWCWSVSA-N 0 0 440.418 4.587 50 0 IJAARN CSc1nnc(C(F)(F)F)n1NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000002794689 569422109 /nfs/dbraw/zinc/42/21/09/569422109.db2.gz YFJKNDYRBBAXRF-UHFFFAOYSA-N 0 0 446.838 4.537 50 0 IJAARN COc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4C)c(OC)c3)C(=O)O2)c1 ZINC000002819267 569423018 /nfs/dbraw/zinc/42/30/18/569423018.db2.gz YBSRTRLYOJTZDP-FYJGNVAPSA-N 0 0 443.455 4.576 50 0 IJAARN O=S(=O)(N[C@H]1CCCC[C@H]1Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002908021 569424554 /nfs/dbraw/zinc/42/45/54/569424554.db2.gz RQDBBJSKSVAPOF-MSOLQXFVSA-N 0 0 443.794 4.804 50 0 IJAARN COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCCC2)c1 ZINC000002912864 569425018 /nfs/dbraw/zinc/42/50/18/569425018.db2.gz GQSQOSAIDTZPPT-XMMPIXPASA-N 0 0 436.552 4.630 50 0 IJAARN COc1cccc(-n2nc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)c1 ZINC000002942642 569426786 /nfs/dbraw/zinc/42/67/86/569426786.db2.gz KWGLKSSRUHIKDW-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COc1ccc(C2=N/C(=C/c3ccccc3C(F)(F)F)C(=O)O2)cc1Br ZINC000002945712 569426878 /nfs/dbraw/zinc/42/68/78/569426878.db2.gz RQLZGUXJRLCHHQ-NTEUORMPSA-N 0 0 426.188 4.821 50 0 IJAARN Cc1ccc(C2=NC(=CNc3ccc(Br)cc3Br)C(=O)O2)cc1 ZINC000002947297 569427041 /nfs/dbraw/zinc/42/70/41/569427041.db2.gz CRNSUBWMWMTZKH-DHDCSXOGSA-N 0 0 436.103 4.777 50 0 IJAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1ccccc1I ZINC000002946903 569427072 /nfs/dbraw/zinc/42/70/72/569427072.db2.gz YZYPHJXZJKAVSV-LDADJPATSA-N 0 0 440.240 4.701 50 0 IJAARN C[C@@H](C(=O)Nc1cccc(-c2cn3ccsc3n2)c1)n1nc(-c2cccs2)ccc1=O ZINC000056905925 569427561 /nfs/dbraw/zinc/42/75/61/569427561.db2.gz QSCLJAUQBKFKAF-AWEZNQCLSA-N 0 0 447.545 4.548 50 0 IJAARN CCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(F)c2)cc1 ZINC000002954985 569432381 /nfs/dbraw/zinc/43/23/81/569432381.db2.gz NNLOZWFFFDXYIA-GNVQSUKOSA-N 0 0 447.466 4.651 50 0 IJAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000029765762 569432650 /nfs/dbraw/zinc/43/26/50/569432650.db2.gz TXMHRRRYAWSGOP-OAQYLSRUSA-N 0 0 427.909 4.710 50 0 IJAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCC(=O)NC1CCCCC1 ZINC000002972018 569433456 /nfs/dbraw/zinc/43/34/56/569433456.db2.gz HKQFWYMGPBUABE-UHFFFAOYSA-N 0 0 435.593 4.836 50 0 IJAARN COc1cc(-c2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc(OC)c1OC ZINC000003018215 569435529 /nfs/dbraw/zinc/43/55/29/569435529.db2.gz NBHMFJPCJVWDLS-UHFFFAOYSA-N 0 0 436.895 4.791 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccc(Cl)c1)NCc1ccccc1 ZINC000057472575 569435626 /nfs/dbraw/zinc/43/56/26/569435626.db2.gz BUPPJASKXWBQAX-UHFFFAOYSA-N 0 0 449.963 4.507 50 0 IJAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)CC1 ZINC000003021919 569435997 /nfs/dbraw/zinc/43/59/97/569435997.db2.gz AYAFOSOQOIXLPM-UHFFFAOYSA-N 0 0 445.343 4.805 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F ZINC000003022025 569436024 /nfs/dbraw/zinc/43/60/24/569436024.db2.gz AQIOQMIYMUMKNI-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)cc1Cl ZINC000003023642 569436137 /nfs/dbraw/zinc/43/61/37/569436137.db2.gz OTDHFTXTNSBUJQ-UHFFFAOYSA-N 0 0 446.931 4.861 50 0 IJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2F)cc1 ZINC000003024774 569436231 /nfs/dbraw/zinc/43/62/31/569436231.db2.gz JSGYOARDZWBBDA-CALCHBBNSA-N 0 0 432.561 4.868 50 0 IJAARN CCOC(=O)CCN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1cc(C)ccc1C ZINC000003028513 569436482 /nfs/dbraw/zinc/43/64/82/569436482.db2.gz MLAFISHZJUDVRJ-UHFFFAOYSA-N 0 0 444.380 4.754 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)c1 ZINC000057488153 569436889 /nfs/dbraw/zinc/43/68/89/569436889.db2.gz YRIFLHLVKYVPMF-UHFFFAOYSA-N 0 0 427.595 4.605 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000057488559 569436959 /nfs/dbraw/zinc/43/69/59/569436959.db2.gz CCYSSKGESORFDC-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 ZINC000057489438 569437031 /nfs/dbraw/zinc/43/70/31/569437031.db2.gz AODZIYREGQIIPV-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCCCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 ZINC000057511246 569438562 /nfs/dbraw/zinc/43/85/62/569438562.db2.gz WEBJEJOYIXAGAG-UHFFFAOYSA-N 0 0 442.519 4.855 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000003047992 569438759 /nfs/dbraw/zinc/43/87/59/569438759.db2.gz YDFRTOLYNPUGBU-UHFFFAOYSA-N 0 0 432.929 4.822 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1CC ZINC000057523138 569439051 /nfs/dbraw/zinc/43/90/51/569439051.db2.gz BVTYRAXQEUAFAS-UHFFFAOYSA-N 0 0 432.549 4.705 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 ZINC000003059239 569439426 /nfs/dbraw/zinc/43/94/26/569439426.db2.gz FSSNVILYANBPKZ-UHFFFAOYSA-N 0 0 435.574 4.800 50 0 IJAARN CC(C)OCCCNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000057595294 569440093 /nfs/dbraw/zinc/44/00/93/569440093.db2.gz QTIZFIQYRVDVPX-HXUWFJFHSA-N 0 0 448.673 4.683 50 0 IJAARN O=C(Nc1ccccc1Br)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000057630879 569440438 /nfs/dbraw/zinc/44/04/38/569440438.db2.gz YQRUHLKVNLKAAY-UHFFFAOYSA-N 0 0 428.286 4.800 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ncc(Cl)cc1Cl ZINC000003220190 569441918 /nfs/dbraw/zinc/44/19/18/569441918.db2.gz BBCYLHIFSCOTAA-UHFFFAOYSA-N 0 0 449.265 4.902 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000003220552 569441985 /nfs/dbraw/zinc/44/19/85/569441985.db2.gz YGVVVZIQQARUBT-UHFFFAOYSA-N 0 0 429.476 4.817 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003242848 569442641 /nfs/dbraw/zinc/44/26/41/569442641.db2.gz HDXRGPBCGWBPRQ-UHFFFAOYSA-N 0 0 440.830 4.659 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(Br)c1 ZINC000003246666 569442749 /nfs/dbraw/zinc/44/27/49/569442749.db2.gz VLZDTYUPLWLQNJ-UHFFFAOYSA-N 0 0 429.314 4.743 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3ccc(Cl)cc3)c2)cc1 ZINC000003259012 569443106 /nfs/dbraw/zinc/44/31/06/569443106.db2.gz DYPAMCCSEAFMGP-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN O=C(Nc1cc2cc(Br)cc(Br)c2oc1=O)c1ccccc1F ZINC000003271977 569443579 /nfs/dbraw/zinc/44/35/79/569443579.db2.gz HCMUJINOWOXKEX-UHFFFAOYSA-N 0 0 441.050 4.709 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N(C)CC(C)C)cc1 ZINC000058018140 569445016 /nfs/dbraw/zinc/44/50/16/569445016.db2.gz FACSESIJTKPLRT-UHFFFAOYSA-N 0 0 435.490 4.687 50 0 IJAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2c(C)cccc2CC)c2ccccc2c1=O ZINC000003302688 569445133 /nfs/dbraw/zinc/44/51/33/569445133.db2.gz ZNMTZROZFONVPF-UHFFFAOYSA-N 0 0 449.551 4.643 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1 ZINC000003308105 569445272 /nfs/dbraw/zinc/44/52/72/569445272.db2.gz UHYBNNFWRSGGBS-OAQYLSRUSA-N 0 0 445.548 4.666 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)sc2c1 ZINC000003309509 569445328 /nfs/dbraw/zinc/44/53/28/569445328.db2.gz YFCJBUXRQMTHKZ-IYBDPMFKSA-N 0 0 443.594 4.524 50 0 IJAARN COc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003313309 569445578 /nfs/dbraw/zinc/44/55/78/569445578.db2.gz YOMOJJIAEIBWFU-UHFFFAOYSA-N 0 0 445.397 4.648 50 0 IJAARN O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccc2c(c1)OCO2 ZINC000003313529 569445582 /nfs/dbraw/zinc/44/55/82/569445582.db2.gz NYAQXPPKYQVNEH-UHFFFAOYSA-N 0 0 439.880 4.758 50 0 IJAARN O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC(Cc2ccccc2)CC1 ZINC000003313996 569445629 /nfs/dbraw/zinc/44/56/29/569445629.db2.gz CRVAWNMMJZWCPA-UHFFFAOYSA-N 0 0 430.643 4.856 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003320434 569445959 /nfs/dbraw/zinc/44/59/59/569445959.db2.gz NQUHDKVMAUHVBN-QGZVFWFLSA-N 0 0 445.592 4.980 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2oc1-c1ccccc1 ZINC000003340366 569446850 /nfs/dbraw/zinc/44/68/50/569446850.db2.gz UBUUHOPYULGIRA-UHFFFAOYSA-N 0 0 440.499 4.857 50 0 IJAARN COc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 ZINC000003346565 569447136 /nfs/dbraw/zinc/44/71/36/569447136.db2.gz GVDMQKYTJUCKIX-QWHCGFSZSA-N 0 0 432.546 4.787 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1OC ZINC000003349042 569447243 /nfs/dbraw/zinc/44/72/43/569447243.db2.gz LQVGRQUYMYRFEK-UHFFFAOYSA-N 0 0 430.555 4.647 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003349939 569447323 /nfs/dbraw/zinc/44/73/23/569447323.db2.gz WGAUWALHJSHGFV-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN Cc1ccc(CN(C(=O)c2cccc(CS(C)(=O)=O)c2)[C@H]2CCc3ccccc32)cc1 ZINC000058108117 569447570 /nfs/dbraw/zinc/44/75/70/569447570.db2.gz YQLCYYWAQYCFDQ-VWLOTQADSA-N 0 0 433.573 4.870 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(OC)cc3OC)sc2C)cc1 ZINC000003354896 569447603 /nfs/dbraw/zinc/44/76/03/569447603.db2.gz DTTFFHJKIXIWGY-UHFFFAOYSA-N 0 0 426.490 4.789 50 0 IJAARN C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000003358262 569447697 /nfs/dbraw/zinc/44/76/97/569447697.db2.gz MLYSXSFZPIKPID-JTQLQIEISA-N 0 0 426.350 4.870 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)C(C)C ZINC000003364791 569448123 /nfs/dbraw/zinc/44/81/23/569448123.db2.gz LQYLODDECQZUKL-UHFFFAOYSA-N 0 0 444.000 4.836 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000003369213 569448276 /nfs/dbraw/zinc/44/82/76/569448276.db2.gz GHSNYXBRGAFJMJ-INIZCTEOSA-N 0 0 431.608 4.508 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000003371563 569448494 /nfs/dbraw/zinc/44/84/94/569448494.db2.gz YDCHWHDUPYSRMJ-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)c3nc4nccc(C)n4n3)nc2c(C)c1 ZINC000003374808 569448625 /nfs/dbraw/zinc/44/86/25/569448625.db2.gz CCAITUSRYBYFOA-UHFFFAOYSA-N 0 0 428.521 4.506 50 0 IJAARN Cc1ccc(CN(C)Cn2nc(-c3c[nH]c4ccccc43)n(C[C@@H]3CCCO3)c2=S)o1 ZINC000003397099 569449479 /nfs/dbraw/zinc/44/94/79/569449479.db2.gz FQPVSDWGAIZWPP-KRWDZBQOSA-N 0 0 437.569 4.732 50 0 IJAARN C[C@H](Sc1nnc(C(F)(F)F)n1C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003421267 569450427 /nfs/dbraw/zinc/45/04/27/569450427.db2.gz XEQUBVKNGMBTPL-VIFPVBQESA-N 0 0 437.472 4.652 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003436044 569451076 /nfs/dbraw/zinc/45/10/76/569451076.db2.gz MYPMKIUQMCWXMR-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)cc2)cc1 ZINC000003438716 569451111 /nfs/dbraw/zinc/45/11/11/569451111.db2.gz YSOISVQXURHHMB-UHFFFAOYSA-N 0 0 432.398 4.697 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 ZINC000003441312 569451254 /nfs/dbraw/zinc/45/12/54/569451254.db2.gz JAPXPIRXZQPLNZ-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN COc1ccccc1C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC ZINC000003446692 569451399 /nfs/dbraw/zinc/45/13/99/569451399.db2.gz CBUDEDQQMICFDL-UHFFFAOYSA-N 0 0 446.528 4.686 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F ZINC000003447387 569451420 /nfs/dbraw/zinc/45/14/20/569451420.db2.gz SIHGLYBTYPQJDH-UHFFFAOYSA-N 0 0 448.397 4.685 50 0 IJAARN Nn1c(Cc2ccccc2F)nnc1SCc1csc(-c2ccc(Cl)cc2)n1 ZINC000003447545 569451472 /nfs/dbraw/zinc/45/14/72/569451472.db2.gz WWQQGYRHUNAFNM-UHFFFAOYSA-N 0 0 431.949 4.791 50 0 IJAARN CCN(CC(=O)Nc1ccc(Br)cc1)CC(=O)Nc1c(C)cccc1C(C)C ZINC000003449323 569451559 /nfs/dbraw/zinc/45/15/59/569451559.db2.gz JTMYFBCOKWYHKI-UHFFFAOYSA-N 0 0 446.389 4.780 50 0 IJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003448875 569451568 /nfs/dbraw/zinc/45/15/68/569451568.db2.gz PKOUMJPZWQSOEH-UHFFFAOYSA-N 0 0 433.851 4.639 50 0 IJAARN COc1ccc(Cl)cc1-n1c(S[C@@H]2CCOC2=O)nnc1-c1cccc(Cl)c1 ZINC000003497119 569452662 /nfs/dbraw/zinc/45/26/62/569452662.db2.gz VSSHAXVXCMNKLA-MRXNPFEDSA-N 0 0 436.320 4.657 50 0 IJAARN O=C(NC1CCCCC1)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000003630180 569455229 /nfs/dbraw/zinc/45/52/29/569455229.db2.gz JFLKUAJDQNFZHL-UHFFFAOYSA-N 0 0 431.920 4.529 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031398675 569456341 /nfs/dbraw/zinc/45/63/41/569456341.db2.gz SQGBAHDHQCIBTK-OAHLLOKOSA-N 0 0 426.875 4.815 50 0 IJAARN CC(C)c1ccc(-c2nc(CSCC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 ZINC000031414308 569456369 /nfs/dbraw/zinc/45/63/69/569456369.db2.gz DNMRXPRHSOVMSE-UHFFFAOYSA-N 0 0 425.579 4.904 50 0 IJAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1cc(C=O)ccc1OC ZINC000058986892 569458380 /nfs/dbraw/zinc/45/83/80/569458380.db2.gz NMHBSUZCNWVULU-UHFFFAOYSA-N 0 0 447.354 4.682 50 0 IJAARN Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000031968890 569458609 /nfs/dbraw/zinc/45/86/09/569458609.db2.gz JXQASNNKTMLGCG-DEOSSOPVSA-N 0 0 431.923 4.654 50 0 IJAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)c1OC(C)C ZINC000032087753 569459486 /nfs/dbraw/zinc/45/94/86/569459486.db2.gz HHRDBIGSYPCVCQ-AWEZNQCLSA-N 0 0 427.892 4.544 50 0 IJAARN CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2C ZINC000032089784 569459545 /nfs/dbraw/zinc/45/95/45/569459545.db2.gz NTERWJNXNZRPNQ-XMMPIXPASA-N 0 0 434.927 4.962 50 0 IJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Br)cc1 ZINC000032094978 569459808 /nfs/dbraw/zinc/45/98/08/569459808.db2.gz RRFSKSZUQASPAW-MRXNPFEDSA-N 0 0 443.276 4.932 50 0 IJAARN CC(C)Cc1csc2c1c1nc(-c3cccnc3)nn1c(=O)n2CCc1ccccc1 ZINC000032097203 569459985 /nfs/dbraw/zinc/45/99/85/569459985.db2.gz WDOYNXGDKQMMSS-UHFFFAOYSA-N 0 0 429.549 4.609 50 0 IJAARN COc1cccc(SCC(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)c1 ZINC000059274938 569460679 /nfs/dbraw/zinc/46/06/79/569460679.db2.gz CDEUEGQREGZWMO-AWEZNQCLSA-N 0 0 441.578 4.747 50 0 IJAARN COc1cccc(SCC(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)c1 ZINC000059274939 569460684 /nfs/dbraw/zinc/46/06/84/569460684.db2.gz CDEUEGQREGZWMO-CQSZACIVSA-N 0 0 441.578 4.747 50 0 IJAARN CC(=O)Nc1cccc(CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000032360524 569461411 /nfs/dbraw/zinc/46/14/11/569461411.db2.gz FCWADHFQXGPFQH-UHFFFAOYSA-N 0 0 428.414 4.732 50 0 IJAARN CCCCc1ccc(NC(=O)CN(CCC)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000007986329 569462011 /nfs/dbraw/zinc/46/20/11/569462011.db2.gz ITJLVLHJZWBNLB-UHFFFAOYSA-N 0 0 430.614 4.994 50 0 IJAARN COc1ccccc1C=C(NC(=O)c1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000008386909 569462719 /nfs/dbraw/zinc/46/27/19/569462719.db2.gz OMTHZGBWCRGHOC-KQWNVCNZSA-N 0 0 428.488 4.616 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1Cl ZINC000038486528 569462772 /nfs/dbraw/zinc/46/27/72/569462772.db2.gz NYPQFJVBKUZJJH-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN COc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1OC ZINC000038486890 569462846 /nfs/dbraw/zinc/46/28/46/569462846.db2.gz DCKNAVDPDZPAFH-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000038487517 569462887 /nfs/dbraw/zinc/46/28/87/569462887.db2.gz BRCYNUODFFSTLJ-KRWDZBQOSA-N 0 0 431.927 4.734 50 0 IJAARN CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546052 569463398 /nfs/dbraw/zinc/46/33/98/569463398.db2.gz MWMYSGMMYOWRIF-JOCHJYFZSA-N 0 0 440.565 4.976 50 0 IJAARN CCc1cc([C@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546455 569463557 /nfs/dbraw/zinc/46/35/57/569463557.db2.gz BZBQBRDZPCHYFU-NRFANRHFSA-N 0 0 427.545 4.632 50 0 IJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008443230 569464642 /nfs/dbraw/zinc/46/46/42/569464642.db2.gz ZKTWKZMPKUKIIC-HILWVGGESA-N 0 0 440.975 4.851 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)c1 ZINC000067216855 569464893 /nfs/dbraw/zinc/46/48/93/569464893.db2.gz XBOJFYJSFWWSBV-UHFFFAOYSA-N 0 0 427.595 4.605 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)c1 ZINC000067217050 569464947 /nfs/dbraw/zinc/46/49/47/569464947.db2.gz LGHUOGRFLHVHNT-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN COc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)c1 ZINC000067245169 569465826 /nfs/dbraw/zinc/46/58/26/569465826.db2.gz AXSQHVPVKSRKAE-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cccc(Cl)c4)ccn3n2)cc1 ZINC000067260991 569466474 /nfs/dbraw/zinc/46/64/74/569466474.db2.gz JUSJMFVHZDTEKD-UHFFFAOYSA-N 0 0 448.954 4.646 50 0 IJAARN Cc1c(C(=O)NCC2CCC(c3nc4ccccc4n3C)CC2)cnn1-c1ccccc1 ZINC000038671757 569466593 /nfs/dbraw/zinc/46/65/93/569466593.db2.gz ZNJNENHRIZZRFO-UHFFFAOYSA-N 0 0 427.552 4.771 50 0 IJAARN Clc1ccccc1N1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067263345 569466667 /nfs/dbraw/zinc/46/66/67/569466667.db2.gz OMHLTBJPUAAUDC-UHFFFAOYSA-N 0 0 440.938 4.925 50 0 IJAARN Cc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)c1C ZINC000067288147 569467364 /nfs/dbraw/zinc/46/73/64/569467364.db2.gz LHKFULGAJMZMMC-UHFFFAOYSA-N 0 0 446.570 4.943 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289770 569467513 /nfs/dbraw/zinc/46/75/13/569467513.db2.gz BGFPTRJYQWDRDS-UHFFFAOYSA-N 0 0 446.532 4.531 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4OC)nccn3n2)cc1 ZINC000067290297 569467568 /nfs/dbraw/zinc/46/75/68/569467568.db2.gz KTTSQUZGHZOSPZ-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(C(F)(F)F)cc3)oc21 ZINC000067294000 569467848 /nfs/dbraw/zinc/46/78/48/569467848.db2.gz DKPMHUQZSQXCKY-BXLNZEQQSA-N 0 0 446.425 4.601 50 0 IJAARN Cn1c(/C=c2\sc3nc4ccccc4n3c2=O)ccc1-c1cc(Cl)cc(Cl)c1 ZINC000067300016 569468179 /nfs/dbraw/zinc/46/81/79/569468179.db2.gz VJGBFDNCEWGGNH-ODLFYWEKSA-N 0 0 426.328 4.769 50 0 IJAARN C[C@@H]1Cc2cc(-c3cc(CNC(=O)CSc4nc5ccccc5s4)no3)ccc2O1 ZINC000038752148 569468812 /nfs/dbraw/zinc/46/88/12/569468812.db2.gz WNFJVZGNTRAVBP-CYBMUJFWSA-N 0 0 437.546 4.683 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 ZINC000008602293 569469323 /nfs/dbraw/zinc/46/93/23/569469323.db2.gz SNBPXMMMSKYCPX-RDTXWAMCSA-N 0 0 448.589 4.975 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c1 ZINC000038943631 569469564 /nfs/dbraw/zinc/46/95/64/569469564.db2.gz NUNGTNBGJIEKQC-UHFFFAOYSA-N 0 0 443.341 4.789 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000008705414 569470404 /nfs/dbraw/zinc/47/04/04/569470404.db2.gz FNRJMXOIXXBPRF-UHFFFAOYSA-N 0 0 441.487 4.962 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008708152 569470651 /nfs/dbraw/zinc/47/06/51/569470651.db2.gz GOMBRJZYXJVIAP-CYBMUJFWSA-N 0 0 433.986 4.906 50 0 IJAARN COc1ccc([C@H](NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)c2ccccc2)cc1 ZINC000008709611 569470813 /nfs/dbraw/zinc/47/08/13/569470813.db2.gz YOEKBHBRPRHEBT-FTJBHMTQSA-N 0 0 432.589 4.972 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000008710984 569470964 /nfs/dbraw/zinc/47/09/64/569470964.db2.gz MKWUZAUTICIREL-UHFFFAOYSA-N 0 0 433.508 4.981 50 0 IJAARN O=C1Nc2ccc(Br)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000008717658 569471091 /nfs/dbraw/zinc/47/10/91/569471091.db2.gz HGFLNNYLVXKBDN-NFBKMPQASA-N 0 0 446.304 4.798 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 ZINC000008719391 569471454 /nfs/dbraw/zinc/47/14/54/569471454.db2.gz OFGFLGMTRTWYQG-MHZLTWQESA-N 0 0 439.515 4.613 50 0 IJAARN C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008720175 569471504 /nfs/dbraw/zinc/47/15/04/569471504.db2.gz OQXWWBNVWOOJIB-HXUWFJFHSA-N 0 0 427.504 4.708 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C(=O)NCC1CCCCC1 ZINC000008720695 569471648 /nfs/dbraw/zinc/47/16/48/569471648.db2.gz YARDKXBKZUHVNT-MRXNPFEDSA-N 0 0 439.560 4.646 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c(C)n1Cc1ccco1 ZINC000008726151 569472200 /nfs/dbraw/zinc/47/22/00/569472200.db2.gz FEYZZINAPSKFRB-UHFFFAOYSA-N 0 0 439.851 4.546 50 0 IJAARN COc1ccccc1-n1cnnc1S[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008747106 569473102 /nfs/dbraw/zinc/47/31/02/569473102.db2.gz QZNCHTJBQFIYSO-GOSISDBHSA-N 0 0 444.560 4.662 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000008747881 569473163 /nfs/dbraw/zinc/47/31/63/569473163.db2.gz USSSTEGPOFIBRQ-LBPRGKRZSA-N 0 0 442.894 4.631 50 0 IJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000008749036 569473212 /nfs/dbraw/zinc/47/32/12/569473212.db2.gz LSKBCUJJGKGDIC-UHFFFAOYSA-N 0 0 442.302 4.525 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C(=O)NC3CC3)c3ccccc3)nc(=O)c12 ZINC000008753549 569473725 /nfs/dbraw/zinc/47/37/25/569473725.db2.gz MWRSOGFECPCTJZ-ORAYPTAESA-N 0 0 441.622 4.994 50 0 IJAARN COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000008754189 569473827 /nfs/dbraw/zinc/47/38/27/569473827.db2.gz OJBBVAIKZJAMBH-LBPRGKRZSA-N 0 0 441.753 4.579 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 ZINC000008758501 569474196 /nfs/dbraw/zinc/47/41/96/569474196.db2.gz LWOPWGABLDFYIE-HXUWFJFHSA-N 0 0 441.531 4.931 50 0 IJAARN CCCCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3 ZINC000008765427 569474741 /nfs/dbraw/zinc/47/47/41/569474741.db2.gz VOPYZCVWZIBOCN-UHFFFAOYSA-N 0 0 436.508 4.652 50 0 biogenic IJAARN CCCCOc1c(C(=O)NCc2ccccc2Cl)nnn1Cc1ccccc1Cl ZINC000008773574 569475274 /nfs/dbraw/zinc/47/52/74/569475274.db2.gz CZJDEAUSOMKQOV-UHFFFAOYSA-N 0 0 433.339 4.742 50 0 IJAARN Cc1cc(C)nc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1 ZINC000008782609 569475827 /nfs/dbraw/zinc/47/58/27/569475827.db2.gz YHMMZEHQBKYIOQ-UHFFFAOYSA-N 0 0 435.709 4.600 50 0 IJAARN Cc1cc2oc(=O)c(CC(=O)NC[C@H]3CCCO3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791357 569476230 /nfs/dbraw/zinc/47/62/30/569476230.db2.gz NVSPQMTUSNDPJB-GOSISDBHSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1F ZINC000008825143 569477361 /nfs/dbraw/zinc/47/73/61/569477361.db2.gz XSROIKVDEPCVLZ-UHFFFAOYSA-N 0 0 443.272 4.858 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1ccncc1 ZINC000008825409 569477376 /nfs/dbraw/zinc/47/73/76/569477376.db2.gz OGNHSESGALJHED-KRWDZBQOSA-N 0 0 447.568 4.534 50 0 IJAARN O=C(Nc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1)c1ccco1 ZINC000008825547 569477416 /nfs/dbraw/zinc/47/74/16/569477416.db2.gz SQFWDEWECFSRKK-UHFFFAOYSA-N 0 0 440.253 4.923 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000008844600 569478661 /nfs/dbraw/zinc/47/86/61/569478661.db2.gz RNKHGVDVEMVWTL-UHFFFAOYSA-N 0 0 434.473 4.515 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(Cc2ccc(F)cc2)C3=O)c1 ZINC000008845162 569478751 /nfs/dbraw/zinc/47/87/51/569478751.db2.gz KAWDGYDMZDLWPI-DEOSSOPVSA-N 0 0 443.478 4.989 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 ZINC000008851558 569479392 /nfs/dbraw/zinc/47/93/92/569479392.db2.gz IQOJPNKTCVIEDW-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN O=C(CSc1nc(CC(=O)NCc2ccc(Cl)cc2)cs1)Nc1ccc(F)cc1 ZINC000008851903 569479393 /nfs/dbraw/zinc/47/93/93/569479393.db2.gz NLTPBDZQCIFOPU-UHFFFAOYSA-N 0 0 449.960 4.525 50 0 IJAARN Cc1ccsc1CN(C)C(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O ZINC000008853129 569479563 /nfs/dbraw/zinc/47/95/63/569479563.db2.gz RDKRPGDMXCMKFQ-UHFFFAOYSA-N 0 0 445.588 4.600 50 0 IJAARN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C)c1Cl)c1ccc(C)cc1 ZINC000008856563 569479793 /nfs/dbraw/zinc/47/97/93/569479793.db2.gz IPXPWJNHUDYXGN-MRXNPFEDSA-N 0 0 430.353 4.583 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1OC ZINC000008861351 569479969 /nfs/dbraw/zinc/47/99/69/569479969.db2.gz OEEMVFBYWHAADP-UHFFFAOYSA-N 0 0 435.509 4.504 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008867487 569480289 /nfs/dbraw/zinc/48/02/89/569480289.db2.gz XVVFAULNAMRMGI-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000008871461 569480845 /nfs/dbraw/zinc/48/08/45/569480845.db2.gz SBXOWPLRHRYHQM-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000039535903 569481718 /nfs/dbraw/zinc/48/17/18/569481718.db2.gz MDRNRFYRBCAFLW-AREMUKBSSA-N 0 0 435.483 4.557 50 0 IJAARN O=C(CSc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(Br)cc1 ZINC000039930928 569482027 /nfs/dbraw/zinc/48/20/27/569482027.db2.gz MYIJEPAHBKEQFX-UHFFFAOYSA-N 0 0 435.730 4.623 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000039978214 569482181 /nfs/dbraw/zinc/48/21/81/569482181.db2.gz GVHBFCSROBGLKI-UHFFFAOYSA-N 0 0 447.560 4.800 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)cc1 ZINC000040023583 569482716 /nfs/dbraw/zinc/48/27/16/569482716.db2.gz UNBXIJSGUYQFIL-UHFFFAOYSA-N 0 0 425.492 4.505 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(Cl)cnc4[nH]3)cs2)cc1 ZINC000008895961 569483860 /nfs/dbraw/zinc/48/38/60/569483860.db2.gz HLZKGQLYYNKNCU-UHFFFAOYSA-N 0 0 429.958 4.850 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000008896223 569483887 /nfs/dbraw/zinc/48/38/87/569483887.db2.gz DJLCJVXJPVNTFT-UHFFFAOYSA-N 0 0 439.471 4.945 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1cc(C)on1 ZINC000008896390 569483920 /nfs/dbraw/zinc/48/39/20/569483920.db2.gz WZSJTKOKYHMAJS-UHFFFAOYSA-N 0 0 445.475 4.723 50 0 IJAARN COc1ccc(N2C(=S)N[C@H](c3ccc(C)s3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000040050434 569484243 /nfs/dbraw/zinc/48/42/43/569484243.db2.gz GLRGGHRQDGYQKD-HXUWFJFHSA-N 0 0 446.594 4.735 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N3CCCN(Cc4ccc(F)cc4)CC3)o2)cc1C ZINC000040051013 569484356 /nfs/dbraw/zinc/48/43/56/569484356.db2.gz MMJWJXNQELPNJW-UHFFFAOYSA-N 0 0 435.543 4.765 50 0 IJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000040056808 569484526 /nfs/dbraw/zinc/48/45/26/569484526.db2.gz PCIRTDVEOLIAQK-HNNXBMFYSA-N 0 0 446.956 4.551 50 0 IJAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000040059642 569484718 /nfs/dbraw/zinc/48/47/18/569484718.db2.gz NAYBTDPISGITBN-UHFFFAOYSA-N 0 0 425.941 4.628 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)sc2c1CCCC2 ZINC000008915323 569485513 /nfs/dbraw/zinc/48/55/13/569485513.db2.gz YWWAGLXEJWKXSU-UHFFFAOYSA-N 0 0 425.506 4.779 50 0 IJAARN O=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000008917339 569485983 /nfs/dbraw/zinc/48/59/83/569485983.db2.gz SBSWNXVPUFTAJJ-NSHDSACASA-N 0 0 444.361 4.631 50 0 IJAARN CCOc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)cc2c3ccccc3[nH]c21 ZINC000008918543 569486259 /nfs/dbraw/zinc/48/62/59/569486259.db2.gz VKIUOKHYPPOXEJ-UHFFFAOYSA-N 0 0 439.519 4.798 50 0 biogenic IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000008922486 569486907 /nfs/dbraw/zinc/48/69/07/569486907.db2.gz RTSZNFQPLBTQNJ-MHZLTWQESA-N 0 0 429.516 4.525 50 0 IJAARN COc1cc2c(cc1NC(=O)N1CCN(C(=O)c3ccccc3)CC1)oc1ccccc12 ZINC000040097950 569487556 /nfs/dbraw/zinc/48/75/56/569487556.db2.gz PAUVCKUPXHAHMK-UHFFFAOYSA-N 0 0 429.476 4.585 50 0 IJAARN COc1ccccc1C[NH2+]Cc1c(C)n(Cc2c(F)cccc2Cl)c(C)c1C(=O)[O-] ZINC000008932542 569487639 /nfs/dbraw/zinc/48/76/39/569487639.db2.gz JWELZSMVCGWYKI-UHFFFAOYSA-N 0 0 430.907 4.942 50 0 IJAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccc(Cl)cc3)c(C(=O)[O-])c2C)c1 ZINC000008932918 569487738 /nfs/dbraw/zinc/48/77/38/569487738.db2.gz SFRYEXSSIOHPJX-UHFFFAOYSA-N 0 0 426.944 4.846 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000040110498 569488719 /nfs/dbraw/zinc/48/87/19/569488719.db2.gz PDAUXKPTZDAQIF-IBGZPJMESA-N 0 0 432.973 4.626 50 0 IJAARN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(Cn2cccn2)cc1 ZINC000040119323 569489372 /nfs/dbraw/zinc/48/93/72/569489372.db2.gz GOFMZJAJSOPJDE-DEOSSOPVSA-N 0 0 439.494 4.592 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119822 569489417 /nfs/dbraw/zinc/48/94/17/569489417.db2.gz FBPCUFCEIKTLFQ-HUUCEWRRSA-N 0 0 427.599 4.722 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 ZINC000040121954 569489564 /nfs/dbraw/zinc/48/95/64/569489564.db2.gz SLGXSNUDPTZWJQ-KRWDZBQOSA-N 0 0 435.572 4.594 50 0 IJAARN CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000008952691 569490014 /nfs/dbraw/zinc/49/00/14/569490014.db2.gz PKNLXFXHLUZFRI-UHFFFAOYSA-N 0 0 441.524 4.792 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccccc3Br)cc2OCC(C)(C)C1=O ZINC000008958944 569490213 /nfs/dbraw/zinc/49/02/13/569490213.db2.gz JXAXYBNNVCYBOM-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN CSc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000040133766 569490467 /nfs/dbraw/zinc/49/04/67/569490467.db2.gz CZEPHZPICOTWHU-KRWDZBQOSA-N 0 0 425.575 4.873 50 0 IJAARN C[C@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000040135315 569490692 /nfs/dbraw/zinc/49/06/92/569490692.db2.gz WFTGMOCJRSNAQJ-RDJZCZTQSA-N 0 0 429.549 4.511 50 0 IJAARN C[C@@H]1CC[C@@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000040135316 569490719 /nfs/dbraw/zinc/49/07/19/569490719.db2.gz WFTGMOCJRSNAQJ-NVXWUHKLSA-N 0 0 429.549 4.511 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1Cl ZINC000008961332 569490960 /nfs/dbraw/zinc/49/09/60/569490960.db2.gz HFEDHLHBIICIEC-UHFFFAOYSA-N 0 0 444.896 4.816 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000008961477 569491060 /nfs/dbraw/zinc/49/10/60/569491060.db2.gz HXILWLAKVCZMDF-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000008965189 569491334 /nfs/dbraw/zinc/49/13/34/569491334.db2.gz QAODVMAJYDHVDI-QGZVFWFLSA-N 0 0 434.927 4.966 50 0 IJAARN CC[C@@H](C(=O)NCCCc1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965269 569491402 /nfs/dbraw/zinc/49/14/02/569491402.db2.gz CZUTTWITMIUSMO-DEOSSOPVSA-N 0 0 442.563 4.504 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000008965362 569491423 /nfs/dbraw/zinc/49/14/23/569491423.db2.gz XDIRTBFXJLDSIA-IEGUWTFLSA-N 0 0 434.584 4.525 50 0 IJAARN CCc1ccccc1NC(=O)CCCn1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965333 569491463 /nfs/dbraw/zinc/49/14/63/569491463.db2.gz BZZPNYMBYCNXGA-UHFFFAOYSA-N 0 0 428.536 4.785 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)cn1 ZINC000040142426 569491912 /nfs/dbraw/zinc/49/19/12/569491912.db2.gz LKYJZASRSFQECN-UHFFFAOYSA-N 0 0 426.542 4.629 50 0 IJAARN CCCCCCn1c2ccccc2nc1S(=O)(=O)Cc1noc(-c2ccsc2)n1 ZINC000040152127 569493440 /nfs/dbraw/zinc/49/34/40/569493440.db2.gz XYKZXERJWZLPBG-UHFFFAOYSA-N 0 0 430.555 4.702 50 0 IJAARN CC(C)N(C[C@@H]1CCCN(C(=O)c2cccc(Br)c2)C1)C(=O)OC(C)(C)C ZINC000040153021 569493524 /nfs/dbraw/zinc/49/35/24/569493524.db2.gz NCBRFJOBIOMTKF-MRXNPFEDSA-N 0 0 439.394 4.947 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000040155110 569493855 /nfs/dbraw/zinc/49/38/55/569493855.db2.gz QISWVOVRSVXIOV-UHFFFAOYSA-N 0 0 442.275 4.833 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000040155656 569493983 /nfs/dbraw/zinc/49/39/83/569493983.db2.gz PBEICDSMOHCPJR-UHFFFAOYSA-N 0 0 445.397 4.804 50 0 IJAARN CC(=O)Nc1cccc(CN2C(=O)[C@H](Oc3ccccc3F)[C@H]2c2cc(F)ccc2F)c1 ZINC000040157772 569494345 /nfs/dbraw/zinc/49/43/45/569494345.db2.gz XSRYKYCMQKYMQB-DHIUTWEWSA-N 0 0 440.421 4.593 50 0 IJAARN O=C(CCNc1ncnc2scc(-c3ccc(Br)cc3)c21)N1CCCC1 ZINC000008988507 569494966 /nfs/dbraw/zinc/49/49/66/569494966.db2.gz MWIUCTPZMBWMEI-UHFFFAOYSA-N 0 0 431.359 4.545 50 0 IJAARN COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCc3ccccc3)ccc2c1=O ZINC000008990792 569495072 /nfs/dbraw/zinc/49/50/72/569495072.db2.gz IABSKQSLFUZFKV-UHFFFAOYSA-N 0 0 445.471 4.598 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000008994074 569495485 /nfs/dbraw/zinc/49/54/85/569495485.db2.gz BOJSCVQTGUVEJB-UHFFFAOYSA-N 0 0 440.341 4.604 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccncc1)occ3-c1ccc(F)cc1 ZINC000008997199 569495844 /nfs/dbraw/zinc/49/58/44/569495844.db2.gz IATRKRDZNFVRTH-UHFFFAOYSA-N 0 0 442.446 4.908 50 0 IJAARN COc1ccc(-c2nn3c(nc(C)cc3NCCc3ccc(OC)c(OC)c3)c2C)cc1 ZINC000040216853 569496509 /nfs/dbraw/zinc/49/65/09/569496509.db2.gz JMLHLXCOYVLODE-UHFFFAOYSA-N 0 0 432.524 4.694 50 0 IJAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccccc1-c1ccccc1 ZINC000009042824 569497733 /nfs/dbraw/zinc/49/77/33/569497733.db2.gz SDECLJBKXOTUHY-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CCNC(=O)c3ccccc3Cl)ccc2OC)cc1 ZINC000009053049 569498800 /nfs/dbraw/zinc/49/88/00/569498800.db2.gz PGCWHHVXYRVEJN-UHFFFAOYSA-N 0 0 438.911 4.783 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2C2CCCC2)cc1 ZINC000009056355 569499062 /nfs/dbraw/zinc/49/90/62/569499062.db2.gz XOWZPDUSGSISRV-FQEVSTJZSA-N 0 0 442.629 4.745 50 0 IJAARN CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009058898 569499261 /nfs/dbraw/zinc/49/92/61/569499261.db2.gz ILOKHKQBUKYISG-HXUWFJFHSA-N 0 0 436.515 4.851 50 0 IJAARN COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(OC)cc1 ZINC000009060048 569499378 /nfs/dbraw/zinc/49/93/78/569499378.db2.gz NDKMNRBAIIEKQM-UHFFFAOYSA-N 0 0 432.524 4.946 50 0 IJAARN O=C(Nc1ccc2sc(-c3ccc(NC(=O)C(F)(F)F)cc3O)nc2c1)C(F)(F)F ZINC000009065137 569499688 /nfs/dbraw/zinc/49/96/88/569499688.db2.gz BRHUOTRQIRRXNC-UHFFFAOYSA-N 0 0 449.332 4.671 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000009075471 569500250 /nfs/dbraw/zinc/50/02/50/569500250.db2.gz LUXQYJBKOJLKOU-KRWDZBQOSA-N 0 0 447.310 4.871 50 0 IJAARN Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2C ZINC000009076268 569500323 /nfs/dbraw/zinc/50/03/23/569500323.db2.gz PWZDKQBMBIIPAI-ZHZULCJRSA-N 0 0 427.891 4.865 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000245238909 569500533 /nfs/dbraw/zinc/50/05/33/569500533.db2.gz CKWZRIIVAWQGJX-SJALLCLDSA-N 0 0 449.551 4.603 50 0 IJAARN Cc1ccc(N(CCN2C(=O)c3cccc4cccc(c43)C2=O)C(=O)c2cccnc2)c(C)c1 ZINC000009086618 569500676 /nfs/dbraw/zinc/50/06/76/569500676.db2.gz JDVMPDZYUYQGJU-UHFFFAOYSA-N 0 0 449.510 4.795 50 0 IJAARN Cc1s/c(=N\C(=O)c2ccccc2Cl)n(Cc2ccccc2C(=O)NC2CC2)c1C ZINC000040388381 569500909 /nfs/dbraw/zinc/50/09/09/569500909.db2.gz LMWYSNCAXXEVBX-RWEWTDSWSA-N 0 0 439.968 4.501 50 0 IJAARN COc1cccc(Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000009116541 569502987 /nfs/dbraw/zinc/50/29/87/569502987.db2.gz YLBDVEXNCIOZMD-UHFFFAOYSA-N 0 0 426.472 4.572 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)CC2)cc1 ZINC000009117290 569503089 /nfs/dbraw/zinc/50/30/89/569503089.db2.gz ZJXZBWBBOUZWSV-UHFFFAOYSA-N 0 0 445.592 4.607 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccccc5C)CC4)sc3n2)cc1 ZINC000009117328 569503135 /nfs/dbraw/zinc/50/31/35/569503135.db2.gz NYTAIQFBGVCPHG-UHFFFAOYSA-N 0 0 445.592 4.607 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)OCc1cc(=O)oc2cc(Br)ccc12 ZINC000009119705 569503645 /nfs/dbraw/zinc/50/36/45/569503645.db2.gz GUQDHMLKFWQGSE-UHFFFAOYSA-N 0 0 441.199 4.860 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@H]1C)c1ccccc1 ZINC000245329269 569504028 /nfs/dbraw/zinc/50/40/28/569504028.db2.gz SCZGKSHNSOVJLA-TZIWHRDSSA-N 0 0 446.551 4.508 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000245343643 569504551 /nfs/dbraw/zinc/50/45/51/569504551.db2.gz UYNSPRAVMCDDMR-YZZKKUAISA-N 0 0 440.584 4.980 50 0 IJAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000009125149 569504569 /nfs/dbraw/zinc/50/45/69/569504569.db2.gz GIFOIOMAICMSCH-SANMLTNESA-N 0 0 434.536 4.783 50 0 IJAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)[C@H]1C ZINC000245343927 569504572 /nfs/dbraw/zinc/50/45/72/569504572.db2.gz WMYQUEQAOJCJMM-TYILLQQXSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1-c1nccs1 ZINC000009125713 569504685 /nfs/dbraw/zinc/50/46/85/569504685.db2.gz WIRWICRYTDGGOH-UHFFFAOYSA-N 0 0 439.562 4.909 50 0 IJAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1N1CCCC1 ZINC000009126652 569504961 /nfs/dbraw/zinc/50/49/61/569504961.db2.gz OSGCDOFIWYJOPC-UHFFFAOYSA-N 0 0 426.520 4.854 50 0 IJAARN O=c1c(Cl)c(NCCc2ccc(Cl)cc2Cl)cnn1-c1nc2ccccc2[nH]1 ZINC000009129177 569505616 /nfs/dbraw/zinc/50/56/16/569505616.db2.gz KXUGLNOMPUBANS-UHFFFAOYSA-N 0 0 434.714 4.724 50 0 IJAARN CSCC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nnc2ccccn21 ZINC000009129957 569505920 /nfs/dbraw/zinc/50/59/20/569505920.db2.gz UHKNYEVYOFOLEA-SFHVURJKSA-N 0 0 428.989 4.805 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3ccccc3nc2SCc2cn3c(n2)nc(C)cc3C)c1 ZINC000009144395 569507301 /nfs/dbraw/zinc/50/73/01/569507301.db2.gz XGWSJWZECQPBSV-UHFFFAOYSA-N 0 0 441.560 4.954 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000069565180 569507347 /nfs/dbraw/zinc/50/73/47/569507347.db2.gz YBEGMABDGOBVRT-UHFFFAOYSA-N 0 0 434.487 4.654 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1cc(C)ccc1C)n2C ZINC000009153625 569508120 /nfs/dbraw/zinc/50/81/20/569508120.db2.gz DNCULIIEDYDUKS-UHFFFAOYSA-N 0 0 437.543 4.926 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc2OCC(C)(C)C1=O ZINC000009172177 569509480 /nfs/dbraw/zinc/50/94/80/569509480.db2.gz KXAPEJHAUZSKRM-UHFFFAOYSA-N 0 0 436.961 4.611 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000009175738 569509699 /nfs/dbraw/zinc/50/96/99/569509699.db2.gz NYSISGHLYBZQBM-BEFAXECRSA-N 0 0 441.984 4.826 50 0 IJAARN O=S(=O)(c1ccccc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000009194021 569510876 /nfs/dbraw/zinc/51/08/76/569510876.db2.gz KHZZKMYNISXDQE-UHFFFAOYSA-N 0 0 431.945 4.914 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009207901 569511434 /nfs/dbraw/zinc/51/14/34/569511434.db2.gz TYVXBQSIUAZVLC-MBSDFSHPSA-N 0 0 436.943 4.639 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000009207151 569511458 /nfs/dbraw/zinc/51/14/58/569511458.db2.gz FHYVSGKZKDJIPG-UHFFFAOYSA-N 0 0 447.516 4.972 50 0 IJAARN COC(=O)[C@H](C)NC(=O)NCc1c2ccccc2n(Cc2ccccc2)c1-c1cccs1 ZINC000009211827 569511910 /nfs/dbraw/zinc/51/19/10/569511910.db2.gz AGVUFVNIIWMYJE-KRWDZBQOSA-N 0 0 447.560 4.779 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnc(-c3ccccc3F)o2)C1=O ZINC000009217229 569512269 /nfs/dbraw/zinc/51/22/69/569512269.db2.gz GTZIGCBUOGLQAE-KRWDZBQOSA-N 0 0 445.903 4.843 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccco1 ZINC000009217783 569512327 /nfs/dbraw/zinc/51/23/27/569512327.db2.gz RKDAFBCAEXTQMI-OAQYLSRUSA-N 0 0 448.906 4.851 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009238165 569514236 /nfs/dbraw/zinc/51/42/36/569514236.db2.gz GICYIEITCMBFEN-RTWAWAEBSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238273 569514276 /nfs/dbraw/zinc/51/42/76/569514276.db2.gz FNRGXWFEFJSGLT-RTWAWAEBSA-N 0 0 427.533 4.651 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238290 569514302 /nfs/dbraw/zinc/51/43/02/569514302.db2.gz LLZQJIISQSTCHP-PMACEKPBSA-N 0 0 447.951 4.996 50 0 IJAARN CCCN(CCC)C(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(C)cc1 ZINC000009238681 569514341 /nfs/dbraw/zinc/51/43/41/569514341.db2.gz JVFMSYAGELZABS-RTWAWAEBSA-N 0 0 435.597 4.661 50 0 IJAARN CCCN(CCC)C(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(C)cc1 ZINC000009238682 569514353 /nfs/dbraw/zinc/51/43/53/569514353.db2.gz JVFMSYAGELZABS-NHCUHLMSSA-N 0 0 435.597 4.661 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239403 569514564 /nfs/dbraw/zinc/51/45/64/569514564.db2.gz OZYKHIBPMWUWLY-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1CC)S2 ZINC000009239411 569514579 /nfs/dbraw/zinc/51/45/79/569514579.db2.gz ZRVKCPVHHVGXMI-UXHICEINSA-N 0 0 441.988 4.844 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccs1 ZINC000009245289 569515257 /nfs/dbraw/zinc/51/52/57/569515257.db2.gz PJTSMALZNNQTIG-UHFFFAOYSA-N 0 0 443.579 4.500 50 0 IJAARN COc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000009250172 569515682 /nfs/dbraw/zinc/51/56/82/569515682.db2.gz XVHNTTXNCROODH-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NCc2ccccc2)cc1 ZINC000009250246 569515721 /nfs/dbraw/zinc/51/57/21/569515721.db2.gz ZRTDVVZKJAXYDA-UHFFFAOYSA-N 0 0 433.577 4.922 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000009251165 569515811 /nfs/dbraw/zinc/51/58/11/569515811.db2.gz WEMPFMKSOGJKDI-UHFFFAOYSA-N 0 0 439.969 4.741 50 0 IJAARN COc1ccc(-c2nnc(SCCOc3cccc(Br)c3)o2)cc1OC ZINC000009508084 569542265 /nfs/dbraw/zinc/54/22/65/569542265.db2.gz CCBNEKOZKRGBQW-UHFFFAOYSA-N 0 0 437.315 4.687 50 0 IJAARN COc1cc([C@@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)cc(OC)c1OC ZINC000009260538 569516954 /nfs/dbraw/zinc/51/69/54/569516954.db2.gz GWHPVEIGIFGCOT-HNNXBMFYSA-N 0 0 428.535 4.827 50 0 IJAARN COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000009266734 569517447 /nfs/dbraw/zinc/51/74/47/569517447.db2.gz COYBIWNYODPIPA-UHFFFAOYSA-N 0 0 426.520 4.853 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Nc3ccccc3F)c2)cc1 ZINC000009283009 569518768 /nfs/dbraw/zinc/51/87/68/569518768.db2.gz LMPBLZMFBLUZKA-UHFFFAOYSA-N 0 0 429.473 4.588 50 0 IJAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000009288801 569519432 /nfs/dbraw/zinc/51/94/32/569519432.db2.gz MMTHQMMIPTYXNT-MDWZMJQESA-N 0 0 445.910 4.968 50 0 IJAARN CC(C)C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000009288871 569519499 /nfs/dbraw/zinc/51/94/99/569519499.db2.gz DCIGJUVZQVTHPB-UHFFFAOYSA-N 0 0 427.508 4.827 50 0 IJAARN Cc1csc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C(C)C)n1 ZINC000009289868 569519650 /nfs/dbraw/zinc/51/96/50/569519650.db2.gz UIOITTGGDRKGLR-UHFFFAOYSA-N 0 0 431.587 4.551 50 0 IJAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(C)cc3C)n2C(C)C)n1 ZINC000009289853 569519666 /nfs/dbraw/zinc/51/96/66/569519666.db2.gz QMOGUJWALQWWLG-INIZCTEOSA-N 0 0 445.614 4.939 50 0 IJAARN CSc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009292332 569519997 /nfs/dbraw/zinc/51/99/97/569519997.db2.gz VNKJAEUYKBMNEQ-GOTSBHOMSA-N 0 0 425.517 4.608 50 0 IJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3OC)c3ccccn32)c1 ZINC000009316946 569522310 /nfs/dbraw/zinc/52/23/10/569522310.db2.gz DVBXIHXMSCILCH-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 ZINC000009320567 569522529 /nfs/dbraw/zinc/52/25/29/569522529.db2.gz DWDQKKNWUDMGIS-XMMPIXPASA-N 0 0 441.531 4.731 50 0 IJAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009344418 569524011 /nfs/dbraw/zinc/52/40/11/569524011.db2.gz ICEKGRRUGYMJIN-UHFFFAOYSA-N 0 0 441.520 4.822 50 0 IJAARN COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 ZINC000009346102 569524179 /nfs/dbraw/zinc/52/41/79/569524179.db2.gz VNNKLUQHGRJDMV-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1CSc1nc(C)cc(C)n1 ZINC000009349320 569524721 /nfs/dbraw/zinc/52/47/21/569524721.db2.gz RQAYYVLHSLLXFW-UHFFFAOYSA-N 0 0 436.537 4.605 50 0 IJAARN COc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000009350363 569524832 /nfs/dbraw/zinc/52/48/32/569524832.db2.gz FKFGVTSLBAVIMT-HXUWFJFHSA-N 0 0 435.911 4.947 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009350958 569524915 /nfs/dbraw/zinc/52/49/15/569524915.db2.gz KPLIERGPRFYIPI-UHFFFAOYSA-N 0 0 443.609 4.636 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2OC)cc1 ZINC000009360463 569525758 /nfs/dbraw/zinc/52/57/58/569525758.db2.gz UHIGVWZZSKRJEE-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN O=C(CSc1nnc(NC(=O)Cc2cccc3ccccc32)s1)Nc1ccccc1 ZINC000009364106 569525979 /nfs/dbraw/zinc/52/59/79/569525979.db2.gz CWRAAPBLISIRJG-UHFFFAOYSA-N 0 0 434.546 4.603 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccs2)s1)Nc1ccccc1C(F)(F)F ZINC000009365563 569526193 /nfs/dbraw/zinc/52/61/93/569526193.db2.gz GUPMAYXRNZDAEC-UHFFFAOYSA-N 0 0 444.485 4.602 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)cc1 ZINC000009368636 569526687 /nfs/dbraw/zinc/52/66/87/569526687.db2.gz FRNKPAOIASUPOF-LJQANCHMSA-N 0 0 445.338 4.891 50 0 IJAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000009377079 569527373 /nfs/dbraw/zinc/52/73/73/569527373.db2.gz FMZZUSNZFAQFJK-AWEZNQCLSA-N 0 0 445.928 4.502 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)CC(C)(C)C ZINC000009381546 569528144 /nfs/dbraw/zinc/52/81/44/569528144.db2.gz YZYPWTXCEFBWRX-UHFFFAOYSA-N 0 0 447.944 4.652 50 0 IJAARN CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CCc1ccccc1 ZINC000009390910 569528792 /nfs/dbraw/zinc/52/87/92/569528792.db2.gz LDFJTFLSBMESRW-UHFFFAOYSA-N 0 0 438.641 4.854 50 0 IJAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2Cl)c1 ZINC000009391156 569528878 /nfs/dbraw/zinc/52/88/78/569528878.db2.gz MUWWQATZDCWMRN-OAQYLSRUSA-N 0 0 427.957 4.961 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)[C@@H]1COc2ccccc2O1 ZINC000009391422 569528944 /nfs/dbraw/zinc/52/89/44/569528944.db2.gz RBEUTRSSNUOWPF-FQEVSTJZSA-N 0 0 442.496 4.820 50 0 IJAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCC(=O)NC3CCCC3)c3ccccc32)c1 ZINC000009394625 569529152 /nfs/dbraw/zinc/52/91/52/569529152.db2.gz MFRDKDMNEHWMCW-UHFFFAOYSA-N 0 0 449.620 4.839 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000009396785 569529178 /nfs/dbraw/zinc/52/91/78/569529178.db2.gz DSUATJCSKHXIIN-UHFFFAOYSA-N 0 0 447.409 4.755 50 0 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4.920 50 0 IJAARN COc1cccc(-c2cc(OC(=O)COc3ccccc3OC)cc3sc(=O)oc32)c1 ZINC000009430772 569534016 /nfs/dbraw/zinc/53/40/16/569534016.db2.gz ZQMJEOIQTYBSJX-UHFFFAOYSA-N 0 0 438.457 4.523 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)cc2c1 ZINC000009431097 569534086 /nfs/dbraw/zinc/53/40/86/569534086.db2.gz CIHBOWLQLVLECT-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN CCc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)cc1 ZINC000009432738 569534407 /nfs/dbraw/zinc/53/44/07/569534407.db2.gz AQWHLKXBKWGHTJ-ZEQRLZLVSA-N 0 0 448.588 4.554 50 0 IJAARN COc1cccc(C2=N/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)O2)c1 ZINC000009434395 569534678 /nfs/dbraw/zinc/53/46/78/569534678.db2.gz ZJOQRKLEVJEBHD-XKZIYDEJSA-N 0 0 429.472 4.936 50 0 IJAARN Cc1cc2c(cc3c(SCC(=O)Nc4ccc(Br)cc4F)nnc(C)n23)o1 ZINC000009442918 569535648 /nfs/dbraw/zinc/53/56/48/569535648.db2.gz DJXGBNUHHXLSLA-UHFFFAOYSA-N 0 0 449.305 4.725 50 0 IJAARN CC[C@H](Sc1nnc(C)n2c3ccoc3cc12)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000009442830 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0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)NCCc4ccc(Cl)cc4)c(=O)c23)s1 ZINC000009478191 569539339 /nfs/dbraw/zinc/53/93/39/569539339.db2.gz QIAHSJXNDPTVFD-UHFFFAOYSA-N 0 0 443.981 4.507 50 0 IJAARN Brc1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 ZINC000009486161 569539590 /nfs/dbraw/zinc/53/95/90/569539590.db2.gz ZBMDZXZOWDSKOC-UHFFFAOYSA-N 0 0 438.310 4.743 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CSCc3cccc(C)c3)n2)cc1 ZINC000009494428 569540936 /nfs/dbraw/zinc/54/09/36/569540936.db2.gz BPXUWQRAEPTKQU-UHFFFAOYSA-N 0 0 425.579 4.627 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009495908 569541168 /nfs/dbraw/zinc/54/11/68/569541168.db2.gz VGAQIJATOLXAOC-UHFFFAOYSA-N 0 0 440.472 4.971 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000009500552 569541551 /nfs/dbraw/zinc/54/15/51/569541551.db2.gz YCICBVYLQQPUGF-CQSZACIVSA-N 0 0 431.945 4.617 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccccc1F ZINC000009507139 569541950 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IJAARN COc1ccc(-c2nc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cc1OC ZINC000009530860 569545055 /nfs/dbraw/zinc/54/50/55/569545055.db2.gz CLWYKKUCJKWJQG-UHFFFAOYSA-N 0 0 438.427 4.907 50 0 IJAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)C1CC1 ZINC000009533820 569545439 /nfs/dbraw/zinc/54/54/39/569545439.db2.gz ZFKRKUHDOAQWGW-LLVKDONJSA-N 0 0 446.878 4.688 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 ZINC000009536102 569545520 /nfs/dbraw/zinc/54/55/20/569545520.db2.gz LHDPFKATJGWQCG-FQEVSTJZSA-N 0 0 440.544 4.611 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc4ccccc4c3)ccc2OC)cc1 ZINC000009537403 569545597 /nfs/dbraw/zinc/54/55/97/569545597.db2.gz WAIDKCXTEFJMBF-UHFFFAOYSA-N 0 0 440.499 4.893 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000009540252 569545796 /nfs/dbraw/zinc/54/57/96/569545796.db2.gz JYWAETXBJOQTJO-XMMPIXPASA-N 0 0 436.511 4.753 50 0 IJAARN C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)C1 ZINC000009544749 569546049 /nfs/dbraw/zinc/54/60/49/569546049.db2.gz NRHXKCKBMAJGNY-KRWDZBQOSA-N 0 0 441.000 4.997 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009545155 569546070 /nfs/dbraw/zinc/54/60/70/569546070.db2.gz DXITXTGEILQHAY-UHFFFAOYSA-N 0 0 445.972 4.567 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1 ZINC000009547150 569546384 /nfs/dbraw/zinc/54/63/84/569546384.db2.gz YZVYZDDLYOXCMI-AWEZNQCLSA-N 0 0 427.932 4.815 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000009556519 569546831 /nfs/dbraw/zinc/54/68/31/569546831.db2.gz ORDKJBPSRJSXGH-NHCUHLMSSA-N 0 0 442.559 4.964 50 0 IJAARN Cc1cc(C)n2c(nc(-c3ccc(Br)o3)c2Nc2ccc3c(c2)OCCO3)n1 ZINC000009560710 569547138 /nfs/dbraw/zinc/54/71/38/569547138.db2.gz JTUIHPCLTWIZMW-UHFFFAOYSA-N 0 0 441.285 4.883 50 0 IJAARN CCC[C@@H](C)NC(=O)Cn1c2ccccc2nc1[C@H](CC(C)C)NC(=O)c1ccccc1 ZINC000009561875 569547234 /nfs/dbraw/zinc/54/72/34/569547234.db2.gz MYEHDGAIXSGQCO-KNQAVFIVSA-N 0 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/nfs/dbraw/zinc/54/97/05/569549705.db2.gz OIVNEJGPGRELSP-UHFFFAOYSA-N 0 0 443.579 4.588 50 0 IJAARN CCCCn1nnnc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000009588790 569549868 /nfs/dbraw/zinc/54/98/68/569549868.db2.gz HAKCNJOKEUNHLJ-UHFFFAOYSA-N 0 0 425.949 4.667 50 0 IJAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)c2ccc(OC)cc2)cc1 ZINC000009591213 569550189 /nfs/dbraw/zinc/55/01/89/569550189.db2.gz OHOGGADKVOOXFF-UHFFFAOYSA-N 0 0 448.910 4.916 50 0 IJAARN COc1ccc(OCc2nnc(SCc3cc(C)no3)n2-c2ccccc2F)cc1 ZINC000009593353 569550412 /nfs/dbraw/zinc/55/04/12/569550412.db2.gz YJRAMPZIDVVYKB-UHFFFAOYSA-N 0 0 426.473 4.583 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009595360 569550715 /nfs/dbraw/zinc/55/07/15/569550715.db2.gz HCHJTOFCNSISEE-UHFFFAOYSA-N 0 0 437.927 4.563 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)o2)cc1 ZINC000009604380 569551811 /nfs/dbraw/zinc/55/18/11/569551811.db2.gz ZNUMMRJVOBPOCY-UHFFFAOYSA-N 0 0 438.553 4.856 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(C)n2n1 ZINC000009609742 569552414 /nfs/dbraw/zinc/55/24/14/569552414.db2.gz QNWOKFAWWXDTMN-KRWDZBQOSA-N 0 0 428.536 4.832 50 0 IJAARN Cc1cccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000009610769 569552610 /nfs/dbraw/zinc/55/26/10/569552610.db2.gz ZJJSBFZXLKMAEG-UHFFFAOYSA-N 0 0 431.875 4.971 50 0 IJAARN COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)c1 ZINC000009612073 569552800 /nfs/dbraw/zinc/55/28/00/569552800.db2.gz PMAJJWRGHROGIS-UHFFFAOYSA-N 0 0 444.560 4.698 50 0 IJAARN COc1cc(OC)c(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)cc1Cl ZINC000009614957 569553169 /nfs/dbraw/zinc/55/31/69/569553169.db2.gz NYLTXYDKMFEOHI-UHFFFAOYSA-N 0 0 431.945 4.666 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000009631519 569553783 /nfs/dbraw/zinc/55/37/83/569553783.db2.gz UTDJGQCMZLRLNG-UHFFFAOYSA-N 0 0 429.476 4.528 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cccnc1 ZINC000009631816 569553795 /nfs/dbraw/zinc/55/37/95/569553795.db2.gz FAJGGXZXVPDHRG-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCc3cc(OC)c(OC)c(OC)c3)sc2C)cc1 ZINC000009631818 569553814 /nfs/dbraw/zinc/55/38/14/569553814.db2.gz XWVLFZLUUUWCLR-UHFFFAOYSA-N 0 0 442.537 4.724 50 0 IJAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000009634645 569554503 /nfs/dbraw/zinc/55/45/03/569554503.db2.gz HKOMVUFEUIDKOX-UHFFFAOYSA-N 0 0 431.532 4.906 50 0 IJAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)OC)C1 ZINC000009639094 569555102 /nfs/dbraw/zinc/55/51/02/569555102.db2.gz BBSWNIOEVJCTFV-UHFFFAOYSA-N 0 0 444.553 4.599 50 0 IJAARN Cc1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009639065 569555116 /nfs/dbraw/zinc/55/51/16/569555116.db2.gz IUUBNGAIACXJDC-UHFFFAOYSA-N 0 0 433.371 4.807 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1C ZINC000009642011 569555785 /nfs/dbraw/zinc/55/57/85/569555785.db2.gz CNPPNXPHQRGVCL-KRWDZBQOSA-N 0 0 441.597 4.653 50 0 IJAARN CCOCCCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccncc1 ZINC000009647212 569556410 /nfs/dbraw/zinc/55/64/10/569556410.db2.gz UZHJSZBWFOANNX-QGZVFWFLSA-N 0 0 449.580 4.920 50 0 IJAARN Cc1noc(C)c1COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009661931 569557079 /nfs/dbraw/zinc/55/70/79/569557079.db2.gz APMJURRDPOQPLM-UHFFFAOYSA-N 0 0 448.397 4.685 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1NC(=O)c1ccco1 ZINC000009663401 569557267 /nfs/dbraw/zinc/55/72/67/569557267.db2.gz LAGAADJTXGRGRE-UHFFFAOYSA-N 0 0 446.381 4.655 50 0 IJAARN Cc1ccc2nc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)sc2c1 ZINC000009664219 569557370 /nfs/dbraw/zinc/55/73/70/569557370.db2.gz XUSOEDFLRKSZTB-UHFFFAOYSA-N 0 0 426.501 4.615 50 0 IJAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000009664742 569557463 /nfs/dbraw/zinc/55/74/63/569557463.db2.gz YTKWHLKOLBEWOW-UHFFFAOYSA-N 0 0 438.867 4.886 50 0 IJAARN O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2o1 ZINC000009665501 569557594 /nfs/dbraw/zinc/55/75/94/569557594.db2.gz WRAKDRHNGHBDMS-UHFFFAOYSA-N 0 0 438.301 4.598 50 0 IJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Nc3ccccc3OC)c2c1C ZINC000009666068 569557612 /nfs/dbraw/zinc/55/76/12/569557612.db2.gz WYBCZMIBISJLTF-UHFFFAOYSA-N 0 0 440.569 4.915 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)n1nc(-c2cccs2)nc1NCc1ccccc1 ZINC000009667638 569557883 /nfs/dbraw/zinc/55/78/83/569557883.db2.gz IUORPSXIQLVOMA-UHFFFAOYSA-N 0 0 430.942 4.509 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1C ZINC000009669575 569558123 /nfs/dbraw/zinc/55/81/23/569558123.db2.gz OUXDCDVGEGQFMU-CQSZACIVSA-N 0 0 428.583 4.776 50 0 IJAARN CC(=O)c1cccc(OCC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000009670772 569558399 /nfs/dbraw/zinc/55/83/99/569558399.db2.gz ITDACGGPZBVHLV-UHFFFAOYSA-N 0 0 442.309 4.949 50 0 IJAARN O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccc2c(c1)OCCCO2 ZINC000009671702 569558598 /nfs/dbraw/zinc/55/85/98/569558598.db2.gz HMVJBPJVTHFTCV-UHFFFAOYSA-N 0 0 428.282 4.781 50 0 IJAARN Brc1cc2c(cc1CSc1nnc(C3CC3)n1-c1ccccc1)OCCO2 ZINC000009672704 569558855 /nfs/dbraw/zinc/55/88/55/569558855.db2.gz DMGQKJPYMUPGRE-UHFFFAOYSA-N 0 0 444.354 4.971 50 0 IJAARN Cc1c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2oc1C(=O)NC1CCCCC1 ZINC000009673152 569558874 /nfs/dbraw/zinc/55/88/74/569558874.db2.gz IRXOIIGKOYTAON-UHFFFAOYSA-N 0 0 432.586 4.757 50 0 IJAARN Cc1cccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](c4ccccc4)C(=O)N32)c1 ZINC000009674374 569559188 /nfs/dbraw/zinc/55/91/88/569559188.db2.gz BRXQFJDNQOYRNE-JOCHJYFZSA-N 0 0 440.528 4.698 50 0 IJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000009707727 569561688 /nfs/dbraw/zinc/56/16/88/569561688.db2.gz VXGYLTIQMMFDFE-UHFFFAOYSA-N 0 0 427.909 4.617 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-n1cccc1)Nc1ccc(F)cc1 ZINC000009707894 569561705 /nfs/dbraw/zinc/56/17/05/569561705.db2.gz XFZVUYJYVCDZGJ-UHFFFAOYSA-N 0 0 427.892 4.581 50 0 IJAARN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)c(C)c1 ZINC000009708729 569561940 /nfs/dbraw/zinc/56/19/40/569561940.db2.gz LJOBVPVLRRHHGR-NRFANRHFSA-N 0 0 433.577 4.532 50 0 IJAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000009711778 569562093 /nfs/dbraw/zinc/56/20/93/569562093.db2.gz IOLYFJFWDLBKCY-LLVKDONJSA-N 0 0 429.546 4.872 50 0 IJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)c(C)c1 ZINC000009712286 569562216 /nfs/dbraw/zinc/56/22/16/569562216.db2.gz RYXUYPWYODJZNP-UHFFFAOYSA-N 0 0 428.587 4.941 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000009712667 569562293 /nfs/dbraw/zinc/56/22/93/569562293.db2.gz NWUZGTUBAZXPDN-UHFFFAOYSA-N 0 0 448.327 4.880 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000009712659 569562311 /nfs/dbraw/zinc/56/23/11/569562311.db2.gz CWGFHQHKJBHOFH-UHFFFAOYSA-N 0 0 433.363 4.834 50 0 IJAARN CCOc1ccc(C(=O)NCCSc2nc(-c3ccc(F)cc3)c[nH]2)cc1OCC ZINC000009713801 569562649 /nfs/dbraw/zinc/56/26/49/569562649.db2.gz KQZPJSFFNKUPSB-UHFFFAOYSA-N 0 0 429.517 4.535 50 0 IJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000009713742 569562653 /nfs/dbraw/zinc/56/26/53/569562653.db2.gz ALRHSWKJSPVMIW-UHFFFAOYSA-N 0 0 440.478 4.823 50 0 IJAARN Cc1nc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc2s1 ZINC000009714930 569562945 /nfs/dbraw/zinc/56/29/45/569562945.db2.gz NXOCEHVGIGQYEN-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN Cc1nc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2s1 ZINC000009714920 569562956 /nfs/dbraw/zinc/56/29/56/569562956.db2.gz IQNCSXHEGVNWOS-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)NCc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000009723444 569563574 /nfs/dbraw/zinc/56/35/74/569563574.db2.gz GTOXDMGTAQOLRN-UHFFFAOYSA-N 0 0 425.916 4.617 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009730144 569564336 /nfs/dbraw/zinc/56/43/36/569564336.db2.gz QZJAIMQOKBWZOQ-UHFFFAOYSA-N 0 0 426.524 4.726 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)cc1 ZINC000009731425 569564555 /nfs/dbraw/zinc/56/45/55/569564555.db2.gz NFKDSSWMVZIHST-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCSC2CCCCC2)o1 ZINC000009731602 569564623 /nfs/dbraw/zinc/56/46/23/569564623.db2.gz CLAXPDIRVKKORY-UHFFFAOYSA-N 0 0 435.611 4.748 50 0 IJAARN CNC(=S)c1c(-c2ccc(F)cc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000009737628 569564786 /nfs/dbraw/zinc/56/47/86/569564786.db2.gz DLNUHHMRGPPSRL-UHFFFAOYSA-N 0 0 434.540 4.752 50 0 IJAARN Cc1sc2[nH]c(CSc3nnnn3C3CCCC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000009740689 569565150 /nfs/dbraw/zinc/56/51/50/569565150.db2.gz YEBASEMKKVIQJP-UHFFFAOYSA-N 0 0 438.582 4.662 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1c(-c2ccccc2)nc2sccn21 ZINC000009741070 569565218 /nfs/dbraw/zinc/56/52/18/569565218.db2.gz ZWYDWKZHTMNIOB-UHFFFAOYSA-N 0 0 428.311 4.843 50 0 IJAARN COc1ccc([C@@H](NC(=O)c2ccc(CSc3nc[nH]n3)cc2)c2ccccc2)cc1 ZINC000009741627 569565315 /nfs/dbraw/zinc/56/53/15/569565315.db2.gz ANHUOAOHLYYPPE-QFIPXVFZSA-N 0 0 430.533 4.625 50 0 IJAARN Cc1ccc2nc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)sc2c1 ZINC000009742859 569565411 /nfs/dbraw/zinc/56/54/11/569565411.db2.gz LRVVDPWCOLPTGR-UHFFFAOYSA-N 0 0 435.578 4.853 50 0 IJAARN Cc1ccc(NC(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000009746214 569565694 /nfs/dbraw/zinc/56/56/94/569565694.db2.gz OCCJWEQLWLYGNE-JOCHJYFZSA-N 0 0 443.613 4.675 50 0 IJAARN C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000009778870 569567286 /nfs/dbraw/zinc/56/72/86/569567286.db2.gz BGYWGFFCWOMQDU-KRWDZBQOSA-N 0 0 446.601 4.990 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009779895 569567466 /nfs/dbraw/zinc/56/74/66/569567466.db2.gz KWSSMAHSNHPZFD-OAHLLOKOSA-N 0 0 449.511 4.710 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009780528 569567490 /nfs/dbraw/zinc/56/74/90/569567490.db2.gz ZSVOXHGYAXKLNC-HNNXBMFYSA-N 0 0 429.549 4.831 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)cc2NC1=O ZINC000009783182 569567778 /nfs/dbraw/zinc/56/77/78/569567778.db2.gz ILRDFALZILBKPH-HNNXBMFYSA-N 0 0 442.450 4.650 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4o3)[C@H](c3ccco3)C2)cc1 ZINC000009790457 569568177 /nfs/dbraw/zinc/56/81/77/569568177.db2.gz IUKLVNNMDQMRMU-IBGZPJMESA-N 0 0 433.489 4.899 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(C)c1 ZINC000009796092 569568448 /nfs/dbraw/zinc/56/84/48/569568448.db2.gz XQAMBSBALQGYJE-UHFFFAOYSA-N 0 0 446.576 4.998 50 0 IJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1coc(-c2cccs2)n1 ZINC000009796601 569568496 /nfs/dbraw/zinc/56/84/96/569568496.db2.gz YQLKGIYGBPZYIX-UHFFFAOYSA-N 0 0 429.505 4.765 50 0 IJAARN O=C(COc1ccc2ccccc2c1Br)Nc1ccc2c(c1)OCCCO2 ZINC000009816444 569569270 /nfs/dbraw/zinc/56/92/70/569569270.db2.gz KTOZKWYSRQZLGD-UHFFFAOYSA-N 0 0 428.282 4.781 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000009823178 569569581 /nfs/dbraw/zinc/56/95/81/569569581.db2.gz PZFKBUVCFMKXLV-RTWAWAEBSA-N 0 0 435.549 4.865 50 0 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O=C(COC(=O)C1CC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000010021971 569577243 /nfs/dbraw/zinc/57/72/43/569577243.db2.gz WPTLYJBEHAVNCY-UHFFFAOYSA-N 0 0 426.925 4.950 50 0 IJAARN Cc1c(C(=O)NCc2ccco2)sc2[nH]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000010032079 569577338 /nfs/dbraw/zinc/57/73/38/569577338.db2.gz OBTDQENNKKNFCS-UHFFFAOYSA-N 0 0 439.562 4.725 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000010035216 569577385 /nfs/dbraw/zinc/57/73/85/569577385.db2.gz BKMTZQMILSMAHU-QHCPKHFHSA-N 0 0 435.549 4.622 50 0 IJAARN COc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc(OC)c1OC ZINC000010188652 569578932 /nfs/dbraw/zinc/57/89/32/569578932.db2.gz AMRFVAJVCNPQDC-UHFFFAOYSA-N 0 0 449.532 4.782 50 0 IJAARN CC(=O)Oc1ccc(-c2cccc(C(=O)OCC(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 ZINC000010213237 569579012 /nfs/dbraw/zinc/57/90/12/569579012.db2.gz FTWPKWBNDQJYJN-IBGZPJMESA-N 0 0 445.515 4.573 50 0 IJAARN O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000010233246 569579583 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Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000010509483 569582612 /nfs/dbraw/zinc/58/26/12/569582612.db2.gz OBJUIPFCMRKNTE-UHFFFAOYSA-N 0 0 443.956 4.624 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)nc1C ZINC000031817163 569584392 /nfs/dbraw/zinc/58/43/92/569584392.db2.gz KXVGNVQGTDQZOP-UHFFFAOYSA-N 0 0 434.473 4.654 50 0 IJAARN COc1ccc(CNc2cc(Nc3ccc(OC)cc3)nn2C(=O)NC2CCCCC2)cc1 ZINC000575443639 569584638 /nfs/dbraw/zinc/58/46/38/569584638.db2.gz XMGTZBITBPTUEY-UHFFFAOYSA-N 0 0 449.555 5.146 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2C)cc1 ZINC000003657632 569584717 /nfs/dbraw/zinc/58/47/17/569584717.db2.gz FEBCEFRBBZOSBA-FCHUYYIVSA-N 0 0 443.528 4.854 50 0 IJAARN Cn1cccc1CN(Cc1cccs1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000077200826 569586564 /nfs/dbraw/zinc/58/65/64/569586564.db2.gz MAIPJKYUKNRVTL-UHFFFAOYSA-N 0 0 428.501 4.638 50 0 IJAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)/C=C/c1cc(Cl)c(OC)c(OCC)c1 ZINC000078282128 569586630 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ZINC000009858810 193910049 /nfs/dbraw/zinc/91/00/49/193910049.db2.gz VNJQVRPWODXDTD-UHFFFAOYSA-N 0 0 449.507 4.605 50 0 IJAARN Cc1cc(N2CCN(C/C=C\c3ccccc3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000096803804 132225783 /nfs/dbraw/zinc/22/57/83/132225783.db2.gz ISIXAHSFLWBNMU-YVMONPNESA-N 0 0 427.527 4.679 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000623556 132227728 /nfs/dbraw/zinc/22/77/28/132227728.db2.gz KLEMPWFZNULUSH-UHFFFAOYSA-N 0 0 430.879 4.926 50 0 IJAARN O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccccc2)CC1 ZINC000009239935 132228242 /nfs/dbraw/zinc/22/82/42/132228242.db2.gz KEWPKBGLSLVXBL-UHFFFAOYSA-N 0 0 448.470 4.748 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N1CCCc2ccccc21 ZINC000009366314 132231169 /nfs/dbraw/zinc/23/11/69/132231169.db2.gz KFYKKMBZNMHDHW-UHFFFAOYSA-N 0 0 444.969 4.515 50 0 IJAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCOCC2)cc1Cl ZINC000001184923 132238856 /nfs/dbraw/zinc/23/88/56/132238856.db2.gz ARYHVCUTVSGFGG-UHFFFAOYSA-N 0 0 449.938 4.990 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000001377047 132244312 /nfs/dbraw/zinc/24/43/12/132244312.db2.gz MKMWGOMPSIOWMS-UHFFFAOYSA-N 0 0 436.556 4.549 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002223761 132249248 /nfs/dbraw/zinc/24/92/48/132249248.db2.gz FGLFQFXFBUTDOL-UHFFFAOYSA-N 0 0 449.256 4.866 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000002881188 132258051 /nfs/dbraw/zinc/25/80/51/132258051.db2.gz QIJVRYBLCJYVSR-UHFFFAOYSA-N 0 0 444.318 4.801 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000002931329 132259213 /nfs/dbraw/zinc/25/92/13/132259213.db2.gz DCWYJERNNNSJEM-UHFFFAOYSA-N 0 0 447.539 4.718 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000003236131 132262475 /nfs/dbraw/zinc/26/24/75/132262475.db2.gz YXUSLNGFPNPQGB-UHFFFAOYSA-N 0 0 445.544 4.501 50 0 IJAARN O=C(COc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003237236 132262514 /nfs/dbraw/zinc/26/25/14/132262514.db2.gz CCVVAMUXRWIUKI-UHFFFAOYSA-N 0 0 447.535 4.830 50 0 IJAARN Cc1cccc(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1C ZINC000003306698 132263582 /nfs/dbraw/zinc/26/35/82/132263582.db2.gz ARJCZBNIOAZZBK-UHFFFAOYSA-N 0 0 431.945 4.690 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1 ZINC000003400598 132265074 /nfs/dbraw/zinc/26/50/74/132265074.db2.gz NTIXWTRCHWDVJX-UHFFFAOYSA-N 0 0 425.554 4.718 50 0 IJAARN CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NC2CCCCCCC2)cc1 ZINC000003665826 132267295 /nfs/dbraw/zinc/26/72/95/132267295.db2.gz UXSCWSFSKNOXCT-RUZDIDTESA-N 0 0 437.540 4.512 50 0 IJAARN O=C(CCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 ZINC000004627510 132272632 /nfs/dbraw/zinc/27/26/32/132272632.db2.gz UPTFIIZNASIFGX-UHFFFAOYSA-N 0 0 429.845 4.678 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1C ZINC000006614598 132277980 /nfs/dbraw/zinc/27/79/80/132277980.db2.gz RYOMFGHNWATMCG-UHFFFAOYSA-N 0 0 427.548 4.827 50 0 IJAARN CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)C)cc3Cl)CC2)cc1 ZINC000008444169 132282081 /nfs/dbraw/zinc/28/20/81/132282081.db2.gz VZJVXXMHAZUCKM-UHFFFAOYSA-N 0 0 443.975 4.686 50 0 IJAARN CCCSCCCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008600060 132286136 /nfs/dbraw/zinc/28/61/36/132286136.db2.gz JWMOMQMNWLUUIE-UHFFFAOYSA-N 0 0 440.535 4.515 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCSc2ccccc21 ZINC000008745767 132292739 /nfs/dbraw/zinc/29/27/39/132292739.db2.gz FONHVRHQEQEIKA-UHFFFAOYSA-N 0 0 445.573 4.560 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N1CCCc2ccccc21 ZINC000008862525 132296574 /nfs/dbraw/zinc/29/65/74/132296574.db2.gz JKGIDJBCQKHJJE-UHFFFAOYSA-N 0 0 429.549 4.833 50 0 IJAARN COC(=O)C1=NN(c2ccccc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000008867207 132296607 /nfs/dbraw/zinc/29/66/07/132296607.db2.gz ZEPPXJVXEBXLCQ-XMMPIXPASA-N 0 0 428.517 4.781 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)cc1 ZINC000008912837 132297788 /nfs/dbraw/zinc/29/77/88/132297788.db2.gz KLIXXOAEGSACOQ-QGZVFWFLSA-N 0 0 434.540 4.825 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000008966405 132298920 /nfs/dbraw/zinc/29/89/20/132298920.db2.gz QJEIXXBZQANZRG-UHFFFAOYSA-N 0 0 433.533 4.665 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC(C(C)C)C(C)C ZINC000009250381 132310833 /nfs/dbraw/zinc/31/08/33/132310833.db2.gz ZALPLTVFGPVCFY-UHFFFAOYSA-N 0 0 428.598 4.783 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000009251375 132310905 /nfs/dbraw/zinc/31/09/05/132310905.db2.gz OKMJREGGYZGACO-UHFFFAOYSA-N 0 0 444.531 4.982 50 0 biogenic IJAARN COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000009439642 132317819 /nfs/dbraw/zinc/31/78/19/132317819.db2.gz SYSCUWDGVHGVKG-UHFFFAOYSA-N 0 0 443.547 4.527 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSCc1ccccc1C ZINC000009442886 132317896 /nfs/dbraw/zinc/31/78/96/132317896.db2.gz WMGIKOGTBISZIO-UHFFFAOYSA-N 0 0 444.597 4.501 50 0 IJAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1 ZINC000009529014 132320574 /nfs/dbraw/zinc/32/05/74/132320574.db2.gz LHKXDYKIWCLECD-UHFFFAOYSA-N 0 0 436.968 4.608 50 0 IJAARN Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)n1 ZINC000009553931 132321313 /nfs/dbraw/zinc/32/13/13/132321313.db2.gz FFZVCNDQSMDLBL-VWLOTQADSA-N 0 0 433.577 4.692 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1Cl ZINC000009569432 132321825 /nfs/dbraw/zinc/32/18/25/132321825.db2.gz LKFZKPRWHFURRD-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000009591858 132322547 /nfs/dbraw/zinc/32/25/47/132322547.db2.gz DOPKBFFGWBECHR-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN CCn1c2ccccc2c2sc(C(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)cc2c1=O ZINC000009611624 132323440 /nfs/dbraw/zinc/32/34/40/132323440.db2.gz CRSDTJRXCXZYIX-SFHVURJKSA-N 0 0 445.588 4.895 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3cc(C)ccc3oc4=O)C[C@H]2C)c1 ZINC000009611178 132323459 /nfs/dbraw/zinc/32/34/59/132323459.db2.gz ZPWYHADNMLDFLA-QGZVFWFLSA-N 0 0 432.545 4.975 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1 ZINC000009631649 132323940 /nfs/dbraw/zinc/32/39/40/132323940.db2.gz MNBNPZWKSWGSAU-LJQANCHMSA-N 0 0 433.474 4.902 50 0 IJAARN C[C@@H](C(=O)NCc1ccccc1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692872 132326137 /nfs/dbraw/zinc/32/61/37/132326137.db2.gz WWGLUWZJICCSGO-HXOBKFHXSA-N 0 0 434.536 4.786 50 0 IJAARN COc1cccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009708821 132326657 /nfs/dbraw/zinc/32/66/57/132326657.db2.gz DWCDXOMDZHBMEG-UHFFFAOYSA-N 0 0 447.326 4.511 50 0 IJAARN COc1ccccc1Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000009708823 132326699 /nfs/dbraw/zinc/32/66/99/132326699.db2.gz UFAZXAISGRRNQS-UHFFFAOYSA-N 0 0 447.326 4.511 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000009782556 132328961 /nfs/dbraw/zinc/32/89/61/132328961.db2.gz RESCSCGHRJVJNS-ZCYQVOJMSA-N 0 0 430.504 4.827 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)CCS2)N1CCN(c2ccccc2)CC1 ZINC000009962426 132332806 /nfs/dbraw/zinc/33/28/06/132332806.db2.gz XRXRNMPLQFOYGE-UHFFFAOYSA-N 0 0 429.589 4.761 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000010037422 132334146 /nfs/dbraw/zinc/33/41/46/132334146.db2.gz CDDQMWURUGBUQE-QFIPXVFZSA-N 0 0 433.577 4.718 50 0 IJAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000013069376 132343975 /nfs/dbraw/zinc/34/39/75/132343975.db2.gz ZXJILLBLYLEDEU-KRWDZBQOSA-N 0 0 444.000 4.913 50 0 IJAARN Cc1cc(C)c(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000013109483 132344601 /nfs/dbraw/zinc/34/46/01/132344601.db2.gz WMQDFWWSSZUBQY-UHFFFAOYSA-N 0 0 434.458 4.668 50 0 IJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000013117570 132345125 /nfs/dbraw/zinc/34/51/25/132345125.db2.gz FRSCPPMXWFQEHW-UHFFFAOYSA-N 0 0 446.557 4.744 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000013153741 132345998 /nfs/dbraw/zinc/34/59/98/132345998.db2.gz DDYQRCVQZBIQJJ-FGZHOGPDSA-N 0 0 443.547 4.693 50 0 IJAARN O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013369476 132346687 /nfs/dbraw/zinc/34/66/87/132346687.db2.gz UQHDNVHYUPKAPU-UHFFFAOYSA-N 0 0 430.939 4.706 50 0 IJAARN CSCC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1ccc(C(C)C)cc1 ZINC000013552674 132349686 /nfs/dbraw/zinc/34/96/86/132349686.db2.gz DUVWAKHIWBFFTL-LJQANCHMSA-N 0 0 440.569 4.688 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cccs1 ZINC000013568065 132350623 /nfs/dbraw/zinc/35/06/23/132350623.db2.gz GTPNOVUDWFGNIT-UHFFFAOYSA-N 0 0 431.517 4.709 50 0 IJAARN O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583502 132351050 /nfs/dbraw/zinc/35/10/50/132351050.db2.gz NGOKJHNTNBKHAV-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000013946278 132355529 /nfs/dbraw/zinc/35/55/29/132355529.db2.gz VVEPRWLQZNDZMJ-UHFFFAOYSA-N 0 0 441.575 4.906 50 0 IJAARN COc1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2OC)cc1 ZINC000015768074 518155405 /nfs/dbraw/zinc/15/54/05/518155405.db2.gz HPCSSDGHMBGMAB-GXCIIUSESA-N 0 0 428.488 4.670 50 0 biogenic IJAARN CC(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)CCC3CCCCC3)C2)cs1 ZINC000012453424 518262734 /nfs/dbraw/zinc/26/27/34/518262734.db2.gz BNIJOZZFNVDESI-CTNGQTDRSA-N 0 0 430.614 4.764 50 0 IJAARN CC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cs1 ZINC000012308990 518275767 /nfs/dbraw/zinc/27/57/67/518275767.db2.gz LOZNIKFNEIKWKT-UHFFFAOYSA-N 0 0 435.549 4.989 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000012593294 518402943 /nfs/dbraw/zinc/40/29/43/518402943.db2.gz HLCPQBZDHFCNLH-XMMPIXPASA-N 0 0 447.556 4.840 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1 ZINC000012414537 518431929 /nfs/dbraw/zinc/43/19/29/518431929.db2.gz AROZFHJXZNIELR-UHFFFAOYSA-N 0 0 449.869 4.697 50 0 IJAARN CC(=O)c1cccc(OCC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000012601432 518446952 /nfs/dbraw/zinc/44/69/52/518446952.db2.gz KZNJKJCEQAPBAP-UHFFFAOYSA-N 0 0 445.544 4.841 50 0 IJAARN CC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2Cl)nc1C ZINC000020607758 518497017 /nfs/dbraw/zinc/49/70/17/518497017.db2.gz CVPJFACOKSKGPV-CQSZACIVSA-N 0 0 443.352 4.552 50 0 IJAARN CC=Cc1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2coc3c2C(=O)CCC3)CC1 ZINC000014879326 518556722 /nfs/dbraw/zinc/55/67/22/518556722.db2.gz LPQKZBYFQISIPM-GORDUTHDSA-N 0 0 442.519 4.704 50 0 IJAARN CC(C)(C)P(=NC(=O)c1cc(Cl)cc(Cl)c1)(N1CCOCC1)N1CCOCC1 ZINC000012575515 518899355 /nfs/dbraw/zinc/89/93/55/518899355.db2.gz IGGLHQYHUSDYEU-UHFFFAOYSA-N 0 0 448.331 4.628 50 0 IJAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000009663813 519317368 /nfs/dbraw/zinc/31/73/68/519317368.db2.gz PKWOXMNHCXLPIM-UHFFFAOYSA-N 0 0 432.501 4.868 50 0 IJAARN CC(=O)N(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)CC(C)C ZINC000036030582 519472738 /nfs/dbraw/zinc/47/27/38/519472738.db2.gz HSPCBIKBCPXNFQ-UHFFFAOYSA-N 0 0 445.629 4.675 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1ccccc1F ZINC000012818320 519474199 /nfs/dbraw/zinc/47/41/99/519474199.db2.gz DEMYVOYLPUNDFT-ODLFYWEKSA-N 0 0 435.480 4.928 50 0 IJAARN CC(C)C(=O)NCCNc1nc(C2CCCCC2)nc2c1cnn2-c1ccccc1Cl ZINC000036000429 519501644 /nfs/dbraw/zinc/50/16/44/519501644.db2.gz PSXPGJAINYGBFD-UHFFFAOYSA-N 0 0 440.979 4.701 50 0 IJAARN CC(C)N(C(=O)[C@@H](C)Sc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)C(C)C ZINC000012858434 519570120 /nfs/dbraw/zinc/57/01/20/519570120.db2.gz MKELHYNYUIULOU-CYBMUJFWSA-N 0 0 433.574 4.917 50 0 IJAARN CC(C)CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000012867980 519644095 /nfs/dbraw/zinc/64/40/95/519644095.db2.gz LVZNFDFZAWKPME-XLIONFOSSA-N 0 0 448.608 4.686 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)s1 ZINC000033306482 519702159 /nfs/dbraw/zinc/70/21/59/519702159.db2.gz PEVRDFXLECLTPV-CSKARUKUSA-N 0 0 445.566 4.615 50 0 IJAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000033308267 519710961 /nfs/dbraw/zinc/71/09/61/519710961.db2.gz MLNLMUCWZKYVFF-UHFFFAOYSA-N 0 0 428.448 4.526 50 0 IJAARN CC(C)CNC(=O)Nc1cccc(-c2noc(Cc3ccccc3Br)n2)c1 ZINC000033257544 519738618 /nfs/dbraw/zinc/73/86/18/519738618.db2.gz RFAPBZQZSYRVGB-UHFFFAOYSA-N 0 0 429.318 4.867 50 0 IJAARN CC(C)CNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2[nH]1 ZINC000036007837 519741468 /nfs/dbraw/zinc/74/14/68/519741468.db2.gz SEKAWADJQFYGHK-UHFFFAOYSA-N 0 0 427.570 4.652 50 0 IJAARN CC(C)OC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccccc1Cl ZINC000012856465 519742680 /nfs/dbraw/zinc/74/26/80/519742680.db2.gz UNQQRZUSOGHIGC-MRXNPFEDSA-N 0 0 427.909 4.561 50 0 IJAARN CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2cc(C)nc3ccccc32)O1 ZINC000021941362 519759734 /nfs/dbraw/zinc/75/97/34/519759734.db2.gz XYSRIHCSYDOELV-AREMUKBSSA-N 0 0 439.471 4.861 50 0 IJAARN CC(C)Oc1ccc(Cn2cnc3c4cc5c(nc4sc3c2=O)CC(C)(C)OC5)cc1 ZINC000021151850 519780031 /nfs/dbraw/zinc/78/00/31/519780031.db2.gz GRJVESIJPRVMJR-UHFFFAOYSA-N 0 0 435.549 4.693 50 0 IJAARN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000017145943 519782070 /nfs/dbraw/zinc/78/20/70/519782070.db2.gz YNXHJEKYJWWPFT-STZFKDTASA-N 0 0 438.549 4.676 50 0 IJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000021784755 519782144 /nfs/dbraw/zinc/78/21/44/519782144.db2.gz CPBSOGQGZDTKPA-GOSISDBHSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1 ZINC000012600449 519818194 /nfs/dbraw/zinc/81/81/94/519818194.db2.gz NIJPNFVRPGIDEX-IBGZPJMESA-N 0 0 449.414 4.876 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012748767 519820106 /nfs/dbraw/zinc/82/01/06/519820106.db2.gz WGZTVIKAPINYNE-QHCPKHFHSA-N 0 0 435.955 4.892 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C\c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000034876759 519835667 /nfs/dbraw/zinc/83/56/67/519835667.db2.gz LTWIOJOKKOAJRT-GMGKOPGTSA-N 0 0 431.985 4.693 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 ZINC000018892805 519877286 /nfs/dbraw/zinc/87/72/86/519877286.db2.gz AABSTEVNEGCLOR-UHFFFAOYSA-N 0 0 445.342 4.959 50 0 IJAARN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000021790285 519878787 /nfs/dbraw/zinc/87/87/87/519878787.db2.gz HEHOAKALUBXIGO-UHFFFAOYSA-N 0 0 443.594 4.603 50 0 IJAARN CCCNC(=O)Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000034679668 519881973 /nfs/dbraw/zinc/88/19/73/519881973.db2.gz FCNYAGDSOYOYMC-UHFFFAOYSA-N 0 0 434.511 4.750 50 0 IJAARN CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000021243534 519889105 /nfs/dbraw/zinc/88/91/05/519889105.db2.gz LNQBPAZLAUYVRB-GFCCVEGCSA-N 0 0 436.368 4.643 50 0 IJAARN CCCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(OC)cc2)cc1 ZINC000032953533 519898355 /nfs/dbraw/zinc/89/83/55/519898355.db2.gz IWIAXDBNWRNUPH-UHFFFAOYSA-N 0 0 446.576 4.920 50 0 IJAARN CCCCCC(=O)NCCNC(=O)c1csc(COc2cc(C)ccc2C(C)C)n1 ZINC000034905997 519930028 /nfs/dbraw/zinc/93/00/28/519930028.db2.gz IZONGBSIUSSXCN-UHFFFAOYSA-N 0 0 431.602 4.580 50 0 IJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000035490992 520045224 /nfs/dbraw/zinc/04/52/24/520045224.db2.gz GPZFTFZELCMLIC-UHFFFAOYSA-N 0 0 448.548 4.972 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000012775949 520123518 /nfs/dbraw/zinc/12/35/18/520123518.db2.gz MFZMGZQTEFVRLW-CYBMUJFWSA-N 0 0 433.965 4.528 50 0 IJAARN CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCc1ccc(F)cc1 ZINC000016752182 520242786 /nfs/dbraw/zinc/24/27/86/520242786.db2.gz BIINHZFPOJVZPU-UHFFFAOYSA-N 0 0 448.431 4.917 50 0 IJAARN CC1(C)CC(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000012506189 520252459 /nfs/dbraw/zinc/25/24/59/520252459.db2.gz MYRCCLFQTRHMDE-UHFFFAOYSA-N 0 0 436.470 4.938 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2cc(C)cc(C)c2)cc1OCCC ZINC000011916600 520319307 /nfs/dbraw/zinc/31/93/07/520319307.db2.gz VWMGMHUMXWLOKT-UHFFFAOYSA-N 0 0 439.512 4.949 50 0 IJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 ZINC000002985070 520335795 /nfs/dbraw/zinc/33/57/95/520335795.db2.gz SGMLADDQWGIQLR-UHFFFAOYSA-N 0 0 445.548 4.645 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000012525365 520352980 /nfs/dbraw/zinc/35/29/80/520352980.db2.gz PYFAKRFVKYEONN-UHFFFAOYSA-N 0 0 431.323 4.793 50 0 IJAARN CCNc1nc(C(N)=O)c(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)s1 ZINC000021943433 520354189 /nfs/dbraw/zinc/35/41/89/520354189.db2.gz XYTHXUSOGRYVRP-UHFFFAOYSA-N 0 0 445.548 4.758 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398532 520355805 /nfs/dbraw/zinc/35/58/05/520355805.db2.gz GHKLROLJUMOGOK-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN CCN(CC)C(=O)c1cc2c(n(-c3ccc(Cl)c(Cl)c3)c1=O)CC(C)(C)CC2=O ZINC000000809754 520545569 /nfs/dbraw/zinc/54/55/69/520545569.db2.gz NZCHZJLUIVUBCQ-UHFFFAOYSA-N 0 0 435.351 4.781 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2nc3c(s2)CCCC3)[C@H]1c1ccc(OC)cc1 ZINC000012691046 520559914 /nfs/dbraw/zinc/55/99/14/520559914.db2.gz JYPQBPJZLVTEED-PGRDOPGGSA-N 0 0 441.597 4.749 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 ZINC000012601435 520562526 /nfs/dbraw/zinc/56/25/26/520562526.db2.gz VHMTZCFUKHNVER-UHFFFAOYSA-N 0 0 442.519 4.648 50 0 IJAARN CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000015671833 520565592 /nfs/dbraw/zinc/56/55/92/520565592.db2.gz YZWZYRUHLQEZOL-UHFFFAOYSA-N 0 0 433.464 4.831 50 0 IJAARN CCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903502 520566058 /nfs/dbraw/zinc/56/60/58/520566058.db2.gz HTNAMRFLHSJJCG-SANMLTNESA-N 0 0 439.600 4.894 50 0 IJAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000012613016 520574009 /nfs/dbraw/zinc/57/40/09/520574009.db2.gz MJXOOOORYMYCEZ-HSZRJFAPSA-N 0 0 443.526 4.700 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000021705588 520615344 /nfs/dbraw/zinc/61/53/44/520615344.db2.gz DVUKQWFREQQGRX-WGLAMXGCSA-N 0 0 445.462 4.835 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCc1cccs1 ZINC000022274307 520632159 /nfs/dbraw/zinc/63/21/59/520632159.db2.gz YKZUWDFQTNURAQ-ZDLGFXPLSA-N 0 0 449.484 4.799 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccccc2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716527 520634175 /nfs/dbraw/zinc/63/41/75/520634175.db2.gz BJGIRDOYKDYFEI-FYYLOGMGSA-N 0 0 425.548 4.713 50 0 IJAARN CCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccc(OCC)c(OC)c1)S2 ZINC000020736089 520684582 /nfs/dbraw/zinc/68/45/82/520684582.db2.gz SEZPACRJLOFTOI-HYARGMPZSA-N 0 0 440.565 4.733 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000020608282 520781484 /nfs/dbraw/zinc/78/14/84/520781484.db2.gz BPFVWYVVMSBMIW-IIYDPXPESA-N 0 0 435.417 4.578 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(SCc2csc(-c3ccsc3)n2)nc1 ZINC000012511703 520807225 /nfs/dbraw/zinc/80/72/25/520807225.db2.gz MNPGLASDWWOXPU-UHFFFAOYSA-N 0 0 425.626 4.589 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000012619793 520808191 /nfs/dbraw/zinc/80/81/91/520808191.db2.gz SAZBDSKGAADOLE-INIZCTEOSA-N 0 0 443.347 4.991 50 0 IJAARN CCOc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccccc32)cc1 ZINC000021541080 520823970 /nfs/dbraw/zinc/82/39/70/520823970.db2.gz AIVVIZIUTDVOBM-UHFFFAOYSA-N 0 0 436.515 4.967 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1OCC ZINC000016753897 520829026 /nfs/dbraw/zinc/82/90/26/520829026.db2.gz FKRSTWOXOJLQSZ-MRXNPFEDSA-N 0 0 425.485 4.557 50 0 IJAARN CCOc1ccc(/C=C/C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000032931131 520848155 /nfs/dbraw/zinc/84/81/55/520848155.db2.gz BNMYJCPHBZASBJ-BGVYSJOJSA-N 0 0 446.469 4.597 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCc3nc(-c4ccccc4OC)no3)o2)cc1 ZINC000022025479 520877517 /nfs/dbraw/zinc/87/75/17/520877517.db2.gz BFNRASKRFKYGOK-UHFFFAOYSA-N 0 0 437.525 4.934 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)cc1 ZINC000021343566 520889054 /nfs/dbraw/zinc/88/90/54/520889054.db2.gz DTADATKGBPMRGZ-HHHXNRCGSA-N 0 0 429.516 4.710 50 0 IJAARN CCN(CC)c1ccc(C(=O)OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000021173915 520889526 /nfs/dbraw/zinc/88/95/26/520889526.db2.gz CFYPOWZCNSVISL-UHFFFAOYSA-N 0 0 437.565 4.836 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936228 520893538 /nfs/dbraw/zinc/89/35/38/520893538.db2.gz YWERSVVMNOFWCJ-VQTJNVASSA-N 0 0 434.565 4.904 50 0 IJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000020903084 520966589 /nfs/dbraw/zinc/96/65/89/520966589.db2.gz YNYLEIVUPCNYRO-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2C[C@H]2CCCO2)CC1 ZINC000012613924 521024684 /nfs/dbraw/zinc/02/46/84/521024684.db2.gz SNLPRCLBPOESDF-MRXNPFEDSA-N 0 0 429.611 4.597 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 ZINC000012140056 521029397 /nfs/dbraw/zinc/02/93/97/521029397.db2.gz BKDXKSCRKFTMDW-UHFFFAOYSA-N 0 0 427.353 4.666 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858487 521041907 /nfs/dbraw/zinc/04/19/07/521041907.db2.gz KEZMTMQHEWVCMC-SANMLTNESA-N 0 0 433.552 4.621 50 0 IJAARN CC1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2)CC1 ZINC000012586948 521044098 /nfs/dbraw/zinc/04/40/98/521044098.db2.gz IAGJJAUJCWKUHG-AREMUKBSSA-N 0 0 441.575 4.903 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2sccc2-c2ccccc2)cc1OCC ZINC000023532666 521058122 /nfs/dbraw/zinc/05/81/22/521058122.db2.gz WLWQVJWOVFMFGM-UHFFFAOYSA-N 0 0 438.549 4.923 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560634 521071575 /nfs/dbraw/zinc/07/15/75/521071575.db2.gz JSSAXEJSQWXQTK-XMMPIXPASA-N 0 0 430.504 4.820 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)cnc3ccc(C)cc32)C1 ZINC000021158437 521121564 /nfs/dbraw/zinc/12/15/64/521121564.db2.gz ZKXMYMLHTAFDLN-HXUWFJFHSA-N 0 0 446.547 4.952 50 0 IJAARN CCOC(=O)[C@@H]1C[C@@]2(CC[C@@H]3[C@@H]4CC=C5C=C(OC)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000253499505 521143809 /nfs/dbraw/zinc/14/38/09/521143809.db2.gz ISJDXRXJTVVHGY-WVPNVVJHSA-N 0 0 428.569 4.954 50 0 biogenic IJAARN CCC[C@H](Sc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1)C(=O)OCC ZINC000035924534 521196031 /nfs/dbraw/zinc/19/60/31/521196031.db2.gz YHHIAPPRGGARSW-LBPRGKRZSA-N 0 0 433.477 4.633 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(C)cc4)ccc3[nH]2)cc1 ZINC000033264747 521203415 /nfs/dbraw/zinc/20/34/15/521203415.db2.gz CCOUISXDUDGQPZ-UHFFFAOYSA-N 0 0 440.547 4.935 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)c(F)c4)C3)n2)c1 ZINC000035527735 521220908 /nfs/dbraw/zinc/22/09/08/521220908.db2.gz SHEJAFGSDQUWGV-SFHVURJKSA-N 0 0 436.487 4.552 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)c1 ZINC000035527729 521221931 /nfs/dbraw/zinc/22/19/31/521221931.db2.gz UUPJFGJXHABCRL-KRWDZBQOSA-N 0 0 438.915 4.758 50 0 IJAARN CCOc1ccc([C@@H]2Oc3nc(SCC)nnc3-c3cc(C)ccc3N2C(C)=O)cc1 ZINC000032997509 521248350 /nfs/dbraw/zinc/24/83/50/521248350.db2.gz UMMIRQGJGHFVRD-QFIPXVFZSA-N 0 0 436.537 4.802 50 0 IJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891152 521249007 /nfs/dbraw/zinc/24/90/07/521249007.db2.gz KOBSJTFVFMFKAX-FQEVSTJZSA-N 0 0 436.562 4.964 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)N3CCc4ccccc43)N2C1=O ZINC000021936278 521253427 /nfs/dbraw/zinc/25/34/27/521253427.db2.gz SCWUQOBLBUPZHK-TZIWHRDSSA-N 0 0 446.576 4.546 50 0 IJAARN CCOc1ccc([C@H]2CCCN2C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000012792473 521271982 /nfs/dbraw/zinc/27/19/82/521271982.db2.gz WHVJODQXGFDTKV-LJQANCHMSA-N 0 0 442.972 4.650 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035866335 521314413 /nfs/dbraw/zinc/31/44/13/521314413.db2.gz PONLKFUHAUKZSJ-MRXNPFEDSA-N 0 0 428.646 4.853 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000015065298 521355108 /nfs/dbraw/zinc/35/51/08/521355108.db2.gz BSISNTZOBHDJRN-VWLOTQADSA-N 0 0 438.474 4.541 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2cccs2)c1C ZINC000036000970 521360616 /nfs/dbraw/zinc/36/06/16/521360616.db2.gz XAPLZFBZOXSLPS-UHFFFAOYSA-N 0 0 430.570 4.775 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000022905623 521373489 /nfs/dbraw/zinc/37/34/89/521373489.db2.gz OKSSRUCQCQFAIH-UHFFFAOYSA-N 0 0 443.594 4.730 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)c(C)n1CC ZINC000036004931 521387217 /nfs/dbraw/zinc/38/72/17/521387217.db2.gz KJZRRNMLIISDAS-SFHVURJKSA-N 0 0 444.547 4.697 50 0 IJAARN CCOc1cccc2sc(N(CCn3nc(C)cc3C)C(=O)c3cccs3)nc21 ZINC000035597622 521438195 /nfs/dbraw/zinc/43/81/95/521438195.db2.gz ZPOOVKGGKIZVQZ-UHFFFAOYSA-N 0 0 426.567 4.917 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560794 521498514 /nfs/dbraw/zinc/49/85/14/521498514.db2.gz XRBHRYASUCYIJC-QHCPKHFHSA-N 0 0 446.478 4.728 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000017143526 521534741 /nfs/dbraw/zinc/53/47/41/521534741.db2.gz JQNILVBIZXLKQX-GYTQXQFFSA-N 0 0 440.499 4.829 50 0 IJAARN CCOc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000035511928 521542469 /nfs/dbraw/zinc/54/24/69/521542469.db2.gz QCWMYRDLVHPMAN-UHFFFAOYSA-N 0 0 429.520 4.918 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1 ZINC000033313130 521543333 /nfs/dbraw/zinc/54/33/33/521543333.db2.gz NZIAULFEQNCDEL-UHFFFAOYSA-N 0 0 430.508 4.563 50 0 IJAARN CCCN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1nnc(-c2cccs2)o1 ZINC000021472593 521551687 /nfs/dbraw/zinc/55/16/87/521551687.db2.gz MVZHJHWRGTXXJO-UHFFFAOYSA-N 0 0 425.341 4.956 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC000032960948 521555424 /nfs/dbraw/zinc/55/54/24/521555424.db2.gz XWASFGNBWZOBTF-PZJWPPBQSA-N 0 0 449.595 4.739 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000023483413 521562923 /nfs/dbraw/zinc/56/29/23/521562923.db2.gz BKMQALFEQXZTLJ-CYBMUJFWSA-N 0 0 434.949 4.605 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445885 521573859 /nfs/dbraw/zinc/57/38/59/521573859.db2.gz VNYVDCVYVAETGH-VQTJNVASSA-N 0 0 441.988 4.844 50 0 IJAARN CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)n1 ZINC000001415683 521587911 /nfs/dbraw/zinc/58/79/11/521587911.db2.gz DMWHNFIULXJSOA-UHFFFAOYSA-N 0 0 446.248 4.954 50 0 IJAARN CCOC(=O)c1sc(/[S@](C)=N/S(=O)(=O)c2cccc(Cl)c2)c2c1CCC=C2 ZINC000012367205 521609271 /nfs/dbraw/zinc/60/92/71/521609271.db2.gz UGBROXCTWIPBHZ-AREMUKBSSA-N 0 0 443.999 4.717 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccccc1 ZINC000012390961 521620362 /nfs/dbraw/zinc/62/03/62/521620362.db2.gz QMLFWQWQAVFGLK-UHFFFAOYSA-N 0 0 426.538 4.609 50 0 IJAARN CCOC(CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2)OCC ZINC000020735073 521632204 /nfs/dbraw/zinc/63/22/04/521632204.db2.gz HDYHQYGLYFXQCX-XDHOZWIPSA-N 0 0 446.956 4.554 50 0 IJAARN CCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903468 521703140 /nfs/dbraw/zinc/70/31/40/521703140.db2.gz GWWJIHMCVZKMDF-RUZDIDTESA-N 0 0 425.573 4.504 50 0 IJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000035978591 521739478 /nfs/dbraw/zinc/73/94/78/521739478.db2.gz OSWBRARZJUCRJI-QHCPKHFHSA-N 0 0 448.567 4.992 50 0 IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC1CC1 ZINC000035980853 521739546 /nfs/dbraw/zinc/73/95/46/521739546.db2.gz ORYPTMFNIFVVCG-UHFFFAOYSA-N 0 0 434.540 4.830 50 0 IJAARN CC[C@@H](C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1)c1ccccc1 ZINC000033272889 521815109 /nfs/dbraw/zinc/81/51/09/521815109.db2.gz YVLZLIIYIDVPHE-HXUWFJFHSA-N 0 0 434.565 4.690 50 0 IJAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563745 521863014 /nfs/dbraw/zinc/86/30/14/521863014.db2.gz XONFMJRWFFOCJY-NRFANRHFSA-N 0 0 443.551 4.714 50 0 IJAARN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nc(-c2ccccc2)c[nH]1 ZINC000012823496 521867424 /nfs/dbraw/zinc/86/74/24/521867424.db2.gz MSWOBSFMPLVCTO-UHFFFAOYSA-N 0 0 436.320 4.901 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2cc(OC)ccc2cc(CNc2ccccc2)c1=O ZINC000020940234 521882341 /nfs/dbraw/zinc/88/23/41/521882341.db2.gz UOQKKLOACPYCSB-UHFFFAOYSA-N 0 0 441.531 4.823 50 0 IJAARN COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000012590989 521936107 /nfs/dbraw/zinc/93/61/07/521936107.db2.gz NFHBXSDMIQCINC-SOZJPDODSA-N 0 0 443.805 4.657 50 0 IJAARN COC(=O)c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000020744727 522104937 /nfs/dbraw/zinc/10/49/37/522104937.db2.gz QPMQTWJIWDMWSN-IBGZPJMESA-N 0 0 445.306 4.683 50 0 IJAARN CCc1nc(-c2ccc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)no1 ZINC000032996327 522146847 /nfs/dbraw/zinc/14/68/47/522146847.db2.gz PUCFQWKBBUJDNN-UHFFFAOYSA-N 0 0 445.445 4.672 50 0 IJAARN COc1cc(C(=O)Nc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc(OC)c1OC ZINC000012407731 522152738 /nfs/dbraw/zinc/15/27/38/522152738.db2.gz OQOUHSVGOZYETB-UHFFFAOYSA-N 0 0 431.444 4.942 50 0 IJAARN COC(=O)c1ccoc1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000023355191 522303194 /nfs/dbraw/zinc/30/31/94/522303194.db2.gz SOXQRPWOKXOFEY-UHFFFAOYSA-N 0 0 439.468 4.657 50 0 IJAARN CCc1nc(NC(=O)c2sc(COc3ccc(CC)cc3)nc2C)sc1C(=O)OC ZINC000021150006 522407979 /nfs/dbraw/zinc/40/79/79/522407979.db2.gz MYFZYBYQHHFWFB-UHFFFAOYSA-N 0 0 445.566 4.651 50 0 IJAARN CC[C@H](NC(=O)N1c2cc(C)c(C)cc2C(C)=CC1(C)C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018181242 522434506 /nfs/dbraw/zinc/43/45/06/522434506.db2.gz DMFZBFSDPYBGJX-XQBPLPMBSA-N 0 0 437.584 4.926 50 0 IJAARN COc1cc(CNC(=O)c2ccccc2OCc2ccccc2Cl)cc(OC)c1OC ZINC000009887854 522437948 /nfs/dbraw/zinc/43/79/48/522437948.db2.gz OMIBIRPEXMCUCR-UHFFFAOYSA-N 0 0 441.911 4.875 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc(Cl)cc2c1OCOC2 ZINC000012923964 522502078 /nfs/dbraw/zinc/50/20/78/522502078.db2.gz GOYSRBYQJWROER-UHFFFAOYSA-N 0 0 449.256 4.949 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012797812 522508966 /nfs/dbraw/zinc/50/89/66/522508966.db2.gz DGFINYODXCLKNS-UNOMPAQXSA-N 0 0 435.871 4.540 50 0 IJAARN COc1cc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc(OC)c1OC ZINC000024759385 522646563 /nfs/dbraw/zinc/64/65/63/522646563.db2.gz WZKTYYKENPMGMC-UHFFFAOYSA-N 0 0 434.330 4.925 50 0 IJAARN CC[C@@H](NC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)c1ccncc1 ZINC000011937050 522680946 /nfs/dbraw/zinc/68/09/46/522680946.db2.gz MOJWJAYXZPUOCK-HSZRJFAPSA-N 0 0 426.520 4.923 50 0 IJAARN COc1cc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012344053 522687803 /nfs/dbraw/zinc/68/78/03/522687803.db2.gz ZOLPZIAQZNXQLX-NRFANRHFSA-N 0 0 441.915 4.804 50 0 IJAARN COc1cc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc(OC)c1OC ZINC000032951377 522694062 /nfs/dbraw/zinc/69/40/62/522694062.db2.gz SOKRRGDMTOZMIX-UHFFFAOYSA-N 0 0 446.507 4.551 50 0 IJAARN CC[C@H](Sc1nc2ccccc2o1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000012859029 522924059 /nfs/dbraw/zinc/92/40/59/522924059.db2.gz ABSHIXNZYLPRDA-KRWDZBQOSA-N 0 0 434.311 4.887 50 0 IJAARN COCc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000021959673 522950954 /nfs/dbraw/zinc/95/09/54/522950954.db2.gz LDNLGQREXDVGTE-UHFFFAOYSA-N 0 0 436.502 4.659 50 0 IJAARN COC(=O)CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1c(F)cccc1Cl ZINC000012704790 522957436 /nfs/dbraw/zinc/95/74/36/522957436.db2.gz SPCVRVACWUUKAJ-HSZRJFAPSA-N 0 0 428.891 4.778 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OC(C)C ZINC000021725688 522960661 /nfs/dbraw/zinc/96/06/61/522960661.db2.gz XCYRNGVUMXYGDB-OAHLLOKOSA-N 0 0 434.521 4.752 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](C)c4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000012900274 522992274 /nfs/dbraw/zinc/99/22/74/522992274.db2.gz KVBYWCFONLWKIF-INIZCTEOSA-N 0 0 435.520 4.634 50 0 biogenic IJAARN COc1cc2c(cc1OC)[C@@]1(C)N(CC2)C(C(=O)c2cccs2)=NN1c1ccccc1 ZINC000012340752 523043713 /nfs/dbraw/zinc/04/37/13/523043713.db2.gz GKSHNUKBCCZXHO-DEOSSOPVSA-N 0 0 433.533 4.513 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000036043123 523048814 /nfs/dbraw/zinc/04/88/14/523048814.db2.gz PJSVLVUCKIHMGS-BCHFMIIMSA-N 0 0 430.548 4.622 50 0 IJAARN COc1ccc(-c2c(NC(=O)c3cccc(C)c3)n(C)c3ccccc3c2=O)cc1OC ZINC000009580646 523078201 /nfs/dbraw/zinc/07/82/01/523078201.db2.gz OCSWASYZKTXSKY-UHFFFAOYSA-N 0 0 428.488 4.783 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3c2=O)cc1 ZINC000011865095 523078489 /nfs/dbraw/zinc/07/84/89/523078489.db2.gz PVXMQFZGWPWLNP-UHFFFAOYSA-N 0 0 436.485 4.853 50 0 IJAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 ZINC000012296412 523089423 /nfs/dbraw/zinc/08/94/23/523089423.db2.gz WIKYTCNYUKEIKX-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN CCn1c(C)c(C(=O)CN(C(=O)c2ccccc2Cl)C(C)(C)C)c(C)c1C(=O)OC ZINC000036018700 523122375 /nfs/dbraw/zinc/12/23/75/523122375.db2.gz JTSHJMZBIDWLCH-UHFFFAOYSA-N 0 0 432.948 4.688 50 0 IJAARN COc1ccc(-c2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)c(OC)n2)cc1 ZINC000013361860 523126896 /nfs/dbraw/zinc/12/68/96/523126896.db2.gz GKYGHMIMFXVSSP-UHFFFAOYSA-N 0 0 449.463 4.509 50 0 IJAARN CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000012572481 523152527 /nfs/dbraw/zinc/15/25/27/523152527.db2.gz QJUJSRUUZCQPAL-DEOSSOPVSA-N 0 0 426.463 4.972 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000035684731 523152810 /nfs/dbraw/zinc/15/28/10/523152810.db2.gz MLMPAKUCJOCZMN-QGZVFWFLSA-N 0 0 446.385 4.629 50 0 IJAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3ccc(F)cc3)CO4)c2=O)cc1OC ZINC000020650502 523156846 /nfs/dbraw/zinc/15/68/46/523156846.db2.gz JXHABZGJSBYRER-UHFFFAOYSA-N 0 0 447.462 4.968 50 0 IJAARN COc1ccc(-c2csc(CN3CCN(C(=O)c4cc5ccccc5o4)CC3)n2)cc1 ZINC000021687818 523164588 /nfs/dbraw/zinc/16/45/88/523164588.db2.gz BPZFXGKSVNTUDX-UHFFFAOYSA-N 0 0 433.533 4.523 50 0 IJAARN COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(OC)c5)CC4)c23)cc1 ZINC000012526922 523173013 /nfs/dbraw/zinc/17/30/13/523173013.db2.gz QIMZWDUNMLGHTB-UHFFFAOYSA-N 0 0 432.549 4.702 50 0 IJAARN CCn1c(CCc2ccc(NC(=O)CCC(=O)N3CCCCCC3)cc2)nc2ccccc21 ZINC000032960777 523182842 /nfs/dbraw/zinc/18/28/42/523182842.db2.gz STCHGVUMIGNBOS-UHFFFAOYSA-N 0 0 446.595 4.963 50 0 IJAARN CCn1c(COc2c(C)cccc2C)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000035655206 523196550 /nfs/dbraw/zinc/19/65/50/523196550.db2.gz URQWDJKTEBMXPT-INIZCTEOSA-N 0 0 435.553 4.584 50 0 IJAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c2C(=O)OC)C1 ZINC000033392067 523207545 /nfs/dbraw/zinc/20/75/45/523207545.db2.gz NROFGXZMPOHVAU-MSKHEQNASA-N 0 0 429.538 4.719 50 0 IJAARN COc1ccc(-c2nc(CSc3nnnn3-c3ccc(C)c(C)c3)cs2)cc1OC ZINC000021574041 523214635 /nfs/dbraw/zinc/21/46/35/523214635.db2.gz XDLLLNLNTUXZTI-UHFFFAOYSA-N 0 0 439.566 4.712 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H]2c2nonc2C)c(F)c1 ZINC000020543131 523244343 /nfs/dbraw/zinc/24/43/43/523244343.db2.gz VOVPUARMLPJVNM-QFIPXVFZSA-N 0 0 433.487 4.716 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2cccc(OC)c2)cc1 ZINC000012876927 523246308 /nfs/dbraw/zinc/24/63/08/523246308.db2.gz NTISFSJJAHFLOP-UHFFFAOYSA-N 0 0 427.504 4.546 50 0 IJAARN COc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccc(OC)c4)n3)o2)cc1 ZINC000035560739 523253299 /nfs/dbraw/zinc/25/32/99/523253299.db2.gz KWUKSKRNMKSPCM-UHFFFAOYSA-N 0 0 439.475 4.976 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)CC(=O)Nc3cccc(F)c3)ccc21 ZINC000012521785 523276975 /nfs/dbraw/zinc/27/69/75/523276975.db2.gz AQEYAWRGHVZYLN-QGZVFWFLSA-N 0 0 446.526 4.851 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)CC(=O)Nc3cccc(F)c3)ccc21 ZINC000012521786 523278331 /nfs/dbraw/zinc/27/83/31/523278331.db2.gz AQEYAWRGHVZYLN-KRWDZBQOSA-N 0 0 446.526 4.851 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3Br)n2)cc1 ZINC000035319233 523300472 /nfs/dbraw/zinc/30/04/72/523300472.db2.gz LZQWXQSOSQDECT-KRWDZBQOSA-N 0 0 443.301 4.877 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2cccc(Br)c2)cc1 ZINC000020892875 523346118 /nfs/dbraw/zinc/34/61/18/523346118.db2.gz WUGKUJFLVKGAFK-LJQANCHMSA-N 0 0 444.354 4.727 50 0 IJAARN COc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000020610086 523350437 /nfs/dbraw/zinc/35/04/37/523350437.db2.gz QXSRFCUTZMVZPJ-UHFFFAOYSA-N 0 0 430.508 4.878 50 0 IJAARN COc1ccc(Br)cc1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000001511256 523489088 /nfs/dbraw/zinc/48/90/88/523489088.db2.gz GLGQBAKNTYOKGE-ZROIWOOFSA-N 0 0 437.087 4.565 50 0 IJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000020928747 523563304 /nfs/dbraw/zinc/56/33/04/523563304.db2.gz LBZOSFOVDZWYLE-UHFFFAOYSA-N 0 0 439.471 4.521 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000012476951 523568297 /nfs/dbraw/zinc/56/82/97/523568297.db2.gz FSNOUOOMXQSXDC-UHFFFAOYSA-N 0 0 445.548 4.537 50 0 IJAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000035946550 523599666 /nfs/dbraw/zinc/59/96/66/523599666.db2.gz WVLVLIODLOOHEB-JOCHJYFZSA-N 0 0 447.560 4.515 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccccc2F)C[C@@H]2CC(c3ccccc3OC)=NO2)cc1 ZINC000035835418 523616519 /nfs/dbraw/zinc/61/65/19/523616519.db2.gz WRLKIWRZTKTARE-NRFANRHFSA-N 0 0 448.494 4.679 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)c2ccccc12 ZINC000012800982 523632614 /nfs/dbraw/zinc/63/26/14/523632614.db2.gz WFGKAIZWJPSOMF-PKOBYXMFSA-N 0 0 434.511 4.717 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1OC ZINC000012807429 523666344 /nfs/dbraw/zinc/66/63/44/523666344.db2.gz JKYDPBMNNCREIY-QHCPKHFHSA-N 0 0 439.533 4.570 50 0 IJAARN CCn1ncc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000020603868 523689683 /nfs/dbraw/zinc/68/96/83/523689683.db2.gz VAALDMKZIPOKML-UHFFFAOYSA-N 0 0 439.625 4.844 50 0 IJAARN CCc1c(C)sc2nc(SCc3nnc(C)o3)n(-c3cc(C)ccc3C)c(=O)c12 ZINC000012780158 523721173 /nfs/dbraw/zinc/72/11/73/523721173.db2.gz UJJHFVGDWMLFFL-UHFFFAOYSA-N 0 0 426.567 4.919 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)CN(Cc2ccc(Cl)cc2)C(=O)CO3)cc1 ZINC000035886152 523752720 /nfs/dbraw/zinc/75/27/20/523752720.db2.gz KUEPKJGHSRFSKJ-UHFFFAOYSA-N 0 0 436.895 4.522 50 0 IJAARN CC[C@H](C(=O)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C1CC1)c1ccccc1 ZINC000035945321 523755486 /nfs/dbraw/zinc/75/54/86/523755486.db2.gz LKOBEVQKRXKZRZ-QHCPKHFHSA-N 0 0 436.600 4.967 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(OC)cc3)c2)cc1 ZINC000035912298 523756636 /nfs/dbraw/zinc/75/66/36/523756636.db2.gz LRBCFZBURXGKSU-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN CC[C@H](C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)cs2)CC1)c1ccccc1 ZINC000021688052 523762555 /nfs/dbraw/zinc/76/25/55/523762555.db2.gz XASSPPXMSROFEZ-QFIPXVFZSA-N 0 0 435.593 4.657 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1OC ZINC000009659199 523763193 /nfs/dbraw/zinc/76/31/93/523763193.db2.gz FHKJFBYYELJORY-UHFFFAOYSA-N 0 0 439.537 4.519 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(NC(=O)C(C)(C)C)cc4)cs3)ccc21 ZINC000012764635 523763331 /nfs/dbraw/zinc/76/33/31/523763331.db2.gz CYYUJEQOKMRUQM-UHFFFAOYSA-N 0 0 448.552 4.812 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3cccc(Cl)c3C)nc2N)c(OC)c1OC ZINC000032948017 523781784 /nfs/dbraw/zinc/78/17/84/523781784.db2.gz MJCOFVOJAVTFBM-UHFFFAOYSA-N 0 0 433.917 4.688 50 0 IJAARN COc1ccc(C(F)(F)F)cc1NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000012441151 523795948 /nfs/dbraw/zinc/79/59/48/523795948.db2.gz PEJJXIZDMMBRMD-UHFFFAOYSA-N 0 0 445.441 4.665 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)N1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000021778311 523802315 /nfs/dbraw/zinc/80/23/15/523802315.db2.gz WJCRVUOKGBZTIK-OAQYLSRUSA-N 0 0 431.923 4.941 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464951 523802647 /nfs/dbraw/zinc/80/26/47/523802647.db2.gz OYCHYNNKGYJLMX-QGZVFWFLSA-N 0 0 428.414 4.566 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(Cl)c2)C12CCCCC2 ZINC000020737564 523810825 /nfs/dbraw/zinc/81/08/25/523810825.db2.gz SEGPKXIZWUQBQH-OAQYLSRUSA-N 0 0 426.944 4.867 50 0 IJAARN CCc1cc(Sc2ccccc2NC(=O)c2c(F)cccc2F)n2nc(C)nc2n1 ZINC000033257104 523842707 /nfs/dbraw/zinc/84/27/07/523842707.db2.gz VQBBMVGYWVZVIZ-UHFFFAOYSA-N 0 0 425.464 4.677 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000020617118 523876299 /nfs/dbraw/zinc/87/62/99/523876299.db2.gz FWBXMBZLUSCHJX-GNVQSUKOSA-N 0 0 449.457 4.954 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2Sc2ccccc2C1=O ZINC000021355344 523888701 /nfs/dbraw/zinc/88/87/01/523888701.db2.gz YWNIYTOLHHBIJH-UHFFFAOYSA-N 0 0 448.544 4.634 50 0 IJAARN CN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)[C@H]1CCCc2ccccc21 ZINC000014949140 523936694 /nfs/dbraw/zinc/93/66/94/523936694.db2.gz XNQWAVPHJBSMKU-VWLOTQADSA-N 0 0 432.564 4.616 50 0 IJAARN CCc1ccc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020561093 523975306 /nfs/dbraw/zinc/97/53/06/523975306.db2.gz VJEBFEVZYPBSFU-HSZRJFAPSA-N 0 0 444.531 4.992 50 0 IJAARN CCc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1 ZINC000015774501 523980676 /nfs/dbraw/zinc/98/06/76/523980676.db2.gz UORKBVATCGVFAK-UHFFFAOYSA-N 0 0 434.540 4.571 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000021943564 523986799 /nfs/dbraw/zinc/98/67/99/523986799.db2.gz PBGAZSCFEVYOFW-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000021100177 523986922 /nfs/dbraw/zinc/98/69/22/523986922.db2.gz KDZMFACYYRDPSR-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN COc1ccc(CN(C(=O)c2cc3nc(C)cc(C)n3n2)C2CCCC2)cc1OC(C)C ZINC000011882497 523991126 /nfs/dbraw/zinc/99/11/26/523991126.db2.gz WOJMQZNPORCBOM-UHFFFAOYSA-N 0 0 436.556 4.727 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(Cc4ccc(C)cc4)o3)cc2)cc1 ZINC000021705412 524016229 /nfs/dbraw/zinc/01/62/29/524016229.db2.gz QCERRNLTYLLBMW-UHFFFAOYSA-N 0 0 433.533 4.999 50 0 IJAARN CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523315 524019295 /nfs/dbraw/zinc/01/92/95/524019295.db2.gz VGCLYCNZTKHSAR-QHCPKHFHSA-N 0 0 448.592 4.938 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccccc4)cc3)C2=O)cc1 ZINC000037545330 524026496 /nfs/dbraw/zinc/02/64/96/524026496.db2.gz IRQHBHJRRBLZMA-UHFFFAOYSA-N 0 0 445.519 4.545 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)cc1F ZINC000022069636 524031332 /nfs/dbraw/zinc/03/13/32/524031332.db2.gz RHPANKAZPVWQCH-UHFFFAOYSA-N 0 0 445.494 4.601 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860232 524065842 /nfs/dbraw/zinc/06/58/42/524065842.db2.gz ODNGWMYVVGBCRE-UHFFFAOYSA-N 0 0 436.515 4.821 50 0 IJAARN Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)n2nc(-c3ccccc3)cc2n1 ZINC000034833690 524085649 /nfs/dbraw/zinc/08/56/49/524085649.db2.gz CPRMLGOLFKJTMP-UHFFFAOYSA-N 0 0 425.319 4.984 50 0 IJAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4cccc(Cl)c4)c3s2)C1 ZINC000035533403 524110019 /nfs/dbraw/zinc/11/00/19/524110019.db2.gz KKYFJEDRCYFQAL-LBPRGKRZSA-N 0 0 433.990 4.707 50 0 IJAARN Cc1cccc(-c2ncc(C(=O)N3CCC(C)CC3)c(Oc3ccc4c(c3)OCO4)n2)c1 ZINC000035989787 524122359 /nfs/dbraw/zinc/12/23/59/524122359.db2.gz ONPUQZNMKGWPJO-UHFFFAOYSA-N 0 0 431.492 4.845 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)CCC(C)C)n2Cc2ccco2)c1 ZINC000012803674 524126768 /nfs/dbraw/zinc/12/67/68/524126768.db2.gz XEPQHLRFUUROGI-SFHVURJKSA-N 0 0 426.586 4.928 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c1OC ZINC000020892557 524130060 /nfs/dbraw/zinc/13/00/60/524130060.db2.gz GPSRROBDIBLGKJ-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN COc1cccc([C@@H]2[C@H](C(=O)N(C)Cc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928083 524134236 /nfs/dbraw/zinc/13/42/36/524134236.db2.gz QWMVUEQIUIGFMP-CLJLJLNGSA-N 0 0 440.543 4.797 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c1OC ZINC000020892561 524186370 /nfs/dbraw/zinc/18/63/70/524186370.db2.gz GPSRROBDIBLGKJ-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000033059942 524217700 /nfs/dbraw/zinc/21/77/00/524217700.db2.gz VGPKEQUXGYGTKD-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000012760531 524222797 /nfs/dbraw/zinc/22/27/97/524222797.db2.gz HDOOAUUMCRDMEX-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033141975 524240542 /nfs/dbraw/zinc/24/05/42/524240542.db2.gz XDHTVMIZDKQGJD-HXUWFJFHSA-N 0 0 430.552 4.623 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 ZINC000000679831 524240642 /nfs/dbraw/zinc/24/06/42/524240642.db2.gz MBRZDMHIRRMGRS-UHFFFAOYSA-N 0 0 438.709 4.818 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022928866 524258216 /nfs/dbraw/zinc/25/82/16/524258216.db2.gz JAIXMWPKMDTQEN-SFHVURJKSA-N 0 0 447.048 4.537 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020729175 524273561 /nfs/dbraw/zinc/27/35/61/524273561.db2.gz CLZVNCMYNAXIBG-MRXNPFEDSA-N 0 0 430.386 4.749 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)c(C)c1 ZINC000012901218 524280738 /nfs/dbraw/zinc/28/07/38/524280738.db2.gz DEIOJAWAJYSWRJ-UHFFFAOYSA-N 0 0 439.943 4.950 50 0 IJAARN COc1ccccc1-c1nnc(S[C@H]2CCc3ccccc3NC2=O)n1-c1ccccc1 ZINC000020717905 524291974 /nfs/dbraw/zinc/29/19/74/524291974.db2.gz HPUYPXVHXXNHRX-QFIPXVFZSA-N 0 0 442.544 4.989 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)c(C)c1 ZINC000020954692 524322242 /nfs/dbraw/zinc/32/22/42/524322242.db2.gz STURFYBUYRWVND-HSZRJFAPSA-N 0 0 440.634 4.751 50 0 IJAARN Cc1ccc(CCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000021166902 524333646 /nfs/dbraw/zinc/33/36/46/524333646.db2.gz JKXZZGDYZVDMDO-UHFFFAOYSA-N 0 0 431.966 4.637 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000012628507 524359178 /nfs/dbraw/zinc/35/91/78/524359178.db2.gz JQYHKEDGVCUUAR-TXEJJXNPSA-N 0 0 445.279 4.938 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000035925166 524360287 /nfs/dbraw/zinc/36/02/87/524360287.db2.gz AOSCJCRPJYUXHI-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC2CC2)C(=O)c2ccccc2F)o1 ZINC000033793804 524414275 /nfs/dbraw/zinc/41/42/75/524414275.db2.gz GKEVZAKFRPJUJI-UHFFFAOYSA-N 0 0 448.538 4.851 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccccc2F)C2CC2)o1 ZINC000035809341 524415596 /nfs/dbraw/zinc/41/55/96/524415596.db2.gz AIBXRBHJQGFQPC-UHFFFAOYSA-N 0 0 434.511 4.603 50 0 IJAARN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4)o3)no2)c1 ZINC000021721488 524418785 /nfs/dbraw/zinc/41/87/85/524418785.db2.gz BTYURRAFXLURLP-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128193 524434018 /nfs/dbraw/zinc/43/40/18/524434018.db2.gz IYWQJWXPMJBYNS-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCC(=O)c3ccccc3)C2)c(C)c1 ZINC000012440952 524482403 /nfs/dbraw/zinc/48/24/03/524482403.db2.gz JIAOJLAZNVNBAI-FQEVSTJZSA-N 0 0 436.552 4.624 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)CCCc3ccccc3)cc2)n1 ZINC000012438127 524488403 /nfs/dbraw/zinc/48/84/03/524488403.db2.gz LKPXJHSWCJUGNL-VWLOTQADSA-N 0 0 444.579 4.832 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000012927099 524488843 /nfs/dbraw/zinc/48/88/43/524488843.db2.gz DWZIKCOLPSXRLB-UHFFFAOYSA-N 0 0 433.291 4.973 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000035400675 524520638 /nfs/dbraw/zinc/52/06/38/524520638.db2.gz VVAWKXIPVTZZAX-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000012139669 524530865 /nfs/dbraw/zinc/53/08/65/524530865.db2.gz XYIDVBIVYKDXJX-IBGZPJMESA-N 0 0 443.576 4.559 50 0 IJAARN Cc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000035836996 524540667 /nfs/dbraw/zinc/54/06/67/524540667.db2.gz NIGKVJCJUPRRMS-UHFFFAOYSA-N 0 0 427.470 4.533 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccs2)CC1 ZINC000020857505 524559600 /nfs/dbraw/zinc/55/96/00/524559600.db2.gz JYRPPMBVPIGWJP-HTAPYJJXSA-N 0 0 441.622 4.500 50 0 IJAARN COc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1OC ZINC000021036958 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0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)on1 ZINC000021718478 525493767 /nfs/dbraw/zinc/49/37/67/525493767.db2.gz DVCHMLZVOKXOIW-AWEZNQCLSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCc3ccccc3Cn3ccnc3)c2oc1-c1ccccc1 ZINC000012535532 525521771 /nfs/dbraw/zinc/52/17/71/525521771.db2.gz MMYFKPDBFLPOLF-UHFFFAOYSA-N 0 0 449.510 4.943 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2oc1-c1ccccc1 ZINC000020622613 525522141 /nfs/dbraw/zinc/52/21/41/525522141.db2.gz KRSQPKOYQFGBET-UHFFFAOYSA-N 0 0 438.527 4.726 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NC2CCCCCC2)cc1 ZINC000020850407 525554045 /nfs/dbraw/zinc/55/40/45/525554045.db2.gz XUCKHTHKLWQWIG-XMMPIXPASA-N 0 0 440.609 4.512 50 0 IJAARN Cc1c(C(=O)NCC(C)C)sc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 ZINC000012190060 525604320 /nfs/dbraw/zinc/60/43/20/525604320.db2.gz XOANDKOVNHKGIF-UHFFFAOYSA-N 0 0 438.597 4.546 50 0 IJAARN Cc1c(C(=O)NCC2CCCCC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000012098900 525608045 /nfs/dbraw/zinc/60/80/45/525608045.db2.gz XBUKZSCJVKLAKU-UHFFFAOYSA-N 0 0 438.553 4.651 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885261 525611503 /nfs/dbraw/zinc/61/15/03/525611503.db2.gz CAULNVNACSBQNR-AWEZNQCLSA-N 0 0 426.925 4.964 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2cccs2)C3=O)o1 ZINC000021526825 525618282 /nfs/dbraw/zinc/61/82/82/525618282.db2.gz RMSJFFQVKHMOAM-XMMPIXPASA-N 0 0 439.581 4.858 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(Cc2ccccc2)C3=O)o1 ZINC000021526746 525619070 /nfs/dbraw/zinc/61/90/70/525619070.db2.gz COTDJPOBXCNDGA-AREMUKBSSA-N 0 0 433.552 4.796 50 0 IJAARN COc1ccc2cc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c(C)nc2c1 ZINC000012393328 525623326 /nfs/dbraw/zinc/62/33/26/525623326.db2.gz LBFRGZAMXXEHJC-UHFFFAOYSA-N 0 0 443.469 4.529 50 0 IJAARN Cc1c(C(=O)NCc2cccnc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490053 525630685 /nfs/dbraw/zinc/63/06/85/525630685.db2.gz KFLXRVJWASIKFH-UHFFFAOYSA-N 0 0 432.911 4.577 50 0 IJAARN C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 ZINC000012737235 525655677 /nfs/dbraw/zinc/65/56/77/525655677.db2.gz VHJBYAAKEVQULY-LBPRGKRZSA-N 0 0 436.737 4.668 50 0 IJAARN C[C@H](Nc1ccc(N2CCOCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012790145 525656001 /nfs/dbraw/zinc/65/60/01/525656001.db2.gz UMDTYZLJAOKVRN-AWEZNQCLSA-N 0 0 438.578 4.723 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1C ZINC000022508701 525673082 /nfs/dbraw/zinc/67/30/82/525673082.db2.gz JMXZIBKUEZRFHM-UHFFFAOYSA-N 0 0 445.588 4.884 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)cc(=O)n2o1 ZINC000035429520 525674553 /nfs/dbraw/zinc/67/45/53/525674553.db2.gz MWTBVYOCWNTICV-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)[C@H](C)Oc3ccc(C)cc3)cc(=O)n2o1 ZINC000035429428 525676016 /nfs/dbraw/zinc/67/60/16/525676016.db2.gz SXIIXTFHNYMUFS-KRWDZBQOSA-N 0 0 449.532 4.603 50 0 IJAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000021801648 525676681 /nfs/dbraw/zinc/67/66/81/525676681.db2.gz CXKBBGJYHVNGQH-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O ZINC000012884627 525676777 /nfs/dbraw/zinc/67/67/77/525676777.db2.gz IIAHICYBUPTUDY-OAHLLOKOSA-N 0 0 438.911 4.671 50 0 biogenic IJAARN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523339 525678957 /nfs/dbraw/zinc/67/89/57/525678957.db2.gz PZRUBRBLFNULDW-QFIPXVFZSA-N 0 0 434.565 4.684 50 0 IJAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccccc1 ZINC000012321791 525686074 /nfs/dbraw/zinc/68/60/74/525686074.db2.gz BRTGMFRWVLJNNP-UHFFFAOYSA-N 0 0 434.517 4.831 50 0 IJAARN Cc1cc2oc(=O)cc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c2cc1C(C)C ZINC000021511299 525689972 /nfs/dbraw/zinc/68/99/72/525689972.db2.gz HVBGNRLKIOJWEM-UHFFFAOYSA-N 0 0 427.541 4.553 50 0 IJAARN Cc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc4c(c3)OCO4)CO2)cc1 ZINC000020934016 525715340 /nfs/dbraw/zinc/71/53/40/525715340.db2.gz RNVGBGVCVYCQKQ-UHFFFAOYSA-N 0 0 427.456 4.849 50 0 IJAARN COc1cccc(-n2cnnc2S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000012554091 525753478 /nfs/dbraw/zinc/75/34/78/525753478.db2.gz GNMPLHSFKJSBDZ-SFHVURJKSA-N 0 0 444.560 4.662 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022405913 525768394 /nfs/dbraw/zinc/76/83/94/525768394.db2.gz XMZCQEPDRPLNJD-UHFFFAOYSA-N 0 0 432.904 4.770 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4cccc(Cl)c4)c(=O)c23)cc1 ZINC000012778569 525788134 /nfs/dbraw/zinc/78/81/34/525788134.db2.gz SDYJGBRZGIGPSG-OAHLLOKOSA-N 0 0 437.952 4.964 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021862947 525791465 /nfs/dbraw/zinc/79/14/65/525791465.db2.gz IKTOLBMJBDCARJ-SANMLTNESA-N 0 0 431.536 4.612 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(F)cc1 ZINC000035482108 525791551 /nfs/dbraw/zinc/79/15/51/525791551.db2.gz YATKBJHOTUMKNB-QHCPKHFHSA-N 0 0 425.529 4.710 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)o2)cc1 ZINC000012815066 525843220 /nfs/dbraw/zinc/84/32/20/525843220.db2.gz DQNNLMXMSTUEPU-FQEVSTJZSA-N 0 0 433.508 4.503 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3nc(CN4C[C@H](C)C[C@@H](C)C4)cs3)n2)cc1 ZINC000022295730 525875836 /nfs/dbraw/zinc/87/58/36/525875836.db2.gz IPJFEHGVUZCNSJ-IAGOWNOFSA-N 0 0 439.585 4.551 50 0 IJAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000021841747 525885257 /nfs/dbraw/zinc/88/52/57/525885257.db2.gz XVIMIRGVGMQPBN-CYBMUJFWSA-N 0 0 440.849 4.785 50 0 IJAARN C[C@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 ZINC000012676363 525885470 /nfs/dbraw/zinc/88/54/70/525885470.db2.gz MJMWZSMSZZYKIX-JTQLQIEISA-N 0 0 448.913 4.898 50 0 IJAARN Cc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000012601582 525903542 /nfs/dbraw/zinc/90/35/42/525903542.db2.gz OPTDJFHLNOSYML-MRXNPFEDSA-N 0 0 430.533 4.552 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2=O)cc1C ZINC000033128088 525930825 /nfs/dbraw/zinc/93/08/25/525930825.db2.gz JJSMAPFJSXIKEN-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN Cc1cn2c(nc(COc3cc(NC(=O)c4ccccc4Cl)ccc3C)cc2=O)s1 ZINC000041077360 525941717 /nfs/dbraw/zinc/94/17/17/525941717.db2.gz RXKUNLCCIYRSEH-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000023984246 525973496 /nfs/dbraw/zinc/97/34/96/525973496.db2.gz OBVKUJAJHVOEGF-ZDUSSCGKSA-N 0 0 428.451 4.563 50 0 IJAARN COc1cccc(CNC(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 ZINC000012597209 525974156 /nfs/dbraw/zinc/97/41/56/525974156.db2.gz PBJBMAABXFYMPX-UHFFFAOYSA-N 0 0 428.583 4.822 50 0 IJAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)C2(c4ccc(Cl)cc4)CCC2)O3)n1 ZINC000012182777 525983350 /nfs/dbraw/zinc/98/33/50/525983350.db2.gz IRCSDRVGPPSCFN-QFIPXVFZSA-N 0 0 447.966 4.955 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CCCC2)cc1 ZINC000035949303 525988088 /nfs/dbraw/zinc/98/80/88/525988088.db2.gz HOOZVTRZJRUBBQ-RUZDIDTESA-N 0 0 431.580 4.938 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000012647958 526003821 /nfs/dbraw/zinc/00/38/21/526003821.db2.gz MYJSCJHPZLRBBQ-OXQOHEQNSA-N 0 0 425.529 4.988 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 ZINC000022239586 526004226 /nfs/dbraw/zinc/00/42/26/526004226.db2.gz KLXLOWJVDNCILE-AEFFLSMTSA-N 0 0 432.549 4.819 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033025204 526007230 /nfs/dbraw/zinc/00/72/30/526007230.db2.gz MLKNSAMNVDRWRT-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN C[C@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1sccc1C(N)=O ZINC000012577253 526007440 /nfs/dbraw/zinc/00/74/40/526007440.db2.gz FSEBRIALFHRILT-NSHDSACASA-N 0 0 440.575 4.638 50 0 IJAARN C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)c1nc2ccccc2s1 ZINC000012810044 526014939 /nfs/dbraw/zinc/01/49/39/526014939.db2.gz MBVRGNXJRJXKJV-INIZCTEOSA-N 0 0 437.594 4.626 50 0 IJAARN CSc1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128106 526130569 /nfs/dbraw/zinc/13/05/69/526130569.db2.gz VRLKCGVUKBZQKA-MRXNPFEDSA-N 0 0 425.579 4.691 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c2n1 ZINC000012543274 526131327 /nfs/dbraw/zinc/13/13/27/526131327.db2.gz GVRFALHXCGJLKK-ZDUSSCGKSA-N 0 0 444.318 4.993 50 0 IJAARN Cc1ccc(C(=O)N2C[C@@H](C(=O)N(C)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042267 526133957 /nfs/dbraw/zinc/13/39/57/526133957.db2.gz OCCBWBBYLWRFQA-NHCUHLMSSA-N 0 0 432.486 4.736 50 0 IJAARN Cc1ccc(C(=O)N2C[C@H](C(=O)N(C)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036042271 526137606 /nfs/dbraw/zinc/13/76/06/526137606.db2.gz OCCBWBBYLWRFQA-RTWAWAEBSA-N 0 0 432.486 4.736 50 0 IJAARN C[C@@H](c1ccon1)N(C)C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012161373 526154395 /nfs/dbraw/zinc/15/43/95/526154395.db2.gz DNWUEZKRELCKPL-AFMDSPMNSA-N 0 0 431.536 4.533 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012812515 526166986 /nfs/dbraw/zinc/16/69/86/526166986.db2.gz JMBOOYMGDWUCBN-GOSISDBHSA-N 0 0 433.577 4.973 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 ZINC000041089701 526195607 /nfs/dbraw/zinc/19/56/07/526195607.db2.gz WWXLCHJOBPHSGE-UHFFFAOYSA-N 0 0 436.493 4.541 50 0 IJAARN COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@H]23)c1 ZINC000035870597 526201532 /nfs/dbraw/zinc/20/15/32/526201532.db2.gz FBZTUGNDSJXJNF-UKILVPOCSA-N 0 0 447.966 4.855 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 ZINC000014251163 526203673 /nfs/dbraw/zinc/20/36/73/526203673.db2.gz ARHVSFGSDKWKHA-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN Cc1cc(C(=O)COc2cccc3c2CCC[C@@H]3O)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012786826 526213079 /nfs/dbraw/zinc/21/30/79/526213079.db2.gz YJVDDRGFRSEAAO-XXBNENTESA-N 0 0 447.531 4.576 50 0 IJAARN CSc1ncccc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000012772908 526222421 /nfs/dbraw/zinc/22/24/21/526222421.db2.gz DLLNNUIKDAUYGM-UHFFFAOYSA-N 0 0 431.561 4.523 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccccc3Cl)cc(=O)n2c1 ZINC000021156931 526250017 /nfs/dbraw/zinc/25/00/17/526250017.db2.gz UHYDTWIRSMTFLY-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc(F)cc4F)c3)cc(=O)n2c1 ZINC000033068171 526250154 /nfs/dbraw/zinc/25/01/54/526250154.db2.gz ZBASABZJSZKMTD-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccccc1Br ZINC000012857056 526294498 /nfs/dbraw/zinc/29/44/98/526294498.db2.gz IDTJVEAUTWHBPL-HNNXBMFYSA-N 0 0 441.373 4.871 50 0 IJAARN O=C(C1CCCC1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 ZINC000035979695 526296286 /nfs/dbraw/zinc/29/62/86/526296286.db2.gz FGQOPHMFHSZUOB-LJQANCHMSA-N 0 0 436.383 4.936 50 0 IJAARN O=C(C1CCCCC1)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000034928302 526299114 /nfs/dbraw/zinc/29/91/14/526299114.db2.gz AOUSDTRQBUZJNL-UHFFFAOYSA-N 0 0 426.504 4.684 50 0 IJAARN Cc1nn2c(ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2C)c1-c1ccccc1 ZINC000021914605 526312615 /nfs/dbraw/zinc/31/26/15/526312615.db2.gz RIUSUZUEDRHJRC-UHFFFAOYSA-N 0 0 439.563 4.592 50 0 IJAARN Fc1ccc(N2CCN([C@@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 ZINC000035562401 526352137 /nfs/dbraw/zinc/35/21/37/526352137.db2.gz VVOMOUXGINSQBJ-HSZRJFAPSA-N 0 0 432.474 4.926 50 0 IJAARN Cc1nnc(SC(C)(C)C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)s1 ZINC000022636560 526378352 /nfs/dbraw/zinc/37/83/52/526378352.db2.gz UTDFDBZTDIPTDM-UHFFFAOYSA-N 0 0 441.604 4.639 50 0 IJAARN Fc1cccc(-c2nnc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccccn4)CC3)o2)c1 ZINC000020534382 526381476 /nfs/dbraw/zinc/38/14/76/526381476.db2.gz VPDCCQRJJKBHBP-JOCHJYFZSA-N 0 0 449.917 4.836 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000012629587 526393022 /nfs/dbraw/zinc/39/30/22/526393022.db2.gz CPYFXHKYIYTWDR-UHFFFAOYSA-N 0 0 440.385 4.501 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000012559035 526393748 /nfs/dbraw/zinc/39/37/48/526393748.db2.gz LTCWYWWEBUBERR-JLPGSUDCSA-N 0 0 443.934 4.951 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000012574726 526426551 /nfs/dbraw/zinc/42/65/51/526426551.db2.gz CSGHYNYRXYIWJV-UHFFFAOYSA-N 0 0 434.580 4.609 50 0 IJAARN O=C(NCCc1ccccn1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906522 526432733 /nfs/dbraw/zinc/43/27/33/526432733.db2.gz WYLQJQAETYDFDG-UHFFFAOYSA-N 0 0 445.611 4.587 50 0 IJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCc1ccccc1Cl ZINC000033072734 526466973 /nfs/dbraw/zinc/46/69/73/526466973.db2.gz PKFUJRZIDQXDMZ-UHFFFAOYSA-N 0 0 436.918 4.911 50 0 IJAARN Cc1noc(C)c1CC(=O)Oc1ccc(-c2ccc(I)cc2)cc1 ZINC000023269488 526483028 /nfs/dbraw/zinc/48/30/28/526483028.db2.gz GWXBBQOVJANGSX-UHFFFAOYSA-N 0 0 433.245 4.711 50 0 IJAARN O=C(CCNC(=O)c1ccco1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000012679677 526507650 /nfs/dbraw/zinc/50/76/50/526507650.db2.gz ZYWNJQKKYKOWQY-UHFFFAOYSA-N 0 0 449.507 4.896 50 0 IJAARN O=C([C@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1)N1CCOCC1 ZINC000012566966 526519232 /nfs/dbraw/zinc/51/92/32/526519232.db2.gz CIKQLFTZQAAZBO-HSZRJFAPSA-N 0 0 429.545 4.975 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)OCc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000012467629 526521799 /nfs/dbraw/zinc/52/17/99/526521799.db2.gz BXTGLSHSKGYZST-UHFFFAOYSA-N 0 0 429.856 4.538 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccccc2OCc2c(F)cccc2F)n1 ZINC000034714158 526522290 /nfs/dbraw/zinc/52/22/90/526522290.db2.gz UHPAMMORFKXSPU-AWEZNQCLSA-N 0 0 430.476 4.576 50 0 IJAARN O=C([C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000012524939 526522998 /nfs/dbraw/zinc/52/29/98/526522998.db2.gz KYINIVCEZTXIQT-OAQYLSRUSA-N 0 0 430.533 4.983 50 0 IJAARN O=C(NC[C@@H]1Cc2c(c(-c3ncccn3)ccc2F)O1)C(c1ccccc1)c1ccccc1 ZINC000012572071 526560246 /nfs/dbraw/zinc/56/02/46/526560246.db2.gz IZRGORYBGYYOPO-FQEVSTJZSA-N 0 0 439.490 4.535 50 0 IJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012758195 526561611 /nfs/dbraw/zinc/56/16/11/526561611.db2.gz IISUHWVWSIPBNP-QQYMGJJXSA-N 0 0 436.581 4.536 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000011910245 526563044 /nfs/dbraw/zinc/56/30/44/526563044.db2.gz UNKLPYATDCLYLP-JIRGNYJKSA-N 0 0 430.592 4.848 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCCn1ccc2ccccc21 ZINC000012211829 526563152 /nfs/dbraw/zinc/56/31/52/526563152.db2.gz QEDJCLGAICDGFO-NDEPHWFRSA-N 0 0 439.559 4.582 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCc2ccccc2)CC1 ZINC000035512536 526568522 /nfs/dbraw/zinc/56/85/22/526568522.db2.gz XSQWTJXAFQOLLL-UHFFFAOYSA-N 0 0 447.604 4.986 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)CSc3ncnc4sc(C)c(C)c43)o2)cs1 ZINC000012619056 526569615 /nfs/dbraw/zinc/56/96/15/526569615.db2.gz OLKFFTDTNVDHGQ-UHFFFAOYSA-N 0 0 430.580 4.742 50 0 IJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)C(C)(C)C)CC2)c1Cc1ccccc1 ZINC000035890381 526584176 /nfs/dbraw/zinc/58/41/76/526584176.db2.gz RHARTKVUCYAPKB-UHFFFAOYSA-N 0 0 446.570 4.877 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(-c4ccccc4F)n3)ccc21)N1CCCCCC1 ZINC000035460652 526681893 /nfs/dbraw/zinc/68/18/93/526681893.db2.gz MHNTXXZGFJZAQG-UHFFFAOYSA-N 0 0 433.487 4.685 50 0 IJAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012568162 526682403 /nfs/dbraw/zinc/68/24/03/526682403.db2.gz CWVKIXSUGRXKSW-UHFFFAOYSA-N 0 0 436.515 4.596 50 0 IJAARN O=C(CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccccc1F ZINC000012765879 526685690 /nfs/dbraw/zinc/68/56/90/526685690.db2.gz VWKVGZYTTQBFQX-UHFFFAOYSA-N 0 0 427.888 4.946 50 0 IJAARN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000016491426 526705300 /nfs/dbraw/zinc/70/53/00/526705300.db2.gz YQQRXHRGPIGTMJ-UHFFFAOYSA-N 0 0 434.492 4.813 50 0 IJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020732970 526764226 /nfs/dbraw/zinc/76/42/26/526764226.db2.gz SUNHKBDUEDRDRC-DEOSSOPVSA-N 0 0 425.532 4.845 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1)N1CCCC1 ZINC000033311426 526774778 /nfs/dbraw/zinc/77/47/78/526774778.db2.gz XQBMIWKVCRBLIV-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1)N1CCCC1 ZINC000033311337 526775015 /nfs/dbraw/zinc/77/50/15/526775015.db2.gz AFPLOPBDMVDYKE-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)NC[C@@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 ZINC000012886771 526781011 /nfs/dbraw/zinc/78/10/11/526781011.db2.gz VDZHVRULTYAQNF-SFHVURJKSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN O=C(NCc1nc(-c2ccncc2)no1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000012543678 526816690 /nfs/dbraw/zinc/81/66/90/526816690.db2.gz JVXIORWRAGPVNL-UHFFFAOYSA-N 0 0 439.397 4.824 50 0 IJAARN O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000020989113 526828885 /nfs/dbraw/zinc/82/88/85/526828885.db2.gz FCHUCACSUDIKTN-UHFFFAOYSA-N 0 0 448.422 4.508 50 0 IJAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012296636 526837892 /nfs/dbraw/zinc/83/78/92/526837892.db2.gz FKGWXTXCVYAVDT-UHFFFAOYSA-N 0 0 440.503 4.667 50 0 biogenic IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 ZINC000032983584 526863505 /nfs/dbraw/zinc/86/35/05/526863505.db2.gz OPJRWPNGGLGEES-IBGZPJMESA-N 0 0 433.558 4.851 50 0 IJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1cc(-c2cccs2)on1 ZINC000014756236 526874460 /nfs/dbraw/zinc/87/44/60/526874460.db2.gz SLMUHMFNGKPHPR-UHFFFAOYSA-N 0 0 432.910 4.744 50 0 IJAARN Cc1sc(NC(=O)c2ccc(CN3CCOCC3)cc2)nc1-c1ccc(Cl)cc1 ZINC000012776188 526882975 /nfs/dbraw/zinc/88/29/75/526882975.db2.gz DBHHRBHHVMDOPI-UHFFFAOYSA-N 0 0 427.957 4.856 50 0 IJAARN O=C(c1cnccn1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000020969270 526883165 /nfs/dbraw/zinc/88/31/65/526883165.db2.gz ZJKXTTLCZJGEBS-CYBMUJFWSA-N 0 0 435.336 4.733 50 0 IJAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000022868254 526926642 /nfs/dbraw/zinc/92/66/42/526926642.db2.gz GITYCHIRJHSDHB-UHFFFAOYSA-N 0 0 447.897 4.983 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000012676296 526955462 /nfs/dbraw/zinc/95/54/62/526955462.db2.gz JPVWKNJTEBDYQH-UHFFFAOYSA-N 0 0 443.330 4.983 50 0 IJAARN Clc1ccccc1-c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000022752468 526985802 /nfs/dbraw/zinc/98/58/02/526985802.db2.gz HONOJIBUFCJXNC-UHFFFAOYSA-N 0 0 427.957 4.510 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n(C[C@H]2CCCO2)c1C ZINC000024513388 527023287 /nfs/dbraw/zinc/02/32/87/527023287.db2.gz PUEXXGHGIUZOTN-FUHWJXTLSA-N 0 0 442.610 4.922 50 0 IJAARN O=C1C[C@H](c2cccc(F)c2F)c2c(=O)[nH]c(SCc3cccc(Cl)c3)nc2N1 ZINC000020464035 527031698 /nfs/dbraw/zinc/03/16/98/527031698.db2.gz PRKWQPDCSNWVKQ-CYBMUJFWSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1NCCCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000012528443 527061640 /nfs/dbraw/zinc/06/16/40/527061640.db2.gz GEIXFHDQRFATTN-IBGZPJMESA-N 0 0 437.956 4.830 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000021846535 527064835 /nfs/dbraw/zinc/06/48/35/527064835.db2.gz WRINHXYZEOVLJZ-MRXNPFEDSA-N 0 0 449.001 4.565 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NC1CCCC1 ZINC000009218570 527067021 /nfs/dbraw/zinc/06/70/21/527067021.db2.gz XEYJHJOLRIXCFX-UHFFFAOYSA-N 0 0 431.627 4.603 50 0 IJAARN O=C(CSc1nnc2ccc(-c3cccs3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000015881722 527089302 /nfs/dbraw/zinc/08/93/02/527089302.db2.gz FJMDEGCBMOPVAK-UHFFFAOYSA-N 0 0 435.456 4.602 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1Oc1ccccc1 ZINC000001036325 527104610 /nfs/dbraw/zinc/10/46/10/527104610.db2.gz SPIAIZXRENUBJT-UHFFFAOYSA-N 0 0 443.425 4.982 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1cccc(Cl)c1 ZINC000012237520 527136887 /nfs/dbraw/zinc/13/68/87/527136887.db2.gz MDVQADCVZWFMTQ-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000012385150 527141035 /nfs/dbraw/zinc/14/10/35/527141035.db2.gz IWHOFZGJCDVMOY-UHFFFAOYSA-N 0 0 425.488 4.986 50 0 IJAARN Cc1nc2ccc(O[C@H]3CCc4ccccc4NC3=O)cc2c(=O)n1-c1ccc(F)cc1 ZINC000020737116 527148381 /nfs/dbraw/zinc/14/83/81/527148381.db2.gz QSUHXZKSZAIBPF-QHCPKHFHSA-N 0 0 429.451 4.815 50 0 IJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000016008798 527158454 /nfs/dbraw/zinc/15/84/54/527158454.db2.gz ZVHJNAZXHBGPAR-UHFFFAOYSA-N 0 0 427.298 4.567 50 0 IJAARN O=C(Nc1ccc(Br)cn1)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000012428415 527159974 /nfs/dbraw/zinc/15/99/74/527159974.db2.gz KBJYFUICJFTEIP-UHFFFAOYSA-N 0 0 442.100 4.636 50 0 IJAARN O=C(Nc1ccc(CNC(=O)c2cnc3ccccc3c2N2CCCC2)cc1)c1ccco1 ZINC000040088122 527170769 /nfs/dbraw/zinc/17/07/69/527170769.db2.gz YUSJXPHYWZBAEI-UHFFFAOYSA-N 0 0 440.503 4.610 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1cc(Br)cs1 ZINC000012793634 527198379 /nfs/dbraw/zinc/19/83/79/527198379.db2.gz PZIVYMYSUKWONJ-UHFFFAOYSA-N 0 0 428.714 4.729 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012687588 527224477 /nfs/dbraw/zinc/22/44/77/527224477.db2.gz TYPXIWMVRVSFLO-QHCPKHFHSA-N 0 0 426.472 4.520 50 0 IJAARN O=C(Nc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c(C(F)(F)F)c1)C1CC1 ZINC000012605159 527234073 /nfs/dbraw/zinc/23/40/73/527234073.db2.gz ALTJJEYZFLKING-UHFFFAOYSA-N 0 0 436.455 4.783 50 0 IJAARN O=S(=O)(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000020854171 527240489 /nfs/dbraw/zinc/24/04/89/527240489.db2.gz FIOVQBCVVLJNFA-IBGZPJMESA-N 0 0 443.887 4.597 50 0 IJAARN O=S(=O)(c1cc(-c2noc(C3CCC3)n2)cs1)N1CC=C(c2ccccc2)CC1 ZINC000035454897 527265843 /nfs/dbraw/zinc/26/58/43/527265843.db2.gz QNMIYKYVJHHBFB-UHFFFAOYSA-N 0 0 427.551 4.544 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccc3c(c1)OCO3)CC2)c1ccccc1Cl ZINC000012459731 527278457 /nfs/dbraw/zinc/27/84/57/527278457.db2.gz RMLOAAKAYAKUSQ-UHFFFAOYSA-N 0 0 434.879 4.520 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000023480955 527282404 /nfs/dbraw/zinc/28/24/04/527282404.db2.gz HKVAMJAQWFSPFE-UHFFFAOYSA-N 0 0 435.376 4.653 50 0 IJAARN O=C(Cc1cccs1)NC[C@@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1 ZINC000020599030 527302865 /nfs/dbraw/zinc/30/28/65/527302865.db2.gz RMNCRLBXXBZTJF-SFHVURJKSA-N 0 0 435.520 4.809 50 0 IJAARN O=[N+]([O-])C(C(=C(Cl)Cl)N1CCCC1)=C1N(c2ccccc2)CCN1c1ccccc1 ZINC000058189456 527318841 /nfs/dbraw/zinc/31/88/41/527318841.db2.gz OMBVYYMGQSDBEG-UHFFFAOYSA-N 0 0 445.350 4.673 50 0 IJAARN O=C(Cc1cn2ccccc2n1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012532431 527321792 /nfs/dbraw/zinc/32/17/92/527321792.db2.gz SSVGVKZLMUULGW-UHFFFAOYSA-N 0 0 438.409 4.787 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000012677870 527390628 /nfs/dbraw/zinc/39/06/28/527390628.db2.gz SKTVPZZCVOLOAZ-UHFFFAOYSA-N 0 0 444.560 4.502 50 0 IJAARN Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1cc(F)ccc1F ZINC000035503853 527423355 /nfs/dbraw/zinc/42/33/55/527423355.db2.gz YVRGCMMMBUSVOQ-UHFFFAOYSA-N 0 0 434.269 4.681 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013128456 527425289 /nfs/dbraw/zinc/42/52/89/527425289.db2.gz IZHCEQFGDSUKCS-HSZRJFAPSA-N 0 0 426.472 4.520 50 0 IJAARN O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000012908684 527426498 /nfs/dbraw/zinc/42/64/98/527426498.db2.gz FFXLBBXDEXDHSE-UHFFFAOYSA-N 0 0 438.512 4.826 50 0 IJAARN O=C(N1CCN(C(=O)C23C[C@@H]4CC(C[C@@H](C4)C2)CC3)CC1)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000012658878 527442244 /nfs/dbraw/zinc/44/22/44/527442244.db2.gz IPTLURSLNMTMOS-OMRGMOHCSA-N 0 0 438.656 4.870 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000022749875 527453567 /nfs/dbraw/zinc/45/35/67/527453567.db2.gz NOWMYNIXDUKPNV-QHCPKHFHSA-N 0 0 441.922 4.932 50 0 IJAARN O=C(Nc1ccnn1Cc1ccccc1Br)c1cc(F)c(F)cc1Cl ZINC000012922562 527462567 /nfs/dbraw/zinc/46/25/67/527462567.db2.gz GJEVWVKMRDQAPL-UHFFFAOYSA-N 0 0 426.648 4.878 50 0 IJAARN O=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(Br)s1 ZINC000012931962 527462882 /nfs/dbraw/zinc/46/28/82/527462882.db2.gz RGIAGLHEOYWLCV-UHFFFAOYSA-N 0 0 441.148 4.770 50 0 IJAARN O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1Br)c1ccc(F)cc1 ZINC000012257123 527488614 /nfs/dbraw/zinc/48/86/14/527488614.db2.gz OWXZYACXYDONQB-INIZCTEOSA-N 0 0 443.110 4.749 50 0 IJAARN O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1cccs1 ZINC000021523326 527508677 /nfs/dbraw/zinc/50/86/77/527508677.db2.gz YQUMULGADGURKS-HXUWFJFHSA-N 0 0 440.956 4.638 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000012885275 527528273 /nfs/dbraw/zinc/52/82/73/527528273.db2.gz IKYZTLUROZOPDS-CQSZACIVSA-N 0 0 426.875 4.890 50 0 IJAARN Cn1cnnc1SCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000012588724 527528665 /nfs/dbraw/zinc/52/86/65/527528665.db2.gz FHWDLRPZAFVSSM-HSXGGSBCSA-N 0 0 443.576 4.730 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccc(N4CCCC4=O)cc3)cc12 ZINC000012568161 527530229 /nfs/dbraw/zinc/53/02/29/527530229.db2.gz CVMCJBLLRVVKTH-UHFFFAOYSA-N 0 0 448.523 4.591 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1I ZINC000012559555 527548014 /nfs/dbraw/zinc/54/80/14/527548014.db2.gz GFRSBVIVPUBZBZ-UHFFFAOYSA-N 0 0 437.668 4.691 50 0 IJAARN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021660841 527571445 /nfs/dbraw/zinc/57/14/45/527571445.db2.gz UCNLFCMDNKHLJH-HNNXBMFYSA-N 0 0 425.414 4.560 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020891309 527571831 /nfs/dbraw/zinc/57/18/31/527571831.db2.gz HFFGIWMGYWMQRF-GOSISDBHSA-N 0 0 428.489 4.843 50 0 IJAARN O=C(NCC1CC1)c1cnc(-c2ccc(F)cc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000036003189 527598206 /nfs/dbraw/zinc/59/82/06/527598206.db2.gz JPKNNZHGFYCZNC-UHFFFAOYSA-N 0 0 444.554 4.882 50 0 IJAARN O=C(/C=C\c1ccccc1Cl)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000035681178 527658163 /nfs/dbraw/zinc/65/81/63/527658163.db2.gz QMJWZUZNOMIJLI-PFONDFGASA-N 0 0 441.984 4.929 50 0 IJAARN CCCCCCNC(=O)c1coc(CN2C(=O)COc3ccc(C(C)(C)CC)cc32)n1 ZINC000004793125 534995779 /nfs/dbraw/zinc/99/57/79/534995779.db2.gz WOQUWNOHVIHUIO-UHFFFAOYSA-N 0 0 427.545 4.598 50 0 IJAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCc1ccc(Br)cc1 ZINC000008757164 535005593 /nfs/dbraw/zinc/00/55/93/535005593.db2.gz UNTHPXDCSRZHGP-UHFFFAOYSA-N 0 0 425.373 4.657 50 0 IJAARN CCOc1ccc2cc(S(=O)(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)ccc2c1 ZINC000011613869 535440803 /nfs/dbraw/zinc/44/08/03/535440803.db2.gz HTTFLUARBJKECS-UHFFFAOYSA-N 0 0 444.984 4.711 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009670889 535986602 /nfs/dbraw/zinc/98/66/02/535986602.db2.gz RYWYQIQKWTVUBW-UHFFFAOYSA-N 0 0 435.597 4.610 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c(C)n1Cc1ccco1 ZINC000009120320 555509266 /nfs/dbraw/zinc/50/92/66/555509266.db2.gz UCKRSFPUNWUHCO-SOFGYWHQSA-N 0 0 432.270 4.541 50 0 IJAARN Cc1cc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(C)c1O ZINC000009126945 555509707 /nfs/dbraw/zinc/50/97/07/555509707.db2.gz ICIDKBHBIIRMLZ-UHFFFAOYSA-N 0 0 444.560 4.665 50 0 IJAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626766 555512936 /nfs/dbraw/zinc/51/29/36/555512936.db2.gz KMLCWFDYWHAPNF-HNNXBMFYSA-N 0 0 439.298 4.758 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 ZINC000000630311 555514573 /nfs/dbraw/zinc/51/45/73/555514573.db2.gz FSHRVAOOZIKYPA-ZDUSSCGKSA-N 0 0 442.295 4.713 50 0 IJAARN COc1ccc(C(=O)c2cc(C(=O)c3ccccc3)c3c4ccccc4ncn23)cc1OC ZINC000000633238 555515801 /nfs/dbraw/zinc/51/58/01/555515801.db2.gz MNCIHYSDYNCJRW-UHFFFAOYSA-N 0 0 436.467 4.967 50 0 IJAARN COc1ccccc1NC(=O)c1c(F)c(F)c(F)c(C(=O)Nc2ccccc2OC)c1F ZINC000000637109 555517020 /nfs/dbraw/zinc/51/70/20/555517020.db2.gz QOZQSEUKXOLROZ-UHFFFAOYSA-N 0 0 448.372 4.765 50 0 IJAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000000643951 555519591 /nfs/dbraw/zinc/51/95/91/555519591.db2.gz FZPJYLNSTRDWOM-SFHVURJKSA-N 0 0 440.609 4.932 50 0 IJAARN CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OC ZINC000000647281 555521262 /nfs/dbraw/zinc/52/12/62/555521262.db2.gz CVYNSCCYDAOUTN-UNOMPAQXSA-N 0 0 431.444 4.517 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000648672 555521927 /nfs/dbraw/zinc/52/19/27/555521927.db2.gz OMCVORQICXIKGW-UHFFFAOYSA-N 0 0 441.622 4.729 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000000648827 555522157 /nfs/dbraw/zinc/52/21/57/555522157.db2.gz SSNBYXNMCAECQM-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000654329 555524427 /nfs/dbraw/zinc/52/44/27/555524427.db2.gz CBFCVNLCZZLJCL-CYBMUJFWSA-N 0 0 427.353 4.809 50 0 IJAARN COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc(C)c1-c1ccc(F)cc1 ZINC000000668795 555529916 /nfs/dbraw/zinc/52/99/16/555529916.db2.gz ZMMUBFJFEZITOW-UHFFFAOYSA-N 0 0 429.469 4.919 50 0 IJAARN O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000000668528 555529918 /nfs/dbraw/zinc/52/99/18/555529918.db2.gz OUBBDBIYHYGTTF-UHFFFAOYSA-N 0 0 430.367 4.950 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000674296 555533109 /nfs/dbraw/zinc/53/31/09/555533109.db2.gz JTHZGKSHNRNWBZ-OCCSQVGLSA-N 0 0 442.800 4.859 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000000674626 555533458 /nfs/dbraw/zinc/53/34/58/555533458.db2.gz VYQXUUCSBUCKCK-UHFFFAOYSA-N 0 0 444.597 4.701 50 0 IJAARN O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000678374 555536016 /nfs/dbraw/zinc/53/60/16/555536016.db2.gz MZDOPQFVGNUQRV-UHFFFAOYSA-N 0 0 441.350 4.593 50 0 IJAARN CCc1cc2c(nc(SCC(=O)c3ccc(OC)cc3)n(-c3ccccc3)c2=O)s1 ZINC000000678328 555536029 /nfs/dbraw/zinc/53/60/29/555536029.db2.gz QLCJHPGFTSLMBE-UHFFFAOYSA-N 0 0 436.558 4.993 50 0 IJAARN COc1cc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC ZINC000000678982 555536620 /nfs/dbraw/zinc/53/66/20/555536620.db2.gz AAIDPLLHEWRZBS-UHFFFAOYSA-N 0 0 449.743 4.799 50 0 IJAARN CCOc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1C ZINC000000684463 555539291 /nfs/dbraw/zinc/53/92/91/555539291.db2.gz JXZQINLPHRKCPQ-JOCHJYFZSA-N 0 0 436.537 4.802 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000000687559 555540775 /nfs/dbraw/zinc/54/07/75/555540775.db2.gz PXYFGATWRLVGQN-UHFFFAOYSA-N 0 0 432.343 4.615 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 ZINC000000688639 555541341 /nfs/dbraw/zinc/54/13/41/555541341.db2.gz SBWJCYMDBOSBJK-QGZVFWFLSA-N 0 0 427.456 4.532 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000000689289 555541653 /nfs/dbraw/zinc/54/16/53/555541653.db2.gz LFZNAJRMIJIVNB-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2F)C(Cl)(Cl)Cl)cc1C ZINC000000702449 555543381 /nfs/dbraw/zinc/54/33/81/555543381.db2.gz MVFFXDSIRHRUOU-INIZCTEOSA-N 0 0 448.778 4.855 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2-c2ccccc2)c1 ZINC000000705999 555544566 /nfs/dbraw/zinc/54/45/66/555544566.db2.gz CCUMBMVWYPLWRI-SFHVURJKSA-N 0 0 444.560 4.912 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 ZINC000000796379 555558311 /nfs/dbraw/zinc/55/83/11/555558311.db2.gz MEHGZKFVENNCQT-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000000836756 555567377 /nfs/dbraw/zinc/56/73/77/555567377.db2.gz DNKXRGQBJQEZRL-CQSZACIVSA-N 0 0 437.179 4.753 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000840207 555567913 /nfs/dbraw/zinc/56/79/13/555567913.db2.gz IAMUFHPPEQVNQQ-UHFFFAOYSA-N 0 0 438.549 4.531 50 0 IJAARN COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc21 ZINC000000844085 555568428 /nfs/dbraw/zinc/56/84/28/555568428.db2.gz KGAVYZSTVYZBRD-UHFFFAOYSA-N 0 0 449.484 4.564 50 0 IJAARN CC(C)(C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000845184 555569356 /nfs/dbraw/zinc/56/93/56/555569356.db2.gz WKKYNTURRZHJQO-UHFFFAOYSA-N 0 0 441.251 4.706 50 0 IJAARN O=C(NCc1cccs1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848528 555570104 /nfs/dbraw/zinc/57/01/04/555570104.db2.gz XNWPTPNGUCKNTA-UHFFFAOYSA-N 0 0 426.807 4.653 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 ZINC000000861145 555572331 /nfs/dbraw/zinc/57/23/31/555572331.db2.gz RUKMOBHMYCMLCR-RUZDIDTESA-N 0 0 442.515 4.679 50 0 IJAARN O=C(COC(=O)c1ccc([C@@H](O)c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000000866184 555574062 /nfs/dbraw/zinc/57/40/62/555574062.db2.gz SCNQPDFWNSRKNF-NRFANRHFSA-N 0 0 425.278 4.571 50 0 IJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3N2)cc1 ZINC000000867059 555574308 /nfs/dbraw/zinc/57/43/08/555574308.db2.gz DKBUYBOADVLOME-HZPDHXFCSA-N 0 0 449.864 4.830 50 0 IJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3N2)cc1 ZINC000000867060 555574320 /nfs/dbraw/zinc/57/43/20/555574320.db2.gz DKBUYBOADVLOME-JKSUJKDBSA-N 0 0 449.864 4.830 50 0 IJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000870496 555575248 /nfs/dbraw/zinc/57/52/48/555575248.db2.gz GJXYVUCHRSTDAO-UHFFFAOYSA-N 0 0 445.976 4.611 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c1 ZINC000000879978 555577169 /nfs/dbraw/zinc/57/71/69/555577169.db2.gz NDDWRMDMHYOTTK-UHFFFAOYSA-N 0 0 448.466 4.848 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CCc2ccccc2C1 ZINC000000883910 555578394 /nfs/dbraw/zinc/57/83/94/555578394.db2.gz DPKMRJUBDFKNID-UHFFFAOYSA-N 0 0 429.467 4.839 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1I ZINC000000948720 555588461 /nfs/dbraw/zinc/58/84/61/555588461.db2.gz RPLRVXNNZMTCJZ-UHFFFAOYSA-N 0 0 438.265 4.730 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000000951491 555589096 /nfs/dbraw/zinc/58/90/96/555589096.db2.gz YSTGRHSGWNYGAJ-NRFANRHFSA-N 0 0 432.907 4.803 50 0 IJAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 ZINC000009583604 555591477 /nfs/dbraw/zinc/59/14/77/555591477.db2.gz ADMUDKNAJQTPDT-UHFFFAOYSA-N 0 0 425.510 4.575 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000000976116 555592236 /nfs/dbraw/zinc/59/22/36/555592236.db2.gz FSMWPPWKGIGTNQ-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(Br)c1 ZINC000000976783 555592630 /nfs/dbraw/zinc/59/26/30/555592630.db2.gz ZEVFAQHASNHXMR-UHFFFAOYSA-N 0 0 430.298 4.846 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c4cc(C)c(C)cc4n3)C2=O)cc1Cl ZINC000000987338 555595428 /nfs/dbraw/zinc/59/54/28/555595428.db2.gz XWBGROKLMHOACZ-LJQANCHMSA-N 0 0 425.941 4.941 50 0 IJAARN CCOc1ccc(C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC(C)C)cc1 ZINC000000994988 555598040 /nfs/dbraw/zinc/59/80/40/555598040.db2.gz UYUWFFROYDLRGK-UHFFFAOYSA-N 0 0 446.569 4.755 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000000997948 555599539 /nfs/dbraw/zinc/59/95/39/555599539.db2.gz FLQGZIZJMHPRSR-UHFFFAOYSA-N 0 0 434.496 4.716 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000001003648 555600506 /nfs/dbraw/zinc/60/05/06/555600506.db2.gz OPPSZCLLLRXMIQ-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C(=O)OCC)c1C ZINC000001009446 555601631 /nfs/dbraw/zinc/60/16/31/555601631.db2.gz KWZQKZOPUGFUBB-MFKMUULPSA-N 0 0 448.368 4.940 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000001012532 555602286 /nfs/dbraw/zinc/60/22/86/555602286.db2.gz MJIFHXXOVUZYDB-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN FC(F)(F)c1cccc(-c2nc(-c3ccccn3)ncc2-c2nnnn2-c2ccccc2)c1 ZINC000001033461 555606731 /nfs/dbraw/zinc/60/67/31/555606731.db2.gz FCLRHYPNZMTNNN-UHFFFAOYSA-N 0 0 445.408 4.867 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)C(C)(C)C)n2-c2ccc(F)cc2)cc1OC ZINC000001033394 555606789 /nfs/dbraw/zinc/60/67/89/555606789.db2.gz BIMIWWJAXCASPM-UHFFFAOYSA-N 0 0 443.544 4.722 50 0 IJAARN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001035085 555607805 /nfs/dbraw/zinc/60/78/05/555607805.db2.gz YQPXJSCDHIFPLG-UHFFFAOYSA-N 0 0 437.321 4.575 50 0 IJAARN c1nc2nc(-c3ccccc3)cc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)n2n1 ZINC000001035367 555607817 /nfs/dbraw/zinc/60/78/17/555607817.db2.gz SGHDIRPTPWJZSX-UHFFFAOYSA-N 0 0 448.515 4.585 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)n1ccc(-c2ccc(Br)s2)n1 ZINC000001039832 555609746 /nfs/dbraw/zinc/60/97/46/555609746.db2.gz POIIDRBVDKZWGJ-UHFFFAOYSA-N 0 0 438.155 4.918 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl ZINC000001052354 555613553 /nfs/dbraw/zinc/61/35/53/555613553.db2.gz JUYFJYBDJQXMKE-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000001064841 555617781 /nfs/dbraw/zinc/61/77/81/555617781.db2.gz ULWWRMQZZNTGKX-YUNKPMOVSA-N 0 0 436.733 4.566 50 0 IJAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)c1 ZINC000001065819 555618405 /nfs/dbraw/zinc/61/84/05/555618405.db2.gz VXTFSZBBXJVAKA-UHFFFAOYSA-N 0 0 430.476 4.943 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1c2ccccc2Oc2ccccc21 ZINC000001069416 555620250 /nfs/dbraw/zinc/62/02/50/555620250.db2.gz KLLFGQNNXCMLMS-UHFFFAOYSA-N 0 0 433.460 4.757 50 0 IJAARN CC(=O)n1nc(NCc2c(F)cccc2Cl)nc1NCc1c(F)cccc1Cl ZINC000001070471 555620888 /nfs/dbraw/zinc/62/08/88/555620888.db2.gz WPIJCIBKIMSYMI-UHFFFAOYSA-N 0 0 426.254 4.747 50 0 IJAARN S=C(c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)N1CCOCC1 ZINC000001073061 555622234 /nfs/dbraw/zinc/62/22/34/555622234.db2.gz NNDVHULFZLVINM-UHFFFAOYSA-N 0 0 426.763 4.689 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000001088886 555627236 /nfs/dbraw/zinc/62/72/36/555627236.db2.gz MEBYHFPDCVDLSA-UHFFFAOYSA-N 0 0 449.507 4.654 50 0 IJAARN CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)cc1 ZINC000001108285 555629807 /nfs/dbraw/zinc/62/98/07/555629807.db2.gz OBGMWRISWLKYKS-UHFFFAOYSA-N 0 0 438.574 4.993 50 0 IJAARN Cn1c(CSCc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000001110553 555631379 /nfs/dbraw/zinc/63/13/79/555631379.db2.gz QIUVSKQRTVCCDM-UHFFFAOYSA-N 0 0 448.411 4.986 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001111233 555631805 /nfs/dbraw/zinc/63/18/05/555631805.db2.gz HESUBFNSFHPSIX-UHFFFAOYSA-N 0 0 428.941 4.980 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c(OC)c1 ZINC000001113049 555633013 /nfs/dbraw/zinc/63/30/13/555633013.db2.gz PUPSXGNQDGKVRR-UHFFFAOYSA-N 0 0 442.471 4.943 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000001115226 555634054 /nfs/dbraw/zinc/63/40/54/555634054.db2.gz SZVLKDZYFGIDPA-UHFFFAOYSA-N 0 0 439.566 4.526 50 0 IJAARN COC(=O)Cc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cnn(-c3ccccc3)c1)c2=O ZINC000001118582 555636117 /nfs/dbraw/zinc/63/61/17/555636117.db2.gz OGIJYAASHCSAKL-UHFFFAOYSA-N 0 0 444.365 4.505 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000001120380 555637257 /nfs/dbraw/zinc/63/72/57/555637257.db2.gz RYQQRNVMDSWYMG-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2C)cc1 ZINC000001124084 555639578 /nfs/dbraw/zinc/63/95/78/555639578.db2.gz JMFYRLBYKQMBFC-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN CCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)NC)c3)c3ccccc32)cc1 ZINC000001126673 555641033 /nfs/dbraw/zinc/64/10/33/555641033.db2.gz SLRJJYCIVPVVOW-UHFFFAOYSA-N 0 0 428.492 4.807 50 0 IJAARN Cc1ccccc1CN(c1ccc(C(=O)NCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000001129254 555643321 /nfs/dbraw/zinc/64/33/21/555643321.db2.gz BHALCHWSIMDZMM-UHFFFAOYSA-N 0 0 442.968 4.545 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000001136061 555647128 /nfs/dbraw/zinc/64/71/28/555647128.db2.gz VRYSAOTVXIKAOK-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000001136834 555647219 /nfs/dbraw/zinc/64/72/19/555647219.db2.gz VJOBUTHMNPMDOT-UHFFFAOYSA-N 0 0 430.961 4.590 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000001138854 555648335 /nfs/dbraw/zinc/64/83/35/555648335.db2.gz OGNBUDOGNJCCAM-FDDCHVKYSA-N 0 0 429.520 4.722 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1F ZINC000001140175 555649476 /nfs/dbraw/zinc/64/94/76/555649476.db2.gz BLFOHQQDNFUDBW-UHFFFAOYSA-N 0 0 444.553 4.523 50 0 IJAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2c(F)cc(F)cc2Br)c1 ZINC000001141433 555650298 /nfs/dbraw/zinc/65/02/98/555650298.db2.gz JVURITLNRJNXPO-UHFFFAOYSA-N 0 0 429.286 4.641 50 0 IJAARN O=C(Nc1nnc(SCc2cccc3ccccc32)s1)[C@H]1COc2ccccc2O1 ZINC000001142325 555650741 /nfs/dbraw/zinc/65/07/41/555650741.db2.gz YFYJYEWTBODQKC-LJQANCHMSA-N 0 0 435.530 4.762 50 0 IJAARN CC(C)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001144166 555652118 /nfs/dbraw/zinc/65/21/18/555652118.db2.gz VNCCZTJIWKRAKB-UHFFFAOYSA-N 0 0 426.513 4.783 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NCc1ccccc1 ZINC000001144135 555652129 /nfs/dbraw/zinc/65/21/29/555652129.db2.gz XWSKNNUAYSIQEB-UHFFFAOYSA-N 0 0 434.952 4.996 50 0 IJAARN CCOC(=O)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(F)(F)F)oc2c1C ZINC000001154048 555657871 /nfs/dbraw/zinc/65/78/71/555657871.db2.gz KZLMFMOHLPSPCH-UHFFFAOYSA-N 0 0 436.382 4.738 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1c(Cl)cccc1Cl ZINC000001156268 555658956 /nfs/dbraw/zinc/65/89/56/555658956.db2.gz UZRNSJAZXXUZKH-GOSISDBHSA-N 0 0 436.364 4.824 50 0 IJAARN CC(C)(C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001158082 555660163 /nfs/dbraw/zinc/66/01/63/555660163.db2.gz BUKLWRRCTQCVPP-DEOSSOPVSA-N 0 0 440.543 4.721 50 0 IJAARN NC(=O)c1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCC2 ZINC000001158609 555660481 /nfs/dbraw/zinc/66/04/81/555660481.db2.gz KALKRWNJCIFONH-UHFFFAOYSA-N 0 0 429.339 4.894 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000001165769 555663869 /nfs/dbraw/zinc/66/38/69/555663869.db2.gz MHXQUPJZGNZFDR-UHFFFAOYSA-N 0 0 441.380 4.956 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001166587 555664369 /nfs/dbraw/zinc/66/43/69/555664369.db2.gz DMCUFFIDLWTJCU-UHFFFAOYSA-N 0 0 436.577 4.750 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 ZINC000001167293 555664768 /nfs/dbraw/zinc/66/47/68/555664768.db2.gz IDAKZXSVUJVNHN-UHFFFAOYSA-N 0 0 435.505 4.850 50 0 IJAARN Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000001171110 555666803 /nfs/dbraw/zinc/66/68/03/555666803.db2.gz WOLAPAUPLUKUJI-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000001174009 555668671 /nfs/dbraw/zinc/66/86/71/555668671.db2.gz ORVYCTFIGRTZDT-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2C)cc1 ZINC000001176949 555669953 /nfs/dbraw/zinc/66/99/53/555669953.db2.gz FHUPWNZHNKLCCX-UHFFFAOYSA-N 0 0 435.954 4.590 50 0 IJAARN Cc1cccc(C)c1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000001179591 555671139 /nfs/dbraw/zinc/67/11/39/555671139.db2.gz DSKCIPRSDMCHPC-UHFFFAOYSA-N 0 0 444.725 4.688 50 0 IJAARN COC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001181839 555672248 /nfs/dbraw/zinc/67/22/48/555672248.db2.gz QJZCXBVTEQJXOT-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C)cc1 ZINC000001186303 555674309 /nfs/dbraw/zinc/67/43/09/555674309.db2.gz YRGKSSPPUAXRCU-UHFFFAOYSA-N 0 0 428.510 4.795 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2Br)NC(=S)N1 ZINC000001191389 555675827 /nfs/dbraw/zinc/67/58/27/555675827.db2.gz PJZSUVXENFOWJW-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(NC(=O)c2c(NC(=O)C(Cl)(Cl)Cl)sc3c2CCC3)cc1 ZINC000001204097 555679665 /nfs/dbraw/zinc/67/96/65/555679665.db2.gz YQWOUNYSLIISGB-UHFFFAOYSA-N 0 0 433.744 4.806 50 0 IJAARN COc1cc(C=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000001204799 555679974 /nfs/dbraw/zinc/67/99/74/555679974.db2.gz GQCJVGZWRMVTID-UHFFFAOYSA-N 0 0 437.060 4.998 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1Br ZINC000001206112 555680647 /nfs/dbraw/zinc/68/06/47/555680647.db2.gz ZCTKXFWATFLGCH-UHFFFAOYSA-N 0 0 441.260 4.583 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000001206092 555680657 /nfs/dbraw/zinc/68/06/57/555680657.db2.gz FFGMSBBCFANOKO-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl ZINC000001206816 555680954 /nfs/dbraw/zinc/68/09/54/555680954.db2.gz GSBWVRUIFLIJIJ-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN COc1cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC ZINC000001211324 555682270 /nfs/dbraw/zinc/68/22/70/555682270.db2.gz JHAKFKPKZQALQE-UHFFFAOYSA-N 0 0 434.448 4.787 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001215037 555683641 /nfs/dbraw/zinc/68/36/41/555683641.db2.gz LSMUFSNEUYKRBE-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000001217407 555684501 /nfs/dbraw/zinc/68/45/01/555684501.db2.gz AUVPZSUNRAMHSZ-UHFFFAOYSA-N 0 0 435.263 4.865 50 0 IJAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000001220213 555685402 /nfs/dbraw/zinc/68/54/02/555685402.db2.gz RJVQLNZDMQEKTD-XAIRMJBNSA-N 0 0 445.518 4.771 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(C)cc2C)c1 ZINC000001230850 555686577 /nfs/dbraw/zinc/68/65/77/555686577.db2.gz TZRTYDQJPHTMLC-UHFFFAOYSA-N 0 0 444.578 4.522 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1 ZINC000001252756 555687842 /nfs/dbraw/zinc/68/78/42/555687842.db2.gz FJQOKOVFMLSZNY-UHFFFAOYSA-N 0 0 446.532 4.630 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000001293907 555689090 /nfs/dbraw/zinc/68/90/90/555689090.db2.gz VJQAOZVEVXXFFJ-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889600 555725772 /nfs/dbraw/zinc/72/57/72/555725772.db2.gz MZPUCSTZULZHKM-GOSISDBHSA-N 0 0 443.956 4.657 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1cccc(F)c1)(Nc1ccc(C(C)C)cc1)C(F)(F)F ZINC000002050570 555729005 /nfs/dbraw/zinc/72/90/05/555729005.db2.gz QPBBTGZKDJNBTM-HXUWFJFHSA-N 0 0 426.410 4.613 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1cccs1 ZINC000002059630 555731476 /nfs/dbraw/zinc/73/14/76/555731476.db2.gz WMNIENXMSPAMIO-UHFFFAOYSA-N 0 0 444.534 4.808 50 0 IJAARN CC(C)COC(=O)CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062940 555732490 /nfs/dbraw/zinc/73/24/90/555732490.db2.gz NBIZDFQEVMBBQY-HDLCADABSA-N 0 0 445.559 4.638 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1 ZINC000002079188 555736961 /nfs/dbraw/zinc/73/69/61/555736961.db2.gz BDYDTHVESNRWOU-XMMPIXPASA-N 0 0 443.543 4.751 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CC[C@H](C)C2 ZINC000002092780 555741429 /nfs/dbraw/zinc/74/14/29/555741429.db2.gz APRROCUMRVKTDW-MRZGDXHCSA-N 0 0 427.522 4.820 50 0 IJAARN Nn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002181068 555753768 /nfs/dbraw/zinc/75/37/68/555753768.db2.gz TUGJOAVUVXOQGS-UHFFFAOYSA-N 0 0 447.585 4.693 50 0 IJAARN Cc1cc2nc3s/c(=C\c4cccc(OCc5ccccc5F)c4)c(=O)n3c2cc1C ZINC000002185551 555755296 /nfs/dbraw/zinc/75/52/96/555755296.db2.gz ISYWFTKAMPTQTD-QRVIBDJDSA-N 0 0 430.504 4.792 50 0 IJAARN COc1cc2c3c(c1)-c1c(sn(-c4cccc(F)c4)c1=S)C(C)(C)N3C(=O)C2=O ZINC000002234488 555760495 /nfs/dbraw/zinc/76/04/95/555760495.db2.gz RTAMVHIOKBORQZ-UHFFFAOYSA-N 0 0 426.494 4.861 50 0 IJAARN O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002253420 555762500 /nfs/dbraw/zinc/76/25/00/555762500.db2.gz AXALRVBOVHACMT-UHFFFAOYSA-N 0 0 431.769 4.643 50 0 IJAARN CC(C)NC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002287862 555765638 /nfs/dbraw/zinc/76/56/38/555765638.db2.gz IAENZIJVNOMJIH-PSASIEDQSA-N 0 0 437.285 4.506 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000002306013 555767169 /nfs/dbraw/zinc/76/71/69/555767169.db2.gz CZGONEIOUGLNMD-GOSISDBHSA-N 0 0 443.883 4.755 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000002387413 555774875 /nfs/dbraw/zinc/77/48/75/555774875.db2.gz NHWLDMBXYFUOOW-UHFFFAOYSA-N 0 0 433.537 4.583 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C(=O)Nc3cccc(C)c3)n2)cc(OC)c1OC ZINC000002416181 555777153 /nfs/dbraw/zinc/77/71/53/555777153.db2.gz JZIIANYPSYFGBB-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)cc1 ZINC000002432710 555778230 /nfs/dbraw/zinc/77/82/30/555778230.db2.gz APIRAOXZRGRDFB-HSZRJFAPSA-N 0 0 429.447 4.729 50 0 IJAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000002433667 555778664 /nfs/dbraw/zinc/77/86/64/555778664.db2.gz SLKZZXBDFNZNCU-UHFFFAOYSA-N 0 0 444.512 4.904 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccnc2)cc1 ZINC000002450806 555781511 /nfs/dbraw/zinc/78/15/11/555781511.db2.gz AUBWEPLSOIZJNO-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 ZINC000002451032 555781716 /nfs/dbraw/zinc/78/17/16/555781716.db2.gz FZBSXUBEGYNZHZ-UHFFFAOYSA-N 0 0 434.521 4.965 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002454007 555782576 /nfs/dbraw/zinc/78/25/76/555782576.db2.gz CTSBJABQQOTULN-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN ClC(Cl)(Cl)c1nc(-c2ccc3c(c2)OCO3)nc(C(Cl)(Cl)Cl)n1 ZINC000002525149 555785724 /nfs/dbraw/zinc/78/57/24/555785724.db2.gz BFQFFNWLTHFJOZ-UHFFFAOYSA-N 0 0 435.909 4.921 50 0 IJAARN Cc1ccc(N2CCN(Cc3cccc(C(=O)N(C)Cc4ccccc4)c3)CC2)cc1C ZINC000034668116 555792311 /nfs/dbraw/zinc/79/23/11/555792311.db2.gz NDMTYXDRJUSHAQ-UHFFFAOYSA-N 0 0 427.592 4.898 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCc1cccnc1 ZINC000034672376 555793706 /nfs/dbraw/zinc/79/37/06/555793706.db2.gz XSSXGOOVZBPOHR-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000034676392 555794331 /nfs/dbraw/zinc/79/43/31/555794331.db2.gz FCOVVDICQWPDJJ-KRWDZBQOSA-N 0 0 436.358 4.559 50 0 IJAARN CC1CCN(c2nc3c(c(N4CCC(C)CC4)n2)CN(C(=O)Nc2ccccc2)CC3)CC1 ZINC000034679138 555798491 /nfs/dbraw/zinc/79/84/91/555798491.db2.gz IWHQQJJUKQTGDY-UHFFFAOYSA-N 0 0 448.615 4.539 50 0 IJAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)cc1 ZINC000034679718 555799066 /nfs/dbraw/zinc/79/90/66/555799066.db2.gz WWXFLSGXISZVSX-UHFFFAOYSA-N 0 0 430.523 4.970 50 0 IJAARN CCOCN(C(=O)CSc1nc2cc(OCC)ccc2[nH]1)c1c(C)cccc1CC ZINC000002689292 555799101 /nfs/dbraw/zinc/79/91/01/555799101.db2.gz RMPUBUALMYUVOF-UHFFFAOYSA-N 0 0 427.570 4.952 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CSc2ccccc2)o1 ZINC000002708448 555801084 /nfs/dbraw/zinc/80/10/84/555801084.db2.gz LHYYWVXXVAKPSP-UHFFFAOYSA-N 0 0 427.478 4.628 50 0 IJAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccccc1C ZINC000034693370 555806601 /nfs/dbraw/zinc/80/66/01/555806601.db2.gz MLGNBIMBLBZMPB-UHFFFAOYSA-N 0 0 428.536 4.519 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1nc(C)cc(C)n1)CCCC2 ZINC000002746284 555808885 /nfs/dbraw/zinc/80/88/85/555808885.db2.gz ARGHGYMQUYXTBC-OAHLLOKOSA-N 0 0 433.599 4.720 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1c(F)c(F)c(F)c(F)c1F ZINC000002769058 555814604 /nfs/dbraw/zinc/81/46/04/555814604.db2.gz RWKAOFKBCWODED-UHFFFAOYSA-N 0 0 425.400 4.578 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccoc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034684009 555819411 /nfs/dbraw/zinc/81/94/11/555819411.db2.gz FEJWYLQHCGZSKN-UHFFFAOYSA-N 0 0 446.519 4.726 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684593 555820133 /nfs/dbraw/zinc/82/01/33/555820133.db2.gz CGZQBXOONWCXSG-UHFFFAOYSA-N 0 0 437.946 4.731 50 0 IJAARN CCc1ccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)CN(C(=O)C3CCCC3)C2)cc1 ZINC000034709967 555824096 /nfs/dbraw/zinc/82/40/96/555824096.db2.gz STUUILUCVDKWKU-ZEQRLZLVSA-N 0 0 436.571 4.827 50 0 IJAARN COc1ccc(-c2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)cc1Cl ZINC000002816862 555828816 /nfs/dbraw/zinc/82/88/16/555828816.db2.gz BQYFXOIDYNITFW-NHDPSOOVSA-N 0 0 436.920 4.996 50 0 IJAARN COc1ccccc1N[C@@H](CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(C)c(C)c1 ZINC000002818533 555829422 /nfs/dbraw/zinc/82/94/22/555829422.db2.gz LXUJDADLQDAZRI-QHCPKHFHSA-N 0 0 445.515 4.792 50 0 IJAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 ZINC000002827747 555831410 /nfs/dbraw/zinc/83/14/10/555831410.db2.gz SDKZDUMFQMXXLI-LBPRGKRZSA-N 0 0 438.334 4.932 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)N1CCCCCC1 ZINC000002832643 555832019 /nfs/dbraw/zinc/83/20/19/555832019.db2.gz HOMZNWKHRFOTDB-UHFFFAOYSA-N 0 0 431.252 4.551 50 0 IJAARN CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002840706 555835277 /nfs/dbraw/zinc/83/52/77/555835277.db2.gz MNPOZSILFYJQDQ-UHFFFAOYSA-N 0 0 426.694 4.640 50 0 IJAARN CCC(=O)Nc1cc(C(=O)OCc2ccc(S(=O)(=O)c3ccccc3)cc2)ccc1C ZINC000002845112 555837341 /nfs/dbraw/zinc/83/73/41/555837341.db2.gz AQPQBCUZJMLMCZ-UHFFFAOYSA-N 0 0 437.517 4.533 50 0 IJAARN O=C(CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1nccs1 ZINC000002846896 555837985 /nfs/dbraw/zinc/83/79/85/555837985.db2.gz DYUVMASTQFZABP-UHFFFAOYSA-N 0 0 435.538 4.546 50 0 IJAARN COc1cc(NC(=S)Nc2ccc(Br)cc2Cl)cc(OC)c1OC ZINC000002853023 555840145 /nfs/dbraw/zinc/84/01/45/555840145.db2.gz RZFNEFLOFDMBBX-UHFFFAOYSA-N 0 0 431.739 4.937 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000002856130 555841619 /nfs/dbraw/zinc/84/16/19/555841619.db2.gz HWXMNDLCWSBQMN-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN CCOC(=O)c1c(NC(=S)N[C@H](C)c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000002858780 555843262 /nfs/dbraw/zinc/84/32/62/555843262.db2.gz UGLNRSBERQPRSV-CYBMUJFWSA-N 0 0 446.594 4.970 50 0 IJAARN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Br)cc1 ZINC000002861009 555844512 /nfs/dbraw/zinc/84/45/12/555844512.db2.gz NQGHKAHKEBRIPK-UHFFFAOYSA-N 0 0 445.386 4.591 50 0 IJAARN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)cc1 ZINC000002875296 555851943 /nfs/dbraw/zinc/85/19/43/555851943.db2.gz WCVJBRBUSZILPP-UHFFFAOYSA-N 0 0 440.590 4.935 50 0 IJAARN CN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002876822 555852540 /nfs/dbraw/zinc/85/25/40/555852540.db2.gz CCUJCGYXJFFDFK-UHFFFAOYSA-N 0 0 436.867 4.696 50 0 IJAARN CSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000002882706 555856287 /nfs/dbraw/zinc/85/62/87/555856287.db2.gz GSSZMNRVNHVZPZ-OJXHRBAXSA-N 0 0 427.327 4.867 50 0 IJAARN COc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000002884211 555856885 /nfs/dbraw/zinc/85/68/85/555856885.db2.gz LWUMBOBNZFOHGE-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN CCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1ccccc1OC ZINC000002884992 555857548 /nfs/dbraw/zinc/85/75/48/555857548.db2.gz VMJFVAGCHBSYSW-UHFFFAOYSA-N 0 0 446.573 4.610 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2O)c(C)c1 ZINC000002885241 555857848 /nfs/dbraw/zinc/85/78/48/555857848.db2.gz CKGDQQFAGPYZLD-UHFFFAOYSA-N 0 0 444.560 4.665 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2C)c1 ZINC000002886388 555858107 /nfs/dbraw/zinc/85/81/07/555858107.db2.gz KAGSXYWEEVSCQZ-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN Cc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002886242 555858128 /nfs/dbraw/zinc/85/81/28/555858128.db2.gz OUROXCOIJXRXRL-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(OC)cc3OC)cs2)cc1OC ZINC000034717343 555867639 /nfs/dbraw/zinc/86/76/39/555867639.db2.gz SDYVCZYDDBORAN-UHFFFAOYSA-N 0 0 428.510 4.877 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000002978477 555870616 /nfs/dbraw/zinc/87/06/16/555870616.db2.gz IGHPLSHFIKEEKF-UHFFFAOYSA-N 0 0 430.614 4.680 50 0 IJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(F)c1 ZINC000002982094 555872527 /nfs/dbraw/zinc/87/25/27/555872527.db2.gz BGMWOYHOMRHORQ-UHFFFAOYSA-N 0 0 427.888 4.858 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCOc1ccccc1 ZINC000002989627 555874888 /nfs/dbraw/zinc/87/48/88/555874888.db2.gz GRHVZWGHYAXFTR-UHFFFAOYSA-N 0 0 434.492 4.754 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1ccccc1C(F)(F)F ZINC000002999234 555877324 /nfs/dbraw/zinc/87/73/24/555877324.db2.gz YQPRWXRTUOIHNQ-UHFFFAOYSA-N 0 0 438.456 4.540 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(Br)c2ccccc21 ZINC000003018773 555881178 /nfs/dbraw/zinc/88/11/78/555881178.db2.gz UYPPQVXIBQXKQU-CAZKKTPXSA-N 0 0 430.301 4.590 50 0 IJAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)NCc4ccccc4)c3)C2=O)c1 ZINC000034737203 555888292 /nfs/dbraw/zinc/88/82/92/555888292.db2.gz XINIIYPBODUHKL-UHFFFAOYSA-N 0 0 444.535 4.849 50 0 IJAARN O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000003119138 555888801 /nfs/dbraw/zinc/88/88/01/555888801.db2.gz XESRTNGNLLVYTC-UHFFFAOYSA-N 0 0 449.358 4.655 50 0 IJAARN COc1cc(CN2CCc3nc(N4CCCCC4)nc(Oc4ccccc4)c3C2)ccc1O ZINC000034755980 555901058 /nfs/dbraw/zinc/90/10/58/555901058.db2.gz DDSHRBNVKFFNCZ-UHFFFAOYSA-N 0 0 446.551 4.532 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000034814304 555911009 /nfs/dbraw/zinc/91/10/09/555911009.db2.gz OBFMFPKIDTYPAS-UHFFFAOYSA-N 0 0 434.540 4.539 50 0 IJAARN CCOc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916876 555930601 /nfs/dbraw/zinc/93/06/01/555930601.db2.gz CIXBHFFPUHSFBU-RDGATRHJSA-N 0 0 428.532 4.538 50 0 IJAARN Cc1cccc([C@H]2[C@@H](C(=O)NCCc3cccs3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924178 555932982 /nfs/dbraw/zinc/93/29/82/555932982.db2.gz ZPPFZUNMZIKKNW-ZEQRLZLVSA-N 0 0 430.573 4.859 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2nc(C)c(Cc3ccc(Cl)cc3)c(C)n2n1 ZINC000003638096 555942523 /nfs/dbraw/zinc/94/25/23/555942523.db2.gz OAOSLLJFDIFMHO-UHFFFAOYSA-N 0 0 446.020 4.726 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000003656010 555944313 /nfs/dbraw/zinc/94/43/13/555944313.db2.gz LCSVPDOEVJOOAD-HSZRJFAPSA-N 0 0 427.456 4.643 50 0 IJAARN Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)n2)cc1 ZINC000004111658 555963472 /nfs/dbraw/zinc/96/34/72/555963472.db2.gz ORIBZVGOESSEQS-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN CC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000004173399 555972557 /nfs/dbraw/zinc/97/25/57/555972557.db2.gz FABGEGAGWQSJKM-VCTAVGKDSA-N 0 0 445.283 4.834 50 0 IJAARN CC(C)NC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004177776 555973802 /nfs/dbraw/zinc/97/38/02/555973802.db2.gz IAENZIJVNOMJIH-SCZZXKLOSA-N 0 0 437.285 4.506 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000004671406 556005971 /nfs/dbraw/zinc/00/59/71/556005971.db2.gz XZCITKUFCNLBIO-CNBHCMJISA-N 0 0 426.022 4.852 50 0 IJAARN CCOC(=O)c1sc(/[S@@](C)=N/S(=O)(=O)c2ccccc2Cl)c2c1CCC=C2 ZINC000006159982 556078856 /nfs/dbraw/zinc/07/88/56/556078856.db2.gz JFVDKJPDYVYRJY-SANMLTNESA-N 0 0 443.999 4.717 50 0 IJAARN Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O ZINC000006177556 556079510 /nfs/dbraw/zinc/07/95/10/556079510.db2.gz BSFXHEDVIBMBTQ-UHFFFAOYSA-N 0 0 447.926 4.997 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000002428454 556095265 /nfs/dbraw/zinc/09/52/65/556095265.db2.gz KOLBKDJSVMTJHZ-HSZRJFAPSA-N 0 0 435.520 4.779 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000002440947 556099982 /nfs/dbraw/zinc/09/99/82/556099982.db2.gz MASHGOOAGCBXJO-DJJJIMSYSA-N 0 0 448.277 4.963 50 0 IJAARN COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc4ccccc4o3)nc21 ZINC000010587833 556116627 /nfs/dbraw/zinc/11/66/27/556116627.db2.gz ZSFJEMZKJKKHQT-OAHLLOKOSA-N 0 0 438.505 4.886 50 0 IJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1 ZINC000002691641 556119970 /nfs/dbraw/zinc/11/99/70/556119970.db2.gz PKMWQMSAGNEZLQ-UHFFFAOYSA-N 0 0 443.499 4.615 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccc(Cl)cc2)cc1S(=O)(=O)c1ccc(F)cc1 ZINC000002692030 556120209 /nfs/dbraw/zinc/12/02/09/556120209.db2.gz OCZHVELJXKDJBJ-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002703995 556123268 /nfs/dbraw/zinc/12/32/68/556123268.db2.gz XAUNASNMQONHLX-QHCPKHFHSA-N 0 0 445.446 4.782 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704576 556123879 /nfs/dbraw/zinc/12/38/79/556123879.db2.gz JUBGXCAXRSGTSG-QHCPKHFHSA-N 0 0 427.456 4.561 50 0 IJAARN CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002722907 556128434 /nfs/dbraw/zinc/12/84/34/556128434.db2.gz LTPADVPULKMICK-QMHKHESXSA-N 0 0 427.570 4.621 50 0 IJAARN Cc1ccccc1CN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O ZINC000002716582 556131309 /nfs/dbraw/zinc/13/13/09/556131309.db2.gz CHPWUGJTWYDRAP-UHFFFAOYSA-N 0 0 440.543 4.552 50 0 IJAARN CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(CC)cc1 ZINC000002719014 556131622 /nfs/dbraw/zinc/13/16/22/556131622.db2.gz IOGWFLUQTHDZIV-QFIPXVFZSA-N 0 0 442.625 4.919 50 0 IJAARN C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002724496 556133339 /nfs/dbraw/zinc/13/33/39/556133339.db2.gz QBDQRZGAMKCHEZ-IQMFZBJNSA-N 0 0 438.886 4.817 50 0 IJAARN CCOc1ccc2nc(NC(=O)NC3(C(F)(F)F)Oc4ccccc4O3)sc2c1 ZINC000002725279 556133611 /nfs/dbraw/zinc/13/36/11/556133611.db2.gz JFMIHVZOFHTGFC-UHFFFAOYSA-N 0 0 425.388 4.504 50 0 IJAARN COc1ccc(CC(=O)Nc2c(C)nn(Cc3cccc4ccccc43)c2C)cc1OC ZINC000002764287 556135981 /nfs/dbraw/zinc/13/59/81/556135981.db2.gz DTGFPKSOXYXHNK-UHFFFAOYSA-N 0 0 429.520 4.900 50 0 IJAARN CCCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000002751732 556136961 /nfs/dbraw/zinc/13/69/61/556136961.db2.gz QCCGVVDZKJCISV-AWEZNQCLSA-N 0 0 431.554 4.638 50 0 IJAARN CC[C@H]1CCc2c(sc3ncn4nc(-c5ccc(Cn6nc(C)cc6C)o5)nc4c23)C1 ZINC000002789956 556139348 /nfs/dbraw/zinc/13/93/48/556139348.db2.gz MAMYBQVQLITYNL-HNNXBMFYSA-N 0 0 432.553 4.976 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCCCC2 ZINC000002767225 556139612 /nfs/dbraw/zinc/13/96/12/556139612.db2.gz DRUBKHVRHXMOKM-UHFFFAOYSA-N 0 0 425.506 4.943 50 0 IJAARN O=C(NC1C2CC3CC(C2)CC1C3)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002778411 556141105 /nfs/dbraw/zinc/14/11/05/556141105.db2.gz KJMMIASPXICROU-UHFFFAOYSA-N 0 0 430.430 4.563 50 0 IJAARN O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000002805268 556143221 /nfs/dbraw/zinc/14/32/21/556143221.db2.gz AQHOIKUYGBRDKM-UHFFFAOYSA-N 0 0 440.281 4.888 50 0 IJAARN CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000008395873 556163029 /nfs/dbraw/zinc/16/30/29/556163029.db2.gz KBPWMOVVYAOBIH-YVLHZVERSA-N 0 0 434.920 4.534 50 0 IJAARN Cc1ccc(OCCCOc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000008426258 556168879 /nfs/dbraw/zinc/16/88/79/556168879.db2.gz ZTRIMUHKUARGBY-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCC(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000008432847 556172142 /nfs/dbraw/zinc/17/21/42/556172142.db2.gz CEVXNXJGTYHRCT-SHTUXQJQSA-N 0 0 435.351 4.522 50 0 IJAARN CC1=NC(=S)N[C@@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000008433410 556172723 /nfs/dbraw/zinc/17/27/23/556172723.db2.gz MTAUSXGYJQPZEV-DEOSSOPVSA-N 0 0 444.556 4.802 50 0 IJAARN Cc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000008438945 556174848 /nfs/dbraw/zinc/17/48/48/556174848.db2.gz MVEXTFKMNMAEDZ-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN COc1ccc(Cl)c2c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)nc3[nH]c21 ZINC000008446230 556180176 /nfs/dbraw/zinc/18/01/76/556180176.db2.gz URWPKHPECGVEHE-UHFFFAOYSA-N 0 0 427.917 4.516 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O ZINC000008450574 556181633 /nfs/dbraw/zinc/18/16/33/556181633.db2.gz LYYPYYFGEXHAKV-XSFVSMFZSA-N 0 0 431.517 4.769 50 0 IJAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000008451289 556181860 /nfs/dbraw/zinc/18/18/60/556181860.db2.gz MGLXXPNFTJFQDE-CAOOACKPSA-N 0 0 447.310 4.592 50 0 IJAARN COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc(OC)c1OC ZINC000008452519 556182759 /nfs/dbraw/zinc/18/27/59/556182759.db2.gz AHUAJOMXLLEHEG-UHFFFAOYSA-N 0 0 434.492 4.834 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000008613916 556192210 /nfs/dbraw/zinc/19/22/10/556192210.db2.gz KWYIRIDJNLUGTO-SFHVURJKSA-N 0 0 431.536 4.614 50 0 IJAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1cccc(C(F)(F)F)c1 ZINC000008640480 556195373 /nfs/dbraw/zinc/19/53/73/556195373.db2.gz WHANXXZJIRACNK-UHFFFAOYSA-N 0 0 439.484 4.613 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1C ZINC000008666886 556197923 /nfs/dbraw/zinc/19/79/23/556197923.db2.gz CQJONPYCQJWGPO-IWIPYMOSSA-N 0 0 443.572 4.976 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000008690964 556200555 /nfs/dbraw/zinc/20/05/55/556200555.db2.gz XLEHMRMUGHKKKQ-KRWDZBQOSA-N 0 0 449.503 4.797 50 0 IJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008745782 556209490 /nfs/dbraw/zinc/20/94/90/556209490.db2.gz KYAMXPHJSRIOGI-UHFFFAOYSA-N 0 0 440.547 4.786 50 0 IJAARN CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cccc(OC)c2o1 ZINC000008884964 556230649 /nfs/dbraw/zinc/23/06/49/556230649.db2.gz KINPVPDHPBZYIY-CYBMUJFWSA-N 0 0 447.520 4.810 50 0 IJAARN COc1ccc(/C=C2\N=C(S[C@@H](C)C(C)=O)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000008883022 556230721 /nfs/dbraw/zinc/23/07/21/556230721.db2.gz WCZCBHBWHQMEJF-KVMVOAJRSA-N 0 0 444.940 4.812 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000008896009 556230976 /nfs/dbraw/zinc/23/09/76/556230976.db2.gz UBEPFNJEARGBCF-FVFHPELPSA-N 0 0 432.564 4.641 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1Br ZINC000008952324 556236175 /nfs/dbraw/zinc/23/61/75/556236175.db2.gz CFSNJHCBZOSHNY-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1NC(=O)c1cccs1 ZINC000009010433 556240949 /nfs/dbraw/zinc/24/09/49/556240949.db2.gz QWNZNPIWVWSGDO-UHFFFAOYSA-N 0 0 430.913 4.988 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000009085898 556245508 /nfs/dbraw/zinc/24/55/08/556245508.db2.gz LZDMZYNUJSSQGG-FNZWTVRRSA-N 0 0 446.503 4.963 50 0 IJAARN CCC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)c(C)c2)c1 ZINC000009095036 556246484 /nfs/dbraw/zinc/24/64/84/556246484.db2.gz ZHGDMXGUZSUNJY-UHFFFAOYSA-N 0 0 432.476 4.580 50 0 IJAARN COc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1OC(C)=O ZINC000009158924 556249789 /nfs/dbraw/zinc/24/97/89/556249789.db2.gz INUGVCRVGDCGHW-FYWRMAATSA-N 0 0 427.460 4.744 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197094 556255168 /nfs/dbraw/zinc/25/51/68/556255168.db2.gz PNTXWNUXXXUDNC-WOJBJXKFSA-N 0 0 441.988 4.763 50 0 IJAARN CCCCOC(=O)[C@H](CCCC)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000009202467 556257714 /nfs/dbraw/zinc/25/77/14/556257714.db2.gz OQPAMSKMUVBUBD-YEVRIAJKSA-N 0 0 445.559 4.781 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225742 556259751 /nfs/dbraw/zinc/25/97/51/556259751.db2.gz DICZTTVXQVZYQB-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225773 556259833 /nfs/dbraw/zinc/25/98/33/556259833.db2.gz SEGJENHKZZHTMI-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000009232068 556261312 /nfs/dbraw/zinc/26/13/12/556261312.db2.gz QPQWKFRPOXJQTF-WOJBJXKFSA-N 0 0 434.609 4.934 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000009234713 556263119 /nfs/dbraw/zinc/26/31/19/556263119.db2.gz LZDMZYNUJSSQGG-RXFWQSSRSA-N 0 0 446.503 4.963 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009239588 556266104 /nfs/dbraw/zinc/26/61/04/556266104.db2.gz DTMMJUMCBYNLAO-FGZHOGPDSA-N 0 0 435.597 4.808 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 ZINC000009260917 556268636 /nfs/dbraw/zinc/26/86/36/556268636.db2.gz ASJZNKZNABXZGR-RXVVDRJESA-N 0 0 436.581 4.633 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009288284 556272676 /nfs/dbraw/zinc/27/26/76/556272676.db2.gz YTLPGVJYAQJOAK-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2OC)cc1 ZINC000009288285 556272728 /nfs/dbraw/zinc/27/27/28/556272728.db2.gz LOGUFNLWRUEBAY-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009294972 556274306 /nfs/dbraw/zinc/27/43/06/556274306.db2.gz FUQOUMUBGSTDII-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)N(C)C1=S ZINC000009296071 556275254 /nfs/dbraw/zinc/27/52/54/556275254.db2.gz OROLCVJLIGXMTP-SXGWCWSVSA-N 0 0 425.312 4.741 50 0 IJAARN COc1ccc(NC(=O)C23CC4CC(C2)CC(C(=O)Nc2ccc(OC)cc2)(C4)C3)cc1 ZINC000009374600 556286708 /nfs/dbraw/zinc/28/67/08/556286708.db2.gz GGGAYAKNRQEVBU-UHFFFAOYSA-N 0 0 434.536 4.868 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000009435828 556291815 /nfs/dbraw/zinc/29/18/15/556291815.db2.gz RHFRBUNEFCHCGM-WOJBJXKFSA-N 0 0 444.432 4.881 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)COCc1cc(-c2ccco2)on1 ZINC000009436464 556291909 /nfs/dbraw/zinc/29/19/09/556291909.db2.gz ZLHIFLRXQPKAKQ-UHFFFAOYSA-N 0 0 440.887 4.605 50 0 IJAARN O=C(C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1cccc(C(F)(F)F)c1 ZINC000013727272 556293553 /nfs/dbraw/zinc/29/35/53/556293553.db2.gz MLOWCIDQMCJIQR-HNNXBMFYSA-N 0 0 447.442 4.761 50 0 IJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCCSc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000009489466 556294757 /nfs/dbraw/zinc/29/47/57/556294757.db2.gz QSFFODFXUOIGOZ-UHFFFAOYSA-N 0 0 432.480 4.542 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000009559841 556298609 /nfs/dbraw/zinc/29/86/09/556298609.db2.gz ZAMPAJVCRKPREQ-KRWDZBQOSA-N 0 0 433.504 4.712 50 0 IJAARN Cc1ccc(SCCNC(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)cc1 ZINC000032739560 556300022 /nfs/dbraw/zinc/30/00/22/556300022.db2.gz AQRMOVDUXNPMHV-QGZVFWFLSA-N 0 0 427.595 4.725 50 0 IJAARN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC ZINC000013770311 556304884 /nfs/dbraw/zinc/30/48/84/556304884.db2.gz AFWDDKDQDXUDBS-QHCPKHFHSA-N 0 0 445.471 4.765 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4F)cc3)CC2)cc1 ZINC000009668735 556305173 /nfs/dbraw/zinc/30/51/73/556305173.db2.gz SWRQIBSFJICDIE-UHFFFAOYSA-N 0 0 431.511 4.603 50 0 IJAARN O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)C(F)(F)F ZINC000009720829 556307564 /nfs/dbraw/zinc/30/75/64/556307564.db2.gz SOUSYNBDHNBOIJ-UHFFFAOYSA-N 0 0 426.350 4.780 50 0 IJAARN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]2CSCN21 ZINC000013814228 556313781 /nfs/dbraw/zinc/31/37/81/556313781.db2.gz BJMYFYDEORNQRJ-IPVQETTRSA-N 0 0 440.568 4.814 50 0 IJAARN C[C@](Cc1nc2ccccc2s1)(C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000032747507 556316195 /nfs/dbraw/zinc/31/61/95/556316195.db2.gz DBRSJJSREHPCJF-AFMDSPMNSA-N 0 0 444.556 4.753 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 ZINC000009933939 556317287 /nfs/dbraw/zinc/31/72/87/556317287.db2.gz DSTMOICQSLDILI-JOCHJYFZSA-N 0 0 435.524 4.502 50 0 IJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Cl)cc2)c1 ZINC000013839748 556317893 /nfs/dbraw/zinc/31/78/93/556317893.db2.gz WGHWVAYTKNMUTG-UHFFFAOYSA-N 0 0 440.352 4.624 50 0 IJAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C(=O)Nc2ccco2)c1 ZINC000013843215 556318128 /nfs/dbraw/zinc/31/81/28/556318128.db2.gz VTQHVWMSXVFBIC-JXMROGBWSA-N 0 0 441.281 4.955 50 0 IJAARN CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000032753616 556322807 /nfs/dbraw/zinc/32/28/07/556322807.db2.gz OETSBLQRRKULDO-FQEVSTJZSA-N 0 0 445.441 4.542 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000010058920 556323834 /nfs/dbraw/zinc/32/38/34/556323834.db2.gz WDLAMTOGPGTAIY-QHCPKHFHSA-N 0 0 432.545 4.631 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(OC)cc2)cc1 ZINC000010060195 556324331 /nfs/dbraw/zinc/32/43/31/556324331.db2.gz HVBVCNBUBBASAC-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000013881137 556326258 /nfs/dbraw/zinc/32/62/58/556326258.db2.gz XUITXMXROXLZMN-UHFFFAOYSA-N 0 0 448.466 4.535 50 0 IJAARN COc1ccc(Br)cc1CN1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013893259 556327526 /nfs/dbraw/zinc/32/75/26/556327526.db2.gz YFALUSITGNGNAA-UHFFFAOYSA-N 0 0 439.353 4.569 50 0 IJAARN COc1ccccc1N(Cc1cc(-c2ccccc2)on1)S(=O)(=O)c1ccc(F)cc1 ZINC000032764995 556332469 /nfs/dbraw/zinc/33/24/69/556332469.db2.gz QJDJVIZREXSRNW-UHFFFAOYSA-N 0 0 438.480 4.885 50 0 IJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000011666320 556346117 /nfs/dbraw/zinc/34/61/17/556346117.db2.gz ZIWFHSNQKVJELT-INIZCTEOSA-N 0 0 437.446 4.643 50 0 IJAARN CCCCN(Cc1ccccc1)C(=O)CC[C@]1(Cc2ccc(OC)cc2F)CCC(=O)N1 ZINC000011783341 556351798 /nfs/dbraw/zinc/35/17/98/556351798.db2.gz FHPVXFZCSREOAZ-SANMLTNESA-N 0 0 440.559 4.635 50 0 IJAARN CC(C)Cn1c(CNC(=O)/C=C/c2cccs2)nnc1SCc1ccccc1F ZINC000011814263 556357475 /nfs/dbraw/zinc/35/74/75/556357475.db2.gz UDJGEUUTIZUWEM-MDZDMXLPSA-N 0 0 430.574 4.757 50 0 IJAARN CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)[nH]n1 ZINC000011817586 556360145 /nfs/dbraw/zinc/36/01/45/556360145.db2.gz ORWZITXVNSSBCI-UHFFFAOYSA-N 0 0 440.979 4.548 50 0 IJAARN O=C(CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl ZINC000032796815 556362497 /nfs/dbraw/zinc/36/24/97/556362497.db2.gz GFOGZYNGKJTSRT-UHFFFAOYSA-N 0 0 426.243 4.566 50 0 IJAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000011842563 556365754 /nfs/dbraw/zinc/36/57/54/556365754.db2.gz WQTVUWDMWJXVPJ-LJQANCHMSA-N 0 0 433.614 4.762 50 0 IJAARN CC(C)Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000011843601 556366745 /nfs/dbraw/zinc/36/67/45/556366745.db2.gz ZGBAVZIJMPESEV-UHFFFAOYSA-N 0 0 448.542 4.950 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 ZINC000032808867 556369576 /nfs/dbraw/zinc/36/95/76/556369576.db2.gz BOYIYBUYEJTCNX-UHFFFAOYSA-N 0 0 429.499 4.515 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014120381 556371891 /nfs/dbraw/zinc/37/18/91/556371891.db2.gz XSGAPSSEUPKBMY-CYBMUJFWSA-N 0 0 441.607 4.641 50 0 IJAARN CN(Cc1ccoc1)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000011912355 556375626 /nfs/dbraw/zinc/37/56/26/556375626.db2.gz QHBKWDGJYSLWOE-UHFFFAOYSA-N 0 0 425.945 4.833 50 0 IJAARN OCC1(CCCc2ccccc2)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000011934329 556377566 /nfs/dbraw/zinc/37/75/66/556377566.db2.gz SGCCERVFTUIYAO-UHFFFAOYSA-N 0 0 425.960 4.987 50 0 IJAARN CN(Cc1ccc(F)cc1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000011954998 556380722 /nfs/dbraw/zinc/38/07/22/556380722.db2.gz GLBNROJRDYLCCG-UHFFFAOYSA-N 0 0 427.907 4.923 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@H]3Cc4cccc(-c5ncccc5C)c4O3)cc2)n1 ZINC000011974510 556382939 /nfs/dbraw/zinc/38/29/39/556382939.db2.gz WVZCPXBGHZRHAW-HSZRJFAPSA-N 0 0 438.531 4.593 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)o1 ZINC000014186898 556386313 /nfs/dbraw/zinc/38/63/13/556386313.db2.gz NSQBYDVUUUQVAJ-UHFFFAOYSA-N 0 0 445.610 4.842 50 0 IJAARN CSCc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)o1 ZINC000012027018 556388191 /nfs/dbraw/zinc/38/81/91/556388191.db2.gz SKVPTTHGAUMYMS-MRXNPFEDSA-N 0 0 434.989 4.745 50 0 IJAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000032816601 556392773 /nfs/dbraw/zinc/39/27/73/556392773.db2.gz WUKLLOSYGGVHEK-IBGZPJMESA-N 0 0 428.532 4.672 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000012055985 556394205 /nfs/dbraw/zinc/39/42/05/556394205.db2.gz PSMWLDKRHLSLKV-SFHVURJKSA-N 0 0 425.479 4.702 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c(Br)c1 ZINC000032809950 556394784 /nfs/dbraw/zinc/39/47/84/556394784.db2.gz UEJBQAMGRNZWSA-UHFFFAOYSA-N 0 0 435.119 4.958 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000012062151 556395455 /nfs/dbraw/zinc/39/54/55/556395455.db2.gz KFTKVKLWDUZYNY-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014241943 556402400 /nfs/dbraw/zinc/40/24/00/556402400.db2.gz KKWQDTHONHSJAJ-GOSISDBHSA-N 0 0 447.608 4.637 50 0 IJAARN COc1ccc(CCNc2nc(-c3cc(OC)c(OC)c(OC)c3)cs2)cc1OC ZINC000014242724 556403213 /nfs/dbraw/zinc/40/32/13/556403213.db2.gz LRJILEDSLGUGRP-UHFFFAOYSA-N 0 0 430.526 4.508 50 0 IJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000032578828 556405753 /nfs/dbraw/zinc/40/57/53/556405753.db2.gz UCJUOWLLQWTFAG-UHFFFAOYSA-N 0 0 443.459 4.648 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1[C@@]1(c3ccccc3NC1=O)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000014246087 556406053 /nfs/dbraw/zinc/40/60/53/556406053.db2.gz HECWYAKGACOJON-HSZRJFAPSA-N 0 0 448.313 4.939 50 0 IJAARN O=C(Cn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21)c1ccc(Cl)cc1 ZINC000032597595 556407996 /nfs/dbraw/zinc/40/79/96/556407996.db2.gz IDPAFACLHAHOLN-UGSOOPFHSA-N 0 0 429.950 4.692 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3OC)n2)cc1 ZINC000032622964 556410256 /nfs/dbraw/zinc/41/02/56/556410256.db2.gz DKPJNBPFJVTTGE-MRXNPFEDSA-N 0 0 445.475 4.827 50 0 IJAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623192 556410453 /nfs/dbraw/zinc/41/04/53/556410453.db2.gz YFDXXEQFBGIKTH-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623190 556410496 /nfs/dbraw/zinc/41/04/96/556410496.db2.gz YFDXXEQFBGIKTH-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN Cc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2NC(=O)c2ccco2)cc1 ZINC000032624624 556411478 /nfs/dbraw/zinc/41/14/78/556411478.db2.gz RPJVJEMLONPHNY-UHFFFAOYSA-N 0 0 433.489 4.981 50 0 IJAARN COc1cccc(CN(C)Cc2csc(N(C(C)=O)c3ccccc3F)n2)c1OC ZINC000032819966 556412260 /nfs/dbraw/zinc/41/22/60/556412260.db2.gz KHEWIVJMLICVTC-UHFFFAOYSA-N 0 0 429.517 4.616 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)c12 ZINC000032648571 556413534 /nfs/dbraw/zinc/41/35/34/556413534.db2.gz MRSPJERXSLRCKW-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CN3C(=O)c4cccc5cccc(c54)C3=O)c2)cs1 ZINC000032672000 556414498 /nfs/dbraw/zinc/41/44/98/556414498.db2.gz WQGJEHQOPKSOFE-UHFFFAOYSA-N 0 0 427.485 4.506 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032672095 556414860 /nfs/dbraw/zinc/41/48/60/556414860.db2.gz HOKCJZQCEZVDOQ-CYBMUJFWSA-N 0 0 442.547 4.923 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2)c1 ZINC000014427805 556415884 /nfs/dbraw/zinc/41/58/84/556415884.db2.gz HPWHEZSMTJAMSC-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012938912 556416446 /nfs/dbraw/zinc/41/64/46/556416446.db2.gz AYLXWCBJQNHUMM-UHFFFAOYSA-N 0 0 440.897 4.521 50 0 IJAARN CCCN(CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000032665042 556417095 /nfs/dbraw/zinc/41/70/95/556417095.db2.gz PUSDUOGFTWSTDT-INIZCTEOSA-N 0 0 442.610 4.928 50 0 IJAARN Cc1ccc2c(C)c(CCC(=O)OCc3cc(Cl)c4c(c3)OCCO4)c(=O)oc2c1 ZINC000032836915 556418544 /nfs/dbraw/zinc/41/85/44/556418544.db2.gz YNNGFWFFEOTOOW-UHFFFAOYSA-N 0 0 428.868 4.510 50 0 IJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NCCSc1ccc(Cl)cc1 ZINC000012972781 556419280 /nfs/dbraw/zinc/41/92/80/556419280.db2.gz RNBXPRMNDBFMCP-UHFFFAOYSA-N 0 0 445.013 4.799 50 0 IJAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973882 556419883 /nfs/dbraw/zinc/41/98/83/556419883.db2.gz NRKQHSTXTVRZCZ-IBGZPJMESA-N 0 0 438.549 4.936 50 0 IJAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012977725 556422776 /nfs/dbraw/zinc/42/27/76/556422776.db2.gz PKALPVLOHLVOQW-INIZCTEOSA-N 0 0 428.337 4.681 50 0 IJAARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cc12 ZINC000012979101 556423717 /nfs/dbraw/zinc/42/37/17/556423717.db2.gz PMILPNMLMUMTES-UHFFFAOYSA-N 0 0 426.586 4.698 50 0 IJAARN COc1ccc(-c2nc(NC(=O)c3cc(Br)c(O)c(OC)c3)sc2C)cc1 ZINC000012982099 556424816 /nfs/dbraw/zinc/42/48/16/556424816.db2.gz LQPGBZNGEZXUHS-UHFFFAOYSA-N 0 0 449.326 4.856 50 0 IJAARN O=S(=O)(c1ccccc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012982728 556425430 /nfs/dbraw/zinc/42/54/30/556425430.db2.gz TXZKGZSWFWMDOM-ZDUSSCGKSA-N 0 0 437.384 4.627 50 0 IJAARN COc1ccc(NC(=O)CN(C)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000012986328 556427110 /nfs/dbraw/zinc/42/71/10/556427110.db2.gz YNBCRUMHMKCHPQ-UHFFFAOYSA-N 0 0 446.370 4.652 50 0 IJAARN COc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000012986492 556427159 /nfs/dbraw/zinc/42/71/59/556427159.db2.gz FTOLWFGPVPMAJF-UHFFFAOYSA-N 0 0 425.941 4.946 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000012991447 556428728 /nfs/dbraw/zinc/42/87/28/556428728.db2.gz KIGMTGIISLJYDW-UHFFFAOYSA-N 0 0 433.291 4.973 50 0 IJAARN COc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)c(C)cc45)c(=O)c23)cc1 ZINC000012993714 556429750 /nfs/dbraw/zinc/42/97/50/556429750.db2.gz CXMIROSTHKAQMU-UHFFFAOYSA-N 0 0 444.512 4.905 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012996939 556431582 /nfs/dbraw/zinc/43/15/82/556431582.db2.gz UPITYLFKZGZBPJ-QGZVFWFLSA-N 0 0 439.530 4.594 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012996942 556431651 /nfs/dbraw/zinc/43/16/51/556431651.db2.gz UPITYLFKZGZBPJ-KRWDZBQOSA-N 0 0 439.530 4.594 50 0 IJAARN CC(=O)N(c1nc(COC(=O)c2ccc(N3CCCCC3=O)cc2)cs1)c1ccccc1 ZINC000027822237 556433724 /nfs/dbraw/zinc/43/37/24/556433724.db2.gz KOXXEIORMQQPBO-UHFFFAOYSA-N 0 0 449.532 4.702 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000013014547 556437034 /nfs/dbraw/zinc/43/70/34/556437034.db2.gz ASJJQNYUVZAKMS-UHFFFAOYSA-N 0 0 436.577 4.974 50 0 IJAARN C[C@@H](c1nnc(SCCCC(=O)c2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000032691323 556440296 /nfs/dbraw/zinc/44/02/96/556440296.db2.gz ANBONTRYBWMROQ-HNNXBMFYSA-N 0 0 430.524 4.923 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000027995390 556441023 /nfs/dbraw/zinc/44/10/23/556441023.db2.gz JPPNLFKXSWHGST-UHFFFAOYSA-N 0 0 438.480 4.958 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000032691643 556441272 /nfs/dbraw/zinc/44/12/72/556441272.db2.gz LJQJBCLPFCHGFQ-UHFFFAOYSA-N 0 0 449.507 4.573 50 0 IJAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(N2CCCCC2)cc1 ZINC000032957539 556443605 /nfs/dbraw/zinc/44/36/05/556443605.db2.gz UNOOSSGWLVGQMM-UHFFFAOYSA-N 0 0 443.547 4.624 50 0 IJAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCC(Cc3ccccc3)CC2)o1 ZINC000011027611 556444926 /nfs/dbraw/zinc/44/49/26/556444926.db2.gz BFBRIEAYSLXDJE-UHFFFAOYSA-N 0 0 428.536 4.735 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000032862893 556448032 /nfs/dbraw/zinc/44/80/32/556448032.db2.gz ZWMZJKHTMXBYDF-UHFFFAOYSA-N 0 0 441.660 4.968 50 0 IJAARN Cc1ccc(Oc2ccccc2NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000014818213 556448290 /nfs/dbraw/zinc/44/82/90/556448290.db2.gz BREHUGIKMAERPZ-UHFFFAOYSA-N 0 0 444.940 4.943 50 0 IJAARN COc1cc(C(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc(OC)c1OC ZINC000028291456 556450123 /nfs/dbraw/zinc/45/01/23/556450123.db2.gz KYKHRPDBYGELSK-UHFFFAOYSA-N 0 0 430.863 4.747 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(C)n1Cc1ccco1 ZINC000013059281 556450163 /nfs/dbraw/zinc/45/01/63/556450163.db2.gz WIVQVHFZWICXFZ-AWEZNQCLSA-N 0 0 435.549 4.525 50 0 IJAARN Cc1cnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)s1 ZINC000028293099 556451036 /nfs/dbraw/zinc/45/10/36/556451036.db2.gz WAVPODNAPJMSIY-UHFFFAOYSA-N 0 0 439.335 4.688 50 0 IJAARN O=C(NCc1ccccc1)c1nc(SCc2ccccc2F)ncc1Br ZINC000028403801 556453794 /nfs/dbraw/zinc/45/37/94/556453794.db2.gz KIINWNTXXNIBGX-UHFFFAOYSA-N 0 0 432.318 4.601 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F)c1ccccc1Cl ZINC000013074822 556455254 /nfs/dbraw/zinc/45/52/54/556455254.db2.gz CDQVGDKOBUVGLV-HSZRJFAPSA-N 0 0 449.913 4.618 50 0 IJAARN CC[C@@H](NC(=O)Nc1ccccc1OC)c1noc(-c2cccc(Br)c2)n1 ZINC000072275182 556455376 /nfs/dbraw/zinc/45/53/76/556455376.db2.gz HZPMAMPPQHHLNB-CQSZACIVSA-N 0 0 431.290 4.781 50 0 IJAARN COc1cc(C(=O)Oc2cccc(-c3nc4cc(F)ccc4n3C)c2)cc(OC)c1OC ZINC000072275620 556456343 /nfs/dbraw/zinc/45/63/43/556456343.db2.gz DMRGXBOMRPUZBK-UHFFFAOYSA-N 0 0 436.439 4.624 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCOc3ccccc3C)c2)c1 ZINC000013098970 556459341 /nfs/dbraw/zinc/45/93/41/556459341.db2.gz WDVJCNLFDQUKEY-UHFFFAOYSA-N 0 0 438.549 4.820 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C[C@H]1OC(=O)c3ccccc31)CC2 ZINC000013102452 556461369 /nfs/dbraw/zinc/46/13/69/556461369.db2.gz IQRHBJXJOPTYNK-NTKDMRAZSA-N 0 0 449.528 4.541 50 0 IJAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)s1 ZINC000014959497 556463453 /nfs/dbraw/zinc/46/34/53/556463453.db2.gz UDOAWDVNKBIQPW-MRXNPFEDSA-N 0 0 432.973 4.553 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959149 556464098 /nfs/dbraw/zinc/46/40/98/556464098.db2.gz JPDAECWDCFUOGO-UHFFFAOYSA-N 0 0 437.858 4.707 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)n(-c2ccccc2)n1 ZINC000013113079 556466137 /nfs/dbraw/zinc/46/61/37/556466137.db2.gz QQPYSKWMSGWYME-UHFFFAOYSA-N 0 0 436.585 4.704 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013114392 556466781 /nfs/dbraw/zinc/46/67/81/556466781.db2.gz YTYDCMGXYHOHSM-KRWDZBQOSA-N 0 0 431.533 4.584 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n[nH]2)cc1 ZINC000013115038 556467575 /nfs/dbraw/zinc/46/75/75/556467575.db2.gz GZPUVERRVFFLJU-CQSZACIVSA-N 0 0 437.594 4.956 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)c1 ZINC000013114847 556467583 /nfs/dbraw/zinc/46/75/83/556467583.db2.gz IATKSYSWFHKURM-UHFFFAOYSA-N 0 0 443.503 4.734 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000014979518 556470187 /nfs/dbraw/zinc/47/01/87/556470187.db2.gz OXVFMIOQVRREIK-VWLOTQADSA-N 0 0 436.577 4.644 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000013117777 556470767 /nfs/dbraw/zinc/47/07/67/556470767.db2.gz YKMSNNKYDJXLGP-UHFFFAOYSA-N 0 0 429.501 4.799 50 0 IJAARN O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255844 556470899 /nfs/dbraw/zinc/47/08/99/556470899.db2.gz GOQMDNLKMLKXOC-UHFFFAOYSA-N 0 0 427.957 4.892 50 0 IJAARN O=C(c1csc2c1CCCC2)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000029256839 556470913 /nfs/dbraw/zinc/47/09/13/556470913.db2.gz DWPMEBVMRRNBBN-UHFFFAOYSA-N 0 0 441.597 4.848 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)n1C[C@H]1CCCO1 ZINC000013119671 556471826 /nfs/dbraw/zinc/47/18/26/556471826.db2.gz QQOIZEWSOMNTEY-LJQANCHMSA-N 0 0 447.560 4.605 50 0 IJAARN Cc1ccccc1-n1c(CNC(=O)C2CCC2)nnc1SCc1ccccc1Cl ZINC000014986501 556472516 /nfs/dbraw/zinc/47/25/16/556472516.db2.gz MKIRSZCULYREEJ-UHFFFAOYSA-N 0 0 426.973 4.938 50 0 IJAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000072283611 556474290 /nfs/dbraw/zinc/47/42/90/556474290.db2.gz YHRGOCSBAOJMGX-UHFFFAOYSA-N 0 0 435.490 4.927 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013127667 556476427 /nfs/dbraw/zinc/47/64/27/556476427.db2.gz MQDOLISMGQJILF-NWDGAFQWSA-N 0 0 443.550 4.771 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3F)[C@@H]2c2ccccc2)cc1 ZINC000013128213 556477547 /nfs/dbraw/zinc/47/75/47/556477547.db2.gz ANWIAVXAQPMCTN-RDGATRHJSA-N 0 0 432.495 4.635 50 0 IJAARN CSc1nnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1-c1ccc(F)cc1 ZINC000015001708 556480024 /nfs/dbraw/zinc/48/00/24/556480024.db2.gz KPAWCTQRBAFLAU-UHFFFAOYSA-N 0 0 432.524 4.577 50 0 IJAARN CC(C)(C)c1ccc(C(=O)O[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013131796 556480674 /nfs/dbraw/zinc/48/06/74/556480674.db2.gz CRXUTYKGPPFVNY-ZEQRLZLVSA-N 0 0 449.572 4.785 50 0 IJAARN O=c1c(=O)n(Cc2ccccc2)c2ccc(Cl)cc2n1Cc1ncc(-c2ccccc2)o1 ZINC000013131759 556480733 /nfs/dbraw/zinc/48/07/33/556480733.db2.gz BLWVCWOYGFVBLM-UHFFFAOYSA-N 0 0 443.890 4.568 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccc(F)c(F)c1 ZINC000013133991 556481748 /nfs/dbraw/zinc/48/17/48/556481748.db2.gz BRHBLARHSZLBKM-ZDUSSCGKSA-N 0 0 426.444 4.680 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 ZINC000029770219 556482255 /nfs/dbraw/zinc/48/22/55/556482255.db2.gz SURGRFGKXGKVNT-UHFFFAOYSA-N 0 0 439.585 4.716 50 0 IJAARN CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000029799936 556483063 /nfs/dbraw/zinc/48/30/63/556483063.db2.gz CAEBKAMEOLLPPB-UHFFFAOYSA-N 0 0 443.594 4.643 50 0 IJAARN COC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000013135020 556483143 /nfs/dbraw/zinc/48/31/43/556483143.db2.gz FXPANCPOLRNVHO-SJORKVTESA-N 0 0 447.560 4.876 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000013135144 556483351 /nfs/dbraw/zinc/48/33/51/556483351.db2.gz CBWMONOLUMVZCX-OAHLLOKOSA-N 0 0 429.505 4.676 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2c1C ZINC000015014611 556484468 /nfs/dbraw/zinc/48/44/68/556484468.db2.gz UILYHTXRAJTGJI-SNVBAGLBSA-N 0 0 425.938 4.654 50 0 IJAARN O=C(Oc1ccc(S(=O)(=O)c2ccc(OC(=O)C3CCCC3)cc2)cc1)C1CCCC1 ZINC000015013687 556484604 /nfs/dbraw/zinc/48/46/04/556484604.db2.gz PSUDKTVAMQNBDP-UHFFFAOYSA-N 0 0 442.533 4.711 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000030172919 556491043 /nfs/dbraw/zinc/49/10/43/556491043.db2.gz WRKGNGCWFDKIAR-QGZVFWFLSA-N 0 0 443.862 4.812 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000004555143 556493098 /nfs/dbraw/zinc/49/30/98/556493098.db2.gz YIZQBSMCDCJFPP-MUUNZHRXSA-N 0 0 425.528 4.881 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2c(c1)CCCC2 ZINC000013163617 556493962 /nfs/dbraw/zinc/49/39/62/556493962.db2.gz HNLGERZVHJPOPK-CQSZACIVSA-N 0 0 428.583 4.592 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1Cl ZINC000015071754 556496565 /nfs/dbraw/zinc/49/65/65/556496565.db2.gz OVTBFJUKKLAAFQ-KRWDZBQOSA-N 0 0 447.963 4.544 50 0 IJAARN COc1ccc(OCc2cc(C(=O)NCc3ccccc3C(F)(F)F)no2)c(Cl)c1 ZINC000015073520 556497755 /nfs/dbraw/zinc/49/77/55/556497755.db2.gz WHDFMRVHDSWCCJ-UHFFFAOYSA-N 0 0 440.805 4.864 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000013305310 556502014 /nfs/dbraw/zinc/50/20/14/556502014.db2.gz UCUOIDVQRGAIGW-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN FC(F)(F)c1nc2ccccc2c(SC[C@H]2CSc3nnc(-c4ccncc4)n32)n1 ZINC000030795310 556506086 /nfs/dbraw/zinc/50/60/86/556506086.db2.gz OYNIVJMRFHCROB-LBPRGKRZSA-N 0 0 446.483 4.741 50 0 IJAARN O=C(CN1CCN(c2nc3cc(Cl)ccc3s2)CC1)c1cc(-c2ccccc2)no1 ZINC000013465267 556506762 /nfs/dbraw/zinc/50/67/62/556506762.db2.gz HIEPPGFAVWANGP-UHFFFAOYSA-N 0 0 438.940 4.610 50 0 IJAARN c1[nH]nc2ccc(Nc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)cc12 ZINC000032717189 556508543 /nfs/dbraw/zinc/50/85/43/556508543.db2.gz VTNPCISPGIFCEM-UHFFFAOYSA-N 0 0 442.548 4.810 50 0 IJAARN COc1ccc(Cl)cc1CSCc1cc(=O)n2cc(Br)ccc2n1 ZINC000015232320 556512971 /nfs/dbraw/zinc/51/29/71/556512971.db2.gz BMJVRQLLTWAARO-UHFFFAOYSA-N 0 0 425.735 4.552 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011072111 556514318 /nfs/dbraw/zinc/51/43/18/556514318.db2.gz NSYZGLWVMCSCJZ-HSZRJFAPSA-N 0 0 435.955 4.892 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000032894993 556514311 /nfs/dbraw/zinc/51/43/11/556514311.db2.gz WAHKHLYYBOFAPY-LJQANCHMSA-N 0 0 434.561 4.877 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000013548617 556514709 /nfs/dbraw/zinc/51/47/09/556514709.db2.gz SFKBXQJNPAPIKF-PGQWDYDZSA-N 0 0 427.328 4.752 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccccc1 ZINC000072294896 556517603 /nfs/dbraw/zinc/51/76/03/556517603.db2.gz YYJLYNIWPJREAU-RSXGOPAZSA-N 0 0 440.547 4.911 50 0 IJAARN CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)Cc1cccc(Cl)c1Cl ZINC000032718908 556517795 /nfs/dbraw/zinc/51/77/95/556517795.db2.gz RVYNBBCVDNFXBG-IBGZPJMESA-N 0 0 449.378 4.950 50 0 IJAARN CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1 ZINC000011072677 556518579 /nfs/dbraw/zinc/51/85/79/556518579.db2.gz HRNLXAONHIGIFD-RUZDIDTESA-N 0 0 445.563 4.637 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000011073600 556518988 /nfs/dbraw/zinc/51/89/88/556518988.db2.gz NJXPOGBJIZJOOB-UHFFFAOYSA-N 0 0 428.536 4.728 50 0 IJAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074102 556519275 /nfs/dbraw/zinc/51/92/75/556519275.db2.gz KSQOHYVOYKARIN-UHFFFAOYSA-N 0 0 446.528 4.664 50 0 IJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)N3CCC[C@@H](C)C3)ccc2c1=O ZINC000013569325 556521439 /nfs/dbraw/zinc/52/14/39/556521439.db2.gz FLLKIIMJUUBJMS-QGZVFWFLSA-N 0 0 437.492 4.621 50 0 IJAARN OCCn1c2ncn3nc(-c4ccccc4O)nc3c2c(-c2ccccc2)c1-c1ccccc1 ZINC000013572097 556522591 /nfs/dbraw/zinc/52/25/91/556522591.db2.gz IYIYYCMTNBAJPM-UHFFFAOYSA-N 0 0 447.498 4.778 50 0 IJAARN O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000015354703 556522702 /nfs/dbraw/zinc/52/27/02/556522702.db2.gz TTWWFGDBKCAKTB-OAHLLOKOSA-N 0 0 440.282 4.991 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000015367487 556523286 /nfs/dbraw/zinc/52/32/86/556523286.db2.gz PSTCAVMJLGHAEM-MRXNPFEDSA-N 0 0 437.927 4.796 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)Nc3ccccc3C(N)=O)c(=O)oc12 ZINC000013573136 556523511 /nfs/dbraw/zinc/52/35/11/556523511.db2.gz DNULRYLZESQBNV-UHFFFAOYSA-N 0 0 446.503 4.734 50 0 IJAARN Clc1cccc(N2CCN(Cc3nnc(-c4ccc(Br)s4)o3)CC2)c1 ZINC000015378676 556523595 /nfs/dbraw/zinc/52/35/95/556523595.db2.gz JFYRKGIOQNCGMC-UHFFFAOYSA-N 0 0 439.766 4.536 50 0 IJAARN CCCCCC[C@@H](C)N(C(=O)c1ccc(=O)n(CCCC)n1)c1ccccc1C(=O)OC ZINC000072300860 556523566 /nfs/dbraw/zinc/52/35/66/556523566.db2.gz AXZDWJWHGKLIJC-LJQANCHMSA-N 0 0 441.572 4.836 50 0 IJAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000015397487 556524261 /nfs/dbraw/zinc/52/42/61/556524261.db2.gz TZILNWQXFLEQID-AREMUKBSSA-N 0 0 439.471 4.506 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2/C(C)=C/c2ccccc2)cc1 ZINC000015412454 556525171 /nfs/dbraw/zinc/52/51/71/556525171.db2.gz JAPQYSPXNZKVML-LEJURUINSA-N 0 0 430.479 4.686 50 0 IJAARN COc1ccc(NC(=O)[C@@]2(c3cccs3)CC(=O)N2c2ccc(C)c(C)c2)c(OC)c1 ZINC000015413003 556525680 /nfs/dbraw/zinc/52/56/80/556525680.db2.gz DWNMTEMRESOQMG-DEOSSOPVSA-N 0 0 436.533 4.653 50 0 IJAARN COc1ccc(C2=N/C(=C3/C=C(c4ccc(OC)cc4)Oc4ccccc43)C(=O)O2)cc1 ZINC000013592139 556529956 /nfs/dbraw/zinc/52/99/56/556529956.db2.gz QUUIFGVGFBUPQB-FLFQWRMESA-N 0 0 425.440 4.852 50 0 IJAARN COc1cc(-c2nn(CN(C)[C@@H]3CCCc4ccccc43)c(=S)o2)cc(OC)c1OC ZINC000032899414 556530743 /nfs/dbraw/zinc/53/07/43/556530743.db2.gz SDVHCPGHTAAIBK-GOSISDBHSA-N 0 0 441.553 4.865 50 0 IJAARN CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)CC1 ZINC000013625162 556536730 /nfs/dbraw/zinc/53/67/30/556536730.db2.gz MTUKDOVVNOYUEM-UHFFFAOYSA-N 0 0 435.615 4.756 50 0 IJAARN O=C(NCc1ccccc1)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1 ZINC000015685122 556543311 /nfs/dbraw/zinc/54/33/11/556543311.db2.gz CJTBMONJLQJUAH-RCCKNPSSSA-N 0 0 435.321 4.536 50 0 IJAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1OC ZINC000013646199 556543617 /nfs/dbraw/zinc/54/36/17/556543617.db2.gz VCEBTGXLKQVECH-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN O=C(N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000015778709 556550807 /nfs/dbraw/zinc/55/08/07/556550807.db2.gz YOGRXACLIJYVBT-HXUWFJFHSA-N 0 0 433.851 4.638 50 0 IJAARN CCCOc1ccc([C@H]2Oc3nc(SCC)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000032997288 556551085 /nfs/dbraw/zinc/55/10/85/556551085.db2.gz HXGWQIDVTXWWLS-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN Cc1cc(-c2csc(C)n2)c(C)n1CCC(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000032906422 556552204 /nfs/dbraw/zinc/55/22/04/556552204.db2.gz PZZKFRJCZVAQBB-UHFFFAOYSA-N 0 0 436.581 4.592 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1 ZINC000033115526 556555405 /nfs/dbraw/zinc/55/54/05/556555405.db2.gz WKGPTFLYFHVVNL-UHFFFAOYSA-N 0 0 426.582 4.524 50 0 IJAARN Cc1noc([C@@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)n1 ZINC000032905970 556556921 /nfs/dbraw/zinc/55/69/21/556556921.db2.gz ZFFALLUGSBRJNF-LLVKDONJSA-N 0 0 446.330 4.894 50 0 IJAARN Cc1cccc(OCC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1C ZINC000033266266 556557699 /nfs/dbraw/zinc/55/76/99/556557699.db2.gz NHWQBBPVKCBEPP-QHCPKHFHSA-N 0 0 431.467 4.777 50 0 IJAARN CCOCCCNC(=O)c1c(N)c(C(=O)c2ccc(C3CCCCC3)cc2)sc1NC ZINC000015911322 556563151 /nfs/dbraw/zinc/56/31/51/556563151.db2.gz HQXQNWXTEBDCKZ-UHFFFAOYSA-N 0 0 443.613 4.807 50 0 IJAARN CC(C)n1nccc1NC(=O)CN1CCC[C@@H]1c1nc(-c2ccccc2C(F)(F)F)c[nH]1 ZINC000072308667 556565015 /nfs/dbraw/zinc/56/50/15/556565015.db2.gz AQBPXPMYRKAIOW-GOSISDBHSA-N 0 0 446.477 4.649 50 0 IJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)ccc1OC(=O)c1ccccc1 ZINC000015945242 556566579 /nfs/dbraw/zinc/56/65/79/556566579.db2.gz UOAPLSIBJCUZMP-RCDICMHDSA-N 0 0 448.544 4.955 50 0 IJAARN CCc1ccc(C(=O)N2CCCN(c3nc(C)nc(C)c3Cc3ccc(C)cc3)CC2)cc1 ZINC000033661299 556566596 /nfs/dbraw/zinc/56/65/96/556566596.db2.gz MONCLRMGPUTBQD-UHFFFAOYSA-N 0 0 442.607 4.908 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc2c1CCCC2 ZINC000015946865 556567796 /nfs/dbraw/zinc/56/77/96/556567796.db2.gz HYFCDDFKXQPUPS-UHFFFAOYSA-N 0 0 441.597 4.558 50 0 IJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032960934 556571370 /nfs/dbraw/zinc/57/13/70/556571370.db2.gz RULPNUVGYMVERN-UHFFFAOYSA-N 0 0 448.350 4.611 50 0 IJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000032960987 556571901 /nfs/dbraw/zinc/57/19/01/556571901.db2.gz IAVZPHLGOXDIHW-UHFFFAOYSA-N 0 0 437.392 4.980 50 0 IJAARN C[C@H](Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1)c1ccccc1 ZINC000000754837 556573100 /nfs/dbraw/zinc/57/31/00/556573100.db2.gz APAFZTQPRYFQJO-HNNXBMFYSA-N 0 0 444.461 4.644 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)c(OC)c1OC ZINC000001095609 556573874 /nfs/dbraw/zinc/57/38/74/556573874.db2.gz GKJPOZFAPBJAQO-UHFFFAOYSA-N 0 0 446.503 4.748 50 0 IJAARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3SC(=O)NC3=O)c1C)CCCC2 ZINC000001248280 556574835 /nfs/dbraw/zinc/57/48/35/556574835.db2.gz MMUIQPBEWATPHE-YBEGLDIGSA-N 0 0 430.551 4.535 50 0 IJAARN O=C(COC(=O)COc1ccc2oc3ccccc3c2c1)NCC12CC3CC(CC(C3)C1)C2 ZINC000016044345 556578625 /nfs/dbraw/zinc/57/86/25/556578625.db2.gz GSWALTVVTLYHEW-UHFFFAOYSA-N 0 0 447.531 4.841 50 0 IJAARN c1csc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)o2)c1 ZINC000016045222 556579220 /nfs/dbraw/zinc/57/92/20/556579220.db2.gz AACUSBBPTLOXOB-LBPRGKRZSA-N 0 0 431.568 4.589 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000016061410 556581523 /nfs/dbraw/zinc/58/15/23/556581523.db2.gz GIJZVSJBPSVISQ-UHFFFAOYSA-N 0 0 431.261 4.559 50 0 IJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)COc3ccccc3)[C@@H](C)C1)=N2 ZINC000034812769 556582909 /nfs/dbraw/zinc/58/29/09/556582909.db2.gz PPGSTQPZCUUCGX-FQEVSTJZSA-N 0 0 441.531 4.791 50 0 IJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)COc3ccccc3)[C@H](C)C1)=N2 ZINC000034812768 556582934 /nfs/dbraw/zinc/58/29/34/556582934.db2.gz PPGSTQPZCUUCGX-HXUWFJFHSA-N 0 0 441.531 4.791 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000034872294 556585024 /nfs/dbraw/zinc/58/50/24/556585024.db2.gz QVFDUJRTIASYAP-KRWDZBQOSA-N 0 0 434.561 4.977 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034889468 556585766 /nfs/dbraw/zinc/58/57/66/556585766.db2.gz LWHQQICNECELPM-GHJWDPDVSA-N 0 0 439.305 4.985 50 0 IJAARN O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032971463 556589354 /nfs/dbraw/zinc/58/93/54/556589354.db2.gz KTJGEDMMAAWTIE-UHFFFAOYSA-N 0 0 442.441 4.595 50 0 IJAARN N=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2c(F)cccc2Cl)S1 ZINC000016214211 556591384 /nfs/dbraw/zinc/59/13/84/556591384.db2.gz NOMBISRSRHQTGP-CHHVJCJISA-N 0 0 441.709 4.959 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc(C)o2)c1 ZINC000032974997 556596794 /nfs/dbraw/zinc/59/67/94/556596794.db2.gz LCIOPGKDEXHHRT-UHFFFAOYSA-N 0 0 445.519 4.707 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)c1 ZINC000036801640 556600154 /nfs/dbraw/zinc/60/01/54/556600154.db2.gz PTMANTSKEYRDNH-UHFFFAOYSA-N 0 0 442.544 4.624 50 0 IJAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N1CCC[C@@H]1c1cccs1 ZINC000016336238 556600838 /nfs/dbraw/zinc/60/08/38/556600838.db2.gz CNVHQDKBJDWTID-OAHLLOKOSA-N 0 0 434.587 4.807 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037376988 556602371 /nfs/dbraw/zinc/60/23/71/556602371.db2.gz OSZFHAHFWOIEKM-UHFFFAOYSA-N 0 0 444.869 4.553 50 0 IJAARN CCc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000016361550 556602667 /nfs/dbraw/zinc/60/26/67/556602667.db2.gz BHJVZWFKFWCOLG-QGZVFWFLSA-N 0 0 437.348 4.560 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000037399365 556602886 /nfs/dbraw/zinc/60/28/86/556602886.db2.gz QPEFBIYHGAFYKI-UHFFFAOYSA-N 0 0 448.998 4.917 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000037399332 556602933 /nfs/dbraw/zinc/60/29/33/556602933.db2.gz WTRNWAFWKROZGN-UHFFFAOYSA-N 0 0 446.570 4.741 50 0 IJAARN COc1cccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 ZINC000032985629 556605065 /nfs/dbraw/zinc/60/50/65/556605065.db2.gz MPQYBOYVNJUYLR-UHFFFAOYSA-N 0 0 442.471 4.699 50 0 IJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(OCc2cccs2)c1 ZINC000032914459 556607707 /nfs/dbraw/zinc/60/77/07/556607707.db2.gz LZGAWTDIXXMHKT-INIZCTEOSA-N 0 0 429.563 4.564 50 0 IJAARN COC(=O)c1ccc(OC(=O)Cc2c(OC)ccc3cc(Br)ccc32)cc1 ZINC000016448024 556608297 /nfs/dbraw/zinc/60/82/97/556608297.db2.gz BLBSCUKWVFXDOU-UHFFFAOYSA-N 0 0 429.266 4.546 50 0 IJAARN CC(C)[C@H](NC(=O)CSCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032987225 556609509 /nfs/dbraw/zinc/60/95/09/556609509.db2.gz GPHCDNMYPBHHPV-SFHVURJKSA-N 0 0 446.623 4.599 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000032996035 556611218 /nfs/dbraw/zinc/61/12/18/556611218.db2.gz NWHLLDMOIVPJPA-REWPJTCUSA-N 0 0 443.572 4.782 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)o2)cc1 ZINC000016680475 556623815 /nfs/dbraw/zinc/62/38/15/556623815.db2.gz KSAJXIVCNPQUON-UHFFFAOYSA-N 0 0 440.902 4.900 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3cccc(OC)c3)C2)cc1 ZINC000097938698 556634996 /nfs/dbraw/zinc/63/49/96/556634996.db2.gz UUUGYHALSMEAPF-LJQANCHMSA-N 0 0 443.507 4.594 50 0 IJAARN CCc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016742017 556635694 /nfs/dbraw/zinc/63/56/94/556635694.db2.gz BBMJCHDSJQCXQB-NRFANRHFSA-N 0 0 439.577 4.750 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc2c(c1)OCO2 ZINC000016750183 556637087 /nfs/dbraw/zinc/63/70/87/556637087.db2.gz YDQOYUSBECVLTL-UHFFFAOYSA-N 0 0 444.424 4.882 50 0 IJAARN CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1 ZINC000016752301 556637842 /nfs/dbraw/zinc/63/78/42/556637842.db2.gz OSZRFOIREHWQTR-HSZRJFAPSA-N 0 0 435.520 4.680 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OCC ZINC000016753019 556638162 /nfs/dbraw/zinc/63/81/62/556638162.db2.gz WXRXTXCPBUORRE-INIZCTEOSA-N 0 0 425.485 4.557 50 0 IJAARN COCc1nn2c(ncc3c2ccn(Cc2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397762 556639722 /nfs/dbraw/zinc/63/97/22/556639722.db2.gz SPBYHKZOHRGIKG-UHFFFAOYSA-N 0 0 430.895 4.559 50 0 IJAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000016790682 556642731 /nfs/dbraw/zinc/64/27/31/556642731.db2.gz VAMSKRBBMAUQEJ-HNNXBMFYSA-N 0 0 440.824 4.765 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c1nc(-c1ccc(F)cc1)cc2=O ZINC000040484862 556643712 /nfs/dbraw/zinc/64/37/12/556643712.db2.gz WTGTVVZKUKCIQY-UHFFFAOYSA-N 0 0 440.478 4.711 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)cc1)NCc1ccc(F)cc1 ZINC000037556437 556645046 /nfs/dbraw/zinc/64/50/46/556645046.db2.gz FCIFGDMBSJTDDL-UHFFFAOYSA-N 0 0 434.486 4.767 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000016828993 556645290 /nfs/dbraw/zinc/64/52/90/556645290.db2.gz BNROKHHNDMLYFJ-KRWDZBQOSA-N 0 0 443.503 4.835 50 0 IJAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCc3ccccc3)cc2)c1 ZINC000037556875 556645264 /nfs/dbraw/zinc/64/52/64/556645264.db2.gz ZUYNJGHMTGEUPX-UHFFFAOYSA-N 0 0 426.560 4.840 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037601385 556646380 /nfs/dbraw/zinc/64/63/80/556646380.db2.gz ZLPWFLBTXYQAMI-SANMLTNESA-N 0 0 434.580 4.564 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NCC1CC1 ZINC000037601886 556646462 /nfs/dbraw/zinc/64/64/62/556646462.db2.gz DIZYAPPSHVMBFZ-RPBOFIJWSA-N 0 0 434.580 4.500 50 0 IJAARN COc1ccc(-c2csc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)cc1 ZINC000038486927 556647603 /nfs/dbraw/zinc/64/76/03/556647603.db2.gz RANZWIFJAHDHKI-UHFFFAOYSA-N 0 0 446.305 4.550 50 0 IJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccccc1COCc1ccccc1 ZINC000032925122 556649900 /nfs/dbraw/zinc/64/99/00/556649900.db2.gz KFMFUJOLOJFIBI-QFIPXVFZSA-N 0 0 428.532 4.611 50 0 IJAARN Cc1cc(NC(=O)CC2CCCCC2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000017011768 556652643 /nfs/dbraw/zinc/65/26/43/556652643.db2.gz BGWZVSOEQJKBOJ-UHFFFAOYSA-N 0 0 449.946 4.872 50 0 IJAARN Cc1c(C)n(-c2cc(Cl)ccc2C)c2ncn(CCC(=O)N3CCCCCC3)c(=O)c12 ZINC000032999280 556653208 /nfs/dbraw/zinc/65/32/08/556653208.db2.gz BSJROQIZJSKAOH-UHFFFAOYSA-N 0 0 440.975 4.559 50 0 IJAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1 ZINC000038652918 556653623 /nfs/dbraw/zinc/65/36/23/556653623.db2.gz KTCNUZDONDQITK-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN Cc1nn(-c2nc(CC(=O)N3CCc4ccccc4C3)cs2)c(C)c1Cc1ccccc1 ZINC000033004549 556654695 /nfs/dbraw/zinc/65/46/95/556654695.db2.gz CWTPSRLJOVAKDX-UHFFFAOYSA-N 0 0 442.588 4.664 50 0 IJAARN CCOCCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000032925863 556655176 /nfs/dbraw/zinc/65/51/76/556655176.db2.gz UYWGWXQTBCARRG-UHFFFAOYSA-N 0 0 434.462 4.549 50 0 IJAARN Cc1nc(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)nn1-c1ccc(F)cc1 ZINC000032925827 556655194 /nfs/dbraw/zinc/65/51/94/556655194.db2.gz XUGGTIUCBKNNSX-UHFFFAOYSA-N 0 0 444.470 4.920 50 0 IJAARN COc1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)c(OC)c1 ZINC000017094648 556657949 /nfs/dbraw/zinc/65/79/49/556657949.db2.gz UJTJSYPANJMRFT-UHFFFAOYSA-N 0 0 425.938 4.799 50 0 IJAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCN(c4ccccc4F)CC3)c2c1 ZINC000017094881 556658111 /nfs/dbraw/zinc/65/81/11/556658111.db2.gz YUNQSEBZXBBIBR-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000033011534 556659390 /nfs/dbraw/zinc/65/93/90/556659390.db2.gz PYUOJBLMXKKRJB-UHFFFAOYSA-N 0 0 436.921 4.622 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011897 556660136 /nfs/dbraw/zinc/66/01/36/556660136.db2.gz OCWYMUKRUOMXMQ-UHFFFAOYSA-N 0 0 436.921 4.622 50 0 IJAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000011847400 556660315 /nfs/dbraw/zinc/66/03/15/556660315.db2.gz GSJFGARWWTZFIH-UHFFFAOYSA-N 0 0 439.496 4.712 50 0 IJAARN COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043120733 556661052 /nfs/dbraw/zinc/66/10/52/556661052.db2.gz IJOLYFZBLJPKPI-UHFFFAOYSA-N 0 0 440.425 4.955 50 0 IJAARN CCc1ccccc1NC(=O)COC(=O)CSc1nc2ccccc2n1CC(C)C ZINC000033013916 556664105 /nfs/dbraw/zinc/66/41/05/556664105.db2.gz ACZTXDJKOOBZGI-UHFFFAOYSA-N 0 0 425.554 4.529 50 0 IJAARN CCOC(=O)COc1ccc2oc(=O)cc(-c3cc4cc(Br)ccc4o3)c2c1 ZINC000011865152 556665033 /nfs/dbraw/zinc/66/50/33/556665033.db2.gz QGGVZTJKXLHVNE-UHFFFAOYSA-N 0 0 443.249 4.911 50 0 IJAARN CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)c5ccco5)ccc43)c(=O)oc21 ZINC000011866257 556666224 /nfs/dbraw/zinc/66/62/24/556666224.db2.gz JJJKSQAJEUVRHS-UHFFFAOYSA-N 0 0 444.395 4.777 50 0 biogenic IJAARN CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000017167111 556671144 /nfs/dbraw/zinc/67/11/44/556671144.db2.gz ABOGTQCGOVHOQF-ODLFYWEKSA-N 0 0 439.924 4.990 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)c1nn(-c2ccccc2F)cc1Br ZINC000032932541 556675710 /nfs/dbraw/zinc/67/57/10/556675710.db2.gz RYMDTDNIPGLIAK-UHFFFAOYSA-N 0 0 445.317 4.656 50 0 IJAARN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000000660667 556681903 /nfs/dbraw/zinc/68/19/03/556681903.db2.gz DWCZXGFAGVCRSU-DHNIJCFSSA-N 0 0 448.563 4.563 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000018210433 556687164 /nfs/dbraw/zinc/68/71/64/556687164.db2.gz ZBUGVSRIXXTQOJ-KSSFIOAISA-N 0 0 430.386 4.524 50 0 IJAARN O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1C1CCCCC1 ZINC000000970593 556690020 /nfs/dbraw/zinc/69/00/20/556690020.db2.gz RXGDKTBFZJNXTO-VIZOYTHASA-N 0 0 426.357 4.712 50 0 IJAARN COc1ccccc1NC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2nc1OC ZINC000046006680 556690614 /nfs/dbraw/zinc/69/06/14/556690614.db2.gz JJBSNQISXFGNJK-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 ZINC000010643925 556691197 /nfs/dbraw/zinc/69/11/97/556691197.db2.gz MZOVKFTVSCDSSQ-QGZVFWFLSA-N 0 0 448.748 4.613 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000046141385 556692709 /nfs/dbraw/zinc/69/27/09/556692709.db2.gz HXJWTSTWLBYHRF-UHFFFAOYSA-N 0 0 435.546 4.866 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)N1CCCCCC1 ZINC000046141444 556692953 /nfs/dbraw/zinc/69/29/53/556692953.db2.gz ALOVILHDLKPDPQ-UHFFFAOYSA-N 0 0 437.974 4.992 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000046141500 556692954 /nfs/dbraw/zinc/69/29/54/556692954.db2.gz DBDMLOBDJJRKTK-UHFFFAOYSA-N 0 0 433.461 4.853 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000046141478 556692995 /nfs/dbraw/zinc/69/29/95/556692995.db2.gz GSCLAVFGOCSMJW-UHFFFAOYSA-N 0 0 449.941 4.841 50 0 IJAARN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC ZINC000000798559 556695874 /nfs/dbraw/zinc/69/58/74/556695874.db2.gz GPVBAZFMBAKVSI-UHFFFAOYSA-N 0 0 444.531 4.862 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137588652 556697369 /nfs/dbraw/zinc/69/73/69/556697369.db2.gz KGRDTHKAUXVLSN-ISJGIBHGSA-N 0 0 442.515 4.917 50 0 IJAARN CN(C)c1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 ZINC000033025655 556700781 /nfs/dbraw/zinc/70/07/81/556700781.db2.gz RKZCZJASXZDVKK-UHFFFAOYSA-N 0 0 447.539 4.870 50 0 IJAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000033027081 556704154 /nfs/dbraw/zinc/70/41/54/556704154.db2.gz RECUCILDAFXBLW-ZDUSSCGKSA-N 0 0 444.944 4.551 50 0 IJAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069037 556710654 /nfs/dbraw/zinc/71/06/54/556710654.db2.gz LTRXNPXHOFLNRC-QGZVFWFLSA-N 0 0 426.948 4.700 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c(C)c1 ZINC000033031725 556711426 /nfs/dbraw/zinc/71/14/26/556711426.db2.gz BGVIHEHUQFQULV-UHFFFAOYSA-N 0 0 448.542 4.967 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)cc1 ZINC000033031889 556712593 /nfs/dbraw/zinc/71/25/93/556712593.db2.gz FCRIWEHJGLVERU-INIZCTEOSA-N 0 0 438.553 4.515 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000033880997 556719472 /nfs/dbraw/zinc/71/94/72/556719472.db2.gz SREQIMMNHFVWCU-UHFFFAOYSA-N 0 0 429.568 4.655 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011140009 556719958 /nfs/dbraw/zinc/71/99/58/556719958.db2.gz LAIISQYWKJIJTM-FQEVSTJZSA-N 0 0 448.350 4.513 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCCC2 ZINC000072324406 556722163 /nfs/dbraw/zinc/72/21/63/556722163.db2.gz MTEMFLZTCJCAJS-QHCPKHFHSA-N 0 0 431.536 4.695 50 0 biogenic IJAARN COc1ccc(C2(CNC(=O)CCn3ccc4c3cccc4Cl)CCOCC2)cc1 ZINC000072325768 556724003 /nfs/dbraw/zinc/72/40/03/556724003.db2.gz GJPMQAUHGVJRNC-UHFFFAOYSA-N 0 0 426.944 4.558 50 0 biogenic IJAARN Cc1ccc(C)c(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccccc43)CC2)c1 ZINC000072328376 556725178 /nfs/dbraw/zinc/72/51/78/556725178.db2.gz DNTADUBJQJJFLV-UHFFFAOYSA-N 0 0 428.580 4.804 50 0 IJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cc(OC)ccc1OC ZINC000072328526 556725939 /nfs/dbraw/zinc/72/59/39/556725939.db2.gz XVHCENNDZIOSHZ-UHFFFAOYSA-N 0 0 427.932 5.000 50 0 IJAARN CC(C)(C)c1ccc(-n2c(COc3ccccc3)nn(CN3CCOCC3)c2=S)cc1 ZINC000072329971 556727672 /nfs/dbraw/zinc/72/76/72/556727672.db2.gz SZOZZZCOGSNCHS-UHFFFAOYSA-N 0 0 438.597 4.569 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)s1 ZINC000055042214 556732354 /nfs/dbraw/zinc/73/23/54/556732354.db2.gz ZIFUKWDVORZEFQ-LJQANCHMSA-N 0 0 437.531 4.502 50 0 IJAARN CC(=O)N(c1nc(CN2C[C@H](C)Oc3cc(C)c(Br)cc32)cs1)C1CC1 ZINC000079051236 556738100 /nfs/dbraw/zinc/73/81/00/556738100.db2.gz HOUNTSMLTYRVOM-LBPRGKRZSA-N 0 0 436.375 4.517 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005211264 556739634 /nfs/dbraw/zinc/73/96/34/556739634.db2.gz ZXAXDPRTVBTUIS-UHFFFAOYSA-N 0 0 426.944 4.836 50 0 IJAARN COc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c1O ZINC000055543073 556741827 /nfs/dbraw/zinc/74/18/27/556741827.db2.gz NFGSHERZKQRMJK-UHFFFAOYSA-N 0 0 445.279 4.504 50 0 IJAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCN(Cc4cccc5ccccc54)CC3)c2)n1 ZINC000057995313 556751649 /nfs/dbraw/zinc/75/16/49/556751649.db2.gz DHTAZIXJNYLNNQ-UHFFFAOYSA-N 0 0 438.575 4.659 50 0 IJAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@H]1C1CCCCC1 ZINC000058014213 556753464 /nfs/dbraw/zinc/75/34/64/556753464.db2.gz YCOLRFGJPVFMJR-FQEVSTJZSA-N 0 0 439.021 4.700 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc4ccccc43)o2)c(OC)c1 ZINC000019423734 556755558 /nfs/dbraw/zinc/75/55/58/556755558.db2.gz HMCLIVSCOOARSW-HNNXBMFYSA-N 0 0 449.532 4.877 50 0 IJAARN NC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)cc1 ZINC000072027599 556762170 /nfs/dbraw/zinc/76/21/70/556762170.db2.gz XWWVMMHAVZPQLP-UHFFFAOYSA-N 0 0 439.302 4.748 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CN2CCCC[C@H]2c2nc3ccccc3s2)n1 ZINC000058160430 556764332 /nfs/dbraw/zinc/76/43/32/556764332.db2.gz IGLSYTCQCVDJJO-SFHVURJKSA-N 0 0 431.569 4.843 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC1CCCCCCC1)C(=O)OC2 ZINC000062001438 556764400 /nfs/dbraw/zinc/76/44/00/556764400.db2.gz YEOTYHVDHISXHR-LFIBNONCSA-N 0 0 429.557 4.878 50 0 biogenic IJAARN Cc1cc(CNC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)no1 ZINC000058169351 556767761 /nfs/dbraw/zinc/76/77/61/556767761.db2.gz ARKYUDCAHGLQHO-UHFFFAOYSA-N 0 0 435.915 4.831 50 0 IJAARN CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Sc4ncccn4)cc3C)cc2C1=O ZINC000058180730 556770335 /nfs/dbraw/zinc/77/03/35/556770335.db2.gz BXLUHMINYLUPCB-UHFFFAOYSA-N 0 0 446.532 4.585 50 0 IJAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)no1 ZINC000058226934 556773742 /nfs/dbraw/zinc/77/37/42/556773742.db2.gz VFLGTHSJFRUSKL-IRXDYDNUSA-N 0 0 438.553 4.855 50 0 IJAARN COc1ccc(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)cc1OC ZINC000001332430 556774795 /nfs/dbraw/zinc/77/47/95/556774795.db2.gz FAFJUPJPFOGOJD-UHFFFAOYSA-N 0 0 438.534 4.501 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000058246799 556775475 /nfs/dbraw/zinc/77/54/75/556775475.db2.gz UUSGEXDKLGCVCT-FQEVSTJZSA-N 0 0 428.920 4.766 50 0 IJAARN NC(=O)N1CCCN(c2nc(-c3ccccc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000058281367 556777236 /nfs/dbraw/zinc/77/72/36/556777236.db2.gz APTJOZUALXDPJK-UHFFFAOYSA-N 0 0 429.549 4.616 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000058314782 556780430 /nfs/dbraw/zinc/78/04/30/556780430.db2.gz HSWRFTZSLSBFEK-UHFFFAOYSA-N 0 0 429.398 4.836 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000058407503 556786159 /nfs/dbraw/zinc/78/61/59/556786159.db2.gz GHRQMDGPZJUKOA-INIZCTEOSA-N 0 0 447.347 4.755 50 0 IJAARN C[C@H](OC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)C(=O)Nc1ncccn1 ZINC000058785061 556791988 /nfs/dbraw/zinc/79/19/88/556791988.db2.gz KEILKCQVJLONSC-ZETCQYMHSA-N 0 0 430.700 4.836 50 0 IJAARN COCCn1nc(C)c(CNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000072038897 556792421 /nfs/dbraw/zinc/79/24/21/556792421.db2.gz ASQPCXUMDJJWKP-UHFFFAOYSA-N 0 0 449.595 4.953 50 0 IJAARN CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000059332618 556798321 /nfs/dbraw/zinc/79/83/21/556798321.db2.gz HCEJIVVBAFIEIX-UHFFFAOYSA-N 0 0 437.462 4.658 50 0 IJAARN O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401223 556799945 /nfs/dbraw/zinc/79/99/45/556799945.db2.gz CKGQXHUMUFHAOR-RDPSFJRHSA-N 0 0 443.547 4.838 50 0 IJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000002636226 556801370 /nfs/dbraw/zinc/80/13/70/556801370.db2.gz ZTJABLOXQKMAHC-UHFFFAOYSA-N 0 0 439.490 4.716 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1Br ZINC000002653443 556802553 /nfs/dbraw/zinc/80/25/53/556802553.db2.gz GTCSXCJNQCWGQC-UHFFFAOYSA-N 0 0 437.337 4.751 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000003185251 556804081 /nfs/dbraw/zinc/80/40/81/556804081.db2.gz JIVPNZXPGWZEAP-KPKJPENVSA-N 0 0 427.353 4.676 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nnc(C(C)(C)C)s3)cc12 ZINC000059825156 556804642 /nfs/dbraw/zinc/80/46/42/556804642.db2.gz MIEILMWYHUNOPL-UHFFFAOYSA-N 0 0 429.546 4.995 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 ZINC000003303152 556808881 /nfs/dbraw/zinc/80/88/81/556808881.db2.gz IQGNMEQXSYAHIU-UHFFFAOYSA-N 0 0 442.544 4.624 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000003312534 556809765 /nfs/dbraw/zinc/80/97/65/556809765.db2.gz JRFAJABNGKXMOA-UHFFFAOYSA-N 0 0 438.911 4.961 50 0 IJAARN OCCN(Cc1ccc(OCc2ccccn2)cc1)Cc1cc(Br)ccc1F ZINC000060381435 556812573 /nfs/dbraw/zinc/81/25/73/556812573.db2.gz CCYFUCYXQBWPFQ-UHFFFAOYSA-N 0 0 445.332 4.557 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003341664 556813025 /nfs/dbraw/zinc/81/30/25/556813025.db2.gz HAPCWSADEHJSFK-UHFFFAOYSA-N 0 0 445.592 4.592 50 0 IJAARN COc1cc(SC)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000003429837 556815154 /nfs/dbraw/zinc/81/51/54/556815154.db2.gz NZRAQWAUDBPSMX-UHFFFAOYSA-N 0 0 426.460 4.525 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)c1 ZINC000003451103 556815984 /nfs/dbraw/zinc/81/59/84/556815984.db2.gz SVZSVMZEGKVVEQ-UHFFFAOYSA-N 0 0 446.638 4.987 50 0 IJAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003451536 556816084 /nfs/dbraw/zinc/81/60/84/556816084.db2.gz JQYPMAWMBDCPEJ-UHFFFAOYSA-N 0 0 432.524 4.702 50 0 IJAARN COc1cc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)cc(OC)c1OC ZINC000033062216 556817882 /nfs/dbraw/zinc/81/78/82/556817882.db2.gz GWZLRKFYXNEMHJ-IBGZPJMESA-N 0 0 446.507 4.542 50 0 IJAARN COc1ccc([C@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062394 556818076 /nfs/dbraw/zinc/81/80/76/556818076.db2.gz IQQHVDYALFVGLN-NRFANRHFSA-N 0 0 429.520 4.816 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067885 556820030 /nfs/dbraw/zinc/82/00/30/556820030.db2.gz SIWPWLFTERTARB-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000033068182 556820942 /nfs/dbraw/zinc/82/09/42/556820942.db2.gz BMCIWENDGJEDBI-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1 ZINC000033068257 556821933 /nfs/dbraw/zinc/82/19/33/556821933.db2.gz MCZDGQIPVSISJI-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000064450504 556824219 /nfs/dbraw/zinc/82/42/19/556824219.db2.gz FMFBRGKVTJOUSW-UHFFFAOYSA-N 0 0 441.509 4.664 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1c1ccc(F)cc1 ZINC000064661959 556825660 /nfs/dbraw/zinc/82/56/60/556825660.db2.gz HBGXARSWXOYGTF-XMMPIXPASA-N 0 0 433.508 4.577 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000064662282 556826218 /nfs/dbraw/zinc/82/62/18/556826218.db2.gz BWYJIYJODSRLSW-RUZDIDTESA-N 0 0 435.593 4.875 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C\c1ccc3c(c1)OCO3)CC2 ZINC000096544651 556829111 /nfs/dbraw/zinc/82/91/11/556829111.db2.gz XFXKLIGKHAVBTJ-RUNMITEXSA-N 0 0 443.499 4.620 50 0 IJAARN CCOc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1OC ZINC000064949568 556829431 /nfs/dbraw/zinc/82/94/31/556829431.db2.gz GEUPBDBLDXODHV-UHFFFAOYSA-N 0 0 440.459 4.510 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)n2)CC1 ZINC000065365409 556835996 /nfs/dbraw/zinc/83/59/96/556835996.db2.gz OMKXNHVVFNVQPO-UHFFFAOYSA-N 0 0 446.555 4.590 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)OC)c1C ZINC000019637738 556836218 /nfs/dbraw/zinc/83/62/18/556836218.db2.gz UXVDYYZQJIZISB-UHFFFAOYSA-N 0 0 443.352 4.884 50 0 IJAARN O=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1cc(-c2ccc(OC(F)F)cc2)[nH]n1 ZINC000019639269 556836610 /nfs/dbraw/zinc/83/66/10/556836610.db2.gz FNJLGYVLVMWDSB-UHFFFAOYSA-N 0 0 443.841 4.829 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC(F)F)n2CC)cc1 ZINC000019647173 556840858 /nfs/dbraw/zinc/84/08/58/556840858.db2.gz PTXCRQRATQATHX-UHFFFAOYSA-N 0 0 448.495 4.696 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000008710328 556842926 /nfs/dbraw/zinc/84/29/26/556842926.db2.gz FGJYGUXZBDZBJD-UHFFFAOYSA-N 0 0 433.533 4.625 50 0 IJAARN c1cn(CC[C@@H]2CCCCN2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491415 556843080 /nfs/dbraw/zinc/84/30/80/556843080.db2.gz QAWAZXVILFINJW-QHCPKHFHSA-N 0 0 427.552 4.891 50 0 IJAARN CCCCn1c(C)c(C(=O)OCC)c2cc(OCc3nnco3)c(Br)cc21 ZINC000068755354 556849686 /nfs/dbraw/zinc/84/96/86/556849686.db2.gz UBNKUJDURMZFFF-UHFFFAOYSA-N 0 0 436.306 4.651 50 0 IJAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n(CC(C)C)c2=O ZINC000033076947 556850802 /nfs/dbraw/zinc/85/08/02/556850802.db2.gz YTGQCMZWRLAVSA-UHFFFAOYSA-N 0 0 427.545 4.624 50 0 IJAARN COc1cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc(OC)c1 ZINC000033072747 556852272 /nfs/dbraw/zinc/85/22/72/556852272.db2.gz UUEUFIDHOOVTAS-UHFFFAOYSA-N 0 0 448.498 4.597 50 0 IJAARN O=C(CCCOC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)c1cccs1 ZINC000008938041 556853050 /nfs/dbraw/zinc/85/30/50/556853050.db2.gz GYYGEAPAIXWBDA-UHFFFAOYSA-N 0 0 436.485 4.570 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2Br)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078902 556853951 /nfs/dbraw/zinc/85/39/51/556853951.db2.gz QWRMADONEYPNFW-UHFFFAOYSA-N 0 0 431.359 4.923 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(C2CCN(C(=O)c3ccccc3Cl)CC2)s1 ZINC000033114009 556860963 /nfs/dbraw/zinc/86/09/63/556860963.db2.gz OSRDPOPQYRXQTC-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1Cl)CO2 ZINC000033121648 556862711 /nfs/dbraw/zinc/86/27/11/556862711.db2.gz MYUBBZSOZVOKSY-SFHVURJKSA-N 0 0 435.911 4.852 50 0 IJAARN COc1cc(NC(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)cc(OC)c1OC ZINC000033129643 556868759 /nfs/dbraw/zinc/86/87/59/556868759.db2.gz AHLUQTVUQGKFRR-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN CCc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129941 556869544 /nfs/dbraw/zinc/86/95/44/556869544.db2.gz KNMYWXLPRSLOEY-UHFFFAOYSA-N 0 0 434.561 4.953 50 0 IJAARN O=C(CNC(=S)N(Cc1cccs1)Cc1ccccc1)NC1CCCCCCC1 ZINC000004671948 556869891 /nfs/dbraw/zinc/86/98/91/556869891.db2.gz RWCQROIMTLIONU-UHFFFAOYSA-N 0 0 429.655 4.854 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)c1 ZINC000033130447 556870405 /nfs/dbraw/zinc/87/04/05/556870405.db2.gz KTHLSQRUQDQXJU-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(OCCO)c1 ZINC000019720333 556876189 /nfs/dbraw/zinc/87/61/89/556876189.db2.gz SCONMCJAVGMQLX-MHZLTWQESA-N 0 0 428.532 4.695 50 0 IJAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 ZINC000033142083 556877728 /nfs/dbraw/zinc/87/77/28/556877728.db2.gz OXCKGFOSGDWSMV-UHFFFAOYSA-N 0 0 436.556 4.501 50 0 IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[C@]5(O)CCCC[C@H]5C4)c(C)c3cc2c1C ZINC000015954301 556880622 /nfs/dbraw/zinc/88/06/22/556880622.db2.gz HCOCIDUQXBEECN-HFJWLAOPSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN CCOC(=O)c1cccc(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033168915 556881185 /nfs/dbraw/zinc/88/11/85/556881185.db2.gz QNXZNVBZAYAEJB-UHFFFAOYSA-N 0 0 425.535 4.535 50 0 IJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1OC ZINC000033168895 556881195 /nfs/dbraw/zinc/88/11/95/556881195.db2.gz XGWXTHXHJYWHMH-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168867 556881210 /nfs/dbraw/zinc/88/12/10/556881210.db2.gz URCADULPDRZBEI-FQEVSTJZSA-N 0 0 448.592 4.559 50 0 IJAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1NC(=O)C1CC1 ZINC000033171164 556882010 /nfs/dbraw/zinc/88/20/10/556882010.db2.gz MDZFBUVOJQTKNU-JYRVWZFOSA-N 0 0 437.521 4.611 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)no1 ZINC000033178324 556886930 /nfs/dbraw/zinc/88/69/30/556886930.db2.gz QWPNXOVZLURDPU-GOSISDBHSA-N 0 0 427.504 4.907 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)cc1 ZINC000033261316 556897164 /nfs/dbraw/zinc/89/71/64/556897164.db2.gz XFYCJQRFJCDVCD-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN O=C(NCCc1nc2cccnc2n1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000033263687 556902018 /nfs/dbraw/zinc/90/20/18/556902018.db2.gz QJIMPFWNRGFNKR-UHFFFAOYSA-N 0 0 439.441 4.863 50 0 IJAARN COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1[C@@H](C)c1ccccc1)c1ccc(C)cc1C ZINC000019799042 556916812 /nfs/dbraw/zinc/91/68/12/556916812.db2.gz LHQKHRFCDHODJW-QTLGCAHFSA-N 0 0 432.564 4.907 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1 ZINC000019823452 556924960 /nfs/dbraw/zinc/92/49/60/556924960.db2.gz NLNAASANAPMFQW-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccco2)cc1 ZINC000019824476 556925627 /nfs/dbraw/zinc/92/56/27/556925627.db2.gz KVUVSCIUNRQECY-UHFFFAOYSA-N 0 0 438.484 4.796 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccs2)cc1 ZINC000019824850 556925936 /nfs/dbraw/zinc/92/59/36/556925936.db2.gz BPAKZIFYNNLBRA-UHFFFAOYSA-N 0 0 440.525 4.874 50 0 IJAARN Cc1cc2nc3n(c2cc1C)[C@H](CS(=O)(=O)c1ccc(Br)cc1)CS3 ZINC000019829153 556926273 /nfs/dbraw/zinc/92/62/73/556926273.db2.gz BFCDTNYBVIEHQY-AWEZNQCLSA-N 0 0 437.384 4.536 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859665 556932151 /nfs/dbraw/zinc/93/21/51/556932151.db2.gz OMRKXYTVDDVARF-LJQANCHMSA-N 0 0 442.968 4.674 50 0 IJAARN CCc1cc([C@@H](c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880718 556936932 /nfs/dbraw/zinc/93/69/32/556936932.db2.gz SIMSPAZRQXQDRW-HSZRJFAPSA-N 0 0 436.577 4.993 50 0 IJAARN Cc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1 ZINC000019898607 556941090 /nfs/dbraw/zinc/94/10/90/556941090.db2.gz JGUWZADSVGQUBW-OAQYLSRUSA-N 0 0 433.895 4.645 50 0 IJAARN O=C(C[C@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019962093 556955652 /nfs/dbraw/zinc/95/56/52/556955652.db2.gz BMMDXKANJQLILA-DEOSSOPVSA-N 0 0 442.563 4.564 50 0 IJAARN COC(=O)C[C@@H](N[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccc(C)cc1C ZINC000020058059 556975359 /nfs/dbraw/zinc/97/53/59/556975359.db2.gz ULHXJLRJVKEGRM-RSXGOPAZSA-N 0 0 446.522 4.991 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)c1 ZINC000033266725 556978061 /nfs/dbraw/zinc/97/80/61/556978061.db2.gz XUHWEQNMYBBGEV-UHFFFAOYSA-N 0 0 429.499 4.699 50 0 IJAARN CCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000097112918 556989787 /nfs/dbraw/zinc/98/97/87/556989787.db2.gz AQKNHWUFNKURIF-CQSZACIVSA-N 0 0 428.334 4.544 50 0 IJAARN CCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000097112920 556989829 /nfs/dbraw/zinc/98/98/29/556989829.db2.gz AQKNHWUFNKURIF-AWEZNQCLSA-N 0 0 428.334 4.544 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097123066 556990848 /nfs/dbraw/zinc/99/08/48/556990848.db2.gz JOEJFJDCBPOWAY-INIZCTEOSA-N 0 0 437.297 4.541 50 0 IJAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000020192891 556996666 /nfs/dbraw/zinc/99/66/66/556996666.db2.gz GWRKDIQQZWKEPJ-OAQYLSRUSA-N 0 0 427.545 4.686 50 0 IJAARN COc1cccc(OC)c1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020274534 557005015 /nfs/dbraw/zinc/00/50/15/557005015.db2.gz XZXQGNKSFAUZPC-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000020353764 557009740 /nfs/dbraw/zinc/00/97/40/557009740.db2.gz YUUXTBFTRDLRJF-JOCHJYFZSA-N 0 0 449.457 4.639 50 0 IJAARN COc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1N1CCCC1=O ZINC000011259382 557009994 /nfs/dbraw/zinc/00/99/94/557009994.db2.gz ZLFCWYXDJRZSSD-UHFFFAOYSA-N 0 0 434.467 4.792 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC[C@H]2C)c2ccccc23)cc1 ZINC000020355979 557010089 /nfs/dbraw/zinc/01/00/89/557010089.db2.gz VSDLBBGLFPGCSD-QGZVFWFLSA-N 0 0 449.580 4.613 50 0 IJAARN COc1cc(NC(=O)COc2ccccc2C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022590347 557010315 /nfs/dbraw/zinc/01/03/15/557010315.db2.gz BRKRIQMKFQYRIB-UHFFFAOYSA-N 0 0 445.924 4.507 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3nc2-c2cscn2)c(OC)c1 ZINC000011261846 557013993 /nfs/dbraw/zinc/01/39/93/557013993.db2.gz WRVOWSQJEMNJCD-FQEVSTJZSA-N 0 0 448.548 4.541 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1cc(Cl)ccc1O2)Nc1ccccc1F ZINC000045994504 557014807 /nfs/dbraw/zinc/01/48/07/557014807.db2.gz NQHVHBXQFDCDSA-UHFFFAOYSA-N 0 0 449.869 4.767 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc(C)c12 ZINC000045995542 557015530 /nfs/dbraw/zinc/01/55/30/557015530.db2.gz YVCLNTOYVNUROI-UHFFFAOYSA-N 0 0 445.910 4.586 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)NCc2ccc(C)cc2)cc3C)cc1 ZINC000045990665 557016403 /nfs/dbraw/zinc/01/64/03/557016403.db2.gz GKOBRHHSSLHWQU-UHFFFAOYSA-N 0 0 428.536 4.603 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)nn1-c1ccccc1F ZINC000072021568 557021022 /nfs/dbraw/zinc/02/10/22/557021022.db2.gz HIRPNBUWCUEVGW-UHFFFAOYSA-N 0 0 441.890 4.907 50 0 IJAARN Clc1cccc(N2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)c1 ZINC000046022783 557022558 /nfs/dbraw/zinc/02/25/58/557022558.db2.gz DEJAYQVSGITVNG-UHFFFAOYSA-N 0 0 444.970 4.650 50 0 IJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@@H](C)S2 ZINC000032944005 557022814 /nfs/dbraw/zinc/02/28/14/557022814.db2.gz NUEWYMUBXKVOJQ-CYBMUJFWSA-N 0 0 436.986 4.686 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)N[C@H](C)CCc3ccccc3)cc(C)c12 ZINC000046016790 557023322 /nfs/dbraw/zinc/02/33/22/557023322.db2.gz BMUZMVJNHHNUDS-LJQANCHMSA-N 0 0 428.536 4.554 50 0 IJAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043828 557025546 /nfs/dbraw/zinc/02/55/46/557025546.db2.gz LLBIQWHPENRHLK-ZDUSSCGKSA-N 0 0 428.813 4.989 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010810847 557028587 /nfs/dbraw/zinc/02/85/87/557028587.db2.gz MRIPBVLUZUGIBB-HXUWFJFHSA-N 0 0 442.968 4.768 50 0 IJAARN Cc1nn(-c2ccc(C)cc2C)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046056901 557028733 /nfs/dbraw/zinc/02/87/33/557028733.db2.gz GLZSFUALYMFNCN-KRWDZBQOSA-N 0 0 438.325 4.869 50 0 IJAARN CCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000046073618 557029827 /nfs/dbraw/zinc/02/98/27/557029827.db2.gz WNTWFCCQZGHLAA-UHFFFAOYSA-N 0 0 446.594 4.511 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000046077460 557033082 /nfs/dbraw/zinc/03/30/82/557033082.db2.gz AGKHFFQZZUBAIB-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN CN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077639 557033263 /nfs/dbraw/zinc/03/32/63/557033263.db2.gz RQSNLZPMHHMLEC-UHFFFAOYSA-N 0 0 434.926 4.580 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079567 557034681 /nfs/dbraw/zinc/03/46/81/557034681.db2.gz RLNXJISECNVENZ-UHFFFAOYSA-N 0 0 431.511 4.631 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)c3cccs3)C2)s1 ZINC000046122752 557036237 /nfs/dbraw/zinc/03/62/37/557036237.db2.gz DHYPOQBBKVEOBK-LBPRGKRZSA-N 0 0 432.958 4.525 50 0 IJAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122761 557036545 /nfs/dbraw/zinc/03/65/45/557036545.db2.gz LNZMOBOHKFJMEE-OAHLLOKOSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 ZINC000046123137 557036932 /nfs/dbraw/zinc/03/69/32/557036932.db2.gz NYXPZBQOOUWWFC-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000017245867 557044392 /nfs/dbraw/zinc/04/43/92/557044392.db2.gz YDTNPKICYURNTJ-UHFFFAOYSA-N 0 0 444.984 4.527 50 0 IJAARN C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181357 557045370 /nfs/dbraw/zinc/04/53/70/557045370.db2.gz JEKIDGXLWNNTSW-FDDCHVKYSA-N 0 0 429.605 4.836 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1 ZINC000017288003 557045598 /nfs/dbraw/zinc/04/55/98/557045598.db2.gz IKPWDRRZBMRSTH-UHFFFAOYSA-N 0 0 431.583 4.703 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 ZINC000017297080 557047124 /nfs/dbraw/zinc/04/71/24/557047124.db2.gz KNNQJYUXJVPKCA-UHFFFAOYSA-N 0 0 429.548 4.839 50 0 IJAARN CCCCn1nc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2c1=O ZINC000048236705 557047626 /nfs/dbraw/zinc/04/76/26/557047626.db2.gz JJMGHUXTWACLRV-GOSISDBHSA-N 0 0 427.957 4.817 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C2CC2)cc1 ZINC000033273922 557053229 /nfs/dbraw/zinc/05/32/29/557053229.db2.gz RXVZDDMBFYWEIJ-UHFFFAOYSA-N 0 0 444.560 4.776 50 0 IJAARN O=C(CSc1nc(N2CCc3ccccc3C2)nc2ccccc21)NCc1ccccc1 ZINC000033274077 557053247 /nfs/dbraw/zinc/05/32/47/557053247.db2.gz GBJYRZWDOTWGHU-UHFFFAOYSA-N 0 0 440.572 4.601 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 ZINC000048291109 557055818 /nfs/dbraw/zinc/05/58/18/557055818.db2.gz HTULIJRJEGOEDP-UHFFFAOYSA-N 0 0 441.466 4.918 50 0 IJAARN Cc1cc(Sc2ccc(NC(=O)c3ccccc3Br)cc2)n2ncnc2n1 ZINC000033275942 557055811 /nfs/dbraw/zinc/05/58/11/557055811.db2.gz RLJXFUCJUJDBQE-UHFFFAOYSA-N 0 0 440.326 4.599 50 0 IJAARN CCOc1ccc(NC(=O)N[C@H](Cc2ccc(OC)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948747 557057828 /nfs/dbraw/zinc/05/78/28/557057828.db2.gz CYVKKTPPSHLSAC-OAQYLSRUSA-N 0 0 448.519 4.798 50 0 IJAARN Cc1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)n(C2CCCC2)c1C ZINC000023043579 557059405 /nfs/dbraw/zinc/05/94/05/557059405.db2.gz AOHXTBJHFFYUOW-QHCPKHFHSA-N 0 0 443.613 4.992 50 0 IJAARN O=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccccc2)CC1 ZINC000033279096 557061060 /nfs/dbraw/zinc/06/10/60/557061060.db2.gz NHGNLGDRFHQCPW-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN COc1c(Cl)cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1Cl ZINC000023081018 557062734 /nfs/dbraw/zinc/06/27/34/557062734.db2.gz ZNCQZXCQSHOECS-UHFFFAOYSA-N 0 0 438.336 4.701 50 0 IJAARN COc1ccc([C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C2CC2)cc1 ZINC000048301841 557063061 /nfs/dbraw/zinc/06/30/61/557063061.db2.gz SMJUXHQGCZZCRQ-NRFANRHFSA-N 0 0 449.473 4.823 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c(Cl)c1 ZINC000033287430 557064624 /nfs/dbraw/zinc/06/46/24/557064624.db2.gz SHYCNAPIZKQVSZ-UHFFFAOYSA-N 0 0 432.911 4.765 50 0 IJAARN COc1cc2c(cc1OC)CN([C@H](C)c1nc(-c3cccc(C(F)(F)F)c3)no1)CC2 ZINC000048324956 557065647 /nfs/dbraw/zinc/06/56/47/557065647.db2.gz USMPVUNRHXOYGJ-CYBMUJFWSA-N 0 0 433.430 4.892 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)c1 ZINC000033288697 557065765 /nfs/dbraw/zinc/06/57/65/557065765.db2.gz GONUIQRGZVOWCU-JOCHJYFZSA-N 0 0 446.620 4.902 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290430 557068785 /nfs/dbraw/zinc/06/87/85/557068785.db2.gz XZYNAAWXUGVFKU-UHFFFAOYSA-N 0 0 438.890 4.701 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290513 557068833 /nfs/dbraw/zinc/06/88/33/557068833.db2.gz IXHMQPWOGFIVQB-OAHLLOKOSA-N 0 0 438.890 4.701 50 0 IJAARN COc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 ZINC000048340174 557070238 /nfs/dbraw/zinc/07/02/38/557070238.db2.gz IYDULPRDFLCZRK-NHCUHLMSSA-N 0 0 433.577 4.704 50 0 IJAARN CC(C)(C)C(=O)Nc1cccc(C(=O)NC2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000048341901 557070884 /nfs/dbraw/zinc/07/08/84/557070884.db2.gz YVIIZRJJMUEACQ-UHFFFAOYSA-N 0 0 436.581 4.680 50 0 IJAARN O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)N(Cc1ccccn1)C1CC1 ZINC000048342390 557071100 /nfs/dbraw/zinc/07/11/00/557071100.db2.gz DJVJGSLBWSFKLO-UHFFFAOYSA-N 0 0 449.514 4.939 50 0 IJAARN COc1cc(CCC2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc(OC)c1 ZINC000048353844 557072348 /nfs/dbraw/zinc/07/23/48/557072348.db2.gz VPNASCZXBXCXKN-UHFFFAOYSA-N 0 0 449.551 4.558 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033296680 557072609 /nfs/dbraw/zinc/07/26/09/557072609.db2.gz MFJGMPUYNSWXAC-UHFFFAOYSA-N 0 0 432.524 4.588 50 0 IJAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3F)c2)n1 ZINC000033297808 557073529 /nfs/dbraw/zinc/07/35/29/557073529.db2.gz JGPNZPLQZWZKPO-UHFFFAOYSA-N 0 0 428.551 4.926 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1OC ZINC000017364663 557074307 /nfs/dbraw/zinc/07/43/07/557074307.db2.gz YQIBSNXQJOWNDN-UHFFFAOYSA-N 0 0 440.931 4.567 50 0 IJAARN CC1CCN(C(=O)[C@@H](NCC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC000048365923 557075002 /nfs/dbraw/zinc/07/50/02/557075002.db2.gz DQNXPGSGSGJXJR-NRFANRHFSA-N 0 0 434.367 4.521 50 0 IJAARN CC1CCC(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)CC1 ZINC000048991316 557080782 /nfs/dbraw/zinc/08/07/82/557080782.db2.gz ZDQKUVGYOUHZEM-UHFFFAOYSA-N 0 0 426.991 4.535 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@]1(C)CC1(Cl)Cl)CC2 ZINC000023260257 557080905 /nfs/dbraw/zinc/08/09/05/557080905.db2.gz SDLJZYLCKFZZOU-IEBWSBKVSA-N 0 0 426.365 4.823 50 0 IJAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1=O ZINC000048989616 557083327 /nfs/dbraw/zinc/08/33/27/557083327.db2.gz UCUXJPBJDCYACX-UHFFFAOYSA-N 0 0 440.425 4.542 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000049004907 557083938 /nfs/dbraw/zinc/08/39/38/557083938.db2.gz MQIWYZPLYSLSCA-UHFFFAOYSA-N 0 0 448.470 4.769 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005193 557084275 /nfs/dbraw/zinc/08/42/75/557084275.db2.gz JOFCZDSJMWUHQZ-KRWDZBQOSA-N 0 0 432.524 4.873 50 0 IJAARN CC(=O)Oc1cccc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1C ZINC000023331737 557084366 /nfs/dbraw/zinc/08/43/66/557084366.db2.gz GEACHYYYPTVOBQ-UHFFFAOYSA-N 0 0 439.899 4.644 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2)CC1 ZINC000049006030 557084813 /nfs/dbraw/zinc/08/48/13/557084813.db2.gz XRIGHBRRNQATHD-QHCPKHFHSA-N 0 0 428.536 4.923 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4cccc(N(C)C)c4)cc3)o2)cc1 ZINC000033308301 557088564 /nfs/dbraw/zinc/08/85/64/557088564.db2.gz AYIFXJBZKXWTNK-UHFFFAOYSA-N 0 0 444.491 4.643 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760130 557090418 /nfs/dbraw/zinc/09/04/18/557090418.db2.gz YEFNHDWBEHEITJ-FGZHOGPDSA-N 0 0 442.581 4.515 50 0 IJAARN CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 ZINC000023411278 557091196 /nfs/dbraw/zinc/09/11/96/557091196.db2.gz NYMITNDCIGDJCA-HSZRJFAPSA-N 0 0 439.519 4.671 50 0 IJAARN COc1cc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)c(OC)cc1Cl ZINC000049004635 557092837 /nfs/dbraw/zinc/09/28/37/557092837.db2.gz GNIPKWIUQHAHFB-UHFFFAOYSA-N 0 0 426.904 4.588 50 0 IJAARN CCN1c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2[S@](=O)c2ccccc2C1=O ZINC000033313855 557098231 /nfs/dbraw/zinc/09/82/31/557098231.db2.gz KRSCSLBMHMDHNJ-KTBRYMIGSA-N 0 0 444.556 4.641 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000049403431 557098791 /nfs/dbraw/zinc/09/87/91/557098791.db2.gz NSQSPCOFPSIGLY-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN C=Cc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405217 557100622 /nfs/dbraw/zinc/10/06/22/557100622.db2.gz OOASQDJTEZOWMB-UHFFFAOYSA-N 0 0 438.940 4.730 50 0 IJAARN O=C(c1cc2ccccc2s1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147545 557105105 /nfs/dbraw/zinc/10/51/05/557105105.db2.gz NIZBARYNUZVHEF-UHFFFAOYSA-N 0 0 447.535 4.817 50 0 IJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2cccc(C)c2)n1 ZINC000033325087 557107214 /nfs/dbraw/zinc/10/72/14/557107214.db2.gz ZCPFLYZEGUFBSD-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccc(C)cc3)n2)cc1 ZINC000033325062 557107230 /nfs/dbraw/zinc/10/72/30/557107230.db2.gz BOSXYUJPBHLAGI-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000049544968 557111043 /nfs/dbraw/zinc/11/10/43/557111043.db2.gz MBSRLCPXVGFIJF-HSZRJFAPSA-N 0 0 436.552 4.613 50 0 IJAARN C[C@H](CN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000033331695 557115553 /nfs/dbraw/zinc/11/55/53/557115553.db2.gz JYUSUGIGTOOWRQ-CRICUBBOSA-N 0 0 435.593 4.780 50 0 IJAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000033332983 557117825 /nfs/dbraw/zinc/11/78/25/557117825.db2.gz XPDUBGXMXGLPBE-KGENOOAVSA-N 0 0 435.321 4.536 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000113626160 557118786 /nfs/dbraw/zinc/11/87/86/557118786.db2.gz NTCMXMIZSLFGBO-SFTDATJTSA-N 0 0 434.561 4.744 50 0 IJAARN Cc1ccc(C)c(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1 ZINC000001181021 557120067 /nfs/dbraw/zinc/12/00/67/557120067.db2.gz PSNAMJLYZFLNPN-UHFFFAOYSA-N 0 0 444.725 4.688 50 0 IJAARN O=C(Nc1c(Br)cc(Br)cc1Br)c1cscn1 ZINC000062658559 557123009 /nfs/dbraw/zinc/12/30/09/557123009.db2.gz BJUWWDWQEGJMDN-UHFFFAOYSA-N 0 0 440.942 4.683 50 0 IJAARN Brc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000633939 557123455 /nfs/dbraw/zinc/12/34/55/557123455.db2.gz VBJCFRBXAOWCOU-HOTGVXAUSA-N 0 0 434.135 4.949 50 0 IJAARN COc1cc(OC)c(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC000000643687 557124222 /nfs/dbraw/zinc/12/42/22/557124222.db2.gz QKYWWPZJJJPBQM-UKILVPOCSA-N 0 0 447.487 4.548 50 0 IJAARN CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CCO1 ZINC000023893995 557124230 /nfs/dbraw/zinc/12/42/30/557124230.db2.gz ZIZVXLYKYHTUSI-NRFANRHFSA-N 0 0 444.510 4.537 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC3=CCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799719 557127138 /nfs/dbraw/zinc/12/71/38/557127138.db2.gz XCSPYCRZVXQNDO-AOYPEHQESA-N 0 0 448.563 4.805 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)c1 ZINC000000673919 557133376 /nfs/dbraw/zinc/13/33/76/557133376.db2.gz JFAOHFRJMNEERR-ZNOIYHFQSA-N 0 0 430.430 4.849 50 0 IJAARN COc1cc(NC(=O)c2cc(Br)cc(C)c2OC)ccc1NC(=O)C(C)C ZINC000002860502 557133738 /nfs/dbraw/zinc/13/37/38/557133738.db2.gz JWDZNQNHUNFGIE-UHFFFAOYSA-N 0 0 435.318 4.622 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000002978901 557134413 /nfs/dbraw/zinc/13/44/13/557134413.db2.gz GVTXKUYKROARIU-RCCKNPSSSA-N 0 0 427.456 4.957 50 0 IJAARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)nc1-c1ccc(F)cc1 ZINC000024764349 557136105 /nfs/dbraw/zinc/13/61/05/557136105.db2.gz QLPRFNGULLMSOU-SFHVURJKSA-N 0 0 425.485 4.627 50 0 IJAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1SC(=S)N1C[C@@H](C)O[C@@H](C)C1 ZINC000017991138 557136124 /nfs/dbraw/zinc/13/61/24/557136124.db2.gz WANRXLSBXQMZLB-OCAPTIKFSA-N 0 0 443.805 4.705 50 0 IJAARN O=C(NCCOc1ccccc1F)Nc1cccc(NCCOc2ccccc2F)c1 ZINC000003145061 557143900 /nfs/dbraw/zinc/14/39/00/557143900.db2.gz STHNFUOIQGPDMK-UHFFFAOYSA-N 0 0 427.451 4.656 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000024385772 557146064 /nfs/dbraw/zinc/14/60/64/557146064.db2.gz WNGIRPJNHRFGAO-SFHVURJKSA-N 0 0 429.586 4.997 50 0 IJAARN COc1ccc(-c2cc(CSc3nnc(N4CCC(C)CC4)n3C3CC3)on2)cc1 ZINC000011424708 557146347 /nfs/dbraw/zinc/14/63/47/557146347.db2.gz ZCHKYDWHDCVGHZ-UHFFFAOYSA-N 0 0 425.558 4.805 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1cccs1 ZINC000009489451 557146976 /nfs/dbraw/zinc/14/69/76/557146976.db2.gz PQQYSVSNHZFDDV-HXUWFJFHSA-N 0 0 434.517 4.682 50 0 IJAARN c1[nH]c2ccccc2c1-c1nnc(SCCCc2nc(-c3ccncc3)no2)n1C1CC1 ZINC000014729524 557150349 /nfs/dbraw/zinc/15/03/49/557150349.db2.gz WIVFAACGHPXFJM-UHFFFAOYSA-N 0 0 443.536 4.931 50 0 IJAARN CCCN(Cc1csc(N(C(C)=O)c2ccccc2)n1)Cc1nnc(-c2ccco2)o1 ZINC000024574415 557151357 /nfs/dbraw/zinc/15/13/57/557151357.db2.gz CMCXWMQYNGLGHR-UHFFFAOYSA-N 0 0 437.525 4.883 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607762 557153705 /nfs/dbraw/zinc/15/37/05/557153705.db2.gz JIWWBBJAZPYQDU-UHFFFAOYSA-N 0 0 430.888 4.602 50 0 IJAARN Ic1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095802923 557160963 /nfs/dbraw/zinc/16/09/63/557160963.db2.gz QNCJCRXIYSCNSK-UHFFFAOYSA-N 0 0 437.284 4.723 50 0 IJAARN O=C(OC[C@@H]1CO[C@@](Br)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000096034745 557163340 /nfs/dbraw/zinc/16/33/40/557163340.db2.gz DAMDRNVINBXSOD-DYVFJYSZSA-N 0 0 432.097 4.771 50 0 IJAARN CN(CC(=O)Nc1ccccc1-c1cccs1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000024780103 557167453 /nfs/dbraw/zinc/16/74/53/557167453.db2.gz LTZCWTAICGGMPM-UHFFFAOYSA-N 0 0 436.558 4.828 50 0 IJAARN CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009327843 557187006 /nfs/dbraw/zinc/18/70/06/557187006.db2.gz FIBVXQCGBBTKHM-UHFFFAOYSA-N 0 0 425.510 4.900 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000024989346 557187318 /nfs/dbraw/zinc/18/73/18/557187318.db2.gz GJWNZHCJSYEVBX-PKTZIBPZSA-N 0 0 443.591 4.611 50 0 IJAARN COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCOCC2)cc1 ZINC000098003017 557189133 /nfs/dbraw/zinc/18/91/33/557189133.db2.gz ZSFOZMSGGCTKJZ-CIJMEZBMSA-N 0 0 428.532 4.839 50 0 IJAARN Cc1cc(Br)c(NC(=O)CSc2n[nH]c(-c3ccccc3C)n2)cc1C ZINC000009699429 557191718 /nfs/dbraw/zinc/19/17/18/557191718.db2.gz DKTZZFJGMCYBJU-UHFFFAOYSA-N 0 0 431.359 4.890 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccncc1 ZINC000009667603 557192505 /nfs/dbraw/zinc/19/25/05/557192505.db2.gz ISACIIQUGYDTSQ-UHFFFAOYSA-N 0 0 436.566 4.523 50 0 IJAARN C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cccc(C(F)(F)F)c1 ZINC000072232395 557194562 /nfs/dbraw/zinc/19/45/62/557194562.db2.gz OSOZIODPNZNVSW-JTQLQIEISA-N 0 0 440.256 4.788 50 0 IJAARN CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)N(C)Cc2cc(C)on2)c1=S ZINC000025137331 557196232 /nfs/dbraw/zinc/19/62/32/557196232.db2.gz RPAWKWHLWDZNMZ-UHFFFAOYSA-N 0 0 447.992 4.880 50 0 IJAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000100873151 557196222 /nfs/dbraw/zinc/19/62/22/557196222.db2.gz QGEXGHAYWNTUQE-XDOYNYLZSA-N 0 0 432.954 4.967 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n1-c1ccccc1 ZINC000100888073 557198276 /nfs/dbraw/zinc/19/82/76/557198276.db2.gz WXMFMYJRMROZTD-CQSZACIVSA-N 0 0 444.516 4.866 50 0 IJAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000025185950 557199395 /nfs/dbraw/zinc/19/93/95/557199395.db2.gz LCJVTHQWOCCNTE-UHFFFAOYSA-N 0 0 448.903 4.569 50 0 IJAARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100943481 557203366 /nfs/dbraw/zinc/20/33/66/557203366.db2.gz UXQUZXKOZPXCFG-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN O=C(COC(=O)CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000025394074 557207573 /nfs/dbraw/zinc/20/75/73/557207573.db2.gz VFAUZXWZFQBAGQ-UHFFFAOYSA-N 0 0 439.515 4.629 50 0 IJAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)Nc1ccccc1)C2 ZINC000169677635 557209857 /nfs/dbraw/zinc/20/98/57/557209857.db2.gz HRQKTIVWAJOMSF-AZGAKELHSA-N 0 0 427.548 4.510 50 0 IJAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000025458364 557211271 /nfs/dbraw/zinc/21/12/71/557211271.db2.gz REPBKLUUAVXFMY-DEOSSOPVSA-N 0 0 445.588 4.554 50 0 IJAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000025579578 557216063 /nfs/dbraw/zinc/21/60/63/557216063.db2.gz NILJCKULXNOTME-AWEZNQCLSA-N 0 0 428.788 4.895 50 0 IJAARN Cc1ccc(C)n1-c1sccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025606329 557218680 /nfs/dbraw/zinc/21/86/80/557218680.db2.gz HWCFBILTTJXVKI-UHFFFAOYSA-N 0 0 434.487 4.532 50 0 IJAARN COc1ccc2nc(C)c(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cc2c1 ZINC000025768989 557225182 /nfs/dbraw/zinc/22/51/82/557225182.db2.gz VZAAWLJPSMSUTG-SFHVURJKSA-N 0 0 433.533 4.987 50 0 IJAARN O=C(NC1CCCCCC1)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1Cl ZINC000005670842 557230990 /nfs/dbraw/zinc/23/09/90/557230990.db2.gz LWIMDPULUFIJAU-UHFFFAOYSA-N 0 0 427.010 4.794 50 0 IJAARN Cc1c(NC(=O)Cc2c[nH]c3ccccc23)cccc1C(=O)N1CCc2sccc2C1 ZINC000026045002 557232626 /nfs/dbraw/zinc/23/26/26/557232626.db2.gz SOCAGLCWLBLZNP-UHFFFAOYSA-N 0 0 429.545 4.918 50 0 IJAARN Cc1c(NC(=O)Cc2noc3ccccc32)cccc1C(=O)N1CCc2sccc2C1 ZINC000026053982 557232879 /nfs/dbraw/zinc/23/28/79/557232879.db2.gz GXBAYPKGQNUINY-UHFFFAOYSA-N 0 0 431.517 4.577 50 0 IJAARN COc1cc(OC)cc(-c2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3o2)c1 ZINC000098086943 557233711 /nfs/dbraw/zinc/23/37/11/557233711.db2.gz XIVHNGVTEHKQIW-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089778 557233865 /nfs/dbraw/zinc/23/38/65/557233865.db2.gz JVCIZZHFQZDGKN-QGZVFWFLSA-N 0 0 449.601 4.677 50 0 IJAARN CCc1ccc(N(C)S(=O)(=O)c2c(-c3cccc(F)c3)csc2C(=O)OC)cc1 ZINC000098212006 557235516 /nfs/dbraw/zinc/23/55/16/557235516.db2.gz GQTMZNVFNNNIDT-UHFFFAOYSA-N 0 0 433.526 4.728 50 0 IJAARN CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000098212679 557235644 /nfs/dbraw/zinc/23/56/44/557235644.db2.gz BWRSMSVZDLRNJJ-UHFFFAOYSA-N 0 0 442.869 4.873 50 0 IJAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000026132425 557236062 /nfs/dbraw/zinc/23/60/62/557236062.db2.gz GQECYFKHUOEITQ-FQEVSTJZSA-N 0 0 443.544 4.886 50 0 IJAARN O=C1C[C@@H](SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100155440 557244037 /nfs/dbraw/zinc/24/40/37/557244037.db2.gz PJXDGPNTHNOIQZ-OAHLLOKOSA-N 0 0 439.846 4.800 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000018191193 557246331 /nfs/dbraw/zinc/24/63/31/557246331.db2.gz SRHOAMHBVMHBPC-UHFFFAOYSA-N 0 0 434.348 4.707 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000026923048 557251355 /nfs/dbraw/zinc/25/13/55/557251355.db2.gz KLAUGHGMRLEGDQ-CYFREDJKSA-N 0 0 435.527 4.931 50 0 IJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)s2)c1C ZINC000027029141 557255871 /nfs/dbraw/zinc/25/58/71/557255871.db2.gz SLUUIVWHXMDZSU-KRWDZBQOSA-N 0 0 426.567 4.631 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000027314891 557260166 /nfs/dbraw/zinc/26/01/66/557260166.db2.gz KVDBKKACWVJNFG-UHFFFAOYSA-N 0 0 431.870 4.540 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000027360492 557261317 /nfs/dbraw/zinc/26/13/17/557261317.db2.gz AZMSWUIGVDMMJY-FQEVSTJZSA-N 0 0 446.532 4.568 50 0 IJAARN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(OCC(C)C)c(Cl)c3)C2=O)c1 ZINC000072271419 557263099 /nfs/dbraw/zinc/26/30/99/557263099.db2.gz BNTCZYMRXHSJPP-LJQANCHMSA-N 0 0 443.931 4.527 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(C)c(Cl)c2)cc1 ZINC000027570610 557265854 /nfs/dbraw/zinc/26/58/54/557265854.db2.gz XADQFNMOAAIAOL-UHFFFAOYSA-N 0 0 434.989 4.555 50 0 IJAARN CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000821437 557268109 /nfs/dbraw/zinc/26/81/09/557268109.db2.gz JWIXPQKRHJSEEJ-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN COC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000000822208 557268595 /nfs/dbraw/zinc/26/85/95/557268595.db2.gz NBHFVCDRCAASSB-QGZVFWFLSA-N 0 0 447.771 4.562 50 0 IJAARN Clc1ccccc1[C@H]1CC(c2ccc(I)cc2)=Nc2ncnn21 ZINC000100716883 557271056 /nfs/dbraw/zinc/27/10/56/557271056.db2.gz IHDYJEZGSWTDDA-MRXNPFEDSA-N 0 0 434.668 4.592 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3sc(C)c(CC)c3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000027771896 557273405 /nfs/dbraw/zinc/27/34/05/557273405.db2.gz WBYKHUAYPUHQPA-KGLIPLIRSA-N 0 0 448.614 4.697 50 0 IJAARN Cc1cccc(-n2c(CNc3ccccc3)nnc2SCC(=O)NC2CCCC2)c1C ZINC000027753280 557273427 /nfs/dbraw/zinc/27/34/27/557273427.db2.gz UVYUDHSHBVLISY-UHFFFAOYSA-N 0 0 435.597 4.647 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@H]1c1ccc(C)cc1C ZINC000101368251 557277988 /nfs/dbraw/zinc/27/79/88/557277988.db2.gz VSDBFIYBKASYAF-ZHRRBRCNSA-N 0 0 441.597 4.746 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NCC(C)C)=CSC2=N1 ZINC000101401365 557280190 /nfs/dbraw/zinc/28/01/90/557280190.db2.gz QOPHWJXVICEWJX-JOCHJYFZSA-N 0 0 441.597 4.604 50 0 IJAARN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100988507 557280824 /nfs/dbraw/zinc/28/08/24/557280824.db2.gz WSUYZKKZUFCZQB-IRXDYDNUSA-N 0 0 430.287 4.806 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NC(C)C)=CSC2=N1 ZINC000101387172 557282182 /nfs/dbraw/zinc/28/21/82/557282182.db2.gz OGELSNQFGMXFFN-JOCHJYFZSA-N 0 0 441.597 4.863 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000101388863 557282712 /nfs/dbraw/zinc/28/27/12/557282712.db2.gz ZTMCOOPCDYIZSL-QFIPXVFZSA-N 0 0 441.597 4.720 50 0 IJAARN Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C(C)C ZINC000101583326 557291075 /nfs/dbraw/zinc/29/10/75/557291075.db2.gz QVRLPWKQPAAKED-HSZRJFAPSA-N 0 0 437.543 4.835 50 0 IJAARN CC[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000014068872 557297393 /nfs/dbraw/zinc/29/73/93/557297393.db2.gz GCGCHJVCXPBXPT-INIZCTEOSA-N 0 0 435.391 4.613 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000102071001 557298385 /nfs/dbraw/zinc/29/83/85/557298385.db2.gz AHBMUDLOQLFHKT-ZNOIYHFQSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1cccc(CNC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023324946 557302355 /nfs/dbraw/zinc/30/23/55/557302355.db2.gz JHXSECGOWWOVPY-UHFFFAOYSA-N 0 0 435.518 4.890 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccsc2)c1 ZINC000014095879 557302665 /nfs/dbraw/zinc/30/26/65/557302665.db2.gz KCORVUQELBASGQ-UHFFFAOYSA-N 0 0 444.578 4.543 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cccc(Cl)c3)C(=O)C2)cc1 ZINC000101880764 557304973 /nfs/dbraw/zinc/30/49/73/557304973.db2.gz JEHWOGHWLGUZHH-UHFFFAOYSA-N 0 0 432.911 4.794 50 0 IJAARN O=C(CN1c2ncccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccc2c(c1)CCC2 ZINC000101881030 557305144 /nfs/dbraw/zinc/30/51/44/557305144.db2.gz PRQGZTRJNFGPEQ-UHFFFAOYSA-N 0 0 444.922 4.720 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@H]3C2=O)c(Br)c1 ZINC000101945836 557308161 /nfs/dbraw/zinc/30/81/61/557308161.db2.gz HILQYERLIZZNKN-CQSZACIVSA-N 0 0 426.314 4.615 50 0 IJAARN COc1ccc(C)cc1CSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000014170177 557313477 /nfs/dbraw/zinc/31/34/77/557313477.db2.gz MHSJEEADMXRPEU-QGZVFWFLSA-N 0 0 430.957 4.838 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1C ZINC000014201624 557317532 /nfs/dbraw/zinc/31/75/32/557317532.db2.gz CRPYATGGLQDKJD-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)c1 ZINC000033025372 557321240 /nfs/dbraw/zinc/32/12/40/557321240.db2.gz RYHZDXXADXXYLZ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN COc1ccc(CNC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023328688 557338289 /nfs/dbraw/zinc/33/82/89/557338289.db2.gz BGPFWJLHBICJBR-RUZDIDTESA-N 0 0 449.982 4.965 50 0 IJAARN CCCCOCCCNC(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023330273 557340891 /nfs/dbraw/zinc/34/08/91/557340891.db2.gz APZHLPQNOFURMR-UHFFFAOYSA-N 0 0 433.552 4.788 50 0 IJAARN Cc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)cc1 ZINC000102531170 557343375 /nfs/dbraw/zinc/34/33/75/557343375.db2.gz JKUXUTRYDNUWFN-UHFFFAOYSA-N 0 0 425.532 4.786 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCc3ccccc3)C(=O)C2)c(C)c1 ZINC000102531188 557343499 /nfs/dbraw/zinc/34/34/99/557343499.db2.gz XNOWDCAJMLSCBL-UHFFFAOYSA-N 0 0 425.532 4.520 50 0 IJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2Cl)cc1OC ZINC000014610753 557345108 /nfs/dbraw/zinc/34/51/08/557345108.db2.gz WZIPIQMZFFECAF-UHFFFAOYSA-N 0 0 438.871 4.509 50 0 IJAARN C[C@H]1CN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)C[C@H](C)O1 ZINC000023334648 557349343 /nfs/dbraw/zinc/34/93/43/557349343.db2.gz WRSPNCADXZOABG-PMACEKPBSA-N 0 0 444.579 4.983 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 ZINC000023424734 557353478 /nfs/dbraw/zinc/35/34/78/557353478.db2.gz DNRRFAWYLRYJFL-UHFFFAOYSA-N 0 0 449.526 4.960 50 0 IJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023432304 557355513 /nfs/dbraw/zinc/35/55/13/557355513.db2.gz QDPCKGYGMMYNKU-VWLOTQADSA-N 0 0 438.568 4.538 50 0 IJAARN Cc1nnsc1C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023432369 557355805 /nfs/dbraw/zinc/35/58/05/557355805.db2.gz OZIILKJWLRSTHS-UHFFFAOYSA-N 0 0 447.391 4.701 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023448967 557356316 /nfs/dbraw/zinc/35/63/16/557356316.db2.gz GWAPBPNTSYKARH-UHFFFAOYSA-N 0 0 425.488 4.753 50 0 IJAARN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023450917 557356835 /nfs/dbraw/zinc/35/68/35/557356835.db2.gz LOPPSFXNFVESLM-UHFFFAOYSA-N 0 0 429.451 4.584 50 0 IJAARN Cc1ccc2c(c1)oc(=O)n2C1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1 ZINC000023440896 557357899 /nfs/dbraw/zinc/35/78/99/557357899.db2.gz CDJACBWWODNJNT-UHFFFAOYSA-N 0 0 438.483 4.592 50 0 IJAARN CC(=O)N(c1nc(CSc2ncnc3c2cnn3C)cs1)c1c(C)cc(C)cc1C ZINC000011683334 557366459 /nfs/dbraw/zinc/36/64/59/557366459.db2.gz YCVRPCKRUHELHS-UHFFFAOYSA-N 0 0 438.582 4.722 50 0 IJAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000220787572 557366834 /nfs/dbraw/zinc/36/68/34/557366834.db2.gz XYPYXOGONRTOEU-GOSISDBHSA-N 0 0 447.564 4.696 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@H](/C=C/c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102712376 557374031 /nfs/dbraw/zinc/37/40/31/557374031.db2.gz UAQNUKKWBAOTLT-MSLBUBIESA-N 0 0 428.492 4.906 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102743958 557377048 /nfs/dbraw/zinc/37/70/48/557377048.db2.gz YPXKOARMYJJBTQ-CCDWMCETSA-N 0 0 437.499 4.836 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102738885 557380126 /nfs/dbraw/zinc/38/01/26/557380126.db2.gz GKMTWSNGBRALMJ-SZNDQCEHSA-N 0 0 448.479 4.724 50 0 IJAARN COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 ZINC000011694456 557392339 /nfs/dbraw/zinc/39/23/39/557392339.db2.gz VWLDZOAMRFHDEO-UHFFFAOYSA-N 0 0 435.430 4.990 50 0 IJAARN COc1cc(OC)c([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)cc1OC ZINC000102832986 557394353 /nfs/dbraw/zinc/39/43/53/557394353.db2.gz ZIRQMJOMGXZTBH-PEBXRYMYSA-N 0 0 448.479 4.724 50 0 IJAARN O=C(/C=C\c1ccc(F)cc1)NCc1cccc(CNC(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033456134 557399357 /nfs/dbraw/zinc/39/93/57/557399357.db2.gz DKLBDVUDXSEHDQ-SFGFDRCGSA-N 0 0 432.470 4.624 50 0 IJAARN COc1ccc(NC=C2c3ccccc3C(=O)N(OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000100363607 557401214 /nfs/dbraw/zinc/40/12/14/557401214.db2.gz LBLXUHMCLIKGOT-HMAPJEAMSA-N 0 0 434.879 4.916 50 0 IJAARN Cc1cccc(CCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000004904716 557403082 /nfs/dbraw/zinc/40/30/82/557403082.db2.gz JOMKHXISJCQMQB-UHFFFAOYSA-N 0 0 427.548 4.889 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000024464617 557414817 /nfs/dbraw/zinc/41/48/17/557414817.db2.gz QGKHJXBUEOHVFL-KRWDZBQOSA-N 0 0 431.565 4.880 50 0 IJAARN Cc1cccc2c(=O)n(CC(=O)Nc3ccccc3-c3nc4ccccc4s3)cnc12 ZINC000024465488 557415137 /nfs/dbraw/zinc/41/51/37/557415137.db2.gz YAKCJCQLSLSUBY-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1OC ZINC000033620695 557425558 /nfs/dbraw/zinc/42/55/58/557425558.db2.gz ZSNUCJMIMRJWHS-UHFFFAOYSA-N 0 0 449.551 4.804 50 0 IJAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000024488862 557433858 /nfs/dbraw/zinc/43/38/58/557433858.db2.gz XGYMTRYDCSHAPY-UHFFFAOYSA-N 0 0 427.508 4.869 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2 ZINC000065201190 557441745 /nfs/dbraw/zinc/44/17/45/557441745.db2.gz USPYYWCDVFXIPA-UHFFFAOYSA-N 0 0 444.478 4.895 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1Cl ZINC000016474892 557474259 /nfs/dbraw/zinc/47/42/59/557474259.db2.gz VVRQGMQQVJIGFN-UHFFFAOYSA-N 0 0 431.714 4.767 50 0 IJAARN COc1cc(OC)c(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC000106276227 557527523 /nfs/dbraw/zinc/52/75/23/557527523.db2.gz QKYWWPZJJJPBQM-ILBGXUMGSA-N 0 0 447.487 4.548 50 0 IJAARN O=C(NCCCc1nc2ccccc2s1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000107350128 557535681 /nfs/dbraw/zinc/53/56/81/557535681.db2.gz ZLUOUMKUVOBBAS-BVSLBCMMSA-N 0 0 447.604 4.819 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)ccc2OC)C1 ZINC000044803725 557537044 /nfs/dbraw/zinc/53/70/44/557537044.db2.gz DFHUNCRNILALON-SFHVURJKSA-N 0 0 434.540 4.591 50 0 IJAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1=O ZINC000044840781 557539382 /nfs/dbraw/zinc/53/93/82/557539382.db2.gz HEOREUDNDOWKOW-SFHVURJKSA-N 0 0 443.503 4.565 50 0 IJAARN COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044892475 557539898 /nfs/dbraw/zinc/53/98/98/557539898.db2.gz QTQVBYDLLJQGPB-DEOSSOPVSA-N 0 0 432.564 4.806 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)Nc1ccc(Cl)cc1F ZINC000045922523 557547871 /nfs/dbraw/zinc/54/78/71/557547871.db2.gz WTESCIKOAFGXLP-UHFFFAOYSA-N 0 0 449.869 4.767 50 0 IJAARN COc1cccc(C(=O)Nc2cc3c(cc2Sc2ccc(C)cc2)n(C)c(=O)n3C)c1 ZINC000045940955 557549332 /nfs/dbraw/zinc/54/93/32/557549332.db2.gz VLWGLRUBZNDCOI-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN O=c1c2sccc2n2c(SCc3ccc(F)cc3)nnc2n1Cc1cccs1 ZINC000045924506 557549491 /nfs/dbraw/zinc/54/94/91/557549491.db2.gz CPMOTUQHMBRLIY-UHFFFAOYSA-N 0 0 428.539 4.647 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccccc2)cc1 ZINC000045941807 557551276 /nfs/dbraw/zinc/55/12/76/557551276.db2.gz JDEWLXFBIQZMED-RUZDIDTESA-N 0 0 445.515 4.808 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(C)cc2)cc1 ZINC000045942322 557551879 /nfs/dbraw/zinc/55/18/79/557551879.db2.gz HLJLNMYTLSMLDD-DEOSSOPVSA-N 0 0 429.472 4.785 50 0 IJAARN Cc1ccc(Sc2cc3c(cc2NC(=O)Cc2cccc(F)c2)n(C)c(=O)n3C)cc1 ZINC000045961116 557555116 /nfs/dbraw/zinc/55/51/16/557555116.db2.gz UVBPUTYUYIXACQ-UHFFFAOYSA-N 0 0 435.524 4.657 50 0 IJAARN CCCCNS(=O)(=O)c1cccc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000040104090 557691517 /nfs/dbraw/zinc/69/15/17/557691517.db2.gz OINOYNPHMVLBOZ-INIZCTEOSA-N 0 0 429.542 4.736 50 0 IJAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)NN(c2ccccc2)c2ccccc2)CC1 ZINC000096117713 557723713 /nfs/dbraw/zinc/72/37/13/557723713.db2.gz NJXBNWODCGQMNO-MSUUIHNZSA-N 0 0 425.532 4.808 50 0 IJAARN COc1ccccc1CC1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC000225473998 557727135 /nfs/dbraw/zinc/72/71/35/557727135.db2.gz FUVSQZOGXPAYPL-UHFFFAOYSA-N 0 0 445.441 4.859 50 0 IJAARN Nc1c(Cl)ncnc1Oc1cc(-c2ccc(F)cc2F)nn1-c1ccc(F)c(F)c1 ZINC000040428611 557727710 /nfs/dbraw/zinc/72/77/10/557727710.db2.gz ORGJHAWOVYIBNF-UHFFFAOYSA-N 0 0 435.768 4.914 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cnc4ccccc4n3)C2)cc1OC ZINC000225505553 557731558 /nfs/dbraw/zinc/73/15/58/557731558.db2.gz AWDVAGFPDXKCBP-FQEVSTJZSA-N 0 0 444.516 4.700 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000029076089 557732356 /nfs/dbraw/zinc/73/23/56/557732356.db2.gz VMXHDQVNNZZUME-FMIVXFBMSA-N 0 0 436.861 4.837 50 0 IJAARN C[C@@H](Nc1cc(C(F)(F)F)nc2ncnn21)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000225511754 557732890 /nfs/dbraw/zinc/73/28/90/557732890.db2.gz UBUKZNXPSSFNFR-GFCCVEGCSA-N 0 0 444.392 4.708 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229823590 557833298 /nfs/dbraw/zinc/83/32/98/557833298.db2.gz YXEPNMZUECRAEI-PWRODBHTSA-N 0 0 449.304 4.500 50 0 IJAARN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000241862568 557847071 /nfs/dbraw/zinc/84/70/71/557847071.db2.gz SREJVGJTNDXEFG-INIZCTEOSA-N 0 0 447.388 4.630 50 0 IJAARN Cc1c(CNC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)oc2ccccc12 ZINC000241961346 557847221 /nfs/dbraw/zinc/84/72/21/557847221.db2.gz URPTXTGBKDQMQK-UHFFFAOYSA-N 0 0 447.560 4.560 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)cc1Cl ZINC000000878174 557848601 /nfs/dbraw/zinc/84/86/01/557848601.db2.gz GMKPIPPEGUKSDI-UHFFFAOYSA-N 0 0 429.977 4.737 50 0 IJAARN O=c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cn1Cc1ccc(Cl)c(Cl)c1 ZINC000001396489 562921724 /nfs/dbraw/zinc/92/17/24/562921724.db2.gz MNPLIUSEUITYQS-UHFFFAOYSA-N 0 0 443.739 4.658 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2cc(F)c(F)cc2Cl)n1 ZINC000001391662 562921628 /nfs/dbraw/zinc/92/16/28/562921628.db2.gz OUADNAYNVDLFHV-UHFFFAOYSA-N 0 0 437.851 4.682 50 0 IJAARN Cc1ccc(OCC(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001477086 562922001 /nfs/dbraw/zinc/92/20/01/562922001.db2.gz BMVMRSOEYDEUQK-UHFFFAOYSA-N 0 0 429.925 4.758 50 0 aggregator IJAARN C[C@H](Sc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3)C(=O)Nc1ccccc1 ZINC000001856254 562924948 /nfs/dbraw/zinc/92/49/48/562924948.db2.gz QTKVEPVUVMSUCZ-NSHDSACASA-N 0 0 430.624 4.961 50 0 IJAARN Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21 ZINC000002047503 562925674 /nfs/dbraw/zinc/92/56/74/562925674.db2.gz ZIQFYVPVJZEOFS-UHFFFAOYSA-N 0 0 427.291 4.538 50 0 in-vivo IJAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000002649353 562929263 /nfs/dbraw/zinc/92/92/63/562929263.db2.gz CMESBGDQHPKECY-MRXNPFEDSA-N 0 0 425.916 4.640 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1cccc(F)c1)cc(C(=O)c1ccc(F)cc1)c2=O ZINC000002691237 562929846 /nfs/dbraw/zinc/92/98/46/562929846.db2.gz RGJKKBZGHPDYBO-UHFFFAOYSA-N 0 0 435.426 4.576 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000002948288 562931032 /nfs/dbraw/zinc/93/10/32/562931032.db2.gz AMPCSRUIXQSMCX-UHFFFAOYSA-N 0 0 448.548 4.552 50 0 IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(C)c2)cc1 ZINC000003006448 562931622 /nfs/dbraw/zinc/93/16/22/562931622.db2.gz QQKQBPUGBNLURO-DEOSSOPVSA-N 0 0 447.531 4.839 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)c3ccccc3)c2)cc1 ZINC000003022152 562931746 /nfs/dbraw/zinc/93/17/46/562931746.db2.gz SZMXMXCVORNAEE-UHFFFAOYSA-N 0 0 426.513 4.856 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003029272 562931914 /nfs/dbraw/zinc/93/19/14/562931914.db2.gz AVSYWDXCVDVGCS-UHFFFAOYSA-N 0 0 438.332 4.533 50 0 IJAARN Cc1nc2nc(SCC(=O)Nc3cccc(Cl)c3)nn2c(C)c1Cc1ccccc1 ZINC000003040338 562932114 /nfs/dbraw/zinc/93/21/14/562932114.db2.gz ICEBBGFZCRPUMU-UHFFFAOYSA-N 0 0 437.956 4.716 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)N1CCCC1 ZINC000003408424 562935269 /nfs/dbraw/zinc/93/52/69/562935269.db2.gz KOMAUVOZSCRBLA-UHFFFAOYSA-N 0 0 449.418 4.927 50 0 IJAARN O=C1c2ccccc2C(=O)N1CCCCSc1nnc(-c2ccc(OC(F)F)cc2)o1 ZINC000003446376 562935937 /nfs/dbraw/zinc/93/59/37/562935937.db2.gz LSFGCYWPMJRXEK-UHFFFAOYSA-N 0 0 445.447 4.507 50 0 IJAARN CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003584867 562936599 /nfs/dbraw/zinc/93/65/99/562936599.db2.gz TYDPCFOMBQFAFW-UHFFFAOYSA-N 0 0 448.272 4.700 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1 ZINC000006578049 562948030 /nfs/dbraw/zinc/94/80/30/562948030.db2.gz HFELIFKFIXKQST-UHFFFAOYSA-N 0 0 449.555 4.683 50 0 IJAARN CN(C)c1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008583749 562949865 /nfs/dbraw/zinc/94/98/65/562949865.db2.gz RBMOBBUKUBDWIY-UHFFFAOYSA-N 0 0 435.528 4.567 50 0 IJAARN CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)C(C)C ZINC000008589599 562951262 /nfs/dbraw/zinc/95/12/62/562951262.db2.gz CSAGMDIIRGAZSV-UHFFFAOYSA-N 0 0 447.000 4.914 50 0 IJAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000008590324 562951643 /nfs/dbraw/zinc/95/16/43/562951643.db2.gz RMSWHUHKWXFZLE-UHFFFAOYSA-N 0 0 438.940 4.756 50 0 IJAARN CCSc1nc2ccccc2c(OCc2cc(C(=O)OC)ccc2OC)c1C(=O)OC ZINC000008592437 562952344 /nfs/dbraw/zinc/95/23/44/562952344.db2.gz OKQDMNYHGITXCU-UHFFFAOYSA-N 0 0 441.505 4.508 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008593804 562952831 /nfs/dbraw/zinc/95/28/31/562952831.db2.gz PLHRZLVGRZVNBP-OAQYLSRUSA-N 0 0 443.551 4.660 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C)c(Cl)c3)c2n1 ZINC000008598604 562954360 /nfs/dbraw/zinc/95/43/60/562954360.db2.gz FAMAKPRHKICWOD-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)cc1 ZINC000008599662 562954851 /nfs/dbraw/zinc/95/48/51/562954851.db2.gz UEZJAQDQHQSGSX-QHCPKHFHSA-N 0 0 447.535 4.752 50 0 IJAARN CCc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000008601149 562955164 /nfs/dbraw/zinc/95/51/64/562955164.db2.gz VLOLLTXTINYCPB-UHFFFAOYSA-N 0 0 447.482 4.689 50 0 IJAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)[C@H]3COc4ccccc4O3)nc2c1C ZINC000008601590 562955501 /nfs/dbraw/zinc/95/55/01/562955501.db2.gz UHLAWDIHVHZISU-HXUWFJFHSA-N 0 0 431.517 4.681 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000008602040 562955781 /nfs/dbraw/zinc/95/57/81/562955781.db2.gz KTIIZPPVFJLVRQ-UHFFFAOYSA-N 0 0 427.548 4.666 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000008603909 562956166 /nfs/dbraw/zinc/95/61/66/562956166.db2.gz QHWKQBBQNZCCMW-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN CC(C)CCNC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1 ZINC000008609082 562957642 /nfs/dbraw/zinc/95/76/42/562957642.db2.gz GHELMUOEQRHFDQ-UHFFFAOYSA-N 0 0 426.536 4.524 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)N(C)c1ccccc1)C(=O)c1ccccc1S2 ZINC000008609470 562957851 /nfs/dbraw/zinc/95/78/51/562957851.db2.gz HPZSZBUMXZNZCO-UHFFFAOYSA-N 0 0 446.528 4.638 50 0 IJAARN O=C(NCc1ccccc1Br)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008610021 562957991 /nfs/dbraw/zinc/95/79/91/562957991.db2.gz IZHCMGUXKUBKJM-UHFFFAOYSA-N 0 0 430.371 4.979 50 0 IJAARN C[C@H](NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008613990 562959519 /nfs/dbraw/zinc/95/95/19/562959519.db2.gz PBPOZYKQJKPYNL-INIZCTEOSA-N 0 0 440.952 4.582 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000008619087 562959780 /nfs/dbraw/zinc/95/97/80/562959780.db2.gz LVXMRBGVLHVBKT-JOCHJYFZSA-N 0 0 436.895 4.693 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)NCCC3=CCCCC3)c(C)o2)cc1OC ZINC000008680387 562961517 /nfs/dbraw/zinc/96/15/17/562961517.db2.gz WCKGYMPKJATUOH-UHFFFAOYSA-N 0 0 430.570 4.907 50 0 IJAARN O=C1c2cccc3cc(Br)cc(c32)C(=O)N1Nc1ccc(Br)cc1 ZINC000008685711 562962664 /nfs/dbraw/zinc/96/26/64/562962664.db2.gz ZXYPXNVOKYEWLG-UHFFFAOYSA-N 0 0 446.098 4.988 50 0 aggregator IJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000008686325 562962828 /nfs/dbraw/zinc/96/28/28/562962828.db2.gz CUBSTUYZEQYVEV-UHFFFAOYSA-N 0 0 439.924 4.767 50 0 aggregator IJAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)NCCc1ccccc1 ZINC000008831432 562965039 /nfs/dbraw/zinc/96/50/39/562965039.db2.gz UEPDTDNZPIAYTE-UHFFFAOYSA-N 0 0 443.572 4.680 50 0 biogenic IJAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000008860197 562965357 /nfs/dbraw/zinc/96/53/57/562965357.db2.gz BCLJZLCKNIJFTA-UHFFFAOYSA-N 0 0 447.535 4.777 50 0 IJAARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccccn1)C1CCCCC1 ZINC000009144415 562967822 /nfs/dbraw/zinc/96/78/22/562967822.db2.gz XYADVQXSMBQVIP-UHFFFAOYSA-N 0 0 441.597 4.626 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1cccc(C)c1 ZINC000009731891 562976272 /nfs/dbraw/zinc/97/62/72/562976272.db2.gz DBPQWCNPYIWGOS-QFIPXVFZSA-N 0 0 441.491 4.783 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c(C)c1 ZINC000009738494 562976273 /nfs/dbraw/zinc/97/62/73/562976273.db2.gz GOVQLJLQHRAPLD-UHFFFAOYSA-N 0 0 437.565 4.648 50 0 IJAARN CCc1ccc(NC(=O)c2cnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1 ZINC000027534661 563043461 /nfs/dbraw/zinc/04/34/61/563043461.db2.gz PXIXEXGTLKBBNR-UHFFFAOYSA-N 0 0 437.547 4.771 50 0 IJAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(COc3cccnc3)[nH]n2)cc1 ZINC000049045187 563136566 /nfs/dbraw/zinc/13/65/66/563136566.db2.gz NJARPUHZDSAXPL-UHFFFAOYSA-N 0 0 445.527 4.819 50 0 IJAARN O=c1cc(CN2CCN(c3ccccc3F)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000054105878 563142225 /nfs/dbraw/zinc/14/22/25/563142225.db2.gz RIGGFJOUJGRYID-UHFFFAOYSA-N 0 0 430.479 4.627 50 0 IJAARN CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1 ZINC000063298382 563152257 /nfs/dbraw/zinc/15/22/57/563152257.db2.gz WFTZMAAMCVPJJT-UHFFFAOYSA-N 0 0 430.386 4.896 50 0 IJAARN COc1ccc(C(=O)N[C@@H](c2nc(-c3ccc(Br)cc3)no2)C(C)C)cc1 ZINC000106071461 568624800 /nfs/dbraw/zinc/62/48/00/568624800.db2.gz ROTWEWBUGALFBF-QGZVFWFLSA-N 0 0 430.302 4.635 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 ZINC000033297952 568626230 /nfs/dbraw/zinc/62/62/30/568626230.db2.gz FNZGMWUZUPDMFV-GHXNOFRVSA-N 0 0 443.500 4.750 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccccc1Cl ZINC000000904236 568636339 /nfs/dbraw/zinc/63/63/39/568636339.db2.gz BADRNKSNKSJVAH-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1nnc(-c2nn(-c3ccc(C(=O)NCC(C)C)cc3)c(-c3ccc(F)cc3)c2C)o1 ZINC000025143830 568639875 /nfs/dbraw/zinc/63/98/75/568639875.db2.gz IEDGTRVEHGXMTJ-UHFFFAOYSA-N 0 0 433.487 4.731 50 0 IJAARN CC(=O)Oc1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)cc1OC(C)=O ZINC000025142541 568640167 /nfs/dbraw/zinc/64/01/67/568640167.db2.gz XSBHYHJFELONFF-UHFFFAOYSA-N 0 0 431.400 4.741 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)n(-c2ccccn2)n1 ZINC000025147464 568640888 /nfs/dbraw/zinc/64/08/88/568640888.db2.gz WAESHPDJMHKKKC-UHFFFAOYSA-N 0 0 448.429 4.642 50 0 IJAARN Cc1nnc(-c2nn(-c3ccc(C(=O)NCC(C)(C)C)cc3)c3c2COc2ccccc2-3)o1 ZINC000025149446 568642732 /nfs/dbraw/zinc/64/27/32/568642732.db2.gz WVJLWXFZNUFTDH-UHFFFAOYSA-N 0 0 443.507 4.566 50 0 IJAARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@@]12C ZINC000253595723 568643833 /nfs/dbraw/zinc/64/38/33/568643833.db2.gz HVUYZRAQHFYMES-OVVVXGLUSA-N 0 0 446.584 4.603 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000086077335 568644561 /nfs/dbraw/zinc/64/45/61/568644561.db2.gz KXVRSHSMNXYNIS-CQSZACIVSA-N 0 0 428.895 4.676 50 0 IJAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1Cl)c2=O ZINC000000956057 568645780 /nfs/dbraw/zinc/64/57/80/568645780.db2.gz HCWJGOMITXSWRX-UHFFFAOYSA-N 0 0 428.746 4.809 50 0 IJAARN COc1ccc([C@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000000956362 568645973 /nfs/dbraw/zinc/64/59/73/568645973.db2.gz XUMKLEQQWKVXHT-RUZDIDTESA-N 0 0 442.515 4.979 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000000959610 568646404 /nfs/dbraw/zinc/64/64/04/568646404.db2.gz HNDHEISJWXHLGU-UHFFFAOYSA-N 0 0 443.455 4.654 50 0 biogenic IJAARN CC(C)[C@H](C(=O)O[C@H]1C(=O)N(C)C(=O)N1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000970417 568647578 /nfs/dbraw/zinc/64/75/78/568647578.db2.gz WNEVEZLPHUGSLH-HKUYNNGSSA-N 0 0 435.307 4.701 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 ZINC000000997519 568649372 /nfs/dbraw/zinc/64/93/72/568649372.db2.gz KIGAPOXWZBVMIV-UHFFFAOYSA-N 0 0 429.549 4.919 50 0 IJAARN COc1cc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc(OC)c1OC ZINC000001043659 568654280 /nfs/dbraw/zinc/65/42/80/568654280.db2.gz WEWRQRBNINIRDN-HXUWFJFHSA-N 0 0 430.504 4.756 50 0 biogenic IJAARN Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccccc2Br)cc1 ZINC000001153830 568663340 /nfs/dbraw/zinc/66/33/40/568663340.db2.gz PJZUCQUTZSAIOM-IBGZPJMESA-N 0 0 429.339 4.870 50 0 IJAARN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@]12C ZINC000257350272 568731333 /nfs/dbraw/zinc/73/13/33/568731333.db2.gz WBDZTYXCQAXFQG-ILJRHNAQSA-N 0 0 434.617 4.890 50 0 IJAARN COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]21C ZINC000257358786 568731588 /nfs/dbraw/zinc/73/15/88/568731588.db2.gz WKTMPEKHRSIDAY-NXXFWNLVSA-N 0 0 434.617 4.747 50 0 IJAARN COc1ccccc1N(Cc1nnc(-c2ccc(C)cc2)o1)S(=O)(=O)c1cccs1 ZINC000031607879 568740873 /nfs/dbraw/zinc/74/08/73/568740873.db2.gz CSZZHTAIHGYJHH-UHFFFAOYSA-N 0 0 441.534 4.511 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000001221437 568742089 /nfs/dbraw/zinc/74/20/89/568742089.db2.gz MSEGMUNYOGNWDU-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000001965134 568742392 /nfs/dbraw/zinc/74/23/92/568742392.db2.gz BOHHMOLODJCJBI-UHFFFAOYSA-N 0 0 442.544 4.914 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000003217371 568743188 /nfs/dbraw/zinc/74/31/88/568743188.db2.gz OHHFTHMIQUFTQY-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000003340358 568746483 /nfs/dbraw/zinc/74/64/83/568746483.db2.gz DCSQFBYIYXRAJU-UHFFFAOYSA-N 0 0 442.393 4.616 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNc1ccccc1C(=O)NCc1ccccc1 ZINC000003340312 568746502 /nfs/dbraw/zinc/74/65/02/568746502.db2.gz LAKJBKWNNHCFNF-UHFFFAOYSA-N 0 0 445.563 4.973 50 0 IJAARN COCc1oc2c(cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)OC ZINC000003368411 568747701 /nfs/dbraw/zinc/74/77/01/568747701.db2.gz JUDXMKLYABBVEJ-UHFFFAOYSA-N 0 0 439.489 4.628 50 0 IJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc2c(c1)OCO2 ZINC000003396128 568748487 /nfs/dbraw/zinc/74/84/87/568748487.db2.gz RIIOHXSAJVRDDG-UHFFFAOYSA-N 0 0 442.468 4.510 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003517013 568750547 /nfs/dbraw/zinc/75/05/47/568750547.db2.gz RKFGIICAXZANIX-UHFFFAOYSA-N 0 0 449.985 4.767 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000003643683 568752391 /nfs/dbraw/zinc/75/23/91/568752391.db2.gz OQKMTSIGROGNRX-HXUWFJFHSA-N 0 0 447.516 4.882 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3n2)cc1 ZINC000003649008 568752658 /nfs/dbraw/zinc/75/26/58/568752658.db2.gz INZPCHDKJQTDDD-RGEXLXHISA-N 0 0 425.941 4.588 50 0 IJAARN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000003662967 568753583 /nfs/dbraw/zinc/75/35/83/568753583.db2.gz NPZZOPRRNXSUCO-MOSHPQCFSA-N 0 0 440.540 4.804 50 0 IJAARN COc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 ZINC000003669933 568754109 /nfs/dbraw/zinc/75/41/09/568754109.db2.gz IXUPJAMSECKEME-KGENOOAVSA-N 0 0 433.847 4.912 50 0 IJAARN Cc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccs5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000003766206 568754312 /nfs/dbraw/zinc/75/43/12/568754312.db2.gz FPSOMEDARHYUNF-DLBLZJNESA-N 0 0 440.593 4.689 50 0 IJAARN CCc1ccc2nc(-c3ccc(C(=O)NCc4cncn4CCOC)cc3)cc(C)c2c1 ZINC000534647293 568759226 /nfs/dbraw/zinc/75/92/26/568759226.db2.gz BCZBIJBNBKUGBW-UHFFFAOYSA-N 0 0 428.536 4.546 50 0 IJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1ccc(CCc2nn[nH]n2)cc1 ZINC000263588805 568761270 /nfs/dbraw/zinc/76/12/70/568761270.db2.gz YOSGAYSBTVTHRQ-DEOSSOPVSA-N 0 0 436.519 4.558 50 0 IJAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000263588907 568761273 /nfs/dbraw/zinc/76/12/73/568761273.db2.gz ZSKVHRGQGQCEIV-UHFFFAOYSA-N 0 0 446.532 4.910 50 0 IJAARN Cn1c(=N)n(CC(=O)c2cccc(Br)c2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157641 568762093 /nfs/dbraw/zinc/76/20/93/568762093.db2.gz XHMUXKQMNZTTEZ-UHFFFAOYSA-N 0 0 439.140 4.925 50 0 IJAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccc(Br)cc4)no3)c2CO1 ZINC000263616845 568776904 /nfs/dbraw/zinc/77/69/04/568776904.db2.gz KVIXYRLFUFWBLA-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Br)c5)no4)c3CO2)cc1 ZINC000263619364 568778042 /nfs/dbraw/zinc/77/80/42/568778042.db2.gz YJPSNYUMMDLVQC-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1ccccc1C ZINC000001320834 568779883 /nfs/dbraw/zinc/77/98/83/568779883.db2.gz BHHZPQRBPGSQMQ-UHFFFAOYSA-N 0 0 446.532 4.522 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2 ZINC000001346150 568780484 /nfs/dbraw/zinc/78/04/84/568780484.db2.gz WCWJYIBCTYDKHB-UHFFFAOYSA-N 0 0 442.500 4.665 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3N=NC(=S)N3c3ccccc3)cc2)c(C)c1 ZINC000032099715 568780651 /nfs/dbraw/zinc/78/06/51/568780651.db2.gz COZCPXXZEUABAL-UHFFFAOYSA-N 0 0 436.562 4.641 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2sc(-c3ccsc3)nc2C)c(C)n1C[C@@H]1CCCO1 ZINC000025836899 568784501 /nfs/dbraw/zinc/78/45/01/568784501.db2.gz ZMYMPACNQDRPPW-KRWDZBQOSA-N 0 0 444.578 4.817 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Br)cc2)CC1 ZINC000001403800 568786740 /nfs/dbraw/zinc/78/67/40/568786740.db2.gz HFIMBJKHXYDFCC-UHFFFAOYSA-N 0 0 440.790 4.862 50 0 IJAARN O=C(COC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl ZINC000001171260 568788276 /nfs/dbraw/zinc/78/82/76/568788276.db2.gz ASSHCRIJIJHPJG-UHFFFAOYSA-N 0 0 435.044 4.638 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC000084028843 568790106 /nfs/dbraw/zinc/79/01/06/568790106.db2.gz CPCVOHXXXSOWOZ-UHFFFAOYSA-N 0 0 437.293 4.923 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000084068072 568791170 /nfs/dbraw/zinc/79/11/70/568791170.db2.gz UKAIWPDLNYMJGV-QWHCGFSZSA-N 0 0 430.517 4.750 50 0 IJAARN Cc1cc(NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)n(Cc2ccccc2)n1 ZINC000084104885 568792776 /nfs/dbraw/zinc/79/27/76/568792776.db2.gz RZBHRQVXEABFPE-UHFFFAOYSA-N 0 0 426.561 4.509 50 0 IJAARN COC(=O)c1ccccc1NC(=O)COc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000001425910 568793782 /nfs/dbraw/zinc/79/37/82/568793782.db2.gz HLPJTTLVRNGTQI-UHFFFAOYSA-N 0 0 447.274 4.985 50 0 IJAARN COc1ccc([C@@H]2OC(=O)N(Cc3cccc(Cl)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001425596 568793812 /nfs/dbraw/zinc/79/38/12/568793812.db2.gz IDIIXCDNVWBCEH-LADGPHEKSA-N 0 0 439.895 4.896 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001426421 568793956 /nfs/dbraw/zinc/79/39/56/568793956.db2.gz LUXQYJBKOJLKOU-QGZVFWFLSA-N 0 0 447.310 4.871 50 0 IJAARN Cc1ccc(S(=O)(=O)C2(C(=O)Oc3ccc(C4SCCS4)cc3)CCC2)cc1 ZINC000084157395 568795367 /nfs/dbraw/zinc/79/53/67/568795367.db2.gz ZVMVHZQTEDDVQT-UHFFFAOYSA-N 0 0 434.604 4.776 50 0 IJAARN Cc1ccc(Sc2ncccc2C(=O)N2CCC(c3nnc(C4CC4)[nH]3)CC2)cc1C ZINC000084180951 568795886 /nfs/dbraw/zinc/79/58/86/568795886.db2.gz SALZBUWMZLFXIR-UHFFFAOYSA-N 0 0 433.581 4.865 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[C@@H]1CCC[C@H](C)C1 ZINC000084234989 568796615 /nfs/dbraw/zinc/79/66/15/568796615.db2.gz JLEBFQJWRSAQSZ-GEQKSPFYSA-N 0 0 449.551 4.574 50 0 IJAARN Cc1csc(Sc2ccc(NC(=O)N3CCN(c4ccccc4O)CC3)cc2)n1 ZINC000084271360 568796779 /nfs/dbraw/zinc/79/67/79/568796779.db2.gz PNLNFLWTUKGQHR-UHFFFAOYSA-N 0 0 426.567 4.662 50 0 IJAARN O=C(OCc1csc(Br)c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000084357687 568797237 /nfs/dbraw/zinc/79/72/37/568797237.db2.gz ZEBXXMSTWHADBE-GFCCVEGCSA-N 0 0 449.292 4.884 50 0 IJAARN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000084393611 568797786 /nfs/dbraw/zinc/79/77/86/568797786.db2.gz AEIRQZXDMWSOLE-INIZCTEOSA-N 0 0 445.235 4.795 50 0 IJAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)NCc4ccccc4)s3)c2C)cc1 ZINC000015669186 568801988 /nfs/dbraw/zinc/80/19/88/568801988.db2.gz VSVVFJAHEXZZQH-UHFFFAOYSA-N 0 0 446.576 4.783 50 0 IJAARN CC(C)CCN1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676113 568804011 /nfs/dbraw/zinc/80/40/11/568804011.db2.gz OAIVZMUQKMITNZ-RUZDIDTESA-N 0 0 440.588 4.633 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000015676223 568804207 /nfs/dbraw/zinc/80/42/07/568804207.db2.gz OHRPVYNMOHDZKF-SANMLTNESA-N 0 0 436.600 4.665 50 0 IJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678231 568804810 /nfs/dbraw/zinc/80/48/10/568804810.db2.gz JJUHZBKJNBXRFY-RUZDIDTESA-N 0 0 425.573 4.992 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccco1 ZINC000015678201 568804819 /nfs/dbraw/zinc/80/48/19/568804819.db2.gz DKGIWEUCWAKNQN-AREMUKBSSA-N 0 0 449.551 4.985 50 0 IJAARN O=C(Nc1cccc(F)c1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000015679448 568805222 /nfs/dbraw/zinc/80/52/22/568805222.db2.gz XXGNWAOYECEZSN-UHFFFAOYSA-N 0 0 439.491 4.591 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)cc1 ZINC000015680831 568806195 /nfs/dbraw/zinc/80/61/95/568806195.db2.gz MKCCCUPKOZVZHQ-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN COc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)c1 ZINC000015680821 568806332 /nfs/dbraw/zinc/80/63/32/568806332.db2.gz HNDWKRLLRYCEKV-UHFFFAOYSA-N 0 0 448.544 4.571 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000015733537 568815910 /nfs/dbraw/zinc/81/59/10/568815910.db2.gz TVYIXHVATMXMMG-INIZCTEOSA-N 0 0 445.475 4.827 50 0 IJAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])c1OC ZINC000015777060 568823863 /nfs/dbraw/zinc/82/38/63/568823863.db2.gz YIJMHETYABCTHN-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN Cc1cc(C)cc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000015781008 568826019 /nfs/dbraw/zinc/82/60/19/568826019.db2.gz CCFOZFBWBMJSBQ-NRFANRHFSA-N 0 0 431.554 4.757 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1F ZINC000085644635 568829634 /nfs/dbraw/zinc/82/96/34/568829634.db2.gz WXLFXHDGOKHMLI-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c1 ZINC000085649115 568830702 /nfs/dbraw/zinc/83/07/02/568830702.db2.gz FLWIKHBQUVZQON-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN COc1cc(NC(=O)C[C@H]2COc3ccccc3N2Cc2ccccc2)cc(OC)c1OC ZINC000085648711 568830795 /nfs/dbraw/zinc/83/07/95/568830795.db2.gz RTTSXHQGIVIBDB-FQEVSTJZSA-N 0 0 448.519 4.509 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 ZINC000085651510 568831449 /nfs/dbraw/zinc/83/14/49/568831449.db2.gz XMJRCHMSZAHMPJ-UHFFFAOYSA-N 0 0 429.398 4.900 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000085712569 568835546 /nfs/dbraw/zinc/83/55/46/568835546.db2.gz IPRWZXZLESAEAG-UHFFFAOYSA-N 0 0 432.586 4.640 50 0 IJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cccc(Br)c1)CC(=O)N2 ZINC000001509738 568836133 /nfs/dbraw/zinc/83/61/33/568836133.db2.gz QTVBOHDCXXJZAC-JOCHJYFZSA-N 0 0 435.321 4.941 50 0 IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000100666321 568838993 /nfs/dbraw/zinc/83/89/93/568838993.db2.gz OQRWVRHXLAZKRP-UHFFFAOYSA-N 0 0 436.291 4.834 50 0 IJAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(C(=O)c4ccccc4)cc3)oc2c1 ZINC000001516024 568839637 /nfs/dbraw/zinc/83/96/37/568839637.db2.gz LTSJTRQQMQOKQO-OHYPFYFLSA-N 0 0 439.515 4.841 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1 ZINC000015865468 568850507 /nfs/dbraw/zinc/85/05/07/568850507.db2.gz PWDYBLYBSPQJPZ-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN CCc1ccccc1NC(=O)c1nc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000015868178 568851118 /nfs/dbraw/zinc/85/11/18/568851118.db2.gz ZYSRLPVHDLOJAS-UHFFFAOYSA-N 0 0 425.414 4.933 50 0 IJAARN COc1ccccc1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O ZINC000015868359 568851189 /nfs/dbraw/zinc/85/11/89/568851189.db2.gz FXAKHNUEGXKDEU-UHFFFAOYSA-N 0 0 446.887 4.823 50 0 IJAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)nc2ccccc21 ZINC000015870454 568851631 /nfs/dbraw/zinc/85/16/31/568851631.db2.gz LDUUGVCSFZNUKS-UHFFFAOYSA-N 0 0 435.549 4.651 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000015882482 568856988 /nfs/dbraw/zinc/85/69/88/568856988.db2.gz JWEXPGFORHZDGJ-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN Cc1cc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)ccc1Br ZINC000015883315 568857649 /nfs/dbraw/zinc/85/76/49/568857649.db2.gz BKTQHXVFPIQERY-UHFFFAOYSA-N 0 0 448.320 4.768 50 0 IJAARN COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)cc1Cl ZINC000015970545 568861474 /nfs/dbraw/zinc/86/14/74/568861474.db2.gz XLIZNDBHOCOYHZ-AWEZNQCLSA-N 0 0 437.323 4.502 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(OCc2ccccc2)c1 ZINC000016010501 568862613 /nfs/dbraw/zinc/86/26/13/568862613.db2.gz BUCAWMMYBSQRAB-UHFFFAOYSA-N 0 0 446.547 4.610 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1C)CC2 ZINC000012939580 568868610 /nfs/dbraw/zinc/86/86/10/568868610.db2.gz UKJHNUDHLICREK-RUZDIDTESA-N 0 0 436.577 4.968 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012939547 568868672 /nfs/dbraw/zinc/86/86/72/568868672.db2.gz FMSYLEKJGVAOSS-UHFFFAOYSA-N 0 0 444.304 4.667 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000016047978 568869332 /nfs/dbraw/zinc/86/93/32/568869332.db2.gz BVIPCPYGKMHYOC-UHFFFAOYSA-N 0 0 440.521 4.905 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000012946785 568871243 /nfs/dbraw/zinc/87/12/43/568871243.db2.gz ZIRVCCMYFBIWQZ-HNNXBMFYSA-N 0 0 430.346 4.570 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000006190533 568874863 /nfs/dbraw/zinc/87/48/63/568874863.db2.gz OHZYPICQAMMQDM-UHFFFAOYSA-N 0 0 435.471 4.802 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 ZINC000575612063 568879351 /nfs/dbraw/zinc/87/93/51/568879351.db2.gz IYUIKPXNLJPBQN-GFCCVEGCSA-N 0 0 446.132 4.621 50 0 IJAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)cc(=O)n1-c1ccccc1)c1ccccc1 ZINC000000637238 568880146 /nfs/dbraw/zinc/88/01/46/568880146.db2.gz UQHCZYOMAPLVTD-UHFFFAOYSA-N 0 0 442.496 4.603 50 0 IJAARN CS(=O)(=O)Cc1ccc(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000063984673 568881331 /nfs/dbraw/zinc/88/13/31/568881331.db2.gz JHFBUGMGNXZNSQ-UHFFFAOYSA-N 0 0 441.361 4.914 50 0 IJAARN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000064026563 568882042 /nfs/dbraw/zinc/88/20/42/568882042.db2.gz VXUYZIPBKLWPSO-GFCCVEGCSA-N 0 0 449.363 4.936 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)c1 ZINC000575621379 568883238 /nfs/dbraw/zinc/88/32/38/568883238.db2.gz NUZDMALTWWBXET-SFHVURJKSA-N 0 0 433.371 4.705 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc(OCC)c1OCC ZINC000009471844 568883593 /nfs/dbraw/zinc/88/35/93/568883593.db2.gz DFSDNZXHDFXJGI-UHFFFAOYSA-N 0 0 431.876 4.838 50 0 IJAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229513238 568886806 /nfs/dbraw/zinc/88/68/06/568886806.db2.gz WPKOZKGOMNWHLP-WZONZLPQSA-N 0 0 427.976 4.731 50 0 IJAARN Fc1ccc(N2CCN([C@H](c3nnc(-c4ccccc4)o3)c3ccccc3F)CC2)cc1 ZINC000035562402 568893459 /nfs/dbraw/zinc/89/34/59/568893459.db2.gz VVOMOUXGINSQBJ-QHCPKHFHSA-N 0 0 432.474 4.926 50 0 IJAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000029843202 568895574 /nfs/dbraw/zinc/89/55/74/568895574.db2.gz ANQYZIWKGLBVNK-UKINESCASA-N 0 0 444.906 4.623 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)CC(=O)NC1c2ccccc2-c2ccccc21 ZINC000012998544 568897781 /nfs/dbraw/zinc/89/77/81/568897781.db2.gz ORCYRJPPKJUHOT-UHFFFAOYSA-N 0 0 427.548 4.532 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)n2)cc1 ZINC000013007553 568899578 /nfs/dbraw/zinc/89/95/78/568899578.db2.gz FYWLBPAOLALCHI-NRFANRHFSA-N 0 0 438.959 4.584 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nc3sc4c(c3c(=O)n2CCCOC)CCC4)n1 ZINC000013009279 568899754 /nfs/dbraw/zinc/89/97/54/568899754.db2.gz LJRCEDPKAOKKRX-CYBMUJFWSA-N 0 0 448.614 4.562 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccnn1C(C)C)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524730690 568904150 /nfs/dbraw/zinc/90/41/50/568904150.db2.gz STJPWDJLDIAFOT-DEOSSOPVSA-N 0 0 445.567 4.665 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccnn1C(C)C)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524730691 568904175 /nfs/dbraw/zinc/90/41/75/568904175.db2.gz STJPWDJLDIAFOT-XMMPIXPASA-N 0 0 445.567 4.665 50 0 biogenic IJAARN O=C(/C=C/c1ccccc1)OC[C@@H]1[C@@H](COC(=O)/C=C/c2ccccc2)C1(Cl)Cl ZINC000001751493 568904633 /nfs/dbraw/zinc/90/46/33/568904633.db2.gz OPEOMUGBUBKGGU-YZKIUJHNSA-N 0 0 431.315 4.920 50 0 IJAARN CC(C)[C@@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000390832749 568909454 /nfs/dbraw/zinc/90/94/54/568909454.db2.gz YJLIOOYMVZHWAN-DHIUTWEWSA-N 0 0 448.494 4.503 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@H]4C)c3N2)cc1 ZINC000239433587 568911548 /nfs/dbraw/zinc/91/15/48/568911548.db2.gz YBQJYUOUXMXGEI-RFVSGWPVSA-N 0 0 438.478 4.846 50 0 IJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000245310788 568914474 /nfs/dbraw/zinc/91/44/74/568914474.db2.gz KRQORUMZGUNJPE-XPWALMASSA-N 0 0 432.907 4.954 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064370096 568920024 /nfs/dbraw/zinc/92/00/24/568920024.db2.gz QJFKTKWJWGOZSU-UHFFFAOYSA-N 0 0 444.973 4.541 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1 ZINC000016533613 568920519 /nfs/dbraw/zinc/92/05/19/568920519.db2.gz VGALKFKQOCNBIU-UHFFFAOYSA-N 0 0 431.515 4.863 50 0 IJAARN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1ccccc1 ZINC000001912331 568922317 /nfs/dbraw/zinc/92/23/17/568922317.db2.gz CQUBQAKUKSMSOA-UHFFFAOYSA-N 0 0 433.291 4.987 50 0 IJAARN CCCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1OC ZINC000001934588 568923508 /nfs/dbraw/zinc/92/35/08/568923508.db2.gz CPZFWZLESDRFBI-VZUCSPMQSA-N 0 0 437.277 4.741 50 0 IJAARN COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)Nc2ccccc2F)cc1 ZINC000001951706 568923890 /nfs/dbraw/zinc/92/38/90/568923890.db2.gz KRBYNCKDLWDGOP-UHFFFAOYSA-N 0 0 433.435 4.934 50 0 IJAARN CCc1ccc(-c2csc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c23)cc1 ZINC000001971071 568924186 /nfs/dbraw/zinc/92/41/86/568924186.db2.gz YRTUMUZSESMCLQ-UHFFFAOYSA-N 0 0 429.545 4.667 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Cn3ncc(Br)c3C3CC3)cc2)cc1 ZINC000089444354 568925336 /nfs/dbraw/zinc/92/53/36/568925336.db2.gz QGGRDFCRFWOKNT-UHFFFAOYSA-N 0 0 426.314 4.832 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(NC(=O)c3ccccc3C)c2)N2CCCSC2=N1 ZINC000016613778 568925700 /nfs/dbraw/zinc/92/57/00/568925700.db2.gz MJKCKNICUUWRCI-QFIPXVFZSA-N 0 0 449.576 4.934 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1 ZINC000064452386 568929238 /nfs/dbraw/zinc/92/92/38/568929238.db2.gz LYRHOWUIIYQDRL-GMAHTHKFSA-N 0 0 444.579 4.931 50 0 IJAARN COc1c2c(cc3c1[C@H](CC(=O)c1cccc(C=Cc4ccccn4)c1)N(C)CC3)OCO2 ZINC000020310964 568930697 /nfs/dbraw/zinc/93/06/97/568930697.db2.gz QFGJBGZVVRNWQO-CZQLGGELSA-N 0 0 442.515 4.791 50 0 biogenic IJAARN CCc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000064557826 568932040 /nfs/dbraw/zinc/93/20/40/568932040.db2.gz UUUTWMZXVQJUGE-JOCHJYFZSA-N 0 0 449.528 4.589 50 0 IJAARN Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000064565991 568932785 /nfs/dbraw/zinc/93/27/85/568932785.db2.gz XZGPESFQRQJKDL-UHFFFAOYSA-N 0 0 448.420 4.747 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000064579607 568934361 /nfs/dbraw/zinc/93/43/61/568934361.db2.gz JZTQVCFQKDVORQ-UHFFFAOYSA-N 0 0 442.475 4.688 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)nn1-c1ccccc1F ZINC000089568468 568937832 /nfs/dbraw/zinc/93/78/32/568937832.db2.gz ZVHQSDDRCAPCGY-UHFFFAOYSA-N 0 0 440.906 4.576 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1N1C[C@@H](C)O[C@H](C)C1 ZINC000027024526 568939292 /nfs/dbraw/zinc/93/92/92/568939292.db2.gz BQPKXVPAXXLYNN-IAGOWNOFSA-N 0 0 444.468 5.000 50 0 IJAARN CC(C)(C)c1ccc(C2=N/C(=C/c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 ZINC000002054744 568940930 /nfs/dbraw/zinc/94/09/30/568940930.db2.gz LTOUMTJOXADPIQ-LZYBPNLTSA-N 0 0 428.282 4.820 50 0 IJAARN O=c1nc(N2CCc3ccccc3C2)[nH]c2c(-c3ccc(Br)cc3)csc21 ZINC000064611603 568941629 /nfs/dbraw/zinc/94/16/29/568941629.db2.gz NYQPPLLAPSAYEE-UHFFFAOYSA-N 0 0 438.350 4.977 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C)cc2C)CC3)cc1 ZINC000064660233 568942492 /nfs/dbraw/zinc/94/24/92/568942492.db2.gz JJYHUJPQGMRPLU-UHFFFAOYSA-N 0 0 428.579 4.573 50 0 IJAARN CCOc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 ZINC000064667575 568942828 /nfs/dbraw/zinc/94/28/28/568942828.db2.gz SJTNXSPALQZABI-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN COCCN1c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2Sc2ccccc2C1=O ZINC000064666761 568942899 /nfs/dbraw/zinc/94/28/99/568942899.db2.gz ZMTMOSGIXFIRDG-UHFFFAOYSA-N 0 0 440.471 4.975 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000064668047 568943040 /nfs/dbraw/zinc/94/30/40/568943040.db2.gz XPRCPBDAMCYQJE-INIZCTEOSA-N 0 0 445.604 4.908 50 0 IJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1cccc(Br)c1 ZINC000064676130 568943864 /nfs/dbraw/zinc/94/38/64/568943864.db2.gz OABKYUCBQZXRKP-UHFFFAOYSA-N 0 0 426.339 4.684 50 0 IJAARN Cc1cc2nc(C(=O)OC(C)C)c(N3CCN(c4cccc(C)c4C)CC3)nc2cc1C ZINC000064690571 568944142 /nfs/dbraw/zinc/94/41/42/568944142.db2.gz FWICXNLFTMHAAP-UHFFFAOYSA-N 0 0 432.568 4.755 50 0 IJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2ccc(C)cc2C)CC1 ZINC000064690544 568944156 /nfs/dbraw/zinc/94/41/56/568944156.db2.gz LRYYTKHCGZSKEJ-UHFFFAOYSA-N 0 0 432.568 4.757 50 0 IJAARN CCOC(=O)CN(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000036067056 568945031 /nfs/dbraw/zinc/94/50/31/568945031.db2.gz YZYPHAJYXUAQBJ-QHCPKHFHSA-N 0 0 428.960 4.505 50 0 IJAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(F)cc1 ZINC000036072461 568946067 /nfs/dbraw/zinc/94/60/67/568946067.db2.gz SMKVHNFMPFKTBQ-UHFFFAOYSA-N 0 0 433.483 4.848 50 0 IJAARN O=C(NC1CC1)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072334 568946074 /nfs/dbraw/zinc/94/60/74/568946074.db2.gz NDRCLNIELNBGRK-UHFFFAOYSA-N 0 0 447.432 4.927 50 0 IJAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2ccccc2)c1=O ZINC000064734222 568946830 /nfs/dbraw/zinc/94/68/30/568946830.db2.gz YCALLEKDWDJLCP-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1cccc(Cl)c1 ZINC000064746918 568950262 /nfs/dbraw/zinc/95/02/62/568950262.db2.gz JUDCVTYQFUMKAT-UHFFFAOYSA-N 0 0 446.919 4.965 50 0 IJAARN Cc1cccc(NC(=O)Cn2c(C)nc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064747038 568950409 /nfs/dbraw/zinc/95/04/09/568950409.db2.gz OLZNDRMCWWNZTK-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064747801 568950480 /nfs/dbraw/zinc/95/04/80/568950480.db2.gz SZHIWZBDCGVDOQ-UHFFFAOYSA-N 0 0 433.533 4.923 50 0 IJAARN Cc1nc2cc(C(=O)NCc3ccccc3C)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748060 568950684 /nfs/dbraw/zinc/95/06/84/568950684.db2.gz SKLUVQVMZIMXKX-UHFFFAOYSA-N 0 0 426.520 4.612 50 0 IJAARN Cc1c(F)cccc1-n1nnc(C(=O)NCc2ccc(C(C)C)cc2)c1-c1ccccn1 ZINC000064757954 568952015 /nfs/dbraw/zinc/95/20/15/568952015.db2.gz DHIWZRRCEAKNPR-UHFFFAOYSA-N 0 0 429.499 4.830 50 0 IJAARN COCCCN(Cc1csc(COc2ccccc2C)n1)C(=O)c1ccc(OC)cc1 ZINC000036114873 568955225 /nfs/dbraw/zinc/95/52/25/568955225.db2.gz YMYVCSHXDDEQCF-UHFFFAOYSA-N 0 0 440.565 4.718 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)C ZINC000036116714 568955802 /nfs/dbraw/zinc/95/58/02/568955802.db2.gz UOHGUDMJOOVERD-JOCHJYFZSA-N 0 0 428.598 4.633 50 0 IJAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(C)=O ZINC000036119069 568956063 /nfs/dbraw/zinc/95/60/63/568956063.db2.gz MDPLWXHGRUKPBX-VGOFRKELSA-N 0 0 442.625 4.764 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(C)(C)C ZINC000036118865 568956120 /nfs/dbraw/zinc/95/61/20/568956120.db2.gz AANOQNSAFOFSIW-FQEVSTJZSA-N 0 0 442.625 4.907 50 0 IJAARN CC[C@@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787482 568956281 /nfs/dbraw/zinc/95/62/81/568956281.db2.gz WPBCXPORRZWTFA-NSBPVKJYSA-N 0 0 446.595 4.560 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1ccccc1 ZINC000036119571 568956808 /nfs/dbraw/zinc/95/68/08/568956808.db2.gz BPBAOXKSUXIHCG-HSZRJFAPSA-N 0 0 448.588 4.805 50 0 IJAARN Cc1ccc(C(=O)Oc2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)cc1 ZINC000064791244 568957351 /nfs/dbraw/zinc/95/73/51/568957351.db2.gz MHJQNILMOHCTFI-UHFFFAOYSA-N 0 0 436.475 4.766 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)CC(C)C ZINC000036120528 568957387 /nfs/dbraw/zinc/95/73/87/568957387.db2.gz JJPRZTOGQCOLIS-HXUWFJFHSA-N 0 0 446.588 4.677 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064801867 568961543 /nfs/dbraw/zinc/96/15/43/568961543.db2.gz QCRURRJANJIXAI-UHFFFAOYSA-N 0 0 437.569 4.628 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)c1ccco1)C(=O)N2Cc1ccccc1 ZINC000036152163 568963479 /nfs/dbraw/zinc/96/34/79/568963479.db2.gz VXUHJFMUTWXBHS-VWLOTQADSA-N 0 0 432.545 4.955 50 0 IJAARN O=C(Nc1ccccc1)N1CCS[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036151290 568964041 /nfs/dbraw/zinc/96/40/41/568964041.db2.gz QQAFZJWGCJFXAV-XMMPIXPASA-N 0 0 433.508 4.806 50 0 IJAARN O=C(NC1CCCC1)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816726 568964384 /nfs/dbraw/zinc/96/43/84/568964384.db2.gz CKFTWVAHEVRLSS-UHFFFAOYSA-N 0 0 448.954 4.813 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817405 568964484 /nfs/dbraw/zinc/96/44/84/568964484.db2.gz JVGSYEYMWRSKSR-UHFFFAOYSA-N 0 0 426.492 4.540 50 0 IJAARN COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000064818330 568966405 /nfs/dbraw/zinc/96/64/05/568966405.db2.gz CMXXPQHTBUHMPA-UHFFFAOYSA-N 0 0 425.916 4.737 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccc(F)c(F)c1 ZINC000036167177 568967685 /nfs/dbraw/zinc/96/76/85/568967685.db2.gz XDRAQQQAAODFPJ-DEOSSOPVSA-N 0 0 442.531 4.738 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1cccc(F)c1 ZINC000036164967 568968233 /nfs/dbraw/zinc/96/82/33/568968233.db2.gz QXRVRBCWZOFADP-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000064837689 568969586 /nfs/dbraw/zinc/96/95/86/568969586.db2.gz JOFSFZVYAODWSU-UHFFFAOYSA-N 0 0 425.279 4.661 50 0 IJAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)Nc3cccc(C(F)(F)F)c3)no2)c1 ZINC000064840337 568969685 /nfs/dbraw/zinc/96/96/85/568969685.db2.gz SQHXQBSVURKNLZ-UHFFFAOYSA-N 0 0 448.445 4.991 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000064847754 568971136 /nfs/dbraw/zinc/97/11/36/568971136.db2.gz MBJMCZUHGXUNNB-GOSISDBHSA-N 0 0 437.540 4.690 50 0 IJAARN O=C(CC1CCN(C(=O)Nc2ccccc2Br)CC1)NCc1ccc(F)cc1 ZINC000064847301 568971245 /nfs/dbraw/zinc/97/12/45/568971245.db2.gz VCXRJPTWDCDTNP-UHFFFAOYSA-N 0 0 448.336 4.539 50 0 IJAARN O=S(=O)(c1ccc(F)cc1F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848119 568971544 /nfs/dbraw/zinc/97/15/44/568971544.db2.gz WEQTXFURZKGIHG-UHFFFAOYSA-N 0 0 449.910 4.514 50 0 biogenic IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4noc(C5CCCC5)n4)cc3)CC2)cc1 ZINC000064844732 568971814 /nfs/dbraw/zinc/97/18/14/568971814.db2.gz SLCRCYJGEZRLPX-UHFFFAOYSA-N 0 0 444.535 4.559 50 0 IJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c(C)c1 ZINC000064862214 568974158 /nfs/dbraw/zinc/97/41/58/568974158.db2.gz KKGRHYAGDCTQLJ-UHFFFAOYSA-N 0 0 441.597 4.817 50 0 IJAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000064867242 568975172 /nfs/dbraw/zinc/97/51/72/568975172.db2.gz JMDWYVHXAFMSDP-UHFFFAOYSA-N 0 0 426.538 4.632 50 0 IJAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)Nc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869912 568976480 /nfs/dbraw/zinc/97/64/80/568976480.db2.gz JHLMIMIZFRFOTI-OAHLLOKOSA-N 0 0 439.537 4.748 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc3c(c2)CCC3)=Nc2ccccc2N1 ZINC000064869999 568976526 /nfs/dbraw/zinc/97/65/26/568976526.db2.gz GRSPQCRGULYFCH-UHFFFAOYSA-N 0 0 435.549 4.840 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccccc2F)=Nc2cc(C)c(C)cc2N1 ZINC000064869948 568976583 /nfs/dbraw/zinc/97/65/83/568976583.db2.gz WJAVYHWVOZIBGQ-UHFFFAOYSA-N 0 0 427.501 4.717 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000064887972 568979092 /nfs/dbraw/zinc/97/90/92/568979092.db2.gz OGKZPTRNNPEVLB-UHFFFAOYSA-N 0 0 433.939 4.670 50 0 IJAARN CC(C)n1c2ccc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)cc2[nH]c1=O ZINC000064891115 568981109 /nfs/dbraw/zinc/98/11/09/568981109.db2.gz RFRGAELGFNHVJG-UHFFFAOYSA-N 0 0 439.475 4.880 50 0 IJAARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246426 568981850 /nfs/dbraw/zinc/98/18/50/568981850.db2.gz LSIOTXIWYRIVGK-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000036247454 568982213 /nfs/dbraw/zinc/98/22/13/568982213.db2.gz VEVRTUHOCZQQMD-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1OC ZINC000036249402 568983221 /nfs/dbraw/zinc/98/32/21/568983221.db2.gz BMYWFASVZNDEEH-IBGZPJMESA-N 0 0 449.551 4.628 50 0 IJAARN CCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)ccc2=O)cc1 ZINC000064927314 568987141 /nfs/dbraw/zinc/98/71/41/568987141.db2.gz FQURZDKVRRNKEE-UHFFFAOYSA-N 0 0 444.579 4.773 50 0 IJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930342 568988628 /nfs/dbraw/zinc/98/86/28/568988628.db2.gz UOYASGSMGXMWAY-GOSISDBHSA-N 0 0 439.516 4.861 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930504 568988863 /nfs/dbraw/zinc/98/88/63/568988863.db2.gz SMZHXKNFTUDAIA-MRXNPFEDSA-N 0 0 445.907 4.952 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000036293385 568989931 /nfs/dbraw/zinc/98/99/31/568989931.db2.gz YXTNPFVTZPDDBM-MRXNPFEDSA-N 0 0 436.892 4.558 50 0 IJAARN Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681225 568992783 /nfs/dbraw/zinc/99/27/83/568992783.db2.gz CTFNIPVPKWYMKZ-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1 ZINC000064945153 568993375 /nfs/dbraw/zinc/99/33/75/568993375.db2.gz RZAUPMCONGDFJM-UHFFFAOYSA-N 0 0 436.537 4.672 50 0 IJAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303495 568993813 /nfs/dbraw/zinc/99/38/13/568993813.db2.gz QWWSUDDQLOPWDD-HXUWFJFHSA-N 0 0 443.975 4.846 50 0 IJAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc(C)cc4)cs3)c2N)cc1Cl ZINC000064948707 568994387 /nfs/dbraw/zinc/99/43/87/568994387.db2.gz GWXDGXBPSOOTNO-UHFFFAOYSA-N 0 0 427.917 4.619 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1 ZINC000064948676 568994564 /nfs/dbraw/zinc/99/45/64/568994564.db2.gz DHXMIVHJFWRUBA-UHFFFAOYSA-N 0 0 442.342 4.801 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000064947335 568995194 /nfs/dbraw/zinc/99/51/94/568995194.db2.gz USBYLZIQFOFISQ-UHFFFAOYSA-N 0 0 434.359 4.669 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1C ZINC000036312396 568997585 /nfs/dbraw/zinc/99/75/85/568997585.db2.gz HGWATETWDBWGMN-UHFFFAOYSA-N 0 0 433.552 4.929 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1 ZINC000036312161 568997659 /nfs/dbraw/zinc/99/76/59/568997659.db2.gz YYYQTMKBTMZLOZ-SFHVURJKSA-N 0 0 442.579 4.550 50 0 IJAARN COc1ccc(C(=O)N(Cc2c(-c3cccc(C)c3)noc2N2CCOCC2)C(C)C)cc1 ZINC000036314207 568998938 /nfs/dbraw/zinc/99/89/38/568998938.db2.gz KEKIXCXZOZZWMP-UHFFFAOYSA-N 0 0 449.551 4.546 50 0 IJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036314296 568999090 /nfs/dbraw/zinc/99/90/90/568999090.db2.gz FJPKHPJKWJAEFP-UHFFFAOYSA-N 0 0 437.515 4.678 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2C)c(C)o1 ZINC000064967516 569001146 /nfs/dbraw/zinc/00/11/46/569001146.db2.gz ILDKWNHQHGKVIP-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(Cl)cc4)oc3C)ccn2n1 ZINC000064977339 569076993 /nfs/dbraw/zinc/07/69/93/569076993.db2.gz CLNAMGPXOVHNLB-UHFFFAOYSA-N 0 0 446.894 4.837 50 0 IJAARN CCOC(=O)c1ccc(OC(=O)c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)cc1 ZINC000064977292 569077059 /nfs/dbraw/zinc/07/70/59/569077059.db2.gz QSWUQDPUFYBASN-UHFFFAOYSA-N 0 0 431.419 4.526 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000064977417 569077185 /nfs/dbraw/zinc/07/71/85/569077185.db2.gz OMQKHODAXMWTLM-UHFFFAOYSA-N 0 0 434.858 4.967 50 0 IJAARN Cc1ccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c(C)c1 ZINC000064977705 569077639 /nfs/dbraw/zinc/07/76/39/569077639.db2.gz YODOZRNCQAPSCA-UHFFFAOYSA-N 0 0 428.536 4.505 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3C)C2)cc1 ZINC000036344914 569080031 /nfs/dbraw/zinc/08/00/31/569080031.db2.gz PILJKEFHPGIYFY-HHHXNRCGSA-N 0 0 439.559 4.740 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036344967 569080401 /nfs/dbraw/zinc/08/04/01/569080401.db2.gz XUHCENILLDFYEA-SANMLTNESA-N 0 0 427.548 4.813 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344962 569080463 /nfs/dbraw/zinc/08/04/63/569080463.db2.gz HPZYUZLSJIWYRT-HHHXNRCGSA-N 0 0 439.559 4.740 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987254 569082485 /nfs/dbraw/zinc/08/24/85/569082485.db2.gz YHSOORFXZHHAAW-UHFFFAOYSA-N 0 0 444.944 4.511 50 0 IJAARN Cc1ccc(Oc2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000064986856 569082486 /nfs/dbraw/zinc/08/24/86/569082486.db2.gz HOWSOQHLNZETCD-UHFFFAOYSA-N 0 0 438.505 4.704 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccccc4Br)cc32)c1 ZINC000064990059 569083168 /nfs/dbraw/zinc/08/31/68/569083168.db2.gz WSAMFCNXUYZABO-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN COc1ccc(C)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064990629 569083321 /nfs/dbraw/zinc/08/33/21/569083321.db2.gz SOWOOJDDEMTOOR-GOSISDBHSA-N 0 0 429.520 4.917 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000036352261 569084096 /nfs/dbraw/zinc/08/40/96/569084096.db2.gz BKUWZPLPHFMTCP-GJZUVCINSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)cc3)c2C)sc1C(=O)NCc1ccccc1Cl ZINC000064998492 569085174 /nfs/dbraw/zinc/08/51/74/569085174.db2.gz QGYSPXUWRNAVIE-UHFFFAOYSA-N 0 0 437.956 4.899 50 0 IJAARN Cc1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000064999183 569085678 /nfs/dbraw/zinc/08/56/78/569085678.db2.gz ROJCQKRFDMSGKQ-UHFFFAOYSA-N 0 0 427.460 4.550 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccc(F)cc3F)c2C1 ZINC000065000027 569085810 /nfs/dbraw/zinc/08/58/10/569085810.db2.gz FMBWJLZPIVDBKA-UHFFFAOYSA-N 0 0 440.421 4.662 50 0 IJAARN CSc1ccc(CNC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000816 569086072 /nfs/dbraw/zinc/08/60/72/569086072.db2.gz MHOPZIDLAZUNMG-UHFFFAOYSA-N 0 0 446.572 4.645 50 0 IJAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NC1CCCC1 ZINC000065005455 569087187 /nfs/dbraw/zinc/08/71/87/569087187.db2.gz CXZYYMSJZOINMJ-UHFFFAOYSA-N 0 0 431.536 4.796 50 0 IJAARN Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000065007286 569087623 /nfs/dbraw/zinc/08/76/23/569087623.db2.gz PUVNMZVFLBKUPB-UHFFFAOYSA-N 0 0 442.625 4.513 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1Cl ZINC000065023534 569089286 /nfs/dbraw/zinc/08/92/86/569089286.db2.gz YITFGTAOTQLRMT-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000065025820 569090789 /nfs/dbraw/zinc/09/07/89/569090789.db2.gz CPLMWOMQXWFUCK-UHFFFAOYSA-N 0 0 447.608 4.657 50 0 IJAARN CC(C)C(=O)Nc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCCC2)cc1 ZINC000065027501 569091158 /nfs/dbraw/zinc/09/11/58/569091158.db2.gz DYGFSOINWCYGMV-UHFFFAOYSA-N 0 0 449.595 4.958 50 0 IJAARN COc1cc(OC)c(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1Cl ZINC000065031424 569091442 /nfs/dbraw/zinc/09/14/42/569091442.db2.gz OXCRDIVAIIEGRR-UHFFFAOYSA-N 0 0 449.894 4.985 50 0 IJAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2C(F)(F)F)c2cc(Cl)ccc2n1 ZINC000065033374 569091722 /nfs/dbraw/zinc/09/17/22/569091722.db2.gz WWXNNWHDGJEGAG-UHFFFAOYSA-N 0 0 438.789 4.711 50 0 IJAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccccc1Br ZINC000169753758 569093768 /nfs/dbraw/zinc/09/37/68/569093768.db2.gz PWVIGAQEBDWILL-HNNXBMFYSA-N 0 0 445.748 4.501 50 0 IJAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(-c2ccc(Cl)cc2)n1 ZINC000169756975 569093914 /nfs/dbraw/zinc/09/39/14/569093914.db2.gz GVWCKMLIGBZVCN-UHFFFAOYSA-N 0 0 434.298 4.947 50 0 IJAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)cn2)c1 ZINC000065057750 569095337 /nfs/dbraw/zinc/09/53/37/569095337.db2.gz LJHLKXDWPQHMRC-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN CCN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766679 569097207 /nfs/dbraw/zinc/09/72/07/569097207.db2.gz KGMHLTSTRUGRCX-IBGZPJMESA-N 0 0 433.430 4.630 50 0 IJAARN CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1 ZINC000065063523 569097639 /nfs/dbraw/zinc/09/76/39/569097639.db2.gz NDFSEQLBFDTUIW-UHFFFAOYSA-N 0 0 439.537 4.548 50 0 IJAARN CCOc1ccc(CCC2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1 ZINC000036392086 569098145 /nfs/dbraw/zinc/09/81/45/569098145.db2.gz ONTLCKNYRORYFP-JOCHJYFZSA-N 0 0 440.609 4.623 50 0 IJAARN CSc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000065074929 569099313 /nfs/dbraw/zinc/09/93/13/569099313.db2.gz PQPCGSQQCRJFCN-AREMUKBSSA-N 0 0 430.573 4.995 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075083 569099423 /nfs/dbraw/zinc/09/94/23/569099423.db2.gz FSLZRIDGGYUKDP-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(SC)c2)c1 ZINC000065075264 569099500 /nfs/dbraw/zinc/09/95/00/569099500.db2.gz LOKQLSRDJOYQJN-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4)C3)sc12 ZINC000065081373 569101505 /nfs/dbraw/zinc/10/15/05/569101505.db2.gz ITGNFJGJNCLDRJ-GOSISDBHSA-N 0 0 431.565 4.954 50 0 IJAARN COCCn1cc(C(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c2ccccc2c1=O ZINC000169774033 569102079 /nfs/dbraw/zinc/10/20/79/569102079.db2.gz OUWVYQKXEAGOJK-NRFANRHFSA-N 0 0 449.938 4.590 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)sc12 ZINC000065081542 569102100 /nfs/dbraw/zinc/10/21/00/569102100.db2.gz VHCZEUGBWGHYMZ-MRXNPFEDSA-N 0 0 441.576 4.595 50 0 IJAARN COc1ccc(Cl)cc1-n1nnc(C(=O)NCCC2=CCCCC2)c1-c1ccncc1 ZINC000065083183 569102172 /nfs/dbraw/zinc/10/21/72/569102172.db2.gz FCCIWBYUKUDTRY-UHFFFAOYSA-N 0 0 437.931 4.612 50 0 IJAARN COc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000065102407 569105988 /nfs/dbraw/zinc/10/59/88/569105988.db2.gz WMWIHEUOMFABIZ-UHFFFAOYSA-N 0 0 436.487 4.580 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c1 ZINC000065111003 569106173 /nfs/dbraw/zinc/10/61/73/569106173.db2.gz UTLJADRNXNRWDX-INIZCTEOSA-N 0 0 439.537 4.564 50 0 IJAARN Cc1ccc(-c2noc(-c3nn(CC(=O)NC4CCC(C)CC4)c4ccccc43)n2)cc1 ZINC000065111292 569106298 /nfs/dbraw/zinc/10/62/98/569106298.db2.gz VDJOYYBOQJYUBD-UHFFFAOYSA-N 0 0 429.524 4.757 50 0 IJAARN Cc1ccc(CNC(=O)Cn2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc32)cc1 ZINC000065111335 569106489 /nfs/dbraw/zinc/10/64/89/569106489.db2.gz QUZCIEBEDZPCJJ-UHFFFAOYSA-N 0 0 437.503 4.687 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)cc1 ZINC000065114554 569106570 /nfs/dbraw/zinc/10/65/70/569106570.db2.gz KAKWTRXOAHGJCS-MRXNPFEDSA-N 0 0 432.524 4.731 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c1 ZINC000065116327 569107332 /nfs/dbraw/zinc/10/73/32/569107332.db2.gz XDXKOMCCQQBJAO-UHFFFAOYSA-N 0 0 447.944 4.933 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000065111887 569107760 /nfs/dbraw/zinc/10/77/60/569107760.db2.gz BVKQNPPNQHOGRN-UHFFFAOYSA-N 0 0 425.554 4.503 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)no2)cc1 ZINC000065111911 569107795 /nfs/dbraw/zinc/10/77/95/569107795.db2.gz WMDIKLPNSYXHCE-UHFFFAOYSA-N 0 0 425.554 4.737 50 0 IJAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000065136912 569110452 /nfs/dbraw/zinc/11/04/52/569110452.db2.gz VVOWHRXGPDURLU-GOSISDBHSA-N 0 0 429.948 4.689 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2nc3c(Oc4ccc(C(C)C)cc4)nccn3c2=O)cc1 ZINC000065150685 569111238 /nfs/dbraw/zinc/11/12/38/569111238.db2.gz WUPJLXUYLBBIEG-UHFFFAOYSA-N 0 0 445.523 4.569 50 0 IJAARN COc1cc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc(OC)c1 ZINC000065153884 569112226 /nfs/dbraw/zinc/11/22/26/569112226.db2.gz YWKQUZYMATWIHT-UHFFFAOYSA-N 0 0 426.476 4.784 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)cc1 ZINC000065166039 569113123 /nfs/dbraw/zinc/11/31/23/569113123.db2.gz CKSVOSJHOYVVGM-SFHVURJKSA-N 0 0 435.568 4.915 50 0 IJAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)NCc4ccccc4F)c3)n2)cc1 ZINC000065185623 569113768 /nfs/dbraw/zinc/11/37/68/569113768.db2.gz VHCGDPYOPPSSLN-UHFFFAOYSA-N 0 0 434.496 4.655 50 0 IJAARN COc1ccc(NC(=O)CSc2cc(-c3nc(-c4ccc(C)cc4)no3)ccn2)cc1 ZINC000065185611 569114339 /nfs/dbraw/zinc/11/43/39/569114339.db2.gz DYWZSKHBDOIYHA-UHFFFAOYSA-N 0 0 432.505 4.846 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCCCC1 ZINC000065178560 569114470 /nfs/dbraw/zinc/11/44/70/569114470.db2.gz BVMHOTYWHXMKGA-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN COc1ccc([C@@H](NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000036489980 569114647 /nfs/dbraw/zinc/11/46/47/569114647.db2.gz DCMKUKOOWBVXTO-NVQXNPDNSA-N 0 0 438.568 4.507 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1)c1ccc(F)c(Cl)c1 ZINC000065209288 569116132 /nfs/dbraw/zinc/11/61/32/569116132.db2.gz RYKDEWTXPYHAIZ-HXUWFJFHSA-N 0 0 442.922 4.956 50 0 IJAARN CCC(=O)Nc1ccc2nnc(-c3ccc(C(=O)Nc4cc(C)ccc4Cl)cc3)n2c1 ZINC000065209836 569116461 /nfs/dbraw/zinc/11/64/61/569116461.db2.gz FNPLLRBLTNYFQC-UHFFFAOYSA-N 0 0 433.899 4.959 50 0 IJAARN CC(C)N1c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2Sc2ncccc2C1=O ZINC000065241412 569121025 /nfs/dbraw/zinc/12/10/25/569121025.db2.gz JTAOTDDQNNURRJ-UHFFFAOYSA-N 0 0 447.516 4.625 50 0 IJAARN O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615436 569122546 /nfs/dbraw/zinc/12/25/46/569122546.db2.gz JOHPJOWTMUZHLG-QGZVFWFLSA-N 0 0 433.270 4.509 50 0 IJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NC[C@H](C)Cn1nc(C)cc1C ZINC000036613451 569123840 /nfs/dbraw/zinc/12/38/40/569123840.db2.gz AGQGUVSYVUGQRJ-KRWDZBQOSA-N 0 0 444.583 4.614 50 0 IJAARN Clc1ccccc1N1CCN(c2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258276 569124339 /nfs/dbraw/zinc/12/43/39/569124339.db2.gz AIQCMTIOECOLOO-UHFFFAOYSA-N 0 0 432.915 4.537 50 0 IJAARN Clc1cccc(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)c1 ZINC000065258239 569124372 /nfs/dbraw/zinc/12/43/72/569124372.db2.gz LTKDPEGKBRIAOA-UHFFFAOYSA-N 0 0 432.915 4.537 50 0 IJAARN COc1ccc(C2(C(=O)Nc3ccc4c(c3)Sc3ncccc3C(=O)N4C)CC2)cc1 ZINC000065258422 569124495 /nfs/dbraw/zinc/12/44/95/569124495.db2.gz KIZFOZUTXZFGSN-UHFFFAOYSA-N 0 0 431.517 4.502 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013134553 569125472 /nfs/dbraw/zinc/12/54/72/569125472.db2.gz AEMIMJHTZXCPPJ-OAQYLSRUSA-N 0 0 427.331 4.651 50 0 IJAARN COc1ccccc1[C@H]1c2cn(CC(C)C)c3cccc(c23)NC2=C1C(=O)N(C(C)=O)C2 ZINC000524730260 569125930 /nfs/dbraw/zinc/12/59/30/569125930.db2.gz BJRNNIYPTKTMOF-QHCPKHFHSA-N 0 0 429.520 4.506 50 0 biogenic IJAARN COCc1nc(-c2cccc(NC(=O)C[C@H](c3ccc(Cl)cc3)n3cccc3)c2)n[nH]1 ZINC000524735235 569128158 /nfs/dbraw/zinc/12/81/58/569128158.db2.gz JLBONWKLKIOCQV-HXUWFJFHSA-N 0 0 435.915 4.691 50 0 IJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1cccc(Br)c1 ZINC000065272509 569129133 /nfs/dbraw/zinc/12/91/33/569129133.db2.gz DTQPCOBOIRKVRA-UHFFFAOYSA-N 0 0 437.297 4.543 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(C)c(C)c3)sc12 ZINC000065294086 569131158 /nfs/dbraw/zinc/13/11/58/569131158.db2.gz SWOHCJPAPJTGIP-QGZVFWFLSA-N 0 0 433.581 4.721 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccn4c(c3)nnc4-c3cccc(Cl)c3)CC2)c1 ZINC000065296705 569131608 /nfs/dbraw/zinc/13/16/08/569131608.db2.gz SBZJTURJTOITIO-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC(NC(=O)CCc4ccccc4)CC3)sc12 ZINC000065299840 569132142 /nfs/dbraw/zinc/13/21/42/569132142.db2.gz QJWPKJWPLMZOPC-UHFFFAOYSA-N 0 0 445.592 4.508 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)c4ccccc4C)CC3)sc12 ZINC000065300211 569132286 /nfs/dbraw/zinc/13/22/86/569132286.db2.gz ADVFLAXKTSKVPA-UHFFFAOYSA-N 0 0 445.592 4.760 50 0 IJAARN COc1ccc(NC(=O)CSc2ncccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000065315588 569134100 /nfs/dbraw/zinc/13/41/00/569134100.db2.gz RRMMNKPULCZRFY-UHFFFAOYSA-N 0 0 432.505 4.846 50 0 IJAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccc(N(C)C)cc3)n2)cc1 ZINC000065315589 569134153 /nfs/dbraw/zinc/13/41/53/569134153.db2.gz VBGDNSMREQHRFW-UHFFFAOYSA-N 0 0 445.548 4.904 50 0 IJAARN Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)cc1C ZINC000065315650 569134195 /nfs/dbraw/zinc/13/41/95/569134195.db2.gz QISQKILKWVIAKG-UHFFFAOYSA-N 0 0 444.579 4.597 50 0 IJAARN Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCC(C)CC5)c4c3)CC2)cc1 ZINC000065315711 569134228 /nfs/dbraw/zinc/13/42/28/569134228.db2.gz RHSGCHOEOJMFEQ-UHFFFAOYSA-N 0 0 444.579 4.535 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1 ZINC000036705821 569134575 /nfs/dbraw/zinc/13/45/75/569134575.db2.gz WMHXZHVLHWDYJR-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN COCCCNc1c(-c2cc(OC)c(OC)c(OC)c2)nc2sc3cc(C)ccc3n21 ZINC000065319312 569134790 /nfs/dbraw/zinc/13/47/90/569134790.db2.gz HQQHZXHHUVSVJH-UHFFFAOYSA-N 0 0 441.553 4.999 50 0 IJAARN Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)c1 ZINC000065320842 569136235 /nfs/dbraw/zinc/13/62/35/569136235.db2.gz ALAFYWIMNUFEHJ-HXUWFJFHSA-N 0 0 425.554 4.805 50 0 IJAARN CCCn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000065322482 569136721 /nfs/dbraw/zinc/13/67/21/569136721.db2.gz TZEFHKFBFXLLMT-UHFFFAOYSA-N 0 0 426.948 4.713 50 0 IJAARN COc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000065331637 569137307 /nfs/dbraw/zinc/13/73/07/569137307.db2.gz HJXJYEOVMLZEQB-UHFFFAOYSA-N 0 0 439.269 4.640 50 0 IJAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000036859413 569138554 /nfs/dbraw/zinc/13/85/54/569138554.db2.gz ZVCJBBIIOKTUBN-AREMUKBSSA-N 0 0 443.632 4.672 50 0 IJAARN O=C(CCC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1)c1ccc(F)cc1 ZINC000065554524 569139757 /nfs/dbraw/zinc/13/97/57/569139757.db2.gz MYTGCCJBESNELR-UHFFFAOYSA-N 0 0 429.289 4.617 50 0 IJAARN Cc1cc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1Br ZINC000065588680 569139917 /nfs/dbraw/zinc/13/99/17/569139917.db2.gz KACPXJFQVCTQKS-OAHLLOKOSA-N 0 0 440.382 4.868 50 0 IJAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1Cl ZINC000170592138 569141028 /nfs/dbraw/zinc/14/10/28/569141028.db2.gz LDPXWZITILZRBF-KRWDZBQOSA-N 0 0 449.363 4.615 50 0 IJAARN Cc1ccc2nc(COc3cccc(C(=O)N(CC(F)F)C[C@@H]4CCC=CO4)c3)cn2c1 ZINC000170600581 569142725 /nfs/dbraw/zinc/14/27/25/569142725.db2.gz CTGOJAATXGNEDI-NRFANRHFSA-N 0 0 441.478 4.622 50 0 IJAARN O=C(N[C@H]1CCc2c1cccc2Cl)c1nc(Br)ccc1Br ZINC000170611122 569145137 /nfs/dbraw/zinc/14/51/37/569145137.db2.gz YQDZPXZVLOJDJQ-LBPRGKRZSA-N 0 0 430.527 4.677 50 0 IJAARN CCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612689 569146163 /nfs/dbraw/zinc/14/61/63/569146163.db2.gz XAOFRGHSLIGJSC-IBGZPJMESA-N 0 0 443.956 4.706 50 0 IJAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000170618700 569147113 /nfs/dbraw/zinc/14/71/13/569147113.db2.gz NULNGZVKBUOTJF-FQEVSTJZSA-N 0 0 442.466 4.504 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)c2cccs2)c(OC)c1OC ZINC000170618985 569147467 /nfs/dbraw/zinc/14/74/67/569147467.db2.gz ANRPAYYIRNBZLQ-INIZCTEOSA-N 0 0 428.535 4.827 50 0 IJAARN C[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@@H](c2ccccc2)O1 ZINC000170621984 569147730 /nfs/dbraw/zinc/14/77/30/569147730.db2.gz SYEWSJFGGTWCTH-AVRDEDQJSA-N 0 0 428.960 4.560 50 0 IJAARN CC(C)(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)c4ccccc4[C@@H]23)cc1 ZINC000170621849 569147744 /nfs/dbraw/zinc/14/77/44/569147744.db2.gz OWHVNGPMCLATHU-VWLOTQADSA-N 0 0 434.499 4.791 50 0 IJAARN C[C@@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@@H](c2ccccc2)O1 ZINC000170621983 569147760 /nfs/dbraw/zinc/14/77/60/569147760.db2.gz SYEWSJFGGTWCTH-GCJKJVERSA-N 0 0 428.960 4.560 50 0 IJAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1SCc1ccccc1 ZINC000009870109 569149335 /nfs/dbraw/zinc/14/93/35/569149335.db2.gz FDGPRNNLONPFKJ-UHFFFAOYSA-N 0 0 437.546 4.886 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccco1 ZINC000009869434 569149339 /nfs/dbraw/zinc/14/93/39/569149339.db2.gz AFBYWGGAGDGPFZ-OAHLLOKOSA-N 0 0 430.599 4.998 50 0 IJAARN O=C(COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)NCc1ccco1 ZINC000009883989 569150209 /nfs/dbraw/zinc/15/02/09/569150209.db2.gz HVCKZFJFCGMFER-UHFFFAOYSA-N 0 0 438.530 4.655 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCCC2)[C@H](c2ccc(S(C)(=O)=O)cc2)S1 ZINC000071285684 569150913 /nfs/dbraw/zinc/15/09/13/569150913.db2.gz JFXYWVNYFHCFPL-IBGZPJMESA-N 0 0 433.599 4.751 50 0 IJAARN O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc([C@@H]2CCCO2)s1 ZINC000071287072 569150925 /nfs/dbraw/zinc/15/09/25/569150925.db2.gz POBDZWJTANWLQC-NRFANRHFSA-N 0 0 448.548 4.952 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000010026726 569151680 /nfs/dbraw/zinc/15/16/80/569151680.db2.gz WVPDFFWLBGLQDS-UHFFFAOYSA-N 0 0 430.556 4.868 50 0 IJAARN COc1ccc(-c2cc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)ccc2OC)cc1 ZINC000010027855 569151792 /nfs/dbraw/zinc/15/17/92/569151792.db2.gz NEYJBQCHPXWMHX-GHTZIAJQSA-N 0 0 444.531 4.919 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)c(OC)c1 ZINC000010027626 569151802 /nfs/dbraw/zinc/15/18/02/569151802.db2.gz CHNCVMBNPRGURH-HSZRJFAPSA-N 0 0 436.508 4.865 50 0 IJAARN Cc1cc(C)cc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 ZINC000010027592 569151805 /nfs/dbraw/zinc/15/18/05/569151805.db2.gz DVGLOZVMMNAKFX-UHFFFAOYSA-N 0 0 425.532 4.827 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2OC)cc1 ZINC000010060290 569152439 /nfs/dbraw/zinc/15/24/39/569152439.db2.gz KTFRDXULSCNXTI-PKTZIBPZSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(OC)c2)cc1 ZINC000010060280 569152461 /nfs/dbraw/zinc/15/24/61/569152461.db2.gz SRSAVJRSYQEHDA-DNQXCXABSA-N 0 0 440.503 4.677 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010060251 569152501 /nfs/dbraw/zinc/15/25/01/569152501.db2.gz PMMGNIYWLHFDQO-JOCHJYFZSA-N 0 0 426.925 4.637 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 ZINC000010217562 569153374 /nfs/dbraw/zinc/15/33/74/569153374.db2.gz MERQUBQQKJGIOP-QGZVFWFLSA-N 0 0 429.567 4.502 50 0 IJAARN O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000010255585 569154093 /nfs/dbraw/zinc/15/40/93/569154093.db2.gz YHJCZPMXJHANOU-AWEZNQCLSA-N 0 0 425.381 4.900 50 0 IJAARN COc1ccc(C2(CNC(=O)c3cccc4c5c([nH]c43)CC[C@H](C)C5)CCOCC2)cc1 ZINC000071823552 569154747 /nfs/dbraw/zinc/15/47/47/569154747.db2.gz DCORJGPZEWGTRR-SFHVURJKSA-N 0 0 432.564 4.780 50 0 IJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000013303308 569154908 /nfs/dbraw/zinc/15/49/08/569154908.db2.gz RSYGIFKBWDBGLS-UHFFFAOYSA-N 0 0 440.543 4.697 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579409 569156199 /nfs/dbraw/zinc/15/61/99/569156199.db2.gz BHIAAOVRSKOBRC-JLPGSUDCSA-N 0 0 443.934 4.951 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013695463 569156518 /nfs/dbraw/zinc/15/65/18/569156518.db2.gz KJLWZBXRBPDXBI-UHFFFAOYSA-N 0 0 431.275 4.807 50 0 IJAARN COc1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc(OC)c1OC ZINC000014268769 569158347 /nfs/dbraw/zinc/15/83/47/569158347.db2.gz AXTPGYXJZPJNJC-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000014371166 569158789 /nfs/dbraw/zinc/15/87/89/569158789.db2.gz ZTNVDDDUFJCFGA-UHFFFAOYSA-N 0 0 433.411 4.536 50 0 IJAARN O=C(COc1ccc(Br)cc1F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014390016 569158957 /nfs/dbraw/zinc/15/89/57/569158957.db2.gz XNNASNLADCIDEK-UHFFFAOYSA-N 0 0 449.345 4.983 50 0 IJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(=O)c2ccccc2o1 ZINC000014502662 569159272 /nfs/dbraw/zinc/15/92/72/569159272.db2.gz UIDHAUHYYTXAMC-UHFFFAOYSA-N 0 0 435.483 4.635 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc3ccc(C(=O)Nc4ccc(C)cc4)cn32)cc1 ZINC000016843177 569163541 /nfs/dbraw/zinc/16/35/41/569163541.db2.gz YQMGDGQFUCAGID-UHFFFAOYSA-N 0 0 445.548 4.583 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccc(F)cc2C)c1C ZINC000016844418 569163747 /nfs/dbraw/zinc/16/37/47/569163747.db2.gz IVFQYMOYJYOKKD-UHFFFAOYSA-N 0 0 440.862 4.997 50 0 IJAARN CCOc1ccccc1-n1nnc(C(=O)OCc2nc(-c3ccc(C)cc3)oc2C)c1C ZINC000016845707 569163900 /nfs/dbraw/zinc/16/39/00/569163900.db2.gz UVGWHTJBFYFBDG-UHFFFAOYSA-N 0 0 432.480 4.603 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000016846413 569163948 /nfs/dbraw/zinc/16/39/48/569163948.db2.gz ZZJKFMJVDHDCNF-UHFFFAOYSA-N 0 0 431.926 4.944 50 0 IJAARN O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000089826187 569165148 /nfs/dbraw/zinc/16/51/48/569165148.db2.gz QIINJAHMVDTYIO-WMZOPIPTSA-N 0 0 426.460 4.655 50 0 IJAARN O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000089826181 569165171 /nfs/dbraw/zinc/16/51/71/569165171.db2.gz QIINJAHMVDTYIO-SJLPKXTDSA-N 0 0 426.460 4.655 50 0 IJAARN C[C@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891127 569165663 /nfs/dbraw/zinc/16/56/63/569165663.db2.gz ZMUYOBKNTITZLC-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891350 569165704 /nfs/dbraw/zinc/16/57/04/569165704.db2.gz ZMJSYKCAJITWCN-IERDGZPVSA-N 0 0 429.586 4.631 50 0 IJAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1OC ZINC000016960753 569168308 /nfs/dbraw/zinc/16/83/08/569168308.db2.gz VFWRAWKRJJMAAB-UHFFFAOYSA-N 0 0 425.329 4.904 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000016971361 569168535 /nfs/dbraw/zinc/16/85/35/569168535.db2.gz ULVCXSOXCPWGEI-UHFFFAOYSA-N 0 0 428.891 4.921 50 0 IJAARN Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1 ZINC000017010527 569170194 /nfs/dbraw/zinc/17/01/94/569170194.db2.gz CGKBASZNQOOYOY-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037356586 569172276 /nfs/dbraw/zinc/17/22/76/569172276.db2.gz QJGISBOJVISZFT-HNNXBMFYSA-N 0 0 432.927 4.679 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3cccc(Cl)c3)[C@H](C)C2)ncn1 ZINC000037356856 569173048 /nfs/dbraw/zinc/17/30/48/569173048.db2.gz HZIDBBRXERRUTB-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000017149951 569174837 /nfs/dbraw/zinc/17/48/37/569174837.db2.gz HBVBXHHNAJEAMG-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc(-n2cnnc2)ccc1Cl ZINC000001076860 569176658 /nfs/dbraw/zinc/17/66/58/569176658.db2.gz SONOJTINKBTGJT-UHFFFAOYSA-N 0 0 442.862 4.946 50 0 IJAARN Cc1cccc(-n2nc3nc(NC[C@@H]4CCCO4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037359505 569177382 /nfs/dbraw/zinc/17/73/82/569177382.db2.gz ZRJGEVAMTIKZEU-SFHVURJKSA-N 0 0 434.931 4.617 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc21 ZINC000002083024 569177826 /nfs/dbraw/zinc/17/78/26/569177826.db2.gz VNFWPPRRQWKNKW-UHFFFAOYSA-N 0 0 433.254 4.526 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002092303 569178817 /nfs/dbraw/zinc/17/88/17/569178817.db2.gz PADFKGPTMQWRAX-INIZCTEOSA-N 0 0 437.920 4.854 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCCNC(=O)OCc3ccccc3)c12 ZINC000002095481 569179116 /nfs/dbraw/zinc/17/91/16/569179116.db2.gz ASLACELPQSXZLV-UHFFFAOYSA-N 0 0 437.492 4.666 50 0 biogenic IJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(OC)cc3)nnc2-c2cccnc2)cc1 ZINC000001250215 569180089 /nfs/dbraw/zinc/18/00/89/569180089.db2.gz NRHQKZFCMRZIGJ-UHFFFAOYSA-N 0 0 446.532 4.712 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002422028 569180743 /nfs/dbraw/zinc/18/07/43/569180743.db2.gz VLYLLDPJAHYSGC-UHFFFAOYSA-N 0 0 427.595 4.704 50 0 IJAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(Cl)cc1)CCCC3 ZINC000002578399 569180887 /nfs/dbraw/zinc/18/08/87/569180887.db2.gz FAMUGYDBFOLNOA-UHFFFAOYSA-N 0 0 433.986 4.741 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N12 ZINC000002116660 569182432 /nfs/dbraw/zinc/18/24/32/569182432.db2.gz NZYTYXGXMUGHIC-WIOPSUGQSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN C[C@@H](SCCC(=O)Nc1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 ZINC000027189060 569184528 /nfs/dbraw/zinc/18/45/28/569184528.db2.gz PSKCTHHIMTWDIM-CYBMUJFWSA-N 0 0 428.949 4.674 50 0 IJAARN Cc1ccc(Oc2ccc(NS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cn2)cc1C ZINC000170642417 569185425 /nfs/dbraw/zinc/18/54/25/569185425.db2.gz NSASAEUYXNSEBB-SBUREZEXSA-N 0 0 428.554 4.628 50 0 IJAARN Cn1ccc2cc([C@H](O)CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000252484945 569186547 /nfs/dbraw/zinc/18/65/47/569186547.db2.gz GKWRBYVELXUWGB-QGZVFWFLSA-N 0 0 430.348 4.679 50 0 IJAARN CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CC2)C(=O)C1CCC1 ZINC000037377916 569186779 /nfs/dbraw/zinc/18/67/79/569186779.db2.gz QEKQHZJGMWPEPY-UHFFFAOYSA-N 0 0 428.580 4.579 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)c1 ZINC000002157390 569187557 /nfs/dbraw/zinc/18/75/57/569187557.db2.gz JAGMHCWWFUEGMY-ZCYQVOJMSA-N 0 0 437.499 4.655 50 0 biogenic IJAARN COc1ccc(Oc2coc3cc(OCC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1 ZINC000002157694 569187677 /nfs/dbraw/zinc/18/76/77/569187677.db2.gz NSYRISSXDKGXKD-UHFFFAOYSA-N 0 0 432.428 4.864 50 0 biogenic IJAARN CCCCNc1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(OCC(F)(F)F)n1 ZINC000002192281 569190617 /nfs/dbraw/zinc/19/06/17/569190617.db2.gz MQOLCTADLLVGPA-UHFFFAOYSA-N 0 0 441.788 4.936 50 0 IJAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2Br)sc2c1CCCC2 ZINC000002192372 569190647 /nfs/dbraw/zinc/19/06/47/569190647.db2.gz RVXNLBJHXVOUFO-NSHDSACASA-N 0 0 438.343 4.582 50 0 IJAARN O=C(NCCc1ccccn1)[C@H](c1ccccc1)n1c(Cc2ccccc2)nc2ccccc21 ZINC000037398247 569193774 /nfs/dbraw/zinc/19/37/74/569193774.db2.gz BBUHJGSBFKYREN-NDEPHWFRSA-N 0 0 446.554 4.970 50 0 IJAARN CC(C)CN(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)c1cccs1 ZINC000037400580 569194934 /nfs/dbraw/zinc/19/49/34/569194934.db2.gz IKYLJXQOKLNMQW-UHFFFAOYSA-N 0 0 447.553 4.953 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)C ZINC000037400704 569195065 /nfs/dbraw/zinc/19/50/65/569195065.db2.gz YXJIQEZERFOYNP-GOSISDBHSA-N 0 0 433.570 4.636 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N(CCC(=O)NC3CC3)Cc3ccccc3)cs2)c1 ZINC000037426230 569195802 /nfs/dbraw/zinc/19/58/02/569195802.db2.gz YIROCPONWZTKJU-UHFFFAOYSA-N 0 0 434.565 4.506 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000037443114 569197031 /nfs/dbraw/zinc/19/70/31/569197031.db2.gz IBAALCYQPXUOJQ-DZTNWFRXSA-N 0 0 449.620 4.855 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000037444292 569197144 /nfs/dbraw/zinc/19/71/44/569197144.db2.gz QZRZCEZOOJEPLG-BCFTUSIQSA-N 0 0 449.551 4.697 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000037524199 569198380 /nfs/dbraw/zinc/19/83/80/569198380.db2.gz CWPKPJAOTDMYAG-FQEVSTJZSA-N 0 0 433.596 4.843 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2F)CC1 ZINC000037526109 569199103 /nfs/dbraw/zinc/19/91/03/569199103.db2.gz CUYXZSCVGDCIKS-UHFFFAOYSA-N 0 0 428.529 4.614 50 0 IJAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c1)C1CC1 ZINC000037544503 569199635 /nfs/dbraw/zinc/19/96/35/569199635.db2.gz NMECOJPQQLKTDG-UHFFFAOYSA-N 0 0 433.430 4.766 50 0 IJAARN COc1cc(Cn2c(C(=O)NCC3CC3)cc3scc(Br)c32)cc(OC)c1 ZINC000037544325 569199679 /nfs/dbraw/zinc/19/96/79/569199679.db2.gz IQJDUCWPDNGLQX-UHFFFAOYSA-N 0 0 449.370 4.671 50 0 IJAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000037556979 569200659 /nfs/dbraw/zinc/20/06/59/569200659.db2.gz ITILFBZOHPVYNL-QHCPKHFHSA-N 0 0 448.588 4.741 50 0 IJAARN CCOC(=O)C1=C(CC)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C[C@H]1c1ccccc1Cl ZINC000037576141 569201347 /nfs/dbraw/zinc/20/13/47/569201347.db2.gz QILUBEDFUHJABW-SFHVURJKSA-N 0 0 442.899 4.992 50 0 IJAARN CC(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000037614077 569203063 /nfs/dbraw/zinc/20/30/63/569203063.db2.gz LPICTNCFCNYBHW-GHTZIAJQSA-N 0 0 436.449 4.769 50 0 IJAARN COc1cccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002219539 569204279 /nfs/dbraw/zinc/20/42/79/569204279.db2.gz MHVUBKZQYCNMKC-INIZCTEOSA-N 0 0 437.503 4.656 50 0 IJAARN COc1cccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002219541 569204332 /nfs/dbraw/zinc/20/43/32/569204332.db2.gz MHVUBKZQYCNMKC-MRXNPFEDSA-N 0 0 437.503 4.656 50 0 IJAARN CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)CC(=O)N2 ZINC000066091346 569205795 /nfs/dbraw/zinc/20/57/95/569205795.db2.gz ZFZMKWLCRNAVEF-OAHLLOKOSA-N 0 0 429.929 4.900 50 0 IJAARN CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1C ZINC000252675454 569210269 /nfs/dbraw/zinc/21/02/69/569210269.db2.gz TZTCYUFFWMCVPR-UHFFFAOYSA-N 0 0 442.540 4.743 50 0 IJAARN COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1OCc1ccccc1Cl ZINC000252677448 569210581 /nfs/dbraw/zinc/21/05/81/569210581.db2.gz YUBRIHNODZHZAA-UHFFFAOYSA-N 0 0 448.931 4.698 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F ZINC000003024259 569211289 /nfs/dbraw/zinc/21/12/89/569211289.db2.gz XDEGQUFFBJUIGX-UHFFFAOYSA-N 0 0 445.343 4.950 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002234929 569211935 /nfs/dbraw/zinc/21/19/35/569211935.db2.gz AXMJAGCSBASFPQ-NRFANRHFSA-N 0 0 441.911 4.815 50 0 IJAARN O=C1S/C(=C2/c3ccccc3N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1 ZINC000001090144 569212400 /nfs/dbraw/zinc/21/24/00/569212400.db2.gz NZDBMZHTPUSBAA-DQRAZIAOSA-N 0 0 426.497 4.840 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1c1nccs1 ZINC000002245093 569213525 /nfs/dbraw/zinc/21/35/25/569213525.db2.gz IMAWCLBFFXCLFU-MRXNPFEDSA-N 0 0 439.290 4.762 50 0 IJAARN CC(C)Cn1c(N)c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21 ZINC000002244863 569213854 /nfs/dbraw/zinc/21/38/54/569213854.db2.gz XUXVMKYNORRURA-UHFFFAOYSA-N 0 0 449.363 4.962 50 0 IJAARN Cc1ccc(CNC(=O)c2c(N)n(Cc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002245423 569214221 /nfs/dbraw/zinc/21/42/21/569214221.db2.gz AWRYEFJVYRFXRC-UHFFFAOYSA-N 0 0 435.531 4.762 50 0 IJAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(OC)ccc2O[C@H]3c2cccs2)cc1 ZINC000019928342 569257422 /nfs/dbraw/zinc/25/74/22/569257422.db2.gz WEQZOHLFYLWVJN-GOTSBHOMSA-N 0 0 444.516 4.917 50 0 IJAARN Cc1noc(C)c1-c1cc(Cl)c2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2 ZINC000217956943 569259001 /nfs/dbraw/zinc/25/90/01/569259001.db2.gz PDKDOPJQPKXNCT-UHFFFAOYSA-N 0 0 446.334 4.769 50 0 IJAARN CCCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000027522956 569262723 /nfs/dbraw/zinc/26/27/23/569262723.db2.gz CVZQJGITIWVNOA-UHFFFAOYSA-N 0 0 431.467 4.765 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2[C@H](O)c2ccc(Br)cc2)cc1 ZINC000002281966 569263301 /nfs/dbraw/zinc/26/33/01/569263301.db2.gz NXNQKEVQXWKHLM-HXUWFJFHSA-N 0 0 432.339 4.640 50 0 IJAARN COc1ccc(-n2c3nnc(SC(C)C)n3c3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002286114 569263849 /nfs/dbraw/zinc/26/38/49/569263849.db2.gz ZEHIFMJIQWSCCS-UHFFFAOYSA-N 0 0 440.594 4.873 50 0 IJAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000253413541 569265974 /nfs/dbraw/zinc/26/59/74/569265974.db2.gz VBGJIUSOTGNPAO-OAQYLSRUSA-N 0 0 445.519 4.673 50 0 biogenic IJAARN C[C@@H](NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002290868 569267907 /nfs/dbraw/zinc/26/79/07/569267907.db2.gz PSKPEORVNSABCU-GOSISDBHSA-N 0 0 435.531 4.900 50 0 IJAARN CCCCCCNC(=O)c1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc21 ZINC000002306847 569271804 /nfs/dbraw/zinc/27/18/04/569271804.db2.gz XZCOEQUCQRMJIK-UHFFFAOYSA-N 0 0 433.531 4.859 50 0 IJAARN CCOP(=O)(OCC)[C@H](Nc1ccc(C(=O)OC)cc1)c1ccc(OC)cc1OC ZINC000027570691 569273215 /nfs/dbraw/zinc/27/32/15/569273215.db2.gz GBSCJDNHLWUAFE-FQEVSTJZSA-N 0 0 437.429 4.867 50 0 IJAARN O=[N+]([O-])C(=C(Cl)C(Cl)Cl)C(=Nc1ccc(F)cc1)n1nnc2ccccc21 ZINC000027571319 569273524 /nfs/dbraw/zinc/27/35/24/569273524.db2.gz OFRSZZBVLFHIOZ-JQIJEIRASA-N 0 0 428.638 4.971 50 0 IJAARN CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002319603 569273598 /nfs/dbraw/zinc/27/35/98/569273598.db2.gz XLQUTXAXXDCQCU-LOSJGSFVSA-N 0 0 440.543 4.942 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2ccccc2O)sc(C)c1-c1ccc(OC)c(OC)c1 ZINC000002320841 569274084 /nfs/dbraw/zinc/27/40/84/569274084.db2.gz ZCZIICKANGXYIB-UHFFFAOYSA-N 0 0 441.505 4.875 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 ZINC000002335264 569274778 /nfs/dbraw/zinc/27/47/78/569274778.db2.gz HYNGKFDWUNUSDZ-UHFFFAOYSA-N 0 0 430.508 4.952 50 0 IJAARN C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253530691 569283832 /nfs/dbraw/zinc/28/38/32/569283832.db2.gz PZNPHSFXILSZTM-OUOMRDIJSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533895 569284053 /nfs/dbraw/zinc/28/40/53/569284053.db2.gz SDHHPVPFUVQWKY-UPUDKECXSA-N 0 0 428.569 4.938 50 0 IJAARN CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@](C)(CC)Cc2ccccc2-1 ZINC000002368964 569288801 /nfs/dbraw/zinc/28/88/01/569288801.db2.gz FQTPLSRHNVVSCQ-RUZDIDTESA-N 0 0 430.577 4.942 50 0 IJAARN COCCn1cc(CC(=O)N[C@H](c2nc3ccccc3[nH]2)c2ccccc2)c2ccccc21 ZINC000253406717 569288987 /nfs/dbraw/zinc/28/89/87/569288987.db2.gz JDYFPFCNMLKHOY-SANMLTNESA-N 0 0 438.531 4.612 50 0 IJAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002376279 569289449 /nfs/dbraw/zinc/28/94/49/569289449.db2.gz GSGBLZDQXFHGBU-INIZCTEOSA-N 0 0 437.920 4.998 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002398659 569298635 /nfs/dbraw/zinc/29/86/35/569298635.db2.gz AXVWZPWXGPHYEG-OALUTQOASA-N 0 0 425.920 4.681 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1C[C@H]1CCCO1 ZINC000002402217 569299588 /nfs/dbraw/zinc/29/95/88/569299588.db2.gz JQEWUWOAXKKJFY-BEFAXECRSA-N 0 0 430.287 4.824 50 0 IJAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002414247 569301302 /nfs/dbraw/zinc/30/13/02/569301302.db2.gz FJPOCIPPVXDXBS-HNNXBMFYSA-N 0 0 446.507 4.678 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3ccccc3nc21 ZINC000002416901 569301500 /nfs/dbraw/zinc/30/15/00/569301500.db2.gz KQKOGSJMABUGMZ-UHFFFAOYSA-N 0 0 434.496 4.663 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002426016 569302458 /nfs/dbraw/zinc/30/24/58/569302458.db2.gz LQVQVPPMFGMKKV-UHFFFAOYSA-N 0 0 436.537 4.513 50 0 IJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002433604 569303450 /nfs/dbraw/zinc/30/34/50/569303450.db2.gz SKFXXQMCKDJCIA-UHFFFAOYSA-N 0 0 448.935 4.701 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000002438823 569303916 /nfs/dbraw/zinc/30/39/16/569303916.db2.gz ICYWEZGYVFSUJW-QFIPXVFZSA-N 0 0 445.471 4.853 50 0 IJAARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)cc(N3CCOCC3)c2)cc1OC ZINC000002446088 569304360 /nfs/dbraw/zinc/30/43/60/569304360.db2.gz BHQNACXZNIVSBY-UHFFFAOYSA-N 0 0 435.520 4.892 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 ZINC000002450004 569304785 /nfs/dbraw/zinc/30/47/85/569304785.db2.gz XROBTNMRRZCJOJ-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2Cc2ccco2)cc1 ZINC000002451803 569305520 /nfs/dbraw/zinc/30/55/20/569305520.db2.gz UKQFZPQNYHWAFT-UHFFFAOYSA-N 0 0 440.475 4.904 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1ccc(OCc2cscn2)cc1 ZINC000013006177 569306327 /nfs/dbraw/zinc/30/63/27/569306327.db2.gz YMSYXAMENQIUMQ-UHFFFAOYSA-N 0 0 436.274 4.579 50 0 IJAARN Cc1ccccc1C(=O)N1CCC(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1 ZINC000013013367 569307032 /nfs/dbraw/zinc/30/70/32/569307032.db2.gz RUHRXESEAAZJKE-UHFFFAOYSA-N 0 0 440.587 4.970 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000013031352 569307491 /nfs/dbraw/zinc/30/74/91/569307491.db2.gz GOWHPPLAUGRMIC-UHFFFAOYSA-N 0 0 426.855 4.865 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013057639 569308434 /nfs/dbraw/zinc/30/84/34/569308434.db2.gz AINBBIDYNJKOFL-UHFFFAOYSA-N 0 0 448.397 4.685 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nc4nc(C)cc(C)n4n3)ccc21 ZINC000013098636 569309891 /nfs/dbraw/zinc/30/98/91/569309891.db2.gz ZJIBEUFIHKFUDY-UHFFFAOYSA-N 0 0 430.537 4.600 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000013141015 569311810 /nfs/dbraw/zinc/31/18/10/569311810.db2.gz YHODXEHGLUZABS-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCC(=O)Nc3c(C)cccc3C)cc12 ZINC000013150108 569312258 /nfs/dbraw/zinc/31/22/58/569312258.db2.gz HYGNKLRPALXNES-UHFFFAOYSA-N 0 0 436.512 4.520 50 0 IJAARN O=C(c1ccccc1F)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456564 569312935 /nfs/dbraw/zinc/31/29/35/569312935.db2.gz UZQHILDBGJHKAJ-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)c1C ZINC000013361106 569314006 /nfs/dbraw/zinc/31/40/06/569314006.db2.gz KKQJFMLVOJALNT-UHFFFAOYSA-N 0 0 445.544 4.850 50 0 IJAARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C(C(=O)OCC)C(C)=N2 ZINC000013363385 569314156 /nfs/dbraw/zinc/31/41/56/569314156.db2.gz QRODONDRBGOCRA-IBGZPJMESA-N 0 0 430.574 4.811 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000013366288 569314369 /nfs/dbraw/zinc/31/43/69/569314369.db2.gz RTKOUHXAJDHXJM-DEOSSOPVSA-N 0 0 444.556 4.786 50 0 IJAARN CCN(C(=O)c1ccc(F)cc1I)[C@H](C)Cc1ccc(OC)cc1 ZINC000078720297 569318619 /nfs/dbraw/zinc/31/86/19/569318619.db2.gz XSKNFWYTEQOJPS-CYBMUJFWSA-N 0 0 441.284 4.532 50 0 IJAARN Cc1c(CSC(C)C)cccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000078878353 569319888 /nfs/dbraw/zinc/31/98/88/569319888.db2.gz DHDLGRBIZDUJTD-UHFFFAOYSA-N 0 0 446.638 4.649 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccc(Br)cc1 ZINC000079045394 569323051 /nfs/dbraw/zinc/32/30/51/569323051.db2.gz SRUAABSURDRTGD-WMZOPIPTSA-N 0 0 436.371 4.588 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccc(Br)cc1 ZINC000079045379 569323133 /nfs/dbraw/zinc/32/31/33/569323133.db2.gz SRUAABSURDRTGD-FUHWJXTLSA-N 0 0 436.371 4.588 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cccc(OC)c2)cc1 ZINC000079190678 569327988 /nfs/dbraw/zinc/32/79/88/569327988.db2.gz SEMOJFXFPCQXJH-SFHVURJKSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796592 569329564 /nfs/dbraw/zinc/32/95/64/569329564.db2.gz ZJPYNDSUUAYEPY-LLVKDONJSA-N 0 0 443.912 4.509 50 0 IJAARN CCCCN1CCn2c3ccc(NC(=O)c4cccc(Br)c4)cc3nc2C1 ZINC000019855393 569330454 /nfs/dbraw/zinc/33/04/54/569330454.db2.gz AKBFDDLGXLRQDP-UHFFFAOYSA-N 0 0 427.346 4.667 50 0 IJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccccc1Cl ZINC000019855428 569330671 /nfs/dbraw/zinc/33/06/71/569330671.db2.gz GMOWYWRDVKNVAC-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCCC(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000002463666 569331802 /nfs/dbraw/zinc/33/18/02/569331802.db2.gz QMSPTSFDDIOBCU-NRFANRHFSA-N 0 0 430.570 4.713 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NCc1cccs1 ZINC000020180886 569355259 /nfs/dbraw/zinc/35/52/59/569355259.db2.gz WFPOQLWNYBYZCH-JAIQZWGSSA-N 0 0 442.899 4.624 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NCc1ccccn1 ZINC000020181322 569355286 /nfs/dbraw/zinc/35/52/86/569355286.db2.gz YALWYVOFXKENHE-FYJGNVAPSA-N 0 0 435.936 4.531 50 0 IJAARN C[C@H](C(=O)NCc1ccccc1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237426 569357498 /nfs/dbraw/zinc/35/74/98/569357498.db2.gz JOHMLDXGBGITOV-SBUREZEXSA-N 0 0 434.536 4.786 50 0 IJAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1 ZINC000020321387 569360285 /nfs/dbraw/zinc/36/02/85/569360285.db2.gz NUJUIHAVERHRTL-UHFFFAOYSA-N 0 0 439.924 4.603 50 0 IJAARN CNC(=S)N(CCNc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1 ZINC000020366458 569362136 /nfs/dbraw/zinc/36/21/36/569362136.db2.gz PUOQSRODCNVCEJ-UHFFFAOYSA-N 0 0 437.318 4.826 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@@H](C)C3)c2cc1OC ZINC000020381274 569362650 /nfs/dbraw/zinc/36/26/50/569362650.db2.gz OXXSIOGALLVOFM-QGZVFWFLSA-N 0 0 440.565 4.630 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000020397483 569363413 /nfs/dbraw/zinc/36/34/13/569363413.db2.gz CJMMBUSNZYNGGW-OAQYLSRUSA-N 0 0 446.576 4.580 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417794 569365048 /nfs/dbraw/zinc/36/50/48/569365048.db2.gz DKYPTJIJWNMUJY-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000095434542 569366374 /nfs/dbraw/zinc/36/63/74/569366374.db2.gz YIJZRQQWWPXCNZ-ZIAGYGMSSA-N 0 0 435.977 4.839 50 0 IJAARN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095463368 569370321 /nfs/dbraw/zinc/37/03/21/569370321.db2.gz AVOQADXXNHMXAQ-IQGLISFBSA-N 0 0 448.538 4.724 50 0 IJAARN COc1cc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C(F)(F)F)cc(OC)c1OC ZINC000095466234 569370901 /nfs/dbraw/zinc/37/09/01/569370901.db2.gz WSKZOAROTGMYRS-JOCHJYFZSA-N 0 0 437.458 4.554 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000095945129 569375733 /nfs/dbraw/zinc/37/57/33/569375733.db2.gz WNJFCJFQFWXJSJ-QFIPXVFZSA-N 0 0 446.503 4.713 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)c1ccccc1 ZINC000095945195 569375771 /nfs/dbraw/zinc/37/57/71/569375771.db2.gz DVOHZZCVAGLQMX-NRFANRHFSA-N 0 0 434.517 4.682 50 0 IJAARN COc1ccc(F)cc1C(=O)Nc1cc(NC(=O)c2cc(F)ccc2OC)c(F)cc1F ZINC000095965886 569377201 /nfs/dbraw/zinc/37/72/01/569377201.db2.gz ADFYUNMYFTZKBP-UHFFFAOYSA-N 0 0 448.372 4.765 50 0 IJAARN CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c2cccc(Cl)c2O1 ZINC000096009846 569379664 /nfs/dbraw/zinc/37/96/64/569379664.db2.gz OZJWMJDZOKFNFM-INIZCTEOSA-N 0 0 433.957 4.874 50 0 IJAARN CCOc1ccccc1-c1nn(C(C)(C)C)cc1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000096011112 569379769 /nfs/dbraw/zinc/37/97/69/569379769.db2.gz HJFZMLBIJIVIQA-UHFFFAOYSA-N 0 0 444.539 4.752 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)NCCc1nc2ccccc2n1C(F)F ZINC000096035015 569380971 /nfs/dbraw/zinc/38/09/71/569380971.db2.gz TZGLPAHDYUQCOV-SEYXRHQNSA-N 0 0 435.478 4.606 50 0 IJAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)cc1 ZINC000096099617 569381662 /nfs/dbraw/zinc/38/16/62/569381662.db2.gz ZRBBZFIOTVSKNS-UHFFFAOYSA-N 0 0 441.574 4.502 50 0 IJAARN COc1cccc([C@H]2CC(=O)Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c32)c1 ZINC000096115189 569383185 /nfs/dbraw/zinc/38/31/85/569383185.db2.gz ZSVKPCUOIFFQMF-GOSISDBHSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3ccccc3-c3ccsc3)n(C)n2)c1 ZINC000096122905 569385224 /nfs/dbraw/zinc/38/52/24/569385224.db2.gz LBLGJTXAOROITJ-UHFFFAOYSA-N 0 0 433.533 4.763 50 0 IJAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)NC[C@@]3(C)CCCO3)n2Cc2ccccc2)c1 ZINC000096275490 569388300 /nfs/dbraw/zinc/38/83/00/569388300.db2.gz WTTNCJODAPTKSB-AREMUKBSSA-N 0 0 433.552 4.583 50 0 IJAARN CC[C@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000096277452 569388775 /nfs/dbraw/zinc/38/87/75/569388775.db2.gz AXSLVOXNTWVTRV-KRWDZBQOSA-N 0 0 427.932 4.947 50 0 IJAARN CC(C)CC(=O)N(CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000096277875 569388842 /nfs/dbraw/zinc/38/88/42/569388842.db2.gz XTTHQCLMWOBCMR-UHFFFAOYSA-N 0 0 432.318 4.710 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000096281137 569389857 /nfs/dbraw/zinc/38/98/57/569389857.db2.gz QOMPTAOXTSZQEF-LOSJGSFVSA-N 0 0 434.580 4.500 50 0 IJAARN CCCCN1c2ccc(NC(=O)c3ccc(OC)cc3)cc2S(=O)(=O)N=C1CC(C)C ZINC000096288432 569390477 /nfs/dbraw/zinc/39/04/77/569390477.db2.gz GBJHLFMNDFHESI-UHFFFAOYSA-N 0 0 443.569 4.701 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccccc2CN(CC2CC2)C(=O)CC(C)(C)C)cc1 ZINC000096288767 569390551 /nfs/dbraw/zinc/39/05/51/569390551.db2.gz AVRKCXVEKUBGME-UHFFFAOYSA-N 0 0 445.581 4.638 50 0 IJAARN CCc1nc(NCCNC(=O)Nc2cccc(OC)c2)c2cc(Cl)cc(Cl)c2n1 ZINC000096292841 569391352 /nfs/dbraw/zinc/39/13/52/569391352.db2.gz HCVNTQOOJIQXPU-UHFFFAOYSA-N 0 0 434.327 4.741 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096292964 569391425 /nfs/dbraw/zinc/39/14/25/569391425.db2.gz RNFXQRSVYBBQJP-CWTRNNRKSA-N 0 0 446.454 4.941 50 0 IJAARN COc1cc(-c2noc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc(OC)c1OC ZINC000096293992 569391758 /nfs/dbraw/zinc/39/17/58/569391758.db2.gz VTOGJAZKRDICPM-SFHVURJKSA-N 0 0 445.903 4.543 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096317198 569393178 /nfs/dbraw/zinc/39/31/78/569393178.db2.gz XOWWKLXEOXSOMF-SFHVURJKSA-N 0 0 426.580 4.587 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000096317382 569393329 /nfs/dbraw/zinc/39/33/29/569393329.db2.gz XNMVFMCNMHFUKR-OAHLLOKOSA-N 0 0 444.982 4.740 50 0 IJAARN CCC(=O)N1CCN(c2nc([C@H](C)CC)nc(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317380 569393391 /nfs/dbraw/zinc/39/33/91/569393391.db2.gz PFIQNNNJVWSHIL-OAHLLOKOSA-N 0 0 432.971 4.740 50 0 IJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1c(F)cccc1Cl ZINC000096317542 569393441 /nfs/dbraw/zinc/39/34/41/569393441.db2.gz VCKFJXQYAMGPNM-UHFFFAOYSA-N 0 0 444.982 4.604 50 0 IJAARN CC(C)(C)c1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 ZINC000096321990 569394269 /nfs/dbraw/zinc/39/42/69/569394269.db2.gz UNYSBQLEPFXXHY-UHFFFAOYSA-N 0 0 425.554 4.876 50 0 IJAARN Cc1ccc(-c2noc(Cn3ccn4nc(-c5cccc6ccccc65)cc4c3=O)n2)cc1 ZINC000096322294 569394454 /nfs/dbraw/zinc/39/44/54/569394454.db2.gz WHRCPPDWOGEHNF-UHFFFAOYSA-N 0 0 433.471 4.723 50 0 IJAARN COc1ccc(CNC(=O)C[C@H]2COc3cc(F)ccc3N2Cc2ccc(C)cc2)cc1 ZINC000096323085 569394969 /nfs/dbraw/zinc/39/49/69/569394969.db2.gz USOVBYHXXGIJSN-QFIPXVFZSA-N 0 0 434.511 4.617 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000096323120 569395140 /nfs/dbraw/zinc/39/51/40/569395140.db2.gz KHRWODLDMKIKQB-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cccc(C)c2C)C4)cc1 ZINC000096323746 569395492 /nfs/dbraw/zinc/39/54/92/569395492.db2.gz DGMVKFRFLVCBKX-UHFFFAOYSA-N 0 0 433.537 4.673 50 0 IJAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000096324459 569395849 /nfs/dbraw/zinc/39/58/49/569395849.db2.gz XAPHMUSWDDUTLT-UHFFFAOYSA-N 0 0 434.565 4.538 50 0 IJAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000096335931 569396641 /nfs/dbraw/zinc/39/66/41/569396641.db2.gz ROYPCJGGUNVCCY-REWPJTCUSA-N 0 0 447.874 4.987 50 0 IJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000096386174 569398404 /nfs/dbraw/zinc/39/84/04/569398404.db2.gz UAHYMLHWSNITIP-UHFFFAOYSA-N 0 0 425.488 4.566 50 0 IJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)NCc1cccc(Cl)c1 ZINC000096387121 569398894 /nfs/dbraw/zinc/39/88/94/569398894.db2.gz HIIROZQJKBIQMP-IBGZPJMESA-N 0 0 426.303 4.796 50 0 IJAARN COc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1 ZINC000097161227 569403125 /nfs/dbraw/zinc/40/31/25/569403125.db2.gz ZLRKDPHZSXUMLL-IBGZPJMESA-N 0 0 443.507 4.594 50 0 IJAARN COc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1OC ZINC000225545366 569404087 /nfs/dbraw/zinc/40/40/87/569404087.db2.gz JACAVYORTHFLDH-UHFFFAOYSA-N 0 0 432.358 4.710 50 0 IJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000002474967 569404434 /nfs/dbraw/zinc/40/44/34/569404434.db2.gz WTNDURLTDNCLRG-UHFFFAOYSA-N 0 0 443.484 4.575 50 0 IJAARN Cc1nn(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c(C)c1Br ZINC000027970316 569404856 /nfs/dbraw/zinc/40/48/56/569404856.db2.gz OZACBAYGKHKSCC-UHFFFAOYSA-N 0 0 432.749 4.894 50 0 IJAARN COc1ccc(CCC(=O)NCc2cccnc2-c2cccs2)cc1Br ZINC000225760198 569408163 /nfs/dbraw/zinc/40/81/63/569408163.db2.gz XPGQFDZMBJFGLU-UHFFFAOYSA-N 0 0 431.355 4.830 50 0 IJAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 ZINC000002619344 569410714 /nfs/dbraw/zinc/41/07/14/569410714.db2.gz RQTYJAFEAWTCMG-YLJYHZDGSA-N 0 0 433.581 4.773 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N(C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002634403 569412805 /nfs/dbraw/zinc/41/28/05/569412805.db2.gz GMXUUKFYIVYFEN-UHFFFAOYSA-N 0 0 426.472 4.730 50 0 IJAARN O=C(Nc1cccc(I)c1)c1ncc(Cl)c(Cl)c1Cl ZINC000002636030 569413032 /nfs/dbraw/zinc/41/30/32/569413032.db2.gz NMBRTLJETWZOBZ-UHFFFAOYSA-N 0 0 427.456 4.899 50 0 IJAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)Nc1ccc(F)c(F)c1F ZINC000002636924 569413171 /nfs/dbraw/zinc/41/31/71/569413171.db2.gz SUHDQDWAQWVEMV-UHFFFAOYSA-N 0 0 433.386 4.932 50 0 IJAARN O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCc2ccccc21 ZINC000002649424 569414580 /nfs/dbraw/zinc/41/45/80/569414580.db2.gz JQENSQIMSZRBQD-UHFFFAOYSA-N 0 0 447.343 4.997 50 0 IJAARN Cc1cccc(-n2c(S[C@@H](C)C(=O)N(C)C3CCCCC3)nc3ccccc3c2=O)c1 ZINC000002652883 569415065 /nfs/dbraw/zinc/41/50/65/569415065.db2.gz QISNBUFXGTZXFK-SFHVURJKSA-N 0 0 435.593 4.966 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215746796 569415220 /nfs/dbraw/zinc/41/52/20/569415220.db2.gz BIXQYYXESGHWBT-IAGOWNOFSA-N 0 0 449.642 4.507 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(C2CC2)s1 ZINC000002654495 569415243 /nfs/dbraw/zinc/41/52/43/569415243.db2.gz ILLKFPBZKGGISM-QGZVFWFLSA-N 0 0 426.929 4.569 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)NCC3CCCCC3)c2oc1-c1ccccc1 ZINC000002660479 569415985 /nfs/dbraw/zinc/41/59/85/569415985.db2.gz BTKDTCYYFSORMR-UHFFFAOYSA-N 0 0 433.504 4.622 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)ccc12 ZINC000002662556 569416270 /nfs/dbraw/zinc/41/62/70/569416270.db2.gz TTWDXLVEJXCWRK-QHCPKHFHSA-N 0 0 435.520 4.759 50 0 IJAARN CCOc1cc(C(=O)NCCSc2c[nH]c3ccccc23)cc(OCC)c1OCC ZINC000002721021 569418214 /nfs/dbraw/zinc/41/82/14/569418214.db2.gz MZGVCSOUDOGLNR-UHFFFAOYSA-N 0 0 428.554 4.886 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1CCn1cc(Cl)cn1 ZINC000002741085 569419994 /nfs/dbraw/zinc/41/99/94/569419994.db2.gz DXJMNVQVIJBDKN-UHFFFAOYSA-N 0 0 431.348 4.892 50 0 IJAARN O=C(COc1c(F)c(F)cc(F)c1F)Nc1nc2ccc(Br)cc2s1 ZINC000002747111 569420113 /nfs/dbraw/zinc/42/01/13/569420113.db2.gz LQLCUOUNTFSLOR-UHFFFAOYSA-N 0 0 435.196 4.633 50 0 IJAARN Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cc2)n1 ZINC000002755157 569420414 /nfs/dbraw/zinc/42/04/14/569420414.db2.gz SMARRSSLQSTBPO-UHFFFAOYSA-N 0 0 437.931 4.909 50 0 IJAARN CCN(CC)C(=O)c1sc2ncn3nc(-c4ccccc4Br)nc3c2c1C ZINC000002792535 569421857 /nfs/dbraw/zinc/42/18/57/569421857.db2.gz SRZPWUWKKGIIQM-UHFFFAOYSA-N 0 0 444.358 4.559 50 0 IJAARN O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1ccn(Cc2c(Cl)cccc2Cl)n1 ZINC000002794582 569422060 /nfs/dbraw/zinc/42/20/60/569422060.db2.gz BLYORGXPHBCVJN-UHFFFAOYSA-N 0 0 440.281 4.888 50 0 IJAARN COC(=O)c1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5)cc4)nc3c2c1C ZINC000002804791 569422649 /nfs/dbraw/zinc/42/26/49/569422649.db2.gz AGFRXWBFRUFDDU-UHFFFAOYSA-N 0 0 448.479 4.819 50 0 IJAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccccc1)c2C(=O)Nc1cccc(C)c1 ZINC000002887902 569424217 /nfs/dbraw/zinc/42/42/17/569424217.db2.gz RVNCTZDVNRQZOD-UHFFFAOYSA-N 0 0 446.532 4.522 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911204 569424830 /nfs/dbraw/zinc/42/48/30/569424830.db2.gz ZYCFXSARMRCPRM-UHFFFAOYSA-N 0 0 445.878 4.999 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3OC(F)F)Nc3ncnn32)c1OC ZINC000002919494 569425275 /nfs/dbraw/zinc/42/52/75/569425275.db2.gz SHZHDSDHTWCNTP-GJZGRUSLSA-N 0 0 436.846 4.696 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cccc(C(=O)OCC)c2)c1C ZINC000002929079 569426023 /nfs/dbraw/zinc/42/60/23/569426023.db2.gz WEANTOIUUPWMPK-UHFFFAOYSA-N 0 0 448.519 4.846 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000057015959 569429122 /nfs/dbraw/zinc/42/91/22/569429122.db2.gz BEOGQCISYQTHMW-FDDCHVKYSA-N 0 0 438.572 4.961 50 0 IJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000057315198 569430846 /nfs/dbraw/zinc/43/08/46/569430846.db2.gz HEQDARYCNIEJNC-UHFFFAOYSA-N 0 0 439.515 4.527 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1nc2ccccc2s1 ZINC000057364834 569432220 /nfs/dbraw/zinc/43/22/20/569432220.db2.gz JKOIGIWYGSJLON-QGZVFWFLSA-N 0 0 436.562 4.761 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(C)cc1 ZINC000002955334 569432345 /nfs/dbraw/zinc/43/23/45/569432345.db2.gz APPVYQJVVSPCEH-SGEDCAFJSA-N 0 0 443.503 4.820 50 0 IJAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1 ZINC000002964506 569432916 /nfs/dbraw/zinc/43/29/16/569432916.db2.gz LUKOLRUOQLJZSS-FQEVSTJZSA-N 0 0 434.565 4.626 50 0 IJAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000057426241 569434514 /nfs/dbraw/zinc/43/45/14/569434514.db2.gz OOTBCXRJDSRRLK-UHFFFAOYSA-N 0 0 425.938 4.637 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)cc1C ZINC000057426348 569434555 /nfs/dbraw/zinc/43/45/55/569434555.db2.gz RFTYNDZHQCOWIU-UHFFFAOYSA-N 0 0 449.601 4.878 50 0 IJAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1Cl ZINC000057426437 569434627 /nfs/dbraw/zinc/43/46/27/569434627.db2.gz NQRGZWJJQMYOFX-UHFFFAOYSA-N 0 0 425.938 4.781 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)cc1C ZINC000057428577 569434939 /nfs/dbraw/zinc/43/49/39/569434939.db2.gz OAJIPOULPLAXLX-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN CCOC(=O)c1ccc(-n2c3[nH]c(=S)n(-c4ccccc4)c(=O)c3sc2=S)cc1 ZINC000003018714 569435563 /nfs/dbraw/zinc/43/55/63/569435563.db2.gz GKOQBXXXKBXJSC-UHFFFAOYSA-N 0 0 441.559 4.807 50 0 IJAARN O=C(NCc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccc(Br)cc1 ZINC000003022878 569436062 /nfs/dbraw/zinc/43/60/62/569436062.db2.gz YFJWQUVTRUDWNV-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000003022760 569436086 /nfs/dbraw/zinc/43/60/86/569436086.db2.gz NJXWSAHTQSOIAQ-OKILXGFUSA-N 0 0 438.952 4.706 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000003022632 569436088 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IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003413360 569450142 /nfs/dbraw/zinc/45/01/42/569450142.db2.gz DCLXLOBEEMIZJK-GFCCVEGCSA-N 0 0 443.550 4.631 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1C ZINC000003421268 569450415 /nfs/dbraw/zinc/45/04/15/569450415.db2.gz VMCIGBSKCMFEQE-KRWDZBQOSA-N 0 0 428.583 4.533 50 0 IJAARN CC(=O)c1sc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)nc1C ZINC000003425806 569450559 /nfs/dbraw/zinc/45/05/59/569450559.db2.gz KWDLSRKKONXKAM-UHFFFAOYSA-N 0 0 448.500 4.900 50 0 IJAARN CC(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 ZINC000003427856 569450641 /nfs/dbraw/zinc/45/06/41/569450641.db2.gz PNIICARYMVIYRS-UHFFFAOYSA-N 0 0 439.368 4.909 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)c1 ZINC000003427762 569450647 /nfs/dbraw/zinc/45/06/47/569450647.db2.gz CEIXVJAJLNFXMK-UHFFFAOYSA-N 0 0 431.583 4.676 50 0 IJAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003430546 569450852 /nfs/dbraw/zinc/45/08/52/569450852.db2.gz BTEHTFYCOJCJAX-UHFFFAOYSA-N 0 0 429.501 4.626 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000003438702 569451085 /nfs/dbraw/zinc/45/10/85/569451085.db2.gz FHWOHJJOCNJIKI-UHFFFAOYSA-N 0 0 427.549 4.776 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000003444698 569451363 /nfs/dbraw/zinc/45/13/63/569451363.db2.gz YHJKGTAZMFDNQC-UHFFFAOYSA-N 0 0 434.517 4.931 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000003503715 569452879 /nfs/dbraw/zinc/45/28/79/569452879.db2.gz OPLCLQJMYPMMPK-UHFFFAOYSA-N 0 0 447.491 4.573 50 0 IJAARN CCn1c2ccccc2c2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)nc21 ZINC000003555323 569453925 /nfs/dbraw/zinc/45/39/25/569453925.db2.gz WKFZHINTZCNJFJ-UHFFFAOYSA-N 0 0 428.517 4.887 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(Cl)c4)cc3[nH]c2=S)cc1 ZINC000003630347 569455203 /nfs/dbraw/zinc/45/52/03/569455203.db2.gz YLQXPMGBRFFDKO-UHFFFAOYSA-N 0 0 437.908 4.589 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O ZINC000003632001 569455346 /nfs/dbraw/zinc/45/53/46/569455346.db2.gz CRYCGQAAJIRZHQ-UHFFFAOYSA-N 0 0 431.492 4.555 50 0 IJAARN CCOc1ccccc1N(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003661022 569455892 /nfs/dbraw/zinc/45/58/92/569455892.db2.gz GCRHREFWHNCPOH-JWQCQUIFSA-N 0 0 444.531 4.667 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031391433 569456261 /nfs/dbraw/zinc/45/62/61/569456261.db2.gz GQCIRGGBFZZMGD-IBGZPJMESA-N 0 0 430.533 4.645 50 0 IJAARN O=C(NC[C@@H](O)c1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032095061 569459844 /nfs/dbraw/zinc/45/98/44/569459844.db2.gz PJBLCLSEQAXZLO-JWQCQUIFSA-N 0 0 446.591 4.721 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C12CCCC2 ZINC000032105703 569460259 /nfs/dbraw/zinc/46/02/59/569460259.db2.gz RSXUWSWPXIWUGS-FQEVSTJZSA-N 0 0 446.469 4.843 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000004186432 569460818 /nfs/dbraw/zinc/46/08/18/569460818.db2.gz LELLBVOWKUPFIQ-UHFFFAOYSA-N 0 0 446.498 4.591 50 0 IJAARN COc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(F)cc2Cl)c3=O)cc1 ZINC000038487072 569462842 /nfs/dbraw/zinc/46/28/42/569462842.db2.gz WNUWZHSDESRBPG-UHFFFAOYSA-N 0 0 443.887 4.565 50 0 IJAARN CCc1cc([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546454 569463623 /nfs/dbraw/zinc/46/36/23/569463623.db2.gz BZBQBRDZPCHYFU-OAQYLSRUSA-N 0 0 427.545 4.632 50 0 IJAARN CN1CCN([C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546524 569463699 /nfs/dbraw/zinc/46/36/99/569463699.db2.gz DSRUDKFEAQSZAE-OAQYLSRUSA-N 0 0 441.622 4.871 50 0 IJAARN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)NC1CCCC1 ZINC000008442002 569464527 /nfs/dbraw/zinc/46/45/27/569464527.db2.gz BNCXCUQZSFJSEF-UHFFFAOYSA-N 0 0 430.357 4.539 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1C ZINC000067209327 569464836 /nfs/dbraw/zinc/46/48/36/569464836.db2.gz NLWPAMPVBWXKGW-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)c1C ZINC000067217092 569464911 /nfs/dbraw/zinc/46/49/11/569464911.db2.gz NSWJYZKQYKEDMJ-UHFFFAOYSA-N 0 0 427.595 4.605 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)c1C ZINC000067217155 569464931 /nfs/dbraw/zinc/46/49/31/569464931.db2.gz XFAIFGVFAVOBRC-HNNXBMFYSA-N 0 0 427.595 4.557 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2cccc(F)c2)c1C ZINC000067217255 569464945 /nfs/dbraw/zinc/46/49/45/569464945.db2.gz WXOQIVRHQXRMCR-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C)cc3Cl)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238070 569465576 /nfs/dbraw/zinc/46/55/76/569465576.db2.gz JQJBIHQXVSWWTC-UHFFFAOYSA-N 0 0 432.977 4.772 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238034 569465596 /nfs/dbraw/zinc/46/55/96/569465596.db2.gz RETDHRLMPVGONM-UHFFFAOYSA-N 0 0 426.586 4.933 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCCC)cc1 ZINC000067238557 569465647 /nfs/dbraw/zinc/46/56/47/569465647.db2.gz RNMHBVHBDSMRJE-UHFFFAOYSA-N 0 0 426.586 4.907 50 0 IJAARN CC[C@@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(Br)c2)ncn1 ZINC000067255861 569466033 /nfs/dbraw/zinc/46/60/33/569466033.db2.gz UVEBUMQIYOGZPE-MRXNPFEDSA-N 0 0 435.391 4.739 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3ccc(Cl)cc3)ncc2S1(=O)=O ZINC000067260121 569466292 /nfs/dbraw/zinc/46/62/92/569466292.db2.gz FCSXJLPKIREPBM-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3ccc(F)c(F)c3)ncc2S1(=O)=O ZINC000067260232 569466302 /nfs/dbraw/zinc/46/63/02/569466302.db2.gz NTEFGSKYNROYFM-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN O=c1c2sccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccccc1F ZINC000067259899 569466314 /nfs/dbraw/zinc/46/63/14/569466314.db2.gz JCHHMRUTVIDOBI-UHFFFAOYSA-N 0 0 426.494 4.666 50 0 IJAARN CC(=O)c1ccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)cc1 ZINC000067285143 569466833 /nfs/dbraw/zinc/46/68/33/569466833.db2.gz CCVXNWJODHPBGM-UHFFFAOYSA-N 0 0 425.536 4.542 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1N1CC=C(c2ccccc2)CC1)N1CCOCC1 ZINC000067288040 569467430 /nfs/dbraw/zinc/46/74/30/569467430.db2.gz JRAZDJQDAKXJBN-UHFFFAOYSA-N 0 0 433.939 4.654 50 0 IJAARN Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(C(C)C)c4)c3)n2)c1 ZINC000067289629 569467505 /nfs/dbraw/zinc/46/75/05/569467505.db2.gz GAWFMRVVSHMHGO-UHFFFAOYSA-N 0 0 428.492 4.636 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 ZINC000067289924 569467532 /nfs/dbraw/zinc/46/75/32/569467532.db2.gz REWCDFNQPXXLTI-UHFFFAOYSA-N 0 0 430.533 4.947 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)=O)cc4)nccn3n2)cc1 ZINC000067290481 569467561 /nfs/dbraw/zinc/46/75/61/569467561.db2.gz NGJAUXOIPYVXMZ-UHFFFAOYSA-N 0 0 446.532 4.728 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1 ZINC000067290446 569467565 /nfs/dbraw/zinc/46/75/65/569467565.db2.gz VJZZCGUPOVJAPL-UHFFFAOYSA-N 0 0 440.475 4.804 50 0 IJAARN CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292850 569467751 /nfs/dbraw/zinc/46/77/51/569467751.db2.gz XFALARXOPKSZTL-QEQSUZCXSA-N 0 0 428.941 4.949 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067294058 569467834 /nfs/dbraw/zinc/46/78/34/569467834.db2.gz QMKDZWOSYPKVAM-BTAOAOQOSA-N 0 0 426.900 4.544 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)cc1Cl ZINC000067299119 569468136 /nfs/dbraw/zinc/46/81/36/569468136.db2.gz QXERULOBZRHIBX-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)c(Cl)c3)oc21 ZINC000067299059 569468144 /nfs/dbraw/zinc/46/81/44/569468144.db2.gz SNFJFTSGAQXIEX-ROMGYVFFSA-N 0 0 426.831 4.989 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)c(Cl)c1 ZINC000067335300 569468905 /nfs/dbraw/zinc/46/89/05/569468905.db2.gz NACTWDVHKKKPCJ-UHFFFAOYSA-N 0 0 445.953 4.792 50 0 IJAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3Cl)/c(=N/c3ccc(F)cc3)oc12 ZINC000067342098 569469024 /nfs/dbraw/zinc/46/90/24/569469024.db2.gz UOESFHPTHBUBRJ-VYIQYICTSA-N 0 0 437.858 4.906 50 0 IJAARN CC1CCN(c2ccc(-c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)nn2)CC1 ZINC000038788396 569469118 /nfs/dbraw/zinc/46/91/18/569469118.db2.gz MFWYCPRNLJANDV-UHFFFAOYSA-N 0 0 440.503 4.739 50 0 IJAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C)c(F)c2)cc1 ZINC000008575228 569469184 /nfs/dbraw/zinc/46/91/84/569469184.db2.gz YDPHDRGYKDSCOO-GNVQSUKOSA-N 0 0 431.467 4.869 50 0 IJAARN COc1cc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)ccc1OC(C)C ZINC000008583200 569469195 /nfs/dbraw/zinc/46/91/95/569469195.db2.gz SVDXPLSNSOWGJN-RUZDIDTESA-N 0 0 442.600 4.860 50 0 IJAARN Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2n1 ZINC000008621606 569469453 /nfs/dbraw/zinc/46/94/53/569469453.db2.gz QPSCCVCVJUAELG-SNVBAGLBSA-N 0 0 429.855 4.533 50 0 IJAARN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)C1)C(=O)c1ccccc1 ZINC000008715704 569471047 /nfs/dbraw/zinc/47/10/47/569471047.db2.gz POLRJXGVHCQEFB-TZIWHRDSSA-N 0 0 448.544 4.676 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)c2cccnc2)cc1 ZINC000008718004 569471238 /nfs/dbraw/zinc/47/12/38/569471238.db2.gz NTQPRLZNNPDVAY-FQEVSTJZSA-N 0 0 449.359 4.642 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(C)n1C1CC1 ZINC000008721131 569471726 /nfs/dbraw/zinc/47/17/26/569471726.db2.gz VNWFMODYNSZCPX-UHFFFAOYSA-N 0 0 435.597 4.591 50 0 IJAARN C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008745186 569473006 /nfs/dbraw/zinc/47/30/06/569473006.db2.gz POISSCPXCWSSTP-MRXNPFEDSA-N 0 0 449.580 4.533 50 0 IJAARN CCCCCn1nc(C(=O)Nc2ccc(Br)cc2F)c2ccccc2c1=O ZINC000008750799 569473400 /nfs/dbraw/zinc/47/34/00/569473400.db2.gz UUZVBAQHAOEBJU-UHFFFAOYSA-N 0 0 432.293 4.741 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccc(F)cc3)n2N)c2ccccc2)c1 ZINC000008757154 569474119 /nfs/dbraw/zinc/47/41/19/569474119.db2.gz UKZFIKQFYWIFIL-OAQYLSRUSA-N 0 0 447.539 4.887 50 0 IJAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000008764272 569474547 /nfs/dbraw/zinc/47/45/47/569474547.db2.gz IBOJREPISZJSCT-HNNXBMFYSA-N 0 0 428.488 4.927 50 0 biogenic IJAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCc4ccncc4)c(=O)oc12)CCCC3 ZINC000008792033 569476360 /nfs/dbraw/zinc/47/63/60/569476360.db2.gz IPLSXLMDPIDNLA-UHFFFAOYSA-N 0 0 430.504 4.679 50 0 biogenic IJAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000008825256 569477335 /nfs/dbraw/zinc/47/73/35/569477335.db2.gz POGMZCBFQBDNOW-UHFFFAOYSA-N 0 0 444.443 4.532 50 0 IJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N(Cc1cccnc1)c1ccc2c(c1)OCO2 ZINC000008825424 569477392 /nfs/dbraw/zinc/47/73/92/569477392.db2.gz OJUVKUPUFPXJGJ-UHFFFAOYSA-N 0 0 438.487 4.720 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000008826122 569477502 /nfs/dbraw/zinc/47/75/02/569477502.db2.gz YOAWLQJVQAAAHX-HXUWFJFHSA-N 0 0 429.561 4.541 50 0 IJAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1I ZINC000008833847 569477900 /nfs/dbraw/zinc/47/79/00/569477900.db2.gz JXDRHVNGZCUQEI-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc2N1Cc1ccccc1 ZINC000008840704 569478414 /nfs/dbraw/zinc/47/84/14/569478414.db2.gz ZEVVFNOCTPHNDI-UHFFFAOYSA-N 0 0 440.952 4.761 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 ZINC000008845028 569478631 /nfs/dbraw/zinc/47/86/31/569478631.db2.gz UFWVWGVMTLINAU-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000008845000 569478675 /nfs/dbraw/zinc/47/86/75/569478675.db2.gz KFXUAWPBQGAULP-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)cc1 ZINC000008845405 569478801 /nfs/dbraw/zinc/47/88/01/569478801.db2.gz PZQARKONZPSMIN-XMMPIXPASA-N 0 0 435.524 4.543 50 0 IJAARN CSc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845426 569478853 /nfs/dbraw/zinc/47/88/53/569478853.db2.gz DDGSOTINRGBSAC-QHCPKHFHSA-N 0 0 428.517 4.645 50 0 IJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846040 569479003 /nfs/dbraw/zinc/47/90/03/569479003.db2.gz HEATURPNZBIQRT-QHCPKHFHSA-N 0 0 426.472 4.722 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2cccc(OC)c2)n1 ZINC000008850997 569479332 /nfs/dbraw/zinc/47/93/32/569479332.db2.gz IHJBLORXXKYKJW-UHFFFAOYSA-N 0 0 441.578 4.626 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)c1 ZINC000008851019 569479346 /nfs/dbraw/zinc/47/93/46/569479346.db2.gz UCPFLVVNCGBTES-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008851960 569479448 /nfs/dbraw/zinc/47/94/48/569479448.db2.gz BGVYQMAYZXZVSX-UHFFFAOYSA-N 0 0 429.542 4.757 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 ZINC000008852938 569479479 /nfs/dbraw/zinc/47/94/79/569479479.db2.gz MWVGPSHJGASUBC-UHFFFAOYSA-N 0 0 433.505 4.642 50 0 IJAARN CN(Cc1cccc(F)c1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000008862118 569480079 /nfs/dbraw/zinc/48/00/79/569480079.db2.gz XQNNXHYNWFZCRA-UHFFFAOYSA-N 0 0 435.528 4.651 50 0 IJAARN CC(C)(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869672 569480480 /nfs/dbraw/zinc/48/04/80/569480480.db2.gz WSHIKFJELHFCED-BGVYSJOJSA-N 0 0 446.012 4.867 50 0 IJAARN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000008870375 569480626 /nfs/dbraw/zinc/48/06/26/569480626.db2.gz FFMRQERCZLERKO-UHFFFAOYSA-N 0 0 434.473 4.772 50 0 IJAARN Cc1nc(-c2cccnc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1 ZINC000008875961 569481082 /nfs/dbraw/zinc/48/10/82/569481082.db2.gz NFYUDSRMWGFGTD-UHFFFAOYSA-N 0 0 437.525 4.840 50 0 IJAARN O=C(NC1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1)c1ccccc1 ZINC000039537442 569481699 /nfs/dbraw/zinc/48/16/99/569481699.db2.gz ZOTWQFUADMNHCF-UHFFFAOYSA-N 0 0 447.149 4.730 50 0 IJAARN CSc1nc(C)c(CCC(=O)Nc2nnc(SCc3cccs3)s2)c(C)n1 ZINC000039981752 569482236 /nfs/dbraw/zinc/48/22/36/569482236.db2.gz GNYFWLJCEIZESI-UHFFFAOYSA-N 0 0 437.641 4.592 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3nnc(C)c4ccccc43)cc2)cc1 ZINC000040050778 569484205 /nfs/dbraw/zinc/48/42/05/569484205.db2.gz VQAJFBBVWFIWEC-UHFFFAOYSA-N 0 0 449.532 4.954 50 0 IJAARN CN(C)c1ccc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(F)c2)cc1 ZINC000008913047 569485194 /nfs/dbraw/zinc/48/51/94/569485194.db2.gz JAFPWPVMCGLPGB-UHFFFAOYSA-N 0 0 435.528 4.567 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)Nc1nnc(C2CC2)o1 ZINC000040073225 569486055 /nfs/dbraw/zinc/48/60/55/569486055.db2.gz YMXKSZNQEQHCSC-UHFFFAOYSA-N 0 0 439.928 4.729 50 0 IJAARN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000008921282 569486834 /nfs/dbraw/zinc/48/68/34/569486834.db2.gz ONTRDFSWJNZDFS-UHFFFAOYSA-N 0 0 429.549 4.727 50 0 IJAARN COc1cccc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000040099024 569487533 /nfs/dbraw/zinc/48/75/33/569487533.db2.gz JKJAZJQOTYNLIV-HXUWFJFHSA-N 0 0 449.473 4.920 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000008932848 569487768 /nfs/dbraw/zinc/48/77/68/569487768.db2.gz FIDRJWWYZYUARE-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000008938243 569488214 /nfs/dbraw/zinc/48/82/14/569488214.db2.gz WLVJTBUJGZYPFJ-HZPDHXFCSA-N 0 0 427.545 4.550 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)N3CCc4ccccc4C3)nc(=O)c12 ZINC000008939056 569488311 /nfs/dbraw/zinc/48/83/11/569488311.db2.gz AIALNIVXMUTOMR-CQSZACIVSA-N 0 0 441.622 4.559 50 0 IJAARN CCc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3[C@H](C)COC)n2)cc1 ZINC000008942023 569488624 /nfs/dbraw/zinc/48/86/24/569488624.db2.gz XWVDZQHHBXICHC-OAHLLOKOSA-N 0 0 436.537 4.509 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3F)sc2c1 ZINC000040128196 569489776 /nfs/dbraw/zinc/48/97/76/569489776.db2.gz IZNLSOLKKIJDGL-UHFFFAOYSA-N 0 0 426.494 4.758 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCCCc3ccccc32)nn1-c1cccc(C(F)(F)F)c1 ZINC000040133973 569490514 /nfs/dbraw/zinc/49/05/14/569490514.db2.gz VNXNAKBZFWYTEG-UHFFFAOYSA-N 0 0 427.426 4.543 50 0 IJAARN CC[C@H](C(=O)NC[C@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965292 569491375 /nfs/dbraw/zinc/49/13/75/569491375.db2.gz UMLURUBHCWJIOK-MHECFPHRSA-N 0 0 442.563 4.675 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(C)c(C)c1 ZINC000008965344 569491467 /nfs/dbraw/zinc/49/14/67/569491467.db2.gz CHAIKEKYMWGHDJ-UHFFFAOYSA-N 0 0 428.536 4.840 50 0 IJAARN Cc1cc(C)c(-c2csc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)n2)cc1C ZINC000040140631 569491606 /nfs/dbraw/zinc/49/16/06/569491606.db2.gz RMTUCFYOJUKRPY-UHFFFAOYSA-N 0 0 428.583 4.968 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1 ZINC000040142834 569491902 /nfs/dbraw/zinc/49/19/02/569491902.db2.gz MIGDILZCNYANGJ-AWEZNQCLSA-N 0 0 427.298 4.810 50 0 IJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@@H]2c1cccnc1 ZINC000008974111 569492894 /nfs/dbraw/zinc/49/28/94/569492894.db2.gz GPWHLIBHCBBXHB-LJQANCHMSA-N 0 0 427.851 4.831 50 0 IJAARN Cc1ccccc1C[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000040155937 569494028 /nfs/dbraw/zinc/49/40/28/569494028.db2.gz VJMHNEDMCONXOI-MBSDFSHPSA-N 0 0 445.588 4.626 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2C(C)C)cc1 ZINC000008989697 569494936 /nfs/dbraw/zinc/49/49/36/569494936.db2.gz CNPUEBSEZWFXHH-SJORKVTESA-N 0 0 436.581 4.993 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2C(C)C)cc1 ZINC000008989695 569494937 /nfs/dbraw/zinc/49/49/37/569494937.db2.gz CNPUEBSEZWFXHH-IAGOWNOFSA-N 0 0 436.581 4.993 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2C(C)C)cc1 ZINC000008989696 569494959 /nfs/dbraw/zinc/49/49/59/569494959.db2.gz CNPUEBSEZWFXHH-DLBZAZTESA-N 0 0 436.581 4.993 50 0 IJAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1c(F)cccc1Cl)CCCS3 ZINC000008994128 569495478 /nfs/dbraw/zinc/49/54/78/569495478.db2.gz JHOVMYMHFBAGKL-UHFFFAOYSA-N 0 0 429.904 4.696 50 0 IJAARN COc1ccc2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1 ZINC000009009951 569496441 /nfs/dbraw/zinc/49/64/41/569496441.db2.gz ORKOGTUZWLOECD-UHFFFAOYSA-N 0 0 444.681 4.815 50 0 IJAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000009019289 569496921 /nfs/dbraw/zinc/49/69/21/569496921.db2.gz BPIFSFQQBUQUOF-UHFFFAOYSA-N 0 0 428.488 4.782 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)s2)cc1 ZINC000040267894 569497545 /nfs/dbraw/zinc/49/75/45/569497545.db2.gz DNVCJOCDDOEOIE-UHFFFAOYSA-N 0 0 440.525 4.581 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288220 569498439 /nfs/dbraw/zinc/49/84/39/569498439.db2.gz PISFEASUNGHCOR-DNQXCXABSA-N 0 0 425.488 4.726 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(Cl)c1 ZINC000009051173 569498746 /nfs/dbraw/zinc/49/87/46/569498746.db2.gz UHUPANBGLHTCNQ-UHFFFAOYSA-N 0 0 439.928 4.522 50 0 IJAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000009052851 569498778 /nfs/dbraw/zinc/49/87/78/569498778.db2.gz MMLYTTQQNSYEAY-UHFFFAOYSA-N 0 0 427.938 4.901 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000009053251 569498785 /nfs/dbraw/zinc/49/87/85/569498785.db2.gz HCHVXNDRQBVDGE-FQEVSTJZSA-N 0 0 437.546 4.805 50 0 IJAARN Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000009054198 569498847 /nfs/dbraw/zinc/49/88/47/569498847.db2.gz GQRPBPGJPWDKAL-AWEZNQCLSA-N 0 0 428.414 4.823 50 0 IJAARN COc1cccc(NC(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)c1 ZINC000009054116 569498890 /nfs/dbraw/zinc/49/88/90/569498890.db2.gz NNJVBUOUPUAPEF-UHFFFAOYSA-N 0 0 431.444 4.920 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000009056247 569498969 /nfs/dbraw/zinc/49/89/69/569498969.db2.gz IPYBIOSSFYKNGA-IBGZPJMESA-N 0 0 443.956 4.761 50 0 IJAARN CC1CCC(N(C)C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)CC1 ZINC000009056162 569498988 /nfs/dbraw/zinc/49/89/88/569498988.db2.gz FUEYPNAAHFUHJX-UHFFFAOYSA-N 0 0 449.020 4.975 50 0 IJAARN O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000009057640 569499156 /nfs/dbraw/zinc/49/91/56/569499156.db2.gz BTXORGNQALUPPV-INIZCTEOSA-N 0 0 447.638 4.604 50 0 IJAARN O=C(NCCc1cccs1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355488 569499812 /nfs/dbraw/zinc/49/98/12/569499812.db2.gz KKIWPQHDLMYLHC-UHFFFAOYSA-N 0 0 426.350 4.736 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C(C)C)n2)cc1 ZINC000009095265 569501336 /nfs/dbraw/zinc/50/13/36/569501336.db2.gz BJSNQQVXOYHYFN-HNNXBMFYSA-N 0 0 429.904 4.603 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000009109410 569501945 /nfs/dbraw/zinc/50/19/45/569501945.db2.gz WSDVBNRMLTTZOW-HXOBKFHXSA-N 0 0 426.476 4.910 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)n1-c1ccccc1 ZINC000009111832 569502321 /nfs/dbraw/zinc/50/23/21/569502321.db2.gz DJOWWURPHVKBEU-RTBURBONSA-N 0 0 436.581 4.967 50 0 IJAARN COc1cccc(-n2cnnc2SCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000009111846 569502386 /nfs/dbraw/zinc/50/23/86/569502386.db2.gz REDNPSVDDZGZCP-UHFFFAOYSA-N 0 0 432.505 4.799 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 ZINC000009115568 569502735 /nfs/dbraw/zinc/50/27/35/569502735.db2.gz CRIGFWVOZRRWTC-GDLZYMKVSA-N 0 0 431.941 4.958 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009115625 569502743 /nfs/dbraw/zinc/50/27/43/569502743.db2.gz DUICOHKPOAIKPY-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 ZINC000009115566 569502761 /nfs/dbraw/zinc/50/27/61/569502761.db2.gz ZUZJJELOIFPMDW-MUUNZHRXSA-N 0 0 433.982 4.935 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000009115654 569502833 /nfs/dbraw/zinc/50/28/33/569502833.db2.gz GRPQTSADTYCORX-GDLZYMKVSA-N 0 0 431.897 4.670 50 0 IJAARN Cc1ccc(CNC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000009118454 569503374 /nfs/dbraw/zinc/50/33/74/569503374.db2.gz PSJDGVLIAHHDMR-UHFFFAOYSA-N 0 0 449.620 4.761 50 0 IJAARN Cc1cc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)ccc1Br ZINC000009125761 569504711 /nfs/dbraw/zinc/50/47/11/569504711.db2.gz XNDTYANABMOPIZ-UHFFFAOYSA-N 0 0 448.320 4.768 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1C ZINC000009125821 569504764 /nfs/dbraw/zinc/50/47/64/569504764.db2.gz OKMFHHULGXCMMS-UHFFFAOYSA-N 0 0 429.549 4.601 50 0 IJAARN CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009125947 569504769 /nfs/dbraw/zinc/50/47/69/569504769.db2.gz QEVBWBLTJGOEQA-KUHUBIRLSA-N 0 0 441.622 4.524 50 0 IJAARN Cc1ccccc1-n1cnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000009126236 569504875 /nfs/dbraw/zinc/50/48/75/569504875.db2.gz NBOKOLCBGWGEPV-LJQANCHMSA-N 0 0 440.956 4.543 50 0 IJAARN O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000069421016 569506205 /nfs/dbraw/zinc/50/62/05/569506205.db2.gz ICVSJNBLGICJSK-UHFFFAOYSA-N 0 0 440.304 4.535 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1 ZINC000040485771 569506881 /nfs/dbraw/zinc/50/68/81/569506881.db2.gz CXCRRFAYVKVPLE-QHCPKHFHSA-N 0 0 433.435 4.616 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000009132366 569506967 /nfs/dbraw/zinc/50/69/67/569506967.db2.gz XYRUGZBNAVGMBD-LJQANCHMSA-N 0 0 444.560 4.574 50 0 IJAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccncc3)c2)cc1OC ZINC000009135254 569507118 /nfs/dbraw/zinc/50/71/18/569507118.db2.gz VGVHQDTWPZXCNM-UHFFFAOYSA-N 0 0 431.444 4.708 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009149424 569507429 /nfs/dbraw/zinc/50/74/29/569507429.db2.gz ABFZGUBLQQHCRF-UHFFFAOYSA-N 0 0 439.924 4.686 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000009151496 569507517 /nfs/dbraw/zinc/50/75/17/569507517.db2.gz ARNIYGRPDBAKLJ-MRXNPFEDSA-N 0 0 435.911 4.625 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)Nc1ccccc1 ZINC000009152333 569507738 /nfs/dbraw/zinc/50/77/38/569507738.db2.gz CRYYAPBTUCDXEW-UHFFFAOYSA-N 0 0 438.936 4.907 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)ccc21 ZINC000009153464 569508097 /nfs/dbraw/zinc/50/80/97/569508097.db2.gz WYJMGWQVWPQVPK-UHFFFAOYSA-N 0 0 435.487 4.644 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1Cc1ccc(Cl)cc1)n2C ZINC000009153633 569508140 /nfs/dbraw/zinc/50/81/40/569508140.db2.gz BPKCINGRRUXQMN-UHFFFAOYSA-N 0 0 429.907 4.654 50 0 IJAARN Cc1ccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000009153604 569508162 /nfs/dbraw/zinc/50/81/62/569508162.db2.gz WHYRMTBOGAIKRS-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccc2ccccc2c1 ZINC000009154993 569508258 /nfs/dbraw/zinc/50/82/58/569508258.db2.gz SOXYTPBUCRWTDH-UHFFFAOYSA-N 0 0 448.522 4.799 50 0 IJAARN O=C(CSc1nc2ccccc2[nH]1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009157040 569508393 /nfs/dbraw/zinc/50/83/93/569508393.db2.gz KFPDJWYWHMFWNK-UHFFFAOYSA-N 0 0 437.546 4.721 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009161245 569508753 /nfs/dbraw/zinc/50/87/53/569508753.db2.gz UMHXFVMYWRYACN-HSZRJFAPSA-N 0 0 426.472 4.872 50 0 IJAARN Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169645 569509219 /nfs/dbraw/zinc/50/92/19/569509219.db2.gz ZEKFZFYIBLTSIY-UHFFFAOYSA-N 0 0 444.597 4.735 50 0 IJAARN CC(C)CCN1c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009169670 569509255 /nfs/dbraw/zinc/50/92/55/569509255.db2.gz XPYWDJNJXRFCOZ-UHFFFAOYSA-N 0 0 448.560 4.565 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1CCc1cccs1 ZINC000009172073 569509507 /nfs/dbraw/zinc/50/95/07/569509507.db2.gz NKXOKIBMLGTPLB-UHFFFAOYSA-N 0 0 426.567 4.773 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009172587 569509523 /nfs/dbraw/zinc/50/95/23/569509523.db2.gz CTZZHLFRHGXEAS-UHFFFAOYSA-N 0 0 430.570 4.512 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000009189849 569510553 /nfs/dbraw/zinc/51/05/53/569510553.db2.gz ZICXSAQLNRJZON-XMMPIXPASA-N 0 0 444.487 4.621 50 0 IJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000009198909 569511077 /nfs/dbraw/zinc/51/10/77/569511077.db2.gz OJCFIMQCEVUXRK-UHFFFAOYSA-N 0 0 427.555 4.514 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000009200156 569511147 /nfs/dbraw/zinc/51/11/47/569511147.db2.gz GTGSPXDNOCCKCM-QHCPKHFHSA-N 0 0 435.520 4.779 50 0 IJAARN NC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000009202178 569511217 /nfs/dbraw/zinc/51/12/17/569511217.db2.gz OWIQKEKGTKRZIL-UHFFFAOYSA-N 0 0 440.575 4.696 50 0 IJAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)Nc1ccc(N2CCCC2)cc1 ZINC000009208698 569511492 /nfs/dbraw/zinc/51/14/92/569511492.db2.gz AIRLQPRGFQUNTG-UHFFFAOYSA-N 0 0 443.573 4.620 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000009209444 569511543 /nfs/dbraw/zinc/51/15/43/569511543.db2.gz KIXOQLCUOMHEKT-RTBURBONSA-N 0 0 449.511 4.886 50 0 IJAARN O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000009210882 569511656 /nfs/dbraw/zinc/51/16/56/569511656.db2.gz ZRHOPLNIKXWFLD-UHFFFAOYSA-N 0 0 432.130 4.758 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000009211691 569511842 /nfs/dbraw/zinc/51/18/42/569511842.db2.gz OZRZORWXTMCZEV-UHFFFAOYSA-N 0 0 427.483 4.564 50 0 IJAARN COc1ccccc1[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1nc(C)c(C)s1 ZINC000009215666 569511992 /nfs/dbraw/zinc/51/19/92/569511992.db2.gz VZMYEQVQGNNWME-HXUWFJFHSA-N 0 0 432.501 4.933 50 0 IJAARN Cc1cc2sc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)nc2c(C)c1 ZINC000009218192 569512350 /nfs/dbraw/zinc/51/23/50/569512350.db2.gz PGYOFLABXOJEKG-UHFFFAOYSA-N 0 0 436.566 4.632 50 0 IJAARN CN([C@H](c1nccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000009219801 569512462 /nfs/dbraw/zinc/51/24/62/569512462.db2.gz UCWQZOKYDDUWML-KRWDZBQOSA-N 0 0 444.771 4.790 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2n[nH]c(-c3cccs3)n2)cc1 ZINC000009222858 569512832 /nfs/dbraw/zinc/51/28/32/569512832.db2.gz KPFVQZZSXDVNLF-UHFFFAOYSA-N 0 0 442.591 4.929 50 0 IJAARN COc1cc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc(OC)c1 ZINC000009224706 569513196 /nfs/dbraw/zinc/51/31/96/569513196.db2.gz XQCDBOBQFNRAEX-UHFFFAOYSA-N 0 0 439.475 4.578 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000009227704 569513494 /nfs/dbraw/zinc/51/34/94/569513494.db2.gz CCZDZHZFICVIBR-SFHVURJKSA-N 0 0 428.941 4.533 50 0 IJAARN COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCCC1=CCCCC1)C2 ZINC000009228928 569513680 /nfs/dbraw/zinc/51/36/80/569513680.db2.gz PBNVKUSEZRZRLW-UHFFFAOYSA-N 0 0 435.524 4.516 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 ZINC000009236918 569514213 /nfs/dbraw/zinc/51/42/13/569514213.db2.gz RZBSGOXCJDMENS-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN COc1ccc(Cn2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 ZINC000009242919 569514752 /nfs/dbraw/zinc/51/47/52/569514752.db2.gz IQYUDKBOKOYSHB-UHFFFAOYSA-N 0 0 434.503 4.777 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1 ZINC000009245408 569515317 /nfs/dbraw/zinc/51/53/17/569515317.db2.gz OZMNUYKYTZZTKY-OAQYLSRUSA-N 0 0 447.535 4.527 50 0 IJAARN COc1ccccc1-n1c(=O)c2c(nc1SCCO)-c1ccccc1CC21CCCCC1 ZINC000009250956 569515777 /nfs/dbraw/zinc/51/57/77/569515777.db2.gz YPXRHJSLBOLHNR-UHFFFAOYSA-N 0 0 448.588 4.751 50 0 biogenic IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2n1 ZINC000009253621 569516258 /nfs/dbraw/zinc/51/62/58/569516258.db2.gz OCIKEHRRNFULLP-UHFFFAOYSA-N 0 0 444.318 4.760 50 0 IJAARN COc1ccc([C@@H](NC(=O)CSc2nnc(-c3ccccc3F)o2)c2ccccc2)cc1 ZINC000009255310 569516546 /nfs/dbraw/zinc/51/65/46/569516546.db2.gz GURVXCICPLZNNK-QFIPXVFZSA-N 0 0 449.507 4.882 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1 ZINC000009255654 569516643 /nfs/dbraw/zinc/51/66/43/569516643.db2.gz WSBDLWVQVFMALL-MRXNPFEDSA-N 0 0 432.549 4.920 50 0 IJAARN CCN(Cc1ccc(Cl)s1)C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000009256459 569516788 /nfs/dbraw/zinc/51/67/88/569516788.db2.gz PWOAPHRFIOHMSB-UHFFFAOYSA-N 0 0 442.968 4.759 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)n2C)c1C ZINC000009261555 569516930 /nfs/dbraw/zinc/51/69/30/569516930.db2.gz SLGZPFYSUALPDW-UHFFFAOYSA-N 0 0 436.581 4.621 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)n2C)c(C)c1 ZINC000009261560 569516996 /nfs/dbraw/zinc/51/69/96/569516996.db2.gz BWTGQYZGFBROAZ-UHFFFAOYSA-N 0 0 436.581 4.621 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000009281741 569518614 /nfs/dbraw/zinc/51/86/14/569518614.db2.gz MDQPMDOILXAJCD-INIZCTEOSA-N 0 0 433.316 4.761 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C)c2C)no1 ZINC000009284839 569519108 /nfs/dbraw/zinc/51/91/08/569519108.db2.gz JIJMJMCHVHUWLL-UHFFFAOYSA-N 0 0 441.944 4.814 50 0 IJAARN Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000009288867 569519430 /nfs/dbraw/zinc/51/94/30/569519430.db2.gz FESLWFJOMNKUKO-UHFFFAOYSA-N 0 0 447.564 4.621 50 0 IJAARN O=c1[nH]c(-c2ccc(Br)cc2)nc2c1Cc1cc(Br)ccc1O2 ZINC000009290391 569519731 /nfs/dbraw/zinc/51/97/31/569519731.db2.gz IJFZUIPRTSCHKE-UHFFFAOYSA-N 0 0 434.087 4.658 50 0 IJAARN CSc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000009292330 569520033 /nfs/dbraw/zinc/52/00/33/569520033.db2.gz VNKJAEUYKBMNEQ-PKTZIBPZSA-N 0 0 425.517 4.608 50 0 IJAARN Fc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000009293499 569520241 /nfs/dbraw/zinc/52/02/41/569520241.db2.gz OOAADACSUPZIMW-FCHUYYIVSA-N 0 0 431.858 4.678 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1C)S2 ZINC000009295005 569520296 /nfs/dbraw/zinc/52/02/96/569520296.db2.gz NGCYFWLHSCUHFM-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3ccc(Cl)cc3)nn2c(C)c1Cc1ccccc1Cl ZINC000009303827 569521057 /nfs/dbraw/zinc/52/10/57/569521057.db2.gz CHRVGYHHKODAFD-UHFFFAOYSA-N 0 0 440.334 4.820 50 0 IJAARN O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000069842489 569521263 /nfs/dbraw/zinc/52/12/63/569521263.db2.gz WLBJATSDSYOELI-HSZRJFAPSA-N 0 0 436.999 4.889 50 0 IJAARN Cc1c(C)n(-c2cccc(C)n2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000009305948 569521315 /nfs/dbraw/zinc/52/13/15/569521315.db2.gz AIWZGUPXTMKPLS-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009339132 569523736 /nfs/dbraw/zinc/52/37/36/569523736.db2.gz JXGHJLXYGJPWOM-GBXCKJPGSA-N 0 0 433.508 4.616 50 0 IJAARN CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccccc1NCc1ccco1 ZINC000009353543 569524995 /nfs/dbraw/zinc/52/49/95/569524995.db2.gz QKMZOYLEHKPDJY-UHFFFAOYSA-N 0 0 432.432 4.636 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)c1C ZINC000009364791 569526066 /nfs/dbraw/zinc/52/60/66/569526066.db2.gz KOQZEEAZZPJRMC-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 ZINC000009365352 569526113 /nfs/dbraw/zinc/52/61/13/569526113.db2.gz PKLSLAGMNQMUOK-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN Clc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCCC2)c1 ZINC000009365882 569526159 /nfs/dbraw/zinc/52/61/59/569526159.db2.gz VNKIQXGDEJRARM-UHFFFAOYSA-N 0 0 438.944 4.863 50 0 IJAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1=O ZINC000009372934 569526981 /nfs/dbraw/zinc/52/69/81/569526981.db2.gz UMFSQYOVWFGLHN-SANMLTNESA-N 0 0 443.503 4.665 50 0 IJAARN C[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)C1CC1 ZINC000009377279 569527437 /nfs/dbraw/zinc/52/74/37/569527437.db2.gz LMPHYCAEINSMFY-LLVKDONJSA-N 0 0 446.878 4.688 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2NC(=O)C(CC)CC ZINC000009381547 569528156 /nfs/dbraw/zinc/52/81/56/569528156.db2.gz NRIYPOUCAHGKGZ-UHFFFAOYSA-N 0 0 447.944 4.652 50 0 IJAARN Cn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1c[nH]c2ccccc21 ZINC000009382269 569528229 /nfs/dbraw/zinc/52/82/29/569528229.db2.gz USQVKDATEXXXBU-UHFFFAOYSA-N 0 0 445.592 4.537 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000009384820 569528398 /nfs/dbraw/zinc/52/83/98/569528398.db2.gz SQTUIKNNYHKFRR-NSHDSACASA-N 0 0 432.431 4.799 50 0 IJAARN CC(=O)Nc1ccc2c(CSc3nc(C4CC4)n(-c4ccccc4)n3)cc(=O)oc2c1 ZINC000009390524 569528727 /nfs/dbraw/zinc/52/87/27/569528727.db2.gz OFRBJGYJPCTHQR-UHFFFAOYSA-N 0 0 432.505 4.502 50 0 IJAARN CCc1cccc(CC)c1-n1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC ZINC000009390874 569528765 /nfs/dbraw/zinc/52/87/65/569528765.db2.gz DIARYBHIIMLOJN-UHFFFAOYSA-N 0 0 438.641 4.947 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)[C@H]1COc2ccccc2O1 ZINC000009391423 569528957 /nfs/dbraw/zinc/52/89/57/569528957.db2.gz RBEUTRSSNUOWPF-HXUWFJFHSA-N 0 0 442.496 4.820 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1F ZINC000009403978 569529551 /nfs/dbraw/zinc/52/95/51/569529551.db2.gz SJORALIZLREWGG-UHFFFAOYSA-N 0 0 429.498 4.615 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000009404351 569529657 /nfs/dbraw/zinc/52/96/57/569529657.db2.gz KCRQWTHIXQZDKL-NRFANRHFSA-N 0 0 426.925 4.889 50 0 IJAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009407198 569530185 /nfs/dbraw/zinc/53/01/85/569530185.db2.gz UPYLIZRZKVFRSF-DHIUTWEWSA-N 0 0 431.561 4.683 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)cc1Cl ZINC000009407832 569530365 /nfs/dbraw/zinc/53/03/65/569530365.db2.gz QILGOIHUKAULRX-UHFFFAOYSA-N 0 0 437.931 4.744 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(C)c12 ZINC000009408005 569530451 /nfs/dbraw/zinc/53/04/51/569530451.db2.gz DFIWEYVZSYOJSU-UHFFFAOYSA-N 0 0 442.519 4.954 50 0 IJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009409114 569530880 /nfs/dbraw/zinc/53/08/80/569530880.db2.gz QWVATGKYPQPEQI-VWLOTQADSA-N 0 0 449.551 4.931 50 0 IJAARN CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1 ZINC000009409221 569530930 /nfs/dbraw/zinc/53/09/30/569530930.db2.gz QPHRRUZMPXBBOK-RUZDIDTESA-N 0 0 449.551 4.669 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000009409096 569530952 /nfs/dbraw/zinc/53/09/52/569530952.db2.gz OQEJKVPYEWTCCO-QFIPXVFZSA-N 0 0 425.916 4.796 50 0 IJAARN O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000009409738 569531141 /nfs/dbraw/zinc/53/11/41/569531141.db2.gz CQDCWJCYLWGZSU-OAQYLSRUSA-N 0 0 441.462 4.629 50 0 IJAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009409840 569531178 /nfs/dbraw/zinc/53/11/78/569531178.db2.gz KWVSTTNBOLYHBJ-UHFFFAOYSA-N 0 0 427.913 4.754 50 0 IJAARN O=C(CSCC(=O)Nc1nc2ccccc2s1)Nc1nc(-c2cccs2)cs1 ZINC000009412512 569531612 /nfs/dbraw/zinc/53/16/12/569531612.db2.gz HUCPOIKQVUPYTN-UHFFFAOYSA-N 0 0 446.604 4.792 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2OC)c1 ZINC000009413631 569531849 /nfs/dbraw/zinc/53/18/49/569531849.db2.gz GPHCBSLUMPQLJW-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009415038 569532101 /nfs/dbraw/zinc/53/21/01/569532101.db2.gz KFGLOJDYQFENML-UHFFFAOYSA-N 0 0 447.417 4.680 50 0 IJAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(Cl)cc4)nn32)cc1 ZINC000009415250 569532153 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ZINC000009581620 569549185 /nfs/dbraw/zinc/54/91/85/569549185.db2.gz BVGQANBRXZDMCZ-UHFFFAOYSA-N 0 0 432.904 4.865 50 0 IJAARN CC(=O)N1N=C(COc2c(C)cc(Br)cc2C)O[C@]1(C)c1ccc(F)cc1 ZINC000009585288 569549487 /nfs/dbraw/zinc/54/94/87/569549487.db2.gz HSHXCKTYWKYSFG-HXUWFJFHSA-N 0 0 435.293 4.649 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCSc1ccc(Cl)cc1 ZINC000009588712 569549900 /nfs/dbraw/zinc/54/99/00/569549900.db2.gz GXFRVHIKYFIPQD-UHFFFAOYSA-N 0 0 443.956 4.807 50 0 IJAARN COc1ccc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1F ZINC000009592039 569550303 /nfs/dbraw/zinc/55/03/03/569550303.db2.gz CAPLRKZKBUBOGW-GOSISDBHSA-N 0 0 443.569 4.767 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000009597076 569550865 /nfs/dbraw/zinc/55/08/65/569550865.db2.gz IYYZFFZRJIWCDV-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2)cc1OC ZINC000009599153 569551181 /nfs/dbraw/zinc/55/11/81/569551181.db2.gz AZXKDSFKOZCGSF-UHFFFAOYSA-N 0 0 431.945 4.666 50 0 IJAARN CN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000009601222 569551574 /nfs/dbraw/zinc/55/15/74/569551574.db2.gz VGFFDOZKQOMHDM-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccc2c(c1)OCO2 ZINC000009601416 569551607 /nfs/dbraw/zinc/55/16/07/569551607.db2.gz LASCAAUXSJFLGS-XMMPIXPASA-N 0 0 442.581 4.737 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2)s1)N1CCS[C@H]1c1ccccc1F ZINC000009602827 569551709 /nfs/dbraw/zinc/55/17/09/569551709.db2.gz MESDQROSSKKVIQ-KRWDZBQOSA-N 0 0 432.571 4.787 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000009602391 569551714 /nfs/dbraw/zinc/55/17/14/569551714.db2.gz NBFKNGVUEVWVOF-INIZCTEOSA-N 0 0 437.565 4.984 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cccc(Cl)c1 ZINC000009608476 569552125 /nfs/dbraw/zinc/55/21/25/569552125.db2.gz RUFPIRCIWFUZFK-SFHVURJKSA-N 0 0 441.944 4.590 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3cc(C)ccc3C)cc2s1 ZINC000009610861 569552706 /nfs/dbraw/zinc/55/27/06/569552706.db2.gz KEGPXTVOQJLHJM-HXUWFJFHSA-N 0 0 445.610 4.553 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(F)c3)c2=O)CCCC4)cc1 ZINC000009615361 569553211 /nfs/dbraw/zinc/55/32/11/569553211.db2.gz CXVZEKGXAGBGSX-UHFFFAOYSA-N 0 0 434.536 4.843 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000009616078 569553242 /nfs/dbraw/zinc/55/32/42/569553242.db2.gz LPAPDSUGVZWHHQ-PBHICJAKSA-N 0 0 440.594 4.965 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1cccc(Cl)c1 ZINC000009627924 569553610 /nfs/dbraw/zinc/55/36/10/569553610.db2.gz HUYRIXMGNGTHRH-UHFFFAOYSA-N 0 0 434.348 4.604 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1cccnc1 ZINC000009632982 569554109 /nfs/dbraw/zinc/55/41/09/569554109.db2.gz ZCDLFNPSKHFWTH-XKGZKEIXSA-N 0 0 435.597 4.671 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1)C1=CCCC1 ZINC000009633390 569554230 /nfs/dbraw/zinc/55/42/30/569554230.db2.gz QMRXBLUFFZCIGP-UHFFFAOYSA-N 0 0 434.565 4.951 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000009633643 569554294 /nfs/dbraw/zinc/55/42/94/569554294.db2.gz NSVWWWFFKLWOOA-UHFFFAOYSA-N 0 0 447.322 4.667 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)nnn1-c1ccc(C)c(Cl)c1 ZINC000009638712 569555016 /nfs/dbraw/zinc/55/50/16/569555016.db2.gz WMTTYPXJDYDXLS-UHFFFAOYSA-N 0 0 438.944 4.925 50 0 IJAARN CCCn1c(SCC(=O)Nc2nc3c(cc(C)cc3C)s2)nnc1-c1ccncc1 ZINC000009640333 569555403 /nfs/dbraw/zinc/55/54/03/569555403.db2.gz PJGPVLILACPATN-UHFFFAOYSA-N 0 0 438.582 4.707 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccc(F)cc1 ZINC000009641422 569555617 /nfs/dbraw/zinc/55/56/17/569555617.db2.gz HDTXIRKYUCBGPS-UHFFFAOYSA-N 0 0 448.519 4.639 50 0 IJAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009642239 569555810 /nfs/dbraw/zinc/55/58/10/569555810.db2.gz UPCAAGPGMQPXRJ-QFIPXVFZSA-N 0 0 429.907 4.920 50 0 IJAARN Cc1ccc(Cl)c(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1Cl ZINC000009642525 569555857 /nfs/dbraw/zinc/55/58/57/569555857.db2.gz NKLGBBKDJMTUNM-SNVBAGLBSA-N 0 0 436.364 4.837 50 0 IJAARN CCn1c2ccccc2c(C(=O)CSc2nnc(C(F)(F)F)n2N)c1-c1ccccc1 ZINC000009643150 569555903 /nfs/dbraw/zinc/55/59/03/569555903.db2.gz KOMUNAMGPLWDSW-UHFFFAOYSA-N 0 0 445.470 4.627 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)c1 ZINC000009646880 569556388 /nfs/dbraw/zinc/55/63/88/569556388.db2.gz SQTIQLYHQCMAMY-UHFFFAOYSA-N 0 0 440.550 4.743 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)cc2NC1=O ZINC000009647136 569556401 /nfs/dbraw/zinc/55/64/01/569556401.db2.gz GGXAWBTYUOMHOH-AWEZNQCLSA-N 0 0 430.489 4.573 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1OC ZINC000009660221 569556695 /nfs/dbraw/zinc/55/66/95/569556695.db2.gz NGYFIMLTHSNUEP-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN Cc1cc(NC(=O)CCC2CCCCC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000009661176 569557006 /nfs/dbraw/zinc/55/70/06/569557006.db2.gz IPUIKPKKSLVCHB-UHFFFAOYSA-N 0 0 447.518 4.748 50 0 IJAARN Cc1cc(NC(=O)CCC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000009661263 569557019 /nfs/dbraw/zinc/55/70/19/569557019.db2.gz UAKDCETVGPUBKQ-UHFFFAOYSA-N 0 0 443.555 4.835 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)COc3cccc4c3OC(C)(C)C4)n2)c1 ZINC000009662538 569557152 /nfs/dbraw/zinc/55/71/52/569557152.db2.gz LSJCHDUFFXEQSG-UHFFFAOYSA-N 0 0 440.521 4.558 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)NC1CCCCC1 ZINC000009664060 569557375 /nfs/dbraw/zinc/55/73/75/569557375.db2.gz QDJZKAFXLVVLSF-UHFFFAOYSA-N 0 0 445.947 4.719 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000009665322 569557555 /nfs/dbraw/zinc/55/75/55/569557555.db2.gz JMWUETKRJBZHAS-SFHVURJKSA-N 0 0 443.572 4.918 50 0 IJAARN C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009666389 569557724 /nfs/dbraw/zinc/55/77/24/569557724.db2.gz QMRRMLSJTHGUCS-NSHDSACASA-N 0 0 435.525 4.526 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3C(C)C)c2C)no1 ZINC000009666550 569557765 /nfs/dbraw/zinc/55/77/65/569557765.db2.gz QXHXTSUYCGTHLA-UHFFFAOYSA-N 0 0 436.537 4.656 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCc1ccccc1 ZINC000009667323 569557774 /nfs/dbraw/zinc/55/77/74/569557774.db2.gz KNRVACOFAWUZLC-AFMDSPMNSA-N 0 0 437.543 4.769 50 0 IJAARN O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000009670423 569558314 /nfs/dbraw/zinc/55/83/14/569558314.db2.gz YNJBSSXNYJQTSZ-UHFFFAOYSA-N 0 0 443.956 4.705 50 0 IJAARN COc1cc(C(=O)NCCCn2nc(C)cc2C)ccc1OCc1ccc(Cl)cc1 ZINC000009670609 569558351 /nfs/dbraw/zinc/55/83/51/569558351.db2.gz FLMLGHCBNDDPPB-UHFFFAOYSA-N 0 0 427.932 4.561 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)NCc1cccs1 ZINC000009670733 569558376 /nfs/dbraw/zinc/55/83/76/569558376.db2.gz KUDRCFCJPSXNCE-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3nncn3-c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000009670855 569558411 /nfs/dbraw/zinc/55/84/11/569558411.db2.gz FPFQACDGZFVNFM-OAQYLSRUSA-N 0 0 443.532 4.639 50 0 IJAARN Cc1cccnc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009671432 569558561 /nfs/dbraw/zinc/55/85/61/569558561.db2.gz BDQZTAJDSSXVDQ-UHFFFAOYSA-N 0 0 429.398 4.679 50 0 IJAARN CC[S@](=O)c1ccccc1C(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000009671358 569558578 /nfs/dbraw/zinc/55/85/78/569558578.db2.gz FKOUUPKYLMUOLW-WJOKGBTCSA-N 0 0 437.561 4.674 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc12 ZINC000009671662 569558610 /nfs/dbraw/zinc/55/86/10/569558610.db2.gz DDTBTJPYLVVOBT-LJQANCHMSA-N 0 0 438.528 4.694 50 0 IJAARN O=c1nc(CSc2nnc3n2CCCCC3)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000009672020 569558686 /nfs/dbraw/zinc/55/86/86/569558686.db2.gz UUPDLKVSJXNEGM-UHFFFAOYSA-N 0 0 443.985 4.915 50 0 IJAARN COc1ccc(OC)c(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)c1 ZINC000009680804 569560179 /nfs/dbraw/zinc/56/01/79/569560179.db2.gz JZROQRHEOCKLIA-UHFFFAOYSA-N 0 0 427.504 4.968 50 0 biogenic IJAARN CCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000009682114 569560313 /nfs/dbraw/zinc/56/03/13/569560313.db2.gz HNIRQIVMVLTAGM-UHFFFAOYSA-N 0 0 436.515 4.853 50 0 IJAARN CCOc1ccc(CNC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000009687875 569560830 /nfs/dbraw/zinc/56/08/30/569560830.db2.gz RYTRWZSVCVGGQL-UHFFFAOYSA-N 0 0 447.560 4.688 50 0 IJAARN CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(C)C ZINC000009691338 569561011 /nfs/dbraw/zinc/56/10/11/569561011.db2.gz RDFLUIUTXHSIJQ-UHFFFAOYSA-N 0 0 429.973 4.777 50 0 IJAARN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000009698544 569561208 /nfs/dbraw/zinc/56/12/08/569561208.db2.gz ZVJLBYSJSXZOCG-UHFFFAOYSA-N 0 0 429.476 4.693 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2Cc2cccs2)cs1)c1cccc(C)c1 ZINC000009712265 569562161 /nfs/dbraw/zinc/56/21/61/569562161.db2.gz ABIJBADANBMEKO-UHFFFAOYSA-N 0 0 442.595 4.525 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000009712763 569562370 /nfs/dbraw/zinc/56/23/70/569562370.db2.gz UCERKZCKXWVSNA-UHFFFAOYSA-N 0 0 433.363 4.834 50 0 IJAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1C ZINC000009713418 569562615 /nfs/dbraw/zinc/56/26/15/569562615.db2.gz WAMORELSIJMJLP-VWLOTQADSA-N 0 0 427.529 4.909 50 0 IJAARN COc1cc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc(OC)c1OC ZINC000009716981 569563204 /nfs/dbraw/zinc/56/32/04/569563204.db2.gz WXICVVJIJRWKAB-UHFFFAOYSA-N 0 0 435.505 4.564 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cccn1Cc1cc(C)ccc1C ZINC000009722833 569563510 /nfs/dbraw/zinc/56/35/10/569563510.db2.gz AKKDSMQGKYWYQP-UHFFFAOYSA-N 0 0 425.916 4.915 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1 ZINC000070931937 569563697 /nfs/dbraw/zinc/56/36/97/569563697.db2.gz CHFZZJUUSOAUKZ-UHFFFAOYSA-N 0 0 430.961 4.996 50 0 IJAARN CCn1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nnc1-c1cccs1 ZINC000009725437 569563817 /nfs/dbraw/zinc/56/38/17/569563817.db2.gz QNIZJPQHHCKBAH-HNNXBMFYSA-N 0 0 426.611 4.875 50 0 IJAARN CCOc1cc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc(OCC)c1OCC ZINC000009737918 569564831 /nfs/dbraw/zinc/56/48/31/569564831.db2.gz OYWPJXRTJQWUHJ-HNNXBMFYSA-N 0 0 438.524 4.531 50 0 IJAARN COc1ccc(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)cc1Cl ZINC000009739556 569565088 /nfs/dbraw/zinc/56/50/88/569565088.db2.gz KWAPPWFGMKIUAU-LJQANCHMSA-N 0 0 443.960 4.922 50 0 IJAARN CC(=O)NCCSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1C ZINC000009740990 569565215 /nfs/dbraw/zinc/56/52/15/569565215.db2.gz DIXZPCZAFIMSLW-UHFFFAOYSA-N 0 0 435.574 4.651 50 0 IJAARN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 ZINC000009763298 569566663 /nfs/dbraw/zinc/56/66/63/569566663.db2.gz RJLGQPIAOISCCZ-SFHVURJKSA-N 0 0 438.549 4.546 50 0 IJAARN CCOc1cc(Br)c(CSc2nnc3nc(C)cc(C)n32)cc1OCC ZINC000009778575 569567235 /nfs/dbraw/zinc/56/72/35/569567235.db2.gz MGFMSPQRPHFZHU-UHFFFAOYSA-N 0 0 437.363 4.593 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000009781053 569567562 /nfs/dbraw/zinc/56/75/62/569567562.db2.gz CDEJBXIJKGSIGP-OAHLLOKOSA-N 0 0 437.949 4.579 50 0 IJAARN Cc1ccc(C2=NN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)[C@@H](c3ccco3)C2)cc1 ZINC000009783506 569567834 /nfs/dbraw/zinc/56/78/34/569567834.db2.gz GLFVZELVXYQTQF-LJQANCHMSA-N 0 0 435.867 4.527 50 0 IJAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000009785157 569567880 /nfs/dbraw/zinc/56/78/80/569567880.db2.gz YETFFYDMJIFGNO-UHFFFAOYSA-N 0 0 426.464 4.797 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000009784960 569567886 /nfs/dbraw/zinc/56/78/86/569567886.db2.gz CHQOBDSVXIEVTR-UHFFFAOYSA-N 0 0 428.901 4.824 50 0 IJAARN COc1cccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)n2Cc2ccco2)c1 ZINC000009790753 569568220 /nfs/dbraw/zinc/56/82/20/569568220.db2.gz VAZYKXLSJNFCIF-QGZVFWFLSA-N 0 0 448.548 4.739 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc43)n2C[C@@H]2CCCO2)cc1 ZINC000009791714 569568266 /nfs/dbraw/zinc/56/82/66/569568266.db2.gz ALGNAZOFBMYLKQ-SFHVURJKSA-N 0 0 448.548 4.589 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc43)n2C[C@H]2CCCO2)cc1 ZINC000009791718 569568291 /nfs/dbraw/zinc/56/82/91/569568291.db2.gz ALGNAZOFBMYLKQ-GOSISDBHSA-N 0 0 448.548 4.589 50 0 IJAARN O=C(CSc1nnc(Nc2cccc(Cl)c2)s1)Nc1ccnn1C1CCCC1 ZINC000009814681 569569174 /nfs/dbraw/zinc/56/91/74/569569174.db2.gz HNQJXQKRTJGRQN-UHFFFAOYSA-N 0 0 434.978 4.978 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(-n3cccn3)cc1)CC2 ZINC000009823987 569569617 /nfs/dbraw/zinc/56/96/17/569569617.db2.gz UBEQRAZWXGFHKZ-SANMLTNESA-N 0 0 439.515 4.677 50 0 IJAARN O=C(Oc1coc(CSc2ncccn2)cc1=O)C1c2ccccc2Oc2ccccc21 ZINC000009829316 569570006 /nfs/dbraw/zinc/57/00/06/569570006.db2.gz MLORVFDWVMXQEP-UHFFFAOYSA-N 0 0 444.468 4.565 50 0 IJAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(-c4ccccc4)cc3)co2)n1 ZINC000009829270 569570034 /nfs/dbraw/zinc/57/00/34/569570034.db2.gz QIFRRWGBSPPJSH-UHFFFAOYSA-N 0 0 430.485 4.917 50 0 IJAARN Clc1ccc(-c2nnc(SCc3cn4ccccc4n3)n2C[C@@H]2CCCO2)cc1 ZINC000009834216 569570550 /nfs/dbraw/zinc/57/05/50/569570550.db2.gz FJZIKNAFRDEKTK-SFHVURJKSA-N 0 0 425.945 4.718 50 0 IJAARN Clc1ccc(-c2nnc(SCc3cn4ccccc4n3)n2C[C@H]2CCCO2)cc1 ZINC000009834218 569570576 /nfs/dbraw/zinc/57/05/76/569570576.db2.gz FJZIKNAFRDEKTK-GOSISDBHSA-N 0 0 425.945 4.718 50 0 IJAARN CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000009847866 569571183 /nfs/dbraw/zinc/57/11/83/569571183.db2.gz YATSUXWSJYZSCL-MRXNPFEDSA-N 0 0 441.572 4.657 50 0 IJAARN CC(C)OCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C ZINC000009850456 569571393 /nfs/dbraw/zinc/57/13/93/569571393.db2.gz BHIDEVVUVCESQE-HKUYNNGSSA-N 0 0 443.009 4.622 50 0 IJAARN O=C(NCCOc1ccc(-c2cccs2)nn1)C1c2ccccc2Oc2ccccc21 ZINC000009853435 569571507 /nfs/dbraw/zinc/57/15/07/569571507.db2.gz GMYXTESJJBYMNX-UHFFFAOYSA-N 0 0 429.501 4.638 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1 ZINC000009855792 569571557 /nfs/dbraw/zinc/57/15/57/569571557.db2.gz XLABLWZZBVRFLJ-UHFFFAOYSA-N 0 0 430.891 4.833 50 0 IJAARN COc1ccc(Cl)cc1Nc1nc2nonc2nc1Nc1cc(Cl)ccc1OC ZINC000009861047 569571941 /nfs/dbraw/zinc/57/19/41/569571941.db2.gz KSXAPFVOGATHMU-UHFFFAOYSA-N 0 0 433.255 4.824 50 0 IJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000009865432 569572192 /nfs/dbraw/zinc/57/21/92/569572192.db2.gz NPJZDXDHBZSAGP-NSHDSACASA-N 0 0 436.693 4.867 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009884783 569572784 /nfs/dbraw/zinc/57/27/84/569572784.db2.gz RKNYNAIMHUGUMJ-INIZCTEOSA-N 0 0 426.519 4.582 50 0 IJAARN O=C(Cc1ccccc1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 ZINC000009907512 569573134 /nfs/dbraw/zinc/57/31/34/569573134.db2.gz XLWIBETWMVGNBP-UHFFFAOYSA-N 0 0 433.462 4.663 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1cccc(F)c1 ZINC000009940799 569573942 /nfs/dbraw/zinc/57/39/42/569573942.db2.gz JJKMQHFDBQXBHV-UHFFFAOYSA-N 0 0 436.516 4.783 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1ccccc1F ZINC000009940797 569573963 /nfs/dbraw/zinc/57/39/63/569573963.db2.gz OFEJJLKCEUGPRR-UHFFFAOYSA-N 0 0 436.516 4.783 50 0 IJAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000009950336 569574397 /nfs/dbraw/zinc/57/43/97/569574397.db2.gz ONADHHKISMXABJ-UHFFFAOYSA-N 0 0 426.472 4.752 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@@H]1c1ccccc1 ZINC000009956811 569574734 /nfs/dbraw/zinc/57/47/34/569574734.db2.gz ZGFLPKKJCJEJJC-MRXNPFEDSA-N 0 0 439.147 4.954 50 0 IJAARN Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1cccc(Br)c1 ZINC000071326492 569574851 /nfs/dbraw/zinc/57/48/51/569574851.db2.gz JMXOHRJYFMEDFQ-UHFFFAOYSA-N 0 0 430.371 4.799 50 0 IJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009958707 569574918 /nfs/dbraw/zinc/57/49/18/569574918.db2.gz QHCLQBPRASZWQD-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN COCCn1c(=O)c2c3c(sc2nc1SCc1ncc(-c2ccccc2)o1)CCC3 ZINC000009959247 569575124 /nfs/dbraw/zinc/57/51/24/569575124.db2.gz KETNDHNVFFHTKL-UHFFFAOYSA-N 0 0 439.562 4.540 50 0 IJAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000071327927 569575444 /nfs/dbraw/zinc/57/54/44/569575444.db2.gz WVIYVKQGAPODQW-UHFFFAOYSA-N 0 0 443.469 4.882 50 0 IJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)c1 ZINC000009970154 569576172 /nfs/dbraw/zinc/57/61/72/569576172.db2.gz MAEJJMWIARIQTB-QHCPKHFHSA-N 0 0 448.544 4.913 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000009981653 569576475 /nfs/dbraw/zinc/57/64/75/569576475.db2.gz XZRUJKVBELVKGT-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN Cc1csc2nc(CSc3nnc(-c4ccoc4C)n3-c3ccccc3)cc(=O)n12 ZINC000009983492 569576630 /nfs/dbraw/zinc/57/66/30/569576630.db2.gz NKDJHQYNTAUKEG-UHFFFAOYSA-N 0 0 435.534 4.506 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010014398 569577092 /nfs/dbraw/zinc/57/70/92/569577092.db2.gz XDHHBPNLCIGJCH-VIFPVBQESA-N 0 0 430.839 4.867 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccc(C)c(NC(=O)NCc3ccc(OC)cc3)c2)cc1 ZINC000010037287 569577440 /nfs/dbraw/zinc/57/74/40/569577440.db2.gz BDOPUBIMEMRFJW-UHFFFAOYSA-N 0 0 448.523 4.656 50 0 IJAARN CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000010062657 569577604 /nfs/dbraw/zinc/57/76/04/569577604.db2.gz JPZDJOSCXDCREU-UHFFFAOYSA-N 0 0 440.425 4.820 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000010166297 569578227 /nfs/dbraw/zinc/57/82/27/569578227.db2.gz HNUAVCUHOYRLKU-UHFFFAOYSA-N 0 0 436.762 4.675 50 0 IJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000010187519 569578568 /nfs/dbraw/zinc/57/85/68/569578568.db2.gz ISDLSLKJTKQTBM-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000010188201 569578809 /nfs/dbraw/zinc/57/88/09/569578809.db2.gz DDQURUXWSGIWAP-UHFFFAOYSA-N 0 0 431.879 4.553 50 0 IJAARN CCOC(=O)Nc1ccc2c(COc3ccc4c(CC)cc(=O)oc4c3)cc(=O)oc2c1 ZINC000010198809 569578904 /nfs/dbraw/zinc/57/89/04/569578904.db2.gz LUZKFDIDIXNJPI-UHFFFAOYSA-N 0 0 435.432 4.609 50 0 IJAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000010233252 569579548 /nfs/dbraw/zinc/57/95/48/569579548.db2.gz GKLKLJVBLYSPRV-UHFFFAOYSA-N 0 0 429.428 4.696 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c1 ZINC000010246590 569579718 /nfs/dbraw/zinc/57/97/18/569579718.db2.gz ALGXPVHZFMLIKQ-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000010253135 569579919 /nfs/dbraw/zinc/57/99/19/569579919.db2.gz CRTIUEDLASQAOK-UHFFFAOYSA-N 0 0 440.590 4.664 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccc(F)c4)no3)c(C)c2c1 ZINC000071761905 569580624 /nfs/dbraw/zinc/58/06/24/569580624.db2.gz UTAKFASEYHBIEV-UHFFFAOYSA-N 0 0 429.473 4.628 50 0 IJAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337104 569581217 /nfs/dbraw/zinc/58/12/17/569581217.db2.gz CBRPUTDLGOPJBF-NHCUHLMSSA-N 0 0 449.301 4.935 50 0 IJAARN CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010381550 569581585 /nfs/dbraw/zinc/58/15/85/569581585.db2.gz VHVNJHJYGWLXBJ-UHFFFAOYSA-N 0 0 438.528 4.697 50 0 IJAARN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000010422420 569581974 /nfs/dbraw/zinc/58/19/74/569581974.db2.gz JIOVHIWIXPSXBE-UHFFFAOYSA-N 0 0 427.460 4.639 50 0 IJAARN COc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)=O)cc3)ccc2OC(F)F)cc1 ZINC000010515744 569582622 /nfs/dbraw/zinc/58/26/22/569582622.db2.gz FIGQRDRDPLSKBB-UHFFFAOYSA-N 0 0 447.459 4.967 50 0 IJAARN COc1ccccc1NC(=O)N1CCN(c2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000077101069 569585558 /nfs/dbraw/zinc/58/55/58/569585558.db2.gz OSCDFHOYUFXDKL-UHFFFAOYSA-N 0 0 436.459 4.678 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CC(c2nc(Cc3cccs3)no2)C1 ZINC000077190786 569585850 /nfs/dbraw/zinc/58/58/50/569585850.db2.gz WTYWGMIEVQRNEF-UHFFFAOYSA-N 0 0 430.533 4.620 50 0 IJAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077197811 569586199 /nfs/dbraw/zinc/58/61/99/569586199.db2.gz HGBSUIAQIWKGTN-CYBMUJFWSA-N 0 0 429.398 4.732 50 0 IJAARN CCOc1ccc(C(=O)Cn2cc(-c3nc(-c4ccccc4Cl)no3)ccc2=O)cc1 ZINC000077200468 569586421 /nfs/dbraw/zinc/58/64/21/569586421.db2.gz YQWIEBIKVRGURH-UHFFFAOYSA-N 0 0 435.867 4.500 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)cc2-c1ccccc1 ZINC000045992377 569586997 /nfs/dbraw/zinc/58/69/97/569586997.db2.gz DZRNXLROCSZNSC-INIZCTEOSA-N 0 0 444.491 4.561 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000643657 193868834 /nfs/dbraw/zinc/86/88/34/193868834.db2.gz ZCXKBUFTMAMQBZ-UHFFFAOYSA-N 0 0 432.314 4.956 50 0 IJAARN Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000000649341 193871382 /nfs/dbraw/zinc/87/13/82/193871382.db2.gz FAVRKNCWOSQMLK-UHFFFAOYSA-N 0 0 438.940 4.932 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C)CCCC2 ZINC000000659329 193875881 /nfs/dbraw/zinc/87/58/81/193875881.db2.gz KVOFFYPBKPSHIR-UHFFFAOYSA-N 0 0 449.882 4.619 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(Cl)cc2C)cc1 ZINC000000654961 193873996 /nfs/dbraw/zinc/87/39/96/193873996.db2.gz OSCGZGACAGPJJG-UHFFFAOYSA-N 0 0 434.989 4.555 50 0 IJAARN COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000000660663 193876119 /nfs/dbraw/zinc/87/61/19/193876119.db2.gz DWCZXGFAGVCRSU-ZZAWEDPDSA-N 0 0 448.563 4.563 50 0 IJAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 ZINC000009855556 193908438 /nfs/dbraw/zinc/90/84/38/193908438.db2.gz BLWPXIRKXSELQR-UHFFFAOYSA-N 0 0 440.499 4.578 50 0 IJAARN CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000051357542 193925812 /nfs/dbraw/zinc/92/58/12/193925812.db2.gz CBFCLXVFVBOSIX-UHFFFAOYSA-N 0 0 447.535 4.877 50 0 IJAARN CSCC[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000223221431 193953533 /nfs/dbraw/zinc/95/35/33/193953533.db2.gz JZPZHJBITVIEFN-LJQANCHMSA-N 0 0 428.627 4.587 50 0 IJAARN Nc1ccccc1Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000000625933 132227946 /nfs/dbraw/zinc/22/79/46/132227946.db2.gz QIEGNXHOYBXFAW-UHFFFAOYSA-N 0 0 439.523 4.504 50 0 IJAARN Cc1cc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)ccc1I ZINC000000705671 132229442 /nfs/dbraw/zinc/22/94/42/132229442.db2.gz VZISSNQQVZGWKH-UHFFFAOYSA-N 0 0 439.252 4.652 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009646390 132234523 /nfs/dbraw/zinc/23/45/23/132234523.db2.gz JONOMDBIGKVYAA-OAQYLSRUSA-N 0 0 429.501 4.996 50 0 IJAARN Cc1nc(-c2ccc(CCNC(=O)N3CCN(c4cccc(C)c4)CC3)s2)cs1 ZINC000009670973 132234659 /nfs/dbraw/zinc/23/46/59/132234659.db2.gz JEFMNAHIIMLYMS-UHFFFAOYSA-N 0 0 426.611 4.563 50 0 IJAARN Cc1ccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)cc1Cl ZINC000009716639 132238694 /nfs/dbraw/zinc/23/86/94/132238694.db2.gz NATUVKLSRSGCAA-UHFFFAOYSA-N 0 0 438.911 4.572 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)[nH]c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000001385396 132244617 /nfs/dbraw/zinc/24/46/17/132244617.db2.gz YIUURCKRLFUPQV-UHFFFAOYSA-N 0 0 427.907 4.978 50 0 IJAARN CCOc1ccccc1N1CCN(c2cc(Sc3ccc(Cl)cc3)nc(N)n2)CC1 ZINC000001398301 132244848 /nfs/dbraw/zinc/24/48/48/132244848.db2.gz RAQXJBDDTPCWSZ-UHFFFAOYSA-N 0 0 441.988 4.589 50 0 IJAARN COc1ccc(CNC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 ZINC000003438076 132265414 /nfs/dbraw/zinc/26/54/14/132265414.db2.gz WHQDCMMLIMQYAT-XUZZJYLKSA-N 0 0 434.561 4.866 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)CS3)cc1 ZINC000003638696 132266800 /nfs/dbraw/zinc/26/68/00/132266800.db2.gz LZUKYSDAJMTVRY-UHFFFAOYSA-N 0 0 446.572 4.881 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000004122800 132270503 /nfs/dbraw/zinc/27/05/03/132270503.db2.gz BBIXURRLZQEIBP-UHFFFAOYSA-N 0 0 447.966 4.792 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC000006705898 132278389 /nfs/dbraw/zinc/27/83/89/132278389.db2.gz DEDTYDSSWVUJDV-UHFFFAOYSA-N 0 0 428.580 4.572 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000006782578 132278967 /nfs/dbraw/zinc/27/89/67/132278967.db2.gz DLMQYVXVVUZTET-HXUWFJFHSA-N 0 0 426.564 4.841 50 0 IJAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000006776148 132278977 /nfs/dbraw/zinc/27/89/77/132278977.db2.gz GADQYXGEBKOTMZ-UHFFFAOYSA-N 0 0 428.580 4.718 50 0 IJAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000006786051 132278987 /nfs/dbraw/zinc/27/89/87/132278987.db2.gz ODQXNBYXGJPWRT-UHFFFAOYSA-N 0 0 426.568 4.684 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[S@@](=O)c3ccccc3)o2)CC1 ZINC000008583449 132282580 /nfs/dbraw/zinc/28/25/80/132282580.db2.gz CMXMCKQYAPZGEN-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN Cc1cccc(N2CCN(C(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1C ZINC000008595762 132284764 /nfs/dbraw/zinc/28/47/64/132284764.db2.gz KUJOKBTUGZNQSA-UHFFFAOYSA-N 0 0 432.568 4.628 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)cc1OC ZINC000008604312 132286670 /nfs/dbraw/zinc/28/66/70/132286670.db2.gz QXNADJZYGXNBGZ-UHFFFAOYSA-N 0 0 448.588 4.789 50 0 biogenic IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000008832648 132295403 /nfs/dbraw/zinc/29/54/03/132295403.db2.gz GLIGLJOIIAUUOM-ZDUSSCGKSA-N 0 0 442.774 4.805 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000008876602 132296892 /nfs/dbraw/zinc/29/68/92/132296892.db2.gz XKYSJBLAMJFVGI-UHFFFAOYSA-N 0 0 431.546 4.892 50 0 IJAARN Cc1ccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000009115691 132303744 /nfs/dbraw/zinc/30/37/44/132303744.db2.gz DJWXBBAPNRSSPA-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009119126 132304728 /nfs/dbraw/zinc/30/47/28/132304728.db2.gz KVDJDVBBUOLAOJ-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000009127130 132305356 /nfs/dbraw/zinc/30/53/56/132305356.db2.gz DFBHGPIFOIMVGA-AWEZNQCLSA-N 0 0 440.487 4.670 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(C)cc3C)[C@H](c3ccsc3)C2=O)c1 ZINC000009129932 132305707 /nfs/dbraw/zinc/30/57/07/132305707.db2.gz NQFWENKCAJQBHK-HSZRJFAPSA-N 0 0 436.533 4.503 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000009208799 132308661 /nfs/dbraw/zinc/30/86/61/132308661.db2.gz GNYJQUOYQWMRIK-UHFFFAOYSA-N 0 0 439.563 4.742 50 0 IJAARN CC(=O)N1CCN(c2ccc(Oc3ncnc4scc(-c5ccccc5)c43)cc2)CC1 ZINC000009220929 132309499 /nfs/dbraw/zinc/30/94/99/132309499.db2.gz HKLHSMOFODOCAX-UHFFFAOYSA-N 0 0 430.533 4.819 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(NC(=O)N3CCSc4nc(C)cc(C)c43)cc2)o1 ZINC000009224597 132309735 /nfs/dbraw/zinc/30/97/35/132309735.db2.gz VFDLYWMKAJCDPL-UHFFFAOYSA-N 0 0 436.537 4.674 50 0 IJAARN Cc1ccccc1NC(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000009227648 132309898 /nfs/dbraw/zinc/30/98/98/132309898.db2.gz XBXYGQXBSJITFW-KRWDZBQOSA-N 0 0 431.471 4.587 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCC1=CCCCC1 ZINC000009250385 132310757 /nfs/dbraw/zinc/31/07/57/132310757.db2.gz BOBRMCZJLLBFLI-UHFFFAOYSA-N 0 0 438.593 4.992 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2cc(Cl)ccc2O1 ZINC000009405826 132315033 /nfs/dbraw/zinc/31/50/33/132315033.db2.gz UHQHCFIDSXZREA-CQSZACIVSA-N 0 0 431.895 4.537 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4F)CC3)c3n2CCCCC3)cc1 ZINC000009406735 132315627 /nfs/dbraw/zinc/31/56/27/132315627.db2.gz UACNQCXLDUHWFB-UHFFFAOYSA-N 0 0 432.543 4.686 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000009406274 132315670 /nfs/dbraw/zinc/31/56/70/132315670.db2.gz ONOPBFICWYCSNA-UHFFFAOYSA-N 0 0 432.955 4.716 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)cc1 ZINC000009468574 132318507 /nfs/dbraw/zinc/31/85/07/132318507.db2.gz YPSRVNBEHQXKRB-RDPSFJRHSA-N 0 0 440.503 4.695 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)c(OC)c1 ZINC000009499685 132319581 /nfs/dbraw/zinc/31/95/81/132319581.db2.gz VEBNOHAAFRHWSV-CYBMUJFWSA-N 0 0 440.569 4.956 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1)c1ccccc1 ZINC000009573244 132321993 /nfs/dbraw/zinc/32/19/93/132321993.db2.gz PJYMGCJCCNVDNN-QHCPKHFHSA-N 0 0 429.568 4.679 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000009594583 132322599 /nfs/dbraw/zinc/32/25/99/132322599.db2.gz USGFGFYSVKKLGS-CALCHBBNSA-N 0 0 436.581 4.537 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000009594577 132322620 /nfs/dbraw/zinc/32/26/20/132322620.db2.gz GMZFANQRTWHCRP-IRXDYDNUSA-N 0 0 436.581 4.591 50 0 IJAARN Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12 ZINC000009598426 132322899 /nfs/dbraw/zinc/32/28/99/132322899.db2.gz BEYXWVAOMKNFQW-HDICACEKSA-N 0 0 448.567 4.654 50 0 IJAARN C[C@H](C(=O)NCc1cccs1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692861 132326150 /nfs/dbraw/zinc/32/61/50/132326150.db2.gz IIKMUHNGWQRAAU-YCRPNKLZSA-N 0 0 440.565 4.847 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NCCc3ccccc3)C2=O)cc1 ZINC000009692918 132326191 /nfs/dbraw/zinc/32/61/91/132326191.db2.gz RCIFQNXMIWYELY-CPJSRVTESA-N 0 0 444.600 4.998 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCCc3ccccc3)C2=O)cc1 ZINC000009692915 132326219 /nfs/dbraw/zinc/32/62/19/132326219.db2.gz RCIFQNXMIWYELY-CJFMBICVSA-N 0 0 444.600 4.998 50 0 IJAARN Cc1c(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)noc1-c1ccc(F)cc1 ZINC000009728526 132327792 /nfs/dbraw/zinc/32/77/92/132327792.db2.gz ZTBVZNZQQDYVKO-QHCPKHFHSA-N 0 0 435.499 4.569 50 0 IJAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4CC(=O)Nc5ccccc54)c23)cc1 ZINC000009765991 132328634 /nfs/dbraw/zinc/32/86/34/132328634.db2.gz ZRMGICOGYXXOLN-UHFFFAOYSA-N 0 0 446.557 4.744 50 0 IJAARN CCCC[C@@H](CC)CNC(=O)C[C@@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009851248 132330293 /nfs/dbraw/zinc/33/02/93/132330293.db2.gz XSKBTAGHMZWEOP-WOJBJXKFSA-N 0 0 436.040 4.738 50 0 IJAARN Cc1nnc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000009865406 132330533 /nfs/dbraw/zinc/33/05/33/132330533.db2.gz FCYVRMXZFWVLKS-QFIPXVFZSA-N 0 0 442.544 4.835 50 0 IJAARN CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 ZINC000009892704 132330908 /nfs/dbraw/zinc/33/09/08/132330908.db2.gz YAIIXVMNUJTFDK-UHFFFAOYSA-N 0 0 430.504 4.619 50 0 IJAARN Cc1ccc(C(=O)CN2c3ccccc3S(=O)(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000009908815 132331589 /nfs/dbraw/zinc/33/15/89/132331589.db2.gz OFPNRFMYBCYPDX-UHFFFAOYSA-N 0 0 440.908 4.667 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1coc2cc(C)ccc12 ZINC000009983780 132333604 /nfs/dbraw/zinc/33/36/04/132333604.db2.gz LIGGOYXRDXJERA-UHFFFAOYSA-N 0 0 438.524 4.556 50 0 IJAARN c1ccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000013031781 132342730 /nfs/dbraw/zinc/34/27/30/132342730.db2.gz CJIBSHBLYKCBHB-UHFFFAOYSA-N 0 0 427.577 4.959 50 0 IJAARN O=C(OCc1ccc(Br)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013100774 132344557 /nfs/dbraw/zinc/34/45/57/132344557.db2.gz PJJOANHGDNWARO-UHFFFAOYSA-N 0 0 443.263 4.823 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)C[C@H]2O ZINC000013127846 132345492 /nfs/dbraw/zinc/34/54/92/132345492.db2.gz PPKCGYRFJHQKOM-QGZVFWFLSA-N 0 0 437.496 4.568 50 0 IJAARN Cn1c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(N3CCCCC3)cc2n(C)c1=O ZINC000013364858 132346548 /nfs/dbraw/zinc/34/65/48/132346548.db2.gz MQVYURKOXMUGEN-UHFFFAOYSA-N 0 0 447.461 4.530 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583508 132351044 /nfs/dbraw/zinc/35/10/44/132351044.db2.gz CKWSJWJPTFGYQH-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 ZINC000013610528 132351751 /nfs/dbraw/zinc/35/17/51/132351751.db2.gz SSZHZBLICCBEHN-UHFFFAOYSA-N 0 0 436.533 4.834 50 0 IJAARN COc1cccc(N2CCn3c(nc4cc(NC(=O)c5ccccc5Cl)ccc43)C2)c1 ZINC000013721948 132354183 /nfs/dbraw/zinc/35/41/83/132354183.db2.gz XXKYAEQCUVXRDD-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN CCOc1ccccc1N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000014216048 132356759 /nfs/dbraw/zinc/35/67/59/132356759.db2.gz YBCSVKSOJBJDHJ-UHFFFAOYSA-N 0 0 441.881 4.518 50 0 IJAARN CC(C)c1ccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c2)cc1 ZINC000000653958 517488163 /nfs/dbraw/zinc/48/81/63/517488163.db2.gz OZEKAVSUJBHDDW-QFIPXVFZSA-N 0 0 438.421 4.810 50 0 IJAARN Cc1ncc(COC(=O)C(C)C)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)oc12 ZINC000033267406 518193240 /nfs/dbraw/zinc/19/32/40/518193240.db2.gz YZLLPXHUKLZQCW-UHFFFAOYSA-N 0 0 439.855 4.566 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)o2)cc1 ZINC000012676842 518297180 /nfs/dbraw/zinc/29/71/80/518297180.db2.gz SROSJTCIOCMSKE-LJQANCHMSA-N 0 0 428.891 4.974 50 0 IJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C=Cc2ccccn2)C3)c1 ZINC000012097292 518339976 /nfs/dbraw/zinc/33/99/76/518339976.db2.gz DEAMXUJZEKTMIQ-OEAKIKGJSA-N 0 0 430.479 4.532 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc4c5c([nH]c43)CC[C@@H](C)C5)CC2)c(F)c1 ZINC000032914269 518349733 /nfs/dbraw/zinc/34/97/33/518349733.db2.gz GOPHCJGZEFBDGB-MRXNPFEDSA-N 0 0 433.527 4.597 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c(F)c1 ZINC000057386200 518352046 /nfs/dbraw/zinc/35/20/46/518352046.db2.gz KKFBXVGAHAXRJJ-UHFFFAOYSA-N 0 0 431.511 4.603 50 0 IJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000012795846 518398457 /nfs/dbraw/zinc/39/84/57/518398457.db2.gz BOGJTTPLJZBIET-HNNXBMFYSA-N 0 0 442.309 4.995 50 0 IJAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000013128250 518495899 /nfs/dbraw/zinc/49/58/99/518495899.db2.gz LRFDCWVWIDQIRG-UHFFFAOYSA-N 0 0 438.534 4.830 50 0 IJAARN CC(C)Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)cc1 ZINC000020468837 519432509 /nfs/dbraw/zinc/43/25/09/519432509.db2.gz UOISFZNLUIBWGF-UHFFFAOYSA-N 0 0 431.580 4.552 50 0 IJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3cccc4ccccc43)CCC(=O)N2)C1 ZINC000012183415 519611807 /nfs/dbraw/zinc/61/18/07/519611807.db2.gz QQASOJIBOUOODH-NEKDWFFYSA-N 0 0 448.607 4.665 50 0 IJAARN CC(=O)N1N=C(CSc2nnc(-c3ccccc3)n2-c2ccccc2)O[C@H]1c1ccco1 ZINC000015861241 519638341 /nfs/dbraw/zinc/63/83/41/519638341.db2.gz NPRFQEYUBGBYSD-QFIPXVFZSA-N 0 0 445.504 4.510 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864291 519653033 /nfs/dbraw/zinc/65/30/33/519653033.db2.gz FSCGLEJBTYJZHR-VWLOTQADSA-N 0 0 425.573 4.848 50 0 IJAARN CC(C)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C(=O)C1CC1 ZINC000036030565 519662326 /nfs/dbraw/zinc/66/23/26/519662326.db2.gz XVTLHBLSNSGJDU-UHFFFAOYSA-N 0 0 443.613 4.509 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000021771295 519674924 /nfs/dbraw/zinc/67/49/24/519674924.db2.gz PFNNPQFDFVTIRI-UHFFFAOYSA-N 0 0 433.455 4.646 50 0 IJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(C)cc4)o3)c2)cc1 ZINC000033307305 519711073 /nfs/dbraw/zinc/71/10/73/519711073.db2.gz DRPDKHQUFLGITB-UHFFFAOYSA-N 0 0 442.475 4.835 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 ZINC000013007210 519752218 /nfs/dbraw/zinc/75/22/18/519752218.db2.gz UFSPGOQNQQSKMO-UHFFFAOYSA-N 0 0 435.377 4.848 50 0 IJAARN CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1OC(C)=O ZINC000001510965 519758780 /nfs/dbraw/zinc/75/87/80/519758780.db2.gz WMLPPXAENBCRPY-HMAPJEAMSA-N 0 0 441.439 4.549 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccs1 ZINC000012581389 519820109 /nfs/dbraw/zinc/82/01/09/519820109.db2.gz KHFMPMRQGAYOOL-IBGZPJMESA-N 0 0 441.018 4.703 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000012550397 519820290 /nfs/dbraw/zinc/82/02/90/519820290.db2.gz YYPWUPMWGFMJDP-QFIPXVFZSA-N 0 0 430.483 4.762 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000021852622 519833765 /nfs/dbraw/zinc/83/37/65/519833765.db2.gz YOUOTRDCYKYPKB-XMMPIXPASA-N 0 0 442.991 4.918 50 0 IJAARN CCCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 ZINC000021796767 519869356 /nfs/dbraw/zinc/86/93/56/519869356.db2.gz IDFRORBXVUYMJZ-UHFFFAOYSA-N 0 0 439.563 4.845 50 0 IJAARN CC(C)c1nn2c(nc(CSc3ccccc3NC(=O)c3cccs3)cc2=O)s1 ZINC000020982897 519884059 /nfs/dbraw/zinc/88/40/59/519884059.db2.gz NVNALXLBNSIJQU-UHFFFAOYSA-N 0 0 442.591 4.881 50 0 IJAARN CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1Cc1ccco1 ZINC000022133432 519890689 /nfs/dbraw/zinc/89/06/89/519890689.db2.gz IZYHHFVXUWYIIG-KRWDZBQOSA-N 0 0 438.597 4.891 50 0 IJAARN CCCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000012137715 519904830 /nfs/dbraw/zinc/90/48/30/519904830.db2.gz KKFCMLXLDOJLNQ-UHFFFAOYSA-N 0 0 441.325 4.760 50 0 IJAARN CCCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)C3=C(C)OCCS3)c2)cc1 ZINC000020919472 520363470 /nfs/dbraw/zinc/36/34/70/520363470.db2.gz FGWRFXIMWCZILM-UHFFFAOYSA-N 0 0 440.565 4.647 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1occc1COc1ccccc1 ZINC000022242789 520368645 /nfs/dbraw/zinc/36/86/45/520368645.db2.gz UOVWSSCEVFKNOG-UHFFFAOYSA-N 0 0 446.425 4.978 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1cccs1 ZINC000036046039 520372411 /nfs/dbraw/zinc/37/24/11/520372411.db2.gz ZUQANBZTASXIJI-UHFFFAOYSA-N 0 0 430.533 4.702 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccccc2-n2cccn2)CC1 ZINC000012454496 520457720 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426.494 4.505 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NCc1ccccc1 ZINC000035809412 521531530 /nfs/dbraw/zinc/53/15/30/521531530.db2.gz UJGIHLRDTTZEOJ-UHFFFAOYSA-N 0 0 447.579 4.781 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000012378192 521532755 /nfs/dbraw/zinc/53/27/55/521532755.db2.gz VQDSJDLQYALCSO-UHFFFAOYSA-N 0 0 425.293 4.797 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(=O)Nc1cccc(C)c1 ZINC000035471567 521540437 /nfs/dbraw/zinc/54/04/37/521540437.db2.gz CYUOORKWAZDKHX-VWLOTQADSA-N 0 0 448.542 4.811 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000021100246 521542199 /nfs/dbraw/zinc/54/21/99/521542199.db2.gz IVOLYIBDYZRYCR-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CCCCC3 ZINC000035892514 521544229 /nfs/dbraw/zinc/54/42/29/521544229.db2.gz MYYYHYHUFFDTOA-UHFFFAOYSA-N 0 0 434.609 4.875 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c1 ZINC000035534863 521546344 /nfs/dbraw/zinc/54/63/44/521546344.db2.gz MNYQMNBSTKKJBO-UHFFFAOYSA-N 0 0 427.913 4.775 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000012796931 521547832 /nfs/dbraw/zinc/54/78/32/521547832.db2.gz RTBCDLOXEBUOGT-NLFFAJNJSA-N 0 0 432.520 4.537 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3F)cc2c1C ZINC000021150921 521607862 /nfs/dbraw/zinc/60/78/62/521607862.db2.gz XFHLIPJYVLEBIG-IBGZPJMESA-N 0 0 431.485 4.583 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033273875 521634081 /nfs/dbraw/zinc/63/40/81/521634081.db2.gz LTCZOYQYOOANDV-UHFFFAOYSA-N 0 0 432.549 4.543 50 0 IJAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000035944106 521680994 /nfs/dbraw/zinc/68/09/94/521680994.db2.gz FHTSKBJYRWGJQN-UHFFFAOYSA-N 0 0 437.584 4.942 50 0 IJAARN CCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021868916 521701766 /nfs/dbraw/zinc/70/17/66/521701766.db2.gz CMHXDELGVFXISJ-HHHXNRCGSA-N 0 0 446.595 4.814 50 0 IJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000035980893 521739537 /nfs/dbraw/zinc/73/95/37/521739537.db2.gz YENVSEUJPPLQPM-JOCHJYFZSA-N 0 0 448.567 4.898 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)[C@H](CC)c2ccccc2)c1 ZINC000035946395 521742974 /nfs/dbraw/zinc/74/29/74/521742974.db2.gz QXYOKHNYOQCFND-HSZRJFAPSA-N 0 0 436.600 4.826 50 0 IJAARN CCc1cccc(NC(=O)[C@@H]2CS[C@]3(c4ccc(Br)cc4)CCC(=O)N23)c1 ZINC000012754261 521766477 /nfs/dbraw/zinc/76/64/77/521766477.db2.gz VOMOFFSQEURLIP-RXVVDRJESA-N 0 0 445.382 4.541 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccccn3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888823 521793683 /nfs/dbraw/zinc/79/36/83/521793683.db2.gz MCIHZBVVXRZDLV-QFIPXVFZSA-N 0 0 443.547 4.981 50 0 IJAARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1=O ZINC000022131460 521854629 /nfs/dbraw/zinc/85/46/29/521854629.db2.gz QBROJNULWLFTNA-SFHVURJKSA-N 0 0 430.533 4.617 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C)cc1Cl)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563416 521868601 /nfs/dbraw/zinc/86/86/01/521868601.db2.gz ZYVHNGCVTARDJJ-FQEVSTJZSA-N 0 0 449.942 4.751 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012690507 521873461 /nfs/dbraw/zinc/87/34/61/521873461.db2.gz PEOQRLXNHBHMEP-UHFFFAOYSA-N 0 0 444.560 4.591 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000035399639 521882428 /nfs/dbraw/zinc/88/24/28/521882428.db2.gz SOYGEIJHKXTGGR-UHFFFAOYSA-N 0 0 436.515 4.601 50 0 IJAARN COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000041107768 521896090 /nfs/dbraw/zinc/89/60/90/521896090.db2.gz NORHFJLQXPYYIM-UHFFFAOYSA-N 0 0 447.915 4.603 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2nc(CSCC(=O)NCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000012817500 522031730 /nfs/dbraw/zinc/03/17/30/522031730.db2.gz YHRJVNFWDVXFQA-CYBMUJFWSA-N 0 0 447.601 4.570 50 0 IJAARN CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2ncc3ccccc3c2=O)c2cccs2)cc1 ZINC000013007048 522041472 /nfs/dbraw/zinc/04/14/72/522041472.db2.gz PZEWIQHLCJZUBV-BXKMTCNYSA-N 0 0 431.561 4.877 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)o1 ZINC000035848158 522054129 /nfs/dbraw/zinc/05/41/29/522054129.db2.gz DHLQAPSCMISNRE-UHFFFAOYSA-N 0 0 426.885 4.655 50 0 IJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)NC(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035867307 522055783 /nfs/dbraw/zinc/05/57/83/522055783.db2.gz VXSOJTAOLKYTLL-CVEARBPZSA-N 0 0 443.661 4.960 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1 ZINC000012893038 522074696 /nfs/dbraw/zinc/07/46/96/522074696.db2.gz PLCBVVNJPUQGMZ-ZDUSSCGKSA-N 0 0 434.924 4.503 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccccc1 ZINC000012893046 522075077 /nfs/dbraw/zinc/07/50/77/522075077.db2.gz PLCBVVNJPUQGMZ-CYBMUJFWSA-N 0 0 434.924 4.503 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000012417831 522096104 /nfs/dbraw/zinc/09/61/04/522096104.db2.gz VXOXGPFEEOEBQR-UHFFFAOYSA-N 0 0 445.544 4.796 50 0 IJAARN COC(=O)c1ccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020936162 522097755 /nfs/dbraw/zinc/09/77/55/522097755.db2.gz IOMMDYISPNIRQH-HSZRJFAPSA-N 0 0 428.488 4.508 50 0 IJAARN CN(C)c1c(CN(C(=O)c2ccccc2)C2CC2)c(C(F)(F)F)nn1-c1ccccc1 ZINC000035975266 522111188 /nfs/dbraw/zinc/11/11/88/522111188.db2.gz SIURDQNGSRPIQL-UHFFFAOYSA-N 0 0 428.458 4.762 50 0 IJAARN COc1cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)ccc1OCc1csc(C)n1 ZINC000012884850 522153256 /nfs/dbraw/zinc/15/32/56/522153256.db2.gz UDRJSWURRLANMI-UHFFFAOYSA-N 0 0 440.521 4.857 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196760 522174449 /nfs/dbraw/zinc/17/44/49/522174449.db2.gz CZGKORXWHBAQKP-ZJSXRUAMSA-N 0 0 432.451 4.863 50 0 IJAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(C)cc1C)C(=O)c1ccccc1S2 ZINC000015784978 522180796 /nfs/dbraw/zinc/18/07/96/522180796.db2.gz WKRJSCZGPISWNL-UHFFFAOYSA-N 0 0 446.528 4.840 50 0 IJAARN COc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1OC ZINC000012735803 522209655 /nfs/dbraw/zinc/20/96/55/522209655.db2.gz FPIPXHSVRQWVSD-LLVKDONJSA-N 0 0 428.710 4.834 50 0 IJAARN COC[C@@H](C)Oc1cccc(CN(Cc2ccncc2)C(=O)/C=C/c2ccc(OC)cc2)c1 ZINC000012157520 522260433 /nfs/dbraw/zinc/26/04/33/522260433.db2.gz ICSCAILUDYNPHJ-VZOQVYJPSA-N 0 0 446.547 4.746 50 0 IJAARN COc1cc(CCNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)ccc1OC(F)F ZINC000012889732 522334981 /nfs/dbraw/zinc/33/49/81/522334981.db2.gz WCXIEUNIHCQDGE-UHFFFAOYSA-N 0 0 437.512 4.645 50 0 IJAARN COc1cc(CN(C)C(=O)c2cccc(OCc3cscn3)c2)ccc1OC(F)F ZINC000023498544 522348213 /nfs/dbraw/zinc/34/82/13/522348213.db2.gz SIFXHURKMQTNNQ-UHFFFAOYSA-N 0 0 434.464 4.604 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000035723664 522374212 /nfs/dbraw/zinc/37/42/12/522374212.db2.gz QRUIEQXTXUQHLC-KUHUBIRLSA-N 0 0 442.972 4.571 50 0 IJAARN CC[C@@H](C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)cc1 ZINC000020614203 522429472 /nfs/dbraw/zinc/42/94/72/522429472.db2.gz LAIIOJZMBBYHKA-HXUWFJFHSA-N 0 0 425.598 4.850 50 0 IJAARN COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc(OC)c1OC ZINC000012770899 522717829 /nfs/dbraw/zinc/71/78/29/522717829.db2.gz LDEBJSSEWGVXOF-UHFFFAOYSA-N 0 0 437.427 4.615 50 0 IJAARN COc1cc(OC)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1Cl ZINC000012825156 522810983 /nfs/dbraw/zinc/81/09/83/522810983.db2.gz HMJOKBXXZJZSNY-UHFFFAOYSA-N 0 0 429.879 4.813 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1Cl ZINC000021840490 522812456 /nfs/dbraw/zinc/81/24/56/522812456.db2.gz KCBCLOXUYQIMFH-UHFFFAOYSA-N 0 0 436.693 4.762 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000012419399 522927593 /nfs/dbraw/zinc/92/75/93/522927593.db2.gz WZJRHQNJYALSNE-IBGZPJMESA-N 0 0 445.446 4.696 50 0 IJAARN COc1cc2c(C(=O)Oc3cc(C)cc(C)c3)cn(-c3ccccc3)c(=O)c2cc1OC ZINC000021109363 522990294 /nfs/dbraw/zinc/99/02/94/522990294.db2.gz JFCQKAZZJPOFKP-UHFFFAOYSA-N 0 0 429.472 4.844 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036043035 523036991 /nfs/dbraw/zinc/03/69/91/523036991.db2.gz AZVFSRPVAAXRCW-WXTAPIANSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1cccc(F)c1)CC2 ZINC000036042974 523049245 /nfs/dbraw/zinc/04/92/45/523049245.db2.gz INMCRYLDAJHSQZ-DWXRJYCRSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C)c1C)CC2 ZINC000012877645 523051466 /nfs/dbraw/zinc/05/14/66/523051466.db2.gz ICALRZLZVKOUGG-MHZLTWQESA-N 0 0 430.548 4.907 50 0 IJAARN CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)C(=O)Nc1cc(C)on1 ZINC000016811376 523085435 /nfs/dbraw/zinc/08/54/35/523085435.db2.gz XFASMRWHUMTWJY-QGZVFWFLSA-N 0 0 448.976 4.902 50 0 IJAARN COc1ccc(-c2cc(CNC(=O)C3c4ccccc4Oc4ccccc43)no2)cc1OC ZINC000012639017 523108554 /nfs/dbraw/zinc/10/85/54/523108554.db2.gz OTVUMOMCDXBTRU-UHFFFAOYSA-N 0 0 442.471 4.913 50 0 IJAARN CCn1c(=S)n(CN2CCOCC2)nc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000012882094 523114445 /nfs/dbraw/zinc/11/44/45/523114445.db2.gz JWAQQBUPJDINHZ-UHFFFAOYSA-N 0 0 431.565 4.606 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020733281 523152826 /nfs/dbraw/zinc/15/28/26/523152826.db2.gz MQONJGVZZCIUQK-QGZVFWFLSA-N 0 0 430.386 4.749 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2c(NC2CC2)n1 ZINC000017736305 523153935 /nfs/dbraw/zinc/15/39/35/523153935.db2.gz SDYCFZMYZQENQL-UHFFFAOYSA-N 0 0 430.936 4.747 50 0 IJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012738762 523217106 /nfs/dbraw/zinc/21/71/06/523217106.db2.gz IHBOXTYLJQKEHY-UHFFFAOYSA-N 0 0 443.469 4.804 50 0 IJAARN COc1ccc(-c2nc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)no2)cc1 ZINC000024047304 523218546 /nfs/dbraw/zinc/21/85/46/523218546.db2.gz ZNZWKDJCSZEEAX-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000012695036 523241721 /nfs/dbraw/zinc/24/17/21/523241721.db2.gz FLRZGNSYWNURRB-QHCPKHFHSA-N 0 0 425.488 4.802 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccc(F)cc3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000020991688 523256952 /nfs/dbraw/zinc/25/69/52/523256952.db2.gz BESZGZFQXLXOFY-UHFFFAOYSA-N 0 0 425.508 4.616 50 0 IJAARN COCCCN(Cc1cc2cc3c(cc2nc1-c1ccccc1C)OCO3)C(=O)C(C)C ZINC000012248095 523264426 /nfs/dbraw/zinc/26/44/26/523264426.db2.gz KCOQMEKURWMQCE-UHFFFAOYSA-N 0 0 434.536 4.960 50 0 IJAARN COc1ccc(-c2nnc(SCc3csc(COc4ccc(F)cc4)n3)n2C)cc1 ZINC000012747762 523264714 /nfs/dbraw/zinc/26/47/14/523264714.db2.gz ZTMAEEUHFSZAOC-UHFFFAOYSA-N 0 0 442.541 4.958 50 0 IJAARN CC[C@H]1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c2ccccc2S1 ZINC000020978273 523299533 /nfs/dbraw/zinc/29/95/33/523299533.db2.gz YZRLVWFFSUHBAB-INIZCTEOSA-N 0 0 430.551 4.738 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)c2ccccc21 ZINC000020438941 523303072 /nfs/dbraw/zinc/30/30/72/523303072.db2.gz NFVNUKWENYBXKK-HAHDFKILSA-N 0 0 427.504 4.650 50 0 IJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1 ZINC000022499121 523314827 /nfs/dbraw/zinc/31/48/27/523314827.db2.gz IXXGDOFMVJZJSJ-UHFFFAOYSA-N 0 0 428.492 4.964 50 0 IJAARN COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 ZINC000020841321 523320652 /nfs/dbraw/zinc/32/06/52/523320652.db2.gz OZARKGIVYSABIS-UHFFFAOYSA-N 0 0 449.601 4.736 50 0 IJAARN COc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c(OC)c1 ZINC000015858703 523333053 /nfs/dbraw/zinc/33/30/53/523333053.db2.gz XFFXERDIXQBNOH-UHFFFAOYSA-N 0 0 425.488 4.804 50 0 IJAARN COc1ccc(-n2nc3nc(NCCc4cccs4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929483 523349269 /nfs/dbraw/zinc/34/92/69/523349269.db2.gz WLCGSAUARAQTIR-UHFFFAOYSA-N 0 0 442.548 4.789 50 0 IJAARN COc1ccc(C=C(NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000012655941 523381851 /nfs/dbraw/zinc/38/18/51/523381851.db2.gz CXXBBGXBEAZVRY-JLPGSUDCSA-N 0 0 428.488 4.616 50 0 IJAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000012351927 523388558 /nfs/dbraw/zinc/38/85/58/523388558.db2.gz QHEQDNUACZLUET-RUDMXATFSA-N 0 0 425.735 4.638 50 0 IJAARN COc1ccc(/C=C\c2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)cc1OC ZINC000035131686 523435695 /nfs/dbraw/zinc/43/56/95/523435695.db2.gz UGADBSOMOKFVIC-XFFZJAGNSA-N 0 0 444.578 4.659 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909211 523606564 /nfs/dbraw/zinc/60/65/64/523606564.db2.gz IIPDPGOLOIQBFF-QHCPKHFHSA-N 0 0 448.494 4.786 50 0 IJAARN COc1ccc(C(=O)NC(=Cc2ccc(Cl)cc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000012380110 523617898 /nfs/dbraw/zinc/61/78/98/523617898.db2.gz UIDXQDZWIBBTKH-HZHRSRAPSA-N 0 0 448.906 4.961 50 0 IJAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN(Cc2ccccc2)CC(F)(F)F)C1=O ZINC000022002488 523626953 /nfs/dbraw/zinc/62/69/53/523626953.db2.gz JPTHWUKHQSSZHZ-HXUWFJFHSA-N 0 0 439.865 4.519 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)c2ccccc12 ZINC000012801003 523632182 /nfs/dbraw/zinc/63/21/82/523632182.db2.gz WFGKAIZWJPSOMF-IEBWSBKVSA-N 0 0 434.511 4.717 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1OC ZINC000016447502 523681388 /nfs/dbraw/zinc/68/13/88/523681388.db2.gz UFDZTBWYLCBWDN-UHFFFAOYSA-N 0 0 447.988 4.720 50 0 IJAARN COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2C)cc1OC ZINC000012538723 523734503 /nfs/dbraw/zinc/73/45/03/523734503.db2.gz NVTZRWVVVRVIGM-GOSISDBHSA-N 0 0 429.520 4.901 50 0 IJAARN CN1C2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035834798 523738783 /nfs/dbraw/zinc/73/87/83/523738783.db2.gz KGBLLBWVWAIZHU-XMMPIXPASA-N 0 0 443.478 4.611 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)cc1 ZINC000035928474 523757182 /nfs/dbraw/zinc/75/71/82/523757182.db2.gz LHVFRPWNKFBPHB-VWLOTQADSA-N 0 0 447.560 4.792 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1OC ZINC000017120695 523762669 /nfs/dbraw/zinc/76/26/69/523762669.db2.gz CZYGFDDMESQXRT-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN COc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4Cl)OC3=O)cc2)cc1 ZINC000020248156 523773949 /nfs/dbraw/zinc/77/39/49/523773949.db2.gz VOLNLCCSAFLEJE-KGENOOAVSA-N 0 0 433.847 4.912 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(Cl)c2)C12CCCCC2 ZINC000020737561 523809149 /nfs/dbraw/zinc/80/91/49/523809149.db2.gz SEGPKXIZWUQBQH-NRFANRHFSA-N 0 0 426.944 4.867 50 0 IJAARN CCc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)on1 ZINC000021719590 523843313 /nfs/dbraw/zinc/84/33/13/523843313.db2.gz LWYGXGFRYYAHDR-GOSISDBHSA-N 0 0 437.450 4.862 50 0 IJAARN COc1ccc(C)cc1S(=O)(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000017026517 523848878 /nfs/dbraw/zinc/84/88/78/523848878.db2.gz WOGHQUWJHVUWBG-UHFFFAOYSA-N 0 0 436.986 4.610 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@H]4CCCO4)c3n2)s1 ZINC000020603780 523852903 /nfs/dbraw/zinc/85/29/03/523852903.db2.gz KXZHVNDREYJPHW-SNVBAGLBSA-N 0 0 441.500 4.943 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000020617050 523877067 /nfs/dbraw/zinc/87/70/67/523877067.db2.gz DBOXUAWWOPBWAQ-WCTVFOPTSA-N 0 0 427.504 4.984 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)c3ccccc3F)C2)cc1 ZINC000035944414 523879713 /nfs/dbraw/zinc/87/97/13/523879713.db2.gz CCCHGHIWFYLAFZ-OAQYLSRUSA-N 0 0 436.458 4.809 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000035768964 523887059 /nfs/dbraw/zinc/88/70/59/523887059.db2.gz DITREBLBCIHGLN-UHFFFAOYSA-N 0 0 448.998 4.862 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-n3nc(C)c4c3nc(C)cc4C)cc2)cc1OC ZINC000040105133 523908752 /nfs/dbraw/zinc/90/87/52/523908752.db2.gz UMNGJVYEDKRFDV-UHFFFAOYSA-N 0 0 430.508 4.544 50 0 IJAARN CN(C(=O)c1ccccc1NC(=O)CCC(=O)OCCc1ccccc1)C1CCCCC1 ZINC000012137540 523948888 /nfs/dbraw/zinc/94/88/88/523948888.db2.gz QAHCIGNPRPPVBE-UHFFFAOYSA-N 0 0 436.552 4.596 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000012413317 523963746 /nfs/dbraw/zinc/96/37/46/523963746.db2.gz NBFKHKXPLWFKSF-HSZRJFAPSA-N 0 0 448.320 4.889 50 0 IJAARN CC[C@H](C)NC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1 ZINC000021102708 523963739 /nfs/dbraw/zinc/96/37/39/523963739.db2.gz GDWUAHODVKBGCX-SFHVURJKSA-N 0 0 433.600 4.719 50 0 IJAARN COc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1OC ZINC000015426013 523969530 /nfs/dbraw/zinc/96/95/30/523969530.db2.gz NGFRHCGFPDTKCQ-UHFFFAOYSA-N 0 0 439.512 4.524 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1 ZINC000033278101 523974126 /nfs/dbraw/zinc/97/41/26/523974126.db2.gz BYBJXPBENPFPCQ-UHFFFAOYSA-N 0 0 435.574 4.955 50 0 IJAARN CCc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)cc1 ZINC000035533294 523975070 /nfs/dbraw/zinc/97/50/70/523975070.db2.gz KURRVWKTIXWNKH-UHFFFAOYSA-N 0 0 427.599 4.616 50 0 IJAARN CCc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4ccccc4Cl)c(C)c3c2=O)cc1 ZINC000020417647 523977678 /nfs/dbraw/zinc/97/76/78/523977678.db2.gz CVSRNHQNUYSOTO-UHFFFAOYSA-N 0 0 448.954 4.718 50 0 IJAARN COc1ccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(C(C)=O)CC2)cc1 ZINC000020532290 523990158 /nfs/dbraw/zinc/99/01/58/523990158.db2.gz MLHBBCYJIPCDRL-UHFFFAOYSA-N 0 0 449.473 4.759 50 0 IJAARN CN1CCc2c(sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000020827893 523995215 /nfs/dbraw/zinc/99/52/15/523995215.db2.gz UFPISSJIUGKMEF-UHFFFAOYSA-N 0 0 433.602 4.787 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000033114201 523999183 /nfs/dbraw/zinc/99/91/83/523999183.db2.gz VQCNGHCUFBSRBP-ZDUSSCGKSA-N 0 0 444.944 4.551 50 0 IJAARN CCc1ccc(OCC(=O)Nc2cccc(COC(=O)COc3ccc(CC)cc3)c2)cc1 ZINC000012413418 524005505 /nfs/dbraw/zinc/00/55/05/524005505.db2.gz JBPSECQLTTUNNX-UHFFFAOYSA-N 0 0 447.531 4.951 50 0 IJAARN CCc1ccc(OCc2nnc(S[C@@H]3C[C@@H](C)OC3=O)n2[C@H](C)c2ccccc2)cc1 ZINC000239761412 524008480 /nfs/dbraw/zinc/00/84/80/524008480.db2.gz CJVCLAWJWVRISO-CBGDNZLLSA-N 0 0 437.565 4.825 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)ncn2)cc1 ZINC000033312004 524008985 /nfs/dbraw/zinc/00/89/85/524008985.db2.gz HVQDVMJQVRODBL-FQEVSTJZSA-N 0 0 444.579 4.968 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2ccccc2Cl)c1C ZINC000036003471 524023152 /nfs/dbraw/zinc/02/31/52/524023152.db2.gz LXHRHTCNQKTKPD-OAHLLOKOSA-N 0 0 442.899 4.578 50 0 IJAARN C[C@@H]1CCCCN1C(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920622 524091499 /nfs/dbraw/zinc/09/14/99/524091499.db2.gz WHCXCARKAJMGDH-APWZRJJASA-N 0 0 438.490 4.608 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)c1 ZINC000033281850 524117306 /nfs/dbraw/zinc/11/73/06/524117306.db2.gz UROBTBHPDYEKQP-UHFFFAOYSA-N 0 0 426.314 4.827 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021810929 524121788 /nfs/dbraw/zinc/12/17/88/524121788.db2.gz FKJNZRFQMBMSOK-MKTSZQRWSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4C)o3)no2)c1 ZINC000021721534 524135141 /nfs/dbraw/zinc/13/51/41/524135141.db2.gz IQHUWAIMRYRQLX-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)on2)c1OC ZINC000012593428 524135489 /nfs/dbraw/zinc/13/54/89/524135489.db2.gz LUOWJXLOBHTGDL-XMMPIXPASA-N 0 0 443.503 4.838 50 0 IJAARN Cc1cccc(C(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1 ZINC000021780319 524178665 /nfs/dbraw/zinc/17/86/65/524178665.db2.gz JXGZNARQEPMQLM-UHFFFAOYSA-N 0 0 449.352 4.521 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907884 524197986 /nfs/dbraw/zinc/19/79/86/524197986.db2.gz XKBUTLKAGHUAHL-FQEVSTJZSA-N 0 0 426.969 4.940 50 0 IJAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000021118041 524208137 /nfs/dbraw/zinc/20/81/37/524208137.db2.gz UJZCPOPSPHENPW-UHFFFAOYSA-N 0 0 446.145 4.510 50 0 IJAARN COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1=O ZINC000012415998 524219065 /nfs/dbraw/zinc/21/90/65/524219065.db2.gz OZPDBOUAMGFCJH-GFCCVEGCSA-N 0 0 437.805 4.938 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1ccc(C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000020617555 524252321 /nfs/dbraw/zinc/25/23/21/524252321.db2.gz QUUAJMGOVNUTMA-JTQLQIEISA-N 0 0 439.249 4.920 50 0 IJAARN COc1ccc(Cn2c3nnc(SCc4ccc(C)cc4)n3c3ccsc3c2=O)cc1 ZINC000035529310 524260510 /nfs/dbraw/zinc/26/05/10/524260510.db2.gz ZUCYYAASJWFLKJ-UHFFFAOYSA-N 0 0 448.573 4.763 50 0 IJAARN COc1ccccc1-c1cc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc2)no1 ZINC000036012503 524267313 /nfs/dbraw/zinc/26/73/13/524267313.db2.gz SWIFMRACFQOFBW-UHFFFAOYSA-N 0 0 442.471 4.922 50 0 IJAARN Cc1cccc(C)c1NC(=O)CCc1nnc2ccc(NCc3ccc(Cl)cc3)nn21 ZINC000021636711 524271363 /nfs/dbraw/zinc/27/13/63/524271363.db2.gz QEZSNBCBPGSZJP-UHFFFAOYSA-N 0 0 434.931 4.578 50 0 IJAARN COc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c(C)o1 ZINC000012415627 524280736 /nfs/dbraw/zinc/28/07/36/524280736.db2.gz VECMCZZTKUUNLA-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN COc1ccccc1-c1nnc(S[C@@H]2CCc3ccccc3NC2=O)n1-c1ccccc1 ZINC000020717901 524292234 /nfs/dbraw/zinc/29/22/34/524292234.db2.gz HPUYPXVHXXNHRX-JOCHJYFZSA-N 0 0 442.544 4.989 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C(=O)NCc2ccccc2)C1 ZINC000035836079 524373751 /nfs/dbraw/zinc/37/37/51/524373751.db2.gz VNDJGTYUOQWLRB-QFIPXVFZSA-N 0 0 429.520 4.600 50 0 IJAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)NCCc4ccccc4)c3)C2=O)c1 ZINC000035180966 524393061 /nfs/dbraw/zinc/39/30/61/524393061.db2.gz GPJFDWODZHKDIA-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN COc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012371151 524395917 /nfs/dbraw/zinc/39/59/17/524395917.db2.gz WIERCMHDCXKINJ-HUUCEWRRSA-N 0 0 447.318 4.934 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2Cc2ccco2)[C@@H]1C ZINC000021865208 524404099 /nfs/dbraw/zinc/40/40/99/524404099.db2.gz QZRZCEZOOJEPLG-CKWPORTCSA-N 0 0 449.551 4.697 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000021156947 524429685 /nfs/dbraw/zinc/42/96/85/524429685.db2.gz SROKTKYGSGZCJN-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862048 524435278 /nfs/dbraw/zinc/43/52/78/524435278.db2.gz DGLSSLXMGBTHSJ-MHZLTWQESA-N 0 0 444.579 4.598 50 0 IJAARN Cc1cccc(Cc2nnc(CCC(=O)NCC[C@@H](c3ccco3)c3ccc(F)cc3)o2)c1 ZINC000012208035 524472329 /nfs/dbraw/zinc/47/23/29/524472329.db2.gz JVRKUVBLVCPDOK-JOCHJYFZSA-N 0 0 447.510 4.972 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1Cl ZINC000035398631 524474059 /nfs/dbraw/zinc/47/40/59/524474059.db2.gz DLHYJOQIHQVGGU-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc1Cl ZINC000012306679 524483656 /nfs/dbraw/zinc/48/36/56/524483656.db2.gz YKLOZKJKIKSJAM-KRWDZBQOSA-N 0 0 440.975 4.866 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3C)n2)cc1 ZINC000033325060 524504566 /nfs/dbraw/zinc/50/45/66/524504566.db2.gz CSMBSMKRZQNZSA-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398022 524532755 /nfs/dbraw/zinc/53/27/55/524532755.db2.gz UHZCNNLRCAFOEE-UGKGYDQZSA-N 0 0 432.543 4.637 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C4CC4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)c1C ZINC000021852390 524535170 /nfs/dbraw/zinc/53/51/70/524535170.db2.gz XLYZDBJVYIMVMY-SANMLTNESA-N 0 0 434.584 4.635 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1C ZINC000021862597 524535742 /nfs/dbraw/zinc/53/57/42/524535742.db2.gz XLXWCPOZACYMSG-MHZLTWQESA-N 0 0 444.579 4.533 50 0 IJAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1C ZINC000021353870 524548043 /nfs/dbraw/zinc/54/80/43/524548043.db2.gz VVEOXZDAERBXFL-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000012534329 524563607 /nfs/dbraw/zinc/56/36/07/524563607.db2.gz XQSUWIGKFOVQAJ-UHFFFAOYSA-N 0 0 425.891 4.768 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2n2c(-c3ccccc3)nnc12 ZINC000035426744 524599770 /nfs/dbraw/zinc/59/97/70/524599770.db2.gz LXTIURDGDCLZBW-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000012344072 524612858 /nfs/dbraw/zinc/61/28/58/524612858.db2.gz GOKIGZHVOIJDKY-FQEVSTJZSA-N 0 0 426.314 4.896 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168669 524614224 /nfs/dbraw/zinc/61/42/24/524614224.db2.gz WQVOJFKRVQKIRU-SFHVURJKSA-N 0 0 434.565 4.800 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 ZINC000021976544 524632734 /nfs/dbraw/zinc/63/27/34/524632734.db2.gz YZJSZLNVVYNEGR-UHFFFAOYSA-N 0 0 444.512 4.810 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCCSc4ccccc43)cc2)cc1 ZINC000012551083 524636144 /nfs/dbraw/zinc/63/61/44/524636144.db2.gz XBYJZFDVRNXTIP-UHFFFAOYSA-N 0 0 447.560 4.888 50 0 IJAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2F)c1C ZINC000020664732 524658099 /nfs/dbraw/zinc/65/80/99/524658099.db2.gz SNOPRCHUJNDRRK-UHFFFAOYSA-N 0 0 426.513 4.516 50 0 IJAARN COc1ccc(NC2(c3nnnn3-c3cccc(C(F)(F)F)c3)CCCCC2)cc1OC ZINC000035622576 524674297 /nfs/dbraw/zinc/67/42/97/524674297.db2.gz QXYRRYCYWAGJQC-UHFFFAOYSA-N 0 0 447.461 4.970 50 0 IJAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)CCC(=O)N2)cc1 ZINC000012338051 524688072 /nfs/dbraw/zinc/68/80/72/524688072.db2.gz NYFNIGKKBLNPBS-QFQXNSOFSA-N 0 0 447.604 4.940 50 0 IJAARN C[C@@H](CNC(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000012768396 524704152 /nfs/dbraw/zinc/70/41/52/524704152.db2.gz YZJQCSBHEOAROB-KBPBESRZSA-N 0 0 446.370 4.900 50 0 IJAARN Cc1cccc(OCC(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000001268397 524716376 /nfs/dbraw/zinc/71/63/76/524716376.db2.gz KFQAZCRJMRXJCR-UHFFFAOYSA-N 0 0 437.487 4.506 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)c2cc(C(C)C)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021852240 524731594 /nfs/dbraw/zinc/73/15/94/524731594.db2.gz DNLYXTDJRRHVMI-XMMPIXPASA-N 0 0 442.991 4.836 50 0 IJAARN COc1ccccc1[C@@H](NC(=O)CSc1c(Cl)cccc1Cl)c1nccn1C ZINC000012601196 524736091 /nfs/dbraw/zinc/73/60/91/524736091.db2.gz DNNWENNLKBKSLZ-GOSISDBHSA-N 0 0 436.364 4.733 50 0 IJAARN COc1ccccc1[C@H]1CN(CCNC(=O)c2sccc2Cl)Cc2ccccc2O1 ZINC000012128392 524817315 /nfs/dbraw/zinc/81/73/15/524817315.db2.gz HVLDBZGHXOAWTP-OAQYLSRUSA-N 0 0 442.968 4.776 50 0 IJAARN COc1ccc(OC)c(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1 ZINC000021656677 524833267 /nfs/dbraw/zinc/83/32/67/524833267.db2.gz CMSLXVBMCHWUEU-UHFFFAOYSA-N 0 0 433.533 4.612 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 ZINC000035505019 524834583 /nfs/dbraw/zinc/83/45/83/524834583.db2.gz NOKLEQWXAPWSRA-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000012739110 524876737 /nfs/dbraw/zinc/87/67/37/524876737.db2.gz SMIQCXYKJPZTIA-AVRDEDQJSA-N 0 0 436.515 4.547 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000012559936 524882492 /nfs/dbraw/zinc/88/24/92/524882492.db2.gz WQHPIFJFRAUSIA-CQSZACIVSA-N 0 0 439.512 4.639 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021862157 524932848 /nfs/dbraw/zinc/93/28/48/524932848.db2.gz YIQDHOAGWAQQTK-SANMLTNESA-N 0 0 430.552 4.603 50 0 IJAARN C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2ccnc2)cc1 ZINC000012550840 524970213 /nfs/dbraw/zinc/97/02/13/524970213.db2.gz ZYBOFYMMFIBWSA-ZDUSSCGKSA-N 0 0 434.721 4.544 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2=O)cc1 ZINC000024766386 524979106 /nfs/dbraw/zinc/97/91/06/524979106.db2.gz JYJIFSHKAHYTEL-INIZCTEOSA-N 0 0 431.458 4.606 50 0 IJAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NCCc4ccccc4)c3)cn2)cc1 ZINC000065057928 524997327 /nfs/dbraw/zinc/99/73/27/524997327.db2.gz CRKNANTYKIYOEE-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Nc4cccs4)ccc32)cc1 ZINC000022505460 525032826 /nfs/dbraw/zinc/03/28/26/525032826.db2.gz BHTBMSCNTHCBIJ-UHFFFAOYSA-N 0 0 443.550 4.542 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000001127514 525047229 /nfs/dbraw/zinc/04/72/29/525047229.db2.gz BGJJPKNVEPVROA-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)cc2NC1=O ZINC000021449091 525062903 /nfs/dbraw/zinc/06/29/03/525062903.db2.gz YYFYFSKSLRGVPH-LLVKDONJSA-N 0 0 446.290 4.939 50 0 IJAARN Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798947 525077973 /nfs/dbraw/zinc/07/79/73/525077973.db2.gz ISIXAHSFLWBNMU-VMPITWQZSA-N 0 0 427.527 4.679 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1F ZINC000035533549 525084549 /nfs/dbraw/zinc/08/45/49/525084549.db2.gz KJDAEALWUIGSSM-GFCCVEGCSA-N 0 0 431.562 4.501 50 0 IJAARN Cc1cc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012004 525111799 /nfs/dbraw/zinc/11/17/99/525111799.db2.gz UMLIEUXLEHRWMA-UHFFFAOYSA-N 0 0 447.545 4.977 50 0 IJAARN Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441774 525111937 /nfs/dbraw/zinc/11/19/37/525111937.db2.gz CEAVMWFVZCXKJQ-UHFFFAOYSA-N 0 0 427.489 4.607 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)no1 ZINC000012815301 525150649 /nfs/dbraw/zinc/15/06/49/525150649.db2.gz JWRVPPZMUCWHHD-UHFFFAOYSA-N 0 0 427.869 4.709 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2C)N2Cc3ccccc3C2=O)cc1OC ZINC000021530556 525172196 /nfs/dbraw/zinc/17/21/96/525172196.db2.gz POYRMFMMHGLJNX-JOCHJYFZSA-N 0 0 448.494 4.877 50 0 IJAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OCc1cc(=O)n2ccccc2n1 ZINC000021156687 525186447 /nfs/dbraw/zinc/18/64/47/525186447.db2.gz KYRLRLBELYIFPS-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 ZINC000020903032 525196851 /nfs/dbraw/zinc/19/68/51/525196851.db2.gz AXHSJIVJXHQZKQ-AREMUKBSSA-N 0 0 449.982 4.811 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000021808321 525200898 /nfs/dbraw/zinc/20/08/98/525200898.db2.gz RFJPFVLMWOXCMB-XMMPIXPASA-N 0 0 439.556 4.706 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000021809690 525201417 /nfs/dbraw/zinc/20/14/17/525201417.db2.gz DOMMXYDMLHPHQH-AREMUKBSSA-N 0 0 449.620 4.999 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000012617282 525201712 /nfs/dbraw/zinc/20/17/12/525201712.db2.gz GILWJZSQKFNYJQ-HUUCEWRRSA-N 0 0 435.446 4.505 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000021160328 525211221 /nfs/dbraw/zinc/21/12/21/525211221.db2.gz ILMFMLAKZWMKLZ-UHFFFAOYSA-N 0 0 448.611 4.541 50 0 IJAARN Cc1ccccc1N1CCN(CC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000012568409 525224477 /nfs/dbraw/zinc/22/44/77/525224477.db2.gz RUCVHMUXFGTCLL-UHFFFAOYSA-N 0 0 432.549 4.625 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000012821004 525238206 /nfs/dbraw/zinc/23/82/06/525238206.db2.gz LONBEWPPBNICRX-RXVVDRJESA-N 0 0 441.531 4.707 50 0 IJAARN Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441799 525240240 /nfs/dbraw/zinc/24/02/40/525240240.db2.gz JXXBKIXUOIVZDB-UHFFFAOYSA-N 0 0 428.473 4.663 50 0 IJAARN Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000012535758 525257684 /nfs/dbraw/zinc/25/76/84/525257684.db2.gz XUDUALMEYQYJGR-UHFFFAOYSA-N 0 0 440.912 4.578 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)CC3CCCC3)cc2Cl)c1 ZINC000012729373 525268965 /nfs/dbraw/zinc/26/89/65/525268965.db2.gz WKFZRQHRYKBXAN-UHFFFAOYSA-N 0 0 434.945 4.515 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1OC ZINC000012495573 525270239 /nfs/dbraw/zinc/27/02/39/525270239.db2.gz YYVUZJGYXZNHJB-IBVKSMDESA-N 0 0 444.487 4.717 50 0 IJAARN Cc1ccccc1OCc1nnc(SC[C@H](O)COc2ccccc2)n1-c1ccccc1 ZINC000012558210 525316521 /nfs/dbraw/zinc/31/65/21/525316521.db2.gz LLHPHEJHMDREOP-OAQYLSRUSA-N 0 0 447.560 4.687 50 0 IJAARN C[C@@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1ccccc1Cl ZINC000012591199 525346088 /nfs/dbraw/zinc/34/60/88/525346088.db2.gz IZAGLJVKSLEQOO-MRXNPFEDSA-N 0 0 426.944 4.611 50 0 IJAARN COc1ccc([C@H](NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)C(C)C)cc1 ZINC000012798899 525368131 /nfs/dbraw/zinc/36/81/31/525368131.db2.gz PEPVDWXDSUAAGX-HSZRJFAPSA-N 0 0 447.560 4.647 50 0 IJAARN Cc1cc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc(C)c1Cl ZINC000012308353 525374779 /nfs/dbraw/zinc/37/47/79/525374779.db2.gz MDCBHFCCQMUSPD-UHFFFAOYSA-N 0 0 425.916 4.939 50 0 IJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)C1 ZINC000012541874 525388056 /nfs/dbraw/zinc/38/80/56/525388056.db2.gz FKQHUXWFKBKYLT-GASCZTMLSA-N 0 0 440.487 4.624 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cc1 ZINC000012683810 525408336 /nfs/dbraw/zinc/40/83/36/525408336.db2.gz ZINQGZMYPGSHSF-HSZRJFAPSA-N 0 0 433.552 4.819 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NCCC(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012766912 525432584 /nfs/dbraw/zinc/43/25/84/525432584.db2.gz JHAPTVLKEOWTNI-OFVILXPXSA-N 0 0 438.568 4.659 50 0 IJAARN Cc1cc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)nc(C)n1 ZINC000012522617 525444415 /nfs/dbraw/zinc/44/44/15/525444415.db2.gz XOOILPNSJGLLFU-UHFFFAOYSA-N 0 0 439.342 4.650 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3cccc(F)c3)n2)nnn1-c1ccccc1C(F)(F)F ZINC000020597807 525512560 /nfs/dbraw/zinc/51/25/60/525512560.db2.gz ILTFOOPYBGKKLG-UHFFFAOYSA-N 0 0 448.405 4.504 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000012528011 525537839 /nfs/dbraw/zinc/53/78/39/525537839.db2.gz WSBVOQZWYLMPOH-QHCPKHFHSA-N 0 0 435.549 4.530 50 0 IJAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012921314 525555025 /nfs/dbraw/zinc/55/50/25/525555025.db2.gz SSEJGQCVLXSRFR-UHFFFAOYSA-N 0 0 438.597 4.933 50 0 IJAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000016028059 525592178 /nfs/dbraw/zinc/59/21/78/525592178.db2.gz YWTOGIDBSRSNAX-INIZCTEOSA-N 0 0 441.778 4.593 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2CN(CCc2ccccc2)C1=O ZINC000035883566 525611553 /nfs/dbraw/zinc/61/15/53/525611553.db2.gz VVICFVZKOQCKNC-INIZCTEOSA-N 0 0 436.458 4.569 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCCCC2)C3=O)o1 ZINC000021810842 525615590 /nfs/dbraw/zinc/61/55/90/525615590.db2.gz KGCPMOFUDCZIFX-VWLOTQADSA-N 0 0 425.573 4.929 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)NCc1ccc(Cl)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990018 525616315 /nfs/dbraw/zinc/61/63/15/525616315.db2.gz IHMBMLRRSDOPAT-UHFFFAOYSA-N 0 0 430.957 4.763 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(C1CCCCCC1)C3=O ZINC000021527529 525643024 /nfs/dbraw/zinc/64/30/24/525643024.db2.gz JVJDFYBAXGRZQJ-SANMLTNESA-N 0 0 437.584 4.646 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1)C3=O ZINC000021855956 525643903 /nfs/dbraw/zinc/64/39/03/525643903.db2.gz LVTWLISJTNEEHC-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)c3ccc(F)c(Cl)c3)cc(=O)n2o1 ZINC000035378683 525672371 /nfs/dbraw/zinc/67/23/71/525672371.db2.gz IRCKBLCZLFVTME-UHFFFAOYSA-N 0 0 441.846 4.528 50 0 IJAARN Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)c3ccccc3Cl)cc(=O)n2o1 ZINC000041077222 525672809 /nfs/dbraw/zinc/67/28/09/525672809.db2.gz DXKUIPFESASYGQ-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN Cc1cc2nc(COc3cc(NC(=O)CSc4ccc(C)cc4)ccc3C)cc(=O)n2o1 ZINC000041085926 525674503 /nfs/dbraw/zinc/67/45/03/525674503.db2.gz CJKNHVFDTBTKGT-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801645 525676347 /nfs/dbraw/zinc/67/63/47/525676347.db2.gz IOIIABAYSAMESI-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccc(C)cc3)n2)c1 ZINC000012442116 525719137 /nfs/dbraw/zinc/71/91/37/525719137.db2.gz FWRSTSJMDUGEAB-UHFFFAOYSA-N 0 0 434.521 4.639 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)nc3n2)cc1 ZINC000015868181 525731782 /nfs/dbraw/zinc/73/17/82/525731782.db2.gz TZCPYNXLGBLHQQ-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN COc1cccc(-c2nnc(Sc3nccc(C(F)(F)F)n3)n2Cc2ccco2)c1 ZINC000012923662 525734169 /nfs/dbraw/zinc/73/41/69/525734169.db2.gz HODMPDDFIUQYAK-UHFFFAOYSA-N 0 0 433.415 4.555 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nccn3n2)c(C)c1 ZINC000033266558 525738882 /nfs/dbraw/zinc/73/88/82/525738882.db2.gz HOKDANFIGWRBFE-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607754 525764230 /nfs/dbraw/zinc/76/42/30/525764230.db2.gz IUJXGIKWNCXZGM-UHFFFAOYSA-N 0 0 430.888 4.602 50 0 IJAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000020893857 525787409 /nfs/dbraw/zinc/78/74/09/525787409.db2.gz JHZMLAMDVAIZSJ-UHFFFAOYSA-N 0 0 437.565 4.548 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccc(F)cc4)c(=O)c23)cc1 ZINC000012911194 525788439 /nfs/dbraw/zinc/78/84/39/525788439.db2.gz VGTXGXRUSBQSGU-MRXNPFEDSA-N 0 0 435.524 4.840 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccc(F)c1 ZINC000021808396 525792521 /nfs/dbraw/zinc/79/25/21/525792521.db2.gz IHVAHGBRVUFNPZ-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc(F)cc1 ZINC000021865790 525803920 /nfs/dbraw/zinc/80/39/20/525803920.db2.gz AUBVJSFAMIUARY-SANMLTNESA-N 0 0 443.478 4.623 50 0 IJAARN Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)cc1 ZINC000012554579 525806860 /nfs/dbraw/zinc/80/68/60/525806860.db2.gz WWWWQOISNMGGSG-UHFFFAOYSA-N 0 0 427.957 4.790 50 0 IJAARN Cc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000035511590 525826479 /nfs/dbraw/zinc/82/64/79/525826479.db2.gz DFYOBYSFJOLOIO-UHFFFAOYSA-N 0 0 437.297 4.982 50 0 IJAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(OC)c3)c2)c1 ZINC000035927262 525836472 /nfs/dbraw/zinc/83/64/72/525836472.db2.gz JGCXHRGBCMYOGO-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000032974897 525839046 /nfs/dbraw/zinc/83/90/46/525839046.db2.gz KMCVEDRKIIRWNJ-UHFFFAOYSA-N 0 0 439.515 4.825 50 0 IJAARN C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(=O)N(C)Cc1ccccc1 ZINC000069529898 525885267 /nfs/dbraw/zinc/88/52/67/525885267.db2.gz WGHKATBAGNUMBI-CJFMBICVSA-N 0 0 441.531 4.584 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000008432695 525893837 /nfs/dbraw/zinc/89/38/37/525893837.db2.gz VDRWJWNLEATANY-OAHLLOKOSA-N 0 0 447.874 4.564 50 0 IJAARN Cc1cn2c(nc(CSc3nc4ccc(NC(=O)C(C)(C)C)cc4s3)cc2=O)s1 ZINC000020984337 525941210 /nfs/dbraw/zinc/94/12/10/525941210.db2.gz BRKCAXOBUKWOJK-UHFFFAOYSA-N 0 0 444.607 4.951 50 0 IJAARN Cc1c2cc(OCC(=O)OC(C)C)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000011866277 525962055 /nfs/dbraw/zinc/96/20/55/525962055.db2.gz ILFCTFTVCHLDEI-UHFFFAOYSA-N 0 0 431.282 4.861 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)NC(C)(C)C)cc1 ZINC000035949457 525986472 /nfs/dbraw/zinc/98/64/72/525986472.db2.gz LJCVANAHKITEQY-HSZRJFAPSA-N 0 0 434.584 4.729 50 0 IJAARN COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)c1 ZINC000021362005 526002184 /nfs/dbraw/zinc/00/21/84/526002184.db2.gz BCVYMJXEOHHWDO-UHFFFAOYSA-N 0 0 431.467 4.806 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nnc(-c2cccs2)o1 ZINC000017665757 526003358 /nfs/dbraw/zinc/00/33/58/526003358.db2.gz JQKUPMACKQVBCS-UONOGXRCSA-N 0 0 440.550 4.540 50 0 IJAARN Cc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036043608 526021030 /nfs/dbraw/zinc/02/10/30/526021030.db2.gz QQVQYDSVXKUXRB-RPBOFIJWSA-N 0 0 430.523 4.615 50 0 IJAARN COc1cccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c1 ZINC000033299370 526029042 /nfs/dbraw/zinc/02/90/42/526029042.db2.gz MBUNMLWXTJYSCO-UHFFFAOYSA-N 0 0 446.472 4.526 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1 ZINC000033328850 526115065 /nfs/dbraw/zinc/11/50/65/526115065.db2.gz ADLLMZBYUWBGQV-UHFFFAOYSA-N 0 0 447.545 4.990 50 0 IJAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1-c1ccc(F)cc1)N(C)C ZINC000012554700 526186898 /nfs/dbraw/zinc/18/68/98/526186898.db2.gz QHRQPBPQXQGJNV-INIZCTEOSA-N 0 0 449.555 4.913 50 0 IJAARN Cc1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000012691312 526204103 /nfs/dbraw/zinc/20/41/03/526204103.db2.gz GPTZYTDKGZCKNM-HXUWFJFHSA-N 0 0 437.609 4.956 50 0 IJAARN CSc1nc2ccc(NC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)cc2s1 ZINC000022617096 526216630 /nfs/dbraw/zinc/21/66/30/526216630.db2.gz RWFIUFHAUKEDRW-KRWDZBQOSA-N 0 0 435.521 4.690 50 0 IJAARN CSc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1-c1ccc(F)cc1 ZINC000012247952 526228581 /nfs/dbraw/zinc/22/85/81/526228581.db2.gz ZYWXQAUJYVWDQH-UHFFFAOYSA-N 0 0 444.963 4.562 50 0 IJAARN CSc1nncn1-c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000012525848 526229881 /nfs/dbraw/zinc/22/98/81/526229881.db2.gz CKHPAMOJCAWWPM-UHFFFAOYSA-N 0 0 428.583 4.838 50 0 IJAARN O[C@H](COCc1ccccc1Cl)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000012549672 526285565 /nfs/dbraw/zinc/28/55/65/526285565.db2.gz NHNIAYPPMLISMH-GOSISDBHSA-N 0 0 441.940 4.851 50 0 IJAARN O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031489 526289176 /nfs/dbraw/zinc/28/91/76/526289176.db2.gz ZTCBRVKAEFHRED-FQEVSTJZSA-N 0 0 443.902 4.650 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)O[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000035681550 526289988 /nfs/dbraw/zinc/28/99/88/526289988.db2.gz PCRCPKXGXQVPFK-NALLFNBYSA-N 0 0 431.536 4.749 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)s2)n1 ZINC000033169445 526299593 /nfs/dbraw/zinc/29/95/93/526299593.db2.gz MRMHZZLSFDPRHH-UHFFFAOYSA-N 0 0 447.651 4.616 50 0 IJAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020714101 526315249 /nfs/dbraw/zinc/31/52/49/526315249.db2.gz XEWHEEQHGIOEQJ-SANMLTNESA-N 0 0 443.522 4.840 50 0 IJAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000021366942 526362392 /nfs/dbraw/zinc/36/23/92/526362392.db2.gz LBDBPQXRKMXXHH-QFIPXVFZSA-N 0 0 449.917 4.836 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)c(C)c3)nn12 ZINC000001067928 526424079 /nfs/dbraw/zinc/42/40/79/526424079.db2.gz NZQXGXFNKLOBNJ-UHFFFAOYSA-N 0 0 435.553 4.919 50 0 IJAARN O=C(OCc1nc(-c2cccnc2)no1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000021331775 526429711 /nfs/dbraw/zinc/42/97/11/526429711.db2.gz ARBUGIBPVROURT-UHFFFAOYSA-N 0 0 441.369 4.646 50 0 IJAARN O=C(NCCc1ccco1)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000012151096 526441199 /nfs/dbraw/zinc/44/11/99/526441199.db2.gz MVWCVJVJBCXLHZ-UHFFFAOYSA-N 0 0 442.519 4.969 50 0 IJAARN c1cc2c(s1)CCN(Cc1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCO3)C2 ZINC000012580113 526446516 /nfs/dbraw/zinc/44/65/16/526446516.db2.gz FXRLTJVYDMMDBO-UHFFFAOYSA-N 0 0 429.545 4.947 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012601404 526479816 /nfs/dbraw/zinc/47/98/16/526479816.db2.gz XVRFUHBHYBKARC-SFHVURJKSA-N 0 0 437.590 4.879 50 0 IJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000012342359 526494916 /nfs/dbraw/zinc/49/49/16/526494916.db2.gz HCUQJFFUWOTNOM-FQEVSTJZSA-N 0 0 425.326 4.572 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000034712962 526521200 /nfs/dbraw/zinc/52/12/00/526521200.db2.gz WZJMOCVMPLEHMJ-IBGZPJMESA-N 0 0 428.941 4.951 50 0 IJAARN Cc1nc(-c2ccc(-c3noc(CN4C(=O)COc5ccc(Cl)cc54)n3)cc2)cs1 ZINC000065032287 526563200 /nfs/dbraw/zinc/56/32/00/526563200.db2.gz UPNYBWMRGQHSSG-UHFFFAOYSA-N 0 0 438.896 4.748 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000016993970 526573036 /nfs/dbraw/zinc/57/30/36/526573036.db2.gz LAJDXMHSFZDUFU-UHFFFAOYSA-N 0 0 441.984 4.995 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000012205108 526576499 /nfs/dbraw/zinc/57/64/99/526576499.db2.gz JERFASWKKLCCNH-HKCYIWNRSA-N 0 0 430.592 4.848 50 0 IJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1 ZINC000035890472 526583695 /nfs/dbraw/zinc/58/36/95/526583695.db2.gz ZFUOQISNFIGIML-UHFFFAOYSA-N 0 0 446.570 4.877 50 0 IJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000017120530 526584397 /nfs/dbraw/zinc/58/43/97/526584397.db2.gz AGNFLCSODHKTIY-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN O=C(CCc1nc(-c2ccco2)no1)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000012869898 526646745 /nfs/dbraw/zinc/64/67/45/526646745.db2.gz XJTUCQVXJZSZCT-UHFFFAOYSA-N 0 0 428.400 4.641 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccc(F)c(Cl)c1 ZINC000021721393 526651453 /nfs/dbraw/zinc/65/14/53/526651453.db2.gz HUPOBVJQMDFXBY-UHFFFAOYSA-N 0 0 432.864 4.867 50 0 IJAARN O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000033279019 526654884 /nfs/dbraw/zinc/65/48/84/526654884.db2.gz HUYKLTMCQZWOAN-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN Cc1nc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)nn1-c1ccc(F)cc1 ZINC000012912277 526656946 /nfs/dbraw/zinc/65/69/46/526656946.db2.gz JWJPFDUSTRZJJX-UHFFFAOYSA-N 0 0 430.443 4.611 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000021032889 526657897 /nfs/dbraw/zinc/65/78/97/526657897.db2.gz IEPPWBFBJKFRGE-HXUWFJFHSA-N 0 0 436.483 4.938 50 0 IJAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000012391947 526659111 /nfs/dbraw/zinc/65/91/11/526659111.db2.gz YBQHSCWTXAOCFP-QGZVFWFLSA-N 0 0 430.335 4.643 50 0 IJAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N(CC1CC1)C[C@@H]1CCCO1 ZINC000012386717 526664393 /nfs/dbraw/zinc/66/43/93/526664393.db2.gz ZHIHTVOTMOCBLM-FQEVSTJZSA-N 0 0 443.975 4.543 50 0 IJAARN O=C(CCN1C(=S)N=NC1c1cccs1)Nc1cccc(C2SCCS2)c1 ZINC000018216761 526670110 /nfs/dbraw/zinc/67/01/10/526670110.db2.gz OTDDNRNDDLOCNL-UHFFFAOYSA-N 0 0 434.637 4.803 50 0 IJAARN O=C(NCc1ccc(F)cc1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000021358957 526673320 /nfs/dbraw/zinc/67/33/20/526673320.db2.gz DLRBGBOTWXNFAP-UHFFFAOYSA-N 0 0 446.438 4.517 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(Cc2noc(-c3cccc4ccccc43)n2)CC1 ZINC000034904761 526677153 /nfs/dbraw/zinc/67/71/53/526677153.db2.gz KBTQKRJRLAIFEW-UHFFFAOYSA-N 0 0 432.911 4.501 50 0 IJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(I)cc3)c12 ZINC000012815780 526677984 /nfs/dbraw/zinc/67/79/84/526677984.db2.gz KLHQUIGLQRNLSQ-UHFFFAOYSA-N 0 0 445.216 4.648 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783088 526701258 /nfs/dbraw/zinc/70/12/58/526701258.db2.gz BJICLDFRJPRCOM-UHFFFAOYSA-N 0 0 426.778 4.826 50 0 IJAARN O=C(NCc1ccccc1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1 ZINC000021050181 526734879 /nfs/dbraw/zinc/73/48/79/526734879.db2.gz XSZASTWUNCGLAN-UHFFFAOYSA-N 0 0 446.526 4.678 50 0 IJAARN O=C(c1cccc(Cn2cccn2)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000012449094 526763172 /nfs/dbraw/zinc/76/31/72/526763172.db2.gz GHJMFUUUXPYPQS-SANMLTNESA-N 0 0 433.515 4.596 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(F)c(Cl)c3)C2)c1)N1CCCC1 ZINC000033311506 526774672 /nfs/dbraw/zinc/77/46/72/526774672.db2.gz AJHDKFRRHWXJEU-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 ZINC000012180365 526792398 /nfs/dbraw/zinc/79/23/98/526792398.db2.gz CDFFFAXMKIZWQP-UHFFFAOYSA-N 0 0 440.952 4.875 50 0 IJAARN O=C(c1cccs1)[C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000011933191 526839209 /nfs/dbraw/zinc/83/92/09/526839209.db2.gz PQAIPZRANIBNBR-HNNXBMFYSA-N 0 0 435.471 4.836 50 0 IJAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000012568087 526865224 /nfs/dbraw/zinc/86/52/24/526865224.db2.gz WTJMQQDVLPTMIY-UHFFFAOYSA-N 0 0 442.588 4.618 50 0 IJAARN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000012555485 526909387 /nfs/dbraw/zinc/90/93/87/526909387.db2.gz KDBUMLXRHSRXCZ-UHFFFAOYSA-N 0 0 428.381 4.714 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)no1 ZINC000014772914 526911455 /nfs/dbraw/zinc/91/14/55/526911455.db2.gz OVWNHSWIAFPPTR-UHFFFAOYSA-N 0 0 431.477 4.586 50 0 IJAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc2c(c1)OCCO2 ZINC000012661167 526913341 /nfs/dbraw/zinc/91/33/41/526913341.db2.gz TWHSURCRMXQITL-UHFFFAOYSA-N 0 0 437.498 4.836 50 0 IJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012537813 526964663 /nfs/dbraw/zinc/96/46/63/526964663.db2.gz DXWPQVFCRQLECG-UHFFFAOYSA-N 0 0 446.503 4.953 50 0 IJAARN O=C(COc1ccccc1-c1noc(COc2ccc(Cl)cc2)n1)N1CCCCCC1 ZINC000033325291 526987497 /nfs/dbraw/zinc/98/74/97/526987497.db2.gz QGNVLWOHAYVUBT-UHFFFAOYSA-N 0 0 441.915 4.750 50 0 IJAARN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4Cl)cc3)ccc2N1 ZINC000012631294 526999026 /nfs/dbraw/zinc/99/90/26/526999026.db2.gz DPWAAZSQDBZZOR-UHFFFAOYSA-N 0 0 428.897 4.818 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N2CCOCC2)n1 ZINC000021794449 527002680 /nfs/dbraw/zinc/00/26/80/527002680.db2.gz AMPGBLDRCLXAPY-UHFFFAOYSA-N 0 0 445.567 4.915 50 0 IJAARN O=C(COc1nncc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012592570 527004275 /nfs/dbraw/zinc/00/42/75/527004275.db2.gz IPLDHPRSJIQIMQ-HXUWFJFHSA-N 0 0 432.867 4.633 50 0 IJAARN Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(C[C@@H]2CCCO2)c1C ZINC000022092458 527015497 /nfs/dbraw/zinc/01/54/97/527015497.db2.gz NSMKPOFWTGUTQV-YJBOKZPZSA-N 0 0 431.627 4.689 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nc4ccccc4s3)s1)CCC2 ZINC000017201254 527022148 /nfs/dbraw/zinc/02/21/48/527022148.db2.gz XOXDPSLQQKMYDJ-UHFFFAOYSA-N 0 0 425.560 4.926 50 0 IJAARN O=C(CSCc1ccccc1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000021687638 527024882 /nfs/dbraw/zinc/02/48/82/527024882.db2.gz WDNMCHVHAVXABE-UHFFFAOYSA-N 0 0 441.597 4.527 50 0 IJAARN O=C1C[C@H](c2cc(Br)ccc2F)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725721 527031560 /nfs/dbraw/zinc/03/15/60/527031560.db2.gz HSFZIFFEPFJTOT-LLVKDONJSA-N 0 0 443.301 4.858 50 0 IJAARN Cn1c(CCc2ccccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)nc2ccccc21 ZINC000021357053 527049900 /nfs/dbraw/zinc/04/99/00/527049900.db2.gz SRSUXVLJPRQPBB-UHFFFAOYSA-N 0 0 443.931 4.952 50 0 IJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCS[C@@H]1c1ccccc1F ZINC000012568034 527053234 /nfs/dbraw/zinc/05/32/34/527053234.db2.gz MZJKOLBERRIXIO-OAQYLSRUSA-N 0 0 440.569 4.650 50 0 IJAARN Cn1c(CNC(=O)C(c2ccccc2)c2ccccc2)nnc1SCc1ccc(F)cc1 ZINC000012508884 527059104 /nfs/dbraw/zinc/05/91/04/527059104.db2.gz SFWWCKBYNWQIEM-UHFFFAOYSA-N 0 0 446.551 4.695 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccc(F)cc1F ZINC000015881932 527075853 /nfs/dbraw/zinc/07/58/53/527075853.db2.gz WUBQRVROENLYJG-UHFFFAOYSA-N 0 0 445.882 4.720 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000012376606 527077477 /nfs/dbraw/zinc/07/74/77/527077477.db2.gz WLCSNKZRAFVKRG-UHFFFAOYSA-N 0 0 426.545 4.675 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1Cl ZINC000000681337 527082790 /nfs/dbraw/zinc/08/27/90/527082790.db2.gz YKVLCQKLSYNTIR-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012632060 527086412 /nfs/dbraw/zinc/08/64/12/527086412.db2.gz KVDNXVPVWDYUCH-FPOVZHCZSA-N 0 0 439.629 4.531 50 0 IJAARN O=C(CSc1nnc(NCCc2cccs2)s1)N(Cc1ccccc1F)C1CC1 ZINC000012882257 527086846 /nfs/dbraw/zinc/08/68/46/527086846.db2.gz YHDPUEWBFLHKFY-UHFFFAOYSA-N 0 0 448.614 4.677 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012632064 527086867 /nfs/dbraw/zinc/08/68/67/527086867.db2.gz KVDNXVPVWDYUCH-CTNGQTDRSA-N 0 0 439.629 4.531 50 0 IJAARN O=C(CSc1nncn1Cc1ccco1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000022193812 527091597 /nfs/dbraw/zinc/09/15/97/527091597.db2.gz NKABHTRTVOQUFG-FQEVSTJZSA-N 0 0 448.573 4.892 50 0 IJAARN O=C(C[C@@H](c1ccco1)c1ccccc1)N1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012570601 527097870 /nfs/dbraw/zinc/09/78/70/527097870.db2.gz CTAYXNWTXGBCFZ-XMMPIXPASA-N 0 0 433.548 4.872 50 0 IJAARN Cn1c2ccccc2c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1-c1ccccc1 ZINC000012814457 527109700 /nfs/dbraw/zinc/10/97/00/527109700.db2.gz YNIONDCYZUINAP-QFIPXVFZSA-N 0 0 445.588 4.710 50 0 IJAARN Cc1nc2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccs3)ccc2o1 ZINC000022131584 527127654 /nfs/dbraw/zinc/12/76/54/527127654.db2.gz BLGKYQOZTMNONI-FQEVSTJZSA-N 0 0 444.516 4.659 50 0 IJAARN O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000008825743 527130183 /nfs/dbraw/zinc/13/01/83/527130183.db2.gz DIDOINBRPQNADR-UHFFFAOYSA-N 0 0 429.476 4.824 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCCC[C@@H]4c4cccnc4)no3)ccc2s1 ZINC000012306780 527131237 /nfs/dbraw/zinc/13/12/37/527131237.db2.gz BXTMOGAENWEIAZ-OAQYLSRUSA-N 0 0 434.521 4.934 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000012425065 527145538 /nfs/dbraw/zinc/14/55/38/527145538.db2.gz BCQJRLWUNZEXFC-NRFANRHFSA-N 0 0 444.597 4.527 50 0 IJAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000015729585 527203015 /nfs/dbraw/zinc/20/30/15/527203015.db2.gz NDGRIVNGXGDJMR-UHFFFAOYSA-N 0 0 425.275 4.648 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000012753875 527223047 /nfs/dbraw/zinc/22/30/47/527223047.db2.gz PQCHSBCDVXKVSS-UHFFFAOYSA-N 0 0 447.322 4.891 50 0 IJAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012799955 527224575 /nfs/dbraw/zinc/22/45/75/527224575.db2.gz UOTKLTIZCNVGLS-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)NCc1cccnc1 ZINC000034675995 527234029 /nfs/dbraw/zinc/23/40/29/527234029.db2.gz SWNIANOGADYOCR-UHFFFAOYSA-N 0 0 445.538 4.803 50 0 IJAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557529 527237623 /nfs/dbraw/zinc/23/76/23/527237623.db2.gz KKZKAGHSIDACBS-GOSISDBHSA-N 0 0 429.567 4.812 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685073 527239848 /nfs/dbraw/zinc/23/98/48/527239848.db2.gz CFUBFQVVGGDLKO-MRXNPFEDSA-N 0 0 434.349 4.759 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018933 527240221 /nfs/dbraw/zinc/24/02/21/527240221.db2.gz ZMJSVEOPNBVQOF-HXUWFJFHSA-N 0 0 426.394 4.795 50 0 IJAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CC[C@@H](c2ccccc2)C1 ZINC000020977916 527268094 /nfs/dbraw/zinc/26/80/94/527268094.db2.gz RMODIWHKOXKHDZ-CYBMUJFWSA-N 0 0 428.457 4.600 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000022405829 527271882 /nfs/dbraw/zinc/27/18/82/527271882.db2.gz UIVJAKNRMWTFDR-UHFFFAOYSA-N 0 0 441.862 4.713 50 0 IJAARN O=S(=O)(c1ccc(F)cc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000012823249 527276608 /nfs/dbraw/zinc/27/66/08/527276608.db2.gz WYPUNDCVUSAFRE-UHFFFAOYSA-N 0 0 439.917 4.707 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)cc1 ZINC000034734383 527283301 /nfs/dbraw/zinc/28/33/01/527283301.db2.gz GJNVCIQKJMNBSQ-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000021493296 527283449 /nfs/dbraw/zinc/28/34/49/527283449.db2.gz GUGOVXAMJSRBAW-UHFFFAOYSA-N 0 0 441.549 4.843 50 0 IJAARN O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012781012 527284687 /nfs/dbraw/zinc/28/46/87/527284687.db2.gz GHBOSSHBKBTSBH-HNNXBMFYSA-N 0 0 428.337 4.681 50 0 IJAARN O=C(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000021221489 527287730 /nfs/dbraw/zinc/28/77/30/527287730.db2.gz QMTUMABXZKREDA-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1N1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000035373019 527295298 /nfs/dbraw/zinc/29/52/98/527295298.db2.gz GMDKBVRATFTNGC-UHFFFAOYSA-N 0 0 434.492 4.876 50 0 IJAARN O=S(=O)(c1nc(-c2ccco2)oc1N1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000012419543 527297073 /nfs/dbraw/zinc/29/70/73/527297073.db2.gz LRPPOZGTZIHRSY-UHFFFAOYSA-N 0 0 440.908 4.984 50 0 IJAARN O=C(Nc1ccc2nc(SCc3cc(=O)n4ccsc4n3)sc2c1)c1ccco1 ZINC000020983974 527300944 /nfs/dbraw/zinc/30/09/44/527300944.db2.gz UXCBXLNGIYFRJD-UHFFFAOYSA-N 0 0 440.531 4.503 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032949443 527331442 /nfs/dbraw/zinc/33/14/42/527331442.db2.gz YJAPJVDEANYNIR-QGZVFWFLSA-N 0 0 446.878 4.541 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1I ZINC000012748402 527334706 /nfs/dbraw/zinc/33/47/06/527334706.db2.gz DWHSZNSFUFBXFP-UHFFFAOYSA-N 0 0 426.304 4.657 50 0 IJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc(OC(F)(F)F)cc1 ZINC000012550880 527337569 /nfs/dbraw/zinc/33/75/69/527337569.db2.gz IIAYPBVEEOPCMD-UHFFFAOYSA-N 0 0 431.439 4.820 50 0 IJAARN O=C(Nc1cccc(NC(=O)c2ccccc2I)c1)c1cccs1 ZINC000001157833 527361458 /nfs/dbraw/zinc/36/14/58/527361458.db2.gz YRUIJYRGEFHJCB-UHFFFAOYSA-N 0 0 448.285 4.857 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)N1CCCCCC1 ZINC000020530083 527369981 /nfs/dbraw/zinc/36/99/81/527369981.db2.gz DXXNRLCYNDCCTA-UHFFFAOYSA-N 0 0 444.984 4.671 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1F ZINC000015437834 527372456 /nfs/dbraw/zinc/37/24/56/527372456.db2.gz URYBMQJTZIRGEN-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000017201092 527401200 /nfs/dbraw/zinc/40/12/00/527401200.db2.gz YGHDQXDRTRMRSC-UHFFFAOYSA-N 0 0 437.830 4.922 50 0 IJAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NCc1ccccn1)nc2-c1ccc(F)cc1 ZINC000035929972 527437565 /nfs/dbraw/zinc/43/75/65/527437565.db2.gz SRZWDWFHBRRJPP-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnnn1-c1ccccc1 ZINC000020353866 527442744 /nfs/dbraw/zinc/44/27/44/527442744.db2.gz NREOUCVPNIGHMO-UHFFFAOYSA-N 0 0 431.908 4.975 50 0 IJAARN O=c1c(=O)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000020560453 527450918 /nfs/dbraw/zinc/45/09/18/527450918.db2.gz BFTVMCQQKBXSLE-UHFFFAOYSA-N 0 0 442.946 4.515 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)CCCCc1ccc(Br)cc1)c1ccccc1 ZINC000040131873 527451272 /nfs/dbraw/zinc/45/12/72/527451272.db2.gz KTYIZMNEZPYWDD-NRFANRHFSA-N 0 0 426.358 4.801 50 0 IJAARN O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccc(Cl)c1 ZINC000002979008 527461039 /nfs/dbraw/zinc/46/10/39/527461039.db2.gz ZDAPLGKGKBBVMA-UHFFFAOYSA-N 0 0 442.331 4.854 50 0 IJAARN O=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021158809 527511999 /nfs/dbraw/zinc/51/19/99/527511999.db2.gz QJIGSEZWPLWIRQ-UHFFFAOYSA-N 0 0 434.559 4.889 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012809068 527526293 /nfs/dbraw/zinc/52/62/93/527526293.db2.gz ZTEBBRKUCJVWKB-UHFFFAOYSA-N 0 0 449.313 4.646 50 0 IJAARN O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1cc(-c2cccs2)on1 ZINC000021786027 527542240 /nfs/dbraw/zinc/54/22/40/527542240.db2.gz FIOYXNIFJWWATO-UHFFFAOYSA-N 0 0 439.518 4.729 50 0 IJAARN O=C(/C=C/c1ccccc1)OC[C@H]1[C@@H](COC(=O)/C=C\c2ccccc2)C1(Cl)Cl ZINC000034705951 527634092 /nfs/dbraw/zinc/63/40/92/527634092.db2.gz OPEOMUGBUBKGGU-JSUXSYEOSA-N 0 0 431.315 4.920 50 0 IJAARN FC(F)(F)c1ccnc(N2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)n1 ZINC000001048392 527688495 /nfs/dbraw/zinc/68/84/95/527688495.db2.gz KFOLWIYKLBJTOA-UHFFFAOYSA-N 0 0 448.499 4.555 50 0 IJAARN CCCCc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708850 535094155 /nfs/dbraw/zinc/09/41/55/535094155.db2.gz LAWFFICCTHZNKI-UHFFFAOYSA-N 0 0 434.544 4.547 50 0 IJAARN CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000010060186 535218009 /nfs/dbraw/zinc/21/80/09/535218009.db2.gz FTZGBFQVEWGCTA-AREMUKBSSA-N 0 0 449.558 4.674 50 0 IJAARN C=C1C(N2CCN(c3cccc(C)c3C)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009251843 535239103 /nfs/dbraw/zinc/23/91/03/535239103.db2.gz VLQDRGUZWNMGFR-UHFFFAOYSA-N 0 0 437.609 4.722 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000013571146 535958732 /nfs/dbraw/zinc/95/87/32/535958732.db2.gz YGHXWBNDVAYEMF-JOCHJYFZSA-N 0 0 442.519 4.617 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1 ZINC000009227653 535960729 /nfs/dbraw/zinc/96/07/29/535960729.db2.gz WXODHLRNPIQBSN-GOSISDBHSA-N 0 0 445.498 4.841 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000009250376 536770453 /nfs/dbraw/zinc/77/04/53/536770453.db2.gz AUFRVHLKPUTDAG-UHFFFAOYSA-N 0 0 436.533 4.633 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000009090285 537067451 /nfs/dbraw/zinc/06/74/51/537067451.db2.gz GVWFTPPSKDHGKG-UHFFFAOYSA-N 0 0 444.560 4.572 50 0 IJAARN Cc1oc2cc(OCC(=O)Nc3nccs3)ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000000627357 555513171 /nfs/dbraw/zinc/51/31/71/555513171.db2.gz JTNANUJMBFZQDI-UHFFFAOYSA-N 0 0 426.425 4.507 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1 ZINC000000628361 555513773 /nfs/dbraw/zinc/51/37/73/555513773.db2.gz DSEVZSULCYAXHN-UHFFFAOYSA-N 0 0 444.578 4.522 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3ccccc3F)n(-c3ccccc3)c(=O)c2c1C ZINC000000628597 555513791 /nfs/dbraw/zinc/51/37/91/555513791.db2.gz ZCWAQGDPYQJWKL-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000000636354 555517005 /nfs/dbraw/zinc/51/70/05/555517005.db2.gz BKSXPEIBCLBKPG-UHFFFAOYSA-N 0 0 442.544 4.551 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)N2CCOCC2)C1 ZINC000000643957 555519524 /nfs/dbraw/zinc/51/95/24/555519524.db2.gz COXZIDIKOPGBHC-INIZCTEOSA-N 0 0 444.572 4.763 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1Cl ZINC000000648670 555521970 /nfs/dbraw/zinc/52/19/70/555521970.db2.gz RJBLEVMBSBSFOQ-UHFFFAOYSA-N 0 0 433.986 4.566 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1OC ZINC000000661399 555526773 /nfs/dbraw/zinc/52/67/73/555526773.db2.gz NDICZIJCEICMLK-UHFFFAOYSA-N 0 0 433.533 4.801 50 0 IJAARN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000664367 555527577 /nfs/dbraw/zinc/52/75/77/555527577.db2.gz WRJLCXBQBZUPSL-UHFFFAOYSA-N 0 0 436.459 4.724 50 0 IJAARN O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1I ZINC000000670459 555530786 /nfs/dbraw/zinc/53/07/86/555530786.db2.gz APSDDGGDVSOWJJ-UHFFFAOYSA-N 0 0 442.256 4.796 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000000674671 555533377 /nfs/dbraw/zinc/53/33/77/555533377.db2.gz ZCGFQXVEVHXCJB-CXMBCZLWSA-N 0 0 436.459 4.911 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 ZINC000000674633 555533396 /nfs/dbraw/zinc/53/33/96/555533396.db2.gz CUTNVAFDMUCJKH-UHFFFAOYSA-N 0 0 444.597 4.557 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000000674742 555533740 /nfs/dbraw/zinc/53/37/40/555533740.db2.gz QMZURNJWNWLSCX-UHFFFAOYSA-N 0 0 444.597 4.566 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1cccc(C)c1 ZINC000000676538 555534899 /nfs/dbraw/zinc/53/48/99/555534899.db2.gz PTEZSIJPEQJGBV-UHFFFAOYSA-N 0 0 426.469 4.795 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1Br)c1ccccc1 ZINC000000682902 555538176 /nfs/dbraw/zinc/53/81/76/555538176.db2.gz AYOHVMYHPNGSTK-NEPJUHHUSA-N 0 0 427.136 4.856 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4C)n3C)n2)cc1 ZINC000000686731 555540052 /nfs/dbraw/zinc/54/00/52/555540052.db2.gz DFWRLLXZWOSXPT-UHFFFAOYSA-N 0 0 435.578 4.953 50 0 IJAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000000687334 555540407 /nfs/dbraw/zinc/54/04/07/555540407.db2.gz IRRRSJHQZHLYLC-AWEZNQCLSA-N 0 0 430.961 4.902 50 0 IJAARN COc1cc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc(OC)c1OC ZINC000000691603 555541673 /nfs/dbraw/zinc/54/16/73/555541673.db2.gz WXZSLOWTSCTYBP-UHFFFAOYSA-N 0 0 441.553 4.816 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000720073 555549758 /nfs/dbraw/zinc/54/97/58/555549758.db2.gz QFANYEUCKMDJJU-UHFFFAOYSA-N 0 0 436.846 4.815 50 0 IJAARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000000724288 555550757 /nfs/dbraw/zinc/55/07/57/555550757.db2.gz NRHJFGKUFDJCRQ-UHFFFAOYSA-N 0 0 442.338 4.688 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)c(C(=O)OCC)c1C ZINC000000726283 555551336 /nfs/dbraw/zinc/55/13/36/555551336.db2.gz MQLAPPZJVCIOOB-UHFFFAOYSA-N 0 0 447.553 4.859 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000000729199 555552248 /nfs/dbraw/zinc/55/22/48/555552248.db2.gz YMSBHOSRUDSSKF-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000000752794 555553572 /nfs/dbraw/zinc/55/35/72/555553572.db2.gz MTJHYXYFBDKNBN-UHFFFAOYSA-N 0 0 430.439 4.525 50 0 IJAARN CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CC(C)(C)OC3 ZINC000000751988 555553580 /nfs/dbraw/zinc/55/35/80/555553580.db2.gz VKPYKGAUHWEAFN-UHFFFAOYSA-N 0 0 437.384 4.783 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3CCc3ccccc3)sc2c1 ZINC000000783733 555555500 /nfs/dbraw/zinc/55/55/00/555555500.db2.gz CSVDIYQYAVESMT-UHFFFAOYSA-N 0 0 436.558 4.737 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1ccccc1Cl ZINC000000815765 555562136 /nfs/dbraw/zinc/56/21/36/555562136.db2.gz DSQVRJDZQNVOCE-UHFFFAOYSA-N 0 0 434.945 4.811 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000825894 555565182 /nfs/dbraw/zinc/56/51/82/555565182.db2.gz CAZMRVUANOUHSA-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(OC)c1 ZINC000000827043 555565402 /nfs/dbraw/zinc/56/54/02/555565402.db2.gz VFIZMRQOOLAMPC-UHFFFAOYSA-N 0 0 448.426 4.746 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000000832271 555566415 /nfs/dbraw/zinc/56/64/15/555566415.db2.gz OLVIHIKUEMCMIK-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000000882033 555577735 /nfs/dbraw/zinc/57/77/35/555577735.db2.gz ARADWWFCWPWHMH-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1cc([C@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc(OC)c1OC ZINC000000935562 555585669 /nfs/dbraw/zinc/58/56/69/555585669.db2.gz VZQMOSYWGCPMKB-MRXNPFEDSA-N 0 0 431.901 4.502 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000941948 555586981 /nfs/dbraw/zinc/58/69/81/555586981.db2.gz IAHCKZWIQKYZES-HXUWFJFHSA-N 0 0 439.298 4.839 50 0 IJAARN COc1ccccc1-c1c(=O)c2ccc(OCC(=O)OC(C)C)cc2oc1C(F)(F)F ZINC000000942670 555587357 /nfs/dbraw/zinc/58/73/57/555587357.db2.gz DLFGCMPOLPWBIM-UHFFFAOYSA-N 0 0 436.382 4.818 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 ZINC000000954623 555589745 /nfs/dbraw/zinc/58/97/45/555589745.db2.gz PSHXAKYCMUSLGT-LJQANCHMSA-N 0 0 448.588 4.870 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br ZINC000000953129 555589776 /nfs/dbraw/zinc/58/97/76/555589776.db2.gz ANTOUQQPLAOCSI-UHFFFAOYSA-N 0 0 444.709 4.698 50 0 IJAARN Cc1ccc(NCc2nnc(SCC(=O)OC(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000000977028 555592538 /nfs/dbraw/zinc/59/25/38/555592538.db2.gz PCUUYEASWDFOTG-UHFFFAOYSA-N 0 0 430.961 4.885 50 0 IJAARN O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000992833 555596780 /nfs/dbraw/zinc/59/67/80/555596780.db2.gz YZMSAPMQNFSVBG-UHFFFAOYSA-N 0 0 440.286 4.826 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000992917 555597136 /nfs/dbraw/zinc/59/71/36/555597136.db2.gz GGMLSVQBFAGBSA-UHFFFAOYSA-N 0 0 446.322 4.607 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000999599 555599889 /nfs/dbraw/zinc/59/98/89/555599889.db2.gz FABGEGAGWQSJKM-VQISRLSMSA-N 0 0 445.283 4.834 50 0 IJAARN C[C@H]1CC[C@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)C1 ZINC000000999535 555599925 /nfs/dbraw/zinc/59/99/25/555599925.db2.gz BCKUTQGKCPYHSO-KBPBESRZSA-N 0 0 428.458 4.774 50 0 IJAARN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000001003984 555600732 /nfs/dbraw/zinc/60/07/32/555600732.db2.gz FPEKAUFARMKWJK-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN Cc1c(C)c(C)c(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)c1C ZINC000001024156 555604003 /nfs/dbraw/zinc/60/40/03/555604003.db2.gz RBVITHGNVAXZCR-UHFFFAOYSA-N 0 0 435.536 4.791 50 0 IJAARN O=S(=O)(c1cc(Br)c(Cl)s1)N1CCC(Cc2ccccc2)CC1 ZINC000001028944 555605400 /nfs/dbraw/zinc/60/54/00/555605400.db2.gz VERRFQGHTAFFHL-UHFFFAOYSA-N 0 0 434.808 4.807 50 0 IJAARN O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(Oc2ccccc2)nc1 ZINC000001034807 555607799 /nfs/dbraw/zinc/60/77/99/555607799.db2.gz JQHGNHJSSRTQEQ-UHFFFAOYSA-N 0 0 429.548 4.537 50 0 IJAARN Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1=O ZINC000001041670 555610042 /nfs/dbraw/zinc/61/00/42/555610042.db2.gz WDOKUYIVMBNRIB-HXUWFJFHSA-N 0 0 436.920 4.577 50 0 IJAARN O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048720 555612092 /nfs/dbraw/zinc/61/20/92/555612092.db2.gz NDBDRPKARUFGTB-UHFFFAOYSA-N 0 0 436.377 4.727 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1 ZINC000001049366 555612446 /nfs/dbraw/zinc/61/24/46/555612446.db2.gz SSTVCLCIAVTJRC-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000001049849 555612707 /nfs/dbraw/zinc/61/27/07/555612707.db2.gz RSBXBWAHHDJYLU-UHFFFAOYSA-N 0 0 441.358 4.938 50 0 IJAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000001076585 555624264 /nfs/dbraw/zinc/62/42/64/555624264.db2.gz VJWSISDAWIVWJC-UHFFFAOYSA-N 0 0 446.367 4.599 50 0 IJAARN Cc1sc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)n(C)c(=O)c2c1C ZINC000001077869 555624990 /nfs/dbraw/zinc/62/49/90/555624990.db2.gz FPKRBFOHMSYCFS-UHFFFAOYSA-N 0 0 441.622 4.603 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)C1c3ccccc3C2c2ccccc21 ZINC000001092542 555627552 /nfs/dbraw/zinc/62/75/52/555627552.db2.gz FSXIBTQERIXXJV-LIKPIUCQSA-N 0 0 430.301 4.846 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc(C)c(C)c2c1=O ZINC000001105430 555629238 /nfs/dbraw/zinc/62/92/38/555629238.db2.gz KBBQZKXWWSSNBP-UHFFFAOYSA-N 0 0 437.384 4.832 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1N[C@@H](NC(C)=O)C(Cl)(Cl)Cl ZINC000001107915 555629858 /nfs/dbraw/zinc/62/98/58/555629858.db2.gz PLWPBDAXDVSMFY-MRXNPFEDSA-N 0 0 435.760 4.836 50 0 IJAARN COc1cc(NC(=O)c2c(OC)cccc2OC)ccc1NC(=O)c1ccccc1Cl ZINC000001113779 555633151 /nfs/dbraw/zinc/63/31/51/555633151.db2.gz RHXMITCIZHGUEY-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1 ZINC000001119537 555636643 /nfs/dbraw/zinc/63/66/43/555636643.db2.gz MJQSERBTPNKEEG-UHFFFAOYSA-N 0 0 430.917 4.617 50 0 IJAARN CN(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001124781 555640190 /nfs/dbraw/zinc/64/01/90/555640190.db2.gz OOIMKSWCHPWUMP-UHFFFAOYSA-N 0 0 449.359 4.920 50 0 IJAARN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000001125181 555640232 /nfs/dbraw/zinc/64/02/32/555640232.db2.gz BWWHWOWXBBLUDN-UHFFFAOYSA-N 0 0 441.380 4.595 50 0 IJAARN COc1cc(NC(=O)[C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)c(OC)cc1Cl ZINC000001126236 555641075 /nfs/dbraw/zinc/64/10/75/555641075.db2.gz JMNMPJLBWRQTOE-KRWDZBQOSA-N 0 0 429.687 4.796 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000001130720 555644301 /nfs/dbraw/zinc/64/43/01/555644301.db2.gz SBFOFNCBBYHPBN-UHFFFAOYSA-N 0 0 437.352 4.918 50 0 IJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000001134524 555646611 /nfs/dbraw/zinc/64/66/11/555646611.db2.gz VDJYYPSFPRQYER-AWEZNQCLSA-N 0 0 435.387 4.849 50 0 IJAARN Cc1ccccc1CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001136967 555647511 /nfs/dbraw/zinc/64/75/11/555647511.db2.gz HRYYWPSXGCVWID-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN O=C(C[C@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000001139181 555648832 /nfs/dbraw/zinc/64/88/32/555648832.db2.gz LAHMVPGEEFRDML-NDEPHWFRSA-N 0 0 425.528 4.615 50 0 IJAARN O=C(COc1ccccc1)Nc1cc2ccccc2cc1NC(=O)COc1ccccc1 ZINC000001141992 555650679 /nfs/dbraw/zinc/65/06/79/555650679.db2.gz RXPPLBHLOIKCAJ-UHFFFAOYSA-N 0 0 426.472 4.875 50 0 IJAARN CC(C)(C)N(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001158081 555660147 /nfs/dbraw/zinc/66/01/47/555660147.db2.gz BUKLWRRCTQCVPP-XMMPIXPASA-N 0 0 440.543 4.721 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccccc1Br ZINC000001160761 555661473 /nfs/dbraw/zinc/66/14/73/555661473.db2.gz CDFCUHNJNPTGMX-UHFFFAOYSA-N 0 0 438.277 4.704 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000001168261 555665301 /nfs/dbraw/zinc/66/53/01/555665301.db2.gz BQDUWHOUOUOQHU-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000001175108 555669151 /nfs/dbraw/zinc/66/91/51/555669151.db2.gz WSOTVNWAOMSYQS-GOSISDBHSA-N 0 0 437.499 4.849 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2F)cc1 ZINC000001185133 555673720 /nfs/dbraw/zinc/67/37/20/555673720.db2.gz YRJBILGANPCNBJ-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN O=C(Nc1ccc(NC(=O)c2ccccc2I)cc1)c1cccs1 ZINC000001186724 555674701 /nfs/dbraw/zinc/67/47/01/555674701.db2.gz BYMAEKTUALZMIH-UHFFFAOYSA-N 0 0 448.285 4.857 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000001194354 555676377 /nfs/dbraw/zinc/67/63/77/555676377.db2.gz UIYYGDCDTXQSOX-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001197092 555677348 /nfs/dbraw/zinc/67/73/48/555677348.db2.gz RJAILMIUBRCRRC-UHFFFAOYSA-N 0 0 428.941 4.736 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000001201512 555678459 /nfs/dbraw/zinc/67/84/59/555678459.db2.gz CZCHQQBSPLTZKU-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN CCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001205524 555680251 /nfs/dbraw/zinc/68/02/51/555680251.db2.gz PSRJMCJIALOFPO-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206449 555680586 /nfs/dbraw/zinc/68/05/86/555680586.db2.gz WRPTVENXBJFMIQ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000001207173 555680917 /nfs/dbraw/zinc/68/09/17/555680917.db2.gz MFWIFTYTDILBPI-UHFFFAOYSA-N 0 0 448.466 4.924 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)cc1 ZINC000001209664 555681819 /nfs/dbraw/zinc/68/18/19/555681819.db2.gz BVAKITFRQDCVGU-UHFFFAOYSA-N 0 0 430.411 4.932 50 0 IJAARN Cc1ccc(NC(=O)c2cc(Br)ccc2I)cc1C ZINC000001214006 555683421 /nfs/dbraw/zinc/68/34/21/555683421.db2.gz MWJBEEXPIOHUMM-UHFFFAOYSA-N 0 0 430.083 4.923 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N[C@H](C)c4ccccc4)cc3n2)cc1 ZINC000001216662 555684278 /nfs/dbraw/zinc/68/42/78/555684278.db2.gz XAONZIIQKVFHQN-CQSZACIVSA-N 0 0 440.425 4.915 50 0 IJAARN COc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000001219773 555685383 /nfs/dbraw/zinc/68/53/83/555685383.db2.gz UUSJBYUZCSUZIH-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000001411724 555694378 /nfs/dbraw/zinc/69/43/78/555694378.db2.gz POLFLZWAQXGGRJ-UHFFFAOYSA-N 0 0 427.913 4.549 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1Br ZINC000001417210 555695291 /nfs/dbraw/zinc/69/52/91/555695291.db2.gz ASKQUNRYMIMLEB-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN COc1cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc(OC)c1OC ZINC000001431968 555696499 /nfs/dbraw/zinc/69/64/99/555696499.db2.gz LMBGKEZGLRBZCH-UHFFFAOYSA-N 0 0 439.855 4.821 50 0 IJAARN Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000001800505 555716965 /nfs/dbraw/zinc/71/69/65/555716965.db2.gz WSMOIXZYDRZYKZ-UHFFFAOYSA-N 0 0 429.314 4.553 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002050549 555728962 /nfs/dbraw/zinc/72/89/62/555728962.db2.gz BOACLTDBJCQNJQ-NRFANRHFSA-N 0 0 432.398 4.797 50 0 IJAARN CCCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000002081948 555738381 /nfs/dbraw/zinc/73/83/81/555738381.db2.gz NIDIKMNBYTYBNN-ZDUSSCGKSA-N 0 0 447.553 4.718 50 0 IJAARN COc1ccccc1Cc1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000071889963 555739479 /nfs/dbraw/zinc/73/94/79/555739479.db2.gz GPOZTYUOCKLFIR-UHFFFAOYSA-N 0 0 429.314 4.528 50 0 IJAARN CCCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002088405 555740505 /nfs/dbraw/zinc/74/05/05/555740505.db2.gz KMNZIUAQJGRPHZ-LSDHHAIUSA-N 0 0 445.283 4.836 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 ZINC000002198213 555757200 /nfs/dbraw/zinc/75/72/00/555757200.db2.gz BHZGLRSSVXANIU-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN CCOC(=O)[C@]1(C)C(Br)=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000002199193 555757204 /nfs/dbraw/zinc/75/72/04/555757204.db2.gz OPCGRJGNCWNSTG-FQEVSTJZSA-N 0 0 449.732 4.727 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4F)C32)cc1 ZINC000002251290 555762233 /nfs/dbraw/zinc/76/22/33/555762233.db2.gz CFDNQXSJZDJKRD-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccco3)c(=O)c2c1C ZINC000002265507 555763708 /nfs/dbraw/zinc/76/37/08/555763708.db2.gz HGHJOZSFUWTZGU-UHFFFAOYSA-N 0 0 439.562 4.755 50 0 IJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1F ZINC000002308523 555767554 /nfs/dbraw/zinc/76/75/54/555767554.db2.gz SSZHPYJNLKCDFU-UHFFFAOYSA-N 0 0 427.888 4.858 50 0 IJAARN CCCC[C@@H](C(=O)Nc1ccc(OC)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002357530 555771603 /nfs/dbraw/zinc/77/16/03/555771603.db2.gz OJXACNOJIYADDE-SFHVURJKSA-N 0 0 435.307 4.796 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000002447902 555780752 /nfs/dbraw/zinc/78/07/52/555780752.db2.gz RQLCQHKIHWWWTF-UHFFFAOYSA-N 0 0 443.891 4.505 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000002466081 555783195 /nfs/dbraw/zinc/78/31/95/555783195.db2.gz JBVONAHFXASYEL-UHFFFAOYSA-N 0 0 426.494 4.556 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCc1ccncc1 ZINC000034679916 555791066 /nfs/dbraw/zinc/79/10/66/555791066.db2.gz XPKPHTLADHEXEQ-UHFFFAOYSA-N 0 0 443.478 4.520 50 0 IJAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccncc3)cc2)cc1 ZINC000034679750 555799968 /nfs/dbraw/zinc/79/99/68/555799968.db2.gz DRKVREOLYKGSFR-UHFFFAOYSA-N 0 0 439.515 4.689 50 0 IJAARN O=C(c1ccc(F)cc1)N(C[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1)C1CCCC1 ZINC000034691947 555805020 /nfs/dbraw/zinc/80/50/20/555805020.db2.gz QAJCQPZWJLXZOK-QHCPKHFHSA-N 0 0 430.951 4.765 50 0 IJAARN CC(C)c1ccc(-n2c3ncn(Cc4ccc(F)cc4)c3c(=O)n(C3CCCC3)c2=O)cc1 ZINC000034692753 555805296 /nfs/dbraw/zinc/80/52/96/555805296.db2.gz VSRQDCYSIGUULB-UHFFFAOYSA-N 0 0 446.526 4.775 50 0 IJAARN Cc1cccc(-n2c3ncn(Cc4ccccc4C)c3c(=O)n(C3CCCCC3)c2=O)c1 ZINC000034693516 555808021 /nfs/dbraw/zinc/80/80/21/555808021.db2.gz LASVEAURRLUCAN-UHFFFAOYSA-N 0 0 428.536 4.519 50 0 IJAARN CC(C)c1ccc(-n2c3ncn(Cc4ccccc4Cl)c3c(=O)n(C3CC3)c2=O)cc1 ZINC000034693818 555808539 /nfs/dbraw/zinc/80/85/39/555808539.db2.gz NDKLYKJZRXEKGA-UHFFFAOYSA-N 0 0 434.927 4.509 50 0 IJAARN Cc1cc(Br)cc(Br)c1NC(=O)CSc1ccccc1N ZINC000002746465 555809180 /nfs/dbraw/zinc/80/91/80/555809180.db2.gz UFZXMYCCMLVZDV-UHFFFAOYSA-N 0 0 430.165 4.833 50 0 IJAARN O=C(Nc1cnn(Cc2ccccc2)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769257 555814927 /nfs/dbraw/zinc/81/49/27/555814927.db2.gz JTVZORFLBTTZCU-UHFFFAOYSA-N 0 0 444.445 4.831 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4c(F)cccc4F)CC3)nc2)c1 ZINC000034681865 555815631 /nfs/dbraw/zinc/81/56/31/555815631.db2.gz SEDWKBFREAMEKX-UHFFFAOYSA-N 0 0 436.506 4.633 50 0 IJAARN CCCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683349 555818723 /nfs/dbraw/zinc/81/87/23/555818723.db2.gz FYVYYPZCJDNDKH-UHFFFAOYSA-N 0 0 440.584 4.819 50 0 IJAARN O=C(NCc1ccccc1F)c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC000034684438 555819891 /nfs/dbraw/zinc/81/98/91/555819891.db2.gz FNASTADKQHXVHL-UHFFFAOYSA-N 0 0 437.946 4.731 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714354 555821324 /nfs/dbraw/zinc/82/13/24/555821324.db2.gz XOXWDTMCOVDING-KRWDZBQOSA-N 0 0 430.476 4.576 50 0 IJAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccccc1Cl ZINC000002797064 555822805 /nfs/dbraw/zinc/82/28/05/555822805.db2.gz RYSNGHNDHPWCCI-UHFFFAOYSA-N 0 0 432.303 4.707 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2 ZINC000034708409 555823078 /nfs/dbraw/zinc/82/30/78/555823078.db2.gz JZDZHCCTYDBLHM-LOSJGSFVSA-N 0 0 434.580 4.563 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000002840836 555835260 /nfs/dbraw/zinc/83/52/60/555835260.db2.gz LFUFPXNKMDVFRL-UHFFFAOYSA-N 0 0 430.504 4.634 50 0 IJAARN CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccc3ccccc32)c2ccccc12 ZINC000002841635 555835795 /nfs/dbraw/zinc/83/57/95/555835795.db2.gz AHEYRSFBEBLHJP-UHFFFAOYSA-N 0 0 433.485 4.660 50 0 IJAARN CC(C)OC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2)cc(C(=O)OC(C)C)c1 ZINC000002853740 555840822 /nfs/dbraw/zinc/84/08/22/555840822.db2.gz RZRCKDQJKYMADM-UHFFFAOYSA-N 0 0 448.972 4.957 50 0 IJAARN COC(=O)c1sc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)nc1C ZINC000002867469 555847781 /nfs/dbraw/zinc/84/77/81/555847781.db2.gz CVWSARFAUYNEOZ-UHFFFAOYSA-N 0 0 438.896 4.754 50 0 IJAARN Cc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000002873329 555850645 /nfs/dbraw/zinc/85/06/45/555850645.db2.gz XXVLEGOFFSQHBK-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1cccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1 ZINC000002874370 555851317 /nfs/dbraw/zinc/85/13/17/555851317.db2.gz RBRXUCKPSVEJLZ-INIZCTEOSA-N 0 0 431.315 4.535 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000002879295 555853892 /nfs/dbraw/zinc/85/38/92/555853892.db2.gz MTJHDCDCEZSHDD-UHFFFAOYSA-N 0 0 432.904 4.551 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccs1)Nc1ccc(Cl)cc1 ZINC000002882009 555855968 /nfs/dbraw/zinc/85/59/68/555855968.db2.gz JNWXNGHMDUWCEN-IBGZPJMESA-N 0 0 439.924 4.768 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000002886326 555858153 /nfs/dbraw/zinc/85/81/53/555858153.db2.gz OPXGWTLCWAAUTO-LJQANCHMSA-N 0 0 438.549 4.616 50 0 IJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000002902809 555860938 /nfs/dbraw/zinc/86/09/38/555860938.db2.gz XJCXUMDGCSMDCG-LICLKQGHSA-N 0 0 433.327 4.954 50 0 IJAARN CCc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002929623 555863687 /nfs/dbraw/zinc/86/36/87/555863687.db2.gz OCHJBAQBIRMWRT-HSZRJFAPSA-N 0 0 449.934 4.670 50 0 IJAARN COc1cccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)Nc3cccc(C)c3)CC2)c1 ZINC000034723709 555864164 /nfs/dbraw/zinc/86/41/64/555864164.db2.gz KCNASNRBLXJENN-UHFFFAOYSA-N 0 0 443.547 4.979 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CCCC1)CC2 ZINC000034717082 555867061 /nfs/dbraw/zinc/86/70/61/555867061.db2.gz RWHKGJNSNSDKEE-UQBPGWFLSA-N 0 0 434.580 4.563 50 0 IJAARN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034729049 555869075 /nfs/dbraw/zinc/86/90/75/555869075.db2.gz CONNZDKKBCSENA-UHFFFAOYSA-N 0 0 437.559 4.859 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(F)cc2)cc1 ZINC000002979086 555871130 /nfs/dbraw/zinc/87/11/30/555871130.db2.gz PJRZIOMTTBCBDV-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000034724503 555881392 /nfs/dbraw/zinc/88/13/92/555881392.db2.gz LZDXFXJCEQZMJG-UHFFFAOYSA-N 0 0 433.596 4.649 50 0 IJAARN O=C(Cc1cccs1)N1C[C@H](C(=O)NCc2cccc(F)c2)CC[C@@H]1c1ccccc1 ZINC000034739963 555882980 /nfs/dbraw/zinc/88/29/80/555882980.db2.gz DBCXPHYMNJMKHQ-NFBKMPQASA-N 0 0 436.552 4.726 50 0 IJAARN CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccs2)C1 ZINC000034739984 555882998 /nfs/dbraw/zinc/88/29/98/555882998.db2.gz YPHGBBIORDRNMP-ISKFKSNPSA-N 0 0 432.589 4.929 50 0 IJAARN CCc1ccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000034738471 555888743 /nfs/dbraw/zinc/88/87/43/555888743.db2.gz ZDELSINMUSOPBW-OWAUWMPXSA-N 0 0 430.548 4.965 50 0 IJAARN Cc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000003130717 555890183 /nfs/dbraw/zinc/89/01/83/555890183.db2.gz OYKUTGUUWMORSC-HNNXBMFYSA-N 0 0 434.751 4.547 50 0 IJAARN CCOC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003130727 555890209 /nfs/dbraw/zinc/89/02/09/555890209.db2.gz DQJRHTSMMWQTPH-SECBINFHSA-N 0 0 439.579 4.722 50 0 IJAARN Cc1cc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2cccn2C)CC3)ccc1F ZINC000034755816 555900984 /nfs/dbraw/zinc/90/09/84/555900984.db2.gz KVOJQZLUNMJDNB-UHFFFAOYSA-N 0 0 449.574 4.850 50 0 IJAARN COc1ccccc1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000003221714 555901974 /nfs/dbraw/zinc/90/19/74/555901974.db2.gz VYUYUYJENRZJQJ-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCCN(C(=O)Cc2cccs2)CC1 ZINC000034812974 555909742 /nfs/dbraw/zinc/90/97/42/555909742.db2.gz KTWQOWVSLGLHFB-UHFFFAOYSA-N 0 0 447.560 4.718 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034813510 555910374 /nfs/dbraw/zinc/91/03/74/555910374.db2.gz IGRQDBZZVSRVSO-QGZVFWFLSA-N 0 0 445.494 4.865 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1cccc(OC)c1 ZINC000034837255 555914415 /nfs/dbraw/zinc/91/44/15/555914415.db2.gz WELIIQUNCXHTTM-UHFFFAOYSA-N 0 0 449.551 4.804 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(Cc2noc(-c3ccc4ccccc4c3)n2)CC1 ZINC000034904784 555919299 /nfs/dbraw/zinc/91/92/99/555919299.db2.gz IMTPSOUCVDPQMN-UHFFFAOYSA-N 0 0 432.911 4.501 50 0 IJAARN CC(C)n1c2ccccc2nc1N1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034907235 555921026 /nfs/dbraw/zinc/92/10/26/555921026.db2.gz FLHHTZRXPNWNGE-UHFFFAOYSA-N 0 0 448.592 4.718 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000004113198 555963865 /nfs/dbraw/zinc/96/38/65/555963865.db2.gz AARMAMAANRYGPT-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc(-n2cccc2)cc1 ZINC000004121875 555965443 /nfs/dbraw/zinc/96/54/43/555965443.db2.gz VBSRBYPVPRJLGH-NDEPHWFRSA-N 0 0 436.511 4.527 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000004173397 555972678 /nfs/dbraw/zinc/97/26/78/555972678.db2.gz FABGEGAGWQSJKM-NZVBXONLSA-N 0 0 445.283 4.834 50 0 IJAARN CCOC(CSc1nc2ccccc2nc1SCC(OCC)OCC)OCC ZINC000004321711 555986469 /nfs/dbraw/zinc/98/64/69/555986469.db2.gz GKSAPEZWCBADRW-UHFFFAOYSA-N 0 0 426.604 4.612 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000004418968 555993928 /nfs/dbraw/zinc/99/39/28/555993928.db2.gz SKPGVCIOAUBKMJ-UHFFFAOYSA-N 0 0 428.598 4.517 50 0 IJAARN CCCNC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002303858 556075516 /nfs/dbraw/zinc/07/55/16/556075516.db2.gz UEYAXHBVTVPNBD-WCBMZHEXSA-N 0 0 437.285 4.507 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCCn1ccnc1)c1ccccc1 ZINC000006250834 556082813 /nfs/dbraw/zinc/08/28/13/556082813.db2.gz BPBOCWAIBJTVPC-UHFFFAOYSA-N 0 0 442.928 4.527 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl ZINC000006406321 556086586 /nfs/dbraw/zinc/08/65/86/556086586.db2.gz LDIJLDCZFMDPHY-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000002440948 556099984 /nfs/dbraw/zinc/09/99/84/556099984.db2.gz MASHGOOAGCBXJO-ORAYPTAESA-N 0 0 448.277 4.963 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000002626150 556114865 /nfs/dbraw/zinc/11/48/65/556114865.db2.gz RQDFWGVSHWBJRM-UHFFFAOYSA-N 0 0 435.940 4.773 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000002638447 556115344 /nfs/dbraw/zinc/11/53/44/556115344.db2.gz SAMZNMMDDUWEKD-UHFFFAOYSA-N 0 0 429.549 4.682 50 0 IJAARN COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(OC)c(OC)cc21 ZINC000002692181 556120490 /nfs/dbraw/zinc/12/04/90/556120490.db2.gz WHLQHHSRRCDTTL-UHFFFAOYSA-N 0 0 443.499 4.615 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1ccccc1C ZINC000002691078 556122079 /nfs/dbraw/zinc/12/20/79/556122079.db2.gz FDTWYHALJLIFMN-UHFFFAOYSA-N 0 0 433.529 4.590 50 0 IJAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002712959 556122465 /nfs/dbraw/zinc/12/24/65/556122465.db2.gz YNRIHMYNNGDWCY-UHFFFAOYSA-N 0 0 435.476 4.836 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3cc(C)ccc3C)c3ccc(F)cc3c2=O)cc1 ZINC000002712937 556122470 /nfs/dbraw/zinc/12/24/70/556122470.db2.gz PJTACHDJYBQPJX-UHFFFAOYSA-N 0 0 435.520 4.947 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002704177 556123219 /nfs/dbraw/zinc/12/32/19/556123219.db2.gz KRCYBZDGDXVODJ-XMMPIXPASA-N 0 0 441.483 4.869 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704091 556123272 /nfs/dbraw/zinc/12/32/72/556123272.db2.gz MDKIKCFVLXVVIW-HSZRJFAPSA-N 0 0 443.430 4.715 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704585 556123867 /nfs/dbraw/zinc/12/38/67/556123867.db2.gz KUDNVIXJMHPQGR-XMMPIXPASA-N 0 0 441.483 4.951 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccc(OC)c4)C32)c1 ZINC000002707356 556124193 /nfs/dbraw/zinc/12/41/93/556124193.db2.gz DUFYQJXIGFIUOO-JWQCQUIFSA-N 0 0 438.487 4.855 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Cl)cc2)CCS3)cc1 ZINC000002719800 556125986 /nfs/dbraw/zinc/12/59/86/556125986.db2.gz NSQPSRYPMQKANI-UHFFFAOYSA-N 0 0 443.981 4.573 50 0 IJAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc(Cl)cc2)CCS3)cc1 ZINC000002719879 556126237 /nfs/dbraw/zinc/12/62/37/556126237.db2.gz HKLUVFUUYCVZRH-UHFFFAOYSA-N 0 0 444.965 4.518 50 0 IJAARN Cc1ccc(CN2CCc3c(OCC(=O)Nc4cc(C)ccc4C)cccc3C2=O)cc1 ZINC000002716422 556130743 /nfs/dbraw/zinc/13/07/43/556130743.db2.gz AJICENLOWSVHPL-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 aggregator IJAARN Cc1ccc(-n2ncc3c2nc(SCc2ccc(Br)cc2)[nH]c3=O)cc1C ZINC000002718017 556131338 /nfs/dbraw/zinc/13/13/38/556131338.db2.gz MWOZRQIVVYCDMY-UHFFFAOYSA-N 0 0 441.354 4.780 50 0 IJAARN O=c1c2c(nc(SCc3ccc(Br)cc3)n1-c1ccccc1)CCS2 ZINC000002719725 556131980 /nfs/dbraw/zinc/13/19/80/556131980.db2.gz GSMXNXFKBNFASW-UHFFFAOYSA-N 0 0 431.380 4.936 50 0 IJAARN Cn1ncc2c3nc(-c4cccc(COc5ccc(Cl)cc5Cl)c4)nn3cnc21 ZINC000002800421 556142437 /nfs/dbraw/zinc/14/24/37/556142437.db2.gz ZGBWCSPDAYUYRK-UHFFFAOYSA-N 0 0 425.279 4.564 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000002805272 556143262 /nfs/dbraw/zinc/14/32/62/556143262.db2.gz GOWVYKAKPCBECB-UHFFFAOYSA-N 0 0 440.308 4.635 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000002795607 556145548 /nfs/dbraw/zinc/14/55/48/556145548.db2.gz SADNBBHRAJENGH-HNNXBMFYSA-N 0 0 441.457 4.883 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)o1)CCCCC2 ZINC000002809416 556146945 /nfs/dbraw/zinc/14/69/45/556146945.db2.gz CGSQZXGBIVSAFG-UHFFFAOYSA-N 0 0 447.538 4.568 50 0 IJAARN COc1cc(Cl)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1OC ZINC000010592736 556150349 /nfs/dbraw/zinc/15/03/49/556150349.db2.gz CUFRJUSCLWKJTG-UHFFFAOYSA-N 0 0 438.915 4.741 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000003007336 556156728 /nfs/dbraw/zinc/15/67/28/556156728.db2.gz JDSLJHXFQGJISL-UHFFFAOYSA-N 0 0 433.942 4.766 50 0 IJAARN CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccccn1)c1ccccc1 ZINC000008398242 556164731 /nfs/dbraw/zinc/16/47/31/556164731.db2.gz GHWGHCLMSYZNHS-FCQUAONHSA-N 0 0 431.561 4.841 50 0 IJAARN O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1Cc1ccc(F)cc1 ZINC000008399575 556165273 /nfs/dbraw/zinc/16/52/73/556165273.db2.gz CEMQLQRUDHRPDM-SOFYXZRVSA-N 0 0 436.258 4.553 50 0 IJAARN Cc1cccc(COc2ccc(Cl)cc2/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000008426250 556168783 /nfs/dbraw/zinc/16/87/83/556168783.db2.gz IXPUVWGFJSBKII-XKZIYDEJSA-N 0 0 432.932 4.998 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 ZINC000008432840 556172098 /nfs/dbraw/zinc/17/20/98/556172098.db2.gz PCKUDCUEOBAMNL-UHFFFAOYSA-N 0 0 448.585 4.547 50 0 IJAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl ZINC000008440238 556176092 /nfs/dbraw/zinc/17/60/92/556176092.db2.gz AODKWGZBOYZKPF-HNNXBMFYSA-N 0 0 438.808 4.568 50 0 IJAARN Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c(Br)c1 ZINC000008442338 556177346 /nfs/dbraw/zinc/17/73/46/556177346.db2.gz NXUMTYFIINESJP-ODLFYWEKSA-N 0 0 437.318 4.788 50 0 IJAARN Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008442695 556177393 /nfs/dbraw/zinc/17/73/93/556177393.db2.gz MNRPPDBXVWILNO-UHFFFAOYSA-N 0 0 445.357 4.838 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000003056920 556180435 /nfs/dbraw/zinc/18/04/35/556180435.db2.gz MMVWXRFWMPJJGK-QGZVFWFLSA-N 0 0 445.968 4.799 50 0 IJAARN COc1ccc(-c2c3c(nc4c2CCCC4)sc2c3nnn(-c3ccccc3)c2=O)cc1 ZINC000008450786 556181557 /nfs/dbraw/zinc/18/15/57/556181557.db2.gz CFSHJCUSPMDHPE-UHFFFAOYSA-N 0 0 440.528 4.945 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000008453377 556184390 /nfs/dbraw/zinc/18/43/90/556184390.db2.gz GKJWYULRCHAYTN-GHMZBOCLSA-N 0 0 443.135 4.671 50 0 IJAARN COC(=O)C(C=Nc1ccc(Sc2ccc(Cl)cc2)nc1)NC(=O)c1ccccc1 ZINC000008629524 556194174 /nfs/dbraw/zinc/19/41/74/556194174.db2.gz NXPGDYHHZIZXCS-XMHGGMMESA-N 0 0 439.924 4.743 50 0 IJAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)cc2C1=O ZINC000008721816 556203018 /nfs/dbraw/zinc/20/30/18/556203018.db2.gz VTPKHBPXGWPLEV-UHFFFAOYSA-N 0 0 444.487 4.672 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 ZINC000008767576 556212588 /nfs/dbraw/zinc/21/25/88/556212588.db2.gz DFRSWSNXVVKLKR-UHFFFAOYSA-N 0 0 437.297 4.752 50 0 IJAARN COC(=O)c1c(NC(=O)COc2ccc(Br)c(C)c2)sc2c1CCCC2 ZINC000008816348 556217383 /nfs/dbraw/zinc/21/73/83/556217383.db2.gz VSOPJZFKCJTIFH-UHFFFAOYSA-N 0 0 438.343 4.502 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000008923061 556233733 /nfs/dbraw/zinc/23/37/33/556233733.db2.gz WQQVKFPICOCJQL-SANMLTNESA-N 0 0 449.934 4.789 50 0 IJAARN CCc1nnc2sc(-c3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3)nn12 ZINC000009190253 556252981 /nfs/dbraw/zinc/25/29/81/556252981.db2.gz GLMGGOGPAPSYRV-UHFFFAOYSA-N 0 0 435.553 4.865 50 0 IJAARN Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)c1 ZINC000009199452 556257158 /nfs/dbraw/zinc/25/71/58/556257158.db2.gz XQFHSYVYNXVLNI-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1C ZINC000009225672 556259536 /nfs/dbraw/zinc/25/95/36/556259536.db2.gz YHINALXBICBJIE-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000009237734 556264379 /nfs/dbraw/zinc/26/43/79/556264379.db2.gz PXTFBPIPZWWEHT-UHFFFAOYSA-N 0 0 444.541 4.726 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239293 556265770 /nfs/dbraw/zinc/26/57/70/556265770.db2.gz ZKFRGWGNDACESA-QZTJIDSGSA-N 0 0 447.486 4.566 50 0 IJAARN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCc1ccccc1 ZINC000009260530 556268392 /nfs/dbraw/zinc/26/83/92/556268392.db2.gz DTYJNHKSPMXGNV-FYJGNVAPSA-N 0 0 432.451 4.506 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009295108 556274888 /nfs/dbraw/zinc/27/48/88/556274888.db2.gz PFUZHFMVSQFOJD-WOJBJXKFSA-N 0 0 441.988 4.844 50 0 IJAARN CCOc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3OCC)NC2=S)cc1 ZINC000009295887 556275151 /nfs/dbraw/zinc/27/51/51/556275151.db2.gz USKFPDBNIADPTE-ATVHPVEESA-N 0 0 447.354 4.509 50 0 IJAARN COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)Nc2ccc(C)cc2)ccc1C ZINC000009304827 556276565 /nfs/dbraw/zinc/27/65/65/556276565.db2.gz SDPKAJZZZDBWFS-DEOSSOPVSA-N 0 0 443.572 4.881 50 0 IJAARN FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000013686491 556276674 /nfs/dbraw/zinc/27/66/74/556276674.db2.gz UHPHHCWTLGAMAT-HNNXBMFYSA-N 0 0 435.943 4.632 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009309469 556278525 /nfs/dbraw/zinc/27/85/25/556278525.db2.gz HAPRXKAFVZKESD-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccc(F)cc34)s2)cc1OC ZINC000013736594 556297728 /nfs/dbraw/zinc/29/77/28/556297728.db2.gz MQKRYTILPZJVPA-UHFFFAOYSA-N 0 0 439.512 4.729 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013750173 556298755 /nfs/dbraw/zinc/29/87/55/556298755.db2.gz NPFRISRZXQKFFD-DSNGMDLFSA-N 0 0 436.467 4.597 50 0 IJAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OC(C)C)cc2)s1 ZINC000013758632 556301207 /nfs/dbraw/zinc/30/12/07/556301207.db2.gz JZDXUCNGAQURGN-FQEVSTJZSA-N 0 0 447.516 4.798 50 0 IJAARN CCCCN1C(=O)[C@@H]2CS[C@H](c3ccc(OC)c(COc4ccccc4F)c3)N2C1=O ZINC000013758919 556301479 /nfs/dbraw/zinc/30/14/79/556301479.db2.gz NOWUBPCUQAMEMO-PGRDOPGGSA-N 0 0 444.528 4.592 50 0 IJAARN CCCCN1C(=O)[C@@H]2CS[C@@H](c3ccc(OC)c(COc4ccccc4F)c3)N2C1=O ZINC000013758918 556301536 /nfs/dbraw/zinc/30/15/36/556301536.db2.gz NOWUBPCUQAMEMO-AVRDEDQJSA-N 0 0 444.528 4.592 50 0 IJAARN O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661628 556304656 /nfs/dbraw/zinc/30/46/56/556304656.db2.gz BHQCUSCUHVCHPA-UHFFFAOYSA-N 0 0 440.547 4.640 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000009667418 556304862 /nfs/dbraw/zinc/30/48/62/556304862.db2.gz KXOIQAOVGAJFIL-QFIPXVFZSA-N 0 0 428.532 4.756 50 0 IJAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000009668861 556305441 /nfs/dbraw/zinc/30/54/41/556305441.db2.gz UZYJMIRIYUZKBM-UHFFFAOYSA-N 0 0 431.561 4.993 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000009781285 556308935 /nfs/dbraw/zinc/30/89/35/556308935.db2.gz YPGDQDBLEGWIGR-UHFFFAOYSA-N 0 0 428.488 4.802 50 0 IJAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C[C@@H](C)O1 ZINC000013786219 556309131 /nfs/dbraw/zinc/30/91/31/556309131.db2.gz NPXSDQZKPRZKDZ-HUUCEWRRSA-N 0 0 448.997 4.928 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1F ZINC000013804500 556310899 /nfs/dbraw/zinc/31/08/99/556310899.db2.gz VRVLUQRUSDKAAA-UHFFFAOYSA-N 0 0 440.475 4.904 50 0 IJAARN COc1ccc2cc(C=C3NC(=S)NC3=O)c(Sc3ccc(Cl)cc3)nc2c1 ZINC000013809819 556311544 /nfs/dbraw/zinc/31/15/44/556311544.db2.gz DRCZRIQYDCKATF-MFOYZWKCSA-N 0 0 427.938 4.805 50 0 IJAARN COc1ccc([C@@H](C)N(C)C(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 ZINC000032752819 556313772 /nfs/dbraw/zinc/31/37/72/556313772.db2.gz HNCIJZIJNMVPFZ-CQSZACIVSA-N 0 0 428.330 4.785 50 0 IJAARN Cc1ccc(-c2nnc([C@H](C)Sc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)o2)cc1 ZINC000032752773 556313827 /nfs/dbraw/zinc/31/38/27/556313827.db2.gz WFPQFUKRMBGKSE-AWEZNQCLSA-N 0 0 430.493 4.733 50 0 IJAARN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4OC)c3)nc2c1 ZINC000009892805 556315587 /nfs/dbraw/zinc/31/55/87/556315587.db2.gz CYEVDFXIKKKNCV-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN O=C(N[C@H](C(=O)Nc1nccs1)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000009909542 556316570 /nfs/dbraw/zinc/31/65/70/556316570.db2.gz FAEAIEYQOBAISR-IYZRDUGGSA-N 0 0 429.973 4.750 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000009934286 556317865 /nfs/dbraw/zinc/31/78/65/556317865.db2.gz WUZGKWWXHRITTC-OAQYLSRUSA-N 0 0 433.533 4.677 50 0 IJAARN O=c1c2cc(Br)ccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1 ZINC000009938705 556318565 /nfs/dbraw/zinc/31/85/65/556318565.db2.gz LYZPEZJBDCSTAA-UHFFFAOYSA-N 0 0 441.712 4.617 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)c1ccc(F)c(F)c1 ZINC000013847454 556319473 /nfs/dbraw/zinc/31/94/73/556319473.db2.gz RCNPYNNHLIPYIN-UHFFFAOYSA-N 0 0 448.516 4.521 50 0 IJAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2 ZINC000010003519 556320540 /nfs/dbraw/zinc/32/05/40/556320540.db2.gz DPHOITFCGVIXBL-UHFFFAOYSA-N 0 0 433.514 4.819 50 0 IJAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000010010201 556322012 /nfs/dbraw/zinc/32/20/12/556322012.db2.gz PHWFUYGUYFZXDZ-UHFFFAOYSA-N 0 0 435.553 4.974 50 0 IJAARN Cc1cc(C)nc(Sc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)n1 ZINC000032769892 556334103 /nfs/dbraw/zinc/33/41/03/556334103.db2.gz RBHBXFIQUAGDNY-UHFFFAOYSA-N 0 0 439.342 4.650 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)CSCc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000032772757 556335638 /nfs/dbraw/zinc/33/56/38/556335638.db2.gz IVXJNFJVBRIAHF-HXUWFJFHSA-N 0 0 442.997 4.822 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)cc1 ZINC000013936361 556336206 /nfs/dbraw/zinc/33/62/06/556336206.db2.gz QTVUJRRCCGSGRF-UHFFFAOYSA-N 0 0 427.551 4.613 50 0 IJAARN CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000013943027 556340388 /nfs/dbraw/zinc/34/03/88/556340388.db2.gz HBXGCRBHHIQNDG-UHFFFAOYSA-N 0 0 436.343 4.980 50 0 IJAARN CCn1nccc1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000013960995 556348599 /nfs/dbraw/zinc/34/85/99/556348599.db2.gz OMGFLNYWGOEUQT-UHFFFAOYSA-N 0 0 440.551 4.664 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000011762520 556349448 /nfs/dbraw/zinc/34/94/48/556349448.db2.gz LCFNZEFVUODPAN-SANMLTNESA-N 0 0 436.527 4.654 50 0 IJAARN COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cccc4c(C)c(C)[nH]c43)C2)c1 ZINC000011770280 556350200 /nfs/dbraw/zinc/35/02/00/556350200.db2.gz DOLIUMZDJLISOF-HXUWFJFHSA-N 0 0 447.579 4.742 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cc3ccccc3cn2)C1 ZINC000011771951 556350597 /nfs/dbraw/zinc/35/05/97/556350597.db2.gz CBRSMAQGKDYFJC-VWLOTQADSA-N 0 0 438.474 4.541 50 0 IJAARN COc1ccccc1[C@@H]1CCCN1C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011783218 556351756 /nfs/dbraw/zinc/35/17/56/556351756.db2.gz ZHBJUIYOZJSMGG-SQJMNOBHSA-N 0 0 440.971 4.684 50 0 IJAARN COc1cc(Br)c(CC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC ZINC000014119443 556371951 /nfs/dbraw/zinc/37/19/51/556371951.db2.gz KQJXOTZDEBYADK-UHFFFAOYSA-N 0 0 428.326 4.821 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SC[C@@H]1CCCO1)O[C@H](C)C2 ZINC000014128594 556373876 /nfs/dbraw/zinc/37/38/76/556373876.db2.gz VPVUECPBQDGVFM-APWZRJJASA-N 0 0 427.566 4.610 50 0 IJAARN COc1ccc(CCC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3F)C2)cc1OC ZINC000011911977 556375252 /nfs/dbraw/zinc/37/52/52/556375252.db2.gz KWSREOSIUSCFSE-SFHVURJKSA-N 0 0 437.515 4.572 50 0 IJAARN O=C1CCCN1CCCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000014183643 556383502 /nfs/dbraw/zinc/38/35/02/556383502.db2.gz VYLGEDHYSKPIOZ-UHFFFAOYSA-N 0 0 429.549 4.845 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3ccc(F)cc3)n(C)c2=S)c1 ZINC000014185889 556385498 /nfs/dbraw/zinc/38/54/98/556385498.db2.gz NKHPGOHMLRQWSR-LJQANCHMSA-N 0 0 428.533 4.569 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(CSc3nc4ccccc4s3)n2C)c(C)[nH]1 ZINC000014196840 556388482 /nfs/dbraw/zinc/38/84/82/556388482.db2.gz QDSUVSHAMLQVQF-UHFFFAOYSA-N 0 0 429.596 4.637 50 0 IJAARN COCc1ccc(C(=O)NC[C@H]2Cc3cc(C)cc(-c4nc5ccccc5s4)c3O2)o1 ZINC000012031122 556388875 /nfs/dbraw/zinc/38/88/75/556388875.db2.gz FATYYBGGZYQDTR-QGZVFWFLSA-N 0 0 434.517 4.745 50 0 IJAARN O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)c1cccc(-c2ccccc2F)c1 ZINC000012048708 556391674 /nfs/dbraw/zinc/39/16/74/556391674.db2.gz YMGLHHVQUSQFSS-HXUWFJFHSA-N 0 0 425.463 4.683 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)CSc2ccccc2)C1)NCc1ccccc1Cl ZINC000012053540 556393095 /nfs/dbraw/zinc/39/30/95/556393095.db2.gz GVLMRPGSZSJOQX-SFHVURJKSA-N 0 0 431.001 4.767 50 0 IJAARN Cc1cnc(C)c(-c2cc3c(c(F)c2)O[C@@H](CNC(=O)C24CC5CC(CC(C5)C2)C4)C3)n1 ZINC000012055183 556393742 /nfs/dbraw/zinc/39/37/42/556393742.db2.gz JTDHOJBQNGKSBN-BSMLIHBTSA-N 0 0 435.543 4.536 50 0 IJAARN Cn1ccnc1[C@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000032809722 556394488 /nfs/dbraw/zinc/39/44/88/556394488.db2.gz DPTMEGGDAHYAAY-MRXNPFEDSA-N 0 0 429.851 4.569 50 0 IJAARN CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(CC)CC)CC2=O)cc1 ZINC000012062077 556395116 /nfs/dbraw/zinc/39/51/16/556395116.db2.gz ONFYTOQPHTUDGC-NRFANRHFSA-N 0 0 446.595 4.768 50 0 IJAARN CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCC3)CC2=O)cc1 ZINC000012062219 556395539 /nfs/dbraw/zinc/39/55/39/556395539.db2.gz GTXMUDYDALMGMQ-NRFANRHFSA-N 0 0 444.579 4.522 50 0 IJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000014228032 556395665 /nfs/dbraw/zinc/39/56/65/556395665.db2.gz DFBADUAVWAYBBH-QGZVFWFLSA-N 0 0 430.504 4.567 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)C(Cl)(Cl)Cl ZINC000012062512 556395664 /nfs/dbraw/zinc/39/56/64/556395664.db2.gz LYNZNFUZCVUVBU-PMVVWTBXSA-N 0 0 447.510 4.876 50 0 IJAARN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000014244866 556404490 /nfs/dbraw/zinc/40/44/90/556404490.db2.gz SGWCPADHARBRNT-LJQANCHMSA-N 0 0 433.501 4.532 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4cc(F)cc(F)c4)cc3)n2)cc1 ZINC000032578898 556405733 /nfs/dbraw/zinc/40/57/33/556405733.db2.gz OMUDHJYRROVYSG-UHFFFAOYSA-N 0 0 435.430 4.685 50 0 IJAARN COc1ccc(CN(C)C(=O)c2sc(COc3ccc(C)cc3)nc2C)c(OC)c1 ZINC000014247765 556407492 /nfs/dbraw/zinc/40/74/92/556407492.db2.gz KDABXDBVWAKWNX-UHFFFAOYSA-N 0 0 426.538 4.628 50 0 IJAARN O=C(Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21)c1ccc(Cl)cc1 ZINC000032597596 556408049 /nfs/dbraw/zinc/40/80/49/556408049.db2.gz IDPAFACLHAHOLN-ACJLOTCBSA-N 0 0 429.950 4.692 50 0 IJAARN Cc1ccccc1[C@@H]1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)CCS1 ZINC000219295270 556408868 /nfs/dbraw/zinc/40/88/68/556408868.db2.gz JRPCWUMNVJPLQU-NRFANRHFSA-N 0 0 444.000 4.597 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(cccc2C)s1 ZINC000032824581 556410143 /nfs/dbraw/zinc/41/01/43/556410143.db2.gz XSCGYTJQDRTKBM-OAHLLOKOSA-N 0 0 429.929 4.510 50 0 IJAARN Cc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000014361531 556414690 /nfs/dbraw/zinc/41/46/90/556414690.db2.gz XMLURUKHRIYNOA-UHFFFAOYSA-N 0 0 449.547 4.824 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000032832940 556417527 /nfs/dbraw/zinc/41/75/27/556417527.db2.gz NSRBCQFGPIWOIC-UHFFFAOYSA-N 0 0 446.525 4.880 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OCc1ccncc1 ZINC000032833917 556417943 /nfs/dbraw/zinc/41/79/43/556417943.db2.gz SZFJGTJLEMRFLM-UHFFFAOYSA-N 0 0 443.459 4.767 50 0 IJAARN Cc1cc(-c2cc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000012974018 556419918 /nfs/dbraw/zinc/41/99/18/556419918.db2.gz UPODLODZGAHWEV-UHFFFAOYSA-N 0 0 449.462 4.747 50 0 IJAARN O=C(c1cccc(I)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012974974 556420854 /nfs/dbraw/zinc/42/08/54/556420854.db2.gz DCJQWVPQNYDXJL-AWEZNQCLSA-N 0 0 448.329 4.921 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1c(C)cccc1C)CC2 ZINC000012980566 556424267 /nfs/dbraw/zinc/42/42/67/556424267.db2.gz ODBQNPHHTUECFY-MHZLTWQESA-N 0 0 430.548 4.907 50 0 IJAARN CC1CCN(Cc2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)CC1 ZINC000012981400 556424523 /nfs/dbraw/zinc/42/45/23/556424523.db2.gz DWTAOABUDBSMLO-UHFFFAOYSA-N 0 0 440.594 4.941 50 0 IJAARN C[C@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccc2c(c1)CCCC2 ZINC000014634071 556430321 /nfs/dbraw/zinc/43/03/21/556430321.db2.gz VSZQUMBEVJRVEU-SFHVURJKSA-N 0 0 433.504 4.772 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1F)CC2 ZINC000012995266 556430471 /nfs/dbraw/zinc/43/04/71/556430471.db2.gz XAJCOOADOAKICS-DEOSSOPVSA-N 0 0 440.540 4.799 50 0 IJAARN O=C(Cc1c[nH]c2ccccc12)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000012996151 556431248 /nfs/dbraw/zinc/43/12/48/556431248.db2.gz XPGBAGSQZWTCQM-UHFFFAOYSA-N 0 0 426.516 4.525 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)CSc3cc(C)c(Br)cc3C)ccc21 ZINC000012997987 556432138 /nfs/dbraw/zinc/43/21/38/556432138.db2.gz ZJSZTHSNQSCCDS-UHFFFAOYSA-N 0 0 433.371 4.706 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000013001016 556433130 /nfs/dbraw/zinc/43/31/30/556433130.db2.gz GCLQWWHGMVBEND-UHFFFAOYSA-N 0 0 431.489 4.882 50 0 IJAARN CCOc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1S(=O)(=O)N(C)C ZINC000032850727 556435974 /nfs/dbraw/zinc/43/59/74/556435974.db2.gz ODROLYMFMKXKAU-UHFFFAOYSA-N 0 0 447.601 4.511 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227905 556436325 /nfs/dbraw/zinc/43/63/25/556436325.db2.gz WQENOHZIGSADHH-GOSISDBHSA-N 0 0 447.539 4.653 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)c2oc1-c1ccccc1 ZINC000013012902 556436386 /nfs/dbraw/zinc/43/63/86/556436386.db2.gz DGEUYBUSEGHFMH-UHFFFAOYSA-N 0 0 444.462 4.618 50 0 IJAARN COc1ccccc1-n1nnnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000014728986 556436456 /nfs/dbraw/zinc/43/64/56/556436456.db2.gz VNHMQVCRASAARD-LLVKDONJSA-N 0 0 448.430 4.593 50 0 IJAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000059785591 556439709 /nfs/dbraw/zinc/43/97/09/556439709.db2.gz SMKZMACUTRZFGL-UHFFFAOYSA-N 0 0 435.423 4.653 50 0 IJAARN O=c1/c(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccco3)nn12 ZINC000028166530 556444346 /nfs/dbraw/zinc/44/43/46/556444346.db2.gz BOJUIDWAZXCTHY-CXUHLZMHSA-N 0 0 430.272 4.526 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000028231785 556446524 /nfs/dbraw/zinc/44/65/24/556446524.db2.gz OTXBLKVUSSTNRT-OAHLLOKOSA-N 0 0 449.931 4.672 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028231789 556446582 /nfs/dbraw/zinc/44/65/82/556446582.db2.gz OTXBLKVUSSTNRT-HNNXBMFYSA-N 0 0 449.931 4.672 50 0 IJAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1Cl ZINC000028288918 556448536 /nfs/dbraw/zinc/44/85/36/556448536.db2.gz WRVFVTICMALBBJ-IBGZPJMESA-N 0 0 445.346 4.975 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000032868680 556449172 /nfs/dbraw/zinc/44/91/72/556449172.db2.gz DPXXNEWKODZGRB-HNNXBMFYSA-N 0 0 444.516 4.746 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032868939 556449585 /nfs/dbraw/zinc/44/95/85/556449585.db2.gz GBHCNUPEBUBAEQ-UHFFFAOYSA-N 0 0 436.437 4.942 50 0 IJAARN COc1ccc(F)cc1C(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000014846172 556449591 /nfs/dbraw/zinc/44/95/91/556449591.db2.gz ILZWVAMWYUAAOC-UHFFFAOYSA-N 0 0 427.497 4.973 50 0 IJAARN COc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 ZINC000028402957 556453341 /nfs/dbraw/zinc/45/33/41/556453341.db2.gz DXNGBZNGHRCRIB-UHFFFAOYSA-N 0 0 448.317 4.931 50 0 IJAARN O=C(Nc1cccc(O)c1)c1nc(SCc2ccccc2F)ncc1Br ZINC000028580708 556456723 /nfs/dbraw/zinc/45/67/23/556456723.db2.gz BEJZSAHVJYSSNC-UHFFFAOYSA-N 0 0 434.290 4.628 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)cc1 ZINC000072276831 556457036 /nfs/dbraw/zinc/45/70/36/556457036.db2.gz GIYDVQGWVHXKOH-UHFFFAOYSA-N 0 0 429.289 4.834 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccc(C)cc2)c1 ZINC000013098764 556459444 /nfs/dbraw/zinc/45/94/44/556459444.db2.gz XVSAYTIWXJUWJJ-UHFFFAOYSA-N 0 0 444.560 4.660 50 0 IJAARN C[C@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1cc(F)c(Cl)cc1Cl ZINC000013102057 556460735 /nfs/dbraw/zinc/46/07/35/556460735.db2.gz VZQFCGMRLNCSBY-VIFPVBQESA-N 0 0 445.119 4.754 50 0 IJAARN CCOC(=O)[C@H](Sc1nnc([C@@H](CC)N(C)C)n1Cc1ccccc1)c1ccccc1 ZINC000013102245 556461013 /nfs/dbraw/zinc/46/10/13/556461013.db2.gz BCAOUZJSSSBWNY-NHCUHLMSSA-N 0 0 438.597 4.736 50 0 IJAARN CCOC(=O)[C@H](Sc1nnc([C@H](CC)N(C)C)n1Cc1ccccc1)c1ccccc1 ZINC000013102247 556461070 /nfs/dbraw/zinc/46/10/70/556461070.db2.gz BCAOUZJSSSBWNY-LEWJYISDSA-N 0 0 438.597 4.736 50 0 IJAARN Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)no1 ZINC000014956743 556462396 /nfs/dbraw/zinc/46/23/96/556462396.db2.gz AGFBUZZYRGCGPJ-HXUWFJFHSA-N 0 0 439.519 4.830 50 0 IJAARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000014958190 556463035 /nfs/dbraw/zinc/46/30/35/556463035.db2.gz VYZZCIMXMREIOD-KAYWLYCHSA-N 0 0 436.571 4.624 50 0 IJAARN O=C(CSc1nnc2n1CCCCC2)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000013110085 556464235 /nfs/dbraw/zinc/46/42/35/556464235.db2.gz ULLCDDPBDAOXRX-OAHLLOKOSA-N 0 0 443.623 4.598 50 0 IJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N1CCc2ccccc21 ZINC000013113178 556466130 /nfs/dbraw/zinc/46/61/30/556466130.db2.gz VBAJKQYGXHQACM-OAHLLOKOSA-N 0 0 429.549 4.831 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000013113013 556466151 /nfs/dbraw/zinc/46/61/51/556466151.db2.gz SUONTCACFWLXQI-UHFFFAOYSA-N 0 0 431.941 4.928 50 0 IJAARN CCn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1-c1ccco1 ZINC000013114654 556467148 /nfs/dbraw/zinc/46/71/48/556467148.db2.gz AEZZWECYNUWQGC-QGZVFWFLSA-N 0 0 444.944 4.525 50 0 IJAARN O=C(c1cccs1)N1CC[C@H]2[C@H](CCCN2C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000014978092 556469658 /nfs/dbraw/zinc/46/96/58/556469658.db2.gz QMYRDFJUZMAJRX-APWZRJJASA-N 0 0 428.985 4.586 50 0 IJAARN O=C(CCC1CCN(C(=O)CCc2ccccc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000014979798 556470214 /nfs/dbraw/zinc/47/02/14/556470214.db2.gz CCZJFTUTBOCWFJ-UHFFFAOYSA-N 0 0 446.513 4.973 50 0 IJAARN COc1cccc(CC(=O)NC[C@H]2Cc3cc(C)cc(-c4cc(C(C)=O)ccc4F)c3O2)c1 ZINC000014990936 556475038 /nfs/dbraw/zinc/47/50/38/556475038.db2.gz BQOFUCPNUPSJPC-JOCHJYFZSA-N 0 0 447.506 4.675 50 0 IJAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013125878 556475194 /nfs/dbraw/zinc/47/51/94/556475194.db2.gz JAIPUKWXUOWJJI-UHFFFAOYSA-N 0 0 434.883 4.517 50 0 IJAARN O=C(CN1CCC([C@H](O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029477715 556476215 /nfs/dbraw/zinc/47/62/15/556476215.db2.gz COWLSYOSDAFARZ-IXCJQBJRSA-N 0 0 428.576 4.532 50 0 IJAARN O=C1c2cccc(N3CCN(Cc4ccsc4)CC3)c2C(=O)N1c1cccc(Cl)c1 ZINC000014995749 556477662 /nfs/dbraw/zinc/47/76/62/556477662.db2.gz CUHZTAVFBQASEB-UHFFFAOYSA-N 0 0 437.952 4.524 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000013128581 556477874 /nfs/dbraw/zinc/47/78/74/556477874.db2.gz LLWOEVGRWFUAOJ-GOSISDBHSA-N 0 0 436.537 4.943 50 0 IJAARN COCc1ccc(CN2CCOc3ccc([C@H](O)c4c(F)cccc4Cl)cc3C2)o1 ZINC000014997606 556478764 /nfs/dbraw/zinc/47/87/64/556478764.db2.gz OYQQKFNORHDOPV-QHCPKHFHSA-N 0 0 431.891 4.695 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013129158 556478877 /nfs/dbraw/zinc/47/88/77/556478877.db2.gz HSQDQTWJQHBJRL-UHFFFAOYSA-N 0 0 430.485 4.780 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)cs2)cc1OC ZINC000029744401 556481227 /nfs/dbraw/zinc/48/12/27/556481227.db2.gz FOXXLOFNDOAFPY-UHFFFAOYSA-N 0 0 445.595 4.606 50 0 IJAARN CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)N(C)c3ccccc3)c2c1C ZINC000013134791 556482940 /nfs/dbraw/zinc/48/29/40/556482940.db2.gz BIGGDEYMFOTRGA-ZDUSSCGKSA-N 0 0 429.567 4.628 50 0 IJAARN Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2)cs1 ZINC000029796952 556482970 /nfs/dbraw/zinc/48/29/70/556482970.db2.gz NYFPVZBINIEJKJ-OAQYLSRUSA-N 0 0 436.533 4.779 50 0 IJAARN COCCN(CCOC)c1ccc(C)cc1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000072289519 556483775 /nfs/dbraw/zinc/48/37/75/556483775.db2.gz AZBAYRWFOAZQGM-UHFFFAOYSA-N 0 0 449.551 4.842 50 0 IJAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(SC[C@@H]3CCCCO3)oc2c1 ZINC000029904089 556486331 /nfs/dbraw/zinc/48/63/31/556486331.db2.gz DBLNQDYLNZQIEX-ZDUSSCGKSA-N 0 0 438.958 4.943 50 0 IJAARN COc1ccc2oc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)c(C)c2c1 ZINC000013147629 556488793 /nfs/dbraw/zinc/48/87/93/556488793.db2.gz ORYXEPPALLZBGQ-UHFFFAOYSA-N 0 0 427.810 4.659 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2Cc1ccc(Cl)cc1 ZINC000013147970 556489400 /nfs/dbraw/zinc/48/94/00/556489400.db2.gz VWDBYXCKXCNZQD-UHFFFAOYSA-N 0 0 428.941 4.684 50 0 IJAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1=O ZINC000013150057 556492040 /nfs/dbraw/zinc/49/20/40/556492040.db2.gz FSDLJFJLUBFQJO-HUUCEWRRSA-N 0 0 430.932 4.862 50 0 IJAARN CCCCc1nc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)c[nH]1 ZINC000015065557 556492451 /nfs/dbraw/zinc/49/24/51/556492451.db2.gz XGZNLNGDEFQOJQ-HSZRJFAPSA-N 0 0 433.556 4.933 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000030515100 556496327 /nfs/dbraw/zinc/49/63/27/556496327.db2.gz GUCLCXYTLPXGFW-UHFFFAOYSA-N 0 0 433.943 4.660 50 0 IJAARN CCN(c1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1)S(C)(=O)=O ZINC000013164797 556497248 /nfs/dbraw/zinc/49/72/48/556497248.db2.gz PJTMHIZSXPPKBO-UHFFFAOYSA-N 0 0 441.578 4.612 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000015075396 556499151 /nfs/dbraw/zinc/49/91/51/556499151.db2.gz YLLSCKYZTODXDL-UHFFFAOYSA-N 0 0 431.960 4.745 50 0 IJAARN CC1(C)Cc2nc3oc4c(ncn(Cc5ccc(Cl)cc5Cl)c4=O)c3cc2CO1 ZINC000013283125 556501751 /nfs/dbraw/zinc/50/17/51/556501751.db2.gz KQOVWBPYZUBKFO-UHFFFAOYSA-N 0 0 430.291 4.744 50 0 IJAARN COC(=O)[C@@](C)(c1ccc(Br)cc1)N(C)C(=O)c1ccccc1C(F)(F)F ZINC000072292699 556502057 /nfs/dbraw/zinc/50/20/57/556502057.db2.gz UIQHDEGOJIQQBT-GOSISDBHSA-N 0 0 444.247 4.628 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@H]4c3ccc(F)cc3)sc2c1 ZINC000015084915 556502215 /nfs/dbraw/zinc/50/22/15/556502215.db2.gz XXAILAULFVTLFC-IBGZPJMESA-N 0 0 440.525 4.713 50 0 IJAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)CC1 ZINC000004554380 556503105 /nfs/dbraw/zinc/50/31/05/556503105.db2.gz COOHTSIQAMVKBX-KRWDZBQOSA-N 0 0 425.598 4.796 50 0 IJAARN C[C@H](O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)cc1 ZINC000013387865 556503886 /nfs/dbraw/zinc/50/38/86/556503886.db2.gz ATSUDVZNGNZSAA-YXKWSERDSA-N 0 0 448.420 4.988 50 0 IJAARN O=C1N[C@@]2(CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000013395459 556504305 /nfs/dbraw/zinc/50/43/05/556504305.db2.gz UBLXJJQOWTZNHB-UHCVVMIDSA-N 0 0 426.520 4.779 50 0 IJAARN Cc1ccc(C)c(C(=O)CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 ZINC000015127692 556505485 /nfs/dbraw/zinc/50/54/85/556505485.db2.gz WVLISAPJCXPBNW-UHFFFAOYSA-N 0 0 434.609 4.904 50 0 IJAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000032879846 556507540 /nfs/dbraw/zinc/50/75/40/556507540.db2.gz BKWLOMHAECWIBK-UHFFFAOYSA-N 0 0 431.608 4.871 50 0 IJAARN CCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1OC ZINC000013494715 556508848 /nfs/dbraw/zinc/50/88/48/556508848.db2.gz OGYXWMLWTQXHLX-UHFFFAOYSA-N 0 0 435.402 4.734 50 0 IJAARN O=C(c1cc2c(s1)CCCC2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032882718 556509354 /nfs/dbraw/zinc/50/93/54/556509354.db2.gz UTCISMIGJFLBDP-UHFFFAOYSA-N 0 0 429.545 4.706 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000013522854 556512143 /nfs/dbraw/zinc/51/21/43/556512143.db2.gz VGBRODJKNJDXLD-SANMLTNESA-N 0 0 440.587 4.995 50 0 IJAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000015240024 556513378 /nfs/dbraw/zinc/51/33/78/556513378.db2.gz LHVLNIZSXCBFGB-UHFFFAOYSA-N 0 0 448.335 4.921 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC ZINC000032895193 556514916 /nfs/dbraw/zinc/51/49/16/556514916.db2.gz UJRGZGLQZRKFRX-OAQYLSRUSA-N 0 0 435.520 4.723 50 0 IJAARN O=C(NCc1coc(-c2ccccc2)n1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000072295431 556519940 /nfs/dbraw/zinc/51/99/40/556519940.db2.gz NJJOALSCEMRFRJ-UHFFFAOYSA-N 0 0 427.489 4.581 50 0 IJAARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000003100933 556521318 /nfs/dbraw/zinc/52/13/18/556521318.db2.gz WBEHYWOLRMMKAK-JOCHJYFZSA-N 0 0 440.565 4.532 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)cc1 ZINC000032894219 556521514 /nfs/dbraw/zinc/52/15/14/556521514.db2.gz UNUGUPYMLZMPOD-UHFFFAOYSA-N 0 0 431.517 4.621 50 0 IJAARN Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccco1 ZINC000013573596 556524086 /nfs/dbraw/zinc/52/40/86/556524086.db2.gz JKEVFVJHGYDXNW-NRFANRHFSA-N 0 0 426.432 4.596 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H](O)c1ccccc1)occ3C(C)(C)C ZINC000013574890 556525083 /nfs/dbraw/zinc/52/50/83/556525083.db2.gz YPWVVBAZBLAFGC-QFIPXVFZSA-N 0 0 447.531 4.928 50 0 IJAARN COc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](/C(C)=C/c3ccccc3)C2=O)c(OC)c1 ZINC000015412656 556525436 /nfs/dbraw/zinc/52/54/36/556525436.db2.gz JQJNQGHBFCGMMT-DXCHCPKQSA-N 0 0 442.515 4.556 50 0 IJAARN COc1cc2c(cc1NC(=O)Cn1nnc(-c3ccc(Cl)cc3)n1)oc1ccccc12 ZINC000015572390 556535656 /nfs/dbraw/zinc/53/56/56/556535656.db2.gz GPPKOSKGXIIPKQ-UHFFFAOYSA-N 0 0 433.855 4.540 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)N1CCc2ccccc2C1 ZINC000013625387 556537139 /nfs/dbraw/zinc/53/71/39/556537139.db2.gz KQHMTXHMECGESC-QUCCMNQESA-N 0 0 426.442 4.742 50 0 IJAARN COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000097898297 556541834 /nfs/dbraw/zinc/54/18/34/556541834.db2.gz WIUVJGJFVMCJCU-WCTVFOPTSA-N 0 0 443.503 4.739 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cc3c(C)noc3C)o1)CCCC2 ZINC000013640987 556542113 /nfs/dbraw/zinc/54/21/13/556542113.db2.gz NDDICZQZLAFYHT-UHFFFAOYSA-N 0 0 428.510 4.845 50 0 IJAARN Cc1cc(C(=O)Nc2nc3ccccc3s2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641388 556542568 /nfs/dbraw/zinc/54/25/68/556542568.db2.gz BLHQAJKSCDZCQO-UHFFFAOYSA-N 0 0 430.445 4.789 50 0 IJAARN O[C@@]1(C(F)F)CC(c2ccccc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013642925 556543033 /nfs/dbraw/zinc/54/30/33/556543033.db2.gz NXGNWPZRDOXDLU-GOSISDBHSA-N 0 0 440.397 4.792 50 0 IJAARN Cc1nc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)nn1-c1ccc(F)cc1 ZINC000032904212 556543734 /nfs/dbraw/zinc/54/37/34/556543734.db2.gz DYLVFLFIFMAPDS-UHFFFAOYSA-N 0 0 430.443 4.611 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(C(=O)OCC)c3)cc2s1 ZINC000032959390 556547415 /nfs/dbraw/zinc/54/74/15/556547415.db2.gz JELADNXKAANWGB-UHFFFAOYSA-N 0 0 439.537 4.783 50 0 IJAARN O=C(CN1CCCC1=O)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000032727282 556548459 /nfs/dbraw/zinc/54/84/59/556548459.db2.gz DJVOGJWAJVHKER-QHCPKHFHSA-N 0 0 437.543 4.705 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1 ZINC000032905095 556550199 /nfs/dbraw/zinc/55/01/99/556550199.db2.gz PYHBSJLDCFKPGP-DEOSSOPVSA-N 0 0 445.563 4.830 50 0 IJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1cc(Br)cs1)C2 ZINC000015778863 556550934 /nfs/dbraw/zinc/55/09/34/556550934.db2.gz AIGVJXMKCCIKBD-UHFFFAOYSA-N 0 0 431.359 4.611 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(=O)CC)c1ccc(Cl)cc1-2 ZINC000032998072 556552251 /nfs/dbraw/zinc/55/22/51/556552251.db2.gz FQEAEMBBXOCMRL-IBGZPJMESA-N 0 0 427.917 4.533 50 0 IJAARN CCCNC(=O)[C@H](C)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000033115173 556554693 /nfs/dbraw/zinc/55/46/93/556554693.db2.gz WYNMDHVGUIIUPX-HXUWFJFHSA-N 0 0 444.579 4.554 50 0 IJAARN O=C(NCC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033115519 556555511 /nfs/dbraw/zinc/55/55/11/556555511.db2.gz RXLZJVFTZRFXCL-UHFFFAOYSA-N 0 0 447.000 4.869 50 0 IJAARN CC(=O)c1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)cc1 ZINC000033266333 556557705 /nfs/dbraw/zinc/55/77/05/556557705.db2.gz QXQBMJYQOYQOSN-UHFFFAOYSA-N 0 0 431.927 4.579 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000072306549 556558029 /nfs/dbraw/zinc/55/80/29/556558029.db2.gz ZXYJLBCWPBEIGU-UHFFFAOYSA-N 0 0 428.471 4.625 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290502 556559667 /nfs/dbraw/zinc/55/96/67/556559667.db2.gz COGLKPOQEHZNSU-IBGZPJMESA-N 0 0 444.535 4.698 50 0 IJAARN CN(c1cc(C(F)(F)F)nc(-c2ccncc2)n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072307687 556562580 /nfs/dbraw/zinc/56/25/80/556562580.db2.gz MRUJKEGUGQYEBJ-FQEVSTJZSA-N 0 0 442.420 4.656 50 0 IJAARN CSc1cccc(NC(=S)N2CCN3C(=O)c4ccccc4[C@@]23c2ccccc2)c1 ZINC000033383926 556563340 /nfs/dbraw/zinc/56/33/40/556563340.db2.gz GLIOSARLPUBVCA-XMMPIXPASA-N 0 0 431.586 4.778 50 0 IJAARN Cc1ncsc1C(=O)N1C[C@H](C(C)C)N(C(=O)c2scnc2C)c2ccccc21 ZINC000072307940 556563363 /nfs/dbraw/zinc/56/33/63/556563363.db2.gz YNJBHPXZFAXRME-QGZVFWFLSA-N 0 0 426.567 4.548 50 0 IJAARN CCO[C@@H](C)c1noc(CN2CCC[C@@H]2c2nc(-c3ccccc3C(F)(F)F)c[nH]2)n1 ZINC000072308671 556565975 /nfs/dbraw/zinc/56/59/75/556565975.db2.gz RVKRKRSPEZAAIH-SUMWQHHRSA-N 0 0 435.450 4.913 50 0 IJAARN COc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)no2)cc1 ZINC000032908882 556566339 /nfs/dbraw/zinc/56/63/39/556566339.db2.gz VDIIVCUHWPPLMX-UHFFFAOYSA-N 0 0 425.539 4.616 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)/C=C/c2ccccc2)cc1 ZINC000015945302 556566854 /nfs/dbraw/zinc/56/68/54/556566854.db2.gz GZMYLFGQGJSTDD-OWCMYSEVSA-N 0 0 440.499 4.673 50 0 IJAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CCC[C@@H](C)C2)CCC3)cc1 ZINC000015946029 556567033 /nfs/dbraw/zinc/56/70/33/556567033.db2.gz IRBKKNKWSQXHHA-MRXNPFEDSA-N 0 0 441.597 4.558 50 0 IJAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000015975026 556570276 /nfs/dbraw/zinc/57/02/76/556570276.db2.gz UJQSIGFUNRVWII-OAHLLOKOSA-N 0 0 440.953 4.676 50 0 IJAARN Cc1cc(C)cc(NC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)c1 ZINC000032961398 556572102 /nfs/dbraw/zinc/57/21/02/556572102.db2.gz CYPSAOZUPDUVBT-UHFFFAOYSA-N 0 0 425.554 4.795 50 0 IJAARN CCCCCCNC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 ZINC000072309752 556573141 /nfs/dbraw/zinc/57/31/41/556573141.db2.gz MVQVYGMFDBTZPY-UHFFFAOYSA-N 0 0 438.391 4.907 50 0 IJAARN O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1ccnc(N2CCCCC2)n1 ZINC000072310805 556577023 /nfs/dbraw/zinc/57/70/23/556577023.db2.gz SSSDUDIOTCFGNQ-HNNXBMFYSA-N 0 0 433.352 4.946 50 0 IJAARN CCOc1ccccc1N1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O ZINC000016044709 556578950 /nfs/dbraw/zinc/57/89/50/556578950.db2.gz GRFCKCXWOCGDNG-QHCPKHFHSA-N 0 0 442.559 4.777 50 0 IJAARN O=C(Cc1ccc(Br)cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000016044619 556579006 /nfs/dbraw/zinc/57/90/06/556579006.db2.gz JYKARCPOYUTUAL-NRFANRHFSA-N 0 0 434.337 4.968 50 0 IJAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CSc1cc(Cl)ccc1Cl ZINC000016048322 556580822 /nfs/dbraw/zinc/58/08/22/556580822.db2.gz IYDBBTCIENPDSA-UHFFFAOYSA-N 0 0 444.409 4.906 50 0 IJAARN COc1ccc2[nH]cc(C(=O)[C@@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000034688807 556580873 /nfs/dbraw/zinc/58/08/73/556580873.db2.gz OJINZPAHBICLPA-OAHLLOKOSA-N 0 0 431.458 4.589 50 0 IJAARN COc1ccc2[nH]cc(C(=O)[C@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000034688806 556580926 /nfs/dbraw/zinc/58/09/26/556580926.db2.gz OJINZPAHBICLPA-HNNXBMFYSA-N 0 0 431.458 4.589 50 0 IJAARN O=C(NCc1ccccc1F)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709686 556581169 /nfs/dbraw/zinc/58/11/69/556581169.db2.gz UDZWPUMIMNTKJB-YADHBBJMSA-N 0 0 434.486 4.527 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2cccc(F)c2)[C@@H](C)C1 ZINC000034812956 556583098 /nfs/dbraw/zinc/58/30/98/556583098.db2.gz UCFVWTJATASTOT-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cc2c(s1)CCC2 ZINC000034877986 556585330 /nfs/dbraw/zinc/58/53/30/556585330.db2.gz QZJQJUFLAFJKIC-UHFFFAOYSA-N 0 0 448.953 4.649 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccnc2Sc2ccc(C)cc2C)cc1 ZINC000032966640 556587191 /nfs/dbraw/zinc/58/71/91/556587191.db2.gz XEBSSZMTJPWISZ-UHFFFAOYSA-N 0 0 435.549 4.569 50 0 IJAARN O=C(Cc1csc2ccccc12)N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000032971521 556589377 /nfs/dbraw/zinc/58/93/77/556589377.db2.gz RIIJOTLCPYXBAJ-UHFFFAOYSA-N 0 0 431.920 4.613 50 0 IJAARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cccc(Cl)c1Cl ZINC000016247270 556594065 /nfs/dbraw/zinc/59/40/65/556594065.db2.gz HSWLLVBKQVRVSD-UHFFFAOYSA-N 0 0 432.303 4.707 50 0 IJAARN O=C1N[C@@]2(CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000036380300 556597745 /nfs/dbraw/zinc/59/77/45/556597745.db2.gz UBLXJJQOWTZNHB-GWZVJQKXSA-N 0 0 426.520 4.779 50 0 IJAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC)[C@H](c1cccc(F)c1)c1cccn1-2 ZINC000032977718 556600611 /nfs/dbraw/zinc/60/06/11/556600611.db2.gz QXJQYJYZDFBZES-HSZRJFAPSA-N 0 0 429.499 4.609 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 ZINC000032977872 556600623 /nfs/dbraw/zinc/60/06/23/556600623.db2.gz MQXIZNQEVRDZJM-HHHXNRCGSA-N 0 0 431.580 4.720 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037357326 556602079 /nfs/dbraw/zinc/60/20/79/556602079.db2.gz LAWVZBKOTHYNKD-OAHLLOKOSA-N 0 0 432.927 4.679 50 0 IJAARN Cn1c(/C=C/c2cccc3ccccc23)nc2ccc(I)cc2c1=O ZINC000016361616 556602671 /nfs/dbraw/zinc/60/26/71/556602671.db2.gz MYMRSOWVHBBHJO-FMIVXFBMSA-N 0 0 438.268 4.862 50 0 IJAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccccc3Cl)cc2NC1=O ZINC000032983667 556603625 /nfs/dbraw/zinc/60/36/25/556603625.db2.gz QNXXYRPSIIBYAQ-XKZIYDEJSA-N 0 0 434.879 4.651 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1oncc1-c1ccc(Cl)cc1 ZINC000032984881 556604755 /nfs/dbraw/zinc/60/47/55/556604755.db2.gz OEXZVGDQVZOQDV-UHFFFAOYSA-N 0 0 438.896 4.888 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@@H]1C ZINC000037623576 556605270 /nfs/dbraw/zinc/60/52/70/556605270.db2.gz OFMRYVGAPLYNKU-RBUKOAKNSA-N 0 0 426.561 4.531 50 0 IJAARN CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n2c3ccccc3oc12 ZINC000013495560 556610188 /nfs/dbraw/zinc/61/01/88/556610188.db2.gz BEFQMCOJSVVJQD-UHFFFAOYSA-N 0 0 432.476 4.772 50 0 IJAARN CC(C)[C@@H](NC(=O)CCCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032995304 556610474 /nfs/dbraw/zinc/61/04/74/556610474.db2.gz YWIGKBGIYTUJHP-LJQANCHMSA-N 0 0 428.583 4.688 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016479558 556611361 /nfs/dbraw/zinc/61/13/61/556611361.db2.gz RWRIOKZHOVUKMQ-UHFFFAOYSA-N 0 0 449.359 4.823 50 0 IJAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1N1CCc2sccc2C1 ZINC000032915677 556612963 /nfs/dbraw/zinc/61/29/63/556612963.db2.gz XETLYRKMIIJSCT-UHFFFAOYSA-N 0 0 436.562 4.994 50 0 IJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4cccc(Cl)c4)no3)C2=O)cc1 ZINC000016619220 556618268 /nfs/dbraw/zinc/61/82/68/556618268.db2.gz PVXOQERHFVFOHZ-QHCPKHFHSA-N 0 0 438.915 4.655 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)Cc2cccc(F)c2)sc2c1CC[C@@H](C)C2 ZINC000033650943 556619475 /nfs/dbraw/zinc/61/94/75/556619475.db2.gz OYFUGLAAPPJEMK-HUUCEWRRSA-N 0 0 432.561 4.648 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998802 556626329 /nfs/dbraw/zinc/62/63/29/556626329.db2.gz PYZITMNNMFBGGN-UHFFFAOYSA-N 0 0 437.540 4.975 50 0 IJAARN COc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)c1 ZINC000032998798 556626447 /nfs/dbraw/zinc/62/64/47/556626447.db2.gz YTVXAERGAVQXKO-UHFFFAOYSA-N 0 0 447.491 4.784 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)cc3)n2)cc1 ZINC000032999062 556626713 /nfs/dbraw/zinc/62/67/13/556626713.db2.gz XEJNMUQYFFYVCJ-SFHVURJKSA-N 0 0 445.544 4.646 50 0 IJAARN Cc1cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000005072412 556630726 /nfs/dbraw/zinc/63/07/26/556630726.db2.gz SQOIJTOFUWHNBE-UHFFFAOYSA-N 0 0 429.513 4.581 50 0 IJAARN COCCCn1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000016735575 556633017 /nfs/dbraw/zinc/63/30/17/556633017.db2.gz KEEPCGZEJSMDEY-CQSZACIVSA-N 0 0 448.951 4.893 50 0 IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C ZINC000016741486 556635356 /nfs/dbraw/zinc/63/53/56/556635356.db2.gz SUHFVXFJDANRMY-IBGZPJMESA-N 0 0 448.475 4.958 50 0 IJAARN COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000016749811 556636871 /nfs/dbraw/zinc/63/68/71/556636871.db2.gz SAESRMPMZBAEGZ-QHCPKHFHSA-N 0 0 435.520 4.800 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016750420 556637130 /nfs/dbraw/zinc/63/71/30/556637130.db2.gz QTYFTDVTORTBDS-AUSIDOKSSA-N 0 0 433.504 4.696 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)OCCO3)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413719 556641128 /nfs/dbraw/zinc/64/11/28/556641128.db2.gz GNIYWDDLZNDNHV-QHCPKHFHSA-N 0 0 443.503 4.843 50 0 IJAARN CSc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccccc2)cc3=O)c1 ZINC000040484429 556643666 /nfs/dbraw/zinc/64/36/66/556643666.db2.gz YUFWQCFDWACEKN-UHFFFAOYSA-N 0 0 440.528 4.677 50 0 IJAARN Cc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2cccc(Cl)c2)cc3=O)c1 ZINC000040485219 556644040 /nfs/dbraw/zinc/64/40/40/556644040.db2.gz GVHNZAPBRBAPFX-UHFFFAOYSA-N 0 0 442.906 4.917 50 0 IJAARN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NCCC(C)C)ccc3CCN2C(=O)C2CC2)c1 ZINC000037604995 556645445 /nfs/dbraw/zinc/64/54/45/556645445.db2.gz QPHVUQMZCLNUSD-RXFWQSSRSA-N 0 0 448.607 4.809 50 0 IJAARN Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000016975531 556651670 /nfs/dbraw/zinc/65/16/70/556651670.db2.gz ZKDXTCJWJKQSTQ-UHFFFAOYSA-N 0 0 438.936 4.885 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccc(-n4cccn4)cc3)cc12 ZINC000032925632 556652062 /nfs/dbraw/zinc/65/20/62/556652062.db2.gz RHVUNMHLWLNZGZ-UHFFFAOYSA-N 0 0 445.523 4.709 50 0 IJAARN O=C(CCc1nc2ccccc2s1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000011763829 556654405 /nfs/dbraw/zinc/65/44/05/556654405.db2.gz HZIXRMJPDWSDOS-UHFFFAOYSA-N 0 0 434.590 4.882 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2N1 ZINC000017045851 556654407 /nfs/dbraw/zinc/65/44/07/556654407.db2.gz JKZZFTILPCPZJV-GOSISDBHSA-N 0 0 436.899 4.515 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)c(C)c1CCC(C)C ZINC000033004603 556654675 /nfs/dbraw/zinc/65/46/75/556654675.db2.gz VAZMNMOFGJNIKX-UHFFFAOYSA-N 0 0 425.602 4.781 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000011781268 556655238 /nfs/dbraw/zinc/65/52/38/556655238.db2.gz OCFQQBLAWZIGMJ-UHFFFAOYSA-N 0 0 441.331 4.582 50 0 IJAARN COc1cc(NC(=O)Nc2cccc(Br)c2)cc2sc(NC(C)=O)nc21 ZINC000033008536 556655924 /nfs/dbraw/zinc/65/59/24/556655924.db2.gz PZNDPWWRXOGEEW-UHFFFAOYSA-N 0 0 435.303 4.670 50 0 IJAARN Cc1cc(-c2nnc(SCC(=O)N3CCC(c4nc5ccccc5o4)CC3)o2)c(C)o1 ZINC000011835547 556659656 /nfs/dbraw/zinc/65/96/56/556659656.db2.gz IAXQUNSPDBWKSP-UHFFFAOYSA-N 0 0 438.509 4.586 50 0 IJAARN O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1nc2ccc(Cl)cc2s1 ZINC000011835331 556659661 /nfs/dbraw/zinc/65/96/61/556659661.db2.gz PWSGGMHQEFJTPD-UHFFFAOYSA-N 0 0 432.914 4.823 50 0 IJAARN CCc1c(C)sc2[nH]c(=S)n(-c3c(C)nn(Cc4ccc(F)cc4)c3C)c(=O)c12 ZINC000017096078 556659737 /nfs/dbraw/zinc/65/97/37/556659737.db2.gz KKFNTZCPKIOCJK-UHFFFAOYSA-N 0 0 428.558 4.981 50 0 IJAARN COc1cccc(C[C@@H](C2CCN(C(=O)[C@H]3CC=CCC3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000011838897 556659972 /nfs/dbraw/zinc/65/99/72/556659972.db2.gz VQIKSHWPPLHZEP-ZCYQVOJMSA-N 0 0 440.628 4.706 50 0 IJAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)c12 ZINC000017096425 556660206 /nfs/dbraw/zinc/66/02/06/556660206.db2.gz BBMPTHDRLZVBFH-UHFFFAOYSA-N 0 0 429.452 4.562 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)N[C@H]4CCCc5ccccc54)C3)n2)cc1 ZINC000248077796 556661045 /nfs/dbraw/zinc/66/10/45/556661045.db2.gz IXYMJZQNQIQWEW-UPVQGACJSA-N 0 0 426.564 4.862 50 0 IJAARN COc1cccc(OCc2noc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc23)c1 ZINC000011854214 556661820 /nfs/dbraw/zinc/66/18/20/556661820.db2.gz VHVPJCSDZTXEME-UHFFFAOYSA-N 0 0 435.432 4.652 50 0 IJAARN COc1cccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1OC ZINC000011852682 556662658 /nfs/dbraw/zinc/66/26/58/556662658.db2.gz QQPYSSRVXYDNEL-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)C[C@@H]2C)cc1 ZINC000017098647 556663500 /nfs/dbraw/zinc/66/35/00/556663500.db2.gz QFLHYFAYBGTXKD-ZDUSSCGKSA-N 0 0 433.788 4.855 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(COc2cc(Cl)ccc2Cl)n1C ZINC000017101180 556665927 /nfs/dbraw/zinc/66/59/27/556665927.db2.gz CGLYFJHQTNQHJL-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 ZINC000011111708 556666417 /nfs/dbraw/zinc/66/64/17/556666417.db2.gz QGFDXQUISGIKKB-RDTXWAMCSA-N 0 0 446.956 4.639 50 0 IJAARN CC(C)(C)OC(=O)NCCCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000011867566 556667592 /nfs/dbraw/zinc/66/75/92/556667592.db2.gz LKUMIRDUMYEYOA-UHFFFAOYSA-N 0 0 435.904 4.536 50 0 IJAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OCC)cc2)no1 ZINC000046582485 556669453 /nfs/dbraw/zinc/66/94/53/556669453.db2.gz YEWKJGWULLCLMW-UHFFFAOYSA-N 0 0 436.537 4.938 50 0 IJAARN CC(C)CC(=O)N(Cc1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011914955 556674124 /nfs/dbraw/zinc/67/41/24/556674124.db2.gz BJTZIHVILZJQAB-HNNXBMFYSA-N 0 0 444.380 4.815 50 0 IJAARN CCOc1ccc(N2CCn3c(SCc4ccc(Br)cc4)nnc32)cc1 ZINC000017307779 556675052 /nfs/dbraw/zinc/67/50/52/556675052.db2.gz LUZHZMWFCBBIFN-UHFFFAOYSA-N 0 0 431.359 4.883 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c12 ZINC000011990626 556678625 /nfs/dbraw/zinc/67/86/25/556678625.db2.gz GYHJTINBRVTZGP-INIZCTEOSA-N 0 0 431.517 4.771 50 0 IJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000017780597 556679204 /nfs/dbraw/zinc/67/92/04/556679204.db2.gz JVZNVYLQQMLRIQ-UHFFFAOYSA-N 0 0 431.444 4.942 50 0 IJAARN C[C@]1(Cc2ccccc2)OC(=O)N2CCN3C(=O)O[C@](C)(Cc4ccccc4)[C@]3(C)C=C21 ZINC000252430656 556689580 /nfs/dbraw/zinc/68/95/80/556689580.db2.gz CFNIYDDQVPAUMY-UODIDJSMSA-N 0 0 432.520 4.550 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136457994 556689644 /nfs/dbraw/zinc/68/96/44/556689644.db2.gz GNQZNWLVJIDMTL-PCCBWWKXSA-N 0 0 449.304 4.500 50 0 IJAARN Cc1ccsc1CCNS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000046141295 556692449 /nfs/dbraw/zinc/69/24/49/556692449.db2.gz DHPAQLXEMICPQD-UHFFFAOYSA-N 0 0 445.591 4.664 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000046141525 556692960 /nfs/dbraw/zinc/69/29/60/556692960.db2.gz ZMNFKKHYRQVRKE-UHFFFAOYSA-N 0 0 447.488 4.530 50 0 IJAARN C[C@@H](COc1ccccc1)COc1ccccc1C=c1sc2nc3ccccc3n2c1=O ZINC000252675588 556694475 /nfs/dbraw/zinc/69/44/75/556694475.db2.gz ULNKMOKKYYFWLS-SFHVURJKSA-N 0 0 442.540 4.551 50 0 IJAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072028569 556695589 /nfs/dbraw/zinc/69/55/89/556695589.db2.gz YATVTLLTEOJVNE-QFIPXVFZSA-N 0 0 448.910 4.695 50 0 IJAARN Cc1ccccc1-c1csc2c1[nH]c(N1CCN(c3ccccc3Cl)CC1)nc2=O ZINC000048990011 556703170 /nfs/dbraw/zinc/70/31/70/556703170.db2.gz YNEMGMRECGZDDQ-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN CC(C)n1ncc(C(=O)N[C@H](C)CCc2ccc(Br)cc2)c1C(F)(F)F ZINC000060337261 556708680 /nfs/dbraw/zinc/70/86/80/556708680.db2.gz KRKLQXUQDMNIKB-GFCCVEGCSA-N 0 0 432.284 4.996 50 0 IJAARN COCCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C(F)(F)F)oc3c2C1 ZINC000013689133 556711256 /nfs/dbraw/zinc/71/12/56/556711256.db2.gz OZXZSKBLHKAKLJ-UHFFFAOYSA-N 0 0 449.425 4.676 50 0 IJAARN O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NC1CCCCCC1 ZINC000033031913 556712207 /nfs/dbraw/zinc/71/22/07/556712207.db2.gz BNYQVXYWRLTWQA-UHFFFAOYSA-N 0 0 444.373 4.636 50 0 IJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000033035888 556718610 /nfs/dbraw/zinc/71/86/10/556718610.db2.gz HKBCNLXUZHVGGM-LJQANCHMSA-N 0 0 433.474 4.544 50 0 IJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)C1 ZINC000033035935 556718624 /nfs/dbraw/zinc/71/86/24/556718624.db2.gz XOOQYMBQWNXPJR-HXUWFJFHSA-N 0 0 447.501 4.933 50 0 IJAARN Cc1occc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000013329767 556719506 /nfs/dbraw/zinc/71/95/06/556719506.db2.gz FNGMJAWYQDJLBF-UHFFFAOYSA-N 0 0 425.293 4.948 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2ccccn2)cc1 ZINC000033037229 556721887 /nfs/dbraw/zinc/72/18/87/556721887.db2.gz WRBUTCOONGGJKY-UHFFFAOYSA-N 0 0 425.492 4.762 50 0 IJAARN O=C(NCc1ccc(F)cc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038229 556724642 /nfs/dbraw/zinc/72/46/42/556724642.db2.gz XUKATGRDXFVYRA-UHFFFAOYSA-N 0 0 430.483 4.537 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000072328668 556726024 /nfs/dbraw/zinc/72/60/24/556726024.db2.gz BSEPUGXRLSTNJT-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)[nH]n2)cc1 ZINC000072331240 556730030 /nfs/dbraw/zinc/73/00/30/556730030.db2.gz JGPIGYWCUKIMEY-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN Cc1nc2ccc(C(=O)O[C@H](C)C(=O)c3ccc(NC(=O)C(C)(C)C)cc3)cc2nc1C ZINC000019298412 556734818 /nfs/dbraw/zinc/73/48/18/556734818.db2.gz OHDGJTKQIDPXRH-MRXNPFEDSA-N 0 0 433.508 4.659 50 0 IJAARN CCOc1ccccc1N1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)CC1 ZINC000055307857 556739818 /nfs/dbraw/zinc/73/98/18/556739818.db2.gz NHSQNYQKPZIZKY-UHFFFAOYSA-N 0 0 435.568 4.996 50 0 IJAARN COc1ccc(-n2cc(CNCc3nc(C)cc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000055370598 556740854 /nfs/dbraw/zinc/74/08/54/556740854.db2.gz GFUXXKCQWXSHHT-UHFFFAOYSA-N 0 0 433.943 4.898 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000096315517 556744376 /nfs/dbraw/zinc/74/43/76/556744376.db2.gz KCFYVLRBJKUWDA-UHFFFAOYSA-N 0 0 449.507 4.897 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCc3ccc4c(c3)OCO4)cc1CC2 ZINC000033049002 556745816 /nfs/dbraw/zinc/74/58/16/556745816.db2.gz HTXDWMADOONXQA-UHFFFAOYSA-N 0 0 443.528 4.667 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000057330558 556747225 /nfs/dbraw/zinc/74/72/25/556747225.db2.gz QFCQZRBQLJACFS-UHFFFAOYSA-N 0 0 447.554 4.782 50 0 IJAARN CSc1nc(C)c(CCC(=O)Nc2ncc(Cc3ccc(F)cc3F)s2)c(C)n1 ZINC000072024839 556749412 /nfs/dbraw/zinc/74/94/12/556749412.db2.gz YFWMDSJWRKAJKS-UHFFFAOYSA-N 0 0 434.537 4.712 50 0 IJAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn21 ZINC000206250868 556749506 /nfs/dbraw/zinc/74/95/06/556749506.db2.gz AHEHEHDIQCFPSX-LJQANCHMSA-N 0 0 436.947 4.527 50 0 IJAARN Cc1cccc(-n2nnnc2SCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000011153976 556755417 /nfs/dbraw/zinc/75/54/17/556755417.db2.gz MXXMIMANPXBUPM-UHFFFAOYSA-N 0 0 432.431 4.640 50 0 IJAARN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 ZINC000058079755 556756656 /nfs/dbraw/zinc/75/66/56/556756656.db2.gz NGYNUTXWDWXETD-UHFFFAOYSA-N 0 0 431.945 4.994 50 0 IJAARN COC(=O)c1csc(Br)c1-c1c(Br)scc1C(=O)OC ZINC000000984450 556761911 /nfs/dbraw/zinc/76/19/11/556761911.db2.gz VYCHHNRMAZVDCN-UHFFFAOYSA-N 0 0 440.134 4.575 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000058155803 556762459 /nfs/dbraw/zinc/76/24/59/556762459.db2.gz LJLVNIUYGIARMR-UHFFFAOYSA-N 0 0 445.450 4.859 50 0 IJAARN CCCc1nc2ccccc2c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1CC ZINC000061958011 556763161 /nfs/dbraw/zinc/76/31/61/556763161.db2.gz MHSVBLWMLAIJHE-UHFFFAOYSA-N 0 0 446.595 4.519 50 0 IJAARN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000058158467 556763265 /nfs/dbraw/zinc/76/32/65/556763265.db2.gz JNJNLESTULZCHA-LJQANCHMSA-N 0 0 449.547 4.995 50 0 IJAARN COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160614 556764661 /nfs/dbraw/zinc/76/46/61/556764661.db2.gz RELUVUUCVNJDQH-RUZDIDTESA-N 0 0 443.547 4.726 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1 ZINC000062006946 556765127 /nfs/dbraw/zinc/76/51/27/556765127.db2.gz NQCBIBQNLWQWHZ-UHFFFAOYSA-N 0 0 438.959 4.550 50 0 IJAARN COc1ccccc1C1=NN(C(C)=O)[C@H]([C@@H]2CC(c3ccsc3)=NN2c2ccccc2)C1 ZINC000206590159 556767728 /nfs/dbraw/zinc/76/77/28/556767728.db2.gz FLPXCPXXLGASFV-ZEQRLZLVSA-N 0 0 444.560 4.765 50 0 IJAARN COc1ccc([C@H](NCC(=O)Nc2cc(C)nn2-c2ccccc2)c2ccccc2)cc1 ZINC000058175420 556769130 /nfs/dbraw/zinc/76/91/30/556769130.db2.gz AUTQELFPUDCSIW-AREMUKBSSA-N 0 0 426.520 4.507 50 0 IJAARN CN(C(=O)COc1ccc(-c2ccccc2)cc1Cl)C1CCN(c2ccccn2)CC1 ZINC000058177799 556769745 /nfs/dbraw/zinc/76/97/45/556769745.db2.gz MPVIOTHZPNBCNH-UHFFFAOYSA-N 0 0 435.955 4.908 50 0 IJAARN C[C@H](NC(=O)CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1Cl ZINC000058209309 556771664 /nfs/dbraw/zinc/77/16/64/556771664.db2.gz QEBBOZLXHQHKGB-RDJZCZTQSA-N 0 0 442.922 4.586 50 0 IJAARN CC(C)c1noc(CCCNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)n1 ZINC000058307510 556779319 /nfs/dbraw/zinc/77/93/19/556779319.db2.gz AQSZNGRYQOSETR-UHFFFAOYSA-N 0 0 425.455 4.566 50 0 IJAARN CCn1c(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21 ZINC000058323657 556780626 /nfs/dbraw/zinc/78/06/26/556780626.db2.gz WJLDTEAWXIOKQP-UHFFFAOYSA-N 0 0 427.533 4.900 50 0 IJAARN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000058323740 556780644 /nfs/dbraw/zinc/78/06/44/556780644.db2.gz KKUVAYIPLKVGHQ-UHFFFAOYSA-N 0 0 426.451 4.972 50 0 IJAARN O=C(C=Cc1ccc(Br)s1)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000058356496 556782708 /nfs/dbraw/zinc/78/27/08/556782708.db2.gz QORZVMZEMDCIJP-ZZXKWVIFSA-N 0 0 440.309 4.924 50 0 IJAARN Cc1c(C(=O)NCCc2cc(F)cc3c2OCOC3)sc2nc(C(C)(C)C)nc(C)c12 ZINC000058393463 556785159 /nfs/dbraw/zinc/78/51/59/556785159.db2.gz HEDIRUBLEGHWBE-UHFFFAOYSA-N 0 0 443.544 4.584 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000058425305 556787757 /nfs/dbraw/zinc/78/77/57/556787757.db2.gz JYDSHGUYUOVYSR-NSHDSACASA-N 0 0 427.863 4.818 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c1C ZINC000002632982 556801366 /nfs/dbraw/zinc/80/13/66/556801366.db2.gz VDTVMYYGOQDSCC-UHFFFAOYSA-N 0 0 444.582 4.995 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)NCc1ccccc1 ZINC000002638806 556801641 /nfs/dbraw/zinc/80/16/41/556801641.db2.gz IQVSLFPHMBLTNA-UHFFFAOYSA-N 0 0 449.963 4.507 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003241484 556806571 /nfs/dbraw/zinc/80/65/71/556806571.db2.gz WURHQTFTDMLROY-UHFFFAOYSA-N 0 0 445.343 4.950 50 0 IJAARN CC[C@H](C(=O)N(CC)c1ccccc1)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057660 556807834 /nfs/dbraw/zinc/80/78/34/556807834.db2.gz UZJUTAFJIXBGTI-GOSISDBHSA-N 0 0 436.899 4.709 50 0 IJAARN CC(C)(C)OC(=O)NC(C)(C)c1noc(CNC(C)(C)c2cccc(C(F)(F)F)c2)n1 ZINC000060377547 556807885 /nfs/dbraw/zinc/80/78/85/556807885.db2.gz DGCMESDZGAGEMU-UHFFFAOYSA-N 0 0 442.482 4.873 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000003328565 556809133 /nfs/dbraw/zinc/80/91/33/556809133.db2.gz GQBWFEFZIHJKRK-WYMLVPIESA-N 0 0 437.499 4.906 50 0 IJAARN O=C(COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1)NCc1ccccc1Cl ZINC000003358777 556811787 /nfs/dbraw/zinc/81/17/87/556811787.db2.gz SGGBZKKCSJFTNI-UHFFFAOYSA-N 0 0 437.854 4.948 50 0 IJAARN CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000096422583 556813920 /nfs/dbraw/zinc/81/39/20/556813920.db2.gz DCLPITULUQKVLM-SANMLTNESA-N 0 0 437.584 4.528 50 0 IJAARN CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000011208732 556814119 /nfs/dbraw/zinc/81/41/19/556814119.db2.gz YWNKGFLTRWNQBP-UHFFFAOYSA-N 0 0 433.936 4.966 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C ZINC000003407063 556814624 /nfs/dbraw/zinc/81/46/24/556814624.db2.gz FOCUBQIXBIAAQA-UHFFFAOYSA-N 0 0 434.521 4.693 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000033059874 556816529 /nfs/dbraw/zinc/81/65/29/556816529.db2.gz AJOVTHULWBNSCV-UHFFFAOYSA-N 0 0 442.338 4.788 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(CCC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000033062197 556817894 /nfs/dbraw/zinc/81/78/94/556817894.db2.gz CVMCUYGJPCGCBN-UHFFFAOYSA-N 0 0 434.443 4.689 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c(C)c1 ZINC000003598419 556818123 /nfs/dbraw/zinc/81/81/23/556818123.db2.gz XQZGMLUWLXYAKC-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000005491966 556818346 /nfs/dbraw/zinc/81/83/46/556818346.db2.gz ONDIYMZNSZZVMS-UHFFFAOYSA-N 0 0 425.554 4.572 50 0 IJAARN CCn1c(COc2cccc(C)c2)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000033067696 556819484 /nfs/dbraw/zinc/81/94/84/556819484.db2.gz UKRCMPAQLIXMIA-UHFFFAOYSA-N 0 0 434.565 4.936 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(C)c4C)cc3)nc2c1 ZINC000033068023 556819766 /nfs/dbraw/zinc/81/97/66/556819766.db2.gz OOPFMICMLOZSSO-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccccc2F)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067957 556820273 /nfs/dbraw/zinc/82/02/73/556820273.db2.gz GXTLDGKQLDWIIX-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)c4cccc(Cl)c4)ccc3C)nc2c1 ZINC000033068071 556820298 /nfs/dbraw/zinc/82/02/98/556820298.db2.gz NEXIYIBDDSSQCB-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000072403080 556821277 /nfs/dbraw/zinc/82/12/77/556821277.db2.gz AMKXHOSDRCJXMI-UHFFFAOYSA-N 0 0 437.546 4.559 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450465 556823831 /nfs/dbraw/zinc/82/38/31/556823831.db2.gz KMRHEBVKQMPVNV-UHFFFAOYSA-N 0 0 425.535 4.989 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000064450482 556824247 /nfs/dbraw/zinc/82/42/47/556824247.db2.gz DRTFTQBCUAEGGJ-HNNXBMFYSA-N 0 0 439.562 4.856 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1ccccc1C ZINC000064450496 556824255 /nfs/dbraw/zinc/82/42/55/556824255.db2.gz VZOLHINYZGTDLW-UHFFFAOYSA-N 0 0 425.535 4.560 50 0 IJAARN O=C(NCc1ccccc1)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958903 556829983 /nfs/dbraw/zinc/82/99/83/556829983.db2.gz PHZMHCCJPYXOPY-IBGZPJMESA-N 0 0 445.954 4.583 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc(C(C)C)cc3)cc21 ZINC000065002879 556831278 /nfs/dbraw/zinc/83/12/78/556831278.db2.gz JBWLFJSGGNWKMZ-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4cc(C)c(C)cc4C)cc32)cc1 ZINC000065003173 556831496 /nfs/dbraw/zinc/83/14/96/556831496.db2.gz NKZLUPRMIYUOCG-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000065003626 556831707 /nfs/dbraw/zinc/83/17/07/556831707.db2.gz LSKZVKGMGFKLMG-LJQANCHMSA-N 0 0 448.588 4.880 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c12 ZINC000019631650 556832575 /nfs/dbraw/zinc/83/25/75/556832575.db2.gz OWPBAGFNMMKOOS-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(O)c3)c(NCc3ccccc3)n2c1C ZINC000065315900 556833387 /nfs/dbraw/zinc/83/33/87/556833387.db2.gz YBENCBLWWRCAAF-UHFFFAOYSA-N 0 0 437.521 4.874 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1c(C)nn(C)c1C ZINC000019637043 556835717 /nfs/dbraw/zinc/83/57/17/556835717.db2.gz FXHKNZZBCWYEMU-UHFFFAOYSA-N 0 0 442.610 4.771 50 0 IJAARN CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000019641579 556837474 /nfs/dbraw/zinc/83/74/74/556837474.db2.gz SYLZLAAKGMBXFC-UHFFFAOYSA-N 0 0 444.582 4.551 50 0 IJAARN CCOC(=O)N1CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096602443 556838123 /nfs/dbraw/zinc/83/81/23/556838123.db2.gz IYZBAXWHFTVFRC-QFIPXVFZSA-N 0 0 447.000 4.826 50 0 IJAARN CC(C)(CNC(=O)/C=C/c1ccc(Cl)cc1)CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000096603226 556838412 /nfs/dbraw/zinc/83/84/12/556838412.db2.gz VVEIXNOIRHCJCC-MFUUIURDSA-N 0 0 431.363 4.979 50 0 IJAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000019645423 556839845 /nfs/dbraw/zinc/83/98/45/556839845.db2.gz FTMMRPKEKXUQSP-UHFFFAOYSA-N 0 0 446.942 4.874 50 0 IJAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2s1 ZINC000019646874 556840688 /nfs/dbraw/zinc/84/06/88/556840688.db2.gz LLEHLEQHZHNUEW-UHFFFAOYSA-N 0 0 448.342 4.815 50 0 IJAARN O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000008780374 556846447 /nfs/dbraw/zinc/84/64/47/556846447.db2.gz JIASBVAOFWSYQK-UHFFFAOYSA-N 0 0 443.547 4.624 50 0 IJAARN COc1cccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(C)cc3)C2=O)c1 ZINC000068713036 556849182 /nfs/dbraw/zinc/84/91/82/556849182.db2.gz AARKGALSERYCIW-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1nc2ccccc2s1 ZINC000008880526 556850480 /nfs/dbraw/zinc/85/04/80/556850480.db2.gz KLDOAVKJMIPMMH-VAWYXSNFSA-N 0 0 433.455 4.816 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)n2)cc1 ZINC000008877828 556851578 /nfs/dbraw/zinc/85/15/78/556851578.db2.gz WLLDHXBPVIWSMT-QXGIVVGOSA-N 0 0 440.565 4.638 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1 ZINC000033071623 556852050 /nfs/dbraw/zinc/85/20/50/556852050.db2.gz VIGBUVGCOCOZLC-QGZVFWFLSA-N 0 0 426.948 4.536 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072708 556852251 /nfs/dbraw/zinc/85/22/51/556852251.db2.gz KMROCLBUSVSTBJ-UHFFFAOYSA-N 0 0 430.483 4.783 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)c1 ZINC000033072838 556852542 /nfs/dbraw/zinc/85/25/42/556852542.db2.gz FHVJROVHYCIGOO-UHFFFAOYSA-N 0 0 430.483 4.783 50 0 IJAARN Cc1cc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008936297 556853110 /nfs/dbraw/zinc/85/31/10/556853110.db2.gz HFHOGGMNWKHTDR-UHFFFAOYSA-N 0 0 445.471 4.558 50 0 IJAARN CSc1ccc(CCNC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc1 ZINC000033084406 556855341 /nfs/dbraw/zinc/85/53/41/556855341.db2.gz OIKMHKHXPHDROM-UHFFFAOYSA-N 0 0 440.638 4.993 50 0 IJAARN COc1cc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)cc(OC)c1 ZINC000033084347 556855380 /nfs/dbraw/zinc/85/53/80/556855380.db2.gz XKICQLMKDQWEEO-UHFFFAOYSA-N 0 0 426.542 4.568 50 0 IJAARN CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085679 556856676 /nfs/dbraw/zinc/85/66/76/556856676.db2.gz XNVHPKHGDKPANN-UHFFFAOYSA-N 0 0 448.498 4.978 50 0 IJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCCc3c(C)noc3C)c3ccccc3n2)cc1 ZINC000033106286 556858501 /nfs/dbraw/zinc/85/85/01/556858501.db2.gz DHRVOKUYGGXUMY-UHFFFAOYSA-N 0 0 442.519 4.828 50 0 IJAARN O=C(Nc1cc(F)ccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106591 556859207 /nfs/dbraw/zinc/85/92/07/556859207.db2.gz CUBDMSKIPGNGMM-UHFFFAOYSA-N 0 0 447.489 4.717 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106612 556859249 /nfs/dbraw/zinc/85/92/49/556859249.db2.gz ORUMZOQXZKBTDI-UHFFFAOYSA-N 0 0 429.499 4.578 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccc(C)cc4)C3)s2)cc1 ZINC000033113305 556859941 /nfs/dbraw/zinc/85/99/41/556859941.db2.gz KZPSNELKUQOOOF-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113485 556860332 /nfs/dbraw/zinc/86/03/32/556860332.db2.gz AMXQSKUAKNFQKQ-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN O=C(CSc1nc(N2CCc3ccccc3C2)nc2ccccc21)NC1CCCCC1 ZINC000033114777 556861458 /nfs/dbraw/zinc/86/14/58/556861458.db2.gz AYPPOMWOBURPRV-UHFFFAOYSA-N 0 0 432.593 4.734 50 0 IJAARN Cc1cc(N2CCC(C(=O)Nc3ccccc3F)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033115827 556861714 /nfs/dbraw/zinc/86/17/14/556861714.db2.gz IPKVSLFCNPJOTB-UHFFFAOYSA-N 0 0 447.489 4.838 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000033122038 556863057 /nfs/dbraw/zinc/86/30/57/556863057.db2.gz CVCUHQSQGGCTTM-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(Cl)c3)cc2n1 ZINC000033126259 556867085 /nfs/dbraw/zinc/86/70/85/556867085.db2.gz GMWIGXGOAGESDV-UHFFFAOYSA-N 0 0 436.943 4.764 50 0 IJAARN CCCCN1C(=O)CN(C2CCCCCC2)C(=O)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000004672893 556868135 /nfs/dbraw/zinc/86/81/35/556868135.db2.gz WTYNHICPDAXYRX-DEOSSOPVSA-N 0 0 430.589 4.717 50 0 IJAARN O=C(NC1CCCC1)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130058 556868289 /nfs/dbraw/zinc/86/82/89/556868289.db2.gz QRVMBQVNQGHKOB-UHFFFAOYSA-N 0 0 434.561 4.505 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131351 556871945 /nfs/dbraw/zinc/87/19/45/556871945.db2.gz ROARHOZMJLDNMG-SFHVURJKSA-N 0 0 449.016 4.656 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(C(=O)COc4ccc(Cl)cc4C)CC3)no2)cc1 ZINC000033139569 556874651 /nfs/dbraw/zinc/87/46/51/556874651.db2.gz ITKZVGSAYWWRHA-UHFFFAOYSA-N 0 0 425.916 4.792 50 0 IJAARN CCOC(=O)c1[nH]c(CN(Cc2ccc(OC)cc2)C(=O)C2CCCCC2)c(C)c1C ZINC000033140400 556876047 /nfs/dbraw/zinc/87/60/47/556876047.db2.gz JSQFZYIYHVTBSV-UHFFFAOYSA-N 0 0 426.557 4.926 50 0 IJAARN COc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142065 556877395 /nfs/dbraw/zinc/87/73/95/556877395.db2.gz FBBOOOWLKWXPFF-IBGZPJMESA-N 0 0 446.551 4.680 50 0 IJAARN COc1ccccc1CN1CCc2nc(SCc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000033141657 556878053 /nfs/dbraw/zinc/87/80/53/556878053.db2.gz KAVWUANBDHKOGS-UHFFFAOYSA-N 0 0 427.957 4.695 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000033141799 556878307 /nfs/dbraw/zinc/87/83/07/556878307.db2.gz YYHJVPVKJJGHSS-UHFFFAOYSA-N 0 0 426.563 4.623 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000033173536 556883624 /nfs/dbraw/zinc/88/36/24/556883624.db2.gz OOYRJLVZVDKTOE-UHFFFAOYSA-N 0 0 426.416 4.732 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)cc1 ZINC000033170324 556885690 /nfs/dbraw/zinc/88/56/90/556885690.db2.gz YEQFVRBPCHHBQM-KRWDZBQOSA-N 0 0 442.519 4.539 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000033170582 556886181 /nfs/dbraw/zinc/88/61/81/556886181.db2.gz GWXKMOUTVYCWKL-HJWRWDBZSA-N 0 0 439.537 4.838 50 0 IJAARN CCCCc1nc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)c[nH]1 ZINC000019742913 556887103 /nfs/dbraw/zinc/88/71/03/556887103.db2.gz TXQWDXKEEKAXAB-HSZRJFAPSA-N 0 0 434.588 4.548 50 0 IJAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccc(F)cc32)cc1 ZINC000033249319 556888983 /nfs/dbraw/zinc/88/89/83/556888983.db2.gz XZNJJCZIXVMSBG-UHFFFAOYSA-N 0 0 440.540 4.641 50 0 IJAARN CCN(CC)C(=O)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033249457 556889410 /nfs/dbraw/zinc/88/94/10/556889410.db2.gz BRGLPNGEUXFYOQ-UHFFFAOYSA-N 0 0 442.556 4.887 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1C ZINC000033254469 556890544 /nfs/dbraw/zinc/89/05/44/556890544.db2.gz HOCGMFXYUPNOIL-UHFFFAOYSA-N 0 0 444.535 4.722 50 0 IJAARN COc1ccc2[nH]c(C(=O)NCCCc3ccccc3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252541 556893182 /nfs/dbraw/zinc/89/31/82/556893182.db2.gz BSQIYBLIQVJMEB-UHFFFAOYSA-N 0 0 427.504 4.791 50 0 biogenic IJAARN CN(CCc1noc(COc2cccc(C(F)(F)F)c2)n1)C(=O)c1ccccc1Cl ZINC000033252780 556893372 /nfs/dbraw/zinc/89/33/72/556893372.db2.gz BXUCJXFIVGKZEH-UHFFFAOYSA-N 0 0 439.821 4.636 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000033258274 556895939 /nfs/dbraw/zinc/89/59/39/556895939.db2.gz WFHJKHDJZRDINS-UHFFFAOYSA-N 0 0 447.539 4.675 50 0 IJAARN CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCOCC1 ZINC000019770634 556912850 /nfs/dbraw/zinc/91/28/50/556912850.db2.gz PCCBVWDXYFAXMX-UHFFFAOYSA-N 0 0 436.624 4.519 50 0 IJAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000019800018 556917324 /nfs/dbraw/zinc/91/73/24/556917324.db2.gz YWWGWVFFLOJLAL-HNNXBMFYSA-N 0 0 440.824 4.765 50 0 IJAARN CC(C)OC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000019809910 556918493 /nfs/dbraw/zinc/91/84/93/556918493.db2.gz RUXRPDJUJRANQG-UHFFFAOYSA-N 0 0 428.282 4.943 50 0 IJAARN CCc1nn2c(nnc3c2ccn(-c2cccc(Cl)c2Cl)c3=O)c1-c1ccccc1 ZINC000019821498 556924487 /nfs/dbraw/zinc/92/44/87/556924487.db2.gz BOGNTPUJJYDRDW-UHFFFAOYSA-N 0 0 436.302 4.965 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OC)cc1 ZINC000019824410 556925683 /nfs/dbraw/zinc/92/56/83/556925683.db2.gz LZFZPILCUXQLKX-UHFFFAOYSA-N 0 0 434.521 4.829 50 0 IJAARN CCOc1ccc(CN2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000019889958 556938852 /nfs/dbraw/zinc/93/88/52/556938852.db2.gz JDAQRPQVQTWRAH-UHFFFAOYSA-N 0 0 446.591 4.991 50 0 IJAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000019913110 556943726 /nfs/dbraw/zinc/94/37/26/556943726.db2.gz NTEIGKYXAFUXTH-LTGZKZEYSA-N 0 0 433.577 4.842 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000019943563 556953913 /nfs/dbraw/zinc/95/39/13/556953913.db2.gz WGOPJMFLQXAKKA-UHFFFAOYSA-N 0 0 443.396 4.683 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000019943586 556953954 /nfs/dbraw/zinc/95/39/54/556953954.db2.gz LAIPXHRIZJIWNQ-UHFFFAOYSA-N 0 0 440.179 4.811 50 0 IJAARN COc1ccc2[nH]c(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000019944168 556954196 /nfs/dbraw/zinc/95/41/96/556954196.db2.gz AQLUGDDNIPVPIY-UHFFFAOYSA-N 0 0 425.532 4.724 50 0 IJAARN Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc4c(c3)oc(=O)cc4C(F)(F)F)C2=O)c1 ZINC000020026305 556967354 /nfs/dbraw/zinc/96/73/54/556967354.db2.gz ISCKYBUSMJHWOJ-HNNXBMFYSA-N 0 0 429.394 4.551 50 0 IJAARN COc1ccc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1OC ZINC000033263810 556972103 /nfs/dbraw/zinc/97/21/03/556972103.db2.gz DXQICJBGONHPGG-UHFFFAOYSA-N 0 0 445.523 4.636 50 0 IJAARN CC(=O)Nc1ccc(Cc2nc(-c3cc4c(C)nn(-c5ccccc5)c4s3)no2)cc1 ZINC000033264686 556974502 /nfs/dbraw/zinc/97/45/02/556974502.db2.gz ZFSPTEZHVWEUQC-UHFFFAOYSA-N 0 0 429.505 4.995 50 0 IJAARN COc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c(OC)c1 ZINC000033267882 556982383 /nfs/dbraw/zinc/98/23/83/556982383.db2.gz IWSCFAYWTJUBTN-HXUWFJFHSA-N 0 0 430.508 4.544 50 0 IJAARN C[C@H]1CC[C@H](Cc2nc(C(C)(C)S(=O)(=O)c3ccc(Br)cc3)no2)C1 ZINC000097141557 556992720 /nfs/dbraw/zinc/99/27/20/556992720.db2.gz MRFVEBXRLHTZPX-STQMWFEESA-N 0 0 427.364 4.520 50 0 IJAARN CC(C)(C)OC(=O)Nc1c2c(I)c[nH]c2ncc1C(F)(F)F ZINC000077011269 556995676 /nfs/dbraw/zinc/99/56/76/556995676.db2.gz UXLOQSWWQKSZOS-UHFFFAOYSA-N 0 0 427.164 4.533 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000020191255 556996296 /nfs/dbraw/zinc/99/62/96/556996296.db2.gz LYMYBYWUSHLSJM-IBGZPJMESA-N 0 0 426.568 4.686 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(OCCO)cc2)c1 ZINC000020233811 557001887 /nfs/dbraw/zinc/00/18/87/557001887.db2.gz RSARVIMGMMHSEJ-MHZLTWQESA-N 0 0 428.532 4.695 50 0 IJAARN CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1cccc(C)c1 ZINC000020236357 557002280 /nfs/dbraw/zinc/00/22/80/557002280.db2.gz PTYQAZRLOPEHFB-UHFFFAOYSA-N 0 0 448.523 4.627 50 0 IJAARN COc1ccc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1OC ZINC000020258887 557004138 /nfs/dbraw/zinc/00/41/38/557004138.db2.gz YSMSTYKWWHUALQ-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCc1ccccn1 ZINC000020391908 557012859 /nfs/dbraw/zinc/01/28/59/557012859.db2.gz SCCLWVPCTPJUBM-UHFFFAOYSA-N 0 0 446.580 4.698 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 ZINC000045994491 557014883 /nfs/dbraw/zinc/01/48/83/557014883.db2.gz HSMXYSBKNLYUTA-UHFFFAOYSA-N 0 0 425.488 4.591 50 0 IJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000020432118 557016481 /nfs/dbraw/zinc/01/64/81/557016481.db2.gz PXGXYYDXQDUXFU-VWLOTQADSA-N 0 0 432.520 4.715 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cc2ccccc2o1 ZINC000010681698 557017260 /nfs/dbraw/zinc/01/72/60/557017260.db2.gz IACRIBAPDDSEMI-UHFFFAOYSA-N 0 0 448.426 4.858 50 0 IJAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CSc1ccccc1-2 ZINC000010687167 557017722 /nfs/dbraw/zinc/01/77/22/557017722.db2.gz PHJNPNXMHBWNDY-UHFFFAOYSA-N 0 0 444.603 4.750 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2nnc(COc3ccc(F)cc3)o2)c2ccccc2S1 ZINC000032943388 557019226 /nfs/dbraw/zinc/01/92/26/557019226.db2.gz UWYPEDQSERFZLY-AWEZNQCLSA-N 0 0 445.541 4.797 50 0 IJAARN COc1ccc(CNC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022227 557021998 /nfs/dbraw/zinc/02/19/98/557021998.db2.gz WESJVWQMFMMMOO-UHFFFAOYSA-N 0 0 427.595 4.668 50 0 IJAARN Cc1cc(OCC(=O)NCCC(C)C)nc2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000046016532 557022866 /nfs/dbraw/zinc/02/28/66/557022866.db2.gz VBISSWPWDMQAAC-UHFFFAOYSA-N 0 0 428.536 4.937 50 0 IJAARN CC(C)(C)c1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032242 557024808 /nfs/dbraw/zinc/02/48/08/557024808.db2.gz VFWFBQIQYISXQK-UHFFFAOYSA-N 0 0 436.556 4.790 50 0 IJAARN CCCN(C(=O)c1cc(=O)c2cc(C)ccc2o1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000010806551 557028966 /nfs/dbraw/zinc/02/89/66/557028966.db2.gz XFYCBUCTZSESKL-OAHLLOKOSA-N 0 0 426.900 4.634 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1 ZINC000046058618 557029465 /nfs/dbraw/zinc/02/94/65/557029465.db2.gz BXXYZKPDQLCLRS-UHFFFAOYSA-N 0 0 440.546 4.558 50 0 IJAARN CN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000046058878 557029810 /nfs/dbraw/zinc/02/98/10/557029810.db2.gz VNYXTDNDMPEMBW-UHFFFAOYSA-N 0 0 434.970 4.616 50 0 IJAARN Cc1nc2sc([C@@H](c3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157487 557030630 /nfs/dbraw/zinc/03/06/30/557030630.db2.gz HCLNNFZJHPFTKT-OAQYLSRUSA-N 0 0 436.556 4.988 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000046076204 557032458 /nfs/dbraw/zinc/03/24/58/557032458.db2.gz AJGUCEJHHRQWPI-MRXNPFEDSA-N 0 0 425.506 4.924 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000046076288 557032462 /nfs/dbraw/zinc/03/24/62/557032462.db2.gz VDHGOKSQSFSCCB-INIZCTEOSA-N 0 0 425.506 4.924 50 0 IJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)Cc3ccccc3)cc1C(=O)N2 ZINC000046077552 557033252 /nfs/dbraw/zinc/03/32/52/557033252.db2.gz PNQYZGCKOMVDOL-UHFFFAOYSA-N 0 0 442.924 4.827 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 ZINC000046078584 557033608 /nfs/dbraw/zinc/03/36/08/557033608.db2.gz HCZZXHKRHJZARN-UHFFFAOYSA-N 0 0 430.504 4.858 50 0 IJAARN CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079837 557035245 /nfs/dbraw/zinc/03/52/45/557035245.db2.gz PKJIJVGRZNSTDJ-UHFFFAOYSA-N 0 0 427.504 4.974 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc1 ZINC000017287977 557045186 /nfs/dbraw/zinc/04/51/86/557045186.db2.gz OLINDRVDMGTACF-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181721 557045764 /nfs/dbraw/zinc/04/57/64/557045764.db2.gz GBYSIDGCWDOYHF-DVECYGJZSA-N 0 0 441.641 4.705 50 0 IJAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000023181725 557045854 /nfs/dbraw/zinc/04/58/54/557045854.db2.gz GBYSIDGCWDOYHF-NTKDMRAZSA-N 0 0 441.641 4.705 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccc(Cl)cc1F ZINC000033270714 557047387 /nfs/dbraw/zinc/04/73/87/557047387.db2.gz NKXOAWRBRTXABL-UHFFFAOYSA-N 0 0 431.880 4.602 50 0 IJAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4cccc(C)c4C)n3)n[nH]2)cc1 ZINC000033270921 557048059 /nfs/dbraw/zinc/04/80/59/557048059.db2.gz SRURMAPHSZLDGH-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccc(C)cc4)cs3)no2)no1 ZINC000033270885 557048129 /nfs/dbraw/zinc/04/81/29/557048129.db2.gz GWISCVJXIYTMSJ-UHFFFAOYSA-N 0 0 441.538 4.662 50 0 IJAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4c(C)cccc4C)n3)n[nH]2)cc1 ZINC000033270919 557048142 /nfs/dbraw/zinc/04/81/42/557048142.db2.gz CESMEZVGZKMMBR-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN CC(C)(C)c1ccc(OCCCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000022931562 557050175 /nfs/dbraw/zinc/05/01/75/557050175.db2.gz TZWPGYNKCOIKOF-UHFFFAOYSA-N 0 0 444.019 4.663 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1C ZINC000023055430 557060786 /nfs/dbraw/zinc/06/07/86/557060786.db2.gz JIZXEBAZCVVNIZ-UHFFFAOYSA-N 0 0 449.532 4.912 50 0 IJAARN COc1ccc(C)cc1NC(=O)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948923 557063075 /nfs/dbraw/zinc/06/30/75/557063075.db2.gz OCHZAYSUMWAYNV-HXUWFJFHSA-N 0 0 436.483 4.847 50 0 IJAARN COc1ccc(C)cc1NC(=O)N[C@@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948921 557063098 /nfs/dbraw/zinc/06/30/98/557063098.db2.gz OCHZAYSUMWAYNV-FQEVSTJZSA-N 0 0 436.483 4.847 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033283827 557063221 /nfs/dbraw/zinc/06/32/21/557063221.db2.gz CWUYFWKSKUTIAK-VWLOTQADSA-N 0 0 432.545 4.821 50 0 IJAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCC(=O)N(C)C)cc1 ZINC000048302520 557063666 /nfs/dbraw/zinc/06/36/66/557063666.db2.gz OMEGJWCCLMDALH-WOJGMQOQSA-N 0 0 448.375 4.867 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c(N(C)c2ccccc2)nc1=O ZINC000033287440 557064757 /nfs/dbraw/zinc/06/47/57/557064757.db2.gz KWSPNOJNKBQIKU-UHFFFAOYSA-N 0 0 426.520 4.674 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1F ZINC000033288235 557065522 /nfs/dbraw/zinc/06/55/22/557065522.db2.gz MXYKIQHAELLHAJ-UHFFFAOYSA-N 0 0 436.487 4.580 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1F ZINC000033289196 557066371 /nfs/dbraw/zinc/06/63/71/557066371.db2.gz STTQJSHZYUFIKE-KRWDZBQOSA-N 0 0 436.487 4.580 50 0 IJAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@@H]1c1nccs1 ZINC000023146063 557068173 /nfs/dbraw/zinc/06/81/73/557068173.db2.gz IMCQQKBIVSFNHM-PXDATVDWSA-N 0 0 433.577 4.632 50 0 IJAARN CN(C)C(=O)c1ccc(CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 ZINC000048340959 557070620 /nfs/dbraw/zinc/07/06/20/557070620.db2.gz HEYXKFHHXUMUPI-UHFFFAOYSA-N 0 0 428.960 4.785 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cc(C)cc(C)c4)C3)n2)c1 ZINC000033289814 557071494 /nfs/dbraw/zinc/07/14/94/557071494.db2.gz HZCSIVRAMUMMRZ-IBGZPJMESA-N 0 0 432.524 4.722 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)c1 ZINC000033289872 557071548 /nfs/dbraw/zinc/07/15/48/557071548.db2.gz XNEJZQKORJXGQN-AIGDTVQASA-N 0 0 430.508 4.505 50 0 IJAARN COc1cc(NC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc(OC)c1 ZINC000033296739 557072500 /nfs/dbraw/zinc/07/25/00/557072500.db2.gz HVQLYQPYVIVSQL-UHFFFAOYSA-N 0 0 448.523 4.775 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033297915 557073943 /nfs/dbraw/zinc/07/39/43/557073943.db2.gz OMUPIITZPMDLMB-LCYFTJDESA-N 0 0 439.537 4.920 50 0 IJAARN COc1ccc(NC(=O)CSc2ncnc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000033298690 557074644 /nfs/dbraw/zinc/07/46/44/557074644.db2.gz SSUOFMFJPYSUTD-UHFFFAOYSA-N 0 0 443.326 4.613 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000023224756 557074862 /nfs/dbraw/zinc/07/48/62/557074862.db2.gz FEFMLCGFAXNKIY-XMMPIXPASA-N 0 0 436.983 4.877 50 0 IJAARN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1O ZINC000033293745 557076633 /nfs/dbraw/zinc/07/66/33/557076633.db2.gz NTNDHJZKOZEVHH-FRKPEAEDSA-N 0 0 438.274 4.539 50 0 IJAARN COc1ccccc1-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)n1 ZINC000011309592 557082485 /nfs/dbraw/zinc/08/24/85/557082485.db2.gz HFIWCJVTTZYBSU-UHFFFAOYSA-N 0 0 442.504 4.680 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2cccc(OC(F)(F)F)c2)n1 ZINC000049004953 557084027 /nfs/dbraw/zinc/08/40/27/557084027.db2.gz VILIXAOWDJPHAO-UHFFFAOYSA-N 0 0 448.470 4.769 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000033302479 557084340 /nfs/dbraw/zinc/08/43/40/557084340.db2.gz AEYFSHMTXYNHJX-SFHVURJKSA-N 0 0 444.560 4.611 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CSc1cc(N2C[C@@H](C)C[C@H](C)C2)ncn1 ZINC000049006748 557085371 /nfs/dbraw/zinc/08/53/71/557085371.db2.gz BXTRQDHPIMBSEU-KBPBESRZSA-N 0 0 449.418 4.761 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)o2)cc1 ZINC000033308302 557088512 /nfs/dbraw/zinc/08/85/12/557088512.db2.gz PMAKQWDCYTZITA-UHFFFAOYSA-N 0 0 444.491 4.643 50 0 IJAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)c1 ZINC000033308355 557088918 /nfs/dbraw/zinc/08/89/18/557088918.db2.gz DBYNIGJCLRRKKO-UHFFFAOYSA-N 0 0 442.475 4.835 50 0 IJAARN O=C(CCc1nc(-c2ccncc2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011328176 557090956 /nfs/dbraw/zinc/09/09/56/557090956.db2.gz VRKSUTKJKGAKNH-UHFFFAOYSA-N 0 0 430.308 4.741 50 0 IJAARN CC[C@@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043774397 557091220 /nfs/dbraw/zinc/09/12/20/557091220.db2.gz PQDKVVIRQOEGLX-DIKOGFFKSA-N 0 0 430.511 4.509 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)s1 ZINC000033315232 557097292 /nfs/dbraw/zinc/09/72/92/557097292.db2.gz MQIKUGJPOHFIJS-MRXNPFEDSA-N 0 0 429.977 4.763 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 ZINC000049401807 557097377 /nfs/dbraw/zinc/09/73/77/557097377.db2.gz PPJXIMFBKMOBQI-UHFFFAOYSA-N 0 0 430.552 4.925 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312979 557097933 /nfs/dbraw/zinc/09/79/33/557097933.db2.gz LVGBMMNGABALHR-UHFFFAOYSA-N 0 0 426.442 4.693 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000010914413 557098401 /nfs/dbraw/zinc/09/84/01/557098401.db2.gz OUSRIUFLSSRYHE-UHFFFAOYSA-N 0 0 438.409 4.878 50 0 IJAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ncn2)n1 ZINC000049404227 557099541 /nfs/dbraw/zinc/09/95/41/557099541.db2.gz QFXOEDSECVWIJQ-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN Cc1cc(C)cc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2cccn3cnnc23)c1 ZINC000049404958 557100097 /nfs/dbraw/zinc/10/00/97/557100097.db2.gz TWCNDWOKFDLBGO-UHFFFAOYSA-N 0 0 444.919 4.534 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(C(C)C)cc3)cccn12 ZINC000049405159 557100419 /nfs/dbraw/zinc/10/04/19/557100419.db2.gz WGRKZYRJWGJCHX-UHFFFAOYSA-N 0 0 434.565 4.865 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405165 557100432 /nfs/dbraw/zinc/10/04/32/557100432.db2.gz UHEABZBGAWRTMA-UHFFFAOYSA-N 0 0 434.565 4.865 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(Cl)cc3)cccn12 ZINC000049405067 557100460 /nfs/dbraw/zinc/10/04/60/557100460.db2.gz PESQDYWEVWAHOO-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(SCC(=O)Nc4ccccc4C)nc3)n2)cc1 ZINC000049405671 557100973 /nfs/dbraw/zinc/10/09/73/557100973.db2.gz UOIVVWPNRJUTFF-UHFFFAOYSA-N 0 0 432.505 4.846 50 0 IJAARN COc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(C)c(Cl)c4)c(C)n3n2)cc1 ZINC000086069751 557108062 /nfs/dbraw/zinc/10/80/62/557108062.db2.gz NPVNQCWDYLLYER-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(Cl)cc2F)=Nc2ccccc2N1 ZINC000049421644 557108430 /nfs/dbraw/zinc/10/84/30/557108430.db2.gz QMWFFIMRYPPIFS-UHFFFAOYSA-N 0 0 433.892 4.754 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c(OC)c1OC ZINC000049545349 557111503 /nfs/dbraw/zinc/11/15/03/557111503.db2.gz CGFDWTGCWGLFAT-INIZCTEOSA-N 0 0 427.888 4.734 50 0 IJAARN CCc1cccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1 ZINC000033328841 557112454 /nfs/dbraw/zinc/11/24/54/557112454.db2.gz DMHUVIRLGPGJKI-UHFFFAOYSA-N 0 0 429.505 4.831 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000033331683 557115643 /nfs/dbraw/zinc/11/56/43/557115643.db2.gz WIBIXWOZEUVQNY-HSZRJFAPSA-N 0 0 441.984 4.830 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000113626157 557118304 /nfs/dbraw/zinc/11/83/04/557118304.db2.gz NTCMXMIZSLFGBO-OYRHEFFESA-N 0 0 434.561 4.744 50 0 IJAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc4ccccc4n32)c1 ZINC000004787056 557119528 /nfs/dbraw/zinc/11/95/28/557119528.db2.gz BMOZRXAWPVJNGG-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN O=C(Oc1ccc(Cl)cc1)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000001162060 557119546 /nfs/dbraw/zinc/11/95/46/557119546.db2.gz LCTMZKIWFKVSKD-UHFFFAOYSA-N 0 0 434.860 4.970 50 0 IJAARN CC(C)Cn1cc(C(=O)NCCc2ccc(Cl)cc2)c2c3ccccc3n(C)c2c1=O ZINC000004788524 557120018 /nfs/dbraw/zinc/12/00/18/557120018.db2.gz KGLOCYNTYCZVSC-UHFFFAOYSA-N 0 0 435.955 4.775 50 0 IJAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)OCCO2 ZINC000023235509 557120293 /nfs/dbraw/zinc/12/02/93/557120293.db2.gz WCYCQXRXRKEQTP-UHFFFAOYSA-N 0 0 435.427 4.858 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000000637423 557123374 /nfs/dbraw/zinc/12/33/74/557123374.db2.gz YSCXMOPJQOVZSR-UHFFFAOYSA-N 0 0 446.326 4.894 50 0 IJAARN Cn1cc([C@@H]2[C@@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792858 557126076 /nfs/dbraw/zinc/12/60/76/557126076.db2.gz LHBFHLZVMSRRPM-LOSJGSFVSA-N 0 0 429.564 4.928 50 0 IJAARN Clc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004794047 557126079 /nfs/dbraw/zinc/12/60/79/557126079.db2.gz JOJYQUSIRSQJTB-UHFFFAOYSA-N 0 0 448.910 4.964 50 0 IJAARN COCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000000693310 557136791 /nfs/dbraw/zinc/13/67/91/557136791.db2.gz MLJPHXYSQYMSFV-UHFFFAOYSA-N 0 0 448.445 4.573 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)C1CCCCC1)CC2 ZINC000006381143 557137761 /nfs/dbraw/zinc/13/77/61/557137761.db2.gz FAMWCOXROJWONB-QFIPXVFZSA-N 0 0 427.516 4.928 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1 ZINC000024174467 557139258 /nfs/dbraw/zinc/13/92/58/557139258.db2.gz YLALWUWSUMEFBE-JOCHJYFZSA-N 0 0 449.576 4.925 50 0 IJAARN CCOc1ccc(CN(C)C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000011398643 557139941 /nfs/dbraw/zinc/13/99/41/557139941.db2.gz NKNHOBNBTDBTDQ-UHFFFAOYSA-N 0 0 444.487 4.709 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cncc(Br)c1 ZINC000018004412 557142491 /nfs/dbraw/zinc/14/24/91/557142491.db2.gz WPAQRLSBRBJMTD-UHFFFAOYSA-N 0 0 445.144 4.642 50 0 IJAARN CCn1c(=S)n(CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)nc1C1CC1 ZINC000024279998 557143004 /nfs/dbraw/zinc/14/30/04/557143004.db2.gz RBRVCAOLKUHLMM-UHFFFAOYSA-N 0 0 445.036 4.916 50 0 IJAARN O=C(c1cccnc1Oc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024349999 557144769 /nfs/dbraw/zinc/14/47/69/557144769.db2.gz NPVWJBLVODKVLQ-UHFFFAOYSA-N 0 0 427.426 4.855 50 0 IJAARN CSCC[C@H](NC(=O)Cc1nc(-c2cccs2)oc1C)c1nc2ccccc2[nH]1 ZINC000024355791 557144992 /nfs/dbraw/zinc/14/49/92/557144992.db2.gz CHPLRNGGZHBHSR-INIZCTEOSA-N 0 0 426.567 4.741 50 0 IJAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)c(C)c1 ZINC000024453473 557147328 /nfs/dbraw/zinc/14/73/28/557147328.db2.gz TYLDPYGAYOJVPA-UHFFFAOYSA-N 0 0 430.504 4.884 50 0 IJAARN C[C@@H](SC1CCCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000011445060 557148644 /nfs/dbraw/zinc/14/86/44/557148644.db2.gz MKVVPGSXCBKSMD-CQSZACIVSA-N 0 0 431.023 4.517 50 0 IJAARN CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 ZINC000000718809 557148911 /nfs/dbraw/zinc/14/89/11/557148911.db2.gz CCEDMRHMBZALRO-UHFFFAOYSA-N 0 0 425.333 4.665 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)n(C[C@@H]2CCCO2)c1C ZINC000024513378 557149712 /nfs/dbraw/zinc/14/97/12/557149712.db2.gz PUEXXGHGIUZOTN-AEFFLSMTSA-N 0 0 442.610 4.922 50 0 IJAARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cccc(Cl)c3Cl)n[nH]2)c1 ZINC000016399976 557150368 /nfs/dbraw/zinc/15/03/68/557150368.db2.gz XLNDJDBXPQGUHN-UHFFFAOYSA-N 0 0 439.324 4.527 50 0 IJAARN Cc1cc(NC(=S)NCCN2CCN(c3cc(Cl)ccc3Cl)CC2)ccc1F ZINC000016393434 557150820 /nfs/dbraw/zinc/15/08/20/557150820.db2.gz IWDNVEXDSLBGRT-UHFFFAOYSA-N 0 0 441.403 4.550 50 0 IJAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000024609549 557154487 /nfs/dbraw/zinc/15/44/87/557154487.db2.gz DDPMRXHEZBLSLZ-UHFFFAOYSA-N 0 0 448.588 4.843 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)c1 ZINC000024658622 557157622 /nfs/dbraw/zinc/15/76/22/557157622.db2.gz UHONGSXIBDHQJC-JOCHJYFZSA-N 0 0 425.575 4.550 50 0 IJAARN COc1cc2c(cc1NC(=O)CCCn1cnc3ccccc3c1=O)oc1ccccc12 ZINC000024690021 557158770 /nfs/dbraw/zinc/15/87/70/557158770.db2.gz ABXAQESFICJVNP-UHFFFAOYSA-N 0 0 427.460 4.723 50 0 IJAARN CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 ZINC000095616591 557159607 /nfs/dbraw/zinc/15/96/07/557159607.db2.gz KVQOGDQTWWCZFX-UHFFFAOYSA-N 0 0 429.612 4.620 50 0 in-vitro IJAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cnn1-c1ccccc1C(F)(F)F ZINC000024742454 557161104 /nfs/dbraw/zinc/16/11/04/557161104.db2.gz RBPDOFGWKPFBBS-UHFFFAOYSA-N 0 0 444.457 4.527 50 0 IJAARN O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cc(Br)ccc1Cl ZINC000206774368 557162109 /nfs/dbraw/zinc/16/21/09/557162109.db2.gz PAGBDHLTALZXJM-ZDUSSCGKSA-N 0 0 434.721 4.643 50 0 IJAARN COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1OCc1ccccn1 ZINC000024750015 557162360 /nfs/dbraw/zinc/16/23/60/557162360.db2.gz PFDJYLJFJYXIHT-RUZDIDTESA-N 0 0 448.519 4.568 50 0 IJAARN COc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000000729286 557162451 /nfs/dbraw/zinc/16/24/51/557162451.db2.gz LZIRYIOSCOEXGP-STZFKDTASA-N 0 0 434.467 4.561 50 0 IJAARN COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 ZINC000024759397 557163955 /nfs/dbraw/zinc/16/39/55/557163955.db2.gz FGDNZTIPKIISGE-SNVBAGLBSA-N 0 0 446.219 4.661 50 0 IJAARN COc1ccc(CCC(=O)NCc2cncc(-c3ccsc3)c2)cc1Br ZINC000206945083 557166771 /nfs/dbraw/zinc/16/67/71/557166771.db2.gz LGMXOINGKQTNIJ-UHFFFAOYSA-N 0 0 431.355 4.830 50 0 IJAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000024843425 557173817 /nfs/dbraw/zinc/17/38/17/557173817.db2.gz KYPHAZUQHQYJBQ-UHFFFAOYSA-N 0 0 432.499 4.729 50 0 IJAARN NC(=O)c1ccc(NC(=O)CSCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000024843718 557173853 /nfs/dbraw/zinc/17/38/53/557173853.db2.gz YZBYQEUNQZYAQF-UHFFFAOYSA-N 0 0 442.544 4.510 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000024856837 557174490 /nfs/dbraw/zinc/17/44/90/557174490.db2.gz MXKDNTBPEZJUSQ-UHFFFAOYSA-N 0 0 430.430 4.606 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000010964362 557174547 /nfs/dbraw/zinc/17/45/47/557174547.db2.gz QSULVPQARLGYOC-OAQYLSRUSA-N 0 0 426.513 4.905 50 0 IJAARN Cc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1NS(C)(=O)=O ZINC000024928200 557180334 /nfs/dbraw/zinc/18/03/34/557180334.db2.gz SWMRGWUUURMDIO-UHFFFAOYSA-N 0 0 445.610 4.543 50 0 IJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000000786306 557183109 /nfs/dbraw/zinc/18/31/09/557183109.db2.gz BSURONCXVYZXGN-UHFFFAOYSA-N 0 0 444.560 4.906 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)s1 ZINC000024967744 557183334 /nfs/dbraw/zinc/18/33/34/557183334.db2.gz GXWYATQCLUOWJV-UHFFFAOYSA-N 0 0 429.567 4.707 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000024968598 557183431 /nfs/dbraw/zinc/18/34/31/557183431.db2.gz GGBLKDSTTYPFFM-NSHDSACASA-N 0 0 425.905 4.754 50 0 IJAARN C[C@H](CCc1ccco1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024970366 557183801 /nfs/dbraw/zinc/18/38/01/557183801.db2.gz NWFAJIUVTBTPGB-CYBMUJFWSA-N 0 0 429.870 4.701 50 0 IJAARN C[C@H](NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)c1nnc2n1CCC2 ZINC000024982125 557185414 /nfs/dbraw/zinc/18/54/14/557185414.db2.gz SEBZHOHMQOPZNW-ZDUSSCGKSA-N 0 0 429.496 4.774 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000789414 557186030 /nfs/dbraw/zinc/18/60/30/557186030.db2.gz XEEJLAGOYXRIDP-UHFFFAOYSA-N 0 0 428.941 4.533 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3c(C)cc(Br)cc3C)n[nH]2)cc1 ZINC000009306156 557186355 /nfs/dbraw/zinc/18/63/55/557186355.db2.gz RTSCWVFAEPWVDP-UHFFFAOYSA-N 0 0 447.358 4.590 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2c(cccc2C)o1 ZINC000096279294 557193880 /nfs/dbraw/zinc/19/38/80/557193880.db2.gz LTBPWZZNFXUKSF-UHFFFAOYSA-N 0 0 443.502 4.727 50 0 IJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000100873415 557196159 /nfs/dbraw/zinc/19/61/59/557196159.db2.gz UGKPVPJVKRLDFL-PTYIPUSCSA-N 0 0 437.384 4.704 50 0 IJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000100873407 557196193 /nfs/dbraw/zinc/19/61/93/557196193.db2.gz YATPOLWIHGMKJB-XDOYNYLZSA-N 0 0 433.371 4.860 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)Nc3cccc(Cn4ccnc4)c3)c2C(F)(F)F)cc1 ZINC000025179627 557199166 /nfs/dbraw/zinc/19/91/66/557199166.db2.gz ANFXDOKTEBINHK-UHFFFAOYSA-N 0 0 425.414 4.697 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)N(Cc3ccco3)Cc3cccs3)n2)cc1 ZINC000025303505 557203114 /nfs/dbraw/zinc/20/31/14/557203114.db2.gz LABXOIUGFUHOFX-UHFFFAOYSA-N 0 0 437.521 4.951 50 0 IJAARN COCc1cccc(NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)c1 ZINC000025335695 557204866 /nfs/dbraw/zinc/20/48/66/557204866.db2.gz QKKJXWYENKHGDU-UHFFFAOYSA-N 0 0 443.503 4.955 50 0 IJAARN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000169677543 557209560 /nfs/dbraw/zinc/20/95/60/557209560.db2.gz BTUZABDNGLHCGQ-CTNGQTDRSA-N 0 0 449.904 4.505 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1)[C@H]1CCCO1 ZINC000025509231 557212290 /nfs/dbraw/zinc/21/22/90/557212290.db2.gz JIDQZFKZVVUPQR-WIYYLYMNSA-N 0 0 438.574 4.715 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc1 ZINC000011648963 557219440 /nfs/dbraw/zinc/21/94/40/557219440.db2.gz OXFUVXUSIUZQCM-UHFFFAOYSA-N 0 0 425.554 4.588 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025618915 557219697 /nfs/dbraw/zinc/21/96/97/557219697.db2.gz CTVZVGCSTKIBHW-JOCHJYFZSA-N 0 0 426.538 4.622 50 0 IJAARN COC(=O)c1nc([C@@H](NC(=O)OCc2ccccc2)C(C)C)n(Cc2ccccc2)c1C ZINC000218917150 557220820 /nfs/dbraw/zinc/22/08/20/557220820.db2.gz CELWXBKMXPVREP-NRFANRHFSA-N 0 0 435.524 4.650 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)SCc1ccc(Br)cc1 ZINC000011657797 557227322 /nfs/dbraw/zinc/22/73/22/557227322.db2.gz MLKGDPRXUKRRNL-GFCCVEGCSA-N 0 0 437.359 4.677 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2cccc(C)c2)on1 ZINC000011162979 557227373 /nfs/dbraw/zinc/22/73/73/557227373.db2.gz AZSQOAMJWYMFAP-UHFFFAOYSA-N 0 0 444.520 4.751 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000025901541 557229720 /nfs/dbraw/zinc/22/97/20/557229720.db2.gz JNHBEANJALOXAM-RDPSFJRHSA-N 0 0 448.563 4.914 50 0 IJAARN Cc1sc2ncn(CCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)c(=O)c2c1C ZINC000025903215 557229766 /nfs/dbraw/zinc/22/97/66/557229766.db2.gz MVDZJFRMRDGXPO-QFIPXVFZSA-N 0 0 449.601 4.701 50 0 IJAARN O=C(NCCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023320019 557231638 /nfs/dbraw/zinc/23/16/38/557231638.db2.gz URJWENCCESSCJP-UHFFFAOYSA-N 0 0 435.518 4.624 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000023320486 557231866 /nfs/dbraw/zinc/23/18/66/557231866.db2.gz ARHJLVJYPHECPI-AWEZNQCLSA-N 0 0 431.319 4.810 50 0 IJAARN COc1cc(OC)c(C2=CCN(C(=O)CCSc3ccc(F)cc3)CC2)c(OC)c1 ZINC000026001884 557231984 /nfs/dbraw/zinc/23/19/84/557231984.db2.gz LVYFVCZGSWWLPU-UHFFFAOYSA-N 0 0 431.529 4.650 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(SC)c3)n2)cc1F ZINC000098211457 557234913 /nfs/dbraw/zinc/23/49/13/557234913.db2.gz BALHOKHZVFCTAV-UHFFFAOYSA-N 0 0 438.484 4.713 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000011002058 557237747 /nfs/dbraw/zinc/23/77/47/557237747.db2.gz KXZBLGHTSNLILQ-HXUWFJFHSA-N 0 0 432.495 4.896 50 0 IJAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018117018 557238301 /nfs/dbraw/zinc/23/83/01/557238301.db2.gz GIVHQZBGYVLNFQ-ZLNRFVROSA-N 0 0 448.906 4.790 50 0 IJAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1ccccc1Br ZINC000032951175 557240109 /nfs/dbraw/zinc/24/01/09/557240109.db2.gz VTSYKANRUSIYPJ-UHFFFAOYSA-N 0 0 427.224 4.639 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1c1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000018121985 557240130 /nfs/dbraw/zinc/24/01/30/557240130.db2.gz VYVJPUFMJWRUMD-OYRHEFFESA-N 0 0 444.583 4.945 50 0 IJAARN Clc1ccccc1-n1c(Cn2cnc3ccccc32)nnc1SC[C@H]1CCCCO1 ZINC000051103451 557244973 /nfs/dbraw/zinc/24/49/73/557244973.db2.gz FRYDSBDAYKYJNX-MRXNPFEDSA-N 0 0 439.972 4.980 50 0 IJAARN CCN(C(=O)CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000026603926 557245431 /nfs/dbraw/zinc/24/54/31/557245431.db2.gz MJAWUMMPZTUHKG-IBGZPJMESA-N 0 0 438.330 4.589 50 0 IJAARN O=C(Nc1ccccc1)N(Cc1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100163381 557245479 /nfs/dbraw/zinc/24/54/79/557245479.db2.gz ZNNMGIKBGOPDTF-LJQANCHMSA-N 0 0 439.924 4.768 50 0 IJAARN O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1)C1CC1 ZINC000026654535 557246125 /nfs/dbraw/zinc/24/61/25/557246125.db2.gz XWVZKRZROLFSRY-UHFFFAOYSA-N 0 0 441.369 4.926 50 0 IJAARN COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3cc(Cl)c4c(c3)OCCCO4)nc2c1 ZINC000026763144 557247473 /nfs/dbraw/zinc/24/74/73/557247473.db2.gz DLPPHDASCXGWQI-NVNXTCNLSA-N 0 0 447.274 4.674 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000812943 557254148 /nfs/dbraw/zinc/25/41/48/557254148.db2.gz HSYUGRSSGVSBDW-UHFFFAOYSA-N 0 0 428.517 4.945 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000027017395 557254344 /nfs/dbraw/zinc/25/43/44/557254344.db2.gz XAGBBUGTDDPHKK-QHCPKHFHSA-N 0 0 441.531 4.980 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccccc2C)cc1 ZINC000000821325 557268059 /nfs/dbraw/zinc/26/80/59/557268059.db2.gz RMUBSTAPORTZOS-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000825518 557268813 /nfs/dbraw/zinc/26/88/13/557268813.db2.gz UCOQBZBJDUHPLU-UHFFFAOYSA-N 0 0 431.039 4.918 50 0 IJAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000022920905 557273272 /nfs/dbraw/zinc/27/32/72/557273272.db2.gz DHTDNFYZLNCEPW-LICLKQGHSA-N 0 0 439.603 4.546 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000027792915 557274095 /nfs/dbraw/zinc/27/40/95/557274095.db2.gz NPPOMKNTTNKSFT-IBGZPJMESA-N 0 0 439.537 4.547 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@@H]1c1ccc(C)cc1C ZINC000101368264 557277974 /nfs/dbraw/zinc/27/79/74/557277974.db2.gz VSDBFIYBKASYAF-KSFYIVLOSA-N 0 0 441.597 4.746 50 0 IJAARN O=C(Nc1snnc1C(=O)N1CCCC[C@@H]1c1cccnc1)Nc1ccccc1Cl ZINC000101377029 557281462 /nfs/dbraw/zinc/28/14/62/557281462.db2.gz MHLAHUYIBJKKMR-MRXNPFEDSA-N 0 0 442.932 4.598 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)N[C@H](C)CC)=CSC2=N1 ZINC000101394779 557283450 /nfs/dbraw/zinc/28/34/50/557283450.db2.gz NCQUGXRIHQWCJI-XCLFUZPHSA-N 0 0 447.988 4.783 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101399869 557283518 /nfs/dbraw/zinc/28/35/18/557283518.db2.gz JUKOROSPIHKYTK-NRFANRHFSA-N 0 0 445.560 4.516 50 0 IJAARN CC(C)C[C@@H]1Nc2ccc(Br)cc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000101523343 557290765 /nfs/dbraw/zinc/29/07/65/557290765.db2.gz VRYLRODQHUHQCL-QGZVFWFLSA-N 0 0 429.293 4.844 50 0 IJAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000101558419 557291056 /nfs/dbraw/zinc/29/10/56/557291056.db2.gz INSMUWBXVWCOJN-APWZRJJASA-N 0 0 442.544 4.609 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCCO2 ZINC000049005101 557295850 /nfs/dbraw/zinc/29/58/50/557295850.db2.gz LLDYSNOHTOZKDW-GOSISDBHSA-N 0 0 432.524 4.858 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827719 557299470 /nfs/dbraw/zinc/29/94/70/557299470.db2.gz WABWLLBQRJFQDR-KRWDZBQOSA-N 0 0 434.927 4.877 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000014085139 557299994 /nfs/dbraw/zinc/29/99/94/557299994.db2.gz CZUHRRTXSFWJBJ-LJQANCHMSA-N 0 0 447.608 4.876 50 0 IJAARN CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000014077580 557300247 /nfs/dbraw/zinc/30/02/47/557300247.db2.gz GIGQXMLBIIDVNY-UHFFFAOYSA-N 0 0 428.532 4.555 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2)c1cccnc1 ZINC000101836698 557303208 /nfs/dbraw/zinc/30/32/08/557303208.db2.gz LFAQDZODYHXEOT-FQEVSTJZSA-N 0 0 428.883 4.635 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000102519483 557303319 /nfs/dbraw/zinc/30/33/19/557303319.db2.gz DCHFIUKDCSASNW-IRXDYDNUSA-N 0 0 428.410 4.803 50 0 IJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014129152 557308124 /nfs/dbraw/zinc/30/81/24/557308124.db2.gz OSQSCCSVUDPQEI-UHFFFAOYSA-N 0 0 447.607 4.607 50 0 IJAARN COc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)cc1Cl ZINC000101946163 557308165 /nfs/dbraw/zinc/30/81/65/557308165.db2.gz GATSXORIQXHNDE-MRXNPFEDSA-N 0 0 425.916 4.823 50 0 IJAARN O=C1Nc2ccccc2[C@]12Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000102156644 557313729 /nfs/dbraw/zinc/31/37/29/557313729.db2.gz HYHBZIOSMUDMLX-REWPJTCUSA-N 0 0 446.304 4.798 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000014189929 557315279 /nfs/dbraw/zinc/31/52/79/557315279.db2.gz KCJYUJQSKIRASA-UHFFFAOYSA-N 0 0 438.402 4.898 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[C@H]1C ZINC000102254805 557316496 /nfs/dbraw/zinc/31/64/96/557316496.db2.gz WMJBORNDKVKQOC-JKIFEVAISA-N 0 0 448.972 4.752 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581441 557316677 /nfs/dbraw/zinc/31/66/77/557316677.db2.gz CRSDGQNKTRVMNC-JCHSIQAQSA-N 0 0 448.350 4.886 50 0 IJAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n2ncnc2n1 ZINC000033122229 557324337 /nfs/dbraw/zinc/32/43/37/557324337.db2.gz BOQUFDIOMXPBSU-UHFFFAOYSA-N 0 0 426.452 4.760 50 0 IJAARN Cc1ccccc1NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000033128475 557324959 /nfs/dbraw/zinc/32/49/59/557324959.db2.gz CCUJAVITHQZAMX-UHFFFAOYSA-N 0 0 441.531 4.729 50 0 IJAARN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2coc(-c3ccccc3)n2)CCCCCC1 ZINC000024495547 557326300 /nfs/dbraw/zinc/32/63/00/557326300.db2.gz LFDHCGZQBMRMMD-UHFFFAOYSA-N 0 0 427.545 4.618 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249327 557327261 /nfs/dbraw/zinc/32/72/61/557327261.db2.gz SBJQLJFNTZBIDU-UHFFFAOYSA-N 0 0 440.540 4.641 50 0 IJAARN Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4C)cs3)no2)no1 ZINC000033271074 557328651 /nfs/dbraw/zinc/32/86/51/557328651.db2.gz XFMNEQFPNGOGPN-UHFFFAOYSA-N 0 0 441.538 4.662 50 0 IJAARN Cc1ccc(CNC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000102485166 557331088 /nfs/dbraw/zinc/33/10/88/557331088.db2.gz BZBZGMUUZZXYMO-UHFFFAOYSA-N 0 0 425.532 4.786 50 0 IJAARN COc1cccc(Oc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)c1 ZINC000033424810 557334659 /nfs/dbraw/zinc/33/46/59/557334659.db2.gz HSLQBFJEWMHVSS-UHFFFAOYSA-N 0 0 433.533 4.991 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836693 557336285 /nfs/dbraw/zinc/33/62/85/557336285.db2.gz NMUNQGBYYGLITP-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3c(C)cccc3C)C(=O)C2)cc1 ZINC000102530213 557341780 /nfs/dbraw/zinc/34/17/80/557341780.db2.gz VXLYQUQERQHQIV-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)C[C@@H](C)O1 ZINC000023334646 557349356 /nfs/dbraw/zinc/34/93/56/557349356.db2.gz WRSPNCADXZOABG-WOJBJXKFSA-N 0 0 444.579 4.983 50 0 IJAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(OC)cc2)cc1 ZINC000023435733 557354212 /nfs/dbraw/zinc/35/42/12/557354212.db2.gz VYSOHXXNJMLCRW-UHFFFAOYSA-N 0 0 449.551 4.987 50 0 IJAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)NC3CCCCC3)c3ccccc3n1)CC2 ZINC000023437224 557354637 /nfs/dbraw/zinc/35/46/37/557354637.db2.gz YBVNXFQUGGGNDP-UHFFFAOYSA-N 0 0 445.563 4.877 50 0 IJAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@]21c2ccccc2NC1=O ZINC000102577519 557355112 /nfs/dbraw/zinc/35/51/12/557355112.db2.gz QMOJULIFHVKKOB-XMMPIXPASA-N 0 0 443.532 4.999 50 0 IJAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@]21c2ccccc2NC1=O ZINC000102577513 557355197 /nfs/dbraw/zinc/35/51/97/557355197.db2.gz QMOJULIFHVKKOB-DEOSSOPVSA-N 0 0 443.532 4.999 50 0 IJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000023430255 557355256 /nfs/dbraw/zinc/35/52/56/557355256.db2.gz RRFLHBXIYLCFQI-UHFFFAOYSA-N 0 0 425.506 4.785 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023442436 557358313 /nfs/dbraw/zinc/35/83/13/557358313.db2.gz OGIXUJIZAKXBHF-HSZRJFAPSA-N 0 0 427.422 4.909 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccco3)c2)n(-c2ccc(OC)cc2)n1 ZINC000023460232 557360327 /nfs/dbraw/zinc/36/03/27/557360327.db2.gz UUTNHYNPQWNLMC-UHFFFAOYSA-N 0 0 431.448 4.570 50 0 IJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3ccc(F)c(F)c3)c2)cc1OC ZINC000023461810 557361124 /nfs/dbraw/zinc/36/11/24/557361124.db2.gz YKEZIKSAKCIMBL-UHFFFAOYSA-N 0 0 449.457 4.765 50 0 IJAARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000102667607 557362664 /nfs/dbraw/zinc/36/26/64/557362664.db2.gz DJQZXHBCWNXVGU-HJPURHCSSA-N 0 0 446.507 4.678 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cc21 ZINC000102700428 557365395 /nfs/dbraw/zinc/36/53/95/557365395.db2.gz LGWBBPDBYAKTHG-VXGBXAGGSA-N 0 0 439.562 4.954 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000102730555 557371178 /nfs/dbraw/zinc/37/11/78/557371178.db2.gz QBIYPRGFEDEOSX-DSNGMDLFSA-N 0 0 442.515 4.835 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@H]1c1ccccc1Cl ZINC000102744611 557377410 /nfs/dbraw/zinc/37/74/10/557377410.db2.gz VUANJWJGXBJZPA-XCLFUZPHSA-N 0 0 447.988 4.783 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2I)cc1OCC ZINC000013669041 557382270 /nfs/dbraw/zinc/38/22/70/557382270.db2.gz VIMHFXPYGMUWKG-CYBMUJFWSA-N 0 0 439.293 4.580 50 0 IJAARN COc1ccc(OC)c([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000102753351 557383417 /nfs/dbraw/zinc/38/34/17/557383417.db2.gz UOKCEFADCNHZRQ-ZSEKCTLFSA-N 0 0 436.443 4.855 50 0 IJAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 ZINC000011695021 557392998 /nfs/dbraw/zinc/39/29/98/557392998.db2.gz IDXQXBRCHVLYKD-UHFFFAOYSA-N 0 0 426.563 4.925 50 0 IJAARN COc1cc(OC)c([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)cc1OC ZINC000102832982 557394349 /nfs/dbraw/zinc/39/43/49/557394349.db2.gz ZIRQMJOMGXZTBH-JLCFBVMHSA-N 0 0 448.479 4.724 50 0 IJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000004903551 557402981 /nfs/dbraw/zinc/40/29/81/557402981.db2.gz JVKYUBJJYUFAAC-QFIPXVFZSA-N 0 0 425.532 4.940 50 0 IJAARN C[C@@H](NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004920144 557404644 /nfs/dbraw/zinc/40/46/44/557404644.db2.gz OTBRGWMEJMDCLE-KMOWTAILSA-N 0 0 429.564 4.572 50 0 IJAARN C[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)NCc1ccccc1 ZINC000103014132 557416323 /nfs/dbraw/zinc/41/63/23/557416323.db2.gz NKVOCSCXBJQULQ-LPPUWEFUSA-N 0 0 445.902 4.548 50 0 IJAARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)c1 ZINC000033602535 557419225 /nfs/dbraw/zinc/41/92/25/557419225.db2.gz GDQMBFZEYOXTDQ-UHFFFAOYSA-N 0 0 439.324 4.527 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)[C@H]1C ZINC000103233808 557427988 /nfs/dbraw/zinc/42/79/88/557427988.db2.gz FBORSIAAQPABHS-LQWHRVPQSA-N 0 0 429.655 4.566 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@@]1(C(=O)N(c3ccccc3)N=C1C)[C@@H]1CCCCN21 ZINC000103343159 557433962 /nfs/dbraw/zinc/43/39/62/557433962.db2.gz AYAFRAWJLWWCNY-OZXSUGGESA-N 0 0 425.536 4.505 50 0 IJAARN CC1(C)CC(=O)C(C(c2ccc(OC(F)F)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000103445143 557437008 /nfs/dbraw/zinc/43/70/08/557437008.db2.gz QKGYBSBFKHTSIK-UHFFFAOYSA-N 0 0 434.479 4.520 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096317171 557451592 /nfs/dbraw/zinc/45/15/92/557451592.db2.gz INSXWMQSTVEYOO-UHFFFAOYSA-N 0 0 432.593 4.586 50 0 IJAARN CCN(CC)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(C)c1 ZINC000051317141 557466411 /nfs/dbraw/zinc/46/64/11/557466411.db2.gz UVAZPAHISZLKCE-UHFFFAOYSA-N 0 0 447.583 4.742 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)c2ccccc2)c1 ZINC000104965853 557469798 /nfs/dbraw/zinc/46/97/98/557469798.db2.gz QVTYOGVBBXFECZ-QPPBQGQZSA-N 0 0 447.579 4.964 50 0 IJAARN Cc1ccccc1NC(=S)N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000019912349 557498856 /nfs/dbraw/zinc/49/88/56/557498856.db2.gz YAIWFTXZGVTWAS-HNNXBMFYSA-N 0 0 434.751 4.547 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000105470530 557499345 /nfs/dbraw/zinc/49/93/45/557499345.db2.gz VTPWCUNKCPOBGP-QBKLZVOZSA-N 0 0 439.600 4.950 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CCCC1)N(Cc1ccc(C)cc1)CC2 ZINC000105836313 557511645 /nfs/dbraw/zinc/51/16/45/557511645.db2.gz BKNIKJMIFLJZRD-SIBVEZHUSA-N 0 0 436.596 4.807 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000110570614 557514570 /nfs/dbraw/zinc/51/45/70/557514570.db2.gz RSHKBCKBQYZQDO-IXFSTUDKSA-N 0 0 436.577 4.826 50 0 IJAARN Cc1c(NC(=O)/C(=C/c2ccc(F)cc2)c2ccsc2)c(=O)n(-c2ccccc2)n1C ZINC000003219985 557523493 /nfs/dbraw/zinc/52/34/93/557523493.db2.gz PHKFQWQWLOYNID-KGENOOAVSA-N 0 0 433.508 4.864 50 0 IJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CCCCC2 ZINC000012064304 557526113 /nfs/dbraw/zinc/52/61/13/557526113.db2.gz OCYJSUUBZBHLQK-UHFFFAOYSA-N 0 0 432.545 4.860 50 0 IJAARN CC[C@H](c1nc2ccccc2c(=O)n1-c1cccc(C)c1C)N1C(=O)c2ccccc2C1=O ZINC000044928647 557541004 /nfs/dbraw/zinc/54/10/04/557541004.db2.gz YXCISINANSZAEZ-JOCHJYFZSA-N 0 0 437.499 4.750 50 0 IJAARN CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000109130915 557545616 /nfs/dbraw/zinc/54/56/16/557545616.db2.gz AQNXKDMKFHULEQ-LJQANCHMSA-N 0 0 428.330 4.945 50 0 IJAARN CCOc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c(C)o1 ZINC000045900406 557547053 /nfs/dbraw/zinc/54/70/53/557547053.db2.gz YPVUUOZQFPSFMA-UHFFFAOYSA-N 0 0 446.507 4.912 50 0 IJAARN COc1ccc(Cn2cc(C(=O)c3cc(C)ccc3C)c(=O)c3ccc(C)nc32)cc1F ZINC000045922733 557547877 /nfs/dbraw/zinc/54/78/77/557547877.db2.gz QNVNZMWOLPSVBT-UHFFFAOYSA-N 0 0 430.479 4.749 50 0 IJAARN COc1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[nH]3)c(C)o2)cc1 ZINC000045924858 557549947 /nfs/dbraw/zinc/54/99/47/557549947.db2.gz WYFPHYNDCPNLQD-UHFFFAOYSA-N 0 0 435.505 4.710 50 0 IJAARN O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000225477713 557727463 /nfs/dbraw/zinc/72/74/63/557727463.db2.gz ZENVMSJMIXAZHS-LJQANCHMSA-N 0 0 437.533 4.648 50 0 IJAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000225477746 557727503 /nfs/dbraw/zinc/72/75/03/557727503.db2.gz ZENVMSJMIXAZHS-IBGZPJMESA-N 0 0 437.533 4.648 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 ZINC000225509089 557732184 /nfs/dbraw/zinc/73/21/84/557732184.db2.gz CPUAZSLAEBQAAE-QFIPXVFZSA-N 0 0 443.601 4.960 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(C)n1[C@H](C)c1ccccc1 ZINC000225610743 557751316 /nfs/dbraw/zinc/75/13/16/557751316.db2.gz KKBDMYDORLGJBR-KBMIEXCESA-N 0 0 445.563 4.884 50 0 IJAARN Clc1cccc(-c2n[nH]cc2CNCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000225734442 557770517 /nfs/dbraw/zinc/77/05/17/557770517.db2.gz HZVWMCTZFYUWBH-UHFFFAOYSA-N 0 0 444.720 4.832 50 0 IJAARN CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000225742411 557771583 /nfs/dbraw/zinc/77/15/83/557771583.db2.gz QGVAALSMWBKZKN-SECBINFHSA-N 0 0 436.356 4.777 50 0 IJAARN COc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1F ZINC000024978406 557807033 /nfs/dbraw/zinc/80/70/33/557807033.db2.gz UVFVDIGTNSGIEJ-UHFFFAOYSA-N 0 0 445.487 4.567 50 0 IJAARN Cc1cc(I)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000851409 557831044 /nfs/dbraw/zinc/83/10/44/557831044.db2.gz CZYZUCCJCDNCTN-UHFFFAOYSA-N 0 0 436.076 4.924 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@@]1(C(=O)N(c3ccc(Cl)cc3)N=C1C)[C@@H]1CCCN21 ZINC000229559589 557832841 /nfs/dbraw/zinc/83/28/41/557832841.db2.gz GIDBLFMYQGUNMN-DHLKQENFSA-N 0 0 445.954 4.768 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Cl ZINC000230510889 557835354 /nfs/dbraw/zinc/83/53/54/557835354.db2.gz XPHZVOVSUKULDR-UHFFFAOYSA-N 0 0 438.867 4.972 50 0 IJAARN Cc1nn(CCC#N)c2c1P(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 ZINC000003175622 557841692 /nfs/dbraw/zinc/84/16/92/557841692.db2.gz BLHTZROTTGQJKU-ZNTNEXAZSA-N 0 0 439.503 4.893 50 0 IJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000000870495 557841716 /nfs/dbraw/zinc/84/17/16/557841716.db2.gz GMJORSROMHCREX-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN O=C([C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000034695455 557849150 /nfs/dbraw/zinc/84/91/50/557849150.db2.gz MRUAPBOEXVYBBQ-NRFANRHFSA-N 0 0 430.470 4.540 50 0 IJAARN CCCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001105775 562920520 /nfs/dbraw/zinc/92/05/20/562920520.db2.gz RMYXDHJUWXSPPI-UHFFFAOYSA-N 0 0 432.428 4.996 50 0 aggregator,biogenic IJAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000003006416 562931585 /nfs/dbraw/zinc/93/15/85/562931585.db2.gz GFKIGUZSGGHTKS-DEOSSOPVSA-N 0 0 447.531 4.839 50 0 IJAARN CCOc1cc2[n-]c(=S)n(C3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OCC ZINC000003010187 562931709 /nfs/dbraw/zinc/93/17/09/562931709.db2.gz BYZRUFPDIGIPLF-UHFFFAOYSA-N 0 0 439.581 4.694 50 0 IJAARN CCOC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003028670 562931876 /nfs/dbraw/zinc/93/18/76/562931876.db2.gz WYNBPYMFGATBTH-UHFFFAOYSA-N 0 0 445.487 4.533 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2F)c1 ZINC000003031603 562931930 /nfs/dbraw/zinc/93/19/30/562931930.db2.gz ANYRROIODVIJMW-UHFFFAOYSA-N 0 0 430.545 4.864 50 0 IJAARN C[C@@H](NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000003234574 562933114 /nfs/dbraw/zinc/93/31/14/562933114.db2.gz ZQNCWRZFONRYBD-QGZVFWFLSA-N 0 0 431.517 4.635 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 ZINC000003368980 562934971 /nfs/dbraw/zinc/93/49/71/562934971.db2.gz RGLOQDFUVMSPNB-UHFFFAOYSA-N 0 0 445.519 4.744 50 0 aggregator IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)cc2)nc1C ZINC000003643179 562937254 /nfs/dbraw/zinc/93/72/54/562937254.db2.gz BANRPVHJDYCESA-LJQANCHMSA-N 0 0 430.485 4.819 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)c2cccc(OCC)c2)cc1OCCC ZINC000006811511 562948372 /nfs/dbraw/zinc/94/83/72/562948372.db2.gz UUEZTVVASYFTRS-UHFFFAOYSA-N 0 0 425.485 4.965 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000008583297 562949724 /nfs/dbraw/zinc/94/97/24/562949724.db2.gz XBLIVICWXPDIEB-UHFFFAOYSA-N 0 0 430.501 4.697 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c1OC ZINC000008587217 562950253 /nfs/dbraw/zinc/95/02/53/562950253.db2.gz PORMGTCBJIKOHK-NRFANRHFSA-N 0 0 443.956 4.934 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCN1c2cccnc2Sc2ccccc2C1=O ZINC000008588841 562950849 /nfs/dbraw/zinc/95/08/49/562950849.db2.gz QGRLQASYMFNVLV-UHFFFAOYSA-N 0 0 439.924 4.884 50 0 IJAARN CCc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)cc1 ZINC000008589297 562951167 /nfs/dbraw/zinc/95/11/67/562951167.db2.gz PSIYDIQNABZNDM-UHFFFAOYSA-N 0 0 449.561 4.786 50 0 IJAARN O=C(CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O)NCc1ccc(F)cc1 ZINC000008590510 562951713 /nfs/dbraw/zinc/95/17/13/562951713.db2.gz CZBCLEVOJURFAA-UHFFFAOYSA-N 0 0 439.874 4.723 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008593103 562952545 /nfs/dbraw/zinc/95/25/45/562952545.db2.gz OFCPKYHSGXECAB-QHCPKHFHSA-N 0 0 446.478 4.728 50 0 IJAARN COc1ccc2c(c1)n(Cc1cccc(F)c1)c(C(=O)[O-])c2C[NH2+]CCc1cccs1 ZINC000008593450 562952702 /nfs/dbraw/zinc/95/27/02/562952702.db2.gz HYAPJJSLCUEXTQ-UHFFFAOYSA-N 0 0 438.524 4.929 50 0 IJAARN Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 ZINC000008596823 562953884 /nfs/dbraw/zinc/95/38/84/562953884.db2.gz OXJMWCBKGWMHAF-UHFFFAOYSA-N 0 0 448.947 4.544 50 0 IJAARN Cc1nn2c(ncc(C(=O)NCc3cccc(Br)c3)c2C)c1-c1ccccc1 ZINC000008603378 562956003 /nfs/dbraw/zinc/95/60/03/562956003.db2.gz XRQINNNUQCUAGR-UHFFFAOYSA-N 0 0 435.325 4.706 50 0 IJAARN Cc1cccc(Cn2c3c4ccccc4sc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000008603855 562956109 /nfs/dbraw/zinc/95/61/09/562956109.db2.gz NOEOOKHIDHWSHX-UHFFFAOYSA-N 0 0 426.541 4.977 50 0 IJAARN O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2)Nc1ccc(F)c(Cl)c1 ZINC000008611303 562958489 /nfs/dbraw/zinc/95/84/89/562958489.db2.gz NMCGBJJDPYSIGI-UHFFFAOYSA-N 0 0 445.897 4.939 50 0 IJAARN CCn1cc2nc(SCc3cc(C)ccc3C)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000008619194 562959790 /nfs/dbraw/zinc/95/97/90/562959790.db2.gz PYPQINBPKDHSSD-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN COc1cc(N[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc(OC)c1OC ZINC000008685446 562962452 /nfs/dbraw/zinc/96/24/52/562962452.db2.gz YCFAVEFIPXYTNW-QHCPKHFHSA-N 0 0 434.492 4.707 50 0 IJAARN COc1cc(N[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc(OC)c1OC ZINC000008685445 562962476 /nfs/dbraw/zinc/96/24/76/562962476.db2.gz YCFAVEFIPXYTNW-HSZRJFAPSA-N 0 0 434.492 4.707 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc2C)c(C)c1 ZINC000008686957 562962941 /nfs/dbraw/zinc/96/29/41/562962941.db2.gz MLPIZABXQXCIMW-LJQANCHMSA-N 0 0 438.549 4.819 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000008691971 562963520 /nfs/dbraw/zinc/96/35/20/562963520.db2.gz MNUQVXHSJISGBD-UHFFFAOYSA-N 0 0 436.489 4.739 50 0 IJAARN O=C(Cc1cccs1)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000008855231 562965121 /nfs/dbraw/zinc/96/51/21/562965121.db2.gz PHMYVUYLBHUTHF-UHFFFAOYSA-N 0 0 426.386 4.836 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N=C(C)c2cc(Cl)ccc2S3)CC1 ZINC000009608051 562974008 /nfs/dbraw/zinc/97/40/08/562974008.db2.gz FXBWFCIAUDVWIG-UHFFFAOYSA-N 0 0 443.956 4.860 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N=C(CC)c2cc(C)ccc2S3)CC1 ZINC000009608089 562974011 /nfs/dbraw/zinc/97/40/11/562974011.db2.gz PMKZQRQLJRBVPI-UHFFFAOYSA-N 0 0 437.565 4.905 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)s1 ZINC000012987440 562983853 /nfs/dbraw/zinc/98/38/53/562983853.db2.gz ZEJDGPFCFJVVHD-UHFFFAOYSA-N 0 0 431.920 4.551 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000015935601 563018734 /nfs/dbraw/zinc/01/87/34/563018734.db2.gz LOUCVMNQSMSTMZ-UHFFFAOYSA-N 0 0 444.963 4.532 50 0 IJAARN C[C@@H](NC(=O)Cc1cccs1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288912 563024486 /nfs/dbraw/zinc/02/44/86/563024486.db2.gz OPSSRDBGRZEICH-HXOBKFHXSA-N 0 0 443.613 4.559 50 0 IJAARN CCN(Cc1cccc(F)c1)C(=O)CSc1nc2cc(Cl)ccc2n1CCOC ZINC000023053745 568615499 /nfs/dbraw/zinc/61/54/99/568615499.db2.gz YMOLNPFWHISVFJ-UHFFFAOYSA-N 0 0 435.952 4.616 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984830 568623474 /nfs/dbraw/zinc/62/34/74/568623474.db2.gz BEOUDJBUXCHTII-JWQCQUIFSA-N 0 0 448.538 4.569 50 0 IJAARN CC(C)(C)OC[C@@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984747 568623520 /nfs/dbraw/zinc/62/35/20/568623520.db2.gz ARVIHJOVPBUPGR-LEWJYISDSA-N 0 0 448.966 4.650 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccccc2Br)cc1 ZINC000018941004 568627731 /nfs/dbraw/zinc/62/77/31/568627731.db2.gz JFVXTBIJBYAETQ-UHFFFAOYSA-N 0 0 445.382 4.798 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000025085698 568635686 /nfs/dbraw/zinc/63/56/86/568635686.db2.gz APYUZVOWBPZXBM-UHFFFAOYSA-N 0 0 444.466 4.624 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCCC3)n2)cc1 ZINC000000920444 568637357 /nfs/dbraw/zinc/63/73/57/568637357.db2.gz VTUWBFRJWJBTRN-UHFFFAOYSA-N 0 0 425.476 4.666 50 0 IJAARN Cc1sc2ncn3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)nnc3c2c1C ZINC000000925321 568637828 /nfs/dbraw/zinc/63/78/28/568637828.db2.gz JVBFBORVWKZBJO-UHFFFAOYSA-N 0 0 437.472 4.705 50 0 IJAARN COc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O ZINC000000941408 568641622 /nfs/dbraw/zinc/64/16/22/568641622.db2.gz XSSXDLXEJWYDLS-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN O=C(NCCc1ccccc1)c1cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000000941564 568641699 /nfs/dbraw/zinc/64/16/99/568641699.db2.gz NDMGPJPULXEZMG-UHFFFAOYSA-N 0 0 447.874 4.638 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000086057225 568642410 /nfs/dbraw/zinc/64/24/10/568642410.db2.gz AKXSBGRTRYVLSX-LJQANCHMSA-N 0 0 435.549 4.634 50 0 IJAARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C ZINC000253595724 568643862 /nfs/dbraw/zinc/64/38/62/568643862.db2.gz HVUYZRAQHFYMES-ZDKYERLUSA-N 0 0 446.584 4.603 50 0 IJAARN COc1ccccc1N(Cc1nc2nc(C)cc(C)n2n1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000086066502 568644366 /nfs/dbraw/zinc/64/43/66/568644366.db2.gz CCIFKWLJDCULDL-UHFFFAOYSA-N 0 0 443.551 4.894 50 0 IJAARN Cc1ccc(NC(=O)NC(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)cc1C ZINC000001079839 568656896 /nfs/dbraw/zinc/65/68/96/568656896.db2.gz WJBDPTAUXYNYIX-UHFFFAOYSA-N 0 0 447.379 4.605 50 0 IJAARN COCCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000034711650 568732586 /nfs/dbraw/zinc/73/25/86/568732586.db2.gz NJUOJDSVJPBRQV-UHFFFAOYSA-N 0 0 436.455 4.784 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000034731105 568737563 /nfs/dbraw/zinc/73/75/63/568737563.db2.gz BMRZIOXRTCGLTR-RPBOFIJWSA-N 0 0 448.607 4.832 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2cc(OC)cc(OC)c2)CC[C@H]1c1ccccc1 ZINC000034733237 568737581 /nfs/dbraw/zinc/73/75/81/568737581.db2.gz AMWSRIQZQGOMBJ-XXBNENTESA-N 0 0 439.556 4.605 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCCC(C)C)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000005830227 568737793 /nfs/dbraw/zinc/73/77/93/568737793.db2.gz WCJSQYATMBZVJM-XLIONFOSSA-N 0 0 430.618 4.959 50 0 IJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000003225570 568743164 /nfs/dbraw/zinc/74/31/64/568743164.db2.gz UYRZDXPCYCRJQN-UHFFFAOYSA-N 0 0 433.304 4.722 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)CCCOc1ccccc1)oc1ccccc12 ZINC000003281125 568745000 /nfs/dbraw/zinc/74/50/00/568745000.db2.gz ZPQCJFTXGWBOHK-UHFFFAOYSA-N 0 0 433.460 4.936 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000003288296 568745192 /nfs/dbraw/zinc/74/51/92/568745192.db2.gz POYDPGDHNTXQEQ-UHFFFAOYSA-N 0 0 427.884 4.616 50 0 IJAARN Cc1ccc(C(=O)[C@H](OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c2ccc(C)cc2)cc1 ZINC000003307524 568745610 /nfs/dbraw/zinc/74/56/10/568745610.db2.gz AUYHPVFMYIUIGB-AREMUKBSSA-N 0 0 440.499 4.640 50 0 IJAARN CC(C)C[C@@H](C(=O)OCc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O ZINC000003331285 568746234 /nfs/dbraw/zinc/74/62/34/568746234.db2.gz SAXBGTAERWPOHO-FQEVSTJZSA-N 0 0 434.517 4.564 50 0 IJAARN Cc1ccc(P(=Nc2c(Cl)cccc2Cl)(N2CCOCC2)N2CCOCC2)o1 ZINC000012559432 568747076 /nfs/dbraw/zinc/74/70/76/568747076.db2.gz BBCRZFNCNKMDIU-UHFFFAOYSA-N 0 0 444.299 4.547 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 ZINC000003398697 568748580 /nfs/dbraw/zinc/74/85/80/568748580.db2.gz HDPQEDUXODUVHZ-UHFFFAOYSA-N 0 0 449.326 4.851 50 0 IJAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(Cl)c(F)c4)no3)n2)c1 ZINC000044169534 568749025 /nfs/dbraw/zinc/74/90/25/568749025.db2.gz COUHJBXTTLMUNI-UHFFFAOYSA-N 0 0 444.875 4.993 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000003442535 568749671 /nfs/dbraw/zinc/74/96/71/568749671.db2.gz MFSIMJJLVCNWSX-UHFFFAOYSA-N 0 0 431.513 4.734 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1C ZINC000003504157 568750363 /nfs/dbraw/zinc/75/03/63/568750363.db2.gz LZDADFOEGHMFOA-UHFFFAOYSA-N 0 0 445.928 4.541 50 0 IJAARN Nn1c(CSc2nc3ccccc3s2)nnc1CSc1nc2ccccc2s1 ZINC000003624800 568751875 /nfs/dbraw/zinc/75/18/75/568751875.db2.gz IFFDSRHSEIMHTN-UHFFFAOYSA-N 0 0 442.620 4.796 50 0 IJAARN Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)c2cccc(-c4ccco4)c2)C3)n1 ZINC000299762527 568755943 /nfs/dbraw/zinc/75/59/43/568755943.db2.gz MYAWZCLWIJYOQG-NRFANRHFSA-N 0 0 443.478 4.893 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCc1cc2cc(F)ccc2[nH]1 ZINC000299767391 568756419 /nfs/dbraw/zinc/75/64/19/568756419.db2.gz KLQUZZUHAPOACR-MHZLTWQESA-N 0 0 443.522 4.748 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc2c1OCCO2 ZINC000263585115 568758953 /nfs/dbraw/zinc/75/89/53/568758953.db2.gz FGSBJZKEWJNXCP-LJQANCHMSA-N 0 0 440.499 4.944 50 0 biogenic IJAARN COc1ccc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263586049 568759289 /nfs/dbraw/zinc/75/92/89/568759289.db2.gz PFHNMVHBGDFWOD-DEOSSOPVSA-N 0 0 443.547 4.896 50 0 biogenic IJAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3[nH]ccc32)c2ccccc21 ZINC000263586584 568759306 /nfs/dbraw/zinc/75/93/06/568759306.db2.gz VYPNBDXFPLHOJG-NRFANRHFSA-N 0 0 432.524 4.734 50 0 biogenic IJAARN CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000015363999 568760378 /nfs/dbraw/zinc/76/03/78/568760378.db2.gz HTLFFCUMSBNWGN-UHFFFAOYSA-N 0 0 432.895 4.780 50 0 IJAARN Cc1cc(C)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000015391052 568761331 /nfs/dbraw/zinc/76/13/31/568761331.db2.gz SWOHBVNZJBTFFM-LJQANCHMSA-N 0 0 434.989 4.837 50 0 IJAARN O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4OCc4ccc(F)cc4)nn21)CCC3 ZINC000012651078 568774361 /nfs/dbraw/zinc/77/43/61/568774361.db2.gz GZAIDSCOAKGZAJ-UHFFFAOYSA-N 0 0 432.480 4.506 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)ccc1O ZINC000001279394 568775995 /nfs/dbraw/zinc/77/59/95/568775995.db2.gz RYAJLRGEXKQEIZ-OAQYLSRUSA-N 0 0 448.862 4.614 50 0 IJAARN FC(F)(F)Oc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)cc1 ZINC000263618107 568778052 /nfs/dbraw/zinc/77/80/52/568778052.db2.gz RHBSQWLOIORJJD-KRWDZBQOSA-N 0 0 428.370 4.770 50 0 IJAARN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O)C(=O)c1ccccc1 ZINC000001159480 568788211 /nfs/dbraw/zinc/78/82/11/568788211.db2.gz FJUSAKOUHONNAB-QFIPXVFZSA-N 0 0 427.456 4.614 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000084068070 568791248 /nfs/dbraw/zinc/79/12/48/568791248.db2.gz UKAIWPDLNYMJGV-CHWSQXEVSA-N 0 0 430.517 4.750 50 0 IJAARN CCNc1nc(NC(C)(C)C)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001419237 568791254 /nfs/dbraw/zinc/79/12/54/568791254.db2.gz QKGJVQVPAJCZDO-JTQLQIEISA-N 0 0 443.404 4.940 50 0 IJAARN C[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NCc1ccccc1 ZINC000001425328 568793801 /nfs/dbraw/zinc/79/38/01/568793801.db2.gz NKVOCSCXBJQULQ-BYXVTNLJSA-N 0 0 445.902 4.548 50 0 IJAARN C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)[C@@H](O)c1ccc(Br)cc1 ZINC000084139749 568794574 /nfs/dbraw/zinc/79/45/74/568794574.db2.gz LLFFSSSNTUGMHW-MEBBXXQBSA-N 0 0 426.236 4.945 50 0 IJAARN COc1ccc(Br)cc1-c1nc(Cn2nc(C)nc2-c2ccccn2)cs1 ZINC000084280414 568796829 /nfs/dbraw/zinc/79/68/29/568796829.db2.gz WHYBIMCKUUCELB-UHFFFAOYSA-N 0 0 442.342 4.591 50 0 IJAARN CC(C)[C@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000084456595 568798250 /nfs/dbraw/zinc/79/82/50/568798250.db2.gz GMAAOYSSCIMURX-QGZVFWFLSA-N 0 0 428.627 4.877 50 0 IJAARN CCS[C@@H](C)c1noc(CN(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000084811756 568801765 /nfs/dbraw/zinc/80/17/65/568801765.db2.gz NLHOKQWPHVUSGO-KRWDZBQOSA-N 0 0 440.569 4.533 50 0 IJAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nncc(-c3ccc(C)cc3)n2)cc1 ZINC000015670120 568802124 /nfs/dbraw/zinc/80/21/24/568802124.db2.gz SCPKFTJOFKFSAU-IBGZPJMESA-N 0 0 442.548 4.537 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(c1cccc(F)c1)C2=O ZINC000015676564 568804203 /nfs/dbraw/zinc/80/42/03/568804203.db2.gz ULDSFRMHCUOPDD-VWLOTQADSA-N 0 0 440.563 4.794 50 0 IJAARN CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCCC2)N(CC)C3=O)cc1 ZINC000015676809 568804439 /nfs/dbraw/zinc/80/44/39/568804439.db2.gz LGXRXPKVNQKEOY-AREMUKBSSA-N 0 0 436.600 4.576 50 0 IJAARN COc1cc(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)cc(OC)c1OC ZINC000015679057 568805493 /nfs/dbraw/zinc/80/54/93/568805493.db2.gz XIFQUUSKVRHJHA-UHFFFAOYSA-N 0 0 439.487 4.694 50 0 IJAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000015680793 568806560 /nfs/dbraw/zinc/80/65/60/568806560.db2.gz WCBMGNDAVXILMP-UHFFFAOYSA-N 0 0 432.545 4.816 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000015682271 568807131 /nfs/dbraw/zinc/80/71/31/568807131.db2.gz KXYQOCCAOWUPAU-JGCGQSQUSA-N 0 0 445.544 4.591 50 0 IJAARN CCOc1ccc([C@H](CC(=O)NC2CCCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721325 568811921 /nfs/dbraw/zinc/81/19/21/568811921.db2.gz GKHZNXAQSOFQGW-QFIPXVFZSA-N 0 0 436.552 4.630 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733390 568815728 /nfs/dbraw/zinc/81/57/28/568815728.db2.gz IPUPCNVXZPRGIN-IBGZPJMESA-N 0 0 427.504 4.920 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCCn1nc(-n2cccc2)c2c1nc(C)cc2C ZINC000015735978 568816980 /nfs/dbraw/zinc/81/69/80/568816980.db2.gz DVIYBBXJNYCTMI-UHFFFAOYSA-N 0 0 437.931 4.920 50 0 IJAARN CSc1nc(C)cc(O[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)n1 ZINC000001447761 568817701 /nfs/dbraw/zinc/81/77/01/568817701.db2.gz WCYGKEHKNXMRTJ-ZDUSSCGKSA-N 0 0 441.167 4.665 50 0 IJAARN COCCNC(=O)CCc1c(-c2cccc(OC)c2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000085409197 568817809 /nfs/dbraw/zinc/81/78/09/568817809.db2.gz WPACRLWOBYMQTB-UHFFFAOYSA-N 0 0 443.547 4.681 50 0 IJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc2c1OCCO2 ZINC000085412392 568818405 /nfs/dbraw/zinc/81/84/05/568818405.db2.gz VMDHHQUSQJARHD-FQEVSTJZSA-N 0 0 429.542 4.738 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000015773912 568823030 /nfs/dbraw/zinc/82/30/30/568823030.db2.gz WUHQZAJIMRZMNL-QHCPKHFHSA-N 0 0 430.504 4.694 50 0 IJAARN CCN(CCC[NH2+]Cc1c(C)n(Cc2ccc(F)cc2)c(C)c1C(=O)[O-])c1ccccc1 ZINC000015776926 568823614 /nfs/dbraw/zinc/82/36/14/568823614.db2.gz ZQNSHWRKEXMBNW-UHFFFAOYSA-N 0 0 437.559 4.997 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000026042463 568826595 /nfs/dbraw/zinc/82/65/95/568826595.db2.gz WAUYHIXKSYGSEK-OAHLLOKOSA-N 0 0 427.957 4.568 50 0 IJAARN CCOc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)cc1 ZINC000085644252 568829258 /nfs/dbraw/zinc/82/92/58/568829258.db2.gz YLHBNYQEOVCRPU-UHFFFAOYSA-N 0 0 442.468 4.649 50 0 IJAARN CCCCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Cl)no3)n2)cc1 ZINC000085644390 568829479 /nfs/dbraw/zinc/82/94/79/568829479.db2.gz UKGAZDOBLXRUMV-UHFFFAOYSA-N 0 0 436.899 4.841 50 0 IJAARN CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)c1ccccc1S2 ZINC000015784898 568829812 /nfs/dbraw/zinc/82/98/12/568829812.db2.gz FIRAKVRZNIIJEE-UHFFFAOYSA-N 0 0 446.528 4.922 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085649225 568830760 /nfs/dbraw/zinc/83/07/60/568830760.db2.gz AWNJTFGTZPRZMP-UHFFFAOYSA-N 0 0 432.543 4.939 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)c1 ZINC000085649556 568831067 /nfs/dbraw/zinc/83/10/67/568831067.db2.gz CASZOHKYBCYYMK-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN O=C(c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000085649845 568831243 /nfs/dbraw/zinc/83/12/43/568831243.db2.gz BTZIYHLJMZANNN-UHFFFAOYSA-N 0 0 449.558 4.845 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)c1 ZINC000085649897 568831250 /nfs/dbraw/zinc/83/12/50/568831250.db2.gz NFHDZTJBZTXOMH-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN COc1cc(Nc2nc(C(=O)NCc3ccc(C)cc3)cc3occc32)cc(OC)c1OC ZINC000085651325 568831843 /nfs/dbraw/zinc/83/18/43/568831843.db2.gz BYSWSACKXOEIAC-UHFFFAOYSA-N 0 0 447.491 4.836 50 0 IJAARN CC(C)(C)C1CCC(CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)(n2cccc2)CC1 ZINC000085878661 568838505 /nfs/dbraw/zinc/83/85/05/568838505.db2.gz HHUBVOMUZLNONT-GKUXXJBQSA-N 0 0 435.612 4.617 50 0 IJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1Cc1ccccc1 ZINC000004542352 568841752 /nfs/dbraw/zinc/84/17/52/568841752.db2.gz YRNYBJYBBSUVQI-UHFFFAOYSA-N 0 0 438.314 4.933 50 0 IJAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000015833389 568842398 /nfs/dbraw/zinc/84/23/98/568842398.db2.gz OKONBUSLMSHMGA-UHFFFAOYSA-N 0 0 447.560 4.879 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)c1 ZINC000015860597 568847777 /nfs/dbraw/zinc/84/77/77/568847777.db2.gz HLJNTZGIFVAQAG-UHFFFAOYSA-N 0 0 442.544 4.841 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(OCC)cc3)cc2s1 ZINC000015861850 568848261 /nfs/dbraw/zinc/84/82/61/568848261.db2.gz VPLLOHAQAJVTCO-UHFFFAOYSA-N 0 0 425.554 4.683 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(C(=O)c3ccnc(-c4ccccc4)c3)CC2)cc1 ZINC000015864378 568849563 /nfs/dbraw/zinc/84/95/63/568849563.db2.gz SBVAMGHZIYMNSQ-UHFFFAOYSA-N 0 0 445.588 4.639 50 0 IJAARN O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864335 568849740 /nfs/dbraw/zinc/84/97/40/568849740.db2.gz NTRDLPNVANKTBZ-UHFFFAOYSA-N 0 0 433.939 4.571 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000015865441 568850154 /nfs/dbraw/zinc/85/01/54/568850154.db2.gz HIYRBJIHUPTGSP-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000015865478 568850554 /nfs/dbraw/zinc/85/05/54/568850554.db2.gz PVHGZLDMPORZEV-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NC4CCCCCC4)CC3)[nH]c2c1 ZINC000015868595 568852012 /nfs/dbraw/zinc/85/20/12/568852012.db2.gz UIOHRYASPYTZHP-KRWDZBQOSA-N 0 0 425.573 4.504 50 0 IJAARN O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)Nc1cccc(Cl)c1 ZINC000015880690 568854235 /nfs/dbraw/zinc/85/42/35/568854235.db2.gz JHJHCLXLFBPQFE-UHFFFAOYSA-N 0 0 426.929 4.962 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccccc1Cl ZINC000015880619 568854857 /nfs/dbraw/zinc/85/48/57/568854857.db2.gz PPYNIXQMURQQOK-UHFFFAOYSA-N 0 0 435.336 4.953 50 0 IJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000015883370 568857664 /nfs/dbraw/zinc/85/76/64/568857664.db2.gz FLEIYQUUBLRWLO-INIZCTEOSA-N 0 0 445.469 4.705 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000015967636 568861265 /nfs/dbraw/zinc/86/12/65/568861265.db2.gz RLTGWMLPCJVTIM-ISKFKSNPSA-N 0 0 441.918 4.608 50 0 IJAARN CC(=O)Nc1cccc(-n2c(SC[C@H](O)c3ccc(Cl)cc3)nnc2C2CC2)c1 ZINC000026142181 568864928 /nfs/dbraw/zinc/86/49/28/568864928.db2.gz RFJTYKRLIVBUIN-IBGZPJMESA-N 0 0 428.945 4.582 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(C)cc3)C2)c2ccccc12 ZINC000012938966 568867871 /nfs/dbraw/zinc/86/78/71/568867871.db2.gz UFEXYOXOEUPUKA-OAQYLSRUSA-N 0 0 430.548 4.668 50 0 IJAARN COc1ccc(NC(=O)c2nnc(CSc3nc(C)cc(-c4ccccc4)n3)s2)cc1 ZINC000012939611 568868627 /nfs/dbraw/zinc/86/86/27/568868627.db2.gz DXSVDNHOCWQMGO-UHFFFAOYSA-N 0 0 449.561 4.857 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1nc(-c2ccncc2)no1 ZINC000012939757 568868660 /nfs/dbraw/zinc/86/86/60/568868660.db2.gz ZWNBCMLIILPDQZ-MRXNPFEDSA-N 0 0 441.520 4.687 50 0 IJAARN COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)Nc1ccc(Cl)cc1 ZINC000000638968 568880143 /nfs/dbraw/zinc/88/01/43/568880143.db2.gz VUEZMDHVJCXKTF-UHFFFAOYSA-N 0 0 436.851 4.571 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478148 568882544 /nfs/dbraw/zinc/88/25/44/568882544.db2.gz DRVRKZVBKMMSGK-UHFFFAOYSA-N 0 0 430.277 4.658 50 0 IJAARN CCOc1cccc2cc(C(=O)NCc3sc(-c4ccccc4F)nc3C)c(=O)oc21 ZINC000090592905 568888767 /nfs/dbraw/zinc/88/87/67/568888767.db2.gz BOHYDWZEVLCRHB-UHFFFAOYSA-N 0 0 438.480 4.693 50 0 IJAARN Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607152 568889725 /nfs/dbraw/zinc/88/97/25/568889725.db2.gz YXDYAHLWEGDYPT-UHFFFAOYSA-N 0 0 430.961 4.501 50 0 IJAARN CCCOc1c(Br)cc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cc1OC ZINC000012974391 568889882 /nfs/dbraw/zinc/88/98/82/568889882.db2.gz YNLPIXUCHGFCOM-UHFFFAOYSA-N 0 0 440.309 4.666 50 0 IJAARN CN(C(=O)CSc1nncn1CCc1cccs1)C(c1ccccc1)c1ccccc1 ZINC000012977540 568891109 /nfs/dbraw/zinc/89/11/09/568891109.db2.gz MTMLOFJIRFUTAS-UHFFFAOYSA-N 0 0 448.617 4.922 50 0 IJAARN CN1C(=O)c2ccc(NC(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)cc2C1=O ZINC000012978802 568891805 /nfs/dbraw/zinc/89/18/05/568891805.db2.gz SFVQBRZBEZGRGO-UHFFFAOYSA-N 0 0 446.315 4.524 50 0 IJAARN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012981562 568894685 /nfs/dbraw/zinc/89/46/85/568894685.db2.gz NTNUZAQHUPMMJH-UHFFFAOYSA-N 0 0 442.987 4.685 50 0 IJAARN O=S(=O)(c1ccccc1Br)N(CCc1cccs1)Cc1ccoc1 ZINC000090748762 568898338 /nfs/dbraw/zinc/89/83/38/568898338.db2.gz RONRAOOSDSXVOB-UHFFFAOYSA-N 0 0 426.357 4.537 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)n1 ZINC000013009270 568899718 /nfs/dbraw/zinc/89/97/18/568899718.db2.gz XPXWEDDEEOVCKO-YJBOKZPZSA-N 0 0 443.573 4.712 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccc2OC)n1 ZINC000013012883 568901135 /nfs/dbraw/zinc/90/11/35/568901135.db2.gz FUGPIIJZYHOCIS-HNNXBMFYSA-N 0 0 436.537 4.892 50 0 IJAARN CCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OC)cc32)c1 ZINC000001775446 568906587 /nfs/dbraw/zinc/90/65/87/568906587.db2.gz NSASFTWHEGFDGZ-UHFFFAOYSA-N 0 0 436.464 4.509 50 0 biogenic IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000238900002 568910280 /nfs/dbraw/zinc/91/02/80/568910280.db2.gz HPEUIIQOVQZUHQ-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245255835 568913833 /nfs/dbraw/zinc/91/38/33/568913833.db2.gz LQKZKLFCIIATAJ-PRMJJDQESA-N 0 0 448.950 4.597 50 0 IJAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000245309778 568914373 /nfs/dbraw/zinc/91/43/73/568914373.db2.gz GHKRNQYQZXZPOV-UBFVSLLYSA-N 0 0 442.515 4.917 50 0 IJAARN CC/C(=C/c1sc2cc(OC)c3ccsc3c2[n+]1CCCS(=O)(=O)[O-])SC ZINC000001881866 568917529 /nfs/dbraw/zinc/91/75/29/568917529.db2.gz IZTLGIIUMNPMMF-BENRWUELSA-O 0 0 444.645 4.804 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000016572433 568922334 /nfs/dbraw/zinc/92/23/34/568922334.db2.gz ASSMMRZAVWVPKK-QFBILLFUSA-N 0 0 437.569 4.997 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000001953791 568923720 /nfs/dbraw/zinc/92/37/20/568923720.db2.gz UMGQFUMWYVMXAW-UHFFFAOYSA-N 0 0 441.890 4.642 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)c2)c1 ZINC000001954160 568923893 /nfs/dbraw/zinc/92/38/93/568923893.db2.gz PJSVWJYQYRGGTK-UHFFFAOYSA-N 0 0 437.927 4.811 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn([C@@H](C)C(=O)Nc3ccccc3)c(=O)c12 ZINC000001980425 568924206 /nfs/dbraw/zinc/92/42/06/568924206.db2.gz NCILXDBECKFPHW-INIZCTEOSA-N 0 0 446.532 4.527 50 0 IJAARN COc1cc(COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc(OC)c1OC ZINC000001156106 568924832 /nfs/dbraw/zinc/92/48/32/568924832.db2.gz SAFFARZPUIOXQH-UHFFFAOYSA-N 0 0 430.884 4.930 50 0 biogenic IJAARN Cc1c(Cl)c(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1Br ZINC000252598961 568925910 /nfs/dbraw/zinc/92/59/10/568925910.db2.gz DFQPDLLHFRXJBH-UHFFFAOYSA-N 0 0 443.641 4.687 50 0 IJAARN O=[N+]([O-])c1ccc(N=NC(CSc2nc3ccccc3[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000252622427 568926115 /nfs/dbraw/zinc/92/61/15/568926115.db2.gz NUZHEKCCTFNKNL-UHFFFAOYSA-N 0 0 448.464 4.988 50 0 IJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)cc1OC ZINC000064450234 568928675 /nfs/dbraw/zinc/92/86/75/568928675.db2.gz RFILQDQMDRLTHD-HXUWFJFHSA-N 0 0 447.535 4.849 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCc3ccc(C)c(C)c3)C2)cc1 ZINC000064452396 568929267 /nfs/dbraw/zinc/92/92/67/568929267.db2.gz KOKOGWYKWWCLQV-QFIPXVFZSA-N 0 0 430.552 4.727 50 0 IJAARN COc1cc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(C)c(C)c3)c2cc1OC ZINC000064474120 568930125 /nfs/dbraw/zinc/93/01/25/568930125.db2.gz WSXJKCKSFHDZDD-UHFFFAOYSA-N 0 0 437.565 4.801 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)NCCC1=CCCCC1 ZINC000006531318 568930786 /nfs/dbraw/zinc/93/07/86/568930786.db2.gz CBDDPWRRZZVVTR-QGZVFWFLSA-N 0 0 425.598 4.999 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)NCCC1=CCCCC1 ZINC000006531317 568930805 /nfs/dbraw/zinc/93/08/05/568930805.db2.gz CBDDPWRRZZVVTR-KRWDZBQOSA-N 0 0 425.598 4.999 50 0 IJAARN Cn1nc(COc2ccccc2)c2c1CCN(C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000064565949 568932827 /nfs/dbraw/zinc/93/28/27/568932827.db2.gz ZAIPSRGJPBHBMK-UHFFFAOYSA-N 0 0 431.323 4.896 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1 ZINC000064568573 568933863 /nfs/dbraw/zinc/93/38/63/568933863.db2.gz HWFJPGNSVHQNON-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)NC(C)(C)C ZINC000035977993 568936354 /nfs/dbraw/zinc/93/63/54/568936354.db2.gz QMUPKKILOZRURK-UHFFFAOYSA-N 0 0 436.556 4.836 50 0 IJAARN C[C@@H]1C[C@H](C)C[N@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000016689792 568938238 /nfs/dbraw/zinc/93/82/38/568938238.db2.gz UGBMOBXBDYNTMY-IYOUNJFTSA-N 0 0 426.517 4.963 50 0 IJAARN Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)n1-c1nccs1 ZINC000089580154 568938775 /nfs/dbraw/zinc/93/87/75/568938775.db2.gz MAEZRAUDNWTSDX-WMZOPIPTSA-N 0 0 435.471 4.518 50 0 IJAARN O=c1nc(N2CCN(c3ccccc3Cl)CC2)[nH]c2c(-c3ccc(F)cc3)csc21 ZINC000064611593 568941631 /nfs/dbraw/zinc/94/16/31/568941631.db2.gz ZWGSPCOQADTURS-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n(C2CCCCC2)c1C ZINC000006647664 568943552 /nfs/dbraw/zinc/94/35/52/568943552.db2.gz ACGBIHMPKAUMLJ-OAHLLOKOSA-N 0 0 426.586 4.861 50 0 IJAARN Cc1cccc(N2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)c1C ZINC000064728485 568945611 /nfs/dbraw/zinc/94/56/11/568945611.db2.gz SWPPDLUAAOZYDZ-UHFFFAOYSA-N 0 0 438.579 4.614 50 0 IJAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)Cc2ccccc2)cc1 ZINC000036073092 568945718 /nfs/dbraw/zinc/94/57/18/568945718.db2.gz UTFJTOBVKYMUDP-UHFFFAOYSA-N 0 0 447.579 4.647 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(CC)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083574 568947233 /nfs/dbraw/zinc/94/72/33/568947233.db2.gz KIQREJUPCHMCLJ-QFIPXVFZSA-N 0 0 444.478 4.564 50 0 IJAARN CCOC(=O)C1=C(COc2cc(Cl)ccc2Cl)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036083569 568947240 /nfs/dbraw/zinc/94/72/40/568947240.db2.gz YBDNGSHMXAFDBF-FQEVSTJZSA-N 0 0 449.334 4.894 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083686 568947356 /nfs/dbraw/zinc/94/73/56/568947356.db2.gz XNDNLGYUCFADTL-QFIPXVFZSA-N 0 0 442.943 4.858 50 0 IJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)n1 ZINC000064747606 568950026 /nfs/dbraw/zinc/95/00/26/568950026.db2.gz ZTVGQDYFMCEVKF-INIZCTEOSA-N 0 0 443.301 4.877 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1cc(F)cc(F)c1 ZINC000064746984 568950222 /nfs/dbraw/zinc/95/02/22/568950222.db2.gz CYZQNDPNOAMFSJ-UHFFFAOYSA-N 0 0 448.454 4.590 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c(F)c1 ZINC000064746988 568950292 /nfs/dbraw/zinc/95/02/92/568950292.db2.gz MHNWWNJDQGZONC-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(C)cc4F)CC3=O)c2)cc1 ZINC000064754745 568950999 /nfs/dbraw/zinc/95/09/99/568950999.db2.gz ASPKPAQKBBOOQS-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN COc1cccc(-c2nc3cnccn3c2NCCC(=O)Nc2cc(F)ccc2Cl)c1 ZINC000064759193 568951879 /nfs/dbraw/zinc/95/18/79/568951879.db2.gz FRTWLWDJHRWRIB-UHFFFAOYSA-N 0 0 439.878 4.638 50 0 IJAARN CC(C)CN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000006696164 568952659 /nfs/dbraw/zinc/95/26/59/568952659.db2.gz YECRCPFAHCSLED-UHFFFAOYSA-N 0 0 427.614 4.780 50 0 IJAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036106252 568953729 /nfs/dbraw/zinc/95/37/29/568953729.db2.gz BOGPMEQJCIPVJS-UHFFFAOYSA-N 0 0 426.538 4.792 50 0 IJAARN Cc1cn2c(nc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2=O)s1 ZINC000064775697 568954730 /nfs/dbraw/zinc/95/47/30/568954730.db2.gz JOJQXIBTSNKJNA-UHFFFAOYSA-N 0 0 449.576 4.798 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccccc2F)C(C)C)cs1 ZINC000036114931 568955241 /nfs/dbraw/zinc/95/52/41/568955241.db2.gz JYZFZOKMSGAVOV-UHFFFAOYSA-N 0 0 444.528 4.929 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)[C@H](C)CC ZINC000036115723 568955577 /nfs/dbraw/zinc/95/55/77/568955577.db2.gz IDBXXTKZUHWYID-OXQOHEQNSA-N 0 0 449.016 4.943 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)CC ZINC000036116190 568955604 /nfs/dbraw/zinc/95/56/04/568955604.db2.gz PBQXPJMQSVMMIB-FQEVSTJZSA-N 0 0 449.016 4.863 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)CC1CC1 ZINC000036119208 568956134 /nfs/dbraw/zinc/95/61/34/568956134.db2.gz WFAKOHYBQDQXDH-NRFANRHFSA-N 0 0 440.609 4.518 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)C1CC1 ZINC000036118808 568956139 /nfs/dbraw/zinc/95/61/39/568956139.db2.gz TVNYXAUMXPSWSG-OAQYLSRUSA-N 0 0 440.609 4.518 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000006704483 568956779 /nfs/dbraw/zinc/95/67/79/568956779.db2.gz LWEXRKBUABTHMQ-JOCHJYFZSA-N 0 0 426.488 4.541 50 0 IJAARN CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(=O)C(C)C ZINC000036120276 568957142 /nfs/dbraw/zinc/95/71/42/568957142.db2.gz MNPASWMNRXMVNB-HXUWFJFHSA-N 0 0 446.588 4.533 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)c3ccc(F)cc3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791246 568957407 /nfs/dbraw/zinc/95/74/07/568957407.db2.gz GBYLCIWSUALUGB-UHFFFAOYSA-N 0 0 440.438 4.597 50 0 IJAARN Cc1cc(Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791475 568957606 /nfs/dbraw/zinc/95/76/06/568957606.db2.gz RESKHISYTKHZLF-UHFFFAOYSA-N 0 0 439.454 4.630 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120844 568957666 /nfs/dbraw/zinc/95/76/66/568957666.db2.gz VOJVWCLYCHRMLF-LAUBAEHRSA-N 0 0 446.588 4.675 50 0 IJAARN CC(C)COC[C@@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145979 568962270 /nfs/dbraw/zinc/96/22/70/568962270.db2.gz FAJVOJRUVQYTGQ-VXKWHMMOSA-N 0 0 448.966 4.508 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147072 568962363 /nfs/dbraw/zinc/96/23/63/568962363.db2.gz LOSFQGXQAVDBMR-RPBOFIJWSA-N 0 0 448.538 4.569 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815717 568963517 /nfs/dbraw/zinc/96/35/17/568963517.db2.gz HFNPAJVFJNGIKH-RUZDIDTESA-N 0 0 448.592 4.652 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SC(C)(C)CN2C(=O)c2ccco2)C1=O ZINC000036153027 568963866 /nfs/dbraw/zinc/96/38/66/568963866.db2.gz YNABPCMCPPTFKR-VWLOTQADSA-N 0 0 432.545 4.955 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3ccc(C)cc3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819587 568966558 /nfs/dbraw/zinc/96/65/58/568966558.db2.gz UUTXNBORJGAPCK-UHFFFAOYSA-N 0 0 440.547 4.852 50 0 IJAARN O=C(c1ccccc1)N1CCS[C@@]12c1cc(F)ccc1N(Cc1cccc(F)c1)C2=O ZINC000036165355 568968215 /nfs/dbraw/zinc/96/82/15/568968215.db2.gz SYZBTDIBNRUUBX-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN O=C(C1CCCC1)N1CCS[C@]12C(=O)N(Cc1ccccc1F)c1ccc(Cl)cc12 ZINC000036165490 568968389 /nfs/dbraw/zinc/96/83/89/568968389.db2.gz YMSAROLKGNNXJL-HSZRJFAPSA-N 0 0 444.959 4.944 50 0 IJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036166328 568968541 /nfs/dbraw/zinc/96/85/41/568968541.db2.gz CGKKJIVOASPYCK-HSZRJFAPSA-N 0 0 444.984 4.670 50 0 IJAARN CN(CCc1noc(-c2ccccc2F)n1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000064841390 568970053 /nfs/dbraw/zinc/97/00/53/568970053.db2.gz IACSOPAAAJTHJI-UHFFFAOYSA-N 0 0 443.544 4.787 50 0 IJAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1nc(-c2cccc(OC)c2)c2c(C)onc2c1=O ZINC000064842415 568970922 /nfs/dbraw/zinc/97/09/22/568970922.db2.gz AOEDGAYDICCCLA-HXUWFJFHSA-N 0 0 446.507 4.575 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000064847736 568971174 /nfs/dbraw/zinc/97/11/74/568971174.db2.gz AHKLEOUNCAQIHS-KRWDZBQOSA-N 0 0 425.529 4.531 50 0 IJAARN Cc1cccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064848117 568971518 /nfs/dbraw/zinc/97/15/18/568971518.db2.gz CIXGBVFJOLJNMN-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN O=C(CSCc1ccc(F)cc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000064848248 568971621 /nfs/dbraw/zinc/97/16/21/568971621.db2.gz HRTMBVVFRCLKSI-UHFFFAOYSA-N 0 0 439.531 4.932 50 0 biogenic IJAARN COc1ccc(CCC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064858583 568972180 /nfs/dbraw/zinc/97/21/80/568972180.db2.gz DLXQJASFYDHAFU-UHFFFAOYSA-N 0 0 429.564 4.979 50 0 biogenic IJAARN O=C(COc1ccc(F)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858505 568972277 /nfs/dbraw/zinc/97/22/77/568972277.db2.gz YBHVTCCLZMRAMN-UHFFFAOYSA-N 0 0 425.891 4.592 50 0 biogenic IJAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(OC)cc1 ZINC000064869590 568976394 /nfs/dbraw/zinc/97/63/94/568976394.db2.gz LVXMQYIZCSZWFG-HXUWFJFHSA-N 0 0 439.537 4.748 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1Cl ZINC000064872987 568978079 /nfs/dbraw/zinc/97/80/79/568978079.db2.gz KSHFDVSCIUMHQO-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1 ZINC000064872714 568978113 /nfs/dbraw/zinc/97/81/13/568978113.db2.gz KOAQPWPAYWMCJK-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(-n2nc(OCc3cccc(C)c3)ccc2=O)cc1 ZINC000064873212 568978248 /nfs/dbraw/zinc/97/82/48/568978248.db2.gz XKZPGUBFTIQESA-UHFFFAOYSA-N 0 0 439.515 4.935 50 0 IJAARN Cc1cccc(-c2cc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)ncn2)c1 ZINC000064873068 568978282 /nfs/dbraw/zinc/97/82/82/568978282.db2.gz BQEDPQOKKQVSGN-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN COc1ccc(N(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246449 568981848 /nfs/dbraw/zinc/98/18/48/568981848.db2.gz AXEMOXWNFYWAML-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246960 568982058 /nfs/dbraw/zinc/98/20/58/568982058.db2.gz BFWRXKUKYYIRSK-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2ccccc2)cc1 ZINC000036247652 568982266 /nfs/dbraw/zinc/98/22/66/568982266.db2.gz KNQUXHBYQWTSBN-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN COc1ccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000036247719 568982501 /nfs/dbraw/zinc/98/25/01/568982501.db2.gz ARKMSXNINXGIEB-SFHVURJKSA-N 0 0 438.549 4.919 50 0 IJAARN CC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036249180 568983056 /nfs/dbraw/zinc/98/30/56/568983056.db2.gz SHCDCJFGRNDWCF-UHFFFAOYSA-N 0 0 441.478 4.507 50 0 IJAARN COc1cccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@H](C)c2cccc(C)c2)c1 ZINC000036248651 568983415 /nfs/dbraw/zinc/98/34/15/568983415.db2.gz DBAHEBFVZSEVLK-GOSISDBHSA-N 0 0 441.549 4.977 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064929884 568988302 /nfs/dbraw/zinc/98/83/02/568988302.db2.gz MRWNYDLDBCSENO-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000064930527 568988911 /nfs/dbraw/zinc/98/89/11/568988911.db2.gz XBBZOEJHDGPEFZ-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)s1 ZINC000064930417 568988949 /nfs/dbraw/zinc/98/89/49/568988949.db2.gz DOMCQRBYWBTANT-MRXNPFEDSA-N 0 0 447.442 4.577 50 0 IJAARN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000169681195 568991312 /nfs/dbraw/zinc/99/13/12/568991312.db2.gz BHHJDSSJTHZQTA-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN Cc1c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2oc1-c1nc(-c2ccccn2)no1 ZINC000064948584 568994428 /nfs/dbraw/zinc/99/44/28/568994428.db2.gz OHSMWFRBSWHRHW-UHFFFAOYSA-N 0 0 446.488 4.962 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000036311288 568997203 /nfs/dbraw/zinc/99/72/03/568997203.db2.gz ILQQPHQGYGTGSX-QFIPXVFZSA-N 0 0 432.008 4.562 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccccc2F)C(C)C)c1 ZINC000036314215 568998953 /nfs/dbraw/zinc/99/89/53/568998953.db2.gz VPDVYBNNRMPBTL-UHFFFAOYSA-N 0 0 437.515 4.677 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2cc(F)ccc2C)c1C ZINC000064967577 569001307 /nfs/dbraw/zinc/00/13/07/569001307.db2.gz KIHBRXVSMBMSPL-UHFFFAOYSA-N 0 0 439.878 4.951 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(C)cc3)no2)c1=O ZINC000064971804 569076862 /nfs/dbraw/zinc/07/68/62/569076862.db2.gz FQZJDYPQIZHTAY-UHFFFAOYSA-N 0 0 442.519 4.692 50 0 IJAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4cc(C)ccc4C)c3=O)n2)cc1 ZINC000064971787 569076872 /nfs/dbraw/zinc/07/68/72/569076872.db2.gz HGPLUSVGPPGLMT-UHFFFAOYSA-N 0 0 442.519 4.746 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3nsc4ccccc43)c2)c1 ZINC000064972611 569077029 /nfs/dbraw/zinc/07/70/29/569077029.db2.gz VMYBYSAIHOMOAP-UHFFFAOYSA-N 0 0 431.517 4.796 50 0 IJAARN CCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)c(C)o2)cc1 ZINC000064977437 569077131 /nfs/dbraw/zinc/07/71/31/569077131.db2.gz MXZYEWWFSKECDR-UHFFFAOYSA-N 0 0 440.503 4.882 50 0 IJAARN CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21 ZINC000064976931 569077384 /nfs/dbraw/zinc/07/73/84/569077384.db2.gz SGGRDVSOZKGDEZ-UHFFFAOYSA-N 0 0 426.582 4.512 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN2CCC(C)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343929 569079889 /nfs/dbraw/zinc/07/98/89/569079889.db2.gz ZZJUTFXJUPDTIS-QFIPXVFZSA-N 0 0 425.960 4.758 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344731 569080270 /nfs/dbraw/zinc/08/02/70/569080270.db2.gz VDXDHPHZDZMWQL-RUZDIDTESA-N 0 0 431.511 4.644 50 0 IJAARN Cc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN1CCc2ccccc2C1 ZINC000036344862 569080368 /nfs/dbraw/zinc/08/03/68/569080368.db2.gz GAQLTDGAMPMJFK-AREMUKBSSA-N 0 0 427.523 4.870 50 0 IJAARN COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036345648 569080643 /nfs/dbraw/zinc/08/06/43/569080643.db2.gz ZNSCOPGUCCBWAB-AREMUKBSSA-N 0 0 427.548 4.813 50 0 IJAARN COc1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1S(=O)(=O)N1CCCCCC1 ZINC000064987837 569082689 /nfs/dbraw/zinc/08/26/89/569082689.db2.gz BGPDMERKKRXPJX-UHFFFAOYSA-N 0 0 447.944 4.630 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)CSCc4ccc(F)cc4)cc32)c1 ZINC000064990124 569083149 /nfs/dbraw/zinc/08/31/49/569083149.db2.gz CGRHYAOAWWVGIK-UHFFFAOYSA-N 0 0 448.563 4.887 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccccc4Cl)ccc3C[C@@H]2C)cc1 ZINC000064990246 569083210 /nfs/dbraw/zinc/08/32/10/569083210.db2.gz FYJZMLFINWFIMQ-INIZCTEOSA-N 0 0 434.923 4.870 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cc(C)ccc4C)cc32)cc1 ZINC000064990720 569083441 /nfs/dbraw/zinc/08/34/41/569083441.db2.gz MPJFODBXURECJQ-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990820 569083467 /nfs/dbraw/zinc/08/34/67/569083467.db2.gz OQKCLMOKKVXAHI-UHFFFAOYSA-N 0 0 427.504 4.722 50 0 IJAARN CCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064990745 569083482 /nfs/dbraw/zinc/08/34/82/569083482.db2.gz DGVHDPSJVHCZIQ-UHFFFAOYSA-N 0 0 445.519 4.619 50 0 IJAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3cccnc3)C[C@@H]21 ZINC000036352242 569084106 /nfs/dbraw/zinc/08/41/06/569084106.db2.gz LQPPVHGLKZMDHE-CPJSRVTESA-N 0 0 431.492 4.740 50 0 IJAARN CCc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(F)cc4)c3C)nc2C)cc1 ZINC000064998544 569085189 /nfs/dbraw/zinc/08/51/89/569085189.db2.gz PLSWNVVNAGGBAB-UHFFFAOYSA-N 0 0 435.528 4.639 50 0 IJAARN CCc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1 ZINC000064998630 569085407 /nfs/dbraw/zinc/08/54/07/569085407.db2.gz HOYFLDJZJIAYBV-UHFFFAOYSA-N 0 0 447.564 4.509 50 0 IJAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCCC4=CCCCC4)s3)c2C)c1 ZINC000064998711 569085487 /nfs/dbraw/zinc/08/54/87/569085487.db2.gz IKJZFJMIBWEXFK-UHFFFAOYSA-N 0 0 437.569 4.637 50 0 IJAARN COc1ccc(NC(=O)c2c3c(cn(-c4ccc(C)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000453 569085908 /nfs/dbraw/zinc/08/59/08/569085908.db2.gz BQJJXNDCIGBRJU-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN CC[C@@H](C)NC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006156 569087253 /nfs/dbraw/zinc/08/72/53/569087253.db2.gz HHDRVBWWRGBFEX-GOSISDBHSA-N 0 0 433.552 4.960 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065010911 569087774 /nfs/dbraw/zinc/08/77/74/569087774.db2.gz NKWBRSFCUJEEQS-UHFFFAOYSA-N 0 0 446.613 4.985 50 0 IJAARN Cc1c(S(=O)(=O)NCc2cccs2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008874 569087899 /nfs/dbraw/zinc/08/78/99/569087899.db2.gz SYGIAMPXSNKFEI-UHFFFAOYSA-N 0 0 447.582 4.803 50 0 IJAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N(Cc3ccco3)C3CCCC3)ccc21 ZINC000065021160 569088794 /nfs/dbraw/zinc/08/87/94/569088794.db2.gz PRMXUYHZFNSWAL-UHFFFAOYSA-N 0 0 444.597 4.693 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023246 569089227 /nfs/dbraw/zinc/08/92/27/569089227.db2.gz YLDMLBXXSPGQPV-JOCHJYFZSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)c1ccc(-c2ccnc3c(C(=O)N4CCN(c5ccccc5F)CC4)cnn32)cc1 ZINC000065026683 569089891 /nfs/dbraw/zinc/08/98/91/569089891.db2.gz WZZKQUJQXRIVCA-UHFFFAOYSA-N 0 0 443.526 4.621 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)cc1 ZINC000065027342 569090207 /nfs/dbraw/zinc/09/02/07/569090207.db2.gz OKAMMXGDMUVJDZ-UHFFFAOYSA-N 0 0 449.507 4.577 50 0 IJAARN CCCCNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027386 569090793 /nfs/dbraw/zinc/09/07/93/569090793.db2.gz UZUBFZIUCKBEKP-UHFFFAOYSA-N 0 0 427.888 4.689 50 0 IJAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccccc3OC)cc21 ZINC000065033959 569091669 /nfs/dbraw/zinc/09/16/69/569091669.db2.gz LEBDFVCHBZRDLA-UHFFFAOYSA-N 0 0 442.471 4.715 50 0 IJAARN COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccc(C(C)(C)C)cc5)no4)c3CO2)c1 ZINC000169758454 569094410 /nfs/dbraw/zinc/09/44/10/569094410.db2.gz MCINDNBUKOIWGM-HXUWFJFHSA-N 0 0 431.496 4.573 50 0 IJAARN Cc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)c(C)c1 ZINC000169758512 569094411 /nfs/dbraw/zinc/09/44/11/569094411.db2.gz CMLWARIVHDFUPI-GOSISDBHSA-N 0 0 441.413 4.902 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)c1 ZINC000065058851 569095628 /nfs/dbraw/zinc/09/56/28/569095628.db2.gz IJVAKUCVUWMYKW-JOCHJYFZSA-N 0 0 449.473 4.664 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)c1 ZINC000065062157 569097019 /nfs/dbraw/zinc/09/70/19/569097019.db2.gz DAPAWUOASFHHGJ-OAHLLOKOSA-N 0 0 441.018 4.694 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C ZINC000065062183 569097089 /nfs/dbraw/zinc/09/70/89/569097089.db2.gz AGLRHDOJECJLIL-OAHLLOKOSA-N 0 0 441.018 4.694 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)n2)c(OC)c1 ZINC000036396387 569098962 /nfs/dbraw/zinc/09/89/62/569098962.db2.gz XOFANBSNYGFPQW-UHFFFAOYSA-N 0 0 426.542 4.909 50 0 IJAARN CSc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000065074899 569099281 /nfs/dbraw/zinc/09/92/81/569099281.db2.gz KJZFBJGDKXVZBU-AREMUKBSSA-N 0 0 430.573 4.995 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1cc(C)cc(C)c1 ZINC000065075133 569099571 /nfs/dbraw/zinc/09/95/71/569099571.db2.gz QKOCHBPMWZSBJN-HHHXNRCGSA-N 0 0 428.532 4.590 50 0 IJAARN CCOc1ccc(C(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1OCC ZINC000065076749 569099897 /nfs/dbraw/zinc/09/98/97/569099897.db2.gz SBIYTGGVGDEAGQ-UHFFFAOYSA-N 0 0 435.524 4.862 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(Cl)cc4)csc3n2)cc1OC ZINC000065079412 569100887 /nfs/dbraw/zinc/10/08/87/569100887.db2.gz RJAJMRAECYNZCU-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)N4c5ccccc5C[C@H]4C)csc3n2)cc1OC ZINC000065079552 569100994 /nfs/dbraw/zinc/10/09/94/569100994.db2.gz QDGLAZJQSZGYOQ-OAHLLOKOSA-N 0 0 433.533 4.600 50 0 IJAARN Cc1ccc(CNC(=O)c2ncoc2-c2ccccc2C(=O)Nc2cccc(F)c2)cc1 ZINC000065080212 569101145 /nfs/dbraw/zinc/10/11/45/569101145.db2.gz NMOXYFOWLUXUTB-UHFFFAOYSA-N 0 0 429.451 4.971 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C(=O)NCCCc2ccccc2)CO3)c1 ZINC000065082133 569102053 /nfs/dbraw/zinc/10/20/53/569102053.db2.gz JZFLRDQMMUOKOW-HSZRJFAPSA-N 0 0 428.532 4.547 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(Br)c1 ZINC000065085012 569102797 /nfs/dbraw/zinc/10/27/97/569102797.db2.gz KIXORJSZZSSOAI-UHFFFAOYSA-N 0 0 436.352 4.904 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)c(OC)c1 ZINC000065085402 569102870 /nfs/dbraw/zinc/10/28/70/569102870.db2.gz NNURTFNZTLXMKU-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN CC(C)[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000036403736 569102895 /nfs/dbraw/zinc/10/28/95/569102895.db2.gz DRCBEVFFLLBCGW-SQJMNOBHSA-N 0 0 426.532 4.637 50 0 IJAARN CN1c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169780465 569103012 /nfs/dbraw/zinc/10/30/12/569103012.db2.gz DHSQYXVXNKRMDQ-LJQANCHMSA-N 0 0 433.430 4.630 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc([C@H](O)c2ccsc2)s1 ZINC000207966478 569104125 /nfs/dbraw/zinc/10/41/25/569104125.db2.gz BJCBESKRGVOUSQ-GOSISDBHSA-N 0 0 428.362 4.893 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099674 569105269 /nfs/dbraw/zinc/10/52/69/569105269.db2.gz NVYATGLUVTWSAM-UHFFFAOYSA-N 0 0 448.552 4.671 50 0 IJAARN COc1cc(-c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000006906475 569105844 /nfs/dbraw/zinc/10/58/44/569105844.db2.gz FVIISOHRNSQUEK-UHFFFAOYSA-N 0 0 440.308 4.790 50 0 IJAARN O=C(NCCCc1ccccc1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102617 569106111 /nfs/dbraw/zinc/10/61/11/569106111.db2.gz NEAJXIDHCQAOFI-UHFFFAOYSA-N 0 0 432.593 4.593 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)no1 ZINC000065112266 569108101 /nfs/dbraw/zinc/10/81/01/569108101.db2.gz BUKGTIDMARFLGV-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN CCCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CSCc1ccccc1C)N2 ZINC000006919885 569108700 /nfs/dbraw/zinc/10/87/00/569108700.db2.gz WZLPFVLMXKLLBZ-JOCHJYFZSA-N 0 0 425.598 4.971 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000065133988 569110054 /nfs/dbraw/zinc/11/00/54/569110054.db2.gz XYOWZYRSKQMIJF-UHFFFAOYSA-N 0 0 429.398 4.691 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1snc(-c2ccccn2)c1NC(=O)C1CC1 ZINC000065150026 569110969 /nfs/dbraw/zinc/11/09/69/569110969.db2.gz VQQLRIWXKBEDAL-UHFFFAOYSA-N 0 0 446.454 4.502 50 0 IJAARN COc1ccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000065151286 569111814 /nfs/dbraw/zinc/11/18/14/569111814.db2.gz MRTALOZQQBZREB-UHFFFAOYSA-N 0 0 448.592 4.675 50 0 IJAARN CCOc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2-c2ccncc2)cc1 ZINC000065153942 569112239 /nfs/dbraw/zinc/11/22/39/569112239.db2.gz LMAPEDGFKHVKRH-UHFFFAOYSA-N 0 0 426.476 4.865 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168609 569112602 /nfs/dbraw/zinc/11/26/02/569112602.db2.gz ZOTMNKPIUQHFIK-UHFFFAOYSA-N 0 0 428.717 4.758 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1)N1CCCCC1 ZINC000065178459 569114344 /nfs/dbraw/zinc/11/43/44/569114344.db2.gz NCGQDGABTVSYPL-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)cc1)N1CCCC1 ZINC000065178676 569114552 /nfs/dbraw/zinc/11/45/52/569114552.db2.gz WXPXWAZUPVSPAL-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000065178966 569114573 /nfs/dbraw/zinc/11/45/73/569114573.db2.gz YUSAOVQBQNQVIZ-FQEVSTJZSA-N 0 0 438.543 4.629 50 0 IJAARN CCc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(-c3nnc(C4CCC4)o3)n(C)c2C)cc1 ZINC000065186583 569114756 /nfs/dbraw/zinc/11/47/56/569114756.db2.gz IXQYCKCAHGWROJ-HNNXBMFYSA-N 0 0 442.585 4.561 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209256 569116070 /nfs/dbraw/zinc/11/60/70/569116070.db2.gz VXZIOLILOZTKQY-OAQYLSRUSA-N 0 0 438.959 4.746 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCN(C(=O)c2ccc(C)cc2)C3)cc1 ZINC000065201399 569116239 /nfs/dbraw/zinc/11/62/39/569116239.db2.gz GSQKFQFDJJUJFT-QGZVFWFLSA-N 0 0 434.561 4.755 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000007000544 569116802 /nfs/dbraw/zinc/11/68/02/569116802.db2.gz OUOVDHOJZVTYIC-UHFFFAOYSA-N 0 0 426.582 4.960 50 0 IJAARN Cc1oc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1C(=O)N1CCCCC1 ZINC000065232246 569118994 /nfs/dbraw/zinc/11/89/94/569118994.db2.gz BRGPZMADQPUHFR-UHFFFAOYSA-N 0 0 449.473 4.648 50 0 IJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065240852 569120904 /nfs/dbraw/zinc/12/09/04/569120904.db2.gz TWYQZXPHAYAVID-UHFFFAOYSA-N 0 0 430.455 4.954 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C)cc1Cl ZINC000065241281 569120948 /nfs/dbraw/zinc/12/09/48/569120948.db2.gz QVVPPAZFORBGIP-UHFFFAOYSA-N 0 0 425.897 4.737 50 0 IJAARN CCCn1nc(C)c(S(=O)(=O)N(Cc2ccn(CC)n2)c2ccc(C(C)C)cc2)c1C ZINC000036615269 569122364 /nfs/dbraw/zinc/12/23/64/569122364.db2.gz SZUALDWVMSJBFF-UHFFFAOYSA-N 0 0 443.617 4.645 50 0 IJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c12 ZINC000036616084 569122758 /nfs/dbraw/zinc/12/27/58/569122758.db2.gz REECZVDXBWUVGM-UHFFFAOYSA-N 0 0 428.521 4.752 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3cnn(C)c3n2)cc1 ZINC000036616278 569122767 /nfs/dbraw/zinc/12/27/67/569122767.db2.gz PCCPEHHTBPLUOA-UHFFFAOYSA-N 0 0 425.448 4.551 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1 ZINC000036613491 569123821 /nfs/dbraw/zinc/12/38/21/569123821.db2.gz HEVNFZHFQBZYAR-UHFFFAOYSA-N 0 0 440.547 4.739 50 0 IJAARN CC[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036614110 569123970 /nfs/dbraw/zinc/12/39/70/569123970.db2.gz BWFDCTPRWWBZFE-ZTYFUTMOSA-N 0 0 433.596 4.848 50 0 IJAARN COc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065258394 569124457 /nfs/dbraw/zinc/12/44/57/569124457.db2.gz VHRPXIXASFZXLO-UHFFFAOYSA-N 0 0 425.897 4.737 50 0 IJAARN COc1ccc([C@@H]2c3cn(CC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000524731718 569126656 /nfs/dbraw/zinc/12/66/56/569126656.db2.gz IMSITPIRAFURJC-HSZRJFAPSA-N 0 0 429.520 4.506 50 0 biogenic IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065299756 569132150 /nfs/dbraw/zinc/13/21/50/569132150.db2.gz LTLOPBUOABOCJN-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)C4CCCCC4)CC3)sc12 ZINC000065299760 569132151 /nfs/dbraw/zinc/13/21/51/569132151.db2.gz SLBFRICTOUBRAT-UHFFFAOYSA-N 0 0 437.613 4.764 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4cccc(F)c4)CC3)sc12 ZINC000065300475 569132241 /nfs/dbraw/zinc/13/22/41/569132241.db2.gz QHTHIYNIOINQRB-UHFFFAOYSA-N 0 0 449.555 4.590 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4cccs4)CC3)sc12 ZINC000065300379 569132289 /nfs/dbraw/zinc/13/22/89/569132289.db2.gz BWQUBMISCFRRPQ-UHFFFAOYSA-N 0 0 437.594 4.513 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)c2cc3nc(N(C)C)n(-c4ccc(F)cc4)c3s2)c1 ZINC000065306740 569133514 /nfs/dbraw/zinc/13/35/14/569133514.db2.gz RQIQNXSDAMXTHV-CQSZACIVSA-N 0 0 438.528 4.792 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065320722 569136256 /nfs/dbraw/zinc/13/62/56/569136256.db2.gz SJIXVXZGAAFQQC-HXUWFJFHSA-N 0 0 429.517 4.600 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000036713771 569136589 /nfs/dbraw/zinc/13/65/89/569136589.db2.gz OPGRPXYZIXNPTQ-UHFFFAOYSA-N 0 0 433.895 4.749 50 0 IJAARN COC(=O)c1cccc(Nc2c(-c3ccc(F)cc3)nc3cnc(Br)cn32)c1 ZINC000065331645 569137305 /nfs/dbraw/zinc/13/73/05/569137305.db2.gz BIRNQKSZOBHBMA-UHFFFAOYSA-N 0 0 441.260 4.828 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 ZINC000238838198 569137317 /nfs/dbraw/zinc/13/73/17/569137317.db2.gz HFJPEKPLSODXLD-HXUWFJFHSA-N 0 0 437.337 4.656 50 0 IJAARN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000036748377 569137497 /nfs/dbraw/zinc/13/74/97/569137497.db2.gz VXWNPDUVFSUXFA-OAHLLOKOSA-N 0 0 445.350 4.871 50 0 IJAARN Cc1csc(N(C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c2ccccc2)n1 ZINC000036783587 569137846 /nfs/dbraw/zinc/13/78/46/569137846.db2.gz CGXNHYVXHWDACE-UHFFFAOYSA-N 0 0 436.924 4.938 50 0 IJAARN Cc1cccc(C(=O)Nc2n[nH]c3ccc(C(F)(F)F)cc32)c1I ZINC000170609875 569144780 /nfs/dbraw/zinc/14/47/80/569144780.db2.gz QHLIUWVZENQRBF-UHFFFAOYSA-N 0 0 445.182 4.747 50 0 IJAARN CC(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037276766 569145386 /nfs/dbraw/zinc/14/53/86/569145386.db2.gz DGNUDOMNWBJGIE-UHFFFAOYSA-N 0 0 427.976 4.515 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281102 569146039 /nfs/dbraw/zinc/14/60/39/569146039.db2.gz ZBEGHVWKNYCUPR-CLOONOSVSA-N 0 0 434.580 4.563 50 0 IJAARN CC(C)(C)OC(=O)c1c2c(sc1NC(=O)c1ccncc1Br)CCCC2 ZINC000170617620 569146927 /nfs/dbraw/zinc/14/69/27/569146927.db2.gz KKPFNKBHHVIOMO-UHFFFAOYSA-N 0 0 437.359 4.992 50 0 IJAARN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccsc2)C[C@H]1c1ccco1 ZINC000170618219 569147037 /nfs/dbraw/zinc/14/70/37/569147037.db2.gz GFBLNOVVBFKGMV-QHCPKHFHSA-N 0 0 433.577 4.974 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(NCc3noc(-c4cccc(F)c4)n3)c2c1C ZINC000170619670 569147595 /nfs/dbraw/zinc/14/75/95/569147595.db2.gz BQZXSNIZXFVUTP-UHFFFAOYSA-N 0 0 438.532 4.705 50 0 IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3ccccc3)C[C@@H]21 ZINC000170618998 569147629 /nfs/dbraw/zinc/14/76/29/569147629.db2.gz FSVWNQLCSOQJAQ-GBXCKJPGSA-N 0 0 431.879 4.697 50 0 IJAARN O=C(Oc1ccccc1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000170624917 569148157 /nfs/dbraw/zinc/14/81/57/569148157.db2.gz RIJQGLZELKUMSE-MSOLQXFVSA-N 0 0 433.335 4.830 50 0 IJAARN Cc1c(NC(=O)CSCc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000009882919 569149864 /nfs/dbraw/zinc/14/98/64/569149864.db2.gz MZJCGRDYQHPOGO-UHFFFAOYSA-N 0 0 436.364 4.663 50 0 IJAARN COc1ccc(OCCN(C)C(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1 ZINC000010024241 569151432 /nfs/dbraw/zinc/15/14/32/569151432.db2.gz KXWMDJQFSAWXTP-UHFFFAOYSA-N 0 0 437.565 4.545 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2)c1 ZINC000010025836 569151682 /nfs/dbraw/zinc/15/16/82/569151682.db2.gz AIRLEAWLMBEMSE-OAQYLSRUSA-N 0 0 436.533 4.752 50 0 IJAARN Cc1ccc(-c2csc3[nH]c(CSc4nnnn4C4CCCCC4)nc(=O)c23)s1 ZINC000010028661 569151808 /nfs/dbraw/zinc/15/18/08/569151808.db2.gz YUYXZMHGUYNBLC-UHFFFAOYSA-N 0 0 444.611 4.806 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000010060026 569152370 /nfs/dbraw/zinc/15/23/70/569152370.db2.gz HUIAYYYLQUKNAC-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010119416 569152750 /nfs/dbraw/zinc/15/27/50/569152750.db2.gz AWKHSOYRBUWGGP-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010220642 569152922 /nfs/dbraw/zinc/15/29/22/569152922.db2.gz GXFFBUWETRPPCZ-UHFFFAOYSA-N 0 0 427.353 4.809 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000010220621 569152953 /nfs/dbraw/zinc/15/29/53/569152953.db2.gz SRWPEHOKALDVFF-UHFFFAOYSA-N 0 0 447.607 4.687 50 0 IJAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1 ZINC000010254313 569154179 /nfs/dbraw/zinc/15/41/79/569154179.db2.gz HSOJZTFHJZQYHH-IBGZPJMESA-N 0 0 437.908 4.718 50 0 IJAARN Cc1cccc2c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc(-c3ccncc3)nc12 ZINC000013321315 569155033 /nfs/dbraw/zinc/15/50/33/569155033.db2.gz ASAHPXDKNZRREC-UHFFFAOYSA-N 0 0 442.544 4.897 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000013522824 569155573 /nfs/dbraw/zinc/15/55/73/569155573.db2.gz INNGBKVQZUHADZ-MSOLQXFVSA-N 0 0 425.488 4.720 50 0 IJAARN O=C(Cc1ccc(NC(=O)c2ccccc2Br)cc1)NCc1cccs1 ZINC000013716698 569156806 /nfs/dbraw/zinc/15/68/06/569156806.db2.gz DVZHSMFNRHFKLX-UHFFFAOYSA-N 0 0 429.339 4.622 50 0 IJAARN COCCCn1c(-c2c(C)oc3ccccc32)cs/c1=N\S(=O)(=O)c1ccccc1 ZINC000013843559 569157213 /nfs/dbraw/zinc/15/72/13/569157213.db2.gz PFFZZBKMIUJENM-FCQUAONHSA-N 0 0 442.562 4.597 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCc2sccc2C1 ZINC000014218296 569158240 /nfs/dbraw/zinc/15/82/40/569158240.db2.gz XBXPAGUVVMVBKN-UHFFFAOYSA-N 0 0 444.585 4.944 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cn1ncc2ccccc2c1=O ZINC000014288895 569158504 /nfs/dbraw/zinc/15/85/04/569158504.db2.gz CUGBQLOAMZLGAW-UHFFFAOYSA-N 0 0 435.549 4.525 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnc2sc3c(c2c1=O)CCCCC3 ZINC000089694756 569161389 /nfs/dbraw/zinc/16/13/89/569161389.db2.gz PLJMYRMZKNYJGW-UHFFFAOYSA-N 0 0 439.581 4.672 50 0 IJAARN Cc1ccccc1-c1nc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC000089696905 569161391 /nfs/dbraw/zinc/16/13/91/569161391.db2.gz KMJGPDCFGSQZBB-UXHICEINSA-N 0 0 426.561 4.799 50 0 IJAARN COc1cc(CNc2c(C)cnn2Cc2cc(F)ccc2F)cc(OC)c1OC(F)F ZINC000089702565 569161920 /nfs/dbraw/zinc/16/19/20/569161920.db2.gz GWMGWIXXYXLTHW-UHFFFAOYSA-N 0 0 439.409 4.749 50 0 IJAARN Cc1ccccc1NC(=S)N[C@H](NC(=O)/C=C\c1ccccc1)C(Cl)(Cl)Cl ZINC000016790897 569162161 /nfs/dbraw/zinc/16/21/61/569162161.db2.gz FTCVQQMMURFEQH-CPFIRTDXSA-N 0 0 442.799 4.807 50 0 IJAARN C[C@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891150 569165733 /nfs/dbraw/zinc/16/57/33/569165733.db2.gz NFUCENPJYVCNPX-HRAATJIYSA-N 0 0 429.586 4.631 50 0 IJAARN C[C@@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891147 569165758 /nfs/dbraw/zinc/16/57/58/569165758.db2.gz NFUCENPJYVCNPX-IIBYNOLFSA-N 0 0 429.586 4.631 50 0 IJAARN C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000089893912 569166899 /nfs/dbraw/zinc/16/68/99/569166899.db2.gz LJDQVSYISNZMAB-NRFANRHFSA-N 0 0 425.326 4.533 50 0 IJAARN CC[C@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000089948610 569168538 /nfs/dbraw/zinc/16/85/38/569168538.db2.gz QOLZEBCLOGXWPJ-PXNSSMCTSA-N 0 0 441.597 4.998 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 ZINC000014705531 569168572 /nfs/dbraw/zinc/16/85/72/569168572.db2.gz VCTLFEKEUXIECF-HXUWFJFHSA-N 0 0 433.537 4.612 50 0 IJAARN CCCn1nc(C)c(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)c1C ZINC000089960644 569169026 /nfs/dbraw/zinc/16/90/26/569169026.db2.gz OQZHSNOITJRJEC-UHFFFAOYSA-N 0 0 443.960 4.907 50 0 IJAARN Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000017013860 569170816 /nfs/dbraw/zinc/17/08/16/569170816.db2.gz LNJFDCSJGVQEQB-UHFFFAOYSA-N 0 0 433.537 4.549 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)CCC1CCCC1 ZINC000037356088 569171377 /nfs/dbraw/zinc/17/13/77/569171377.db2.gz UPURUEYTKQCZFM-KRWDZBQOSA-N 0 0 428.964 4.930 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(F)cc2Cl)n1C ZINC000017099255 569173929 /nfs/dbraw/zinc/17/39/29/569173929.db2.gz UBFXCSAQPNTRHA-UHFFFAOYSA-N 0 0 434.924 4.534 50 0 IJAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000017135511 569174343 /nfs/dbraw/zinc/17/43/43/569174343.db2.gz BTLAKWYVWWTSBF-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN COc1ccccc1-c1nc(N2CCC(C)CC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358094 569175761 /nfs/dbraw/zinc/17/57/61/569175761.db2.gz SCJNKBUFWIXLPB-UHFFFAOYSA-N 0 0 448.958 4.963 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000937758 569176333 /nfs/dbraw/zinc/17/63/33/569176333.db2.gz WSDSKUTZIVYHIL-HNNXBMFYSA-N 0 0 430.932 4.817 50 0 IJAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000170636592 569178100 /nfs/dbraw/zinc/17/81/00/569178100.db2.gz ZMGGWKNGKORATN-UHOSZYNNSA-N 0 0 434.330 4.507 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002092187 569178988 /nfs/dbraw/zinc/17/89/88/569178988.db2.gz ZDWFPXSTIVKVCP-DQEYMECFSA-N 0 0 441.575 4.770 50 0 biogenic IJAARN O=C1CN(C2CCCCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002098486 569179422 /nfs/dbraw/zinc/17/94/22/569179422.db2.gz GWHMHHGEEABDRO-RDGATRHJSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc12 ZINC000002097287 569179462 /nfs/dbraw/zinc/17/94/62/569179462.db2.gz JITDSMHISOPQBW-FQEVSTJZSA-N 0 0 437.492 4.656 50 0 biogenic IJAARN COc1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1N1CCCCC1=O ZINC000170640152 569180208 /nfs/dbraw/zinc/18/02/08/569180208.db2.gz DUYVYJVFYVWHJN-UHFFFAOYSA-N 0 0 425.872 4.773 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1cccs1 ZINC000002264862 569180701 /nfs/dbraw/zinc/18/07/01/569180701.db2.gz IAELTTWQMMJOGJ-UHFFFAOYSA-N 0 0 437.388 4.828 50 0 IJAARN COc1cccc(-c2nc(C(=O)NC[C@@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)c1 ZINC000002117188 569182608 /nfs/dbraw/zinc/18/26/08/569182608.db2.gz GQBMNFMNFIEWBD-XMMPIXPASA-N 0 0 437.499 4.855 50 0 biogenic IJAARN CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c2[C@H]1C ZINC000252452907 569184183 /nfs/dbraw/zinc/18/41/83/569184183.db2.gz NAWMQCOLNLIPHN-QAPCUYQASA-N 0 0 431.989 4.916 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc(OC)c(OC)c3)cc12 ZINC000000637449 569185381 /nfs/dbraw/zinc/18/53/81/569185381.db2.gz PBLCJRKGQXIAEW-UHFFFAOYSA-N 0 0 448.450 4.565 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c1 ZINC000001170719 569185444 /nfs/dbraw/zinc/18/54/44/569185444.db2.gz DJFRLMKOHKSBKK-INIZCTEOSA-N 0 0 448.778 4.855 50 0 IJAARN Fc1ccccc1-c1noc(-c2cncnc2NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000252483255 569186627 /nfs/dbraw/zinc/18/66/27/569186627.db2.gz DYASAZVYQKPSCC-UHFFFAOYSA-N 0 0 431.349 4.843 50 0 IJAARN COc1ccc(CCNC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000002152596 569187389 /nfs/dbraw/zinc/18/73/89/569187389.db2.gz BNIQVYSNNPVNOB-XQNSMLJCSA-N 0 0 434.561 4.503 50 0 IJAARN COc1ccc(OC)c(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000252499446 569188117 /nfs/dbraw/zinc/18/81/17/569188117.db2.gz SARXMECLSKCADA-QHCPKHFHSA-N 0 0 436.533 4.552 50 0 IJAARN CC(C)C(=O)N(C)Cc1nn(-c2ccccc2Cl)c2c1CN(Cc1ccccc1)CC2 ZINC000037378422 569188566 /nfs/dbraw/zinc/18/85/66/569188566.db2.gz FUJQLFGMOOIILJ-UHFFFAOYSA-N 0 0 436.987 4.698 50 0 IJAARN Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[C@H]3C[C@@H]3c3ccc(C)s3)CC2)s1 ZINC000252518035 569189338 /nfs/dbraw/zinc/18/93/38/569189338.db2.gz XSICOPGTPYACDA-YRPNKDGESA-N 0 0 442.650 4.783 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CCCSc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000002200221 569192380 /nfs/dbraw/zinc/19/23/80/569192380.db2.gz YTASICSGCOLKNZ-UHFFFAOYSA-N 0 0 444.582 4.578 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cccc(Br)c2)cs1 ZINC000002203376 569192775 /nfs/dbraw/zinc/19/27/75/569192775.db2.gz GXPCOMWRXKXSCW-QGZVFWFLSA-N 0 0 447.310 4.871 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)Nc1ccccc1OC ZINC000037401075 569195132 /nfs/dbraw/zinc/19/51/32/569195132.db2.gz YXLBXJVHRHWHJH-QGZVFWFLSA-N 0 0 434.558 4.645 50 0 IJAARN COCCNC(=O)c1cc2scc(Br)c2n1Cc1cccc(Cl)c1 ZINC000037545053 569199647 /nfs/dbraw/zinc/19/96/47/569199647.db2.gz QJUDBFUWFRJTHW-UHFFFAOYSA-N 0 0 427.751 4.543 50 0 IJAARN CC(C)CNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2)n1 ZINC000037426437 569195694 /nfs/dbraw/zinc/19/56/94/569195694.db2.gz WRGSZSMGVCJTNA-UHFFFAOYSA-N 0 0 436.581 4.691 50 0 IJAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037442122 569197004 /nfs/dbraw/zinc/19/70/04/569197004.db2.gz JEYSFLGWVDYKHX-GOSISDBHSA-N 0 0 443.931 4.572 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000037443202 569197066 /nfs/dbraw/zinc/19/70/66/569197066.db2.gz FBHBYHSQZBNDRT-OSWMTFESSA-N 0 0 427.614 4.945 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000037524428 569198558 /nfs/dbraw/zinc/19/85/58/569198558.db2.gz CKFBMLZQTGPMQM-LJQANCHMSA-N 0 0 445.538 4.716 50 0 IJAARN Cc1ccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3scc(Br)c32)cc1 ZINC000037545037 569199633 /nfs/dbraw/zinc/19/96/33/569199633.db2.gz JFQDLBDBLVVPMQ-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547065 569199883 /nfs/dbraw/zinc/19/98/83/569199883.db2.gz NSTCWWPXLAIMPZ-OAQYLSRUSA-N 0 0 437.515 4.648 50 0 IJAARN O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037572242 569201227 /nfs/dbraw/zinc/20/12/27/569201227.db2.gz BOKPQQQVCMWJRG-UHFFFAOYSA-N 0 0 442.531 4.825 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195530668 569204148 /nfs/dbraw/zinc/20/41/48/569204148.db2.gz APDHZTJOKCUNND-YAMSLAJTSA-N 0 0 434.915 4.823 50 0 IJAARN CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3Cl)c1)CC(=O)N2 ZINC000066091394 569205758 /nfs/dbraw/zinc/20/57/58/569205758.db2.gz LJKHXPDBYBMCSL-CQSZACIVSA-N 0 0 429.929 4.900 50 0 IJAARN CNc1nc2c(s1)[C@H](c1ccc(OC)c(OCc3ccc(Cl)cc3)c1)CC(=O)N2 ZINC000066091363 569205775 /nfs/dbraw/zinc/20/57/75/569205775.db2.gz QPWVWHDURMBFJB-HNNXBMFYSA-N 0 0 429.929 4.900 50 0 IJAARN CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)CC(=O)N2 ZINC000066091345 569205778 /nfs/dbraw/zinc/20/57/78/569205778.db2.gz ZFZMKWLCRNAVEF-HNNXBMFYSA-N 0 0 429.929 4.900 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1OC ZINC000002227714 569207923 /nfs/dbraw/zinc/20/79/23/569207923.db2.gz LSKVRVKWKUIWRQ-UHFFFAOYSA-N 0 0 435.402 4.734 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1Cc1ccco1 ZINC000002228538 569208247 /nfs/dbraw/zinc/20/82/47/569208247.db2.gz ZSTTYZSJVPSHOS-UHFFFAOYSA-N 0 0 438.578 4.865 50 0 IJAARN Cc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000002229513 569208305 /nfs/dbraw/zinc/20/83/05/569208305.db2.gz QRXADQPIUSONIR-GJFKPFFXSA-N 0 0 438.552 4.529 50 0 IJAARN Cc1cc2nc3sc(=Cc4cccc(OCc5ccccc5F)c4)c(=O)n3c2cc1C ZINC000252669815 569209899 /nfs/dbraw/zinc/20/98/99/569209899.db2.gz ISYWFTKAMPTQTD-UHFFFAOYSA-N 0 0 430.504 4.792 50 0 IJAARN Cc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000252674557 569210179 /nfs/dbraw/zinc/21/01/79/569210179.db2.gz SHNZSZZHFNZHMO-HHHXNRCGSA-N 0 0 448.591 4.936 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000925306 569212201 /nfs/dbraw/zinc/21/22/01/569212201.db2.gz GKUOWYKTVNWTOJ-UHFFFAOYSA-N 0 0 443.985 4.910 50 0 IJAARN CCc1ccccc1-n1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002253328 569216611 /nfs/dbraw/zinc/21/66/11/569216611.db2.gz YXBZACNCOIAIJY-UHFFFAOYSA-N 0 0 435.531 4.957 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccc(Br)cc2)cc1 ZINC000027515668 569217151 /nfs/dbraw/zinc/21/71/51/569217151.db2.gz CLNHHQPXBCILJE-UHFFFAOYSA-N 0 0 449.308 4.958 50 0 IJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)c1ccccc1 ZINC000013164898 569256737 /nfs/dbraw/zinc/25/67/37/569256737.db2.gz BZGCKIVKAUHLJM-CPJSRVTESA-N 0 0 434.561 4.562 50 0 IJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc(F)cc1Cl ZINC000027527479 569263250 /nfs/dbraw/zinc/26/32/50/569263250.db2.gz CJJABAMFJMLOPJ-UHFFFAOYSA-N 0 0 428.250 4.893 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027527672 569263351 /nfs/dbraw/zinc/26/33/51/569263351.db2.gz NTWQKJJCIZBEIQ-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002295128 569268119 /nfs/dbraw/zinc/26/81/19/569268119.db2.gz ZIMUSFASYQXDDH-UHFFFAOYSA-N 0 0 441.535 4.785 50 0 IJAARN CCCNC(=O)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002303860 569271585 /nfs/dbraw/zinc/27/15/85/569271585.db2.gz UEYAXHBVTVPNBD-WPRPVWTQSA-N 0 0 437.285 4.507 50 0 IJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000002345574 569279989 /nfs/dbraw/zinc/27/99/89/569279989.db2.gz GIAWFXIWCCCBKI-ZDUSSCGKSA-N 0 0 431.282 4.861 50 0 IJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)C[C@@H](OC(C)=O)[C@@H]32)C1 ZINC000253498704 569283228 /nfs/dbraw/zinc/28/32/28/569283228.db2.gz MUKWHGGWGASXHY-BDOZJGICSA-N 0 0 432.601 4.954 50 0 biogenic IJAARN CO[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O)C[C@H]5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O)C5(C)C)O1 ZINC000253499919 569283397 /nfs/dbraw/zinc/28/33/97/569283397.db2.gz RNNKNCIBOJGMFI-UWMJYRSTSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002376653 569289485 /nfs/dbraw/zinc/28/94/85/569289485.db2.gz RXLHARUYJJDEBR-OAQYLSRUSA-N 0 0 449.503 4.591 50 0 IJAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002389467 569296230 /nfs/dbraw/zinc/29/62/30/569296230.db2.gz LVDVACQOTBFVQC-UQBPGWFLSA-N 0 0 426.291 4.926 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002391352 569297861 /nfs/dbraw/zinc/29/78/61/569297861.db2.gz QLBNEIHEBILGMF-UHFFFAOYSA-N 0 0 437.920 4.999 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000002400753 569299518 /nfs/dbraw/zinc/29/95/18/569299518.db2.gz LHWUGGUJDZYDAT-OAQYLSRUSA-N 0 0 441.911 4.815 50 0 IJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1OC)CC2=O)c1ccccc1 ZINC000002402795 569299743 /nfs/dbraw/zinc/29/97/43/569299743.db2.gz KXNNDYPHMSSKBY-MJGOQNOKSA-N 0 0 445.519 4.539 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002411413 569300900 /nfs/dbraw/zinc/30/09/00/569300900.db2.gz LUONBCCLWREEAZ-UHFFFAOYSA-N 0 0 442.544 4.665 50 0 IJAARN CCc1ccc(OCCOCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002411028 569300964 /nfs/dbraw/zinc/30/09/64/569300964.db2.gz JDIDTNKRSSKSDC-UHFFFAOYSA-N 0 0 444.531 4.730 50 0 IJAARN CCCCCOC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002413191 569301166 /nfs/dbraw/zinc/30/11/66/569301166.db2.gz LNUCPZZITGGWEX-UHFFFAOYSA-N 0 0 434.496 4.520 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002423278 569302212 /nfs/dbraw/zinc/30/22/12/569302212.db2.gz OFLRGKAEBZKDBM-OALUTQOASA-N 0 0 425.920 4.681 50 0 IJAARN Cc1ccc(Cn2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002427949 569302776 /nfs/dbraw/zinc/30/27/76/569302776.db2.gz TVTBVBVGLPFMOD-UHFFFAOYSA-N 0 0 442.544 4.665 50 0 IJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002429258 569302898 /nfs/dbraw/zinc/30/28/98/569302898.db2.gz OQLVOOXVYYHBKF-UHFFFAOYSA-N 0 0 439.494 4.658 50 0 IJAARN C[C@@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002434341 569303723 /nfs/dbraw/zinc/30/37/23/569303723.db2.gz QKZSCYVFHMBUHP-HNNXBMFYSA-N 0 0 446.507 4.748 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](O)c1ccccc1 ZINC000002437887 569303953 /nfs/dbraw/zinc/30/39/53/569303953.db2.gz XBLBGMOYGZUDLH-UGKGYDQZSA-N 0 0 449.865 4.864 50 0 IJAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NCCc3ccccc3)n2)CC(C)(C)OC4)n1 ZINC000002449974 569304846 /nfs/dbraw/zinc/30/48/46/569304846.db2.gz SKZASARAAJVTJT-UHFFFAOYSA-N 0 0 433.581 5.000 50 0 IJAARN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3cc(O)nc3c2cc1OC ZINC000012951456 569305175 /nfs/dbraw/zinc/30/51/75/569305175.db2.gz DSKAQZWJWWLBIU-UHFFFAOYSA-N 0 0 436.320 4.534 50 0 IJAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1OC ZINC000013003197 569306237 /nfs/dbraw/zinc/30/62/37/569306237.db2.gz OYOFQJAGDQHITJ-UHFFFAOYSA-N 0 0 444.535 4.969 50 0 IJAARN C[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O ZINC000013017602 569307240 /nfs/dbraw/zinc/30/72/40/569307240.db2.gz XXDKXMJDYDNCCZ-JTQLQIEISA-N 0 0 446.315 4.740 50 0 IJAARN CCN(CC(=O)Nc1ccc(Cl)cc1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000013032041 569307476 /nfs/dbraw/zinc/30/74/76/569307476.db2.gz ZMZNDWCIFXSWDV-UHFFFAOYSA-N 0 0 427.854 4.566 50 0 IJAARN COc1cc(/C=C/C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F ZINC000013095947 569309468 /nfs/dbraw/zinc/30/94/68/569309468.db2.gz QIZUHWQBMGVVDW-LNLBBOMNSA-N 0 0 447.478 4.985 50 0 IJAARN Cc1csc(SCc2c3ccccc3oc2C(=O)Oc2ccc(-n3cnnn3)cc2)n1 ZINC000013095590 569309497 /nfs/dbraw/zinc/30/94/97/569309497.db2.gz NAWWUGQWPQISJG-UHFFFAOYSA-N 0 0 449.517 4.685 50 0 IJAARN COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCc2ccccc2C(F)(F)F)C(C)C)cc1 ZINC000013097484 569309823 /nfs/dbraw/zinc/30/98/23/569309823.db2.gz AIKWWHNPCPKOSV-BGVYSJOJSA-N 0 0 435.442 4.611 50 0 IJAARN COc1ccc2c(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)coc2c1 ZINC000013109312 569310278 /nfs/dbraw/zinc/31/02/78/569310278.db2.gz PXYWZSJGMGTGBU-UHFFFAOYSA-N 0 0 437.883 4.879 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)n2)cc1 ZINC000013112888 569310471 /nfs/dbraw/zinc/31/04/71/569310471.db2.gz SJVZCJGPSSNPAN-UHFFFAOYSA-N 0 0 449.985 4.529 50 0 IJAARN CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)c1ccc(F)cc1 ZINC000013113197 569310638 /nfs/dbraw/zinc/31/06/38/569310638.db2.gz NEYPRIIEKQGTEV-UHFFFAOYSA-N 0 0 427.526 4.687 50 0 IJAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@H](C)C3 ZINC000013115867 569310894 /nfs/dbraw/zinc/31/08/94/569310894.db2.gz XSXPCAHBBMDPIO-ZFWWWQNUSA-N 0 0 442.606 4.842 50 0 IJAARN COC(=O)c1cc(OC(=O)CSc2cccc3cccc(Cl)c32)cc(C(=O)OC)c1 ZINC000013148602 569312144 /nfs/dbraw/zinc/31/21/44/569312144.db2.gz MXQDONLCKWAHAC-UHFFFAOYSA-N 0 0 444.892 4.764 50 0 IJAARN O=S(=O)(NC[C@H](NCc1ccccc1Cl)c1ccccc1)c1ccc(Cl)s1 ZINC000013149385 569312237 /nfs/dbraw/zinc/31/22/37/569312237.db2.gz AWXOQVDCLGUAAK-KRWDZBQOSA-N 0 0 441.405 4.864 50 0 IJAARN CC1CCN(C(=O)c2ccc(-c3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)CC1 ZINC000013355377 569313580 /nfs/dbraw/zinc/31/35/80/569313580.db2.gz ZVGKROCKQYMEKP-UHFFFAOYSA-N 0 0 448.588 4.704 50 0 IJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCc3cccc(Br)c3)c2)cs1 ZINC000013358194 569313775 /nfs/dbraw/zinc/31/37/75/569313775.db2.gz HXOWIOKJAPGSPY-UHFFFAOYSA-N 0 0 437.384 4.668 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(C)c(F)c4)ccc32)cc1 ZINC000013359653 569313876 /nfs/dbraw/zinc/31/38/76/569313876.db2.gz LZUQNOIYUCIBHX-UHFFFAOYSA-N 0 0 439.512 4.838 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013361103 569313993 /nfs/dbraw/zinc/31/39/93/569313993.db2.gz IINBWMCMFIOMCM-UHFFFAOYSA-N 0 0 445.544 4.795 50 0 IJAARN O=C(Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1)c1cccs1 ZINC000013368414 569314612 /nfs/dbraw/zinc/31/46/12/569314612.db2.gz VCYFTKABLPSQFQ-UHFFFAOYSA-N 0 0 437.546 4.528 50 0 IJAARN O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1ccccc1F ZINC000013370430 569314893 /nfs/dbraw/zinc/31/48/93/569314893.db2.gz JSNOBFPYWUKOSM-HMMYKYKNSA-N 0 0 445.332 4.762 50 0 IJAARN O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCC[C@H](c2ccncc2)C1 ZINC000328591992 569317187 /nfs/dbraw/zinc/31/71/87/569317187.db2.gz LFYNKCRVOLDLME-HNNXBMFYSA-N 0 0 425.891 4.544 50 0 IJAARN COc1cccc([C@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccccc2C)c1OC ZINC000328596894 569318006 /nfs/dbraw/zinc/31/80/06/569318006.db2.gz BHUKUYSWHZTYJI-OAQYLSRUSA-N 0 0 436.533 4.552 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000079019535 569322329 /nfs/dbraw/zinc/32/23/29/569322329.db2.gz GMGGIYVEFMTCBI-OAQYLSRUSA-N 0 0 443.551 4.724 50 0 IJAARN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)N(CCO)[C@H]1CCc2ccccc21 ZINC000079019714 569322363 /nfs/dbraw/zinc/32/23/63/569322363.db2.gz BKGVWSUEBADYPE-QXNWPYRLSA-N 0 0 434.561 4.508 50 0 IJAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1F ZINC000079025191 569322739 /nfs/dbraw/zinc/32/27/39/569322739.db2.gz KYUDHPUNFOHQAI-BTDICHCPSA-N 0 0 429.908 4.573 50 0 IJAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000079102591 569325509 /nfs/dbraw/zinc/32/55/09/569325509.db2.gz HJYGUJINQJRGME-IRXDYDNUSA-N 0 0 431.602 4.771 50 0 IJAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(Br)cc4)n3)cc2NC1=O ZINC000019796554 569329524 /nfs/dbraw/zinc/32/95/24/569329524.db2.gz AQVBIMYKOBRJJK-SNVBAGLBSA-N 0 0 444.310 4.544 50 0 IJAARN Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019796591 569329526 /nfs/dbraw/zinc/32/95/26/569329526.db2.gz ZJPYNDSUUAYEPY-NSHDSACASA-N 0 0 443.912 4.509 50 0 IJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)CCc4ccc(C)cc4)n3)cc21 ZINC000019820310 569330090 /nfs/dbraw/zinc/33/00/90/569330090.db2.gz JTHBQCMCYSCMRG-UHFFFAOYSA-N 0 0 435.549 4.825 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000079464605 569330446 /nfs/dbraw/zinc/33/04/46/569330446.db2.gz AEMJPCDJMHNGFK-KBPBESRZSA-N 0 0 442.368 4.847 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)cc1OC ZINC000019855321 569330465 /nfs/dbraw/zinc/33/04/65/569330465.db2.gz NJNWJFOEHYQXON-UHFFFAOYSA-N 0 0 442.519 4.634 50 0 IJAARN CC1(C)CC(=O)c2cc(C(=O)NCc3ccccc3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000020036401 569332747 /nfs/dbraw/zinc/33/27/47/569332747.db2.gz RHIFCTSWRKCFLY-UHFFFAOYSA-N 0 0 434.923 4.576 50 0 IJAARN Cc1ccc(-c2nc(NC(=O)CSc3ncnc4sc5c(c43)CCC5)ns2)cc1 ZINC000020059932 569332974 /nfs/dbraw/zinc/33/29/74/569332974.db2.gz UPLVRYXSYHWRFS-UHFFFAOYSA-N 0 0 439.591 4.738 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3F)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020114454 569334769 /nfs/dbraw/zinc/33/47/69/569334769.db2.gz BQHXOOVEFCTNLP-YKSBVNFPSA-N 0 0 434.467 4.576 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020115772 569334991 /nfs/dbraw/zinc/33/49/91/569334991.db2.gz ZQOYIAJYQUUQNJ-CSODHUTKSA-N 0 0 446.613 4.860 50 0 IJAARN COc1cc2c(C(=O)Nc3cccc(C(F)(F)F)c3)cn(CC(C)C)c(=O)c2cc1OC ZINC000020116474 569335143 /nfs/dbraw/zinc/33/51/43/569335143.db2.gz PMZCSCUHFQZJLV-UHFFFAOYSA-N 0 0 448.441 4.946 50 0 IJAARN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCc3ccccc3)cc2N(C)C1=O ZINC000020179693 569354927 /nfs/dbraw/zinc/35/49/27/569354927.db2.gz FVAALYDFFCXCIH-HZHRSRAPSA-N 0 0 430.529 4.735 50 0 IJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCc3ccccc3)c2)C(=O)N1 ZINC000020182201 569355411 /nfs/dbraw/zinc/35/54/11/569355411.db2.gz YCLOXYZUDFZFMT-ATIYNZHBSA-N 0 0 427.504 4.695 50 0 IJAARN C[C@@H](C(=O)NCc1ccccc1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237429 569357477 /nfs/dbraw/zinc/35/74/77/569357477.db2.gz JOHMLDXGBGITOV-HXOBKFHXSA-N 0 0 434.536 4.786 50 0 IJAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000020242195 569358170 /nfs/dbraw/zinc/35/81/70/569358170.db2.gz NOLPNKCJYWTAEO-JGCGQSQUSA-N 0 0 446.572 4.852 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020319190 569360117 /nfs/dbraw/zinc/36/01/17/569360117.db2.gz BHONVZTYVQIXDR-NRFANRHFSA-N 0 0 438.325 4.928 50 0 IJAARN Cc1ccc2oc(=O)c3cnn(CC(=O)N(Cc4ccco4)[C@@H]4CCC[C@@H](C)[C@H]4C)c3c2c1 ZINC000020322007 569360284 /nfs/dbraw/zinc/36/02/84/569360284.db2.gz OXHYETYIZIKYIC-JBYIUTFZSA-N 0 0 447.535 4.898 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)c1 ZINC000020355824 569361379 /nfs/dbraw/zinc/36/13/79/569361379.db2.gz NUQYZEQLZFKXOL-HSZRJFAPSA-N 0 0 445.544 4.854 50 0 IJAARN Cc1cccc(N(CCC(N)=O)C(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c32)c1 ZINC000095349128 569361662 /nfs/dbraw/zinc/36/16/62/569361662.db2.gz XEGZMPZOZNHFDW-UHFFFAOYSA-N 0 0 440.503 4.598 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000095350587 569362050 /nfs/dbraw/zinc/36/20/50/569362050.db2.gz VWQAAUIDXIMPCH-GOSISDBHSA-N 0 0 437.515 4.529 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1ccc2nccnc2c1)C(F)(F)F ZINC000095408858 569365034 /nfs/dbraw/zinc/36/50/34/569365034.db2.gz ZFMVNEWTIOGJNG-FQEVSTJZSA-N 0 0 426.398 4.893 50 0 IJAARN Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417930 569365036 /nfs/dbraw/zinc/36/50/36/569365036.db2.gz OQKZWKUKZWJDCW-XMMPIXPASA-N 0 0 439.895 4.748 50 0 IJAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccc(OC)cc1 ZINC000020439110 569365764 /nfs/dbraw/zinc/36/57/64/569365764.db2.gz NFKDRKFXTGZODW-QJOMJCCJSA-N 0 0 433.552 4.699 50 0 IJAARN COc1ccc(CN(C(=O)c2cnc3c(c2)c(C)nn3C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000095459180 569369359 /nfs/dbraw/zinc/36/93/59/569369359.db2.gz HCSGYRYURNIQQS-IIBYNOLFSA-N 0 0 436.556 4.515 50 0 IJAARN O=C(c1cccnc1Nc1cccc(F)c1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000095459330 569369534 /nfs/dbraw/zinc/36/95/34/569369534.db2.gz AZSXGDVTLRGZIP-KRWDZBQOSA-N 0 0 446.404 4.672 50 0 IJAARN 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CCCc1ccc(C(=O)[C@H](C)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002644425 569414054 /nfs/dbraw/zinc/41/40/54/569414054.db2.gz GOUXTCHTKMCSQL-IBGZPJMESA-N 0 0 426.516 4.706 50 0 IJAARN CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000002646868 569414343 /nfs/dbraw/zinc/41/43/43/569414343.db2.gz MJBCMNPXZUWYIH-CQSZACIVSA-N 0 0 449.498 4.657 50 0 IJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1Cl ZINC000002649428 569414519 /nfs/dbraw/zinc/41/45/19/569414519.db2.gz IMHGJFAHSUNCCO-UHFFFAOYSA-N 0 0 425.287 4.830 50 0 IJAARN Cc1cc(C(=O)CSc2n[nH]c(COc3ccccc3C)n2)c(C)n1Cc1ccco1 ZINC000002650040 569414692 /nfs/dbraw/zinc/41/46/92/569414692.db2.gz PSTVDUDSNBCQTP-UHFFFAOYSA-N 0 0 436.537 4.727 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)NCc1ccccc1 ZINC000002652473 569414986 /nfs/dbraw/zinc/41/49/86/569414986.db2.gz BAJKLSBVGRSCAY-UHFFFAOYSA-N 0 0 436.487 4.621 50 0 IJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccccc1Cc1ccccc1 ZINC000002656860 569415511 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O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000056945234 569427969 /nfs/dbraw/zinc/42/79/69/569427969.db2.gz QRMVIYOEBMRMHD-OAQYLSRUSA-N 0 0 443.469 4.592 50 0 IJAARN CCc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 ZINC000057273668 569430506 /nfs/dbraw/zinc/43/05/06/569430506.db2.gz SQFREBBSYVZQAQ-RUZDIDTESA-N 0 0 433.577 4.755 50 0 IJAARN CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000057322579 569431132 /nfs/dbraw/zinc/43/11/32/569431132.db2.gz KGRSPDOWHRHVCX-NJXRFNICSA-N 0 0 442.515 4.704 50 0 IJAARN COc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1Cl ZINC000002955157 569432330 /nfs/dbraw/zinc/43/23/30/569432330.db2.gz FMFISBXCQVQLBE-COOPMVRXSA-N 0 0 449.894 4.775 50 0 IJAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000002962152 569432724 /nfs/dbraw/zinc/43/27/24/569432724.db2.gz GRCSJOZJBZMRRZ-INIZCTEOSA-N 0 0 436.558 4.765 50 0 IJAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H]([C@H](C)CC)C(=O)N32)cc1 ZINC000002964631 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COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)C(C)C)CC2 ZINC000003006333 569435132 /nfs/dbraw/zinc/43/51/32/569435132.db2.gz FHMNTEDHZNCKIJ-LJQANCHMSA-N 0 0 437.458 4.883 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)CCc1ccccc1)CC2 ZINC000003006477 569435167 /nfs/dbraw/zinc/43/51/67/569435167.db2.gz RTFPBVZEJPCWFY-XMMPIXPASA-N 0 0 449.522 4.981 50 0 IJAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(OC)cc1 ZINC000003005795 569435178 /nfs/dbraw/zinc/43/51/78/569435178.db2.gz BQLDSHCQFUYXJJ-JOCHJYFZSA-N 0 0 427.541 4.653 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003021874 569435986 /nfs/dbraw/zinc/43/59/86/569435986.db2.gz BAODAEUDZBPRDM-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000003022693 569436048 /nfs/dbraw/zinc/43/60/48/569436048.db2.gz FZGFSJQQALQLGA-UHFFFAOYSA-N 0 0 444.503 4.819 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000003022762 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ZINC000003301430 569445001 /nfs/dbraw/zinc/44/50/01/569445001.db2.gz QBJBOTFXDGDEDZ-LJQANCHMSA-N 0 0 431.508 4.760 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)c3cc4ccccc4o3)nc2c1 ZINC000003305071 569445238 /nfs/dbraw/zinc/44/52/38/569445238.db2.gz UEHCRGMNXUJEKR-UHFFFAOYSA-N 0 0 444.534 4.580 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2cn4cccnc4n2)n1C1CCCC1)CCCC3 ZINC000003307192 569445289 /nfs/dbraw/zinc/44/52/89/569445289.db2.gz RJZVNDNWIZKZNJ-UHFFFAOYSA-N 0 0 437.594 4.787 50 0 IJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)ccc12 ZINC000003318176 569445790 /nfs/dbraw/zinc/44/57/90/569445790.db2.gz ITOPAAWBBNSNOX-UHFFFAOYSA-N 0 0 443.455 4.704 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003319888 569445942 /nfs/dbraw/zinc/44/59/42/569445942.db2.gz MILALQRUWRFEHK-UHFFFAOYSA-N 0 0 431.769 4.643 50 0 IJAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1OC ZINC000003323816 569446068 /nfs/dbraw/zinc/44/60/68/569446068.db2.gz FXAIEJYAOFZPDS-UHFFFAOYSA-N 0 0 433.327 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/nfs/dbraw/zinc/44/71/55/569447155.db2.gz BZFWGQOWGYSRPX-UHFFFAOYSA-N 0 0 449.963 4.756 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccncc1 ZINC000003348078 569447211 /nfs/dbraw/zinc/44/72/11/569447211.db2.gz CGWCCLAGBPGYLS-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NCc3ccccc3Cl)cc12 ZINC000003348176 569447240 /nfs/dbraw/zinc/44/72/40/569447240.db2.gz HLWVNLNSZXULKR-UHFFFAOYSA-N 0 0 439.924 4.522 50 0 IJAARN O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003409710 569450068 /nfs/dbraw/zinc/45/00/68/569450068.db2.gz RDPHGDYLIOHREX-UHFFFAOYSA-N 0 0 434.728 4.651 50 0 IJAARN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000058106291 569447536 /nfs/dbraw/zinc/44/75/36/569447536.db2.gz VEMOKVMCGJCIBO-LJQANCHMSA-N 0 0 442.563 4.867 50 0 IJAARN CCc1ccc(N2C[C@H](C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000003354857 569447562 /nfs/dbraw/zinc/44/75/62/569447562.db2.gz DZOYJXXCGRVJOY-NVXWUHKLSA-N 0 0 441.984 4.780 50 0 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0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000030979714 569451981 /nfs/dbraw/zinc/45/19/81/569451981.db2.gz HJPZMGZLXIMKTA-HXUWFJFHSA-N 0 0 441.453 4.837 50 0 IJAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 ZINC000003486846 569452375 /nfs/dbraw/zinc/45/23/75/569452375.db2.gz UXTJBVAMMYPTKL-FQEVSTJZSA-N 0 0 438.325 4.854 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)N[C@H](C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000003491916 569452595 /nfs/dbraw/zinc/45/25/95/569452595.db2.gz CKWSTSWRYRWXQB-LJQANCHMSA-N 0 0 443.572 4.723 50 0 IJAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)noc1C ZINC000003520549 569453200 /nfs/dbraw/zinc/45/32/00/569453200.db2.gz MUPFXBJGMQPJTD-UHFFFAOYSA-N 0 0 429.856 4.572 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c2cccnc12 ZINC000031093117 569453449 /nfs/dbraw/zinc/45/34/49/569453449.db2.gz XKZWWBGFDNIYHI-UHFFFAOYSA-N 0 0 429.451 4.952 50 0 IJAARN COCCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)C(C)(C)C ZINC000003548388 569453748 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0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)n1 ZINC000031816346 569457992 /nfs/dbraw/zinc/45/79/92/569457992.db2.gz GOTYAPONKIOVQN-UHFFFAOYSA-N 0 0 447.516 4.725 50 0 IJAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000031903471 569458331 /nfs/dbraw/zinc/45/83/31/569458331.db2.gz SFUBBJNJHWJHEO-OAQYLSRUSA-N 0 0 444.579 4.522 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000031903893 569458342 /nfs/dbraw/zinc/45/83/42/569458342.db2.gz NFPDWNWXXBJCDK-UHFFFAOYSA-N 0 0 438.593 4.525 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004123006 569460024 /nfs/dbraw/zinc/46/00/24/569460024.db2.gz FASFIRPQWXLPTF-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN Nc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000004123152 569460081 /nfs/dbraw/zinc/46/00/81/569460081.db2.gz MTXQJEROODZVNG-HSZRJFAPSA-N 0 0 441.314 4.583 50 0 IJAARN O=C(NCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008275507 569462552 /nfs/dbraw/zinc/46/25/52/569462552.db2.gz UWLOIYXBDPHETJ-UHFFFAOYSA-N 0 0 427.548 4.879 50 0 IJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000038488176 569462982 /nfs/dbraw/zinc/46/29/82/569462982.db2.gz XSVFGGRQJISDCQ-UHFFFAOYSA-N 0 0 446.551 4.698 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 ZINC000067209227 569464792 /nfs/dbraw/zinc/46/47/92/569464792.db2.gz XXVBGBYMNUOLHO-UHFFFAOYSA-N 0 0 449.557 4.689 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1F ZINC000067209181 569464825 /nfs/dbraw/zinc/46/48/25/569464825.db2.gz SMXNAQRTDLFQPR-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N(C)C2CCCCC2)c1 ZINC000067216969 569464917 /nfs/dbraw/zinc/46/49/17/569464917.db2.gz DJZGCBRZBQQXHU-UHFFFAOYSA-N 0 0 441.622 4.947 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000067216928 569464920 /nfs/dbraw/zinc/46/49/20/569464920.db2.gz FIKCTVGUEMNISF-HZPDHXFCSA-N 0 0 441.622 4.661 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C(C)C)c2=O)c1C ZINC000067218544 569465041 /nfs/dbraw/zinc/46/50/41/569465041.db2.gz INZBOGMZPSPBSM-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067236971 569465479 /nfs/dbraw/zinc/46/54/79/569465479.db2.gz FLDPHRSDDMXGTP-UHFFFAOYSA-N 0 0 438.940 4.715 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C(C)C)n(CCC(C)C)c(=O)c2[nH]1 ZINC000067238241 569465589 /nfs/dbraw/zinc/46/55/89/569465589.db2.gz RJDQGKNPUBLYPA-UHFFFAOYSA-N 0 0 426.586 4.933 50 0 IJAARN Cc1cc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000067245625 569465964 /nfs/dbraw/zinc/46/59/64/569465964.db2.gz JSXIOAFKMIGCOD-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000067257642 569466126 /nfs/dbraw/zinc/46/61/26/569466126.db2.gz RTPSVFIJJKSUTQ-UHFFFAOYSA-N 0 0 444.354 4.954 50 0 IJAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000067260288 569466299 /nfs/dbraw/zinc/46/62/99/569466299.db2.gz FNSYTLXWHFMHRF-UHFFFAOYSA-N 0 0 432.480 4.979 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261723 569466558 /nfs/dbraw/zinc/46/65/58/569466558.db2.gz GRANLTNGDWKOCJ-UHFFFAOYSA-N 0 0 438.318 4.609 50 0 IJAARN COc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc5oc(=O)ccc5c4)ccc3C(=O)O2)cc1 ZINC000067320989 569468601 /nfs/dbraw/zinc/46/86/01/569468601.db2.gz NOCXGHIHBATSAG-QHCPKHFHSA-N 0 0 441.439 4.508 50 0 IJAARN CC(C)Cn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccccc1F ZINC000008651361 569469667 /nfs/dbraw/zinc/46/96/67/569469667.db2.gz CLQOAKPNQKVZLG-UHFFFAOYSA-N 0 0 442.585 4.971 50 0 IJAARN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000008704181 569470305 /nfs/dbraw/zinc/47/03/05/569470305.db2.gz QSZKAJJYJIHVLR-LJQANCHMSA-N 0 0 449.532 4.505 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000008708156 569470674 /nfs/dbraw/zinc/47/06/74/569470674.db2.gz ZGTLSAIHRZKJQH-UHFFFAOYSA-N 0 0 438.325 4.552 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000008710251 569470895 /nfs/dbraw/zinc/47/08/95/569470895.db2.gz KGGJYOZIXDNKMK-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000008720145 569471486 /nfs/dbraw/zinc/47/14/86/569471486.db2.gz BATTXCBDKLJLII-NSHDSACASA-N 0 0 427.327 4.929 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(C(F)(F)F)c2)NC(=O)N1C1CC1 ZINC000008728378 569472416 /nfs/dbraw/zinc/47/24/16/569472416.db2.gz QDRULSMKNNSEHY-LJQANCHMSA-N 0 0 433.405 4.986 50 0 IJAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000008747318 569473076 /nfs/dbraw/zinc/47/30/76/569473076.db2.gz KLQGNSXLGVBQSV-UHFFFAOYSA-N 0 0 431.359 4.686 50 0 IJAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 ZINC000008749307 569473268 /nfs/dbraw/zinc/47/32/68/569473268.db2.gz KMRZIALJJWHFLF-RXVVDRJESA-N 0 0 435.597 4.542 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCOCC1)occ3-c1ccc(Cl)cc1 ZINC000008752020 569473545 /nfs/dbraw/zinc/47/35/45/569473545.db2.gz BCZAJVPRIQNPLY-UHFFFAOYSA-N 0 0 437.879 4.569 50 0 IJAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@](O)(C(F)(F)F)C2)cc1OC ZINC000008753846 569473717 /nfs/dbraw/zinc/47/37/17/569473717.db2.gz BHQLXJBASVDSSO-HXUWFJFHSA-N 0 0 449.454 4.693 50 0 IJAARN COc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C ZINC000008753779 569473726 /nfs/dbraw/zinc/47/37/26/569473726.db2.gz ACODDEVBKYLVHY-UHFFFAOYSA-N 0 0 425.448 4.645 50 0 IJAARN COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000008754194 569473814 /nfs/dbraw/zinc/47/38/14/569473814.db2.gz OJBBVAIKZJAMBH-GFCCVEGCSA-N 0 0 441.753 4.579 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000008758379 569474189 /nfs/dbraw/zinc/47/41/89/569474189.db2.gz NDEKTFNMAUXRSD-OAQYLSRUSA-N 0 0 441.531 4.640 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000008758533 569474262 /nfs/dbraw/zinc/47/42/62/569474262.db2.gz CKLYWMVSFUWJGP-FQEVSTJZSA-N 0 0 441.531 4.931 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000008781809 569475716 /nfs/dbraw/zinc/47/57/16/569475716.db2.gz WHOFGVNHDJHISZ-REWPJTCUSA-N 0 0 427.928 4.846 50 0 IJAARN CCCCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789009 569475853 /nfs/dbraw/zinc/47/58/53/569475853.db2.gz TVKYAQJUIQZBQP-DFBJGRDBSA-N 0 0 435.955 4.653 50 0 biogenic IJAARN CCCCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789008 569475902 /nfs/dbraw/zinc/47/59/02/569475902.db2.gz TVKYAQJUIQZBQP-CLOONOSVSA-N 0 0 435.955 4.653 50 0 biogenic IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccc(CCO)cc1)oc1c3CCCC1 ZINC000008791734 569476248 /nfs/dbraw/zinc/47/62/48/569476248.db2.gz ZFUVSFBPFJYLLJ-UHFFFAOYSA-N 0 0 445.515 4.833 50 0 biogenic IJAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000008808527 569476547 /nfs/dbraw/zinc/47/65/47/569476547.db2.gz HNBKUGRGJBRPFP-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000008825020 569477285 /nfs/dbraw/zinc/47/72/85/569477285.db2.gz ASFKHIOUIOBMEM-UHFFFAOYSA-N 0 0 442.519 4.645 50 0 IJAARN Cn1c(SCC(=O)Nc2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000008825649 569477434 /nfs/dbraw/zinc/47/74/34/569477434.db2.gz VCHFXAPHXCTVNX-UHFFFAOYSA-N 0 0 448.552 4.560 50 0 IJAARN CCCCN1c2ccc(NS(=O)(=O)c3cc(C)c(OCC)c(C)c3)cc2CCC1=O ZINC000008840789 569478378 /nfs/dbraw/zinc/47/83/78/569478378.db2.gz JOPWUIUKDIEWSG-UHFFFAOYSA-N 0 0 430.570 4.582 50 0 IJAARN CSc1nc2n(n1)[C@@H](c1ccc(C(F)(F)F)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000008843519 569478461 /nfs/dbraw/zinc/47/84/61/569478461.db2.gz YCFFHJBCQZGSLE-KRWDZBQOSA-N 0 0 445.470 4.946 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)cc1 ZINC000008844166 569478513 /nfs/dbraw/zinc/47/85/13/569478513.db2.gz HOMVIUDMIZHLCU-UHFFFAOYSA-N 0 0 448.548 4.715 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1nnc2sc3c(c2c1=O)CCCC3 ZINC000008844178 569478596 /nfs/dbraw/zinc/47/85/96/569478596.db2.gz KUTJEIVUFGOOFY-OAHLLOKOSA-N 0 0 446.532 4.724 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)o2)cc1 ZINC000008844584 569478635 /nfs/dbraw/zinc/47/86/35/569478635.db2.gz QIPDQJVHOHKPMT-QGZVFWFLSA-N 0 0 432.929 4.727 50 0 IJAARN CCOc1ccc([C@H]2c3c([nH]nc3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845249 569478723 /nfs/dbraw/zinc/47/87/23/569478723.db2.gz XKOJUBFHVLTKPJ-DEOSSOPVSA-N 0 0 429.476 4.828 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 ZINC000008851094 569479356 /nfs/dbraw/zinc/47/93/56/569479356.db2.gz YXCVUKFYIAABKA-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000008851567 569479418 /nfs/dbraw/zinc/47/94/18/569479418.db2.gz XPRDTPGADWNBAR-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852050 569479430 /nfs/dbraw/zinc/47/94/30/569479430.db2.gz FHNCXQMTWIODIZ-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN Cc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1C ZINC000008852038 569479437 /nfs/dbraw/zinc/47/94/37/569479437.db2.gz ADIXIKMQJKJOAE-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN COc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000008852482 569479518 /nfs/dbraw/zinc/47/95/18/569479518.db2.gz JBQUNUWCRYKWJK-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 ZINC000008852985 569479570 /nfs/dbraw/zinc/47/95/70/569479570.db2.gz JCALNRYXUVGGJQ-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN COc1cc(C(=O)N[C@@H](C)c2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000008861414 569479974 /nfs/dbraw/zinc/47/99/74/569479974.db2.gz TWHAFTCFUKIGOX-HNNXBMFYSA-N 0 0 441.325 4.923 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4cccnc4)o3)[C@@H](c3ccco3)C2)cc1 ZINC000008862280 569480139 /nfs/dbraw/zinc/48/01/39/569480139.db2.gz MWTCYQFSYHKLNA-LJQANCHMSA-N 0 0 445.504 4.503 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N(C)Cc1ccccc1 ZINC000008862435 569480194 /nfs/dbraw/zinc/48/01/94/569480194.db2.gz YDAXKCJYKLCPKH-NSHDSACASA-N 0 0 428.867 4.541 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(=O)c3cc(Cl)ccc3o1)CCCC2 ZINC000008869627 569480414 /nfs/dbraw/zinc/48/04/14/569480414.db2.gz HMSJUGVOWYXCHM-UHFFFAOYSA-N 0 0 431.897 4.816 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)coc2c1C ZINC000008869195 569480427 /nfs/dbraw/zinc/48/04/27/569480427.db2.gz AMZTWTMSJVDAAT-UHFFFAOYSA-N 0 0 440.565 4.796 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008869376 569480428 /nfs/dbraw/zinc/48/04/28/569480428.db2.gz OWYDQCGXIHFGJT-IWGBCORSSA-N 0 0 439.964 4.722 50 0 IJAARN CCCOc1cccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008869784 569480489 /nfs/dbraw/zinc/48/04/89/569480489.db2.gz LUDWIOVCVGWMNG-JOCHJYFZSA-N 0 0 443.609 4.602 50 0 IJAARN COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCCC4)nn3)s2)cc1 ZINC000008875792 569481079 /nfs/dbraw/zinc/48/10/79/569481079.db2.gz QTHVTJPVVIQTNZ-UHFFFAOYSA-N 0 0 440.594 4.689 50 0 IJAARN COc1ccc2c(c1)C=C1[C@H](N2)Sc2nc(-c3ccc(Cl)cc3Cl)nn2[C@H]1O ZINC000039930151 569481983 /nfs/dbraw/zinc/48/19/83/569481983.db2.gz XPJWSGFWWJFPAQ-MSOLQXFVSA-N 0 0 433.320 4.692 50 0 IJAARN Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3c(F)cc(F)cc3Br)cc2c1C ZINC000040023420 569482685 /nfs/dbraw/zinc/48/26/85/569482685.db2.gz KNNMVNVTOPWCIE-UHFFFAOYSA-N 0 0 437.240 4.621 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)nn1-c1ccc(Cl)cc1 ZINC000008883054 569482992 /nfs/dbraw/zinc/48/29/92/569482992.db2.gz NKFLGFHKRBOHTK-UHFFFAOYSA-N 0 0 440.233 4.701 50 0 IJAARN C[C@@H]1CCCC[C@@H]1n1c(SCCCn2c3ccccc3[nH]c2=O)nnc1-c1cccnc1 ZINC000008886949 569483228 /nfs/dbraw/zinc/48/32/28/569483228.db2.gz PZXRPPOSGXMORG-XLIONFOSSA-N 0 0 448.596 4.917 50 0 IJAARN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000040051001 569484312 /nfs/dbraw/zinc/48/43/12/569484312.db2.gz HFGFFLVNARPKFW-SJLPKXTDSA-N 0 0 439.606 4.759 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008917150 569485966 /nfs/dbraw/zinc/48/59/66/569485966.db2.gz VAQAARJKELSSAH-JOCHJYFZSA-N 0 0 431.444 4.544 50 0 IJAARN COc1cc(NC(=O)c2ccc(C)c(F)c2)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000040087644 569486755 /nfs/dbraw/zinc/48/67/55/569486755.db2.gz XHJMXYJZROLZMW-IYBDPMFKSA-N 0 0 428.504 4.807 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008932519 569487687 /nfs/dbraw/zinc/48/76/87/569487687.db2.gz PBLWCNMKYFXRNE-UHFFFAOYSA-N 0 0 430.907 4.942 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000008938239 569488236 /nfs/dbraw/zinc/48/82/36/569488236.db2.gz WLVJTBUJGZYPFJ-CVEARBPZSA-N 0 0 427.545 4.550 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000008938234 569488249 /nfs/dbraw/zinc/48/82/49/569488249.db2.gz WLVJTBUJGZYPFJ-JKSUJKDBSA-N 0 0 427.545 4.550 50 0 IJAARN CCc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3[C@@H](C)COC)n2)cc1 ZINC000008942019 569488591 /nfs/dbraw/zinc/48/85/91/569488591.db2.gz XWVDZQHHBXICHC-HNNXBMFYSA-N 0 0 436.537 4.509 50 0 IJAARN COc1ccc([C@H](NC(=O)c2ccc(OCc3nccn3C)cc2)c2ccccc2)cc1 ZINC000040119420 569489403 /nfs/dbraw/zinc/48/94/03/569489403.db2.gz ZVLRNBKMTKAIHG-RUZDIDTESA-N 0 0 427.504 4.527 50 0 IJAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)C1 ZINC000040119821 569489465 /nfs/dbraw/zinc/48/94/65/569489465.db2.gz FBPCUFCEIKTLFQ-GJZGRUSLSA-N 0 0 427.599 4.722 50 0 IJAARN CC(C)CN1c2ccc(NC(=O)c3ccc(Br)o3)cc2OCC(C)(C)C1=O ZINC000008959074 569490320 /nfs/dbraw/zinc/49/03/20/569490320.db2.gz BKTFVFUTVSVGCY-UHFFFAOYSA-N 0 0 435.318 4.702 50 0 IJAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000040132473 569490408 /nfs/dbraw/zinc/49/04/08/569490408.db2.gz MOMRVLKUUMVLKM-MRXNPFEDSA-N 0 0 429.488 4.772 50 0 IJAARN CNC(=O)c1ccc(C)c(NC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c32)c1 ZINC000040133290 569490432 /nfs/dbraw/zinc/49/04/32/569490432.db2.gz QYGLYVXEGLCNTN-UHFFFAOYSA-N 0 0 426.476 4.688 50 0 IJAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCc2ccccc21 ZINC000040143251 569491875 /nfs/dbraw/zinc/49/18/75/569491875.db2.gz QHSQLFWPIHUPRT-UHFFFAOYSA-N 0 0 425.282 4.522 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000040152090 569493410 /nfs/dbraw/zinc/49/34/10/569493410.db2.gz SFDCTXGAPHMWMV-UHFFFAOYSA-N 0 0 434.254 4.797 50 0 IJAARN CCc1ccccc1O[C@H]1C(=O)N(Cc2cccc(NC(C)=O)c2)[C@H]1c1cccc(OC)c1 ZINC000040157774 569494404 /nfs/dbraw/zinc/49/44/04/569494404.db2.gz VYQXULRNMRVOOQ-IZZNHLLZSA-N 0 0 444.531 4.747 50 0 IJAARN Cc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2C2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000040157701 569494405 /nfs/dbraw/zinc/49/44/05/569494405.db2.gz BLBFKYNWZYAMSF-RPBOFIJWSA-N 0 0 444.531 4.532 50 0 IJAARN O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000040158137 569494542 /nfs/dbraw/zinc/49/45/42/569494542.db2.gz RHBTXVBJHSFFHV-UHFFFAOYSA-N 0 0 425.492 4.908 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N(C)CCCc3cc(-c4cccc(F)c4)n(C)n3)cs2)o1 ZINC000040158511 569494598 /nfs/dbraw/zinc/49/45/98/569494598.db2.gz YWPAEVFPOFLSTM-UHFFFAOYSA-N 0 0 438.528 4.956 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000008983216 569494642 /nfs/dbraw/zinc/49/46/42/569494642.db2.gz FZTVOOPKUIYCCM-UHFFFAOYSA-N 0 0 448.573 4.988 50 0 IJAARN COCCCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000008988542 569494982 /nfs/dbraw/zinc/49/49/82/569494982.db2.gz UVOJMYUUCCKPPW-UHFFFAOYSA-N 0 0 437.009 4.566 50 0 IJAARN CCOC(=O)c1sc2nc3c(cc2c1NC(=O)Oc1ccccc1)COC(C)(C)C3 ZINC000008990731 569495056 /nfs/dbraw/zinc/49/50/56/569495056.db2.gz UOPTWSLNXQLJDE-UHFFFAOYSA-N 0 0 426.494 4.935 50 0 IJAARN COc1cccc(CNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000040160191 569495057 /nfs/dbraw/zinc/49/50/57/569495057.db2.gz ZBBIFVVWRUAQJQ-UHFFFAOYSA-N 0 0 435.911 4.594 50 0 IJAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000008992681 569495375 /nfs/dbraw/zinc/49/53/75/569495375.db2.gz FZUWIIMRFUZLPW-UHFFFAOYSA-N 0 0 448.335 4.983 50 0 IJAARN CC(C)c1nc2sc3c(ncn(CC(=O)c4ccccc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000008993689 569495484 /nfs/dbraw/zinc/49/54/84/569495484.db2.gz WSIWCNVNEFCAOO-UHFFFAOYSA-N 0 0 447.560 4.864 50 0 IJAARN COc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000008994612 569495577 /nfs/dbraw/zinc/49/55/77/569495577.db2.gz WMALFOUVXQIPOL-OAHLLOKOSA-N 0 0 429.904 4.603 50 0 IJAARN COCCNC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O ZINC000008995472 569495634 /nfs/dbraw/zinc/49/56/34/569495634.db2.gz OFGCMXHTJLMALP-UHFFFAOYSA-N 0 0 439.895 4.782 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000069188429 569496580 /nfs/dbraw/zinc/49/65/80/569496580.db2.gz ZUNNLZYGTPBIRV-BBATYDOGSA-N 0 0 429.294 4.903 50 0 IJAARN CC(C)c1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009036202 569497329 /nfs/dbraw/zinc/49/73/29/569497329.db2.gz BEZWDQWCWXASSF-QGZVFWFLSA-N 0 0 438.549 4.903 50 0 IJAARN O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000040268246 569497546 /nfs/dbraw/zinc/49/75/46/569497546.db2.gz HIECLNULOFTUSV-HXUWFJFHSA-N 0 0 434.521 4.562 50 0 IJAARN CCCOc1c(Br)cc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000009053552 569498813 /nfs/dbraw/zinc/49/88/13/569498813.db2.gz JQRWRYXUCGUMPM-UHFFFAOYSA-N 0 0 431.330 4.700 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(-c4cccs4)n3)[C@@H](c3ccco3)C2)cc1 ZINC000009056831 569499173 /nfs/dbraw/zinc/49/91/73/569499173.db2.gz IRNMSRHFUYRLPD-QGZVFWFLSA-N 0 0 449.561 4.905 50 0 IJAARN CC(C)(C)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc(C(C)(C)C)c1O ZINC000009057913 569499224 /nfs/dbraw/zinc/49/92/24/569499224.db2.gz XJRRHEQFQHPISA-UHFFFAOYSA-N 0 0 428.617 4.852 50 0 IJAARN O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)C1c2ccccc2Oc2ccccc21 ZINC000009076554 569500302 /nfs/dbraw/zinc/50/03/02/569500302.db2.gz QYTQRAJOSCRZSY-FQEVSTJZSA-N 0 0 429.545 4.948 50 0 biogenic IJAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)C(C)(C)C)cc1 ZINC000040388266 569500891 /nfs/dbraw/zinc/50/08/91/569500891.db2.gz MOSYXIVDSHAHJG-VWLOTQADSA-N 0 0 447.554 4.808 50 0 IJAARN COc1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnc2)cc(OC)c1OC ZINC000009090604 569501030 /nfs/dbraw/zinc/50/10/30/569501030.db2.gz LYCFSVAMCXGKGY-UHFFFAOYSA-N 0 0 436.390 4.561 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000009110048 569502123 /nfs/dbraw/zinc/50/21/23/569502123.db2.gz WSDVBNRMLTTZOW-UZUQRXQVSA-N 0 0 426.476 4.910 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5F)CC4)sc3n2)cc1 ZINC000009117287 569503119 /nfs/dbraw/zinc/50/31/19/569503119.db2.gz MZGSENVIXDANDG-UHFFFAOYSA-N 0 0 435.528 4.760 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1ccc(F)cc1 ZINC000009118420 569503299 /nfs/dbraw/zinc/50/32/99/569503299.db2.gz JEMBWZZKNKXWBN-UHFFFAOYSA-N 0 0 439.556 4.914 50 0 IJAARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000009119772 569503660 /nfs/dbraw/zinc/50/36/60/569503660.db2.gz CNROTUFVHCKAKQ-JOCHJYFZSA-N 0 0 441.531 4.567 50 0 IJAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCC[C@H]1C ZINC000245328809 569503974 /nfs/dbraw/zinc/50/39/74/569503974.db2.gz PUJJCFTUKNZWHO-DLBZAZTESA-N 0 0 447.576 4.534 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(F)ccc4O)c3[C@@H]2c2ccccc2)cc1 ZINC000009124138 569504259 /nfs/dbraw/zinc/50/42/59/569504259.db2.gz NWJSPVDMIRWQLK-VWLOTQADSA-N 0 0 443.478 4.718 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2ccccc2F)cc1 ZINC000009124686 569504422 /nfs/dbraw/zinc/50/44/22/569504422.db2.gz CMPNJKZDJBYOBY-VWLOTQADSA-N 0 0 443.478 4.718 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C ZINC000245343642 569504493 /nfs/dbraw/zinc/50/44/93/569504493.db2.gz UYNSPRAVMCDDMR-PMAPCBKXSA-N 0 0 440.584 4.980 50 0 IJAARN Cc1ccc2c(CC(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)coc2c1 ZINC000009125197 569504565 /nfs/dbraw/zinc/50/45/65/569504565.db2.gz BIVRJPWAJNVRNU-OAQYLSRUSA-N 0 0 434.536 4.547 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000009125602 569504680 /nfs/dbraw/zinc/50/46/80/569504680.db2.gz QMVQUIPMNIKXBO-UHFFFAOYSA-N 0 0 433.430 4.785 50 0 IJAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl)CCCC2 ZINC000009126328 569504868 /nfs/dbraw/zinc/50/48/68/569504868.db2.gz GEXXYAOXEFECKA-UHFFFAOYSA-N 0 0 441.336 4.688 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000009126847 569505016 /nfs/dbraw/zinc/50/50/16/569505016.db2.gz OVZLXCSFSOOWDT-UHFFFAOYSA-N 0 0 432.343 4.887 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ncc(Cl)cc1Cl ZINC000009127510 569505240 /nfs/dbraw/zinc/50/52/40/569505240.db2.gz YWRRPNRLFXSGLV-UHFFFAOYSA-N 0 0 438.315 4.852 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cc4ccccc4o3)c2)cc1 ZINC000009130278 569505968 /nfs/dbraw/zinc/50/59/68/569505968.db2.gz ZPGWSTCUBURCBE-UHFFFAOYSA-N 0 0 436.489 4.803 50 0 IJAARN Cc1cccc(COc2ccccc2C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 ZINC000069417929 569506216 /nfs/dbraw/zinc/50/62/16/569506216.db2.gz WYAOLODDBPCYLV-UHFFFAOYSA-N 0 0 425.488 4.791 50 0 IJAARN CCOc1ccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)cc1 ZINC000040454415 569506509 /nfs/dbraw/zinc/50/65/09/569506509.db2.gz HMNOUJCIRBNNCS-QFIPXVFZSA-N 0 0 438.524 4.816 50 0 IJAARN CC1CCN(C(=O)COc2ccccc2-c2noc(COc3ccc(Cl)cc3)n2)CC1 ZINC000040488374 569506891 /nfs/dbraw/zinc/50/68/91/569506891.db2.gz GXZIKQFBZGFEMG-UHFFFAOYSA-N 0 0 441.915 4.606 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cc4ccccc4oc3=O)ccc1O2 ZINC000009135374 569507080 /nfs/dbraw/zinc/50/70/80/569507080.db2.gz GZWSXVRFOYUIIC-UHFFFAOYSA-N 0 0 426.428 4.736 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000009137053 569507172 /nfs/dbraw/zinc/50/71/72/569507172.db2.gz MVXQDENMQVYYIK-FBLLAGFSSA-N 0 0 448.906 4.790 50 0 IJAARN Cc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000009152394 569507824 /nfs/dbraw/zinc/50/78/24/569507824.db2.gz WJDMKGPBUJJPCV-UHFFFAOYSA-N 0 0 428.488 4.715 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000009153560 569508058 /nfs/dbraw/zinc/50/80/58/569508058.db2.gz QWLBGQQXBVVRNG-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1ccccc1F)n2C ZINC000009153602 569508137 /nfs/dbraw/zinc/50/81/37/569508137.db2.gz ZZCLLJLCPRLHOJ-UHFFFAOYSA-N 0 0 447.897 4.793 50 0 IJAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(F)cc5)nc4c32)cc1 ZINC000009158299 569508470 /nfs/dbraw/zinc/50/84/70/569508470.db2.gz OTXPTGONCGVPSG-NRFANRHFSA-N 0 0 440.434 4.931 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2OCC(C)(C)C1=O ZINC000009171974 569509460 /nfs/dbraw/zinc/50/94/60/569509460.db2.gz WZABUCAHQFZJIY-UHFFFAOYSA-N 0 0 442.581 4.528 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)ccc1F ZINC000009174294 569509591 /nfs/dbraw/zinc/50/95/91/569509591.db2.gz FFCKWENSRQQPSD-UHFFFAOYSA-N 0 0 448.560 4.733 50 0 IJAARN Cc1ccc(C)c(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C[C@H]2CCCO2)c1 ZINC000009179428 569509831 /nfs/dbraw/zinc/50/98/31/569509831.db2.gz WEQXGVCDAKUWFO-QGZVFWFLSA-N 0 0 442.968 4.821 50 0 IJAARN CC(C)COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009190705 569510567 /nfs/dbraw/zinc/51/05/67/569510567.db2.gz OVFOCFRYPMGKMH-QHCPKHFHSA-N 0 0 443.609 4.674 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1OC ZINC000009191832 569510689 /nfs/dbraw/zinc/51/06/89/569510689.db2.gz FUCRKUBSJWUXHQ-HXUWFJFHSA-N 0 0 448.862 4.608 50 0 IJAARN COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc(C)c2)S1 ZINC000009193067 569510846 /nfs/dbraw/zinc/51/08/46/569510846.db2.gz ZKURDKQLLCMCHF-QFIPXVFZSA-N 0 0 439.562 4.720 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009196931 569510984 /nfs/dbraw/zinc/51/09/84/569510984.db2.gz ZAHFGISURUBCRB-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN CC(=O)N(C)Cc1ccc(C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000009206777 569511412 /nfs/dbraw/zinc/51/14/12/569511412.db2.gz DXOQHVXJDSOJGU-UHFFFAOYSA-N 0 0 440.594 4.852 50 0 IJAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC000009216230 569512165 /nfs/dbraw/zinc/51/21/65/569512165.db2.gz RTJCTHPRXMXXJN-UHFFFAOYSA-N 0 0 429.731 4.661 50 0 IJAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)NC3CCCC3)CC2)s1 ZINC000009229200 569513713 /nfs/dbraw/zinc/51/37/13/569513713.db2.gz SMUDUNRBRMTNOZ-UHFFFAOYSA-N 0 0 435.593 4.911 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000009237179 569514189 /nfs/dbraw/zinc/51/41/89/569514189.db2.gz FGMDXZWIBYWVEE-FGZHOGPDSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009238162 569514253 /nfs/dbraw/zinc/51/42/53/569514253.db2.gz GICYIEITCMBFEN-NHCUHLMSSA-N 0 0 445.523 4.790 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238334 569514299 /nfs/dbraw/zinc/51/42/99/569514299.db2.gz DTOMAEGQLGABGB-PMACEKPBSA-N 0 0 449.486 4.621 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009240558 569514626 /nfs/dbraw/zinc/51/46/26/569514626.db2.gz KZNPEWPRZWKTDL-QHCPKHFHSA-N 0 0 440.499 4.949 50 0 IJAARN COc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009243697 569514918 /nfs/dbraw/zinc/51/49/18/569514918.db2.gz OIOHDCTUDLBBJY-DEOSSOPVSA-N 0 0 440.503 4.548 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccccc1N1CCCC1)NCc1ccco1 ZINC000009244486 569515056 /nfs/dbraw/zinc/51/50/56/569515056.db2.gz NVPJJBRHSGAZQQ-UHFFFAOYSA-N 0 0 435.549 4.541 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cn1 ZINC000009245180 569515296 /nfs/dbraw/zinc/51/52/96/569515296.db2.gz QDJPGSVAANMSFW-OAHLLOKOSA-N 0 0 445.144 4.544 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1C ZINC000009245438 569515352 /nfs/dbraw/zinc/51/53/52/569515352.db2.gz KLRJOYROWXXCMK-UHFFFAOYSA-N 0 0 436.581 4.949 50 0 IJAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000009249842 569515482 /nfs/dbraw/zinc/51/54/82/569515482.db2.gz IBWOQBYKICNSAR-LJQANCHMSA-N 0 0 449.576 4.642 50 0 IJAARN Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1OC(C)C ZINC000009249844 569515497 /nfs/dbraw/zinc/51/54/97/569515497.db2.gz OXNSLBTZDAYMTH-LJQANCHMSA-N 0 0 449.576 4.642 50 0 IJAARN COc1cc2oc(=O)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)c2cc1Cl ZINC000009253840 569516228 /nfs/dbraw/zinc/51/62/28/569516228.db2.gz MHXNCJHKJQRKQM-UHFFFAOYSA-N 0 0 441.789 4.843 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)s1 ZINC000009254042 569516319 /nfs/dbraw/zinc/51/63/19/569516319.db2.gz XNLXOKPRDOSCAQ-UHFFFAOYSA-N 0 0 427.892 4.673 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009254708 569516438 /nfs/dbraw/zinc/51/64/38/569516438.db2.gz SUSBLTWKESXEBV-KRWDZBQOSA-N 0 0 440.927 4.872 50 0 IJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009255025 569516451 /nfs/dbraw/zinc/51/64/51/569516451.db2.gz NSWYHFMDNIKAKC-UHFFFAOYSA-N 0 0 439.493 4.983 50 0 IJAARN Cc1nn(CCCC(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000009289645 569519598 /nfs/dbraw/zinc/51/95/98/569519598.db2.gz ABZYPQBZXWPFJK-KRWDZBQOSA-N 0 0 433.577 4.837 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=N1)[C@H](c1cccc(Cl)c1)O2 ZINC000009291374 569519847 /nfs/dbraw/zinc/51/98/47/569519847.db2.gz LFLPEGFPVWIPBS-PKTZIBPZSA-N 0 0 427.895 4.848 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293546 569520207 /nfs/dbraw/zinc/52/02/07/569520207.db2.gz KQGFMGGWTVMSPE-DHIUTWEWSA-N 0 0 427.895 4.848 50 0 IJAARN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)ccc1OCc1ccccc1 ZINC000009299826 569520593 /nfs/dbraw/zinc/52/05/93/569520593.db2.gz UBGCSNZQQUDKEK-HSZRJFAPSA-N 0 0 449.576 4.568 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C(C)C)c1 ZINC000009303849 569521070 /nfs/dbraw/zinc/52/10/70/569521070.db2.gz FLHFTOUUAOSJKO-HNNXBMFYSA-N 0 0 431.587 4.631 50 0 IJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(COc3c(C)cccc3C)n2C(C)C)n1 ZINC000009303875 569521087 /nfs/dbraw/zinc/52/10/87/569521087.db2.gz 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Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccccc3Br)cc2)c1 ZINC000009335551 569523363 /nfs/dbraw/zinc/52/33/63/569523363.db2.gz BAYHWYOSDAYUQW-UHFFFAOYSA-N 0 0 439.309 4.918 50 0 IJAARN CN(C)C(=O)CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000009336733 569523439 /nfs/dbraw/zinc/52/34/39/569523439.db2.gz DOLHQTOPSOTDED-UHFFFAOYSA-N 0 0 433.002 4.626 50 0 IJAARN COc1cccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)c1 ZINC000009336828 569523472 /nfs/dbraw/zinc/52/34/72/569523472.db2.gz PEVYTYWVGRKDNQ-UHFFFAOYSA-N 0 0 425.539 4.616 50 0 IJAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2c(c1)OCCCO2 ZINC000009337618 569523599 /nfs/dbraw/zinc/52/35/99/569523599.db2.gz FRXMVHLAPVNRFH-QFIPXVFZSA-N 0 0 426.563 4.557 50 0 IJAARN Cc1c(O)ccc2c(C)c(CCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(=O)oc12 ZINC000009340317 569523872 /nfs/dbraw/zinc/52/38/72/569523872.db2.gz NALYJQXAXSVMNJ-UHFFFAOYSA-N 0 0 434.536 4.923 50 0 IJAARN COc1ccccc1-c1nc2c3c(C)c(C)n(-c4nc5ccccc5s4)c3ncn2n1 ZINC000009341028 569523895 /nfs/dbraw/zinc/52/38/95/569523895.db2.gz HAVKVDMLTUVTKK-UHFFFAOYSA-N 0 0 426.505 4.970 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C(=O)Nc3ccc(C)cc3)n2)cc(OC)c1OC ZINC000009345290 569524055 /nfs/dbraw/zinc/52/40/55/569524055.db2.gz RXPRYVXDKSYBOF-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)c(OC)c1 ZINC000009345174 569524065 /nfs/dbraw/zinc/52/40/65/569524065.db2.gz CYKXNCPBWSKQBA-XZOQPEGZSA-N 0 0 444.516 4.570 50 0 IJAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC ZINC000009346242 569524174 /nfs/dbraw/zinc/52/41/74/569524174.db2.gz FPZADLBOXBIKJM-UHFFFAOYSA-N 0 0 447.466 4.834 50 0 IJAARN COc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000009350362 569524837 /nfs/dbraw/zinc/52/48/37/569524837.db2.gz FKFGVTSLBAVIMT-FQEVSTJZSA-N 0 0 435.911 4.947 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000009355920 569525290 /nfs/dbraw/zinc/52/52/90/569525290.db2.gz CHJYIOWZHDMMDJ-UHFFFAOYSA-N 0 0 446.528 4.926 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000009365770 569526151 /nfs/dbraw/zinc/52/61/51/569526151.db2.gz KCEYIPXECOTJCU-UHFFFAOYSA-N 0 0 444.557 4.958 50 0 IJAARN O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)Nc1ccccc1F ZINC000009365828 569526153 /nfs/dbraw/zinc/52/61/53/569526153.db2.gz UDXOOTHQRDWMFX-UHFFFAOYSA-N 0 0 446.573 4.563 50 0 IJAARN Cc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C(C)(C)C)cc4)nn32)cc1F ZINC000041076580 569526451 /nfs/dbraw/zinc/52/64/51/569526451.db2.gz NKOXQSIQCZBDJI-UHFFFAOYSA-N 0 0 439.516 4.615 50 0 IJAARN Cc1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1-c1ccccc1 ZINC000009368123 569526591 /nfs/dbraw/zinc/52/65/91/569526591.db2.gz CLHBWFVELRWHMB-LJQANCHMSA-N 0 0 440.956 4.543 50 0 IJAARN CCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(C(F)(F)F)c1 ZINC000009368991 569526644 /nfs/dbraw/zinc/52/66/44/569526644.db2.gz YDRPSNXAYJTINW-UHFFFAOYSA-N 0 0 438.450 4.857 50 0 IJAARN CCCCOc1ccc(C(=O)NCc2nnc(SC)n2-c2cccc(Cl)c2)cc1 ZINC000009369007 569526647 /nfs/dbraw/zinc/52/66/47/569526647.db2.gz HFHNUBWRKPCAQQ-UHFFFAOYSA-N 0 0 430.961 4.752 50 0 IJAARN CCSc1nnc(CNC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1OC ZINC000009369011 569526686 /nfs/dbraw/zinc/52/66/86/569526686.db2.gz VBRGINVWISPONX-UHFFFAOYSA-N 0 0 437.352 4.625 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1ccc(F)cc1 ZINC000009372226 569526950 /nfs/dbraw/zinc/52/69/50/569526950.db2.gz LVSOSMJKZPSDNL-UHFFFAOYSA-N 0 0 436.487 4.621 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1-c1ccc(C)cc1 ZINC000009379110 569527729 /nfs/dbraw/zinc/52/77/29/569527729.db2.gz JMPXBXGJSIFPNH-IBGZPJMESA-N 0 0 449.605 4.950 50 0 IJAARN c1cnn(CCN(Cc2cc(-c3ccccc3)no2)Cc2cc(-c3ccccc3)no2)c1 ZINC000070004904 569527770 /nfs/dbraw/zinc/52/77/70/569527770.db2.gz CJXJLIIBVLOFAX-UHFFFAOYSA-N 0 0 425.492 4.896 50 0 IJAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)cc1 ZINC000009382209 569528249 /nfs/dbraw/zinc/52/82/49/569528249.db2.gz HAWQOLPLWKUBNZ-KRWDZBQOSA-N 0 0 445.591 4.563 50 0 IJAARN COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000009382494 569528274 /nfs/dbraw/zinc/52/82/74/569528274.db2.gz GEGSUQAUUKRBOE-UHFFFAOYSA-N 0 0 447.564 4.529 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2)cs1 ZINC000009387263 569528487 /nfs/dbraw/zinc/52/84/87/569528487.db2.gz HMBUPXDLGRPAEK-FQEVSTJZSA-N 0 0 431.517 4.691 50 0 IJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(F)cc1 ZINC000009390643 569528692 /nfs/dbraw/zinc/52/86/92/569528692.db2.gz VHKYZCJYLKGZAD-UHFFFAOYSA-N 0 0 441.480 4.944 50 0 IJAARN CC[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1 ZINC000009390817 569528764 /nfs/dbraw/zinc/52/87/64/569528764.db2.gz VAPGPONIIBUZHJ-CQSZACIVSA-N 0 0 430.961 4.750 50 0 IJAARN CCc1cccc(C)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1S[C@H](C)CC ZINC000009390850 569528766 /nfs/dbraw/zinc/52/87/66/569528766.db2.gz LOUOSLOUUOSFCV-QGZVFWFLSA-N 0 0 438.597 4.967 50 0 IJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000009391042 569528904 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/nfs/dbraw/zinc/55/03/69/569550369.db2.gz IQRHBJXJOPTYNK-DVECYGJZSA-N 0 0 449.528 4.541 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000009594624 569550618 /nfs/dbraw/zinc/55/06/18/569550618.db2.gz AGGAYFRVPFPORD-UHFFFAOYSA-N 0 0 428.532 4.675 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000009597047 569550797 /nfs/dbraw/zinc/55/07/97/569550797.db2.gz BDSCSBYOQZVTMH-UHFFFAOYSA-N 0 0 446.484 4.530 50 0 IJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2CC(=O)C(C)(C)C ZINC000009599066 569551174 /nfs/dbraw/zinc/55/11/74/569551174.db2.gz HOTUDRZUZKAOEU-UHFFFAOYSA-N 0 0 439.364 4.753 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009607194 569552011 /nfs/dbraw/zinc/55/20/11/569552011.db2.gz XXIMKIKOSXNPJL-SANMLTNESA-N 0 0 443.547 4.600 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1cccs1 ZINC000009608572 569552165 /nfs/dbraw/zinc/55/21/65/569552165.db2.gz TZIXGMKXRSBCAH-GOSISDBHSA-N 0 0 426.567 4.792 50 0 IJAARN COc1ccccc1CNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000009609398 569552297 /nfs/dbraw/zinc/55/22/97/569552297.db2.gz RHABCYHVFCULGR-UHFFFAOYSA-N 0 0 446.526 4.718 50 0 IJAARN CCOc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000009609284 569552331 /nfs/dbraw/zinc/55/23/31/569552331.db2.gz GVOBHAIWXMJAPB-UHFFFAOYSA-N 0 0 442.563 4.703 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009609722 569552405 /nfs/dbraw/zinc/55/24/05/569552405.db2.gz SEWANBDHVCKRNJ-UHFFFAOYSA-N 0 0 442.591 4.906 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3cccc(C(C)=O)c3)c(C)n2n1 ZINC000009609783 569552445 /nfs/dbraw/zinc/55/24/45/569552445.db2.gz MDTLBOUBQFXXDY-UHFFFAOYSA-N 0 0 442.519 4.796 50 0 IJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1 ZINC000009610745 569552565 /nfs/dbraw/zinc/55/25/65/569552565.db2.gz WGUWCSXCEIETMB-UHFFFAOYSA-N 0 0 425.484 4.669 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000009610751 569552652 /nfs/dbraw/zinc/55/26/52/569552652.db2.gz UMIFLFNBVHLYSN-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN COc1cc(OC)c(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1Cl ZINC000009611519 569552719 /nfs/dbraw/zinc/55/27/19/569552719.db2.gz ZQWSIFULJBYYPU-UHFFFAOYSA-N 0 0 436.899 4.662 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2Cl)c(=O)n1Cc1ccccc1)CCC3 ZINC000009615399 569553204 /nfs/dbraw/zinc/55/32/04/569553204.db2.gz SNCUVILWIYSKPT-UHFFFAOYSA-N 0 0 440.927 4.603 50 0 IJAARN COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000009615896 569553262 /nfs/dbraw/zinc/55/32/62/569553262.db2.gz YHZKUIGGTLXOSF-KUHUBIRLSA-N 0 0 440.594 4.965 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NCc1cccs1 ZINC000009631737 569553796 /nfs/dbraw/zinc/55/37/96/569553796.db2.gz XBRDEJWYZFRYDW-UHFFFAOYSA-N 0 0 438.553 4.603 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2C2CCCCC2)cc1 ZINC000009631720 569553810 /nfs/dbraw/zinc/55/38/10/569553810.db2.gz NFZQQZASGWGTGG-UHFFFAOYSA-N 0 0 436.581 4.867 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(Cl)cc1F ZINC000009631668 569553812 /nfs/dbraw/zinc/55/38/12/569553812.db2.gz NOBQXBPMDIKBHA-UHFFFAOYSA-N 0 0 439.221 4.925 50 0 IJAARN CCOc1ccccc1C=C(C(=O)Nc1ccccc1OC)C(=O)Nc1ccccc1OC ZINC000009632259 569553954 /nfs/dbraw/zinc/55/39/54/569553954.db2.gz NOZABZZSOVHANZ-UHFFFAOYSA-N 0 0 446.503 4.763 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)=O)ccc1C ZINC000009632619 569554034 /nfs/dbraw/zinc/55/40/34/569554034.db2.gz LZJGBTOZMROEET-UHFFFAOYSA-N 0 0 436.533 4.665 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1c(C)cccc1C ZINC000009632685 569554063 /nfs/dbraw/zinc/55/40/63/569554063.db2.gz KLUOWWYBZCKVDO-UHFFFAOYSA-N 0 0 446.334 4.959 50 0 IJAARN Cc1ccc(NC(=O)[C@H](OC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2ccccc2)cc1 ZINC000009634967 569554565 /nfs/dbraw/zinc/55/45/65/569554565.db2.gz UBIJZMSEFXUDRX-JTHBVZDNSA-N 0 0 446.528 4.721 50 0 IJAARN COCCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1cccc(C)c1 ZINC000009639124 569555122 /nfs/dbraw/zinc/55/51/22/569555122.db2.gz HDCBCLGWERTYOQ-UHFFFAOYSA-N 0 0 441.944 4.896 50 0 IJAARN Cc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000009640682 569555486 /nfs/dbraw/zinc/55/54/86/569555486.db2.gz TXHIABOPDNMEKK-UHFFFAOYSA-N 0 0 434.565 4.862 50 0 IJAARN CCn1nc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2c1=O ZINC000009643009 569555891 /nfs/dbraw/zinc/55/58/91/569555891.db2.gz LUSIXYOFXHNNLX-UHFFFAOYSA-N 0 0 430.533 4.671 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000009644526 569556025 /nfs/dbraw/zinc/55/60/25/569556025.db2.gz AWZXSNPJSXIBNL-LJQANCHMSA-N 0 0 435.578 4.809 50 0 IJAARN CCOCCCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccncc1 ZINC000009647210 569556391 /nfs/dbraw/zinc/55/63/91/569556391.db2.gz UZHJSZBWFOANNX-KRWDZBQOSA-N 0 0 449.580 4.920 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 ZINC000009647818 569556511 /nfs/dbraw/zinc/55/65/11/569556511.db2.gz ASXKFHUQSGQHRF-HXUWFJFHSA-N 0 0 442.972 4.767 50 0 IJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000009665991 569557642 /nfs/dbraw/zinc/55/76/42/569557642.db2.gz ROOVKGBJCVITSP-UHFFFAOYSA-N 0 0 435.505 4.508 50 0 IJAARN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000009668201 569557931 /nfs/dbraw/zinc/55/79/31/569557931.db2.gz FXOAOCBAFPWXMU-UHFFFAOYSA-N 0 0 427.508 4.775 50 0 IJAARN O=S(=O)(c1ccc(Cl)s1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009671310 569558501 /nfs/dbraw/zinc/55/85/01/569558501.db2.gz WEINXTBKDZUJMQ-UHFFFAOYSA-N 0 0 427.956 4.630 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000009679256 569559898 /nfs/dbraw/zinc/55/98/98/569559898.db2.gz NEXSJYUDFAYPQF-DEOSSOPVSA-N 0 0 439.471 4.709 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000009684198 569560483 /nfs/dbraw/zinc/56/04/83/569560483.db2.gz QEJLGRBYOYLOIX-SFHVURJKSA-N 0 0 441.556 4.764 50 0 IJAARN CCc1ccc(-c2noc(CSc3nnc(COc4ccc(Cl)cc4)n3C)n2)cc1 ZINC000009684955 569560543 /nfs/dbraw/zinc/56/05/43/569560543.db2.gz KSGREPZGABMKLR-UHFFFAOYSA-N 0 0 441.944 4.952 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)NCc1ccccc1Cl)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685391 569560646 /nfs/dbraw/zinc/56/06/46/569560646.db2.gz CPKRNVDSNZRRBW-UHFFFAOYSA-N 0 0 430.957 4.763 50 0 IJAARN C[C@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009712253 569562180 /nfs/dbraw/zinc/56/21/80/569562180.db2.gz VFTJFSKMXBCRPQ-HNNXBMFYSA-N 0 0 437.550 4.695 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000009712183 569562189 /nfs/dbraw/zinc/56/21/89/569562189.db2.gz XEHSFHCDTOSWDY-UHFFFAOYSA-N 0 0 439.924 4.619 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000009712777 569562399 /nfs/dbraw/zinc/56/23/99/569562399.db2.gz ZNHLFBKVBUYJRJ-UHFFFAOYSA-N 0 0 427.334 4.773 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1 ZINC000009738291 569564825 /nfs/dbraw/zinc/56/48/25/569564825.db2.gz HYLGWTSNRXWJIE-UHFFFAOYSA-N 0 0 425.558 4.568 50 0 IJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(Br)cc3)co2)n1 ZINC000009739628 569565070 /nfs/dbraw/zinc/56/50/70/569565070.db2.gz QALCAIHDCBBYEL-UHFFFAOYSA-N 0 0 438.324 4.679 50 0 IJAARN C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)[C@@H]1C ZINC000009744515 569565584 /nfs/dbraw/zinc/56/55/84/569565584.db2.gz PFSHLICEUJLCDA-HUUCEWRRSA-N 0 0 440.496 4.763 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)cc1 ZINC000009752401 569566090 /nfs/dbraw/zinc/56/60/90/569566090.db2.gz BJLHTSFBBWSNCT-UHFFFAOYSA-N 0 0 449.532 4.997 50 0 IJAARN Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cs2)cc1 ZINC000009763785 569566701 /nfs/dbraw/zinc/56/67/01/569566701.db2.gz HXVNSOLATNCQBK-UHFFFAOYSA-N 0 0 448.592 4.706 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000009777018 569567134 /nfs/dbraw/zinc/56/71/34/569567134.db2.gz SNIRWEWUQZWWRR-UHFFFAOYSA-N 0 0 425.282 4.991 50 0 IJAARN O=c1c2ccccc2nnn1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000009777698 569567183 /nfs/dbraw/zinc/56/71/83/569567183.db2.gz VRRPASNTZGGSQM-UHFFFAOYSA-N 0 0 438.944 4.568 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778672 569567243 /nfs/dbraw/zinc/56/72/43/569567243.db2.gz YOKYVPSSSOWUNR-LEWJYISDSA-N 0 0 434.854 4.540 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000009779881 569567469 /nfs/dbraw/zinc/56/74/69/569567469.db2.gz VZYIADQLTZTEKA-UHFFFAOYSA-N 0 0 446.334 4.638 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1cccs1 ZINC000009781189 569567550 /nfs/dbraw/zinc/56/75/50/569567550.db2.gz IUYPCVWPELBIFY-OAHLLOKOSA-N 0 0 440.619 4.951 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1cccs1 ZINC000009781184 569567590 /nfs/dbraw/zinc/56/75/90/569567590.db2.gz IUYPCVWPELBIFY-HNNXBMFYSA-N 0 0 440.619 4.951 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000009783459 569567822 /nfs/dbraw/zinc/56/78/22/569567822.db2.gz YCIOERJRINKHBO-UHFFFAOYSA-N 0 0 426.476 4.773 50 0 IJAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009789331 569568119 /nfs/dbraw/zinc/56/81/19/569568119.db2.gz IAFGHBGWMHSOCL-GFCCVEGCSA-N 0 0 443.579 4.986 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(COC(=O)c3ccccc3)nc(=O)c12 ZINC000009790569 569568155 /nfs/dbraw/zinc/56/81/55/569568155.db2.gz FHHUOEWNXKMHBQ-UHFFFAOYSA-N 0 0 447.516 4.519 50 0 IJAARN O=S(=O)(c1ccc(SCc2ncc(-c3ccccc3)o2)nc1)N1CCCCCC1 ZINC000009793872 569568319 /nfs/dbraw/zinc/56/83/19/569568319.db2.gz OHKLKVCQYVAWDZ-UHFFFAOYSA-N 0 0 429.567 4.594 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000009795557 569568464 /nfs/dbraw/zinc/56/84/64/569568464.db2.gz MBFXTTZLXNNMEW-KRWDZBQOSA-N 0 0 446.601 4.990 50 0 IJAARN CCN(Cc1ccccc1)C(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O ZINC000009805472 569568767 /nfs/dbraw/zinc/56/87/67/569568767.db2.gz VGPWSOOWCLMJGB-LTGZKZEYSA-N 0 0 437.337 4.658 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000009811835 569569025 /nfs/dbraw/zinc/56/90/25/569569025.db2.gz UZMACNAHGSUSRA-FUHWJXTLSA-N 0 0 439.943 4.624 50 0 IJAARN O=C(N[C@H]1CCSc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009818613 569569303 /nfs/dbraw/zinc/56/93/03/569569303.db2.gz DUYMIYYCWTZSHA-QFIPXVFZSA-N 0 0 426.545 4.960 50 0 IJAARN O=C(/C=C/c1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000009829732 569570175 /nfs/dbraw/zinc/57/01/75/569570175.db2.gz IGZTXAALXCGMQW-CMDGGOBGSA-N 0 0 429.501 4.709 50 0 IJAARN O=C(CSc1nnc(NC2CC2)s1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009831830 569570229 /nfs/dbraw/zinc/57/02/29/569570229.db2.gz WWZCNDNYDPIYGI-UHFFFAOYSA-N 0 0 448.577 4.696 50 0 IJAARN CSc1cccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](C)C2=O)c1 ZINC000009834049 569570465 /nfs/dbraw/zinc/57/04/65/569570465.db2.gz ACNZINMEAGGTTG-KRWDZBQOSA-N 0 0 429.545 4.620 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCCCCC3)nnc2-c2ccncc2)cc1C ZINC000009846813 569571089 /nfs/dbraw/zinc/57/10/89/569571089.db2.gz DIIWLWBYGMJCDQ-LJQANCHMSA-N 0 0 435.597 4.829 50 0 IJAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)COc3ccccc3)n2)cc1 ZINC000009847126 569571115 /nfs/dbraw/zinc/57/11/15/569571115.db2.gz JPOJQIPYJWLZMU-UHFFFAOYSA-N 0 0 441.535 4.838 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1C ZINC000009858940 569571770 /nfs/dbraw/zinc/57/17/70/569571770.db2.gz RTFWVAWKQALVFH-UHFFFAOYSA-N 0 0 447.556 4.898 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000009872162 569572415 /nfs/dbraw/zinc/57/24/15/569572415.db2.gz AUVGAGPUKQXHNZ-UHFFFAOYSA-N 0 0 433.537 4.891 50 0 IJAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000009874956 569572570 /nfs/dbraw/zinc/57/25/70/569572570.db2.gz JVYHAYYAMHNIJB-UHFFFAOYSA-N 0 0 443.576 4.747 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)nc2c1 ZINC000009885270 569572824 /nfs/dbraw/zinc/57/28/24/569572824.db2.gz VAHCIYAJQMZZDV-UHFFFAOYSA-N 0 0 432.505 4.555 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(cc3c4c(cccc24)CC3)s1 ZINC000009912052 569573286 /nfs/dbraw/zinc/57/32/86/569573286.db2.gz JMSPNPIOHZWVND-UHFFFAOYSA-N 0 0 436.558 4.741 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@H]1c1ccccc1F ZINC000009942602 569574025 /nfs/dbraw/zinc/57/40/25/569574025.db2.gz BARCCBZMZNRVGM-FQEVSTJZSA-N 0 0 438.528 4.870 50 0 IJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1coc(-c2cccs2)n1 ZINC000009949082 569574211 /nfs/dbraw/zinc/57/42/11/569574211.db2.gz DMNTVHGJKXVNEC-UHFFFAOYSA-N 0 0 443.528 4.679 50 0 IJAARN COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1 ZINC000009950913 569574401 /nfs/dbraw/zinc/57/44/01/569574401.db2.gz SSDYOVYNHRVFSA-AWEZNQCLSA-N 0 0 433.537 4.889 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000009952993 569574636 /nfs/dbraw/zinc/57/46/36/569574636.db2.gz VMTJWDILSNMGJX-UHFFFAOYSA-N 0 0 438.867 4.969 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 ZINC000009958873 569574948 /nfs/dbraw/zinc/57/49/48/569574948.db2.gz OEAOECPPSQDSFT-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 ZINC000009958877 569574976 /nfs/dbraw/zinc/57/49/76/569574976.db2.gz QFQHZEGMQKLYCD-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)c1 ZINC000009959566 569575171 /nfs/dbraw/zinc/57/51/71/569575171.db2.gz BWRMCVXBIRUVFM-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN COc1cccc(-n2c(=O)c3sccc3nc2SCCOc2ccc(F)cc2)c1 ZINC000071327583 569575314 /nfs/dbraw/zinc/57/53/14/569575314.db2.gz ZNOPBGMESCEXTH-UHFFFAOYSA-N 0 0 428.510 4.766 50 0 IJAARN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)Nc1ccc2c(c1)OCO2 ZINC000009970158 569576160 /nfs/dbraw/zinc/57/61/60/569576160.db2.gz LBIWUKVMZLNOAT-QFIPXVFZSA-N 0 0 432.501 4.624 50 0 IJAARN Cc1cc(CNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc(C)c1O ZINC000009984141 569576643 /nfs/dbraw/zinc/57/66/43/569576643.db2.gz BKQGMSGBJSGTRD-UHFFFAOYSA-N 0 0 438.597 4.511 50 0 IJAARN O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 ZINC000010166302 569578225 /nfs/dbraw/zinc/57/82/25/569578225.db2.gz VHIVTAMLLARHJM-UHFFFAOYSA-N 0 0 442.791 4.736 50 0 IJAARN Cc1ccc(C)c2sc(N3CCN(C(=O)CCSc4ccc(F)cc4)CC3)nc21 ZINC000010166333 569578266 /nfs/dbraw/zinc/57/82/66/569578266.db2.gz UOSFREYQVKCZSX-UHFFFAOYSA-N 0 0 429.586 4.883 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cc5cccnc5n(C)c4=O)cc3)sc2c1 ZINC000010188105 569578802 /nfs/dbraw/zinc/57/88/02/569578802.db2.gz NOYGURVWGFVENH-UHFFFAOYSA-N 0 0 426.501 4.771 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000010214620 569579182 /nfs/dbraw/zinc/57/91/82/569579182.db2.gz AOQKMDYSXWFAEK-IBGZPJMESA-N 0 0 448.592 4.946 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1OC ZINC000010233183 569579530 /nfs/dbraw/zinc/57/95/30/569579530.db2.gz WAUIWMIEOAYNNM-IBGZPJMESA-N 0 0 448.500 4.633 50 0 IJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000010233254 569579539 /nfs/dbraw/zinc/57/95/39/569579539.db2.gz CSXVAVAGTFFULD-UHFFFAOYSA-N 0 0 429.428 4.696 50 0 IJAARN COc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c(OC)c1OC ZINC000010235666 569579709 /nfs/dbraw/zinc/57/97/09/569579709.db2.gz VLXMSGFAIOMPHL-UHFFFAOYSA-N 0 0 446.956 4.995 50 0 IJAARN CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000071769016 569580823 /nfs/dbraw/zinc/58/08/23/569580823.db2.gz RQIXXOXFLVOZME-UHFFFAOYSA-N 0 0 441.812 4.504 50 0 IJAARN Cc1cc(Br)c(NC(=O)CN2CCc3sccc3C2)c(Br)c1 ZINC000010341138 569581394 /nfs/dbraw/zinc/58/13/94/569581394.db2.gz HKZZKZUEPPHPJN-UHFFFAOYSA-N 0 0 444.192 4.578 50 0 IJAARN COc1ccc(C(=O)N(CCCn2ccnc2)c2nc3ccc(C)cc3s2)cc1OC ZINC000010381564 569581641 /nfs/dbraw/zinc/58/16/41/569581641.db2.gz GTOWQRPFTBHZGG-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN COc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc21 ZINC000010381626 569581694 /nfs/dbraw/zinc/58/16/94/569581694.db2.gz YYEIVDSHSPHHIK-UHFFFAOYSA-N 0 0 432.958 4.953 50 0 IJAARN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000071847926 569582386 /nfs/dbraw/zinc/58/23/86/569582386.db2.gz YVHSUZQPLBKWCU-XMMPIXPASA-N 0 0 448.567 4.569 50 0 IJAARN O=C(Cn1cc(SCc2ccc(Br)cc2)c2ccccc21)N1CCOCC1 ZINC000010458112 569582432 /nfs/dbraw/zinc/58/24/32/569582432.db2.gz PMVXUQROOOHFKZ-UHFFFAOYSA-N 0 0 445.382 4.555 50 0 IJAARN O=C(NC(=S)Nc1nc2ccccc2s1)c1cc(Br)ccc1Cl ZINC000009013959 569583569 /nfs/dbraw/zinc/58/35/69/569583569.db2.gz XNIXYOHBIWYYOX-UHFFFAOYSA-N 0 0 426.748 4.839 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3ccccc3s2)C12CCCCC2 ZINC000020738479 569583913 /nfs/dbraw/zinc/58/39/13/569583913.db2.gz BHVJVYWPLPQDFK-OAQYLSRUSA-N 0 0 449.576 4.824 50 0 IJAARN O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1c2ccccc2Oc2ccccc21 ZINC000077101167 569585550 /nfs/dbraw/zinc/58/55/50/569585550.db2.gz YIZXRCJKUWLAQF-UHFFFAOYSA-N 0 0 439.437 4.969 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 ZINC000077184232 569585864 /nfs/dbraw/zinc/58/58/64/569585864.db2.gz QJDPTEIGMMHWOI-HSZRJFAPSA-N 0 0 440.337 4.762 50 0 IJAARN Cc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034675806 569587599 /nfs/dbraw/zinc/58/75/99/569587599.db2.gz LZMONFLAFBTJDX-UHFFFAOYSA-N 0 0 439.987 4.935 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(Br)c1OCC ZINC000000623327 193859740 /nfs/dbraw/zinc/85/97/40/193859740.db2.gz YHBJOXOXUMLWLK-GZTJUZNOSA-N 0 0 446.297 4.600 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000650607 193872042 /nfs/dbraw/zinc/87/20/42/193872042.db2.gz RJGKESDMSCXDFT-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)s1 ZINC000000654352 193874089 /nfs/dbraw/zinc/87/40/89/193874089.db2.gz ZRQAVNBKPLOBQF-FQEVSTJZSA-N 0 0 437.418 4.692 50 0 IJAARN CC(C)c1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 ZINC000000656159 193874710 /nfs/dbraw/zinc/87/47/10/193874710.db2.gz CSOHRVMPFYWPLJ-UHFFFAOYSA-N 0 0 448.588 4.590 50 0 IJAARN CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1 ZINC000009835111 193901349 /nfs/dbraw/zinc/90/13/49/193901349.db2.gz PCUBVJKTXZSCFS-INIZCTEOSA-N 0 0 438.574 4.801 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2cc(Cl)ccc2OC)CC1 ZINC000009835327 193901502 /nfs/dbraw/zinc/90/15/02/193901502.db2.gz PGWKSYRGLMXBQG-OAQYLSRUSA-N 0 0 443.931 4.536 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2Cc2cccs2)c2ccccc2)c1 ZINC000009831832 193899274 /nfs/dbraw/zinc/89/92/74/193899274.db2.gz KORMFYAQGWBGTM-HXUWFJFHSA-N 0 0 435.578 4.872 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)cc1 ZINC000002912648 132258584 /nfs/dbraw/zinc/25/85/84/132258584.db2.gz OUQWMGBVZQUQHT-SFHVURJKSA-N 0 0 438.568 4.766 50 0 IJAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC3(CC2)OCCO3)c1 ZINC000002974840 132259939 /nfs/dbraw/zinc/25/99/39/132259939.db2.gz PHJJQKICUROBDF-UHFFFAOYSA-N 0 0 426.520 4.739 50 0 IJAARN Cc1ccc(C)c(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1 ZINC000003101075 132261878 /nfs/dbraw/zinc/26/18/78/132261878.db2.gz HFTSTUGIDVTFQK-UHFFFAOYSA-N 0 0 444.461 4.831 50 0 IJAARN COc1cccc(NC(=O)C[C@H]2Nc3cc(Cl)ccc3N(Cc3ccccc3)C2=O)c1 ZINC000003330590 132263958 /nfs/dbraw/zinc/26/39/58/132263958.db2.gz NZLOWSQLFDPCMA-OAQYLSRUSA-N 0 0 435.911 4.705 50 0 IJAARN Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3)c2)c2ccccc2c1=O ZINC000003652336 132267074 /nfs/dbraw/zinc/26/70/74/132267074.db2.gz MFWLNDKPPZNEDW-UHFFFAOYSA-N 0 0 438.531 4.843 50 0 IJAARN O=C(CCCc1ccccc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000004748864 132273167 /nfs/dbraw/zinc/27/31/67/132273167.db2.gz FTRNIQOOWLSTCA-UHFFFAOYSA-N 0 0 427.548 4.610 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000005145718 132275124 /nfs/dbraw/zinc/27/51/24/132275124.db2.gz XVCCNEHFVAWPQY-PBHICJAKSA-N 0 0 426.561 4.895 50 0 IJAARN Cc1ccc(-c2csc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000008433025 132281694 /nfs/dbraw/zinc/28/16/94/132281694.db2.gz SGYWURKPPHQJNF-UHFFFAOYSA-N 0 0 444.560 4.718 50 0 IJAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000008443163 132282077 /nfs/dbraw/zinc/28/20/77/132282077.db2.gz LUBTYNYXJZNHRZ-UHFFFAOYSA-N 0 0 443.547 4.690 50 0 IJAARN CCCN(C(=O)c1c(C)oc2ncnc(N3CCOCC3)c21)c1ccc(Cl)c(Cl)c1 ZINC000008591251 132283980 /nfs/dbraw/zinc/28/39/80/132283980.db2.gz AAHHFTBTLKXTON-UHFFFAOYSA-N 0 0 449.338 4.731 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1 ZINC000008595768 132284808 /nfs/dbraw/zinc/28/48/08/132284808.db2.gz WOOQDVOTTDGQBP-UHFFFAOYSA-N 0 0 432.568 4.628 50 0 IJAARN Cc1cccc(CCNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)c1 ZINC000008600005 132286126 /nfs/dbraw/zinc/28/61/26/132286126.db2.gz ITQCTOAEVLPWIJ-UHFFFAOYSA-N 0 0 442.485 4.532 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 ZINC000008718488 132291570 /nfs/dbraw/zinc/29/15/70/132291570.db2.gz QNUKEQXFUIPILO-FDDCHVKYSA-N 0 0 434.517 4.908 50 0 IJAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009221207 132309444 /nfs/dbraw/zinc/30/94/44/132309444.db2.gz TWJAFCRJWHPRJW-LBPRGKRZSA-N 0 0 445.894 4.710 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)C3CCCC3)CC2)c1 ZINC000009228369 132309996 /nfs/dbraw/zinc/30/99/96/132309996.db2.gz YYFLMSZLQNQWSH-UHFFFAOYSA-N 0 0 447.535 4.533 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000009228410 132310007 /nfs/dbraw/zinc/31/00/07/132310007.db2.gz JAYVPAOIVVZIDP-UHFFFAOYSA-N 0 0 443.478 4.787 50 0 IJAARN Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000009289126 132312754 /nfs/dbraw/zinc/31/27/54/132312754.db2.gz SNJPSTZNTADOIG-UHFFFAOYSA-N 0 0 442.519 4.661 50 0 IJAARN Cc1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)cc1 ZINC000009546593 132321213 /nfs/dbraw/zinc/32/12/13/132321213.db2.gz SQDBVBJECJQBTL-UHFFFAOYSA-N 0 0 442.515 4.592 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000009613569 132323716 /nfs/dbraw/zinc/32/37/16/132323716.db2.gz VBKVEOWBPSWSPU-CXUHLZMHSA-N 0 0 440.543 4.830 50 0 IJAARN C[C@@H](C(=O)NCc1cccs1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692862 132326148 /nfs/dbraw/zinc/32/61/48/132326148.db2.gz IIKMUHNGWQRAAU-QVKFZJNVSA-N 0 0 440.565 4.847 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCc3ccccc3)C2=O)cc1 ZINC000009692920 132326224 /nfs/dbraw/zinc/32/62/24/132326224.db2.gz BEETXQCEKCRPNS-DVECYGJZSA-N 0 0 430.573 4.955 50 0 IJAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009727370 132327781 /nfs/dbraw/zinc/32/77/81/132327781.db2.gz QFKHDNHXRYDEQU-HNNXBMFYSA-N 0 0 443.598 4.853 50 0 IJAARN Cc1cccc(N2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)C[C@@H]2C)c1 ZINC000009831066 132329422 /nfs/dbraw/zinc/32/94/22/132329422.db2.gz GPAWRAGPRIZZJR-FQEVSTJZSA-N 0 0 434.547 4.968 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3sc(-c4ccccc4)c(C)c31)C[C@@H]2O ZINC000010215909 132335116 /nfs/dbraw/zinc/33/51/16/132335116.db2.gz XDKIOQUYLBCCMG-KRWDZBQOSA-N 0 0 433.533 4.738 50 0 IJAARN O=C(CN1C(=O)CSc2ccccc21)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010695392 132336246 /nfs/dbraw/zinc/33/62/46/132336246.db2.gz YRSYGKWAGFQQNO-HXUWFJFHSA-N 0 0 441.556 4.555 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1Cl ZINC000011118967 132337386 /nfs/dbraw/zinc/33/73/86/132337386.db2.gz HWJRKVRTNQBQOB-UHFFFAOYSA-N 0 0 426.925 4.717 50 0 IJAARN COC(=O)c1ccc(CN(C)CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 ZINC000012940149 132340918 /nfs/dbraw/zinc/34/09/18/132340918.db2.gz XSFCPWVPGDNCHD-QHCPKHFHSA-N 0 0 446.572 4.785 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000013028347 132342634 /nfs/dbraw/zinc/34/26/34/132342634.db2.gz QGKYBPIXOQEPGM-UHFFFAOYSA-N 0 0 428.561 4.891 50 0 IJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)cs1 ZINC000013357967 132346509 /nfs/dbraw/zinc/34/65/09/132346509.db2.gz LNPHCDMMCJBAKU-UHFFFAOYSA-N 0 0 448.013 4.591 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccccc1F ZINC000013568068 132350587 /nfs/dbraw/zinc/35/05/87/132350587.db2.gz QEUKSXZKBFWGPV-UHFFFAOYSA-N 0 0 443.478 4.787 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583849 132351148 /nfs/dbraw/zinc/35/11/48/132351148.db2.gz RQHSPJYYUJIBGU-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)c1C ZINC000012177380 518222459 /nfs/dbraw/zinc/22/24/59/518222459.db2.gz FUNOTASLIOUAFT-UHFFFAOYSA-N 0 0 445.475 4.694 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000021353903 518348915 /nfs/dbraw/zinc/34/89/15/518348915.db2.gz SVHOSDRTCOSJGD-UHFFFAOYSA-N 0 0 445.523 4.561 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000012772635 518407277 /nfs/dbraw/zinc/40/72/77/518407277.db2.gz LKXIUAGTIVNBON-NRFANRHFSA-N 0 0 431.460 4.559 50 0 IJAARN CC(C)(C)C(=O)CNC(=O)c1ccccc1SCc1cc(Cl)cc2c1OCOC2 ZINC000012902366 518555715 /nfs/dbraw/zinc/55/57/15/518555715.db2.gz OGJKCSHDIWMZGX-UHFFFAOYSA-N 0 0 433.957 4.844 50 0 IJAARN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000021437358 518670423 /nfs/dbraw/zinc/67/04/23/518670423.db2.gz GARUCNHIAUGCMF-RUZDIDTESA-N 0 0 428.557 4.959 50 0 IJAARN CC(C)(C)OC(=O)CSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 ZINC000035840010 518798297 /nfs/dbraw/zinc/79/82/97/518798297.db2.gz ZFLPGDRJVGFGHL-UHFFFAOYSA-N 0 0 425.432 4.980 50 0 IJAARN CC(C)(C)c1cc(CCC(=O)NCc2cccnc2-n2ccnc2)cc(C(C)(C)C)c1O ZINC000012520425 518997458 /nfs/dbraw/zinc/99/74/58/518997458.db2.gz HHXFAGLWSUUAQB-UHFFFAOYSA-N 0 0 434.584 4.817 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012929581 519016893 /nfs/dbraw/zinc/01/68/93/519016893.db2.gz VYFUKOKKKVXVJJ-UHFFFAOYSA-N 0 0 435.593 4.730 50 0 IJAARN CC(C)(C)c1ccc(C2=NC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)NC2=O)cc1 ZINC000020556621 519025782 /nfs/dbraw/zinc/02/57/82/519025782.db2.gz UVVVUZONNPSQCZ-UHFFFAOYSA-N 0 0 438.959 4.581 50 0 IJAARN CC(C)(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1 ZINC000012546068 519057866 /nfs/dbraw/zinc/05/78/66/519057866.db2.gz RICXTFHLXJKAFM-UHFFFAOYSA-N 0 0 444.560 4.809 50 0 IJAARN CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccccc1Cl ZINC000012164913 519485411 /nfs/dbraw/zinc/48/54/11/519485411.db2.gz LZEZQSGDDZDLQE-UHFFFAOYSA-N 0 0 432.952 4.949 50 0 IJAARN CC(C)CC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000016653549 519575707 /nfs/dbraw/zinc/57/57/07/519575707.db2.gz HJLXZMBVTQENAO-UHFFFAOYSA-N 0 0 445.512 4.761 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042130 519659428 /nfs/dbraw/zinc/65/94/28/519659428.db2.gz UAFWSRPFNHSEEO-QZTJIDSGSA-N 0 0 438.515 4.785 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1C[C@H](C)c1ccccc1 ZINC000021864754 519661482 /nfs/dbraw/zinc/66/14/82/519661482.db2.gz IMERFTDGWHLHBW-DCFHFQCYSA-N 0 0 447.579 4.929 50 0 IJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)C3(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000012866585 519668417 /nfs/dbraw/zinc/66/84/17/519668417.db2.gz OCNZQOOSCLAIPZ-UHFFFAOYSA-N 0 0 439.968 4.812 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000017087087 519722776 /nfs/dbraw/zinc/72/27/76/519722776.db2.gz MQHZQNGUINTJEP-UHFFFAOYSA-N 0 0 430.533 4.774 50 0 IJAARN CC(=O)Nc1ccc2nc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)cc(C)c2c1 ZINC000021704272 519734838 /nfs/dbraw/zinc/73/48/38/519734838.db2.gz YBPVJDIEIULECN-UHFFFAOYSA-N 0 0 430.552 4.974 50 0 IJAARN CC(C)COc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1 ZINC000011915527 519761891 /nfs/dbraw/zinc/76/18/91/519761891.db2.gz PAFSTDXKCGUDMF-UHFFFAOYSA-N 0 0 446.301 4.551 50 0 IJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[nH]c(=O)c21 ZINC000021784553 519784883 /nfs/dbraw/zinc/78/48/83/519784883.db2.gz URXYFQXXPDNVFI-MRXNPFEDSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1 ZINC000012600447 519796825 /nfs/dbraw/zinc/79/68/25/519796825.db2.gz NIJPNFVRPGIDEX-LJQANCHMSA-N 0 0 449.414 4.876 50 0 IJAARN CC(C)[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000021449014 519796912 /nfs/dbraw/zinc/79/69/12/519796912.db2.gz NHEMCIURXIYXNY-XMMPIXPASA-N 0 0 442.462 4.837 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000036764676 519798144 /nfs/dbraw/zinc/79/81/44/519798144.db2.gz TYRNYCWGVWJNGH-XMMPIXPASA-N 0 0 436.502 4.668 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000021852627 519833728 /nfs/dbraw/zinc/83/37/28/519833728.db2.gz YOUOTRDCYKYPKB-DEOSSOPVSA-N 0 0 442.991 4.918 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(c1ccc(Cl)cc1)C2=O ZINC000021852632 519833754 /nfs/dbraw/zinc/83/37/54/519833754.db2.gz HSQHQIGKFBLHCA-XMMPIXPASA-N 0 0 442.991 4.918 50 0 IJAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)n2)cc1 ZINC000012784361 519833872 /nfs/dbraw/zinc/83/38/72/519833872.db2.gz MZFKJUMBKVBLIY-UHFFFAOYSA-N 0 0 429.567 4.582 50 0 IJAARN CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3-c1nc3ccccc3s1)C(=O)N2 ZINC000032100382 519840669 /nfs/dbraw/zinc/84/06/69/519840669.db2.gz KEMSYQAHGAHVIS-QHCPKHFHSA-N 0 0 429.505 4.835 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cc(OC)ccc2Br)cc1 ZINC000021107212 519877549 /nfs/dbraw/zinc/87/75/49/519877549.db2.gz NCKATSXBTVJODM-ZDUSSCGKSA-N 0 0 448.313 4.625 50 0 IJAARN CCCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 ZINC000033036150 519880394 /nfs/dbraw/zinc/88/03/94/519880394.db2.gz QXYZWPMJTXPAOK-UHFFFAOYSA-N 0 0 431.359 4.979 50 0 IJAARN CC(C)c1nn2c(nc(CSc3ccccc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000020582817 519884215 /nfs/dbraw/zinc/88/42/15/519884215.db2.gz YEAXJELOVHSVNZ-UHFFFAOYSA-N 0 0 436.562 4.819 50 0 IJAARN CCCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000033058579 519898038 /nfs/dbraw/zinc/89/80/38/519898038.db2.gz FXXYDYRJXNIQPC-UHFFFAOYSA-N 0 0 443.572 4.877 50 0 IJAARN CCOCCCn1c(Sc2ncnc3cc(Cl)ccc32)nnc1-c1ccncc1 ZINC000012908856 519901531 /nfs/dbraw/zinc/90/15/31/519901531.db2.gz TWFSJCRHMSGWBS-UHFFFAOYSA-N 0 0 426.933 4.515 50 0 IJAARN CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 ZINC000012737576 519905240 /nfs/dbraw/zinc/90/52/40/519905240.db2.gz GFRXQTWQTDDGIN-UHFFFAOYSA-N 0 0 442.519 4.614 50 0 IJAARN CCCCC1CCC(C(=O)OCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000012854244 519919281 /nfs/dbraw/zinc/91/92/81/519919281.db2.gz HAZHORGWHXTHLN-UHFFFAOYSA-N 0 0 431.558 4.839 50 0 IJAARN CCCCCCC(=O)N1CCN(c2nc(CCC)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035908603 519953422 /nfs/dbraw/zinc/95/34/22/519953422.db2.gz FLRVJXBUQSDRJL-UHFFFAOYSA-N 0 0 448.615 4.695 50 0 IJAARN CCN(C(=O)[C@@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)c1cccc(C)c1 ZINC000033057675 520020312 /nfs/dbraw/zinc/02/03/12/520020312.db2.gz VQDGNVMDRQDISJ-OAHLLOKOSA-N 0 0 436.899 4.627 50 0 IJAARN CC(C)n1ncc2cc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)cnc21 ZINC000014711940 520079938 /nfs/dbraw/zinc/07/99/38/520079938.db2.gz OGHVGVQSUBGANA-UHFFFAOYSA-N 0 0 436.903 4.520 50 0 IJAARN CC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)cnc21 ZINC000012915269 520084885 /nfs/dbraw/zinc/08/48/85/520084885.db2.gz ZVHAIMQXOBMLDA-UHFFFAOYSA-N 0 0 441.535 4.656 50 0 IJAARN CCCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020841665 520095627 /nfs/dbraw/zinc/09/56/27/520095627.db2.gz SDIZKUYJYYCECG-UHFFFAOYSA-N 0 0 425.602 4.947 50 0 IJAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(C)n1 ZINC000012225925 520313988 /nfs/dbraw/zinc/31/39/88/520313988.db2.gz CVCIOCDRHMGBAC-UHFFFAOYSA-N 0 0 435.484 4.733 50 0 IJAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000012796648 520366497 /nfs/dbraw/zinc/36/64/97/520366497.db2.gz PTTHSLCINRBVRL-UHFFFAOYSA-N 0 0 443.956 4.881 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 ZINC000012597156 520458323 /nfs/dbraw/zinc/45/83/23/520458323.db2.gz DGPQNRMINRBMQW-UHFFFAOYSA-N 0 0 438.568 4.643 50 0 IJAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2ccc3oc(C)cc3c2)CC1 ZINC000014965304 520458516 /nfs/dbraw/zinc/45/85/16/520458516.db2.gz NGYAAHXJSPJCIN-UHFFFAOYSA-N 0 0 435.520 4.996 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012305547 520465377 /nfs/dbraw/zinc/46/53/77/520465377.db2.gz LYDTZDSTNFCNMK-UHFFFAOYSA-N 0 0 437.506 4.940 50 0 IJAARN CCN(CC)C(=O)[C@H](OC(=O)c1sc2cccc(F)c2c1COC)c1ccccc1 ZINC000012786540 520538744 /nfs/dbraw/zinc/53/87/44/520538744.db2.gz OEVOZONUSABWEU-HXUWFJFHSA-N 0 0 429.513 4.953 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)c1 ZINC000012627526 520560464 /nfs/dbraw/zinc/56/04/64/520560464.db2.gz ALKSDDRWGBDCCR-UHFFFAOYSA-N 0 0 438.597 4.905 50 0 IJAARN CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21 ZINC000012868551 520562477 /nfs/dbraw/zinc/56/24/77/520562477.db2.gz GCCAFQUPCJQFMP-GOSISDBHSA-N 0 0 442.762 4.771 50 0 IJAARN CCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)cc2C1=O ZINC000012817932 520565740 /nfs/dbraw/zinc/56/57/40/520565740.db2.gz QWWOSZLOSDBKMO-UHFFFAOYSA-N 0 0 447.516 4.661 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)CC1 ZINC000020466773 520569954 /nfs/dbraw/zinc/56/99/54/520569954.db2.gz UATYILRDXWUKPS-UHFFFAOYSA-N 0 0 438.549 4.743 50 0 IJAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)oc1c3ncn(Cc2ccccc2)c1=O ZINC000012324455 520576403 /nfs/dbraw/zinc/57/64/03/520576403.db2.gz UROBYTRDWGEOPT-UHFFFAOYSA-N 0 0 427.460 4.697 50 0 IJAARN CCCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(OC)cc2)C1=O ZINC000012420112 520600983 /nfs/dbraw/zinc/60/09/83/520600983.db2.gz OJLXGWZFCKMODP-SANMLTNESA-N 0 0 427.504 4.767 50 0 IJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)CC(C)(C)C)CC2)n1 ZINC000035925821 520676739 /nfs/dbraw/zinc/67/67/39/520676739.db2.gz PTLBICCVSODORQ-LJQANCHMSA-N 0 0 448.615 4.804 50 0 IJAARN CCCCNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000021094020 520683438 /nfs/dbraw/zinc/68/34/38/520683438.db2.gz CRTKTCJPZBJGKM-UHFFFAOYSA-N 0 0 432.568 4.502 50 0 IJAARN CCOc1cc(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)ccc1OC ZINC000012213720 520700042 /nfs/dbraw/zinc/70/00/42/520700042.db2.gz XKMHFLOPWZKRRS-DEOSSOPVSA-N 0 0 433.548 4.765 50 0 IJAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)ccc1O ZINC000021523878 520787259 /nfs/dbraw/zinc/78/72/59/520787259.db2.gz MCXDSHLXFSJMPD-HXUWFJFHSA-N 0 0 429.929 4.713 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000021043892 520799739 /nfs/dbraw/zinc/79/97/39/520799739.db2.gz IGGCANNXNPMEBE-IBGZPJMESA-N 0 0 446.931 4.832 50 0 IJAARN CCOC(=O)CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 ZINC000020895270 520811563 /nfs/dbraw/zinc/81/15/63/520811563.db2.gz RQWIWPSNOGGWHQ-UHFFFAOYSA-N 0 0 436.942 4.622 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)c1 ZINC000012553376 520817111 /nfs/dbraw/zinc/81/71/11/520817111.db2.gz JNBMNKNTXCUCKI-AWEZNQCLSA-N 0 0 435.546 4.760 50 0 IJAARN CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036045179 520875975 /nfs/dbraw/zinc/87/59/75/520875975.db2.gz AUDZUYVNDVCVQE-UHFFFAOYSA-N 0 0 438.519 4.774 50 0 IJAARN CCN(CC)c1cc(C(C)C)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 ZINC000036029269 520876738 /nfs/dbraw/zinc/87/67/38/520876738.db2.gz ARSNJWXVRKQLSU-HXUWFJFHSA-N 0 0 442.629 4.647 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3cc(C)n(CC)c3C)n2C)cc1 ZINC000022434646 520877620 /nfs/dbraw/zinc/87/76/20/520877620.db2.gz XVTUCLRMXFRKSI-UHFFFAOYSA-N 0 0 425.602 4.742 50 0 IJAARN CCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022293831 520887223 /nfs/dbraw/zinc/88/72/23/520887223.db2.gz JEOPSVRQWKSYSC-IAGOWNOFSA-N 0 0 429.586 4.621 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)N3CCc4ccccc43)N2C1=O ZINC000021936266 520893152 /nfs/dbraw/zinc/89/31/52/520893152.db2.gz SCWUQOBLBUPZHK-FPOVZHCZSA-N 0 0 446.576 4.546 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936380 520893578 /nfs/dbraw/zinc/89/35/78/520893578.db2.gz MZBCUEHGBGVCPE-UGSOOPFHSA-N 0 0 440.956 4.859 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000033128738 520906576 /nfs/dbraw/zinc/90/65/76/520906576.db2.gz VXOQHBOIGRHIAL-UHFFFAOYSA-N 0 0 443.503 4.639 50 0 IJAARN CCOC(=O)Cc1csc(NC(=O)c2cccnc2Sc2cc(C)ccc2C)n1 ZINC000022508878 520912898 /nfs/dbraw/zinc/91/28/98/520912898.db2.gz PMEROGYSPUVNOX-UHFFFAOYSA-N 0 0 427.551 4.664 50 0 IJAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000012554099 520922982 /nfs/dbraw/zinc/92/29/82/520922982.db2.gz JPVZIMHVYRLXCF-CVEARBPZSA-N 0 0 442.560 4.791 50 0 IJAARN CC1CCC(NC(=O)C2(c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)CC1 ZINC000033115464 520942964 /nfs/dbraw/zinc/94/29/64/520942964.db2.gz IVMJMZXNKFGDQS-UHFFFAOYSA-N 0 0 447.000 4.867 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1 ZINC000012902378 520948625 /nfs/dbraw/zinc/94/86/25/520948625.db2.gz AIXRVBJPAWYGLN-UHFFFAOYSA-N 0 0 429.929 4.531 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OCC ZINC000016645323 520952380 /nfs/dbraw/zinc/95/23/80/520952380.db2.gz QVQAYNKRBHVEGM-UHFFFAOYSA-N 0 0 438.549 4.770 50 0 IJAARN CCOc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000035527325 520968420 /nfs/dbraw/zinc/96/84/20/520968420.db2.gz CDGDABJXUWFVCI-NDEPHWFRSA-N 0 0 442.559 4.667 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCCCC3)cc2OC)cc1 ZINC000012690429 521064314 /nfs/dbraw/zinc/06/43/14/521064314.db2.gz UEEWTPKSIKYGIY-UHFFFAOYSA-N 0 0 440.540 4.564 50 0 IJAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000035972856 521088918 /nfs/dbraw/zinc/08/89/18/521088918.db2.gz UMKORUAUJDJDEQ-QHCPKHFHSA-N 0 0 449.551 4.899 50 0 IJAARN CCC(=O)N1c2ccccc2[C@@]2(SCC(=O)N2c2ccc3c(c2)oc2ccccc23)C1=O ZINC000012418299 521168568 /nfs/dbraw/zinc/16/85/68/521168568.db2.gz WUPLRQAVFZBSBM-RUZDIDTESA-N 0 0 442.496 4.802 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[C@H](C)CC ZINC000012418676 521197779 /nfs/dbraw/zinc/19/77/79/521197779.db2.gz DGJUSSXEGHCDGU-QGZVFWFLSA-N 0 0 437.005 4.763 50 0 IJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc(C)cc4)ccc3[nH]2)cc1 ZINC000015863788 521204159 /nfs/dbraw/zinc/20/41/59/521204159.db2.gz LNHMWQBAKMVBMT-UHFFFAOYSA-N 0 0 426.520 4.741 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530625 521226921 /nfs/dbraw/zinc/22/69/21/521226921.db2.gz OFDCWDXOHUCINC-JOCHJYFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3F)N2C1=O ZINC000021936177 521253222 /nfs/dbraw/zinc/25/32/22/521253222.db2.gz OLGBDXNXSOGKNQ-MOPGFXCFSA-N 0 0 438.528 4.735 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000013804424 521278558 /nfs/dbraw/zinc/27/85/58/521278558.db2.gz FYVZQPCVUPVEHX-UHFFFAOYSA-N 0 0 431.565 4.948 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035866423 521314202 /nfs/dbraw/zinc/31/42/02/521314202.db2.gz FXQGJKKKRKZHIM-QGZVFWFLSA-N 0 0 440.657 4.998 50 0 IJAARN CCOc1cccc(CC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1OCC ZINC000035399427 521327626 /nfs/dbraw/zinc/32/76/26/521327626.db2.gz JIOZJPRHZGLUSK-UHFFFAOYSA-N 0 0 445.563 4.761 50 0 biogenic IJAARN CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012125348 521341557 /nfs/dbraw/zinc/34/15/57/521341557.db2.gz LDZBUHKZMICAJF-UHFFFAOYSA-N 0 0 439.519 4.705 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CC2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036003677 521363756 /nfs/dbraw/zinc/36/37/56/521363756.db2.gz FMRGBFPWFYJXAV-OAHLLOKOSA-N 0 0 430.932 4.585 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(CC)C(=O)c2ccccc2Cl)c(C)n1CC ZINC000036027451 521387397 /nfs/dbraw/zinc/38/73/97/521387397.db2.gz JCDTVTMXJKTKPZ-INIZCTEOSA-N 0 0 432.948 4.688 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn21 ZINC000012621561 521389473 /nfs/dbraw/zinc/38/94/73/521389473.db2.gz FYSGOIDJUXKAPW-UHFFFAOYSA-N 0 0 447.516 4.678 50 0 IJAARN CCOC(=O)c1c(CSc2nnnn2C2CC2)nc2ccccc2c1-c1ccccc1 ZINC000015050595 521407253 /nfs/dbraw/zinc/40/72/53/521407253.db2.gz OMWWDSVYANRGME-UHFFFAOYSA-N 0 0 431.521 4.692 50 0 IJAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccnc3)C[C@H]21 ZINC000012196141 521433220 /nfs/dbraw/zinc/43/32/20/521433220.db2.gz QEUZMNUHHDHPTM-ZJSXRUAMSA-N 0 0 429.476 4.509 50 0 IJAARN CCOc1ccccc1-n1c(SCc2nc(CC(C)C)no2)nnc1-c1cccnc1 ZINC000012606670 521446824 /nfs/dbraw/zinc/44/68/24/521446824.db2.gz NYYYQEUQHAORPV-UHFFFAOYSA-N 0 0 436.541 4.602 50 0 IJAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1SC1CCCCC1)n(C)c(=O)n2C ZINC000035481103 521463151 /nfs/dbraw/zinc/46/31/51/521463151.db2.gz MPBIUMSYLQPMFV-UHFFFAOYSA-N 0 0 439.581 4.953 50 0 IJAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C ZINC000033320982 521495686 /nfs/dbraw/zinc/49/56/86/521495686.db2.gz ORCSACVHVLDBBD-UHFFFAOYSA-N 0 0 426.948 4.574 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)cc1 ZINC000017306506 521497114 /nfs/dbraw/zinc/49/71/14/521497114.db2.gz MVKWGGMLUCTZNT-SFHVURJKSA-N 0 0 447.535 4.665 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 ZINC000020515133 521500106 /nfs/dbraw/zinc/50/01/06/521500106.db2.gz PRKMFBLILAVBGG-GDLZYMKVSA-N 0 0 431.941 4.711 50 0 IJAARN CCC(CC)C(=O)Nc1cc(C)ccc1OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000035447981 521500944 /nfs/dbraw/zinc/50/09/44/521500944.db2.gz RVUVDVURLYKLKM-UHFFFAOYSA-N 0 0 439.581 4.897 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944489 521553269 /nfs/dbraw/zinc/55/32/69/521553269.db2.gz OXNULFQFXBKVLN-UHFFFAOYSA-N 0 0 430.508 4.603 50 0 biogenic IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445843 521573173 /nfs/dbraw/zinc/57/31/73/521573173.db2.gz OMANPMKCCGHYRA-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(C(=O)NCCCCc3ccccc3)cc2)c(C)c1Cl ZINC000023318078 521601255 /nfs/dbraw/zinc/60/12/55/521601255.db2.gz CJLNFBSVZXGYJO-UHFFFAOYSA-N 0 0 439.943 4.764 50 0 IJAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000035778233 521601265 /nfs/dbraw/zinc/60/12/65/521601265.db2.gz ZPJUXWJGMUHLSV-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1cccs1 ZINC000012390474 521620551 /nfs/dbraw/zinc/62/05/51/521620551.db2.gz LPPWDIYXIZJFMK-UHFFFAOYSA-N 0 0 432.567 4.670 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C1CCCCC1 ZINC000012408202 521621001 /nfs/dbraw/zinc/62/10/01/521621001.db2.gz HBHSBPAOMGZIOV-UHFFFAOYSA-N 0 0 432.586 4.875 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012507673 521639138 /nfs/dbraw/zinc/63/91/38/521639138.db2.gz DCMPSOPNYXIAHX-FBCSTPJJSA-N 0 0 434.584 4.592 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(C(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000016498227 521686593 /nfs/dbraw/zinc/68/65/93/521686593.db2.gz HYJCLLAZWBJVNC-UHFFFAOYSA-N 0 0 430.353 4.773 50 0 IJAARN CCCN1C(=O)N[C@H](c2cccc(NC(=O)C3CCCCC3)c2)C(C(=O)OC(C)C)=C1C ZINC000035711009 521701040 /nfs/dbraw/zinc/70/10/40/521701040.db2.gz NFWIAMGZBDDLBZ-JOCHJYFZSA-N 0 0 441.572 4.907 50 0 IJAARN CCOCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015677044 521706275 /nfs/dbraw/zinc/70/62/75/521706275.db2.gz XWQZFWNVQYBMKH-SANMLTNESA-N 0 0 439.600 4.512 50 0 IJAARN CCN1CCc2c(c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)nn2-c2ccccc2)C1 ZINC000034762419 521723690 /nfs/dbraw/zinc/72/36/90/521723690.db2.gz XAEUHZVJDPUXFZ-UHFFFAOYSA-N 0 0 448.586 4.617 50 0 IJAARN CCN1CCc2c(sc3nc(CC(C)C)nc(N4CCN(c5ccccc5)CC4)c23)C1 ZINC000035892914 521724899 /nfs/dbraw/zinc/72/48/99/521724899.db2.gz VQLFJUHKTXEZDS-UHFFFAOYSA-N 0 0 435.641 4.594 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1C ZINC000012907550 521751740 /nfs/dbraw/zinc/75/17/40/521751740.db2.gz CNCPXLOFTWWDHK-NSHDSACASA-N 0 0 437.443 4.744 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cc(F)ccc1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997222 521798718 /nfs/dbraw/zinc/79/87/18/521798718.db2.gz IKFPXNLZAXSIBD-HXUWFJFHSA-N 0 0 428.464 4.763 50 0 IJAARN COC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2C)c(F)cc1F ZINC000012822926 521880909 /nfs/dbraw/zinc/88/09/09/521880909.db2.gz FWQOVQTULIJCPF-UHFFFAOYSA-N 0 0 430.270 4.553 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000012387649 521887098 /nfs/dbraw/zinc/88/70/98/521887098.db2.gz WMDISYQQSDNPQM-UHFFFAOYSA-N 0 0 447.539 4.575 50 0 IJAARN COc1cc(-c2cc(CN(Cc3ccco3)C(=O)c3ccccc3)no2)cc(OC)c1OC ZINC000036012018 521894944 /nfs/dbraw/zinc/89/49/44/521894944.db2.gz OGMBKDBNBPBSHH-UHFFFAOYSA-N 0 0 448.475 4.803 50 0 IJAARN COc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)c1cc(C)nn1C)C2 ZINC000012159293 521898894 /nfs/dbraw/zinc/89/88/94/521898894.db2.gz LIBOKGBHOHIFPY-UHFFFAOYSA-N 0 0 433.533 4.654 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035724835 521964055 /nfs/dbraw/zinc/96/40/55/521964055.db2.gz KOOCYABWMGENGG-LPHOPBHVSA-N 0 0 437.569 4.997 50 0 IJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)NC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035867309 522056820 /nfs/dbraw/zinc/05/68/20/522056820.db2.gz VXSOJTAOLKYTLL-HOTGVXAUSA-N 0 0 443.661 4.960 50 0 IJAARN COc1cc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc43)C2)cc(OC)c1OC ZINC000012458379 522078101 /nfs/dbraw/zinc/07/81/01/522078101.db2.gz CJKHKVDAEFDPFY-SFHVURJKSA-N 0 0 433.504 4.601 50 0 IJAARN COc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)c2ccccc2n1 ZINC000012319744 522092642 /nfs/dbraw/zinc/09/26/42/522092642.db2.gz WUHOKDMKBZCLGA-SANMLTNESA-N 0 0 434.499 4.908 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035928447 522217468 /nfs/dbraw/zinc/21/74/68/522217468.db2.gz LEIWCFYDKLCKFE-XMMPIXPASA-N 0 0 435.524 4.923 50 0 IJAARN CN(C)c1cccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000012608604 522256129 /nfs/dbraw/zinc/25/61/29/522256129.db2.gz ZXXYNNXUMXIGSZ-KRWDZBQOSA-N 0 0 449.363 4.715 50 0 IJAARN COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128652 522278659 /nfs/dbraw/zinc/27/86/59/522278659.db2.gz IOCYWPVTFPSIGK-UHFFFAOYSA-N 0 0 429.476 4.629 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000035723991 522312901 /nfs/dbraw/zinc/31/29/01/522312901.db2.gz LIYQJNGJDIBMRE-RDTXWAMCSA-N 0 0 442.972 4.950 50 0 IJAARN CCc1nc(CN2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)cc2C)cs1 ZINC000012642325 522324243 /nfs/dbraw/zinc/32/42/43/522324243.db2.gz DLADZFXLLFYHPE-NRFANRHFSA-N 0 0 434.565 4.678 50 0 IJAARN COc1cc(CN(C)C(=O)c2ccccc2NC(=O)c2cccs2)ccc1OC(F)F ZINC000012755020 522345031 /nfs/dbraw/zinc/34/50/31/522345031.db2.gz CXEOYKSAHZWZQH-UHFFFAOYSA-N 0 0 446.475 4.883 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035688015 522377881 /nfs/dbraw/zinc/37/78/81/522377881.db2.gz ZATPYYRTVRWKGC-DVECYGJZSA-N 0 0 437.584 4.713 50 0 IJAARN COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OCc1ccccc1 ZINC000012380102 522386294 /nfs/dbraw/zinc/38/62/94/522386294.db2.gz VWNOEMDVRJBRAW-UHFFFAOYSA-N 0 0 430.548 4.799 50 0 IJAARN COc1cc(CNC(=O)CSc2ncccc2Cl)ccc1OCc1ccccc1 ZINC000012790638 522413204 /nfs/dbraw/zinc/41/32/04/522413204.db2.gz DODKNRFVAPATFO-UHFFFAOYSA-N 0 0 428.941 4.731 50 0 IJAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccccc2Cl)n1 ZINC000036002866 522441840 /nfs/dbraw/zinc/44/18/40/522441840.db2.gz XCOUSNYSMHTTTP-MRXNPFEDSA-N 0 0 448.958 4.824 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl)C(=O)NC(C)(C)C ZINC000035948883 522451852 /nfs/dbraw/zinc/45/18/52/522451852.db2.gz ISQQKIFXLHCONT-QGZVFWFLSA-N 0 0 432.977 4.519 50 0 IJAARN CCc1nc2c(c(C)nn2-c2ccccc2)c(NC2CCC(NC(=O)C3CCCC3)CC2)n1 ZINC000036006141 522468475 /nfs/dbraw/zinc/46/84/75/522468475.db2.gz LGJBGXHXNSAJAX-UHFFFAOYSA-N 0 0 446.599 4.716 50 0 IJAARN CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001142157 522499618 /nfs/dbraw/zinc/49/96/18/522499618.db2.gz DGMGRXYJJQAYBK-UHFFFAOYSA-N 0 0 442.151 4.559 50 0 IJAARN COc1cc(CSCc2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)cc(OC)c1 ZINC000012287309 522501371 /nfs/dbraw/zinc/50/13/71/522501371.db2.gz SLGYMPJWPYCSND-HNNXBMFYSA-N 0 0 444.578 5.000 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1OC(F)F ZINC000012775037 522504347 /nfs/dbraw/zinc/50/43/47/522504347.db2.gz MADLXGISLLQAGS-UHFFFAOYSA-N 0 0 436.764 4.671 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031714 522507828 /nfs/dbraw/zinc/50/78/28/522507828.db2.gz GLGSTMAGRUNHDT-UHFFFAOYSA-N 0 0 441.890 4.783 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531248 522515909 /nfs/dbraw/zinc/51/59/09/522515909.db2.gz UQPPHBQZYLTCNB-QFIPXVFZSA-N 0 0 434.923 4.863 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C(=O)COC)C(C)C ZINC000035972554 522637268 /nfs/dbraw/zinc/63/72/68/522637268.db2.gz HLVKBHJEMGNZPK-UHFFFAOYSA-N 0 0 425.504 4.750 50 0 IJAARN CCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCNC(=O)CC(C)C)cc12 ZINC000035989112 522639372 /nfs/dbraw/zinc/63/93/72/522639372.db2.gz HAQDFPJJRAFOFU-UHFFFAOYSA-N 0 0 447.004 4.585 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CCOC)C(=O)C1CC1 ZINC000035975801 522642076 /nfs/dbraw/zinc/64/20/76/522642076.db2.gz NXPKYATUSUACRL-UHFFFAOYSA-N 0 0 437.515 4.751 50 0 IJAARN COc1cc(NC(=O)COc2ccc(F)cc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000016677379 522664722 /nfs/dbraw/zinc/66/47/22/522664722.db2.gz DNEHGOAUJGZHPK-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1Cl ZINC000012418861 522683373 /nfs/dbraw/zinc/68/33/73/522683373.db2.gz NOYUUWBZZJNSBH-SFHVURJKSA-N 0 0 427.353 4.550 50 0 IJAARN COc1cc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl ZINC000012928780 522708377 /nfs/dbraw/zinc/70/83/77/522708377.db2.gz LKRLUHIWIPRQLP-WGERFFLFSA-N 0 0 446.975 4.503 50 0 IJAARN CN(CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1ccccc1 ZINC000012539709 522758364 /nfs/dbraw/zinc/75/83/64/522758364.db2.gz LGSZEUPDLGSGJV-UHFFFAOYSA-N 0 0 438.597 4.769 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)nn12 ZINC000012855847 522805764 /nfs/dbraw/zinc/80/57/64/522805764.db2.gz FJPZWCJCVRREKX-UHFFFAOYSA-N 0 0 442.342 4.738 50 0 IJAARN COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000012507356 522882758 /nfs/dbraw/zinc/88/27/58/522882758.db2.gz NKDQXFPHBAJXOZ-SFHVURJKSA-N 0 0 435.311 4.655 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)ccc1O ZINC000021525006 522931952 /nfs/dbraw/zinc/93/19/52/522931952.db2.gz SAZJFYYBCLVYPL-FQEVSTJZSA-N 0 0 429.929 4.631 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cccc(N(C)C)c1)oc1ccccc12 ZINC000009664206 523016177 /nfs/dbraw/zinc/01/61/77/523016177.db2.gz XAGYBJSJKNJSGM-OAHLLOKOSA-N 0 0 432.476 4.845 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C)N(Cc1cc3c(cc1Br)OCCCO3)CC2 ZINC000020567695 523037261 /nfs/dbraw/zinc/03/72/61/523037261.db2.gz KVNMEHXAECFYQB-CQSZACIVSA-N 0 0 448.357 4.747 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036043127 523048051 /nfs/dbraw/zinc/04/80/51/523048051.db2.gz CNCJYVAOFAFYFB-HRFSGMKKSA-N 0 0 444.575 4.930 50 0 IJAARN CCc1sc(-c2nnc(CN3CCN(Cc4c(F)cccc4Cl)CC3)o2)cc1C ZINC000022785005 523063389 /nfs/dbraw/zinc/06/33/89/523063389.db2.gz PCOLQXGZXBTOAF-UHFFFAOYSA-N 0 0 434.968 4.779 50 0 IJAARN COc1cc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2cc1OC ZINC000021541048 523069831 /nfs/dbraw/zinc/06/98/31/523069831.db2.gz PQBIZNHMWZJDEG-UHFFFAOYSA-N 0 0 438.487 4.907 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)NC(C)(C)C)no2)cc1 ZINC000020900532 523101152 /nfs/dbraw/zinc/10/11/52/523101152.db2.gz ITANNKPDYOZEKV-UHFFFAOYSA-N 0 0 433.464 4.877 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)cc1 ZINC000014360788 523102743 /nfs/dbraw/zinc/10/27/43/523102743.db2.gz FKVBGDZDRAKKPP-HDICACEKSA-N 0 0 432.520 4.572 50 0 IJAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022627950 523103123 /nfs/dbraw/zinc/10/31/23/523103123.db2.gz YTVZJRYMFBBNSO-UHFFFAOYSA-N 0 0 446.454 4.647 50 0 IJAARN CCn1c(C)c(C(=O)CN(CCC(C)C)C(=O)c2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000036018782 523122353 /nfs/dbraw/zinc/12/23/53/523122353.db2.gz OOKSLNDOMMQGDM-UHFFFAOYSA-N 0 0 446.975 4.936 50 0 IJAARN COc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)cc1 ZINC000012810355 523184747 /nfs/dbraw/zinc/18/47/47/523184747.db2.gz MOUYWRFYVJQLNZ-XMMPIXPASA-N 0 0 426.476 4.865 50 0 IJAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CSc1nnc(C2CC2)o1 ZINC000012812579 523192613 /nfs/dbraw/zinc/19/26/13/523192613.db2.gz HLKJJESRGLTHAF-UHFFFAOYSA-N 0 0 448.342 4.720 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)Cc3c[nH]c4ccccc34)s2)cc1OC ZINC000012390380 523194218 /nfs/dbraw/zinc/19/42/18/523194218.db2.gz GBTSCMPWRYQOQS-CQSZACIVSA-N 0 0 435.549 4.978 50 0 IJAARN CCn1c(COc2c(C)cccc2C)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000035655208 523195367 /nfs/dbraw/zinc/19/53/67/523195367.db2.gz URQWDJKTEBMXPT-MRXNPFEDSA-N 0 0 435.553 4.584 50 0 IJAARN COc1ccc(-c2nnc(SCc3nnc(-c4cc5c(s4)CCCC5)o3)n2C)cc1 ZINC000012739713 523264729 /nfs/dbraw/zinc/26/47/29/523264729.db2.gz ZORATTAJSJEKHD-UHFFFAOYSA-N 0 0 439.566 4.773 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(C(C)(C)C)n3N)ccc21 ZINC000021740731 523277999 /nfs/dbraw/zinc/27/79/99/523277999.db2.gz VMCIYLPYUKLWRZ-CQSZACIVSA-N 0 0 436.585 4.537 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc4ccccc4c3)C(C)C)n2)cc1OC ZINC000012843389 523284300 /nfs/dbraw/zinc/28/43/00/523284300.db2.gz KMEXMOSMOIOQFM-UHFFFAOYSA-N 0 0 431.492 4.958 50 0 IJAARN CCn1c2ccccc2nc1SCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000012628449 523286384 /nfs/dbraw/zinc/28/63/84/523286384.db2.gz CEMKTBYACNIEAE-UHFFFAOYSA-N 0 0 433.581 4.609 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000020530643 523297456 /nfs/dbraw/zinc/29/74/56/523297456.db2.gz CNSUWEMBZXKGDP-OAHLLOKOSA-N 0 0 446.429 4.619 50 0 IJAARN COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)n2)cc1 ZINC000015821363 523297603 /nfs/dbraw/zinc/29/76/03/523297603.db2.gz HGDCCXRXWDVNHA-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN COc1ccc(-c2noc(N3CCC(C(=O)N(C)c4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000020488482 523299439 /nfs/dbraw/zinc/29/94/39/523299439.db2.gz UIZGCXOAYQSLIG-UHFFFAOYSA-N 0 0 440.931 4.586 50 0 IJAARN CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c2ccccc21 ZINC000017167114 523309787 /nfs/dbraw/zinc/30/97/87/523309787.db2.gz JMXNFNTXHQMUCB-NDENLUEZSA-N 0 0 433.533 4.953 50 0 IJAARN CCn1cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012201619 523329519 /nfs/dbraw/zinc/32/95/19/523329519.db2.gz OQCYXKBCSNDGGV-HXUWFJFHSA-N 0 0 441.535 4.542 50 0 IJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2C(F)(F)F)cc1 ZINC000020892530 523346079 /nfs/dbraw/zinc/34/60/79/523346079.db2.gz NTOBGXLRGNUEEZ-LJQANCHMSA-N 0 0 433.455 4.983 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCC[C@H](c3nc(C)ncc3Cc3ccccc3)C2)cc1 ZINC000012164232 523385818 /nfs/dbraw/zinc/38/58/18/523385818.db2.gz NIJHZYFOZQOZSZ-UXZSZYKQSA-N 0 0 427.548 4.804 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1cc2cccc3c2n1C[C@@H](C)S3 ZINC000020559840 523500245 /nfs/dbraw/zinc/50/02/45/523500245.db2.gz IGJYUFZRMGCCMW-GFCCVEGCSA-N 0 0 431.355 4.837 50 0 IJAARN CCn1cnnc1-c1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000032931922 523580980 /nfs/dbraw/zinc/58/09/80/523580980.db2.gz RJGBXOFJQULZDP-UHFFFAOYSA-N 0 0 437.500 4.700 50 0 IJAARN COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000012539153 523588855 /nfs/dbraw/zinc/58/88/55/523588855.db2.gz ZASHIGPJILYJSE-UHFFFAOYSA-N 0 0 438.863 4.628 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909213 523607522 /nfs/dbraw/zinc/60/75/22/523607522.db2.gz VJYZECWVYKTLNW-QHCPKHFHSA-N 0 0 448.494 4.786 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)c2ccccc12 ZINC000012872393 523620635 /nfs/dbraw/zinc/62/06/35/523620635.db2.gz QUCVOWIHPUDIOF-UHFFFAOYSA-N 0 0 430.504 4.542 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N(C)Cc4ccco4)c3)C2)cc1 ZINC000033034770 523641029 /nfs/dbraw/zinc/64/10/29/523641029.db2.gz GPBPYNGIVWOUAO-QFIPXVFZSA-N 0 0 432.520 4.580 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000012855174 523649758 /nfs/dbraw/zinc/64/97/58/523649758.db2.gz NJMHOOCTIYEKBV-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)cc1OC ZINC000020724505 523751063 /nfs/dbraw/zinc/75/10/63/523751063.db2.gz WEJJHWHHPSTKMZ-UHFFFAOYSA-N 0 0 442.519 4.716 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1OC ZINC000021794319 523752657 /nfs/dbraw/zinc/75/26/57/523752657.db2.gz VRBAXMNNBUPTNS-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036031705 523774490 /nfs/dbraw/zinc/77/44/90/523774490.db2.gz XCQSFMUYQWRMTP-UHFFFAOYSA-N 0 0 446.956 4.673 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(F)cc1Br ZINC000012881712 523786939 /nfs/dbraw/zinc/78/69/39/523786939.db2.gz CHPWRDVUDNIQNG-UHFFFAOYSA-N 0 0 438.293 4.690 50 0 IJAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000023143050 523796454 /nfs/dbraw/zinc/79/64/54/523796454.db2.gz WWDGCAHUIATCLO-CQSZACIVSA-N 0 0 446.429 4.619 50 0 IJAARN CC[C@H](C(=O)Nc1c(F)c(F)cc(F)c1F)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020463831 523797123 /nfs/dbraw/zinc/79/71/23/523797123.db2.gz FJFXWSOYOBBQIX-QGZVFWFLSA-N 0 0 433.405 4.673 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(Sc2c(C)c(C)nc3ncnn32)cc1 ZINC000033275954 523834393 /nfs/dbraw/zinc/83/43/93/523834393.db2.gz OAIKWQRMBZLOAK-UHFFFAOYSA-N 0 0 434.525 4.853 50 0 IJAARN CN(C(=O)CSc1ccccc1C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000022328830 523840006 /nfs/dbraw/zinc/84/00/06/523840006.db2.gz COLHHPJMEGNWPZ-UHFFFAOYSA-N 0 0 428.623 4.830 50 0 IJAARN CCc1ccc(-c2nn(CN3CCC(C(=O)c4ccc(OC)cc4)CC3)c(=S)[nH]2)cc1 ZINC000012815202 523862512 /nfs/dbraw/zinc/86/25/12/523862512.db2.gz YHHBARALMLNOQM-UHFFFAOYSA-N 0 0 436.581 4.731 50 0 IJAARN CCc1ccc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)cc1 ZINC000033296842 523863622 /nfs/dbraw/zinc/86/36/22/523863622.db2.gz UBXCPLGEFNSDHJ-UHFFFAOYSA-N 0 0 426.480 4.878 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cccc4c2CCCC4)c3=O)cc1 ZINC000033277771 523866479 /nfs/dbraw/zinc/86/64/79/523866479.db2.gz OPWODLWJAUDSHE-UHFFFAOYSA-N 0 0 442.519 4.522 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)NC(C)C)C2)cc1 ZINC000035944474 523880077 /nfs/dbraw/zinc/88/00/77/523880077.db2.gz WEQTYDSLSWAXMR-HXUWFJFHSA-N 0 0 449.473 4.827 50 0 IJAARN COc1ccc(CC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023325431 523894843 /nfs/dbraw/zinc/89/48/43/523894843.db2.gz HDUYVVQPODPZJB-AREMUKBSSA-N 0 0 434.967 4.825 50 0 IJAARN COc1ccc(CCN(C)c2ncnc3c4cc(Br)ccc4[nH]c32)cc1OC ZINC000012661590 523940793 /nfs/dbraw/zinc/94/07/93/523940793.db2.gz YNIQTSOEIBDJLB-UHFFFAOYSA-N 0 0 441.329 4.570 50 0 biogenic IJAARN CCc1ccc(N(C(=O)Cn2cnc3ccccc3c2=O)c2nc3ccccc3s2)cc1 ZINC000014373478 523956340 /nfs/dbraw/zinc/95/63/40/523956340.db2.gz CQJRFMDRXSTNQA-UHFFFAOYSA-N 0 0 440.528 4.934 50 0 IJAARN COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC ZINC000011923518 523971595 /nfs/dbraw/zinc/97/15/95/523971595.db2.gz FPVXGAKDQZDKLD-UHFFFAOYSA-N 0 0 433.533 4.591 50 0 IJAARN CCc1ccc(NC(=O)COc2ccc(-c3noc(-c4ccccc4)n3)cc2OC)cc1 ZINC000033013093 523973354 /nfs/dbraw/zinc/97/33/54/523973354.db2.gz KXTQYOVGZZBBFE-UHFFFAOYSA-N 0 0 429.476 4.992 50 0 IJAARN CCc1ccc(NC(=O)Cn2c3cc(OC)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000020940063 523976426 /nfs/dbraw/zinc/97/64/26/523976426.db2.gz FQCALFAXNRYSCU-UHFFFAOYSA-N 0 0 441.531 4.823 50 0 IJAARN CCc1ccc(NC(=O)N(Cc2ccco2)Cc2ccc(OS(=O)(=O)CC)cc2)cc1 ZINC000035769914 523977886 /nfs/dbraw/zinc/97/78/86/523977886.db2.gz KGLWBCWNUFUQJB-UHFFFAOYSA-N 0 0 442.537 4.805 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1 ZINC000021795589 523987014 /nfs/dbraw/zinc/98/70/14/523987014.db2.gz LQWKMJHZFWCYCQ-UHFFFAOYSA-N 0 0 432.528 4.572 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)cc1 ZINC000020575287 523989944 /nfs/dbraw/zinc/98/99/44/523989944.db2.gz XRJCSLSFYKMAQI-SFHVURJKSA-N 0 0 445.498 4.841 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)C2CC2)cc1 ZINC000012569164 523990466 /nfs/dbraw/zinc/99/04/66/523990466.db2.gz XFNGXUOQULDIQD-VWLOTQADSA-N 0 0 427.500 4.954 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2Br)cc1 ZINC000021106907 524022056 /nfs/dbraw/zinc/02/20/56/524022056.db2.gz BARJUOXVJOQXKK-OAQYLSRUSA-N 0 0 438.325 4.928 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1C ZINC000036004087 524022759 /nfs/dbraw/zinc/02/27/59/524022759.db2.gz LVPFVHOXRRJIIT-OAHLLOKOSA-N 0 0 442.512 4.533 50 0 IJAARN COc1ccc(CN2CCCN(c3cc(NC(=O)C4CCCC4)ccc3OC)C2=O)cc1 ZINC000034739835 524027007 /nfs/dbraw/zinc/02/70/07/524027007.db2.gz KBKFGUYEAMWAFF-UHFFFAOYSA-N 0 0 437.540 4.665 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN31)C(=O)N2 ZINC000012130222 524059433 /nfs/dbraw/zinc/05/94/33/524059433.db2.gz XUOGEOZHIBMGRM-DVECYGJZSA-N 0 0 431.517 4.668 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN31)C(=O)N2 ZINC000012130223 524059497 /nfs/dbraw/zinc/05/94/97/524059497.db2.gz XUOGEOZHIBMGRM-NTKDMRAZSA-N 0 0 431.517 4.668 50 0 IJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(Br)cc2)c1 ZINC000035170897 524061691 /nfs/dbraw/zinc/06/16/91/524061691.db2.gz VHAQSFWFXQBCPF-SFHVURJKSA-N 0 0 438.325 4.814 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000035887433 524110192 /nfs/dbraw/zinc/11/01/92/524110192.db2.gz NEGMRCCRJHISEZ-UHFFFAOYSA-N 0 0 448.998 4.917 50 0 IJAARN Cc1cccc(-c2nc3c(c(SCC(=O)NCCc4ccccc4)n2)COC(C)(C)C3)c1 ZINC000009450335 524120185 /nfs/dbraw/zinc/12/01/85/524120185.db2.gz UTKUPKOEQJGLNO-UHFFFAOYSA-N 0 0 447.604 4.754 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccco2)c1OC ZINC000012112273 524132755 /nfs/dbraw/zinc/13/27/55/524132755.db2.gz NKVFLFUIZFGDPX-RUZDIDTESA-N 0 0 430.504 4.885 50 0 IJAARN COc1ccc(Cc2nc(P(=O)(OC)OC)c(NCc3ccccc3Cl)o2)cc1 ZINC000016752187 524163478 /nfs/dbraw/zinc/16/34/78/524163478.db2.gz QCXPGGONXLUAGU-UHFFFAOYSA-N 0 0 436.832 4.651 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000021809083 524171141 /nfs/dbraw/zinc/17/11/41/524171141.db2.gz PHUQMMYKGVGSGM-RAWGQGSESA-N 0 0 435.593 4.812 50 0 IJAARN COc1ccc(Cc2noc(CN(CCc3ccccc3)Cc3ccccc3)n2)cc1OC ZINC000020540900 524171367 /nfs/dbraw/zinc/17/13/67/524171367.db2.gz XELHCXQKPQRGBB-UHFFFAOYSA-N 0 0 443.547 4.923 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccnn1Cc1cc(Br)cs1 ZINC000012808942 524200012 /nfs/dbraw/zinc/20/00/12/524200012.db2.gz RSOYBGBTSQOQHX-UHFFFAOYSA-N 0 0 426.723 4.670 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c32)CC1 ZINC000032960155 524221312 /nfs/dbraw/zinc/22/13/12/524221312.db2.gz BWZBLIGMYIZLSB-UHFFFAOYSA-N 0 0 428.920 4.665 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000012433842 524222820 /nfs/dbraw/zinc/22/28/20/524222820.db2.gz XGMVDWPIMWACKL-INIZCTEOSA-N 0 0 426.948 4.856 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC000011838960 524223025 /nfs/dbraw/zinc/22/30/25/524223025.db2.gz YGSITOJAGIVDEO-QGZVFWFLSA-N 0 0 447.963 4.544 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2 ZINC000012621039 524224359 /nfs/dbraw/zinc/22/43/59/524224359.db2.gz DRENJMZPIAYYEB-AWEZNQCLSA-N 0 0 438.911 4.817 50 0 IJAARN Cc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Br)cc2)c1 ZINC000014611258 524227932 /nfs/dbraw/zinc/22/79/32/524227932.db2.gz JJJXRSAZGHTBJC-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000035949490 524230053 /nfs/dbraw/zinc/23/00/53/524230053.db2.gz NDLFLYZNDZEMLV-QFIPXVFZSA-N 0 0 438.547 4.560 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000021121562 524244852 /nfs/dbraw/zinc/24/48/52/524244852.db2.gz BYQPJCOOTSATNZ-CABCVRRESA-N 0 0 433.426 4.717 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(C(=O)N[C@H](C)CCc2ccccc2)n1 ZINC000020945598 524247752 /nfs/dbraw/zinc/24/77/52/524247752.db2.gz IIPOGMZGFVNKJG-NHCUHLMSSA-N 0 0 429.564 4.584 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2S[C@H](C)c2nc(C(C)C)no2)cc1 ZINC000012912097 524256809 /nfs/dbraw/zinc/25/68/09/524256809.db2.gz DSZSQQWWENBWFD-OAHLLOKOSA-N 0 0 436.537 4.813 50 0 IJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(F)cc4)c3c2=O)cc1 ZINC000035400629 524264175 /nfs/dbraw/zinc/26/41/75/524264175.db2.gz GQMMOWDOBZCNNI-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000012799075 524279928 /nfs/dbraw/zinc/27/99/28/524279928.db2.gz YXRKCJWPFJPJHH-HUUCEWRRSA-N 0 0 429.567 4.500 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c(C)c1 ZINC000012781722 524281699 /nfs/dbraw/zinc/28/16/99/524281699.db2.gz VZSYNFMCCQVODH-UHFFFAOYSA-N 0 0 441.478 4.575 50 0 IJAARN C[C@H](CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000020903074 524311603 /nfs/dbraw/zinc/31/16/03/524311603.db2.gz IROKRSBZCCSTKH-XHCCPWGMSA-N 0 0 429.564 4.718 50 0 IJAARN C[C@H](CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021860515 524312406 /nfs/dbraw/zinc/31/24/06/524312406.db2.gz SUGRTHDZCJJXAE-WINIVTDRSA-N 0 0 444.579 4.503 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000021880337 524348651 /nfs/dbraw/zinc/34/86/51/524348651.db2.gz AYAXDXSEEVSSGV-UHFFFAOYSA-N 0 0 432.549 4.773 50 0 IJAARN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2c1 ZINC000012421890 524351869 /nfs/dbraw/zinc/35/18/69/524351869.db2.gz JYKZDASTUFDEJW-UHFFFAOYSA-N 0 0 437.565 4.587 50 0 IJAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccncc3)cc2)c1 ZINC000034680058 524368184 /nfs/dbraw/zinc/36/81/84/524368184.db2.gz XKIDHNZPTQCUJG-UHFFFAOYSA-N 0 0 439.515 4.689 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)[C@H]2/C(C)=C/c2ccccc2)cc1 ZINC000012889532 524389624 /nfs/dbraw/zinc/38/96/24/524389624.db2.gz KEYURPTXUUETJX-WFBCFIKKSA-N 0 0 442.515 4.556 50 0 biogenic IJAARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)COCc3ccccc3)c2)cc1 ZINC000035912343 524390306 /nfs/dbraw/zinc/39/03/06/524390306.db2.gz MOPORLHNMPBPFW-RUZDIDTESA-N 0 0 448.544 4.629 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000021811460 524403135 /nfs/dbraw/zinc/40/31/35/524403135.db2.gz WDYKKHJZMBBXJG-CKWPORTCSA-N 0 0 433.552 4.590 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)Cc2ccccc2)C(C)C)o1 ZINC000035809299 524414345 /nfs/dbraw/zinc/41/43/45/524414345.db2.gz DJPXNZIKSMBXJV-UHFFFAOYSA-N 0 0 432.564 4.639 50 0 IJAARN COc1ccccc1CCNC(=O)c1sc2ncnc(NCc3cccs3)c2c1C ZINC000012135294 524420279 /nfs/dbraw/zinc/42/02/79/524420279.db2.gz SUTFNQPFMSFPJV-UHFFFAOYSA-N 0 0 438.578 4.654 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000017986648 524427257 /nfs/dbraw/zinc/42/72/57/524427257.db2.gz AHBMUDLOQLFHKT-MJXNMMHHSA-N 0 0 442.309 4.594 50 0 IJAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000035887797 524472925 /nfs/dbraw/zinc/47/29/25/524472925.db2.gz DZVQABQJVBWMDI-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN Cc1cccc(Cn2c(SCc3ccc(C(=O)NC4CC4)cc3)nc3cccnc32)c1 ZINC000020532343 524492255 /nfs/dbraw/zinc/49/22/55/524492255.db2.gz FXFLXMCXGAIPJT-UHFFFAOYSA-N 0 0 428.561 4.973 50 0 IJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000035530374 524494326 /nfs/dbraw/zinc/49/43/26/524494326.db2.gz GAPIIJLPZLXZMA-UHFFFAOYSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OCc1ccncc1 ZINC000040087961 524525672 /nfs/dbraw/zinc/52/56/72/524525672.db2.gz JEHLAJFRYLJFIH-UHFFFAOYSA-N 0 0 427.298 4.613 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 ZINC000020353693 524535320 /nfs/dbraw/zinc/53/53/20/524535320.db2.gz TZFJEAXRDSODGZ-FQEVSTJZSA-N 0 0 437.496 4.562 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccnc3-c3ccc(C)cc3)C2)cc1 ZINC000035527493 524541838 /nfs/dbraw/zinc/54/18/38/524541838.db2.gz PMBIJLNLKDOQJQ-HSZRJFAPSA-N 0 0 427.548 4.534 50 0 IJAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000012344083 524557570 /nfs/dbraw/zinc/55/75/70/524557570.db2.gz SEWQTJZBKGCAOC-HXUWFJFHSA-N 0 0 426.314 4.896 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1OC ZINC000035511925 524570010 /nfs/dbraw/zinc/57/00/10/524570010.db2.gz VYYLJQWIQOALRB-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000012615496 524585092 /nfs/dbraw/zinc/58/50/92/524585092.db2.gz IUGLJXUEKVASLA-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN Cc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C ZINC000012924775 524587830 /nfs/dbraw/zinc/58/78/30/524587830.db2.gz CLDGGDYOZNMGHK-UHFFFAOYSA-N 0 0 425.916 4.642 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3noc(-c4ccc(C)cc4)n3)C2)cc1Cl ZINC000021724889 524594154 /nfs/dbraw/zinc/59/41/54/524594154.db2.gz IDWLRNGWSYTKIF-QGZVFWFLSA-N 0 0 440.931 4.558 50 0 IJAARN COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000035948986 524606855 /nfs/dbraw/zinc/60/68/55/524606855.db2.gz LJXLDTRDSKKCQQ-FQEVSTJZSA-N 0 0 448.548 4.598 50 0 IJAARN COc1ccccc1NC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000033085263 524609893 /nfs/dbraw/zinc/60/98/93/524609893.db2.gz BSSOHAZSKLXBSJ-UHFFFAOYSA-N 0 0 440.931 4.662 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000239358375 524623099 /nfs/dbraw/zinc/62/30/99/524623099.db2.gz NEDSRNYMOAIJTG-COXVUDFISA-N 0 0 430.426 4.883 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc23)cc1 ZINC000020532931 524639482 /nfs/dbraw/zinc/63/94/82/524639482.db2.gz JWEFRYXRIRTKHG-UHFFFAOYSA-N 0 0 432.545 4.871 50 0 IJAARN Cc1cccc(NC(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1 ZINC000035707668 524642637 /nfs/dbraw/zinc/64/26/37/524642637.db2.gz UDECEZDTJUMNNJ-NRFANRHFSA-N 0 0 436.512 4.561 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@H]3C)c2)c1 ZINC000012561140 524691488 /nfs/dbraw/zinc/69/14/88/524691488.db2.gz KABODHAYFHHEEQ-MRXNPFEDSA-N 0 0 426.563 4.617 50 0 IJAARN COc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c(OC)c1 ZINC000016363491 524722888 /nfs/dbraw/zinc/72/28/88/524722888.db2.gz VAYMGHQLIAEEGF-UHFFFAOYSA-N 0 0 439.475 4.578 50 0 IJAARN Cc1ccc(F)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000012797916 524825072 /nfs/dbraw/zinc/82/50/72/524825072.db2.gz AEVPECUEGGOPMY-UHFFFAOYSA-N 0 0 432.904 4.865 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCc2cc(OC)ccc21 ZINC000023493818 524885541 /nfs/dbraw/zinc/88/55/41/524885541.db2.gz LWXXXVLBEUAQBM-UHFFFAOYSA-N 0 0 431.414 4.501 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724425 524890694 /nfs/dbraw/zinc/89/06/94/524890694.db2.gz TURFFBVJNKGDJM-UHFFFAOYSA-N 0 0 428.895 4.688 50 0 IJAARN Cc1cccc([C@H]2c3cc(OCC(=O)NC(C)C)ccc3CCN2C(=O)c2ccccc2)c1 ZINC000034708157 524900987 /nfs/dbraw/zinc/90/09/87/524900987.db2.gz QAGATOPWGYKQBJ-MHZLTWQESA-N 0 0 442.559 4.686 50 0 IJAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)cc1 ZINC000020559198 524928079 /nfs/dbraw/zinc/92/80/79/524928079.db2.gz NQKFCOYUTLUXBJ-FQEVSTJZSA-N 0 0 427.932 4.861 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000015676329 524930985 /nfs/dbraw/zinc/93/09/85/524930985.db2.gz CJBREAZGHVQJNK-AREMUKBSSA-N 0 0 436.600 4.747 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000021863772 524931960 /nfs/dbraw/zinc/93/19/60/524931960.db2.gz MMMQAKUUBPZREY-AREMUKBSSA-N 0 0 431.536 4.843 50 0 IJAARN COc1ccc(Oc2cccc(Cl)c2CNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001024368 524995189 /nfs/dbraw/zinc/99/51/89/524995189.db2.gz XWMQDEMIOBFXDJ-UHFFFAOYSA-N 0 0 433.913 4.628 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)nn1 ZINC000035397986 525006565 /nfs/dbraw/zinc/00/65/65/525006565.db2.gz UGKKSURFTZZABZ-GMAHTHKFSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848842 525048096 /nfs/dbraw/zinc/04/80/96/525048096.db2.gz XZQIEPKKDRBVAX-UHFFFAOYSA-N 0 0 432.593 4.718 50 0 IJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc2O1 ZINC000041158144 525052345 /nfs/dbraw/zinc/05/23/45/525052345.db2.gz MPJLWMCLEWXYRQ-OAHLLOKOSA-N 0 0 442.924 4.569 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)c(C)c1 ZINC000020212134 525061107 /nfs/dbraw/zinc/06/11/07/525061107.db2.gz LBPJVMVZWGQUNP-UHFFFAOYSA-N 0 0 431.923 4.780 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)cc1C ZINC000021643854 525071802 /nfs/dbraw/zinc/07/18/02/525071802.db2.gz GUXQRALWYLIBSU-FQEVSTJZSA-N 0 0 434.565 4.680 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c(C)c1 ZINC000035533221 525083743 /nfs/dbraw/zinc/08/37/43/525083743.db2.gz IPSIESXGEGOAMP-UHFFFAOYSA-N 0 0 427.599 4.670 50 0 IJAARN C[C@@H](NC(=O)CCSCc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000012930728 525089305 /nfs/dbraw/zinc/08/93/05/525089305.db2.gz PGJIXYDOWPUJBB-CQSZACIVSA-N 0 0 436.371 4.721 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 ZINC000012750964 525096936 /nfs/dbraw/zinc/09/69/36/525096936.db2.gz KQAUQIOEEIWYNN-UHFFFAOYSA-N 0 0 425.583 4.729 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2ccccc2c1 ZINC000012568837 525126299 /nfs/dbraw/zinc/12/62/99/525126299.db2.gz QPFVOWCDGCLUIE-MRXNPFEDSA-N 0 0 429.549 4.798 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561267 525172151 /nfs/dbraw/zinc/17/21/51/525172151.db2.gz QMEUJMCUKHWDPK-JOCHJYFZSA-N 0 0 448.494 4.877 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1Cl ZINC000021809442 525199287 /nfs/dbraw/zinc/19/92/87/525199287.db2.gz FERDSEZJQFHLKA-HSZRJFAPSA-N 0 0 441.984 4.830 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1 ZINC000015675437 525202397 /nfs/dbraw/zinc/20/23/97/525202397.db2.gz IMBPHGMAXSZDTJ-AREMUKBSSA-N 0 0 433.552 4.878 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1C ZINC000033128187 525216204 /nfs/dbraw/zinc/21/62/04/525216204.db2.gz NWMDHWBKLKFMEN-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN Cc1cc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)ccc1Br ZINC000021018890 525222176 /nfs/dbraw/zinc/22/21/76/525222176.db2.gz YMRLZBGBMXIWIN-NRFANRHFSA-N 0 0 435.321 4.968 50 0 IJAARN Cc1cc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)ccc1Br ZINC000021018895 525235908 /nfs/dbraw/zinc/23/59/08/525235908.db2.gz YMRLZBGBMXIWIN-OAQYLSRUSA-N 0 0 435.321 4.968 50 0 IJAARN Cc1cc(NC(=O)c2ccc(CN3CCN(Cc4ccccn4)CC3)cc2)ccc1Cl ZINC000022792631 525246064 /nfs/dbraw/zinc/24/60/64/525246064.db2.gz VUEVXFVJSTUPNR-UHFFFAOYSA-N 0 0 434.971 4.614 50 0 IJAARN Cc1cc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nn1Cc1ccccc1C ZINC000020616320 525248645 /nfs/dbraw/zinc/24/86/45/525248645.db2.gz KNEMSSRJXPVLEE-UHFFFAOYSA-N 0 0 430.508 4.984 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1 ZINC000033273162 525249808 /nfs/dbraw/zinc/24/98/08/525249808.db2.gz BVLRPQLMRZHNPF-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041532 525257528 /nfs/dbraw/zinc/25/75/28/525257528.db2.gz WPYADPUEKHRDFP-XZOQPEGZSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(C)cc4)CC3)s2)cc1 ZINC000033114048 525261567 /nfs/dbraw/zinc/26/15/67/525261567.db2.gz FFCWVQBGNJSYLN-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CS[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000012538125 525274482 /nfs/dbraw/zinc/27/44/82/525274482.db2.gz QNVDJCBBIOGQML-MRXNPFEDSA-N 0 0 436.585 4.890 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000015495525 525274526 /nfs/dbraw/zinc/27/45/26/525274526.db2.gz DNQPQHKFVUPTPG-AWEZNQCLSA-N 0 0 442.976 4.728 50 0 IJAARN C[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000022020387 525274692 /nfs/dbraw/zinc/27/46/92/525274692.db2.gz ISFZYOYTRPMTCC-AWEZNQCLSA-N 0 0 448.338 4.507 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2cccc(C(C)=O)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560675 525344765 /nfs/dbraw/zinc/34/47/65/525344765.db2.gz HZNGXOVJNCZSGB-DEOSSOPVSA-N 0 0 428.488 4.624 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc43)cs2)NC(C)=O)cc1 ZINC000012483573 525346897 /nfs/dbraw/zinc/34/68/97/525346897.db2.gz FRKPYSXWKRKOND-FQEVSTJZSA-N 0 0 448.548 4.814 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)c(F)c1 ZINC000009469493 534850242 /nfs/dbraw/zinc/85/02/42/534850242.db2.gz HPRSOAHVUCRHLN-UHFFFAOYSA-N 0 0 449.507 4.860 50 0 IJAARN Cc1ccc(OC(=O)COC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000033013897 525367730 /nfs/dbraw/zinc/36/77/30/525367730.db2.gz JEVUMRFTSDDPCN-UHFFFAOYSA-N 0 0 446.528 4.634 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000012567214 525405131 /nfs/dbraw/zinc/40/51/31/525405131.db2.gz JXHRYHWWFNUIIJ-CLJLJLNGSA-N 0 0 442.563 4.549 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000012763973 525410240 /nfs/dbraw/zinc/41/02/40/525410240.db2.gz DNPFKCHCJMQFLD-XMMPIXPASA-N 0 0 430.504 4.581 50 0 IJAARN Cc1ccccc1[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000021913980 525412019 /nfs/dbraw/zinc/41/20/19/525412019.db2.gz OOGMABWOILSSQL-JTSKRJEESA-N 0 0 431.561 4.756 50 0 IJAARN Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)[nH]c1Cc1ccccc1 ZINC000012549844 525413468 /nfs/dbraw/zinc/41/34/68/525413468.db2.gz SFLQECDSGYWGSH-UHFFFAOYSA-N 0 0 446.576 4.948 50 0 IJAARN Cc1nc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)[nH]c1Cc1ccccc1 ZINC000012559443 525413782 /nfs/dbraw/zinc/41/37/82/525413782.db2.gz WGLFQENUWJCMBR-OAQYLSRUSA-N 0 0 437.540 4.762 50 0 IJAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Cl)cc2)c2cccs2)ccc1F ZINC000020604191 525426441 /nfs/dbraw/zinc/42/64/41/525426441.db2.gz YLKAAUMSWPGBJO-IBGZPJMESA-N 0 0 437.945 4.794 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012516939 525435939 /nfs/dbraw/zinc/43/59/39/525435939.db2.gz ZIPNPWIIEWELGJ-BWKNWUBXSA-N 0 0 445.519 4.530 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2ccccc2N(CCOc2ccc(Cl)cc2)C1=O ZINC000020808266 525447520 /nfs/dbraw/zinc/44/75/20/525447520.db2.gz UQHQXQSAQUKYEY-VWLOTQADSA-N 0 0 432.907 4.791 50 0 IJAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)nc12 ZINC000021099841 525461015 /nfs/dbraw/zinc/46/10/15/525461015.db2.gz RJQUHGPUZFEKHS-UHFFFAOYSA-N 0 0 443.547 4.737 50 0 IJAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(N5CCCCC5)nc4)cc3)nc12 ZINC000012544515 525473749 /nfs/dbraw/zinc/47/37/49/525473749.db2.gz JTLSHVHMPWFENL-UHFFFAOYSA-N 0 0 441.535 4.859 50 0 IJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000017043574 525486341 /nfs/dbraw/zinc/48/63/41/525486341.db2.gz XHDQKWZMBRLIEN-UHFFFAOYSA-N 0 0 441.361 4.838 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)OCc3cc(-c4cccs4)on3)c(=O)oc2c1 ZINC000012835940 525497069 /nfs/dbraw/zinc/49/70/69/525497069.db2.gz KOZQZLIBTLIXAQ-UHFFFAOYSA-N 0 0 425.462 4.503 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccccc3)CC1)=Nc1ccc(C)cc1O2 ZINC000034813333 525508829 /nfs/dbraw/zinc/50/88/29/525508829.db2.gz NJPQQWDVXYDMQB-UHFFFAOYSA-N 0 0 427.504 4.646 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)no1 ZINC000021718685 525544978 /nfs/dbraw/zinc/54/49/78/525544978.db2.gz FWZCWDSDNMGNJD-OAHLLOKOSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1cc([C@H]2C[C@H](C(=O)NCCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715023 525551824 /nfs/dbraw/zinc/55/18/24/525551824.db2.gz LQRQSBFUTDUBMM-DQEYMECFSA-N 0 0 444.550 4.739 50 0 IJAARN Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034714963 525552840 /nfs/dbraw/zinc/55/28/40/525552840.db2.gz KZSCJJVKLLJIJH-ZEQRLZLVSA-N 0 0 430.523 4.696 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(COc4ccc(F)cc4)n3)cc2)cc1 ZINC000021702579 525598163 /nfs/dbraw/zinc/59/81/63/525598163.db2.gz DMFIZBOXKUWRRP-UHFFFAOYSA-N 0 0 439.468 4.564 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2F)C3=O)o1 ZINC000021810799 525617746 /nfs/dbraw/zinc/61/77/46/525617746.db2.gz PPBVRQDODQKNSA-RUZDIDTESA-N 0 0 437.515 4.545 50 0 IJAARN Cc1c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)sc2nc3n(c(=O)c12)CCC3 ZINC000012877780 525628473 /nfs/dbraw/zinc/62/84/73/525628473.db2.gz CDWWNTXRMLXNJZ-UHFFFAOYSA-N 0 0 449.507 4.574 50 0 IJAARN Cc1c(C(=O)NCc2ccco2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012273981 525630388 /nfs/dbraw/zinc/63/03/88/525630388.db2.gz DNYPTQPEQQAMPZ-UHFFFAOYSA-N 0 0 433.855 4.560 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012419716 525634415 /nfs/dbraw/zinc/63/44/15/525634415.db2.gz PTDODSUWCKIICM-IYBDPMFKSA-N 0 0 446.956 4.750 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1ccc(C)c(C)c1)C3=O ZINC000021857460 525642754 /nfs/dbraw/zinc/64/27/54/525642754.db2.gz DIVBPJDOBLLQHG-MHZLTWQESA-N 0 0 445.563 4.745 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(C1CCC(C)CC1)C3=O ZINC000033332115 525644307 /nfs/dbraw/zinc/64/43/07/525644307.db2.gz JBVNKHFXPGTURP-XCUQADKLSA-N 0 0 437.584 4.502 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 ZINC000012540046 525678616 /nfs/dbraw/zinc/67/86/16/525678616.db2.gz SLZDJEUTATYFOY-CQSZACIVSA-N 0 0 438.578 4.680 50 0 IJAARN C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccccc1Cl ZINC000012852934 525679004 /nfs/dbraw/zinc/67/90/04/525679004.db2.gz TYELSABDDBGJBQ-AWEZNQCLSA-N 0 0 428.989 4.839 50 0 IJAARN Cc1c(C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)c2ccccc2n1Cc1ccccc1C ZINC000021885558 525688179 /nfs/dbraw/zinc/68/81/79/525688179.db2.gz UKRCXBMTEDBUOJ-UHFFFAOYSA-N 0 0 448.592 4.598 50 0 IJAARN Cc1cc2oc(=O)cc(CN(C)CC(=O)Nc3ccc(Br)cc3C)c2cc1C ZINC000012931310 525689989 /nfs/dbraw/zinc/68/99/89/525689989.db2.gz IZYDCZRWEPTUEO-UHFFFAOYSA-N 0 0 443.341 4.551 50 0 IJAARN C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 ZINC000012737233 525706145 /nfs/dbraw/zinc/70/61/45/525706145.db2.gz VHJBYAAKEVQULY-GFCCVEGCSA-N 0 0 436.737 4.668 50 0 IJAARN C[C@@H](Nc1ccc(N2CCOCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012790139 525708360 /nfs/dbraw/zinc/70/83/60/525708360.db2.gz UMDTYZLJAOKVRN-CQSZACIVSA-N 0 0 438.578 4.723 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCCc1ccccc1 ZINC000021863734 525790172 /nfs/dbraw/zinc/79/01/72/525790172.db2.gz HFEMOMAGGBFXMX-MHZLTWQESA-N 0 0 445.563 4.654 50 0 IJAARN COc1cccc(C(=O)N(Cc2cc(-c3ccco3)on2)Cc2ccc3c(c2)OCO3)c1 ZINC000036016347 525791623 /nfs/dbraw/zinc/79/16/23/525791623.db2.gz YXFBTJAUPIYNCU-UHFFFAOYSA-N 0 0 432.432 4.515 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000021858050 525794096 /nfs/dbraw/zinc/79/40/96/525794096.db2.gz WRLNEZYKIYPOMX-VWLOTQADSA-N 0 0 435.593 4.957 50 0 IJAARN C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000012383704 525870441 /nfs/dbraw/zinc/87/04/41/525870441.db2.gz ZCGFQXVEVHXCJB-JGFGOQIWSA-N 0 0 436.459 4.911 50 0 IJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)n2)cc1 ZINC000021525443 525870887 /nfs/dbraw/zinc/87/08/87/525870887.db2.gz VTNJZPJTJMJLGI-IBGZPJMESA-N 0 0 444.535 4.832 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3nc(CN4C[C@H](C)C[C@H](C)C4)cs3)n2)cc1 ZINC000022295732 525875297 /nfs/dbraw/zinc/87/52/97/525875297.db2.gz IPJFEHGVUZCNSJ-CALCHBBNSA-N 0 0 439.585 4.551 50 0 IJAARN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012800593 525877838 /nfs/dbraw/zinc/87/78/38/525877838.db2.gz PVRWEHFAJJZJMX-BALBBAFXSA-N 0 0 438.568 4.648 50 0 IJAARN Cc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3-c3ccc(C)cc3)n2)cc1 ZINC000012577827 525881826 /nfs/dbraw/zinc/88/18/26/525881826.db2.gz 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/nfs/dbraw/zinc/79/71/44/526797144.db2.gz ZOHAEXQNMDDCSN-IBGZPJMESA-N 0 0 433.489 4.897 50 0 IJAARN O=C(c1cccnc1Cl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020917233 526821113 /nfs/dbraw/zinc/82/11/13/526821113.db2.gz QBAGHDZRVUMACV-UHFFFAOYSA-N 0 0 427.882 4.561 50 0 IJAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccccc1Br ZINC000021540106 526828164 /nfs/dbraw/zinc/82/81/64/526828164.db2.gz DULGKAQKVPNCCB-UHFFFAOYSA-N 0 0 440.322 4.594 50 0 IJAARN O=C(NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1)c1ccccn1 ZINC000012129976 526834942 /nfs/dbraw/zinc/83/49/42/526834942.db2.gz XKHZXFCRFWXSRQ-UHFFFAOYSA-N 0 0 449.967 4.597 50 0 IJAARN O=C(CNc1ccc(I)cc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012597986 526895268 /nfs/dbraw/zinc/89/52/68/526895268.db2.gz CZNXZUSLFBSENL-LJQANCHMSA-N 0 0 448.329 4.670 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)no1 ZINC000033178325 526911730 /nfs/dbraw/zinc/91/17/30/526911730.db2.gz QWPNXOVZLURDPU-SFHVURJKSA-N 0 0 427.504 4.907 50 0 IJAARN O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012590938 526917767 /nfs/dbraw/zinc/91/77/67/526917767.db2.gz OAQPUTGCDIUCBT-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCC1CCCCC1 ZINC000012624429 526918531 /nfs/dbraw/zinc/91/85/31/526918531.db2.gz NAZNBMSFSVRRHA-UHFFFAOYSA-N 0 0 435.446 4.697 50 0 IJAARN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(c4ccccn4)CC3)o2)cc1 ZINC000021916540 526936168 /nfs/dbraw/zinc/93/61/68/526936168.db2.gz CYEBUZZNSXEQHM-JOCHJYFZSA-N 0 0 431.927 4.697 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022765997 526953047 /nfs/dbraw/zinc/95/30/47/526953047.db2.gz NZJYXQZZYDIYMA-JOCHJYFZSA-N 0 0 426.969 4.696 50 0 IJAARN O=C(COc1ccccc1Cl)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012750794 526988501 /nfs/dbraw/zinc/98/85/01/526988501.db2.gz MFEIDSQFTMSMTL-UHFFFAOYSA-N 0 0 441.877 4.581 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(F)c1)OCc1ccccc1 ZINC000012920258 527001982 /nfs/dbraw/zinc/00/19/82/527001982.db2.gz UTXACMHSEUGEFY-HSZRJFAPSA-N 0 0 431.467 4.783 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(N2CCOCC2)n1 ZINC000021795605 527003555 /nfs/dbraw/zinc/00/35/55/527003555.db2.gz SKUOTVPMPJYMCZ-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(-n2cccn2)n1 ZINC000035597360 527005206 /nfs/dbraw/zinc/00/52/06/527005206.db2.gz HNTWNOARUOHVAZ-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(C[C@H]2CCCO2)c1C ZINC000022092470 527015703 /nfs/dbraw/zinc/01/57/03/527015703.db2.gz NSMKPOFWTGUTQV-MAUKXSAKSA-N 0 0 431.627 4.689 50 0 IJAARN O=C1C[C@@H](c2cc(F)ccc2F)c2c(=O)[nH]c(SCc3ccccc3Cl)nc2N1 ZINC000021785008 527022960 /nfs/dbraw/zinc/02/29/60/527022960.db2.gz FSGXMXJVWBHDKJ-ZDUSSCGKSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[nH]c(SCc3ccccc3Cl)nc2N1 ZINC000021784937 527031729 /nfs/dbraw/zinc/03/17/29/527031729.db2.gz AKXJWNCHUIKBEI-CYBMUJFWSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035482973 527040218 /nfs/dbraw/zinc/04/02/18/527040218.db2.gz LMNNCYAPBKXFQC-REWPJTCUSA-N 0 0 430.527 4.693 50 0 IJAARN O=C(CSc1nc[nH]n1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000020807916 527073257 /nfs/dbraw/zinc/07/32/57/527073257.db2.gz URDYEAXDCLKQIP-OAQYLSRUSA-N 0 0 435.597 4.819 50 0 IJAARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1cc(OCc2ccccc2)ncn1 ZINC000225534808 527089235 /nfs/dbraw/zinc/08/92/35/527089235.db2.gz SNAQSIYWJLLLIH-UHFFFAOYSA-N 0 0 439.450 4.762 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCCC[C@H]4c4ccccn4)no3)ccc2s1 ZINC000012431130 527130928 /nfs/dbraw/zinc/13/09/28/527130928.db2.gz LNYJPTTVXGLWBF-NRFANRHFSA-N 0 0 434.521 4.934 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000018115010 527139632 /nfs/dbraw/zinc/13/96/32/527139632.db2.gz JIYFEUCMMXFETH-UHFFFAOYSA-N 0 0 430.533 4.782 50 0 IJAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000012577050 527143158 /nfs/dbraw/zinc/14/31/58/527143158.db2.gz IAICMIKKMGQQHR-HXUWFJFHSA-N 0 0 429.501 4.609 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1coc(-c2ccccc2)n1 ZINC000012629795 527148233 /nfs/dbraw/zinc/14/82/33/527148233.db2.gz CGMYWSQZVIOPJK-QHCPKHFHSA-N 0 0 426.472 4.946 50 0 IJAARN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012731377 527182848 /nfs/dbraw/zinc/18/28/48/527182848.db2.gz AGTWDANPIQIFHQ-QGZVFWFLSA-N 0 0 443.322 4.737 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1OC(F)F ZINC000011995070 527186873 /nfs/dbraw/zinc/18/68/73/527186873.db2.gz MMYFJSSOONNFDY-CQSZACIVSA-N 0 0 432.370 4.748 50 0 IJAARN O=S(=O)(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccc(F)cc1 ZINC000021038156 527240928 /nfs/dbraw/zinc/24/09/28/527240928.db2.gz QWHJRJKLSNXGOL-IBGZPJMESA-N 0 0 443.887 4.597 50 0 IJAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000001042158 527265912 /nfs/dbraw/zinc/26/59/12/527265912.db2.gz UTDWZRUBNJOOBA-UHFFFAOYSA-N 0 0 444.771 4.639 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(Br)c1 ZINC000001066469 527267762 /nfs/dbraw/zinc/26/77/62/527267762.db2.gz FPQYGLZJOVKFLI-UHFFFAOYSA-N 0 0 427.298 4.630 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000012781512 527272770 /nfs/dbraw/zinc/27/27/70/527272770.db2.gz OPQUMTGOVUQOSZ-UHFFFAOYSA-N 0 0 427.533 4.696 50 0 IJAARN O=S(=O)(c1ccc(F)cc1F)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000012361567 527276228 /nfs/dbraw/zinc/27/62/28/527276228.db2.gz BFPYXGTUKAAMSR-IBGZPJMESA-N 0 0 443.302 4.867 50 0 IJAARN O=S(=O)(c1ccccc1Br)N(Cc1cccs1)Cc1cccs1 ZINC000012818276 527288677 /nfs/dbraw/zinc/28/86/77/527288677.db2.gz ABYFFMBGMNROPT-UHFFFAOYSA-N 0 0 428.398 4.963 50 0 IJAARN O=C(Nc1cccc(Br)c1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012817495 527324797 /nfs/dbraw/zinc/32/47/97/527324797.db2.gz QXAFMFCPWWJGCX-UHFFFAOYSA-N 0 0 426.314 4.528 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012195130 527332207 /nfs/dbraw/zinc/33/22/07/527332207.db2.gz BCDYTFNOOYYMDB-UHFFFAOYSA-N 0 0 432.851 4.541 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1cc(F)ccc1F ZINC000012414530 527353983 /nfs/dbraw/zinc/35/39/83/527353983.db2.gz PRHINNGBYHBOEZ-UHFFFAOYSA-N 0 0 443.812 4.773 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)Nc1ccc(F)cc1 ZINC000017177744 527369795 /nfs/dbraw/zinc/36/97/95/527369795.db2.gz WMKHETGLTUNZMB-UHFFFAOYSA-N 0 0 440.471 4.532 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CCCCC1 ZINC000012620231 527372113 /nfs/dbraw/zinc/37/21/13/527372113.db2.gz ZAQLJAQLEJPYOL-UHFFFAOYSA-N 0 0 437.359 4.769 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000035683569 527372428 /nfs/dbraw/zinc/37/24/28/527372428.db2.gz WUNRCGDWMNWGHM-UHFFFAOYSA-N 0 0 440.308 4.709 50 0 IJAARN Cn1ccc2c1cccc2NC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000263586308 527373794 /nfs/dbraw/zinc/37/37/94/527373794.db2.gz SMQIRDTZYWQTBV-NRFANRHFSA-N 0 0 446.551 4.745 50 0 biogenic IJAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000020744519 527379320 /nfs/dbraw/zinc/37/93/20/527379320.db2.gz PLUHFVQGRLUFDQ-UHFFFAOYSA-N 0 0 447.760 4.567 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)s1 ZINC000033113475 527401787 /nfs/dbraw/zinc/40/17/87/527401787.db2.gz JGHZIKGAXZEZIE-CQSZACIVSA-N 0 0 441.944 4.855 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC000020405937 527410545 /nfs/dbraw/zinc/41/05/45/527410545.db2.gz TXWTZGVDQBXEBO-UHFFFAOYSA-N 0 0 432.368 4.863 50 0 IJAARN Nc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccccc1 ZINC000012342070 527428944 /nfs/dbraw/zinc/42/89/44/527428944.db2.gz RSMAVDCAOKYFBR-UHFFFAOYSA-N 0 0 434.293 4.767 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCCc1ccccc1)nc2-c1ccc(F)cc1 ZINC000035929871 527437889 /nfs/dbraw/zinc/43/78/89/527437889.db2.gz KRUWMYXXKKMZRX-UHFFFAOYSA-N 0 0 438.510 4.918 50 0 IJAARN O=c1c2ccccc2nc(SC[C@H]2CN(Cc3ccccc3)CCO2)n1C1CCCC1 ZINC000012749828 527465080 /nfs/dbraw/zinc/46/50/80/527465080.db2.gz KGUSZDQCDRBMKT-OAQYLSRUSA-N 0 0 435.593 4.505 50 0 IJAARN O=C(NC1CCCCCCCCCCC1)c1nc(-n2cnnc2)ccc1Br ZINC000021653384 527522212 /nfs/dbraw/zinc/52/22/12/527522212.db2.gz FNLQFPVDTQZVES-UHFFFAOYSA-N 0 0 434.382 4.828 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000035424661 527525480 /nfs/dbraw/zinc/52/54/80/527525480.db2.gz KATHXMODUOSUJB-UHFFFAOYSA-N 0 0 427.957 4.621 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc12 ZINC000012681502 527530369 /nfs/dbraw/zinc/53/03/69/527530369.db2.gz NDWZMLULMUBYKT-UHFFFAOYSA-N 0 0 434.496 4.914 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@@]1(C(=O)N(c3ccc(Cl)cc3)N=C1C)[C@H]1CCCN21 ZINC000012550945 527553229 /nfs/dbraw/zinc/55/32/29/527553229.db2.gz GIDBLFMYQGUNMN-RDGATRHJSA-N 0 0 445.954 4.768 50 0 IJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000012374923 527585112 /nfs/dbraw/zinc/58/51/12/527585112.db2.gz FUMRMDQZHPILGB-UHFFFAOYSA-N 0 0 444.457 4.954 50 0 IJAARN Cc1nn(C)c(C)c1CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361688 527635697 /nfs/dbraw/zinc/63/56/97/527635697.db2.gz RNGROBUDJFOEQF-UHFFFAOYSA-N 0 0 449.942 4.662 50 0 IJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)OCC(=O)Nc1ccccc1 ZINC000035110504 527660164 /nfs/dbraw/zinc/66/01/64/527660164.db2.gz VHJHPDBOACETCX-YPKPFQOOSA-N 0 0 429.501 4.796 50 0 IJAARN FC(F)(F)c1cnc(NC[C@H]2CC(c3ccnc(-c4ccccc4)n3)=NO2)c(Cl)c1 ZINC000020404916 527689447 /nfs/dbraw/zinc/68/94/47/527689447.db2.gz SKLRZRVWUGQVHE-CQSZACIVSA-N 0 0 433.821 4.816 50 0 IJAARN CCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)c1 ZINC000002875814 535327142 /nfs/dbraw/zinc/32/71/42/535327142.db2.gz MYTHJYFPLNDFKI-UHFFFAOYSA-N 0 0 443.975 4.830 50 0 IJAARN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 ZINC000001844734 535327159 /nfs/dbraw/zinc/32/71/59/535327159.db2.gz APNWFHARCYAZRD-UHFFFAOYSA-N 0 0 447.535 4.673 50 0 IJAARN CCN(C(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c32)C1)c1ccccc1 ZINC000008596268 535689441 /nfs/dbraw/zinc/68/94/41/535689441.db2.gz BYXKTWWVVJNQFH-GOSISDBHSA-N 0 0 445.498 4.693 50 0 IJAARN CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21)c1ccc(Cl)cc1 ZINC000010917908 535881777 /nfs/dbraw/zinc/88/17/77/535881777.db2.gz UCLFLCCKROQECQ-SFHVURJKSA-N 0 0 445.972 4.702 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3OC)[C@H]2c2ccccc2)cc1 ZINC000009683637 536660130 /nfs/dbraw/zinc/66/01/30/536660130.db2.gz ZHWZUBSGKQAYHW-ZEQKJWHPSA-N 0 0 444.531 4.505 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2C2=Cc3ccc(OC)cc3OC2)c(OC)c1 ZINC000010950770 536665382 /nfs/dbraw/zinc/66/53/82/536665382.db2.gz UCIUHWQAYDQIOJ-VWLOTQADSA-N 0 0 444.487 4.587 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnn(-c3ccccc3)c2)c(OC)c1 ZINC000014094379 536666577 /nfs/dbraw/zinc/66/65/77/536666577.db2.gz IQAXXPNCYRDREZ-DEOSSOPVSA-N 0 0 426.476 4.661 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2C2=Cc3ccc(OC)cc3OC2)c(OC)c1 ZINC000010950769 536666698 /nfs/dbraw/zinc/66/66/98/536666698.db2.gz UCIUHWQAYDQIOJ-RUZDIDTESA-N 0 0 444.487 4.587 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(=O)oc2c1 ZINC000009410547 536963825 /nfs/dbraw/zinc/96/38/25/536963825.db2.gz QROMJTGIUGKZQN-UHFFFAOYSA-N 0 0 434.536 4.918 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)nnc1-c1ccco1 ZINC000009224199 555510090 /nfs/dbraw/zinc/51/00/90/555510090.db2.gz HEPQTZWKKPDOPZ-VAWYXSNFSA-N 0 0 431.521 4.854 50 0 IJAARN O=C(Nc1ccc(Br)cc1)N1NC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000598730 555510794 /nfs/dbraw/zinc/51/07/94/555510794.db2.gz LMUQHXHWJWQXSD-PMACEKPBSA-N 0 0 436.309 4.853 50 0 in-vitro IJAARN Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1-c1nc2ncccc2o1 ZINC000000630099 555514280 /nfs/dbraw/zinc/51/42/80/555514280.db2.gz CDOHGXATPXGOPQ-UHFFFAOYSA-N 0 0 438.281 4.978 50 0 IJAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1C[C@H]1CCCO1 ZINC000000632280 555515192 /nfs/dbraw/zinc/51/51/92/555515192.db2.gz GZGQDUSMTKLMQV-OAHLLOKOSA-N 0 0 426.567 4.516 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)cc1Cl ZINC000000641171 555518360 /nfs/dbraw/zinc/51/83/60/555518360.db2.gz XIDCGANKGSTUQS-SFHVURJKSA-N 0 0 436.364 4.824 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCc1cccs1 ZINC000000646603 555521053 /nfs/dbraw/zinc/52/10/53/555521053.db2.gz OGCRNKFPSWNCQW-UHFFFAOYSA-N 0 0 427.448 4.772 50 0 IJAARN CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000000647509 555521621 /nfs/dbraw/zinc/52/16/21/555521621.db2.gz ILTOYOLVORVDRQ-DZGCQCFKSA-N 0 0 445.283 4.692 50 0 IJAARN CCOC(=O)c1sc(NC(=O)Cc2c(Cl)cccc2Cl)c(C(=O)OCC)c1C ZINC000000648330 555521911 /nfs/dbraw/zinc/52/19/11/555521911.db2.gz NFAHTNNJFIOMQU-UHFFFAOYSA-N 0 0 444.336 4.898 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)o2)c1 ZINC000000653298 555523819 /nfs/dbraw/zinc/52/38/19/555523819.db2.gz BKPKOMQXPICDOL-OAQYLSRUSA-N 0 0 442.409 4.711 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccn4)cc3n2)s1 ZINC000000655298 555524800 /nfs/dbraw/zinc/52/48/00/555524800.db2.gz FMRNULAYCDIHFI-UHFFFAOYSA-N 0 0 431.443 4.995 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccncc2)cc1 ZINC000000664131 555527562 /nfs/dbraw/zinc/52/75/62/555527562.db2.gz XGBUWAUSFXICIY-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc3ccccc3c2)c1C(N)=O ZINC000000674019 555532815 /nfs/dbraw/zinc/53/28/15/555532815.db2.gz UDPOWZFLBPMPEO-UHFFFAOYSA-N 0 0 430.529 4.917 50 0 IJAARN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 ZINC000000687343 555540359 /nfs/dbraw/zinc/54/03/59/555540359.db2.gz GBGUPNMGIZWUSK-UHFFFAOYSA-N 0 0 430.961 4.902 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)N2C(=O)CCSC2=N1 ZINC000000702238 555542917 /nfs/dbraw/zinc/54/29/17/555542917.db2.gz KIEUIMPWDWIOAS-FQEVSTJZSA-N 0 0 426.925 4.734 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000709175 555546121 /nfs/dbraw/zinc/54/61/21/555546121.db2.gz BMBUUPOJSFKUHT-QGZVFWFLSA-N 0 0 445.544 4.904 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc3cccnc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000714069 555548024 /nfs/dbraw/zinc/54/80/24/555548024.db2.gz FSLOZBLOWOCHIT-UHFFFAOYSA-N 0 0 445.544 4.686 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000000715392 555548643 /nfs/dbraw/zinc/54/86/43/555548643.db2.gz QJRBXNKXQRPQFY-KRWDZBQOSA-N 0 0 428.941 4.533 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000000720749 555549849 /nfs/dbraw/zinc/54/98/49/555549849.db2.gz NDXGAVFCTCHOCE-ZEQRLZLVSA-N 0 0 431.488 4.798 50 0 IJAARN CCOc1cc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc(OCC)c1OCC ZINC000000724552 555551133 /nfs/dbraw/zinc/55/11/33/555551133.db2.gz FPBCPDYDRZLHEI-UHFFFAOYSA-N 0 0 436.961 4.971 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000000725791 555551348 /nfs/dbraw/zinc/55/13/48/555551348.db2.gz UDPGHBMLPMRGPN-RUZDIDTESA-N 0 0 442.515 4.679 50 0 IJAARN CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1 ZINC000000738592 555553128 /nfs/dbraw/zinc/55/31/28/555553128.db2.gz FYGHSYMDIZKIDN-UHFFFAOYSA-N 0 0 427.548 4.772 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)cc1OC ZINC000000783859 555555505 /nfs/dbraw/zinc/55/55/05/555555505.db2.gz XGUBHDMKXDSYFW-OAHLLOKOSA-N 0 0 425.403 4.533 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cccnc2)cc1 ZINC000000796439 555558309 /nfs/dbraw/zinc/55/83/09/555558309.db2.gz GUANDVPTRBEDJZ-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827100 555565458 /nfs/dbraw/zinc/56/54/58/555565458.db2.gz XHQJJACIOJPRBN-UHFFFAOYSA-N 0 0 436.777 4.922 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000000839603 555567563 /nfs/dbraw/zinc/56/75/63/555567563.db2.gz LKUJQHZQXVQVHG-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CC(C)OC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000845181 555569029 /nfs/dbraw/zinc/56/90/29/555569029.db2.gz MCWJNNPTXYYMSA-UHFFFAOYSA-N 0 0 428.208 4.743 50 0 IJAARN O=C(c1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1Cl)N1CCCC1 ZINC000000848604 555570134 /nfs/dbraw/zinc/57/01/34/555570134.db2.gz RRZOVWQBLCYHHP-UHFFFAOYSA-N 0 0 429.229 4.958 50 0 IJAARN O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1ccc(Cl)cc1Cl ZINC000000849985 555570482 /nfs/dbraw/zinc/57/04/82/555570482.db2.gz RYCHBVUDIBECHL-UHFFFAOYSA-N 0 0 447.299 4.774 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cccc(Cl)c2)NC(=S)N1 ZINC000000862573 555572993 /nfs/dbraw/zinc/57/29/93/555572993.db2.gz UJMMUOINJUFQCT-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000000873124 555575882 /nfs/dbraw/zinc/57/58/82/555575882.db2.gz CXKDZTXYHJCRLP-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)c1 ZINC000000884134 555578691 /nfs/dbraw/zinc/57/86/91/555578691.db2.gz KEYJRPUGJSYOTD-QZTJIDSGSA-N 0 0 432.402 4.510 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(OC)c1 ZINC000000901786 555581364 /nfs/dbraw/zinc/58/13/64/555581364.db2.gz XYSQFBDIFQGDDQ-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CCOCC2)C1 ZINC000000920987 555584682 /nfs/dbraw/zinc/58/46/82/555584682.db2.gz KTEJHDVUQHYQDL-HNNXBMFYSA-N 0 0 444.572 4.763 50 0 IJAARN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c(OC)c1 ZINC000000946520 555588215 /nfs/dbraw/zinc/58/82/15/555588215.db2.gz GNOZEIRSFYJQAO-UHFFFAOYSA-N 0 0 425.329 4.904 50 0 IJAARN C[C@H](Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)OCc1ccccc1Cl ZINC000000952300 555589331 /nfs/dbraw/zinc/58/93/31/555589331.db2.gz NHHQMPRZYKASGT-HNNXBMFYSA-N 0 0 435.863 4.651 50 0 IJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1OC ZINC000000957869 555590567 /nfs/dbraw/zinc/59/05/67/555590567.db2.gz RHDHVCVQZCCJDF-UXBLZVDNSA-N 0 0 437.277 4.659 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2CC)cc1 ZINC000000976928 555592509 /nfs/dbraw/zinc/59/25/09/555592509.db2.gz CSJZCUGCEMAJST-UHFFFAOYSA-N 0 0 445.976 4.693 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000000977675 555592827 /nfs/dbraw/zinc/59/28/27/555592827.db2.gz XJTMRGGIHLNNPL-UHFFFAOYSA-N 0 0 433.942 4.608 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000000995985 555598682 /nfs/dbraw/zinc/59/86/82/555598682.db2.gz FQVSSQJIPWPKIA-UHFFFAOYSA-N 0 0 426.472 4.959 50 0 IJAARN CC(C)CNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000000999608 555600107 /nfs/dbraw/zinc/60/01/07/555600107.db2.gz AKMGOLQNAPHUMG-LSDHHAIUSA-N 0 0 445.283 4.692 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000001006598 555601087 /nfs/dbraw/zinc/60/10/87/555601087.db2.gz NNEDQWZSMFTWGY-LLVKDONJSA-N 0 0 441.119 4.820 50 0 IJAARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(Nc3ccc(C)cc3)C=C(C)[C@H]2C(=O)OC)cc1 ZINC000001019507 555603418 /nfs/dbraw/zinc/60/34/18/555603418.db2.gz WGCMAJCJJWEHFZ-PKTZIBPZSA-N 0 0 435.520 4.766 50 0 IJAARN O=C(OCc1cccc(F)c1)c1cccc(-n2nnnc2SCc2ccccc2F)c1 ZINC000001060861 555616081 /nfs/dbraw/zinc/61/60/81/555616081.db2.gz CQWZJXBFPZJABZ-UHFFFAOYSA-N 0 0 438.459 4.590 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001064984 555617826 /nfs/dbraw/zinc/61/78/26/555617826.db2.gz JASXYEJRJBWYMI-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1cccc(-c2noc(CN(C(=O)COc3ccc(Br)cc3)C(C)C)n2)c1 ZINC000001069072 555619953 /nfs/dbraw/zinc/61/99/53/555619953.db2.gz WMLXBHIPENKBHR-UHFFFAOYSA-N 0 0 444.329 4.624 50 0 IJAARN CCOc1ccc([C@H]2Oc3c(cc(Br)cc3OC)C=C2[N+](=O)[O-])cc1OC ZINC000001070922 555621104 /nfs/dbraw/zinc/62/11/04/555621104.db2.gz WOZFYSBNRUZDOZ-GOSISDBHSA-N 0 0 436.258 4.616 50 0 IJAARN CCOc1ccc([C@@H]2Oc3c(cc(Br)cc3OC)C=C2[N+](=O)[O-])cc1OC ZINC000001070920 555621172 /nfs/dbraw/zinc/62/11/72/555621172.db2.gz WOZFYSBNRUZDOZ-SFHVURJKSA-N 0 0 436.258 4.616 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000001070688 555621204 /nfs/dbraw/zinc/62/12/04/555621204.db2.gz FUKKQMNVKAVYPO-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000001072128 555621463 /nfs/dbraw/zinc/62/14/63/555621463.db2.gz OGNNSEXWXAUCJW-CQSZACIVSA-N 0 0 435.749 4.965 50 0 IJAARN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000001073032 555622297 /nfs/dbraw/zinc/62/22/97/555622297.db2.gz CPLUWDCDXQERKX-MRXNPFEDSA-N 0 0 428.941 4.656 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(Cl)c1 ZINC000001111068 555631714 /nfs/dbraw/zinc/63/17/14/555631714.db2.gz GEBYAWISGMKIEV-UHFFFAOYSA-N 0 0 448.903 4.676 50 0 IJAARN CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001112871 555632609 /nfs/dbraw/zinc/63/26/09/555632609.db2.gz MTPIQBWJFOXQIF-UHFFFAOYSA-N 0 0 448.903 4.531 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000001118464 555635816 /nfs/dbraw/zinc/63/58/16/555635816.db2.gz QZOHJDOSQGLPDP-UHFFFAOYSA-N 0 0 444.556 4.542 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2-c2ccccc2)c1 ZINC000001119142 555636424 /nfs/dbraw/zinc/63/64/24/555636424.db2.gz UFSDTYWHLBFMCL-UHFFFAOYSA-N 0 0 428.561 4.694 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000001119603 555636671 /nfs/dbraw/zinc/63/66/71/555636671.db2.gz AFMSZPUWTYZZHE-UHFFFAOYSA-N 0 0 431.359 4.848 50 0 IJAARN CCOC(=O)c1sc(NC(=S)N[C@H]2CCCc3ccccc32)c(C(=O)OCC)c1C ZINC000001121392 555638271 /nfs/dbraw/zinc/63/82/71/555638271.db2.gz YHOXPWNCPVSZGO-INIZCTEOSA-N 0 0 446.594 4.774 50 0 IJAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000001132624 555645450 /nfs/dbraw/zinc/64/54/50/555645450.db2.gz YQPBHTQJHPGFQJ-UHFFFAOYSA-N 0 0 425.743 4.815 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001133407 555646062 /nfs/dbraw/zinc/64/60/62/555646062.db2.gz MPJREFIOUQCZQM-LLVKDONJSA-N 0 0 438.336 4.850 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1C ZINC000001133867 555646314 /nfs/dbraw/zinc/64/63/14/555646314.db2.gz AYWVHMRZBWRVKO-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN CC(C)C(NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)C(C)C ZINC000001138321 555648046 /nfs/dbraw/zinc/64/80/46/555648046.db2.gz PWMIVWJXPUDWCW-UHFFFAOYSA-N 0 0 437.005 4.717 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(C)c1 ZINC000001141785 555650655 /nfs/dbraw/zinc/65/06/55/555650655.db2.gz MBIUVGWPZAWTGK-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1Cl ZINC000001144325 555652354 /nfs/dbraw/zinc/65/23/54/555652354.db2.gz AMMQQVKYNDRCMP-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000001151405 555656638 /nfs/dbraw/zinc/65/66/38/555656638.db2.gz WBPFHELBCWOMGF-UHFFFAOYSA-N 0 0 441.350 4.821 50 0 IJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cncc(Br)c1 ZINC000001153051 555657557 /nfs/dbraw/zinc/65/75/57/555657557.db2.gz ZTBXKJNVTRUOCT-UHFFFAOYSA-N 0 0 442.704 4.792 50 0 IJAARN O=C(CSc1nnc(CCc2ccccc2)n1Cc1ccccc1)NCc1ccccc1 ZINC000001159511 555660802 /nfs/dbraw/zinc/66/08/02/555660802.db2.gz MDRORBCTMCSAFN-UHFFFAOYSA-N 0 0 442.588 4.520 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000001160125 555661094 /nfs/dbraw/zinc/66/10/94/555661094.db2.gz LHYBBVSEEGYXAL-UHFFFAOYSA-N 0 0 443.572 4.932 50 0 IJAARN COc1ccccc1C(=O)C[C@]1(O)c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000001163911 555663186 /nfs/dbraw/zinc/66/31/86/555663186.db2.gz WRMUSPAGANXCJB-NDEPHWFRSA-N 0 0 437.495 4.856 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000001163564 555663196 /nfs/dbraw/zinc/66/31/96/555663196.db2.gz HLVCMWBSULZCKC-UHFFFAOYSA-N 0 0 449.016 4.678 50 0 IJAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1I ZINC000001164754 555663512 /nfs/dbraw/zinc/66/35/12/555663512.db2.gz CAQJSYUTLXGXMA-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2cccc(Cl)c2)cc1 ZINC000001173097 555668219 /nfs/dbraw/zinc/66/82/19/555668219.db2.gz HHAFDRYSYIEYTH-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001177654 555670266 /nfs/dbraw/zinc/67/02/66/555670266.db2.gz FEUCXESWLOYBON-AWEZNQCLSA-N 0 0 445.357 4.747 50 0 IJAARN CC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000001180594 555671691 /nfs/dbraw/zinc/67/16/91/555671691.db2.gz QPTISVOESFZZIZ-UHFFFAOYSA-N 0 0 427.323 4.932 50 0 IJAARN O=c1oc2ccccc2cc1-c1nnc(Nc2ccccc2I)s1 ZINC000001183616 555673031 /nfs/dbraw/zinc/67/30/31/555673031.db2.gz YWPWOWBAUBELOK-UHFFFAOYSA-N 0 0 447.257 4.660 50 0 IJAARN COc1ccc(CCNC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC ZINC000001186855 555674727 /nfs/dbraw/zinc/67/47/27/555674727.db2.gz YAIWXNHRDYHHPJ-DEOSSOPVSA-N 0 0 429.560 4.986 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Br)NC(=S)N1 ZINC000001191392 555675793 /nfs/dbraw/zinc/67/57/93/555675793.db2.gz PJZSUVXENFOWJW-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1Cl ZINC000001191236 555675805 /nfs/dbraw/zinc/67/58/05/555675805.db2.gz SXLKXBZAAVZMNA-UHFFFAOYSA-N 0 0 427.869 4.877 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001192023 555675818 /nfs/dbraw/zinc/67/58/18/555675818.db2.gz OSRTVMSFOVYGEH-UHFFFAOYSA-N 0 0 444.940 4.845 50 0 IJAARN CCOc1cccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 ZINC000001193780 555676094 /nfs/dbraw/zinc/67/60/94/555676094.db2.gz ZMJRUWCAXFJNRK-UHFFFAOYSA-N 0 0 426.472 4.959 50 0 IJAARN Cc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001199378 555677953 /nfs/dbraw/zinc/67/79/53/555677953.db2.gz QZVBMYHKWHSOHS-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NC1CCCCC1 ZINC000001219341 555685359 /nfs/dbraw/zinc/68/53/59/555685359.db2.gz MMCMIKBVQNDLLR-UHFFFAOYSA-N 0 0 441.380 4.638 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001306316 555689673 /nfs/dbraw/zinc/68/96/73/555689673.db2.gz AFWRKDGRAYFBNP-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc([C@@H](O)c3ccccc3)n2-c2ccccc2)c1C ZINC000001437207 555697175 /nfs/dbraw/zinc/69/71/75/555697175.db2.gz BHZCURSSFGHQPU-QHCPKHFHSA-N 0 0 444.560 4.697 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)cc1 ZINC000001443893 555698485 /nfs/dbraw/zinc/69/84/85/555698485.db2.gz NHGNIHZRRUZUCQ-JOCHJYFZSA-N 0 0 449.457 4.639 50 0 IJAARN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1ccco1)N1CCOCC1 ZINC000001448774 555699541 /nfs/dbraw/zinc/69/95/41/555699541.db2.gz IPHYESYSJDBMDX-OAQYLSRUSA-N 0 0 426.538 4.640 50 0 IJAARN CCOc1ccc(-c2c(C)sc3ncn(CC(=O)OC4CCCCC4)c(=O)c32)cc1 ZINC000001892827 555722939 /nfs/dbraw/zinc/72/29/39/555722939.db2.gz KRNAIDZINQHTSR-UHFFFAOYSA-N 0 0 426.538 4.708 50 0 IJAARN O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002062887 555732527 /nfs/dbraw/zinc/73/25/27/555732527.db2.gz VEXIVWUMJUAWNA-UHFFFAOYSA-N 0 0 449.890 4.716 50 0 IJAARN O=C1N[C@]2(c3ccccc3)N(c3ccccc3)c3ccccc3[C@]2(Cc2ccccc2)C1=O ZINC000002077915 555736047 /nfs/dbraw/zinc/73/60/47/555736047.db2.gz JHNZNZJOUPKCGV-FQLXRVMXSA-N 0 0 430.507 4.871 50 0 IJAARN CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CCCCCC2 ZINC000002081623 555738116 /nfs/dbraw/zinc/73/81/16/555738116.db2.gz UGRZDTOCCJRBGA-UHFFFAOYSA-N 0 0 431.554 4.782 50 0 IJAARN COc1ccc(Cc2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 ZINC000071890050 555741436 /nfs/dbraw/zinc/74/14/36/555741436.db2.gz GMFWWVKGQXECCM-UHFFFAOYSA-N 0 0 429.314 4.528 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000002211639 555758312 /nfs/dbraw/zinc/75/83/12/555758312.db2.gz YQWJEZFAPQMPSV-UHFFFAOYSA-N 0 0 438.940 4.876 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 ZINC000002215931 555758907 /nfs/dbraw/zinc/75/89/07/555758907.db2.gz HJPPXSZNGIOJFQ-UHFFFAOYSA-N 0 0 429.977 4.713 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1 ZINC000002229189 555760291 /nfs/dbraw/zinc/76/02/91/555760291.db2.gz VNWYCYVEUUCNSM-UHFFFAOYSA-N 0 0 447.607 4.969 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4F)C32)cc1 ZINC000002251291 555762537 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IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2Cc2ccco2)c1 ZINC000002446282 555780237 /nfs/dbraw/zinc/78/02/37/555780237.db2.gz ABGDJBDLTRNBBT-UHFFFAOYSA-N 0 0 440.475 4.904 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(OC)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000002542269 555786695 /nfs/dbraw/zinc/78/66/95/555786695.db2.gz MGVISGQXIVLQPB-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN CCOc1cc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(Cl)c1O ZINC000002745951 555808823 /nfs/dbraw/zinc/80/88/23/555808823.db2.gz BKLQMZBFKJKPDD-GOSISDBHSA-N 0 0 430.917 4.911 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000002756399 555811249 /nfs/dbraw/zinc/81/12/49/555811249.db2.gz RYRNFUDALUUFKM-VQTJNVASSA-N 0 0 426.442 4.742 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)c(F)c4)c3n2)cc1 ZINC000002770324 555815243 /nfs/dbraw/zinc/81/52/43/555815243.db2.gz ALDYLVUDSAQTOC-UHFFFAOYSA-N 0 0 430.361 4.873 50 0 IJAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000002773971 555816749 /nfs/dbraw/zinc/81/67/49/555816749.db2.gz XAZSVFVEKCQKHB-FQEVSTJZSA-N 0 0 444.915 4.548 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708222 555822820 /nfs/dbraw/zinc/82/28/20/555822820.db2.gz WTAMVORCMIVZKN-IBVKSMDESA-N 0 0 442.559 4.686 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1cccs1 ZINC000002796791 555822832 /nfs/dbraw/zinc/82/28/32/555822832.db2.gz YTLPSYGUFZPPFC-UHFFFAOYSA-N 0 0 431.941 4.895 50 0 IJAARN COc1cc(-c2nc(C(=O)NCc3ccncc3)cs2)ccc1OCc1cccc(F)c1 ZINC000034712374 555825556 /nfs/dbraw/zinc/82/55/56/555825556.db2.gz YOJLVTWFWIGZHT-UHFFFAOYSA-N 0 0 449.507 4.862 50 0 IJAARN COc1ccccc1N[C@H](CC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc(C)c(C)c1 ZINC000002818532 555829449 /nfs/dbraw/zinc/82/94/49/555829449.db2.gz LXUJDADLQDAZRI-HSZRJFAPSA-N 0 0 445.515 4.792 50 0 IJAARN Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1C ZINC000002819011 555829463 /nfs/dbraw/zinc/82/94/63/555829463.db2.gz CKNJWXHCIYFVJV-QHCPKHFHSA-N 0 0 433.479 4.922 50 0 IJAARN COCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1-c1cccc2ccccc21 ZINC000002839752 555835001 /nfs/dbraw/zinc/83/50/01/555835001.db2.gz CGDZKFFLHQHMFJ-UHFFFAOYSA-N 0 0 432.549 4.915 50 0 IJAARN CCOC(=O)c1ccc(NCc2cn3c(nc4sc5c(c4c3=O)CCCC5)s2)cc1 ZINC000002843165 555836359 /nfs/dbraw/zinc/83/63/59/555836359.db2.gz MNFYFRIEYBOBDJ-UHFFFAOYSA-N 0 0 439.562 4.638 50 0 IJAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000002842858 555836400 /nfs/dbraw/zinc/83/64/00/555836400.db2.gz LQXXRDWYOBUHTR-ZDUSSCGKSA-N 0 0 436.459 4.705 50 0 IJAARN S=C(NCc1ccc(Cl)cc1)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000002851780 555839790 /nfs/dbraw/zinc/83/97/90/555839790.db2.gz YEXQNXPMZDORDB-UHFFFAOYSA-N 0 0 426.760 4.773 50 0 IJAARN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002851914 555839844 /nfs/dbraw/zinc/83/98/44/555839844.db2.gz LFLHNTDQBORWCL-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 ZINC000002853006 555840178 /nfs/dbraw/zinc/84/01/78/555840178.db2.gz YZSITBXWQHYDCV-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(I)cc3)ccc12 ZINC000002853936 555840820 /nfs/dbraw/zinc/84/08/20/555840820.db2.gz NGWVYXWORWOVCC-UHFFFAOYSA-N 0 0 436.274 4.515 50 0 IJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1cccc(NC(C)=O)c1 ZINC000002855511 555841412 /nfs/dbraw/zinc/84/14/12/555841412.db2.gz KUIMZHORDNVQDK-UHFFFAOYSA-N 0 0 425.535 4.969 50 0 IJAARN CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000002859460 555843510 /nfs/dbraw/zinc/84/35/10/555843510.db2.gz OEPVUUSVYXPUGZ-HOCLYGCPSA-N 0 0 428.558 4.507 50 0 IJAARN Cc1sc2ncnc(SCC(=O)NC[C@@H]3CCCO3)c2c1-c1ccc(Cl)cc1 ZINC000002861737 555845107 /nfs/dbraw/zinc/84/51/07/555845107.db2.gz VTSOBNINIFGZTP-HNNXBMFYSA-N 0 0 433.986 4.707 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2I)cc1OC ZINC000002865941 555847443 /nfs/dbraw/zinc/84/74/43/555847443.db2.gz SEKUMVRXBZOZAG-UHFFFAOYSA-N 0 0 445.684 4.994 50 0 IJAARN C/C=C/c1ccc(OCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(OC)c1 ZINC000002868506 555848361 /nfs/dbraw/zinc/84/83/61/555848361.db2.gz NMTREAKTNYSALF-XCVCLJGOSA-N 0 0 442.515 4.603 50 0 IJAARN CCCCOc1ccccc1[C@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O ZINC000002874061 555851152 /nfs/dbraw/zinc/85/11/52/555851152.db2.gz QIHZZKLLKLIEBP-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCCOc1ccc(Cl)cc1 ZINC000002875760 555852312 /nfs/dbraw/zinc/85/23/12/555852312.db2.gz BZXUGJKPMFDBBM-UHFFFAOYSA-N 0 0 432.907 4.721 50 0 IJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000002897930 555860225 /nfs/dbraw/zinc/86/02/25/555860225.db2.gz ULECTPUINSKGHH-GZTJUZNOSA-N 0 0 433.327 4.954 50 0 IJAARN CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000002901174 555860583 /nfs/dbraw/zinc/86/05/83/555860583.db2.gz PBYSHMALKRSBIQ-UHFFFAOYSA-N 0 0 441.347 4.989 50 0 IJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000002916808 555862867 /nfs/dbraw/zinc/86/28/67/555862867.db2.gz QIXOQKNKXURJFO-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000002918322 555863160 /nfs/dbraw/zinc/86/31/60/555863160.db2.gz URMTUELYSJHQMR-UHFFFAOYSA-N 0 0 434.323 4.589 50 0 IJAARN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccco3)CN(C(=O)Nc3ccccc3)C2)ccc1F ZINC000034716309 555865726 /nfs/dbraw/zinc/86/57/26/555865726.db2.gz OGHOWDDAFBFXQQ-WOJBJXKFSA-N 0 0 435.499 4.681 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)cc1Cl)Nc1ccccc1-2 ZINC000002978310 555870575 /nfs/dbraw/zinc/87/05/75/555870575.db2.gz ONDRQHUOBZNJHU-SFHVURJKSA-N 0 0 430.917 4.824 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2Cl)cc1 ZINC000002978711 555870994 /nfs/dbraw/zinc/87/09/94/555870994.db2.gz LCZJRSXOFDUUMZ-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 ZINC000002994741 555876009 /nfs/dbraw/zinc/87/60/09/555876009.db2.gz JBUUOMGQQGOJOR-UHFFFAOYSA-N 0 0 445.548 4.726 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)Cc3cccs3)cc2)C1=O ZINC000034734492 555879320 /nfs/dbraw/zinc/87/93/20/555879320.db2.gz XHVCBFNCEGGRDY-UHFFFAOYSA-N 0 0 435.549 4.770 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1=O ZINC000034734478 555879377 /nfs/dbraw/zinc/87/93/77/555879377.db2.gz LXYVVKXWTDFHEU-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1ccccc1C(=O)N[C@H](NC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000003130736 555890205 /nfs/dbraw/zinc/89/02/05/555890205.db2.gz VBAJWPJFFHMTMU-OAHLLOKOSA-N 0 0 435.138 4.896 50 0 IJAARN CCOC(=O)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003130870 555890490 /nfs/dbraw/zinc/89/04/90/555890490.db2.gz YHBOZYFBKLJSRQ-VIFPVBQESA-N 0 0 439.579 4.722 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003137303 555891106 /nfs/dbraw/zinc/89/11/06/555891106.db2.gz SVCNWRZZXIJCSZ-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN O=C(Nc1nccs1)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1 ZINC000003146595 555892045 /nfs/dbraw/zinc/89/20/45/555892045.db2.gz IPSMSBGYRFKETI-UHFFFAOYSA-N 0 0 442.500 4.900 50 0 IJAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCC2CC2)cc1 ZINC000034786020 555896583 /nfs/dbraw/zinc/89/65/83/555896583.db2.gz JXXHSYZBHUDLBS-UHFFFAOYSA-N 0 0 445.445 4.680 50 0 IJAARN COc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2ccc(F)cc2)CC3)c1 ZINC000034755547 555900496 /nfs/dbraw/zinc/90/04/96/555900496.db2.gz MOCFMCWLQHMHNA-UHFFFAOYSA-N 0 0 434.515 4.575 50 0 IJAARN CN(Cc1nn(-c2cccc(F)c2)c2c1CN(Cc1ccccc1)CC2)C(=O)C(C)(C)C ZINC000034762102 555904354 /nfs/dbraw/zinc/90/43/54/555904354.db2.gz ANECORBZVKAXTN-UHFFFAOYSA-N 0 0 434.559 4.574 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000003229630 555904838 /nfs/dbraw/zinc/90/48/38/555904838.db2.gz NBLDYFFBWDNROB-HOTGVXAUSA-N 0 0 446.956 4.750 50 0 IJAARN CCCCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034905471 555919750 /nfs/dbraw/zinc/91/97/50/555919750.db2.gz JSQAWAFZCXKDLD-UXHICEINSA-N 0 0 443.613 4.686 50 0 IJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)CC(C)C)cs2)c1 ZINC000034905562 555919781 /nfs/dbraw/zinc/91/97/81/555919781.db2.gz ABTZGZMFKGOHRI-UXHICEINSA-N 0 0 443.613 4.542 50 0 IJAARN Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)CC(C)C)cs2)c1 ZINC000034905559 555919814 /nfs/dbraw/zinc/91/98/14/555919814.db2.gz ABTZGZMFKGOHRI-VQTJNVASSA-N 0 0 443.613 4.542 50 0 IJAARN CCc1ccc(N2C[C@@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034916331 555930548 /nfs/dbraw/zinc/93/05/48/555930548.db2.gz SPVJUGKJMWGXJA-VWLOTQADSA-N 0 0 426.560 4.873 50 0 IJAARN CCc1ccc(N2C[C@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034916330 555930579 /nfs/dbraw/zinc/93/05/79/555930579.db2.gz SPVJUGKJMWGXJA-RUZDIDTESA-N 0 0 426.560 4.873 50 0 IJAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCC[C@@H]1C ZINC000034919718 555931178 /nfs/dbraw/zinc/93/11/78/555931178.db2.gz PUJJCFTUKNZWHO-SJORKVTESA-N 0 0 447.576 4.534 50 0 IJAARN CCCN(Cc1cc(NS(=O)(=O)c2ccccc2)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921863 555932399 /nfs/dbraw/zinc/93/23/99/555932399.db2.gz VXALNBVDLDRPJT-UHFFFAOYSA-N 0 0 445.629 4.728 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 ZINC000034924477 555933222 /nfs/dbraw/zinc/93/32/22/555933222.db2.gz ISIROKNWOQISTH-UHFFFAOYSA-N 0 0 438.446 4.557 50 0 IJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000003670156 555945350 /nfs/dbraw/zinc/94/53/50/555945350.db2.gz YSOABHXUTDAWQE-YIXXDRMTSA-N 0 0 441.531 4.694 50 0 IJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@H]2CCCc3ccccc32)cc1C ZINC000003670155 555945442 /nfs/dbraw/zinc/94/54/42/555945442.db2.gz YSOABHXUTDAWQE-HOFKKMOUSA-N 0 0 441.531 4.694 50 0 IJAARN CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000004173395 555972657 /nfs/dbraw/zinc/97/26/57/555972657.db2.gz FABGEGAGWQSJKM-WKPIXPDZSA-N 0 0 445.283 4.834 50 0 IJAARN CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000004177298 555973675 /nfs/dbraw/zinc/97/36/75/555973675.db2.gz ONGSQTSYOTZFPL-SNVBAGLBSA-N 0 0 427.353 4.686 50 0 IJAARN CC(C)Oc1ccc(CSc2nnc3n2c2sc4c(c2c(=O)n3C)CCCC4)cc1 ZINC000004196550 555975395 /nfs/dbraw/zinc/97/53/95/555975395.db2.gz ZGLQWDHQFUSVOP-UHFFFAOYSA-N 0 0 440.594 4.601 50 0 IJAARN COc1ccc(CCN2CN=C(SCc3c(C)c(C)c(C)c(C)c3C)NC2)cc1OC ZINC000004480747 555996904 /nfs/dbraw/zinc/99/69/04/555996904.db2.gz SLXJPKFYQUGMKQ-UHFFFAOYSA-N 0 0 441.641 4.898 50 0 IJAARN COC(=O)C[C@@H](O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000004773718 556011335 /nfs/dbraw/zinc/01/13/35/556011335.db2.gz BOCZYIUKFAQNLG-DSJWGCTQSA-N 0 0 425.500 4.717 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCC3)cc1 ZINC000004779457 556011465 /nfs/dbraw/zinc/01/14/65/556011465.db2.gz XGQIUBCYQAHFAK-UHFFFAOYSA-N 0 0 426.582 4.771 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000006397142 556086560 /nfs/dbraw/zinc/08/65/60/556086560.db2.gz KLZRMPINXQIMTM-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000022659311 556093492 /nfs/dbraw/zinc/09/34/92/556093492.db2.gz YIFRRYWRNYMEPK-GFJSAUFNSA-N 0 0 439.380 4.615 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000002440944 556099963 /nfs/dbraw/zinc/09/99/63/556099963.db2.gz MASHGOOAGCBXJO-YJYMSZOUSA-N 0 0 448.277 4.963 50 0 IJAARN CCOc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000010584481 556115082 /nfs/dbraw/zinc/11/50/82/556115082.db2.gz PQEBBXCMZZKYLN-QHCPKHFHSA-N 0 0 443.547 4.603 50 0 IJAARN COCCn1c(=O)c2ccccc2nc1SCc1csc(Nc2ccc(C)cc2)n1 ZINC000002619530 556115126 /nfs/dbraw/zinc/11/51/26/556115126.db2.gz CMFMPODNOCAMDP-UHFFFAOYSA-N 0 0 438.578 4.844 50 0 IJAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4OC)cc2-3)OCO5)cc1 ZINC000002688464 556119325 /nfs/dbraw/zinc/11/93/25/556119325.db2.gz MPWRPMIUPIYYHY-UHFFFAOYSA-N 0 0 439.471 4.997 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccc(F)cc2)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002692064 556120276 /nfs/dbraw/zinc/12/02/76/556120276.db2.gz RPHARLQSEQIZBG-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002693624 556120898 /nfs/dbraw/zinc/12/08/98/556120898.db2.gz KIJKEOWKQJKXQC-UHFFFAOYSA-N 0 0 437.904 4.961 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cc(C)ccc1C ZINC000002691138 556122063 /nfs/dbraw/zinc/12/20/63/556122063.db2.gz SCXFTPUSAWUXHJ-UHFFFAOYSA-N 0 0 447.556 4.898 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2cccc(Cl)c2)cc1S(=O)(=O)c1ccccc1 ZINC000002691105 556122081 /nfs/dbraw/zinc/12/20/81/556122081.db2.gz OSTORHRKYHJUNP-UHFFFAOYSA-N 0 0 427.884 4.675 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002704176 556123222 /nfs/dbraw/zinc/12/32/22/556123222.db2.gz KRCYBZDGDXVODJ-DEOSSOPVSA-N 0 0 441.483 4.869 50 0 IJAARN COc1cccc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)c1 ZINC000002720752 556127420 /nfs/dbraw/zinc/12/74/20/556127420.db2.gz BDAYOOXSSJFSRD-UHFFFAOYSA-N 0 0 441.512 4.851 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1C(C)C ZINC000002713509 556129198 /nfs/dbraw/zinc/12/91/98/556129198.db2.gz GDDCBPDLZXBVSZ-UHFFFAOYSA-N 0 0 437.521 4.853 50 0 IJAARN C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724498 556133335 /nfs/dbraw/zinc/13/33/35/556133335.db2.gz QBDQRZGAMKCHEZ-CMJOXMDJSA-N 0 0 438.886 4.817 50 0 IJAARN O=C(Nc1ccc(Br)cc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725323 556133579 /nfs/dbraw/zinc/13/35/79/556133579.db2.gz HNWMAPMCEODMMJ-HNNXBMFYSA-N 0 0 437.599 4.912 50 0 IJAARN O=C(NCc1cc2ccccc2[nH]1)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002782188 556138074 /nfs/dbraw/zinc/13/80/74/556138074.db2.gz FNGSWVOBFZOPBB-UHFFFAOYSA-N 0 0 441.438 4.888 50 0 IJAARN Cc1cc(C(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002787039 556138836 /nfs/dbraw/zinc/13/88/36/556138836.db2.gz RHZFMBOOPYTTRG-LBPRGKRZSA-N 0 0 430.528 4.981 50 0 IJAARN CCn1cc(NC(=O)c2ccc(COc3cc(C)c(Cl)cc3C(C)C)o2)c(C(N)=O)n1 ZINC000002796245 556145647 /nfs/dbraw/zinc/14/56/47/556145647.db2.gz DGMUNDFQMNVMBD-UHFFFAOYSA-N 0 0 444.919 4.511 50 0 IJAARN O=C(Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000002827927 556146100 /nfs/dbraw/zinc/14/61/00/556146100.db2.gz MQWXIBTWGQKQSB-UHFFFAOYSA-N 0 0 447.299 4.774 50 0 IJAARN Cc1ccc(C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1C ZINC000002887463 556147509 /nfs/dbraw/zinc/14/75/09/556147509.db2.gz DPXSJLDYXQTKJG-UHFFFAOYSA-N 0 0 427.456 4.559 50 0 IJAARN O=C(COC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 ZINC000002985428 556152076 /nfs/dbraw/zinc/15/20/76/556152076.db2.gz XMUFAFDANQPOEZ-UHFFFAOYSA-N 0 0 442.252 4.998 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1cccc(C)c1)CC2 ZINC000003006553 556156733 /nfs/dbraw/zinc/15/67/33/556156733.db2.gz YWTHFGIMDXJZQS-HSZRJFAPSA-N 0 0 435.495 4.970 50 0 IJAARN Cc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008385328 556161130 /nfs/dbraw/zinc/16/11/30/556161130.db2.gz DPLPPLZBRXZILW-MRXNPFEDSA-N 0 0 433.982 4.693 50 0 IJAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000008400463 556166229 /nfs/dbraw/zinc/16/62/29/556166229.db2.gz QEHUTJISNCCAGU-WBVHZDCISA-N 0 0 435.837 4.522 50 0 IJAARN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc21 ZINC000008439923 556176140 /nfs/dbraw/zinc/17/61/40/556176140.db2.gz QBEBWLVKRWQKKY-UHFFFAOYSA-N 0 0 433.485 4.980 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008443756 556178421 /nfs/dbraw/zinc/17/84/21/556178421.db2.gz WMUPALIDPDIEPM-DULPIHNMSA-N 0 0 426.538 4.909 50 0 IJAARN CC[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454317 556185039 /nfs/dbraw/zinc/18/50/39/556185039.db2.gz VSGHKYNDRFWKGI-FOUOPYPESA-N 0 0 433.228 4.994 50 0 IJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Br)c1)C1CCN3CC1 ZINC000008590912 556189008 /nfs/dbraw/zinc/18/90/08/556189008.db2.gz GYTTVZAIJDBNAT-UHFFFAOYSA-N 0 0 429.343 4.591 50 0 IJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCCC2)cc1 ZINC000008603401 556191027 /nfs/dbraw/zinc/19/10/27/556191027.db2.gz FSRPGXPIQAPNGK-JOCHJYFZSA-N 0 0 435.524 4.502 50 0 IJAARN Cc1nnc(Sc2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)s1 ZINC000008816798 556218042 /nfs/dbraw/zinc/21/80/42/556218042.db2.gz OWBNYASVVDYHHD-UHFFFAOYSA-N 0 0 429.481 4.948 50 0 IJAARN O=c1c2cc(Br)cc(Br)c2ncn1Cc1ccc(Cl)cc1 ZINC000008952370 556236194 /nfs/dbraw/zinc/23/61/94/556236194.db2.gz OQPYUXZTCWONLW-UHFFFAOYSA-N 0 0 428.511 4.623 50 0 IJAARN COCCNC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000009045810 556242866 /nfs/dbraw/zinc/24/28/66/556242866.db2.gz KKYFCOQKNCJMOP-UHFFFAOYSA-N 0 0 433.504 4.827 50 0 biogenic IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009161438 556249855 /nfs/dbraw/zinc/24/98/55/556249855.db2.gz WTYFUZZYLUJYRH-OAQYLSRUSA-N 0 0 432.863 4.908 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1C ZINC000009189604 556252629 /nfs/dbraw/zinc/25/26/29/556252629.db2.gz FOUOTXZPRCJRTP-FQEVSTJZSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN CCc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000009225699 556259542 /nfs/dbraw/zinc/25/95/42/556259542.db2.gz MJAFCZOAVKZSGC-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)N1c1ccc(F)c(F)c1 ZINC000009225804 556260072 /nfs/dbraw/zinc/26/00/72/556260072.db2.gz XWPTXFBOPMZZPQ-HSZRJFAPSA-N 0 0 440.446 4.584 50 0 IJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000009310025 556278878 /nfs/dbraw/zinc/27/88/78/556278878.db2.gz JFOORLYIFZDHGL-HSZRJFAPSA-N 0 0 436.533 4.552 50 0 IJAARN COc1cccc(-c2nc(C)c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)s2)c1 ZINC000013689976 556279341 /nfs/dbraw/zinc/27/93/41/556279341.db2.gz FEACYEBMIRDVSQ-UHFFFAOYSA-N 0 0 442.968 4.904 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@@H]2C(F)(F)F ZINC000009435249 556291507 /nfs/dbraw/zinc/29/15/07/556291507.db2.gz HUAPZXHZEINKAL-AYOQOUSVSA-N 0 0 436.478 4.957 50 0 IJAARN COc1ccc(NC(=O)c2cnc3nc(SCc4ccc(Cl)cc4)nn3c2C)cc1 ZINC000009435745 556291915 /nfs/dbraw/zinc/29/19/15/556291915.db2.gz YHHHSGYPIPXREQ-UHFFFAOYSA-N 0 0 439.928 4.639 50 0 IJAARN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccnc3)sc2c1 ZINC000009446178 556292535 /nfs/dbraw/zinc/29/25/35/556292535.db2.gz VEKWGBDWTPBGMT-HXUWFJFHSA-N 0 0 441.468 4.556 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3)n2Cc2ccco2)cc1 ZINC000009479985 556293896 /nfs/dbraw/zinc/29/38/96/556293896.db2.gz YNKNNCCMSZKNSH-UHFFFAOYSA-N 0 0 449.532 4.790 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013730014 556294754 /nfs/dbraw/zinc/29/47/54/556294754.db2.gz UNWHEQFYCDNYJU-UHFFFAOYSA-N 0 0 438.505 4.733 50 0 IJAARN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc3ccccc32)C1=O ZINC000013732963 556296513 /nfs/dbraw/zinc/29/65/13/556296513.db2.gz UHNQPWPDJDOCTQ-RUZDIDTESA-N 0 0 434.499 4.801 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Sc1nc2ccccc2s1)C(F)(F)F ZINC000013756468 556300778 /nfs/dbraw/zinc/30/07/78/556300778.db2.gz QTTIOZYHRKJWEQ-GOSISDBHSA-N 0 0 440.468 4.640 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000009600915 556302193 /nfs/dbraw/zinc/30/21/93/556302193.db2.gz IVRNLXCFEPCVLV-FQEVSTJZSA-N 0 0 440.525 4.657 50 0 IJAARN CCCCc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 ZINC000009601317 556302450 /nfs/dbraw/zinc/30/24/50/556302450.db2.gz QUJSVZBXDVZUJL-UHFFFAOYSA-N 0 0 438.334 4.761 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000013770355 556304879 /nfs/dbraw/zinc/30/48/79/556304879.db2.gz JXJRNLZSYILYNO-BFUOFWGJSA-N 0 0 430.287 4.824 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000013811566 556312484 /nfs/dbraw/zinc/31/24/84/556312484.db2.gz JSWPRIAHPPABAV-ZCYQVOJMSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000009850353 556313847 /nfs/dbraw/zinc/31/38/47/556313847.db2.gz HZZGCLHFDDZKDR-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)COc1ccc(C)cc1 ZINC000009892166 556315236 /nfs/dbraw/zinc/31/52/36/556315236.db2.gz OHBHMGNIARUZOU-UHFFFAOYSA-N 0 0 447.516 4.704 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)c1 ZINC000009892307 556315312 /nfs/dbraw/zinc/31/53/12/556315312.db2.gz KUVYGJYQTJQBKW-JOCHJYFZSA-N 0 0 449.457 4.639 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2cc(C)ccc2C)c2ccccc23)cc1 ZINC000009908863 556316359 /nfs/dbraw/zinc/31/63/59/556316359.db2.gz NSKXYFBDBBVMII-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934268 556317944 /nfs/dbraw/zinc/31/79/44/556317944.db2.gz YTRRCIDMLJRNMH-HSZRJFAPSA-N 0 0 445.494 4.754 50 0 IJAARN COc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000013856487 556321156 /nfs/dbraw/zinc/32/11/56/556321156.db2.gz KQBMJCOIXGFHFI-AREMUKBSSA-N 0 0 446.572 4.742 50 0 IJAARN COCCn1c2ccc(Cl)cc2nc1SCc1noc(-c2ccc(OC)cc2)n1 ZINC000032754545 556323659 /nfs/dbraw/zinc/32/36/59/556323659.db2.gz XIVPLVWNJWVPST-UHFFFAOYSA-N 0 0 430.917 4.687 50 0 IJAARN O=C(c1cccc(COc2ccc3ccccc3c2)c1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000013881960 556326617 /nfs/dbraw/zinc/32/66/17/556326617.db2.gz FGFLFCCTIZVGHF-QHCPKHFHSA-N 0 0 446.400 4.840 50 0 IJAARN O=c1oc2ccccc2n1CCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000032777002 556327263 /nfs/dbraw/zinc/32/72/63/556327263.db2.gz RUFZYNOWVKBJDT-UHFFFAOYSA-N 0 0 449.919 4.739 50 0 IJAARN CCCCN(C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCCC)C2)cc1)c1ccccc1 ZINC000010462301 556335537 /nfs/dbraw/zinc/33/55/37/556335537.db2.gz ZRSUSLWMFKXCKD-OAQYLSRUSA-N 0 0 435.568 4.721 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1=O ZINC000010461866 556335559 /nfs/dbraw/zinc/33/55/59/556335559.db2.gz XAOXFEDFYZCSER-INIZCTEOSA-N 0 0 447.457 4.545 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1C ZINC000013944226 556341263 /nfs/dbraw/zinc/34/12/63/556341263.db2.gz MJQFSBZRYHIGCW-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000011582351 556342316 /nfs/dbraw/zinc/34/23/16/556342316.db2.gz GNQZNWLVJIDMTL-NJDAHSKKSA-N 0 0 449.304 4.500 50 0 IJAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000011661363 556343111 /nfs/dbraw/zinc/34/31/11/556343111.db2.gz SCMNDEDDFHWURP-UHFFFAOYSA-N 0 0 430.961 4.696 50 0 IJAARN O=C(COc1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000013946306 556343712 /nfs/dbraw/zinc/34/37/12/556343712.db2.gz SUGAPXKXSUKJKI-UHFFFAOYSA-N 0 0 445.500 4.577 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccn2)c(F)c1 ZINC000011664947 556345566 /nfs/dbraw/zinc/34/55/66/556345566.db2.gz VMQONZQWQLRDBW-VWLOTQADSA-N 0 0 447.535 4.977 50 0 IJAARN O=C(/C=C\c1ccc(OC(F)F)cc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013959868 556346712 /nfs/dbraw/zinc/34/67/12/556346712.db2.gz NBEXSIZGMACGKW-YWEYNIOJSA-N 0 0 441.305 4.952 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(F)ccc4F)cc3o2)cc1OC ZINC000011708107 556347675 /nfs/dbraw/zinc/34/76/75/556347675.db2.gz OISCHCSPOMWMKT-UHFFFAOYSA-N 0 0 438.430 4.644 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2I)cc1OC1CCCC1 ZINC000032787616 556350264 /nfs/dbraw/zinc/35/02/64/556350264.db2.gz SZCZGYOJQNOHPD-UHFFFAOYSA-N 0 0 437.277 4.874 50 0 IJAARN CC(=O)c1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)cs1 ZINC000011772733 556350553 /nfs/dbraw/zinc/35/05/53/556350553.db2.gz MIUVNEGIQAZKSS-LJQANCHMSA-N 0 0 425.529 4.648 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000014013585 556355107 /nfs/dbraw/zinc/35/51/07/556355107.db2.gz AOWLWVQSVNNLSB-STQMWFEESA-N 0 0 431.587 4.820 50 0 IJAARN CCCCOc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)n2CC)cc1 ZINC000014086964 556364748 /nfs/dbraw/zinc/36/47/48/556364748.db2.gz NFWVHYDNJVRGBF-UHFFFAOYSA-N 0 0 438.597 4.595 50 0 IJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840880 556365172 /nfs/dbraw/zinc/36/51/72/556365172.db2.gz PGRPDNSNTAKYPH-OAQYLSRUSA-N 0 0 449.547 4.969 50 0 IJAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)no1 ZINC000011873304 556369869 /nfs/dbraw/zinc/36/98/69/556369869.db2.gz YYTVFYPLLONJAD-IBGZPJMESA-N 0 0 427.888 4.678 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCCc4ccccc43)s2)c1 ZINC000032573843 556374002 /nfs/dbraw/zinc/37/40/02/556374002.db2.gz YCCIHGYJCMHLDK-LJQANCHMSA-N 0 0 440.594 4.918 50 0 IJAARN COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(OC)cc1Cl ZINC000014141442 556376455 /nfs/dbraw/zinc/37/64/55/556376455.db2.gz XGUOWTDFXMXFKZ-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN Cc1cccc(-c2nnc([C@@H](C)Sc3nc(CN4CCOCC4)nc4ccccc43)o2)c1 ZINC000014142261 556377192 /nfs/dbraw/zinc/37/71/92/556377192.db2.gz UUBSEIKODANMDK-QGZVFWFLSA-N 0 0 447.564 4.674 50 0 IJAARN CC(=O)c1ccc(OCc2cc(C(=O)N[C@H](c3ccncc3)c3ccc(F)cc3)no2)cc1 ZINC000011937331 556379158 /nfs/dbraw/zinc/37/91/58/556379158.db2.gz OKFGJUARVYLHAS-DEOSSOPVSA-N 0 0 445.450 4.510 50 0 IJAARN COc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000014166448 556379723 /nfs/dbraw/zinc/37/97/23/556379723.db2.gz LVOLCKZKEIAEQK-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)n[nH]2)cc1 ZINC000014166056 556379771 /nfs/dbraw/zinc/37/97/71/556379771.db2.gz ZFXQTHPLZDPNAI-KRWDZBQOSA-N 0 0 449.605 4.888 50 0 IJAARN O=C(c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000014166299 556379794 /nfs/dbraw/zinc/37/97/94/556379794.db2.gz ROXACXOZHSCBAW-UHFFFAOYSA-N 0 0 434.561 4.708 50 0 IJAARN Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cc12 ZINC000014170669 556381422 /nfs/dbraw/zinc/38/14/22/556381422.db2.gz MXXLCEYJUKPFKQ-UHFFFAOYSA-N 0 0 438.597 4.618 50 0 IJAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@H](C)C/C3=C\c2ccccc2)CC1 ZINC000014210271 556393203 /nfs/dbraw/zinc/39/32/03/556393203.db2.gz ANDQAIGGQILDPC-ODUYVQIQSA-N 0 0 439.559 4.662 50 0 IJAARN Cc1cnc(C)c(-c2cc3c(c(F)c2)O[C@H](CNC(=O)C24CC5CC(CC(C5)C2)C4)C3)n1 ZINC000012055186 556393834 /nfs/dbraw/zinc/39/38/34/556393834.db2.gz JTDHOJBQNGKSBN-DHMAKMBKSA-N 0 0 435.543 4.536 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000012055982 556394236 /nfs/dbraw/zinc/39/42/36/556394236.db2.gz PSMWLDKRHLSLKV-GOSISDBHSA-N 0 0 425.479 4.702 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000012062152 556395528 /nfs/dbraw/zinc/39/55/28/556395528.db2.gz KFTKVKLWDUZYNY-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN O=C(CSCc1ccc(Cl)s1)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000014233549 556398915 /nfs/dbraw/zinc/39/89/15/556398915.db2.gz JILLAVXQVGIDNY-UHFFFAOYSA-N 0 0 440.015 4.720 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4OC)cc3)n2)cc1 ZINC000032578733 556405566 /nfs/dbraw/zinc/40/55/66/556405566.db2.gz KITKNIHSSNEDHW-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc(F)cc3F)n2)cc1 ZINC000032579131 556406362 /nfs/dbraw/zinc/40/63/62/556406362.db2.gz SRZXYIVCTLLLSW-UHFFFAOYSA-N 0 0 435.430 4.832 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3N3CCCC3=O)s2)cs1 ZINC000014246653 556406602 /nfs/dbraw/zinc/40/66/02/556406602.db2.gz PDRPHMSIHIQYJL-UHFFFAOYSA-N 0 0 431.970 4.890 50 0 IJAARN COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccccc2OC)cc1 ZINC000014250379 556408486 /nfs/dbraw/zinc/40/84/86/556408486.db2.gz RZNHHAAIDQQOOS-UHFFFAOYSA-N 0 0 441.867 4.945 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3ncc(Cc4ccc(Br)cc4)s3)ccc21 ZINC000014250926 556409044 /nfs/dbraw/zinc/40/90/44/556409044.db2.gz GHJSHXASNGCWQR-UHFFFAOYSA-N 0 0 442.342 4.513 50 0 IJAARN O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F)N1CCc2ccccc2C1 ZINC000012846054 556412890 /nfs/dbraw/zinc/41/28/90/556412890.db2.gz VMXZOIDJCAZIOO-UHFFFAOYSA-N 0 0 440.400 4.753 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000032672097 556414868 /nfs/dbraw/zinc/41/48/68/556414868.db2.gz HOKCJZQCEZVDOQ-ZDUSSCGKSA-N 0 0 442.547 4.923 50 0 IJAARN COCCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2cc(Cl)ccc21 ZINC000032672276 556415098 /nfs/dbraw/zinc/41/50/98/556415098.db2.gz YGYZWTGCXPXYIZ-UHFFFAOYSA-N 0 0 444.409 4.802 50 0 IJAARN C[C@]1(NC(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CCS(=O)(=O)C1 ZINC000032674418 556415319 /nfs/dbraw/zinc/41/53/19/556415319.db2.gz IVFSYHNEZFLICK-IBGZPJMESA-N 0 0 444.405 4.593 50 0 IJAARN CC(C)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C2CC2)cc1 ZINC000012974805 556420933 /nfs/dbraw/zinc/42/09/33/556420933.db2.gz WZDZZLQTKBEHJC-UHFFFAOYSA-N 0 0 434.989 4.519 50 0 IJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012975313 556421107 /nfs/dbraw/zinc/42/11/07/556421107.db2.gz LSXUZQIELDFCBR-ZDUSSCGKSA-N 0 0 426.485 4.883 50 0 IJAARN COc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)n1 ZINC000012982868 556425429 /nfs/dbraw/zinc/42/54/29/556425429.db2.gz ZLDYNYJYQJCAAB-UHFFFAOYSA-N 0 0 444.516 4.849 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccccc1F ZINC000032842314 556427917 /nfs/dbraw/zinc/42/79/17/556427917.db2.gz VXFJHLSSEDZSJL-QFIPXVFZSA-N 0 0 449.507 4.578 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1c(C)cccc1C)CC2 ZINC000012989446 556428115 /nfs/dbraw/zinc/42/81/15/556428115.db2.gz XXNYTYCWHSDGKE-RUZDIDTESA-N 0 0 436.577 4.968 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000012991758 556428694 /nfs/dbraw/zinc/42/86/94/556428694.db2.gz XBNWNCMIYGYDQC-LBPRGKRZSA-N 0 0 435.387 4.655 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000032843953 556428781 /nfs/dbraw/zinc/42/87/81/556428781.db2.gz ZVJIBDSJRCJDIU-UHFFFAOYSA-N 0 0 435.549 4.775 50 0 IJAARN C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(-n2ccnc2)cc1 ZINC000032685512 556429758 /nfs/dbraw/zinc/42/97/58/556429758.db2.gz AUKOPWWMQNKHCZ-KRWDZBQOSA-N 0 0 428.467 4.755 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cnc12 ZINC000032847797 556430263 /nfs/dbraw/zinc/43/02/63/556430263.db2.gz JCOPGSBKDZPQHV-UHFFFAOYSA-N 0 0 444.969 4.962 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)c2ccccc12 ZINC000012995034 556430273 /nfs/dbraw/zinc/43/02/73/556430273.db2.gz HYRDKNNNUHZJSB-SFHVURJKSA-N 0 0 436.939 4.670 50 0 IJAARN Cc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000013002340 556433797 /nfs/dbraw/zinc/43/37/97/556433797.db2.gz VGTXOEHUMGDOTD-QGZVFWFLSA-N 0 0 426.925 4.527 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OCC ZINC000013002546 556434183 /nfs/dbraw/zinc/43/41/83/556434183.db2.gz CJULPMPJKFQHHM-INIZCTEOSA-N 0 0 446.594 4.662 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4OC(F)F)c(=O)c23)cc1 ZINC000013003765 556434441 /nfs/dbraw/zinc/43/44/41/556434441.db2.gz HJAJFLYAJVWZFE-UHFFFAOYSA-N 0 0 441.459 4.674 50 0 IJAARN O=C(CSc1nc2ncccn2n1)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000014707895 556435120 /nfs/dbraw/zinc/43/51/20/556435120.db2.gz VQVDWLRHHOUWCD-UHFFFAOYSA-N 0 0 425.311 4.529 50 0 IJAARN C[C@@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1C ZINC000013010691 556435639 /nfs/dbraw/zinc/43/56/39/556435639.db2.gz SYWUQTHPHPWHKI-MSOLQXFVSA-N 0 0 439.515 4.650 50 0 IJAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCC(C)CC1 ZINC000014736001 556437794 /nfs/dbraw/zinc/43/77/94/556437794.db2.gz HZRXRIYDISOIEO-UHFFFAOYSA-N 0 0 432.520 4.738 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1Br ZINC000013018053 556438935 /nfs/dbraw/zinc/43/89/35/556438935.db2.gz QGINMUWSMYBHAU-ZDUSSCGKSA-N 0 0 441.163 4.728 50 0 IJAARN Cc1cc(C)c(NC(=O)CCCS[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000013023875 556440046 /nfs/dbraw/zinc/44/00/46/556440046.db2.gz HLTCSMGDDDOHQO-GOSISDBHSA-N 0 0 442.581 4.862 50 0 IJAARN O=c1c2ccccc2nc(S[C@@H]2CCCCCC2=O)n1-c1ccc(OC(F)F)cc1 ZINC000028186705 556444599 /nfs/dbraw/zinc/44/45/99/556444599.db2.gz NAMDINFSZIEAQM-LJQANCHMSA-N 0 0 430.476 4.981 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 ZINC000028241811 556446502 /nfs/dbraw/zinc/44/65/02/556446502.db2.gz IHLSWHTURZVFGN-UHFFFAOYSA-N 0 0 447.482 4.800 50 0 IJAARN CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)c(C)cc2o1)c1ccccc1Cl ZINC000028288997 556448834 /nfs/dbraw/zinc/44/88/34/556448834.db2.gz XKKAXRQXJANOTI-FQEVSTJZSA-N 0 0 426.944 4.876 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1Cl)CC2 ZINC000013058264 556449860 /nfs/dbraw/zinc/44/98/60/556449860.db2.gz MMKUJTLBRBQKJR-VWLOTQADSA-N 0 0 436.939 4.943 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028291639 556450050 /nfs/dbraw/zinc/45/00/50/556450050.db2.gz HVGSIGXYJOVXIY-QFIPXVFZSA-N 0 0 438.543 4.981 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(F)cc1F)CC2 ZINC000013061523 556450854 /nfs/dbraw/zinc/45/08/54/556450854.db2.gz DSJGINBYEPUAJQ-HSZRJFAPSA-N 0 0 444.503 4.630 50 0 IJAARN COc1cccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)c1 ZINC000028293341 556451135 /nfs/dbraw/zinc/45/11/35/556451135.db2.gz ZQGAYAZAQJOOQK-UHFFFAOYSA-N 0 0 448.317 4.931 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000013063538 556452025 /nfs/dbraw/zinc/45/20/25/556452025.db2.gz KJQGKCIDFFJGAL-IRXDYDNUSA-N 0 0 443.927 4.548 50 0 IJAARN COc1cc(Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)c(OC)cc1Cl ZINC000013076020 556455636 /nfs/dbraw/zinc/45/56/36/556455636.db2.gz AXXXOUIELXXICN-UHFFFAOYSA-N 0 0 448.976 4.555 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@H]1CCSc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000013096904 556457547 /nfs/dbraw/zinc/45/75/47/556457547.db2.gz COSRVEYEUMZMAU-FCHUYYIVSA-N 0 0 447.560 4.932 50 0 IJAARN Cc1cccc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000028697069 556459236 /nfs/dbraw/zinc/45/92/36/556459236.db2.gz HOIABNARTOVHMZ-UHFFFAOYSA-N 0 0 440.425 4.566 50 0 IJAARN C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nnc(-c2ccccc2)o1 ZINC000028806868 556461286 /nfs/dbraw/zinc/46/12/86/556461286.db2.gz ONDVABNTZPLDMT-QGZVFWFLSA-N 0 0 437.459 4.902 50 0 IJAARN Cc1c(C(=O)Nc2nc3ccccc3s2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000028839248 556462445 /nfs/dbraw/zinc/46/24/45/556462445.db2.gz MOCHXRLFLUFZFL-UHFFFAOYSA-N 0 0 432.530 4.746 50 0 IJAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCCC(c1ccccc1)c1ccccc1 ZINC000028876041 556462725 /nfs/dbraw/zinc/46/27/25/556462725.db2.gz VYLDSFQPXZXMJS-UHFFFAOYSA-N 0 0 430.592 4.657 50 0 IJAARN O=C([C@H]1CCCN1C(=O)C1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000072281701 556463112 /nfs/dbraw/zinc/46/31/12/556463112.db2.gz ZZTYSNWUNRBIOW-HXUWFJFHSA-N 0 0 425.598 4.574 50 0 IJAARN Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000028916482 556463845 /nfs/dbraw/zinc/46/38/45/556463845.db2.gz ZLAVADDYAMQHHR-NRFANRHFSA-N 0 0 448.526 4.640 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000013112681 556465536 /nfs/dbraw/zinc/46/55/36/556465536.db2.gz ATFPEHVNYCAPPF-UHFFFAOYSA-N 0 0 433.509 4.623 50 0 IJAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C1=O ZINC000013117668 556470442 /nfs/dbraw/zinc/47/04/42/556470442.db2.gz ZNUXNDFKSVXGTH-HSZRJFAPSA-N 0 0 432.867 4.510 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117848 556470730 /nfs/dbraw/zinc/47/07/30/556470730.db2.gz NZJXLEMLIWNYLD-KRWDZBQOSA-N 0 0 431.533 4.584 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N4CCC[C@@H]4c4cccnc4)c(=O)c23)cc1 ZINC000029300761 556471886 /nfs/dbraw/zinc/47/18/86/556471886.db2.gz FTLDNZCQALHFKU-OAQYLSRUSA-N 0 0 444.560 4.582 50 0 IJAARN CC(C)(C)c1ccc(OCc2nnc(SCc3ncc(-c4ccccc4)o3)n2N)cc1 ZINC000013121415 556474172 /nfs/dbraw/zinc/47/41/72/556474172.db2.gz WHGQSGVKAZPUNW-UHFFFAOYSA-N 0 0 435.553 4.816 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000013127183 556475740 /nfs/dbraw/zinc/47/57/40/556475740.db2.gz TVHKAQHCZSRLDN-MOPGFXCFSA-N 0 0 449.898 4.932 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013127659 556476493 /nfs/dbraw/zinc/47/64/93/556476493.db2.gz MQDOLISMGQJILF-NEPJUHHUSA-N 0 0 443.550 4.771 50 0 IJAARN Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000014999662 556479462 /nfs/dbraw/zinc/47/94/62/556479462.db2.gz FMQFDRTWXSYDDX-UHFFFAOYSA-N 0 0 438.553 4.747 50 0 IJAARN CC(C)(C)c1ccc(C(=O)O[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000013131798 556480707 /nfs/dbraw/zinc/48/07/07/556480707.db2.gz CRXUTYKGPPFVNY-BJKOFHAPSA-N 0 0 449.572 4.785 50 0 IJAARN Cc1[nH]c2ccccc2c1CC(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000015003932 556480886 /nfs/dbraw/zinc/48/08/86/556480886.db2.gz IJQIGFDPFMQBDC-RUZDIDTESA-N 0 0 445.588 4.832 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 ZINC000013132129 556481046 /nfs/dbraw/zinc/48/10/46/556481046.db2.gz QLXWNRJVILGAKL-UHFFFAOYSA-N 0 0 446.594 4.881 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000011057926 556481505 /nfs/dbraw/zinc/48/15/05/556481505.db2.gz CTNDJQAXPWKHBM-UHFFFAOYSA-N 0 0 427.382 4.601 50 0 IJAARN Cc1cc(C)n2nc(SCCCc3nc(-c4cccc(C(F)(F)F)c4)no3)nc2n1 ZINC000032873913 556481485 /nfs/dbraw/zinc/48/14/85/556481485.db2.gz DWGNEIJRSTYZSW-UHFFFAOYSA-N 0 0 434.447 4.535 50 0 IJAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000013141172 556486363 /nfs/dbraw/zinc/48/63/63/556486363.db2.gz ORYRAMZTHNTFCP-QFIPXVFZSA-N 0 0 442.302 4.552 50 0 IJAARN c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)c1 ZINC000030025418 556489612 /nfs/dbraw/zinc/48/96/12/556489612.db2.gz MZVIODYJPJIIGZ-GFCCVEGCSA-N 0 0 431.568 4.589 50 0 IJAARN O=C(CSc1ccccc1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000013148719 556490282 /nfs/dbraw/zinc/49/02/82/556490282.db2.gz INYDNMJWXUWPND-UHFFFAOYSA-N 0 0 439.002 4.636 50 0 IJAARN O=C(Cc1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015062390 556490557 /nfs/dbraw/zinc/49/05/57/556490557.db2.gz CQDYHNNFFJIMOV-HSZRJFAPSA-N 0 0 430.508 4.733 50 0 IJAARN O=C(c1ccc[nH]c1=S)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180806 556491390 /nfs/dbraw/zinc/49/13/90/556491390.db2.gz BJUPRABMMXFOEG-UHFFFAOYSA-N 0 0 429.998 4.710 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000030300176 556492701 /nfs/dbraw/zinc/49/27/01/556492701.db2.gz BIDXFNHXIPBNHH-MRXNPFEDSA-N 0 0 436.499 4.810 50 0 IJAARN COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000015066152 556492770 /nfs/dbraw/zinc/49/27/70/556492770.db2.gz XPCGYVGLWJFHEU-MRXNPFEDSA-N 0 0 430.932 4.628 50 0 IJAARN COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000015066151 556492785 /nfs/dbraw/zinc/49/27/85/556492785.db2.gz XPCGYVGLWJFHEU-INIZCTEOSA-N 0 0 430.932 4.628 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nncn1-c1ccccc1OC ZINC000030620592 556500154 /nfs/dbraw/zinc/50/01/54/556500154.db2.gz UROOPPWSPDEJJK-UHFFFAOYSA-N 0 0 434.521 4.602 50 0 IJAARN CCCCc1[nH]c(SCC(=O)Nc2nnc(SCc3ccccc3)s2)nc1C ZINC000015085653 556502229 /nfs/dbraw/zinc/50/22/29/556502229.db2.gz GRJVZCZWIGWNLU-UHFFFAOYSA-N 0 0 433.628 4.935 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000013465198 556506837 /nfs/dbraw/zinc/50/68/37/556506837.db2.gz XVRVKEMAWIXRBR-UHFFFAOYSA-N 0 0 426.319 4.927 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000032894994 556514244 /nfs/dbraw/zinc/51/42/44/556514244.db2.gz WAHKHLYYBOFAPY-IBGZPJMESA-N 0 0 434.561 4.877 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC ZINC000032895150 556514647 /nfs/dbraw/zinc/51/46/47/556514647.db2.gz RDOUIYUCGVVACT-KDOFPFPSSA-N 0 0 434.330 4.597 50 0 IJAARN COc1ccc([C@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc2)cc1 ZINC000032718925 556518350 /nfs/dbraw/zinc/51/83/50/556518350.db2.gz STMQRPQNWDCDIG-HSZRJFAPSA-N 0 0 431.561 4.751 50 0 IJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000032891510 556519264 /nfs/dbraw/zinc/51/92/64/556519264.db2.gz SXORDELTYBSVDB-UHFFFAOYSA-N 0 0 427.957 4.904 50 0 IJAARN C[C@]1(Cc2ccccc2)OC(=O)N2CCN3C(=O)O[C@](C)(Cc4ccccc4)[C@@]3(C)C=C21 ZINC000015319092 556519893 /nfs/dbraw/zinc/51/98/93/556519893.db2.gz CFNIYDDQVPAUMY-TWJOJJKGSA-N 0 0 432.520 4.550 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000072296584 556522221 /nfs/dbraw/zinc/52/22/21/556522221.db2.gz IFYFTVLCINHTJA-QHCPKHFHSA-N 0 0 431.467 4.646 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)N3C[C@H](C)CN(Cc4ccccc4)c4ccccc43)ccc21 ZINC000072297031 556522514 /nfs/dbraw/zinc/52/25/14/556522514.db2.gz AFUWKQTYMODCBN-HXUWFJFHSA-N 0 0 439.559 4.899 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc(N(C)C(=O)COc3cccc(C)c3)c(F)c2)c1 ZINC000072300841 556523608 /nfs/dbraw/zinc/52/36/08/556523608.db2.gz RDVXCUCGLBCMDD-UHFFFAOYSA-N 0 0 436.483 4.502 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3cccs3)C2=O)c1 ZINC000015412692 556525471 /nfs/dbraw/zinc/52/54/71/556525471.db2.gz HXGRJANTLJPJBJ-NRFANRHFSA-N 0 0 442.924 4.540 50 0 IJAARN COc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015412923 556525688 /nfs/dbraw/zinc/52/56/88/556525688.db2.gz MUWDZUUOVWYATK-AREMUKBSSA-N 0 0 444.531 4.750 50 0 IJAARN COc1ccc(-c2nc(S[C@H](CC(=O)NCc3ccco3)c3cccs3)n[nH]2)cc1 ZINC000015441377 556528515 /nfs/dbraw/zinc/52/85/15/556528515.db2.gz ZILHBXDQMODRKC-GOSISDBHSA-N 0 0 440.550 4.675 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5ccccc5)oc4C)C3=O)ccc2c1 ZINC000032899379 556530708 /nfs/dbraw/zinc/53/07/08/556530708.db2.gz HALBIFXOIDKZJU-AREMUKBSSA-N 0 0 441.487 4.779 50 0 IJAARN O=C1Nc2ccccc2/C1=C/c1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 ZINC000013598618 556532677 /nfs/dbraw/zinc/53/26/77/556532677.db2.gz RVSNFPZNDQDBQM-LGMDPLHJSA-N 0 0 444.288 4.641 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(Cl)cc12 ZINC000013610101 556534298 /nfs/dbraw/zinc/53/42/98/556534298.db2.gz ZTKJKXSKIHMIPG-UHFFFAOYSA-N 0 0 445.302 4.627 50 0 IJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000015574995 556535525 /nfs/dbraw/zinc/53/55/25/556535525.db2.gz KHKIMAMHXXRYJP-IRXDYDNUSA-N 0 0 434.989 4.594 50 0 IJAARN O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000015658955 556541258 /nfs/dbraw/zinc/54/12/58/556541258.db2.gz MPWTVGUJXDCESX-INIZCTEOSA-N 0 0 447.638 4.604 50 0 IJAARN CCn1cc(Br)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000013640251 556541865 /nfs/dbraw/zinc/54/18/65/556541865.db2.gz JPWBTLJGAUVFPH-UHFFFAOYSA-N 0 0 435.391 4.842 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(OC)cc2)cc1 ZINC000013661606 556546954 /nfs/dbraw/zinc/54/69/54/556546954.db2.gz RCEOZGGTMASTDL-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)s1 ZINC000032724081 556548001 /nfs/dbraw/zinc/54/80/01/556548001.db2.gz LSAYWTSOWMILMY-UHFFFAOYSA-N 0 0 433.558 4.969 50 0 IJAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000015769099 556549728 /nfs/dbraw/zinc/54/97/28/556549728.db2.gz NWRHHBLUUVAKNT-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000032997783 556551938 /nfs/dbraw/zinc/55/19/38/556551938.db2.gz CMKJEYMFJXWKEG-QFIPXVFZSA-N 0 0 435.553 4.832 50 0 IJAARN CCOc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1OCC ZINC000032998443 556552532 /nfs/dbraw/zinc/55/25/32/556552532.db2.gz UDRDYPTZLXGYQJ-UHFFFAOYSA-N 0 0 448.519 4.926 50 0 biogenic IJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000033048642 556553558 /nfs/dbraw/zinc/55/35/58/556553558.db2.gz PXHCHEOIZXDWMX-QGZVFWFLSA-N 0 0 442.244 4.751 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000033115520 556555351 /nfs/dbraw/zinc/55/53/51/556555351.db2.gz WHGSLDWEJXTIJA-UHFFFAOYSA-N 0 0 426.582 4.524 50 0 IJAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCCCOc1ccc(CC)cc1 ZINC000015857198 556558019 /nfs/dbraw/zinc/55/80/19/556558019.db2.gz MIRSLFGILPWBFL-QNGOZBTKSA-N 0 0 427.522 4.820 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)cc1C ZINC000033274671 556558751 /nfs/dbraw/zinc/55/87/51/556558751.db2.gz CJSZLNGACWOXHD-UHFFFAOYSA-N 0 0 440.609 4.831 50 0 IJAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032907901 556563869 /nfs/dbraw/zinc/56/38/69/556563869.db2.gz BWPNKUHSLCOVFM-QGZVFWFLSA-N 0 0 432.480 4.584 50 0 IJAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O ZINC000015922060 556564145 /nfs/dbraw/zinc/56/41/45/556564145.db2.gz SNGYHZGKJRJNMV-HXUWFJFHSA-N 0 0 438.531 4.528 50 0 IJAARN Cc1nn(C)c(=O)c(-c2nc(CN(Cc3ccc(F)cc3)C3CCCCC3)cs2)c1C ZINC000072309047 556568787 /nfs/dbraw/zinc/56/87/87/556568787.db2.gz UFVMGUMUFSYQGF-UHFFFAOYSA-N 0 0 440.588 4.995 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000015974879 556570349 /nfs/dbraw/zinc/57/03/49/556570349.db2.gz NNNGRQPMJFWTBN-MRXNPFEDSA-N 0 0 434.562 4.639 50 0 IJAARN Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@H](C)N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000072310517 556576148 /nfs/dbraw/zinc/57/61/48/556576148.db2.gz VOTRSCPWJDDIOS-NSHDSACASA-N 0 0 439.343 4.826 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C ZINC000016035478 556577450 /nfs/dbraw/zinc/57/74/50/556577450.db2.gz LVLYSEFDFDAHTR-APWZRJJASA-N 0 0 437.569 4.831 50 0 IJAARN Cn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccc(Cl)cc1 ZINC000032910825 556581689 /nfs/dbraw/zinc/58/16/89/556581689.db2.gz SFONOECSOCRMDO-UHFFFAOYSA-N 0 0 439.953 4.650 50 0 IJAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H](C)C1)CCC2 ZINC000016193247 556589016 /nfs/dbraw/zinc/58/90/16/556589016.db2.gz MKVGNWWKDKNZET-MRXNPFEDSA-N 0 0 441.597 4.558 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036083869 556592814 /nfs/dbraw/zinc/59/28/14/556592814.db2.gz WAAIEOTZFVNUOW-XMMPIXPASA-N 0 0 436.552 4.821 50 0 IJAARN COc1ccc(-c2ccc(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1 ZINC000016234861 556593716 /nfs/dbraw/zinc/59/37/16/556593716.db2.gz OHFCHVJEKLSFFF-GOSISDBHSA-N 0 0 430.508 4.688 50 0 IJAARN Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)NCCc4cccs4)C3)nn2)cc1 ZINC000032974820 556596006 /nfs/dbraw/zinc/59/60/06/556596006.db2.gz VNRZBVPHMMAGIL-SFHVURJKSA-N 0 0 438.622 4.573 50 0 IJAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000016269007 556596314 /nfs/dbraw/zinc/59/63/14/556596314.db2.gz PMQJYQDVTOCYHR-CYBMUJFWSA-N 0 0 448.894 4.769 50 0 IJAARN CC(C)(C)n1ncc(I)c1-c1cc(F)c(F)cc1Br ZINC000036377916 556597582 /nfs/dbraw/zinc/59/75/82/556597582.db2.gz XVRPWYKJTPQBKF-UHFFFAOYSA-N 0 0 441.057 4.950 50 0 IJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000032975030 556598067 /nfs/dbraw/zinc/59/80/67/556598067.db2.gz ZIMBBYHKTANXMG-UHFFFAOYSA-N 0 0 425.488 4.517 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)CCc1ccccc1 ZINC000037356041 556601887 /nfs/dbraw/zinc/60/18/87/556601887.db2.gz WMPLCDVJGOMKJH-GOSISDBHSA-N 0 0 436.943 4.592 50 0 IJAARN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000032983825 556602650 /nfs/dbraw/zinc/60/26/50/556602650.db2.gz GOKYZYWTIAZJRB-HBRISMIWSA-N 0 0 441.593 4.978 50 0 IJAARN Cc1cc(Br)c(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)cc1C ZINC000016361637 556602648 /nfs/dbraw/zinc/60/26/48/556602648.db2.gz BWUQVVNETAPDIH-UHFFFAOYSA-N 0 0 431.359 4.506 50 0 IJAARN CCOc1ccc(CCC2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1 ZINC000010612539 556603636 /nfs/dbraw/zinc/60/36/36/556603636.db2.gz LSLQASGNVBPEMS-UHFFFAOYSA-N 0 0 426.582 4.980 50 0 IJAARN O=C(COc1ccc(Nc2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032987970 556608489 /nfs/dbraw/zinc/60/84/89/556608489.db2.gz SKCUFBBUEUIUQQ-HSZRJFAPSA-N 0 0 430.504 4.944 50 0 IJAARN C[C@@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032995192 556610218 /nfs/dbraw/zinc/61/02/18/556610218.db2.gz DEVMNZUUTJIMHQ-CQSZACIVSA-N 0 0 428.945 4.644 50 0 IJAARN CCC(=O)Nc1cccc(C(=O)Nc2cc(-c3cnc4ccccc4n3)ccc2OC)c1 ZINC000016488612 556612093 /nfs/dbraw/zinc/61/20/93/556612093.db2.gz NKIZPGVPRCMVFQ-UHFFFAOYSA-N 0 0 426.476 4.906 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CCCc1nc(-c3ccccc3)no1)CCCC2 ZINC000016683086 556624889 /nfs/dbraw/zinc/62/48/89/556624889.db2.gz MKAHNAFFUGYFCU-UHFFFAOYSA-N 0 0 439.537 4.815 50 0 IJAARN O=C(NC1CCCC1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998885 556626758 /nfs/dbraw/zinc/62/67/58/556626758.db2.gz BUOZRWVEWYHDEX-UHFFFAOYSA-N 0 0 425.941 4.710 50 0 IJAARN Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000039383678 556628517 /nfs/dbraw/zinc/62/85/17/556628517.db2.gz DJDAEUKWYPPOSK-UHFFFAOYSA-N 0 0 444.461 4.534 50 0 IJAARN CC(C)N(C(=O)[C@H](C)Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C)C(C)C ZINC000016731623 556631269 /nfs/dbraw/zinc/63/12/69/556631269.db2.gz CHCBULBJMLNABR-AWEZNQCLSA-N 0 0 447.601 4.927 50 0 IJAARN COc1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2C(C)C)CC1 ZINC000033776853 556632306 /nfs/dbraw/zinc/63/23/06/556632306.db2.gz UKWZFFBKGRKTMC-UHFFFAOYSA-N 0 0 430.552 4.546 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)s1 ZINC000016741981 556635731 /nfs/dbraw/zinc/63/57/31/556635731.db2.gz HDBXLFYSNFYZKJ-GOSISDBHSA-N 0 0 439.443 4.625 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1OCC ZINC000016753899 556638618 /nfs/dbraw/zinc/63/86/18/556638618.db2.gz FKRSTWOXOJLQSZ-INIZCTEOSA-N 0 0 425.485 4.557 50 0 IJAARN COc1ccccc1Cn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000040397599 556639699 /nfs/dbraw/zinc/63/96/99/556639699.db2.gz BPTFDBLUDVOFPE-UHFFFAOYSA-N 0 0 430.895 4.730 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)N1CCSCC1 ZINC000037547092 556641359 /nfs/dbraw/zinc/64/13/59/556641359.db2.gz BXIWYIDZNIOMFN-UHFFFAOYSA-N 0 0 439.556 4.929 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)NCCc1ccccc1 ZINC000037556392 556644940 /nfs/dbraw/zinc/64/49/40/556644940.db2.gz YPZCVNJRJLAOJE-UHFFFAOYSA-N 0 0 430.523 4.670 50 0 IJAARN COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000016838771 556645555 /nfs/dbraw/zinc/64/55/55/556645555.db2.gz INXBQOYHTMMMFO-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)NCC1CC1 ZINC000037600403 556645898 /nfs/dbraw/zinc/64/58/98/556645898.db2.gz BCSMMPGKCKDRQL-UHFFFAOYSA-N 0 0 434.486 4.881 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C ZINC000016840933 556645829 /nfs/dbraw/zinc/64/58/29/556645829.db2.gz BLPBQWMCZWXPDS-UHFFFAOYSA-N 0 0 438.940 4.621 50 0 IJAARN CSc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)n2)cc1 ZINC000016842707 556646289 /nfs/dbraw/zinc/64/62/89/556646289.db2.gz ONFCSORZUFPCIE-UHFFFAOYSA-N 0 0 449.923 4.637 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000016845010 556646636 /nfs/dbraw/zinc/64/66/36/556646636.db2.gz CRGUUSJPICYMIO-UHFFFAOYSA-N 0 0 425.510 4.532 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602385 556646688 /nfs/dbraw/zinc/64/66/88/556646688.db2.gz GOILSACNRANAOR-SIBVEZHUSA-N 0 0 446.547 4.556 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 ZINC000016846015 556646865 /nfs/dbraw/zinc/64/68/65/556646865.db2.gz DGRKDPNYKOMENF-UHFFFAOYSA-N 0 0 449.601 4.687 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1F ZINC000016846613 556647409 /nfs/dbraw/zinc/64/74/09/556647409.db2.gz WRZOPHWBJOKQQN-UHFFFAOYSA-N 0 0 447.488 4.877 50 0 IJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)NCCc3ccccc3)c3ccccc3S2)cc1 ZINC000016953500 556650184 /nfs/dbraw/zinc/65/01/84/556650184.db2.gz WJGMWANNZMTXSV-XMMPIXPASA-N 0 0 446.572 4.624 50 0 IJAARN CN(C(=O)CSc1nnc(-c2ccccc2F)n1C)C(c1ccccc1)c1ccccc1 ZINC000010615747 556651528 /nfs/dbraw/zinc/65/15/28/556651528.db2.gz PLQNWRCYDBMQDY-UHFFFAOYSA-N 0 0 446.551 4.961 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(OC)c2)cc1 ZINC000011758395 556652634 /nfs/dbraw/zinc/65/26/34/556652634.db2.gz DYGAREIGYYLBDC-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cc(F)ccc1F ZINC000011758700 556653458 /nfs/dbraw/zinc/65/34/58/556653458.db2.gz PHSXTSLXUNZIOB-UHFFFAOYSA-N 0 0 448.438 4.628 50 0 IJAARN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(-c3csc4nc(C)cc(=O)n34)cc2)c1 ZINC000011770785 556654472 /nfs/dbraw/zinc/65/44/72/556654472.db2.gz MNLZMYXOISWBOP-QGZVFWFLSA-N 0 0 433.533 4.754 50 0 IJAARN O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000011793910 556656259 /nfs/dbraw/zinc/65/62/59/556656259.db2.gz ZRJOKKNPLDLJNN-UHFFFAOYSA-N 0 0 425.341 4.643 50 0 IJAARN CC(C)CCn1c(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc2c1=O ZINC000011828895 556658837 /nfs/dbraw/zinc/65/88/37/556658837.db2.gz GJIIBTWVGZAQJX-LJQANCHMSA-N 0 0 437.609 4.672 50 0 IJAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011834954 556659406 /nfs/dbraw/zinc/65/94/06/556659406.db2.gz WFMLFSNIOFJKTI-UHFFFAOYSA-N 0 0 441.456 4.927 50 0 IJAARN O=C(C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NCc1cccnc1 ZINC000017097826 556662295 /nfs/dbraw/zinc/66/22/95/556662295.db2.gz FKQLPYNFQKIPNP-VMPITWQZSA-N 0 0 432.332 4.853 50 0 IJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1cccc(C)n1 ZINC000033013302 556662825 /nfs/dbraw/zinc/66/28/25/556662825.db2.gz TYARMBPTTNNZKG-UHFFFAOYSA-N 0 0 444.491 4.832 50 0 IJAARN Cc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)cc1Cl ZINC000017098645 556663527 /nfs/dbraw/zinc/66/35/27/556663527.db2.gz QVZIWGADCJXYJW-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000060318789 556665302 /nfs/dbraw/zinc/66/53/02/556665302.db2.gz ISDOKFKYZLNMTP-UHFFFAOYSA-N 0 0 439.459 4.590 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3ccccc3Cl)sc2C)CC1 ZINC000011866145 556665986 /nfs/dbraw/zinc/66/59/86/556665986.db2.gz WMGOUPDCZFGNIJ-UHFFFAOYSA-N 0 0 427.957 4.743 50 0 IJAARN Cc1ccc(-c2csc3c2[nH]c(N2CCN(c4cccc(Cl)c4)CC2)nc3=O)cc1 ZINC000044168017 556666468 /nfs/dbraw/zinc/66/64/68/556666468.db2.gz SENVTEBEKZPMIR-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000044803570 556667765 /nfs/dbraw/zinc/66/77/65/556667765.db2.gz PDMQRTLVGIGAAE-OAHLLOKOSA-N 0 0 444.457 4.902 50 0 IJAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000011886224 556668255 /nfs/dbraw/zinc/66/82/55/556668255.db2.gz CORRKBXMZLGAJO-HXUWFJFHSA-N 0 0 430.574 4.736 50 0 IJAARN CCOc1ccc2[nH]c(SCC(=O)N(c3c(C)cccc3CC)[C@H](C)COC)nc2c1 ZINC000017123715 556668693 /nfs/dbraw/zinc/66/86/93/556668693.db2.gz FSRPHDFKHHVNEB-QGZVFWFLSA-N 0 0 441.597 4.993 50 0 IJAARN COc1cccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000017148900 556670282 /nfs/dbraw/zinc/67/02/82/556670282.db2.gz ZAEUXHDCMLAXHG-UHFFFAOYSA-N 0 0 428.540 4.575 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)[C@H]1C ZINC000248162256 556672767 /nfs/dbraw/zinc/67/27/67/556672767.db2.gz PMRQHTRWENQZKG-GLJUWKHASA-N 0 0 443.487 4.827 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)sc2c1CCCC2 ZINC000011914645 556673852 /nfs/dbraw/zinc/67/38/52/556673852.db2.gz GVDOHJQOPSKVMF-UHFFFAOYSA-N 0 0 425.506 4.779 50 0 IJAARN COc1cc(OC)c(C2=CCN(C(=O)c3cccc(C)c3-n3cccc3)CC2)c(OC)c1 ZINC000032932561 556675701 /nfs/dbraw/zinc/67/57/01/556675701.db2.gz AWMFYALNHXTHCN-UHFFFAOYSA-N 0 0 432.520 4.741 50 0 IJAARN O[C@@H](COCc1ccccc1)Cn1c(Cc2nc3ccccc3s2)nc2ccccc21 ZINC000032932973 556676103 /nfs/dbraw/zinc/67/61/03/556676103.db2.gz REHIOYPWHZUMTM-LJQANCHMSA-N 0 0 429.545 4.815 50 0 IJAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010620495 556677723 /nfs/dbraw/zinc/67/77/23/556677723.db2.gz ZBFQRCBVQMMUFL-UHFFFAOYSA-N 0 0 441.936 4.515 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)c(Cl)cc12 ZINC000238882198 556681938 /nfs/dbraw/zinc/68/19/38/556681938.db2.gz CRSKXBXBBVTNET-SHTZXODSSA-N 0 0 449.931 4.991 50 0 biogenic IJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000018038090 556681882 /nfs/dbraw/zinc/68/18/82/556681882.db2.gz XWMMDWNLNSEVAS-OAHLLOKOSA-N 0 0 446.787 4.904 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000018247227 556688171 /nfs/dbraw/zinc/68/81/71/556688171.db2.gz HFHOXXCKQXYOKK-XOKHGSTOSA-N 0 0 442.309 4.594 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)s1 ZINC000033022887 556688203 /nfs/dbraw/zinc/68/82/03/556688203.db2.gz PBMWCCPZNSVABZ-KRWDZBQOSA-N 0 0 436.581 4.740 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000585655875 556688350 /nfs/dbraw/zinc/68/83/50/556688350.db2.gz YJEPYGBKNBQERC-OAQYLSRUSA-N 0 0 448.544 4.523 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)o1 ZINC000046141340 556692696 /nfs/dbraw/zinc/69/26/96/556692696.db2.gz OFVQKTIOXMRGPR-UHFFFAOYSA-N 0 0 449.941 4.807 50 0 IJAARN Cc1cc(N2CCSCC2)ccc1NC(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000072313634 556694126 /nfs/dbraw/zinc/69/41/26/556694126.db2.gz MKWBLQYWZHCWDK-QHCPKHFHSA-N 0 0 445.604 4.911 50 0 IJAARN CN(C)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)c1 ZINC000033025654 556700826 /nfs/dbraw/zinc/70/08/26/556700826.db2.gz OWABDFIXHAKKLQ-UHFFFAOYSA-N 0 0 429.549 4.731 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1F ZINC000033026108 556702165 /nfs/dbraw/zinc/70/21/65/556702165.db2.gz AOINHQNZZAGQMF-UHFFFAOYSA-N 0 0 433.508 4.995 50 0 IJAARN O=c1nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c2c(-c3ccccc3Cl)csc21 ZINC000048986625 556702803 /nfs/dbraw/zinc/70/28/03/556702803.db2.gz IBVRVTZIOLXWDD-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)N1CCC(Cc2ccccc2)CC1 ZINC000033031847 556712494 /nfs/dbraw/zinc/71/24/94/556712494.db2.gz QNIBKRHHRBKCAX-UHFFFAOYSA-N 0 0 445.538 4.655 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2ncccc2-n2cccc2)CC1 ZINC000033034616 556716697 /nfs/dbraw/zinc/71/66/97/556716697.db2.gz UITWNUWSNFHHIA-UHFFFAOYSA-N 0 0 430.430 4.626 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1 ZINC000033037162 556722181 /nfs/dbraw/zinc/72/21/81/556722181.db2.gz ZGLPTXOBFMZIDC-UHFFFAOYSA-N 0 0 428.492 4.638 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCCC2 ZINC000072324827 556722384 /nfs/dbraw/zinc/72/23/84/556722384.db2.gz ABDZCHRPHSMXTE-QHCPKHFHSA-N 0 0 431.536 4.695 50 0 biogenic IJAARN COCCn1ccc2c1cccc2NC(=O)c1cn(CCC(C)C)c(=O)c2ccccc12 ZINC000072324810 556722428 /nfs/dbraw/zinc/72/24/28/556722428.db2.gz BHJNVFKVHCLANM-UHFFFAOYSA-N 0 0 431.536 4.901 50 0 biogenic IJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)cc1 ZINC000072328315 556724975 /nfs/dbraw/zinc/72/49/75/556724975.db2.gz DLPRTSRNXYHMHX-QHCPKHFHSA-N 0 0 442.625 4.651 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1Cl ZINC000072328721 556726475 /nfs/dbraw/zinc/72/64/75/556726475.db2.gz AJXRLDXXOVUTAC-UHFFFAOYSA-N 0 0 445.350 4.745 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)[nH]n2)cc1 ZINC000072331248 556730023 /nfs/dbraw/zinc/73/00/23/556730023.db2.gz QDULYXDENNKSPL-UHFFFAOYSA-N 0 0 438.959 4.871 50 0 IJAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)cc1 ZINC000055073774 556733965 /nfs/dbraw/zinc/73/39/65/556733965.db2.gz ZUHDYWSQTJMHTL-HXUWFJFHSA-N 0 0 448.592 4.725 50 0 IJAARN Cc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c(O)c1C ZINC000019312706 556735715 /nfs/dbraw/zinc/73/57/15/556735715.db2.gz BGCXEYXYDDJRMD-AREMUKBSSA-N 0 0 428.576 4.875 50 0 IJAARN Cc1cccn2c(CN(C)Cc3ccc(F)cc3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055270275 556739327 /nfs/dbraw/zinc/73/93/27/556739327.db2.gz CIWVFBDESRGCPA-UHFFFAOYSA-N 0 0 444.554 4.729 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000055358676 556740451 /nfs/dbraw/zinc/74/04/51/556740451.db2.gz RLDYWRLICHMDBM-QFIPXVFZSA-N 0 0 440.588 4.829 50 0 IJAARN CCCc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055360850 556740771 /nfs/dbraw/zinc/74/07/71/556740771.db2.gz LIWRKWAGODORBQ-JOCHJYFZSA-N 0 0 431.540 4.610 50 0 IJAARN c1cnc(Oc2ccc(CN(Cc3cccnc3)Cc3ccc4c(c3)OCO4)cc2)nc1 ZINC000055393364 556741199 /nfs/dbraw/zinc/74/11/99/556741199.db2.gz XXOLSOWTYYTEHK-UHFFFAOYSA-N 0 0 426.476 4.595 50 0 IJAARN CCOc1ccc(CNC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000033048090 556743575 /nfs/dbraw/zinc/74/35/75/556743575.db2.gz PZMXBUGXIFHCTC-UHFFFAOYSA-N 0 0 442.563 4.826 50 0 IJAARN CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000005235714 556746343 /nfs/dbraw/zinc/74/63/43/556746343.db2.gz VPRGRVXPJXCZEZ-UHFFFAOYSA-N 0 0 426.557 4.886 50 0 IJAARN O=C(N1CCC[C@@H]1CS(=O)(=O)c1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096366829 556748977 /nfs/dbraw/zinc/74/89/77/556748977.db2.gz UOZDHGIIRBLNSV-HXUWFJFHSA-N 0 0 431.985 4.617 50 0 IJAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1Br ZINC000057986233 556750365 /nfs/dbraw/zinc/75/03/65/556750365.db2.gz YOEQEJYMKXQWLE-UHFFFAOYSA-N 0 0 435.299 4.806 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)N[C@H](C)c3cccc(NC(C)=O)c3)ccc2s1 ZINC000057994850 556751426 /nfs/dbraw/zinc/75/14/26/556751426.db2.gz PQXPGBRXCMCRPI-CYBMUJFWSA-N 0 0 425.510 4.919 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000058153565 556762274 /nfs/dbraw/zinc/76/22/74/556762274.db2.gz UWLYWGCWBDVQHP-QFIPXVFZSA-N 0 0 426.358 4.638 50 0 IJAARN O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000058157848 556763190 /nfs/dbraw/zinc/76/31/90/556763190.db2.gz PZQCZZHLVAWCNN-DEOSSOPVSA-N 0 0 433.939 4.550 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Nc3ccccc3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058158267 556763240 /nfs/dbraw/zinc/76/32/40/556763240.db2.gz JWBXUEDYSZGYLA-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000005326073 556764133 /nfs/dbraw/zinc/76/41/33/556764133.db2.gz SEPCAUUAGZRNAG-QGZVFWFLSA-N 0 0 426.561 4.580 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCc1ccccc1Cl)C(=O)OC2 ZINC000062001666 556764616 /nfs/dbraw/zinc/76/46/16/556764616.db2.gz HZXJCKIDBXPNGC-RIYZIHGNSA-N 0 0 443.927 4.618 50 0 biogenic IJAARN COc1ccc(NC(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)cc1 ZINC000062001716 556764620 /nfs/dbraw/zinc/76/46/20/556764620.db2.gz PWLWHOJBDMBPPG-GIDUJCDVSA-N 0 0 439.508 4.599 50 0 biogenic IJAARN CCOc1cc2c(c3[nH]c(C(=O)N[C@@H](C)c4ccc(NC(=O)C5CC5)cc4)cc31)O[C@@H](C)C2 ZINC000058161592 556765583 /nfs/dbraw/zinc/76/55/83/556765583.db2.gz LPPPDFHVKCVKES-GJZGRUSLSA-N 0 0 447.535 4.730 50 0 IJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000206595712 556770220 /nfs/dbraw/zinc/77/02/20/556770220.db2.gz NQAJZTBYZSVWIB-UHFFFAOYSA-N 0 0 449.601 4.846 50 0 IJAARN O=C1CC[C@@H](Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CN1 ZINC000058305488 556778997 /nfs/dbraw/zinc/77/89/97/556778997.db2.gz KSZBCPHZEJIBOK-CYBMUJFWSA-N 0 0 445.013 4.816 50 0 IJAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000058310373 556779827 /nfs/dbraw/zinc/77/98/27/556779827.db2.gz YTQGTXXQAGMHOX-QHCPKHFHSA-N 0 0 430.552 4.511 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058377514 556783755 /nfs/dbraw/zinc/78/37/55/556783755.db2.gz SOMIDSIHUPUOAD-FUHWJXTLSA-N 0 0 433.257 4.541 50 0 IJAARN COc1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)c(C(=O)N2CCCC2)cc1OC ZINC000058393818 556785125 /nfs/dbraw/zinc/78/51/25/556785125.db2.gz LLDBMFVGFNFUEE-HXUWFJFHSA-N 0 0 445.585 4.910 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000058643837 556791054 /nfs/dbraw/zinc/79/10/54/556791054.db2.gz BDXKCZPNQJFBKG-UHFFFAOYSA-N 0 0 445.498 4.536 50 0 IJAARN O=C(NCCNC(=O)c1ccccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058775267 556791961 /nfs/dbraw/zinc/79/19/61/556791961.db2.gz CEZYQVRPZSWAFV-UHFFFAOYSA-N 0 0 438.755 4.537 50 0 IJAARN Cc1cccc(C)c1OCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C ZINC000058983909 556793793 /nfs/dbraw/zinc/79/37/93/556793793.db2.gz FVNXKMLNJLFEAD-UHFFFAOYSA-N 0 0 446.473 4.835 50 0 IJAARN CCCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)[C@@H](C)c1ccccc1Br ZINC000059120248 556795061 /nfs/dbraw/zinc/79/50/61/556795061.db2.gz WPZDRGUJBONWKJ-HNNXBMFYSA-N 0 0 445.357 4.712 50 0 IJAARN CC[C@H]1CCc2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)sc2C1 ZINC000059318399 556797728 /nfs/dbraw/zinc/79/77/28/556797728.db2.gz OJGIATIHJWSDJZ-LBPRGKRZSA-N 0 0 435.475 4.818 50 0 IJAARN C/C(=C/C(=O)N(C)C1CCN(c2cc(C)nc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072071137 556799249 /nfs/dbraw/zinc/79/92/49/556799249.db2.gz ROUHHTJHRGVCJL-SQFISAMPSA-N 0 0 432.490 4.643 50 0 IJAARN O=C(Nc1ccc2cc[nH]c2c1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401222 556800061 /nfs/dbraw/zinc/80/00/61/556800061.db2.gz CKGQXHUMUFHAOR-GBXCKJPGSA-N 0 0 443.547 4.838 50 0 IJAARN Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)s1 ZINC000072401254 556800249 /nfs/dbraw/zinc/80/02/49/556800249.db2.gz HIBFGEFWHAMWGJ-FQEVSTJZSA-N 0 0 432.549 4.538 50 0 IJAARN Cc1ccccc1-n1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)NC1CC1 ZINC000002636304 556801296 /nfs/dbraw/zinc/80/12/96/556801296.db2.gz IGRJLENYGYLOPV-UHFFFAOYSA-N 0 0 447.585 4.793 50 0 IJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000034201466 556803162 /nfs/dbraw/zinc/80/31/62/556803162.db2.gz VQUOBFXGTNHICE-BOPFTXTBSA-N 0 0 433.327 4.954 50 0 IJAARN O=C(OCCCOC(=O)c1c(Cl)nsc1Cl)c1c(Cl)nsc1Cl ZINC000003169268 556803743 /nfs/dbraw/zinc/80/37/43/556803743.db2.gz ASEJHZBXRPMDQF-UHFFFAOYSA-N 0 0 436.125 4.617 50 0 IJAARN O=C(OCc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000003303626 556808866 /nfs/dbraw/zinc/80/88/66/556808866.db2.gz SHBRJXKURRKQHR-PMACEKPBSA-N 0 0 442.353 4.888 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003345489 556813291 /nfs/dbraw/zinc/81/32/91/556813291.db2.gz RQAUJGPIVVLRRX-UHFFFAOYSA-N 0 0 435.860 4.666 50 0 IJAARN Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCCN1CCOCC1 ZINC000021797976 556815596 /nfs/dbraw/zinc/81/55/96/556815596.db2.gz NAEZRYZNJCCLFW-UHFFFAOYSA-N 0 0 427.552 4.530 50 0 IJAARN C[C@H](OC(=O)c1c2c(nc3ccccc31)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000060382795 556816128 /nfs/dbraw/zinc/81/61/28/556816128.db2.gz DOPZULNMZVDIGK-ZDUSSCGKSA-N 0 0 439.309 4.670 50 0 IJAARN C[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003378798 556816335 /nfs/dbraw/zinc/81/63/35/556816335.db2.gz BJYPXOHCPPEOQG-OXQOHEQNSA-N 0 0 447.501 4.536 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccccc2F)ccc1C ZINC000003492043 556816893 /nfs/dbraw/zinc/81/68/93/556816893.db2.gz MECCIOCEMCPWNE-UHFFFAOYSA-N 0 0 427.497 4.706 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccccc4Cl)cc3)nc2c1 ZINC000033068022 556819779 /nfs/dbraw/zinc/81/97/79/556819779.db2.gz YNXBEESCNNZCRE-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1 ZINC000033067806 556819823 /nfs/dbraw/zinc/81/98/23/556819823.db2.gz WBISFQKPJDWKED-QFIPXVFZSA-N 0 0 427.504 4.714 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000064450521 556824227 /nfs/dbraw/zinc/82/42/27/556824227.db2.gz LNIRQYYQWSAHGX-UHFFFAOYSA-N 0 0 441.509 4.664 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662199 556826224 /nfs/dbraw/zinc/82/62/24/556826224.db2.gz VKBLXRWZXNNBEI-VWLOTQADSA-N 0 0 435.593 4.875 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662201 556826237 /nfs/dbraw/zinc/82/62/37/556826237.db2.gz VKBLXRWZXNNBEI-RUZDIDTESA-N 0 0 435.593 4.875 50 0 IJAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1OC ZINC000033068662 556828801 /nfs/dbraw/zinc/82/88/01/556828801.db2.gz YKKBWWNVIHRTAT-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000065361941 556834084 /nfs/dbraw/zinc/83/40/84/556834084.db2.gz JRTBZQQTFNCYPU-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3c(n2)sc2c3CCCC2)cc1 ZINC000033068935 556836456 /nfs/dbraw/zinc/83/64/56/556836456.db2.gz GRCMJHAHYALSKR-UHFFFAOYSA-N 0 0 445.588 4.846 50 0 IJAARN CCCn1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1csc2c1CCCC2 ZINC000019639127 556836616 /nfs/dbraw/zinc/83/66/16/556836616.db2.gz AJDJYTWBPURHKN-UHFFFAOYSA-N 0 0 443.623 4.657 50 0 IJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000334161815 556837152 /nfs/dbraw/zinc/83/71/52/556837152.db2.gz FWUQSOJFKXIMRL-UHFFFAOYSA-N 0 0 444.253 4.752 50 0 IJAARN CC(=O)c1cc(C)cc2c1N(C(=O)CSc1nnnn1-c1ccccc1)C(C)(C)C[C@H]2C ZINC000334161398 556837302 /nfs/dbraw/zinc/83/73/02/556837302.db2.gz ZFHKAOHOKJEIHO-MRXNPFEDSA-N 0 0 449.580 4.584 50 0 IJAARN COc1cc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(OC)cc1Cl ZINC000011220408 556847762 /nfs/dbraw/zinc/84/77/62/556847762.db2.gz IXPWUGAVDPWAQZ-UHFFFAOYSA-N 0 0 438.915 4.741 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1 ZINC000033113233 556859927 /nfs/dbraw/zinc/85/99/27/556859927.db2.gz FNBSPKDDXZTMOH-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN(C(=O)Nc4ccc(F)cc4)C3)s2)cc1 ZINC000033113334 556860244 /nfs/dbraw/zinc/86/02/44/556860244.db2.gz NZHPAWYHEQNYLB-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN CC1(C)CC(=O)C(C(c2cc3ccccc3cc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000004669234 556861752 /nfs/dbraw/zinc/86/17/52/556861752.db2.gz YSAJUHNLRWEOMN-UHFFFAOYSA-N 0 0 434.532 4.778 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@H]1COc2ccc(NC(=O)Nc3ccccc3)cc2C1 ZINC000033121681 556862795 /nfs/dbraw/zinc/86/27/95/556862795.db2.gz IJIQYNMGIABFFY-HXUWFJFHSA-N 0 0 445.519 4.597 50 0 IJAARN COc1cc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc(OC)c1 ZINC000033128688 556865767 /nfs/dbraw/zinc/86/57/67/556865767.db2.gz MPZBFAIJJKXVAE-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN COc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033125767 556866738 /nfs/dbraw/zinc/86/67/38/556866738.db2.gz OUAZAQICXWCXPC-UHFFFAOYSA-N 0 0 430.936 4.804 50 0 IJAARN COC(=O)c1cccc(NC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129523 556868626 /nfs/dbraw/zinc/86/86/26/556868626.db2.gz FNCOWOVXEUBRKF-UHFFFAOYSA-N 0 0 446.488 4.979 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168790 556880901 /nfs/dbraw/zinc/88/09/01/556880901.db2.gz GQWYGMCLTPREKV-GOSISDBHSA-N 0 0 434.565 4.882 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccccc32)cc1Cl ZINC000033249394 556889144 /nfs/dbraw/zinc/88/91/44/556889144.db2.gz JYABWKLFUUDZAH-UHFFFAOYSA-N 0 0 428.941 4.656 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1F ZINC000033249436 556889342 /nfs/dbraw/zinc/88/93/42/556889342.db2.gz IXTXZMOUOQKUHV-UHFFFAOYSA-N 0 0 446.931 4.795 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccc(-c4ccccc4)n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000033249565 556889534 /nfs/dbraw/zinc/88/95/34/556889534.db2.gz MPRQKXYMEVDNBU-NDEPHWFRSA-N 0 0 441.575 4.937 50 0 IJAARN COC(=O)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000033255283 556894757 /nfs/dbraw/zinc/89/47/57/556894757.db2.gz YUMVXZONZZQTFW-UHFFFAOYSA-N 0 0 440.887 4.588 50 0 IJAARN CCc1cc(Sc2ccccc2NC(=O)Cc2ccccc2Cl)n2nc(C)nc2n1 ZINC000033257109 556895716 /nfs/dbraw/zinc/89/57/16/556895716.db2.gz BVBRYJLLGIWDIA-UHFFFAOYSA-N 0 0 437.956 4.981 50 0 IJAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1 ZINC000033258263 556895876 /nfs/dbraw/zinc/89/58/76/556895876.db2.gz ZJFJKFOSZOIQPI-UHFFFAOYSA-N 0 0 447.539 4.757 50 0 IJAARN COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000019816358 556919670 /nfs/dbraw/zinc/91/96/70/556919670.db2.gz IUQITMPWCUJJFZ-UHFFFAOYSA-N 0 0 434.265 4.608 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 ZINC000019824133 556925374 /nfs/dbraw/zinc/92/53/74/556925374.db2.gz JYMOUHINZBXUQW-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(OC)c(OC)c2)CO1 ZINC000019882402 556937336 /nfs/dbraw/zinc/93/73/36/556937336.db2.gz JOPFMLLONVHGGH-UHFFFAOYSA-N 0 0 429.900 4.768 50 0 IJAARN CCOc1cc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000019913642 556943646 /nfs/dbraw/zinc/94/36/46/556943646.db2.gz AVLZDTTWZCJILS-UHFFFAOYSA-N 0 0 444.575 4.570 50 0 IJAARN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1sc2ccccc2c1Cl ZINC000019922503 556943895 /nfs/dbraw/zinc/94/38/95/556943895.db2.gz DKZOEDGYTFTIPY-UHFFFAOYSA-N 0 0 445.997 4.514 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020058885 556975238 /nfs/dbraw/zinc/97/52/38/556975238.db2.gz WSDVBNRMLTTZOW-GAJHUEQPSA-N 0 0 426.476 4.910 50 0 IJAARN COc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)cc1 ZINC000033266754 556977999 /nfs/dbraw/zinc/97/79/99/556977999.db2.gz GGROWPAWVKTGBK-UHFFFAOYSA-N 0 0 429.545 4.946 50 0 IJAARN O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc2ccccc21 ZINC000020103589 556981308 /nfs/dbraw/zinc/98/13/08/556981308.db2.gz ZJXYRKMRZLPDIC-XMMPIXPASA-N 0 0 447.498 4.701 50 0 IJAARN COC(=O)c1c(NC2CC[NH+](Cc3ccccc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000033269061 556987352 /nfs/dbraw/zinc/98/73/52/556987352.db2.gz YPOZCDGYLHYRFF-UHFFFAOYSA-N 0 0 425.916 4.858 50 0 IJAARN CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)ccc1OCC(C)C ZINC000023054857 556988636 /nfs/dbraw/zinc/98/86/36/556988636.db2.gz MLVCHHFXZSOQGW-UHFFFAOYSA-N 0 0 448.445 4.972 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2c(C)sc3ccn(CC(C)C)c(=O)c32)cc1OC ZINC000097151647 556992816 /nfs/dbraw/zinc/99/28/16/556992816.db2.gz QFPBLGPTYDKKDU-AWEZNQCLSA-N 0 0 428.554 4.536 50 0 IJAARN Nc1nc(NC(=O)c2cccc(Cl)c2Cl)nnc1-c1cccc(Cl)c1Cl ZINC000077291393 556998645 /nfs/dbraw/zinc/99/86/45/556998645.db2.gz RDUGDEWOUWFKPL-UHFFFAOYSA-N 0 0 429.094 4.987 50 0 in-vitro IJAARN CCOc1c(Cl)cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1OC ZINC000011250984 557001864 /nfs/dbraw/zinc/00/18/64/557001864.db2.gz LFGDKWUWRDKXDL-UHFFFAOYSA-N 0 0 431.838 4.756 50 0 IJAARN COc1cccc(CC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020274153 557004989 /nfs/dbraw/zinc/00/49/89/557004989.db2.gz FHWQIWIGEHBILZ-JOCHJYFZSA-N 0 0 433.895 4.847 50 0 IJAARN COc1cccc(CNC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020274294 557005044 /nfs/dbraw/zinc/00/50/44/557005044.db2.gz VXGDKIFUWJRTOC-NRFANRHFSA-N 0 0 448.910 4.987 50 0 IJAARN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CN1CCN(c2ccccc2)CC1 ZINC000020311048 557007380 /nfs/dbraw/zinc/00/73/80/557007380.db2.gz UDRDGBCQEQPHOR-XDHOZWIPSA-N 0 0 448.375 4.809 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000020324273 557007759 /nfs/dbraw/zinc/00/77/59/557007759.db2.gz VKEPOYXFXWTPFR-QHCPKHFHSA-N 0 0 449.551 4.974 50 0 IJAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1C ZINC000020417902 557014766 /nfs/dbraw/zinc/01/47/66/557014766.db2.gz AZJCJQIYTBNBTF-UHFFFAOYSA-N 0 0 437.590 4.864 50 0 IJAARN CSc1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1 ZINC000045994554 557014792 /nfs/dbraw/zinc/01/47/92/557014792.db2.gz JWEHDMQIPPZBFK-UHFFFAOYSA-N 0 0 443.528 4.696 50 0 IJAARN COc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020426399 557015408 /nfs/dbraw/zinc/01/54/08/557015408.db2.gz ZPSQODAXQFLLRQ-UHFFFAOYSA-N 0 0 444.575 4.570 50 0 IJAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000010687092 557017994 /nfs/dbraw/zinc/01/79/94/557017994.db2.gz LKYDAARTIVKHCT-UHFFFAOYSA-N 0 0 433.533 4.564 50 0 IJAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)cc(C(F)(F)F)c12 ZINC000045992458 557018182 /nfs/dbraw/zinc/01/81/82/557018182.db2.gz UBPGWZNNGJUMSB-NSHDSACASA-N 0 0 426.826 4.663 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 ZINC000046012031 557018446 /nfs/dbraw/zinc/01/84/46/557018446.db2.gz ONXOBGAPODOUMB-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN CCc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000046012275 557018813 /nfs/dbraw/zinc/01/88/13/557018813.db2.gz SSKLZQIWGJYRBH-UHFFFAOYSA-N 0 0 429.476 4.992 50 0 IJAARN CC(C)COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1 ZINC000046016967 557020029 /nfs/dbraw/zinc/02/00/29/557020029.db2.gz FOKCERKSFDBEJD-FQEVSTJZSA-N 0 0 449.576 4.582 50 0 IJAARN CCc1cc(OCC(=O)Nc2ccc(F)c(F)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017006 557020120 /nfs/dbraw/zinc/02/01/20/557020120.db2.gz QUVCYWQAOKAJFT-UHFFFAOYSA-N 0 0 436.462 4.895 50 0 IJAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000046018681 557020812 /nfs/dbraw/zinc/02/08/12/557020812.db2.gz CFZFPIXMEZWFDW-LJQANCHMSA-N 0 0 430.508 4.523 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c(OC)c1 ZINC000046022465 557022214 /nfs/dbraw/zinc/02/22/14/557022214.db2.gz UCPBOKBPENGBDQ-UHFFFAOYSA-N 0 0 443.594 4.999 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)cc1 ZINC000046032346 557024825 /nfs/dbraw/zinc/02/48/25/557024825.db2.gz DCCJPKQMXSCDPR-UHFFFAOYSA-N 0 0 432.593 4.959 50 0 IJAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045329 557025406 /nfs/dbraw/zinc/02/54/06/557025406.db2.gz MBDSFZYNIUNIBS-QHCPKHFHSA-N 0 0 446.616 4.702 50 0 IJAARN O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043830 557025503 /nfs/dbraw/zinc/02/55/03/557025503.db2.gz LLBIQWHPENRHLK-CYBMUJFWSA-N 0 0 428.813 4.989 50 0 IJAARN COC(=O)c1c(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)sc2c1CC[C@@H](C)C2 ZINC000021797889 557026894 /nfs/dbraw/zinc/02/68/94/557026894.db2.gz OWGOYJXRIUGGBN-CYBMUJFWSA-N 0 0 425.506 4.596 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)o1)NCCC(c1ccccc1)c1ccccc1 ZINC000032945270 557028661 /nfs/dbraw/zinc/02/86/61/557028661.db2.gz DSXRJKSURMCFNS-UHFFFAOYSA-N 0 0 430.533 4.562 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000046076207 557032546 /nfs/dbraw/zinc/03/25/46/557032546.db2.gz AJGUCEJHHRQWPI-INIZCTEOSA-N 0 0 425.506 4.924 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2ccc(C)cc2O3)cc1 ZINC000046077598 557033244 /nfs/dbraw/zinc/03/32/44/557033244.db2.gz XSPQOFNWQPFGBU-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000046078723 557033861 /nfs/dbraw/zinc/03/38/61/557033861.db2.gz KSDWPMCOLQBTTE-UHFFFAOYSA-N 0 0 427.504 4.799 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1)N1CCc2ccccc21 ZINC000046079550 557034701 /nfs/dbraw/zinc/03/47/01/557034701.db2.gz ABZUCPIJUYAMBP-UHFFFAOYSA-N 0 0 429.495 4.861 50 0 IJAARN CSc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000046125044 557037532 /nfs/dbraw/zinc/03/75/32/557037532.db2.gz IXENDUDDKNKGBP-QGZVFWFLSA-N 0 0 435.593 4.695 50 0 IJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000017244653 557044112 /nfs/dbraw/zinc/04/41/12/557044112.db2.gz JBEUKGUVIAUJGL-HDICACEKSA-N 0 0 448.588 4.857 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000022920001 557047043 /nfs/dbraw/zinc/04/70/43/557047043.db2.gz DKFBWHDXRXVVFF-DEOSSOPVSA-N 0 0 435.593 4.644 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC)nn3)c2)cc1 ZINC000017271048 557048870 /nfs/dbraw/zinc/04/88/70/557048870.db2.gz JKBPOUORQFAJLU-UHFFFAOYSA-N 0 0 427.526 4.522 50 0 IJAARN COc1ccccc1CN(CCO)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000048261814 557049534 /nfs/dbraw/zinc/04/95/34/557049534.db2.gz DRJQQYGQJWBIQZ-UHFFFAOYSA-N 0 0 429.536 4.630 50 0 IJAARN COc1ccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000048287442 557053117 /nfs/dbraw/zinc/05/31/17/557053117.db2.gz PWSRWQBDOMVWQL-QWRLVCTISA-N 0 0 446.591 4.672 50 0 IJAARN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017307374 557053488 /nfs/dbraw/zinc/05/34/88/557053488.db2.gz KJKKMXKAWNILCS-FQEVSTJZSA-N 0 0 449.981 4.745 50 0 IJAARN Cc1cc(N2CCC(C(=O)NCc3ccccc3C)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033275106 557053578 /nfs/dbraw/zinc/05/35/78/557053578.db2.gz BXJGVPAESDWHBJ-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 ZINC000017315876 557056661 /nfs/dbraw/zinc/05/66/61/557056661.db2.gz RNBXAVCTCCTIJY-UHFFFAOYSA-N 0 0 442.562 4.541 50 0 IJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2cc(OC)ccc2OC)c1N ZINC000017316088 557056837 /nfs/dbraw/zinc/05/68/37/557056837.db2.gz IFMZYEUXIIJMSC-UHFFFAOYSA-N 0 0 431.539 4.519 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000048279991 557057454 /nfs/dbraw/zinc/05/74/54/557057454.db2.gz RJFUEUNPTRUSFY-QHCPKHFHSA-N 0 0 448.935 4.823 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048309323 557059954 /nfs/dbraw/zinc/05/99/54/557059954.db2.gz ZUVAXDUREOXRQJ-SFTDATJTSA-N 0 0 447.604 4.841 50 0 IJAARN CCNc1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)s1 ZINC000023054888 557060498 /nfs/dbraw/zinc/06/04/98/557060498.db2.gz KFONJEHWPMCHLH-INIZCTEOSA-N 0 0 428.608 4.942 50 0 IJAARN O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000048300371 557061967 /nfs/dbraw/zinc/06/19/67/557061967.db2.gz CLRBMDDZZRSMMD-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN C[C@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(F)cc1 ZINC000023076511 557062215 /nfs/dbraw/zinc/06/22/15/557062215.db2.gz AFZVQZJCFVIXPI-HNNXBMFYSA-N 0 0 447.557 4.904 50 0 IJAARN COc1ccc(Oc2ccc(CNC(=O)c3cc4cc(OC)ccc4nc3C)cn2)cc1 ZINC000048302085 557063353 /nfs/dbraw/zinc/06/33/53/557063353.db2.gz OLLPTMOAKFLTCE-UHFFFAOYSA-N 0 0 429.476 4.678 50 0 IJAARN O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033287253 557064384 /nfs/dbraw/zinc/06/43/84/557064384.db2.gz QAZXFPFZGFENRQ-UHFFFAOYSA-N 0 0 433.911 4.964 50 0 IJAARN COc1ccc(-c2nn3c(nc(C)cc3Nc3ccc(NC(C)=O)cc3)c2C)cc1OC ZINC000023118861 557064502 /nfs/dbraw/zinc/06/45/02/557064502.db2.gz PRJQOJYAPGDBFW-UHFFFAOYSA-N 0 0 431.496 4.732 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(C)ccc1C ZINC000023119027 557064742 /nfs/dbraw/zinc/06/47/42/557064742.db2.gz UBWPYDCPIUWWLS-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN COC(=O)c1ccc(OC)c(Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000023126806 557065449 /nfs/dbraw/zinc/06/54/49/557065449.db2.gz PWXRXGCRUPGRBU-UHFFFAOYSA-N 0 0 440.908 4.622 50 0 IJAARN CCOc1ccccc1NC(=O)C1CCN(c2nccnc2Oc2cccc(OC)c2)CC1 ZINC000033288353 557065529 /nfs/dbraw/zinc/06/55/29/557065529.db2.gz ZHVDVEWVIAHVLN-UHFFFAOYSA-N 0 0 448.523 4.531 50 0 IJAARN COc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1 ZINC000048324928 557065629 /nfs/dbraw/zinc/06/56/29/557065629.db2.gz HROCGIPXUBQLNC-AMIYKVBISA-N 0 0 446.591 4.622 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)cc1 ZINC000023171086 557070586 /nfs/dbraw/zinc/07/05/86/557070586.db2.gz MYZXJIKHLULXGI-UHFFFAOYSA-N 0 0 432.549 4.689 50 0 IJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCCCc3ccccc3)cc2)CC1 ZINC000033296692 557072554 /nfs/dbraw/zinc/07/25/54/557072554.db2.gz NMZPUIVLZGPJAY-UHFFFAOYSA-N 0 0 430.552 4.868 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccccc3C)no2)c1C ZINC000033296854 557072924 /nfs/dbraw/zinc/07/29/24/557072924.db2.gz PIUHESFDOOTLJZ-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033297941 557073979 /nfs/dbraw/zinc/07/39/79/557073979.db2.gz WJKVCLFKQQGCTK-WQLSENKSSA-N 0 0 443.500 4.750 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@]1(C)CC1(Cl)Cl)CC2 ZINC000023260263 557080927 /nfs/dbraw/zinc/08/09/27/557080927.db2.gz SDLJZYLCKFZZOU-PKOBYXMFSA-N 0 0 426.365 4.823 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 ZINC000023270072 557081190 /nfs/dbraw/zinc/08/11/90/557081190.db2.gz IPKFIQLBJZKUID-UHFFFAOYSA-N 0 0 438.846 4.659 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccccc1Cl ZINC000033299233 557081280 /nfs/dbraw/zinc/08/12/80/557081280.db2.gz ZIUKOOREZMKOIT-UHFFFAOYSA-N 0 0 436.864 4.862 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1 ZINC000033299252 557081627 /nfs/dbraw/zinc/08/16/27/557081627.db2.gz YVWYQOKYFUOFBJ-UHFFFAOYSA-N 0 0 432.445 4.930 50 0 IJAARN COc1ccc(Nc2nc(-c3nnn(-c4ccccc4C(F)(F)F)c3C)ns2)cc1 ZINC000033302159 557083593 /nfs/dbraw/zinc/08/35/93/557083593.db2.gz HYJIPNNPQWKPNT-UHFFFAOYSA-N 0 0 432.431 4.865 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000049004887 557084063 /nfs/dbraw/zinc/08/40/63/557084063.db2.gz LSZSKEIRWBGCQP-UHFFFAOYSA-N 0 0 432.471 4.890 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005302 557084302 /nfs/dbraw/zinc/08/43/02/557084302.db2.gz NNVDMYOJJZJNFR-QGZVFWFLSA-N 0 0 432.524 4.873 50 0 IJAARN COc1cccc(CNc2nc(C)c(-c3ccn(C[C@@H]4COc5ccccc5O4)n3)s2)c1 ZINC000023337619 557084804 /nfs/dbraw/zinc/08/48/04/557084804.db2.gz IYZYVLYGHRJCCK-LJQANCHMSA-N 0 0 448.548 4.776 50 0 IJAARN O=C(CCc1ccccc1)N1CC[C@@H]2[C@H](CCCN2C(=O)c2scc3c2CCCC3)C1 ZINC000023339034 557085643 /nfs/dbraw/zinc/08/56/43/557085643.db2.gz ARVVNVDZUPDPPF-NFBKMPQASA-N 0 0 436.621 4.713 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)cc1OC ZINC000033308245 557088193 /nfs/dbraw/zinc/08/81/93/557088193.db2.gz VWZRHZRJGOQQNC-UHFFFAOYSA-N 0 0 445.475 4.514 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)c1OC ZINC000033308348 557088865 /nfs/dbraw/zinc/08/88/65/557088865.db2.gz VQOOAGOEHZLYHR-UHFFFAOYSA-N 0 0 445.475 4.894 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(Br)cc3)c(C)s2)cs1 ZINC000033308432 557088913 /nfs/dbraw/zinc/08/89/13/557088913.db2.gz KWZXAIFBUOIRRW-UHFFFAOYSA-N 0 0 443.413 4.729 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000033310882 557094336 /nfs/dbraw/zinc/09/43/36/557094336.db2.gz SWLBNSGALKUEJY-LJQANCHMSA-N 0 0 434.458 4.527 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311308 557094940 /nfs/dbraw/zinc/09/49/40/557094940.db2.gz DNZXVOMSNAOMMD-WOOPDLCSSA-N 0 0 432.564 4.644 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)c1)N1CCCCC1 ZINC000033311166 557095014 /nfs/dbraw/zinc/09/50/14/557095014.db2.gz LQYDMMFYLQUCHN-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)ncn2)cc1 ZINC000033312003 557096202 /nfs/dbraw/zinc/09/62/02/557096202.db2.gz HVQDVMJQVRODBL-HXUWFJFHSA-N 0 0 444.579 4.968 50 0 IJAARN O=C(c1ccccc1)N1CCc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000033312728 557096569 /nfs/dbraw/zinc/09/65/69/557096569.db2.gz XZDMGCBGYCGWFD-UHFFFAOYSA-N 0 0 445.950 4.505 50 0 IJAARN CC(C)c1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404993 557100072 /nfs/dbraw/zinc/10/00/72/557100072.db2.gz AWUYKPXESMVWAP-UHFFFAOYSA-N 0 0 442.491 4.526 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(Cl)cc3)cccn12 ZINC000049405070 557100369 /nfs/dbraw/zinc/10/03/69/557100369.db2.gz QOVUZZULUDTBFI-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405162 557100383 /nfs/dbraw/zinc/10/03/83/557100383.db2.gz ZUMBMWGVHQLRFN-UHFFFAOYSA-N 0 0 434.565 4.865 50 0 IJAARN C=Cc1ccc(CN(c2ccc(CC)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405122 557100479 /nfs/dbraw/zinc/10/04/79/557100479.db2.gz WLKCJFJEWTVUND-UHFFFAOYSA-N 0 0 432.549 4.639 50 0 IJAARN CSc1ccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)cc1 ZINC000049405296 557100649 /nfs/dbraw/zinc/10/06/49/557100649.db2.gz BZYZWROEAWGPIG-UHFFFAOYSA-N 0 0 429.299 4.862 50 0 IJAARN O=C(CC1CCCCC1)Nc1ccc(Cn2cnc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000049422048 557108964 /nfs/dbraw/zinc/10/89/64/557108964.db2.gz WXEHGMGNZAQPJX-UHFFFAOYSA-N 0 0 448.542 4.909 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCC(Oc3nc4c(cccc4F)s3)CC2)cc1OC ZINC000049432378 557109876 /nfs/dbraw/zinc/10/98/76/557109876.db2.gz YZTPEPLPKBIGNO-VQHVLOKHSA-N 0 0 442.512 4.536 50 0 IJAARN O=C(CSCc1ccccc1)N1CCC(Oc2nc3c(cc(F)cc3F)s2)CC1 ZINC000049435022 557110164 /nfs/dbraw/zinc/11/01/64/557110164.db2.gz QGNHZIINNVYQBC-UHFFFAOYSA-N 0 0 434.533 4.878 50 0 IJAARN CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3c(F)cccc3Cl)n2n1 ZINC000043804392 557112180 /nfs/dbraw/zinc/11/21/80/557112180.db2.gz ACPFMUCAIKZHAG-UHFFFAOYSA-N 0 0 432.908 4.942 50 0 IJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)CCc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003137261 557112388 /nfs/dbraw/zinc/11/23/88/557112388.db2.gz YCCOXIALRITVQR-KRWDZBQOSA-N 0 0 444.815 4.727 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)Nc1cccc(Cl)c1 ZINC000033328907 557112718 /nfs/dbraw/zinc/11/27/18/557112718.db2.gz WDKVZQKQSCNKKT-UHFFFAOYSA-N 0 0 435.896 4.922 50 0 IJAARN Cn1c(=O)sc2c1N(c1ccc(OC(F)(F)F)cc1)C(=O)C[C@H]2c1ccccc1F ZINC000049549397 557112689 /nfs/dbraw/zinc/11/26/89/557112689.db2.gz AWWCRZRLRSHZNE-AWEZNQCLSA-N 0 0 438.402 4.685 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(I)cc1 ZINC000000629389 557114392 /nfs/dbraw/zinc/11/43/92/557114392.db2.gz KWUPWUREUIVXNC-UHFFFAOYSA-N 0 0 445.285 4.920 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC000000683077 557114790 /nfs/dbraw/zinc/11/47/90/557114790.db2.gz SHSATVJXICSECI-UHFFFAOYSA-N 0 0 427.092 4.641 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049611689 557115511 /nfs/dbraw/zinc/11/55/11/557115511.db2.gz OZNQCXIUBUATLY-IGKIAQTJSA-N 0 0 449.554 4.993 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581045 557116237 /nfs/dbraw/zinc/11/62/37/557116237.db2.gz DRVKTQRCXNGEOJ-IBGZPJMESA-N 0 0 443.572 4.960 50 0 IJAARN COc1ccc(C[C@H](NCc2nc3ccc(Cl)cc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000049581000 557116260 /nfs/dbraw/zinc/11/62/60/557116260.db2.gz HQPHILDAFOYDLI-QHCPKHFHSA-N 0 0 449.938 4.667 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000033331863 557116291 /nfs/dbraw/zinc/11/62/91/557116291.db2.gz QPQZPVARHXZMBW-VWLOTQADSA-N 0 0 435.524 4.501 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000033331915 557116314 /nfs/dbraw/zinc/11/63/14/557116314.db2.gz QUQMBKPTQGSNIX-MKTSZQRWSA-N 0 0 433.552 4.965 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004787281 557119556 /nfs/dbraw/zinc/11/95/56/557119556.db2.gz XEEJGYCODAXTIH-HSZRJFAPSA-N 0 0 445.519 4.988 50 0 IJAARN COc1ccc(C2=N/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C(=O)O2)cc1 ZINC000000623266 557121671 /nfs/dbraw/zinc/12/16/71/557121671.db2.gz YUNQQXXCCZRVLS-LICLKQGHSA-N 0 0 446.297 4.598 50 0 IJAARN O=C(CSc1nnc2n1CCCN2C(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000000642478 557124121 /nfs/dbraw/zinc/12/41/21/557124121.db2.gz XTUNKVZPKKFKOY-UHFFFAOYSA-N 0 0 443.985 4.514 50 0 aggregator IJAARN CC[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043774396 557124912 /nfs/dbraw/zinc/12/49/12/557124912.db2.gz PQDKVVIRQOEGLX-CARYKQCGSA-N 0 0 430.511 4.509 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014709574 557125477 /nfs/dbraw/zinc/12/54/77/557125477.db2.gz LQHBDKCCXJPUCU-UHFFFAOYSA-N 0 0 441.890 4.648 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)NC3CCCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800045 557127434 /nfs/dbraw/zinc/12/74/34/557127434.db2.gz KDTIPVKVZIOSLX-UKILVPOCSA-N 0 0 436.552 4.637 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000017916657 557128654 /nfs/dbraw/zinc/12/86/54/557128654.db2.gz MYJJETJXVCWLAC-LBPRGKRZSA-N 0 0 433.405 4.707 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000002210971 557129316 /nfs/dbraw/zinc/12/93/16/557129316.db2.gz WBMRCLJRLUPFPW-UHFFFAOYSA-N 0 0 445.500 4.821 50 0 IJAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(COc3ccc4ccccc4c3)c2)N1 ZINC000000652600 557129405 /nfs/dbraw/zinc/12/94/05/557129405.db2.gz SVJPEGLCJVRWLW-QFIPXVFZSA-N 0 0 428.410 4.892 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)sc2c1CCCC2 ZINC000000652851 557129434 /nfs/dbraw/zinc/12/94/34/557129434.db2.gz JOOVCSLOQOUPKX-UHFFFAOYSA-N 0 0 425.453 4.666 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(CCOc2ccccc2)CC1 ZINC000023248945 557133643 /nfs/dbraw/zinc/13/36/43/557133643.db2.gz VMGBRJDZFDMXIA-QFIPXVFZSA-N 0 0 445.563 4.503 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000000694592 557137428 /nfs/dbraw/zinc/13/74/28/557137428.db2.gz STUBLAZOPGIPSZ-UHFFFAOYSA-N 0 0 443.595 4.964 50 0 IJAARN CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000000696955 557137673 /nfs/dbraw/zinc/13/76/73/557137673.db2.gz MEFXNYLDSPXGNA-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000024226471 557141761 /nfs/dbraw/zinc/14/17/61/557141761.db2.gz SROQNOPNROBCEE-UHFFFAOYSA-N 0 0 433.515 4.814 50 0 IJAARN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1)N1CCCc2ccccc21 ZINC000000719153 557149184 /nfs/dbraw/zinc/14/91/84/557149184.db2.gz RLOIQDFXGWGVPW-UHFFFAOYSA-N 0 0 428.826 4.870 50 0 IJAARN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc2ccccc2c1 ZINC000024607628 557153698 /nfs/dbraw/zinc/15/36/98/557153698.db2.gz OKTMEIYZQYYXFA-UHFFFAOYSA-N 0 0 432.476 4.793 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000024611313 557155145 /nfs/dbraw/zinc/15/51/45/557155145.db2.gz YRDPTAJLMABPNV-UHFFFAOYSA-N 0 0 428.598 4.607 50 0 IJAARN CCCCn1c(SCC(=O)N(C)Cc2ccsc2)nc2sc(C)c(C)c2c1=O ZINC000011513291 557156513 /nfs/dbraw/zinc/15/65/13/557156513.db2.gz MKPBEJAYBCUPFB-UHFFFAOYSA-N 0 0 435.640 4.687 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206789913 557163548 /nfs/dbraw/zinc/16/35/48/557163548.db2.gz HMJFPVFRWGIUCA-FQEVSTJZSA-N 0 0 440.469 4.768 50 0 IJAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2ccccc2F)c(C)c1 ZINC000000738987 557166051 /nfs/dbraw/zinc/16/60/51/557166051.db2.gz CRXWROGZCVHVLI-UHFFFAOYSA-N 0 0 436.531 4.636 50 0 IJAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994931 557169157 /nfs/dbraw/zinc/16/91/57/557169157.db2.gz MCAYTSVSYHPAFL-OAQYLSRUSA-N 0 0 441.940 4.779 50 0 IJAARN Cc1nc2cc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)cc4)c3)ccc2o1 ZINC000024837386 557172291 /nfs/dbraw/zinc/17/22/91/557172291.db2.gz TZLXSJGFECHYLZ-UHFFFAOYSA-N 0 0 435.505 4.806 50 0 IJAARN CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(COc2ccc(C)cc2)o1 ZINC000024839059 557172939 /nfs/dbraw/zinc/17/29/39/557172939.db2.gz NPTIVVUFSPINMP-UHFFFAOYSA-N 0 0 437.521 4.517 50 0 IJAARN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000000780540 557176079 /nfs/dbraw/zinc/17/60/79/557176079.db2.gz RNVWCYNOEWJPIV-SIBVEZHUSA-N 0 0 430.573 4.994 50 0 IJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000024876652 557176224 /nfs/dbraw/zinc/17/62/24/557176224.db2.gz CYHMJFMMCWUZKA-INIZCTEOSA-N 0 0 444.457 4.583 50 0 IJAARN O=C(c1cccc2ccccc21)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000000782979 557177185 /nfs/dbraw/zinc/17/71/85/557177185.db2.gz WNTMXCSEXOVBDY-UHFFFAOYSA-N 0 0 434.539 4.956 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000024926804 557180254 /nfs/dbraw/zinc/18/02/54/557180254.db2.gz IFKNQTXNZYAMDJ-UHFFFAOYSA-N 0 0 443.396 4.822 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010970608 557182174 /nfs/dbraw/zinc/18/21/74/557182174.db2.gz AFCHNLBRKKWSQM-UHFFFAOYSA-N 0 0 429.929 4.561 50 0 IJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000000786351 557183092 /nfs/dbraw/zinc/18/30/92/557183092.db2.gz ONSUOQLUWLGIIV-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1 ZINC000024979972 557185220 /nfs/dbraw/zinc/18/52/20/557185220.db2.gz FFUNGKUPJLWUSC-UHFFFAOYSA-N 0 0 439.518 4.712 50 0 IJAARN COc1cccc(NC(=O)[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984893 557186154 /nfs/dbraw/zinc/18/61/54/557186154.db2.gz NAVMWSPOZJOVBZ-KBMIEXCESA-N 0 0 426.520 4.912 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000024989343 557187345 /nfs/dbraw/zinc/18/73/45/557187345.db2.gz GJWNZHCJSYEVBX-GOTSBHOMSA-N 0 0 443.591 4.611 50 0 IJAARN Cn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCc1ccccc1F ZINC000009582431 557190431 /nfs/dbraw/zinc/19/04/31/557190431.db2.gz QKKUENZBUFMZLD-UHFFFAOYSA-N 0 0 439.343 4.526 50 0 IJAARN OCCCc1nc2n(n1)[C@H](c1cccc(Cl)c1)CC(c1ccc(Br)cc1)=N2 ZINC000100869022 557193424 /nfs/dbraw/zinc/19/34/24/557193424.db2.gz LGYNJJUYBXYEMY-SFHVURJKSA-N 0 0 445.748 4.675 50 0 IJAARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100872490 557193887 /nfs/dbraw/zinc/19/38/87/557193887.db2.gz YUALEEAIYOYREP-JZJYNLBNSA-N 0 0 425.735 4.506 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1OCC ZINC000010972251 557197747 /nfs/dbraw/zinc/19/77/47/557197747.db2.gz WLBLBUFDKGZXPM-UHFFFAOYSA-N 0 0 426.513 4.508 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317076 557198877 /nfs/dbraw/zinc/19/88/77/557198877.db2.gz LOTSJLXLUKDEAC-GOSISDBHSA-N 0 0 426.580 4.723 50 0 IJAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1 ZINC000025317709 557203414 /nfs/dbraw/zinc/20/34/14/557203414.db2.gz KJQITZYRAHCOPI-UHFFFAOYSA-N 0 0 430.894 4.554 50 0 IJAARN CC1(C)CC(=O)C(C(c2ccc(C(F)(F)F)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100950262 557203726 /nfs/dbraw/zinc/20/37/26/557203726.db2.gz UYMNLYHWCJGYEP-UHFFFAOYSA-N 0 0 436.470 4.938 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000218525238 557205788 /nfs/dbraw/zinc/20/57/88/557205788.db2.gz QKSKIYRKQRXQTD-SFHVURJKSA-N 0 0 425.916 4.921 50 0 IJAARN CCc1cccc(CC)c1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621122 557208575 /nfs/dbraw/zinc/20/85/75/557208575.db2.gz HNILOWHGTIDWBZ-VWLOTQADSA-N 0 0 440.547 4.773 50 0 IJAARN COCc1ccc(C(=O)NC[C@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)o1 ZINC000014959639 557223159 /nfs/dbraw/zinc/22/31/59/557223159.db2.gz JRLLQUOYIXCERF-LJQANCHMSA-N 0 0 447.409 4.725 50 0 IJAARN CC(C)(C)c1ccc(OCc2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 ZINC000025761852 557224810 /nfs/dbraw/zinc/22/48/10/557224810.db2.gz HGSTTYMEHDLTEH-UHFFFAOYSA-N 0 0 438.597 4.569 50 0 IJAARN COc1ccc2nc(C)c(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)cc2c1 ZINC000025802022 557226824 /nfs/dbraw/zinc/22/68/24/557226824.db2.gz ZWNJLEWKGUMNHW-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)n[nH]1 ZINC000011657863 557227325 /nfs/dbraw/zinc/22/73/25/557227325.db2.gz HXQBYTJRWIROKB-JOCHJYFZSA-N 0 0 427.533 4.736 50 0 IJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c12 ZINC000025845990 557228468 /nfs/dbraw/zinc/22/84/68/557228468.db2.gz BUBAXKBAOUWGEK-UHFFFAOYSA-N 0 0 427.464 4.687 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 ZINC000011647092 557231301 /nfs/dbraw/zinc/23/13/01/557231301.db2.gz LMGNBSSAZKKODJ-UHFFFAOYSA-N 0 0 429.476 4.569 50 0 IJAARN COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1 ZINC000011693337 557232270 /nfs/dbraw/zinc/23/22/70/557232270.db2.gz OOIOZLLOCHYEJC-UHFFFAOYSA-N 0 0 432.307 4.645 50 0 IJAARN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000026009513 557232256 /nfs/dbraw/zinc/23/22/56/557232256.db2.gz CSVWFEIANFLWFP-UHFFFAOYSA-N 0 0 439.078 4.666 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nccn2-c2cccc(Cl)c2)cc1 ZINC000026047986 557232917 /nfs/dbraw/zinc/23/29/17/557232917.db2.gz CSIQRXRIJAYZLK-OAHLLOKOSA-N 0 0 427.957 4.568 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl ZINC000098072927 557233288 /nfs/dbraw/zinc/23/32/88/557233288.db2.gz RLXSGBRXYOEFLJ-UHFFFAOYSA-N 0 0 444.656 4.931 50 0 IJAARN O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)C(F)(F)F ZINC000018054950 557234015 /nfs/dbraw/zinc/23/40/15/557234015.db2.gz VGSSUGVTWKIAMW-UHFFFAOYSA-N 0 0 439.362 4.701 50 0 IJAARN C[C@@H](Sc1nc2ccsc2c(=O)n1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000026104713 557234482 /nfs/dbraw/zinc/23/44/82/557234482.db2.gz PRXCKVHWFPXSMO-MRVPVSSYSA-N 0 0 447.891 4.787 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)c12 ZINC000026122711 557235594 /nfs/dbraw/zinc/23/55/94/557235594.db2.gz AVGJCOPEJWBZTF-UHFFFAOYSA-N 0 0 433.537 4.711 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000011001361 557237752 /nfs/dbraw/zinc/23/77/52/557237752.db2.gz DWWGUGQTLABUCX-MRXNPFEDSA-N 0 0 429.476 4.912 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)s1 ZINC000026394774 557240438 /nfs/dbraw/zinc/24/04/38/557240438.db2.gz IMQLTUNUHDPAMP-UHFFFAOYSA-N 0 0 446.572 4.591 50 0 IJAARN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc4ccc(OCC)cc4s3)C2=O)cc1 ZINC000100113125 557240708 /nfs/dbraw/zinc/24/07/08/557240708.db2.gz SDFIPMIGUKEEOE-GOSISDBHSA-N 0 0 428.535 4.518 50 0 IJAARN CCCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(Cl)cc3)nn2c1=O ZINC000026531737 557243257 /nfs/dbraw/zinc/24/32/57/557243257.db2.gz HOZRFHPUHNUQTQ-RGEXLXHISA-N 0 0 425.941 4.588 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000032951356 557245562 /nfs/dbraw/zinc/24/55/62/557245562.db2.gz PYQBPVHUPAYDNE-UHFFFAOYSA-N 0 0 428.492 4.702 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000018190305 557246419 /nfs/dbraw/zinc/24/64/19/557246419.db2.gz JINUOYVBKLCCIQ-QHCPKHFHSA-N 0 0 446.894 4.590 50 0 IJAARN COc1ccc([C@@H](NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C(C)C)cc1OC ZINC000604418548 557250207 /nfs/dbraw/zinc/25/02/07/557250207.db2.gz QCFPVJOLEOUZFL-QHCPKHFHSA-N 0 0 436.556 4.866 50 0 IJAARN COc1ccc([C@H](NC(=O)NCC2(Cc3nnc4ccccn43)CCCCC2)C(C)C)cc1 ZINC000604418606 557250787 /nfs/dbraw/zinc/25/07/87/557250787.db2.gz GMUJZEKBCBFKBT-XMMPIXPASA-N 0 0 449.599 4.927 50 0 IJAARN O=C(CSc1ncnc2ccsc21)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000026960456 557252429 /nfs/dbraw/zinc/25/24/29/557252429.db2.gz UZERXLQJEHBWQI-CQSZACIVSA-N 0 0 426.548 4.816 50 0 IJAARN COc1ccc(Cn2nccc2NC(=O)COc2ccccc2-c2ccccc2)c(OC)c1 ZINC000018234869 557253690 /nfs/dbraw/zinc/25/36/90/557253690.db2.gz NEGFUCOODFYMBH-UHFFFAOYSA-N 0 0 443.503 4.633 50 0 IJAARN COc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O ZINC000000812749 557253773 /nfs/dbraw/zinc/25/37/73/557253773.db2.gz GXRWQLZPQJWUGQ-UHFFFAOYSA-N 0 0 433.533 4.698 50 0 IJAARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101096890 557254506 /nfs/dbraw/zinc/25/45/06/557254506.db2.gz WTGWVVNWSIZOJE-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000018256518 557254683 /nfs/dbraw/zinc/25/46/83/557254683.db2.gz GBHCHIQUVULVOR-GFCCVEGCSA-N 0 0 442.821 4.596 50 0 IJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000027344537 557260372 /nfs/dbraw/zinc/26/03/72/557260372.db2.gz GFGFPPWKHHDIMN-GOSISDBHSA-N 0 0 431.319 4.667 50 0 IJAARN COc1cccc(CN(C)C(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)c1OC ZINC000027482801 557262764 /nfs/dbraw/zinc/26/27/64/557262764.db2.gz LRXMMCGVEJRKFZ-UHFFFAOYSA-N 0 0 445.519 4.511 50 0 IJAARN Cc1ccc(NC(=O)c2cc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)ccc2N2CCCCC2)cc1 ZINC000100630510 557266636 /nfs/dbraw/zinc/26/66/36/557266636.db2.gz DDYQRCVQZBIQJJ-SZPZYZBQSA-N 0 0 443.547 4.693 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5Cl)ccc4[nH]cc-3c2=O)cc1 ZINC000101281919 557266935 /nfs/dbraw/zinc/26/69/35/557266935.db2.gz JSLKFXSWJUZNQF-UHFFFAOYSA-N 0 0 442.906 4.710 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000027664590 557270622 /nfs/dbraw/zinc/27/06/22/557270622.db2.gz XSJZDJZSMCBSGH-FQEVSTJZSA-N 0 0 432.407 4.603 50 0 IJAARN O=C(c1cccc2ccccc21)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000027740447 557271930 /nfs/dbraw/zinc/27/19/30/557271930.db2.gz AKPUUTATSBHOJG-GOSISDBHSA-N 0 0 448.371 4.976 50 0 IJAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1cccs1)c1ccccn1 ZINC000027794868 557274744 /nfs/dbraw/zinc/27/47/44/557274744.db2.gz FXOUIWZWJHOCAA-UHFFFAOYSA-N 0 0 441.306 4.859 50 0 IJAARN COc1cccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)c1OC ZINC000101032075 557281665 /nfs/dbraw/zinc/28/16/65/557281665.db2.gz HUNRMRVXJJPMKT-HNNXBMFYSA-N 0 0 434.830 4.606 50 0 IJAARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)N2C(CC(=O)NCC(C)C)=CSC2=N1 ZINC000101387049 557282095 /nfs/dbraw/zinc/28/20/95/557282095.db2.gz AVVAFNVOYIQGJQ-NRFANRHFSA-N 0 0 441.597 4.766 50 0 IJAARN CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N12 ZINC000101386802 557282218 /nfs/dbraw/zinc/28/22/18/557282218.db2.gz LDOVZKFQUZWGCY-QVKFZJNVSA-N 0 0 441.597 4.908 50 0 IJAARN CC(C)n1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc2c1=O ZINC000014067039 557295023 /nfs/dbraw/zinc/29/50/23/557295023.db2.gz AOIBEYUJWLFBEN-UHFFFAOYSA-N 0 0 436.581 4.699 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N5C[C@@H](C)C[C@H](C)C5)ccc4[nH]cc-3c2=O)cc1C ZINC000101827848 557299810 /nfs/dbraw/zinc/29/98/10/557299810.db2.gz OUJUDGJFQVBDGQ-HOTGVXAUSA-N 0 0 428.536 4.554 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccco1 ZINC000101837225 557303216 /nfs/dbraw/zinc/30/32/16/557303216.db2.gz KEWSDESKCWJGFH-KRWDZBQOSA-N 0 0 435.846 4.972 50 0 IJAARN CCOC(=O)c1cc(C(C)C)n(-c2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000023325381 557304174 /nfs/dbraw/zinc/30/41/74/557304174.db2.gz YWTUVYSNFAMLKK-UHFFFAOYSA-N 0 0 439.943 4.798 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1 ZINC000101880656 557304966 /nfs/dbraw/zinc/30/49/66/557304966.db2.gz FITSSYCZFWBJPI-UHFFFAOYSA-N 0 0 430.483 4.588 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(Br)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101946385 557308348 /nfs/dbraw/zinc/30/83/48/557308348.db2.gz DZASKCWAVCWHDZ-KRWDZBQOSA-N 0 0 440.341 4.924 50 0 IJAARN O=C(NC1CC1)[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000084544628 557309905 /nfs/dbraw/zinc/30/99/05/557309905.db2.gz POCANYUJMUGOJT-HHHXNRCGSA-N 0 0 436.559 4.708 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(OC)c1 ZINC000032961067 557319545 /nfs/dbraw/zinc/31/95/45/557319545.db2.gz AEGGFHVPAJGHSS-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN CCc1ccc([C@@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NC)cc1 ZINC000032977674 557319974 /nfs/dbraw/zinc/31/99/74/557319974.db2.gz LASSSNRHIYENSQ-XMMPIXPASA-N 0 0 425.536 4.778 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085649213 557322004 /nfs/dbraw/zinc/32/20/04/557322004.db2.gz GKVYUHIVRPNRNF-UHFFFAOYSA-N 0 0 448.542 4.604 50 0 IJAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCCc4ccccc4)c3)n2)cc1 ZINC000033130501 557325266 /nfs/dbraw/zinc/32/52/66/557325266.db2.gz RJEVOVPYSMICNM-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN O=C(Nc1cccc(CNc2cc(C(=O)OC3CCCCC3)ccn2)c1)c1ccncc1 ZINC000072307838 557325513 /nfs/dbraw/zinc/32/55/13/557325513.db2.gz IVZUFEGWISHDAJ-UHFFFAOYSA-N 0 0 430.508 4.831 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)c1 ZINC000033265073 557328310 /nfs/dbraw/zinc/32/83/10/557328310.db2.gz LBZGYCLBAJOQDG-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000014254927 557330624 /nfs/dbraw/zinc/33/06/24/557330624.db2.gz NXTMCQLONGJAQS-UHFFFAOYSA-N 0 0 448.548 4.858 50 0 IJAARN O=C(COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCc2sccc2C1 ZINC000014307893 557334243 /nfs/dbraw/zinc/33/42/43/557334243.db2.gz PPFDMSZHPIIQSI-UHFFFAOYSA-N 0 0 444.512 4.812 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC[C@@H](c5nc(C6CC6)no5)C4)cc3)o2)c1 ZINC000328592407 557337971 /nfs/dbraw/zinc/33/79/71/557337971.db2.gz BYBTWWHKXVYHEQ-HXUWFJFHSA-N 0 0 441.491 4.602 50 0 IJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1 ZINC000023328842 557338420 /nfs/dbraw/zinc/33/84/20/557338420.db2.gz PJJLVSBYBJFQTN-VWLOTQADSA-N 0 0 430.596 4.573 50 0 IJAARN CCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023329025 557338711 /nfs/dbraw/zinc/33/87/11/557338711.db2.gz OBVCUZXNLHLWKZ-UHFFFAOYSA-N 0 0 429.351 4.828 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1Cl ZINC000102529268 557340483 /nfs/dbraw/zinc/34/04/83/557340483.db2.gz PUAGAWFCDUCCCN-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000102530543 557342545 /nfs/dbraw/zinc/34/25/45/557342545.db2.gz HSDJHFVZDGCCGB-UHFFFAOYSA-N 0 0 433.895 4.845 50 0 IJAARN O=C(c1cccs1)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611263 557345415 /nfs/dbraw/zinc/34/54/15/557345415.db2.gz SXMXCJKIWNBHSK-UHFFFAOYSA-N 0 0 429.299 4.663 50 0 IJAARN COc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000023332764 557346115 /nfs/dbraw/zinc/34/61/15/557346115.db2.gz KFPVBNMIVMAEDZ-SANMLTNESA-N 0 0 430.548 4.560 50 0 IJAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)c2c1 ZINC000023333607 557347399 /nfs/dbraw/zinc/34/73/99/557347399.db2.gz MTJJIRWFACIPGZ-UHFFFAOYSA-N 0 0 438.471 4.943 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N(CC)CC)cc2)n1 ZINC000023336235 557348863 /nfs/dbraw/zinc/34/88/63/557348863.db2.gz RBSWTBQLTGTHDA-UHFFFAOYSA-N 0 0 425.916 4.851 50 0 IJAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220706103 557364827 /nfs/dbraw/zinc/36/48/27/557364827.db2.gz HYUOGBLUTYTVJU-CQSZACIVSA-N 0 0 438.484 4.687 50 0 IJAARN Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1 ZINC000023564246 557366848 /nfs/dbraw/zinc/36/68/48/557366848.db2.gz JUIHKDCZMCJGTF-GOSISDBHSA-N 0 0 440.565 4.642 50 0 IJAARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c(OC)c1 ZINC000102736150 557373775 /nfs/dbraw/zinc/37/37/75/557373775.db2.gz HEFZQNHGJHJKDW-YEJXKQKISA-N 0 0 436.443 4.855 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102763035 557380868 /nfs/dbraw/zinc/38/08/68/557380868.db2.gz KRABEFAWQGNOTJ-PCCBWWKXSA-N 0 0 440.833 4.669 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@H]3C2=O)c(C)c1 ZINC000102763899 557381364 /nfs/dbraw/zinc/38/13/64/557381364.db2.gz MJRFWFVTWDACHE-XPWALMASSA-N 0 0 434.442 4.633 50 0 IJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004903506 557403100 /nfs/dbraw/zinc/40/31/00/557403100.db2.gz ANWBBFYQFQXKPO-QFIPXVFZSA-N 0 0 425.532 4.940 50 0 IJAARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)n1 ZINC000033511728 557403540 /nfs/dbraw/zinc/40/35/40/557403540.db2.gz SJAPOSLFEOXHTQ-SFHVURJKSA-N 0 0 440.607 4.934 50 0 IJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)o1 ZINC000104280122 557453876 /nfs/dbraw/zinc/45/38/76/557453876.db2.gz JYZDKWBDHJAOHG-KKUMJFAQSA-N 0 0 427.501 4.807 50 0 IJAARN CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000105049089 557473477 /nfs/dbraw/zinc/47/34/77/557473477.db2.gz ZDELSINMUSOPBW-UKDVSSAZSA-N 0 0 430.548 4.965 50 0 IJAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000014864178 557507726 /nfs/dbraw/zinc/50/77/26/557507726.db2.gz HGOPKRRBUBFGGW-UHFFFAOYSA-N 0 0 436.961 4.554 50 0 IJAARN CCOc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)cc1OC ZINC000046914140 557513559 /nfs/dbraw/zinc/51/35/59/557513559.db2.gz TZYHNGHNRTYNKY-UHFFFAOYSA-N 0 0 441.285 4.964 50 0 IJAARN CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c1C ZINC000036613571 557516879 /nfs/dbraw/zinc/51/68/79/557516879.db2.gz JDGQCYNMSLBTAT-UHFFFAOYSA-N 0 0 430.556 4.532 50 0 IJAARN Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3cccnc32)c1 ZINC000047146524 557517796 /nfs/dbraw/zinc/51/77/96/557517796.db2.gz AJMORHPNXDVQLL-UHFFFAOYSA-N 0 0 448.592 4.564 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1Cc1ccccc1 ZINC000012040666 557525380 /nfs/dbraw/zinc/52/53/80/557525380.db2.gz KDAGEHUNQNXNMA-UHFFFAOYSA-N 0 0 431.460 4.535 50 0 IJAARN Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)cc1 ZINC000012080446 557527659 /nfs/dbraw/zinc/52/76/59/557527659.db2.gz XKTRNUUAOVLLAT-ISKFKSNPSA-N 0 0 433.533 4.609 50 0 IJAARN COc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)CCc3ccccc3)n2)c1 ZINC000106571497 557530108 /nfs/dbraw/zinc/53/01/08/557530108.db2.gz QLSAQRDDGXOHNI-UHFFFAOYSA-N 0 0 431.492 4.542 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 ZINC000211131868 557534263 /nfs/dbraw/zinc/53/42/63/557534263.db2.gz UJLMJSQENWIBHA-UHFFFAOYSA-N 0 0 430.489 4.988 50 0 IJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000211105538 557534362 /nfs/dbraw/zinc/53/43/62/557534362.db2.gz XNPGRWCQDYERNJ-OAQYLSRUSA-N 0 0 429.538 4.633 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000044803752 557537386 /nfs/dbraw/zinc/53/73/86/557537386.db2.gz FVNWRRLLYWWUII-GOSISDBHSA-N 0 0 438.959 4.605 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492443 557543044 /nfs/dbraw/zinc/54/30/44/557543044.db2.gz YVPCDJJNWZBXTP-NHCUHLMSSA-N 0 0 432.927 4.783 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108492446 557543087 /nfs/dbraw/zinc/54/30/87/557543087.db2.gz YVPCDJJNWZBXTP-LEWJYISDSA-N 0 0 432.927 4.783 50 0 IJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)OC(C)(C)C)[C@H](C)OC(C)(C)C ZINC000109012227 557545248 /nfs/dbraw/zinc/54/52/48/557545248.db2.gz LNMFVVSPTMXWJC-ZQIUZPCESA-N 0 0 430.010 4.851 50 0 IJAARN CCOc1ccc(CCNc2nc3ccccc3nc2C(=O)OCC(C)C)cc1OCC ZINC000045901683 557546749 /nfs/dbraw/zinc/54/67/49/557546749.db2.gz CRCTYSYLJLTTAI-UHFFFAOYSA-N 0 0 437.540 4.895 50 0 IJAARN COc1ccc(CC(=O)Nc2cc3c(cc2Sc2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000045940940 557549320 /nfs/dbraw/zinc/54/93/20/557549320.db2.gz UUUHYOVUJNIRLC-UHFFFAOYSA-N 0 0 447.560 4.526 50 0 IJAARN COc1ccccc1C(=O)Nc1cc2c(cc1Sc1ccc(C)cc1)n(C)c(=O)n2C ZINC000045940929 557549373 /nfs/dbraw/zinc/54/93/73/557549373.db2.gz PFGZEWGQIMMFJS-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941934 557551499 /nfs/dbraw/zinc/55/14/99/557551499.db2.gz FKRLOXRZPAXOLU-HSZRJFAPSA-N 0 0 429.472 4.535 50 0 IJAARN O=C(Cn1cnc2c(sc3cccc(Cl)c32)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000045942920 557552209 /nfs/dbraw/zinc/55/22/09/557552209.db2.gz HKPIBOITVZIVBD-UHFFFAOYSA-N 0 0 437.830 4.922 50 0 IJAARN COc1cccc(CNC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000045943379 557552381 /nfs/dbraw/zinc/55/23/81/557552381.db2.gz ZMSWMLULUUWAHZ-UHFFFAOYSA-N 0 0 433.327 4.521 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)cc1 ZINC000045961074 557555043 /nfs/dbraw/zinc/55/50/43/557555043.db2.gz JGXDXJKNOHFMIU-UHFFFAOYSA-N 0 0 426.538 4.894 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)cc1 ZINC000045961094 557555060 /nfs/dbraw/zinc/55/50/60/557555060.db2.gz BQLFPKYDZDJQOW-UHFFFAOYSA-N 0 0 442.537 4.595 50 0 IJAARN COc1cccc(CN(C)C(=O)COc2cc3sc(C)nc3c3sccc32)c1OC ZINC000039477774 557655956 /nfs/dbraw/zinc/65/59/56/557655956.db2.gz BASSPWYGCJKLHF-UHFFFAOYSA-N 0 0 442.562 4.874 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946465 557691740 /nfs/dbraw/zinc/69/17/40/557691740.db2.gz XCUZCHZYRSYAMY-GFCCVEGCSA-N 0 0 433.254 4.678 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccn2C2CC2)cc1 ZINC000029074945 557732177 /nfs/dbraw/zinc/73/21/77/557732177.db2.gz OQIUPGPMEAPYFK-OAHLLOKOSA-N 0 0 436.537 4.598 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225508892 557732191 /nfs/dbraw/zinc/73/21/91/557732191.db2.gz ZYWNOOSSVAHFIT-RUZDIDTESA-N 0 0 437.572 4.898 50 0 IJAARN Cc1cc([C@](C)(O)CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)c(C)o1 ZINC000225522342 557735072 /nfs/dbraw/zinc/73/50/72/557735072.db2.gz XLGCDWMWXIDTFL-MRXNPFEDSA-N 0 0 435.240 4.707 50 0 IJAARN Cc1cc([C@@](C)(O)CNC(=O)Nc2cc(C(F)(F)F)ccc2Br)c(C)o1 ZINC000225522312 557735088 /nfs/dbraw/zinc/73/50/88/557735088.db2.gz XLGCDWMWXIDTFL-INIZCTEOSA-N 0 0 435.240 4.707 50 0 IJAARN O=C(COc1cccc(-c2noc(COc3ccccc3)n2)c1)Nc1ccccc1Cl ZINC000040488338 557749705 /nfs/dbraw/zinc/74/97/05/557749705.db2.gz LUVCUIAIGUZEGG-UHFFFAOYSA-N 0 0 435.867 4.987 50 0 IJAARN CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)NC2CC2)Cc2ccco2)n1 ZINC000096290171 557773994 /nfs/dbraw/zinc/77/39/94/557773994.db2.gz TXTPYLFIJNGFBT-UHFFFAOYSA-N 0 0 433.339 4.767 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000000843533 557811283 /nfs/dbraw/zinc/81/12/83/557811283.db2.gz VZADEPCNSULOFT-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)[C@@H]1CCOC(C)(C)C1)C2 ZINC000014993244 557838477 /nfs/dbraw/zinc/83/84/77/557838477.db2.gz PGPOYSKOQIMXRJ-SJLPKXTDSA-N 0 0 436.577 4.897 50 0 IJAARN COc1ccc(CNC(=O)Cc2sc(SC(F)(F)F)nc2C)cc1OC(F)F ZINC000241262047 557846159 /nfs/dbraw/zinc/84/61/59/557846159.db2.gz LAWZCSSJNMQOHG-UHFFFAOYSA-N 0 0 442.431 4.532 50 0 IJAARN O=C([C@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000034695457 557849155 /nfs/dbraw/zinc/84/91/55/557849155.db2.gz MRUAPBOEXVYBBQ-OAQYLSRUSA-N 0 0 430.470 4.540 50 0 IJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)c1 ZINC000000884155 557854547 /nfs/dbraw/zinc/85/45/47/557854547.db2.gz DOUWMMHWJRVWAO-WOJBJXKFSA-N 0 0 444.457 4.525 50 0 IJAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000866912 562919468 /nfs/dbraw/zinc/91/94/68/562919468.db2.gz QWEBPXLVJBQLNB-ZYHUDNBSSA-N 0 0 430.839 4.781 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cc(Cl)ccc2C)cc1 ZINC000000979201 562919884 /nfs/dbraw/zinc/91/98/84/562919884.db2.gz WVKXFCCKIKSZJI-UHFFFAOYSA-N 0 0 434.989 4.555 50 0 IJAARN COc1ccc(CCNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC ZINC000001026404 562920049 /nfs/dbraw/zinc/92/00/49/562920049.db2.gz LRZLGWDFUGZGAT-UHFFFAOYSA-N 0 0 439.562 4.597 50 0 IJAARN COc1cc(Cl)c(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3C)cc1Cl ZINC000001080562 562920399 /nfs/dbraw/zinc/92/03/99/562920399.db2.gz WSBMBKIVTRISPX-UHFFFAOYSA-N 0 0 427.353 4.621 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1)N1CCOCC1 ZINC000001389658 562921561 /nfs/dbraw/zinc/92/15/61/562921561.db2.gz WCDMIBVHWWZUED-UHFFFAOYSA-N 0 0 436.726 4.972 50 0 IJAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000002348226 562927078 /nfs/dbraw/zinc/92/70/78/562927078.db2.gz NREFQBVXBYJUDS-HSZRJFAPSA-N 0 0 428.561 4.593 50 0 IJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 ZINC000002419291 562927546 /nfs/dbraw/zinc/92/75/46/562927546.db2.gz IGIFPMWVMIRIMN-UHFFFAOYSA-N 0 0 441.560 4.639 50 0 IJAARN COc1ccc(CCNc2nc3c(-c4cccc(C)c4)nnn3c3ccccc32)cc1OC ZINC000002694171 562929874 /nfs/dbraw/zinc/92/98/74/562929874.db2.gz BAYABUFJZJKJLA-UHFFFAOYSA-N 0 0 439.519 4.925 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)Cc1ccccc1)CC2 ZINC000003006401 562931532 /nfs/dbraw/zinc/93/15/32/562931532.db2.gz XCVUPUSNCXUXRO-HSZRJFAPSA-N 0 0 435.495 4.590 50 0 IJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2c(F)cccc2Cl)c3C)cc1 ZINC000003045359 562932164 /nfs/dbraw/zinc/93/21/64/562932164.db2.gz KFPVSHQEAVXKML-UHFFFAOYSA-N 0 0 436.918 4.968 50 0 IJAARN O=C(c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)N1CCOCC1 ZINC000003056316 562932342 /nfs/dbraw/zinc/93/23/42/562932342.db2.gz AAMHSSOJGXBYDL-UHFFFAOYSA-N 0 0 448.519 4.610 50 0 IJAARN O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003304354 562933971 /nfs/dbraw/zinc/93/39/71/562933971.db2.gz YXWFPBWAZYOZHU-UHFFFAOYSA-N 0 0 447.607 4.689 50 0 aggregator IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000003423422 562935656 /nfs/dbraw/zinc/93/56/56/562935656.db2.gz NMQGXUQMLUKTNT-UHFFFAOYSA-N 0 0 433.986 4.701 50 0 IJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)cc2)nc1C ZINC000003643176 562937237 /nfs/dbraw/zinc/93/72/37/562937237.db2.gz BANRPVHJDYCESA-IBGZPJMESA-N 0 0 430.485 4.819 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587836 562950490 /nfs/dbraw/zinc/95/04/90/562950490.db2.gz FSPSIOQGYZMBEG-UHFFFAOYSA-N 0 0 449.532 4.515 50 0 aggregator IJAARN Cc1cccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000008589948 562951399 /nfs/dbraw/zinc/95/13/99/562951399.db2.gz LMYHXMQZZCQRRU-JOCHJYFZSA-N 0 0 440.482 4.715 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000008589974 562951424 /nfs/dbraw/zinc/95/14/24/562951424.db2.gz NFHRWJMXNCWJAE-JOCHJYFZSA-N 0 0 430.342 4.673 50 0 IJAARN COc1cc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc(OC)c1 ZINC000008592614 562952399 /nfs/dbraw/zinc/95/23/99/562952399.db2.gz FXJGSNNVFDHFEX-XMMPIXPASA-N 0 0 430.504 4.738 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(C)cc2)c1S(=O)(=O)c1ccccc1 ZINC000008593945 562952935 /nfs/dbraw/zinc/95/29/35/562952935.db2.gz ZUYDVSOOZQUDPM-UHFFFAOYSA-N 0 0 432.501 4.541 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccccc3)[nH]2)cc1OC ZINC000008595048 562953215 /nfs/dbraw/zinc/95/32/15/562953215.db2.gz OVBPRVLRVQACAY-UHFFFAOYSA-N 0 0 437.565 4.912 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCc1ccc(Cl)cc1 ZINC000008597562 562954033 /nfs/dbraw/zinc/95/40/33/562954033.db2.gz QXDIFPHJXXCPKV-MUUNZHRXSA-N 0 0 437.348 4.522 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000008598349 562954269 /nfs/dbraw/zinc/95/42/69/562954269.db2.gz RNABMFPSPFHIDP-UHFFFAOYSA-N 0 0 430.508 4.869 50 0 IJAARN O=C(c1ccc2c(c1)OCO2)c1cn(Cc2ccc(Cl)cc2)c2ccc(F)cc2c1=O ZINC000008598506 562954315 /nfs/dbraw/zinc/95/43/15/562954315.db2.gz FEKFMAJMEKVPQA-UHFFFAOYSA-N 0 0 435.838 4.802 50 0 IJAARN COc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000008599651 562954804 /nfs/dbraw/zinc/95/48/04/562954804.db2.gz VKVJNGHQRHBFPY-RUZDIDTESA-N 0 0 442.515 4.982 50 0 IJAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000008601578 562955425 /nfs/dbraw/zinc/95/54/25/562955425.db2.gz OUJAOLQKWQJEHV-SFHVURJKSA-N 0 0 437.908 4.718 50 0 IJAARN O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008601613 562955503 /nfs/dbraw/zinc/95/55/03/562955503.db2.gz GPWCDVBNCCORIC-UHFFFAOYSA-N 0 0 425.460 4.972 50 0 IJAARN Cc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000008603849 562956100 /nfs/dbraw/zinc/95/61/00/562956100.db2.gz AVEIDQDZOJOKNY-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc2ccco2)cc1 ZINC000008604928 562956509 /nfs/dbraw/zinc/95/65/09/562956509.db2.gz KELQRFVAAVZPQQ-UHFFFAOYSA-N 0 0 445.500 4.823 50 0 IJAARN CC(C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000008605073 562956582 /nfs/dbraw/zinc/95/65/82/562956582.db2.gz RVJDVTNRTMXNGU-UHFFFAOYSA-N 0 0 444.000 4.781 50 0 IJAARN CCCOc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000008606530 562956994 /nfs/dbraw/zinc/95/69/94/562956994.db2.gz TXNXNIRBMXLVCB-DEOSSOPVSA-N 0 0 429.476 4.910 50 0 aggregator IJAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008606645 562957084 /nfs/dbraw/zinc/95/70/84/562957084.db2.gz ZLBIJHLTFLOTDR-RUZDIDTESA-N 0 0 440.503 4.712 50 0 IJAARN COc1cc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc(OC)c1OC ZINC000008611154 562958404 /nfs/dbraw/zinc/95/84/04/562958404.db2.gz UXLFRYWTGZIGCR-UHFFFAOYSA-N 0 0 446.503 4.569 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)Nc2cccc(C(C)=O)c2)c2nc(C)cc(C)c12 ZINC000008611544 562958608 /nfs/dbraw/zinc/95/86/08/562958608.db2.gz ABSLMIIRZUSQSJ-UHFFFAOYSA-N 0 0 442.519 4.955 50 0 IJAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2c(C)c1 ZINC000008612048 562958935 /nfs/dbraw/zinc/95/89/35/562958935.db2.gz YLXCMBYLIQQNGU-INIZCTEOSA-N 0 0 440.565 4.651 50 0 aggregator IJAARN O=C(NCc1ccco1)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 ZINC000008612251 562959077 /nfs/dbraw/zinc/95/90/77/562959077.db2.gz FFYPRFCNTBFEBM-UHFFFAOYSA-N 0 0 448.500 4.509 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cccc(C)c4)nc23)cc1 ZINC000009118085 562967325 /nfs/dbraw/zinc/96/73/25/562967325.db2.gz MJOVEWAOMFFJQT-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN COc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1 ZINC000009274761 562968791 /nfs/dbraw/zinc/96/87/91/562968791.db2.gz QETRQNGMXMPCNW-UHFFFAOYSA-N 0 0 431.442 4.686 50 0 IJAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000009465977 562971608 /nfs/dbraw/zinc/97/16/08/562971608.db2.gz IJNQLPFYDYWLQX-DFBJGRDBSA-N 0 0 426.291 4.782 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 ZINC000009573426 562973387 /nfs/dbraw/zinc/97/33/87/562973387.db2.gz IHZQREXWBUDTMP-UHFFFAOYSA-N 0 0 444.333 4.983 50 0 IJAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1Cl ZINC000009673230 562975244 /nfs/dbraw/zinc/97/52/44/562975244.db2.gz LRVHMAQBWLHIEU-PMACEKPBSA-N 0 0 426.925 4.959 50 0 IJAARN O=C(CSc1nc[nH]n1)N1N=C2C(=Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000015973747 563020590 /nfs/dbraw/zinc/02/05/90/563020590.db2.gz LSIJNKFABIXGQN-WLLKLOIBSA-N 0 0 429.549 4.720 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC ZINC000017195657 563021588 /nfs/dbraw/zinc/02/15/88/563021588.db2.gz HMRUWJQEVADTQJ-HXUWFJFHSA-N 0 0 447.557 4.522 50 0 IJAARN Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000019939370 563023389 /nfs/dbraw/zinc/02/33/89/563023389.db2.gz HSDLJQVEXVZPQJ-HSZRJFAPSA-N 0 0 443.469 4.605 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@@H](OCc5ccccn5)C4)n3)CCCC2)cc1 ZINC000012301185 568612928 /nfs/dbraw/zinc/61/29/28/568612928.db2.gz MYDZTWBIOMJHCA-HSZRJFAPSA-N 0 0 432.568 4.814 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948569 568629082 /nfs/dbraw/zinc/62/90/82/568629082.db2.gz UMXPJTVCJPEIAM-UHFFFAOYSA-N 0 0 447.516 4.589 50 0 IJAARN CCCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000086048515 568635260 /nfs/dbraw/zinc/63/52/60/568635260.db2.gz RENVLERDHOAWAH-UHFFFAOYSA-N 0 0 426.948 4.574 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000000920454 568637382 /nfs/dbraw/zinc/63/73/82/568637382.db2.gz ASDCSGJLMQYWQL-UHFFFAOYSA-N 0 0 439.503 4.912 50 0 IJAARN CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958421 568646309 /nfs/dbraw/zinc/64/63/09/568646309.db2.gz RHQUUHOWSSSNTQ-GOEBONIOSA-N 0 0 441.553 4.538 50 0 IJAARN O=c1[nH]c(SCc2nc3ccccc3c(=O)n2-c2ccccc2)nc2cc(Cl)ccc12 ZINC000000973564 568647748 /nfs/dbraw/zinc/64/77/48/568647748.db2.gz IYPDQOLWPJQCCX-UHFFFAOYSA-N 0 0 446.919 4.980 50 0 IJAARN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1ccc2c3c(cccc31)CC2 ZINC000000990058 568649014 /nfs/dbraw/zinc/64/90/14/568649014.db2.gz OSSLGMABIVWQDG-GDLZYMKVSA-N 0 0 433.507 4.946 50 0 IJAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1 ZINC000000995875 568649320 /nfs/dbraw/zinc/64/93/20/568649320.db2.gz AEQROKJJMGBXFZ-UHFFFAOYSA-N 0 0 444.564 4.622 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c1 ZINC000001003097 568650935 /nfs/dbraw/zinc/65/09/35/568650935.db2.gz VCTXPPKLYIGACC-UHFFFAOYSA-N 0 0 436.418 4.681 50 0 IJAARN COc1c(Br)cc([C@H]2Nc3sc(C)c(C)c3C(=O)N2)cc1Br ZINC000001106644 568658993 /nfs/dbraw/zinc/65/89/93/568658993.db2.gz OJMNHYPDBNHYCM-CYBMUJFWSA-N 0 0 446.164 4.753 50 0 IJAARN CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 ZINC000001104434 568660496 /nfs/dbraw/zinc/66/04/96/568660496.db2.gz SJYZGXYCPGJEOB-UHFFFAOYSA-N 0 0 426.476 4.776 50 0 IJAARN COC(=O)C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348204 568731119 /nfs/dbraw/zinc/73/11/19/568731119.db2.gz CDAUSDISIHTTHK-GVNSDVJZSA-N 0 0 446.584 4.746 50 0 IJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N[C@H](C)c1ccncc1 ZINC000005948092 568739312 /nfs/dbraw/zinc/73/93/12/568739312.db2.gz LDPLHBBRACIXCX-OAHLLOKOSA-N 0 0 425.579 4.958 50 0 IJAARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000002057831 568742547 /nfs/dbraw/zinc/74/25/47/568742547.db2.gz DXNQFRZZTTWUBB-IBGZPJMESA-N 0 0 435.307 4.586 50 0 IJAARN CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)cc1 ZINC000002105537 568742759 /nfs/dbraw/zinc/74/27/59/568742759.db2.gz HMMOQKJESANWAR-UHFFFAOYSA-N 0 0 427.497 4.858 50 0 IJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc1c2C ZINC000002112379 568742801 /nfs/dbraw/zinc/74/28/01/568742801.db2.gz BZHNLONGKSMSHE-WXTAPIANSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN CC1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)CC1 ZINC000003257906 568744019 /nfs/dbraw/zinc/74/40/19/568744019.db2.gz XCFGGKGMWPYVMJ-UHFFFAOYSA-N 0 0 426.973 4.938 50 0 IJAARN O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C1c2ccccc2Oc2ccccc21 ZINC000044006705 568745672 /nfs/dbraw/zinc/74/56/72/568745672.db2.gz XQQFFKQWRFEEKT-UHFFFAOYSA-N 0 0 444.506 4.732 50 0 IJAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000044004912 568745682 /nfs/dbraw/zinc/74/56/82/568745682.db2.gz KJSDAJGRGLPKHG-UHFFFAOYSA-N 0 0 436.339 4.676 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3F)c3nc4ccccc4nc32)cc1 ZINC000003313579 568745829 /nfs/dbraw/zinc/74/58/29/568745829.db2.gz QCENESGJSXQHMY-UHFFFAOYSA-N 0 0 439.494 4.576 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)NC(=S)N1c1ccc(F)cc1 ZINC000012554028 568746289 /nfs/dbraw/zinc/74/62/89/568746289.db2.gz ZTNRIMCZPFXIJC-QFIPXVFZSA-N 0 0 433.508 4.880 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003345746 568746531 /nfs/dbraw/zinc/74/65/31/568746531.db2.gz WLBYUDNYNGKAIO-UHFFFAOYSA-N 0 0 445.894 4.590 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccco4)n3CC(C)C)c2C)no1 ZINC000003353421 568746884 /nfs/dbraw/zinc/74/68/84/568746884.db2.gz NLSMRQHHHDXICO-UHFFFAOYSA-N 0 0 439.541 4.873 50 0 IJAARN C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000003358264 568747059 /nfs/dbraw/zinc/74/70/59/568747059.db2.gz MLYSXSFZPIKPID-SNVBAGLBSA-N 0 0 426.350 4.870 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc(Cl)cc1F ZINC000003372593 568748369 /nfs/dbraw/zinc/74/83/69/568748369.db2.gz YTQZIWQULQJIAK-UHFFFAOYSA-N 0 0 443.887 4.561 50 0 IJAARN Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000003486770 568750146 /nfs/dbraw/zinc/75/01/46/568750146.db2.gz ZSYBNSZURNAUJC-OAHLLOKOSA-N 0 0 436.566 4.522 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000003501951 568750332 /nfs/dbraw/zinc/75/03/32/568750332.db2.gz IAZWVBIIVOWSDS-UHFFFAOYSA-N 0 0 433.508 4.623 50 0 IJAARN CCCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3S[C@H](CC)C(=O)N32)cc1 ZINC000003637569 568752200 /nfs/dbraw/zinc/75/22/00/568752200.db2.gz GJMFISPIIIYZSM-UYAOXDASSA-N 0 0 430.570 4.857 50 0 IJAARN COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F ZINC000003662765 568753907 /nfs/dbraw/zinc/75/39/07/568753907.db2.gz MRJVTAIVLCDZQX-MOSHPQCFSA-N 0 0 440.540 4.804 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 ZINC000015393998 568761538 /nfs/dbraw/zinc/76/15/38/568761538.db2.gz ZABPJCGYNDJSKQ-KRWDZBQOSA-N 0 0 444.578 4.596 50 0 IJAARN Cn1c(=N)n(CC(=O)c2ccc(Br)cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157508 568762082 /nfs/dbraw/zinc/76/20/82/568762082.db2.gz DEHDQMOQBSXOGR-UHFFFAOYSA-N 0 0 439.140 4.925 50 0 IJAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(I)c1 ZINC000001261434 568775392 /nfs/dbraw/zinc/77/53/92/568775392.db2.gz OYGCFYWKKYPSTL-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccc(Br)cc4)no3)c2CO1 ZINC000263616844 568776882 /nfs/dbraw/zinc/77/68/82/568776882.db2.gz KVIXYRLFUFWBLA-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(OCC)c5)no4)cc3CO2)cc1 ZINC000263619065 568777805 /nfs/dbraw/zinc/77/78/05/568777805.db2.gz WSNHPLIGYWFDST-QFIPXVFZSA-N 0 0 432.480 4.669 50 0 IJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(SC)cc5)no4)cc3CO2)cc1 ZINC000263618116 568778011 /nfs/dbraw/zinc/77/80/11/568778011.db2.gz RHRQBHYAUBHQNO-NRFANRHFSA-N 0 0 434.521 4.992 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263618143 568778012 /nfs/dbraw/zinc/77/80/12/568778012.db2.gz RLIKTEJRWAEBKT-INIZCTEOSA-N 0 0 440.784 4.613 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)ncn(-c1ccccc1)c2=O ZINC000032106142 568781183 /nfs/dbraw/zinc/78/11/83/568781183.db2.gz ZSBCUVMVDRCUKT-UHFFFAOYSA-N 0 0 438.256 4.540 50 0 IJAARN Cc1cc(C)c(C)c(SCC(=O)NCC(=O)Nc2ccccc2Br)c1C ZINC000019180846 568783435 /nfs/dbraw/zinc/78/34/35/568783435.db2.gz GQKMCQIFKNWDQE-UHFFFAOYSA-N 0 0 435.387 4.530 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2sc(-c3ccsc3)nc2C)c(C)n1C[C@H]1CCCO1 ZINC000025836905 568784692 /nfs/dbraw/zinc/78/46/92/568784692.db2.gz ZMYMPACNQDRPPW-QGZVFWFLSA-N 0 0 444.578 4.817 50 0 IJAARN Cn1c(CS(=O)(=O)c2ccccc2)cnc1SCc1c(Cl)cccc1Cl ZINC000001397445 568785655 /nfs/dbraw/zinc/78/56/55/568785655.db2.gz XCJVVLDAGHGUFP-UHFFFAOYSA-N 0 0 427.378 4.993 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F ZINC000001404997 568786958 /nfs/dbraw/zinc/78/69/58/568786958.db2.gz ZDHALWSDZOCQBX-UHFFFAOYSA-N 0 0 427.304 4.522 50 0 IJAARN O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000001405094 568786969 /nfs/dbraw/zinc/78/69/69/568786969.db2.gz HJZATJMWBWDZKJ-UHFFFAOYSA-N 0 0 425.311 4.994 50 0 IJAARN Cc1c(C(=O)NCc2ccc(-n3cccn3)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000002744001 568788967 /nfs/dbraw/zinc/78/89/67/568788967.db2.gz UMGUVBXWGGFFNG-UHFFFAOYSA-N 0 0 433.515 4.963 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000084064730 568790792 /nfs/dbraw/zinc/79/07/92/568790792.db2.gz LNQPMZIOKQCVQO-UHFFFAOYSA-N 0 0 427.913 4.659 50 0 IJAARN CC(=O)Nc1cc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc4ccccc43)n2)ccc1C ZINC000016661350 568791576 /nfs/dbraw/zinc/79/15/76/568791576.db2.gz JWBQZIOYWOMXIZ-QGZVFWFLSA-N 0 0 440.503 4.530 50 0 IJAARN CC(=O)c1sc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)nc1-c1ccccc1 ZINC000025910252 568792774 /nfs/dbraw/zinc/79/27/74/568792774.db2.gz PGBMAGCIDVRREC-UHFFFAOYSA-N 0 0 433.537 4.552 50 0 IJAARN CCOc1c(Br)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1Br ZINC000001421073 568792964 /nfs/dbraw/zinc/79/29/64/568792964.db2.gz QHALJUZRJPMONZ-XYOKQWHBSA-N 0 0 441.075 4.548 50 0 IJAARN Cc1ccccc1O[C@H]1C(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000001420961 568792971 /nfs/dbraw/zinc/79/29/71/568792971.db2.gz PSJCOTJBQQQXBW-BJKOFHAPSA-N 0 0 435.907 4.951 50 0 IJAARN COC(=O)c1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001420970 568793009 /nfs/dbraw/zinc/79/30/09/568793009.db2.gz AUDKSZMCXFYEIG-FCHUYYIVSA-N 0 0 439.870 4.797 50 0 IJAARN CCOC(=O)C1=C(CSc2ccc3ccccc3n2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001422886 568793412 /nfs/dbraw/zinc/79/34/12/568793412.db2.gz WLSUGFCSBGLPPY-QHCPKHFHSA-N 0 0 447.560 4.815 50 0 IJAARN COc1ccc([C@@H]2OC(=O)N(CCc3ccc(C)cc3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001428118 568794132 /nfs/dbraw/zinc/79/41/32/568794132.db2.gz YNHZDVCUKAUOMS-AHWVRZQESA-N 0 0 433.504 4.594 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)ccc1OCc1ccccc1 ZINC000001427308 568794140 /nfs/dbraw/zinc/79/41/40/568794140.db2.gz CCBJTOGDQCHWMH-IBGZPJMESA-N 0 0 428.440 4.822 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCC[C@H](C)C1 ZINC000084234975 568796456 /nfs/dbraw/zinc/79/64/56/568796456.db2.gz IZMPDZQEDANOIS-JVFUWBCBSA-N 0 0 447.579 4.744 50 0 IJAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@H](C)c1nc3ccccc3n1C(C)C)CC2 ZINC000084286962 568796678 /nfs/dbraw/zinc/79/66/78/568796678.db2.gz BOMQBFUUDOITNM-HIFRSBDPSA-N 0 0 445.489 4.717 50 0 IJAARN CCC[C@H](Sc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccccc1)C(=O)OCC ZINC000004212820 568796931 /nfs/dbraw/zinc/79/69/31/568796931.db2.gz LKPWDOOQESXDQD-FQEVSTJZSA-N 0 0 441.553 4.775 50 0 IJAARN CCC[C@@H](Sc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccccc1)C(=O)OCC ZINC000004212823 568796966 /nfs/dbraw/zinc/79/69/66/568796966.db2.gz LKPWDOOQESXDQD-HXUWFJFHSA-N 0 0 441.553 4.775 50 0 IJAARN O=C(NC[C@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1)Nc1cccc(F)c1 ZINC000084372615 568797547 /nfs/dbraw/zinc/79/75/47/568797547.db2.gz CDHRHZSEALNWKH-GOSISDBHSA-N 0 0 439.531 4.821 50 0 IJAARN O=C(Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1)N1CCC[C@H](CO)C1 ZINC000084421769 568797971 /nfs/dbraw/zinc/79/79/71/568797971.db2.gz FYOBZLSBJCALJA-ZDUSSCGKSA-N 0 0 446.370 4.962 50 0 IJAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000084501934 568798254 /nfs/dbraw/zinc/79/82/54/568798254.db2.gz MXHACFRSNRFZPG-IAGOWNOFSA-N 0 0 433.335 4.680 50 0 IJAARN O=c1nc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000084564660 568798813 /nfs/dbraw/zinc/79/88/13/568798813.db2.gz ZYVBTRGHOIERNN-UHFFFAOYSA-N 0 0 436.968 4.627 50 0 IJAARN O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000084606411 568799198 /nfs/dbraw/zinc/79/91/98/568799198.db2.gz XBKCQNNULDYHCI-UHFFFAOYSA-N 0 0 439.302 4.641 50 0 IJAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cnn2cccnc12 ZINC000084614925 568799248 /nfs/dbraw/zinc/79/92/48/568799248.db2.gz FBGIKPQJVGMFEZ-UHFFFAOYSA-N 0 0 425.311 4.895 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3c(C)oc(C)c3C)ccc2C)cc1 ZINC000015632122 568800320 /nfs/dbraw/zinc/80/03/20/568800320.db2.gz IJRUETCBABCMQD-UHFFFAOYSA-N 0 0 428.510 4.575 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2sc3nc(N4CCCC4)c4c(c3c2N)CCCC4)cc1 ZINC000015670974 568802364 /nfs/dbraw/zinc/80/23/64/568802364.db2.gz XMEMASNTHDFIBI-UHFFFAOYSA-N 0 0 434.565 4.812 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1C ZINC000015676209 568804222 /nfs/dbraw/zinc/80/42/22/568804222.db2.gz DHFBUZMZTCPITR-AREMUKBSSA-N 0 0 436.600 4.665 50 0 IJAARN CCCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000015679813 568805818 /nfs/dbraw/zinc/80/58/18/568805818.db2.gz NCNQADLRMGUGTP-UHFFFAOYSA-N 0 0 446.576 4.920 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c2-n2cccc2)cc1 ZINC000015681356 568806578 /nfs/dbraw/zinc/80/65/78/568806578.db2.gz MHYKUZYREDNMJS-JOCHJYFZSA-N 0 0 439.563 4.631 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OC[C@H]3CCCO3)n2)c(OC)c1 ZINC000032492347 568811431 /nfs/dbraw/zinc/81/14/31/568811431.db2.gz DZNHKPCHROQAJO-MRXNPFEDSA-N 0 0 440.521 4.637 50 0 IJAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N(Cc3cccs3)C3CCCC3)ccc2S1 ZINC000015730915 568814403 /nfs/dbraw/zinc/81/44/03/568814403.db2.gz FFIFZKOPHUHZPI-AWEZNQCLSA-N 0 0 436.624 4.704 50 0 IJAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)cc2)CC1 ZINC000015730980 568814426 /nfs/dbraw/zinc/81/44/26/568814426.db2.gz WMDFKHQSDUAJRQ-INIZCTEOSA-N 0 0 445.610 4.547 50 0 IJAARN Cc1ccc(-c2nc(SCc3cc(=O)n4nc(C5CCCCC5)sc4n3)n[nH]2)cc1 ZINC000015731925 568815123 /nfs/dbraw/zinc/81/51/23/568815123.db2.gz HKTOIAXOIUHESJ-UHFFFAOYSA-N 0 0 438.582 4.585 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3c(c4cc(C)ccc4n3CCc3ccccn3)C2)cc1 ZINC000085392262 568816961 /nfs/dbraw/zinc/81/69/61/568816961.db2.gz WTBOKRZVDFKNBN-UHFFFAOYSA-N 0 0 445.588 4.643 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000015776987 568823657 /nfs/dbraw/zinc/82/36/57/568823657.db2.gz VQDNWOSWLWSHPH-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN CCC[C@H](NC(=O)CN1c2ccccc2-n2cccc2SCC1=O)c1cccs1 ZINC000015784823 568829598 /nfs/dbraw/zinc/82/95/98/568829598.db2.gz TYQMXPPZKNECCO-INIZCTEOSA-N 0 0 425.579 4.635 50 0 IJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000085650224 568830896 /nfs/dbraw/zinc/83/08/96/568830896.db2.gz ZBOOAGYFHMHKOP-MRXNPFEDSA-N 0 0 436.537 4.674 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccccc2F)c1C ZINC000085711214 568835018 /nfs/dbraw/zinc/83/50/18/568835018.db2.gz ODPISCBYQJRCSE-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN O=C(Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1)C1CCCCC1 ZINC000015787077 568836506 /nfs/dbraw/zinc/83/65/06/568836506.db2.gz QNVFCOJPKVWSSS-UHFFFAOYSA-N 0 0 434.974 4.844 50 0 IJAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000026095059 568839169 /nfs/dbraw/zinc/83/91/69/568839169.db2.gz HYGZYLRUEWNXFY-UHFFFAOYSA-N 0 0 448.529 4.798 50 0 IJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000015826635 568840728 /nfs/dbraw/zinc/84/07/28/568840728.db2.gz GJVGKWMUVJCCKE-UHFFFAOYSA-N 0 0 430.888 4.810 50 0 IJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2S(=O)(=O)N1c1cc(F)ccc1F ZINC000015827168 568840860 /nfs/dbraw/zinc/84/08/60/568840860.db2.gz UDFMMOQOIVZDMY-UHFFFAOYSA-N 0 0 434.851 4.954 50 0 IJAARN CSc1cccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 ZINC000015827276 568840877 /nfs/dbraw/zinc/84/08/77/568840877.db2.gz DDOKIGWEENMWCP-UHFFFAOYSA-N 0 0 428.510 4.883 50 0 IJAARN CCN(CC)C(=S)SCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000045067854 568843179 /nfs/dbraw/zinc/84/31/79/568843179.db2.gz UDCLQCNLGWSQMG-NRFANRHFSA-N 0 0 441.622 4.733 50 0 IJAARN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859306 568847194 /nfs/dbraw/zinc/84/71/94/568847194.db2.gz AYIZCYWYEVHXMB-QHCPKHFHSA-N 0 0 432.476 4.708 50 0 IJAARN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859305 568847233 /nfs/dbraw/zinc/84/72/33/568847233.db2.gz AYIZCYWYEVHXMB-HSZRJFAPSA-N 0 0 432.476 4.708 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 ZINC000015861927 568848492 /nfs/dbraw/zinc/84/84/92/568848492.db2.gz KMFLPNZRSXIQDM-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc(OC)c1OC ZINC000015863694 568849344 /nfs/dbraw/zinc/84/93/44/568849344.db2.gz RCXMYUHREKZTOZ-UHFFFAOYSA-N 0 0 445.519 4.637 50 0 IJAARN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864340 568849758 /nfs/dbraw/zinc/84/97/58/568849758.db2.gz FRFHJSYSACCHTB-UHFFFAOYSA-N 0 0 433.939 4.571 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000015865482 568850742 /nfs/dbraw/zinc/85/07/42/568850742.db2.gz QMBXBRINCJRFLY-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1 ZINC000015870333 568851656 /nfs/dbraw/zinc/85/16/56/568851656.db2.gz RJXYRQHQENTSDU-UHFFFAOYSA-N 0 0 431.583 4.890 50 0 IJAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2s1)C1CCCCC1 ZINC000015870211 568851673 /nfs/dbraw/zinc/85/16/73/568851673.db2.gz UTSZFFXMVSNJRH-UHFFFAOYSA-N 0 0 433.530 4.755 50 0 IJAARN O=C(CCSc1ccc(F)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015880243 568854258 /nfs/dbraw/zinc/85/42/58/568854258.db2.gz ZVGNTRSKGHZYLA-UHFFFAOYSA-N 0 0 427.570 4.961 50 0 IJAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000016013501 568862820 /nfs/dbraw/zinc/86/28/20/568862820.db2.gz JKEXXKXZAMFHRK-UHFFFAOYSA-N 0 0 442.494 4.941 50 0 IJAARN CC(C)Oc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012945412 568870915 /nfs/dbraw/zinc/87/09/15/568870915.db2.gz KSKBJBFORAOXSZ-UHFFFAOYSA-N 0 0 427.504 4.553 50 0 IJAARN O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)C1c2ccccc2Oc2ccccc21 ZINC000010509523 568884410 /nfs/dbraw/zinc/88/44/10/568884410.db2.gz RULJPKNHAXSPBO-UHFFFAOYSA-N 0 0 441.462 4.716 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000226669361 568885394 /nfs/dbraw/zinc/88/53/94/568885394.db2.gz NYJVOOYIRMZESA-JYVOOEOHSA-N 0 0 429.564 4.962 50 0 IJAARN C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)C[C@@H](OC(=O)C(C)=C(C)C)[C@@H]21 ZINC000226760911 568885627 /nfs/dbraw/zinc/88/56/27/568885627.db2.gz AVECJVSAHPKONZ-TZJKXYDGSA-N 0 0 442.552 4.751 50 0 IJAARN CSc1ccc(CN(C)CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016378512 568886229 /nfs/dbraw/zinc/88/62/29/568886229.db2.gz DKWKHBRFMMYLFT-DEOSSOPVSA-N 0 0 428.598 4.515 50 0 IJAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)Nc1ccccc1C(F)(F)F ZINC000090504336 568886585 /nfs/dbraw/zinc/88/65/85/568886585.db2.gz CTMDBBWJHHVJKA-UHFFFAOYSA-N 0 0 430.430 4.852 50 0 IJAARN Cc1ccc(F)c(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1N ZINC000064184391 568893633 /nfs/dbraw/zinc/89/36/33/568893633.db2.gz SMIUJFSHECDDGG-INIZCTEOSA-N 0 0 425.287 4.544 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2Br)c1 ZINC000000682544 568897611 /nfs/dbraw/zinc/89/76/11/568897611.db2.gz DQDADIZPIFVZOJ-UHFFFAOYSA-N 0 0 427.092 4.641 50 0 IJAARN Cc1sc2nc(SCCCc3nc(-c4ccncc4)no3)n(C(C)C)c(=O)c2c1C ZINC000013004103 568898639 /nfs/dbraw/zinc/89/86/39/568898639.db2.gz BTTHEAYXJDNQNJ-UHFFFAOYSA-N 0 0 441.582 4.826 50 0 IJAARN CCc1nnsc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000013005621 568899321 /nfs/dbraw/zinc/89/93/21/568899321.db2.gz RWZNWDIBASTSCO-UHFFFAOYSA-N 0 0 431.565 4.842 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nc3sc4c(c3c(=O)n2CCCOC)CCC4)n1 ZINC000013009281 568899655 /nfs/dbraw/zinc/89/96/55/568899655.db2.gz LJRCEDPKAOKKRX-ZDUSSCGKSA-N 0 0 448.614 4.562 50 0 IJAARN CC(C)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CC1 ZINC000013020290 568902092 /nfs/dbraw/zinc/90/20/92/568902092.db2.gz SFIBDWBLRLENOI-UHFFFAOYSA-N 0 0 447.000 4.742 50 0 IJAARN Cc1cc(O[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)nc(SC(C)C)n1 ZINC000027986139 568905861 /nfs/dbraw/zinc/90/58/61/568905861.db2.gz BXYBXBNDPCSIQP-HNNXBMFYSA-N 0 0 434.776 4.791 50 0 IJAARN c1nc2sc3c(c2c(NCCNc2ncnc4sc5c(c42)CCCC5)n1)CCCC3 ZINC000001776830 568906527 /nfs/dbraw/zinc/90/65/27/568906527.db2.gz ITSXAQOIWYDQEC-UHFFFAOYSA-N 0 0 436.610 4.978 50 0 IJAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)c1ccccc1 ZINC000006458598 568909402 /nfs/dbraw/zinc/90/94/02/568909402.db2.gz SOVJBVYYVHADQB-MXJLDLDKSA-N 0 0 442.540 4.996 50 0 IJAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@H]3c3nc4ccccc4s3)C2=O)cc1 ZINC000239347155 568911202 /nfs/dbraw/zinc/91/12/02/568911202.db2.gz MFIAJOLUGWMDTA-NBGIEHNGSA-N 0 0 448.592 4.981 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC(C)(C)SC2 ZINC000001832447 568915968 /nfs/dbraw/zinc/91/59/68/568915968.db2.gz URNWDPKVKPCCRY-UHFFFAOYSA-N 0 0 434.608 4.620 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)N2C(=O)[C@H](C)SC2=N1 ZINC000026842256 568917865 /nfs/dbraw/zinc/91/78/65/568917865.db2.gz FKGVBQCYDBLWNN-LIRRHRJNSA-N 0 0 426.925 4.732 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000248054448 568918842 /nfs/dbraw/zinc/91/88/42/568918842.db2.gz BPFVWYVVMSBMIW-PBFPGSCMSA-N 0 0 435.417 4.578 50 0 IJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001115240 568924540 /nfs/dbraw/zinc/92/45/40/568924540.db2.gz CFDRDQYPNRWWAQ-GMAHTHKFSA-N 0 0 427.504 4.955 50 0 biogenic IJAARN COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCOCC2)cc1 ZINC000089438860 568924776 /nfs/dbraw/zinc/92/47/76/568924776.db2.gz SZGYFDJTWHUHJS-OAQYLSRUSA-N 0 0 431.458 4.748 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3C[C@@H](O)C[C@H]3c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000089455355 568925560 /nfs/dbraw/zinc/92/55/60/568925560.db2.gz KCZKKVOUTFHOJN-LPHOPBHVSA-N 0 0 448.466 4.786 50 0 IJAARN CCc1ccc(C(=O)Nc2cccc([C@@H]3C(C(=O)OC)=C(C)N=C4SCCCN43)c2)cc1 ZINC000016613640 568925809 /nfs/dbraw/zinc/92/58/09/568925809.db2.gz GKDSFSNJJPRUOW-JOCHJYFZSA-N 0 0 449.576 4.798 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(NC(=O)c3ccccc3)c2)N2CCCSC2=N1 ZINC000016613790 568925967 /nfs/dbraw/zinc/92/59/67/568925967.db2.gz SIQXIZUDVHBHQP-NRFANRHFSA-N 0 0 435.549 4.626 50 0 IJAARN COCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000035806730 568926111 /nfs/dbraw/zinc/92/61/11/568926111.db2.gz HDMPYDGFVGLTGL-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN COc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000089469764 568926480 /nfs/dbraw/zinc/92/64/80/568926480.db2.gz UHWCEBRDTYBVJQ-QFIPXVFZSA-N 0 0 426.925 4.889 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nccnc2Oc2ccc(C)cc2)C1 ZINC000064452403 568929232 /nfs/dbraw/zinc/92/92/32/568929232.db2.gz MINOFPXLPXMEKO-OAQYLSRUSA-N 0 0 446.551 4.509 50 0 IJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccco1 ZINC000016653653 568929667 /nfs/dbraw/zinc/92/96/67/568929667.db2.gz UCFKEHKTHVHPFF-MRXNPFEDSA-N 0 0 431.485 4.627 50 0 IJAARN COC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)cc1 ZINC000064471957 568930105 /nfs/dbraw/zinc/93/01/05/568930105.db2.gz BAFADNZCJLNKLO-UHFFFAOYSA-N 0 0 441.940 4.607 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)n2)cc1 ZINC000064580027 568934191 /nfs/dbraw/zinc/93/41/91/568934191.db2.gz HKHMGBISHVLRRU-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4cccc(C)c4)c(C(=O)[O-])c3)CC2)cc1 ZINC000064589670 568935076 /nfs/dbraw/zinc/93/50/76/568935076.db2.gz NKURMFXSAZRWSZ-UHFFFAOYSA-N 0 0 443.547 4.576 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccc(F)cc3F)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591092 568935408 /nfs/dbraw/zinc/93/54/08/568935408.db2.gz HXPKBJOGUOPZPP-UHFFFAOYSA-N 0 0 443.498 4.755 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000006600206 568935608 /nfs/dbraw/zinc/93/56/08/568935608.db2.gz HWPHWOCALCQDAE-UHFFFAOYSA-N 0 0 445.972 4.516 50 0 IJAARN Cc1ccc(-c2nc3nc4c(c(N5CCN(c6ccc(C)cc6C)CC5)n3n2)CCC4)cc1 ZINC000064592846 568935617 /nfs/dbraw/zinc/93/56/17/568935617.db2.gz LIGOWYFGOBMQLD-UHFFFAOYSA-N 0 0 438.579 4.532 50 0 IJAARN Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccn23)c(C)c1 ZINC000064593906 568936228 /nfs/dbraw/zinc/93/62/28/568936228.db2.gz GXOWIQYGGMGFMU-UHFFFAOYSA-N 0 0 432.549 4.595 50 0 IJAARN COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000016689802 568938282 /nfs/dbraw/zinc/93/82/82/568938282.db2.gz XWRVZWIVFZCVJE-SPYBWZPUSA-N 0 0 438.553 4.832 50 0 IJAARN O=C(Nc1c(-c2ccncc2)nc2ccccn21)Nc1ccc(Br)cc1F ZINC000064611212 568940248 /nfs/dbraw/zinc/94/02/48/568940248.db2.gz AUCOEVHLSBUAKM-UHFFFAOYSA-N 0 0 426.249 4.942 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064657011 568942324 /nfs/dbraw/zinc/94/23/24/568942324.db2.gz AAQCFRIUCKEFOM-GOSISDBHSA-N 0 0 427.547 4.762 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000064656921 568942391 /nfs/dbraw/zinc/94/23/91/568942391.db2.gz BQFKMXKIROQLOG-MRXNPFEDSA-N 0 0 433.938 4.717 50 0 IJAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC3)cc1 ZINC000064660179 568942506 /nfs/dbraw/zinc/94/25/06/568942506.db2.gz WSFQCCASQMZDNN-UHFFFAOYSA-N 0 0 442.606 4.764 50 0 IJAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC3)c1 ZINC000064660311 568942578 /nfs/dbraw/zinc/94/25/78/568942578.db2.gz GJWORZWBLGRTAC-UHFFFAOYSA-N 0 0 442.606 4.764 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(C)n2C)sc1C ZINC000064668296 568943183 /nfs/dbraw/zinc/94/31/83/568943183.db2.gz ASXHKHTYQXSGPM-UHFFFAOYSA-N 0 0 440.388 4.637 50 0 IJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCCc1ccc(Cl)cc1 ZINC000064670124 568943713 /nfs/dbraw/zinc/94/37/13/568943713.db2.gz ARJNPJMQUDBUOA-UHFFFAOYSA-N 0 0 436.986 4.692 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c(C)c1 ZINC000064712371 568944785 /nfs/dbraw/zinc/94/47/85/568944785.db2.gz QCOUPUILSIXKTF-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2cc(C)ccc2C)n1 ZINC000036065885 568945107 /nfs/dbraw/zinc/94/51/07/568945107.db2.gz CFIIWYACMIMCGY-LJQANCHMSA-N 0 0 449.551 4.751 50 0 IJAARN CC(C)CCNC(=O)c1ccc(Nc2c(Oc3cccc(Cl)c3)cnn(C)c2=O)cc1 ZINC000036073269 568945685 /nfs/dbraw/zinc/94/56/85/568945685.db2.gz FCYOZXCQYFBJTL-UHFFFAOYSA-N 0 0 440.931 4.746 50 0 IJAARN Cc1cccc(N2CCN(c3c4c(nc5nc(-c6cccs6)nn53)CCCC4)CC2)c1C ZINC000064728302 568945699 /nfs/dbraw/zinc/94/56/99/568945699.db2.gz OZBUWWZAUOPTBK-UHFFFAOYSA-N 0 0 444.608 4.675 50 0 IJAARN O=C(NCc1ccco1)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072442 568946129 /nfs/dbraw/zinc/94/61/29/568946129.db2.gz YSESUPFSLGDELZ-UHFFFAOYSA-N 0 0 437.446 4.678 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCc3cccnc3)co2)Cc2ccccc2)c1 ZINC000036073736 568946282 /nfs/dbraw/zinc/94/62/82/568946282.db2.gz CYLJJWCMHWNKJK-UHFFFAOYSA-N 0 0 440.547 4.819 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083473 568947230 /nfs/dbraw/zinc/94/72/30/568947230.db2.gz YLUWJFSKKZOQEC-IBGZPJMESA-N 0 0 435.307 4.586 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(F)cc2F)N(CC)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036083575 568947245 /nfs/dbraw/zinc/94/72/45/568947245.db2.gz KIQREJUPCHMCLJ-JOCHJYFZSA-N 0 0 444.478 4.564 50 0 IJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000064747518 568950023 /nfs/dbraw/zinc/95/00/23/568950023.db2.gz RPIWGXKUPIJLLX-KRWDZBQOSA-N 0 0 428.876 4.776 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000064747565 568950138 /nfs/dbraw/zinc/95/01/38/568950138.db2.gz KGMSKJQWLIFPCW-QGZVFWFLSA-N 0 0 428.876 4.776 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c(C)nc2c3ccc(-c4ccccc4)nc3sc2c1=O ZINC000064747009 568950464 /nfs/dbraw/zinc/95/04/64/568950464.db2.gz RTLXFECKNUVUGB-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1Cl ZINC000064754623 568951014 /nfs/dbraw/zinc/95/10/14/568951014.db2.gz VNJJEIWLKITOET-GOSISDBHSA-N 0 0 447.922 4.892 50 0 IJAARN CC(C)CN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000006695996 568952543 /nfs/dbraw/zinc/95/25/43/568952543.db2.gz KANQVHVBRFBEFG-UHFFFAOYSA-N 0 0 430.618 4.571 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 ZINC000064775469 568954689 /nfs/dbraw/zinc/95/46/89/568954689.db2.gz HPNBNCQOJSPSCM-UHFFFAOYSA-N 0 0 444.516 4.795 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1)c1ccccc1 ZINC000064775694 568954719 /nfs/dbraw/zinc/95/47/19/568954719.db2.gz VLWIHDKRLSSGFD-OAQYLSRUSA-N 0 0 433.533 4.776 50 0 IJAARN COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cccc(Cl)c4C)c(=O)[nH]c3C2)cc1 ZINC000064775486 568954725 /nfs/dbraw/zinc/95/47/25/568954725.db2.gz VASYFXBDEOMNFV-HNNXBMFYSA-N 0 0 436.895 4.510 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3cccc(C)c3)n2)C(C)C)cc1 ZINC000036115323 568955282 /nfs/dbraw/zinc/95/52/82/568955282.db2.gz VWFOMWINROXXLS-UHFFFAOYSA-N 0 0 430.595 4.938 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccc(C)cc2)C2CC2)cs1 ZINC000036114976 568955383 /nfs/dbraw/zinc/95/53/83/568955383.db2.gz CGMNWBKTSDZRLT-UHFFFAOYSA-N 0 0 438.549 4.853 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@H](C)CC ZINC000036120619 568957361 /nfs/dbraw/zinc/95/73/61/568957361.db2.gz DDEFUOQDYTZKBO-XLIONFOSSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000036121234 568957889 /nfs/dbraw/zinc/95/78/89/568957889.db2.gz VIHGLHAJRJEVRO-OAQYLSRUSA-N 0 0 446.588 4.677 50 0 IJAARN CCCc1cc(Nc2cccc(C(=O)NC3CCCC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791748 568959069 /nfs/dbraw/zinc/95/90/69/568959069.db2.gz NZKHJFXSKUNRCD-UHFFFAOYSA-N 0 0 441.539 4.555 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000064800417 568961322 /nfs/dbraw/zinc/96/13/22/568961322.db2.gz WWRLWSHCTKIDDC-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147129 568962521 /nfs/dbraw/zinc/96/25/21/568962521.db2.gz PMUPHGFSKUWINQ-RPWUZVMVSA-N 0 0 448.538 4.569 50 0 IJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)c1 ZINC000006722100 568962992 /nfs/dbraw/zinc/96/29/92/568962992.db2.gz ZLMKZJHCPYSGFY-UHFFFAOYSA-N 0 0 428.552 4.751 50 0 IJAARN CC[C@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006722062 568963020 /nfs/dbraw/zinc/96/30/20/568963020.db2.gz DMZQCMNGXWFMQZ-SFHVURJKSA-N 0 0 425.573 4.797 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1)c1ccco1 ZINC000064818170 568966215 /nfs/dbraw/zinc/96/62/15/568966215.db2.gz MFNFSBZYDOZRDX-UHFFFAOYSA-N 0 0 442.475 4.602 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2c(=O)n1-c1ccccc1 ZINC000064819536 568966576 /nfs/dbraw/zinc/96/65/76/568966576.db2.gz DBWYSJPUYBMANG-UHFFFAOYSA-N 0 0 430.483 4.623 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3ccc(F)cc3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819578 568966663 /nfs/dbraw/zinc/96/66/63/568966663.db2.gz GXGHVNHDCKZIDO-UHFFFAOYSA-N 0 0 444.510 4.682 50 0 IJAARN O=C(c1cccs1)N1CCS[C@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 ZINC000036166722 568967370 /nfs/dbraw/zinc/96/73/70/568967370.db2.gz AJTKTVUGSNODMX-JOCHJYFZSA-N 0 0 442.512 4.615 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(F)c1 ZINC000036164952 568968224 /nfs/dbraw/zinc/96/82/24/568968224.db2.gz NEYPKKATMTVKRQ-HSZRJFAPSA-N 0 0 438.549 4.784 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)CC(C)C)C2=O)cc1 ZINC000036165621 568968371 /nfs/dbraw/zinc/96/83/71/568968371.db2.gz JXVLSBNGZFPWOK-HSZRJFAPSA-N 0 0 428.985 4.970 50 0 IJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1ccccc1Cl ZINC000036166330 568968519 /nfs/dbraw/zinc/96/85/19/568968519.db2.gz CGKKJIVOASPYCK-QHCPKHFHSA-N 0 0 444.984 4.670 50 0 IJAARN CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000064837167 568969497 /nfs/dbraw/zinc/96/94/97/568969497.db2.gz KSORQBJTGFSOKL-UHFFFAOYSA-N 0 0 447.516 4.592 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1Br)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847648 568971168 /nfs/dbraw/zinc/97/11/68/568971168.db2.gz GFGBRHYJWPBZNS-HNNXBMFYSA-N 0 0 430.346 4.968 50 0 IJAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862062 568973898 /nfs/dbraw/zinc/97/38/98/568973898.db2.gz KJGVSFGNXOGLTP-UHFFFAOYSA-N 0 0 447.988 4.854 50 0 IJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862067 568973960 /nfs/dbraw/zinc/97/39/60/568973960.db2.gz AEVYWBXCFLDHIO-UHFFFAOYSA-N 0 0 447.988 4.854 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(F)cc1 ZINC000064869579 568976204 /nfs/dbraw/zinc/97/62/04/568976204.db2.gz HWJXRONETVXYPU-LJQANCHMSA-N 0 0 427.501 4.879 50 0 IJAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869898 568976524 /nfs/dbraw/zinc/97/65/24/568976524.db2.gz RVPSVOOHLGWQBD-AWEZNQCLSA-N 0 0 427.501 4.879 50 0 IJAARN CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 ZINC000064871972 568977915 /nfs/dbraw/zinc/97/79/15/568977915.db2.gz FDZUDGUTXLYNPP-UHFFFAOYSA-N 0 0 444.578 4.841 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064873003 568978086 /nfs/dbraw/zinc/97/80/86/568978086.db2.gz AMIUJTQDJRCFBU-UHFFFAOYSA-N 0 0 438.934 4.511 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000064888209 568979426 /nfs/dbraw/zinc/97/94/26/568979426.db2.gz CSBMSIFGLGQCQB-UHFFFAOYSA-N 0 0 433.577 4.880 50 0 IJAARN COc1cccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1OC ZINC000064890500 568981333 /nfs/dbraw/zinc/98/13/33/568981333.db2.gz KKCGALFHFDKPOZ-UHFFFAOYSA-N 0 0 432.480 4.554 50 0 IJAARN COc1ccc(CCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)cc1 ZINC000064890508 568981379 /nfs/dbraw/zinc/98/13/79/568981379.db2.gz RMPQEWNDHYKHOD-UHFFFAOYSA-N 0 0 430.508 4.664 50 0 IJAARN COc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248489 568982715 /nfs/dbraw/zinc/98/27/15/568982715.db2.gz PMIXBNAPFFAJJS-UHFFFAOYSA-N 0 0 429.513 4.855 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036249388 568983208 /nfs/dbraw/zinc/98/32/08/568983208.db2.gz YAXLZHWMUUZFFN-SFHVURJKSA-N 0 0 437.515 4.758 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN([C@H](C(=O)NC[C@H](C)CC)C3CCCC3)CC2)cc1 ZINC000036254447 568984692 /nfs/dbraw/zinc/98/46/92/568984692.db2.gz WWRHBDATEKPUEV-BWKNWUBXSA-N 0 0 441.660 4.508 50 0 IJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000064928068 568986980 /nfs/dbraw/zinc/98/69/80/568986980.db2.gz XMRGHKJHTRQLAP-UHFFFAOYSA-N 0 0 433.474 4.964 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928959 568987228 /nfs/dbraw/zinc/98/72/28/568987228.db2.gz UNHLANQMVWCGGY-UGKGYDQZSA-N 0 0 432.543 4.637 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3)s2)cc1 ZINC000064930070 568988434 /nfs/dbraw/zinc/98/84/34/568988434.db2.gz CYBGCFIYRKJUJO-KRWDZBQOSA-N 0 0 426.929 4.730 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1C ZINC000064930513 568988890 /nfs/dbraw/zinc/98/88/90/568988890.db2.gz ILYYWONAYBUFPK-SFHVURJKSA-N 0 0 439.516 4.915 50 0 IJAARN COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@@H]23)c1 ZINC000169678553 568989909 /nfs/dbraw/zinc/98/99/09/568989909.db2.gz FBZTUGNDSJXJNF-NOZRDPDXSA-N 0 0 447.966 4.855 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000064942709 568992254 /nfs/dbraw/zinc/99/22/54/568992254.db2.gz HTZBQSQGKRLBGW-UHFFFAOYSA-N 0 0 445.338 4.546 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000064944427 568993400 /nfs/dbraw/zinc/99/34/00/568993400.db2.gz HMHFHQJHUGFBOW-CQSZACIVSA-N 0 0 441.626 4.924 50 0 IJAARN CC(C)c1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccn3)no2)cc1 ZINC000064947439 568995142 /nfs/dbraw/zinc/99/51/42/568995142.db2.gz FOSDBAPPDUONKD-UHFFFAOYSA-N 0 0 440.550 4.809 50 0 IJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1OC ZINC000036314302 568999099 /nfs/dbraw/zinc/99/90/99/568999099.db2.gz RYRRTTGTMWGPOL-UHFFFAOYSA-N 0 0 449.551 4.548 50 0 IJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036314297 568999114 /nfs/dbraw/zinc/99/91/14/568999114.db2.gz SNMXDIKELUTNHC-UHFFFAOYSA-N 0 0 437.515 4.678 50 0 IJAARN Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000064960798 569000479 /nfs/dbraw/zinc/00/04/79/569000479.db2.gz GDVPMOATLNGAKQ-UHFFFAOYSA-N 0 0 425.554 4.737 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000064967614 569001346 /nfs/dbraw/zinc/00/13/46/569001346.db2.gz HGZWBBGJSALVFM-UHFFFAOYSA-N 0 0 443.841 4.782 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970954 569076345 /nfs/dbraw/zinc/07/63/45/569076345.db2.gz KDVNSFFNSXEWOP-JOCHJYFZSA-N 0 0 443.551 4.912 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000064971980 569076830 /nfs/dbraw/zinc/07/68/30/569076830.db2.gz XQAJLPDAAIVTOE-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4c(C)cccc4C)c3=O)n2)cc1 ZINC000064971789 569076859 /nfs/dbraw/zinc/07/68/59/569076859.db2.gz NJJCMBKRIPAXPX-UHFFFAOYSA-N 0 0 442.519 4.746 50 0 IJAARN Cc1cccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(Cl)c4)c(=O)n3n2)c1 ZINC000064977842 569077719 /nfs/dbraw/zinc/07/77/19/569077719.db2.gz OXLPOPWYYWGIOI-UHFFFAOYSA-N 0 0 428.879 4.556 50 0 IJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000064978132 569077753 /nfs/dbraw/zinc/07/77/53/569077753.db2.gz XFOPPLKCVOFQNC-UHFFFAOYSA-N 0 0 426.850 4.751 50 0 IJAARN CC[C@@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987050 569082556 /nfs/dbraw/zinc/08/25/56/569082556.db2.gz KWVKUAIPLSSXNX-OAQYLSRUSA-N 0 0 432.520 4.663 50 0 IJAARN O=S(=O)(NCc1cccs1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988024 569082806 /nfs/dbraw/zinc/08/28/06/569082806.db2.gz SNLNLVDSRLCKLL-UHFFFAOYSA-N 0 0 431.926 4.597 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)C2=O)cc1 ZINC000064988842 569082915 /nfs/dbraw/zinc/08/29/15/569082915.db2.gz FFAPYQKMNVBBNG-UHFFFAOYSA-N 0 0 444.938 4.722 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)cc1Cl ZINC000064988916 569082940 /nfs/dbraw/zinc/08/29/40/569082940.db2.gz QVQBRBZATJXVDT-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN COc1ccc(CCC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000064989656 569083021 /nfs/dbraw/zinc/08/30/21/569083021.db2.gz IWDIDTXFMSHROQ-UHFFFAOYSA-N 0 0 448.950 4.801 50 0 IJAARN C[C@@H]1Cc2ccc(CNC(=O)c3ccccc3Br)cc2N1C(=O)c1ccccc1 ZINC000064989819 569083161 /nfs/dbraw/zinc/08/31/61/569083161.db2.gz BYAIQBPQPFMBMC-MRXNPFEDSA-N 0 0 449.348 4.971 50 0 IJAARN COc1ccc(C)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990630 569083296 /nfs/dbraw/zinc/08/32/96/569083296.db2.gz SOWOOJDDEMTOOR-SFHVURJKSA-N 0 0 429.520 4.917 50 0 IJAARN O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036352868 569083864 /nfs/dbraw/zinc/08/38/64/569083864.db2.gz PPRUZZRCIFYJSG-DEOSSOPVSA-N 0 0 443.522 4.984 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1OCc1ccccn1)CC(=O)N2 ZINC000036353372 569083955 /nfs/dbraw/zinc/08/39/55/569083955.db2.gz BKCXUYIBZHRGOY-QGZVFWFLSA-N 0 0 446.898 4.722 50 0 IJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036358345 569085062 /nfs/dbraw/zinc/08/50/62/569085062.db2.gz LITUBYQDSPNZRJ-DEOSSOPVSA-N 0 0 443.522 4.984 50 0 IJAARN CCc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(C)cc4)c3C)nc2C)cc1 ZINC000064998513 569085231 /nfs/dbraw/zinc/08/52/31/569085231.db2.gz OMVIXXWLCMWGGZ-UHFFFAOYSA-N 0 0 431.565 4.808 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)NCc4cccc(C)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000540 569086071 /nfs/dbraw/zinc/08/60/71/569086071.db2.gz AMSZVJKXEFNGAI-UHFFFAOYSA-N 0 0 428.532 4.539 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)CC(=O)N2 ZINC000036359756 569086534 /nfs/dbraw/zinc/08/65/34/569086534.db2.gz GGRAZAQNGFCQAX-CYBMUJFWSA-N 0 0 440.294 4.791 50 0 IJAARN Cc1ccc(-c2ccc(Nc3ccc(Cl)cc3)nn2)cc1S(=O)(=O)N1CCCC1 ZINC000065009126 569087887 /nfs/dbraw/zinc/08/78/87/569087887.db2.gz HQYJVNPIDHTUEF-UHFFFAOYSA-N 0 0 428.945 4.634 50 0 IJAARN CCCOc1c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2sc1C(=O)OC ZINC000065022990 569089805 /nfs/dbraw/zinc/08/98/05/569089805.db2.gz NNKJMNVKZSMWQR-UHFFFAOYSA-N 0 0 428.466 4.849 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025612 569090722 /nfs/dbraw/zinc/09/07/22/569090722.db2.gz GITOUMRVETXIJR-UHFFFAOYSA-N 0 0 438.487 4.779 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000065029797 569091104 /nfs/dbraw/zinc/09/11/04/569091104.db2.gz CNFASQGIIHPDRP-UHFFFAOYSA-N 0 0 430.867 4.517 50 0 IJAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(C(F)(F)F)cc4)C3)n[nH]2)cc1 ZINC000169753947 569093753 /nfs/dbraw/zinc/09/37/53/569093753.db2.gz GZAQPAJGFGVQCD-GOSISDBHSA-N 0 0 444.457 4.503 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1 ZINC000169759702 569094710 /nfs/dbraw/zinc/09/47/10/569094710.db2.gz MGTQCFWFHSQCER-QFIPXVFZSA-N 0 0 425.916 4.525 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(Br)cc2F)C1 ZINC000065059157 569095990 /nfs/dbraw/zinc/09/59/90/569095990.db2.gz WQKRKEPAICEZFQ-NRFANRHFSA-N 0 0 448.336 4.539 50 0 IJAARN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)NCc1ccc2c(c1)OCO2 ZINC000065061148 569096295 /nfs/dbraw/zinc/09/62/95/569096295.db2.gz LDGAACLTGBWMIT-UHFFFAOYSA-N 0 0 433.895 4.632 50 0 IJAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(Br)c(Br)s1 ZINC000036390708 569096935 /nfs/dbraw/zinc/09/69/35/569096935.db2.gz RXRRFYOQBBZHAL-UHFFFAOYSA-N 0 0 444.148 4.874 50 0 IJAARN CCCCCNC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000065074488 569098879 /nfs/dbraw/zinc/09/88/79/569098879.db2.gz UHPDYVFGADAZBP-UHFFFAOYSA-N 0 0 439.537 4.595 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000065074938 569099276 /nfs/dbraw/zinc/09/92/76/569099276.db2.gz JBQVAFMFUOUZEA-MHZLTWQESA-N 0 0 428.532 4.590 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000065074993 569099471 /nfs/dbraw/zinc/09/94/71/569099471.db2.gz IUZKWWROWCETSA-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2ccc(SC)cc2)c1 ZINC000065075310 569099619 /nfs/dbraw/zinc/09/96/19/569099619.db2.gz UDPYKYDIACJTIC-AREMUKBSSA-N 0 0 446.572 4.695 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065081287 569101468 /nfs/dbraw/zinc/10/14/68/569101468.db2.gz XRSUCNDBZQIMPC-GOSISDBHSA-N 0 0 431.565 4.954 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCC1CCCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082864 569102491 /nfs/dbraw/zinc/10/24/91/569102491.db2.gz CDPLRTJXHDJFGY-IBGZPJMESA-N 0 0 426.944 4.840 50 0 IJAARN Cc1ccccc1CNC(=O)[C@H]1COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2C1 ZINC000065082861 569102506 /nfs/dbraw/zinc/10/25/06/569102506.db2.gz MLKWJVPAYQWLCH-HXUWFJFHSA-N 0 0 434.923 4.768 50 0 IJAARN CCc1nc(-c2cccc(-c3noc([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4)n3)c2)cs1 ZINC000065098233 569104698 /nfs/dbraw/zinc/10/46/98/569104698.db2.gz CMANAMZFBLUWTA-QGZVFWFLSA-N 0 0 446.532 4.952 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099449 569105192 /nfs/dbraw/zinc/10/51/92/569105192.db2.gz GLIUEPDBEYLDFJ-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN COc1ccc(CN(C)C(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000006906440 569105841 /nfs/dbraw/zinc/10/58/41/569105841.db2.gz BGLAMELOVAWXHG-UHFFFAOYSA-N 0 0 429.557 4.828 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c1 ZINC000006905943 569105842 /nfs/dbraw/zinc/10/58/42/569105842.db2.gz FNBWFOHAQWEYMB-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCC[C@H](C)C2)n1 ZINC000065101744 569105950 /nfs/dbraw/zinc/10/59/50/569105950.db2.gz QNWDRYOPBUXBGU-LBPRGKRZSA-N 0 0 442.869 4.711 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c(=O)nc(NCc3cccs3)c3ccccc32)cc1 ZINC000065101959 569106039 /nfs/dbraw/zinc/10/60/39/569106039.db2.gz MRRZZWPHLBQHDZ-UHFFFAOYSA-N 0 0 432.549 4.832 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102661 569106067 /nfs/dbraw/zinc/10/60/67/569106067.db2.gz IMQWCJSIOPKMIW-FQEVSTJZSA-N 0 0 446.620 4.982 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC000065111951 569107766 /nfs/dbraw/zinc/10/77/66/569107766.db2.gz ZTKQCRMNXRIMTF-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3CCCC[C@H]3C)ncn2)c(Br)c1 ZINC000065133558 569110075 /nfs/dbraw/zinc/11/00/75/569110075.db2.gz MDTWNJGSADUHNV-CQSZACIVSA-N 0 0 435.391 4.657 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCc1ccc(F)cc1Cl ZINC000065136405 569110249 /nfs/dbraw/zinc/11/02/49/569110249.db2.gz MPTUTGBTCBPMBY-HNNXBMFYSA-N 0 0 435.902 4.959 50 0 IJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(Br)cc1F)CC2 ZINC000065149048 569110986 /nfs/dbraw/zinc/11/09/86/569110986.db2.gz CDGODZMEZCOYTF-UHFFFAOYSA-N 0 0 446.320 4.780 50 0 IJAARN O=C(CSc1nccc(N2CCc3ccccc3C2)n1)Nc1cccc(Cl)c1F ZINC000065151461 569111753 /nfs/dbraw/zinc/11/17/53/569111753.db2.gz NNFALSCDWSNUOX-UHFFFAOYSA-N 0 0 428.920 4.563 50 0 IJAARN CC(C)Cn1cc(CCNS(=O)(=O)c2cc(Cl)ccc2Cl)c2cccnc21 ZINC000065163294 569112483 /nfs/dbraw/zinc/11/24/83/569112483.db2.gz IDBAJNUKLBIGCJ-UHFFFAOYSA-N 0 0 426.369 4.520 50 0 IJAARN O=C(Nc1ccccc1Br)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168920 569112714 /nfs/dbraw/zinc/11/27/14/569112714.db2.gz GMIFAKDTISDROC-UHFFFAOYSA-N 0 0 427.277 4.635 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1)N1CCCC1 ZINC000065179874 569113600 /nfs/dbraw/zinc/11/36/00/569113600.db2.gz XZYVJZMSANXMJK-UHFFFAOYSA-N 0 0 444.934 4.646 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)s1 ZINC000065178472 569114449 /nfs/dbraw/zinc/11/44/49/569114449.db2.gz HGLLUPOWYVWJFP-IBGZPJMESA-N 0 0 426.582 4.614 50 0 IJAARN CC[C@@H](C(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCCC3)cc2)C1)c1ccccc1 ZINC000065178652 569114526 /nfs/dbraw/zinc/11/45/26/569114526.db2.gz JLOJIEBLFUDOTR-SQJMNOBHSA-N 0 0 434.580 4.734 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)cc1)N1CCCC1 ZINC000065178766 569114556 /nfs/dbraw/zinc/11/45/56/569114556.db2.gz GTSMNRLEYSZNCJ-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000065211680 569116680 /nfs/dbraw/zinc/11/66/80/569116680.db2.gz WRUMIQBFPXUVAI-UHFFFAOYSA-N 0 0 447.391 4.707 50 0 IJAARN O=C(CSc1ccncc1)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000065219432 569117246 /nfs/dbraw/zinc/11/72/46/569117246.db2.gz IYNVZNWOPGZVPU-UHFFFAOYSA-N 0 0 430.461 4.869 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1OC ZINC000036616303 569122761 /nfs/dbraw/zinc/12/27/61/569122761.db2.gz ATVBQBZADBVVMY-KRWDZBQOSA-N 0 0 444.535 4.605 50 0 IJAARN CCOc1ccc(C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc1OCC ZINC000065257887 569124252 /nfs/dbraw/zinc/12/42/52/569124252.db2.gz DZPNIERLLUSCOG-UHFFFAOYSA-N 0 0 436.512 4.518 50 0 IJAARN COc1ccccc1CC(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258531 569124493 /nfs/dbraw/zinc/12/44/93/569124493.db2.gz WYWRCCXAMGJDOD-UHFFFAOYSA-N 0 0 433.533 4.791 50 0 IJAARN CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC000013129379 569125275 /nfs/dbraw/zinc/12/52/75/569125275.db2.gz VEUSPMKBXWHXKI-UHFFFAOYSA-N 0 0 437.370 4.834 50 0 IJAARN COc1ccc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)cc1OC ZINC000524730659 569126038 /nfs/dbraw/zinc/12/60/38/569126038.db2.gz ROSFVTOCVCVWJZ-UHFFFAOYSA-N 0 0 434.400 4.947 50 0 biogenic IJAARN CCc1cc(C(=O)NCCc2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621743 569126404 /nfs/dbraw/zinc/12/64/04/569126404.db2.gz VMRJYRJEQVNPAI-UHFFFAOYSA-N 0 0 428.511 4.972 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(Cl)cc1)N2 ZINC000065298522 569131987 /nfs/dbraw/zinc/13/19/87/569131987.db2.gz JPDLDFDUXMGOCN-LJQANCHMSA-N 0 0 427.932 4.518 50 0 biogenic IJAARN CCC[C@@H](C)C(=O)N1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(C)c2)CC1 ZINC000065300452 569132272 /nfs/dbraw/zinc/13/22/72/569132272.db2.gz AMTGIOUWYGQDID-QGZVFWFLSA-N 0 0 425.602 4.574 50 0 IJAARN COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc(OC)c1OC ZINC000036705385 569134427 /nfs/dbraw/zinc/13/44/27/569134427.db2.gz FNMRWVCMEKDQBP-UHFFFAOYSA-N 0 0 449.463 4.739 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000036709385 569136354 /nfs/dbraw/zinc/13/63/54/569136354.db2.gz XYLSGAYKMSLMEA-UHFFFAOYSA-N 0 0 442.413 4.947 50 0 IJAARN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000065320912 569136368 /nfs/dbraw/zinc/13/63/68/569136368.db2.gz XFPLGLHNNMWYBL-QGZVFWFLSA-N 0 0 437.443 4.590 50 0 IJAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000065322218 569136643 /nfs/dbraw/zinc/13/66/43/569136643.db2.gz RCZJTNHNDKNUQG-UHFFFAOYSA-N 0 0 436.556 4.702 50 0 IJAARN Cc1cc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1Br ZINC000065588683 569139952 /nfs/dbraw/zinc/13/99/52/569139952.db2.gz KACPXJFQVCTQKS-HNNXBMFYSA-N 0 0 440.382 4.868 50 0 IJAARN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc(Br)cnc1Cl ZINC000170596830 569141897 /nfs/dbraw/zinc/14/18/97/569141897.db2.gz ZICVTKQKJVZWFU-UHFFFAOYSA-N 0 0 443.526 4.671 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCCN3C(=O)OC(C)(C)C)o2)cc1 ZINC000170601382 569143128 /nfs/dbraw/zinc/14/31/28/569143128.db2.gz UNLCWNSEEPBWPR-IBGZPJMESA-N 0 0 426.513 4.669 50 0 IJAARN O=C(COc1ccccc1Br)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000170605881 569143868 /nfs/dbraw/zinc/14/38/68/569143868.db2.gz WIQVCHPYHOEWJE-LJQANCHMSA-N 0 0 440.341 4.972 50 0 IJAARN C[C@@H]1S[C@@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)NCc2ccc(F)cc2)C1=O ZINC000037264216 569144110 /nfs/dbraw/zinc/14/41/10/569144110.db2.gz WEAQMVGYKRJHQV-RBZFPXEDSA-N 0 0 440.462 4.514 50 0 IJAARN CNC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)cc1 ZINC000170607163 569144287 /nfs/dbraw/zinc/14/42/87/569144287.db2.gz XGGHTRFDVDCUPN-UHFFFAOYSA-N 0 0 428.414 4.668 50 0 IJAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NCC1CC1 ZINC000037278530 569145441 /nfs/dbraw/zinc/14/54/41/569145441.db2.gz QVDYDNYDADRODG-UHFFFAOYSA-N 0 0 437.515 4.834 50 0 IJAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000037279259 569145486 /nfs/dbraw/zinc/14/54/86/569145486.db2.gz AXTRXAUNONFHHQ-UHFFFAOYSA-N 0 0 434.511 4.748 50 0 IJAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(OC)c2)c1 ZINC000037280360 569145829 /nfs/dbraw/zinc/14/58/29/569145829.db2.gz UTRQBLFIWIGXOG-UHFFFAOYSA-N 0 0 430.548 4.919 50 0 IJAARN CCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612690 569145916 /nfs/dbraw/zinc/14/59/16/569145916.db2.gz XAOFRGHSLIGJSC-LJQANCHMSA-N 0 0 443.956 4.706 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281110 569145997 /nfs/dbraw/zinc/14/59/97/569145997.db2.gz ZBEGHVWKNYCUPR-UQBPGWFLSA-N 0 0 434.580 4.563 50 0 IJAARN O[C@@H]1c2ccccc2OC[C@H]1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000170612994 569146131 /nfs/dbraw/zinc/14/61/31/569146131.db2.gz XEBOPZNSBCMXQV-FYYLOGMGSA-N 0 0 449.507 4.572 50 0 IJAARN COc1cccc2c1CCN(C(=O)Cc1csc(COc3ccc(Cl)cc3)n1)CC2 ZINC000170615840 569146590 /nfs/dbraw/zinc/14/65/90/569146590.db2.gz NMNFIQGQGRCGLM-UHFFFAOYSA-N 0 0 442.968 4.554 50 0 IJAARN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000170616031 569146831 /nfs/dbraw/zinc/14/68/31/569146831.db2.gz JJWTUOISFYSGBI-INIZCTEOSA-N 0 0 442.951 4.504 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccco1 ZINC000009869430 569149357 /nfs/dbraw/zinc/14/93/57/569149357.db2.gz AFBYWGGAGDGPFZ-HNNXBMFYSA-N 0 0 430.599 4.998 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)CSCCCOc2cc(C)cc(C)c2)cc1 ZINC000009882691 569149811 /nfs/dbraw/zinc/14/98/11/569149811.db2.gz AJTGVPWDXZLLDO-UHFFFAOYSA-N 0 0 428.598 4.926 50 0 IJAARN CN(CCCC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000009882887 569149860 /nfs/dbraw/zinc/14/98/60/569149860.db2.gz BOCYBLHNUOENKX-UHFFFAOYSA-N 0 0 442.512 4.657 50 0 IJAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000009883872 569150211 /nfs/dbraw/zinc/15/02/11/569150211.db2.gz QSYDIFCDIGVTGJ-UHFFFAOYSA-N 0 0 442.496 4.945 50 0 IJAARN CCN(CC)C(=O)[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1 ZINC000009910250 569150464 /nfs/dbraw/zinc/15/04/64/569150464.db2.gz CYROGPKMPVAZQP-QGZVFWFLSA-N 0 0 445.386 4.936 50 0 IJAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000071283220 569150664 /nfs/dbraw/zinc/15/06/64/569150664.db2.gz SFFGJIHVKUHDDW-UHFFFAOYSA-N 0 0 431.879 4.995 50 0 IJAARN COc1ccc(-c2cc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)ccc2OC)cc1 ZINC000010027859 569151807 /nfs/dbraw/zinc/15/18/07/569151807.db2.gz NEYJBQCHPXWMHX-WIYYLYMNSA-N 0 0 444.531 4.919 50 0 IJAARN CC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1CCOC)C(=O)Nc1ccc(F)cc1 ZINC000010029724 569151918 /nfs/dbraw/zinc/15/19/18/569151918.db2.gz KESZCWXAXBDYGG-GOSISDBHSA-N 0 0 448.951 4.893 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1F ZINC000010060016 569152338 /nfs/dbraw/zinc/15/23/38/569152338.db2.gz VSODAKTZOCAXOS-UHFFFAOYSA-N 0 0 442.512 4.894 50 0 IJAARN COc1ccc(/C=C/C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C)cc2)cc1 ZINC000010060268 569152448 /nfs/dbraw/zinc/15/24/48/569152448.db2.gz HCQPSXAYHJEIHK-SDNWHVSQSA-N 0 0 425.492 4.623 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3OC)C[C@H]2c2ccccc2)cc1 ZINC000010060390 569152613 /nfs/dbraw/zinc/15/26/13/569152613.db2.gz HJBSSOIXXIZYPH-XZOQPEGZSA-N 0 0 440.503 4.677 50 0 IJAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1OC ZINC000013511754 569155571 /nfs/dbraw/zinc/15/55/71/569155571.db2.gz ISSYLMCLXGNXEY-JWGURIENSA-N 0 0 449.576 4.642 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578803 569156011 /nfs/dbraw/zinc/15/60/11/569156011.db2.gz NRBZHTTXCTVXDG-MRXNPFEDSA-N 0 0 429.427 4.844 50 0 IJAARN O=C1C[C@H](Sc2ccc(NC(=S)Nc3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000013578827 569156044 /nfs/dbraw/zinc/15/60/44/569156044.db2.gz UOZQNTQNXLLNHJ-FQEVSTJZSA-N 0 0 433.558 4.920 50 0 IJAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000013579441 569156287 /nfs/dbraw/zinc/15/62/87/569156287.db2.gz GXEPATTWXWHCET-UHFFFAOYSA-N 0 0 430.504 4.534 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000014019256 569157558 /nfs/dbraw/zinc/15/75/58/569157558.db2.gz QJJGSGDCSBMTCH-GFCCVEGCSA-N 0 0 447.771 4.686 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2Sc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000014225606 569158236 /nfs/dbraw/zinc/15/82/36/569158236.db2.gz SYCZYFAKDLMCHG-UHFFFAOYSA-N 0 0 442.426 4.642 50 0 IJAARN COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000014426504 569159083 /nfs/dbraw/zinc/15/90/83/569159083.db2.gz IHLLQBOTFWQSRA-CALCHBBNSA-N 0 0 444.597 4.539 50 0 IJAARN Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000089629611 569160147 /nfs/dbraw/zinc/16/01/47/569160147.db2.gz OWILIGQNKUXQFM-UHFFFAOYSA-N 0 0 444.531 4.587 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000014665325 569161280 /nfs/dbraw/zinc/16/12/80/569161280.db2.gz LEDTUASNKRSKLH-UHFFFAOYSA-N 0 0 440.521 4.575 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)cc1Cl ZINC000016843845 569163680 /nfs/dbraw/zinc/16/36/80/569163680.db2.gz UYGVUEFURVIXCT-UHFFFAOYSA-N 0 0 429.904 4.913 50 0 IJAARN COc1ccc(NC(=O)Nc2nc(CCC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000016849126 569164546 /nfs/dbraw/zinc/16/45/46/569164546.db2.gz SCMMRRQENBMCGF-UHFFFAOYSA-N 0 0 428.558 4.735 50 0 IJAARN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000089851162 569166156 /nfs/dbraw/zinc/16/61/56/569166156.db2.gz WGHFIGVHVSZNEW-UHFFFAOYSA-N 0 0 432.998 4.575 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016944689 569166943 /nfs/dbraw/zinc/16/69/43/569166943.db2.gz NOLPJMFTJAJRAW-UHFFFAOYSA-N 0 0 437.443 4.639 50 0 IJAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc1OC ZINC000016959979 569168104 /nfs/dbraw/zinc/16/81/04/569168104.db2.gz XFJKZXKCXLJFDN-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN CC[C@@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000089948611 569168574 /nfs/dbraw/zinc/16/85/74/569168574.db2.gz QOLZEBCLOGXWPJ-YLJYHZDGSA-N 0 0 441.597 4.998 50 0 IJAARN COc1ccc(-c2nc(C)c(CCNC(=O)c3ccccc3Br)s2)cc1 ZINC000016992139 569169666 /nfs/dbraw/zinc/16/96/66/569169666.db2.gz FAEAWWMNTPGQLS-UHFFFAOYSA-N 0 0 431.355 4.862 50 0 IJAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1OC ZINC000017012027 569170474 /nfs/dbraw/zinc/17/04/74/569170474.db2.gz NIPYLPVEZHHREZ-UHFFFAOYSA-N 0 0 440.550 4.564 50 0 IJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000017013299 569170778 /nfs/dbraw/zinc/17/07/78/569170778.db2.gz TUIZPAPMYHGXSQ-UHFFFAOYSA-N 0 0 445.567 4.915 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037356085 569171374 /nfs/dbraw/zinc/17/13/74/569171374.db2.gz YHHNCZDYINHEBG-OAHLLOKOSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000017051853 569171878 /nfs/dbraw/zinc/17/18/78/569171878.db2.gz DVYYLQDGEPBWSM-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)c4cccc(Cl)c4)[C@H](C)C3)ncn2)c1 ZINC000037356236 569171965 /nfs/dbraw/zinc/17/19/65/569171965.db2.gz CPSGTHFCSOWVFZ-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037356408 569172114 /nfs/dbraw/zinc/17/21/14/569172114.db2.gz RKZWFCAKEXOUCB-AWEZNQCLSA-N 0 0 444.869 4.551 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@@H]1C ZINC000037356805 569172698 /nfs/dbraw/zinc/17/26/98/569172698.db2.gz BZMHVEWDBUBRFS-RBUKOAKNSA-N 0 0 428.552 4.970 50 0 IJAARN O=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000017150022 569174953 /nfs/dbraw/zinc/17/49/53/569174953.db2.gz BGBAFAFMMVDPMQ-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000000980276 569176427 /nfs/dbraw/zinc/17/64/27/569176427.db2.gz SCFNNSSXPVARLK-QGZVFWFLSA-N 0 0 442.968 4.797 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000001122721 569176861 /nfs/dbraw/zinc/17/68/61/569176861.db2.gz JGOLSYBEYUUCQE-UHFFFAOYSA-N 0 0 436.261 4.607 50 0 IJAARN O=C(c1ccccc1)[C@@]12c3ccccc3N(c3ccccc3)[C@@]1(c1ccccc1)NC(=O)C2=O ZINC000002077891 569177096 /nfs/dbraw/zinc/17/70/96/569177096.db2.gz IQRAQHOHYXVUSC-FQLXRVMXSA-N 0 0 444.490 4.511 50 0 IJAARN Cc1ccc(Sc2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)s2)cc1 ZINC000002709065 569177359 /nfs/dbraw/zinc/17/73/59/569177359.db2.gz AWVMBQKKPFYDJY-UHFFFAOYSA-N 0 0 446.619 4.581 50 0 IJAARN Cc1ccc(OCc2nc(CC(=O)N3CCCN(C)c4ccc(F)cc43)cs2)cc1 ZINC000170636558 569178071 /nfs/dbraw/zinc/17/80/71/569178071.db2.gz MIDQWWPKQLWQOY-UHFFFAOYSA-N 0 0 425.529 4.585 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000002093038 569178969 /nfs/dbraw/zinc/17/89/69/569178969.db2.gz WLDZSRQOVLZRCO-FQEVSTJZSA-N 0 0 431.529 4.899 50 0 biogenic IJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC000002093612 569178984 /nfs/dbraw/zinc/17/89/84/569178984.db2.gz WIDZCZADYHHCEZ-NRFANRHFSA-N 0 0 431.529 4.899 50 0 biogenic IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)c12 ZINC000002095367 569179128 /nfs/dbraw/zinc/17/91/28/569179128.db2.gz CQGHIAYMASTDEX-QHCPKHFHSA-N 0 0 437.492 4.520 50 0 biogenic IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccnc2)cc1 ZINC000000796426 569180333 /nfs/dbraw/zinc/18/03/33/569180333.db2.gz NABSLJXEPYHYDR-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN CCCCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1 ZINC000002533435 569180911 /nfs/dbraw/zinc/18/09/11/569180911.db2.gz CEAUOSPCLJQEQM-XSFVSMFZSA-N 0 0 431.517 4.599 50 0 IJAARN COc1cccc(-c2nc(NCc3ccccc3)nc3nn(-c4cccc(C)c4)c(N)c32)c1 ZINC000037361247 569181579 /nfs/dbraw/zinc/18/15/79/569181579.db2.gz XIEFRDQRIKZHNN-UHFFFAOYSA-N 0 0 436.519 4.994 50 0 IJAARN O=C1CN(C2CCCCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002113310 569182065 /nfs/dbraw/zinc/18/20/65/569182065.db2.gz YAQKSTRKTJPXOJ-IGKIAQTJSA-N 0 0 441.575 4.966 50 0 biogenic IJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4cccc(C)c4)N3C2=O)cc1 ZINC000002119620 569182866 /nfs/dbraw/zinc/18/28/66/569182866.db2.gz SKPJULCXIVISIG-ZCYQVOJMSA-N 0 0 437.499 4.968 50 0 biogenic IJAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4cccs4)nc3c12 ZINC000009419982 569183051 /nfs/dbraw/zinc/18/30/51/569183051.db2.gz VEMRKWFVDAXTLT-UHFFFAOYSA-N 0 0 425.315 4.571 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c1 ZINC000001170720 569185419 /nfs/dbraw/zinc/18/54/19/569185419.db2.gz DJFRLMKOHKSBKK-MRXNPFEDSA-N 0 0 448.778 4.855 50 0 IJAARN Cc1cccc(-c2nc(N3CCC(C)CC3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037375705 569185467 /nfs/dbraw/zinc/18/54/67/569185467.db2.gz JSHRPXWWDBWLLA-UHFFFAOYSA-N 0 0 434.494 4.888 50 0 IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376756 569185652 /nfs/dbraw/zinc/18/56/52/569185652.db2.gz OFMDBLRAOPUFHY-UHFFFAOYSA-N 0 0 440.885 4.987 50 0 IJAARN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000252477956 569186051 /nfs/dbraw/zinc/18/60/51/569186051.db2.gz YOAXKCCPGHNSNS-JHNDHUHGSA-N 0 0 426.479 4.713 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000002155319 569187449 /nfs/dbraw/zinc/18/74/49/569187449.db2.gz GUBSCACWBQZAEU-XMMPIXPASA-N 0 0 441.483 4.598 50 0 biogenic IJAARN CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 ZINC000011666596 569188408 /nfs/dbraw/zinc/18/84/08/569188408.db2.gz ZGLVNKAMUMLBFQ-GOSISDBHSA-N 0 0 442.943 4.526 50 0 IJAARN CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000252514941 569189203 /nfs/dbraw/zinc/18/92/03/569189203.db2.gz FIFZLXLLQBVZQJ-QMTMVMCOSA-N 0 0 436.861 4.726 50 0 IJAARN CCCCCCNC(=O)CSC1=N/C(=C/c2ccccc2F)C(=O)N1c1ccccc1 ZINC000002184452 569190438 /nfs/dbraw/zinc/19/04/38/569190438.db2.gz YOMXDQACDPTBRF-LTGZKZEYSA-N 0 0 439.556 4.999 50 0 IJAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000002193506 569190949 /nfs/dbraw/zinc/19/09/49/569190949.db2.gz SWMLUQMAQMLVTQ-GOSISDBHSA-N 0 0 443.883 4.674 50 0 IJAARN Cc1cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002195171 569191415 /nfs/dbraw/zinc/19/14/15/569191415.db2.gz OBHYRTHFHJGQCD-UHFFFAOYSA-N 0 0 443.540 4.971 50 0 IJAARN CCN1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380198 569191588 /nfs/dbraw/zinc/19/15/88/569191588.db2.gz ZGWPGVGYGWPFJY-NRFANRHFSA-N 0 0 443.513 4.883 50 0 IJAARN O=C(Cc1ccc(F)cc1)NCCNc1nc(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000037383785 569191969 /nfs/dbraw/zinc/19/19/69/569191969.db2.gz SVLUIOFXYLRYGS-UHFFFAOYSA-N 0 0 448.929 4.784 50 0 IJAARN O=C(NCCNc1nc(-c2ccco2)nc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000037382763 569192036 /nfs/dbraw/zinc/19/20/36/569192036.db2.gz KDJAKEGFXQXRSA-UHFFFAOYSA-N 0 0 426.398 4.751 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000037385319 569192406 /nfs/dbraw/zinc/19/24/06/569192406.db2.gz SJOKDUONEMRTKX-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN O=C(N=c1sc(C(=O)c2cccs2)nn1-c1ccc(Cl)cc1)c1ccccc1 ZINC000252601428 569193874 /nfs/dbraw/zinc/19/38/74/569193874.db2.gz FALPVVOPFJDMIR-UHFFFAOYSA-N 0 0 425.922 4.621 50 0 IJAARN CCS(=O)(=O)Oc1ccccc1CN(Cc1ccc(F)cc1)C(=O)c1ccccc1F ZINC000037400223 569194773 /nfs/dbraw/zinc/19/47/73/569194773.db2.gz NWEATJCCCBZOLH-UHFFFAOYSA-N 0 0 445.487 4.536 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2cccc(CN(C(=O)c3cccs3)C(C)C)c2)cc1 ZINC000037400901 569195060 /nfs/dbraw/zinc/19/50/60/569195060.db2.gz VDUNBPCHEFUBFM-UHFFFAOYSA-N 0 0 445.562 4.575 50 0 IJAARN COc1ccccc1NC(=O)N(Cc1cccc(OS(=O)(=O)C(C)C)c1)CC(C)C ZINC000037401468 569195151 /nfs/dbraw/zinc/19/51/51/569195151.db2.gz QGMQDJGVYVYIJN-UHFFFAOYSA-N 0 0 434.558 4.502 50 0 IJAARN CC(C)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)C1CCC1 ZINC000037422404 569195529 /nfs/dbraw/zinc/19/55/29/569195529.db2.gz OZYHVCIQARWKMJ-UHFFFAOYSA-N 0 0 439.936 4.784 50 0 IJAARN CC[C@H](C(=O)N1CCCC1)n1c(C)c(C)s/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428104 569196021 /nfs/dbraw/zinc/19/60/21/569196021.db2.gz APGWYBFXUHYWNM-HLGQQVFSSA-N 0 0 440.396 4.788 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)C3CCCC3)C2)cc1OC ZINC000037440249 569196662 /nfs/dbraw/zinc/19/66/62/569196662.db2.gz QBWFPJQVKLNOSA-NRFANRHFSA-N 0 0 440.515 4.555 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000037443375 569197128 /nfs/dbraw/zinc/19/71/28/569197128.db2.gz QPRNWNZDWQHSGN-MIAKESKMSA-N 0 0 425.573 4.867 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664632 569197193 /nfs/dbraw/zinc/19/71/93/569197193.db2.gz MNWKOVXZYAPSDN-NBGIEHNGSA-N 0 0 425.536 4.915 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000037444200 569197209 /nfs/dbraw/zinc/19/72/09/569197209.db2.gz ZHQVPZVOIQSRBO-ZOIIRCJOSA-N 0 0 445.563 4.858 50 0 IJAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000037525544 569198812 /nfs/dbraw/zinc/19/88/12/569198812.db2.gz OIRILLUQUVDXJJ-REWPJTCUSA-N 0 0 435.612 4.741 50 0 IJAARN CC(C)N(C)C(=O)c1ccccc1N1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000037525230 569198995 /nfs/dbraw/zinc/19/89/95/569198995.db2.gz UDEJZHYJIFLWCM-UHFFFAOYSA-N 0 0 428.964 4.611 50 0 IJAARN CC(=O)N1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000037525942 569199117 /nfs/dbraw/zinc/19/91/17/569199117.db2.gz IAOCIHJSOCKLNY-UHFFFAOYSA-N 0 0 437.609 4.661 50 0 IJAARN CCCNC(=O)c1cc2scc(Br)c2n1Cc1cc(OC)cc(OC)c1 ZINC000037543045 569199490 /nfs/dbraw/zinc/19/94/90/569199490.db2.gz QOTASKSRBMNIFY-UHFFFAOYSA-N 0 0 437.359 4.671 50 0 IJAARN C/C=C/Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sc(Br)cc21 ZINC000037542102 569199721 /nfs/dbraw/zinc/19/97/21/569199721.db2.gz MMXDEEKOUBBMMK-NSCUHMNNSA-N 0 0 433.327 4.700 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC[C@H]3CCCO3)c2Oc2cccc(C)c2)cc1 ZINC000037546967 569199840 /nfs/dbraw/zinc/19/98/40/569199840.db2.gz IRPOHYSTCBLOIZ-HSZRJFAPSA-N 0 0 449.551 4.518 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037547039 569199852 /nfs/dbraw/zinc/19/98/52/569199852.db2.gz KBQCWJNQOGPXDB-QFIPXVFZSA-N 0 0 437.515 4.648 50 0 IJAARN COc1ccccc1Oc1c(CCC(=O)NCC(C)C)c(C)nn1-c1ccc(F)cc1 ZINC000037547343 569200131 /nfs/dbraw/zinc/20/01/31/569200131.db2.gz ZFUQTMIRMQLFMK-UHFFFAOYSA-N 0 0 425.504 4.826 50 0 IJAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000037557017 569200654 /nfs/dbraw/zinc/20/06/54/569200654.db2.gz TWMSWIRZKGZATH-HSZRJFAPSA-N 0 0 448.588 4.741 50 0 IJAARN COc1ccc([C@H]2CC(=O)N(Cc3ccc(F)cc3)C(C)=C2C(=O)OC(C)C)c(OC)c1 ZINC000037576767 569201405 /nfs/dbraw/zinc/20/14/05/569201405.db2.gz DZYBRANFBLIRLS-OAQYLSRUSA-N 0 0 441.499 4.585 50 0 IJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 ZINC000002212208 569201492 /nfs/dbraw/zinc/20/14/92/569201492.db2.gz ZXBYDTXLAZFCAE-UHFFFAOYSA-N 0 0 447.516 4.953 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NCC1CC1 ZINC000037601314 569202363 /nfs/dbraw/zinc/20/23/63/569202363.db2.gz GKHSWDQPZVUNBS-XNMGPUDCSA-N 0 0 448.607 4.890 50 0 IJAARN CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000037603885 569202679 /nfs/dbraw/zinc/20/26/79/569202679.db2.gz KVBDQRZGRFUKFK-KBMIEXCESA-N 0 0 446.547 4.622 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2)c(=O)n1-c1cccc(Cl)c1)CCCC3 ZINC000002214859 569202795 /nfs/dbraw/zinc/20/27/95/569202795.db2.gz VXEBYMPUMKAMHE-UHFFFAOYSA-N 0 0 440.927 4.934 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(OCC(=O)N(C)C(C)C)cc2[C@H]1c1ccc(F)cc1 ZINC000037604602 569202836 /nfs/dbraw/zinc/20/28/36/569202836.db2.gz HRSMIWMFENFBMN-AREMUKBSSA-N 0 0 440.559 4.592 50 0 IJAARN CCN(CC)C(=O)COc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037604154 569202885 /nfs/dbraw/zinc/20/28/85/569202885.db2.gz KCIYIRJBFUMQPL-AREMUKBSSA-N 0 0 440.559 4.593 50 0 IJAARN CCc1c(C)c2ccc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)cc2oc1=O ZINC000002216288 569203595 /nfs/dbraw/zinc/20/35/95/569203595.db2.gz QBEXDVVNNUJYMV-UHFFFAOYSA-N 0 0 443.540 4.900 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002220891 569204467 /nfs/dbraw/zinc/20/44/67/569204467.db2.gz YNIVNIPSFRYEMU-UHFFFAOYSA-N 0 0 446.507 4.537 50 0 IJAARN Cc1cccc(OCCCOc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000252667373 569209720 /nfs/dbraw/zinc/20/97/20/569209720.db2.gz CWXRFAWHSAITMQ-UHFFFAOYSA-N 0 0 442.540 4.613 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002236506 569212392 /nfs/dbraw/zinc/21/23/92/569212392.db2.gz OVUDCJRSEFJEMQ-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN CCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccc(OC)c(OC)c1 ZINC000002722436 569212703 /nfs/dbraw/zinc/21/27/03/569212703.db2.gz VAUFBZFZWSXHAS-UHFFFAOYSA-N 0 0 429.561 4.572 50 0 IJAARN CCC[C@H]1Cc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)nc(N)c32)CO1 ZINC000002239024 569212888 /nfs/dbraw/zinc/21/28/88/569212888.db2.gz IKRFZFXFKNOYKW-AWEZNQCLSA-N 0 0 428.583 4.554 50 0 IJAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002264545 569216059 /nfs/dbraw/zinc/21/60/59/569216059.db2.gz SYRSAUYAJDTFQJ-UHFFFAOYSA-N 0 0 426.451 4.711 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002265119 569216221 /nfs/dbraw/zinc/21/62/21/569216221.db2.gz YYRQIMZRSBVKEA-OAHLLOKOSA-N 0 0 446.507 4.536 50 0 IJAARN CCOC(=O)c1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002265120 569216222 /nfs/dbraw/zinc/21/62/22/569216222.db2.gz YYRQIMZRSBVKEA-HNNXBMFYSA-N 0 0 446.507 4.536 50 0 IJAARN CCN(CC)c1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 ZINC000002255090 569216843 /nfs/dbraw/zinc/21/68/43/569216843.db2.gz KXRMERNXISMYBO-UHFFFAOYSA-N 0 0 442.567 4.675 50 0 IJAARN CC(C)(C)OC(=O)c1c(N)n(CCc2c[nH]c3ccccc23)c2nc3ccccc3nc21 ZINC000002256628 569217001 /nfs/dbraw/zinc/21/70/01/569217001.db2.gz NHSXFPBRQDJNEU-UHFFFAOYSA-N 0 0 427.508 4.846 50 0 IJAARN COc1ccc(-c2nnc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)cc1 ZINC000002280004 569217982 /nfs/dbraw/zinc/21/79/82/569217982.db2.gz QGWDUPUBONTDQT-UHFFFAOYSA-N 0 0 437.503 4.847 50 0 IJAARN COC(=O)c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)cc1 ZINC000253405386 569265327 /nfs/dbraw/zinc/26/53/27/569265327.db2.gz IGRZAMVKZGKWNA-IBGZPJMESA-N 0 0 444.414 4.827 50 0 biogenic IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnoc3-c3ccc(F)cc3Cl)C[C@@H]12 ZINC000253418313 569266707 /nfs/dbraw/zinc/26/67/07/569266707.db2.gz LQLHDFORJLYJLM-XHBKTUGNSA-N 0 0 449.910 4.509 50 0 IJAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2O)c1 ZINC000002327219 569274443 /nfs/dbraw/zinc/27/44/43/569274443.db2.gz DYVMPGODQJMPLQ-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN Cc1ccc(Oc2ccccc2/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)cc1 ZINC000253470629 569282409 /nfs/dbraw/zinc/28/24/09/569282409.db2.gz SBNRDRHBKDHEJL-PXLXIMEGSA-N 0 0 425.513 4.775 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253530693 569283840 /nfs/dbraw/zinc/28/38/40/569283840.db2.gz PZNPHSFXILSZTM-RULGZRMESA-N 0 0 432.645 4.765 50 0 biogenic IJAARN C[C@H](NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002353851 569285775 /nfs/dbraw/zinc/28/57/75/569285775.db2.gz SXSKZELZPLBHEQ-INIZCTEOSA-N 0 0 439.494 4.845 50 0 IJAARN Cc1cc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)n(-c2ccccc2)n1 ZINC000002360569 569286864 /nfs/dbraw/zinc/28/68/64/569286864.db2.gz OMPHZOCFOCUCOI-UHFFFAOYSA-N 0 0 442.363 4.844 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000002368952 569288773 /nfs/dbraw/zinc/28/87/73/569288773.db2.gz MTBZXNORXGSVCY-UHFFFAOYSA-N 0 0 442.759 4.658 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000002368974 569288799 /nfs/dbraw/zinc/28/87/99/569288799.db2.gz DCMQAYLVLAMEML-UHFFFAOYSA-N 0 0 429.977 4.649 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002371780 569289123 /nfs/dbraw/zinc/28/91/23/569289123.db2.gz ANBCGROGPGWHMZ-UHFFFAOYSA-N 0 0 446.507 4.681 50 0 IJAARN CN(C(=O)Cn1c2ccccc2nc1C[S@](=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000008855345 569291177 /nfs/dbraw/zinc/29/11/77/569291177.db2.gz VMGBNMKSOZCBMK-SSEXGKCCSA-N 0 0 437.952 4.661 50 0 IJAARN COCCOc1cc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC000008888119 569291874 /nfs/dbraw/zinc/29/18/74/569291874.db2.gz MVIHMHUYCAHRSD-UHFFFAOYSA-N 0 0 434.110 4.968 50 0 IJAARN CCc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002387602 569295489 /nfs/dbraw/zinc/29/54/89/569295489.db2.gz FPQVGOAJFUFUJW-UHFFFAOYSA-N 0 0 427.533 4.710 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000027756037 569296812 /nfs/dbraw/zinc/29/68/12/569296812.db2.gz WLIWQKSANXLCQH-GOSISDBHSA-N 0 0 448.371 4.976 50 0 IJAARN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002395975 569298482 /nfs/dbraw/zinc/29/84/82/569298482.db2.gz GZQGBZYYXQZHMB-MRXNPFEDSA-N 0 0 435.904 4.534 50 0 IJAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)N3CCCCC3)c2c2c1CCC2 ZINC000002401378 569299620 /nfs/dbraw/zinc/29/96/20/569299620.db2.gz CRFNNYPKZRXCHI-UHFFFAOYSA-N 0 0 426.611 4.956 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1Cc1ccco1 ZINC000002404004 569299890 /nfs/dbraw/zinc/29/98/90/569299890.db2.gz HGXHYNZWJJETEE-LJQANCHMSA-N 0 0 436.261 4.894 50 0 IJAARN CCCCc1nc2sc3c(nc(SC)nc3NCC(OC)OC)c2c2c1CCC2 ZINC000002409980 569300618 /nfs/dbraw/zinc/30/06/18/569300618.db2.gz XJYVLUPSUTZWEO-UHFFFAOYSA-N 0 0 432.615 4.824 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002410495 569300841 /nfs/dbraw/zinc/30/08/41/569300841.db2.gz QWYIXEWCZBQMBM-GOSISDBHSA-N 0 0 438.892 4.970 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(N)n([C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002430606 569303311 /nfs/dbraw/zinc/30/33/11/569303311.db2.gz PKFZBCHGQBUTGX-KRWDZBQOSA-N 0 0 442.544 4.917 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000002449637 569304798 /nfs/dbraw/zinc/30/47/98/569304798.db2.gz RGRANSDFNJCTOH-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002452641 569305320 /nfs/dbraw/zinc/30/53/20/569305320.db2.gz RGPCVDRAPNEGAZ-AWEZNQCLSA-N 0 0 442.606 4.863 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000013004723 569306311 /nfs/dbraw/zinc/30/63/11/569306311.db2.gz OHRQCJPQVIMQHU-UHFFFAOYSA-N 0 0 446.613 4.649 50 0 IJAARN COc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)c1 ZINC000013009915 569306559 /nfs/dbraw/zinc/30/65/59/569306559.db2.gz XTIUMWMUYMUJSQ-UHFFFAOYSA-N 0 0 443.511 4.984 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4Br)cc3)nn2)n1 ZINC000013009661 569306635 /nfs/dbraw/zinc/30/66/35/569306635.db2.gz AWAPGDZCQMLWAT-UHFFFAOYSA-N 0 0 449.312 4.729 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)c2csc(COc3ccc(Cl)cc3)n2)c(C)c1 ZINC000013012618 569307031 /nfs/dbraw/zinc/30/70/31/569307031.db2.gz VKBCDXLSVBYQRB-UHFFFAOYSA-N 0 0 443.956 4.669 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013017847 569307251 /nfs/dbraw/zinc/30/72/51/569307251.db2.gz BTQFLKNZSNDDFY-UHFFFAOYSA-N 0 0 439.002 4.879 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013040074 569308039 /nfs/dbraw/zinc/30/80/39/569308039.db2.gz IGSILUWOONGJEN-UHFFFAOYSA-N 0 0 448.272 4.700 50 0 IJAARN CCn1c(=S)n(CN(C)Cc2ccc(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 ZINC000013069281 569308951 /nfs/dbraw/zinc/30/89/51/569308951.db2.gz KPZHXPLBSYSUNQ-UHFFFAOYSA-N 0 0 432.977 4.861 50 0 IJAARN CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013097826 569309824 /nfs/dbraw/zinc/30/98/24/569309824.db2.gz IDFRRQOVTLFYGP-LLVKDONJSA-N 0 0 434.489 4.994 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2cccs2)cc1OC ZINC000013116977 569310884 /nfs/dbraw/zinc/31/08/84/569310884.db2.gz TWUNAAJFOCBKEP-UHFFFAOYSA-N 0 0 447.560 4.650 50 0 IJAARN Cc1cc(OCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl ZINC000013126074 569311097 /nfs/dbraw/zinc/31/10/97/569311097.db2.gz KXORXAMGEXRWPB-UHFFFAOYSA-N 0 0 436.213 4.881 50 0 IJAARN Cc1ccc(C(=O)c2c(NC(=O)COC(=O)c3ccc(O)cc3)sc3c2CCCC3)cc1 ZINC000013141257 569311783 /nfs/dbraw/zinc/31/17/83/569311783.db2.gz OWEXKLSWXHTIDM-UHFFFAOYSA-N 0 0 449.528 4.667 50 0 IJAARN Cc1cc(C)nc(SC2=C(Nc3cccc(C)c3C)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000013149341 569312170 /nfs/dbraw/zinc/31/21/70/569312170.db2.gz YLRIBVNYIYXOMS-UHFFFAOYSA-N 0 0 444.560 4.695 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456678 569312971 /nfs/dbraw/zinc/31/29/71/569312971.db2.gz FYSIDOPODCYQKE-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1F ZINC000013359794 569313841 /nfs/dbraw/zinc/31/38/41/569313841.db2.gz YVYQGMAQEHKSKI-UHFFFAOYSA-N 0 0 425.485 4.530 50 0 IJAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369174 569314738 /nfs/dbraw/zinc/31/47/38/569314738.db2.gz LAVBSEHQEHKGFR-HNNXBMFYSA-N 0 0 433.895 4.963 50 0 IJAARN O=C(Nc1cccc(C(=O)NCCc2nc3cc(Cl)ccc3s2)c1)c1ccco1 ZINC000078624030 569316723 /nfs/dbraw/zinc/31/67/23/569316723.db2.gz IULKFXDDNJVFMT-UHFFFAOYSA-N 0 0 425.897 4.768 50 0 IJAARN COC(=O)c1cn(CC(=O)Oc2ccc(C3SCCS3)cc2OC)c2ccccc12 ZINC000019295523 569316728 /nfs/dbraw/zinc/31/67/28/569316728.db2.gz NEQZIUVVOVALJV-UHFFFAOYSA-N 0 0 443.546 4.521 50 0 IJAARN C[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2ccccc2s1 ZINC000078714303 569318398 /nfs/dbraw/zinc/31/83/98/569318398.db2.gz OHXMHOKCIDAOTN-APPDUMDISA-N 0 0 431.970 4.673 50 0 IJAARN C[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc2ccccc2s1 ZINC000078714312 569318473 /nfs/dbraw/zinc/31/84/73/569318473.db2.gz OHXMHOKCIDAOTN-GTNSWQLSSA-N 0 0 431.970 4.673 50 0 IJAARN CSc1ccc(C(=O)CCC(=O)OCC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000019352328 569318750 /nfs/dbraw/zinc/31/87/50/569318750.db2.gz ZQMVMXQISZULLE-QGZVFWFLSA-N 0 0 435.545 4.945 50 0 IJAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078729633 569318751 /nfs/dbraw/zinc/31/87/51/569318751.db2.gz FRBXVHPTVVPPBX-RPWUZVMVSA-N 0 0 444.531 4.513 50 0 IJAARN CCOc1cc(C(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc(OCC)c1OCC ZINC000078967017 569320647 /nfs/dbraw/zinc/32/06/47/569320647.db2.gz VQKXAALWEVTYLV-REWPJTCUSA-N 0 0 427.541 4.841 50 0 IJAARN CCOc1cc(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc(OCC)c1OCC ZINC000078967011 569320677 /nfs/dbraw/zinc/32/06/77/569320677.db2.gz VQKXAALWEVTYLV-OFNKIYASSA-N 0 0 427.541 4.841 50 0 IJAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(Oc4ccc5c[nH]nc5c4)c23)c1 ZINC000079016321 569322079 /nfs/dbraw/zinc/32/20/79/569322079.db2.gz MFFDOTXUXLWCRN-UHFFFAOYSA-N 0 0 449.561 4.921 50 0 IJAARN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccccc1)N1CCN(C)CC1 ZINC000019880262 569331630 /nfs/dbraw/zinc/33/16/30/569331630.db2.gz VNRUTIFIWNEGGV-DEOSSOPVSA-N 0 0 449.620 4.963 50 0 IJAARN CCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1cc(C)ccc1C ZINC000020104620 569334152 /nfs/dbraw/zinc/33/41/52/569334152.db2.gz LJECCLSNDPZBMS-UHFFFAOYSA-N 0 0 436.552 4.958 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020114448 569334763 /nfs/dbraw/zinc/33/47/63/569334763.db2.gz BQHXOOVEFCTNLP-GBXCKJPGSA-N 0 0 434.467 4.576 50 0 IJAARN CCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(Cl)ccc1OC(F)F ZINC000020133515 569335545 /nfs/dbraw/zinc/33/55/45/569335545.db2.gz HEISNHIKRYMFPI-MRXNPFEDSA-N 0 0 426.851 4.555 50 0 IJAARN CCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(Cl)ccc1OC(F)F ZINC000020133518 569335576 /nfs/dbraw/zinc/33/55/76/569335576.db2.gz HEISNHIKRYMFPI-INIZCTEOSA-N 0 0 426.851 4.555 50 0 IJAARN O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000020138965 569336077 /nfs/dbraw/zinc/33/60/77/569336077.db2.gz YRJKZUQQKTZWGG-UHFFFAOYSA-N 0 0 436.842 4.934 50 0 IJAARN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000020154101 569353561 /nfs/dbraw/zinc/35/35/61/569353561.db2.gz JTQYDODXLMMPFF-ZEQRLZLVSA-N 0 0 427.479 4.867 50 0 IJAARN CCOC(=O)C[C@H](NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2)c1ccc(C)cc1 ZINC000020216287 569356650 /nfs/dbraw/zinc/35/66/50/569356650.db2.gz WIDGWYXNAQPFHV-QHCPKHFHSA-N 0 0 448.563 4.708 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240650 569357782 /nfs/dbraw/zinc/35/77/82/569357782.db2.gz YGMRDGPKUSXIHX-GUYCJALGSA-N 0 0 429.460 4.581 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000095348894 569361653 /nfs/dbraw/zinc/36/16/53/569361653.db2.gz WVAJXSAWWUEJHI-GGAORHGYSA-N 0 0 432.545 4.794 50 0 IJAARN COc1ccc(CS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(Br)c1OC ZINC000095364803 569362411 /nfs/dbraw/zinc/36/24/11/569362411.db2.gz KKGDFVQYOBNSLI-UHFFFAOYSA-N 0 0 441.387 4.982 50 0 IJAARN Brc1ccc(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000080346178 569362761 /nfs/dbraw/zinc/36/27/61/569362761.db2.gz YNAUPEIGPQQMRN-UHFFFAOYSA-N 0 0 445.386 4.995 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c(C)n1Cc1ccccc1F ZINC000020417512 569365076 /nfs/dbraw/zinc/36/50/76/569365076.db2.gz BGROJEMJTBQMFG-UHFFFAOYSA-N 0 0 446.526 4.764 50 0 IJAARN O=C1S/C(=C\c2ccc(I)o2)C(=O)N1c1cccc(Cl)c1 ZINC000020437344 569365540 /nfs/dbraw/zinc/36/55/40/569365540.db2.gz CCIPKEPWYCCCDR-XFFZJAGNSA-N 0 0 431.638 4.779 50 0 IJAARN COc1ccc(-c2nnc(SCC3(CSC)CCOCC3)n2Cc2ccco2)cc1 ZINC000095440607 569366578 /nfs/dbraw/zinc/36/65/78/569366578.db2.gz KXBALFKDSIFKFG-UHFFFAOYSA-N 0 0 445.610 4.847 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000095451218 569367756 /nfs/dbraw/zinc/36/77/56/569367756.db2.gz JAMWSSANMSMGEJ-QFBILLFUSA-N 0 0 432.854 4.540 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(CNC(N)=O)cc2)c(C)c1 ZINC000095467765 569371189 /nfs/dbraw/zinc/37/11/89/569371189.db2.gz KKCVAACCTAZPCD-UHFFFAOYSA-N 0 0 425.536 4.937 50 0 IJAARN COC(=O)C[C@@H](c1oc(CSc2cccc(OC)c2)cc(=O)c1O)C1CCCCC1 ZINC000095475237 569372722 /nfs/dbraw/zinc/37/27/22/569372722.db2.gz AOLBDXOMQRNVQT-LJQANCHMSA-N 0 0 432.538 4.873 50 0 IJAARN COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000095475782 569372935 /nfs/dbraw/zinc/37/29/35/569372935.db2.gz ONKNYEDOFQMTNP-YJYMSZOUSA-N 0 0 447.557 4.631 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCCCO3)C[C@H](CC)CC2 ZINC000095482105 569374254 /nfs/dbraw/zinc/37/42/54/569374254.db2.gz WADMJDSTHNHNNJ-CQSZACIVSA-N 0 0 429.538 4.853 50 0 IJAARN COc1ccc(C(=O)CC(C)(C)CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000095940178 569375244 /nfs/dbraw/zinc/37/52/44/569375244.db2.gz SFVCAQQRKRZSGR-UHFFFAOYSA-N 0 0 439.556 4.531 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000095944701 569375782 /nfs/dbraw/zinc/37/57/82/569375782.db2.gz GYXLMVDZEHZGFN-HSZRJFAPSA-N 0 0 436.533 4.552 50 0 IJAARN O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000095953832 569376679 /nfs/dbraw/zinc/37/66/79/569376679.db2.gz MJEZNMIOCCMIBI-RDJZCZTQSA-N 0 0 437.842 4.697 50 0 IJAARN Cc1ccc(S(=O)(=O)CCc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[nH]2)cc1 ZINC000096008333 569379576 /nfs/dbraw/zinc/37/95/76/569379576.db2.gz OVIZUPKNSZJKSF-UHFFFAOYSA-N 0 0 444.965 4.630 50 0 IJAARN CCOc1cccc2cc(C(=O)NCc3sc(-c4ccccc4C)nc3C)c(=O)oc21 ZINC000096024506 569380537 /nfs/dbraw/zinc/38/05/37/569380537.db2.gz SAQJBTJTYQETDI-UHFFFAOYSA-N 0 0 434.517 4.862 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2ncccc2Br)CC1 ZINC000096097002 569381413 /nfs/dbraw/zinc/38/14/13/569381413.db2.gz VJUYUCPXDUQUGA-UHFFFAOYSA-N 0 0 444.251 4.938 50 0 IJAARN COc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114854 569383046 /nfs/dbraw/zinc/38/30/46/569383046.db2.gz WLXFQWMSMJCXPY-KRWDZBQOSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000096115200 569383194 /nfs/dbraw/zinc/38/31/94/569383194.db2.gz VFPIEWJNNGODTL-SFHVURJKSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Br)c2)S1 ZINC000096117262 569384148 /nfs/dbraw/zinc/38/41/48/569384148.db2.gz FOEGDMFUOOPDHB-GDBMZVCRSA-N 0 0 436.375 4.955 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117988 569384421 /nfs/dbraw/zinc/38/44/21/569384421.db2.gz DOXTWLHZNJHHNC-PXAZEXFGSA-N 0 0 435.933 4.575 50 0 IJAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000096118841 569384577 /nfs/dbraw/zinc/38/45/77/569384577.db2.gz LGHJYRHZFDWANT-UHFFFAOYSA-N 0 0 448.426 4.747 50 0 IJAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119744 569384805 /nfs/dbraw/zinc/38/48/05/569384805.db2.gz FIFPRDWJMFKBBD-LHSJRXKWSA-N 0 0 433.489 4.556 50 0 IJAARN COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 ZINC000096203766 569386435 /nfs/dbraw/zinc/38/64/35/569386435.db2.gz MKKYUIMCJCNQNB-OAQYLSRUSA-N 0 0 430.426 4.770 50 0 IJAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)NCc3ccccn3)c2)n1 ZINC000096211162 569386649 /nfs/dbraw/zinc/38/66/49/569386649.db2.gz XBNJQRMRTQRTFZ-UHFFFAOYSA-N 0 0 435.597 4.503 50 0 IJAARN CCCn1c(C(=O)NCCOC)cc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096276288 569388511 /nfs/dbraw/zinc/38/85/11/569388511.db2.gz JBEXKLXZIIFVRM-UHFFFAOYSA-N 0 0 435.568 4.977 50 0 IJAARN O=C(Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2cccc(F)c2)c1)c1ccco1 ZINC000096276720 569388635 /nfs/dbraw/zinc/38/86/35/569388635.db2.gz JCIGOUAUIMCKEN-UHFFFAOYSA-N 0 0 431.467 4.910 50 0 IJAARN COc1cc(OC)cc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccs3)n2)c1 ZINC000096278104 569388935 /nfs/dbraw/zinc/38/89/35/569388935.db2.gz LLQWHVYCEMWCTJ-UHFFFAOYSA-N 0 0 449.532 4.700 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCCC1 ZINC000096279426 569389467 /nfs/dbraw/zinc/38/94/67/569389467.db2.gz FHOPXWZDSDRRFM-JOCHJYFZSA-N 0 0 441.934 4.805 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCCC(C)C ZINC000096281176 569389833 /nfs/dbraw/zinc/38/98/33/569389833.db2.gz KVFPRNSHOWVRHT-CLJLJLNGSA-N 0 0 448.607 4.890 50 0 IJAARN CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1cccc(OC)c1 ZINC000096288630 569390466 /nfs/dbraw/zinc/39/04/66/569390466.db2.gz PAGNQWPRJTTWNT-UHFFFAOYSA-N 0 0 448.548 4.789 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)COCc3ccccc3)C3CCCCC3)n2)cc1 ZINC000096291925 569391221 /nfs/dbraw/zinc/39/12/21/569391221.db2.gz AXCBWPXYNREKRI-UHFFFAOYSA-N 0 0 449.551 4.666 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000096317003 569392984 /nfs/dbraw/zinc/39/29/84/569392984.db2.gz XHOKTYJEFHTCLF-KRWDZBQOSA-N 0 0 441.595 4.659 50 0 IJAARN Cc1cccc(Cc2c(C)nc(C(C)C)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000096317250 569393174 /nfs/dbraw/zinc/39/31/74/569393174.db2.gz VQZUNHQFABICMP-UHFFFAOYSA-N 0 0 446.570 4.909 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317369 569393395 /nfs/dbraw/zinc/39/33/95/569393395.db2.gz WOCUQDMDZLYSKE-INIZCTEOSA-N 0 0 446.998 4.986 50 0 IJAARN Cc1nc(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317358 569393407 /nfs/dbraw/zinc/39/34/07/569393407.db2.gz LUQBPNOIKMQASD-UHFFFAOYSA-N 0 0 432.971 4.596 50 0 IJAARN Cc1nc(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(Cl)cc1Cl ZINC000096317770 569393594 /nfs/dbraw/zinc/39/35/94/569393594.db2.gz WOIOWDASKSUVJW-UHFFFAOYSA-N 0 0 447.410 4.865 50 0 IJAARN CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)ccc2c1=O ZINC000096320178 569394102 /nfs/dbraw/zinc/39/41/02/569394102.db2.gz GUWDJJRQFOLGCR-UHFFFAOYSA-N 0 0 444.413 4.616 50 0 IJAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(C)c3)n2)c1 ZINC000096322951 569395024 /nfs/dbraw/zinc/39/50/24/569395024.db2.gz JPFOVVXPJYOODP-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000096323144 569395131 /nfs/dbraw/zinc/39/51/31/569395131.db2.gz KFYSWPVFQDWWAZ-IBGZPJMESA-N 0 0 430.552 4.554 50 0 IJAARN CCc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(OC)cc4)nn32)C1 ZINC000096323755 569395514 /nfs/dbraw/zinc/39/55/14/569395514.db2.gz OWAUIKMTVPJKMF-UHFFFAOYSA-N 0 0 433.537 4.619 50 0 IJAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCCCN2CCCc3ccccc32)o1 ZINC000096324156 569395738 /nfs/dbraw/zinc/39/57/38/569395738.db2.gz FLLVTUFCMVUUAU-UHFFFAOYSA-N 0 0 430.508 4.672 50 0 IJAARN COc1cccc(-n2cc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)c1 ZINC000096324271 569395829 /nfs/dbraw/zinc/39/58/29/569395829.db2.gz DJMJPPTYUQYJEL-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2OC)C12CCCC2 ZINC000096344600 569397007 /nfs/dbraw/zinc/39/70/07/569397007.db2.gz DPTHWLYKCJIVGL-DEOSSOPVSA-N 0 0 434.580 4.706 50 0 IJAARN COc1ccc(OC)c(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1 ZINC000096386586 569398620 /nfs/dbraw/zinc/39/86/20/569398620.db2.gz AFSYNIHLGOQRCD-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN CC(C)n1cc(C2=CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000096386512 569398640 /nfs/dbraw/zinc/39/86/40/569398640.db2.gz FIYLRPLTYXXPGE-UHFFFAOYSA-N 0 0 429.973 4.890 50 0 IJAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1ccccc1Cl ZINC000096386637 569398690 /nfs/dbraw/zinc/39/86/90/569398690.db2.gz ZTXGKDQPNYVVBX-UHFFFAOYSA-N 0 0 425.945 4.994 50 0 IJAARN CC(=O)c1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCSCC3)c2)c1 ZINC000096400195 569400400 /nfs/dbraw/zinc/40/04/00/569400400.db2.gz XIRMIEKSLSNUSZ-UHFFFAOYSA-N 0 0 433.537 4.543 50 0 IJAARN O=C(/C=C\c1ccc(Br)o1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000096401777 569400472 /nfs/dbraw/zinc/40/04/72/569400472.db2.gz ZHUXEGXZOCBYET-CLFYSBASSA-N 0 0 433.689 4.557 50 0 IJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)c2ccccc2)c1 ZINC000096481253 569400936 /nfs/dbraw/zinc/40/09/36/569400936.db2.gz KTULAXJIIUVFON-IBGZPJMESA-N 0 0 445.519 4.970 50 0 IJAARN COc1ccc2c(c1)C(N1CCCN(C(=O)c3ccccc3)CC1)=Nc1ccccc1O2 ZINC000096499476 569401032 /nfs/dbraw/zinc/40/10/32/569401032.db2.gz JWXXFDQBHKIFNZ-UHFFFAOYSA-N 0 0 427.504 4.727 50 0 IJAARN COC(=O)[C@]1(OC)CC2(c3ccccc3-c3ccccc32)N(c2ccc(Cl)cc2)N1C#N ZINC000096592483 569401913 /nfs/dbraw/zinc/40/19/13/569401913.db2.gz FUOFNMIMZKSYFS-RUZDIDTESA-N 0 0 445.906 4.688 50 0 IJAARN COc1ccc(N2N=C(OCc3ccccc3)Oc3c2ncn3NCc2ccccc2)cc1 ZINC000096592239 569401917 /nfs/dbraw/zinc/40/19/17/569401917.db2.gz VIHDNKCLKLRWIH-UHFFFAOYSA-N 0 0 441.491 4.654 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096593683 569402046 /nfs/dbraw/zinc/40/20/46/569402046.db2.gz HNVRRYAUCZJLHY-VWLOTQADSA-N 0 0 432.545 4.821 50 0 IJAARN C[C@H]1C(=O)Nc2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(Cl)cc3)ccc2N1C ZINC000097031967 569402959 /nfs/dbraw/zinc/40/29/59/569402959.db2.gz CWYQBCAAWVCLKE-ZBEGNZNMSA-N 0 0 425.838 4.540 50 0 IJAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000027988943 569405590 /nfs/dbraw/zinc/40/55/90/569405590.db2.gz AJGPZJCIUUNAPD-HXUWFJFHSA-N 0 0 431.463 4.907 50 0 IJAARN CCOc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1OCC ZINC000002502990 569406105 /nfs/dbraw/zinc/40/61/05/569406105.db2.gz RYRJJMZPXWWPIG-XMMPIXPASA-N 0 0 438.549 4.799 50 0 IJAARN Cc1nn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)c(C)c1Br ZINC000028247232 569409365 /nfs/dbraw/zinc/40/93/65/569409365.db2.gz YSGBRWYDLVSARD-UHFFFAOYSA-N 0 0 439.107 4.859 50 0 IJAARN Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000002623272 569411409 /nfs/dbraw/zinc/41/14/09/569411409.db2.gz JGMCVYBWPAYSIR-UHFFFAOYSA-N 0 0 432.524 4.619 50 0 IJAARN Cc1ccc2nc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc(=O)n2c1 ZINC000002623666 569411413 /nfs/dbraw/zinc/41/14/13/569411413.db2.gz IFVMUQXCSSCDHF-UHFFFAOYSA-N 0 0 445.573 4.664 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H]2CCCC[C@@H]2C)cc1 ZINC000002626013 569411792 /nfs/dbraw/zinc/41/17/92/569411792.db2.gz PNGBBZIFEPMSRD-KBXCAEBGSA-N 0 0 441.557 4.732 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1ncc(Cl)c(Cl)c1Cl ZINC000002630252 569412189 /nfs/dbraw/zinc/41/21/89/569412189.db2.gz XQKCFAVBHRHBKO-UHFFFAOYSA-N 0 0 427.456 4.899 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1C ZINC000002644656 569414036 /nfs/dbraw/zinc/41/40/36/569414036.db2.gz DSZMWBFECPVROI-UHFFFAOYSA-N 0 0 445.544 4.817 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002645351 569414150 /nfs/dbraw/zinc/41/41/50/569414150.db2.gz DHFDOTRPCLVLQC-UHFFFAOYSA-N 0 0 448.588 4.771 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC)c1 ZINC000002646115 569414271 /nfs/dbraw/zinc/41/42/71/569414271.db2.gz ISSRCCPFTFMIKY-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN CCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O ZINC000002648008 569414459 /nfs/dbraw/zinc/41/44/59/569414459.db2.gz JUJWEHYVTONBLR-SFHVURJKSA-N 0 0 433.858 4.578 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C)c2C)n1-c1ccccc1 ZINC000002651261 569414919 /nfs/dbraw/zinc/41/49/19/569414919.db2.gz DHKZSFYEPKLURB-UHFFFAOYSA-N 0 0 432.549 4.873 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccc(OC)cc1 ZINC000002690311 569416977 /nfs/dbraw/zinc/41/69/77/569416977.db2.gz XIBANUFUWLDUFZ-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1OC ZINC000002724605 569418452 /nfs/dbraw/zinc/41/84/52/569418452.db2.gz MYVFHNKNZUDMTA-JOCHJYFZSA-N 0 0 436.895 4.541 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724717 569418487 /nfs/dbraw/zinc/41/84/87/569418487.db2.gz NDCSBQDQAPFNFE-QHCPKHFHSA-N 0 0 442.849 4.567 50 0 IJAARN CCCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000002757617 569420409 /nfs/dbraw/zinc/42/04/09/569420409.db2.gz ZTPBHMKQJYTDFV-DZGCQCFKSA-N 0 0 445.283 4.836 50 0 IJAARN CC(C)(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002756338 569420430 /nfs/dbraw/zinc/42/04/30/569420430.db2.gz KNLMOLHONGBGMW-KGLIPLIRSA-N 0 0 445.283 4.834 50 0 IJAARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1nn(C)cc1Cl ZINC000002755739 569420434 /nfs/dbraw/zinc/42/04/34/569420434.db2.gz PLKFGPSWNCHPHK-UHFFFAOYSA-N 0 0 435.915 4.980 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@@H]4C)c3n2)cc1 ZINC000002770268 569420723 /nfs/dbraw/zinc/42/07/23/569420723.db2.gz BPXJYXRVHSRVNC-AWEZNQCLSA-N 0 0 434.446 4.934 50 0 IJAARN Cc1c(-c2cc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)c3ccccc3n2)cnn1C ZINC000002805291 569422675 /nfs/dbraw/zinc/42/26/75/569422675.db2.gz AQMPNMHWJZHQHM-UHFFFAOYSA-N 0 0 440.482 4.580 50 0 IJAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028956772 569423712 /nfs/dbraw/zinc/42/37/12/569423712.db2.gz NJLNJLSMDDJSKY-UHFFFAOYSA-N 0 0 431.433 4.659 50 0 IJAARN Cc1c(C(=O)Nc2cc(F)ccc2C)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911011 569424874 /nfs/dbraw/zinc/42/48/74/569424874.db2.gz KIKGUEIGJSVFKQ-UHFFFAOYSA-N 0 0 425.460 4.654 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000002915170 569425079 /nfs/dbraw/zinc/42/50/79/569425079.db2.gz IZONCLVGACSPIE-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc2c(c1)O[C@@H](c1ccc(F)cc1)C1=C2N=C2N=CNN2[C@@H]1c1ccc(F)cc1 ZINC000002917983 569425291 /nfs/dbraw/zinc/42/52/91/569425291.db2.gz MJFAIUOQTASUMN-RPWUZVMVSA-N 0 0 444.441 4.778 50 0 IJAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)ccc1Cl ZINC000002925055 569425518 /nfs/dbraw/zinc/42/55/18/569425518.db2.gz VOKVGMZIEUDINY-UHFFFAOYSA-N 0 0 448.013 4.950 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1 ZINC000002925241 569425628 /nfs/dbraw/zinc/42/56/28/569425628.db2.gz OWUNHBPULWYYFU-UHFFFAOYSA-N 0 0 449.601 4.781 50 0 IJAARN CCOc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3c2=O)cc1 ZINC000002942815 569426825 /nfs/dbraw/zinc/42/68/25/569426825.db2.gz TYSOOTJCPAMQJY-UHFFFAOYSA-N 0 0 449.894 4.699 50 0 IJAARN Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)CSCc2ccccc2)C3)cc1 ZINC000056911535 569427714 /nfs/dbraw/zinc/42/77/14/569427714.db2.gz NTDBFRCSCANDFN-UHFFFAOYSA-N 0 0 428.561 4.747 50 0 IJAARN COc1cc(CNC(=O)c2ccccc2Oc2cccnc2)ccc1OCc1ccncc1 ZINC000057265115 569430340 /nfs/dbraw/zinc/43/03/40/569430340.db2.gz OHLJHEXVHCXNGK-UHFFFAOYSA-N 0 0 441.487 4.787 50 0 IJAARN COc1ccc(-c2nnc(COC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000029590185 569431414 /nfs/dbraw/zinc/43/14/14/569431414.db2.gz SNDLNXIGKQJLQJ-UHFFFAOYSA-N 0 0 444.447 4.746 50 0 IJAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccccc1Cl ZINC000002962227 569432801 /nfs/dbraw/zinc/43/28/01/569432801.db2.gz MNRCWYBDHUVYTB-UHFFFAOYSA-N 0 0 444.965 4.968 50 0 IJAARN Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 ZINC000002963891 569432937 /nfs/dbraw/zinc/43/29/37/569432937.db2.gz XCDDESXMGPMCON-ZKKFKWFVSA-N 0 0 444.328 4.898 50 0 IJAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3ccc(C)cc3)N2C1=O ZINC000002967068 569433073 /nfs/dbraw/zinc/43/30/73/569433073.db2.gz HIBAEDICZGVNJE-OAQYLSRUSA-N 0 0 448.592 4.583 50 0 IJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccccc3F)n2n1 ZINC000002969625 569433274 /nfs/dbraw/zinc/43/32/74/569433274.db2.gz ZAPZKWXHDDPSRX-UHFFFAOYSA-N 0 0 432.528 4.834 50 0 IJAARN O=C(CCn1c(=O)c2ccccc2nc1SCc1ccccc1Cl)N1CCCCC1 ZINC000002971911 569433495 /nfs/dbraw/zinc/43/34/95/569433495.db2.gz GNXDGNJZOOTNDX-UHFFFAOYSA-N 0 0 441.984 4.745 50 0 IJAARN Cc1ccc(N2CCN(Cc3nc(-c4ccc(OCc5ccccc5)cc4)no3)CC2)cc1 ZINC000057427871 569434820 /nfs/dbraw/zinc/43/48/20/569434820.db2.gz APLPLCJMFXDLID-UHFFFAOYSA-N 0 0 440.547 4.946 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000057428469 569434869 /nfs/dbraw/zinc/43/48/69/569434869.db2.gz RHFDSEQIHNKJLD-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@H]2C)cc1C ZINC000057428488 569434918 /nfs/dbraw/zinc/43/49/18/569434918.db2.gz VGWSLRGXCNFAAU-MRXNPFEDSA-N 0 0 427.595 4.557 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 ZINC000057428637 569434919 /nfs/dbraw/zinc/43/49/19/569434919.db2.gz WCQBHMRXOBDTGN-UHFFFAOYSA-N 0 0 433.574 4.635 50 0 IJAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2F)CC1 ZINC000003021742 569436007 /nfs/dbraw/zinc/43/60/07/569436007.db2.gz PAEXRONNGPDLPW-UHFFFAOYSA-N 0 0 444.450 4.517 50 0 IJAARN C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000230099556 569436282 /nfs/dbraw/zinc/43/62/82/569436282.db2.gz JGGBCVUNYOKBQR-XOBRGWDASA-N 0 0 445.441 4.732 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)nc(C)n3-c2cccc(C)c2)cc1OC ZINC000003025670 569436301 /nfs/dbraw/zinc/43/63/01/569436301.db2.gz RSGWQECVGXHOBZ-UHFFFAOYSA-N 0 0 429.520 4.632 50 0 biogenic IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(Cl)cc1 ZINC000057486777 569436552 /nfs/dbraw/zinc/43/65/52/569436552.db2.gz OPUWLJBGGSCHRT-UHFFFAOYSA-N 0 0 427.291 4.828 50 0 IJAARN CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000057486985 569436614 /nfs/dbraw/zinc/43/66/14/569436614.db2.gz VLNOBQLWOAAPLK-INIZCTEOSA-N 0 0 448.445 4.895 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCCc1ccc(Cl)cc1 ZINC000057487336 569436695 /nfs/dbraw/zinc/43/66/95/569436695.db2.gz MSYPGRZHBAIYBM-UHFFFAOYSA-N 0 0 441.318 4.871 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1ccc(F)c(F)c1 ZINC000057487576 569436776 /nfs/dbraw/zinc/43/67/76/569436776.db2.gz TYLHZLAXQHMHSG-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1F)c1ccccc1 ZINC000057487504 569436809 /nfs/dbraw/zinc/43/68/09/569436809.db2.gz CWQSAFFUVJMRHC-UHFFFAOYSA-N 0 0 439.537 4.732 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1 ZINC000057488102 569436869 /nfs/dbraw/zinc/43/68/69/569436869.db2.gz WAJJMEFCCOOBQU-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)c1 ZINC000057488269 569436931 /nfs/dbraw/zinc/43/69/31/569436931.db2.gz APKKEFZJYIPTGC-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F ZINC000003031287 569437611 /nfs/dbraw/zinc/43/76/11/569437611.db2.gz UTGFBYBFFXBXQP-UHFFFAOYSA-N 0 0 444.503 4.566 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc2F)c(C)c1 ZINC000003032107 569437785 /nfs/dbraw/zinc/43/77/85/569437785.db2.gz VCTUMCFYXHOQRS-BTYIYWSLSA-N 0 0 432.561 4.860 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2cccc(Cl)c2)c3C)cc1 ZINC000003045295 569438663 /nfs/dbraw/zinc/43/86/63/569438663.db2.gz YAYTVFZCLVQETI-UHFFFAOYSA-N 0 0 434.927 4.529 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@H](C)C2=O)cc1Cl ZINC000003049829 569438973 /nfs/dbraw/zinc/43/89/73/569438973.db2.gz WTIIXVAJGVXQOG-QGZVFWFLSA-N 0 0 431.923 4.860 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@H]2CCCC[C@@H]2C)c2ccccc23)cc1 ZINC000057524188 569439059 /nfs/dbraw/zinc/43/90/59/569439059.db2.gz GLEPKJJHIVBWDY-JXFKEZNVSA-N 0 0 449.580 4.663 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000057569374 569439884 /nfs/dbraw/zinc/43/98/84/569439884.db2.gz ADDSERONHSPSLH-VWLOTQADSA-N 0 0 433.527 4.645 50 0 IJAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1c(OC)ccc2ccccc21 ZINC000003102020 569440194 /nfs/dbraw/zinc/44/01/94/569440194.db2.gz POVJSFFVOHYLEQ-XMMPIXPASA-N 0 0 430.504 4.952 50 0 IJAARN CC(C)CCOc1cccc(OCC(=O)Nc2ccc(I)cc2)c1 ZINC000003197920 569441557 /nfs/dbraw/zinc/44/15/57/569441557.db2.gz RGIGNVMIGZBPAN-UHFFFAOYSA-N 0 0 439.293 4.734 50 0 IJAARN CCn1c2ccc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)cc2nc(C)c1=O ZINC000030300824 569441543 /nfs/dbraw/zinc/44/15/43/569441543.db2.gz YZAZZJWSHXMERT-UHFFFAOYSA-N 0 0 429.442 4.548 50 0 IJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1F ZINC000003219499 569441909 /nfs/dbraw/zinc/44/19/09/569441909.db2.gz MLOZSKWYCBNYGA-UHFFFAOYSA-N 0 0 442.284 4.902 50 0 IJAARN Cc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000003223801 569442097 /nfs/dbraw/zinc/44/20/97/569442097.db2.gz SACVQAORJJJJQM-UHFFFAOYSA-N 0 0 432.907 4.900 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000003229917 569442247 /nfs/dbraw/zinc/44/22/47/569442247.db2.gz CBNWOYFVXJFQEI-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003229748 569442254 /nfs/dbraw/zinc/44/22/54/569442254.db2.gz MMBBUAGYHANIOP-UHFFFAOYSA-N 0 0 443.286 4.602 50 0 IJAARN Cn1c(=O)c2c(n(C)c1=O)NC(c1cccs1)=C[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000003235305 569442430 /nfs/dbraw/zinc/44/24/30/569442430.db2.gz UERNJPNVXZHLJG-IBGZPJMESA-N 0 0 443.528 4.536 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003251240 569442920 /nfs/dbraw/zinc/44/29/20/569442920.db2.gz GCRKKEFGHSOXPG-UHFFFAOYSA-N 0 0 436.851 4.952 50 0 IJAARN COc1cccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)c1 ZINC000003260356 569443240 /nfs/dbraw/zinc/44/32/40/569443240.db2.gz HVVOUTYXXGZNKC-UHFFFAOYSA-N 0 0 436.274 4.676 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1OC(F)F ZINC000003263451 569443314 /nfs/dbraw/zinc/44/33/14/569443314.db2.gz SHRMCJVFOVFQGI-UHFFFAOYSA-N 0 0 425.387 4.708 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)N3CCCCCC3)cc12 ZINC000003265194 569443384 /nfs/dbraw/zinc/44/33/84/569443384.db2.gz NPAZXTLLBFYLPW-UHFFFAOYSA-N 0 0 431.945 4.608 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003267502 569443485 /nfs/dbraw/zinc/44/34/85/569443485.db2.gz PBOUBWLPIMYSMR-INIZCTEOSA-N 0 0 428.444 4.881 50 0 IJAARN O=c1c2ccccc2c(-c2nnc(SCc3ccc(F)cc3)o2)nn1Cc1ccccc1 ZINC000003297333 569444805 /nfs/dbraw/zinc/44/48/05/569444805.db2.gz WDQSNSDJBDDIJT-UHFFFAOYSA-N 0 0 444.491 4.926 50 0 IJAARN O=C(OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1Nc1ccccc1 ZINC000003299499 569444898 /nfs/dbraw/zinc/44/48/98/569444898.db2.gz ODKNBNSSLYRXLQ-UHFFFAOYSA-N 0 0 431.517 4.964 50 0 IJAARN COc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1I ZINC000058014374 569444959 /nfs/dbraw/zinc/44/49/59/569444959.db2.gz RKQBEIKOYVAMAP-UHFFFAOYSA-N 0 0 449.210 4.890 50 0 IJAARN CN(C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccccc1 ZINC000003318184 569445827 /nfs/dbraw/zinc/44/58/27/569445827.db2.gz JPFBPXBQZIDTTC-UHFFFAOYSA-N 0 0 448.617 4.928 50 0 IJAARN CC(=O)c1cn([C@@H](C)C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)c2ccccc12 ZINC000670437693 569445899 /nfs/dbraw/zinc/44/58/99/569445899.db2.gz LIIRSKJUJCBJKS-KRWDZBQOSA-N 0 0 432.499 4.663 50 0 IJAARN C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003328269 569446343 /nfs/dbraw/zinc/44/63/43/569446343.db2.gz HNIDOZIRNJMWLC-SNVBAGLBSA-N 0 0 431.703 4.770 50 0 IJAARN Cc1ccc(CNC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003329716 569446389 /nfs/dbraw/zinc/44/63/89/569446389.db2.gz PQQGKAUGPOZKJR-UHFFFAOYSA-N 0 0 436.577 4.514 50 0 IJAARN Cc1ccc(-n2c(SCN3C(=O)c4ccccc4C3=O)nnc2-c2ccccc2)cc1 ZINC000003336250 569446638 /nfs/dbraw/zinc/44/66/38/569446638.db2.gz DBLXLPXONHIJIW-UHFFFAOYSA-N 0 0 426.501 4.589 50 0 IJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000003336659 569446639 /nfs/dbraw/zinc/44/66/39/569446639.db2.gz MQZNYOFJODOMMP-UHFFFAOYSA-N 0 0 446.406 4.671 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n2C(C)C)cc1 ZINC000003338190 569446695 /nfs/dbraw/zinc/44/66/95/569446695.db2.gz DZPOPRFMQLSIKF-UHFFFAOYSA-N 0 0 448.495 4.867 50 0 IJAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nnnn1-c1ccccc1 ZINC000003342160 569446954 /nfs/dbraw/zinc/44/69/54/569446954.db2.gz YPPJJBCZDAXSRW-UHFFFAOYSA-N 0 0 429.977 4.952 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)c(C)n1Cc1ccccc1Cl ZINC000003357399 569447702 /nfs/dbraw/zinc/44/77/02/569447702.db2.gz KGUFZURYMAKOCD-UHFFFAOYSA-N 0 0 448.906 4.688 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 ZINC000003358853 569447747 /nfs/dbraw/zinc/44/77/47/569447747.db2.gz MVFOCZPXEIMPRN-UHFFFAOYSA-N 0 0 443.499 4.662 50 0 IJAARN COc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2ccccc2c1=O ZINC000003362735 569447996 /nfs/dbraw/zinc/44/79/96/569447996.db2.gz RVEKAQOWPPKNHV-KRWDZBQOSA-N 0 0 445.544 4.538 50 0 IJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003368877 569448281 /nfs/dbraw/zinc/44/82/81/569448281.db2.gz QAHBZFQRONJIOW-UHFFFAOYSA-N 0 0 438.789 4.711 50 0 IJAARN CCNC(=O)CSc1nnc(Cc2cccc3ccccc32)n1-c1ccc(C)cc1C ZINC000003370114 569448296 /nfs/dbraw/zinc/44/82/96/569448296.db2.gz DIMMHNHIXIIPKT-UHFFFAOYSA-N 0 0 430.577 4.856 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(C)ccc3C)o2)c1 ZINC000003427691 569450619 /nfs/dbraw/zinc/45/06/19/569450619.db2.gz WPSJHUHIDKXXGF-UHFFFAOYSA-N 0 0 431.583 4.676 50 0 IJAARN Cc1cc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)n(-c2ccccc2)n1 ZINC000003436679 569451046 /nfs/dbraw/zinc/45/10/46/569451046.db2.gz PFRMZIBASIFHJE-UHFFFAOYSA-N 0 0 435.578 4.795 50 0 IJAARN Cc1ccc2nc(CSc3nc4ccccc4c(=O)n3C3CCCCC3)cc(=O)n2c1 ZINC000003438258 569451096 /nfs/dbraw/zinc/45/10/96/569451096.db2.gz JRWIEVYZQCZDGP-UHFFFAOYSA-N 0 0 432.549 4.510 50 0 IJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C ZINC000003476370 569452183 /nfs/dbraw/zinc/45/21/83/569452183.db2.gz GGYGTJLFUPGREB-UHFFFAOYSA-N 0 0 430.254 4.502 50 0 IJAARN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(=O)C(C)(C)C)cc1 ZINC000003511947 569453043 /nfs/dbraw/zinc/45/30/43/569453043.db2.gz YVIYGZLTYSHACQ-WQRHYEAKSA-N 0 0 436.533 4.816 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2-c2ccc(Br)cc2)cc1 ZINC000003511808 569453063 /nfs/dbraw/zinc/45/30/63/569453063.db2.gz JRRLROKGOHFUIR-UHFFFAOYSA-N 0 0 445.386 4.572 50 0 IJAARN O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N(Cc1ccccc1)C1CC1 ZINC000031085168 569453341 /nfs/dbraw/zinc/45/33/41/569453341.db2.gz ZYAQZRZFWXVRKT-UHFFFAOYSA-N 0 0 442.487 4.570 50 0 IJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003534196 569453482 /nfs/dbraw/zinc/45/34/82/569453482.db2.gz KZZBOCNVSRZSFY-HTAPYJJXSA-N 0 0 432.593 4.878 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N2CCc3ccccc32)nc2ccccc2c1=O ZINC000003544751 569453648 /nfs/dbraw/zinc/45/36/48/569453648.db2.gz YVKZXGPUECKLQE-GOSISDBHSA-N 0 0 441.556 4.764 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003549521 569453730 /nfs/dbraw/zinc/45/37/30/569453730.db2.gz PHRKMHCHBVMJPZ-UHFFFAOYSA-N 0 0 434.867 4.642 50 0 IJAARN O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc(Cl)ccc2F)C2CC2)cc1 ZINC000031247524 569455122 /nfs/dbraw/zinc/45/51/22/569455122.db2.gz GZJVREFPNOKLAA-UHFFFAOYSA-N 0 0 428.813 4.576 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2F)c3=O)cc1 ZINC000003631380 569455336 /nfs/dbraw/zinc/45/53/36/569455336.db2.gz BMRIOCYCAKYZSW-UHFFFAOYSA-N 0 0 435.480 4.838 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657907 569455786 /nfs/dbraw/zinc/45/57/86/569455786.db2.gz OMEDUCFUPPRBBT-DNQXCXABSA-N 0 0 430.504 4.643 50 0 IJAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 ZINC000058574995 569456390 /nfs/dbraw/zinc/45/63/90/569456390.db2.gz VYUONOVKMFZVQU-UHFFFAOYSA-N 0 0 427.888 4.703 50 0 IJAARN O=S(=O)(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000031722904 569457086 /nfs/dbraw/zinc/45/70/86/569457086.db2.gz RLKJFMOYSJTXON-UHFFFAOYSA-N 0 0 434.366 4.511 50 0 IJAARN Cc1cc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC2)nc2ccccc12 ZINC000031809469 569457684 /nfs/dbraw/zinc/45/76/84/569457684.db2.gz XYFAUCPBIRTXPA-QHCPKHFHSA-N 0 0 434.927 4.626 50 0 IJAARN Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000031817053 569458019 /nfs/dbraw/zinc/45/80/19/569458019.db2.gz KJUIEXMCECVYPE-UHFFFAOYSA-N 0 0 432.914 4.901 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000004087959 569458794 /nfs/dbraw/zinc/45/87/94/569458794.db2.gz ICPSZOLVDDXMTH-UHFFFAOYSA-N 0 0 437.908 4.910 50 0 IJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000004089836 569458835 /nfs/dbraw/zinc/45/88/35/569458835.db2.gz TVFUOKDKBSRNPH-UHFFFAOYSA-N 0 0 437.521 4.838 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OCC ZINC000032091261 569459619 /nfs/dbraw/zinc/45/96/19/569459619.db2.gz YOVBDFAOFXRWER-AWEZNQCLSA-N 0 0 427.892 4.545 50 0 IJAARN COc1cc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc(OC)c1 ZINC000032093264 569459698 /nfs/dbraw/zinc/45/96/98/569459698.db2.gz FHWASPCUPHZCBN-GOSISDBHSA-N 0 0 440.887 4.701 50 0 IJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000032101362 569460051 /nfs/dbraw/zinc/46/00/51/569460051.db2.gz QRQSHBHWJREQMO-QGZVFWFLSA-N 0 0 445.306 4.696 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3cnccc3o2)cc1 ZINC000032101244 569460065 /nfs/dbraw/zinc/46/00/65/569460065.db2.gz AHUJCNYUIDQWCR-UHFFFAOYSA-N 0 0 428.275 4.892 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)C1=O ZINC000004123130 569460079 /nfs/dbraw/zinc/46/00/79/569460079.db2.gz FGXHBZUULJWVPA-MUUNZHRXSA-N 0 0 436.511 4.793 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000038518389 569463116 /nfs/dbraw/zinc/46/31/16/569463116.db2.gz AGIZCYJQBIDTKI-UHFFFAOYSA-N 0 0 438.871 4.966 50 0 IJAARN CCc1cc([C@H](c2ccc(OC)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546033 569463397 /nfs/dbraw/zinc/46/33/97/569463397.db2.gz BOASAQRDQITAIJ-NRFANRHFSA-N 0 0 426.538 4.586 50 0 IJAARN CN1CCN([C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546523 569463543 /nfs/dbraw/zinc/46/35/43/569463543.db2.gz DSRUDKFEAQSZAE-NRFANRHFSA-N 0 0 441.622 4.871 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N[C@@H]1CCc2ccccc21 ZINC000067209374 569464821 /nfs/dbraw/zinc/46/48/21/569464821.db2.gz NORISMJCZPYMJY-GOSISDBHSA-N 0 0 447.585 4.651 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C(C)C)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236569 569465452 /nfs/dbraw/zinc/46/54/52/569465452.db2.gz WRJOCYXEHBQETA-UHFFFAOYSA-N 0 0 436.537 4.529 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000038654108 569465771 /nfs/dbraw/zinc/46/57/71/569465771.db2.gz PTQXHBIJPQXZRX-UHFFFAOYSA-N 0 0 442.972 4.786 50 0 IJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2OC)c1 ZINC000067258893 569466216 /nfs/dbraw/zinc/46/62/16/569466216.db2.gz ZHYRSUQRGRYCSO-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN Cc1ccc(C)c(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)c1 ZINC000067260096 569466278 /nfs/dbraw/zinc/46/62/78/569466278.db2.gz PDQVLQHJIAUMQS-UHFFFAOYSA-N 0 0 431.970 4.845 50 0 IJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cc(F)cc(F)c3)c(=O)c12 ZINC000067260394 569466353 /nfs/dbraw/zinc/46/63/53/569466353.db2.gz XJSRVZOSRRYARU-UHFFFAOYSA-N 0 0 442.472 4.871 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1 ZINC000067260993 569466460 /nfs/dbraw/zinc/46/64/60/569466460.db2.gz RCWHYLZYOKZJQH-UHFFFAOYSA-N 0 0 448.954 4.646 50 0 IJAARN CCc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1 ZINC000067260959 569466489 /nfs/dbraw/zinc/46/64/89/569466489.db2.gz OSIPDZGOAFISQJ-UHFFFAOYSA-N 0 0 442.563 4.555 50 0 IJAARN COc1ccc([C@@H](C)Nc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288446 569467380 /nfs/dbraw/zinc/46/73/80/569467380.db2.gz LBRBKJDCHRQFNM-OAHLLOKOSA-N 0 0 425.916 4.542 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1)N1CCOCC1 ZINC000067288386 569467422 /nfs/dbraw/zinc/46/74/22/569467422.db2.gz SCRNKVXTBSDBAG-UHFFFAOYSA-N 0 0 434.298 4.765 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)NCCCc4ccccc4)nccn3n2)cc1C ZINC000067289910 569467521 /nfs/dbraw/zinc/46/75/21/569467521.db2.gz WZGGUDFDZYNLEL-UHFFFAOYSA-N 0 0 430.577 4.854 50 0 IJAARN CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067292839 569467768 /nfs/dbraw/zinc/46/77/68/569467768.db2.gz WUYYDUIYELLZMF-PIHGLKBESA-N 0 0 426.900 4.626 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)Nc1ccccn1 ZINC000067293644 569467800 /nfs/dbraw/zinc/46/78/00/569467800.db2.gz ULXTZDDUSFEBAZ-RWEWTDSWSA-N 0 0 435.867 4.983 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccccc3C(F)(F)F)oc21 ZINC000067293994 569467861 /nfs/dbraw/zinc/46/78/61/569467861.db2.gz NIPFXPOBNTYJSI-AOXKDYLOSA-N 0 0 446.425 4.601 50 0 IJAARN COc1ccc(OC)c(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067295639 569467983 /nfs/dbraw/zinc/46/79/83/569467983.db2.gz BOJLVKSTTQHJCX-RFBIWTDZSA-N 0 0 445.475 4.647 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2c(cccc2OC)cc1C(=O)NCc1ccco1 ZINC000067299122 569468169 /nfs/dbraw/zinc/46/81/69/569468169.db2.gz DEXFORRGBDPIPX-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN CSc1nc2cc(C)n(CC(=O)Nc3cccc(C(C)C)c3)c2c(=O)n1CC(C)C ZINC000067320087 569468637 /nfs/dbraw/zinc/46/86/37/569468637.db2.gz DQFSRNBQVZZLEP-UHFFFAOYSA-N 0 0 426.586 4.646 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 ZINC000067339502 569469002 /nfs/dbraw/zinc/46/90/02/569469002.db2.gz ZXUKAKGHLOOFFG-AATRIKPKSA-N 0 0 445.855 4.551 50 0 IJAARN CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1ccco1 ZINC000008619911 569469364 /nfs/dbraw/zinc/46/93/64/569469364.db2.gz BRMMRALYXUAAQK-UHFFFAOYSA-N 0 0 428.539 4.991 50 0 IJAARN CC(C)n1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)nc2ccccc2c1=O ZINC000008705187 569470349 /nfs/dbraw/zinc/47/03/49/569470349.db2.gz JDBMPWZSZYKFBB-KRWDZBQOSA-N 0 0 435.593 4.826 50 0 IJAARN Cc1nc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)c(C(N)=O)c(C)c1C ZINC000008705330 569470446 /nfs/dbraw/zinc/47/04/46/569470446.db2.gz WCDHQZCIMSPDIF-UHFFFAOYSA-N 0 0 447.604 4.536 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)c1 ZINC000008710289 569470848 /nfs/dbraw/zinc/47/08/48/569470848.db2.gz LNGLZFCNKZCNJI-LJQANCHMSA-N 0 0 427.504 4.622 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)c1 ZINC000008710290 569470907 /nfs/dbraw/zinc/47/09/07/569470907.db2.gz LNGLZFCNKZCNJI-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN O=C(NC(c1ccccc1)c1ccccc1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000008716838 569471071 /nfs/dbraw/zinc/47/10/71/569471071.db2.gz PAXMDXNWLXOUPC-NCELDCMTSA-N 0 0 433.511 4.758 50 0 IJAARN Cc1ccc(-n2ccnc2SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1C ZINC000008719985 569471484 /nfs/dbraw/zinc/47/14/84/569471484.db2.gz MQWILTKVFYPMOC-IBGZPJMESA-N 0 0 431.565 4.644 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000008720247 569471556 /nfs/dbraw/zinc/47/15/56/569471556.db2.gz TUAOORRAGCMHQH-UHFFFAOYSA-N 0 0 434.439 4.687 50 0 IJAARN CCc1ccc([C@H](C)NC(=O)COc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000008734645 569472581 /nfs/dbraw/zinc/47/25/81/569472581.db2.gz UDKNRQKQRNAAMZ-SFHVURJKSA-N 0 0 432.520 4.766 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000008748157 569473162 /nfs/dbraw/zinc/47/31/62/569473162.db2.gz KKDJIEKALKAMKT-HNNXBMFYSA-N 0 0 448.327 4.826 50 0 IJAARN CN(CC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000008749769 569473280 /nfs/dbraw/zinc/47/32/80/569473280.db2.gz NFEYMBSNESRVQH-UHFFFAOYSA-N 0 0 441.453 4.881 50 0 IJAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 ZINC000008754670 569473843 /nfs/dbraw/zinc/47/38/43/569473843.db2.gz VKVISSSFUDHURG-LJQANCHMSA-N 0 0 432.568 4.592 50 0 IJAARN COc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790019 569475996 /nfs/dbraw/zinc/47/59/96/569475996.db2.gz WSSOCNIZDFFRJM-CLOONOSVSA-N 0 0 440.499 4.884 50 0 biogenic IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846243 569479063 /nfs/dbraw/zinc/47/90/63/569479063.db2.gz PUYDXYANKAOJHB-QHCPKHFHSA-N 0 0 426.472 4.641 50 0 IJAARN O=C(CSc1nc(CC(=O)Nc2ccc(Cl)cc2)cs1)Nc1ccc(F)cc1 ZINC000008851979 569479447 /nfs/dbraw/zinc/47/94/47/569479447.db2.gz BVPKNBIPIVHLDC-UHFFFAOYSA-N 0 0 435.933 4.848 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008852865 569479501 /nfs/dbraw/zinc/47/95/01/569479501.db2.gz FZSKXRGAKWMVOS-UHFFFAOYSA-N 0 0 425.579 4.926 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008855907 569479734 /nfs/dbraw/zinc/47/97/34/569479734.db2.gz FXXSVDMFUISGPQ-AWEZNQCLSA-N 0 0 446.956 4.711 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000008861179 569479963 /nfs/dbraw/zinc/47/99/63/569479963.db2.gz IVQXDBYSQPJYTG-UHFFFAOYSA-N 0 0 431.521 4.695 50 0 IJAARN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c1 ZINC000008868061 569480295 /nfs/dbraw/zinc/48/02/95/569480295.db2.gz RVOGIHDWXHIJKV-UHFFFAOYSA-N 0 0 438.593 4.824 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008869375 569480432 /nfs/dbraw/zinc/48/04/32/569480432.db2.gz OWYDQCGXIHFGJT-JNCYCUAHSA-N 0 0 439.964 4.722 50 0 IJAARN CCN1c2ccc(S(=O)(=O)Nc3ccc4oc(C)c(C(C)=O)c4c3)c3cccc(c23)C1=O ZINC000008870416 569480655 /nfs/dbraw/zinc/48/06/55/569480655.db2.gz CINMGTKMEJTSEK-UHFFFAOYSA-N 0 0 448.500 4.878 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 ZINC000008871428 569480816 /nfs/dbraw/zinc/48/08/16/569480816.db2.gz IGDGXAXFUAREKN-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc1c2C ZINC000008878228 569481259 /nfs/dbraw/zinc/48/12/59/569481259.db2.gz UVYBWRADQVJLAG-UHFFFAOYSA-N 0 0 446.478 4.986 50 0 biogenic IJAARN O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000039535902 569481721 /nfs/dbraw/zinc/48/17/21/569481721.db2.gz MDRNRFYRBCAFLW-SANMLTNESA-N 0 0 435.483 4.557 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC000039843998 569481863 /nfs/dbraw/zinc/48/18/63/569481863.db2.gz KTXZKTCXQLQXIK-IYBDPMFKSA-N 0 0 446.956 4.750 50 0 IJAARN C[C@@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000039743660 569481886 /nfs/dbraw/zinc/48/18/86/569481886.db2.gz JLAODRRQHGDDDC-QGZVFWFLSA-N 0 0 444.487 4.504 50 0 IJAARN COc1ccc2c(c1)C=C1[C@H](O)n3nc(-c4ccc(Cl)cc4Cl)nc3S[C@@H]1N2 ZINC000039930149 569482007 /nfs/dbraw/zinc/48/20/07/569482007.db2.gz XPJWSGFWWJFPAQ-ROUUACIJSA-N 0 0 433.320 4.692 50 0 IJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000039984304 569482316 /nfs/dbraw/zinc/48/23/16/569482316.db2.gz QQVSLJRXUIGXKD-UHFFFAOYSA-N 0 0 429.973 4.890 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000040018308 569482707 /nfs/dbraw/zinc/48/27/07/569482707.db2.gz UPPJAEXWSLHVNA-LJQANCHMSA-N 0 0 440.565 4.608 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@@H]1CCSc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000008881064 569482852 /nfs/dbraw/zinc/48/28/52/569482852.db2.gz COSRVEYEUMZMAU-FGZHOGPDSA-N 0 0 447.560 4.932 50 0 IJAARN COc1cc(CCC2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)cc(OC)c1 ZINC000040039007 569483327 /nfs/dbraw/zinc/48/33/27/569483327.db2.gz PWFDAYBJTIOIFR-UHFFFAOYSA-N 0 0 431.916 4.571 50 0 IJAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1cc(Cl)ccc1Cl ZINC000008897434 569483930 /nfs/dbraw/zinc/48/39/30/569483930.db2.gz UIGPPQZZQLGLAV-UHFFFAOYSA-N 0 0 440.377 4.901 50 0 IJAARN O=C(CSc1ncnc2sccc21)Nc1nc2ccc(Br)cc2s1 ZINC000008898462 569483965 /nfs/dbraw/zinc/48/39/65/569483965.db2.gz PECKPJUYIKOXOW-UHFFFAOYSA-N 0 0 437.369 4.794 50 0 IJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000040050032 569484148 /nfs/dbraw/zinc/48/41/48/569484148.db2.gz YYNBIHAVTHZHQF-UHFFFAOYSA-N 0 0 443.937 4.911 50 0 IJAARN Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008901637 569484351 /nfs/dbraw/zinc/48/43/51/569484351.db2.gz QIOINEQUQOYZLL-SFHVURJKSA-N 0 0 429.549 4.607 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000008902004 569484379 /nfs/dbraw/zinc/48/43/79/569484379.db2.gz UTLMJOAUMHTXPE-JOCHJYFZSA-N 0 0 434.609 4.803 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)cc1 ZINC000008911668 569484894 /nfs/dbraw/zinc/48/48/94/569484894.db2.gz SCBZPOJJUUKZED-UHFFFAOYSA-N 0 0 432.549 4.621 50 0 IJAARN COc1cccc([C@@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)c1 ZINC000040071228 569485736 /nfs/dbraw/zinc/48/57/36/569485736.db2.gz RRAYDFHLEBPKRC-LEWJYISDSA-N 0 0 426.948 4.868 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)C[S@@](=O)C3)c(C)c1 ZINC000008918971 569486422 /nfs/dbraw/zinc/48/64/22/569486422.db2.gz AALJLTBZDRRPQP-NDEPHWFRSA-N 0 0 434.348 4.811 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000008923005 569486995 /nfs/dbraw/zinc/48/69/95/569486995.db2.gz DUVBTSXVCLWYQJ-IFMALSPDSA-N 0 0 447.608 4.662 50 0 IJAARN CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000040104025 569488073 /nfs/dbraw/zinc/48/80/73/569488073.db2.gz VNTDWVFTERBMRM-UHFFFAOYSA-N 0 0 425.554 4.581 50 0 IJAARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc(OCc2cccs2)cc1 ZINC000040120439 569489508 /nfs/dbraw/zinc/48/95/08/569489508.db2.gz VIBHIAJEKOODBQ-UHFFFAOYSA-N 0 0 428.485 4.697 50 0 IJAARN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000040123009 569489729 /nfs/dbraw/zinc/48/97/29/569489729.db2.gz QYCAEOCBSQBSEZ-CQSZACIVSA-N 0 0 439.375 4.569 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)C[C@@H](c1ccccc1)OC3=O)CCC2 ZINC000008951746 569489950 /nfs/dbraw/zinc/48/99/50/569489950.db2.gz HSVXVBHRMDAERO-IBGZPJMESA-N 0 0 447.512 4.730 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1OC ZINC000008959982 569490387 /nfs/dbraw/zinc/49/03/87/569490387.db2.gz AWFDIJCIWPXUPK-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN CN(C)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c32)c1 ZINC000040132565 569490398 /nfs/dbraw/zinc/49/03/98/569490398.db2.gz OWANLPOURSAFFI-UHFFFAOYSA-N 0 0 426.476 4.721 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(OCCn2cccn2)c1 ZINC000040134876 569490570 /nfs/dbraw/zinc/49/05/70/569490570.db2.gz VOTDGUMQQCEEMX-UHFFFAOYSA-N 0 0 436.899 4.842 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cc(Cl)ccc1F ZINC000040141097 569491654 /nfs/dbraw/zinc/49/16/54/569491654.db2.gz JRSGDLLZPABWDF-UHFFFAOYSA-N 0 0 426.801 4.877 50 0 IJAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)s2)o1 ZINC000040145816 569492189 /nfs/dbraw/zinc/49/21/89/569492189.db2.gz RJEYCXOEXMKDSF-UHFFFAOYSA-N 0 0 437.352 4.684 50 0 IJAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1CCc1ccccc1 ZINC000009002104 569496050 /nfs/dbraw/zinc/49/60/50/569496050.db2.gz SNYFOPDMKNUSMN-JOCHJYFZSA-N 0 0 425.532 4.674 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000009030629 569497096 /nfs/dbraw/zinc/49/70/96/569497096.db2.gz KRZXXOKWEIPHKB-UHFFFAOYSA-N 0 0 443.521 4.865 50 0 IJAARN CCCCc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OCc3ccccc3)ccc12 ZINC000009033982 569497218 /nfs/dbraw/zinc/49/72/18/569497218.db2.gz VKEAYNGXZSNEFO-UHFFFAOYSA-N 0 0 437.492 4.748 50 0 biogenic IJAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000009053871 569498871 /nfs/dbraw/zinc/49/88/71/569498871.db2.gz FXGGEUVOVUBXRW-LJQANCHMSA-N 0 0 435.578 4.809 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245228597 569499915 /nfs/dbraw/zinc/49/99/15/569499915.db2.gz VTPWCUNKCPOBGP-FDDOMMOESA-N 0 0 439.600 4.950 50 0 IJAARN COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000245238425 569500572 /nfs/dbraw/zinc/50/05/72/569500572.db2.gz NUVMBBGVVOIKFU-CNXCYTMISA-N 0 0 439.511 4.947 50 0 IJAARN COc1ccc(OC)c([C@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3[nH]2)c1 ZINC000009090258 569501008 /nfs/dbraw/zinc/50/10/08/569501008.db2.gz JOQWGUWJZLEPQU-HSZRJFAPSA-N 0 0 426.476 4.503 50 0 IJAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)Nc2ccc(F)cc2)cc1 ZINC000009101120 569501741 /nfs/dbraw/zinc/50/17/41/569501741.db2.gz OUXLMLKVWLXKRN-KRWDZBQOSA-N 0 0 425.485 4.602 50 0 IJAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)Nc2ccc(F)cc2)cc1 ZINC000009101124 569501746 /nfs/dbraw/zinc/50/17/46/569501746.db2.gz OUXLMLKVWLXKRN-QGZVFWFLSA-N 0 0 425.485 4.602 50 0 IJAARN CCOc1ccccc1CNC(=O)c1cc(Cl)ccc1NC(=O)C1=C(C)OCCS1 ZINC000009115193 569502696 /nfs/dbraw/zinc/50/26/96/569502696.db2.gz VPTOHNWQFNXCPS-UHFFFAOYSA-N 0 0 446.956 4.602 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)SCCO1 ZINC000009115213 569502723 /nfs/dbraw/zinc/50/27/23/569502723.db2.gz KRFCFHQCGHOIPT-UHFFFAOYSA-N 0 0 436.577 4.715 50 0 IJAARN Cc1ncc(CO)c2c1Oc1nc(-c3cccc(F)c3)nc(SCc3ccncc3)c1C2 ZINC000009116422 569502924 /nfs/dbraw/zinc/50/29/24/569502924.db2.gz SZHYZQVYJHVKHZ-UHFFFAOYSA-N 0 0 446.507 4.862 50 0 IJAARN CCc1cc2c(CSc3nnc(-c4ccccc4Cl)n3C)cc(=O)oc2cc1O ZINC000009119748 569503658 /nfs/dbraw/zinc/50/36/58/569503658.db2.gz OZYXVDSXQHXWJL-UHFFFAOYSA-N 0 0 427.913 4.802 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000009123800 569504235 /nfs/dbraw/zinc/50/42/35/569504235.db2.gz RNIXJJIPQFCPIH-LJQANCHMSA-N 0 0 428.883 4.866 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(Cc2ccccc2)C3=O)c1 ZINC000009124113 569504309 /nfs/dbraw/zinc/50/43/09/569504309.db2.gz CQMOGGNNCDXFLA-XMMPIXPASA-N 0 0 425.488 4.850 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1c[nH]c2ccccc12 ZINC000009125190 569504612 /nfs/dbraw/zinc/50/46/12/569504612.db2.gz GTLGCNLLTOCWLQ-UHFFFAOYSA-N 0 0 437.849 4.870 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)o1 ZINC000009127215 569505144 /nfs/dbraw/zinc/50/51/44/569505144.db2.gz YMDCXGIAVPYMIC-UHFFFAOYSA-N 0 0 439.468 4.657 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000009128807 569505505 /nfs/dbraw/zinc/50/55/05/569505505.db2.gz LVIYQWAXEJPCTO-OAHLLOKOSA-N 0 0 448.504 4.551 50 0 IJAARN O=C(NCc1ccc(Br)cc1)c1cnc(-c2ccncc2)nc1-c1ccccc1 ZINC000040455724 569506565 /nfs/dbraw/zinc/50/65/65/569506565.db2.gz PZWCWVSXBKMZNH-UHFFFAOYSA-N 0 0 445.320 4.898 50 0 IJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478301 569506715 /nfs/dbraw/zinc/50/67/15/569506715.db2.gz OOYFXLVDJZRBOF-UHFFFAOYSA-N 0 0 426.192 4.990 50 0 IJAARN O=C(COc1ncnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009138690 569507187 /nfs/dbraw/zinc/50/71/87/569507187.db2.gz PIMUZDPXAAHQLU-HXUWFJFHSA-N 0 0 432.867 4.633 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)S(C)(=O)=O)cc1C ZINC000009144683 569507332 /nfs/dbraw/zinc/50/73/32/569507332.db2.gz CDPSUBXJYPNFLR-UHFFFAOYSA-N 0 0 444.503 4.800 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CN(C(=O)c2ccc(F)cc2)CCS1 ZINC000009165009 569508768 /nfs/dbraw/zinc/50/87/68/569508768.db2.gz KFIBNAPAHATYEA-HSZRJFAPSA-N 0 0 434.536 4.613 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc2OCC(C)(C)C1=O ZINC000009167818 569509137 /nfs/dbraw/zinc/50/91/37/569509137.db2.gz XGWRAZBAUCAWEW-UHFFFAOYSA-N 0 0 436.961 4.611 50 0 IJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000009168846 569509199 /nfs/dbraw/zinc/50/91/99/569509199.db2.gz BUCCCMXTAYVUFD-UHFFFAOYSA-N 0 0 432.451 4.862 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009174155 569509594 /nfs/dbraw/zinc/50/95/94/569509594.db2.gz YTRVSSOXOVNJSV-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN COc1ccc(-c2nc(COC(=O)C(O)(c3ccccc3)c3ccccc3)cs2)cc1 ZINC000009181174 569509783 /nfs/dbraw/zinc/50/97/83/569509783.db2.gz VDBRBARNTHNOEL-UHFFFAOYSA-N 0 0 431.513 4.798 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009190721 569510589 /nfs/dbraw/zinc/51/05/89/569510589.db2.gz ZAKSGJMIQVZIJF-VWLOTQADSA-N 0 0 426.472 4.562 50 0 IJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000009191942 569510719 /nfs/dbraw/zinc/51/07/19/569510719.db2.gz RJACWYBNRGNIOK-DXNYSGJVSA-N 0 0 441.064 4.829 50 0 IJAARN CN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 ZINC000009193147 569510814 /nfs/dbraw/zinc/51/08/14/569510814.db2.gz PBTJMKZZVZOBMT-JOCHJYFZSA-N 0 0 435.487 4.849 50 0 IJAARN COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009194008 569510875 /nfs/dbraw/zinc/51/08/75/569510875.db2.gz MKOCECIPKACUOF-UHFFFAOYSA-N 0 0 441.553 4.577 50 0 IJAARN CCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccc2c(c1)OCCO2 ZINC000009193262 569510893 /nfs/dbraw/zinc/51/08/93/569510893.db2.gz WDBJDVWDSLJSDK-UHFFFAOYSA-N 0 0 434.521 4.501 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000009209854 569511646 /nfs/dbraw/zinc/51/16/46/569511646.db2.gz SOBHCIWKRNGJGB-SQJMNOBHSA-N 0 0 444.487 4.733 50 0 IJAARN CSc1ccc(CNC(=O)CCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000009211844 569511900 /nfs/dbraw/zinc/51/19/00/569511900.db2.gz DGRVQPDBBNNVNJ-UHFFFAOYSA-N 0 0 433.577 4.602 50 0 IJAARN C[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000009215946 569512115 /nfs/dbraw/zinc/51/21/15/569512115.db2.gz NEJBPWSVNSBHDJ-FVFHPELPSA-N 0 0 436.596 4.954 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)C1 ZINC000009219402 569512509 /nfs/dbraw/zinc/51/25/09/569512509.db2.gz BVBISGGNKNNRDQ-HOTGVXAUSA-N 0 0 441.984 4.636 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1cccc(Cl)c1)[C@@H]3c1ccccc1 ZINC000009235856 569514029 /nfs/dbraw/zinc/51/40/29/569514029.db2.gz QTNYXYXSXJMQJH-IBGZPJMESA-N 0 0 428.883 4.866 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238241 569514238 /nfs/dbraw/zinc/51/42/38/569514238.db2.gz SHWDVGJZZXFRIT-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)c1 ZINC000009238310 569514315 /nfs/dbraw/zinc/51/43/15/569514315.db2.gz HFAQSBUBLHTZQL-NHCUHLMSSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239431 569514575 /nfs/dbraw/zinc/51/45/75/569514575.db2.gz AHEJWHYLTVOSON-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN Cn1c(CCNC(=O)C2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009243585 569514911 /nfs/dbraw/zinc/51/49/11/569514911.db2.gz RSFLPKOJIJNJNL-UHFFFAOYSA-N 0 0 438.959 4.718 50 0 IJAARN COc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000009243696 569514957 /nfs/dbraw/zinc/51/49/57/569514957.db2.gz OIOHDCTUDLBBJY-XMMPIXPASA-N 0 0 440.503 4.548 50 0 IJAARN Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NCCc2ccccc2)c1 ZINC000009250142 569515629 /nfs/dbraw/zinc/51/56/29/569515629.db2.gz AFPBJCCCYDLIER-UHFFFAOYSA-N 0 0 433.577 4.710 50 0 IJAARN CSc1ccc2cc(CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)c(Cl)nc2c1 ZINC000009253798 569516241 /nfs/dbraw/zinc/51/62/41/569516241.db2.gz OJZVURLQXAXMQW-NRFANRHFSA-N 0 0 447.894 4.856 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC ZINC000009274740 569518229 /nfs/dbraw/zinc/51/82/29/569518229.db2.gz LPHFUCXPRYNYNU-UHFFFAOYSA-N 0 0 431.876 4.838 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccccc1F ZINC000009282900 569518810 /nfs/dbraw/zinc/51/88/10/569518810.db2.gz XKYRHCLXYQNPGQ-UHFFFAOYSA-N 0 0 449.891 4.933 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000009283555 569518915 /nfs/dbraw/zinc/51/89/15/569518915.db2.gz VRAWJUNZEZUATR-SECBINFHSA-N 0 0 429.325 4.814 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(O)cc2)cc1 ZINC000009288272 569519367 /nfs/dbraw/zinc/51/93/67/569519367.db2.gz PACYPQUTGBMEIU-QHCPKHFHSA-N 0 0 426.476 4.678 50 0 IJAARN CC[C@@H](C(=O)NCc1cccc(Cl)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289138 569519553 /nfs/dbraw/zinc/51/95/53/569519553.db2.gz ODGDSXQRTBUSGY-KRWDZBQOSA-N 0 0 425.941 4.841 50 0 IJAARN Fc1cc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)ccc1Cl ZINC000009293550 569520210 /nfs/dbraw/zinc/52/02/10/569520210.db2.gz WQFFPBVYTVNRFG-FCHUYYIVSA-N 0 0 431.858 4.678 50 0 IJAARN COc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1 ZINC000009296418 569520476 /nfs/dbraw/zinc/52/04/76/569520476.db2.gz ZQCVTMRAZXPULL-UHFFFAOYSA-N 0 0 448.533 4.742 50 0 IJAARN CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(Cl)c1OCc1ccccc1F ZINC000009296391 569520488 /nfs/dbraw/zinc/52/04/88/569520488.db2.gz GJIRVRIHDAINBP-WQRHYEAKSA-N 0 0 448.947 4.877 50 0 IJAARN O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)c(Cl)c1 ZINC000009296871 569520510 /nfs/dbraw/zinc/52/05/10/569520510.db2.gz QMXYIXWSPSXALW-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C(C)C)c1 ZINC000009303852 569521043 /nfs/dbraw/zinc/52/10/43/569521043.db2.gz FLHFTOUUAOSJKO-OAHLLOKOSA-N 0 0 431.587 4.631 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1OC ZINC000009304571 569521167 /nfs/dbraw/zinc/52/11/67/569521167.db2.gz ONHHWIUNTKAARG-JOCHJYFZSA-N 0 0 444.487 4.621 50 0 IJAARN CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009309602 569521646 /nfs/dbraw/zinc/52/16/46/569521646.db2.gz ZPNSOLOXSDYRGJ-DNQXCXABSA-N 0 0 439.544 4.916 50 0 IJAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3CC)c3ccccn32)cc1 ZINC000009316882 569522316 /nfs/dbraw/zinc/52/23/16/569522316.db2.gz BMWMMKHXLYBFJC-UHFFFAOYSA-N 0 0 427.504 4.966 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)c(OC)c1 ZINC000009345175 569524101 /nfs/dbraw/zinc/52/41/01/569524101.db2.gz CYKXNCPBWSKQBA-GOTSBHOMSA-N 0 0 444.516 4.570 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)CC)c3)sc2C)cc1 ZINC000009347432 569524238 /nfs/dbraw/zinc/52/42/38/569524238.db2.gz YPAXDWFWMOXFGM-UHFFFAOYSA-N 0 0 430.551 4.563 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccccc1Cl ZINC000009347812 569524336 /nfs/dbraw/zinc/52/43/36/569524336.db2.gz NMFBJHPPCLHMDB-IBGZPJMESA-N 0 0 428.883 4.866 50 0 IJAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009353929 569525054 /nfs/dbraw/zinc/52/50/54/569525054.db2.gz QHBDJSDKZGBEHV-UHFFFAOYSA-N 0 0 447.000 4.574 50 0 IJAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CSC3)cc1 ZINC000009363782 569525959 /nfs/dbraw/zinc/52/59/59/569525959.db2.gz SCAGYLCJMMIXHL-UHFFFAOYSA-N 0 0 430.327 4.643 50 0 IJAARN CCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000009368988 569526666 /nfs/dbraw/zinc/52/66/66/569526666.db2.gz XFUPPSFDCQVCAM-UHFFFAOYSA-N 0 0 449.349 4.601 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1OC ZINC000009369706 569526752 /nfs/dbraw/zinc/52/67/52/569526752.db2.gz MKMNLSPPVYSFJV-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN CC(C)Cn1c(=O)c2c3c(sc2nc1SCc1cn2ccsc2n1)CCCC3 ZINC000009373576 569527048 /nfs/dbraw/zinc/52/70/48/569527048.db2.gz ROGAIOYMYXJJSZ-UHFFFAOYSA-N 0 0 430.624 4.994 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ncc(-c5ccc(F)cc5)o4)C3=O)ccc2c1 ZINC000009376018 569527266 /nfs/dbraw/zinc/52/72/66/569527266.db2.gz AJBQIEXTZACWDR-RUZDIDTESA-N 0 0 445.450 4.610 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(NC[C@H]3CCCO3)s2)cc1 ZINC000009376165 569527291 /nfs/dbraw/zinc/52/72/91/569527291.db2.gz HHMMOPRNHUDTAK-GOSISDBHSA-N 0 0 426.567 4.674 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000009377203 569527432 /nfs/dbraw/zinc/52/74/32/569527432.db2.gz WPSCNUROMCNTSJ-DEOSSOPVSA-N 0 0 440.499 4.838 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000009378396 569527670 /nfs/dbraw/zinc/52/76/70/569527670.db2.gz SSEWFOYUYLFRIF-UHFFFAOYSA-N 0 0 438.535 4.918 50 0 IJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN=C1SCc1cccnc1 ZINC000009381100 569528092 /nfs/dbraw/zinc/52/80/92/569528092.db2.gz AZZHLLHYEUEGGD-UHFFFAOYSA-N 0 0 433.377 4.864 50 0 IJAARN Cc1ccccc1-n1c(Cn2c3ccccc3sc2=O)nnc1SCc1cccnc1 ZINC000009382863 569528329 /nfs/dbraw/zinc/52/83/29/569528329.db2.gz UAUDYIGRMIXKGJ-UHFFFAOYSA-N 0 0 445.573 4.688 50 0 IJAARN Cc1nc(C2(NC(=O)COc3ccc(OCc4ccccc4)cc3)CCCCCC2)no1 ZINC000070013161 569528533 /nfs/dbraw/zinc/52/85/33/569528533.db2.gz KLRPJRBMOGFPOH-UHFFFAOYSA-N 0 0 435.524 4.702 50 0 IJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000070017601 569528666 /nfs/dbraw/zinc/52/86/66/569528666.db2.gz JDPXGEHBMDPCEV-QFIPXVFZSA-N 0 0 426.476 4.600 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1C ZINC000009391204 569528956 /nfs/dbraw/zinc/52/89/56/569528956.db2.gz VBELTBXPYXQPOG-DEOSSOPVSA-N 0 0 449.576 4.867 50 0 biogenic IJAARN Cc1ccccc1C(=O)NCCn1cc(SCC(=O)NC2CCCCC2)c2ccccc21 ZINC000009391841 569529046 /nfs/dbraw/zinc/52/90/46/569529046.db2.gz QZRLHTBYRPHNCF-UHFFFAOYSA-N 0 0 449.620 4.921 50 0 IJAARN CCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009398840 569529294 /nfs/dbraw/zinc/52/92/94/569529294.db2.gz ZWRBRHABRAOLSA-LSDHHAIUSA-N 0 0 429.973 4.818 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)sc2c1 ZINC000009404233 569529607 /nfs/dbraw/zinc/52/96/07/569529607.db2.gz PNIUOBSUSSLUCC-UHFFFAOYSA-N 0 0 449.557 4.608 50 0 IJAARN Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405657 569529985 /nfs/dbraw/zinc/52/99/85/569529985.db2.gz USNIYQSRWYJBOO-UHFFFAOYSA-N 0 0 435.593 4.588 50 0 IJAARN COc1ccccc1CNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000009408003 569530469 /nfs/dbraw/zinc/53/04/69/569530469.db2.gz WWALZDAFLQSDOI-UHFFFAOYSA-N 0 0 442.563 4.912 50 0 IJAARN CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000009409104 569530950 /nfs/dbraw/zinc/53/09/50/569530950.db2.gz YHZYAYJEHSNMHW-DEOSSOPVSA-N 0 0 435.524 4.541 50 0 IJAARN Cc1ccccc1COc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 ZINC000009410083 569531267 /nfs/dbraw/zinc/53/12/67/569531267.db2.gz YNEUGJCGXNCEBK-JOCHJYFZSA-N 0 0 437.499 4.798 50 0 IJAARN COc1cc(-c2cc(=O)c3c(C)oc(C)c3c(OC)c2)ccc1OC(=O)c1ccncc1 ZINC000009410406 569531324 /nfs/dbraw/zinc/53/13/24/569531324.db2.gz RRFRVELQEANFFJ-UHFFFAOYSA-N 0 0 431.444 4.708 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1C ZINC000009412399 569531590 /nfs/dbraw/zinc/53/15/90/569531590.db2.gz YEUJVYRJNNGACH-HUUCEWRRSA-N 0 0 431.627 4.603 50 0 IJAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C)cc4C)nn32)cc1 ZINC000009415230 569532167 /nfs/dbraw/zinc/53/21/67/569532167.db2.gz LANULGQIRQYGJW-UHFFFAOYSA-N 0 0 433.537 4.538 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000009415656 569532227 /nfs/dbraw/zinc/53/22/27/569532227.db2.gz SLCRPZWLFKWJGI-UHFFFAOYSA-N 0 0 429.567 4.731 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000009416089 569532287 /nfs/dbraw/zinc/53/22/87/569532287.db2.gz DTFHTCZABQFUEI-UHFFFAOYSA-N 0 0 448.450 4.968 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000009423546 569532945 /nfs/dbraw/zinc/53/29/45/569532945.db2.gz HLFJMUIWMYROQA-UHFFFAOYSA-N 0 0 427.548 4.911 50 0 IJAARN CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc21 ZINC000009428100 569533471 /nfs/dbraw/zinc/53/34/71/569533471.db2.gz JYOHOTAZQAGMLD-HKWRFOASSA-N 0 0 427.891 4.946 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2cc(C)cc(C)c2c1C)[C@H]1CCS(=O)(=O)C1 ZINC000009431314 569534124 /nfs/dbraw/zinc/53/41/24/569534124.db2.gz JIJVAAHKUOLOCN-KRWDZBQOSA-N 0 0 431.579 4.557 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000009431303 569534145 /nfs/dbraw/zinc/53/41/45/569534145.db2.gz FOCJTEBVQHCKBH-OAHLLOKOSA-N 0 0 437.970 4.594 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)c(C)c1 ZINC000009435401 569534839 /nfs/dbraw/zinc/53/48/39/569534839.db2.gz ORAZHUMVVYHFOR-UHFFFAOYSA-N 0 0 442.556 4.508 50 0 IJAARN C[C@H](NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C)C3)c1ccc2c(c1)OCO2 ZINC000009442720 569535579 /nfs/dbraw/zinc/53/55/79/569535579.db2.gz BLQVONITUXHIAM-OLZOCXBDSA-N 0 0 441.578 4.514 50 0 IJAARN NC(=O)c1c(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)sc2c1CCC2 ZINC000009442641 569535599 /nfs/dbraw/zinc/53/55/99/569535599.db2.gz RMYNXBSZPIOUNN-UHFFFAOYSA-N 0 0 434.892 4.739 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000009442668 569535606 /nfs/dbraw/zinc/53/56/06/569535606.db2.gz PISNUUBPBUBBDN-CQSZACIVSA-N 0 0 445.260 4.910 50 0 IJAARN COc1cc2c(cc1OC)CN(CC(=O)N1c3ccccc3Sc3ccccc31)CC2 ZINC000009449274 569536162 /nfs/dbraw/zinc/53/61/62/569536162.db2.gz FBLDJVLUABMOQE-UHFFFAOYSA-N 0 0 432.545 4.891 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000009453315 569536594 /nfs/dbraw/zinc/53/65/94/569536594.db2.gz NQALKFGUIXXYPG-QFIPXVFZSA-N 0 0 430.435 4.866 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1ccc2ccccc2c1 ZINC000009462751 569537301 /nfs/dbraw/zinc/53/73/01/569537301.db2.gz KPSXRMNAEOMWKG-MRXNPFEDSA-N 0 0 428.579 4.518 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccc(OC)cc1 ZINC000009463362 569537445 /nfs/dbraw/zinc/53/74/45/569537445.db2.gz KEFWOKCAQOPUPN-ZJSXRUAMSA-N 0 0 438.572 4.725 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000009469569 569538769 /nfs/dbraw/zinc/53/87/69/569538769.db2.gz XHXPPOJXYYACHC-VQTJNVASSA-N 0 0 441.645 4.525 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009488429 569539872 /nfs/dbraw/zinc/53/98/72/569539872.db2.gz JUBUHLITTHCJPJ-QFIPXVFZSA-N 0 0 430.460 4.855 50 0 IJAARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)c(Cl)c2)ccc1O ZINC000009489875 569540035 /nfs/dbraw/zinc/54/00/35/569540035.db2.gz WBJXAYQWLFIPDE-XYOKQWHBSA-N 0 0 434.879 4.932 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2F)cc1Cl ZINC000009490317 569540187 /nfs/dbraw/zinc/54/01/87/569540187.db2.gz RWQDJDGJSQYZME-UHFFFAOYSA-N 0 0 432.904 4.518 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C[C@]1(C(=O)N(c3ccc(Cl)cc3)N=C1C)[C@@H]1CCCN21 ZINC000009491903 569540454 /nfs/dbraw/zinc/54/04/54/569540454.db2.gz GIDBLFMYQGUNMN-WIOPSUGQSA-N 0 0 445.954 4.768 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)cc1 ZINC000009494932 569540943 /nfs/dbraw/zinc/54/09/43/569540943.db2.gz MMMJHOABIPUJPS-UHFFFAOYSA-N 0 0 442.523 4.601 50 0 IJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009496615 569541234 /nfs/dbraw/zinc/54/12/34/569541234.db2.gz NGHNXDKVTIJISY-UHFFFAOYSA-N 0 0 430.501 4.697 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1OC ZINC000009500193 569541483 /nfs/dbraw/zinc/54/14/83/569541483.db2.gz MSKOCVQTGFIQOG-UHFFFAOYSA-N 0 0 444.535 4.669 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccccc1F ZINC000009507137 569541967 /nfs/dbraw/zinc/54/19/67/569541967.db2.gz ZICVTFOYUXXGIK-HNNXBMFYSA-N 0 0 430.524 4.849 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000009507397 569542008 /nfs/dbraw/zinc/54/20/08/569542008.db2.gz LVBCDNIDHYPJRE-KRWDZBQOSA-N 0 0 430.533 4.656 50 0 IJAARN CC(=O)c1ccc(OCCCC(=O)NCCSc2ccc(Br)cc2)cc1 ZINC000009507389 569542023 /nfs/dbraw/zinc/54/20/23/569542023.db2.gz HXNLESLNAQIGIU-UHFFFAOYSA-N 0 0 436.371 4.719 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NCc3ccc(OC)cc3)ccc21 ZINC000009510837 569542830 /nfs/dbraw/zinc/54/28/30/569542830.db2.gz WGDAWLAJMLGTOA-UHFFFAOYSA-N 0 0 429.520 4.858 50 0 IJAARN CCCn1c(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)nc2ccccc21 ZINC000009511910 569542894 /nfs/dbraw/zinc/54/28/94/569542894.db2.gz SPGKRRMTMBQUAV-UHFFFAOYSA-N 0 0 434.496 4.891 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000009514149 569543168 /nfs/dbraw/zinc/54/31/68/569543168.db2.gz RMTVCAASRIHJQX-HNNXBMFYSA-N 0 0 429.501 4.688 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc12 ZINC000009517048 569543594 /nfs/dbraw/zinc/54/35/94/569543594.db2.gz DQBLOBWXZUJEQE-UHFFFAOYSA-N 0 0 436.512 4.554 50 0 IJAARN Cc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522593 569544404 /nfs/dbraw/zinc/54/44/04/569544404.db2.gz CAJHTSXXIVTSHD-HNNXBMFYSA-N 0 0 444.940 4.742 50 0 IJAARN Cc1c2nc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)sc2ccc1Cl ZINC000009522602 569544410 /nfs/dbraw/zinc/54/44/10/569544410.db2.gz MPRCYLLFZOLHME-OAHLLOKOSA-N 0 0 444.940 4.742 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4OC)CC3)n2)cc1 ZINC000009527016 569544625 /nfs/dbraw/zinc/54/46/25/569544625.db2.gz LYTQFMJRZUUQMN-UHFFFAOYSA-N 0 0 426.520 4.641 50 0 IJAARN O=C(Nc1ccccc1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1 ZINC000009527922 569544692 /nfs/dbraw/zinc/54/46/92/569544692.db2.gz LQRUFMVPDIBUTR-UHFFFAOYSA-N 0 0 432.499 5.000 50 0 IJAARN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000009531817 569545194 /nfs/dbraw/zinc/54/51/94/569545194.db2.gz UKUCBLAUFDUFRW-UHFFFAOYSA-N 0 0 433.537 4.620 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1nc2ccc(F)cc2s1 ZINC000009533241 569545458 /nfs/dbraw/zinc/54/54/58/569545458.db2.gz JPCOUYOVDCEHBP-UHFFFAOYSA-N 0 0 445.570 4.745 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@@H](C)c3cccc(Cl)c3)c(=O)c12 ZINC000009549752 569546605 /nfs/dbraw/zinc/54/66/05/569546605.db2.gz VWLODXAVBMZPTA-HNNXBMFYSA-N 0 0 437.952 4.964 50 0 IJAARN Cc1cccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2cccc(Br)c2)c1 ZINC000009554134 569546773 /nfs/dbraw/zinc/54/67/73/569546773.db2.gz XXMFXOOFBKUJFN-UDWIEESQSA-N 0 0 436.309 4.562 50 0 IJAARN Cc1c(C(=O)O[C@@H]2CCOC2=O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000009562665 569547319 /nfs/dbraw/zinc/54/73/19/569547319.db2.gz PVVBJRJNDJJZGG-LLVKDONJSA-N 0 0 427.425 4.824 50 0 IJAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(C(F)(F)F)cc1 ZINC000009568935 569547485 /nfs/dbraw/zinc/54/74/85/569547485.db2.gz YWKHVBZWABRAMV-UHFFFAOYSA-N 0 0 434.418 4.588 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)o1 ZINC000009575987 569548024 /nfs/dbraw/zinc/54/80/24/569548024.db2.gz HXLNVCSTLMECKU-AWEZNQCLSA-N 0 0 440.550 4.746 50 0 IJAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)Nc1ccc2c(c1)OCO2 ZINC000009576290 569548076 /nfs/dbraw/zinc/54/80/76/569548076.db2.gz JUXHRTIDYOXRLE-UHFFFAOYSA-N 0 0 449.846 4.860 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000009577493 569548217 /nfs/dbraw/zinc/54/82/17/569548217.db2.gz MRSILSCBZRFJFL-IBGZPJMESA-N 0 0 427.500 4.976 50 0 biogenic IJAARN O=C(Nc1cccc2cccnc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000009579072 569548430 /nfs/dbraw/zinc/54/84/30/569548430.db2.gz FBEIAAGCPDMMLC-UHFFFAOYSA-N 0 0 437.908 4.941 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCCSc2nc3ccccc3s2)c1C ZINC000009583946 569549317 /nfs/dbraw/zinc/54/93/17/569549317.db2.gz JZKMXLDWASJAFS-UHFFFAOYSA-N 0 0 430.551 4.742 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)c2cc1C ZINC000009584399 569549398 /nfs/dbraw/zinc/54/93/98/569549398.db2.gz QFDNCAPLHBSRTO-JOCHJYFZSA-N 0 0 445.302 4.684 50 0 IJAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1nc(-c2cccnc2)cs1 ZINC000070655561 569550097 /nfs/dbraw/zinc/55/00/97/569550097.db2.gz GHYVOSMODAEYFS-UHFFFAOYSA-N 0 0 441.563 4.547 50 0 IJAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC000009593738 569550445 /nfs/dbraw/zinc/55/04/45/569550445.db2.gz NNEGONWIBITBHU-UHFFFAOYSA-N 0 0 445.610 4.867 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1 ZINC000009594207 569550591 /nfs/dbraw/zinc/55/05/91/569550591.db2.gz FWBDJRCQZWXSME-HXUWFJFHSA-N 0 0 432.476 4.589 50 0 IJAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c1 ZINC000009609628 569552349 /nfs/dbraw/zinc/55/23/49/569552349.db2.gz NQMKXXMCRKHXOL-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COC(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1 ZINC000009609686 569552377 /nfs/dbraw/zinc/55/23/77/569552377.db2.gz LPHQBSOXEBCSRM-UHFFFAOYSA-N 0 0 446.482 4.510 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1cn(Cc2ccccc2F)c2cc3c(cc2c1=O)OCO3 ZINC000009610741 569552574 /nfs/dbraw/zinc/55/25/74/569552574.db2.gz RDYRPRPTZAAJOF-UHFFFAOYSA-N 0 0 435.838 4.802 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc2sc3ccccc3n12)C12CC3CC(CC(C3)C1)C2 ZINC000009613517 569553002 /nfs/dbraw/zinc/55/30/02/569553002.db2.gz KVTQHBILBCWCSH-ZHHULCEESA-N 0 0 426.611 4.757 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000009613607 569553055 /nfs/dbraw/zinc/55/30/55/569553055.db2.gz QZMKAMHXIDXTKW-SFHVURJKSA-N 0 0 429.498 4.837 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009630735 569553632 /nfs/dbraw/zinc/55/36/32/569553632.db2.gz CCUFTXDKHNTAHU-UHFFFAOYSA-N 0 0 436.777 4.502 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1-c1ccccc1 ZINC000009631710 569553832 /nfs/dbraw/zinc/55/38/32/569553832.db2.gz BBSYDXYPXYXTBO-UHFFFAOYSA-N 0 0 430.533 4.698 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)NCc1cccs1 ZINC000009631861 569553844 /nfs/dbraw/zinc/55/38/44/569553844.db2.gz XOWSHIKOPUBGCA-UHFFFAOYSA-N 0 0 438.553 4.603 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009631845 569553855 /nfs/dbraw/zinc/55/38/55/569553855.db2.gz MKHWLISKJCHMOD-UHFFFAOYSA-N 0 0 447.520 4.502 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 ZINC000009631943 569553893 /nfs/dbraw/zinc/55/38/93/569553893.db2.gz CWSHBKNAOMGRSP-UHFFFAOYSA-N 0 0 438.549 4.698 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000009640144 569555321 /nfs/dbraw/zinc/55/53/21/569555321.db2.gz IGBYSNQWPHPZGD-UHFFFAOYSA-N 0 0 428.941 4.803 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)[C@H]1COc2ccccc2O1 ZINC000009642126 569555763 /nfs/dbraw/zinc/55/57/63/569555763.db2.gz GQOAHWTZIKARHW-HSZRJFAPSA-N 0 0 439.533 4.524 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C(=O)N(C)C)c3ccccc3)nnc2-c2cccnc2)c(C)c1 ZINC000009647769 569556462 /nfs/dbraw/zinc/55/64/62/569556462.db2.gz UPCHEVMEPVVAEW-QFIPXVFZSA-N 0 0 443.576 4.868 50 0 IJAARN O=c1c2ncccc2n(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccc(Cl)cc1 ZINC000009660713 569556909 /nfs/dbraw/zinc/55/69/09/569556909.db2.gz VMBSBEWSTYSQHA-UHFFFAOYSA-N 0 0 446.721 4.615 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009664234 569557359 /nfs/dbraw/zinc/55/73/59/569557359.db2.gz JBMXUAIHJMQTRH-LJQANCHMSA-N 0 0 442.562 4.722 50 0 IJAARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N1CCCC1 ZINC000009667752 569557856 /nfs/dbraw/zinc/55/78/56/569557856.db2.gz GSNBRAWGEVHXSJ-UHFFFAOYSA-N 0 0 446.878 4.704 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2nc(-c3ccccc3C)no2)cc1 ZINC000009669947 569558140 /nfs/dbraw/zinc/55/81/40/569558140.db2.gz OJMUPCIHOHLQJV-UHFFFAOYSA-N 0 0 449.532 4.839 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000009669936 569558142 /nfs/dbraw/zinc/55/81/42/569558142.db2.gz FCGQXVXBZNJCCG-HZPDHXFCSA-N 0 0 441.988 4.864 50 0 IJAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009672154 569558741 /nfs/dbraw/zinc/55/87/41/569558741.db2.gz QUZFAHPBYQWDGR-XMMPIXPASA-N 0 0 426.520 4.552 50 0 IJAARN COc1cc2c(C(=O)Nc3ccc(F)cc3Cl)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673375 569558922 /nfs/dbraw/zinc/55/89/22/569558922.db2.gz KBZPVKIZPHRZKD-UHFFFAOYSA-N 0 0 432.879 4.720 50 0 IJAARN Cc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)C1CCCCC1 ZINC000009673736 569558982 /nfs/dbraw/zinc/55/89/82/569558982.db2.gz XHYUPXLYSRCIJI-HSZRJFAPSA-N 0 0 439.581 4.625 50 0 IJAARN COCCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(Cl)cc1 ZINC000009674167 569559143 /nfs/dbraw/zinc/55/91/43/569559143.db2.gz JARKTSSAKIAYDH-UHFFFAOYSA-N 0 0 429.973 4.950 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679498 569559991 /nfs/dbraw/zinc/55/99/91/569559991.db2.gz RZUZOJMLBWSPIY-LJQANCHMSA-N 0 0 430.291 4.951 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccc(OC)cc1 ZINC000009684885 569560572 /nfs/dbraw/zinc/56/05/72/569560572.db2.gz NRSOCAUDILKYGM-UHFFFAOYSA-N 0 0 438.372 4.773 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2 ZINC000009688393 569560811 /nfs/dbraw/zinc/56/08/11/569560811.db2.gz UTHCTPGJRTZTDI-UHFFFAOYSA-N 0 0 425.488 4.591 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccccc2Br)o1)c1nc2ccccc2c(=O)[nH]1 ZINC000009690542 569560972 /nfs/dbraw/zinc/56/09/72/569560972.db2.gz USCQAHDGSGXKPB-SNVBAGLBSA-N 0 0 429.299 4.589 50 0 IJAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCc1ccc2c(c1)OCO2 ZINC000009693744 569561192 /nfs/dbraw/zinc/56/11/92/569561192.db2.gz UUZIUSMGJCOWPO-UHFFFAOYSA-N 0 0 440.952 4.904 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 ZINC000009707474 569561569 /nfs/dbraw/zinc/56/15/69/569561569.db2.gz ZRUXGWCXMLSESD-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1Cl ZINC000009708333 569561942 /nfs/dbraw/zinc/56/19/42/569561942.db2.gz JJHFXSNZFFEGAH-FQEVSTJZSA-N 0 0 439.968 4.569 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)s1)C1CC1 ZINC000009711960 569562104 /nfs/dbraw/zinc/56/21/04/569562104.db2.gz NEELIIABKJPFSF-UHFFFAOYSA-N 0 0 438.578 4.841 50 0 IJAARN Cc1ccc(-c2csc3[nH]c(CSc4nnc5n4CCCCC5)nc(=O)c23)s1 ZINC000009711967 569562141 /nfs/dbraw/zinc/56/21/41/569562141.db2.gz NEOAQELAVLGAQG-UHFFFAOYSA-N 0 0 429.596 4.632 50 0 IJAARN CCCCn1nc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O ZINC000009712151 569562199 /nfs/dbraw/zinc/56/21/99/569562199.db2.gz MWZSHQZBVIYNKJ-KRWDZBQOSA-N 0 0 446.576 4.826 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000009712712 569562326 /nfs/dbraw/zinc/56/23/26/569562326.db2.gz BTJVUYTVGINESZ-UHFFFAOYSA-N 0 0 427.334 4.773 50 0 IJAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000009712682 569562328 /nfs/dbraw/zinc/56/23/28/569562328.db2.gz SLXRNESSHQIJBG-UHFFFAOYSA-N 0 0 429.520 4.768 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1cccc(C(=O)NC3CC3)c1)c2-n1cccc1 ZINC000009713846 569562722 /nfs/dbraw/zinc/56/27/22/569562722.db2.gz NBWZSSYAOLPMKE-UHFFFAOYSA-N 0 0 430.533 4.848 50 0 IJAARN COc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000009720372 569563277 /nfs/dbraw/zinc/56/32/77/569563277.db2.gz SHUDPPSLXZZLQS-SANMLTNESA-N 0 0 441.531 4.866 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1nnc(-c2cccs2)o1 ZINC000009721362 569563386 /nfs/dbraw/zinc/56/33/86/569563386.db2.gz WCDMWYUZADGLKW-LBPRGKRZSA-N 0 0 426.571 4.921 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000009729706 569564267 /nfs/dbraw/zinc/56/42/67/569564267.db2.gz OGPZTDMGKOHTQZ-UHFFFAOYSA-N 0 0 447.491 4.701 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000009730941 569564477 /nfs/dbraw/zinc/56/44/77/569564477.db2.gz POOXIJZKFNDWKZ-HNNXBMFYSA-N 0 0 443.532 4.592 50 0 IJAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1=O ZINC000009740134 569565074 /nfs/dbraw/zinc/56/50/74/569565074.db2.gz OPGYRKYNZXNPRU-DEOSSOPVSA-N 0 0 449.894 4.538 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1 ZINC000009741383 569565225 /nfs/dbraw/zinc/56/52/25/569565225.db2.gz IKGYGPIVTDXKSB-LJQANCHMSA-N 0 0 435.954 4.843 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1)c1cccs1 ZINC000009742046 569565378 /nfs/dbraw/zinc/56/53/78/569565378.db2.gz CGTRNNLNHHHNHZ-HXUWFJFHSA-N 0 0 447.585 4.775 50 0 IJAARN C[C@@H]1c2cccc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4F)c3)c2O[C@H]1C ZINC000009744524 569565610 /nfs/dbraw/zinc/56/56/10/569565610.db2.gz PFSHLICEUJLCDA-GJZGRUSLSA-N 0 0 440.496 4.763 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Br ZINC000009747837 569565897 /nfs/dbraw/zinc/56/58/97/569565897.db2.gz RYDHKRHJXZOYFS-OAHLLOKOSA-N 0 0 430.346 4.570 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1Cl ZINC000009751566 569566049 /nfs/dbraw/zinc/56/60/49/569566049.db2.gz NIMGCCMVWWMBQU-UHFFFAOYSA-N 0 0 427.913 4.937 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000009767431 569566898 /nfs/dbraw/zinc/56/68/98/569566898.db2.gz NRQZQMLZVIHCGJ-QFIPXVFZSA-N 0 0 425.488 4.802 50 0 IJAARN CCCCCn1c(SCc2ccncc2)nc2cc(C(=O)N(CC)CC)ccc2c1=O ZINC000009775443 569567024 /nfs/dbraw/zinc/56/70/24/569567024.db2.gz AZSWYNAHRWQEAQ-UHFFFAOYSA-N 0 0 438.597 4.756 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000009783157 569567766 /nfs/dbraw/zinc/56/77/66/569567766.db2.gz PDPHDJKZJMZBBE-UHFFFAOYSA-N 0 0 440.550 4.746 50 0 IJAARN C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009792694 569568254 /nfs/dbraw/zinc/56/82/54/569568254.db2.gz RLWYSEHLGNUKTF-YWZLYKJASA-N 0 0 427.591 4.904 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1ccc(C)cc1C ZINC000009818886 569569355 /nfs/dbraw/zinc/56/93/55/569569355.db2.gz BSVPUOQIBMVVMF-UHFFFAOYSA-N 0 0 428.587 4.838 50 0 IJAARN Cn1cccc1[C@@H]1CCCN1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009834344 569570557 /nfs/dbraw/zinc/57/05/57/569570557.db2.gz TUOYOQQMMMRICH-VXKWHMMOSA-N 0 0 436.943 4.786 50 0 IJAARN O=C(Nc1cc2c(cc1[C@H](O)c1ccc(Br)cc1)OCCO2)c1cccs1 ZINC000009846178 569571014 /nfs/dbraw/zinc/57/10/14/569571014.db2.gz RDOQEAUOLCMCAN-LJQANCHMSA-N 0 0 446.322 4.616 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000009847220 569571102 /nfs/dbraw/zinc/57/11/02/569571102.db2.gz WOMVHMNYPFIZFI-OAHLLOKOSA-N 0 0 437.544 4.794 50 0 IJAARN CC(C)c1ccc(CNc2nc(NCc3ccc(C(C)C)cc3)n(S(C)(=O)=O)n2)cc1 ZINC000009847142 569571126 /nfs/dbraw/zinc/57/11/26/569571126.db2.gz KDIHCDIZRNCKIK-UHFFFAOYSA-N 0 0 441.601 4.557 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)sc2c1 ZINC000009848065 569571187 /nfs/dbraw/zinc/57/11/87/569571187.db2.gz LAFZSTWVBKDJFU-INIZCTEOSA-N 0 0 429.973 4.881 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000009851137 569571416 /nfs/dbraw/zinc/57/14/16/569571416.db2.gz ODZUINMDFHYSKL-UHFFFAOYSA-N 0 0 438.549 4.737 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000009858345 569571743 /nfs/dbraw/zinc/57/17/43/569571743.db2.gz OVPYDDIYRWHFRV-UHFFFAOYSA-N 0 0 445.592 4.853 50 0 IJAARN O=c1c2sc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccn1 ZINC000009860753 569571852 /nfs/dbraw/zinc/57/18/52/569571852.db2.gz PHNRVTVFHJGJQD-UHFFFAOYSA-N 0 0 433.920 4.523 50 0 IJAARN O=C(CSc1ncnc2ccccc21)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009865343 569572135 /nfs/dbraw/zinc/57/21/35/569572135.db2.gz ZFGJEVXAAVUZHA-UHFFFAOYSA-N 0 0 449.557 4.788 50 0 IJAARN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCSc1cc(Cl)ccc1Cl ZINC000009868876 569572329 /nfs/dbraw/zinc/57/23/29/569572329.db2.gz VWLSFINFOQMBGH-GOSISDBHSA-N 0 0 427.378 4.931 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nc3c(cc(C)cc3C)s2)o1 ZINC000009871286 569572372 /nfs/dbraw/zinc/57/23/72/569572372.db2.gz CUGQVUNXEFWFMJ-UHFFFAOYSA-N 0 0 426.523 4.703 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(F)c1 ZINC000009871457 569572373 /nfs/dbraw/zinc/57/23/73/569572373.db2.gz ADEBNRBSJOQJKB-UHFFFAOYSA-N 0 0 449.511 4.834 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC000009892014 569572939 /nfs/dbraw/zinc/57/29/39/569572939.db2.gz HZAMNYQZHJKOHH-SFHVURJKSA-N 0 0 442.968 4.721 50 0 IJAARN Cc1ccccc1NC(=O)CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000009892740 569573020 /nfs/dbraw/zinc/57/30/20/569573020.db2.gz JMLJRHOOERQBBI-UHFFFAOYSA-N 0 0 425.496 4.718 50 0 IJAARN COc1ccc(CC(=O)n2nc(NCc3cccs3)nc2NCc2cccs2)cc1 ZINC000009907554 569573156 /nfs/dbraw/zinc/57/31/56/569573156.db2.gz URKMFVQDQLOIRK-UHFFFAOYSA-N 0 0 439.566 4.517 50 0 IJAARN O=C(CNc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)Nc1ccccc1 ZINC000009908075 569573182 /nfs/dbraw/zinc/57/31/82/569573182.db2.gz PFSYXCIUTAMGCF-UHFFFAOYSA-N 0 0 447.449 4.688 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000009915431 569573398 /nfs/dbraw/zinc/57/33/98/569573398.db2.gz MYFBPLWYDZPKTA-UHFFFAOYSA-N 0 0 446.981 4.755 50 0 IJAARN C[C@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)Nc1ccccc1F ZINC000009933740 569573764 /nfs/dbraw/zinc/57/37/64/569573764.db2.gz ACETWRRRPQQQJL-INIZCTEOSA-N 0 0 443.486 4.937 50 0 IJAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000009937589 569573796 /nfs/dbraw/zinc/57/37/96/569573796.db2.gz LAYMQYUTAVJAJM-UHFFFAOYSA-N 0 0 426.925 4.541 50 0 IJAARN C[C@H]1CCCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)C1 ZINC000009940256 569573897 /nfs/dbraw/zinc/57/38/97/569573897.db2.gz QCELYOSLZFKPAR-AWEZNQCLSA-N 0 0 448.013 4.510 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)N1CCc2ccccc2C1 ZINC000009953264 569574698 /nfs/dbraw/zinc/57/46/98/569574698.db2.gz BQKHXKOLCTYNSG-CABCVRRESA-N 0 0 439.606 4.988 50 0 IJAARN COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000009958919 569574959 /nfs/dbraw/zinc/57/49/59/569574959.db2.gz JYWLJASGTCEPDT-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN Cc1cccn2cc(CSc3nc4cc(Cl)ccc4c(=O)n3Cc3ccco3)nc12 ZINC000009963766 569575845 /nfs/dbraw/zinc/57/58/45/569575845.db2.gz UZYXHSPWKOEDHD-UHFFFAOYSA-N 0 0 436.924 4.940 50 0 IJAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 ZINC000009972006 569576306 /nfs/dbraw/zinc/57/63/06/569576306.db2.gz MOTHWRBVVZKFFR-UHFFFAOYSA-N 0 0 435.549 4.603 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000009971985 569576339 /nfs/dbraw/zinc/57/63/39/569576339.db2.gz KPFYHQJMDAQRKE-UHFFFAOYSA-N 0 0 428.476 4.542 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000009988686 569576856 /nfs/dbraw/zinc/57/68/56/569576856.db2.gz JTEUAHBFYMLMDN-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN O=C(CNc1ccccc1N1CCCC1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000010037677 569577424 /nfs/dbraw/zinc/57/74/24/569577424.db2.gz LTYTUEKVWVCQKD-RUZDIDTESA-N 0 0 433.939 4.785 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3n2)c1 ZINC000010037202 569577460 /nfs/dbraw/zinc/57/74/60/569577460.db2.gz RBTRXOUBTILXLE-UHFFFAOYSA-N 0 0 431.517 4.702 50 0 IJAARN COc1ccc([C@@H](NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000010128697 569578009 /nfs/dbraw/zinc/57/80/09/569578009.db2.gz DCMKUKOOWBVXTO-GJZUVCINSA-N 0 0 438.568 4.507 50 0 IJAARN O=C(CNc1ccccc1I)N[C@H](c1cccs1)c1ccccc1 ZINC000010179489 569578293 /nfs/dbraw/zinc/57/82/93/569578293.db2.gz DHLAHSVAKOKMSA-IBGZPJMESA-N 0 0 448.329 4.670 50 0 IJAARN COc1cc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c(OC)cc1Cl ZINC000010225435 569579299 /nfs/dbraw/zinc/57/92/99/569579299.db2.gz BSHIBBJBIXNULB-UHFFFAOYSA-N 0 0 427.932 4.657 50 0 IJAARN COc1ccccc1[C@@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1c1nccs1 ZINC000010233041 569579401 /nfs/dbraw/zinc/57/94/01/569579401.db2.gz UIOUWXJJWGYQMA-GOSISDBHSA-N 0 0 438.892 4.970 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000010276366 569580436 /nfs/dbraw/zinc/58/04/36/569580436.db2.gz CJXWLSUELZVYHH-UHFFFAOYSA-N 0 0 438.409 4.971 50 0 IJAARN Cc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@@H](c3cccnc3)C21 ZINC000010337064 569581157 /nfs/dbraw/zinc/58/11/57/569581157.db2.gz NXBCOIGMGUAOHU-VXKWHMMOSA-N 0 0 428.883 4.590 50 0 IJAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)c1 ZINC000010337117 569581209 /nfs/dbraw/zinc/58/12/09/569581209.db2.gz JJBOCXGMUDQVLG-NHCUHLMSSA-N 0 0 449.301 4.935 50 0 IJAARN Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337107 569581233 /nfs/dbraw/zinc/58/12/33/569581233.db2.gz CBRPUTDLGOPJBF-LEWJYISDSA-N 0 0 449.301 4.935 50 0 IJAARN O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)N1CCc2ccccc21 ZINC000010453226 569582296 /nfs/dbraw/zinc/58/22/96/569582296.db2.gz ZHXCKXLTAGWKFK-UHFFFAOYSA-N 0 0 426.339 4.588 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3ccccc3s2)C12CCCCC2 ZINC000020738476 569583857 /nfs/dbraw/zinc/58/38/57/569583857.db2.gz BHVJVYWPLPQDFK-NRFANRHFSA-N 0 0 449.576 4.824 50 0 IJAARN CCOC(=O)c1c(NC(=O)C2CC2)c(-c2ccc(OC)c(OC)c2)cn1Cc1ccccc1 ZINC000023443884 569587263 /nfs/dbraw/zinc/58/72/63/569587263.db2.gz OIZMRBPAMXXCLZ-UHFFFAOYSA-N 0 0 448.519 4.746 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)NC1CCC(C)CC1 ZINC000035480699 569587672 /nfs/dbraw/zinc/58/76/72/569587672.db2.gz ZDWVNVUQICDPHN-PMTKGXAQSA-N 0 0 429.586 4.796 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccnn1C1CCCC1 ZINC000009831900 193899277 /nfs/dbraw/zinc/89/92/77/193899277.db2.gz KDXHHZYGEUYEEO-UHFFFAOYSA-N 0 0 448.552 4.629 50 0 IJAARN CCN(CCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)c1ccccc1 ZINC000009848395 193906631 /nfs/dbraw/zinc/90/66/31/193906631.db2.gz IWUDUPLIIAECKO-HXUWFJFHSA-N 0 0 436.625 4.772 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1 ZINC000009856188 193908794 /nfs/dbraw/zinc/90/87/94/193908794.db2.gz MEIBAWCJWWMJPN-UHFFFAOYSA-N 0 0 448.881 4.972 50 0 IJAARN O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2[nH]1)N1CCOCC1 ZINC000050576774 193922011 /nfs/dbraw/zinc/92/20/11/193922011.db2.gz ITUSDRFGKCHIEH-SDXDJHTJSA-N 0 0 433.895 4.876 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000009466475 132231880 /nfs/dbraw/zinc/23/18/80/132231880.db2.gz SAIONAOLDSXZLX-UHFFFAOYSA-N 0 0 434.546 4.530 50 0 IJAARN Cc1ccc(-c2csc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000009414727 132234342 /nfs/dbraw/zinc/23/43/42/132234342.db2.gz NSZIPSHGCCNBIY-UHFFFAOYSA-N 0 0 427.570 4.699 50 0 IJAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000001144761 132237158 /nfs/dbraw/zinc/23/71/58/132237158.db2.gz SNZXHWRXLLKPRL-UHFFFAOYSA-N 0 0 428.598 4.644 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000001178857 132238653 /nfs/dbraw/zinc/23/86/53/132238653.db2.gz UZZNHVMDQDYEMU-UHFFFAOYSA-N 0 0 444.771 4.610 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000001253909 132240992 /nfs/dbraw/zinc/24/09/92/132240992.db2.gz JGFIRQIMPWWHPJ-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cc(Cl)ccc1Cl ZINC000010186648 132243261 /nfs/dbraw/zinc/24/32/61/132243261.db2.gz LKRNOXMSNCMCLK-UHFFFAOYSA-N 0 0 429.307 4.539 50 0 IJAARN COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1N1CCCCC1=O ZINC000010221006 132243948 /nfs/dbraw/zinc/24/39/48/132243948.db2.gz IPEFBRZUBPTZAE-UHFFFAOYSA-N 0 0 437.721 4.880 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2C)CC1 ZINC000002381074 132253335 /nfs/dbraw/zinc/25/33/35/132253335.db2.gz OWXJPUCQKBWQNP-UHFFFAOYSA-N 0 0 437.927 4.807 50 0 IJAARN O=C(NCc1c(F)cc(F)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000003040649 132260916 /nfs/dbraw/zinc/26/09/16/132260916.db2.gz SCKOIFRYAHNXNW-UHFFFAOYSA-N 0 0 442.462 4.673 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)/C(=C\c2ccccc2F)Oc2ccccc21 ZINC000003585820 132266434 /nfs/dbraw/zinc/26/64/34/132266434.db2.gz XUXQXHTVXOEAGJ-WZGTUUFSSA-N 0 0 444.506 4.730 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1)c1ccccc1 ZINC000006168321 132276312 /nfs/dbraw/zinc/27/63/12/132276312.db2.gz CHRFCBSJTHXXTB-DEOSSOPVSA-N 0 0 428.580 4.527 50 0 IJAARN Cc1cccc(-c2nc(C)c(Cc3ccccc3)c(N3CCN(C(=O)C(C)C)CC3)n2)c1 ZINC000006739868 132278436 /nfs/dbraw/zinc/27/84/36/132278436.db2.gz UHGYCBGGNFORRU-UHFFFAOYSA-N 0 0 428.580 4.656 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2S(=O)(=O)c2ccccc21 ZINC000008583781 132282562 /nfs/dbraw/zinc/28/25/62/132282562.db2.gz ULUNLEUQCSYRKD-UHFFFAOYSA-N 0 0 442.924 4.580 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000008600122 132286129 /nfs/dbraw/zinc/28/61/29/132286129.db2.gz DXNRYLXMZQWJLP-UHFFFAOYSA-N 0 0 442.485 4.744 50 0 IJAARN Cc1nc(-c2ccc(C)c(N3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)c2)no1 ZINC000008600700 132286355 /nfs/dbraw/zinc/28/63/55/132286355.db2.gz AYXNRETYRLIJGK-UHFFFAOYSA-N 0 0 425.920 4.669 50 0 IJAARN O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008602498 132286748 /nfs/dbraw/zinc/28/67/48/132286748.db2.gz AVXTXEJVUMZJFI-UHFFFAOYSA-N 0 0 444.000 4.601 50 0 IJAARN CC(C)Cn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008685118 132290182 /nfs/dbraw/zinc/29/01/82/132290182.db2.gz NNRMNROCGLUOBU-SFHVURJKSA-N 0 0 438.597 4.648 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000008685396 132290227 /nfs/dbraw/zinc/29/02/27/132290227.db2.gz RUWWJUPJFHLVBO-XMMPIXPASA-N 0 0 447.966 4.550 50 0 IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccccc5)CC4)c(C)c3cc2c1C ZINC000008791665 132294494 /nfs/dbraw/zinc/29/44/94/132294494.db2.gz LZSSTTOMFRSHBW-UHFFFAOYSA-N 0 0 444.531 4.746 50 0 biogenic IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000008832505 132295398 /nfs/dbraw/zinc/29/53/98/132295398.db2.gz PIPMNHFEDLPEMV-UHFFFAOYSA-N 0 0 443.547 4.577 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccccc1F ZINC000009096374 132302852 /nfs/dbraw/zinc/30/28/52/132302852.db2.gz UWYJINOHUMOYPC-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN O=C([C@@H]1CN(c2nc(C(F)(F)F)nc3ccccc32)c2ccccc2O1)N1CCCCC1 ZINC000009209278 132308800 /nfs/dbraw/zinc/30/88/00/132308800.db2.gz OSNXFMMCNVAFRU-IBGZPJMESA-N 0 0 442.441 4.560 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000009224308 132309783 /nfs/dbraw/zinc/30/97/83/132309783.db2.gz DKNWICRUFSVERM-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN Cc1ccccc1CNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000009250379 132310772 /nfs/dbraw/zinc/31/07/72/132310772.db2.gz UBSVHDNOJBPCGA-UHFFFAOYSA-N 0 0 434.561 4.611 50 0 IJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000009282594 132312321 /nfs/dbraw/zinc/31/23/21/132312321.db2.gz CTGGIQYCHKSUKU-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H]3CCCc4ccccc43)CC1)C[C@H](C)O2 ZINC000009405920 132315278 /nfs/dbraw/zinc/31/52/78/132315278.db2.gz FWKSKXGHNWLEDI-CVDCTZTESA-N 0 0 447.579 4.608 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3nnc(Cc4ccc(Cl)cc4Cl)o3)CC2)c1 ZINC000009561221 132321474 /nfs/dbraw/zinc/32/14/74/132321474.db2.gz DBBPZETUUOHKLW-UHFFFAOYSA-N 0 0 445.350 4.546 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccc(N4CCOc5ccccc54)s3)CC2)c1C ZINC000009686882 132325965 /nfs/dbraw/zinc/32/59/65/132325965.db2.gz GOSOZMUWQIHEIZ-UHFFFAOYSA-N 0 0 433.577 4.858 50 0 IJAARN C[C@@H](C(=O)NCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000009692771 132325976 /nfs/dbraw/zinc/32/59/76/132325976.db2.gz JOHMLDXGBGITOV-UZUQRXQVSA-N 0 0 434.536 4.786 50 0 IJAARN CCOc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708839 132326655 /nfs/dbraw/zinc/32/66/55/132326655.db2.gz QBOOTIOOYYZNRE-UHFFFAOYSA-N 0 0 440.935 4.556 50 0 IJAARN Cc1cc(C)cc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)c1 ZINC000009708835 132326694 /nfs/dbraw/zinc/32/66/94/132326694.db2.gz UKTJDCMAPRYKHF-UHFFFAOYSA-N 0 0 444.461 4.831 50 0 IJAARN CCCOC(=O)c1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1N1CCOCC1 ZINC000009933574 132331910 /nfs/dbraw/zinc/33/19/10/132331910.db2.gz UMCJWJRXPOXVPQ-KPKJPENVSA-N 0 0 436.552 4.865 50 0 IJAARN O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 ZINC000011025661 132337135 /nfs/dbraw/zinc/33/71/35/132337135.db2.gz IBGZFAXHCKLGMQ-UHFFFAOYSA-N 0 0 440.952 4.875 50 0 IJAARN Cc1cc(N2CCN(C(=O)c3ccccc3OCc3ccc(F)cc3)CC2)nc(C(C)C)n1 ZINC000011077306 132337183 /nfs/dbraw/zinc/33/71/83/132337183.db2.gz BAZCMHINILYIAB-UHFFFAOYSA-N 0 0 448.542 4.589 50 0 IJAARN CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000011566010 132338090 /nfs/dbraw/zinc/33/80/90/132338090.db2.gz NPIWGEABGJXICT-UHFFFAOYSA-N 0 0 430.614 4.808 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3OC)[C@@H]2c2ccccc2)cc1 ZINC000013112376 132344816 /nfs/dbraw/zinc/34/48/16/132344816.db2.gz ZHWZUBSGKQAYHW-OZXSUGGESA-N 0 0 444.531 4.505 50 0 IJAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000013117231 132345073 /nfs/dbraw/zinc/34/50/73/132345073.db2.gz VYBOQONDBOGEES-UHFFFAOYSA-N 0 0 442.563 4.658 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000013584051 132351136 /nfs/dbraw/zinc/35/11/36/132351136.db2.gz LWSOWBALSZNRTB-UHFFFAOYSA-N 0 0 446.878 4.713 50 0 IJAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000013947459 132355671 /nfs/dbraw/zinc/35/56/71/132355671.db2.gz FRXZAQMVOXSNBB-UHFFFAOYSA-N 0 0 449.787 4.556 50 0 IJAARN CC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000012383365 518206957 /nfs/dbraw/zinc/20/69/57/518206957.db2.gz CMORVICBSKYKGU-YZOQQBSESA-N 0 0 435.701 4.829 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1 ZINC000012577500 518409246 /nfs/dbraw/zinc/40/92/46/518409246.db2.gz KXJFKEGXIYJMQP-MRXNPFEDSA-N 0 0 433.533 4.576 50 0 IJAARN CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000001409922 518535826 /nfs/dbraw/zinc/53/58/26/518535826.db2.gz RGRIZXDWODVABR-UHFFFAOYSA-N 0 0 448.494 4.543 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCSc2ccccc21 ZINC000012925674 518555628 /nfs/dbraw/zinc/55/56/28/518555628.db2.gz PYZFMFQRICEEOS-UHFFFAOYSA-N 0 0 443.590 4.690 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1ccc(C)c(C)c1 ZINC000012678605 519479056 /nfs/dbraw/zinc/47/90/56/519479056.db2.gz MLEABIRTRGKQPS-UHFFFAOYSA-N 0 0 428.587 4.838 50 0 IJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)c1 ZINC000035947443 519522132 /nfs/dbraw/zinc/52/21/32/519522132.db2.gz DUNORNMGRUDYOX-UHFFFAOYSA-N 0 0 442.579 4.997 50 0 IJAARN CC(=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000022645563 519587052 /nfs/dbraw/zinc/58/70/52/519587052.db2.gz ZBGZMSWKCOUZBH-OAQYLSRUSA-N 0 0 440.893 4.781 50 0 IJAARN CC(=O)N1N=C(c2cccc(C)n2)O[C@@H]1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000021092634 519638296 /nfs/dbraw/zinc/63/82/96/519638296.db2.gz VMNCTXXKXTXHKQ-HSZRJFAPSA-N 0 0 434.883 4.535 50 0 IJAARN CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1COc1ccc(Cl)cc1Cl ZINC000021092268 519638539 /nfs/dbraw/zinc/63/85/39/519638539.db2.gz OVDPNURJMGLPTG-MRXNPFEDSA-N 0 0 444.112 4.701 50 0 IJAARN CC(C)CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000012868006 519647215 /nfs/dbraw/zinc/64/72/15/519647215.db2.gz LVZNFDFZAWKPME-FXAWDEMLSA-N 0 0 448.608 4.686 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 ZINC000032977874 519661313 /nfs/dbraw/zinc/66/13/13/519661313.db2.gz MQXIZNQEVRDZJM-MHZLTWQESA-N 0 0 431.580 4.720 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000021858328 519661476 /nfs/dbraw/zinc/66/14/76/519661476.db2.gz MSDDPYIJOZIHPI-VWLOTQADSA-N 0 0 437.971 4.872 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1CCCc1ccccc1 ZINC000021864681 519661533 /nfs/dbraw/zinc/66/15/33/519661533.db2.gz DUHAVTDPLTZBAH-MHZLTWQESA-N 0 0 447.579 4.758 50 0 IJAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012654566 519663619 /nfs/dbraw/zinc/66/36/19/519663619.db2.gz KERANGYEMUTYNO-UHFFFAOYSA-N 0 0 426.325 4.643 50 0 IJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000033037068 519701665 /nfs/dbraw/zinc/70/16/65/519701665.db2.gz LXNIXSJEXOQXDF-UHFFFAOYSA-N 0 0 425.492 4.762 50 0 IJAARN CC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccco1 ZINC000036045983 519709927 /nfs/dbraw/zinc/70/99/27/519709927.db2.gz PINNQZLXKVNNOD-UHFFFAOYSA-N 0 0 442.519 4.869 50 0 IJAARN CC(C)OCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735229 519764353 /nfs/dbraw/zinc/76/43/53/519764353.db2.gz BEDMKNGFKYVCBV-DEDYPNTBSA-N 0 0 430.957 4.970 50 0 IJAARN CC(C)S(=O)(=O)c1ncc(CN(C)[C@@H](C)c2cccs2)n1Cc1ccccc1F ZINC000012434385 519787292 /nfs/dbraw/zinc/78/72/92/519787292.db2.gz URWRHWFBQVCEKD-INIZCTEOSA-N 0 0 435.590 4.507 50 0 IJAARN CC(C)[C@@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000390832750 519801191 /nfs/dbraw/zinc/80/11/91/519801191.db2.gz YJLIOOYMVZHWAN-XZOQPEGZSA-N 0 0 448.494 4.503 50 0 IJAARN CCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3 ZINC000002652907 519881681 /nfs/dbraw/zinc/88/16/81/519881681.db2.gz LALLJOOHURTSMK-UHFFFAOYSA-N 0 0 441.622 4.561 50 0 IJAARN CCCNC(=O)N(Cc1cc(-c2cc(OC)ccc2OC)on1)Cc1ccc(F)cc1 ZINC000036012743 519883412 /nfs/dbraw/zinc/88/34/12/519883412.db2.gz RRECBLPUKHYMDD-UHFFFAOYSA-N 0 0 427.476 4.620 50 0 IJAARN CCOCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O ZINC000012904952 519901193 /nfs/dbraw/zinc/90/11/93/519901193.db2.gz FTKOTPJNVWOMRC-AWEZNQCLSA-N 0 0 436.603 4.861 50 0 IJAARN CCCNC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C ZINC000012855955 519905874 /nfs/dbraw/zinc/90/58/74/519905874.db2.gz IWOMYQXNDNOYEY-UHFFFAOYSA-N 0 0 430.430 4.592 50 0 IJAARN CCCCC(=O)N1CCCN(c2nc([C@@H](C)CCC)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925891 519907034 /nfs/dbraw/zinc/90/70/34/519907034.db2.gz ONBBWROPEHQHQC-FQEVSTJZSA-N 0 0 448.615 4.948 50 0 IJAARN CCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1cccc2ccccc21 ZINC000016050387 519917082 /nfs/dbraw/zinc/91/70/82/519917082.db2.gz NPKSKFOZCNFTNW-UHFFFAOYSA-N 0 0 426.310 4.741 50 0 IJAARN CCOCCn1cc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000023335604 520072081 /nfs/dbraw/zinc/07/20/81/520072081.db2.gz DGEKKMLEUMZOSI-UHFFFAOYSA-N 0 0 447.000 4.900 50 0 IJAARN CCCNc1nnc(SCc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)s1 ZINC000012818931 520200637 /nfs/dbraw/zinc/20/06/37/520200637.db2.gz SVRZADFCQKUGMU-UHFFFAOYSA-N 0 0 435.625 4.987 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000015000900 520368480 /nfs/dbraw/zinc/36/84/80/520368480.db2.gz GOTRHZMUZIYVQV-UHFFFAOYSA-N 0 0 444.453 4.970 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014974686 520458299 /nfs/dbraw/zinc/45/82/99/520458299.db2.gz NGVLSBHRLVHCMB-UHFFFAOYSA-N 0 0 438.524 4.615 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1cccc(NC(=O)C2CCCCC2)c1 ZINC000016613724 520481338 /nfs/dbraw/zinc/48/13/38/520481338.db2.gz NVGGXYGHSBAMSF-NRFANRHFSA-N 0 0 441.597 4.892 50 0 IJAARN CCCCN(CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)C(=O)c1ccccc1F ZINC000035700999 520485831 /nfs/dbraw/zinc/48/58/31/520485831.db2.gz BOHKWMNUWNJJQX-UHFFFAOYSA-N 0 0 440.544 4.924 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(OCC)cc2)C=C(C(=O)OCC)C1c1cccs1 ZINC000001107193 520543611 /nfs/dbraw/zinc/54/36/11/520543611.db2.gz ZZYRDOTZUCMMPG-UHFFFAOYSA-N 0 0 427.522 4.645 50 0 IJAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021725973 520610039 /nfs/dbraw/zinc/61/00/39/520610039.db2.gz XCXUBNOZEOWIIW-HNNXBMFYSA-N 0 0 434.521 4.672 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000002979412 520623199 /nfs/dbraw/zinc/62/31/99/520623199.db2.gz FSBGUGTZOVKDJR-RCCKNPSSSA-N 0 0 427.456 4.957 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000015800476 520633054 /nfs/dbraw/zinc/63/30/54/520633054.db2.gz LONDKDNJXWGQQD-UNOMPAQXSA-N 0 0 446.956 4.952 50 0 IJAARN CCCCNC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)CC(C)C ZINC000035214740 520633142 /nfs/dbraw/zinc/63/31/42/520633142.db2.gz NLZHJCGBVKYRBP-UHFFFAOYSA-N 0 0 436.549 4.561 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1O[C@H](C)c1ccccc1 ZINC000015769713 520649117 /nfs/dbraw/zinc/64/91/17/520649117.db2.gz SOVJBVYYVHADQB-GIKSKMNSSA-N 0 0 442.540 4.996 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(=O)OC)cc1)N(c1ccccc1)C(=O)C2 ZINC000021169033 520800074 /nfs/dbraw/zinc/80/00/74/520800074.db2.gz HZACTADGRQNYQF-SANMLTNESA-N 0 0 445.515 4.949 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3C)c(C)o2)cc1 ZINC000012414684 520819409 /nfs/dbraw/zinc/81/94/09/520819409.db2.gz NCFTVOLDSUDGSO-UHFFFAOYSA-N 0 0 431.496 4.558 50 0 IJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)cc1 ZINC000012464653 520839431 /nfs/dbraw/zinc/83/94/31/520839431.db2.gz VJCFDMTWCWCDGJ-VGOFMYFVSA-N 0 0 428.492 4.788 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nsc(Nc4ccc(OC)c(Cl)c4)n3)c2C)cc1 ZINC000033302121 520840453 /nfs/dbraw/zinc/84/04/53/520840453.db2.gz ZZOFWSQYHSSZRR-UHFFFAOYSA-N 0 0 442.932 4.899 50 0 IJAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C)c1Cl)c1ccc(C)cc1 ZINC000012413176 520889079 /nfs/dbraw/zinc/88/90/79/520889079.db2.gz IPXPWJNHUDYXGN-INIZCTEOSA-N 0 0 430.353 4.583 50 0 IJAARN CCOc1ccc(CCNc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1OCC ZINC000021894540 520956372 /nfs/dbraw/zinc/95/63/72/520956372.db2.gz AGZSUSBRXRGUJU-UHFFFAOYSA-N 0 0 427.932 4.646 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997646 520980710 /nfs/dbraw/zinc/98/07/10/520980710.db2.gz UYUNHINIAGYGEE-JOCHJYFZSA-N 0 0 435.553 4.887 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000009631131 521040480 /nfs/dbraw/zinc/04/04/80/521040480.db2.gz SKFMAMBEICAGCH-JLPGSUDCSA-N 0 0 441.487 4.684 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000021105436 521041523 /nfs/dbraw/zinc/04/15/23/521041523.db2.gz CDFFYKHHGYGVDE-QFIPXVFZSA-N 0 0 439.899 4.922 50 0 IJAARN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000001063301 521044216 /nfs/dbraw/zinc/04/42/16/521044216.db2.gz INRAVQMIJIQHNX-UHFFFAOYSA-N 0 0 432.387 4.812 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)Cc1ccco1 ZINC000036049493 521087231 /nfs/dbraw/zinc/08/72/31/521087231.db2.gz QMZCXYJUOMHPAI-UHFFFAOYSA-N 0 0 442.519 4.818 50 0 IJAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000035980535 521088447 /nfs/dbraw/zinc/08/84/47/521088447.db2.gz KBJNQIQWXIOLHY-FQEVSTJZSA-N 0 0 449.551 4.806 50 0 IJAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000035980618 521089735 /nfs/dbraw/zinc/08/97/35/521089735.db2.gz NAWLLOCTQRGAHX-JOCHJYFZSA-N 0 0 449.551 4.806 50 0 IJAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)s1)C1CC1 ZINC000012782897 521090890 /nfs/dbraw/zinc/09/08/90/521090890.db2.gz IPGYSSDYVYXERL-SNVBAGLBSA-N 0 0 444.504 4.582 50 0 IJAARN CCOc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088574 521120970 /nfs/dbraw/zinc/12/09/70/521120970.db2.gz HLOHNOQEFZMVDL-UHFFFAOYSA-N 0 0 433.415 4.523 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000035684043 521166040 /nfs/dbraw/zinc/16/60/40/521166040.db2.gz AUNAENDQDHCUJT-HSZRJFAPSA-N 0 0 433.533 4.575 50 0 IJAARN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCc2scnc2C)C1 ZINC000012386611 521178025 /nfs/dbraw/zinc/17/80/25/521178025.db2.gz SOGSHBPGQOUKOU-IWXKUNQBSA-N 0 0 426.582 4.660 50 0 IJAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000015074058 521181439 /nfs/dbraw/zinc/18/14/39/521181439.db2.gz SGYBWORHYDSBEG-JOCHJYFZSA-N 0 0 438.421 4.663 50 0 IJAARN CCC(=O)Nc1ccc2c(cc(C(=O)NCCc3ccccn3)n2Cc2cccc(F)c2)c1 ZINC000036000160 521220111 /nfs/dbraw/zinc/22/01/11/521220111.db2.gz XPMMWEUZGOGSPB-UHFFFAOYSA-N 0 0 444.510 4.545 50 0 IJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)cc1OC ZINC000021525003 521247678 /nfs/dbraw/zinc/24/76/78/521247678.db2.gz WATSACAWXXQEAH-QHCPKHFHSA-N 0 0 437.565 4.925 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O ZINC000021936132 521253572 /nfs/dbraw/zinc/25/35/72/521253572.db2.gz PIARNOIHFZJCTC-UXHICEINSA-N 0 0 434.565 4.904 50 0 IJAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1cc(OC)c(O)c(OC)c1)CC3=O ZINC000012296956 521260616 /nfs/dbraw/zinc/26/06/16/521260616.db2.gz PFAIBQUINDLQBE-QGZVFWFLSA-N 0 0 438.476 4.873 50 0 biogenic IJAARN CCCCc1ccc(-n2nnnc2SCc2cn3cc(Br)ccc3n2)cc1 ZINC000012624063 521267161 /nfs/dbraw/zinc/26/71/61/521267161.db2.gz PSOCGLIGOFPAKK-UHFFFAOYSA-N 0 0 443.374 4.707 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN(c3cc(C)nc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000035890291 521270318 /nfs/dbraw/zinc/27/03/18/521270318.db2.gz GRNWYTYNSHUPQL-UHFFFAOYSA-N 0 0 432.543 4.896 50 0 IJAARN CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)cnc3ccc(C)cc32)C1 ZINC000021158440 521303115 /nfs/dbraw/zinc/30/31/15/521303115.db2.gz ZKXMYMLHTAFDLN-FQEVSTJZSA-N 0 0 446.547 4.952 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CCCC3 ZINC000035865017 521313197 /nfs/dbraw/zinc/31/31/97/521313197.db2.gz CXJIKFYZTQJDBG-UHFFFAOYSA-N 0 0 426.630 4.752 50 0 IJAARN CCOc1cccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000035527327 521333917 /nfs/dbraw/zinc/33/39/17/521333917.db2.gz NPRTVZFBDXTXDI-NDEPHWFRSA-N 0 0 442.559 4.667 50 0 IJAARN CCCCn1c2nc(-c3cccc(Cl)c3Cl)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000012546562 521374488 /nfs/dbraw/zinc/37/44/88/521374488.db2.gz VLEZLVFXHKLGNB-UHFFFAOYSA-N 0 0 443.334 4.709 50 0 IJAARN CCCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1 ZINC000001073439 521386431 /nfs/dbraw/zinc/38/64/31/521386431.db2.gz MYNYFZLSRVGMGH-UHFFFAOYSA-N 0 0 437.547 4.607 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000021176523 521389773 /nfs/dbraw/zinc/38/97/73/521389773.db2.gz OUVMOXSKECFZEY-UHFFFAOYSA-N 0 0 428.535 4.741 50 0 IJAARN CCCc1nc(-n2cccc2)sc1C(=O)NCc1cc(Br)ccc1OC ZINC000020946496 521465493 /nfs/dbraw/zinc/46/54/93/521465493.db2.gz LKKNUPBGEPEHPE-UHFFFAOYSA-N 0 0 434.359 4.587 50 0 IJAARN CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000020903080 521481641 /nfs/dbraw/zinc/48/16/41/521481641.db2.gz DLACVRZDICVYBD-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3scc(-c4ccc(Cl)cc4)c3S2(=O)=O)cc1 ZINC000021729769 521484855 /nfs/dbraw/zinc/48/48/55/521484855.db2.gz HAVBPHYDFNJLNM-UHFFFAOYSA-N 0 0 447.921 4.594 50 0 IJAARN CCOc1ccccc1CNC(=O)CCCN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000015680071 521489209 /nfs/dbraw/zinc/48/92/09/521489209.db2.gz MQJOGTYVZLYMNZ-UHFFFAOYSA-N 0 0 445.519 4.638 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267867 521506998 /nfs/dbraw/zinc/50/69/98/521506998.db2.gz BBFCGKPQVKCFJC-QFIPXVFZSA-N 0 0 442.519 4.704 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000021037289 521507556 /nfs/dbraw/zinc/50/75/56/521507556.db2.gz QAROYZKRLFFKLQ-NRFANRHFSA-N 0 0 442.475 4.824 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)C[C@@H]1COc2ccccc2O1 ZINC000012796935 521544012 /nfs/dbraw/zinc/54/40/12/521544012.db2.gz RTBCDLOXEBUOGT-CJFMBICVSA-N 0 0 432.520 4.537 50 0 IJAARN CCCc1nc2cccnc2n1C1CCN(C(=O)c2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000012242457 521544214 /nfs/dbraw/zinc/54/42/14/521544214.db2.gz JZQOHJXITCQLGT-UHFFFAOYSA-N 0 0 442.567 4.664 50 0 IJAARN CCCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000012790512 521551981 /nfs/dbraw/zinc/55/19/81/521551981.db2.gz FEJVBPSYCOIODV-UHFFFAOYSA-N 0 0 446.507 4.759 50 0 IJAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1 ZINC000012609484 521555010 /nfs/dbraw/zinc/55/50/10/521555010.db2.gz WOUOEOMPRHBFSM-AWEZNQCLSA-N 0 0 443.598 4.866 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000020445734 521573011 /nfs/dbraw/zinc/57/30/11/521573011.db2.gz WTTXUVXPLKQBMQ-OALUTQOASA-N 0 0 445.951 4.729 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000021597489 521639215 /nfs/dbraw/zinc/63/92/15/521639215.db2.gz MINNFRKIRATCMZ-SFHVURJKSA-N 0 0 444.988 4.590 50 0 IJAARN CCCn1c2nnc(SCc3ccc(Br)cc3)n2c2ccsc2c1=O ZINC000035529165 521642112 /nfs/dbraw/zinc/64/21/12/521642112.db2.gz ONNBBTVDDUGPIW-UHFFFAOYSA-N 0 0 435.372 4.571 50 0 IJAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035978194 521739550 /nfs/dbraw/zinc/73/95/50/521739550.db2.gz VNFRPYPHDGOXDA-QFIPXVFZSA-N 0 0 448.567 4.938 50 0 IJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000035973148 521739564 /nfs/dbraw/zinc/73/95/64/521739564.db2.gz VOCPURNWJWLUEL-UHFFFAOYSA-N 0 0 434.540 4.923 50 0 IJAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(CCC(C)C)C(=O)c2ccccc2Cl)c(C)n1C ZINC000036018359 521753744 /nfs/dbraw/zinc/75/37/44/521753744.db2.gz YWWQIGJNBTZFEX-KRWDZBQOSA-N 0 0 446.975 4.842 50 0 IJAARN CCSc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012314914 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50 0 IJAARN CC[C@H](C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012919869 522043278 /nfs/dbraw/zinc/04/32/78/522043278.db2.gz YSQJFUPJZAKABA-SFHVURJKSA-N 0 0 440.609 4.728 50 0 IJAARN CN(C)[C@H](CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 ZINC000022381550 522071725 /nfs/dbraw/zinc/07/17/25/522071725.db2.gz QNSAXLFDWOWIKI-OAQYLSRUSA-N 0 0 429.520 4.953 50 0 IJAARN COc1cc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)ccc1OC(F)F ZINC000022915469 522164265 /nfs/dbraw/zinc/16/42/65/522164265.db2.gz AKLHDLQIOAMPGJ-UHFFFAOYSA-N 0 0 448.447 4.633 50 0 IJAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036017798 522200034 /nfs/dbraw/zinc/20/00/34/522200034.db2.gz UOSQQGJMLHBBSB-OGMLQXTBSA-N 0 0 427.372 4.656 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)cc1 ZINC000035928519 522219803 /nfs/dbraw/zinc/21/98/03/522219803.db2.gz WWIJQFAWLIYFOE-XMMPIXPASA-N 0 0 435.524 4.923 50 0 IJAARN COC(=O)c1cccc(NC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1 ZINC000013347831 522233005 /nfs/dbraw/zinc/23/30/05/522233005.db2.gz RTFMKARMSIIRBC-UHFFFAOYSA-N 0 0 428.492 4.789 50 0 IJAARN CN(C)c1cccc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000012608601 522255392 /nfs/dbraw/zinc/25/53/92/522255392.db2.gz ZXXYNNXUMXIGSZ-QGZVFWFLSA-N 0 0 449.363 4.715 50 0 IJAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1Cl ZINC000020719567 522276554 /nfs/dbraw/zinc/27/65/54/522276554.db2.gz BJIHKOOOSACTBT-LJQANCHMSA-N 0 0 445.306 4.683 50 0 IJAARN COc1cc(CN(C(=O)c2cnc3onc(C(C)C)c3c2)C2CC2)ccc1OC(F)F ZINC000022877397 522341178 /nfs/dbraw/zinc/34/11/78/522341178.db2.gz IUVFDMWLUNVOCL-UHFFFAOYSA-N 0 0 431.439 4.761 50 0 IJAARN COc1cc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)ccn1 ZINC000012557533 522437362 /nfs/dbraw/zinc/43/73/62/522437362.db2.gz DYOYYSXSODADKX-UHFFFAOYSA-N 0 0 432.911 4.585 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035865599 522440498 /nfs/dbraw/zinc/44/04/98/522440498.db2.gz 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COc1cc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccccc1F ZINC000012419600 522925709 /nfs/dbraw/zinc/92/57/09/522925709.db2.gz SWQRRTWIACOENI-SFHVURJKSA-N 0 0 445.446 4.696 50 0 IJAARN COc1cc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000012344942 522938692 /nfs/dbraw/zinc/93/86/92/522938692.db2.gz YOIMKBSPZFRUFP-HSZRJFAPSA-N 0 0 435.524 4.768 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000036043032 523038276 /nfs/dbraw/zinc/03/82/76/523038276.db2.gz AZVFSRPVAAXRCW-HFJWLAOPSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(O)cc1)N(Cc1nc(-c3ccccc3)no1)CC2 ZINC000020653668 523040706 /nfs/dbraw/zinc/04/07/06/523040706.db2.gz FCDAYFFDGNWPQH-RUZDIDTESA-N 0 0 443.503 4.607 50 0 IJAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000024662704 523082899 /nfs/dbraw/zinc/08/28/99/523082899.db2.gz KYKMDDYWAUXCGB-OAHLLOKOSA-N 0 0 447.318 4.879 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3N3CCOCC3)c3ccccc3n2)cc1 ZINC000012681086 523099994 /nfs/dbraw/zinc/09/99/94/523099994.db2.gz RVAVDWQNFXTZHA-UHFFFAOYSA-N 0 0 439.515 4.999 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc3n2)cc1 ZINC000016050417 523102939 /nfs/dbraw/zinc/10/29/39/523102939.db2.gz FXFXUZOZQQZUQO-QZTJIDSGSA-N 0 0 432.520 4.857 50 0 IJAARN COc1ccc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000036012661 523109018 /nfs/dbraw/zinc/10/90/18/523109018.db2.gz NCIMRLUXVGLRMJ-NRFANRHFSA-N 0 0 426.900 4.825 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000033269030 523155449 /nfs/dbraw/zinc/15/54/49/523155449.db2.gz UPSPLBZHARXZHU-KRWDZBQOSA-N 0 0 432.549 4.683 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000012742908 523177089 /nfs/dbraw/zinc/17/70/89/523177089.db2.gz UMZMGFOBNUDSML-UHFFFAOYSA-N 0 0 437.352 4.630 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000012612303 523188658 /nfs/dbraw/zinc/18/86/58/523188658.db2.gz HYSVWBCNMZZPGK-SFHVURJKSA-N 0 0 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ZINC000035684882 523249910 /nfs/dbraw/zinc/24/99/10/523249910.db2.gz INDPQDWZAOOOHN-KRWDZBQOSA-N 0 0 428.851 4.831 50 0 IJAARN COc1ccc(-n2c(=O)c3c(nc2SCc2ccc(Cl)cc2)CCS3)cc1OC ZINC000012140698 523309261 /nfs/dbraw/zinc/30/92/61/523309261.db2.gz BQVDVKJABQBUDM-UHFFFAOYSA-N 0 0 446.981 4.844 50 0 IJAARN COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCN(C)C4)cc1 ZINC000020444178 523321443 /nfs/dbraw/zinc/32/14/43/523321443.db2.gz CTGDPVJLAVDJMW-UHFFFAOYSA-N 0 0 429.611 4.582 50 0 IJAARN CC[C@@H]1CCc2sc(C(=O)OCc3nnc(C(=O)Nc4ccccc4)s3)cc2C1 ZINC000012796609 523373405 /nfs/dbraw/zinc/37/34/05/523373405.db2.gz LIDDQSKGEVPSLP-CYBMUJFWSA-N 0 0 427.551 4.724 50 0 IJAARN CC[C@](O)(c1ccc(Br)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868672 523531412 /nfs/dbraw/zinc/53/14/12/523531412.db2.gz ISPPOPNUNDOMIR-SFTDATJTSA-N 0 0 438.793 4.816 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)CCc3ncc(-c4ccccc4F)o3)CC2)cc1 ZINC000012744887 523572110 /nfs/dbraw/zinc/57/21/10/523572110.db2.gz LMIUVYZVZNONHX-UHFFFAOYSA-N 0 0 436.483 4.543 50 0 IJAARN COc1ccc(C(=O)CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC ZINC000012753833 523578438 /nfs/dbraw/zinc/57/84/38/523578438.db2.gz HXTCWSALTFHPHH-HSZRJFAPSA-N 0 0 441.574 4.964 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)NC(C)C ZINC000035980878 523735755 /nfs/dbraw/zinc/73/57/55/523735755.db2.gz CGUOOIIFGCAOJF-UHFFFAOYSA-N 0 0 436.556 4.754 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)c(OC)c1 ZINC000012441994 523742811 /nfs/dbraw/zinc/74/28/11/523742811.db2.gz MXQASSHTAQIPCK-UHFFFAOYSA-N 0 0 438.484 4.713 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc3sc4c(c32)CCCC4)CC1)c1ccccc1 ZINC000035888242 523762569 /nfs/dbraw/zinc/76/25/69/523762569.db2.gz FNKXMZUSBLAABD-IBGZPJMESA-N 0 0 434.609 4.721 50 0 IJAARN COCCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1 ZINC000035979783 523779163 /nfs/dbraw/zinc/77/91/63/523779163.db2.gz UWXWXYQYAAWWCP-UHFFFAOYSA-N 0 0 436.314 4.666 50 0 IJAARN COCCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C)cc1 ZINC000035979619 523779476 /nfs/dbraw/zinc/77/94/76/523779476.db2.gz PSRDLUNPCOTBDA-UHFFFAOYSA-N 0 0 432.351 4.835 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021158546 523781403 /nfs/dbraw/zinc/78/14/03/523781403.db2.gz LLAQCWCVBOHLGE-UHFFFAOYSA-N 0 0 439.439 4.585 50 0 IJAARN CN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)c1ccc(F)cc1 ZINC000012414102 523841511 /nfs/dbraw/zinc/84/15/11/523841511.db2.gz IIMCABXKICJFPE-UHFFFAOYSA-N 0 0 443.507 4.839 50 0 IJAARN CN(C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C)C1CCCCC1 ZINC000012600206 523841702 /nfs/dbraw/zinc/84/17/02/523841702.db2.gz GEHHGUKBNDZKOG-UHFFFAOYSA-N 0 0 447.655 4.600 50 0 IJAARN CCc1cc2oc(=O)cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl ZINC000022917351 523851513 /nfs/dbraw/zinc/85/15/13/523851513.db2.gz PTHBERWQEZZXJH-UHFFFAOYSA-N 0 0 431.363 4.980 50 0 IJAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)s2)cc1 ZINC000012627384 523858830 /nfs/dbraw/zinc/85/88/30/523858830.db2.gz VXKWISRXIVKNLM-UHFFFAOYSA-N 0 0 430.533 4.898 50 0 IJAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)C(C)C)cc1 ZINC000035765840 523889212 /nfs/dbraw/zinc/88/92/12/523889212.db2.gz UPRAVERGIQMABP-UHFFFAOYSA-N 0 0 448.563 4.605 50 0 IJAARN COc1ccc(CC(=O)N(CC(=O)N(Cc2ccco2)Cc2ccccc2)CC(C)C)cc1 ZINC000035767471 523889494 /nfs/dbraw/zinc/88/94/94/523889494.db2.gz HKXBFNPQHMYIQH-UHFFFAOYSA-N 0 0 448.563 4.544 50 0 IJAARN COc1ccc(CC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1OC ZINC000012759263 523901024 /nfs/dbraw/zinc/90/10/24/523901024.db2.gz SBVZYYZZBPQGFO-MSQOXCFKSA-N 0 0 443.543 4.668 50 0 IJAARN CCc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858772 523924409 /nfs/dbraw/zinc/92/44/09/523924409.db2.gz ZBWSSBOHSXEJKU-HHHXNRCGSA-N 0 0 431.580 4.781 50 0 IJAARN CO[C@H](c1ccc2c(c1)CN(C(=O)c1scc3c1OCCO3)CCO2)C1CCCCC1 ZINC000012332838 523957079 /nfs/dbraw/zinc/95/70/79/523957079.db2.gz PACQQXZIGYUOIS-NRFANRHFSA-N 0 0 443.565 4.822 50 0 IJAARN CCc1ccc(N(C(C)=O)c2nc(CN3CCN(Cc4cccs4)CC3)cs2)cc1 ZINC000022914233 523957193 /nfs/dbraw/zinc/95/71/93/523957193.db2.gz GLJKGWZSJFISIT-UHFFFAOYSA-N 0 0 440.638 4.769 50 0 IJAARN COc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1OC ZINC000021656518 523961529 /nfs/dbraw/zinc/96/15/29/523961529.db2.gz DXZVGOSHNJMJOW-UHFFFAOYSA-N 0 0 447.560 4.655 50 0 IJAARN CCc1ccc(N2C(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000021658299 523963330 /nfs/dbraw/zinc/96/33/30/523963330.db2.gz ICJRHCRJAMYUAZ-UHFFFAOYSA-N 0 0 440.496 4.732 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000021811208 523963637 /nfs/dbraw/zinc/96/36/37/523963637.db2.gz BOCKYKUTXITFPY-ZZTRNUCDSA-N 0 0 433.552 4.911 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)cc1OC ZINC000012513631 523967965 /nfs/dbraw/zinc/96/79/65/523967965.db2.gz CASXFQWVWAUGKD-UHFFFAOYSA-N 0 0 447.922 4.940 50 0 IJAARN COCCOC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(C(C)C)cc1 ZINC000012551003 523970469 /nfs/dbraw/zinc/97/04/69/523970469.db2.gz HPUAUIURIPMVEX-QFIPXVFZSA-N 0 0 432.524 4.547 50 0 IJAARN CCc1ccc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cc1 ZINC000032949121 523983429 /nfs/dbraw/zinc/98/34/29/523983429.db2.gz DRVILDFYWXICTH-UHFFFAOYSA-N 0 0 446.503 4.682 50 0 IJAARN COc1ccc(CN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)C2CC2)cc1 ZINC000021840562 523990677 /nfs/dbraw/zinc/99/06/77/523990677.db2.gz UFCVYYCPIXQJSO-UHFFFAOYSA-N 0 0 426.314 4.653 50 0 IJAARN CCc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088379 523992972 /nfs/dbraw/zinc/99/29/72/523992972.db2.gz CDVDDNNPXXYBOB-UHFFFAOYSA-N 0 0 429.377 4.764 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000021107061 524022240 /nfs/dbraw/zinc/02/22/40/524022240.db2.gz MAZIXHVAPHYHFQ-HXUWFJFHSA-N 0 0 429.398 4.756 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000021107066 524022396 /nfs/dbraw/zinc/02/23/96/524022396.db2.gz MAZIXHVAPHYHFQ-FQEVSTJZSA-N 0 0 429.398 4.756 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1C ZINC000036003488 524023115 /nfs/dbraw/zinc/02/31/15/524023115.db2.gz DEAXTIQERLPXPY-HNNXBMFYSA-N 0 0 442.899 4.578 50 0 IJAARN CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000032888483 524024206 /nfs/dbraw/zinc/02/42/06/524024206.db2.gz JFXZBGIYMOGYES-UHFFFAOYSA-N 0 0 431.517 4.683 50 0 IJAARN COc1ccc(CN2c3ccccc3S(=O)(=O)N(c3cc(C)ccc3C)C2=O)cc1F ZINC000021658168 524043700 /nfs/dbraw/zinc/04/37/00/524043700.db2.gz FOBJDKWTDCODGB-UHFFFAOYSA-N 0 0 440.496 4.787 50 0 IJAARN COc1ccc(CNC(=O)Cn2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)cc1 ZINC000020996560 524056019 /nfs/dbraw/zinc/05/60/19/524056019.db2.gz VWLNMMFUIXDEHW-UHFFFAOYSA-N 0 0 440.478 4.716 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000009662775 524090135 /nfs/dbraw/zinc/09/01/35/524090135.db2.gz SJYGPJJAGIJGEW-CQSZACIVSA-N 0 0 445.947 4.671 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000012539682 524090456 /nfs/dbraw/zinc/09/04/56/524090456.db2.gz RUJLDKJSLTXSFM-GOSISDBHSA-N 0 0 438.572 4.820 50 0 IJAARN Cc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc2c1C ZINC000012378194 524101033 /nfs/dbraw/zinc/10/10/33/524101033.db2.gz KQFXMKNLJZYKDJ-AWEZNQCLSA-N 0 0 443.594 4.586 50 0 IJAARN C[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000035454628 524105213 /nfs/dbraw/zinc/10/52/13/524105213.db2.gz AUSDZGFGPMQYSL-LJQANCHMSA-N 0 0 445.563 4.996 50 0 IJAARN Cc1ccc(C)c(COc2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc32)c1 ZINC000015390703 524106195 /nfs/dbraw/zinc/10/61/95/524106195.db2.gz XTFLKMLGERIISI-UHFFFAOYSA-N 0 0 441.531 4.986 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)nn2)c1 ZINC000035398290 524109816 /nfs/dbraw/zinc/10/98/16/524109816.db2.gz UWCXHPPXEWOGGA-INIZCTEOSA-N 0 0 426.442 4.724 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCOC[C@@H]4c4ccccc4)cc3)o2)c1 ZINC000078935857 524124449 /nfs/dbraw/zinc/12/44/49/524124449.db2.gz UMVTYRGGWUCGOA-HSZRJFAPSA-N 0 0 425.488 4.926 50 0 IJAARN Cc1cccc(-c2noc(-c3cn(C)c4cc(N5CCC(C)CC5)c(F)cc4c3=O)n2)c1 ZINC000033256001 524130251 /nfs/dbraw/zinc/13/02/51/524130251.db2.gz APUYEYYBBRFYOX-UHFFFAOYSA-N 0 0 432.499 4.939 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021099775 524151333 /nfs/dbraw/zinc/15/13/33/524151333.db2.gz PHGHGVSRTVHPJN-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(C[C@H](C)NC(=O)C(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000012401825 524152916 /nfs/dbraw/zinc/15/29/16/524152916.db2.gz IIABEDGOGRNQMW-SFHVURJKSA-N 0 0 426.516 4.784 50 0 IJAARN COc1ccc(C[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c2ccc(OC)cc2)cc1 ZINC000023951186 524156779 /nfs/dbraw/zinc/15/67/79/524156779.db2.gz BVABHOGCYVCBSC-QFIPXVFZSA-N 0 0 432.520 4.573 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1OC ZINC000021801749 524163801 /nfs/dbraw/zinc/16/38/01/524163801.db2.gz JQWHMAUXWWFYJA-UHFFFAOYSA-N 0 0 441.535 4.910 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)[C@H](C)c4ccccn4)cc3o2)cc1OC ZINC000023581830 524167075 /nfs/dbraw/zinc/16/70/75/524167075.db2.gz UUSYAMMHJZAUQY-MRXNPFEDSA-N 0 0 431.492 4.664 50 0 IJAARN COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060406 524179350 /nfs/dbraw/zinc/17/93/50/524179350.db2.gz DHQJPGCGDPWFKT-FTJBHMTQSA-N 0 0 442.559 4.518 50 0 IJAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045735 524181359 /nfs/dbraw/zinc/18/13/59/524181359.db2.gz HYZVGPBFDCIDSN-DNQXCXABSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NC2CCC(C)CC2)c2ccccc23)c1 ZINC000020355995 524197713 /nfs/dbraw/zinc/19/77/13/524197713.db2.gz ZKEYACBOCAZMOM-UHFFFAOYSA-N 0 0 449.580 4.718 50 0 IJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)COCc3nc4ccccc4c(=O)[nH]3)cc2)c1 ZINC000012750926 524201678 /nfs/dbraw/zinc/20/16/78/524201678.db2.gz BWPZCAIYPITTNG-UHFFFAOYSA-N 0 0 445.544 4.846 50 0 IJAARN COc1ccc(Cl)cc1CN(C)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000012912432 524205932 /nfs/dbraw/zinc/20/59/32/524205932.db2.gz QVEDFRSJEISVBF-UHFFFAOYSA-N 0 0 432.929 4.762 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)Nc3ccccc3)c2)c1 ZINC000033009636 524218548 /nfs/dbraw/zinc/21/85/48/524218548.db2.gz ZRRSCZMFNIPXRK-UHFFFAOYSA-N 0 0 430.508 4.728 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022933252 524232224 /nfs/dbraw/zinc/23/22/24/524232224.db2.gz XYVVFOPBADJSMG-UHFFFAOYSA-N 0 0 448.636 4.998 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2nc(C)nc3oc(C)c(C)c32)C1 ZINC000032960332 524240213 /nfs/dbraw/zinc/24/02/13/524240213.db2.gz XLUXEVCKNXPPPH-HNNXBMFYSA-N 0 0 428.920 4.665 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccccc1 ZINC000020617475 524240269 /nfs/dbraw/zinc/24/02/69/524240269.db2.gz CJCNQUHJGDZDKL-PNHLSOANSA-N 0 0 449.894 4.775 50 0 IJAARN Cc1cccc(C)c1-n1nnnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000021541784 524245976 /nfs/dbraw/zinc/24/59/76/524245976.db2.gz ZOLLCQYFNZTZAC-UHFFFAOYSA-N 0 0 446.561 4.536 50 0 IJAARN C[C@@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4cccc(Cl)c4)c3s2)C1 ZINC000035533401 524248987 /nfs/dbraw/zinc/24/89/87/524248987.db2.gz KKYFJEDRCYFQAL-GFCCVEGCSA-N 0 0 433.990 4.707 50 0 IJAARN COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCC(=O)C(C)(C)C)ccc34)c(=O)oc21 ZINC000012883419 524255550 /nfs/dbraw/zinc/25/55/50/524255550.db2.gz VMHVYKBXUAABEU-UHFFFAOYSA-N 0 0 448.471 4.877 50 0 biogenic IJAARN COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(OC)c4)c3c2=O)cc1 ZINC000035400638 524264092 /nfs/dbraw/zinc/26/40/92/524264092.db2.gz IXAVVEMSGRTAIZ-UHFFFAOYSA-N 0 0 439.515 4.773 50 0 IJAARN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CCC[C@@H]3c3ccco3)c2n1 ZINC000021525412 524268318 /nfs/dbraw/zinc/26/83/18/524268318.db2.gz LJYLOTWCXFLBSS-QGZVFWFLSA-N 0 0 438.434 4.913 50 0 IJAARN COc1ccccc1-c1csc2c1NC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000021157720 524278110 /nfs/dbraw/zinc/27/81/10/524278110.db2.gz CSEAYCNYROBBRR-HNNXBMFYSA-N 0 0 425.506 4.924 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(C)c1 ZINC000012902642 524285375 /nfs/dbraw/zinc/28/53/75/524285375.db2.gz YCSWUXBDQCYVHY-UHFFFAOYSA-N 0 0 425.916 4.608 50 0 IJAARN Cc1ccc(CCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858570 524321004 /nfs/dbraw/zinc/32/10/04/524321004.db2.gz YDMVZICNSDRRKE-HHHXNRCGSA-N 0 0 431.580 4.569 50 0 IJAARN COc1ccccc1C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C ZINC000035765074 524337267 /nfs/dbraw/zinc/33/72/67/524337267.db2.gz CIPZBCSOFNKPEB-UHFFFAOYSA-N 0 0 448.563 4.658 50 0 IJAARN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000078937681 524347520 /nfs/dbraw/zinc/34/75/20/524347520.db2.gz ICULMWXSNVDWAV-OAQYLSRUSA-N 0 0 446.551 4.629 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)c2ccc(C)cc2)C1 ZINC000035835432 524373459 /nfs/dbraw/zinc/37/34/59/524373459.db2.gz ZRXXTZVRESRJRT-NRFANRHFSA-N 0 0 432.495 4.978 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(C)cc2)C1 ZINC000035839260 524374134 /nfs/dbraw/zinc/37/41/34/524374134.db2.gz YLJTWDXWBPPSCS-QFIPXVFZSA-N 0 0 432.495 4.978 50 0 IJAARN Cc1ccc(CN(C)C(=O)c2cccc(-n3cc(NC(=O)Cc4cccc(C)c4)cn3)c2)o1 ZINC000011871141 524383371 /nfs/dbraw/zinc/38/33/71/524383371.db2.gz MODTYJLEKWLJHY-UHFFFAOYSA-N 0 0 442.519 4.536 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)[C@@H]1C ZINC000016044717 524396729 /nfs/dbraw/zinc/39/67/29/524396729.db2.gz FEZCXRDDVKUDOY-HLIPFELVSA-N 0 0 437.565 4.699 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001168111 524418885 /nfs/dbraw/zinc/41/88/85/524418885.db2.gz MAFNZOQGSAETJT-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885288 524434855 /nfs/dbraw/zinc/43/48/55/524434855.db2.gz CQCQCXILSDZFFN-IBGZPJMESA-N 0 0 430.508 4.613 50 0 IJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000001015542 524436662 /nfs/dbraw/zinc/43/66/62/524436662.db2.gz UFWJIHZDZGUQTC-ZDUSSCGKSA-N 0 0 429.289 4.723 50 0 IJAARN COc1ccccc1CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(C)cc1 ZINC000035562316 524479233 /nfs/dbraw/zinc/47/92/33/524479233.db2.gz AAHBNBHEEAKAOB-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccc(F)cc3)c2c1=O ZINC000035400361 524521808 /nfs/dbraw/zinc/52/18/08/524521808.db2.gz BQFGNNITNDNXLE-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561926 524532634 /nfs/dbraw/zinc/53/26/34/524532634.db2.gz JUHBNGXWKZNMNT-PMACEKPBSA-N 0 0 431.580 4.794 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)c1 ZINC000020559204 524534381 /nfs/dbraw/zinc/53/43/81/524534381.db2.gz YNQOXNQXOUVZCG-HXUWFJFHSA-N 0 0 427.932 4.861 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)c1C ZINC000021810906 524535403 /nfs/dbraw/zinc/53/54/03/524535403.db2.gz XHSLQSPKAJEKSJ-MKTSZQRWSA-N 0 0 433.552 4.965 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2cccs2)CC1 ZINC000020857501 524562780 /nfs/dbraw/zinc/56/27/80/524562780.db2.gz JYRPPMBVPIGWJP-JTSKRJEESA-N 0 0 441.622 4.500 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2ncnc3sccc32)cc1 ZINC000012549195 524563855 /nfs/dbraw/zinc/56/38/55/524563855.db2.gz HCEHLKNQPJGQSR-UHFFFAOYSA-N 0 0 448.573 4.661 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccccc2)n1 ZINC000021523646 524574573 /nfs/dbraw/zinc/57/45/73/524574573.db2.gz IASYPELPUFHSBP-JOCHJYFZSA-N 0 0 427.533 4.721 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1)c1ccccc1 ZINC000021810982 524587951 /nfs/dbraw/zinc/58/79/51/524587951.db2.gz NAFPVKCFFGITIS-HZIBLGNYSA-N 0 0 447.579 4.947 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2CCc2ccccc2)c1C ZINC000012495748 524604641 /nfs/dbraw/zinc/60/46/41/524604641.db2.gz SUNPBLLDAQDQHG-UHFFFAOYSA-N 0 0 443.576 4.930 50 0 IJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c1C ZINC000035535268 524608360 /nfs/dbraw/zinc/60/83/60/524608360.db2.gz ZNSOQXUHTMKHOB-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000033113024 524618616 /nfs/dbraw/zinc/61/86/16/524618616.db2.gz VFXHQNRMGVWBRK-HNNXBMFYSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)cc1 ZINC000035180986 524643116 /nfs/dbraw/zinc/64/31/16/524643116.db2.gz VPKKDQRHNQWRQE-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN C[C@@H](CNC(=O)[C@@H](C)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000012768389 524694373 /nfs/dbraw/zinc/69/43/73/524694373.db2.gz YZJQCSBHEOAROB-UONOGXRCSA-N 0 0 446.370 4.900 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)cc1 ZINC000021846040 524721049 /nfs/dbraw/zinc/72/10/49/524721049.db2.gz PWRHDUKPLJJBFU-OAHLLOKOSA-N 0 0 432.596 4.808 50 0 IJAARN COc1ccccc1[C@@H](CNC(=O)c1sc(-c2cccs2)nc1C)N1CCCC1 ZINC000022680215 524733145 /nfs/dbraw/zinc/73/31/45/524733145.db2.gz AXOGLHAFGBGIPW-QGZVFWFLSA-N 0 0 427.595 4.756 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(C)C(=O)CC(C)(C)C ZINC000035961288 524748556 /nfs/dbraw/zinc/74/85/56/524748556.db2.gz PWSZPZVRYZSDIC-QHCPKHFHSA-N 0 0 449.595 4.884 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccoc2)c1 ZINC000012798201 524786171 /nfs/dbraw/zinc/78/61/71/524786171.db2.gz RIKZKTKTVBPQTD-UHFFFAOYSA-N 0 0 440.521 4.807 50 0 IJAARN COc1ccccc1[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)N(C)C ZINC000012754356 524792852 /nfs/dbraw/zinc/79/28/52/524792852.db2.gz AMQYCHAFGIEYBO-NRFANRHFSA-N 0 0 446.576 4.642 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NC2CCCCC2)c1 ZINC000032974999 524796459 /nfs/dbraw/zinc/79/64/59/524796459.db2.gz FIXIKHTVFWXWJO-UHFFFAOYSA-N 0 0 433.552 4.938 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)c1 ZINC000021362358 524833860 /nfs/dbraw/zinc/83/38/60/524833860.db2.gz LTEGRYLGSKHIAB-UHFFFAOYSA-N 0 0 443.503 4.676 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000033068754 524851577 /nfs/dbraw/zinc/85/15/77/524851577.db2.gz GEXKUGYNPAOKBO-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)c1 ZINC000033263812 524859701 /nfs/dbraw/zinc/85/97/01/524859701.db2.gz LYYQKGADCVDNOO-UHFFFAOYSA-N 0 0 445.523 4.636 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)c(F)c2)cc1C ZINC000021353727 524890885 /nfs/dbraw/zinc/89/08/85/524890885.db2.gz NICYSWWERVQMLM-UHFFFAOYSA-N 0 0 436.505 4.721 50 0 IJAARN COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1 ZINC000020892645 524918619 /nfs/dbraw/zinc/91/86/19/524918619.db2.gz GWCIPELFDXSYOX-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN C[C@@H](Cc1ccccn1)NC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000015069415 524924830 /nfs/dbraw/zinc/92/48/30/524924830.db2.gz SQJQFWHLCWBFKW-ZDUSSCGKSA-N 0 0 430.455 4.838 50 0 IJAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012923204 524930816 /nfs/dbraw/zinc/93/08/16/524930816.db2.gz IZEZVZZQWGJNME-KRWDZBQOSA-N 0 0 439.558 4.677 50 0 IJAARN Cc1ccc(N2O[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000238923845 524986596 /nfs/dbraw/zinc/98/65/96/524986596.db2.gz PMGVEKQRRLEQFH-ZLNRFVROSA-N 0 0 432.907 4.695 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012798115 524989303 /nfs/dbraw/zinc/98/93/03/524989303.db2.gz JQDZQHDAMPBSJU-INIZCTEOSA-N 0 0 425.550 4.529 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000012361529 525045529 /nfs/dbraw/zinc/04/55/29/525045529.db2.gz NLLNWFHRSZDKLH-FQEVSTJZSA-N 0 0 437.348 4.597 50 0 IJAARN Cc1ccccc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)NCC(C)C)C1 ZINC000036041911 525049055 /nfs/dbraw/zinc/04/90/55/525049055.db2.gz XEDAHWAEKGQJAF-LEWJYISDSA-N 0 0 432.486 4.642 50 0 IJAARN C[C@@H](NC(=O)CCC(=O)c1ccc(I)cc1)c1cccc(Cl)c1 ZINC000012787738 525081485 /nfs/dbraw/zinc/08/14/85/525081485.db2.gz LQBFFVFIGZOQEA-GFCCVEGCSA-N 0 0 441.696 4.785 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c(C)c1 ZINC000035533425 525083390 /nfs/dbraw/zinc/08/33/90/525083390.db2.gz GWLOLSKEPBFGOD-CQSZACIVSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C(C)C)cc1 ZINC000033087543 525084935 /nfs/dbraw/zinc/08/49/35/525084935.db2.gz NYOQATJJRWOTMP-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000012389964 525093049 /nfs/dbraw/zinc/09/30/49/525093049.db2.gz QUDKZQVNWWJILS-UHFFFAOYSA-N 0 0 444.528 4.919 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3n[nH]c(-c4cccs4)n3)cs2)cc1 ZINC000012748629 525097872 /nfs/dbraw/zinc/09/78/72/525097872.db2.gz XRGDPFLONNJXOW-UHFFFAOYSA-N 0 0 427.580 4.772 50 0 IJAARN Cc1ccccc1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021858797 525109263 /nfs/dbraw/zinc/10/92/63/525109263.db2.gz LCZBIEDAMVBYKV-HHHXNRCGSA-N 0 0 431.580 4.569 50 0 IJAARN C[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000012631206 525136252 /nfs/dbraw/zinc/13/62/52/525136252.db2.gz SDKLVWBFOLPGPT-OAHLLOKOSA-N 0 0 446.931 4.700 50 0 IJAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)NCCc3ccccc3)c2)C1=O ZINC000035180888 525139069 /nfs/dbraw/zinc/13/90/69/525139069.db2.gz BLNXRPZCKLJGJQ-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN Cc1ccccc1CN1CCCN(c2cccc(NC(=O)COc3ccccc3)c2)C1=O ZINC000037545105 525140464 /nfs/dbraw/zinc/14/04/64/525140464.db2.gz LJVQJHBITOWRHA-UHFFFAOYSA-N 0 0 429.520 4.845 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2cccs2)N2CCCC2)cc1 ZINC000012819685 525186758 /nfs/dbraw/zinc/18/67/58/525186758.db2.gz LJNVGWXXZMZXDQ-JOCHJYFZSA-N 0 0 434.561 4.555 50 0 IJAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccc(F)cc1 ZINC000035529338 525188580 /nfs/dbraw/zinc/18/85/80/525188580.db2.gz HYKRGADMMCVSLN-UHFFFAOYSA-N 0 0 436.537 4.894 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CCCc1ccccc1 ZINC000021809466 525199308 /nfs/dbraw/zinc/19/93/08/525199308.db2.gz YOKSYOGNLIKHTJ-RUZDIDTESA-N 0 0 435.593 4.609 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021859495 525212314 /nfs/dbraw/zinc/21/23/14/525212314.db2.gz SUNPHNCITYCDTJ-HHHXNRCGSA-N 0 0 441.506 4.512 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000012535941 525224134 /nfs/dbraw/zinc/22/41/34/525224134.db2.gz SCQJKUZYHGPTIK-LRDDRELGSA-N 0 0 426.510 4.705 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(C)cc2)cc1 ZINC000015009527 525225718 /nfs/dbraw/zinc/22/57/18/525225718.db2.gz ZKSAXOXIXDLUGU-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012767118 525240909 /nfs/dbraw/zinc/24/09/09/525240909.db2.gz PVYYQFBDNIBOEX-NRFANRHFSA-N 0 0 426.582 4.753 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1 ZINC000012791005 525268457 /nfs/dbraw/zinc/26/84/57/525268457.db2.gz KFZADIGIFLARBQ-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)c(Br)c1 ZINC000035557051 525296057 /nfs/dbraw/zinc/29/60/57/525296057.db2.gz VPVZATWISRIHAU-UHFFFAOYSA-N 0 0 440.344 4.547 50 0 IJAARN COc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)cc1 ZINC000012203941 525299925 /nfs/dbraw/zinc/29/99/25/525299925.db2.gz FWRJSGPXVUNVRZ-PZJWPPBQSA-N 0 0 432.568 4.691 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)nc(C)n2)cc1 ZINC000021795304 525322961 /nfs/dbraw/zinc/32/29/61/525322961.db2.gz ICECCWVDKDLYBV-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN Cc1ccccc1Oc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000035987304 525326616 /nfs/dbraw/zinc/32/66/16/525326616.db2.gz VOXCAAGYILFACC-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN Cc1cc(OCCSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)ccc1Cl ZINC000021723250 525371140 /nfs/dbraw/zinc/37/11/40/525371140.db2.gz WJEIDMUUVJJCRS-UHFFFAOYSA-N 0 0 431.945 4.776 50 0 IJAARN Cc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000012917898 525432409 /nfs/dbraw/zinc/43/24/09/525432409.db2.gz NQOSWGJDOSXJPC-KRWDZBQOSA-N 0 0 426.925 4.527 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000022709164 525440542 /nfs/dbraw/zinc/44/05/42/525440542.db2.gz HJVKSHJYYKZTHY-MRVPVSSYSA-N 0 0 426.687 4.842 50 0 IJAARN Cc1c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)sc2nc(C(C)(C)C)nc(C)c12 ZINC000023039353 525554532 /nfs/dbraw/zinc/55/45/32/525554532.db2.gz QYWYHRAFSPJDKJ-UHFFFAOYSA-N 0 0 438.597 4.933 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3c(F)cccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884618 525611063 /nfs/dbraw/zinc/61/10/63/525611063.db2.gz UGQAGAZQWZZPEY-AWEZNQCLSA-N 0 0 440.421 4.666 50 0 IJAARN COc1ccc2cc(CN(C)C(=O)c3cc(C)nc4c3nc3n4CCCCC3)ccc2c1 ZINC000022890979 525626493 /nfs/dbraw/zinc/62/64/93/525626493.db2.gz FKQDWLZYWUYBAK-UHFFFAOYSA-N 0 0 428.536 4.900 50 0 IJAARN Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)sc2nc3n(c(=O)c12)CCCCC3 ZINC000012764412 525628000 /nfs/dbraw/zinc/62/80/00/525628000.db2.gz WGDYLBSYQFOHLP-UHFFFAOYSA-N 0 0 436.364 4.730 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccccc1C)C3=O ZINC000020902899 525644523 /nfs/dbraw/zinc/64/45/23/525644523.db2.gz ZNXIITZDCGMUGJ-HHHXNRCGSA-N 0 0 445.563 4.826 50 0 IJAARN Cc1cc2nc(COc3ccc(NC(=O)c4cccc5ccccc54)cc3)cc(=O)n2o1 ZINC000035378613 525673589 /nfs/dbraw/zinc/67/35/89/525673589.db2.gz GDOGJFDFBXANPI-UHFFFAOYSA-N 0 0 425.444 4.580 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000033168694 525673830 /nfs/dbraw/zinc/67/38/30/525673830.db2.gz NKBHFRFVHXGPEY-JOCHJYFZSA-N 0 0 446.620 4.902 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)c3ccc(F)c(Cl)c3)cc(=O)n2o1 ZINC000041085573 525676213 /nfs/dbraw/zinc/67/62/13/525676213.db2.gz OJKFHZFJGIEPKY-UHFFFAOYSA-N 0 0 443.887 4.933 50 0 IJAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)Nc3cccc(Cl)c3)c(=O)c12 ZINC000032999204 525678737 /nfs/dbraw/zinc/67/87/37/525678737.db2.gz IGLFQRAGAJJRJI-UHFFFAOYSA-N 0 0 438.890 4.625 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3cc(-c4ccccc4)no3)c3c(C)nn(C)c3n2)c1 ZINC000036616598 525702555 /nfs/dbraw/zinc/70/25/55/525702555.db2.gz LXHSPJLCLOOSJG-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN CSCc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1 ZINC000020917485 525723807 /nfs/dbraw/zinc/72/38/07/525723807.db2.gz PYIPSLRQIYYXKZ-UHFFFAOYSA-N 0 0 442.531 4.968 50 0 IJAARN COc1cccc(-c2nn(Cc3nc(-c4ccc(C)cc4)oc3C)c(=O)c3noc(C)c32)c1 ZINC000021883124 525731753 /nfs/dbraw/zinc/73/17/53/525731753.db2.gz MQISFCRSYPCUAZ-UHFFFAOYSA-N 0 0 442.475 4.689 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NCc5ccccc5)C4)nccn3n2)cc1C ZINC000033266346 525737972 /nfs/dbraw/zinc/73/79/72/525737972.db2.gz ZMZLNNBRWZTOSG-QHCPKHFHSA-N 0 0 439.563 4.546 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Cl)cc12 ZINC000011865677 525739350 /nfs/dbraw/zinc/73/93/50/525739350.db2.gz PUXGZBUVUPXDAV-INIZCTEOSA-N 0 0 444.311 4.863 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)o1 ZINC000021659771 525761482 /nfs/dbraw/zinc/76/14/82/525761482.db2.gz DMMUSRUTVBYERN-QGZVFWFLSA-N 0 0 431.330 4.972 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 ZINC000012894461 525768286 /nfs/dbraw/zinc/76/82/86/525768286.db2.gz UBIPDYCLNYGRGJ-UHFFFAOYSA-N 0 0 446.334 4.987 50 0 IJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3N(C)C2=O)c1 ZINC000020180449 525771258 /nfs/dbraw/zinc/77/12/58/525771258.db2.gz LGRSMROPTBXTOU-QRVIBDJDSA-N 0 0 448.519 4.874 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1Cl ZINC000021810478 525791578 /nfs/dbraw/zinc/79/15/78/525791578.db2.gz OVBRJMSURGWTHI-DEOSSOPVSA-N 0 0 439.943 4.751 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCCc1ccccc1 ZINC000021808236 525792471 /nfs/dbraw/zinc/79/24/71/525792471.db2.gz CVYCLYVUCGTMGG-SANMLTNESA-N 0 0 449.620 4.999 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCC3)no2)cc1C ZINC000035460353 525795921 /nfs/dbraw/zinc/79/59/21/525795921.db2.gz YMTUURVFFBOIIZ-UHFFFAOYSA-N 0 0 429.524 4.773 50 0 IJAARN Cc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(Oc3ccc4c(c3)OCO4)n2)cc1 ZINC000035988139 525831144 /nfs/dbraw/zinc/83/11/44/525831144.db2.gz NSCAAFWCYKYGEC-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)c1 ZINC000035928530 525836221 /nfs/dbraw/zinc/83/62/21/525836221.db2.gz QWJGPAPOOVBRII-VWLOTQADSA-N 0 0 447.560 4.792 50 0 IJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn32)c1 ZINC000012342157 525841146 /nfs/dbraw/zinc/84/11/46/525841146.db2.gz BHCSJTUYDJTNFT-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN COc1cccc(CC(=O)N2CCc3ccc(NC(=O)c4ccccc4Cl)cc3C2)c1 ZINC000012583467 525869826 /nfs/dbraw/zinc/86/98/26/525869826.db2.gz OLFRANUENQNOJR-UHFFFAOYSA-N 0 0 434.923 4.728 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)c1 ZINC000035181076 525871379 /nfs/dbraw/zinc/87/13/79/525871379.db2.gz VFLIVNPVIGJGPR-GOSISDBHSA-N 0 0 447.510 4.964 50 0 IJAARN C[C@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012676340 525879100 /nfs/dbraw/zinc/87/91/00/525879100.db2.gz ONJATQNEZYVKJM-KFRNIWOLSA-N 0 0 432.423 4.811 50 0 IJAARN Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)OCC(=O)NCc2ccco2)cc1 ZINC000008825682 525889822 /nfs/dbraw/zinc/88/98/22/525889822.db2.gz BURUQZFDGWDTKL-UHFFFAOYSA-N 0 0 446.528 4.781 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2-n2cccc2)cc1 ZINC000015681347 525931371 /nfs/dbraw/zinc/93/13/71/525931371.db2.gz SXPIWXFQOFTFIV-UHFFFAOYSA-N 0 0 445.954 4.587 50 0 IJAARN CSc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000021647912 525949552 /nfs/dbraw/zinc/94/95/52/525949552.db2.gz LFEWVNRKUONEMG-OAHLLOKOSA-N 0 0 449.985 4.680 50 0 IJAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCCO3)c(=O)oc12 ZINC000012887314 525996817 /nfs/dbraw/zinc/99/68/17/525996817.db2.gz AUCZCGLSITYYQE-SFHVURJKSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)c1 ZINC000033256987 526004853 /nfs/dbraw/zinc/00/48/53/526004853.db2.gz NTPCMGGSUXWOTB-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000012768392 526008969 /nfs/dbraw/zinc/00/89/69/526008969.db2.gz YZJQCSBHEOAROB-ZIAGYGMSSA-N 0 0 446.370 4.900 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012592113 526011268 /nfs/dbraw/zinc/01/12/68/526011268.db2.gz ZSWWCBCJBWRTPH-KRWDZBQOSA-N 0 0 444.564 4.515 50 0 IJAARN C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008862302 526016410 /nfs/dbraw/zinc/01/64/10/526016410.db2.gz GMQRSUWXCFLVND-ZDUSSCGKSA-N 0 0 425.514 4.649 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)cc3F)c2)on1 ZINC000020580157 526039783 /nfs/dbraw/zinc/03/97/83/526039783.db2.gz URFCSWZOQYKSFU-UHFFFAOYSA-N 0 0 425.279 4.661 50 0 IJAARN Cc1ccc(C(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c(C)c1 ZINC000012415315 526050586 /nfs/dbraw/zinc/05/05/86/526050586.db2.gz PQNQQDWSPPFDPK-UHFFFAOYSA-N 0 0 429.339 4.587 50 0 IJAARN CSc1cccc(-n2nnc(C(=O)OCc3nc(-c4ccc(C)cc4)oc3C)c2C)c1 ZINC000012416113 526084990 /nfs/dbraw/zinc/08/49/90/526084990.db2.gz UQOYTMTXIOXSEU-UHFFFAOYSA-N 0 0 434.521 4.926 50 0 IJAARN C[C@@H](c1ccccc1)N1C(=S)NNC1=C1C=C(c2cccc(Br)c2)N=N1 ZINC000017094749 526098141 /nfs/dbraw/zinc/09/81/41/526098141.db2.gz CLSGMLWIIDVSQP-LBPRGKRZSA-N 0 0 426.343 4.996 50 0 IJAARN COc1cccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c1 ZINC000021661390 526141018 /nfs/dbraw/zinc/14/10/18/526141018.db2.gz WRSWCHBSYSVURH-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000020664961 526142747 /nfs/dbraw/zinc/14/27/47/526142747.db2.gz VRCSNNATJLICSP-JJIBRWJFSA-N 0 0 437.499 4.537 50 0 IJAARN C[C@@H](c1ccon1)N(C)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012161389 526153582 /nfs/dbraw/zinc/15/35/82/526153582.db2.gz DNWUEZKRELCKPL-SIBVEZHUSA-N 0 0 431.536 4.533 50 0 IJAARN Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000012137694 526158236 /nfs/dbraw/zinc/15/82/36/526158236.db2.gz PKRRUZRVHSSNOF-MRXNPFEDSA-N 0 0 445.357 4.708 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c1 ZINC000017968721 526170630 /nfs/dbraw/zinc/17/06/30/526170630.db2.gz VPASHMGPXVMRID-UHFFFAOYSA-N 0 0 429.476 4.523 50 0 IJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 ZINC000009666417 526196848 /nfs/dbraw/zinc/19/68/48/526196848.db2.gz DYLUEFSTUUJSSG-FQEVSTJZSA-N 0 0 440.293 4.995 50 0 IJAARN COc1cccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3cccc(OC)c3)c(F)c2F)c1 ZINC000022590275 526201080 /nfs/dbraw/zinc/20/10/80/526201080.db2.gz OYHLTKVJGRQOJZ-UHFFFAOYSA-N 0 0 448.372 4.765 50 0 IJAARN Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000012523963 526211370 /nfs/dbraw/zinc/21/13/70/526211370.db2.gz RWEUGTMZKDGBTE-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN CSc1nccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCCc2cccs2)C3)n1 ZINC000012150467 526221736 /nfs/dbraw/zinc/22/17/36/526221736.db2.gz RPLUXBQYAMXILK-MRXNPFEDSA-N 0 0 443.569 4.509 50 0 IJAARN Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 ZINC000021601261 526227971 /nfs/dbraw/zinc/22/79/71/526227971.db2.gz KYDRHVNNSJVQAK-UHFFFAOYSA-N 0 0 434.883 4.991 50 0 IJAARN CSc1nnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1-c1ccccc1C ZINC000012243223 526228734 /nfs/dbraw/zinc/22/87/34/526228734.db2.gz BCVQGGHYZRNHAZ-UHFFFAOYSA-N 0 0 428.561 4.746 50 0 IJAARN Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)cc3)sc2c1 ZINC000020461259 526242286 /nfs/dbraw/zinc/24/22/86/526242286.db2.gz KGESMYWOSQGWAE-UHFFFAOYSA-N 0 0 438.530 4.844 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC[C@H](c3ccco3)N(C)C)cc12 ZINC000012776562 526297156 /nfs/dbraw/zinc/29/71/56/526297156.db2.gz YVNFPQMYJBCDPQ-GOSISDBHSA-N 0 0 442.972 4.734 50 0 IJAARN Cc1nnc(-c2ccc(C(=O)N3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)cc2)o1 ZINC000089736377 526316190 /nfs/dbraw/zinc/31/61/90/526316190.db2.gz NNEOIUYBDJWVKM-SFHVURJKSA-N 0 0 449.555 4.961 50 0 IJAARN Fc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000035511592 526316260 /nfs/dbraw/zinc/31/62/60/526316260.db2.gz OKIJWBVSSAKYMZ-UHFFFAOYSA-N 0 0 441.260 4.813 50 0 IJAARN Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)CCc3cccs3)c2)s1 ZINC000012198334 526318929 /nfs/dbraw/zinc/31/89/29/526318929.db2.gz KMNTZNTUXRGKNX-LJQANCHMSA-N 0 0 440.594 4.527 50 0 IJAARN O=C([O-])c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl ZINC000035482677 526348550 /nfs/dbraw/zinc/34/85/50/526348550.db2.gz MECFDXFVAVIULC-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000021366937 526365619 /nfs/dbraw/zinc/36/56/19/526365619.db2.gz LBDBPQXRKMXXHH-JOCHJYFZSA-N 0 0 449.917 4.836 50 0 IJAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020988614 526366676 /nfs/dbraw/zinc/36/66/76/526366676.db2.gz KFNFCUJEJOCMKI-HSZRJFAPSA-N 0 0 432.474 4.926 50 0 IJAARN Cc1csc(N(C(=O)CSc2nnnn2-c2c(C)cccc2C)c2ccccc2)n1 ZINC000012907452 526371022 /nfs/dbraw/zinc/37/10/22/526371022.db2.gz OUILBOSQZKUGIY-UHFFFAOYSA-N 0 0 436.566 4.501 50 0 IJAARN Cc1nnc(SCC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)s1 ZINC000015077954 526379837 /nfs/dbraw/zinc/37/98/37/526379837.db2.gz UIIHVQAYLMUXNZ-SFHVURJKSA-N 0 0 441.626 4.616 50 0 IJAARN O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1cccc2ccccc21 ZINC000012137351 526414472 /nfs/dbraw/zinc/41/44/72/526414472.db2.gz XTWBIFFWODWYRB-UHFFFAOYSA-N 0 0 434.561 4.999 50 0 IJAARN O=C(NCCc1ccccc1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035181003 526426700 /nfs/dbraw/zinc/42/67/00/526426700.db2.gz QNYCBCPFQAVDLE-UHFFFAOYSA-N 0 0 431.511 4.631 50 0 IJAARN O=C(Oc1cc(Cl)ccc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000012675444 526437800 /nfs/dbraw/zinc/43/78/00/526437800.db2.gz WUAWFWSIQZNYSK-UHFFFAOYSA-N 0 0 425.271 4.971 50 0 IJAARN O=C(Oc1ccc(Oc2ccccn2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012739066 526441564 /nfs/dbraw/zinc/44/15/64/526441564.db2.gz JPXVEKLJJZLVDM-UHFFFAOYSA-N 0 0 435.439 4.792 50 0 IJAARN O=C(Oc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000018024610 526446049 /nfs/dbraw/zinc/44/60/49/526446049.db2.gz OLVTUVGURROYJI-AGILITTLSA-N 0 0 425.484 4.979 50 0 IJAARN O=C(CCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000012797599 526453413 /nfs/dbraw/zinc/45/34/13/526453413.db2.gz YRHNHNTXXTVAPS-SFHVURJKSA-N 0 0 442.968 4.984 50 0 IJAARN O=C(CCCc1nc2ccccc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023956863 526467112 /nfs/dbraw/zinc/46/71/12/526467112.db2.gz YYZQUYHBSBJVJJ-UHFFFAOYSA-N 0 0 436.606 4.573 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012601402 526479533 /nfs/dbraw/zinc/47/95/33/526479533.db2.gz XVRFUHBHYBKARC-GOSISDBHSA-N 0 0 437.590 4.879 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2F)n1 ZINC000034713369 526521976 /nfs/dbraw/zinc/52/19/76/526521976.db2.gz YUXAFHMNFDJYQF-AWEZNQCLSA-N 0 0 448.466 4.715 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(I)c3)s2)cs1 ZINC000012893970 526570992 /nfs/dbraw/zinc/57/09/92/526570992.db2.gz XMXFWXWVSOWEPZ-UHFFFAOYSA-N 0 0 440.331 4.715 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCCC[C@H]1c1cccnc1 ZINC000012099729 526576266 /nfs/dbraw/zinc/57/62/66/526576266.db2.gz IOLNHGJUTJMMLZ-LSYYVWMOSA-N 0 0 441.575 4.960 50 0 IJAARN c1csc(-c2nnc(SCc3nccn3Cc3ccccc3)n2C[C@@H]2CCCO2)c1 ZINC000040067281 526576441 /nfs/dbraw/zinc/57/64/41/526576441.db2.gz MYVPNWLPRUKQJH-SFHVURJKSA-N 0 0 437.594 4.723 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000012203153 526576733 /nfs/dbraw/zinc/57/67/33/526576733.db2.gz XNGUNWIYFVBWTP-DFHRPNOPSA-N 0 0 444.550 4.967 50 0 IJAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907893 526581698 /nfs/dbraw/zinc/58/16/98/526581698.db2.gz OEYUHZQHWNPSJJ-MRXNPFEDSA-N 0 0 431.355 4.633 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)COC(=O)CCc3ccc4ccccc4n3)c2)cs1 ZINC000021432424 526587198 /nfs/dbraw/zinc/58/71/98/526587198.db2.gz WHRAKPWCVWIAHI-UHFFFAOYSA-N 0 0 431.517 4.781 50 0 IJAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1 ZINC000035769360 526596734 /nfs/dbraw/zinc/59/67/34/526596734.db2.gz WYNVNQATXBRUST-UHFFFAOYSA-N 0 0 443.595 4.673 50 0 IJAARN c1sc(-c2ccccc2)nc1CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000022358783 526629380 /nfs/dbraw/zinc/62/93/80/526629380.db2.gz VTOSHKNWUVWPGD-UHFFFAOYSA-N 0 0 434.590 4.878 50 0 IJAARN Cc1nc(C(=O)N2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)cs1 ZINC000015069751 526640645 /nfs/dbraw/zinc/64/06/45/526640645.db2.gz UXNSQJPQLMLUDZ-FQEVSTJZSA-N 0 0 441.560 4.990 50 0 IJAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1ccc2ccccc2c1 ZINC000021653386 526651527 /nfs/dbraw/zinc/65/15/27/526651527.db2.gz ZPMCJQVBFJMONO-UHFFFAOYSA-N 0 0 447.476 4.729 50 0 IJAARN O=C(CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1)Nc1ccccc1F ZINC000021721466 526651931 /nfs/dbraw/zinc/65/19/31/526651931.db2.gz SLSGUNGSSMXBSY-UHFFFAOYSA-N 0 0 432.864 4.867 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057907 526700145 /nfs/dbraw/zinc/70/01/45/526700145.db2.gz CDZHKENDABBOIJ-UHFFFAOYSA-N 0 0 425.444 4.595 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000012808961 526701069 /nfs/dbraw/zinc/70/10/69/526701069.db2.gz CYGJKBKMLJWREY-UHFFFAOYSA-N 0 0 433.291 4.633 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)c1ccco1)N(Cc1cccs1)Cc1ccccc1 ZINC000035808063 526701163 /nfs/dbraw/zinc/70/11/63/526701163.db2.gz TVMWYTFZVKERRD-UHFFFAOYSA-N 0 0 434.517 4.806 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545498 526710800 /nfs/dbraw/zinc/71/08/00/526710800.db2.gz OHFWMHSRWDPRLZ-CTNGQTDRSA-N 0 0 430.470 4.712 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000035980959 526712566 /nfs/dbraw/zinc/71/25/66/526712566.db2.gz YQEWXTHLBCUSES-FQEVSTJZSA-N 0 0 446.469 4.523 50 0 IJAARN O=C(NCc1ccccc1)c1cc2ccccc2cc1OC[C@@H](O)COc1ccccc1 ZINC000012929089 526736955 /nfs/dbraw/zinc/73/69/55/526736955.db2.gz SVSFNKLXGAMVAO-QHCPKHFHSA-N 0 0 427.500 4.589 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022605107 526750358 /nfs/dbraw/zinc/75/03/58/526750358.db2.gz AHPZRZLMWBVVIY-UHFFFAOYSA-N 0 0 442.382 4.531 50 0 IJAARN O=C(NCc1ccccc1OC(F)F)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000022374263 526756450 /nfs/dbraw/zinc/75/64/50/526756450.db2.gz CJNWYKXOTYKZKW-IBGZPJMESA-N 0 0 438.474 4.610 50 0 IJAARN Cc1oc2cc(OCC(=O)NCc3ccccc3F)ccc2c(=O)c1Oc1ccccc1 ZINC000012802290 526779846 /nfs/dbraw/zinc/77/98/46/526779846.db2.gz YKNMPSGSOLEESP-UHFFFAOYSA-N 0 0 433.435 4.728 50 0 IJAARN Cc1occc1-c1nnc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)n1C ZINC000021278781 526798290 /nfs/dbraw/zinc/79/82/90/526798290.db2.gz TXFBAHDRYKSRRJ-UHFFFAOYSA-N 0 0 434.481 4.689 50 0 IJAARN O=C(c1ccccc1F)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000036008408 526803837 /nfs/dbraw/zinc/80/38/37/526803837.db2.gz ONWOOAFAGCSLPJ-UHFFFAOYSA-N 0 0 443.471 4.537 50 0 IJAARN O=C(CNC(=S)N(Cc1cccs1)C1CCCCC1)NCc1ccc(Cl)cc1 ZINC000020678503 526875278 /nfs/dbraw/zinc/87/52/78/526875278.db2.gz UJNSNSIEHXWCRF-UHFFFAOYSA-N 0 0 436.046 4.727 50 0 IJAARN O=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)Nc1ccccc1OC(F)F ZINC000012538176 526895351 /nfs/dbraw/zinc/89/53/51/526895351.db2.gz CLVDUUQTJKVGBB-UHFFFAOYSA-N 0 0 443.372 4.706 50 0 IJAARN O=C(COC(=O)c1ccc(SCc2cscn2)cc1)Nc1cccc2ncccc21 ZINC000022765647 526913961 /nfs/dbraw/zinc/91/39/61/526913961.db2.gz PMCMHLURICVJDZ-UHFFFAOYSA-N 0 0 435.530 4.779 50 0 IJAARN O=C(COC(=O)c1ccc2ccccc2c1O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012638870 526915233 /nfs/dbraw/zinc/91/52/33/526915233.db2.gz SRROYMCSMJSLDI-UHFFFAOYSA-N 0 0 425.484 4.931 50 0 IJAARN O=C(COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)Nc1cccnc1Cl ZINC000012682057 526918390 /nfs/dbraw/zinc/91/83/90/526918390.db2.gz OYHKSSXIXVJCOA-UHFFFAOYSA-N 0 0 429.474 4.539 50 0 IJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(-c2ccccc2Cl)no1 ZINC000021868286 526937976 /nfs/dbraw/zinc/93/79/76/526937976.db2.gz VOOSMKCTOOVKDS-UHFFFAOYSA-N 0 0 427.819 4.944 50 0 IJAARN O=C(COc1ccc(Br)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000012697910 526946356 /nfs/dbraw/zinc/94/63/56/526946356.db2.gz PLXPQFOZRMDMDL-MRXNPFEDSA-N 0 0 431.311 4.860 50 0 IJAARN O=C(N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000015778708 527012195 /nfs/dbraw/zinc/01/21/95/527012195.db2.gz YOGRXACLIJYVBT-FQEVSTJZSA-N 0 0 433.851 4.638 50 0 IJAARN O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)NCCC1=CCCCC1 ZINC000012777183 527030847 /nfs/dbraw/zinc/03/08/47/527030847.db2.gz MAKKATFPCUCREZ-UHFFFAOYSA-N 0 0 445.635 4.953 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012582393 527065961 /nfs/dbraw/zinc/06/59/61/527065961.db2.gz ZFNJRXZXTMGQHX-LBPRGKRZSA-N 0 0 443.985 4.719 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000000882838 527073276 /nfs/dbraw/zinc/07/32/76/527073276.db2.gz LFFTYIJZJZCMKZ-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 ZINC000015882537 527080629 /nfs/dbraw/zinc/08/06/29/527080629.db2.gz OSBJHZCPXDPODY-UHFFFAOYSA-N 0 0 449.483 4.869 50 0 IJAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)cc1 ZINC000012534835 527083060 /nfs/dbraw/zinc/08/30/60/527083060.db2.gz LNKOKPDVCZOFLA-UHFFFAOYSA-N 0 0 444.944 4.633 50 0 IJAARN Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723296 527087023 /nfs/dbraw/zinc/08/70/23/527087023.db2.gz ZKWINHVSQZJKCG-UHFFFAOYSA-N 0 0 432.343 4.698 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466556 527109038 /nfs/dbraw/zinc/10/90/38/527109038.db2.gz QMJQOLLTWGYRMA-LBPRGKRZSA-N 0 0 439.773 4.500 50 0 IJAARN O=C(Nc1cc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)ccc1F)C1CCCCC1 ZINC000095369427 527128769 /nfs/dbraw/zinc/12/87/69/527128769.db2.gz IIWLLAIASFMDON-OAHLLOKOSA-N 0 0 429.458 4.557 50 0 IJAARN O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012536237 527158264 /nfs/dbraw/zinc/15/82/64/527158264.db2.gz CXRDYMYFOICHDT-BUHFOSPRSA-N 0 0 448.953 4.553 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000012342264 527158832 /nfs/dbraw/zinc/15/88/32/527158832.db2.gz YZXWGAYJJGUHBF-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1)c1ccccc1 ZINC000021705795 527161355 /nfs/dbraw/zinc/16/13/55/527161355.db2.gz FBRUDUZBRZJOIB-QFIPXVFZSA-N 0 0 447.579 4.630 50 0 IJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cn2c3c(cccc3c1=O)CC2 ZINC000033088784 527182798 /nfs/dbraw/zinc/18/27/98/527182798.db2.gz VWEPJBDRGFOWOZ-UHFFFAOYSA-N 0 0 428.875 4.694 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012680550 527202195 /nfs/dbraw/zinc/20/21/95/527202195.db2.gz NWWFEAQIIXZYHW-XMMPIXPASA-N 0 0 431.511 4.856 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 ZINC000035512006 527207176 /nfs/dbraw/zinc/20/71/76/527207176.db2.gz UEZFGJBNSOBVCD-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1 ZINC000021654824 527224313 /nfs/dbraw/zinc/22/43/13/527224313.db2.gz RKWSGGKWJONSAO-UHFFFAOYSA-N 0 0 443.941 4.715 50 0 IJAARN O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000023994287 527262992 /nfs/dbraw/zinc/26/29/92/527262992.db2.gz DFRRGLDXSFHVSI-SSDOTTSWSA-N 0 0 441.096 4.719 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)C(=O)CO2)c1ccc(Cl)cc1 ZINC000035909536 527278246 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O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012933580 527397270 /nfs/dbraw/zinc/39/72/70/527397270.db2.gz WUEJSWNFJJOAEM-NRFANRHFSA-N 0 0 442.544 4.844 50 0 IJAARN Cn1cccc1[C@@H]1CCCN1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012567100 527405121 /nfs/dbraw/zinc/40/51/21/527405121.db2.gz TUOYOQQMMMRICH-FCHUYYIVSA-N 0 0 436.943 4.786 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000013128457 527425703 /nfs/dbraw/zinc/42/57/03/527425703.db2.gz IZHCEQFGDSUKCS-QHCPKHFHSA-N 0 0 426.472 4.520 50 0 IJAARN O=C(N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1)C(Cl)(Cl)Cl ZINC000023427364 527438501 /nfs/dbraw/zinc/43/85/01/527438501.db2.gz MZFBRTAKHSXQNP-UHFFFAOYSA-N 0 0 449.769 4.706 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)nc2ccccc21 ZINC000057291672 527440519 /nfs/dbraw/zinc/44/05/19/527440519.db2.gz RNPDMQKTCBQFMK-UHFFFAOYSA-N 0 0 429.480 4.602 50 0 IJAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)CC1 ZINC000024701578 527454706 /nfs/dbraw/zinc/45/47/06/527454706.db2.gz GTELZEYOWDZYGJ-UHFFFAOYSA-N 0 0 442.544 4.849 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3cccs3)no2)n1Cc1cccs1 ZINC000017200756 527466655 /nfs/dbraw/zinc/46/66/55/527466655.db2.gz AYVIFXHFYJQSPP-UHFFFAOYSA-N 0 0 438.559 4.910 50 0 IJAARN O=c1cc(CSc2nnc(-c3cccc(Cl)c3)o2)nc2sc3c(n21)CCCC3 ZINC000021786897 527481250 /nfs/dbraw/zinc/48/12/50/527481250.db2.gz OFGALZDMKQDHMX-UHFFFAOYSA-N 0 0 430.942 4.631 50 0 IJAARN O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(F)c(Br)c2)no1 ZINC000033300476 527489939 /nfs/dbraw/zinc/48/99/39/527489939.db2.gz TUZVFEKQSOTTMB-UHFFFAOYSA-N 0 0 447.651 4.505 50 0 IJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 ZINC000012169120 527513672 /nfs/dbraw/zinc/51/36/72/527513672.db2.gz KXHJPCUWNUQIFF-UHFFFAOYSA-N 0 0 429.860 4.608 50 0 IJAARN Cc1nn(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717338 527521229 /nfs/dbraw/zinc/52/12/29/527521229.db2.gz YJGQWAPQQYRQSD-UHFFFAOYSA-N 0 0 440.547 4.790 50 0 IJAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2nc3cc(Br)ccc3[nH]2)C1 ZINC000033071265 527521143 /nfs/dbraw/zinc/52/11/43/527521143.db2.gz MKZNNWAWRGTTKK-HNNXBMFYSA-N 0 0 433.394 4.771 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000020892893 527529169 /nfs/dbraw/zinc/52/91/69/527529169.db2.gz ZEPRIIUZGULIAO-GOSISDBHSA-N 0 0 432.318 4.857 50 0 IJAARN O=C(NC1c2ccccc2-c2ccccc21)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000012596324 527544896 /nfs/dbraw/zinc/54/48/96/527544896.db2.gz HGRRVYHRILXLRH-GOSISDBHSA-N 0 0 430.935 4.965 50 0 IJAARN Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@H](c1ccc(Br)cc1)N2 ZINC000012630717 527562523 /nfs/dbraw/zinc/56/25/23/527562523.db2.gz UXVOVXQLKMWCKU-HUUCEWRRSA-N 0 0 449.150 4.532 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(F)c1F)SCC(=O)N2 ZINC000020891296 527571451 /nfs/dbraw/zinc/57/14/51/527571451.db2.gz FDORGNSGPCEPRE-GOSISDBHSA-N 0 0 428.489 4.843 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2cc(C)cc(C)c2)c1S(=O)(=O)c1ccccc1 ZINC000017010532 527576371 /nfs/dbraw/zinc/57/63/71/527576371.db2.gz SNYLNQOPEGWDLL-UHFFFAOYSA-N 0 0 426.538 4.615 50 0 IJAARN OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613169 527600384 /nfs/dbraw/zinc/60/03/84/527600384.db2.gz CLZYVPWFMUHSAU-OAQYLSRUSA-N 0 0 440.440 4.867 50 0 IJAARN CCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 ZINC000005945951 535333928 /nfs/dbraw/zinc/33/39/28/535333928.db2.gz ASNMKSMYCAAREF-UHFFFAOYSA-N 0 0 433.808 4.711 50 0 IJAARN CCOc1ccc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013469189 535750869 /nfs/dbraw/zinc/75/08/69/535750869.db2.gz JMKATAKUZYNJFL-UHFFFAOYSA-N 0 0 444.910 4.672 50 0 IJAARN CCOC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000009531214 535779420 /nfs/dbraw/zinc/77/94/20/535779420.db2.gz UGMIYAUAZXWYQY-UHFFFAOYSA-N 0 0 441.535 4.674 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3OC)[C@@H]2c2ccccc2)cc1 ZINC000009683641 536659193 /nfs/dbraw/zinc/65/91/93/536659193.db2.gz ZHWZUBSGKQAYHW-BVAGGSTKSA-N 0 0 444.531 4.505 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3/C(=C\NC3CCCCCCC3)C2=O)cc1OC ZINC000025784664 536665048 /nfs/dbraw/zinc/66/50/48/536665048.db2.gz ZOTDXHIUPSJXRG-OQKWZONESA-N 0 0 434.536 4.934 50 0 IJAARN O=C(c1nn(-c2ccccc2)c2nc(=O)cc(-c3ccccc3)n12)c1ccc2ccccc2c1 ZINC000000624394 555511684 /nfs/dbraw/zinc/51/16/84/555511684.db2.gz BIZAVDBSYQQDLP-UHFFFAOYSA-N 0 0 442.478 4.931 50 0 IJAARN CCOC(=O)c1c2cc(-c3cccs3)ncn2c(C(=O)c2ccccc2)c1C(=O)OCC ZINC000000624949 555512013 /nfs/dbraw/zinc/51/20/13/555512013.db2.gz KWIJTKLJWDHPSB-UHFFFAOYSA-N 0 0 448.500 4.647 50 0 IJAARN COc1ccc(-c2noc(COc3ccc(Br)cc3Br)n2)cc1 ZINC000000627889 555513415 /nfs/dbraw/zinc/51/34/15/555513415.db2.gz ALEOIKRZJXWNJP-UHFFFAOYSA-N 0 0 440.091 4.849 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000628489 555513797 /nfs/dbraw/zinc/51/37/97/555513797.db2.gz XNOHQGJXTUVSHR-UHFFFAOYSA-N 0 0 429.900 4.961 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000000630954 555514919 /nfs/dbraw/zinc/51/49/19/555514919.db2.gz IWGUZRFEGUIQSV-UHFFFAOYSA-N 0 0 448.466 4.745 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccc(OC)c2)N2NC=NC2=N3)cc1 ZINC000000635914 555516727 /nfs/dbraw/zinc/51/67/27/555516727.db2.gz FPQUAGOGEBQRCM-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1 ZINC000000639477 555517797 /nfs/dbraw/zinc/51/77/97/555517797.db2.gz BZAVZLIIWUDIOW-UHFFFAOYSA-N 0 0 425.293 4.939 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000000638934 555517883 /nfs/dbraw/zinc/51/78/83/555517883.db2.gz INEIOIWGYAIQTF-UHFFFAOYSA-N 0 0 427.456 4.587 50 0 IJAARN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCc2cccnc2)cc1 ZINC000000644212 555519793 /nfs/dbraw/zinc/51/97/93/555519793.db2.gz MAKDANXEUJKBMA-UHFFFAOYSA-N 0 0 430.291 4.579 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000644219 555519846 /nfs/dbraw/zinc/51/98/46/555519846.db2.gz MAATZQMBXJYFQN-ZDUSSCGKSA-N 0 0 427.715 4.808 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(OC)cc4C)c3n2)cc1 ZINC000000649097 555522146 /nfs/dbraw/zinc/52/21/46/555522146.db2.gz FKJBUCWJCHTJOG-UHFFFAOYSA-N 0 0 438.434 4.912 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[C@H](C(C)(C)C)CC2 ZINC000000668464 555529928 /nfs/dbraw/zinc/52/99/28/555529928.db2.gz ATIBYIOEDJAUJT-CQSZACIVSA-N 0 0 431.554 4.955 50 0 IJAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000000669827 555530212 /nfs/dbraw/zinc/53/02/12/555530212.db2.gz DOTLXTWSJSVKTD-UHFFFAOYSA-N 0 0 435.530 4.804 50 0 IJAARN C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O)C(=O)c1ccccc1 ZINC000000670124 555530446 /nfs/dbraw/zinc/53/04/46/555530446.db2.gz BRFYSPMQMUHVTM-CQSZACIVSA-N 0 0 433.847 4.569 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 ZINC000000670452 555530817 /nfs/dbraw/zinc/53/08/17/555530817.db2.gz NGPLIUCTYVZAKE-UHFFFAOYSA-N 0 0 431.517 4.830 50 0 IJAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000673170 555532140 /nfs/dbraw/zinc/53/21/40/555532140.db2.gz XIFQPPCNZLINCO-UHFFFAOYSA-N 0 0 432.457 4.731 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000000673809 555532440 /nfs/dbraw/zinc/53/24/40/555532440.db2.gz QPHVNNAMVSNVNO-UHFFFAOYSA-N 0 0 438.549 4.602 50 0 IJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c(C)c1 ZINC000000673802 555532523 /nfs/dbraw/zinc/53/25/23/555532523.db2.gz QCKWUYBHJMPNCS-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000673929 555532595 /nfs/dbraw/zinc/53/25/95/555532595.db2.gz DIVORLIQHJSYBP-CMPLNLGQSA-N 0 0 430.839 4.781 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000674298 555533069 /nfs/dbraw/zinc/53/30/69/555533069.db2.gz JTHZGKSHNRNWBZ-JSGCOSHPSA-N 0 0 442.800 4.859 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000000674210 555533087 /nfs/dbraw/zinc/53/30/87/555533087.db2.gz ZJUPUUDKNLYUOV-RDJZCZTQSA-N 0 0 436.459 4.544 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2)N1CCCC1 ZINC000000674995 555534111 /nfs/dbraw/zinc/53/41/11/555534111.db2.gz IHEGGJMSSCMLQU-DZGCQCFKSA-N 0 0 443.267 4.542 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Br)o1 ZINC000000676360 555534590 /nfs/dbraw/zinc/53/45/90/555534590.db2.gz QDKXDJJDKVWUHQ-UHFFFAOYSA-N 0 0 436.283 4.818 50 0 IJAARN Cc1cc(C)n2nc(SCc3nnc(SCc4ccccc4Cl)s3)nc2n1 ZINC000000680276 555537163 /nfs/dbraw/zinc/53/71/63/555537163.db2.gz XEBBBFYGXJGWGS-UHFFFAOYSA-N 0 0 435.003 4.831 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000000683404 555538734 /nfs/dbraw/zinc/53/87/34/555538734.db2.gz YFLUNMXDYZDUBK-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccc(C)c1 ZINC000000687341 555540415 /nfs/dbraw/zinc/54/04/15/555540415.db2.gz HIQXCYCETWGSAK-UHFFFAOYSA-N 0 0 449.349 4.906 50 0 IJAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000000692332 555541939 /nfs/dbraw/zinc/54/19/39/555541939.db2.gz CBQMFJSGGPTLSN-UHFFFAOYSA-N 0 0 436.345 4.674 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1cc(C)ccc1NC(=O)c1ccco1 ZINC000000693063 555542296 /nfs/dbraw/zinc/54/22/96/555542296.db2.gz IHKYBQOWNLFGFP-UHFFFAOYSA-N 0 0 429.270 4.864 50 0 IJAARN Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc2c(c1)OCO2 ZINC000000702411 555542953 /nfs/dbraw/zinc/54/29/53/555542953.db2.gz NBSZPOWPIIKGKL-UHFFFAOYSA-N 0 0 429.501 4.853 50 0 IJAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000000703520 555543909 /nfs/dbraw/zinc/54/39/09/555543909.db2.gz ODBRWELMKJAEFD-HSZRJFAPSA-N 0 0 432.545 4.775 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2-c2ccccc2)c1 ZINC000000706000 555544754 /nfs/dbraw/zinc/54/47/54/555544754.db2.gz CCUMBMVWYPLWRI-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4O)c3n2)cc1 ZINC000000711595 555547487 /nfs/dbraw/zinc/54/74/87/555547487.db2.gz DUJDHXWTRZMMOI-UHFFFAOYSA-N 0 0 442.397 4.690 50 0 IJAARN FC(F)(F)c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 ZINC000000721389 555550248 /nfs/dbraw/zinc/55/02/48/555550248.db2.gz SVCMBFSEBSPGGZ-UHFFFAOYSA-N 0 0 425.201 4.841 50 0 IJAARN COC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@@H](C)C2 ZINC000000729934 555552874 /nfs/dbraw/zinc/55/28/74/555552874.db2.gz DXQUBTOPJPBVDJ-SNVBAGLBSA-N 0 0 428.337 4.984 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000000753565 555553755 /nfs/dbraw/zinc/55/37/55/555553755.db2.gz WQNGOJAHHLPOQX-UDWIEESQSA-N 0 0 436.309 4.562 50 0 IJAARN CCOC(=O)COc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(C)=O ZINC000000754022 555553826 /nfs/dbraw/zinc/55/38/26/555553826.db2.gz YLQSFMGQHNLGBV-UHFFFAOYSA-N 0 0 428.282 4.809 50 0 IJAARN COc1ccc(-c2noc(CC(=O)NCc3ccccc3)c2-c2ccc(OC)cc2)cc1 ZINC000000784507 555556087 /nfs/dbraw/zinc/55/60/87/555556087.db2.gz KSOACLDHYWXXRH-UHFFFAOYSA-N 0 0 428.488 4.885 50 0 IJAARN O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000000787660 555556703 /nfs/dbraw/zinc/55/67/03/555556703.db2.gz KMPUXDXYLRETRE-UHFFFAOYSA-N 0 0 425.120 4.801 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc2Cl)cc1 ZINC000000817192 555563150 /nfs/dbraw/zinc/56/31/50/555563150.db2.gz XGMFOEAMJNHFIQ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1OC ZINC000000826519 555565121 /nfs/dbraw/zinc/56/51/21/555565121.db2.gz UHALTWKRTNWEOY-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 ZINC000000857848 555571670 /nfs/dbraw/zinc/57/16/70/555571670.db2.gz AOSHITZSZCKCOW-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865893 555573486 /nfs/dbraw/zinc/57/34/86/555573486.db2.gz FDYAFRSSEFXQOM-WCQYABFASA-N 0 0 441.866 4.583 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000000870337 555575217 /nfs/dbraw/zinc/57/52/17/555575217.db2.gz QYTMMMYZPIZBPF-UHFFFAOYSA-N 0 0 448.569 4.920 50 0 IJAARN O=C(NCc1ccco1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000870088 555575348 /nfs/dbraw/zinc/57/53/48/555575348.db2.gz ZKLJWCCWDOPBON-UHFFFAOYSA-N 0 0 446.528 4.605 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000876328 555576254 /nfs/dbraw/zinc/57/62/54/555576254.db2.gz QHCOTNOZVOTUHX-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000000877930 555576462 /nfs/dbraw/zinc/57/64/62/555576462.db2.gz UZFDBWODWRBOOT-CQSZACIVSA-N 0 0 427.595 4.610 50 0 IJAARN CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000000877526 555576473 /nfs/dbraw/zinc/57/64/73/555576473.db2.gz SQTGUTCRPJDJTF-HNNXBMFYSA-N 0 0 434.550 4.636 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cncc(Br)c1 ZINC000000896533 555580332 /nfs/dbraw/zinc/58/03/32/555580332.db2.gz FNAPFMMWSKCVGJ-UHFFFAOYSA-N 0 0 439.132 4.982 50 0 IJAARN O=C(N(CN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000000910498 555582598 /nfs/dbraw/zinc/58/25/98/555582598.db2.gz AJGKLSQAMDYZNJ-UHFFFAOYSA-N 0 0 440.377 4.628 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000918693 555584069 /nfs/dbraw/zinc/58/40/69/555584069.db2.gz UQRIQCSVYYSEOG-QFBILLFUSA-N 0 0 443.429 4.590 50 0 IJAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@H](C(C)(C)C)C2 ZINC000000920983 555584683 /nfs/dbraw/zinc/58/46/83/555584683.db2.gz FRQYQUIWWPTLAX-KRWDZBQOSA-N 0 0 440.609 4.932 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCOCC2)C1 ZINC000000920997 555584716 /nfs/dbraw/zinc/58/47/16/555584716.db2.gz PXZHIRCJIMUWDR-CQSZACIVSA-N 0 0 432.611 4.685 50 0 IJAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCc1ccc(Cl)cc1Cl ZINC000009633345 555585410 /nfs/dbraw/zinc/58/54/10/555585410.db2.gz IQNJXZMDNCHODM-UHFFFAOYSA-N 0 0 442.513 4.822 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000000944359 555587649 /nfs/dbraw/zinc/58/76/49/555587649.db2.gz ISKZTDFXKCJTTR-SFHVURJKSA-N 0 0 430.295 4.521 50 0 IJAARN CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3cc(OCC(N)=O)ccc3c2=O)cc1 ZINC000000945061 555587907 /nfs/dbraw/zinc/58/79/07/555587907.db2.gz GWTKKMIOGLHIEG-UHFFFAOYSA-N 0 0 435.398 4.766 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000945358 555587932 /nfs/dbraw/zinc/58/79/32/555587932.db2.gz SEZDIETWRFKMEL-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN COC(=O)c1cc(OC(=O)/C=C/c2ccccc2)c2c(c1)Oc1nc3ccccc3nc1O2 ZINC000000984206 555594197 /nfs/dbraw/zinc/59/41/97/555594197.db2.gz PTBFZZDQYQPQRT-VAWYXSNFSA-N 0 0 440.411 4.933 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000000987070 555595112 /nfs/dbraw/zinc/59/51/12/555595112.db2.gz KPBVWMYNNSNSSO-UHFFFAOYSA-N 0 0 427.353 4.666 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2cccs2)c(C(=O)OC(C)C)c1C ZINC000000994694 555598054 /nfs/dbraw/zinc/59/80/54/555598054.db2.gz RDOGQCYQRMMJPK-ZHACJKMWSA-N 0 0 434.583 4.817 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000997734 555599266 /nfs/dbraw/zinc/59/92/66/555599266.db2.gz YKHKTLCRVOYABB-JTQLQIEISA-N 0 0 441.251 4.706 50 0 IJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000000998839 555599596 /nfs/dbraw/zinc/59/95/96/555599596.db2.gz VWQPDIKQUFJNAA-QUCCMNQESA-N 0 0 428.458 4.824 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1Cc1ccccc1 ZINC000009606947 555600770 /nfs/dbraw/zinc/60/07/70/555600770.db2.gz MFZSZIDBTMEGIZ-UHFFFAOYSA-N 0 0 430.577 4.848 50 0 IJAARN CCc1ccccc1-n1ncc(C(=O)Nc2ccc(I)cc2)c1C ZINC000001018246 555603133 /nfs/dbraw/zinc/60/31/33/555603133.db2.gz YDSVAKWOHDHTJY-UHFFFAOYSA-N 0 0 431.277 4.600 50 0 IJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001026537 555604399 /nfs/dbraw/zinc/60/43/99/555604399.db2.gz LGOVYYPKPTWCPS-UHFFFAOYSA-N 0 0 433.464 4.777 50 0 IJAARN C[C@H](c1ccccc1)n1c(=O)[nH]nc1SCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000001034085 555607418 /nfs/dbraw/zinc/60/74/18/555607418.db2.gz LCCRGVDVDLCDMC-OAHLLOKOSA-N 0 0 435.553 4.821 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1Cl ZINC000001049303 555612472 /nfs/dbraw/zinc/61/24/72/555612472.db2.gz CRSZFQVYTZJXKL-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001051722 555613275 /nfs/dbraw/zinc/61/32/75/555613275.db2.gz XDMQFOFJMPRXRG-UHFFFAOYSA-N 0 0 430.501 4.697 50 0 IJAARN CCOc1ccc(N[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001052984 555613956 /nfs/dbraw/zinc/61/39/56/555613956.db2.gz MGLGSAPUSSYHFS-QFIPXVFZSA-N 0 0 430.957 4.870 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 ZINC000001066097 555618416 /nfs/dbraw/zinc/61/84/16/555618416.db2.gz BITIVOJBBLYXSZ-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000001066892 555618778 /nfs/dbraw/zinc/61/87/78/555618778.db2.gz QUTNBLXSEXLGFB-UHFFFAOYSA-N 0 0 446.507 4.569 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000001067207 555618950 /nfs/dbraw/zinc/61/89/50/555618950.db2.gz WPLSTJKTIJZALH-UHFFFAOYSA-N 0 0 429.501 4.741 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000001067881 555619282 /nfs/dbraw/zinc/61/92/82/555619282.db2.gz WEVKAFJNMDBTHH-UHFFFAOYSA-N 0 0 448.482 4.722 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000001067940 555619306 /nfs/dbraw/zinc/61/93/06/555619306.db2.gz PEZVDUHFMOGEAN-HKUYNNGSSA-N 0 0 443.429 4.590 50 0 IJAARN Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NC3=NCCS3)c2c1 ZINC000001068284 555619609 /nfs/dbraw/zinc/61/96/09/555619609.db2.gz ZBTJZTJIHSKETF-UHFFFAOYSA-N 0 0 426.339 4.805 50 0 IJAARN CC[C@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000001072996 555622100 /nfs/dbraw/zinc/62/21/00/555622100.db2.gz HGXUVFLIBUMLOE-ZAQQZEBGSA-N 0 0 446.532 4.877 50 0 IJAARN Cc1ccc(NC(=O)c2cc(Br)ccc2I)c(C)c1 ZINC000001213916 555683343 /nfs/dbraw/zinc/68/33/43/555683343.db2.gz BGEBAOHQDOXMBR-UHFFFAOYSA-N 0 0 430.083 4.923 50 0 IJAARN CC(=O)N1c2ccccc2CCc2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc21 ZINC000001084432 555626561 /nfs/dbraw/zinc/62/65/61/555626561.db2.gz OTPMEKPKRVIHQE-LFIBNONCSA-N 0 0 441.556 4.996 50 0 IJAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000001096576 555628096 /nfs/dbraw/zinc/62/80/96/555628096.db2.gz NIBAGCCDVVVRCI-QFIPXVFZSA-N 0 0 447.491 4.894 50 0 IJAARN CCOC(=O)c1c(NC(=O)CN2c3cccc4cccc(c34)C2=O)sc2c1CCCC2 ZINC000001101128 555628677 /nfs/dbraw/zinc/62/86/77/555628677.db2.gz UHSSFKDWJTWENQ-UHFFFAOYSA-N 0 0 434.517 4.556 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1 ZINC000001110706 555631399 /nfs/dbraw/zinc/63/13/99/555631399.db2.gz FRVZILCHRKPOHR-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000001111397 555631772 /nfs/dbraw/zinc/63/17/72/555631772.db2.gz QKJRMHHLUMVIPD-UHFFFAOYSA-N 0 0 434.348 4.707 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccc(C)c(C)c2)cc1 ZINC000001112245 555632328 /nfs/dbraw/zinc/63/23/28/555632328.db2.gz JQYPIUOLUUXOSA-UHFFFAOYSA-N 0 0 444.503 4.724 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000001114395 555633418 /nfs/dbraw/zinc/63/34/18/555633418.db2.gz NSMZZIOFYWVAKZ-VHSXEESVSA-N 0 0 427.353 4.685 50 0 IJAARN COC(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(=O)OC)c1C ZINC000001114026 555633495 /nfs/dbraw/zinc/63/34/95/555633495.db2.gz QZEKXKIIPAEIKU-UHFFFAOYSA-N 0 0 437.473 4.506 50 0 IJAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)o2)cc1 ZINC000001115434 555634260 /nfs/dbraw/zinc/63/42/60/555634260.db2.gz PPUZXKOBMJOWNP-UHFFFAOYSA-N 0 0 433.917 4.604 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000001115745 555634262 /nfs/dbraw/zinc/63/42/62/555634262.db2.gz SRYNOOGVTACJTR-UHFFFAOYSA-N 0 0 434.989 4.759 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)nn12 ZINC000001116238 555634654 /nfs/dbraw/zinc/63/46/54/555634654.db2.gz CNHBOZTZSUDHBY-UHFFFAOYSA-N 0 0 441.516 4.993 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 ZINC000001117176 555634953 /nfs/dbraw/zinc/63/49/53/555634953.db2.gz XBZMVPQMHSWCCW-UHFFFAOYSA-N 0 0 448.894 4.543 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001118245 555635750 /nfs/dbraw/zinc/63/57/50/555635750.db2.gz YHCUFVZMZMRIJB-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1 ZINC000001118772 555636098 /nfs/dbraw/zinc/63/60/98/555636098.db2.gz QWWUGMFTKGYALG-UHFFFAOYSA-N 0 0 445.544 4.651 50 0 IJAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O ZINC000001119557 555636644 /nfs/dbraw/zinc/63/66/44/555636644.db2.gz UJCZBEPLEMZVEW-UHFFFAOYSA-N 0 0 428.941 4.720 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1 ZINC000001120736 555637636 /nfs/dbraw/zinc/63/76/36/555637636.db2.gz MYZUNVDYSAHZTA-UHFFFAOYSA-N 0 0 434.974 4.500 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)c1 ZINC000001121150 555637929 /nfs/dbraw/zinc/63/79/29/555637929.db2.gz JWDYTFMWGCGLNE-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000001123452 555639067 /nfs/dbraw/zinc/63/90/67/555639067.db2.gz HSHIZRAAEVWDGS-UHFFFAOYSA-N 0 0 439.511 4.875 50 0 IJAARN CCOc1ccc(NC(=O)C(Cc2ccccc2)C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000001129287 555643339 /nfs/dbraw/zinc/64/33/39/555643339.db2.gz RBOMRNUBQJJYQB-UHFFFAOYSA-N 0 0 432.520 4.920 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O ZINC000001136520 555647124 /nfs/dbraw/zinc/64/71/24/555647124.db2.gz VYTHBKQWOUJVPD-UHFFFAOYSA-N 0 0 426.255 4.942 50 0 IJAARN CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1OC(C)C ZINC000001142486 555650939 /nfs/dbraw/zinc/65/09/39/555650939.db2.gz OMNMYIDRMIHWSK-QFIPXVFZSA-N 0 0 439.581 4.612 50 0 IJAARN O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000001147841 555654301 /nfs/dbraw/zinc/65/43/01/555654301.db2.gz DDQQBOGHJQDMSN-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccncc1 ZINC000001148628 555654920 /nfs/dbraw/zinc/65/49/20/555654920.db2.gz NNURZLDNHXGTRP-FQEVSTJZSA-N 0 0 436.309 4.844 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)NCc2ccco2)cc1 ZINC000001154627 555658105 /nfs/dbraw/zinc/65/81/05/555658105.db2.gz GAHWETKBJCYIII-XQNSMLJCSA-N 0 0 432.520 4.673 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Br)s1 ZINC000001157315 555659545 /nfs/dbraw/zinc/65/95/45/555659545.db2.gz TXVWWQSIYGTOSO-NRFANRHFSA-N 0 0 442.334 4.518 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(Cl)cccc2Cl)cc1 ZINC000001158099 555660190 /nfs/dbraw/zinc/66/01/90/555660190.db2.gz QAUZTYLIMUNJFD-GOSISDBHSA-N 0 0 436.364 4.824 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(F)cc2)cc1 ZINC000001168025 555665271 /nfs/dbraw/zinc/66/52/71/555665271.db2.gz FIGRGJIKAVBCRF-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000001171018 555666489 /nfs/dbraw/zinc/66/64/89/555666489.db2.gz GDYFJYLANHVAOW-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000001193998 555676332 /nfs/dbraw/zinc/67/63/32/555676332.db2.gz GTPRKIMCHUDNAT-UHFFFAOYSA-N 0 0 430.913 4.537 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001196515 555676998 /nfs/dbraw/zinc/67/69/98/555676998.db2.gz AFFLGGCVXCOIAZ-UHFFFAOYSA-N 0 0 449.359 4.823 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001198546 555677653 /nfs/dbraw/zinc/67/76/53/555677653.db2.gz FYJHWYBSOOQUEK-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1C ZINC000001202704 555679424 /nfs/dbraw/zinc/67/94/24/555679424.db2.gz NXYRCKCDQGXUDN-RUZDIDTESA-N 0 0 442.515 4.979 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000001204732 555680035 /nfs/dbraw/zinc/68/00/35/555680035.db2.gz QEKZNDSTAGCDIR-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001206128 555680599 /nfs/dbraw/zinc/68/05/99/555680599.db2.gz PPFGBECXHRKYIS-UHFFFAOYSA-N 0 0 448.466 4.924 50 0 IJAARN COc1cccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 ZINC000001243505 555687539 /nfs/dbraw/zinc/68/75/39/555687539.db2.gz MPTKOCJDKIFPLC-UHFFFAOYSA-N 0 0 436.924 4.966 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2F)cc1 ZINC000001410884 555694351 /nfs/dbraw/zinc/69/43/51/555694351.db2.gz STYULZGIMXSMFS-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccc(F)c3)C2=O)cc1 ZINC000001443894 555698350 /nfs/dbraw/zinc/69/83/50/555698350.db2.gz NHGNIHZRRUZUCQ-QFIPXVFZSA-N 0 0 449.457 4.639 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000001446135 555699065 /nfs/dbraw/zinc/69/90/65/555699065.db2.gz NVZBLYSFAATEJH-FCHUYYIVSA-N 0 0 425.843 4.739 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)cc1Cl ZINC000071889613 555726077 /nfs/dbraw/zinc/72/60/77/555726077.db2.gz OYPXSTVSISVBSV-SFHVURJKSA-N 0 0 443.956 4.657 50 0 IJAARN CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 ZINC000002054838 555730048 /nfs/dbraw/zinc/73/00/48/555730048.db2.gz QPIQWDGIVNATFQ-ATVHPVEESA-N 0 0 431.273 4.933 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002085597 555739805 /nfs/dbraw/zinc/73/98/05/555739805.db2.gz SWMUSYWEOLQXRR-GOSISDBHSA-N 0 0 430.917 4.911 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc12 ZINC000002200254 555757456 /nfs/dbraw/zinc/75/74/56/555757456.db2.gz VXJSXNWAVHKKLK-UHFFFAOYSA-N 0 0 426.465 4.689 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000002233072 555760506 /nfs/dbraw/zinc/76/05/06/555760506.db2.gz CODFSPAAEIRRDN-UHFFFAOYSA-N 0 0 428.901 4.872 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 ZINC000002264635 555763701 /nfs/dbraw/zinc/76/37/01/555763701.db2.gz KBLYHJDSZXHAPI-UHFFFAOYSA-N 0 0 427.595 4.728 50 0 IJAARN CCOC(=O)c1c(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000002272499 555764389 /nfs/dbraw/zinc/76/43/89/555764389.db2.gz IHSDVGKWNLSOET-AWEZNQCLSA-N 0 0 441.808 4.684 50 0 IJAARN C[C@@H](NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002311114 555767694 /nfs/dbraw/zinc/76/76/94/555767694.db2.gz CRVWEXHSBABUMU-OAHLLOKOSA-N 0 0 425.467 4.786 50 0 IJAARN O[C@@H](CNc1ccc(I)cc1)Cn1c2ccccc2c2ccccc21 ZINC000002322797 555768553 /nfs/dbraw/zinc/76/85/53/555768553.db2.gz VNRRYUACNGNFLS-KRWDZBQOSA-N 0 0 442.300 4.872 50 0 IJAARN C[C@@H](O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000002323283 555768559 /nfs/dbraw/zinc/76/85/59/555768559.db2.gz ZCGFQXVEVHXCJB-RGYTYGDFSA-N 0 0 436.459 4.911 50 0 IJAARN CCCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1C ZINC000002343852 555770555 /nfs/dbraw/zinc/77/05/55/555770555.db2.gz JCSBHMSIZONHFD-UHFFFAOYSA-N 0 0 436.318 4.801 50 0 IJAARN Cc1ccc(Cn2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002366179 555772651 /nfs/dbraw/zinc/77/26/51/555772651.db2.gz QNPTZTGCDFWMBA-UHFFFAOYSA-N 0 0 427.533 4.515 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)cc1 ZINC000002390711 555775299 /nfs/dbraw/zinc/77/52/99/555775299.db2.gz MUOUACQXWICYFR-UHFFFAOYSA-N 0 0 447.607 4.969 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000002392296 555775325 /nfs/dbraw/zinc/77/53/25/555775325.db2.gz BIDPLDOZBLPQKZ-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)s1 ZINC000002427349 555778008 /nfs/dbraw/zinc/77/80/08/555778008.db2.gz XMVWJPIIEGFRST-IBGZPJMESA-N 0 0 435.480 4.732 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(=O)OCc4ccccc4)c32)cc1 ZINC000002431900 555778200 /nfs/dbraw/zinc/77/82/00/555778200.db2.gz NXHRCIKOHZVAPI-UHFFFAOYSA-N 0 0 430.456 4.899 50 0 biogenic IJAARN Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(Cl)c1 ZINC000002437837 555779031 /nfs/dbraw/zinc/77/90/31/555779031.db2.gz HDGHTTHJVVPUFT-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000002453839 555782347 /nfs/dbraw/zinc/78/23/47/555782347.db2.gz DFPPRRUYVUOELC-UHFFFAOYSA-N 0 0 429.549 4.731 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccc(Br)cc1 ZINC000002488101 555783945 /nfs/dbraw/zinc/78/39/45/555783945.db2.gz MDVYEZQVRMPBKH-UHFFFAOYSA-N 0 0 425.204 4.788 50 0 IJAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3cccnc3)cc2)c1 ZINC000034676010 555794296 /nfs/dbraw/zinc/79/42/96/555794296.db2.gz PNEXLHHLSDOZPP-UHFFFAOYSA-N 0 0 439.515 4.689 50 0 IJAARN COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCC(C)C)cc2)cc1 ZINC000034679665 555798746 /nfs/dbraw/zinc/79/87/46/555798746.db2.gz UBBGWJJXOMGQMQ-UHFFFAOYSA-N 0 0 448.538 4.996 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)NCC1CC1 ZINC000034679727 555799061 /nfs/dbraw/zinc/79/90/61/555799061.db2.gz PHUQYGLYBRWBCC-UHFFFAOYSA-N 0 0 434.486 4.881 50 0 IJAARN O=S(=O)(c1nnn2c1nc(Nc1ccccc1)c1ccccc12)c1ccc(Cl)cc1 ZINC000002692317 555799438 /nfs/dbraw/zinc/79/94/38/555799438.db2.gz OOPYHIXBTDXPHU-UHFFFAOYSA-N 0 0 435.896 4.507 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2)c2ccccc23)c(C)c1 ZINC000002691786 555799449 /nfs/dbraw/zinc/79/94/49/555799449.db2.gz KEQVEODSZRPFKH-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nc(C)cc(C)n1)CCCC2 ZINC000002746283 555808831 /nfs/dbraw/zinc/80/88/31/555808831.db2.gz ARGHGYMQUYXTBC-HNNXBMFYSA-N 0 0 433.599 4.720 50 0 IJAARN Cc1ccc(-n2c3ncn(Cc4ccc(Cl)c(Cl)c4)c3c(=O)n(C(C)C)c2=O)cc1 ZINC000034694759 555809718 /nfs/dbraw/zinc/80/97/18/555809718.db2.gz BYMQLLMKQYDUPC-UHFFFAOYSA-N 0 0 443.334 4.593 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCCN(C(=O)c4ccccc4Cl)CC3)nc2)cc1 ZINC000034680732 555813799 /nfs/dbraw/zinc/81/37/99/555813799.db2.gz GVBOLWNCFJHGQZ-UHFFFAOYSA-N 0 0 448.954 4.648 50 0 IJAARN COc1ccc(O[C@@H]2C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000002796672 555822411 /nfs/dbraw/zinc/82/24/11/555822411.db2.gz CDZFHDZREXPTBF-PKTZIBPZSA-N 0 0 439.895 4.901 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCc1ccccc1 ZINC000002798856 555823725 /nfs/dbraw/zinc/82/37/25/555823725.db2.gz VPPCEWSAKMBYIQ-UHFFFAOYSA-N 0 0 435.446 4.753 50 0 IJAARN O=C(NCc1cccc(F)c1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034709521 555823734 /nfs/dbraw/zinc/82/37/34/555823734.db2.gz UXPQOQFYTBYTQJ-FCHUYYIVSA-N 0 0 434.486 4.527 50 0 IJAARN COc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)c1 ZINC000002819366 555829471 /nfs/dbraw/zinc/82/94/71/555829471.db2.gz DWVNFVQJVAMGTC-FYJGNVAPSA-N 0 0 433.847 4.912 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000002829162 555831716 /nfs/dbraw/zinc/83/17/16/555831716.db2.gz UTRZNXPIVMVEPB-GFCCVEGCSA-N 0 0 439.364 4.705 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 ZINC000002837134 555833752 /nfs/dbraw/zinc/83/37/52/555833752.db2.gz IDANAHZYSAVFNS-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN Cc1ccccc1CN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(C)(=O)=O ZINC000002843442 555836655 /nfs/dbraw/zinc/83/66/55/555836655.db2.gz UMTYLSXVJDNQNP-UHFFFAOYSA-N 0 0 426.582 4.582 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)c1cccc(F)c1 ZINC000002843418 555836669 /nfs/dbraw/zinc/83/66/69/555836669.db2.gz PYSXSYYNLFFHKH-UHFFFAOYSA-N 0 0 444.553 4.523 50 0 IJAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002847731 555837979 /nfs/dbraw/zinc/83/79/79/555837979.db2.gz UTDAWQJGYXSSFL-UHFFFAOYSA-N 0 0 433.460 4.632 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000002846716 555838057 /nfs/dbraw/zinc/83/80/57/555838057.db2.gz CDWLSWYTWNQMOK-UHFFFAOYSA-N 0 0 432.574 4.601 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000002861932 555845093 /nfs/dbraw/zinc/84/50/93/555845093.db2.gz RXFWNBJQOYXXCF-JOCHJYFZSA-N 0 0 447.393 4.545 50 0 IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000002861931 555845132 /nfs/dbraw/zinc/84/51/32/555845132.db2.gz RXFWNBJQOYXXCF-QFIPXVFZSA-N 0 0 447.393 4.545 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000002871340 555849759 /nfs/dbraw/zinc/84/97/59/555849759.db2.gz IBRVBWDBZMPJKN-QFIPXVFZSA-N 0 0 431.419 4.699 50 0 IJAARN COc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 ZINC000002874052 555851053 /nfs/dbraw/zinc/85/10/53/555851053.db2.gz KVDPAMGSRDECJH-MRXNPFEDSA-N 0 0 431.315 4.535 50 0 IJAARN CCCCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O ZINC000002874060 555851156 /nfs/dbraw/zinc/85/11/56/555851156.db2.gz QIHZZKLLKLIEBP-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000002875918 555852265 /nfs/dbraw/zinc/85/22/65/555852265.db2.gz WCVIWRWOZXUAHZ-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000002877235 555852961 /nfs/dbraw/zinc/85/29/61/555852961.db2.gz PYKHEIMPCQLCTQ-WMZOPIPTSA-N 0 0 432.471 4.803 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000002877234 555852978 /nfs/dbraw/zinc/85/29/78/555852978.db2.gz PYKHEIMPCQLCTQ-SJLPKXTDSA-N 0 0 432.471 4.803 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 ZINC000002878092 555853247 /nfs/dbraw/zinc/85/32/47/555853247.db2.gz SLVWLIYDGIPLOT-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O ZINC000002881395 555855655 /nfs/dbraw/zinc/85/56/55/555855655.db2.gz HRSJGGITWWVUII-UHFFFAOYSA-N 0 0 425.699 4.743 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(CSCc3ccccc3Cl)n2C)cc1 ZINC000002882091 555855811 /nfs/dbraw/zinc/85/58/11/555855811.db2.gz RJKQWNPLOXCLFT-UHFFFAOYSA-N 0 0 433.986 4.886 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000002975100 555869964 /nfs/dbraw/zinc/86/99/64/555869964.db2.gz OYRGQVJWNPHYIQ-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000002999306 555877287 /nfs/dbraw/zinc/87/72/87/555877287.db2.gz IBWHERAMRVDXSP-OUKQBFOZSA-N 0 0 438.578 4.792 50 0 IJAARN COc1ccc(CC(=O)Nc2ccccc2N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000034734933 555881081 /nfs/dbraw/zinc/88/10/81/555881081.db2.gz MSGFBCSSXYJHOW-UHFFFAOYSA-N 0 0 429.520 4.709 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003018777 555881150 /nfs/dbraw/zinc/88/11/50/555881150.db2.gz UYPPQVXIBQXKQU-YQORSWRPSA-N 0 0 430.301 4.590 50 0 IJAARN O=C(Cc1cccs1)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@H]1c1ccccc1 ZINC000034739970 555882989 /nfs/dbraw/zinc/88/29/89/555882989.db2.gz REXKYDCVYMIPPR-OFNKIYASSA-N 0 0 436.552 4.726 50 0 IJAARN O=C(Cc1cccs1)N1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccccc1 ZINC000034739971 555883043 /nfs/dbraw/zinc/88/30/43/555883043.db2.gz REXKYDCVYMIPPR-NFBKMPQASA-N 0 0 436.552 4.726 50 0 IJAARN COc1cc(CN2CCCN(c3ccccc3NC(=O)CC(C)(C)C)C2=O)cc(OC)c1 ZINC000034735234 555885178 /nfs/dbraw/zinc/88/51/78/555885178.db2.gz AEUDRBMVIIIQMU-UHFFFAOYSA-N 0 0 439.556 4.911 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000034735328 555885544 /nfs/dbraw/zinc/88/55/44/555885544.db2.gz AGPRIZDPGLGSDD-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN O=C(NCc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000034737030 555888016 /nfs/dbraw/zinc/88/80/16/555888016.db2.gz JHWQMXZZZVYHCS-UHFFFAOYSA-N 0 0 432.499 4.980 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000003142357 555891607 /nfs/dbraw/zinc/89/16/07/555891607.db2.gz LXIZSCYFRGZRIS-AWEZNQCLSA-N 0 0 437.179 4.753 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3cn4cc(-c5cccc(Cl)c5)ccc4n3)CC2)c1 ZINC000034831039 555912335 /nfs/dbraw/zinc/91/23/35/555912335.db2.gz BFDMAJHFAMGNIZ-UHFFFAOYSA-N 0 0 446.938 4.626 50 0 IJAARN CCCn1c2ccccc2nc1N1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000034907119 555920586 /nfs/dbraw/zinc/92/05/86/555920586.db2.gz UOBNQEGUZSWTAK-UHFFFAOYSA-N 0 0 441.373 4.608 50 0 IJAARN O=C(NCc1cccnc1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906532 555920679 /nfs/dbraw/zinc/92/06/79/555920679.db2.gz GGDWHFHYTHVFGD-UHFFFAOYSA-N 0 0 431.584 4.544 50 0 IJAARN Cc1ccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)nc2-c2ccco2)cc1 ZINC000034911431 555923602 /nfs/dbraw/zinc/92/36/02/555923602.db2.gz OWTPSMSDMRCNSO-UHFFFAOYSA-N 0 0 426.398 4.785 50 0 IJAARN CCCCC(=O)N1CCN(C[C@@H](OCc2cccc(Cl)c2)c2cccc(OC)c2)CC1 ZINC000034915453 555930351 /nfs/dbraw/zinc/93/03/51/555930351.db2.gz XMVKLKNOXHUEDT-XMMPIXPASA-N 0 0 445.003 4.941 50 0 IJAARN CCOc1cccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1 ZINC000003640729 555943042 /nfs/dbraw/zinc/94/30/42/555943042.db2.gz WNRKJXBLFSLPNS-KRWDZBQOSA-N 0 0 445.342 4.925 50 0 IJAARN O=C(NCCC1=CCCCC1)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670213 555945780 /nfs/dbraw/zinc/94/57/80/555945780.db2.gz YDNIQQXDJXTGLM-HSZRJFAPSA-N 0 0 425.916 4.544 50 0 IJAARN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1Cl ZINC000004100510 555962153 /nfs/dbraw/zinc/96/21/53/555962153.db2.gz IJNHXVWTRCYNQH-UHFFFAOYSA-N 0 0 437.567 4.566 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3c(F)cc(F)cc3c2=O)cc1 ZINC000002687711 556119029 /nfs/dbraw/zinc/11/90/29/556119029.db2.gz BDVNQWABPBTLHH-UHFFFAOYSA-N 0 0 449.453 4.966 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002703876 556122962 /nfs/dbraw/zinc/12/29/62/556122962.db2.gz KRDSILAYKFPDNZ-HXUWFJFHSA-N 0 0 448.500 4.633 50 0 IJAARN COc1ccc(OC)c([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000002707417 556124133 /nfs/dbraw/zinc/12/41/33/556124133.db2.gz BUSVAYFGAINJGG-XZOQPEGZSA-N 0 0 444.516 4.570 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000002711687 556125050 /nfs/dbraw/zinc/12/50/50/556125050.db2.gz DZEBOUMLXDYIHI-UHFFFAOYSA-N 0 0 434.892 4.653 50 0 IJAARN Cc1cc(C)cc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4[nH]c3c2=O)c1 ZINC000002720692 556127085 /nfs/dbraw/zinc/12/70/85/556127085.db2.gz BOGWGEITUKDDRW-UHFFFAOYSA-N 0 0 446.576 4.588 50 0 IJAARN CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cc(C)cc(C)c1 ZINC000002718304 556131630 /nfs/dbraw/zinc/13/16/30/556131630.db2.gz GPPFKNGUZFYKLF-JOCHJYFZSA-N 0 0 442.625 4.973 50 0 IJAARN C[C@@H](Sc1ccc(Br)cc1)c1nc(CCn2nnc3ccccc32)no1 ZINC000097377784 556134203 /nfs/dbraw/zinc/13/42/03/556134203.db2.gz VAEXPQKEXDZOMA-GFCCVEGCSA-N 0 0 430.331 4.673 50 0 IJAARN C[C@H](Sc1ccc(Br)cc1)c1nc(CCn2nnc3ccccc32)no1 ZINC000097377783 556134274 /nfs/dbraw/zinc/13/42/74/556134274.db2.gz VAEXPQKEXDZOMA-LBPRGKRZSA-N 0 0 430.331 4.673 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002764814 556136037 /nfs/dbraw/zinc/13/60/37/556136037.db2.gz JUADOTBCPFNJOS-UHFFFAOYSA-N 0 0 426.428 4.654 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)CCCCC2 ZINC000002767542 556139729 /nfs/dbraw/zinc/13/97/29/556139729.db2.gz HHOLVBDVMYXMRD-UHFFFAOYSA-N 0 0 425.506 4.941 50 0 IJAARN COc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1 ZINC000002798790 556142117 /nfs/dbraw/zinc/14/21/17/556142117.db2.gz HFCYTRFBQQRHNP-UHFFFAOYSA-N 0 0 436.693 4.596 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccccc1C ZINC000002986900 556153614 /nfs/dbraw/zinc/15/36/14/556153614.db2.gz BJCTVURBBAIMHD-LTGZKZEYSA-N 0 0 429.472 4.806 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000008386863 556162453 /nfs/dbraw/zinc/16/24/53/556162453.db2.gz KFTYKLZKJWUPMW-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1ccc(C(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)Cl)cc32)cc1OC ZINC000008397819 556164503 /nfs/dbraw/zinc/16/45/03/556164503.db2.gz YWZSIMMUSSPMJA-UHFFFAOYSA-N 0 0 438.858 4.634 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000008398114 556164800 /nfs/dbraw/zinc/16/48/00/556164800.db2.gz ZOWCJGLMSUAKQE-DEOSSOPVSA-N 0 0 435.589 4.701 50 0 IJAARN COc1ccc(O[C@H](C(=O)O[C@H]2C(=O)N(c3ccccc3)CC2(C)C)c2ccccc2)cc1 ZINC000008411934 556167039 /nfs/dbraw/zinc/16/70/39/556167039.db2.gz ZLLKQFMSZOXQPQ-ZEQRLZLVSA-N 0 0 445.515 4.800 50 0 IJAARN COc1ccc(O[C@@H](C(=O)O[C@H]2C(=O)N(c3ccccc3)CC2(C)C)c2ccccc2)cc1 ZINC000008411930 556167097 /nfs/dbraw/zinc/16/70/97/556167097.db2.gz ZLLKQFMSZOXQPQ-RPWUZVMVSA-N 0 0 445.515 4.800 50 0 IJAARN CCSc1nc2ccccc2n1C(=O)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008431356 556171041 /nfs/dbraw/zinc/17/10/41/556171041.db2.gz VXDVXDCJYTXZOQ-UHFFFAOYSA-N 0 0 429.501 4.628 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 ZINC000008440432 556176483 /nfs/dbraw/zinc/17/64/83/556176483.db2.gz IOYMEZYNSLEHHO-IZHYLOQSSA-N 0 0 449.601 4.748 50 0 IJAARN O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1 ZINC000008442759 556177764 /nfs/dbraw/zinc/17/77/64/556177764.db2.gz ISMVRGZRXPUIDH-UHFFFAOYSA-N 0 0 435.471 4.987 50 0 IJAARN Fc1cc(F)cc(-c2c(-c3nnnn3-c3ccc(Cl)cc3)cnn2-c2ccccn2)c1 ZINC000008445486 556179899 /nfs/dbraw/zinc/17/98/99/556179899.db2.gz PVCOPPBWIRYSOM-UHFFFAOYSA-N 0 0 435.825 4.509 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1 ZINC000008450354 556181284 /nfs/dbraw/zinc/18/12/84/556181284.db2.gz MRPIDCRYJNRTGN-UHFFFAOYSA-N 0 0 447.969 4.867 50 0 IJAARN COc1ccc(-c2c3c(nc4sc5c(nnn(-c6ccc(C)cc6)c5=O)c42)CCC3)cc1 ZINC000008450776 556181599 /nfs/dbraw/zinc/18/15/99/556181599.db2.gz RSCVVNBRLCNQDF-UHFFFAOYSA-N 0 0 440.528 4.863 50 0 IJAARN COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 ZINC000008451339 556182262 /nfs/dbraw/zinc/18/22/62/556182262.db2.gz RTWOBXIMRXPFIN-LICLKQGHSA-N 0 0 433.327 4.872 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000008590877 556188916 /nfs/dbraw/zinc/18/89/16/556188916.db2.gz UWSDJRGUNBDTOX-UHFFFAOYSA-N 0 0 428.517 4.868 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3cc(C)cc(C)c3)C2=O)c1 ZINC000008594957 556190283 /nfs/dbraw/zinc/19/02/83/556190283.db2.gz ZWJXLRSMROYALF-AREMUKBSSA-N 0 0 444.556 4.792 50 0 IJAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000008606524 556191657 /nfs/dbraw/zinc/19/16/57/556191657.db2.gz WJUUHRHDGJFIEO-UHFFFAOYSA-N 0 0 427.346 4.574 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O ZINC000008738100 556205137 /nfs/dbraw/zinc/20/51/37/556205137.db2.gz LZRAJLUVLCIBIN-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000008739918 556206192 /nfs/dbraw/zinc/20/61/92/556206192.db2.gz SAKWQXRIFVXULW-GJZGRUSLSA-N 0 0 440.638 4.628 50 0 IJAARN Cc1oc2cc(OCC(=O)N3CCc4ccccc4C3)ccc2c(=O)c1Oc1ccccc1 ZINC000008745482 556208983 /nfs/dbraw/zinc/20/89/83/556208983.db2.gz WAHKKCOULHDMOI-UHFFFAOYSA-N 0 0 441.483 4.857 50 0 IJAARN COc1ccc(-n2cnc3c(sc4nnc(C)c(/C=C\c5ccccc5)c43)c2=O)cc1 ZINC000097464731 556214251 /nfs/dbraw/zinc/21/42/51/556214251.db2.gz QXHUYCHJAIKZET-JYRVWZFOSA-N 0 0 426.501 4.878 50 0 IJAARN COc1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)c(OC)c1 ZINC000008844038 556226933 /nfs/dbraw/zinc/22/69/33/556226933.db2.gz HLWDOOJITGQFJO-UHFFFAOYSA-N 0 0 427.460 4.786 50 0 IJAARN CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cccc(OC)c2o1 ZINC000008884963 556230712 /nfs/dbraw/zinc/23/07/12/556230712.db2.gz KINPVPDHPBZYIY-ZDUSSCGKSA-N 0 0 447.520 4.810 50 0 IJAARN O=c1c2cc(I)ccc2nc(/C=C/c2ccco2)n1-c1ccccc1 ZINC000009008380 556240166 /nfs/dbraw/zinc/24/01/66/556240166.db2.gz XWJXORYAZNROGP-PKNBQFBNSA-N 0 0 440.240 4.754 50 0 IJAARN COc1cccc(-n2c(=O)c3c(nc2SCCO)-c2ccccc2CC32CCCCC2)c1 ZINC000009159823 556249781 /nfs/dbraw/zinc/24/97/81/556249781.db2.gz ZNLLWNFBDVVOTO-UHFFFAOYSA-N 0 0 448.588 4.751 50 0 biogenic IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009161439 556249909 /nfs/dbraw/zinc/24/99/09/556249909.db2.gz WTYFUZZYLUJYRH-NRFANRHFSA-N 0 0 432.863 4.908 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009197081 556255194 /nfs/dbraw/zinc/25/51/94/556255194.db2.gz MOVYQEULLHWWQP-VQTJNVASSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)c4ccccc4)cc3C2=O)c(C)c1 ZINC000009202540 556257735 /nfs/dbraw/zinc/25/77/35/556257735.db2.gz DFZGFZGPQSOTFZ-KRWDZBQOSA-N 0 0 427.456 4.532 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1C ZINC000009225790 556259741 /nfs/dbraw/zinc/25/97/41/556259741.db2.gz XXPVQGSXLCMYSG-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294978 556274584 /nfs/dbraw/zinc/27/45/84/556274584.db2.gz OXUAGARAZZCIIP-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009295100 556274891 /nfs/dbraw/zinc/27/48/91/556274891.db2.gz SSEWMMNPNQGRPC-WOJBJXKFSA-N 0 0 441.988 4.844 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000009307867 556277539 /nfs/dbraw/zinc/27/75/39/556277539.db2.gz INXXWVHOERNTJN-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1ccccc1F ZINC000009308092 556277855 /nfs/dbraw/zinc/27/78/55/556277855.db2.gz HWTJACYBKIFWKQ-UHFFFAOYSA-N 0 0 426.448 4.595 50 0 IJAARN CCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3ccc(C)cc3nc21 ZINC000009308412 556277881 /nfs/dbraw/zinc/27/78/81/556277881.db2.gz HOUBOJBFZUIPKQ-UHFFFAOYSA-N 0 0 434.496 4.581 50 0 IJAARN CCCC[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21 ZINC000009333972 556283200 /nfs/dbraw/zinc/28/32/00/556283200.db2.gz MAZBSPJVUDEZSL-XMMPIXPASA-N 0 0 425.598 4.579 50 0 IJAARN COc1ccccc1-c1nc(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 ZINC000013721555 556290661 /nfs/dbraw/zinc/29/06/61/556290661.db2.gz GIRPNDKAOPPHAX-UHFFFAOYSA-N 0 0 442.968 4.525 50 0 IJAARN COc1cccc(C(=O)Nc2c(S(=O)(=O)c3ccccc3)c(C)c(C)n2C(C)C)c1 ZINC000013725488 556292553 /nfs/dbraw/zinc/29/25/53/556292553.db2.gz MDOVTNJHFAQGGY-UHFFFAOYSA-N 0 0 426.538 4.780 50 0 IJAARN Brc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)cc1 ZINC000013727587 556293898 /nfs/dbraw/zinc/29/38/98/556293898.db2.gz KTCIBXLFYONMOP-UHFFFAOYSA-N 0 0 426.299 4.676 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 ZINC000009526540 556296975 /nfs/dbraw/zinc/29/69/75/556296975.db2.gz FYRWTBSSIQQKBE-UHFFFAOYSA-N 0 0 442.610 4.687 50 0 IJAARN COc1ccc2[nH]cc(CCNC(=O)CCn3ccc4ccc(Br)cc43)c2c1 ZINC000013734645 556297144 /nfs/dbraw/zinc/29/71/44/556297144.db2.gz HJAZIHMVXROPDI-UHFFFAOYSA-N 0 0 440.341 4.643 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000032744886 556300440 /nfs/dbraw/zinc/30/04/40/556300440.db2.gz DVPTYFOCWZISNE-HUUCEWRRSA-N 0 0 429.538 4.542 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000009639993 556304261 /nfs/dbraw/zinc/30/42/61/556304261.db2.gz KBPSOKLYGQCUHL-UHFFFAOYSA-N 0 0 437.304 4.906 50 0 IJAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778760 556308233 /nfs/dbraw/zinc/30/82/33/556308233.db2.gz IHCWICSXMPBRIK-AGILITTLSA-N 0 0 428.960 4.655 50 0 IJAARN O=c1/c(=C\c2cc(Cl)ccc2OCc2ccccc2F)sc2nc3ccccc3n12 ZINC000013785893 556308905 /nfs/dbraw/zinc/30/89/05/556308905.db2.gz CDDDNUUWUKSUCL-CIAFOILYSA-N 0 0 436.895 4.828 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)Nc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809411 556311576 /nfs/dbraw/zinc/31/15/76/556311576.db2.gz DTAPHQYAZUTCIG-UHFFFAOYSA-N 0 0 433.895 4.876 50 0 in-vitro IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(C)cc2C)c2ccccc23)cc1 ZINC000009849146 556313412 /nfs/dbraw/zinc/31/34/12/556313412.db2.gz PSZUFIHNGFXQCO-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCCc1ccc([C@H](NC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)cc1 ZINC000032745058 556314395 /nfs/dbraw/zinc/31/43/95/556314395.db2.gz NQVUBHLJZPDCSN-VWLOTQADSA-N 0 0 434.561 4.722 50 0 IJAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCCc3ccccc3)n2n1 ZINC000009882064 556315039 /nfs/dbraw/zinc/31/50/39/556315039.db2.gz SVZPJCDUJGRCGJ-UHFFFAOYSA-N 0 0 447.546 4.833 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 ZINC000009892412 556315600 /nfs/dbraw/zinc/31/56/00/556315600.db2.gz ODJAFHIRCJAQJP-QHCPKHFHSA-N 0 0 449.551 4.892 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1csc(Nc2ccccc2)n1 ZINC000032747421 556316046 /nfs/dbraw/zinc/31/60/46/556316046.db2.gz VIECMLXFRDHVBS-UHFFFAOYSA-N 0 0 429.885 4.582 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000013838850 556317207 /nfs/dbraw/zinc/31/72/07/556317207.db2.gz SOOKBYYKVDZHBQ-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000009934136 556317928 /nfs/dbraw/zinc/31/79/28/556317928.db2.gz ODDMBFUFZPYDGI-JOCHJYFZSA-N 0 0 431.467 4.500 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)s1 ZINC000013842684 556317947 /nfs/dbraw/zinc/31/79/47/556317947.db2.gz JLNIAZAACCBQAT-QFIPXVFZSA-N 0 0 429.900 4.856 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000009934287 556318213 /nfs/dbraw/zinc/31/82/13/556318213.db2.gz WUZGKWWXHRITTC-NRFANRHFSA-N 0 0 433.533 4.677 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000013843208 556318269 /nfs/dbraw/zinc/31/82/69/556318269.db2.gz UFKMVAPDRJAGJC-UHFFFAOYSA-N 0 0 434.315 4.587 50 0 IJAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013847351 556319493 /nfs/dbraw/zinc/31/94/93/556319493.db2.gz QFAULVWRRCHHBE-AVRDEDQJSA-N 0 0 432.520 4.982 50 0 IJAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000010003856 556320445 /nfs/dbraw/zinc/32/04/45/556320445.db2.gz YETVOAJDJJYOSQ-UHFFFAOYSA-N 0 0 431.473 4.659 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1cccc(C)c1 ZINC000013895211 556328637 /nfs/dbraw/zinc/32/86/37/556328637.db2.gz OSOIPTNHWSQLND-IWIPYMOSSA-N 0 0 442.540 4.743 50 0 IJAARN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cccc(OCc2ccccc2)c1 ZINC000010313155 556330514 /nfs/dbraw/zinc/33/05/14/556330514.db2.gz NGGPQTPAXLDHBZ-UHFFFAOYSA-N 0 0 437.499 4.843 50 0 IJAARN CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000013936255 556336304 /nfs/dbraw/zinc/33/63/04/556336304.db2.gz HOFKHGFWLDSBOJ-UHFFFAOYSA-N 0 0 439.562 4.807 50 0 IJAARN O=C(c1ccccc1-c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000010975962 556338760 /nfs/dbraw/zinc/33/87/60/556338760.db2.gz BDWWXBOPEUITSX-UHFFFAOYSA-N 0 0 428.576 4.854 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000013943736 556341056 /nfs/dbraw/zinc/34/10/56/556341056.db2.gz LBIHWEODLQDWSX-CPNJWEJPSA-N 0 0 436.851 4.874 50 0 IJAARN CC(C)CC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000011662211 556343645 /nfs/dbraw/zinc/34/36/45/556343645.db2.gz ZQPYJCUELILNNE-HXUWFJFHSA-N 0 0 431.536 4.627 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000013958922 556346392 /nfs/dbraw/zinc/34/63/92/556346392.db2.gz AHQREMMHDQZCFZ-UHFFFAOYSA-N 0 0 429.383 4.870 50 0 IJAARN Cc1c(Br)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1C ZINC000013958898 556346416 /nfs/dbraw/zinc/34/64/16/556346416.db2.gz JOXUCQBBGUZCFG-UHFFFAOYSA-N 0 0 435.391 4.668 50 0 IJAARN COc1ccccc1OC1CCN(Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000011753909 556348779 /nfs/dbraw/zinc/34/87/79/556348779.db2.gz IITJRPCJTUJGJX-UHFFFAOYSA-N 0 0 438.524 4.719 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1c(OC)cccc1OC)C[C@H](C(C)(C)C)CC2 ZINC000013963949 556349552 /nfs/dbraw/zinc/34/95/52/556349552.db2.gz LLMPSUPZGYBNLV-CYBMUJFWSA-N 0 0 431.554 4.955 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccnc3SC)C2)cc1Cl ZINC000011767439 556349809 /nfs/dbraw/zinc/34/98/09/556349809.db2.gz VMDAQGOZUQQKLA-HNNXBMFYSA-N 0 0 447.988 4.737 50 0 IJAARN CS(=O)(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl ZINC000032787157 556349978 /nfs/dbraw/zinc/34/99/78/556349978.db2.gz RQHGMFWFDVLQGV-UHFFFAOYSA-N 0 0 428.897 4.588 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)c1 ZINC000011775683 556350967 /nfs/dbraw/zinc/35/09/67/556350967.db2.gz UOUPXFFAMQHFEZ-VWLOTQADSA-N 0 0 440.499 4.751 50 0 IJAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1COc1ccccc1 ZINC000013986947 556352110 /nfs/dbraw/zinc/35/21/10/556352110.db2.gz OEUVMEZKGFATPI-UHFFFAOYSA-N 0 0 428.532 4.822 50 0 IJAARN C/C(=C\c1ccccc1)CN(C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000011783909 556352142 /nfs/dbraw/zinc/35/21/42/556352142.db2.gz LNUFMSBICYVURL-NBVRZTHBSA-N 0 0 443.016 4.931 50 0 IJAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@@H](CNC(=O)c2ccc4ccccc4c2)C3)n1 ZINC000011784185 556352474 /nfs/dbraw/zinc/35/24/74/556352474.db2.gz NUSKDZBMPMJXCH-HXUWFJFHSA-N 0 0 427.479 4.786 50 0 IJAARN CCOc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000014009391 556354089 /nfs/dbraw/zinc/35/40/89/556354089.db2.gz AUMWDCKVSCAVGO-BOPFTXTBSA-N 0 0 445.313 4.732 50 0 IJAARN COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccccc1 ZINC000014009331 556354164 /nfs/dbraw/zinc/35/41/64/556354164.db2.gz UXIOCAYYRXEZKM-HYARGMPZSA-N 0 0 428.488 4.676 50 0 IJAARN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000014010210 556354793 /nfs/dbraw/zinc/35/47/93/556354793.db2.gz YVHPQQUNZJXPFI-CCOVPTLTSA-N 0 0 432.879 4.758 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)cc1 ZINC000014015938 556355507 /nfs/dbraw/zinc/35/55/07/556355507.db2.gz MTKMYFWQPVYEFT-INIZCTEOSA-N 0 0 435.549 4.834 50 0 IJAARN Clc1ccccc1CN1CCO[C@@H](CSc2nnc(NCc3ccccc3)s2)C1 ZINC000014070200 556360784 /nfs/dbraw/zinc/36/07/84/556360784.db2.gz GSSIDKMQVWVOFP-GOSISDBHSA-N 0 0 447.029 4.797 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)Nc1cc(-c2ccccc2)nc2ccccc21 ZINC000032801905 556365106 /nfs/dbraw/zinc/36/51/06/556365106.db2.gz YZXOCYDTKQEWNT-UHFFFAOYSA-N 0 0 426.501 4.702 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000014094482 556366470 /nfs/dbraw/zinc/36/64/70/556366470.db2.gz XZCAFPOCXQVFCU-UHFFFAOYSA-N 0 0 430.895 4.852 50 0 IJAARN Cc1cc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)nc2ccccc12 ZINC000014094944 556366955 /nfs/dbraw/zinc/36/69/55/556366955.db2.gz WIEHHSDMEDLRGE-UHFFFAOYSA-N 0 0 431.517 4.797 50 0 IJAARN CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000014109170 556368811 /nfs/dbraw/zinc/36/88/11/556368811.db2.gz UVFMMKRTZUVGOC-UHFFFAOYSA-N 0 0 442.928 4.584 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cs1 ZINC000014121955 556372180 /nfs/dbraw/zinc/37/21/80/556372180.db2.gz OYGSSHIOSONXJO-UHFFFAOYSA-N 0 0 449.576 4.587 50 0 IJAARN O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014138940 556375777 /nfs/dbraw/zinc/37/57/77/556375777.db2.gz UYYFOVAEKWYIRK-KRWDZBQOSA-N 0 0 426.563 4.913 50 0 IJAARN C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCCC1=CCCCC1 ZINC000014137667 556375907 /nfs/dbraw/zinc/37/59/07/556375907.db2.gz GWBNLEDINZJMHE-ZDUSSCGKSA-N 0 0 436.375 4.986 50 0 IJAARN Cc1c(C(=O)NCCCc2ccncc2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000011913108 556375990 /nfs/dbraw/zinc/37/59/90/556375990.db2.gz OLFCUFCHEVLCER-HNNXBMFYSA-N 0 0 437.594 4.992 50 0 IJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000014141359 556376620 /nfs/dbraw/zinc/37/66/20/556376620.db2.gz SZJUBJSSBBEMMI-QHCPKHFHSA-N 0 0 425.488 4.802 50 0 IJAARN CCn1ccnc1CN(C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000011936456 556378851 /nfs/dbraw/zinc/37/88/51/556378851.db2.gz YGSXWIJEVZLBDP-UHFFFAOYSA-N 0 0 433.531 4.844 50 0 IJAARN COc1cccc(-c2nnc(SCc3nnc(-c4cc5c(s4)CCCC5)o3)n2C)c1 ZINC000014169123 556380971 /nfs/dbraw/zinc/38/09/71/556380971.db2.gz WBXXVPAVDMMEQG-UHFFFAOYSA-N 0 0 439.566 4.773 50 0 IJAARN O=C1Nc2ccc(Br)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000011990377 556383916 /nfs/dbraw/zinc/38/39/16/556383916.db2.gz HGFLNNYLVXKBDN-REWPJTCUSA-N 0 0 446.304 4.798 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC12CC3CC(CC(C3)C1)C2 ZINC000012000192 556385626 /nfs/dbraw/zinc/38/56/26/556385626.db2.gz UPQMSDRXQWLYPU-DNOZHDGYSA-N 0 0 430.592 4.896 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC1C2CC3CC(C2)CC1C3 ZINC000012041820 556391149 /nfs/dbraw/zinc/39/11/49/556391149.db2.gz NMTUQFMNHIJWFG-LCLHJVMLSA-N 0 0 430.592 4.752 50 0 IJAARN Clc1ccccc1OCc1nnc(SC[C@H]2COc3ccccc3O2)n1C1CC1 ZINC000014201374 556391730 /nfs/dbraw/zinc/39/17/30/556391730.db2.gz ONLBWVQGBVNYIK-OAHLLOKOSA-N 0 0 429.929 4.778 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000014201760 556392361 /nfs/dbraw/zinc/39/23/61/556392361.db2.gz QNFWYQCQVZFIHW-IBGZPJMESA-N 0 0 436.606 4.649 50 0 IJAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C)C/C3=C\c2ccccc2)CC1 ZINC000014210273 556393078 /nfs/dbraw/zinc/39/30/78/556393078.db2.gz ANDQAIGGQILDPC-HXTJDARSSA-N 0 0 439.559 4.662 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCSc1ccc(Br)cc1 ZINC000014228161 556395716 /nfs/dbraw/zinc/39/57/16/556395716.db2.gz ANJWEVHQYJKHBN-UHFFFAOYSA-N 0 0 444.398 4.703 50 0 IJAARN CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032814212 556399421 /nfs/dbraw/zinc/39/94/21/556399421.db2.gz OVHTXOOXOYQJSV-UHFFFAOYSA-N 0 0 432.895 4.780 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000014239052 556400629 /nfs/dbraw/zinc/40/06/29/556400629.db2.gz VCRJFAQVRLSXOH-SANMLTNESA-N 0 0 449.982 4.733 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(OC)cc4C)cc3)n2)cc1 ZINC000032578518 556405279 /nfs/dbraw/zinc/40/52/79/556405279.db2.gz CZKVOQRYRJSYEF-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCSc3ccc(F)c(F)c3)n2)cc1 ZINC000014246170 556406046 /nfs/dbraw/zinc/40/60/46/556406046.db2.gz IDKUYEFSLBOBSM-UHFFFAOYSA-N 0 0 447.532 4.845 50 0 IJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)n1 ZINC000032578912 556406100 /nfs/dbraw/zinc/40/61/00/556406100.db2.gz XEFMECAFDCESRR-UHFFFAOYSA-N 0 0 434.265 4.779 50 0 IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@H](NC(=O)c2ccccc2)C(C)C)cc1 ZINC000012615890 556408576 /nfs/dbraw/zinc/40/85/76/556408576.db2.gz WMVXQZKARWXFOV-XMMPIXPASA-N 0 0 441.531 4.998 50 0 IJAARN CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000014250198 556408567 /nfs/dbraw/zinc/40/85/67/556408567.db2.gz KLSICHWMMQUAAB-NLFFAJNJSA-N 0 0 448.592 4.884 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CCSc2ccccc21 ZINC000014250473 556408782 /nfs/dbraw/zinc/40/87/82/556408782.db2.gz BXMRYYRVXKCKEN-CXAGYDPISA-N 0 0 438.496 4.862 50 0 IJAARN CC(C)(C)c1nc2cc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccc2[nH]1 ZINC000032826900 556411124 /nfs/dbraw/zinc/41/11/24/556411124.db2.gz MOSXBNOADPVZED-UHFFFAOYSA-N 0 0 425.489 4.780 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccccc2)s1 ZINC000032624701 556411409 /nfs/dbraw/zinc/41/14/09/556411409.db2.gz XMHWHAWBPHUTJC-KRWDZBQOSA-N 0 0 432.442 4.505 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 ZINC000032673235 556415055 /nfs/dbraw/zinc/41/50/55/556415055.db2.gz PGQIFMXNTLTFMU-UHFFFAOYSA-N 0 0 438.915 4.624 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000032674786 556415531 /nfs/dbraw/zinc/41/55/31/556415531.db2.gz CKEWUCVBAIHVMF-UHFFFAOYSA-N 0 0 438.446 4.775 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000014427860 556416034 /nfs/dbraw/zinc/41/60/34/556416034.db2.gz JREXAHQWJRCZBY-UHFFFAOYSA-N 0 0 428.488 4.615 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n(C2CC2)c1C ZINC000032830978 556417041 /nfs/dbraw/zinc/41/70/41/556417041.db2.gz HYHGQDYYYCPCSA-QGZVFWFLSA-N 0 0 426.567 4.959 50 0 IJAARN Cc1cccn2c(=O)cc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)nc12 ZINC000032835732 556417790 /nfs/dbraw/zinc/41/77/90/556417790.db2.gz YEDXUTUJGQRYBH-UHFFFAOYSA-N 0 0 445.573 4.664 50 0 IJAARN CC(=O)N(c1nc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1)c1ccccc1 ZINC000032668030 556418230 /nfs/dbraw/zinc/41/82/30/556418230.db2.gz YKPCEBNVYRVTNR-UHFFFAOYSA-N 0 0 435.530 4.690 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)Cc2cccc(C(F)(F)F)c2)cs1 ZINC000032838906 556419063 /nfs/dbraw/zinc/41/90/63/556419063.db2.gz PQNWJKDZXXTLLH-UHFFFAOYSA-N 0 0 448.466 4.937 50 0 IJAARN CCOc1cc2ccccc2cc1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 ZINC000012974919 556420948 /nfs/dbraw/zinc/42/09/48/556420948.db2.gz SOZRMWHKTZWRSW-UHFFFAOYSA-N 0 0 425.488 4.816 50 0 IJAARN COc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000012978088 556422797 /nfs/dbraw/zinc/42/27/97/556422797.db2.gz BNJLCLJAPCHTOO-QFIPXVFZSA-N 0 0 426.310 4.742 50 0 IJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012980779 556424223 /nfs/dbraw/zinc/42/42/23/556424223.db2.gz MOHLZOMFCAOBSI-UWVGGRQHSA-N 0 0 446.857 4.899 50 0 IJAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000012981452 556424467 /nfs/dbraw/zinc/42/44/67/556424467.db2.gz QMXFQFSIPXFLBL-LJQANCHMSA-N 0 0 445.357 4.694 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2c(F)cccc2Cl)cs1 ZINC000012985744 556426611 /nfs/dbraw/zinc/42/66/11/556426611.db2.gz AYVUYMJKZHGBEB-UHFFFAOYSA-N 0 0 429.948 4.932 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cs1 ZINC000032845093 556429224 /nfs/dbraw/zinc/42/92/24/556429224.db2.gz RTOWWAPWIYGLHZ-QHCPKHFHSA-N 0 0 433.558 4.637 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cc(C)ccc1C)CC2 ZINC000012995260 556430623 /nfs/dbraw/zinc/43/06/23/556430623.db2.gz OAMCPVWCUJRAGO-VWLOTQADSA-N 0 0 436.577 4.968 50 0 IJAARN O=C(CN1CC=C(c2ccc(O)cc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000032851111 556431747 /nfs/dbraw/zinc/43/17/47/556431747.db2.gz NCXQYXBPKNJFDC-OAQYLSRUSA-N 0 0 449.601 4.982 50 0 IJAARN CCc1ccc(-c2nc(C)c(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)s2)cc1 ZINC000014678707 556431929 /nfs/dbraw/zinc/43/19/29/556431929.db2.gz FEPKGHWDJUZDJA-UHFFFAOYSA-N 0 0 445.470 4.672 50 0 IJAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(SCc2cccnc2)cc1 ZINC000032857488 556433889 /nfs/dbraw/zinc/43/38/89/556433889.db2.gz GYVPFWGCMSQHBL-UHFFFAOYSA-N 0 0 435.593 4.645 50 0 IJAARN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000027851708 556434180 /nfs/dbraw/zinc/43/41/80/556434180.db2.gz QLLQIDQXIUUBEC-UONOGXRCSA-N 0 0 438.471 4.855 50 0 IJAARN COc1cc(CNC(=O)COCc2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000013004058 556434420 /nfs/dbraw/zinc/43/44/20/556434420.db2.gz OABYWFMIRXZNNJ-UHFFFAOYSA-N 0 0 448.544 4.717 50 0 IJAARN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCO[C@@H](c2ccccc2)C1 ZINC000027914563 556435249 /nfs/dbraw/zinc/43/52/49/556435249.db2.gz FHXXBITYJHIXBG-GOSISDBHSA-N 0 0 435.833 4.758 50 0 IJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000014710964 556435489 /nfs/dbraw/zinc/43/54/89/556435489.db2.gz DRBTZZWLKJXCED-UHFFFAOYSA-N 0 0 433.461 4.540 50 0 IJAARN O=c1c2ccccc2nc(SCCCO)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000013010342 556435774 /nfs/dbraw/zinc/43/57/74/556435774.db2.gz FWERAGHPFUOCOF-UHFFFAOYSA-N 0 0 448.388 4.898 50 0 IJAARN Cc1cc(C)c2nc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc(C)c2c1 ZINC000013014283 556437082 /nfs/dbraw/zinc/43/70/82/556437082.db2.gz PGVJTQIHFCSIKA-OAQYLSRUSA-N 0 0 433.621 4.985 50 0 IJAARN COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000028224813 556446251 /nfs/dbraw/zinc/44/62/51/556446251.db2.gz ISHFLELOWZHZIA-UHFFFAOYSA-N 0 0 425.491 4.978 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000013041396 556447503 /nfs/dbraw/zinc/44/75/03/556447503.db2.gz BTOLFGLASBZMBN-HSZRJFAPSA-N 0 0 443.952 4.972 50 0 IJAARN CCN(CC)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1Cl ZINC000028288950 556448871 /nfs/dbraw/zinc/44/88/71/556448871.db2.gz IVSHRILGUQHHHH-GOSISDBHSA-N 0 0 433.335 4.913 50 0 IJAARN CCCCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)cc1OC ZINC000028290284 556449544 /nfs/dbraw/zinc/44/95/44/556449544.db2.gz VYZRDLAMFWDXAT-NRFANRHFSA-N 0 0 434.602 4.646 50 0 IJAARN CCOC(=O)c1oc2ccccc2c1CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013062234 556450765 /nfs/dbraw/zinc/45/07/65/556450765.db2.gz ZKCFLQQLQIIIKC-UHFFFAOYSA-N 0 0 435.307 4.987 50 0 IJAARN FC(F)(F)c1cccc(C2(c3nnc([C@H]4COc5ccccc5O4)o3)CCOCC2)c1 ZINC000072273530 556452353 /nfs/dbraw/zinc/45/23/53/556452353.db2.gz AHVKNKNREKQYEX-GOSISDBHSA-N 0 0 432.398 4.697 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(SCC(=O)c3ccc(C)cc3C)s2)o1 ZINC000013097377 556457862 /nfs/dbraw/zinc/45/78/62/556457862.db2.gz PMXDGQSIVHLBKN-UHFFFAOYSA-N 0 0 434.564 4.802 50 0 IJAARN COC(=O)c1ccc(COc2ccc([C@H]3C[C@H](c4ccccc4)Nc4ncnn43)cc2)cc1 ZINC000013097410 556458327 /nfs/dbraw/zinc/45/83/27/556458327.db2.gz MIOVSTFUOCAKEG-DNQXCXABSA-N 0 0 440.503 4.790 50 0 IJAARN Nc1n[nH]c(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 ZINC000013108076 556461761 /nfs/dbraw/zinc/46/17/61/556461761.db2.gz RNKKPDBJAUVRFD-ZDUSSCGKSA-N 0 0 427.839 4.531 50 0 IJAARN Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000028916480 556463852 /nfs/dbraw/zinc/46/38/52/556463852.db2.gz ZLAVADDYAMQHHR-OAQYLSRUSA-N 0 0 448.526 4.640 50 0 IJAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CCC(Cc2ccccc2)CC1 ZINC000014966728 556465686 /nfs/dbraw/zinc/46/56/86/556465686.db2.gz CAWRAVBYNCEPEE-UHFFFAOYSA-N 0 0 427.504 4.897 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000029145957 556468590 /nfs/dbraw/zinc/46/85/90/556468590.db2.gz SDTZYEQYPLXYEM-HSZRJFAPSA-N 0 0 439.987 4.663 50 0 IJAARN Cc1ccc(C)c(-n2c(SCCN3CCOC3=O)nnc2-c2ccccc2Cl)c1 ZINC000029256332 556470891 /nfs/dbraw/zinc/47/08/91/556470891.db2.gz XJOLXSYNBJDFRX-UHFFFAOYSA-N 0 0 428.945 4.749 50 0 IJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000029319106 556472342 /nfs/dbraw/zinc/47/23/42/556472342.db2.gz IORWKHVFAYSINF-UHFFFAOYSA-N 0 0 443.326 4.971 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]3CN(C(=O)CCOc4ccccc4)CC[C@@H]32)cc1 ZINC000014987430 556473281 /nfs/dbraw/zinc/47/32/81/556473281.db2.gz FZLCSFRWTVQFNR-RDGATRHJSA-N 0 0 448.607 4.906 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cccnc1SCc1ccc(F)cc1)CC2 ZINC000072283519 556474353 /nfs/dbraw/zinc/47/43/53/556474353.db2.gz DSRKKAHENHCJTL-UHFFFAOYSA-N 0 0 438.524 4.729 50 0 IJAARN O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCN(c2nccs2)CC1 ZINC000029600623 556478639 /nfs/dbraw/zinc/47/86/39/556478639.db2.gz DMPZEJJSVLXYGW-UHFFFAOYSA-N 0 0 434.496 4.567 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032873939 556481879 /nfs/dbraw/zinc/48/18/79/556481879.db2.gz OGJSFNYLAMZTPO-UHFFFAOYSA-N 0 0 430.508 4.592 50 0 IJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072290226 556485780 /nfs/dbraw/zinc/48/57/80/556485780.db2.gz SHBMFDRUQWKYAH-JOCHJYFZSA-N 0 0 448.954 4.763 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc2)n1 ZINC000013141753 556486982 /nfs/dbraw/zinc/48/69/82/556486982.db2.gz JKONMNGHCDVLDB-QGZVFWFLSA-N 0 0 446.532 4.797 50 0 IJAARN COc1cccc(-c2nc(CC(=O)OCc3cc(=O)oc4cc(C)c(C)cc34)cs2)c1 ZINC000013148639 556490075 /nfs/dbraw/zinc/49/00/75/556490075.db2.gz NSWUUNFJAGJSKB-UHFFFAOYSA-N 0 0 435.501 4.828 50 0 IJAARN CCCCc1nc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)c[nH]1 ZINC000015065558 556492493 /nfs/dbraw/zinc/49/24/93/556492493.db2.gz XGZNLNGDEFQOJQ-QHCPKHFHSA-N 0 0 433.556 4.933 50 0 IJAARN COc1cc(OC)c(C2=CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)c(OC)c1 ZINC000011063544 556493566 /nfs/dbraw/zinc/49/35/66/556493566.db2.gz HMISCWSTUPYLDE-AWEZNQCLSA-N 0 0 427.526 4.674 50 0 IJAARN CCc1cccc2c(C(=O)[C@H](Sc3nnnn3C[C@@H]3CCCO3)c3ccccc3)c[nH]c21 ZINC000013163934 556495115 /nfs/dbraw/zinc/49/51/15/556495115.db2.gz XEDJIPGIKYRRQX-FDDCHVKYSA-N 0 0 447.564 4.612 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000013164534 556496777 /nfs/dbraw/zinc/49/67/77/556496777.db2.gz JOQNDEBHUKIZMD-LJQANCHMSA-N 0 0 444.491 4.808 50 0 IJAARN CN(C/C=C/c1ccccc1)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000015072706 556497104 /nfs/dbraw/zinc/49/71/04/556497104.db2.gz RAVFSCBNXLIWFF-UXBLZVDNSA-N 0 0 428.989 4.540 50 0 IJAARN Cc1sc2ncn(CC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1 ZINC000013164757 556497112 /nfs/dbraw/zinc/49/71/12/556497112.db2.gz HQDJERZCOHCBPP-OAQYLSRUSA-N 0 0 443.572 4.969 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)c1ccccc1 ZINC000013164897 556497704 /nfs/dbraw/zinc/49/77/04/556497704.db2.gz BZGCKIVKAUHLJM-NLFFAJNJSA-N 0 0 434.561 4.562 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 ZINC000013165056 556497951 /nfs/dbraw/zinc/49/79/51/556497951.db2.gz ZVYJHKPVIYMIDV-LBPRGKRZSA-N 0 0 446.326 4.821 50 0 IJAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000015074059 556498059 /nfs/dbraw/zinc/49/80/59/556498059.db2.gz SGYBWORHYDSBEG-QFIPXVFZSA-N 0 0 438.421 4.663 50 0 IJAARN FC(F)(F)c1nc2ccccc2c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)n1 ZINC000030795307 556506219 /nfs/dbraw/zinc/50/62/19/556506219.db2.gz OYNIVJMRFHCROB-GFCCVEGCSA-N 0 0 446.483 4.741 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000015171563 556507915 /nfs/dbraw/zinc/50/79/15/556507915.db2.gz OROACBLUELYVJO-UHFFFAOYSA-N 0 0 436.659 4.900 50 0 IJAARN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1c(C)cc(C)c(C(C)=O)c1C ZINC000032883555 556509621 /nfs/dbraw/zinc/50/96/21/556509621.db2.gz LVCKRLDHXAVRJF-UHFFFAOYSA-N 0 0 445.610 4.514 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NC(=O)NC1CCCC1 ZINC000013527717 556512662 /nfs/dbraw/zinc/51/26/62/556512662.db2.gz MSSYOUNXEQPCFG-UHFFFAOYSA-N 0 0 442.972 4.599 50 0 IJAARN COc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)NCc2ccco2)cc1 ZINC000013534325 556512948 /nfs/dbraw/zinc/51/29/48/556512948.db2.gz XNKZENPZAIIERI-JLPGSUDCSA-N 0 0 426.472 4.529 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1OC ZINC000032895151 556514587 /nfs/dbraw/zinc/51/45/87/556514587.db2.gz RDOUIYUCGVVACT-RDTXWAMCSA-N 0 0 434.330 4.597 50 0 IJAARN Cc1noc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2F)CC[C@H](C)C4)n1 ZINC000032895098 556514659 /nfs/dbraw/zinc/51/46/59/556514659.db2.gz KUYGVYHABQHQMV-NSHDSACASA-N 0 0 442.541 4.695 50 0 IJAARN O=C(c1cccc(Br)c1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000013549972 556514864 /nfs/dbraw/zinc/51/48/64/556514864.db2.gz OVZQQHTYDUPHLY-INIZCTEOSA-N 0 0 447.638 4.712 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC ZINC000032895192 556514960 /nfs/dbraw/zinc/51/49/60/556514960.db2.gz UJRGZGLQZRKFRX-NRFANRHFSA-N 0 0 435.520 4.723 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1)c1ccco1 ZINC000032898787 556516849 /nfs/dbraw/zinc/51/68/49/556516849.db2.gz QRLRUKKVBBDBPT-INIZCTEOSA-N 0 0 438.505 4.732 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955164 556517974 /nfs/dbraw/zinc/51/79/74/556517974.db2.gz OOMPZUHYNKAQKK-UHFFFAOYSA-N 0 0 431.323 4.894 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000015307372 556518351 /nfs/dbraw/zinc/51/83/51/556518351.db2.gz HBJSJJPYDZPGDI-NRFANRHFSA-N 0 0 449.576 4.597 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000013568958 556521143 /nfs/dbraw/zinc/52/11/43/556521143.db2.gz KXGRNDOGBVSZTN-JTQLQIEISA-N 0 0 434.308 4.566 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000015367489 556523405 /nfs/dbraw/zinc/52/34/05/556523405.db2.gz PSTCAVMJLGHAEM-INIZCTEOSA-N 0 0 437.927 4.796 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000013576471 556526219 /nfs/dbraw/zinc/52/62/19/556526219.db2.gz JOKROAQISFSOKN-LLVKDONJSA-N 0 0 449.878 4.684 50 0 IJAARN COc1cc(-c2nn(CN(C)[C@H]3CCCc4ccccc43)c(=S)o2)cc(OC)c1OC ZINC000032899415 556530752 /nfs/dbraw/zinc/53/07/52/556530752.db2.gz SDVHCPGHTAAIBK-SFHVURJKSA-N 0 0 441.553 4.865 50 0 IJAARN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032902050 556538675 /nfs/dbraw/zinc/53/86/75/556538675.db2.gz OUIPJXWUMGURFX-MAUKXSAKSA-N 0 0 425.960 4.620 50 0 IJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000015634672 556539317 /nfs/dbraw/zinc/53/93/17/556539317.db2.gz SDMCIDQKVYUJNZ-REWPJTCUSA-N 0 0 446.304 4.798 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000015659795 556541509 /nfs/dbraw/zinc/54/15/09/556541509.db2.gz DXZIVWGWBQAVOY-UHFFFAOYSA-N 0 0 433.744 4.806 50 0 IJAARN O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc2ccccc21 ZINC000032581080 556541915 /nfs/dbraw/zinc/54/19/15/556541915.db2.gz VTCGAQNQKZQAPE-UHFFFAOYSA-N 0 0 438.512 4.848 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)CSc3nc4c(cc(Cl)cc4Cl)[nH]3)ccc21 ZINC000032724105 556547996 /nfs/dbraw/zinc/54/79/96/556547996.db2.gz KACKJACTUCIRCR-UHFFFAOYSA-N 0 0 435.336 4.510 50 0 IJAARN CCCOc1ccc(CNC(=O)CCc2ccc3nc(NC(=O)CC)sc3c2)cc1 ZINC000032959489 556549727 /nfs/dbraw/zinc/54/97/27/556549727.db2.gz XCCHJWGTQKOBCV-UHFFFAOYSA-N 0 0 425.554 4.683 50 0 IJAARN CON(C)S(=O)(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000072305120 556549937 /nfs/dbraw/zinc/54/99/37/556549937.db2.gz XQWJJTKQCRZAEJ-UHFFFAOYSA-N 0 0 446.912 4.567 50 0 IJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)c(F)c1 ZINC000033048675 556553632 /nfs/dbraw/zinc/55/36/32/556553632.db2.gz KCADJBBGXUOUOV-UHFFFAOYSA-N 0 0 431.284 4.819 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccccc1C ZINC000015821325 556553626 /nfs/dbraw/zinc/55/36/26/556553626.db2.gz WFDUBAFNOFOGBX-YVLHZVERSA-N 0 0 447.354 4.874 50 0 IJAARN CC[C@H](C)NC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000033115134 556554686 /nfs/dbraw/zinc/55/46/86/556554686.db2.gz QZXNUFGFWCOLHR-FQEVSTJZSA-N 0 0 444.579 4.696 50 0 IJAARN O=C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000015836906 556555566 /nfs/dbraw/zinc/55/55/66/556555566.db2.gz MSNVVXVREKYSKI-UHFFFAOYSA-N 0 0 426.243 4.815 50 0 IJAARN Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000072305857 556556498 /nfs/dbraw/zinc/55/64/98/556556498.db2.gz ADLWSBDOFIXUBA-NSHDSACASA-N 0 0 432.908 4.893 50 0 IJAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCCCOc1cccc(C)c1C ZINC000015857247 556557971 /nfs/dbraw/zinc/55/79/71/556557971.db2.gz KAXXROGPPJOLMQ-STZFKDTASA-N 0 0 427.522 4.874 50 0 IJAARN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274545 556558424 /nfs/dbraw/zinc/55/84/24/556558424.db2.gz VODOOMZEROIZRJ-GOSISDBHSA-N 0 0 428.598 4.632 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274585 556558642 /nfs/dbraw/zinc/55/86/42/556558642.db2.gz NIOKWJKWWYIJJU-UHFFFAOYSA-N 0 0 440.609 4.875 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c(C)c1 ZINC000033274670 556558651 /nfs/dbraw/zinc/55/86/51/556558651.db2.gz JORRWCXHNHKWBO-UHFFFAOYSA-N 0 0 440.609 4.831 50 0 IJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)o1 ZINC000015860438 556558664 /nfs/dbraw/zinc/55/86/64/556558664.db2.gz YIZPSIAFIIQJCR-SFHVURJKSA-N 0 0 428.916 4.613 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1 ZINC000033274667 556558796 /nfs/dbraw/zinc/55/87/96/556558796.db2.gz ZUISVKLXFYOVDQ-UHFFFAOYSA-N 0 0 440.609 4.831 50 0 IJAARN Cc1ccc(F)cc1NC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 ZINC000015869226 556559982 /nfs/dbraw/zinc/55/99/82/556559982.db2.gz KVGGUYIATQUXDT-UHFFFAOYSA-N 0 0 437.475 4.794 50 0 IJAARN Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)s2)cc1Cl ZINC000032907115 556561556 /nfs/dbraw/zinc/56/15/56/556561556.db2.gz JKGWOZAMDFMCQW-MRXNPFEDSA-N 0 0 443.956 4.780 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1SCC(F)(F)F ZINC000032907918 556563866 /nfs/dbraw/zinc/56/38/66/556563866.db2.gz MOCACYLHBCITHX-UHFFFAOYSA-N 0 0 445.894 4.503 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000072308199 556564685 /nfs/dbraw/zinc/56/46/85/556564685.db2.gz QFHDBCCERPLQLG-DOTOQJQBSA-N 0 0 425.920 4.505 50 0 IJAARN COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc1 ZINC000015947313 556568079 /nfs/dbraw/zinc/56/80/79/556568079.db2.gz KSIHBDUIWAKGBP-NRFANRHFSA-N 0 0 433.533 4.522 50 0 IJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000015976981 556570641 /nfs/dbraw/zinc/57/06/41/556570641.db2.gz XVZUSTOPCFWBJV-UHFFFAOYSA-N 0 0 426.847 4.620 50 0 IJAARN Cc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2N2CCOCC2)c1 ZINC000002860516 556573150 /nfs/dbraw/zinc/57/31/50/556573150.db2.gz XFMFTZQHXBYPGT-UHFFFAOYSA-N 0 0 449.938 4.990 50 0 IJAARN O=C(c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000865825 556573522 /nfs/dbraw/zinc/57/35/22/556573522.db2.gz KQMIMACSJDBGQK-ONGXEEELSA-N 0 0 449.296 4.603 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000016029274 556576772 /nfs/dbraw/zinc/57/67/72/556576772.db2.gz HHZPWASWTFPLEC-UHFFFAOYSA-N 0 0 440.952 4.648 50 0 IJAARN Cc1ncc(CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)n1-c1ccccc1 ZINC000072309887 556577632 /nfs/dbraw/zinc/57/76/32/556577632.db2.gz OABPBXTUNYOOAW-UHFFFAOYSA-N 0 0 425.492 4.755 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000034812952 556583087 /nfs/dbraw/zinc/58/30/87/556583087.db2.gz KHSQDAKLSRQAHR-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCCCC1)c1ccccc1 ZINC000016115766 556584177 /nfs/dbraw/zinc/58/41/77/556584177.db2.gz QNWULPADUFTVIW-CAPFRKAQSA-N 0 0 427.342 4.623 50 0 IJAARN O=C(NCCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000016192528 556588749 /nfs/dbraw/zinc/58/87/49/556588749.db2.gz DGAJTVUTYSXZNF-OQKWZONESA-N 0 0 449.348 4.579 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1 ZINC000016193241 556588994 /nfs/dbraw/zinc/58/89/94/556588994.db2.gz GBKNCVRBNDKRMQ-UHFFFAOYSA-N 0 0 438.281 4.978 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1OC ZINC000032971559 556589269 /nfs/dbraw/zinc/58/92/69/556589269.db2.gz RQHRNUCYNOSPAZ-UHFFFAOYSA-N 0 0 434.521 4.882 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000016263155 556595380 /nfs/dbraw/zinc/59/53/80/556595380.db2.gz MFFANVJKNZVUQV-GOSISDBHSA-N 0 0 426.904 4.856 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC3CCCCC3)cc2)cc1 ZINC000016310495 556599286 /nfs/dbraw/zinc/59/92/86/556599286.db2.gz LWIKAIZARUVOEL-UHFFFAOYSA-N 0 0 432.611 4.592 50 0 IJAARN CCc1ccc([C@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NC)cc1 ZINC000032977672 556600652 /nfs/dbraw/zinc/60/06/52/556600652.db2.gz LASSSNRHIYENSQ-DEOSSOPVSA-N 0 0 425.536 4.778 50 0 IJAARN O=C(COc1ccccc1)Nc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1 ZINC000016361869 556602914 /nfs/dbraw/zinc/60/29/14/556602914.db2.gz UHXDBCZRFAMIQE-UHFFFAOYSA-N 0 0 428.532 4.946 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(OC)c1 ZINC000016382432 556603830 /nfs/dbraw/zinc/60/38/30/556603830.db2.gz MMCWBWFFCHILHC-KRWDZBQOSA-N 0 0 440.874 4.734 50 0 IJAARN O=C(Nc1ccc(I)cc1Cl)c1ccc(Br)cc1 ZINC000037502036 556604274 /nfs/dbraw/zinc/60/42/74/556604274.db2.gz GZMTWIGXZDSWHL-UHFFFAOYSA-N 0 0 436.474 4.959 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000032985820 556605305 /nfs/dbraw/zinc/60/53/05/556605305.db2.gz DYAXTRXLQXSPFL-UHFFFAOYSA-N 0 0 426.472 4.999 50 0 IJAARN O=C(Cc1cccs1)Nc1nn(Cc2c(F)cccc2Cl)cc1Br ZINC000016400345 556605542 /nfs/dbraw/zinc/60/55/42/556605542.db2.gz IKUOKOIORFMIGZ-UHFFFAOYSA-N 0 0 428.714 4.729 50 0 IJAARN C[C@H](NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000032995193 556610304 /nfs/dbraw/zinc/61/03/04/556610304.db2.gz DEVMNZUUTJIMHQ-AWEZNQCLSA-N 0 0 428.945 4.644 50 0 IJAARN CN(C)c1ccc(C(=S)N2CCN(C(=S)Nc3cccc4ccccc43)CC2)cc1 ZINC000013496921 556614586 /nfs/dbraw/zinc/61/45/86/556614586.db2.gz HGCFGHDMWOYPIE-UHFFFAOYSA-N 0 0 434.634 4.596 50 0 IJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(Cl)cc2F)c3=O)cc1 ZINC000038651689 556615079 /nfs/dbraw/zinc/61/50/79/556615079.db2.gz QWOCEEUMERTHCX-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN O=C(Nc1cccc(F)c1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998811 556626303 /nfs/dbraw/zinc/62/63/03/556626303.db2.gz MFUMRWQBZRYNCK-UHFFFAOYSA-N 0 0 435.455 4.914 50 0 IJAARN CC(C)CCNC(=O)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998911 556626775 /nfs/dbraw/zinc/62/67/75/556626775.db2.gz UILLWLDFYMTANX-UHFFFAOYSA-N 0 0 427.957 4.813 50 0 IJAARN COc1cccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)c1 ZINC000032998971 556626950 /nfs/dbraw/zinc/62/69/50/556626950.db2.gz CDRPBEFMYXEHBH-UHFFFAOYSA-N 0 0 443.528 4.953 50 0 IJAARN CC(=O)CC[C@H]1C(=O)c2c(O)cc(O[C@@H](C)CCCc3ccccc3)cc2N(C=O)[C@@H]1C ZINC000039335233 556627603 /nfs/dbraw/zinc/62/76/03/556627603.db2.gz RJCHLQZXSWIIAI-NNMXDRDESA-N 0 0 437.536 4.715 50 0 IJAARN Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(C(=O)Nc4nccs4)cc3)c2)n1 ZINC000060299992 556628024 /nfs/dbraw/zinc/62/80/24/556628024.db2.gz NUHFEKIJQDLKPK-UHFFFAOYSA-N 0 0 431.521 4.509 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1 ZINC000033768250 556631393 /nfs/dbraw/zinc/63/13/93/556631393.db2.gz PASTVECVGSRMTR-UHFFFAOYSA-N 0 0 432.564 4.958 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000097938675 556635564 /nfs/dbraw/zinc/63/55/64/556635564.db2.gz YLFSVRHWCQWONP-NRFANRHFSA-N 0 0 426.520 4.513 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000016749760 556636859 /nfs/dbraw/zinc/63/68/59/556636859.db2.gz SFQPSBJEJMAMBL-DEOSSOPVSA-N 0 0 441.483 4.685 50 0 IJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000016753282 556638530 /nfs/dbraw/zinc/63/85/30/556638530.db2.gz YJYDBNMPKNIQRF-YEJXKQKISA-N 0 0 444.318 4.813 50 0 IJAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037542573 556639304 /nfs/dbraw/zinc/63/93/04/556639304.db2.gz AVVHNNHUEBIFFC-UHFFFAOYSA-N 0 0 426.339 4.839 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Cl)c(Cl)c1)N(CCO)C3=O ZINC000016806470 556644140 /nfs/dbraw/zinc/64/41/40/556644140.db2.gz UUOQMAFIRZFCBC-QGZVFWFLSA-N 0 0 438.694 4.599 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)[nH]c1Cc1ccccc1 ZINC000016833509 556645216 /nfs/dbraw/zinc/64/52/16/556645216.db2.gz SRDFOYHKNCHOFN-MRXNPFEDSA-N 0 0 434.565 4.553 50 0 IJAARN Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NCCC(C)C)ccc3CCN2C(=O)C2CC2)c1 ZINC000037604997 556645516 /nfs/dbraw/zinc/64/55/16/556645516.db2.gz QPHVUQMZCLNUSD-FQRUVTKNSA-N 0 0 448.607 4.809 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)N(CC)CC ZINC000037603142 556646699 /nfs/dbraw/zinc/64/66/99/556646699.db2.gz GDPKCYNXBRZPFH-FTJBHMTQSA-N 0 0 448.607 4.905 50 0 IJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccccc1COCc1ccccc1)C(C)C ZINC000032925093 556649699 /nfs/dbraw/zinc/64/96/99/556649699.db2.gz AEXOZMXYIFMJGG-AREMUKBSSA-N 0 0 444.575 4.783 50 0 IJAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011744085 556649804 /nfs/dbraw/zinc/64/98/04/556649804.db2.gz YNHFFACERBRGOK-HKUYNNGSSA-N 0 0 433.552 4.627 50 0 IJAARN CCc1ccc(NC(=O)CCn2cnc3c(c(C)c(C)n3-c3cccc(F)c3)c2=O)cc1 ZINC000032999215 556652662 /nfs/dbraw/zinc/65/26/62/556652662.db2.gz UIIIDIYNLLMKAY-UHFFFAOYSA-N 0 0 432.499 4.534 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000038654050 556653795 /nfs/dbraw/zinc/65/37/95/556653795.db2.gz YIYJDRPLKIOYIR-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CCOc1cc(/C=C2/N=C(SCC)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O ZINC000097653915 556655573 /nfs/dbraw/zinc/65/55/73/556655573.db2.gz AVYUQFJSRJGAOZ-LFIBNONCSA-N 0 0 434.464 4.889 50 0 IJAARN COc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)n2)cc1Cl ZINC000011809820 556658209 /nfs/dbraw/zinc/65/82/09/556658209.db2.gz RDVNWXBSKJGELV-CQSZACIVSA-N 0 0 435.958 4.740 50 0 IJAARN CCn1cc([C@@H](C)NC(=S)Nc2sc(-c3ccccc3)cc2C(=O)OC)c(C)n1 ZINC000017096104 556659781 /nfs/dbraw/zinc/65/97/81/556659781.db2.gz KVVGMVLBTMJLDI-CYBMUJFWSA-N 0 0 428.583 4.774 50 0 IJAARN Cn1ccc(-c2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)n1 ZINC000017096858 556660728 /nfs/dbraw/zinc/66/07/28/556660728.db2.gz BJTYQERUOQUTOT-OAQYLSRUSA-N 0 0 430.471 4.964 50 0 IJAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)[C@H]1C ZINC000248077381 556661127 /nfs/dbraw/zinc/66/11/27/556661127.db2.gz HTHXJFYEDCSYAT-BIENJYKASA-N 0 0 438.952 4.834 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(-c3noc(-c4ccc(C)cc4)n3)cc2OC)cc1 ZINC000033013161 556662563 /nfs/dbraw/zinc/66/25/63/556662563.db2.gz PCMQHTRYDKSIRD-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1cc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc(OC)c1OC ZINC000011852813 556662605 /nfs/dbraw/zinc/66/26/05/556662605.db2.gz PJXJZNALRVJTLQ-UHFFFAOYSA-N 0 0 447.563 4.906 50 0 IJAARN O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)OCCOc1ccccc1 ZINC000033014001 556664021 /nfs/dbraw/zinc/66/40/21/556664021.db2.gz XJVZSJFJRIZPJW-UHFFFAOYSA-N 0 0 436.508 4.938 50 0 IJAARN Cc1ccccc1OC(=O)COC(=O)CSc1nc2ccccc2n1Cc1ccccc1 ZINC000033013901 556664079 /nfs/dbraw/zinc/66/40/79/556664079.db2.gz TYDYRNHDHNMIEX-UHFFFAOYSA-N 0 0 446.528 4.634 50 0 IJAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3oc2=O)cc1 ZINC000011866193 556665980 /nfs/dbraw/zinc/66/59/80/556665980.db2.gz QBCQPAPEGRAPIH-UHFFFAOYSA-N 0 0 430.412 4.725 50 0 IJAARN CC[C@@H](C)c1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)cc1 ZINC000017101765 556666233 /nfs/dbraw/zinc/66/62/33/556666233.db2.gz ILATVVMBJBHOTJ-GFCCVEGCSA-N 0 0 437.915 4.746 50 0 IJAARN CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(C)cc3)s2)CC1 ZINC000017112333 556667858 /nfs/dbraw/zinc/66/78/58/556667858.db2.gz ZJMZHZYQBTVSDD-UHFFFAOYSA-N 0 0 435.615 4.756 50 0 IJAARN COc1ccc([C@@H](NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c2ccccc2)cc1 ZINC000248154910 556669535 /nfs/dbraw/zinc/66/95/35/556669535.db2.gz YOEKBHBRPRHEBT-IZZNHLLZSA-N 0 0 432.589 4.972 50 0 IJAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)NCc1ccccc1Cl ZINC000017177691 556671764 /nfs/dbraw/zinc/67/17/64/556671764.db2.gz ZJDPQWMZQHIICH-FQEVSTJZSA-N 0 0 426.925 4.820 50 0 IJAARN O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccc(Br)cc1 ZINC000017191774 556672355 /nfs/dbraw/zinc/67/23/55/556672355.db2.gz TVOFXYXQPBCSND-UHFFFAOYSA-N 0 0 439.338 4.890 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)c1 ZINC000017194662 556672694 /nfs/dbraw/zinc/67/26/94/556672694.db2.gz GVHZVVDWIOCWPI-UHFFFAOYSA-N 0 0 438.534 4.811 50 0 IJAARN COc1ccc(COc2nc(I)ccc2OCc2ccccc2)cc1 ZINC000118890269 556675812 /nfs/dbraw/zinc/67/58/12/556675812.db2.gz BCPMHQYQVLQCHJ-UHFFFAOYSA-N 0 0 447.272 4.853 50 0 IJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000032931712 556676654 /nfs/dbraw/zinc/67/66/54/556676654.db2.gz KPVYBRHJXRMSQM-UHFFFAOYSA-N 0 0 425.941 4.881 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccc(Cl)cc1 ZINC000033325974 556680427 /nfs/dbraw/zinc/68/04/27/556680427.db2.gz XQNUDYWMFKJXEH-GOSISDBHSA-N 0 0 427.957 4.710 50 0 IJAARN Brc1ccccc1-c1cn2c(COc3ccc4c(c3)OCO4)nnc2s1 ZINC000045221587 556685630 /nfs/dbraw/zinc/68/56/30/556685630.db2.gz QPAZMCRZQAVEKJ-UHFFFAOYSA-N 0 0 430.283 4.528 50 0 IJAARN C[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000010640539 556686546 /nfs/dbraw/zinc/68/65/46/556686546.db2.gz LCBVIKUZTALOGX-LBPRGKRZSA-N 0 0 445.470 4.952 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000018247216 556688146 /nfs/dbraw/zinc/68/81/46/556688146.db2.gz AHBMUDLOQLFHKT-ZNZDAUKMSA-N 0 0 442.309 4.594 50 0 IJAARN CCN([C@@H](c1ccc(Br)cc1)c1cccnc1)S(=O)(=O)c1cccc(F)c1 ZINC000072313067 556688241 /nfs/dbraw/zinc/68/82/41/556688241.db2.gz HXFCQNLLBBIHMN-FQEVSTJZSA-N 0 0 449.345 4.783 50 0 IJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018276936 556688991 /nfs/dbraw/zinc/68/89/91/556688991.db2.gz VDGHBABJLAMNGG-PHVLTXCSSA-N 0 0 444.575 4.683 50 0 IJAARN CN(C)c1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(Cl)c3)C2)c1 ZINC000252499129 556690788 /nfs/dbraw/zinc/69/07/88/556690788.db2.gz RVUUCOZPKMBINH-QHCPKHFHSA-N 0 0 439.968 4.946 50 0 IJAARN COCCn1ccc2c1cccc2C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252499652 556690956 /nfs/dbraw/zinc/69/09/56/556690956.db2.gz SDMDFPGEPLGZDE-XMMPIXPASA-N 0 0 438.531 4.878 50 0 IJAARN O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000001147310 556691069 /nfs/dbraw/zinc/69/10/69/556691069.db2.gz WAXDLRFQFMPUTA-AUWJEWJLSA-N 0 0 439.287 4.902 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000046141376 556692716 /nfs/dbraw/zinc/69/27/16/556692716.db2.gz CYUZYULBWQCECY-UHFFFAOYSA-N 0 0 433.461 4.853 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)N(C[C@H](O)c3ccccc3)CC(C)(C)C)cc2)C[C@@H](C)O1 ZINC000072313633 556694202 /nfs/dbraw/zinc/69/42/02/556694202.db2.gz XEMRTSPOVFHAJK-REHUZNOOSA-N 0 0 439.600 4.914 50 0 IJAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000072028570 556695459 /nfs/dbraw/zinc/69/54/59/556695459.db2.gz YATVTLLTEOJVNE-JOCHJYFZSA-N 0 0 448.910 4.695 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033025373 556699641 /nfs/dbraw/zinc/69/96/41/556699641.db2.gz ZYJVFOVTMSJUCL-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1ccc(C)cc1Br ZINC000072314367 556700227 /nfs/dbraw/zinc/70/02/27/556700227.db2.gz WXILQAMYMVGLIS-HXUWFJFHSA-N 0 0 441.373 4.903 50 0 IJAARN O=c1nc(N2CCN(c3ccccc3Cl)CC2)[nH]c2c(-c3cccc(F)c3)csc21 ZINC000049421034 556705133 /nfs/dbraw/zinc/70/51/33/556705133.db2.gz JPSFDYPOEMUDFK-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)c1 ZINC000033027444 556706503 /nfs/dbraw/zinc/70/65/03/556706503.db2.gz AWJJNOYFTKHBSS-INIZCTEOSA-N 0 0 438.553 4.515 50 0 IJAARN CC(C)n1ncc(C(=O)N[C@@H](C)CCc2ccc(Br)cc2)c1C(F)(F)F ZINC000060337260 556708639 /nfs/dbraw/zinc/70/86/39/556708639.db2.gz KRKLQXUQDMNIKB-LBPRGKRZSA-N 0 0 432.284 4.996 50 0 IJAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(Cc2ccco2)CO4)cc1OC ZINC000013688306 556711340 /nfs/dbraw/zinc/71/13/40/556711340.db2.gz MNQBBIHTVSIXKE-UHFFFAOYSA-N 0 0 433.460 4.731 50 0 IJAARN CCCn1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000019228928 556717701 /nfs/dbraw/zinc/71/77/01/556717701.db2.gz FVACGAXIOCHVQW-QHCPKHFHSA-N 0 0 433.556 4.782 50 0 IJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)C1 ZINC000033035880 556718642 /nfs/dbraw/zinc/71/86/42/556718642.db2.gz WEVOLFJKYHUFLA-LJQANCHMSA-N 0 0 433.474 4.544 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000101107649 556729848 /nfs/dbraw/zinc/72/98/48/556729848.db2.gz SFKBXQJNPAPIKF-SVKFGRERSA-N 0 0 427.328 4.752 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000019311712 556735300 /nfs/dbraw/zinc/73/53/00/556735300.db2.gz PLHWQCKQNXLFIT-UHFFFAOYSA-N 0 0 447.329 4.626 50 0 IJAARN Cc1ccc([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c(O)c1C ZINC000019312703 556735593 /nfs/dbraw/zinc/73/55/93/556735593.db2.gz BGCXEYXYDDJRMD-SANMLTNESA-N 0 0 428.576 4.875 50 0 IJAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2c[nH]nc2-c2ccccc2)C3)n1 ZINC000055182937 556737235 /nfs/dbraw/zinc/73/72/35/556737235.db2.gz BGJACYSZQUKABH-UHFFFAOYSA-N 0 0 442.519 4.551 50 0 IJAARN COc1cccc(CN2CCN(Cc3nc(-c4cccc5ccccc54)oc3C)CC2=O)c1 ZINC000055225034 556738364 /nfs/dbraw/zinc/73/83/64/556738364.db2.gz OSRJILNJEQDJKT-UHFFFAOYSA-N 0 0 441.531 4.656 50 0 IJAARN COC(=O)C1[C@@H](c2ccccc2)C(C(=O)Oc2ccc(C(C)=O)cc2)[C@@H]1c1ccccc1 ZINC000000897506 556741277 /nfs/dbraw/zinc/74/12/77/556741277.db2.gz MLSOATJMJZPCMT-ARIYZQMHSA-N 0 0 428.484 4.781 50 0 IJAARN CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(Br)c1 ZINC000057984971 556750233 /nfs/dbraw/zinc/75/02/33/556750233.db2.gz JBFPNUJGSJNMCB-UHFFFAOYSA-N 0 0 442.279 4.742 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000057991204 556751002 /nfs/dbraw/zinc/75/10/02/556751002.db2.gz VUEALZBTHPZSIH-VQTJNVASSA-N 0 0 436.770 4.948 50 0 IJAARN COc1cc(NC(=O)N[C@H](c2cccs2)C2CCCC2)c(C(=O)N(C)C)cc1OC ZINC000058017877 556754133 /nfs/dbraw/zinc/75/41/33/556754133.db2.gz YLOIVXLGGWOGSO-FQEVSTJZSA-N 0 0 431.558 4.520 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072334087 556755139 /nfs/dbraw/zinc/75/51/39/556755139.db2.gz PNYMHGRCENWQAJ-UHFFFAOYSA-N 0 0 440.487 4.831 50 0 IJAARN COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)cc(OC)c1OC ZINC000011167333 556760240 /nfs/dbraw/zinc/76/02/40/556760240.db2.gz MHLACMOZSVGYBT-UHFFFAOYSA-N 0 0 439.487 4.558 50 0 IJAARN CCc1ccc(N(Cc2cccc(I)c2)C(=O)C(F)(F)F)cc1 ZINC000001028058 556762588 /nfs/dbraw/zinc/76/25/88/556762588.db2.gz XHZPMCRPUDRZPK-UHFFFAOYSA-N 0 0 433.211 4.949 50 0 IJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000058161247 556765104 /nfs/dbraw/zinc/76/51/04/556765104.db2.gz RQMRJSFVRKQMEB-XMMPIXPASA-N 0 0 435.955 4.851 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058161332 556765180 /nfs/dbraw/zinc/76/51/80/556765180.db2.gz QNFVAYYGHVTJGZ-HSZRJFAPSA-N 0 0 437.540 4.798 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058165447 556766425 /nfs/dbraw/zinc/76/64/25/556766425.db2.gz LKFBTHCUUGTRRP-QFIPXVFZSA-N 0 0 425.891 4.729 50 0 IJAARN COc1ccc(-c2noc(C[S@](=O)Cc3ccc(Cl)cc3Cl)n2)c(OC)c1 ZINC000058169296 556767599 /nfs/dbraw/zinc/76/75/99/556767599.db2.gz UHHKHURDWKHNLT-MHZLTWQESA-N 0 0 427.309 4.510 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058173675 556768787 /nfs/dbraw/zinc/76/87/87/556768787.db2.gz RSQYMIUMQUXKCG-QGZVFWFLSA-N 0 0 444.560 4.533 50 0 IJAARN CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000058218993 556773123 /nfs/dbraw/zinc/77/31/23/556773123.db2.gz MGDBPVLQYHRRMJ-ZIAGYGMSSA-N 0 0 434.367 4.970 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)c2)oc1C ZINC000058357523 556782939 /nfs/dbraw/zinc/78/29/39/556782939.db2.gz NZIIHMVSMGZESR-INIZCTEOSA-N 0 0 443.425 4.969 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(OCc2nccn2C)cc1 ZINC000058370910 556783814 /nfs/dbraw/zinc/78/38/14/556783814.db2.gz TZFWZFTYDHDSBV-UHFFFAOYSA-N 0 0 440.503 4.812 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000019536610 556794160 /nfs/dbraw/zinc/79/41/60/556794160.db2.gz KSKXPANDGRCXPQ-UHFFFAOYSA-N 0 0 447.520 4.707 50 0 IJAARN CCOc1cc(-c2ccccc2)sc1C(=O)NCc1cc(OC)c(OC)cc1OC ZINC000059299462 556797324 /nfs/dbraw/zinc/79/73/24/556797324.db2.gz FVBXXUJYGLQFGW-UHFFFAOYSA-N 0 0 427.522 4.770 50 0 IJAARN COc1cccc(/C=C/C(=O)NC2(c3ccc(Br)cc3)CC2)c1OC(F)F ZINC000059360962 556798526 /nfs/dbraw/zinc/79/85/26/556798526.db2.gz JGHUUFOQQABKTQ-BJMVGYQFSA-N 0 0 438.268 4.878 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 ZINC000002631749 556801085 /nfs/dbraw/zinc/80/10/85/556801085.db2.gz DCLYTYFYSMEWBP-GOSISDBHSA-N 0 0 440.499 4.945 50 0 IJAARN COc1ccccc1CNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000002629928 556801109 /nfs/dbraw/zinc/80/11/09/556801109.db2.gz COWOAJFQMSNMFV-UHFFFAOYSA-N 0 0 440.499 4.692 50 0 IJAARN CCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3C(=O)c3ccccc3)ccc12 ZINC000002632482 556801315 /nfs/dbraw/zinc/80/13/15/556801315.db2.gz GCTQOLPGSAEYSD-UHFFFAOYSA-N 0 0 427.456 4.604 50 0 IJAARN C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000002659223 556802876 /nfs/dbraw/zinc/80/28/76/556802876.db2.gz CGHYNVHFCUAMKV-NRFANRHFSA-N 0 0 430.548 4.569 50 0 IJAARN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000059898116 556805490 /nfs/dbraw/zinc/80/54/90/556805490.db2.gz KLZWDOTWQJZINO-UHFFFAOYSA-N 0 0 449.967 4.612 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)C[C@H](C)O1 ZINC000060082396 556806414 /nfs/dbraw/zinc/80/64/14/556806414.db2.gz LRXBZONDQQLDIV-BETUJISGSA-N 0 0 427.854 4.615 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)C3=COCCO3)cc2)cc1 ZINC000003235794 556806623 /nfs/dbraw/zinc/80/66/23/556806623.db2.gz CKTLEGBRDQGLJY-UHFFFAOYSA-N 0 0 425.481 4.536 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000003235847 556806628 /nfs/dbraw/zinc/80/66/28/556806628.db2.gz ILGFAUCILXDNLF-UHFFFAOYSA-N 0 0 444.409 4.808 50 0 IJAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCCOc1cc(C)ccc1C ZINC000003311999 556809418 /nfs/dbraw/zinc/80/94/18/556809418.db2.gz DTGSOXFUIUNZLP-SFHVURJKSA-N 0 0 445.560 4.992 50 0 IJAARN CCC(CC)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000003317037 556809896 /nfs/dbraw/zinc/80/98/96/556809896.db2.gz UFXWRYLRNQYVSI-UHFFFAOYSA-N 0 0 433.936 4.575 50 0 IJAARN O=C(Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl)c1cccs1 ZINC000003316369 556809927 /nfs/dbraw/zinc/80/99/27/556809927.db2.gz RVBYLTZKBMEZJH-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000003295150 556811039 /nfs/dbraw/zinc/81/10/39/556811039.db2.gz BCQHLGYYPZDEBK-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)NC(=O)CCSc1ccccc1 ZINC000003364483 556811991 /nfs/dbraw/zinc/81/19/91/556811991.db2.gz TUIMOWFLFSQCCZ-UHFFFAOYSA-N 0 0 447.512 4.876 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011205243 556812216 /nfs/dbraw/zinc/81/22/16/556812216.db2.gz FIOOZNQJIMQREB-FQEVSTJZSA-N 0 0 439.899 4.578 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000003338421 556812693 /nfs/dbraw/zinc/81/26/93/556812693.db2.gz JRBZWSOTULGXDD-UHFFFAOYSA-N 0 0 431.391 4.512 50 0 IJAARN CSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 ZINC000011209942 556814356 /nfs/dbraw/zinc/81/43/56/556814356.db2.gz QXIUUUBCXCFPEP-UHFFFAOYSA-N 0 0 427.595 4.895 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1 ZINC000003437205 556815507 /nfs/dbraw/zinc/81/55/07/556815507.db2.gz KQIHHAWHHXJEFV-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN C[C@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003378794 556816314 /nfs/dbraw/zinc/81/63/14/556816314.db2.gz BJYPXOHCPPEOQG-OXJNMPFZSA-N 0 0 447.501 4.536 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1c(Cl)cccc1Cl ZINC000003483781 556816572 /nfs/dbraw/zinc/81/65/72/556816572.db2.gz SAYFUWDMHINZKH-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NCc1cccs1 ZINC000003597683 556817947 /nfs/dbraw/zinc/81/79/47/556817947.db2.gz RVURZWGFFXHRNR-UHFFFAOYSA-N 0 0 426.592 4.525 50 0 IJAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)[C@@H]1C ZINC000005493688 556818620 /nfs/dbraw/zinc/81/86/20/556818620.db2.gz HTHXJFYEDCSYAT-LPMFXHHGSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 ZINC000033067801 556819792 /nfs/dbraw/zinc/81/97/92/556819792.db2.gz PXPCTWHQRAVAOZ-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 ZINC000033068098 556820539 /nfs/dbraw/zinc/82/05/39/556820539.db2.gz PWNDMAKPDDMONC-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033068203 556821177 /nfs/dbraw/zinc/82/11/77/556821177.db2.gz AEMKNLLVOXZWKI-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000096503428 556821788 /nfs/dbraw/zinc/82/17/88/556821788.db2.gz GXWDZWQCXYMEJE-UHFFFAOYSA-N 0 0 433.552 4.994 50 0 IJAARN CSc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662085 556825983 /nfs/dbraw/zinc/82/59/83/556825983.db2.gz HYGGZAOZGNPBNW-HSZRJFAPSA-N 0 0 439.606 4.903 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F ZINC000064662275 556826191 /nfs/dbraw/zinc/82/61/91/556826191.db2.gz LOGDHOUYZQFGJI-XMMPIXPASA-N 0 0 439.556 4.706 50 0 IJAARN O=C(NC1CCCCC1)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958888 556829907 /nfs/dbraw/zinc/82/99/07/556829907.db2.gz ZVQMITLULWBRPF-KRWDZBQOSA-N 0 0 437.975 4.715 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C(C)C)cc4)cc32)cc1 ZINC000065003132 556831192 /nfs/dbraw/zinc/83/11/92/556831192.db2.gz WFCACOGZLDCUAW-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 ZINC000019629104 556831838 /nfs/dbraw/zinc/83/18/38/556831838.db2.gz IRWXQVPKDGOKTL-UHFFFAOYSA-N 0 0 431.496 4.503 50 0 IJAARN Cc1ccc(-c2cn3c(CC(=O)N4CCN(c5cc(C)ccc5C)CC4)csc3n2)cc1 ZINC000065079225 556832045 /nfs/dbraw/zinc/83/20/45/556832045.db2.gz JJHTYQLHGZDFFO-UHFFFAOYSA-N 0 0 444.604 4.879 50 0 IJAARN CCn1c(COc2cc(C)ccc2Cl)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000019645490 556840093 /nfs/dbraw/zinc/84/00/93/556840093.db2.gz OMLCJJALQLOUMC-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN COC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccn1 ZINC000096794920 556845948 /nfs/dbraw/zinc/84/59/48/556845948.db2.gz IDZMASRSRAEOJM-PGMHBOJBSA-N 0 0 449.466 4.754 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000004647294 556848796 /nfs/dbraw/zinc/84/87/96/556848796.db2.gz NXNQKEVQXWKHLM-FQEVSTJZSA-N 0 0 432.339 4.640 50 0 IJAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4[nH]3)C2)cc1 ZINC000033071614 556851997 /nfs/dbraw/zinc/85/19/97/556851997.db2.gz IYPCMOHGAZZBTP-MRXNPFEDSA-N 0 0 428.989 4.514 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(c3ncnc4onc(-c5ccc(F)cc5)c43)CC2)c1 ZINC000033084759 556854795 /nfs/dbraw/zinc/85/47/95/556854795.db2.gz APSGJCWTLLVZHF-UHFFFAOYSA-N 0 0 431.471 4.587 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1C ZINC000033114100 556860920 /nfs/dbraw/zinc/86/09/20/556860920.db2.gz DWIDCVFXGDRVCR-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127954 556864812 /nfs/dbraw/zinc/86/48/12/556864812.db2.gz KUTLQCFMRHDWJZ-OAQYLSRUSA-N 0 0 449.938 4.671 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c(OC)c1 ZINC000033128687 556865677 /nfs/dbraw/zinc/86/56/77/556865677.db2.gz DRIOQBRLOOUJSO-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN CCOc1ccc(C[N@@H+](Cc2cc(=O)n3[n-]c(-c4ccccc4)cc3n2)CC(C)C)cc1 ZINC000033126307 556867049 /nfs/dbraw/zinc/86/70/49/556867049.db2.gz QSSRZWSGOOBPOU-UHFFFAOYSA-N 0 0 430.552 4.747 50 0 IJAARN C[C@@H](NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccccc1 ZINC000004672558 556867739 /nfs/dbraw/zinc/86/77/39/556867739.db2.gz GISHOONZGQHWIX-GOSISDBHSA-N 0 0 427.589 4.712 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4OC)nn3)c2)cc1 ZINC000033131041 556871265 /nfs/dbraw/zinc/87/12/65/556871265.db2.gz GXYXBYPKDDIJGM-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000019731622 556876685 /nfs/dbraw/zinc/87/66/85/556876685.db2.gz SEMYESNRFJUOCS-OAQYLSRUSA-N 0 0 431.536 4.873 50 0 IJAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168758 556880879 /nfs/dbraw/zinc/88/08/79/556880879.db2.gz BOLMFBXEYCFEBL-GOSISDBHSA-N 0 0 438.984 4.814 50 0 IJAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)c1=O ZINC000033171745 556882624 /nfs/dbraw/zinc/88/26/24/556882624.db2.gz WHORHGXMNHSBJD-UHFFFAOYSA-N 0 0 443.503 4.743 50 0 IJAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)NCc1ccccc1Cl ZINC000033174849 556882804 /nfs/dbraw/zinc/88/28/04/556882804.db2.gz BPKGNTZJNODFDE-UHFFFAOYSA-N 0 0 433.364 4.804 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)c(Br)c1 ZINC000033172453 556882850 /nfs/dbraw/zinc/88/28/50/556882850.db2.gz ATRZYQMGYRKZHG-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 ZINC000033173524 556883591 /nfs/dbraw/zinc/88/35/91/556883591.db2.gz PIXRRNUASWWKRY-UHFFFAOYSA-N 0 0 440.443 4.811 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)c1 ZINC000033174304 556884319 /nfs/dbraw/zinc/88/43/19/556884319.db2.gz AWKNYNVDAIHLHV-MRXNPFEDSA-N 0 0 425.554 4.949 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)c[nH]c21 ZINC000033169965 556885176 /nfs/dbraw/zinc/88/51/76/556885176.db2.gz QDMLLBRAMWHDAJ-UHFFFAOYSA-N 0 0 434.521 4.763 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(OC)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251170 556891913 /nfs/dbraw/zinc/89/19/13/556891913.db2.gz MSSFHJIWCXECKU-KRWDZBQOSA-N 0 0 433.430 4.631 50 0 IJAARN O=C(NCCC1=CCCCC1)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1 ZINC000033252248 556892605 /nfs/dbraw/zinc/89/26/05/556892605.db2.gz NNYREUMVQYDXDX-UHFFFAOYSA-N 0 0 445.548 4.668 50 0 IJAARN CCOc1ccc(C(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 ZINC000033252210 556892714 /nfs/dbraw/zinc/89/27/14/556892714.db2.gz UVXGBOYYERVCJV-UHFFFAOYSA-N 0 0 439.943 4.660 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2)CC1 ZINC000033258343 556896106 /nfs/dbraw/zinc/89/61/06/556896106.db2.gz HEPXVMLHOWYPJF-UHFFFAOYSA-N 0 0 435.528 4.531 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(CSCC(=O)NCc4ccc(F)cc4)o3)n2)cc1 ZINC000033262388 556902085 /nfs/dbraw/zinc/90/20/85/556902085.db2.gz FGSVWHWCAXGALI-UHFFFAOYSA-N 0 0 437.496 4.994 50 0 IJAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036392122 556906996 /nfs/dbraw/zinc/90/69/96/556906996.db2.gz FSUBNWJVMYDHSU-HXOBKFHXSA-N 0 0 427.591 4.790 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000019819275 556922483 /nfs/dbraw/zinc/92/24/83/556922483.db2.gz PNTMLIYUVZRFJN-UHFFFAOYSA-N 0 0 442.302 4.609 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)CCc1sc(C)nc1-c1cccs1)CC2 ZINC000019819577 556922883 /nfs/dbraw/zinc/92/28/83/556922883.db2.gz PHONJCVFTLQBTG-UHFFFAOYSA-N 0 0 428.579 4.715 50 0 IJAARN Fc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Br)cc5)nn43)[nH]n2)cc1 ZINC000019827279 556925982 /nfs/dbraw/zinc/92/59/82/556925982.db2.gz DLZKOYLVMHSIFX-UHFFFAOYSA-N 0 0 441.289 4.812 50 0 IJAARN CCN(CC)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(OC)cc4)n[nH]3)s2)cc1 ZINC000019827717 556926187 /nfs/dbraw/zinc/92/61/87/556926187.db2.gz PEVSUBONVURLQJ-UHFFFAOYSA-N 0 0 445.552 4.765 50 0 IJAARN CCc1cc([C@H](c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880716 556937017 /nfs/dbraw/zinc/93/70/17/556937017.db2.gz SIMSPAZRQXQDRW-QHCPKHFHSA-N 0 0 436.577 4.993 50 0 IJAARN CCc1cc([C@H](c2ccccc2OC)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880720 556937034 /nfs/dbraw/zinc/93/70/34/556937034.db2.gz AXIPXQWHTQSKNC-QHCPKHFHSA-N 0 0 436.577 4.993 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc21 ZINC000019889431 556938812 /nfs/dbraw/zinc/93/88/12/556938812.db2.gz GIKVYGLBNQFJQP-UHFFFAOYSA-N 0 0 447.604 4.629 50 0 IJAARN Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000019921527 556943900 /nfs/dbraw/zinc/94/39/00/556943900.db2.gz SFNBSQWHFMXOOS-BYUVYSIJSA-N 0 0 438.575 4.566 50 0 IJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc(F)cc4F)cc3)nn2)c(C)c1C ZINC000072434198 556972355 /nfs/dbraw/zinc/97/23/55/556972355.db2.gz UOQFYXYZEMWKFM-UHFFFAOYSA-N 0 0 434.450 4.862 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000004728646 556976144 /nfs/dbraw/zinc/97/61/44/556976144.db2.gz DEDCMUIHONVYEA-VGSWGCGISA-N 0 0 426.557 4.734 50 0 IJAARN Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C(=O)NC3CCCC3)cc2)n1 ZINC000033268265 556983653 /nfs/dbraw/zinc/98/36/53/556983653.db2.gz CVTZSQMZYVQUJT-UHFFFAOYSA-N 0 0 426.524 4.848 50 0 IJAARN CCOc1ccc([C@@H]2C(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)C(C)=Nc3ncnn32)cc1 ZINC000020134109 556988256 /nfs/dbraw/zinc/98/82/56/556988256.db2.gz STFDJZNEOSYWML-JNHGLSHCSA-N 0 0 438.572 4.970 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111872 556990335 /nfs/dbraw/zinc/99/03/35/556990335.db2.gz HVPHVZOHHKKMLQ-CQSZACIVSA-N 0 0 425.851 4.963 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097112298 556990544 /nfs/dbraw/zinc/99/05/44/556990544.db2.gz ZQNWJZLKRUGRIT-OAHLLOKOSA-N 0 0 425.851 4.963 50 0 IJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1CN1CCOCC1 ZINC000020188647 556996081 /nfs/dbraw/zinc/99/60/81/556996081.db2.gz LPZYSHDXFNABAH-AREMUKBSSA-N 0 0 443.547 4.607 50 0 IJAARN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1ccco1)N1CCOCC1 ZINC000020192460 556996560 /nfs/dbraw/zinc/99/65/60/556996560.db2.gz IPHYESYSJDBMDX-NRFANRHFSA-N 0 0 426.538 4.640 50 0 IJAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1)Nc1nccs1 ZINC000020193762 556996834 /nfs/dbraw/zinc/99/68/34/556996834.db2.gz DIGJHRHOLXCSRA-UHFFFAOYSA-N 0 0 447.545 4.927 50 0 IJAARN O=S(=O)(NCc1ccccc1COc1ccccc1)c1ccccc1Br ZINC000010681025 557002039 /nfs/dbraw/zinc/00/20/39/557002039.db2.gz XTPWWBJBPHUFJC-UHFFFAOYSA-N 0 0 432.339 4.507 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(OCCO)cc2)c1 ZINC000020233814 557002048 /nfs/dbraw/zinc/00/20/48/557002048.db2.gz RSARVIMGMMHSEJ-HHHXNRCGSA-N 0 0 428.532 4.695 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994287 557003003 /nfs/dbraw/zinc/00/30/03/557003003.db2.gz ZSFCYNDPKJTURC-LDADJPATSA-N 0 0 426.263 4.877 50 0 IJAARN COc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1OC ZINC000020258886 557004134 /nfs/dbraw/zinc/00/41/34/557004134.db2.gz UFPBOYUUQCMZDU-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN c1ccc(-c2nc3sc4c(ncnc4SCCN4CCOCC4)c3c3c2CCC3)cc1 ZINC000020437277 557016955 /nfs/dbraw/zinc/01/69/55/557016955.db2.gz JLAZTLPNMXTSNF-UHFFFAOYSA-N 0 0 448.617 4.820 50 0 IJAARN C[C@H]1CCN(C(=O)CNc2cc(Cl)ccc2C(=O)N2CCCC2)c2ccccc2S1 ZINC000071982978 557017231 /nfs/dbraw/zinc/01/72/31/557017231.db2.gz AUHIPXOGKGGLQW-INIZCTEOSA-N 0 0 444.000 4.905 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000046012001 557018416 /nfs/dbraw/zinc/01/84/16/557018416.db2.gz MXYBKBMKJAVSJH-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN Cc1ccc(-n2ncc3c2c(SCC(=O)NCc2ccco2)nnc3C(C)C)cc1C ZINC000023137813 557019733 /nfs/dbraw/zinc/01/97/33/557019733.db2.gz KIQPXZFHNSEIAJ-UHFFFAOYSA-N 0 0 435.553 4.557 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(C(C)C)c3cnn(-c4ccc(C)c(C)c4)c32)no1 ZINC000023137822 557019818 /nfs/dbraw/zinc/01/98/18/557019818.db2.gz ZJXCSXCLEHEPOQ-UHFFFAOYSA-N 0 0 436.541 4.583 50 0 IJAARN CCC[C@H](NC(=O)c1cc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)c1cccs1 ZINC000046023075 557023008 /nfs/dbraw/zinc/02/30/08/557023008.db2.gz HMBAIEXXJQOIIR-SFHVURJKSA-N 0 0 447.626 4.542 50 0 IJAARN O=c1cc(CN(Cc2ccco2)Cc2ccccc2)nc2sc(C3CCCCC3)nn21 ZINC000046032355 557024711 /nfs/dbraw/zinc/02/47/11/557024711.db2.gz RBYFPKKEHILFSX-UHFFFAOYSA-N 0 0 434.565 4.994 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053570 557026473 /nfs/dbraw/zinc/02/64/73/557026473.db2.gz DVAOKDMAZYGAQP-QGZVFWFLSA-N 0 0 441.959 4.603 50 0 IJAARN COc1cccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2Cc2ccco2)c1 ZINC000032945020 557028391 /nfs/dbraw/zinc/02/83/91/557028391.db2.gz IWJKMDGNPAUZCQ-UHFFFAOYSA-N 0 0 445.504 4.937 50 0 IJAARN Cc1nc2sc([C@H](c3ccc(Br)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000023157029 557029756 /nfs/dbraw/zinc/02/97/56/557029756.db2.gz BFGPWIUEHZHZRY-MKBNYLNASA-N 0 0 435.391 4.635 50 0 IJAARN Cc1nc2sc([C@H](c3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157484 557030478 /nfs/dbraw/zinc/03/04/78/557030478.db2.gz HCLNNFZJHPFTKT-NRFANRHFSA-N 0 0 436.556 4.988 50 0 IJAARN COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000023157858 557030772 /nfs/dbraw/zinc/03/07/72/557030772.db2.gz WASKJAUQSQILTM-QFIPXVFZSA-N 0 0 448.592 4.858 50 0 IJAARN Cc1ccccc1N(C)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077508 557033275 /nfs/dbraw/zinc/03/32/75/557033275.db2.gz MTSPMOJDSJVCQG-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)Cc3ccccc3)c(Cl)cc1O2 ZINC000046077489 557033278 /nfs/dbraw/zinc/03/32/78/557033278.db2.gz RPIFCKTUFYNSDZ-UHFFFAOYSA-N 0 0 442.924 4.827 50 0 IJAARN COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCC(C)CC2)cc1OC ZINC000046078217 557033596 /nfs/dbraw/zinc/03/35/96/557033596.db2.gz KLOCMXZBHHCJFQ-UHFFFAOYSA-N 0 0 427.936 4.850 50 0 IJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)C3CCCCC3)cc1C(=O)N2 ZINC000046077693 557033604 /nfs/dbraw/zinc/03/36/04/557033604.db2.gz SOKHPNOFZLJROV-UHFFFAOYSA-N 0 0 434.945 4.960 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(OC)c1 ZINC000046079007 557033811 /nfs/dbraw/zinc/03/38/11/557033811.db2.gz HRMGPUQHBQJAKP-UHFFFAOYSA-N 0 0 434.467 4.688 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c(OC)c1 ZINC000046079093 557033864 /nfs/dbraw/zinc/03/38/64/557033864.db2.gz WNEJICCCONAVNW-UHFFFAOYSA-N 0 0 434.467 4.688 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)cc1 ZINC000046079535 557034601 /nfs/dbraw/zinc/03/46/01/557034601.db2.gz MAUXYPSLTCUDKJ-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527677 557035384 /nfs/dbraw/zinc/03/53/84/557035384.db2.gz NYVQHPFTYZUGRQ-YZRYTEAFSA-N 0 0 440.568 4.903 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)s2)cc1 ZINC000046122945 557036466 /nfs/dbraw/zinc/03/64/66/557036466.db2.gz KTMZCBTVJAMCCP-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN CC1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)CC1 ZINC000017246124 557041486 /nfs/dbraw/zinc/04/14/86/557041486.db2.gz YJPJZOWJJWYOPH-UHFFFAOYSA-N 0 0 428.496 4.524 50 0 IJAARN O=S1(=O)CCN(Cc2ccccc2)c2c(Oc3ccc(F)cc3)nc(F)c(Cl)c21 ZINC000024614277 557045353 /nfs/dbraw/zinc/04/53/53/557045353.db2.gz QTAMHVDVIAJZHL-UHFFFAOYSA-N 0 0 436.867 4.599 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)N3CCC(CCc4ccccc4)CC3)c(=O)oc2c1 ZINC000048236299 557047251 /nfs/dbraw/zinc/04/72/51/557047251.db2.gz UCPXCDPUYLMNJL-UHFFFAOYSA-N 0 0 433.548 4.914 50 0 IJAARN CCCCOc1ccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1 ZINC000017270665 557048617 /nfs/dbraw/zinc/04/86/17/557048617.db2.gz WVXZBTWLHRKCQQ-UHFFFAOYSA-N 0 0 445.567 4.670 50 0 IJAARN O=C(Nc1ccc(Oc2cccc(F)c2)nc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000048230853 557048719 /nfs/dbraw/zinc/04/87/19/557048719.db2.gz ZOURCYLPRUGMIM-QGZVFWFLSA-N 0 0 437.446 4.643 50 0 IJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(OC)cc2s1 ZINC000033271561 557049492 /nfs/dbraw/zinc/04/94/92/557049492.db2.gz BUQKSPCMPJFDPD-MRXNPFEDSA-N 0 0 434.521 4.672 50 0 IJAARN Cc1sc2[nH]c(-c3cnn4c3nccc4C(F)(F)F)nc(=O)c2c1-c1ccc(C)cc1 ZINC000048274165 557051520 /nfs/dbraw/zinc/05/15/20/557051520.db2.gz COARMKIDYMKUKA-UHFFFAOYSA-N 0 0 441.438 4.997 50 0 IJAARN COc1ccc(N2C(=S)N[C@@H](c3cccc(F)c3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000048253179 557052479 /nfs/dbraw/zinc/05/24/79/557052479.db2.gz RUNLOPOIBHVTQN-NRFANRHFSA-N 0 0 444.528 4.504 50 0 IJAARN COC(=O)c1sc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)nc1C ZINC000048278607 557057209 /nfs/dbraw/zinc/05/72/09/557057209.db2.gz YMXCJOLIGMJNBV-UHFFFAOYSA-N 0 0 434.473 4.572 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000048311997 557061242 /nfs/dbraw/zinc/06/12/42/557061242.db2.gz WPATWKHJPHYNLI-INIZCTEOSA-N 0 0 446.551 4.854 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2csc(-c3ccccc3)n2)cc1C ZINC000033279623 557062258 /nfs/dbraw/zinc/06/22/58/557062258.db2.gz XORZYHXDTRUTLT-OAQYLSRUSA-N 0 0 434.565 4.740 50 0 IJAARN COc1ccc([C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C2CC2)cc1 ZINC000048301840 557063065 /nfs/dbraw/zinc/06/30/65/557063065.db2.gz SMJUXHQGCZZCRQ-OAQYLSRUSA-N 0 0 449.473 4.823 50 0 IJAARN O=C(COc1cc(Cl)ccc1Cl)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023108035 557063738 /nfs/dbraw/zinc/06/37/38/557063738.db2.gz PIZDLODPHVRTMS-UHFFFAOYSA-N 0 0 448.272 4.525 50 0 IJAARN COC(=O)N(C)c1ccccc1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000048324151 557064953 /nfs/dbraw/zinc/06/49/53/557064953.db2.gz FHEDUFXUYCTGFT-UHFFFAOYSA-N 0 0 444.487 4.510 50 0 IJAARN COc1ccccc1CCC(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000033288160 557065328 /nfs/dbraw/zinc/06/53/28/557065328.db2.gz UMYNVFRJCLGYEN-UHFFFAOYSA-N 0 0 427.504 4.582 50 0 IJAARN COc1cccc(/C=C2\SC(=N)NC2=O)c1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000023128367 557065914 /nfs/dbraw/zinc/06/59/14/557065914.db2.gz SVFWFMDJAUMGKK-HKWRFOASSA-N 0 0 440.565 4.979 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000048325008 557065976 /nfs/dbraw/zinc/06/59/76/557065976.db2.gz YACTXTHPVAEBSH-RTWAWAEBSA-N 0 0 428.561 4.907 50 0 IJAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c1C(N)=O ZINC000033288737 557066173 /nfs/dbraw/zinc/06/61/73/557066173.db2.gz STICVNGPCDJXQI-XFXZXTDPSA-N 0 0 428.554 4.670 50 0 IJAARN COc1cccc([C@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033289005 557066488 /nfs/dbraw/zinc/06/64/88/557066488.db2.gz ZZFFDXZRFNNTDB-INIZCTEOSA-N 0 0 425.579 4.914 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)n2)c1 ZINC000033289874 557071567 /nfs/dbraw/zinc/07/15/67/557071567.db2.gz WTGZXHJKXMXVMM-SFHVURJKSA-N 0 0 443.507 4.586 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)c1C ZINC000033289927 557071848 /nfs/dbraw/zinc/07/18/48/557071848.db2.gz AWUHZQKOFXLURY-UHFFFAOYSA-N 0 0 443.544 4.678 50 0 IJAARN COc1ccccc1-c1noc(-c2nnn(Cc3nc(-c4ccc(C)cc4)oc3C)c2C)n1 ZINC000033296859 557072870 /nfs/dbraw/zinc/07/28/70/557072870.db2.gz OMLBUQCQKZMLCS-UHFFFAOYSA-N 0 0 442.479 4.632 50 0 IJAARN O=C(Cn1ccc2c1ccnc2SCc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000033298579 557074574 /nfs/dbraw/zinc/07/45/74/557074574.db2.gz HGQFGJPYOIQMGU-UHFFFAOYSA-N 0 0 449.507 4.878 50 0 IJAARN Cc1cccc(OCC(=O)N2CCC(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000033299199 557075581 /nfs/dbraw/zinc/07/55/81/557075581.db2.gz SJDGIHBKKRTUMG-UHFFFAOYSA-N 0 0 425.916 4.559 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)c(C)c2)cc1 ZINC000048991053 557080515 /nfs/dbraw/zinc/08/05/15/557080515.db2.gz HAMDDGPGZQRAPC-UHFFFAOYSA-N 0 0 448.541 4.672 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000049001779 557081161 /nfs/dbraw/zinc/08/11/61/557081161.db2.gz DECDTXYGRAOYPH-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN O=C(CSc1cc(N2CCSCC2)ncn1)Nc1ccc(Oc2ccccc2)cc1 ZINC000033301351 557083006 /nfs/dbraw/zinc/08/30/06/557083006.db2.gz ZMLUACUYCPUDBT-UHFFFAOYSA-N 0 0 438.578 4.553 50 0 IJAARN COc1cccc(-n2nnc(-c3nsc(Nc4ccc(OC)c(Cl)c4)n3)c2C)c1 ZINC000033302117 557083557 /nfs/dbraw/zinc/08/35/57/557083557.db2.gz VBTNMVGOSLTUIF-UHFFFAOYSA-N 0 0 428.905 4.508 50 0 IJAARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(=O)N3CCc4ccccc4C3)cc2)n1 ZINC000023335203 557084817 /nfs/dbraw/zinc/08/48/17/557084817.db2.gz WDXRAFTZTKBQLP-UHFFFAOYSA-N 0 0 431.536 4.545 50 0 IJAARN O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)o1 ZINC000033308240 557088258 /nfs/dbraw/zinc/08/82/58/557088258.db2.gz VIHUQILKIRRDRP-UHFFFAOYSA-N 0 0 440.253 4.923 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4s3)o2)cc1F ZINC000049029050 557089076 /nfs/dbraw/zinc/08/90/76/557089076.db2.gz RWEBGLLFSGMBQV-UHFFFAOYSA-N 0 0 428.514 4.643 50 0 IJAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000011323411 557089144 /nfs/dbraw/zinc/08/91/44/557089144.db2.gz WGBCPWGUNXBGRR-GFCCVEGCSA-N 0 0 449.349 4.685 50 0 IJAARN CCN(c1ccsc1C(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000049004233 557092609 /nfs/dbraw/zinc/09/26/09/557092609.db2.gz OOOWLDPENJYPOK-UHFFFAOYSA-N 0 0 434.970 4.547 50 0 IJAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(OC)c(OC)c1OC ZINC000017527955 557093701 /nfs/dbraw/zinc/09/37/01/557093701.db2.gz SPMKCBYVBPFCKC-UHFFFAOYSA-N 0 0 448.468 4.600 50 0 IJAARN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000033310879 557094363 /nfs/dbraw/zinc/09/43/63/557094363.db2.gz SWLBNSGALKUEJY-IBGZPJMESA-N 0 0 434.458 4.527 50 0 IJAARN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1)N1CCCCC1 ZINC000033311142 557094870 /nfs/dbraw/zinc/09/48/70/557094870.db2.gz ZWDCCKQJHMHEDM-GOSISDBHSA-N 0 0 442.506 4.522 50 0 IJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000023506724 557095274 /nfs/dbraw/zinc/09/52/74/557095274.db2.gz FAGYXJIUTAHXGX-HNNXBMFYSA-N 0 0 430.476 4.599 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000049403435 557098781 /nfs/dbraw/zinc/09/87/81/557098781.db2.gz MEIVMIDHCOAMBJ-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(-c2nc(C3CC3)no2)cn1 ZINC000049405587 557100637 /nfs/dbraw/zinc/10/06/37/557100637.db2.gz HQALDRSXKDWUMQ-UHFFFAOYSA-N 0 0 430.917 4.710 50 0 IJAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000049407048 557102514 /nfs/dbraw/zinc/10/25/14/557102514.db2.gz PRDAEAITUSHUAT-UHFFFAOYSA-N 0 0 446.488 4.567 50 0 IJAARN Cc1ccc(OCc2nc(-c3ccccc3OCC(=O)Nc3cccc(C)c3)no2)cc1 ZINC000033325002 557106932 /nfs/dbraw/zinc/10/69/32/557106932.db2.gz OKDARZICQWZOCQ-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccc(C)cc2)n1 ZINC000033325088 557107187 /nfs/dbraw/zinc/10/71/87/557107187.db2.gz HBKQZHKLNPARTC-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN O=C(Nc1cccc(F)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 ZINC000049421931 557108994 /nfs/dbraw/zinc/10/89/94/557108994.db2.gz BMBHEFSYPRSCEI-UHFFFAOYSA-N 0 0 432.430 4.714 50 0 IJAARN COCCn1ccc2c1cccc2OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000409415262 557110261 /nfs/dbraw/zinc/11/02/61/557110261.db2.gz YMURFUXGJMCOFM-HXUWFJFHSA-N 0 0 435.549 4.640 50 0 IJAARN COc1ccc(N2c3c(sc(=O)n3C)[C@@H](c3ccc(OCC(C)C)cc3)CC2=O)cc1 ZINC000049544254 557110888 /nfs/dbraw/zinc/11/08/88/557110888.db2.gz UOQWKXZAXDVJHR-HXUWFJFHSA-N 0 0 438.549 4.691 50 0 IJAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccccc1OC(F)(F)F ZINC000049544877 557111196 /nfs/dbraw/zinc/11/11/96/557111196.db2.gz ICFLVBBTITUGRN-AWEZNQCLSA-N 0 0 438.402 4.685 50 0 IJAARN CC(C)Sc1ccc(CC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000049523047 557114499 /nfs/dbraw/zinc/11/44/99/557114499.db2.gz VFXIELFMJZUHAB-UHFFFAOYSA-N 0 0 426.582 4.757 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049611687 557115531 /nfs/dbraw/zinc/11/55/31/557115531.db2.gz OZNQCXIUBUATLY-SQHAQQRYSA-N 0 0 449.554 4.993 50 0 IJAARN COc1ccc(OC)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001064762 557118349 /nfs/dbraw/zinc/11/83/49/557118349.db2.gz ZBOPEJPKVUXOKQ-UHFFFAOYSA-N 0 0 445.338 4.746 50 0 IJAARN C[C@H]1CCc2c(sc(NC(=O)c3cc(Br)ccc3Cl)c2C(N)=O)C1 ZINC000001056255 557118397 /nfs/dbraw/zinc/11/83/97/557118397.db2.gz RPEKHRPGRYNYTE-QMMMGPOBSA-N 0 0 427.751 4.640 50 0 IJAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 ZINC000033335475 557118602 /nfs/dbraw/zinc/11/86/02/557118602.db2.gz OSFOXWCZHVTAFM-JLHYYAGUSA-N 0 0 446.982 4.700 50 0 IJAARN O=C(NC(=S)Nc1ccccc1OC(F)F)c1cccc(OCc2ccccc2)c1 ZINC000001076836 557118743 /nfs/dbraw/zinc/11/87/43/557118743.db2.gz KIIGYVLIWGNPDN-UHFFFAOYSA-N 0 0 428.460 4.994 50 0 IJAARN CCOC(=O)COc1cc2c(cc1Br)oc(-c1ccccc1)c2C(=O)OCC ZINC000000623656 557121590 /nfs/dbraw/zinc/12/15/90/557121590.db2.gz AATNJKOJQSMGHQ-UHFFFAOYSA-N 0 0 447.281 4.981 50 0 IJAARN O=C1NC(=S)NC1=Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000033348760 557123275 /nfs/dbraw/zinc/12/32/75/557123275.db2.gz RQVMPUZFTKGRQI-WQRHYEAKSA-N 0 0 439.334 4.527 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000017823318 557124452 /nfs/dbraw/zinc/12/44/52/557124452.db2.gz FNHXWHPUKWAIMK-HXUWFJFHSA-N 0 0 436.515 4.788 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc4ccccc4c3)n2C)cc1 ZINC000000649389 557124870 /nfs/dbraw/zinc/12/48/70/557124870.db2.gz BAWXUAPRRSLKFZ-KRWDZBQOSA-N 0 0 432.549 4.975 50 0 IJAARN C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000017840781 557125200 /nfs/dbraw/zinc/12/52/00/557125200.db2.gz YGGPDXCDAAQVOA-OAHLLOKOSA-N 0 0 425.326 4.600 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908669 557125264 /nfs/dbraw/zinc/12/52/64/557125264.db2.gz FDTYEJBZWRNCFM-HHHXNRCGSA-N 0 0 443.591 4.605 50 0 IJAARN Cc1ccc([C@H](C)Nc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)o1 ZINC000023955698 557127342 /nfs/dbraw/zinc/12/73/42/557127342.db2.gz IWLXGMNJERNEGH-ZBFHGGJFSA-N 0 0 426.586 4.723 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000004800115 557127428 /nfs/dbraw/zinc/12/74/28/557127428.db2.gz YMTDJDGYTKZXLZ-RSXGOPAZSA-N 0 0 444.531 4.999 50 0 IJAARN O=C(CNC(=O)CSC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000017913693 557128697 /nfs/dbraw/zinc/12/86/97/557128697.db2.gz IBRHODNNCLUJHH-UHFFFAOYSA-N 0 0 426.488 4.542 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)c(F)c1 ZINC000023982522 557129439 /nfs/dbraw/zinc/12/94/39/557129439.db2.gz RTYZRAORUSKPKA-UHFFFAOYSA-N 0 0 434.540 4.727 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1COc1ccc(Br)cc1 ZINC000000656946 557129988 /nfs/dbraw/zinc/12/99/88/557129988.db2.gz ZHTMXCBEYMIWID-ONNFQVAWSA-N 0 0 443.297 4.985 50 0 IJAARN O=S(=O)(c1ccc(-c2nnc(SCc3ccccc3)o2)cc1)N1CCCCCC1 ZINC000023994096 557130587 /nfs/dbraw/zinc/13/05/87/557130587.db2.gz QFOXJJLQTOHSLC-UHFFFAOYSA-N 0 0 429.567 4.594 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 ZINC000002868653 557133728 /nfs/dbraw/zinc/13/37/28/557133728.db2.gz SDPZQVSDCCEQFL-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)Cc1ccccc1 ZINC000002978947 557134463 /nfs/dbraw/zinc/13/44/63/557134463.db2.gz MMRSBRPWQVGOIH-RCCKNPSSSA-N 0 0 427.456 4.578 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)c1 ZINC000017969054 557134754 /nfs/dbraw/zinc/13/47/54/557134754.db2.gz YYLZYHOTLBSHFK-UHFFFAOYSA-N 0 0 438.911 4.638 50 0 IJAARN COC(=O)c1cc(CSc2nc(CN3CCCC3)nc3sc(C)c(C)c32)oc1C ZINC000024068633 557134866 /nfs/dbraw/zinc/13/48/66/557134866.db2.gz WNKPQJPNDDJYON-UHFFFAOYSA-N 0 0 431.583 4.884 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1Br ZINC000024759009 557134992 /nfs/dbraw/zinc/13/49/92/557134992.db2.gz JQGATGOTHNWRCN-UHFFFAOYSA-N 0 0 445.357 4.701 50 0 IJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cn1)CCCCCC3 ZINC000000691655 557136806 /nfs/dbraw/zinc/13/68/06/557136806.db2.gz MNOKJXWOJNOMNS-UHFFFAOYSA-N 0 0 431.359 4.947 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)[C@@H](C)C2CC2)cc1OC ZINC000024771539 557137132 /nfs/dbraw/zinc/13/71/32/557137132.db2.gz KRAQFNIHJFDFMJ-DUVHGLKDSA-N 0 0 431.536 4.827 50 0 IJAARN CC(C)CC[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000011385987 557137607 /nfs/dbraw/zinc/13/76/07/557137607.db2.gz YUVHJKJIHWCKLZ-OAHLLOKOSA-N 0 0 447.988 4.724 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000011405963 557142318 /nfs/dbraw/zinc/14/23/18/557142318.db2.gz QCMBKVGVPDMBAO-HXUWFJFHSA-N 0 0 448.526 4.671 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010946947 557146568 /nfs/dbraw/zinc/14/65/68/557146568.db2.gz ICZBJQWEHCMHDK-UHFFFAOYSA-N 0 0 437.565 4.665 50 0 IJAARN O=C(COc1cccc(NC(=O)c2ccco2)c1)N(Cc1ccco1)Cc1cccs1 ZINC000024463077 557147724 /nfs/dbraw/zinc/14/77/24/557147724.db2.gz LAKADXFFJGFURR-UHFFFAOYSA-N 0 0 436.489 4.794 50 0 IJAARN CC(C)(C)OC(=O)NC1(CNC(=O)COCc2nc3ccccc3s2)CCCCCC1 ZINC000024494854 557148401 /nfs/dbraw/zinc/14/84/01/557148401.db2.gz MJRMDAHIFYBLAV-UHFFFAOYSA-N 0 0 447.601 4.547 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cc4c(cc3Cl)OCCCO4)o2)cc1 ZINC000011453772 557150489 /nfs/dbraw/zinc/15/04/89/557150489.db2.gz OPOIVJFXMDSGJL-UHFFFAOYSA-N 0 0 431.901 4.591 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000000720586 557152707 /nfs/dbraw/zinc/15/27/07/557152707.db2.gz FAUKTAZIVSGFGW-UHFFFAOYSA-N 0 0 432.814 4.847 50 0 IJAARN C[C@@H](c1ccccc1)n1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc2c1=O ZINC000011499483 557154153 /nfs/dbraw/zinc/15/41/53/557154153.db2.gz JPKGYUCLSOQPBN-IBGZPJMESA-N 0 0 443.572 4.757 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610669 557154805 /nfs/dbraw/zinc/15/48/05/557154805.db2.gz WPWIUGNVLIDKNI-UHFFFAOYSA-N 0 0 449.016 4.952 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(Br)c(F)c1 ZINC000095067898 557156053 /nfs/dbraw/zinc/15/60/53/557156053.db2.gz RAXULYBVWVTITR-UHFFFAOYSA-N 0 0 443.519 4.805 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCn1cnc2ccccc2c1=O ZINC000024691818 557158761 /nfs/dbraw/zinc/15/87/61/557158761.db2.gz GTLAZSOMHMWEIN-UHFFFAOYSA-N 0 0 433.430 4.623 50 0 IJAARN CCCCOc1ccc(NC(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000043984026 557160673 /nfs/dbraw/zinc/16/06/73/557160673.db2.gz BIHDBCUGSOTQIL-UHFFFAOYSA-N 0 0 425.529 4.898 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000732255 557165745 /nfs/dbraw/zinc/16/57/45/557165745.db2.gz VKZSLFOXUDARDG-UHFFFAOYSA-N 0 0 444.560 4.906 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)N(Cc1ccccc1)C1CC1 ZINC000024777075 557167044 /nfs/dbraw/zinc/16/70/44/557167044.db2.gz AIJJWWYKBDEGRX-UHFFFAOYSA-N 0 0 439.147 4.782 50 0 IJAARN O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)C1(c2cccs2)CCCC1 ZINC000206985540 557168530 /nfs/dbraw/zinc/16/85/30/557168530.db2.gz DMJLEKAIXVLMNZ-UHFFFAOYSA-N 0 0 438.622 4.864 50 0 IJAARN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206980740 557168817 /nfs/dbraw/zinc/16/88/17/557168817.db2.gz FTIQVBDPZIZZPO-UHFFFAOYSA-N 0 0 449.359 4.960 50 0 IJAARN Cc1cccc(OCCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1C ZINC000024864503 557172158 /nfs/dbraw/zinc/17/21/58/557172158.db2.gz KOQWWJIKRBJNRM-UHFFFAOYSA-N 0 0 441.531 4.538 50 0 IJAARN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000058009518 557178164 /nfs/dbraw/zinc/17/81/64/557178164.db2.gz ILBGOULBMPQGSU-OAHLLOKOSA-N 0 0 426.369 4.626 50 0 IJAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cs1)c1ccc(F)cc1F ZINC000097987480 557183871 /nfs/dbraw/zinc/18/38/71/557183871.db2.gz ZUZDKPZMOPFEDW-VCHYOVAHSA-N 0 0 439.443 4.759 50 0 IJAARN Cc1cc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c(C)n1CCc1ccc(F)cc1 ZINC000024988102 557186829 /nfs/dbraw/zinc/18/68/29/557186829.db2.gz MPDILDYNKZSLPN-HXUWFJFHSA-N 0 0 426.315 4.797 50 0 IJAARN Cc1nn(CCC(=O)N[C@H](C)c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000025049174 557191068 /nfs/dbraw/zinc/19/10/68/557191068.db2.gz BTRZGNKOTAIJTH-VQTJNVASSA-N 0 0 446.595 4.577 50 0 IJAARN C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)cc21 ZINC000100887990 557198244 /nfs/dbraw/zinc/19/82/44/557198244.db2.gz QCBMDOKWWUSYIP-HNNXBMFYSA-N 0 0 444.516 4.617 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1sccc1-c1ccc(C)cc1 ZINC000013986748 557205800 /nfs/dbraw/zinc/20/58/00/557205800.db2.gz IRHJRJDQXMEJII-UHFFFAOYSA-N 0 0 425.506 4.885 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)Nc2ccccc2)C2CC2)o1 ZINC000033371003 557205928 /nfs/dbraw/zinc/20/59/28/557205928.db2.gz KUMHSXRHYZDGDU-UHFFFAOYSA-N 0 0 431.536 4.856 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 ZINC000011617347 557212938 /nfs/dbraw/zinc/21/29/38/557212938.db2.gz YHEOFOREFRNDPY-UHFFFAOYSA-N 0 0 431.583 4.668 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000072242667 557216036 /nfs/dbraw/zinc/21/60/36/557216036.db2.gz MKFAJKCAIPGZOI-UHFFFAOYSA-N 0 0 434.540 4.583 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c1 ZINC000025581404 557216431 /nfs/dbraw/zinc/21/64/31/557216431.db2.gz WMNZOPPESRYYDQ-FQEVSTJZSA-N 0 0 442.972 4.694 50 0 IJAARN COc1cn(-c2ccccc2)nc1C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000025737476 557223876 /nfs/dbraw/zinc/22/38/76/557223876.db2.gz ACMQCJOKEJHPHC-UHFFFAOYSA-N 0 0 447.516 4.561 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000025899168 557229710 /nfs/dbraw/zinc/22/97/10/557229710.db2.gz CANQSZCVZOQCHV-JOCHJYFZSA-N 0 0 436.602 4.836 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(OC(C)C)n1 ZINC000011613284 557230533 /nfs/dbraw/zinc/23/05/33/557230533.db2.gz YGSRKIGXQNOSQQ-UHFFFAOYSA-N 0 0 435.484 4.731 50 0 IJAARN C[C@@H](c1ccccc1)n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000026035034 557232479 /nfs/dbraw/zinc/23/24/79/557232479.db2.gz PJBXFIQYDNTNNU-KRWDZBQOSA-N 0 0 443.528 4.706 50 0 IJAARN Cc1ccc([C@H](c2ccccc2C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000072260009 557232650 /nfs/dbraw/zinc/23/26/50/557232650.db2.gz KABCTMMCQAWYKB-AREMUKBSSA-N 0 0 434.605 4.708 50 0 IJAARN C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000026065725 557233145 /nfs/dbraw/zinc/23/31/45/557233145.db2.gz QAANUVVUCDGRPP-MRXNPFEDSA-N 0 0 439.357 4.719 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(Cl)cc3F)n2)cc1F ZINC000098211453 557234877 /nfs/dbraw/zinc/23/48/77/557234877.db2.gz QQDXJRUINZBDRU-UHFFFAOYSA-N 0 0 444.825 4.784 50 0 IJAARN COc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000018074558 557235362 /nfs/dbraw/zinc/23/53/62/557235362.db2.gz CBWIDXBMZCXKKP-QHCPKHFHSA-N 0 0 430.504 4.512 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(F)c(Cl)c3)n2)cc1OC ZINC000098212299 557235701 /nfs/dbraw/zinc/23/57/01/557235701.db2.gz PBBIBZJLIXXKLZ-INIZCTEOSA-N 0 0 431.851 4.524 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1Cc2ccccc2O1 ZINC000026130181 557235846 /nfs/dbraw/zinc/23/58/46/557235846.db2.gz ILABQJDLNMZUSS-NHCUHLMSSA-N 0 0 437.421 4.791 50 0 IJAARN O=C(Cc1csc(-c2ccccn2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000026364667 557239771 /nfs/dbraw/zinc/23/97/71/557239771.db2.gz XWNLTAJTQIBXHB-MRXNPFEDSA-N 0 0 436.562 4.570 50 0 IJAARN CSc1nc(C)c(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c(C)n1 ZINC000026364686 557239793 /nfs/dbraw/zinc/23/97/93/557239793.db2.gz IFWKKXTZLGFSLQ-MRXNPFEDSA-N 0 0 442.610 4.570 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000026435082 557240941 /nfs/dbraw/zinc/24/09/41/557240941.db2.gz JQCGZWLZFCKYSA-OAHLLOKOSA-N 0 0 440.594 4.604 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccccc1 ZINC000032951331 557242619 /nfs/dbraw/zinc/24/26/19/557242619.db2.gz YSWGTMFDXVNRGS-UHFFFAOYSA-N 0 0 428.492 4.702 50 0 IJAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Br ZINC000024933598 557244191 /nfs/dbraw/zinc/24/41/91/557244191.db2.gz KGDNUZJQMYHKIO-IBGZPJMESA-N 0 0 428.305 4.640 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000018164211 557244510 /nfs/dbraw/zinc/24/45/10/557244510.db2.gz OYSNSTSTZBQQKS-UHFFFAOYSA-N 0 0 446.425 4.511 50 0 IJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000018157541 557244550 /nfs/dbraw/zinc/24/45/50/557244550.db2.gz WZZYRAMYMFZFCN-UHFFFAOYSA-N 0 0 425.488 4.631 50 0 IJAARN CCOC(=O)Nc1cccc(C(=O)NCCSCc2ccc(Br)s2)c1 ZINC000018161461 557244843 /nfs/dbraw/zinc/24/48/43/557244843.db2.gz RYPMMKYCMVBDBL-UHFFFAOYSA-N 0 0 443.388 4.742 50 0 IJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000026790311 557248879 /nfs/dbraw/zinc/24/88/79/557248879.db2.gz KCVBQDBUJGVOEI-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN COc1cc2c(cc1NC(=O)CCN1c3ccccc3O[C@@H](C)C1=O)oc1ccccc12 ZINC000018230696 557253412 /nfs/dbraw/zinc/25/34/12/557253412.db2.gz BTBMMDKJQJIDKY-HNNXBMFYSA-N 0 0 430.460 4.737 50 0 IJAARN CCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000018286432 557255934 /nfs/dbraw/zinc/25/59/34/557255934.db2.gz HHBXXJRWUPHXBP-UHFFFAOYSA-N 0 0 441.601 4.530 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027344520 557260614 /nfs/dbraw/zinc/26/06/14/557260614.db2.gz QOQUKCKXRAULSY-QFIPXVFZSA-N 0 0 440.950 4.849 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000100488502 557261976 /nfs/dbraw/zinc/26/19/76/557261976.db2.gz CJTLEQZYYZCEDZ-MRXNPFEDSA-N 0 0 432.119 4.859 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000072271217 557264510 /nfs/dbraw/zinc/26/45/10/557264510.db2.gz FBULOQBAJCNJQP-SFHVURJKSA-N 0 0 448.592 4.778 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccc(F)cc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101282047 557267123 /nfs/dbraw/zinc/26/71/23/557267123.db2.gz MHKUXULDANXEIX-MRXNPFEDSA-N 0 0 440.478 4.757 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4c(cccc4Cl)[nH]3)cc2)cc1OC ZINC000072271993 557267311 /nfs/dbraw/zinc/26/73/11/557267311.db2.gz NIAPYWVNLZEPPM-UHFFFAOYSA-N 0 0 443.912 4.701 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)cc2)ns1)c1ccc(Br)o1 ZINC000027663317 557269348 /nfs/dbraw/zinc/26/93/48/557269348.db2.gz VGSBUPJYLHKAED-UHFFFAOYSA-N 0 0 429.093 4.575 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 ZINC000027663790 557269978 /nfs/dbraw/zinc/26/99/78/557269978.db2.gz GRLRDFPTDWMKMG-UHFFFAOYSA-N 0 0 426.494 4.960 50 0 IJAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000000829761 557272379 /nfs/dbraw/zinc/27/23/79/557272379.db2.gz QWBBDVFSTRTUKN-UHFFFAOYSA-N 0 0 434.492 4.813 50 0 IJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000829943 557272674 /nfs/dbraw/zinc/27/26/74/557272674.db2.gz LIGRXNMPVQTRFQ-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3sc(C)c(CC)c3c(=O)n2C[C@@H]2CCCO2)n1 ZINC000027771902 557273487 /nfs/dbraw/zinc/27/34/87/557273487.db2.gz WBYKHUAYPUHQPA-KBPBESRZSA-N 0 0 448.614 4.697 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000101078858 557282553 /nfs/dbraw/zinc/28/25/53/557282553.db2.gz DXFAMYRPYYQBOG-ZNZDAUKMSA-N 0 0 441.325 4.627 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101391547 557283115 /nfs/dbraw/zinc/28/31/15/557283115.db2.gz LUHUVJPKEOSKHP-ZUOKHONESA-N 0 0 447.988 4.783 50 0 IJAARN Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2C ZINC000101470853 557290486 /nfs/dbraw/zinc/29/04/86/557290486.db2.gz RHBXQOOSNRXRGT-HXUWFJFHSA-N 0 0 429.907 4.650 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000101900390 557296441 /nfs/dbraw/zinc/29/64/41/557296441.db2.gz DXFAMYRPYYQBOG-VMDGZTHMSA-N 0 0 441.325 4.627 50 0 IJAARN CCCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000014093132 557302115 /nfs/dbraw/zinc/30/21/15/557302115.db2.gz FZSZDGROEHVULX-JKSUJKDBSA-N 0 0 427.545 4.694 50 0 IJAARN CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(Cl)(Cl)Cl)cc1 ZINC000101875623 557304418 /nfs/dbraw/zinc/30/44/18/557304418.db2.gz YIDCSLWNSCOSEK-GOSISDBHSA-N 0 0 437.714 4.665 50 0 IJAARN CCc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(CC)cc3)CC2=O)cc1 ZINC000101880794 557304953 /nfs/dbraw/zinc/30/49/53/557304953.db2.gz SUBBPIBQJKDHLA-UHFFFAOYSA-N 0 0 426.520 4.703 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)cc1F ZINC000101880921 557305081 /nfs/dbraw/zinc/30/50/81/557305081.db2.gz DWAFHSYYIPKNID-UHFFFAOYSA-N 0 0 436.874 4.679 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN1c2ncccc2N=C(c2ccc(F)cc2)CC1=O ZINC000101881151 557305175 /nfs/dbraw/zinc/30/51/75/557305175.db2.gz WXNPXGRSBSZXKW-UHFFFAOYSA-N 0 0 430.483 4.588 50 0 IJAARN CCc1c(C)sc2nc(SCc3nc(C)no3)n(-c3ccc(C)c(C)c3)c(=O)c12 ZINC000071833911 557307599 /nfs/dbraw/zinc/30/75/99/557307599.db2.gz RGIYJGBGDIWOGF-UHFFFAOYSA-N 0 0 426.567 4.919 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCCC1=N2 ZINC000101945818 557308085 /nfs/dbraw/zinc/30/80/85/557308085.db2.gz GPUQBUCANHUFGJ-HNNXBMFYSA-N 0 0 440.341 4.924 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)c(Br)c1 ZINC000101945832 557308172 /nfs/dbraw/zinc/30/81/72/557308172.db2.gz HILQYERLIZZNKN-AWEZNQCLSA-N 0 0 426.314 4.615 50 0 IJAARN CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N(C)CCc3ccccc3)cc2)n1 ZINC000023326504 557312112 /nfs/dbraw/zinc/31/21/12/557312112.db2.gz PEBWHFIAOVWNTM-IBGZPJMESA-N 0 0 433.552 4.877 50 0 IJAARN COc1cccc(CC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023326608 557312436 /nfs/dbraw/zinc/31/24/36/557312436.db2.gz JPNCMUNFUMJBQK-AREMUKBSSA-N 0 0 434.967 4.825 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cn1 ZINC000032904769 557317038 /nfs/dbraw/zinc/31/70/38/557317038.db2.gz LUYXILNJWXSUSG-UHFFFAOYSA-N 0 0 436.320 4.750 50 0 IJAARN CCOc1cc(/C=C/C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc(Cl)c1OC ZINC000032915944 557318134 /nfs/dbraw/zinc/31/81/34/557318134.db2.gz YQCXUHJMSHLDMM-RMKNXTFCSA-N 0 0 437.323 4.754 50 0 IJAARN O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000011667515 557320789 /nfs/dbraw/zinc/32/07/89/557320789.db2.gz ZMXUEIGSCMQLDJ-HXUWFJFHSA-N 0 0 447.292 4.977 50 0 IJAARN COc1ccc([C@@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062392 557323315 /nfs/dbraw/zinc/32/33/15/557323315.db2.gz IQQHVDYALFVGLN-OAQYLSRUSA-N 0 0 429.520 4.816 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000102476765 557325032 /nfs/dbraw/zinc/32/50/32/557325032.db2.gz QIUMSRDWUJNJBT-SQJMNOBHSA-N 0 0 436.577 4.808 50 0 IJAARN C[C@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113952 557326009 /nfs/dbraw/zinc/32/60/09/557326009.db2.gz VSVKYDVNRGLYIW-HNNXBMFYSA-N 0 0 441.934 4.765 50 0 IJAARN COc1cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc(OC)c1OC ZINC000000834954 557330216 /nfs/dbraw/zinc/33/02/16/557330216.db2.gz DDKBJRLFEBIVMX-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3c(c(-c4nnc(-c5ccccc5Cl)o4)nn3C)C2)cc1 ZINC000033283959 557332112 /nfs/dbraw/zinc/33/21/12/557332112.db2.gz QJHMATIKLPWAEH-UHFFFAOYSA-N 0 0 448.914 4.689 50 0 IJAARN Cc1cccc(C(=O)N[C@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)c1 ZINC000000836729 557336279 /nfs/dbraw/zinc/33/62/79/557336279.db2.gz ZESSZCVWILCCMK-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000014473593 557338434 /nfs/dbraw/zinc/33/84/34/557338434.db2.gz XMNGTAXNACJEAH-UHFFFAOYSA-N 0 0 429.007 4.908 50 0 IJAARN CN(C)c1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023331429 557344253 /nfs/dbraw/zinc/34/42/53/557344253.db2.gz ZPRGWTXAIDGEDS-RUZDIDTESA-N 0 0 433.983 4.953 50 0 IJAARN COc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000023332766 557346301 /nfs/dbraw/zinc/34/63/01/557346301.db2.gz KFPVBNMIVMAEDZ-AREMUKBSSA-N 0 0 430.548 4.560 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000023437832 557354556 /nfs/dbraw/zinc/35/45/56/557354556.db2.gz NGRDMXWHWHBYBU-GOSISDBHSA-N 0 0 447.535 4.597 50 0 IJAARN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc5c(c4)OCCO5)n[nH]3)cc2)c1 ZINC000023448417 557356013 /nfs/dbraw/zinc/35/60/13/557356013.db2.gz LRBXONGHCXHXDB-UHFFFAOYSA-N 0 0 425.488 4.753 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)cc1 ZINC000023441049 557357939 /nfs/dbraw/zinc/35/79/39/557357939.db2.gz XAQJBQWEYFJESG-UHFFFAOYSA-N 0 0 427.504 4.733 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2c(F)cccc2F)cc1 ZINC000023447381 557359248 /nfs/dbraw/zinc/35/92/48/557359248.db2.gz VWEBNGPBQFJQFS-XMMPIXPASA-N 0 0 439.458 4.779 50 0 IJAARN C[C@@H]1c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc3c2N(CCC3)C1=O ZINC000102655040 557361596 /nfs/dbraw/zinc/36/15/96/557361596.db2.gz YVGNZLRLTDYINE-SNVBAGLBSA-N 0 0 444.862 4.556 50 0 IJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1 ZINC000023457680 557363285 /nfs/dbraw/zinc/36/32/85/557363285.db2.gz VBLYCUCDQNMJGH-UHFFFAOYSA-N 0 0 437.450 4.562 50 0 IJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000023507676 557364507 /nfs/dbraw/zinc/36/45/07/557364507.db2.gz RZVJPGOLEMTDMI-AWEZNQCLSA-N 0 0 448.466 4.738 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)sc2Cl)cc1OCC ZINC000023533274 557365441 /nfs/dbraw/zinc/36/54/41/557365441.db2.gz DKKFAROJPYNLJL-UHFFFAOYSA-N 0 0 431.341 4.563 50 0 IJAARN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102707319 557367305 /nfs/dbraw/zinc/36/73/05/557367305.db2.gz UXQUZXKOZPXCFG-DNVJHFABSA-N 0 0 448.906 4.708 50 0 IJAARN CCC1=CO[C@](CC)([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)CC1 ZINC000102728049 557370645 /nfs/dbraw/zinc/37/06/45/557370645.db2.gz SCQXXMAARAHUFR-LNEBKTTKSA-N 0 0 432.520 4.618 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@H](/C=C/c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102712379 557374114 /nfs/dbraw/zinc/37/41/14/557374114.db2.gz UAQNUKKWBAOTLT-XDZHXQNBSA-N 0 0 428.492 4.906 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@@H](/C=C/c4ccccc4)CC3=Nc3ncnn32)c(OC)c1 ZINC000102712388 557374130 /nfs/dbraw/zinc/37/41/30/557374130.db2.gz UAQNUKKWBAOTLT-FCHMQAOLSA-N 0 0 428.492 4.906 50 0 IJAARN Cc1ccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000102720209 557375949 /nfs/dbraw/zinc/37/59/49/557375949.db2.gz PRWRJGNDJHHWEO-QLBJFCOMSA-N 0 0 426.516 4.971 50 0 IJAARN COc1ccc(-c2ccc(OCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)cc1 ZINC000023997121 557390536 /nfs/dbraw/zinc/39/05/36/557390536.db2.gz XJKXEKXTVJBSGA-UHFFFAOYSA-N 0 0 425.488 4.628 50 0 biogenic IJAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102800956 557390607 /nfs/dbraw/zinc/39/06/07/557390607.db2.gz CFQMZJGTRPLWLR-WZYRSQIMSA-N 0 0 448.950 4.598 50 0 IJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2cccc(Br)c2)CCS3)cc1 ZINC000024023420 557391503 /nfs/dbraw/zinc/39/15/03/557391503.db2.gz QLEZIYLYSGGUQS-UHFFFAOYSA-N 0 0 428.355 4.657 50 0 IJAARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1OC ZINC000102835094 557394330 /nfs/dbraw/zinc/39/43/30/557394330.db2.gz OLDGUXXTAJSRNM-RNODOKPDSA-N 0 0 436.443 4.855 50 0 IJAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1I ZINC000024103993 557396178 /nfs/dbraw/zinc/39/61/78/557396178.db2.gz NQXGCVRJBNGNFH-UHFFFAOYSA-N 0 0 428.316 4.989 50 0 IJAARN Cc1csc(-n2nc(C(=O)NCCc3c[nH]c4ccccc34)cc2-c2ccccc2)n1 ZINC000033435902 557398200 /nfs/dbraw/zinc/39/82/00/557398200.db2.gz IWVLMGASJZCSDB-UHFFFAOYSA-N 0 0 427.533 4.758 50 0 IJAARN COc1ccc(NC=C(c2nnc(C(F)(F)F)n2-c2ccc(Cl)cc2)[N+](=O)[O-])cc1 ZINC000100363551 557401183 /nfs/dbraw/zinc/40/11/83/557401183.db2.gz KUFROUMOEUDEEE-GDNBJRDFSA-N 0 0 439.781 4.635 50 0 IJAARN C[C@@H]1C[C@@H](C)C[NH+]([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C1 ZINC000102894359 557406028 /nfs/dbraw/zinc/40/60/28/557406028.db2.gz UGBMOBXBDYNTMY-HBUWYVDXSA-N 0 0 426.517 4.963 50 0 IJAARN CCOC(=O)C(=C(O)CSc1ncc(-c2ccccc2)n1C1CC1)c1nc(C)cs1 ZINC000103035076 557416317 /nfs/dbraw/zinc/41/63/17/557416317.db2.gz MDROEQAFHRMYKC-IBGZPJMESA-N 0 0 441.578 4.658 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1F)C(=O)/C=C/c1ccccc1 ZINC000033601196 557419258 /nfs/dbraw/zinc/41/92/58/557419258.db2.gz QGSPOZYSCWZFRP-BTUVCSFDSA-N 0 0 445.538 4.511 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@H]1c1cccs1 ZINC000103726124 557440728 /nfs/dbraw/zinc/44/07/28/557440728.db2.gz KNWWWAXPHDBEDC-AVDACDSBSA-N 0 0 440.609 4.616 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C)nc3ccccc3c2=O)nc1 ZINC000103966280 557443547 /nfs/dbraw/zinc/44/35/47/557443547.db2.gz XTVXNUHVRKGZIB-QGZVFWFLSA-N 0 0 430.533 4.517 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000014793300 557452888 /nfs/dbraw/zinc/45/28/88/557452888.db2.gz VLNJNMLHJLUTGQ-RMKNXTFCSA-N 0 0 432.904 4.755 50 0 IJAARN Cc1cc(C)n(-c2ccc(SCc3csc(COc4ccc(F)cc4)n3)nn2)n1 ZINC000014802650 557456961 /nfs/dbraw/zinc/45/69/61/557456961.db2.gz UZTIURSPKYFTQM-UHFFFAOYSA-N 0 0 427.530 4.746 50 0 IJAARN COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000051315308 557463433 /nfs/dbraw/zinc/46/34/33/557463433.db2.gz MKGATXKXRFKLFZ-UHFFFAOYSA-N 0 0 428.750 4.654 50 0 IJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N(C)Cc1ccco1 ZINC000015767324 557463773 /nfs/dbraw/zinc/46/37/73/557463773.db2.gz YXIZBMNXKWOLAJ-CCEZHUSRSA-N 0 0 427.504 4.872 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000105022393 557473046 /nfs/dbraw/zinc/47/30/46/557473046.db2.gz RYTWGYVPNQYVKC-AAIMPIBUSA-N 0 0 425.548 4.966 50 0 IJAARN CCn1ncc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)c1C ZINC000036614325 557516746 /nfs/dbraw/zinc/51/67/46/557516746.db2.gz ZJLKEQCNQGRUAH-UHFFFAOYSA-N 0 0 445.470 4.962 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012048586 557525060 /nfs/dbraw/zinc/52/50/60/557525060.db2.gz RVTDEOFUUXCEMP-UHFFFAOYSA-N 0 0 435.915 4.581 50 0 IJAARN CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1cccnc1 ZINC000012062615 557525947 /nfs/dbraw/zinc/52/59/47/557525947.db2.gz FWKYRIRPIODUDF-UHFFFAOYSA-N 0 0 435.848 4.817 50 0 IJAARN COc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)c1 ZINC000106571524 557530367 /nfs/dbraw/zinc/53/03/67/557530367.db2.gz WXVHVBRMDLKKRW-UHFFFAOYSA-N 0 0 437.883 4.877 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000211077582 557533900 /nfs/dbraw/zinc/53/39/00/557533900.db2.gz KWCOIKBBXKUXQA-UHFFFAOYSA-N 0 0 440.385 4.780 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000044803850 557537346 /nfs/dbraw/zinc/53/73/46/557537346.db2.gz OALCWRKYVSAWEU-GOSISDBHSA-N 0 0 438.959 4.605 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2c3cccnc3sc2c1=O ZINC000045895714 557546429 /nfs/dbraw/zinc/54/64/29/557546429.db2.gz HZYHFAFBRNSLHP-CQSZACIVSA-N 0 0 432.427 4.615 50 0 IJAARN CSc1cccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4C)oc3C)c2C)c1 ZINC000045900445 557547057 /nfs/dbraw/zinc/54/70/57/557547057.db2.gz GPGZGIVDXIPGMA-UHFFFAOYSA-N 0 0 434.521 4.926 50 0 IJAARN Cc1ccc(Sc2cc3c(cc2NC(=O)COc2ccccc2C)n(C)c(=O)n3C)cc1 ZINC000045940967 557549362 /nfs/dbraw/zinc/54/93/62/557549362.db2.gz IAZQGGNMYGDALJ-UHFFFAOYSA-N 0 0 447.560 4.663 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000045941280 557550795 /nfs/dbraw/zinc/55/07/95/557550795.db2.gz NTMJXPUZXJVFTE-UHFFFAOYSA-N 0 0 435.119 4.958 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942136 557551744 /nfs/dbraw/zinc/55/17/44/557551744.db2.gz COCBGGSADNMWHJ-DEOSSOPVSA-N 0 0 449.478 4.904 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@@H]2c2ccccc2)cc1 ZINC000045942100 557551773 /nfs/dbraw/zinc/55/17/73/557551773.db2.gz YQQUSZKHAFXFMR-XMMPIXPASA-N 0 0 431.488 4.765 50 0 IJAARN Cc1cc(NC(=O)Cn2c(C)nc3c4ccccc4sc3c2=O)ccc1Br ZINC000045942971 557552157 /nfs/dbraw/zinc/55/21/57/557552157.db2.gz PRJFSMVCHDEAOX-UHFFFAOYSA-N 0 0 442.338 4.629 50 0 IJAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc2c(c1)OCCO2 ZINC000045943213 557552412 /nfs/dbraw/zinc/55/24/12/557552412.db2.gz FVKBZPHJYAFQEW-UHFFFAOYSA-N 0 0 447.310 4.606 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c(C)c1 ZINC000045961912 557556979 /nfs/dbraw/zinc/55/69/79/557556979.db2.gz GXRRZICHRZKLPM-UHFFFAOYSA-N 0 0 434.517 4.823 50 0 IJAARN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc2sc(N3CCCC3)nc2s1 ZINC000225421965 557721396 /nfs/dbraw/zinc/72/13/96/557721396.db2.gz WXWNSUUIGHLYRT-LBPRGKRZSA-N 0 0 442.393 4.728 50 0 IJAARN CCOc1cc(CNc2ccc(C(N)=O)c(F)c2)ccc1OCCOc1ccc(C)cc1 ZINC000225430891 557722311 /nfs/dbraw/zinc/72/23/11/557722311.db2.gz BGIARSXXQCYRGE-UHFFFAOYSA-N 0 0 438.499 4.702 50 0 IJAARN Cn1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc21 ZINC000225486274 557728445 /nfs/dbraw/zinc/72/84/45/557728445.db2.gz QEZMINVRJCRUCB-IBGZPJMESA-N 0 0 434.298 4.868 50 0 IJAARN Cc1c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000225493242 557729650 /nfs/dbraw/zinc/72/96/50/557729650.db2.gz FLEKJQGWBYHJBU-UHFFFAOYSA-N 0 0 446.477 4.735 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000226828112 557809683 /nfs/dbraw/zinc/80/96/83/557809683.db2.gz IMAMIZIOEHBMBJ-ISJGIBHGSA-N 0 0 437.499 4.836 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)cc1 ZINC000012437377 557839323 /nfs/dbraw/zinc/83/93/23/557839323.db2.gz HAAHDJUNRQKFGH-IZHYLOQSSA-N 0 0 433.485 4.578 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000000866419 557839753 /nfs/dbraw/zinc/83/97/53/557839753.db2.gz QJSKXYLORXNLBU-DOTOQJQBSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Cl ZINC000000881932 557852966 /nfs/dbraw/zinc/85/29/66/557852966.db2.gz IRMMSVZEWJSADA-UHFFFAOYSA-N 0 0 438.896 4.679 50 0 IJAARN O=C(NCc1cccs1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866911 562919476 /nfs/dbraw/zinc/91/94/76/562919476.db2.gz QWEBPXLVJBQLNB-JQWIXIFHSA-N 0 0 430.839 4.781 50 0 IJAARN COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000001259849 562921058 /nfs/dbraw/zinc/92/10/58/562921058.db2.gz MLNLMDQZKUYJES-UHFFFAOYSA-N 0 0 441.534 4.616 50 0 IJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001422287 562921771 /nfs/dbraw/zinc/92/17/71/562921771.db2.gz QDZROIKYSULIQJ-VWLOTQADSA-N 0 0 441.487 4.939 50 0 IJAARN CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc21 ZINC000002353877 562927122 /nfs/dbraw/zinc/92/71/22/562927122.db2.gz NCNXKHROOPHKLM-HXUWFJFHSA-N 0 0 444.556 4.775 50 0 IJAARN CCCCOc1ccccc1/C=c1/sc2nc(-c3oc4ccccc4c3C)nn2c1=O ZINC000002365691 562927235 /nfs/dbraw/zinc/92/72/35/562927235.db2.gz VPCUNDBZLOHKTM-XSFVSMFZSA-N 0 0 431.517 4.599 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(F)cc3)c2oc1-c1ccccc1 ZINC000002656549 562929447 /nfs/dbraw/zinc/92/94/47/562929447.db2.gz PHFGXOPYMIHUAU-UHFFFAOYSA-N 0 0 431.419 4.703 50 0 IJAARN O=C(c1ccc(Br)o1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724507 562930021 /nfs/dbraw/zinc/93/00/21/562930021.db2.gz SWNAZEZCJVDZBQ-IBGZPJMESA-N 0 0 445.700 4.879 50 0 aggregator IJAARN CCOc1ccc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000002948280 562931025 /nfs/dbraw/zinc/93/10/25/562931025.db2.gz SYRHQPQUKHQLHG-UHFFFAOYSA-N 0 0 432.549 4.934 50 0 IJAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccccc1OC ZINC000002980232 562931408 /nfs/dbraw/zinc/93/14/08/562931408.db2.gz XWIFLEWXWTUPMC-FQEVSTJZSA-N 0 0 427.541 4.653 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc32)C1 ZINC000003007996 562931559 /nfs/dbraw/zinc/93/15/59/562931559.db2.gz VBZOXRREJFYUDY-IBGZPJMESA-N 0 0 432.520 4.716 50 0 IJAARN Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1 ZINC000003409761 562935359 /nfs/dbraw/zinc/93/53/59/562935359.db2.gz NENOFSNVBNTHLF-UHFFFAOYSA-N 0 0 428.315 4.681 50 0 IJAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)CC1 ZINC000004004986 562940752 /nfs/dbraw/zinc/94/07/52/562940752.db2.gz UXMUAKSVPGXTKP-UHFFFAOYSA-N 0 0 448.548 4.567 50 0 IJAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCCC[C@@H]1CO ZINC000004029084 562940780 /nfs/dbraw/zinc/94/07/80/562940780.db2.gz PUWRAXNZOZMMTO-METQABKXSA-N 0 0 435.649 4.793 50 0 biogenic IJAARN CCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000004199640 562942629 /nfs/dbraw/zinc/94/26/29/562942629.db2.gz WLEWYBTZDCMGAN-NRFANRHFSA-N 0 0 443.956 4.706 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 ZINC000004313089 562943058 /nfs/dbraw/zinc/94/30/58/562943058.db2.gz SNBPXMMMSKYCPX-KDOFPFPSSA-N 0 0 448.589 4.975 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1 ZINC000006577919 562947937 /nfs/dbraw/zinc/94/79/37/562947937.db2.gz LYXJGNOOZKYQIK-UHFFFAOYSA-N 0 0 449.555 4.683 50 0 IJAARN O=c1c2cn[nH]c2nc(SCc2cccc(Br)c2)n1-c1ccc(Cl)cc1 ZINC000008583187 562949759 /nfs/dbraw/zinc/94/97/59/562949759.db2.gz VZJMJRVXQWCYEX-UHFFFAOYSA-N 0 0 447.745 4.817 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(C)cc4)nn32)cc1 ZINC000008587316 562950246 /nfs/dbraw/zinc/95/02/46/562950246.db2.gz UOZMOXJVTBIOOH-QHCPKHFHSA-N 0 0 437.503 4.903 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1OC ZINC000008587584 562950314 /nfs/dbraw/zinc/95/03/14/562950314.db2.gz BKMURWCUGPEUFS-UHFFFAOYSA-N 0 0 449.532 4.767 50 0 IJAARN COc1cc(OC)c(N(C)C(=O)c2nn(C)c3c2CSc2ccccc2-3)cc1Cl ZINC000008587795 562950484 /nfs/dbraw/zinc/95/04/84/562950484.db2.gz PACKSNCSJAWSGT-UHFFFAOYSA-N 0 0 429.929 4.640 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000008589176 562951072 /nfs/dbraw/zinc/95/10/72/562951072.db2.gz VTEJNASAGWQISM-LJAQVGFWSA-N 0 0 431.941 4.958 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1ccc(Cl)cc1 ZINC000008592606 562952418 /nfs/dbraw/zinc/95/24/18/562952418.db2.gz BPAGTJSBYVQURR-UHFFFAOYSA-N 0 0 438.314 4.687 50 0 IJAARN CCCCN(C)C(=O)c1ccc2c(c1)nc1sc(Nc3cc(C)ccc3C)nn1c2=O ZINC000008593166 562952569 /nfs/dbraw/zinc/95/25/69/562952569.db2.gz VTDUPDFFPHAYEO-UHFFFAOYSA-N 0 0 435.553 4.537 50 0 IJAARN O=C(CN1c2ccccc2C(c2ccccc2)=NCC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008595218 562953420 /nfs/dbraw/zinc/95/34/20/562953420.db2.gz YRGJUYYKVWLWPL-UHFFFAOYSA-N 0 0 437.421 4.528 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(Cl)cc1 ZINC000008595907 562953745 /nfs/dbraw/zinc/95/37/45/562953745.db2.gz RFOMNPXFWXDLAL-UHFFFAOYSA-N 0 0 427.957 4.648 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 ZINC000008596202 562953752 /nfs/dbraw/zinc/95/37/52/562953752.db2.gz JBADYEUXUHVJRZ-UHFFFAOYSA-N 0 0 442.556 4.764 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)NCc3ccccc3Cl)c(C)o2)cc1OC ZINC000008597254 562953958 /nfs/dbraw/zinc/95/39/58/562953958.db2.gz UCGNOVIJSWBYLP-UHFFFAOYSA-N 0 0 446.956 4.870 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NCc3cccc(Br)c3)c12 ZINC000008598042 562954184 /nfs/dbraw/zinc/95/41/84/562954184.db2.gz WJFQQTBDIHNAKX-UHFFFAOYSA-N 0 0 435.325 4.730 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000008600482 562955034 /nfs/dbraw/zinc/95/50/34/562955034.db2.gz QRUQGHOICCQHTG-UHFFFAOYSA-N 0 0 427.552 4.564 50 0 IJAARN COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000008601662 562955566 /nfs/dbraw/zinc/95/55/66/562955566.db2.gz DLBWJHZOHZSDND-UHFFFAOYSA-N 0 0 443.554 4.538 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cc1 ZINC000008602134 562955805 /nfs/dbraw/zinc/95/58/05/562955805.db2.gz HMXNECBRYRNWKF-UHFFFAOYSA-N 0 0 445.538 4.805 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000008603124 562955937 /nfs/dbraw/zinc/95/59/37/562955937.db2.gz QNAOOFOYPRWNSY-UHFFFAOYSA-N 0 0 432.455 4.581 50 0 aggregator IJAARN O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1CCc1ccccc1 ZINC000008603859 562956123 /nfs/dbraw/zinc/95/61/23/562956123.db2.gz HBVLUBWQQIAIML-UHFFFAOYSA-N 0 0 430.504 4.808 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2c1 ZINC000008605106 562956574 /nfs/dbraw/zinc/95/65/74/562956574.db2.gz USQBZCOOEVOHCC-QGZVFWFLSA-N 0 0 444.000 4.924 50 0 IJAARN COc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(OC)c1 ZINC000008608535 562957506 /nfs/dbraw/zinc/95/75/06/562957506.db2.gz PJAQQCBPKJDALF-UHFFFAOYSA-N 0 0 434.901 4.690 50 0 IJAARN CCCCN(C)C(=O)Cn1c2ccccc2nc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000008608962 562957576 /nfs/dbraw/zinc/95/75/76/562957576.db2.gz MPAYXVBRWNWBGR-UHFFFAOYSA-N 0 0 438.597 4.642 50 0 IJAARN CCOc1cc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)ccc1OC ZINC000008611168 562958383 /nfs/dbraw/zinc/95/83/83/562958383.db2.gz LHULHXAPBHWKNU-UHFFFAOYSA-N 0 0 430.504 4.950 50 0 IJAARN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(OC)c(Br)c3)sc1CC2 ZINC000008611501 562958635 /nfs/dbraw/zinc/95/86/35/562958635.db2.gz VRUJYQKUCHJGLA-UHFFFAOYSA-N 0 0 445.338 4.941 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)coc2c1C ZINC000008611913 562958779 /nfs/dbraw/zinc/95/87/79/562958779.db2.gz OZXXDSKFNGKXOY-KRWDZBQOSA-N 0 0 440.565 4.794 50 0 aggregator IJAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Cl ZINC000008613857 562959478 /nfs/dbraw/zinc/95/94/78/562959478.db2.gz QMRGVZXUMKHEJP-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1nc(SCC)ncc1Cl)CCCC2 ZINC000008614296 562959652 /nfs/dbraw/zinc/95/96/52/562959652.db2.gz KEPBJAAYVOVNDW-UHFFFAOYSA-N 0 0 425.963 4.611 50 0 IJAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008671590 562960899 /nfs/dbraw/zinc/96/08/99/562960899.db2.gz LPHZQKMYLPRSMD-NSHDSACASA-N 0 0 425.341 4.504 50 0 IJAARN COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000008672285 562961086 /nfs/dbraw/zinc/96/10/86/562961086.db2.gz PLHDYMBSONOSQC-UHFFFAOYSA-N 0 0 438.892 4.953 50 0 aggregator IJAARN COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)c1 ZINC000008673923 562961368 /nfs/dbraw/zinc/96/13/68/562961368.db2.gz WQYQLTRHDIBURB-UHFFFAOYSA-N 0 0 439.518 4.881 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)N[C@H](C)CCc3ccco3)c(C)n2n1 ZINC000008680535 562961570 /nfs/dbraw/zinc/96/15/70/562961570.db2.gz VCINWMGQKDKGHI-QGZVFWFLSA-N 0 0 446.551 4.685 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000009463760 562971531 /nfs/dbraw/zinc/97/15/31/562971531.db2.gz ILADCPXUSGZMCO-UHFFFAOYSA-N 0 0 428.916 4.739 50 0 IJAARN COCCNc1oc2c(c1-c1cc(OC)c(OC)c(OC)c1)c(=O)oc1c(C)cccc21 ZINC000010383515 562978678 /nfs/dbraw/zinc/97/86/78/562978678.db2.gz UVOGQHDKDVEQPJ-UHFFFAOYSA-N 0 0 439.464 4.599 50 0 biogenic IJAARN CCC(=O)c1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000013003265 562983869 /nfs/dbraw/zinc/98/38/69/562983869.db2.gz CSTJHKIYFZZDGB-UHFFFAOYSA-N 0 0 439.899 4.553 50 0 IJAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058139167 563143519 /nfs/dbraw/zinc/14/35/19/563143519.db2.gz ZKVPNRZKURKOSA-UHFFFAOYSA-N 0 0 432.273 4.773 50 0 IJAARN COc1cc(OC)c([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000085988107 563179996 /nfs/dbraw/zinc/17/99/96/563179996.db2.gz HBODCVHNBRPTLJ-OXJNMPFZSA-N 0 0 437.323 4.529 50 0 IJAARN Fc1cccc(CN2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)c1 ZINC000023373506 568613879 /nfs/dbraw/zinc/61/38/79/568613879.db2.gz VRUJDRVNAQJWBR-UHFFFAOYSA-N 0 0 442.538 4.707 50 0 IJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1Br ZINC000010970295 568614173 /nfs/dbraw/zinc/61/41/73/568614173.db2.gz PZPAJJYCLJWZIO-UHFFFAOYSA-N 0 0 444.354 4.662 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000106090565 568624824 /nfs/dbraw/zinc/62/48/24/568624824.db2.gz UXSFFIBVFWPHET-YVHKJVDXSA-N 0 0 427.520 4.817 50 0 IJAARN COc1ccccc1-c1noc(Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)n1 ZINC000018960034 568630314 /nfs/dbraw/zinc/63/03/14/568630314.db2.gz VNDPHBALUHPJCP-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000025093011 568635954 /nfs/dbraw/zinc/63/59/54/568635954.db2.gz LRDORRJJEGUOHP-UHFFFAOYSA-N 0 0 437.883 4.936 50 0 IJAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccc(Cl)cc1 ZINC000000901949 568636018 /nfs/dbraw/zinc/63/60/18/568636018.db2.gz GUVSQPVFONJTMN-UHFFFAOYSA-N 0 0 427.835 4.817 50 0 IJAARN Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)NCc2ccccc2)cc1 ZINC000000906871 568636321 /nfs/dbraw/zinc/63/63/21/568636321.db2.gz MLLZNYVBWYSVBL-UHFFFAOYSA-N 0 0 444.560 4.563 50 0 IJAARN Cc1sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000000937713 568639178 /nfs/dbraw/zinc/63/91/78/568639178.db2.gz QUDKODYCZCMYNO-LBPRGKRZSA-N 0 0 425.460 4.911 50 0 IJAARN CCOc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000938172 568639249 /nfs/dbraw/zinc/63/92/49/568639249.db2.gz BMWCWDDPAPBWFD-ZDUSSCGKSA-N 0 0 426.460 4.803 50 0 IJAARN COc1cc(-c2cc(C(=O)NCc3cccc(F)c3)c3ccccc3n2)cc(OC)c1OC ZINC000025146170 568641167 /nfs/dbraw/zinc/64/11/67/568641167.db2.gz IKHSPBDOKXLLOS-UHFFFAOYSA-N 0 0 446.478 4.997 50 0 IJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3c2=O)cc1 ZINC000000940497 568641708 /nfs/dbraw/zinc/64/17/08/568641708.db2.gz XHQXGSZQFSVVEA-UHFFFAOYSA-N 0 0 448.427 4.830 50 0 biogenic IJAARN CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c1 ZINC000086057419 568642839 /nfs/dbraw/zinc/64/28/39/568642839.db2.gz CAYZDMSKERIMSW-INIZCTEOSA-N 0 0 441.940 4.588 50 0 IJAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(I)cc1 ZINC000000948628 568643981 /nfs/dbraw/zinc/64/39/81/568643981.db2.gz GUXWVQDSDWIEMK-UHFFFAOYSA-N 0 0 448.260 4.768 50 0 IJAARN Cc1cc(C(=O)NCc2cccnc2)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025160685 568645482 /nfs/dbraw/zinc/64/54/82/568645482.db2.gz ZDSJLLJPLPFBCH-UHFFFAOYSA-N 0 0 437.478 4.860 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OCC)cc32)c1 ZINC000000952878 568645865 /nfs/dbraw/zinc/64/58/65/568645865.db2.gz AEOXTDSVASMVGH-UHFFFAOYSA-N 0 0 436.464 4.509 50 0 IJAARN O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)N1 ZINC000000981379 568648710 /nfs/dbraw/zinc/64/87/10/568648710.db2.gz WIBNSMMLXVEZJH-MKMNVTDBSA-N 0 0 442.096 4.515 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000000990074 568649030 /nfs/dbraw/zinc/64/90/30/568649030.db2.gz AXOKOZCVNRSQNA-MUUNZHRXSA-N 0 0 425.528 4.881 50 0 IJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCc2ccccc2C1 ZINC000000999566 568649793 /nfs/dbraw/zinc/64/97/93/568649793.db2.gz KSWNDYNTPAFSHT-YJBOKZPZSA-N 0 0 432.471 4.803 50 0 IJAARN CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cn1 ZINC000001002997 568650946 /nfs/dbraw/zinc/65/09/46/568650946.db2.gz JKSUGWRPEYQAAZ-UHFFFAOYSA-N 0 0 435.325 4.811 50 0 IJAARN COC(=O)Cc1c(C)c2c(OCC(=O)c3ccc(Cl)c(Cl)c3)cc(C)cc2oc1=O ZINC000001050231 568654664 /nfs/dbraw/zinc/65/46/64/568654664.db2.gz IQIOUGXWRPOURL-UHFFFAOYSA-N 0 0 449.286 4.694 50 0 IJAARN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 ZINC000001097642 568658821 /nfs/dbraw/zinc/65/88/21/568658821.db2.gz LJXXHABBIKZHFO-SECBINFHSA-N 0 0 425.333 4.665 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)n2C)cc1 ZINC000001134158 568662182 /nfs/dbraw/zinc/66/21/82/568662182.db2.gz OSVUOQVKNOILMG-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN COc1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)cc1OC ZINC000001169002 568676568 /nfs/dbraw/zinc/67/65/68/568676568.db2.gz NKBRXGOHPBNGHP-UHFFFAOYSA-N 0 0 425.666 4.749 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003227639 568743357 /nfs/dbraw/zinc/74/33/57/568743357.db2.gz ZQTZNDJNJGEREE-UHFFFAOYSA-N 0 0 427.465 4.798 50 0 IJAARN CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@@]12C ZINC000257350273 568731290 /nfs/dbraw/zinc/73/12/90/568731290.db2.gz WBDZTYXCQAXFQG-OABPZJNMSA-N 0 0 434.617 4.890 50 0 IJAARN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@](C)(O)C[C@@]12C ZINC000257350271 568731339 /nfs/dbraw/zinc/73/13/39/568731339.db2.gz WBDZTYXCQAXFQG-GRZRSLORSA-N 0 0 434.617 4.890 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000257357941 568731629 /nfs/dbraw/zinc/73/16/29/568731629.db2.gz QVZULXNXCIFMTL-GPQSFZFMSA-N 0 0 430.629 4.973 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000001215199 568739743 /nfs/dbraw/zinc/73/97/43/568739743.db2.gz AOKRQZLDJMOVIE-QUCCMNQESA-N 0 0 444.457 4.525 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784919 568739892 /nfs/dbraw/zinc/73/98/92/568739892.db2.gz PEDOGNHRTWKZKI-CYBMUJFWSA-N 0 0 444.988 4.605 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1OC ZINC000025618179 568740045 /nfs/dbraw/zinc/74/00/45/568740045.db2.gz XZUKKGHHWXWLAT-LJQANCHMSA-N 0 0 442.462 4.933 50 0 IJAARN CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(F)cc4)c(=O)c23)cc1 ZINC000001912002 568742269 /nfs/dbraw/zinc/74/22/69/568742269.db2.gz CBOIYWBJQCOTIN-UHFFFAOYSA-N 0 0 437.496 4.692 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000003252866 568744067 /nfs/dbraw/zinc/74/40/67/568744067.db2.gz IYCLTJXWPALZHY-UHFFFAOYSA-N 0 0 449.506 4.980 50 0 IJAARN O=C(c1nn(-c2ccccc2)cc1[C@@H]1SCC(=O)N1Cc1ccccc1)c1ccccc1 ZINC000003277569 568744839 /nfs/dbraw/zinc/74/48/39/568744839.db2.gz NZVMNBGLIXEIEK-SANMLTNESA-N 0 0 439.540 4.878 50 0 IJAARN O=C(c1nn(-c2ccccc2)cc1[C@H]1SCC(=O)N1Cc1ccccc1)c1ccccc1 ZINC000003277567 568744853 /nfs/dbraw/zinc/74/48/53/568744853.db2.gz NZVMNBGLIXEIEK-AREMUKBSSA-N 0 0 439.540 4.878 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 ZINC000003299047 568745509 /nfs/dbraw/zinc/74/55/09/568745509.db2.gz POUPJMIPTGVIPX-UHFFFAOYSA-N 0 0 449.963 4.756 50 0 IJAARN COc1ccccc1NC(=O)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 ZINC000044004934 568745579 /nfs/dbraw/zinc/74/55/79/568745579.db2.gz QOTDRZMGMRBLNN-UHFFFAOYSA-N 0 0 441.597 4.629 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000003323229 568745993 /nfs/dbraw/zinc/74/59/93/568745993.db2.gz IWSYCRMOQYOQRM-LJQANCHMSA-N 0 0 443.576 4.559 50 0 IJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1F ZINC000003349705 568746741 /nfs/dbraw/zinc/74/67/41/568746741.db2.gz JBMYMVXLYOSYJA-UHFFFAOYSA-N 0 0 433.277 4.574 50 0 IJAARN CCn1c2ccccc2c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1-c1ccccc1 ZINC000003368471 568747773 /nfs/dbraw/zinc/74/77/73/568747773.db2.gz CMVVQQJZOIXMEX-UHFFFAOYSA-N 0 0 446.547 4.751 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003372934 568748279 /nfs/dbraw/zinc/74/82/79/568748279.db2.gz ZGNABPJBSQFXFU-UHFFFAOYSA-N 0 0 426.538 4.773 50 0 IJAARN Cc1cc(Br)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c(Br)c1 ZINC000003385544 568748326 /nfs/dbraw/zinc/74/83/26/568748326.db2.gz KSVPMPWRVQTAMX-LBPRGKRZSA-N 0 0 438.163 4.910 50 0 IJAARN CCCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3S[C@@H](CC)C(=O)N32)cc1 ZINC000003637571 568752266 /nfs/dbraw/zinc/75/22/66/568752266.db2.gz GJMFISPIIIYZSM-ICSRJNTNSA-N 0 0 430.570 4.857 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1 ZINC000003649178 568752756 /nfs/dbraw/zinc/75/27/56/568752756.db2.gz OJCWMOXLFSMRIM-IKVHAALSSA-N 0 0 431.561 4.990 50 0 IJAARN CCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)NC1=S ZINC000003662749 568753902 /nfs/dbraw/zinc/75/39/02/568753902.db2.gz PJTYPOBTCQQBOH-YVLHZVERSA-N 0 0 434.920 4.534 50 0 IJAARN CSc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000015390987 568761450 /nfs/dbraw/zinc/76/14/50/568761450.db2.gz JYSGVLJZAHVNOC-KRWDZBQOSA-N 0 0 439.002 4.634 50 0 IJAARN COc1cc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc(OC)c1 ZINC000001247055 568774744 /nfs/dbraw/zinc/77/47/44/568774744.db2.gz KGCDFTXTJURRHA-UHFFFAOYSA-N 0 0 425.535 4.554 50 0 IJAARN FC(F)(F)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 ZINC000263619181 568777848 /nfs/dbraw/zinc/77/78/48/568777848.db2.gz XIXQAESJHNHDAX-GOSISDBHSA-N 0 0 428.370 4.770 50 0 IJAARN CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000032100632 568780608 /nfs/dbraw/zinc/78/06/08/568780608.db2.gz PJSREMSYSBZKGE-UHFFFAOYSA-N 0 0 435.940 4.740 50 0 IJAARN O=C1c2c(nc(C(F)(F)F)cc2C(F)(F)F)C[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000001385046 568784269 /nfs/dbraw/zinc/78/42/69/568784269.db2.gz IVWIEIAXWFJPRF-CQSZACIVSA-N 0 0 425.332 4.896 50 0 IJAARN O=C(c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000001404985 568786891 /nfs/dbraw/zinc/78/68/91/568786891.db2.gz PPPVGQLTGXGCSQ-UHFFFAOYSA-N 0 0 445.466 4.786 50 0 IJAARN O=C(COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc2ccccc2c1 ZINC000001122813 568788220 /nfs/dbraw/zinc/78/82/20/568788220.db2.gz DNOZSNPNCFQVLE-UHFFFAOYSA-N 0 0 435.435 4.680 50 0 IJAARN Cc1oc(C)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1Br ZINC000084008202 568789707 /nfs/dbraw/zinc/78/97/07/568789707.db2.gz OIJKBZIMMUGEBY-UHFFFAOYSA-N 0 0 434.117 4.676 50 0 IJAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cc(C)n(-c4ccccc4)n3)n2)c1 ZINC000084116925 568793759 /nfs/dbraw/zinc/79/37/59/568793759.db2.gz MCOUXPMNOKFIPN-QHCPKHFHSA-N 0 0 427.508 4.557 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1cccc(Br)c1)OCCO2)c1cccs1 ZINC000001433015 568795455 /nfs/dbraw/zinc/79/54/55/568795455.db2.gz LNJUOMFFORLDIR-UHFFFAOYSA-N 0 0 444.306 4.765 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@H](C)C2)c1C ZINC000084235019 568796507 /nfs/dbraw/zinc/79/65/07/568796507.db2.gz WQRRTBKGNADZIP-YFBXQHAESA-N 0 0 435.568 4.884 50 0 IJAARN Cc1nc2c(cc(OCC(=O)Nc3ccc(Cl)cc3C(N)=O)c3ccsc32)s1 ZINC000084287027 568796974 /nfs/dbraw/zinc/79/69/74/568796974.db2.gz GZMWJVJYWKPPLN-UHFFFAOYSA-N 0 0 431.926 4.589 50 0 IJAARN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000084405337 568797778 /nfs/dbraw/zinc/79/77/78/568797778.db2.gz IUQSHRDIQKHRPX-ROUUACIJSA-N 0 0 433.335 4.680 50 0 IJAARN O=C(Nc1cccc(C2SCCCS2)c1)C(=O)N[C@H]1CCSc2ccccc21 ZINC000084579006 568798789 /nfs/dbraw/zinc/79/87/89/568798789.db2.gz AYNNDRBFPHBAKF-KRWDZBQOSA-N 0 0 430.620 4.847 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000001436985 568800957 /nfs/dbraw/zinc/80/09/57/568800957.db2.gz CTZPNOIPOGQGIQ-HSZRJFAPSA-N 0 0 430.529 4.972 50 0 IJAARN CCN(CC)c1ccc(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1 ZINC000084774508 568801321 /nfs/dbraw/zinc/80/13/21/568801321.db2.gz WYKUWEZRDMBCKN-UHFFFAOYSA-N 0 0 432.528 4.894 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c(C)c1 ZINC000015671334 568803058 /nfs/dbraw/zinc/80/30/58/568803058.db2.gz AXWYAYBJUVYXIG-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(C2CCCC2)C3=O)o1 ZINC000015675823 568803945 /nfs/dbraw/zinc/80/39/45/568803945.db2.gz LJQISQOIYCSVLT-RUZDIDTESA-N 0 0 425.573 4.929 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc(C(C)C)nn2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676586 568804083 /nfs/dbraw/zinc/80/40/83/568804083.db2.gz WIBDCTOZAYJPSP-AREMUKBSSA-N 0 0 436.600 4.963 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000015676297 568804094 /nfs/dbraw/zinc/80/40/94/568804094.db2.gz PHNBFDTYFRAGCH-AREMUKBSSA-N 0 0 436.600 4.747 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000015676213 568804135 /nfs/dbraw/zinc/80/41/35/568804135.db2.gz LIXYMKRRYQLRBO-AREMUKBSSA-N 0 0 436.600 4.611 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015676221 568804195 /nfs/dbraw/zinc/80/41/95/568804195.db2.gz YHIQZNVFTCSOTI-AREMUKBSSA-N 0 0 436.600 4.665 50 0 IJAARN CC[C@H](C)N1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678239 568804777 /nfs/dbraw/zinc/80/47/77/568804777.db2.gz QRPFDNWGUGONFH-BVZFJXPGSA-N 0 0 425.573 4.990 50 0 IJAARN Cc1ccc2c(c1)N(CCC(=O)NCCc1ccc(Cl)cc1)C(=O)c1cccnc1O2 ZINC000015679990 568805907 /nfs/dbraw/zinc/80/59/07/568805907.db2.gz ULRFUYRONCJGSK-UHFFFAOYSA-N 0 0 435.911 4.545 50 0 IJAARN COc1cc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc(OC)c1 ZINC000015720987 568811855 /nfs/dbraw/zinc/81/18/55/568811855.db2.gz JUJSGZJCGDFPGD-QHCPKHFHSA-N 0 0 434.467 4.569 50 0 IJAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015727931 568812957 /nfs/dbraw/zinc/81/29/57/568812957.db2.gz MYLSQAOQELYUPX-UHFFFAOYSA-N 0 0 439.515 4.576 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000015727916 568813044 /nfs/dbraw/zinc/81/30/44/568813044.db2.gz VQIHHZRZWRRRER-UHFFFAOYSA-N 0 0 431.536 4.914 50 0 IJAARN O=C(Nc1ccccc1SCc1cc(=O)n2ccsc2n1)c1ccccc1Cl ZINC000015731983 568815061 /nfs/dbraw/zinc/81/50/61/568815061.db2.gz ZGOPJYHSGIMSKB-UHFFFAOYSA-N 0 0 427.938 4.954 50 0 IJAARN O=C1c2ccccc2C(=O)N1c1ccccc1-c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000001444755 568815262 /nfs/dbraw/zinc/81/52/62/568815262.db2.gz KBEQHFMBEDLRSR-UHFFFAOYSA-N 0 0 444.446 4.955 50 0 IJAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OC)cc1)c2=O ZINC000001448159 568817435 /nfs/dbraw/zinc/81/74/35/568817435.db2.gz KFSNALVAMJRAMD-UHFFFAOYSA-N 0 0 425.437 4.521 50 0 biogenic IJAARN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000001448833 568817508 /nfs/dbraw/zinc/81/75/08/568817508.db2.gz AOLKQLDKORQQFW-JOCHJYFZSA-N 0 0 439.581 4.556 50 0 IJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c2c1OCO2 ZINC000085412406 568818443 /nfs/dbraw/zinc/81/84/43/568818443.db2.gz VLVLMJJTAUIGHF-HXUWFJFHSA-N 0 0 445.541 4.704 50 0 IJAARN Cc1cc(S(=O)(=O)[C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccco2)ccc1F ZINC000015781301 568825810 /nfs/dbraw/zinc/82/58/10/568825810.db2.gz ULUXMDHGLIXGMG-YFZSMNHSSA-N 0 0 445.556 4.575 50 0 IJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000085650225 568830894 /nfs/dbraw/zinc/83/08/94/568830894.db2.gz ZBOOAGYFHMHKOP-INIZCTEOSA-N 0 0 436.537 4.674 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCc3ccco3)cc2)nc1CN1CCc2ccccc21 ZINC000015785965 568834300 /nfs/dbraw/zinc/83/43/00/568834300.db2.gz VTFZVWVRLKVGSR-UHFFFAOYSA-N 0 0 427.504 4.778 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)c1C ZINC000085711287 568835019 /nfs/dbraw/zinc/83/50/19/568835019.db2.gz JBNRJDVEBFQBJV-UHFFFAOYSA-N 0 0 434.536 4.588 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(F)cc2F)c1C ZINC000085712238 568835392 /nfs/dbraw/zinc/83/53/92/568835392.db2.gz RJZKIGHJTSOVSX-UHFFFAOYSA-N 0 0 431.439 4.914 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000001510087 568836055 /nfs/dbraw/zinc/83/60/55/568836055.db2.gz OQLDYXBUILHENB-UHFFFAOYSA-N 0 0 448.548 4.513 50 0 IJAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000101648701 568837206 /nfs/dbraw/zinc/83/72/06/568837206.db2.gz RJVQLNZDMQEKTD-IJQMPONISA-N 0 0 445.518 4.771 50 0 IJAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(OC)c(OC)c3)c21 ZINC000085879321 568839008 /nfs/dbraw/zinc/83/90/08/568839008.db2.gz CPQREUWUNGILLT-GOSISDBHSA-N 0 0 434.492 4.625 50 0 biogenic IJAARN NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(=O)c2ccccc2)cc1 ZINC000001516023 568839585 /nfs/dbraw/zinc/83/95/85/568839585.db2.gz AGIGPTJIMYODJC-RWEWTDSWSA-N 0 0 447.288 4.758 50 0 IJAARN COc1cc(Br)c(-c2cc(OC)c(OC)cc2Br)cc1OC ZINC000000640427 568841684 /nfs/dbraw/zinc/84/16/84/568841684.db2.gz USDDSYZWAYRCCZ-UHFFFAOYSA-N 0 0 432.108 4.913 50 0 IJAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C=CN(S(C)(=O)=O)C=C[C@H]12 ZINC000001711589 568841953 /nfs/dbraw/zinc/84/19/53/568841953.db2.gz PERYMQRKZWVYHA-JPRHTOOBSA-N 0 0 431.557 4.741 50 0 IJAARN Cc1ccc(C)c(CNC(=O)NCCCCCCNC(=O)NCc2cc(C)ccc2C)c1 ZINC000025668597 568842541 /nfs/dbraw/zinc/84/25/41/568842541.db2.gz LUIADSMXVZLAJO-UHFFFAOYSA-N 0 0 438.616 4.779 50 0 IJAARN COc1ccc(COCC[C@@H]2C(=O)C[C@H]3[C@@H]4C[C@H](OC(=O)C(C)(C)C)C[C@H]4C=C[C@@H]23)cc1 ZINC000071786722 568843550 /nfs/dbraw/zinc/84/35/50/568843550.db2.gz WSRLIJYTRPJMSF-BIWVMFSCSA-N 0 0 440.580 4.977 50 0 IJAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F)N1CCC[C@@H]1c1ccco1 ZINC000015835870 568843708 /nfs/dbraw/zinc/84/37/08/568843708.db2.gz AWVVHKMVAGWBNM-QGZVFWFLSA-N 0 0 426.398 4.985 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146816 568846272 /nfs/dbraw/zinc/84/62/72/568846272.db2.gz UMAGKVRWHTXGQG-UHFFFAOYSA-N 0 0 440.830 4.810 50 0 IJAARN COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(N)=O)c(N)c32)cc1OC ZINC000006148025 568846572 /nfs/dbraw/zinc/84/65/72/568846572.db2.gz XYPDUCIKKIXTGW-UHFFFAOYSA-N 0 0 433.533 4.945 50 0 IJAARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(N3CCC(C(N)=O)CC3)n2)cc1 ZINC000015859177 568846962 /nfs/dbraw/zinc/84/69/62/568846962.db2.gz MBPGCJUSQHDDRL-UHFFFAOYSA-N 0 0 432.593 4.754 50 0 IJAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000006161569 568848922 /nfs/dbraw/zinc/84/89/22/568848922.db2.gz IOXQIZKPKGXVCF-UHFFFAOYSA-N 0 0 432.343 4.556 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1C ZINC000015865411 568850138 /nfs/dbraw/zinc/85/01/38/568850138.db2.gz FEAAZIGHESQULF-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN CCc1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000015868179 568851030 /nfs/dbraw/zinc/85/10/30/568851030.db2.gz GVPPRWPTQIVXMA-UHFFFAOYSA-N 0 0 425.414 4.933 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccc(Cl)cc1 ZINC000015880683 568854213 /nfs/dbraw/zinc/85/42/13/568854213.db2.gz CDSUJUOGAQCNDO-UHFFFAOYSA-N 0 0 435.336 4.953 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000015880959 568854451 /nfs/dbraw/zinc/85/44/51/568854451.db2.gz RSNIGDUXDGAGGM-UHFFFAOYSA-N 0 0 430.327 4.648 50 0 IJAARN O=C(N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2cccs2)CCCC1 ZINC000575414896 568862457 /nfs/dbraw/zinc/86/24/57/568862457.db2.gz PGMAIPORBSQORO-SFHVURJKSA-N 0 0 438.014 4.602 50 0 IJAARN Cc1nn(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1-c1ccsc1 ZINC000575612908 568879578 /nfs/dbraw/zinc/87/95/78/568879578.db2.gz PVHQZRROUFMYMZ-UHFFFAOYSA-N 0 0 429.545 4.889 50 0 IJAARN Cc1nc(C(=O)Nc2ncc(Cc3ccccc3F)s2)nn1-c1ccccc1Cl ZINC000063936847 568880983 /nfs/dbraw/zinc/88/09/83/568880983.db2.gz ZRSCGLXWZVSDCN-UHFFFAOYSA-N 0 0 427.892 4.668 50 0 IJAARN Cn1nc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619169 568882709 /nfs/dbraw/zinc/88/27/09/568882709.db2.gz IGTLKMDMFVHNAG-UHFFFAOYSA-N 0 0 433.462 4.817 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000222296316 568885039 /nfs/dbraw/zinc/88/50/39/568885039.db2.gz DSBCAVQWOQYHBC-DSNGMDLFSA-N 0 0 446.522 4.723 50 0 IJAARN Cc1cc(C)n(-c2nc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cs2)n1 ZINC000090609326 568891159 /nfs/dbraw/zinc/89/11/59/568891159.db2.gz CPLNEOMDZYDFSI-UHFFFAOYSA-N 0 0 428.989 4.770 50 0 IJAARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000032669988 568895942 /nfs/dbraw/zinc/89/59/42/568895942.db2.gz DMFAUUXUZKSFIN-JXMROGBWSA-N 0 0 430.407 4.685 50 0 IJAARN O=C(C=Cc1ccc(OCc2ccccn2)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000040079865 568896608 /nfs/dbraw/zinc/89/66/08/568896608.db2.gz BYOCDXMSXRSAHK-SDNWHVSQSA-N 0 0 426.516 4.795 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000012998381 568897715 /nfs/dbraw/zinc/89/77/15/568897715.db2.gz PWCVVZKBKPFOSX-UHFFFAOYSA-N 0 0 438.380 4.628 50 0 IJAARN COc1ccccc1CNc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 ZINC000013030109 568903565 /nfs/dbraw/zinc/90/35/65/568903565.db2.gz RJRSRJNZCDVTGO-UHFFFAOYSA-N 0 0 429.350 4.903 50 0 IJAARN O=C(CCCCCNC(=O)OCc1ccccc1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001750180 568904631 /nfs/dbraw/zinc/90/46/31/568904631.db2.gz YASWDMRUNUXOAJ-UHFFFAOYSA-N 0 0 449.503 4.674 50 0 biogenic IJAARN CCOC(=O)c1csc(CN(CCCOC)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000016457871 568905478 /nfs/dbraw/zinc/90/54/78/568905478.db2.gz GJNAGAWMGKZNBU-UHFFFAOYSA-N 0 0 446.356 4.697 50 0 IJAARN COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000001794936 568908031 /nfs/dbraw/zinc/90/80/31/568908031.db2.gz SICBDUNFXZZNJJ-FQEVSTJZSA-N 0 0 449.334 4.724 50 0 IJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000137798435 568909271 /nfs/dbraw/zinc/90/92/71/568909271.db2.gz UZHWSKWLWRXIMO-FDFHNCONSA-N 0 0 436.870 4.839 50 0 IJAARN Cc1c(C(=O)N[C@H]2CC[C@H](O)CC2)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000244626635 568915296 /nfs/dbraw/zinc/91/52/96/568915296.db2.gz FPNSOLYXOPMFCC-LNLFQRSKSA-N 0 0 436.581 4.523 50 0 IJAARN CCc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1 ZINC000089286794 568918345 /nfs/dbraw/zinc/91/83/45/568918345.db2.gz KLQZGINEEOYNPD-UHFFFAOYSA-N 0 0 434.561 4.869 50 0 IJAARN CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H](OC(C)=O)C[C@@]12C ZINC000253497906 568920184 /nfs/dbraw/zinc/92/01/84/568920184.db2.gz NWOUTDZVRWQQMQ-XFPNFXTCSA-N 0 0 446.584 4.949 50 0 IJAARN Cc1ccc(Cc2nsc(N3CCC(CNC(=O)Nc4ccc(C)cc4)CC3)n2)cc1 ZINC000016514139 568920322 /nfs/dbraw/zinc/92/03/22/568920322.db2.gz XPCVRWHWHDZYBO-UHFFFAOYSA-N 0 0 435.597 4.784 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000089365551 568921229 /nfs/dbraw/zinc/92/12/29/568921229.db2.gz RMADWURTQDKHAY-RDGATRHJSA-N 0 0 431.536 4.811 50 0 IJAARN COc1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc(OC)c1OC ZINC000001939434 568923414 /nfs/dbraw/zinc/92/34/14/568923414.db2.gz FYLJUONKTBAFGG-UHFFFAOYSA-N 0 0 429.513 4.755 50 0 IJAARN COCc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)sc2cccc(F)c21 ZINC000089420306 568924355 /nfs/dbraw/zinc/92/43/55/568924355.db2.gz LVKWARMOCJXUQW-UHFFFAOYSA-N 0 0 441.553 4.759 50 0 IJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001115243 568924556 /nfs/dbraw/zinc/92/45/56/568924556.db2.gz CFDRDQYPNRWWAQ-JTHBVZDNSA-N 0 0 427.504 4.955 50 0 biogenic IJAARN COc1cc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc(OC)c1OC ZINC000000830172 568924602 /nfs/dbraw/zinc/92/46/02/568924602.db2.gz UQUDOGWGSXRGGB-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN COc1cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc(OC)c1OC ZINC000000830171 568924626 /nfs/dbraw/zinc/92/46/26/568924626.db2.gz WNGCKWWMWLDBDI-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC ZINC000064450229 568928615 /nfs/dbraw/zinc/92/86/15/568928615.db2.gz SMWZHEMXJCCGSE-IBGZPJMESA-N 0 0 447.535 4.904 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3cccc(Cl)c3)C2)cc1 ZINC000064452311 568929137 /nfs/dbraw/zinc/92/91/37/568929137.db2.gz QAPZBCCQAFFSKZ-LJQANCHMSA-N 0 0 436.943 4.764 50 0 IJAARN COc1ccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000064473351 568930352 /nfs/dbraw/zinc/93/03/52/568930352.db2.gz VMPHCSYKUCWKEV-UHFFFAOYSA-N 0 0 435.915 4.504 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064558036 568931958 /nfs/dbraw/zinc/93/19/58/568931958.db2.gz PUTBHYWOKOCPKD-QFIPXVFZSA-N 0 0 433.529 4.630 50 0 IJAARN CCCN(CC(=O)N(c1ccccc1)C(C)C)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006587185 568933881 /nfs/dbraw/zinc/93/38/81/568933881.db2.gz DEKVEWMEWICJRT-UHFFFAOYSA-N 0 0 430.614 4.763 50 0 IJAARN CCn1c2cc(NC(=O)Nc3cc(F)ccc3F)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591156 568935464 /nfs/dbraw/zinc/93/54/64/568935464.db2.gz ULYWQAWOLMLWNN-UHFFFAOYSA-N 0 0 443.498 4.755 50 0 IJAARN Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c(C)n1-c1nccs1 ZINC000089580151 568938752 /nfs/dbraw/zinc/93/87/52/568938752.db2.gz MAEZRAUDNWTSDX-AEFFLSMTSA-N 0 0 435.471 4.518 50 0 IJAARN Cc1ccc(-c2cnc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)nc2)cc1 ZINC000064606006 568939837 /nfs/dbraw/zinc/93/98/37/568939837.db2.gz UBFVTMHIFNHVJM-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064610953 568940019 /nfs/dbraw/zinc/94/00/19/568940019.db2.gz GWMHDXQCVRJKMQ-UHFFFAOYSA-N 0 0 449.532 4.936 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccccc2Cl)cc1 ZINC000064656917 568942370 /nfs/dbraw/zinc/94/23/70/568942370.db2.gz CWNFJSHDXWCNTR-OAHLLOKOSA-N 0 0 433.938 4.717 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccccc2Cl)CC3)cc1 ZINC000064660246 568942499 /nfs/dbraw/zinc/94/24/99/568942499.db2.gz VNSZXCHFYXLUDH-UHFFFAOYSA-N 0 0 434.970 4.609 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667572 568942864 /nfs/dbraw/zinc/94/28/64/568942864.db2.gz VPGAZQPPSCIBKZ-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000064668031 568943133 /nfs/dbraw/zinc/94/31/33/568943133.db2.gz USJAAZFYTKKCEE-OAHLLOKOSA-N 0 0 443.588 4.805 50 0 IJAARN CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(OCC)cc2)n1 ZINC000036065637 568945302 /nfs/dbraw/zinc/94/53/02/568945302.db2.gz WYMWEHAGXBEZPZ-UHFFFAOYSA-N 0 0 446.551 4.549 50 0 IJAARN CC(C)NC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2)n1 ZINC000036072192 568945857 /nfs/dbraw/zinc/94/58/57/568945857.db2.gz GHUYLBUBAREVIN-UHFFFAOYSA-N 0 0 434.515 4.678 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(SC)cc2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083581 568947250 /nfs/dbraw/zinc/94/72/50/568947250.db2.gz NKTNGMHJPUXFSK-QFIPXVFZSA-N 0 0 440.565 4.618 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000036083850 568947532 /nfs/dbraw/zinc/94/75/32/568947532.db2.gz YZVBMUPBEAZJES-FQEVSTJZSA-N 0 0 449.334 4.894 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000064747129 568950479 /nfs/dbraw/zinc/95/04/79/568950479.db2.gz QOYIAEBJBCVVIS-SFHVURJKSA-N 0 0 447.413 4.750 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)cc1 ZINC000064754770 568951037 /nfs/dbraw/zinc/95/10/37/568951037.db2.gz ACZJUTRWWTXTAT-FQEVSTJZSA-N 0 0 427.504 4.547 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)N3CCN(c4cc(C)ccc4C)CC3)C2)cc1 ZINC000064757361 568951604 /nfs/dbraw/zinc/95/16/04/568951604.db2.gz OBHHDSZTCNLGPG-QHCPKHFHSA-N 0 0 448.611 4.595 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)Sc2ncccc2C(=O)N3CC)cc1 ZINC000064759603 568952010 /nfs/dbraw/zinc/95/20/10/568952010.db2.gz GYIQOMMYUWDYDJ-UHFFFAOYSA-N 0 0 433.533 4.542 50 0 IJAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115919 568955433 /nfs/dbraw/zinc/95/54/33/568955433.db2.gz BDEYEFXRFYAIKV-KKSFZXQISA-N 0 0 449.016 4.801 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)[C@@H](C)CC ZINC000036115724 568955620 /nfs/dbraw/zinc/95/56/20/568955620.db2.gz IDBXXTKZUHWYID-OXJNMPFZSA-N 0 0 449.016 4.943 50 0 IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1ccccc1 ZINC000036119407 568956076 /nfs/dbraw/zinc/95/60/76/568956076.db2.gz ZVFMSJVMSHCUHU-QHCPKHFHSA-N 0 0 448.588 4.804 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C(C)C ZINC000036121928 568958020 /nfs/dbraw/zinc/95/80/20/568958020.db2.gz GEBBAMKGDWGHDK-TZIWHRDSSA-N 0 0 442.625 4.844 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C(=O)C(C)C ZINC000036121929 568958065 /nfs/dbraw/zinc/95/80/65/568958065.db2.gz GEBBAMKGDWGHDK-PZJWPPBQSA-N 0 0 442.625 4.844 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)c2)cc1 ZINC000064791601 568959013 /nfs/dbraw/zinc/95/90/13/568959013.db2.gz HLNULQYTCKOTTF-UHFFFAOYSA-N 0 0 435.491 4.799 50 0 IJAARN Cc1ccccc1CSc1nnc(-c2sc3ncccc3c2N)n1C[C@H]1CCCO1 ZINC000064794607 568960078 /nfs/dbraw/zinc/96/00/78/568960078.db2.gz UBMCTWZNEXFPKS-MRXNPFEDSA-N 0 0 437.594 4.917 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000064794620 568960090 /nfs/dbraw/zinc/96/00/90/568960090.db2.gz WKJFCOPUWNUSQL-AWEZNQCLSA-N 0 0 441.557 4.747 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C[C@H]1CCCO1 ZINC000006722589 568963207 /nfs/dbraw/zinc/96/32/07/568963207.db2.gz VZFTVEMGQOTCAB-JOCHJYFZSA-N 0 0 431.621 4.681 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152417 568963442 /nfs/dbraw/zinc/96/34/42/568963442.db2.gz KHWORUPRYROTTO-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c1 ZINC000064815922 568963671 /nfs/dbraw/zinc/96/36/71/568963671.db2.gz JMZBOIPMPFWCLK-XMMPIXPASA-N 0 0 436.581 4.562 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036151336 568963996 /nfs/dbraw/zinc/96/39/96/568963996.db2.gz KVOREXIRGQGSGC-XMMPIXPASA-N 0 0 433.508 4.806 50 0 IJAARN C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)C(=O)N1CCCCC1 ZINC000064816539 568964221 /nfs/dbraw/zinc/96/42/21/568964221.db2.gz QZJNFDOGHSQDMM-OAHLLOKOSA-N 0 0 429.973 4.540 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817441 568964461 /nfs/dbraw/zinc/96/44/61/568964461.db2.gz APYDYBDCELOKAF-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817449 568964487 /nfs/dbraw/zinc/96/44/87/568964487.db2.gz ZUHYZYIWEFZURB-UHFFFAOYSA-N 0 0 448.592 4.887 50 0 IJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccc(C)cc1)C(=O)N2Cc1ccccc1 ZINC000036155472 568964743 /nfs/dbraw/zinc/96/47/43/568964743.db2.gz VGTYZWPAGVIHFM-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1 ZINC000064819079 568965855 /nfs/dbraw/zinc/96/58/55/568965855.db2.gz ZEUROHRZGMIBMR-HNNXBMFYSA-N 0 0 444.457 4.902 50 0 IJAARN O=C(Nc1cc(F)ccc1F)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819096 568966021 /nfs/dbraw/zinc/96/60/21/568966021.db2.gz ZPQWRHIZXWQLJB-LBPRGKRZSA-N 0 0 436.384 4.782 50 0 IJAARN CC[C@]1(c2ccccc2)OC(c2cccc(NC(=O)c3ccc(F)cc3)c2)=NN1C(C)=O ZINC000064819958 568966752 /nfs/dbraw/zinc/96/67/52/568966752.db2.gz DUGJWCYMRYRZTJ-RUZDIDTESA-N 0 0 431.467 4.881 50 0 IJAARN O=C(c1ccccc1)N1CCS[C@@]12c1ccccc1N(Cc1ccc(F)c(F)c1)C2=O ZINC000036166859 568967644 /nfs/dbraw/zinc/96/76/44/568967644.db2.gz BXYCKJUNEXMQLK-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)C3CCC3)C2=O)cc1 ZINC000036165611 568968374 /nfs/dbraw/zinc/96/83/74/568968374.db2.gz JZIFVICDDLSHHD-QHCPKHFHSA-N 0 0 426.969 4.724 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000064840461 568969898 /nfs/dbraw/zinc/96/98/98/568969898.db2.gz HPOOYPNUAIPCQS-UHFFFAOYSA-N 0 0 428.920 4.879 50 0 IJAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842624 568970948 /nfs/dbraw/zinc/97/09/48/568970948.db2.gz SGUVYXGOJAKYJP-HXUWFJFHSA-N 0 0 446.507 4.575 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000064847733 568971262 /nfs/dbraw/zinc/97/12/62/568971262.db2.gz AHKLEOUNCAQIHS-QGZVFWFLSA-N 0 0 425.529 4.531 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)c(Cl)c3)c2)on1 ZINC000064866117 568974284 /nfs/dbraw/zinc/97/42/84/568974284.db2.gz FVFZTLNFGURGMI-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(F)c(Cl)c2)=Nc2ccccc2N1 ZINC000064869518 568976176 /nfs/dbraw/zinc/97/61/76/568976176.db2.gz HWDRFFVAXSMCGI-UHFFFAOYSA-N 0 0 433.892 4.754 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 ZINC000064872725 568978125 /nfs/dbraw/zinc/97/81/25/568978125.db2.gz XCTGXVDJDNLAMJ-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000064888039 568979318 /nfs/dbraw/zinc/97/93/18/568979318.db2.gz WOQMHCJZAVKSLE-UHFFFAOYSA-N 0 0 425.941 4.644 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000064888070 568979352 /nfs/dbraw/zinc/97/93/52/568979352.db2.gz NDEXGHWNMGHASZ-UHFFFAOYSA-N 0 0 437.540 4.944 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccc(C)c(F)c2)cc1 ZINC000036246009 568981717 /nfs/dbraw/zinc/98/17/17/568981717.db2.gz PNABTQOWBWIJQP-UHFFFAOYSA-N 0 0 426.513 4.796 50 0 IJAARN COc1ccccc1CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1Cl ZINC000036247551 568982286 /nfs/dbraw/zinc/98/22/86/568982286.db2.gz IWVXHIBKAMARMC-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(C)cc2)cc1 ZINC000036247254 568982288 /nfs/dbraw/zinc/98/22/88/568982288.db2.gz UZBKACWLVNAOTP-UHFFFAOYSA-N 0 0 430.476 4.627 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@@H](C)c2cccc(C)c2)cc1 ZINC000036247739 568982398 /nfs/dbraw/zinc/98/23/98/568982398.db2.gz GGNZQBGHBFLKBO-KRWDZBQOSA-N 0 0 425.506 4.689 50 0 IJAARN COc1ccc(N([C@@H](C)c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247798 568982479 /nfs/dbraw/zinc/98/24/79/568982479.db2.gz PNEBAGFCIINYEY-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(Br)c2)c1 ZINC000036248148 568982591 /nfs/dbraw/zinc/98/25/91/568982591.db2.gz UJQNTTFVVJGNQQ-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2cc(F)ccc2C)cc1OC ZINC000036248490 568982755 /nfs/dbraw/zinc/98/27/55/568982755.db2.gz XSZOFXUOVOCSQY-UHFFFAOYSA-N 0 0 429.513 4.855 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(C)C ZINC000036249183 568982998 /nfs/dbraw/zinc/98/29/98/568982998.db2.gz XYZBSZOHNHFPTD-UHFFFAOYSA-N 0 0 437.515 4.677 50 0 IJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCOC)C(=O)c1ccccc1C ZINC000036248968 568983034 /nfs/dbraw/zinc/98/30/34/568983034.db2.gz TVJRYDNXAVVEDP-UHFFFAOYSA-N 0 0 439.531 4.924 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000036249360 568983190 /nfs/dbraw/zinc/98/31/90/568983190.db2.gz IRMXIFOEVOSQEI-UHFFFAOYSA-N 0 0 439.943 4.884 50 0 IJAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036249261 568983193 /nfs/dbraw/zinc/98/31/93/568983193.db2.gz CJVCJPFCODQGDG-UHFFFAOYSA-N 0 0 441.478 4.509 50 0 IJAARN CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036249260 568983196 /nfs/dbraw/zinc/98/31/96/568983196.db2.gz WHZOWJMKLZQVAW-UHFFFAOYSA-N 0 0 441.478 4.509 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1C ZINC000036249398 568983200 /nfs/dbraw/zinc/98/32/00/568983200.db2.gz YEDZRWVPYWYGOV-FQEVSTJZSA-N 0 0 433.552 4.928 50 0 IJAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248812 568983427 /nfs/dbraw/zinc/98/34/27/568983427.db2.gz IRZKDIMCMLDZDI-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1c(C)cc(C)cc1C ZINC000064924782 568986421 /nfs/dbraw/zinc/98/64/21/568986421.db2.gz NOIAYMRKTZETIX-UHFFFAOYSA-N 0 0 446.599 4.766 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928957 568987269 /nfs/dbraw/zinc/98/72/69/568987269.db2.gz UNHLANQMVWCGGY-SIKLNZKXSA-N 0 0 432.543 4.637 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3ccccc3Cl)s2)cc1 ZINC000064930121 568988424 /nfs/dbraw/zinc/98/84/24/568988424.db2.gz XKEGVKOXBRUHPX-QGZVFWFLSA-N 0 0 426.929 4.730 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1C ZINC000064944153 568993255 /nfs/dbraw/zinc/99/32/55/568993255.db2.gz VMBBQYZZNFAALI-UHFFFAOYSA-N 0 0 427.599 4.814 50 0 IJAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)NCc1ccccc1Cl ZINC000064944243 568993302 /nfs/dbraw/zinc/99/33/02/568993302.db2.gz ISZFYFRPGPZHGN-UHFFFAOYSA-N 0 0 448.017 4.529 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC[C@H](C)C3)sc21 ZINC000064944423 568993427 /nfs/dbraw/zinc/99/34/27/568993427.db2.gz HMHFHQJHUGFBOW-AWEZNQCLSA-N 0 0 441.626 4.924 50 0 IJAARN O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Cl)cc1C(F)(F)F ZINC000064948919 568994686 /nfs/dbraw/zinc/99/46/86/568994686.db2.gz NXGZRDYMNGTMGC-UHFFFAOYSA-N 0 0 437.834 4.681 50 0 IJAARN COc1cccc(-n2nc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)c1 ZINC000064949744 568995339 /nfs/dbraw/zinc/99/53/39/568995339.db2.gz GLTOVWKLEZUIKY-UHFFFAOYSA-N 0 0 442.500 4.833 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)nn1-c1ccc(Br)cc1 ZINC000064949917 568995448 /nfs/dbraw/zinc/99/54/48/568995448.db2.gz IPLBUFSUVITOSO-UHFFFAOYSA-N 0 0 445.276 4.865 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(F)c1 ZINC000036312554 568997740 /nfs/dbraw/zinc/99/77/40/568997740.db2.gz HOAWZXNYHZTGOG-UHFFFAOYSA-N 0 0 437.515 4.760 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)Cc1ccccc1 ZINC000036312558 568997850 /nfs/dbraw/zinc/99/78/50/568997850.db2.gz KLRHUJPTKQWKOB-UHFFFAOYSA-N 0 0 433.552 4.550 50 0 IJAARN COc1cccc(Cn2ncc3ccc(C(=O)NCc4ccc(OC(C)C)cc4)cc32)c1 ZINC000064955795 568998712 /nfs/dbraw/zinc/99/87/12/568998712.db2.gz MAZZGEVXPGHMAP-UHFFFAOYSA-N 0 0 429.520 4.810 50 0 IJAARN COc1cccc(Cn2nnc3cc(C(=O)Nc4ccc(Br)cc4)ccc32)c1 ZINC000064956819 568999317 /nfs/dbraw/zinc/99/93/17/568999317.db2.gz WDWRCHGGHSEERT-UHFFFAOYSA-N 0 0 437.297 4.503 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315238 568999624 /nfs/dbraw/zinc/99/96/24/568999624.db2.gz ZQSURBQHBDLBMT-LJQANCHMSA-N 0 0 427.850 4.945 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(OCC)c2)cc1 ZINC000006811489 569000596 /nfs/dbraw/zinc/00/05/96/569000596.db2.gz FJULKWXOVKWJBX-UHFFFAOYSA-N 0 0 425.485 4.965 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c(C)o1 ZINC000064967583 569001436 /nfs/dbraw/zinc/00/14/36/569001436.db2.gz RRYOGWKRMKUSSU-UHFFFAOYSA-N 0 0 449.486 4.697 50 0 IJAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)/C=C/c3ccccc3)cc(=O)n12 ZINC000064976812 569077220 /nfs/dbraw/zinc/07/72/20/569077220.db2.gz ZEMXRQNYZJRCHG-PKNBQFBNSA-N 0 0 431.517 4.604 50 0 IJAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)c3ccccc3Cl)cc(=O)n12 ZINC000064976786 569077235 /nfs/dbraw/zinc/07/72/35/569077235.db2.gz BLBBYRWAQRRVBD-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CSCc4ccc(F)cc4)ccc32)cc1 ZINC000064978111 569077664 /nfs/dbraw/zinc/07/76/64/569077664.db2.gz XWFOVHARQHOBDP-UHFFFAOYSA-N 0 0 448.563 4.887 50 0 IJAARN COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345184 569080702 /nfs/dbraw/zinc/08/07/02/569080702.db2.gz YBJRLEILFILBRT-RUZDIDTESA-N 0 0 431.511 4.644 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4ccc(Br)cc4)cc32)cc1 ZINC000064989734 569083023 /nfs/dbraw/zinc/08/30/23/569083023.db2.gz ZENCRTMRLMJKIS-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN C[C@H]1Cc2ccc(CNC(=O)c3ccccc3Br)cc2N1C(=O)c1ccccc1 ZINC000064989821 569083141 /nfs/dbraw/zinc/08/31/41/569083141.db2.gz BYAIQBPQPFMBMC-INIZCTEOSA-N 0 0 449.348 4.971 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1OCc1ccccn1)CC(=O)N2 ZINC000036353374 569083883 /nfs/dbraw/zinc/08/38/83/569083883.db2.gz BKCXUYIBZHRGOY-KRWDZBQOSA-N 0 0 446.898 4.722 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 ZINC000064999249 569085664 /nfs/dbraw/zinc/08/56/64/569085664.db2.gz UIIZQTPZNDCGJW-UHFFFAOYSA-N 0 0 429.377 4.527 50 0 IJAARN CCc1ccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)cc1 ZINC000065000131 569085756 /nfs/dbraw/zinc/08/57/56/569085756.db2.gz DVLUNZSUIMHESM-UHFFFAOYSA-N 0 0 432.495 4.946 50 0 IJAARN O=S(=O)(NCc1cccc(Br)c1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004210 569087014 /nfs/dbraw/zinc/08/70/14/569087014.db2.gz ARTTXLFLXBPSGH-UHFFFAOYSA-N 0 0 439.356 4.522 50 0 IJAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(-c5ccccc5)c4[C@H]3c3cccnc3)c2c1 ZINC000036367186 569087269 /nfs/dbraw/zinc/08/72/69/569087269.db2.gz HLHGNKDXPZERQB-AREMUKBSSA-N 0 0 449.514 4.750 50 0 IJAARN Cc1ccc(-c2ccc(Nc3cccc(F)c3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009253 569087876 /nfs/dbraw/zinc/08/78/76/569087876.db2.gz POWNRRSOUOAUMQ-UHFFFAOYSA-N 0 0 426.517 4.509 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCCCCC3)c2oc1C(=O)N1CCCCC1 ZINC000065010614 569088237 /nfs/dbraw/zinc/08/82/37/569088237.db2.gz NAWOSLMPWVXFIR-UHFFFAOYSA-N 0 0 432.586 4.549 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1Cl ZINC000065023362 569089188 /nfs/dbraw/zinc/08/91/88/569089188.db2.gz BYHBAIIYDUHQEJ-GOSISDBHSA-N 0 0 436.943 4.969 50 0 IJAARN O=C(NC1CCCCC1)c1cc(COc2ccc(NC(=O)c3ccc(F)cc3)cc2)on1 ZINC000065027098 569090158 /nfs/dbraw/zinc/09/01/58/569090158.db2.gz OCVJYEIWSSLEJU-UHFFFAOYSA-N 0 0 437.471 4.708 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCc4ccccc4)no3)cc2)c1 ZINC000065027145 569090180 /nfs/dbraw/zinc/09/01/80/569090180.db2.gz XLJHIEXHXBBDSE-UHFFFAOYSA-N 0 0 441.487 4.744 50 0 IJAARN CC[C@H](C)NC(=O)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027351 569090306 /nfs/dbraw/zinc/09/03/06/569090306.db2.gz IQGKSDJRURVTQT-AWEZNQCLSA-N 0 0 427.888 4.688 50 0 IJAARN CC(C)CCNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027345 569090310 /nfs/dbraw/zinc/09/03/10/569090310.db2.gz OQISIGAGOGDFDD-UHFFFAOYSA-N 0 0 441.915 4.935 50 0 IJAARN O=C(Nc1cc(F)c2nc(N3CCOCC3)ccc2c1)Nc1ccccc1Br ZINC000065029805 569091057 /nfs/dbraw/zinc/09/10/57/569091057.db2.gz HRBUIGPWCYDPKK-UHFFFAOYSA-N 0 0 445.292 4.617 50 0 IJAARN CCOC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034279 569091833 /nfs/dbraw/zinc/09/18/33/569091833.db2.gz SSFKRXZZYMKGDJ-UHFFFAOYSA-N 0 0 430.460 4.997 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCCC1 ZINC000006867442 569093040 /nfs/dbraw/zinc/09/30/40/569093040.db2.gz OUUCDMMCWGEJEQ-UHFFFAOYSA-N 0 0 427.614 4.585 50 0 IJAARN COc1ccc(-c2noc(CC3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)n2)cc1 ZINC000169754673 569093856 /nfs/dbraw/zinc/09/38/56/569093856.db2.gz ONAFZWUVSCHRGD-UHFFFAOYSA-N 0 0 441.915 4.502 50 0 IJAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)cn2)cc1 ZINC000065057725 569095366 /nfs/dbraw/zinc/09/53/66/569095366.db2.gz NUUGKBMRPQSUOR-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000065058071 569095462 /nfs/dbraw/zinc/09/54/62/569095462.db2.gz KSKLFZNWTDOYGE-UHFFFAOYSA-N 0 0 425.444 4.959 50 0 IJAARN CCCCNC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059907 569095624 /nfs/dbraw/zinc/09/56/24/569095624.db2.gz WFSONFFCHQGGSL-UHFFFAOYSA-N 0 0 439.537 4.513 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC4CCCCCC4)c3=O)cc2)c1 ZINC000065062698 569097288 /nfs/dbraw/zinc/09/72/88/569097288.db2.gz ODWATWVGPSVWGC-UHFFFAOYSA-N 0 0 443.547 4.851 50 0 IJAARN O=C(CSc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1)N1CCCC1 ZINC000036391780 569098323 /nfs/dbraw/zinc/09/83/23/569098323.db2.gz ZCQQEXNNKHCTRB-UHFFFAOYSA-N 0 0 447.604 4.902 50 0 IJAARN COc1ccc(Oc2cc(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)ccc2OC)cc1 ZINC000036395759 569098836 /nfs/dbraw/zinc/09/88/36/569098836.db2.gz JODKAORFHBBITB-LJQANCHMSA-N 0 0 442.512 4.834 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000065074971 569099268 /nfs/dbraw/zinc/09/92/68/569099268.db2.gz JVHJXGLHSHGGSF-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2cccc(OC)c2)c1 ZINC000065075280 569099558 /nfs/dbraw/zinc/09/95/58/569099558.db2.gz HSILATSHBNMGBJ-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000065075186 569099574 /nfs/dbraw/zinc/09/95/74/569099574.db2.gz FCUFLIZGXCSSGJ-AREMUKBSSA-N 0 0 448.950 4.622 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NCCCc2ccccc2)CO3)c1 ZINC000065082131 569102110 /nfs/dbraw/zinc/10/21/10/569102110.db2.gz JZFLRDQMMUOKOW-QHCPKHFHSA-N 0 0 428.532 4.547 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1F)CO2)c1cccc(Cl)c1 ZINC000065082794 569102521 /nfs/dbraw/zinc/10/25/21/569102521.db2.gz KYVQZWKJLOETKP-SFHVURJKSA-N 0 0 438.886 4.599 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 ZINC000065082799 569102550 /nfs/dbraw/zinc/10/25/50/569102550.db2.gz DOYJCSMSTIHPNV-FQEVSTJZSA-N 0 0 434.923 4.768 50 0 IJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Br)cc2F)cc1C ZINC000065084713 569102634 /nfs/dbraw/zinc/10/26/34/569102634.db2.gz NCDYCLHOLRPYRL-UHFFFAOYSA-N 0 0 429.289 4.876 50 0 IJAARN COc1cc(OC)c(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)cc1Cl ZINC000065084663 569102643 /nfs/dbraw/zinc/10/26/43/569102643.db2.gz BXWJLJSKHCPCDL-UHFFFAOYSA-N 0 0 426.900 4.645 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1 ZINC000065095733 569103565 /nfs/dbraw/zinc/10/35/65/569103565.db2.gz NFTKWYPCSKIZFQ-UHFFFAOYSA-N 0 0 427.361 4.740 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCC[C@@H](C)C2)n1 ZINC000065101746 569105953 /nfs/dbraw/zinc/10/59/53/569105953.db2.gz QNWDRYOPBUXBGU-GFCCVEGCSA-N 0 0 442.869 4.711 50 0 IJAARN COc1cc(Cl)c(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c(OC)c1 ZINC000065111010 569106184 /nfs/dbraw/zinc/10/61/84/569106184.db2.gz HRGLOZQXNRIUCP-UHFFFAOYSA-N 0 0 445.928 4.979 50 0 IJAARN CC(=O)c1cccc(NC(=O)C2CCN(c3nccnc3Sc3cccc(C)c3)CC2)c1 ZINC000065102717 569106227 /nfs/dbraw/zinc/10/62/27/569106227.db2.gz DPYNMZPOJZEJHJ-UHFFFAOYSA-N 0 0 446.576 4.994 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1 ZINC000065111239 569106282 /nfs/dbraw/zinc/10/62/82/569106282.db2.gz VJDHKFHGMDTTHN-JOCHJYFZSA-N 0 0 430.552 4.673 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 ZINC000065116280 569107282 /nfs/dbraw/zinc/10/72/82/569107282.db2.gz HCLQQLKLZZTBRR-UHFFFAOYSA-N 0 0 427.526 4.534 50 0 IJAARN CCc1csc(-c2csc(S(=O)(=O)NCc3ccccc3C(F)(F)F)c2)n1 ZINC000065116821 569107519 /nfs/dbraw/zinc/10/75/19/569107519.db2.gz BINDQZWFNJFICE-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)no2)cc1 ZINC000065111930 569107774 /nfs/dbraw/zinc/10/77/74/569107774.db2.gz VGLGNGDIQBWHFT-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000065112065 569107888 /nfs/dbraw/zinc/10/78/88/569107888.db2.gz MMBRIINDDCURDH-UHFFFAOYSA-N 0 0 429.517 4.567 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)no1 ZINC000065112282 569108015 /nfs/dbraw/zinc/10/80/15/569108015.db2.gz VHXYXGQQOIQZFK-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1cc2c(ccn(Cc3ccccc3)c2=O)s1 ZINC000065119233 569108722 /nfs/dbraw/zinc/10/87/22/569108722.db2.gz IWJVURKGMWLNSV-UHFFFAOYSA-N 0 0 426.900 4.834 50 0 IJAARN COc1cc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1 ZINC000065133972 569110088 /nfs/dbraw/zinc/11/00/88/569110088.db2.gz DNTJECWHWVNZKI-UHFFFAOYSA-N 0 0 447.413 4.506 50 0 IJAARN CCn1nccc1-c1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)c1 ZINC000065137307 569110387 /nfs/dbraw/zinc/11/03/87/569110387.db2.gz XVJAJZSPDZRWDS-FQEVSTJZSA-N 0 0 427.508 4.757 50 0 IJAARN CC(C)Cn1cc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccnc21 ZINC000065163361 569112446 /nfs/dbraw/zinc/11/24/46/569112446.db2.gz OPOGKGICXHRRFJ-UHFFFAOYSA-N 0 0 426.369 4.520 50 0 IJAARN Cc1ccc(CNC(=O)CSc2cc(-c3nc(-c4ccc(C)cc4)no3)ccn2)cc1 ZINC000065185622 569113726 /nfs/dbraw/zinc/11/37/26/569113726.db2.gz PYTRHJZTPWEXLJ-UHFFFAOYSA-N 0 0 430.533 4.824 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(C)c(C)c3)cccn12 ZINC000065185238 569114150 /nfs/dbraw/zinc/11/41/50/569114150.db2.gz BYDGPOPACQZZMM-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2cc(-c3nc(-c4ccccc4)no3)ccn2)cc1 ZINC000065185602 569114437 /nfs/dbraw/zinc/11/44/37/569114437.db2.gz QUHKGVSFOLGCMM-UHFFFAOYSA-N 0 0 430.489 4.732 50 0 IJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000065194798 569114874 /nfs/dbraw/zinc/11/48/74/569114874.db2.gz ZXZNMCDSJPESED-UHFFFAOYSA-N 0 0 432.446 4.758 50 0 IJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NCc1cc(F)cc(F)c1 ZINC000065194974 569115111 /nfs/dbraw/zinc/11/51/11/569115111.db2.gz JKXXQJIDPBALPL-UHFFFAOYSA-N 0 0 440.425 4.556 50 0 IJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)NCc1ccc(F)cc1F ZINC000065194973 569115140 /nfs/dbraw/zinc/11/51/40/569115140.db2.gz VUPFCDCNGPRQOH-UHFFFAOYSA-N 0 0 440.425 4.556 50 0 IJAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccccc1N1CCC(C)CC1 ZINC000036615955 569122671 /nfs/dbraw/zinc/12/26/71/569122671.db2.gz SZRYVWSNFMVIET-UHFFFAOYSA-N 0 0 431.584 4.885 50 0 IJAARN CCn1cc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c(C)n1 ZINC000036613318 569123760 /nfs/dbraw/zinc/12/37/60/569123760.db2.gz LMGKADUEPCWOQJ-UHFFFAOYSA-N 0 0 430.556 4.532 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)cc1C ZINC000036613597 569123964 /nfs/dbraw/zinc/12/39/64/569123964.db2.gz BYOPLMMSRFDGLV-UHFFFAOYSA-N 0 0 432.528 4.510 50 0 IJAARN Cc1c(CNC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c32)cnn1C ZINC000036618419 569124384 /nfs/dbraw/zinc/12/43/84/569124384.db2.gz LOUULNVOWJIFNR-UHFFFAOYSA-N 0 0 441.466 4.668 50 0 IJAARN CCN1c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2Sc2ncccc2C1=O ZINC000065258490 569124489 /nfs/dbraw/zinc/12/44/89/569124489.db2.gz VQVFVAMGYGUOIR-UHFFFAOYSA-N 0 0 433.533 4.793 50 0 IJAARN CCOc1cc2c(cc1OCC)CN(C(=O)c1cc(C3CC3)nn1-c1ccccc1)CC2 ZINC000013127893 569125236 /nfs/dbraw/zinc/12/52/36/569125236.db2.gz SJNBQHWIFWRJMB-UHFFFAOYSA-N 0 0 431.536 4.746 50 0 IJAARN O=C(OCc1c(F)cccc1Cl)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000013129155 569125274 /nfs/dbraw/zinc/12/52/74/569125274.db2.gz SENXMYWCJJBPBW-UHFFFAOYSA-N 0 0 445.899 4.588 50 0 IJAARN CC(C)Cn1c(=O)n(C)c(=O)c2cc(-c3nc4ccccc4s3)c(-c3ccccc3)nc21 ZINC000013131917 569125396 /nfs/dbraw/zinc/12/53/96/569125396.db2.gz MJEOWOPRGFCERZ-UHFFFAOYSA-N 0 0 442.544 4.695 50 0 IJAARN COCc1nc(-c2cccc(NC(=O)C[C@@H](c3ccc(Cl)cc3)n3cccc3)c2)n[nH]1 ZINC000524735234 569128129 /nfs/dbraw/zinc/12/81/29/569128129.db2.gz JLBONWKLKIOCQV-FQEVSTJZSA-N 0 0 435.915 4.691 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(C)cc3)sc12 ZINC000065294147 569131391 /nfs/dbraw/zinc/13/13/91/569131391.db2.gz YXOBSJQYEBHWKP-QGZVFWFLSA-N 0 0 433.581 4.721 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)sc12 ZINC000065297050 569131714 /nfs/dbraw/zinc/13/17/14/569131714.db2.gz VQGBXVJYQNPEJE-UHFFFAOYSA-N 0 0 445.592 4.678 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@@H](c1ccc(F)cc1)N2 ZINC000065298527 569131980 /nfs/dbraw/zinc/13/19/80/569131980.db2.gz VHFWVCTWJHHXPX-IBGZPJMESA-N 0 0 445.922 4.657 50 0 biogenic IJAARN COCCCNc1c(-c2ccc(OC)c(OC)c2)nc2sc3cc(OC)ccc3n21 ZINC000065319356 569134910 /nfs/dbraw/zinc/13/49/10/569134910.db2.gz GLXDVTUVCRXMFA-UHFFFAOYSA-N 0 0 427.526 4.690 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000065320752 569136231 /nfs/dbraw/zinc/13/62/31/569136231.db2.gz GZEGYSZHIQXACL-SFHVURJKSA-N 0 0 431.945 4.841 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000065320910 569136338 /nfs/dbraw/zinc/13/63/38/569136338.db2.gz UYMSPOCGYXXXKO-QGZVFWFLSA-N 0 0 437.443 4.590 50 0 IJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320883 569136390 /nfs/dbraw/zinc/13/63/90/569136390.db2.gz HKHXTCRHQCBVPD-HXUWFJFHSA-N 0 0 443.956 4.795 50 0 IJAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N[C@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000065329758 569136907 /nfs/dbraw/zinc/13/69/07/569136907.db2.gz ZXLPLGNLSRKVNJ-UVCKPZQWSA-N 0 0 425.573 4.679 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccc(Br)cn2)C1 ZINC000238838197 569137348 /nfs/dbraw/zinc/13/73/48/569137348.db2.gz HFJPEKPLSODXLD-FQEVSTJZSA-N 0 0 437.337 4.656 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000238935415 569138025 /nfs/dbraw/zinc/13/80/25/569138025.db2.gz VLLTZKTUGMYWLI-SFHVURJKSA-N 0 0 428.362 4.548 50 0 IJAARN Cc1cc(C)n(-c2ccc(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2)n1 ZINC000065575282 569139740 /nfs/dbraw/zinc/13/97/40/569139740.db2.gz SBWUAOWJEKZVDY-HSZRJFAPSA-N 0 0 431.536 4.557 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)n2nc(C(F)(F)F)nc2n1 ZINC000170596609 569141747 /nfs/dbraw/zinc/14/17/47/569141747.db2.gz LMRYTPNJWATWPJ-UHFFFAOYSA-N 0 0 439.825 4.679 50 0 IJAARN O=C(c1cc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)ccn1)N1CCC(O)CC1 ZINC000170598165 569142246 /nfs/dbraw/zinc/14/22/46/569142246.db2.gz FRSIAVUWWKOGHT-UHFFFAOYSA-N 0 0 445.441 4.569 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NCc3cccc(-c4nc(-c5ccncc5)no4)c3)on2)cc1 ZINC000170610173 569145139 /nfs/dbraw/zinc/14/51/39/569145139.db2.gz PNWYJLQQQRZCJB-UHFFFAOYSA-N 0 0 437.459 4.692 50 0 IJAARN Cc1cccc(C(=O)NC2CCN(c3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000037276555 569145368 /nfs/dbraw/zinc/14/53/68/569145368.db2.gz GOJGFEYBCNYNDJ-OAQYLSRUSA-N 0 0 441.575 4.885 50 0 IJAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000037276534 569145374 /nfs/dbraw/zinc/14/53/74/569145374.db2.gz UJIDRSGNAALIFF-OAQYLSRUSA-N 0 0 441.575 4.885 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037280740 569146013 /nfs/dbraw/zinc/14/60/13/569146013.db2.gz BPVVKCKPUDUMJC-AOYPEHQESA-N 0 0 436.596 4.890 50 0 IJAARN O[C@H]1c2ccccc2OC[C@@H]1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000170612993 569146160 /nfs/dbraw/zinc/14/61/60/569146160.db2.gz XEBOPZNSBCMXQV-GMAHTHKFSA-N 0 0 449.507 4.572 50 0 IJAARN COc1cc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3C(=O)C(C)C)cc2c(OC)c1 ZINC000170620026 569147464 /nfs/dbraw/zinc/14/74/64/569147464.db2.gz ZZGBLYZGFNDZNP-GOSISDBHSA-N 0 0 427.888 4.832 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000170624979 569148242 /nfs/dbraw/zinc/14/82/42/569148242.db2.gz QXQSILRRYDSCDE-GOSISDBHSA-N 0 0 444.318 4.834 50 0 IJAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1-c1ccccc1 ZINC000009870273 569149409 /nfs/dbraw/zinc/14/94/09/569149409.db2.gz ICEKFCFREOMSIW-SFHVURJKSA-N 0 0 444.560 4.901 50 0 IJAARN O=C(CSc1nccn1-c1cccc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000009870604 569149434 /nfs/dbraw/zinc/14/94/34/569149434.db2.gz CNFMSCPYFWOFMI-GOSISDBHSA-N 0 0 436.468 4.667 50 0 IJAARN COc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000071195117 569149587 /nfs/dbraw/zinc/14/95/87/569149587.db2.gz BLDVKNYKXSMCBI-UHFFFAOYSA-N 0 0 434.414 4.606 50 0 IJAARN COc1ccc(-n2nnnc2S[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 ZINC000009883118 569149901 /nfs/dbraw/zinc/14/99/01/569149901.db2.gz UVTPXXOLYOLFSQ-JOCHJYFZSA-N 0 0 445.548 4.760 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C(C)=O)cc2OC)cc1 ZINC000009996039 569151427 /nfs/dbraw/zinc/15/14/27/569151427.db2.gz GNRDKBUVXUCOLG-UHFFFAOYSA-N 0 0 425.506 4.580 50 0 IJAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1SCc1ccccc1 ZINC000010024259 569151584 /nfs/dbraw/zinc/15/15/84/569151584.db2.gz WGFVLVRIZHJFMF-UHFFFAOYSA-N 0 0 437.565 4.562 50 0 IJAARN O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000010026809 569151690 /nfs/dbraw/zinc/15/16/90/569151690.db2.gz QCZRFCHWHATQQK-UHFFFAOYSA-N 0 0 431.517 4.531 50 0 IJAARN FC(F)(F)c1cccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000010036674 569151901 /nfs/dbraw/zinc/15/19/01/569151901.db2.gz MNDYGZQGGVSYGC-QGZVFWFLSA-N 0 0 431.414 4.864 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2OC)cc1 ZINC000010060288 569152466 /nfs/dbraw/zinc/15/24/66/569152466.db2.gz KTFRDXULSCNXTI-DHIUTWEWSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(OC)c2)cc1 ZINC000010060282 569152503 /nfs/dbraw/zinc/15/25/03/569152503.db2.gz SRSAVJRSYQEHDA-RPWUZVMVSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010119419 569152688 /nfs/dbraw/zinc/15/26/88/569152688.db2.gz HSSIICPXXABPIC-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010119421 569152738 /nfs/dbraw/zinc/15/27/38/569152738.db2.gz GDYPHTFSCXFYEY-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN O=C(CCOc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000071821316 569154675 /nfs/dbraw/zinc/15/46/75/569154675.db2.gz ORIQURXMRRUILN-GOSISDBHSA-N 0 0 437.927 4.534 50 0 IJAARN CCC[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000013322549 569154990 /nfs/dbraw/zinc/15/49/90/569154990.db2.gz WETYXUACUBQISL-ZETCQYMHSA-N 0 0 432.414 4.700 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579429 569156267 /nfs/dbraw/zinc/15/62/67/569156267.db2.gz BUFLWCXJEUVOBK-UCQKPKSFSA-N 0 0 429.907 4.909 50 0 IJAARN O=C(Cc1ccccc1F)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 ZINC000013952680 569157386 /nfs/dbraw/zinc/15/73/86/569157386.db2.gz XPYJADKUQMWEGR-UHFFFAOYSA-N 0 0 429.480 4.840 50 0 IJAARN CCOc1ccc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)sc2c1 ZINC000013973113 569157400 /nfs/dbraw/zinc/15/74/00/569157400.db2.gz UIYLLYFTQVDVSB-UHFFFAOYSA-N 0 0 431.561 4.740 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000014244988 569158359 /nfs/dbraw/zinc/15/83/59/569158359.db2.gz PDKGZQIPMNPAKL-UHFFFAOYSA-N 0 0 428.561 4.864 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2cccc(Cl)c2)cc1 ZINC000014610010 569159447 /nfs/dbraw/zinc/15/94/47/569159447.db2.gz QLOJMXXOJDHTON-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c(OC)c1 ZINC000014609434 569159450 /nfs/dbraw/zinc/15/94/50/569159450.db2.gz KOXINFLBVNSMCV-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)cc1 ZINC000014609814 569159494 /nfs/dbraw/zinc/15/94/94/569159494.db2.gz KHNMSPNDQAZMQJ-UHFFFAOYSA-N 0 0 449.308 4.958 50 0 IJAARN Cc1occc1-c1nnc(SCc2cc(=O)n3ccc(C)cc3n2)n1Cc1ccccc1 ZINC000089700803 569161821 /nfs/dbraw/zinc/16/18/21/569161821.db2.gz MSMCBVSZNLOCKR-UHFFFAOYSA-N 0 0 443.532 4.503 50 0 IJAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c(OC)c1 ZINC000016841414 569163277 /nfs/dbraw/zinc/16/32/77/569163277.db2.gz GEMVZVINVTXCOG-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN COc1ccccc1-n1nnc(C(=O)OCc2nc(-c3cccc(Cl)c3)oc2C)c1C ZINC000016845691 569163865 /nfs/dbraw/zinc/16/38/65/569163865.db2.gz JDOGDSBFSOREJU-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN CCOc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)cc1 ZINC000016845782 569163869 /nfs/dbraw/zinc/16/38/69/569163869.db2.gz FZLZHLPNIURMDU-UHFFFAOYSA-N 0 0 442.566 4.855 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000016846884 569163907 /nfs/dbraw/zinc/16/39/07/569163907.db2.gz RWCCKQTWSFMELG-UHFFFAOYSA-N 0 0 431.926 4.944 50 0 IJAARN O=C(Nc1cnn(-c2ccccc2Br)c1)c1sccc1Br ZINC000089821317 569165205 /nfs/dbraw/zinc/16/52/05/569165205.db2.gz DZJAXILLPYBVNV-UHFFFAOYSA-N 0 0 427.121 4.711 50 0 IJAARN O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000089826185 569165207 /nfs/dbraw/zinc/16/52/07/569165207.db2.gz QIINJAHMVDTYIO-FUHWJXTLSA-N 0 0 426.460 4.655 50 0 IJAARN C[C@@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891153 569165791 /nfs/dbraw/zinc/16/57/91/569165791.db2.gz NFUCENPJYVCNPX-IERDGZPVSA-N 0 0 429.586 4.631 50 0 IJAARN O=C(CNc1cccc2c1CN(c1ccccn1)C2)Nc1ccc(OC(F)(F)F)cc1 ZINC000089883849 569166547 /nfs/dbraw/zinc/16/65/47/569166547.db2.gz MFSRDGSQAQTOIK-UHFFFAOYSA-N 0 0 428.414 4.551 50 0 IJAARN C[C@@H](CNC(=O)Nc1cccc(Cl)c1N1CCOCC1)c1nc2ccccc2s1 ZINC000089901165 569167076 /nfs/dbraw/zinc/16/70/76/569167076.db2.gz FXGXMZMGNOTKHD-AWEZNQCLSA-N 0 0 430.961 4.712 50 0 IJAARN CCCCOc1ccc(NC(=O)N2CCCN(Cc3cnn(CCC)c3)CC2)c(C)c1 ZINC000089954815 569168821 /nfs/dbraw/zinc/16/88/21/569168821.db2.gz VIMKSYHSRCQCGM-UHFFFAOYSA-N 0 0 427.593 4.520 50 0 IJAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)NCc3ccccc3)c2c1 ZINC000016977424 569168961 /nfs/dbraw/zinc/16/89/61/569168961.db2.gz SXBUXNCZVSUJBQ-UHFFFAOYSA-N 0 0 444.604 4.999 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)cc1OC ZINC000016991378 569169579 /nfs/dbraw/zinc/16/95/79/569169579.db2.gz XBAKYCAWGLRLCW-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN COc1cc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc(OC)c1OC ZINC000016992051 569169719 /nfs/dbraw/zinc/16/97/19/569169719.db2.gz CWVANNDZQLCVGE-UHFFFAOYSA-N 0 0 446.956 4.770 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c(C)c1 ZINC000017025994 569171136 /nfs/dbraw/zinc/17/11/36/569171136.db2.gz WEQUKQOUJZIUCG-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000017043645 569171644 /nfs/dbraw/zinc/17/16/44/569171644.db2.gz DARRQDXCALWLPK-UHFFFAOYSA-N 0 0 434.561 4.606 50 0 IJAARN CC(C)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000017128444 569174373 /nfs/dbraw/zinc/17/43/73/569174373.db2.gz FUJIEZHIVCIANJ-UHFFFAOYSA-N 0 0 434.867 4.545 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000008984536 569174734 /nfs/dbraw/zinc/17/47/34/569174734.db2.gz FASDJRUPNBBUPC-UHFFFAOYSA-N 0 0 447.539 4.984 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000017149701 569174924 /nfs/dbraw/zinc/17/49/24/569174924.db2.gz DTERHUGIUJCDTE-KRWDZBQOSA-N 0 0 441.908 4.625 50 0 IJAARN CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002091794 569178676 /nfs/dbraw/zinc/17/86/76/569178676.db2.gz IEQRLANAIYHJNB-LJQANCHMSA-N 0 0 437.492 4.800 50 0 biogenic IJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNC(=O)OCc3ccccc3)c12 ZINC000002094240 569179069 /nfs/dbraw/zinc/17/90/69/569179069.db2.gz NQXXOFFHTZTIKF-UHFFFAOYSA-N 0 0 437.492 4.666 50 0 biogenic IJAARN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002094048 569179091 /nfs/dbraw/zinc/17/90/91/569179091.db2.gz JKKDQHHUAFRPMQ-IBGZPJMESA-N 0 0 427.500 4.976 50 0 biogenic IJAARN CC(C)CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc3ccccc32)C1=O ZINC000002102455 569179896 /nfs/dbraw/zinc/17/98/96/569179896.db2.gz XIEBXVRFXOBWTA-IGKIAQTJSA-N 0 0 437.543 4.662 50 0 biogenic IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccnc2)cc1 ZINC000000796428 569180340 /nfs/dbraw/zinc/18/03/40/569180340.db2.gz HUQMURHVIWVBGS-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1 ZINC000002367653 569180798 /nfs/dbraw/zinc/18/07/98/569180798.db2.gz GSGGKMNRACVDOQ-UHFFFAOYSA-N 0 0 431.521 4.883 50 0 IJAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3ccco3)c2cc1OC ZINC000002106942 569181179 /nfs/dbraw/zinc/18/11/79/569181179.db2.gz RJOQHVWKIKROAJ-UHFFFAOYSA-N 0 0 448.475 4.705 50 0 biogenic IJAARN Cc1cc(=O)oc2c(C)c(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000002123940 569183656 /nfs/dbraw/zinc/18/36/56/569183656.db2.gz WWVLBBZPMAUHJQ-UHFFFAOYSA-N 0 0 429.513 4.646 50 0 biogenic IJAARN CCCCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002122267 569183659 /nfs/dbraw/zinc/18/36/59/569183659.db2.gz YLSAZTPSVMGBHA-UHFFFAOYSA-N 0 0 433.504 4.985 50 0 biogenic IJAARN Cc1ccccc1C(=O)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037377621 569185784 /nfs/dbraw/zinc/18/57/84/569185784.db2.gz HPEQQMZOASYDJP-UHFFFAOYSA-N 0 0 440.906 4.722 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002148554 569187071 /nfs/dbraw/zinc/18/70/71/569187071.db2.gz WCYOMUPAEHAHEL-UHFFFAOYSA-N 0 0 443.455 4.654 50 0 biogenic IJAARN Cc1c2ccc(OC(=O)CCNC(=O)OC(C)(C)C)cc2oc(=O)c1Cc1ccccc1 ZINC000002150470 569187288 /nfs/dbraw/zinc/18/72/88/569187288.db2.gz DHJVTBSRGFIKGF-UHFFFAOYSA-N 0 0 437.492 4.512 50 0 biogenic IJAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2Br)sc2c1CCCC2 ZINC000002192373 569190636 /nfs/dbraw/zinc/19/06/36/569190636.db2.gz RVXNLBJHXVOUFO-LLVKDONJSA-N 0 0 438.343 4.582 50 0 IJAARN CCN1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000037380247 569191562 /nfs/dbraw/zinc/19/15/62/569191562.db2.gz TXYYZBRQTGMOAK-FQEVSTJZSA-N 0 0 429.486 4.873 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037384940 569192224 /nfs/dbraw/zinc/19/22/24/569192224.db2.gz KAKWEYAHZHOQOV-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037385002 569192237 /nfs/dbraw/zinc/19/22/37/569192237.db2.gz OXDRAKKHJWASGF-UHFFFAOYSA-N 0 0 448.548 4.972 50 0 IJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4oc(=O)ccc4c3)[C@](C)(O)CC[C@H]2C1(C)C ZINC000252609571 569195336 /nfs/dbraw/zinc/19/53/36/569195336.db2.gz HUXDDEPCFQSICR-VXOZGMPSSA-N 0 0 442.552 4.707 50 0 IJAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)C1CCC1 ZINC000037425990 569195666 /nfs/dbraw/zinc/19/56/66/569195666.db2.gz FOLKWDXKQJNPCL-QFIPXVFZSA-N 0 0 427.976 4.500 50 0 IJAARN CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccoc1)C(=O)c1ccccc1Cl ZINC000037427488 569195880 /nfs/dbraw/zinc/19/58/80/569195880.db2.gz QNTHTHFSGMESJB-JOCHJYFZSA-N 0 0 439.943 4.607 50 0 IJAARN CCCNC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)C1 ZINC000037436120 569196148 /nfs/dbraw/zinc/19/61/48/569196148.db2.gz MKYYOWKKLIMKKT-LBPRGKRZSA-N 0 0 441.384 4.572 50 0 IJAARN CC(C)CNC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000037438039 569196391 /nfs/dbraw/zinc/19/63/91/569196391.db2.gz WKNODBIJJHQBLK-OAHLLOKOSA-N 0 0 441.384 4.570 50 0 IJAARN COc1ccc(-c2csc(N(CC(=O)NC[C@H]3CCCO3)c3cccc(C)c3)n2)cc1 ZINC000037439398 569196417 /nfs/dbraw/zinc/19/64/17/569196417.db2.gz MCTMYFWKVGBQKC-OAQYLSRUSA-N 0 0 437.565 4.560 50 0 IJAARN CCNC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442067 569196988 /nfs/dbraw/zinc/19/69/88/569196988.db2.gz ZDBYZYODCGHLQI-HNNXBMFYSA-N 0 0 442.293 4.996 50 0 IJAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000037525210 569198976 /nfs/dbraw/zinc/19/89/76/569198976.db2.gz SYNDSFNNZUONAW-UHFFFAOYSA-N 0 0 446.378 4.628 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2F)C1 ZINC000037526686 569199177 /nfs/dbraw/zinc/19/91/77/569199177.db2.gz VIIDTILZCIALSE-QGZVFWFLSA-N 0 0 428.529 4.614 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037544423 569199692 /nfs/dbraw/zinc/19/96/92/569199692.db2.gz YRNUJTYVYBEHIY-AWEZNQCLSA-N 0 0 437.334 4.562 50 0 IJAARN O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1 ZINC000037545891 569199746 /nfs/dbraw/zinc/19/97/46/569199746.db2.gz QLVLYFLXVDHBAO-DQEYMECFSA-N 0 0 427.548 4.666 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2cccc(F)c2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546176 569200094 /nfs/dbraw/zinc/20/00/94/569200094.db2.gz MMGPCBZWHYYXPJ-DENIHFKCSA-N 0 0 429.511 4.544 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)N1CCSCC1 ZINC000037546900 569200379 /nfs/dbraw/zinc/20/03/79/569200379.db2.gz KTLLAPLYTBKZOM-UHFFFAOYSA-N 0 0 443.519 4.759 50 0 IJAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCc3ccc(F)cc3)cc2)cc1 ZINC000037556796 569200723 /nfs/dbraw/zinc/20/07/23/569200723.db2.gz IRSOMTDWMGIRLS-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCc3ccccc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602349 569202394 /nfs/dbraw/zinc/20/23/94/569202394.db2.gz YCADFJMGLOAXNO-CCLHPLFOSA-N 0 0 442.559 4.573 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)N(CC)CC ZINC000037603144 569202629 /nfs/dbraw/zinc/20/26/29/569202629.db2.gz GDPKCYNXBRZPFH-CLJLJLNGSA-N 0 0 448.607 4.905 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037603711 569202636 /nfs/dbraw/zinc/20/26/36/569202636.db2.gz KCUAXXYGIRZEBZ-ZEQRLZLVSA-N 0 0 440.559 4.638 50 0 IJAARN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)cc1 ZINC000037613888 569203000 /nfs/dbraw/zinc/20/30/00/569203000.db2.gz DNKMOSOMUBKGKX-QFIPXVFZSA-N 0 0 443.975 4.680 50 0 IJAARN COc1ccc(-c2csc(=Nc3cccc(C(F)(F)F)c3)n2CCCO)cc1F ZINC000252666612 569209694 /nfs/dbraw/zinc/20/96/94/569209694.db2.gz CAVRNDBJOJSWIQ-UHFFFAOYSA-N 0 0 426.435 4.998 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000252669748 569209820 /nfs/dbraw/zinc/20/98/20/569209820.db2.gz IOYMEZYNSLEHHO-UHFFFAOYSA-N 0 0 449.601 4.748 50 0 IJAARN CCN(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)c1ccc(C)c(C)c1 ZINC000003015515 569211259 /nfs/dbraw/zinc/21/12/59/569211259.db2.gz YYVOFOTXOQLFSP-UHFFFAOYSA-N 0 0 445.563 4.506 50 0 IJAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2Cl)CCO1 ZINC000002235472 569212079 /nfs/dbraw/zinc/21/20/79/569212079.db2.gz TYGWRLZAQLXBAN-BZNIZROVSA-N 0 0 442.368 4.800 50 0 IJAARN CC1(C)CC(=O)c2cc(C(=O)NCCc3ccccc3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000001140370 569212358 /nfs/dbraw/zinc/21/23/58/569212358.db2.gz WVZQEWYNYDWCCK-UHFFFAOYSA-N 0 0 448.950 4.619 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccc(F)cc4)C32)cc1 ZINC000002250817 569213812 /nfs/dbraw/zinc/21/38/12/569213812.db2.gz OPIFFYDAEPHBBN-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1OC ZINC000002253935 569216691 /nfs/dbraw/zinc/21/66/91/569216691.db2.gz HGNUEJHNYAKQGS-PKTZIBPZSA-N 0 0 444.516 4.570 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1C ZINC000002256843 569216969 /nfs/dbraw/zinc/21/69/69/569216969.db2.gz MELSXUGJKGNRLX-UHFFFAOYSA-N 0 0 446.507 4.745 50 0 IJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccccc2Br)c1 ZINC000027527505 569263253 /nfs/dbraw/zinc/26/32/53/569263253.db2.gz BBPPIMRWVCXLEC-UHFFFAOYSA-N 0 0 434.293 4.518 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4)C32)c(OC)c1 ZINC000002285946 569263865 /nfs/dbraw/zinc/26/38/65/569263865.db2.gz ZJXADUIYZQHNDH-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN c1csc(-c2nc3ccccc3c(N3CCOC[C@@H]3c3ncnn3-c3ccccc3)n2)c1 ZINC000253419353 569266630 /nfs/dbraw/zinc/26/66/30/569266630.db2.gz IOMNQCWQPCQLHW-HXUWFJFHSA-N 0 0 440.532 4.517 50 0 IJAARN c1csc(-c2nc3ccccc3c(N3CCOC[C@H]3c3ncnn3-c3ccccc3)n2)c1 ZINC000253419351 569266672 /nfs/dbraw/zinc/26/66/72/569266672.db2.gz IOMNQCWQPCQLHW-FQEVSTJZSA-N 0 0 440.532 4.517 50 0 IJAARN FC(F)(F)c1ccc2sc(N3CCOC[C@H]3c3ncnn3Cc3ccccc3)nc2c1 ZINC000253419280 569266680 /nfs/dbraw/zinc/26/66/80/569266680.db2.gz GJYCYMMCYABYRG-KRWDZBQOSA-N 0 0 445.470 4.533 50 0 IJAARN COc1ccc(C(NC(=O)c2ccccc2Cl)c2ccc(OC)c(OC)c2)cc1OC ZINC000002291089 569267874 /nfs/dbraw/zinc/26/78/74/569267874.db2.gz QLLCNWWFDSIULV-UHFFFAOYSA-N 0 0 441.911 4.894 50 0 IJAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002290818 569267922 /nfs/dbraw/zinc/26/79/22/569267922.db2.gz RNQVEZSMNLAGMA-UHFFFAOYSA-N 0 0 425.467 4.801 50 0 IJAARN CCCc1nc2sc3c(ncnc3SCC(=O)OCC)c2c2c1COC(C)(C)C2 ZINC000002298931 569268404 /nfs/dbraw/zinc/26/84/04/569268404.db2.gz YMUXMSWUUKSPLC-UHFFFAOYSA-N 0 0 431.583 4.699 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002327167 569274406 /nfs/dbraw/zinc/27/44/06/569274406.db2.gz INESZUAHCCGFSC-UHFFFAOYSA-N 0 0 425.467 4.533 50 0 IJAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CC(C)(C)OC3 ZINC000002327858 569274474 /nfs/dbraw/zinc/27/44/74/569274474.db2.gz DQZKIPNVUKPBOI-UHFFFAOYSA-N 0 0 438.578 4.728 50 0 IJAARN CCn1c2nnc(SCc3ccccc3Cl)n2c2sc3c(c2c1=O)CCCC3 ZINC000002343351 569275304 /nfs/dbraw/zinc/27/53/04/569275304.db2.gz JCSXOIHCHJVYCA-UHFFFAOYSA-N 0 0 430.986 4.950 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1Cl ZINC000002352959 569284591 /nfs/dbraw/zinc/28/45/91/569284591.db2.gz DTNFKCLZTUZYPA-UHFFFAOYSA-N 0 0 449.942 4.880 50 0 IJAARN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)C2Cc3ccccc3C2)[C@@H](F)C[C@@H]1O ZINC000027638734 569286175 /nfs/dbraw/zinc/28/61/75/569286175.db2.gz NHXJEEIAJJWMNC-IHMKMYTQSA-N 0 0 444.587 4.722 50 0 in-vitro IJAARN CCCCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002362796 569287743 /nfs/dbraw/zinc/28/77/43/569287743.db2.gz QFNAWZGFSWLEIQ-UHFFFAOYSA-N 0 0 428.945 4.843 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 ZINC000002368553 569288676 /nfs/dbraw/zinc/28/86/76/569288676.db2.gz YAGICGYWYYUSGY-UHFFFAOYSA-N 0 0 432.524 4.817 50 0 IJAARN CCCCc1ccc(-n2c(N)c(C(=O)NCCCOCC)c3nc4ccccc4nc32)cc1 ZINC000002373349 569289233 /nfs/dbraw/zinc/28/92/33/569289233.db2.gz QBJZWPCYUUIXDR-UHFFFAOYSA-N 0 0 445.567 4.655 50 0 IJAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(I)cc1 ZINC000002375340 569289268 /nfs/dbraw/zinc/28/92/68/569289268.db2.gz SKJNWHDDVBWEPM-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN O=C(/C=C/c1cc(Br)ccc1OC(F)F)Oc1ccc(-c2nnco2)cc1 ZINC000008825340 569290938 /nfs/dbraw/zinc/29/09/38/569290938.db2.gz DLLGGRDRLINPOY-FPYGCLRLSA-N 0 0 437.196 4.719 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3cc(Br)ccc3F)CC2)cc1 ZINC000009983998 569298850 /nfs/dbraw/zinc/29/88/50/569298850.db2.gz DXLSNEVHZYZPIH-RUDMXATFSA-N 0 0 446.316 4.732 50 0 IJAARN COc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc2c1OCCO2 ZINC000010025215 569299183 /nfs/dbraw/zinc/29/91/83/569299183.db2.gz TVILQWMZXJINLY-QZEKMECESA-N 0 0 436.533 4.843 50 0 IJAARN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc(Cl)c1OC(C)=O ZINC000002409986 569300609 /nfs/dbraw/zinc/30/06/09/569300609.db2.gz SWTGSRKXYUHAJS-UUASQNMZSA-N 0 0 440.666 4.925 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)s1 ZINC000002411371 569300903 /nfs/dbraw/zinc/30/09/03/569300903.db2.gz LJDNMHBBSILYOK-QGZVFWFLSA-N 0 0 441.871 4.749 50 0 IJAARN CC(C)CCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002410840 569300915 /nfs/dbraw/zinc/30/09/15/569300915.db2.gz MMYAEEMHUNYQQT-GOSISDBHSA-N 0 0 429.568 4.964 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002414300 569301224 /nfs/dbraw/zinc/30/12/24/569301224.db2.gz PZMQHAPSUZOBFI-UHFFFAOYSA-N 0 0 442.544 4.665 50 0 IJAARN COc1c(Br)cc(Cl)cc1NC(=O)CCc1c(C)nc(SC)nc1C ZINC000027830227 569301985 /nfs/dbraw/zinc/30/19/85/569301985.db2.gz MMTVIXICDYMTNQ-UHFFFAOYSA-N 0 0 444.782 4.811 50 0 IJAARN CCCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)C(C)(C)Cc2ccccc2-1 ZINC000002427436 569302566 /nfs/dbraw/zinc/30/25/66/569302566.db2.gz NBVZEMTUENQHSF-UHFFFAOYSA-N 0 0 430.577 4.942 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 ZINC000002429168 569302897 /nfs/dbraw/zinc/30/28/97/569302897.db2.gz HCEJOFCQXAZKBX-GOSISDBHSA-N 0 0 435.531 4.907 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002435246 569303646 /nfs/dbraw/zinc/30/36/46/569303646.db2.gz HABDKFHYNVLALI-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000012960435 569305440 /nfs/dbraw/zinc/30/54/40/569305440.db2.gz NPRUTHANMZTZBH-UHFFFAOYSA-N 0 0 438.892 4.524 50 0 IJAARN Brc1ccc(-c2nn3c(nnc3-c3ccccc3Br)s2)o1 ZINC000002453505 569305539 /nfs/dbraw/zinc/30/55/39/569305539.db2.gz NLNIOTPPPLPXCU-UHFFFAOYSA-N 0 0 426.093 4.638 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3OC)C2)c2ccccc12 ZINC000012998943 569306210 /nfs/dbraw/zinc/30/62/10/569306210.db2.gz AGEUDPKPFQRHAH-RBUKOAKNSA-N 0 0 446.547 4.587 50 0 IJAARN COc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC ZINC000013098693 569309920 /nfs/dbraw/zinc/30/99/20/569309920.db2.gz KTDWZFXHZOAIKR-UHFFFAOYSA-N 0 0 442.471 4.596 50 0 IJAARN O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NCC(F)(F)F ZINC000013137287 569311567 /nfs/dbraw/zinc/31/15/67/569311567.db2.gz YQHKYBRCNKJPTF-UHFFFAOYSA-N 0 0 447.404 4.874 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000013352279 569313280 /nfs/dbraw/zinc/31/32/80/569313280.db2.gz VTKRLSMTBHUHPX-UHFFFAOYSA-N 0 0 447.579 4.548 50 0 IJAARN Cc1cc(C)cc(C(=O)N2CCC(C(=O)NCc3csc(-c4cccs4)n3)CC2)c1 ZINC000013354133 569313412 /nfs/dbraw/zinc/31/34/12/569313412.db2.gz XHJAJFPEBADVPT-UHFFFAOYSA-N 0 0 439.606 4.657 50 0 IJAARN CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)C1CCCCC1 ZINC000013355187 569313544 /nfs/dbraw/zinc/31/35/44/569313544.db2.gz YGCXSPOYSXURSI-UHFFFAOYSA-N 0 0 426.582 4.543 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2F)cc1 ZINC000013366853 569314351 /nfs/dbraw/zinc/31/43/51/569314351.db2.gz BNCVRAAKXUCIQB-HXUWFJFHSA-N 0 0 442.288 4.759 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000328595420 569317732 /nfs/dbraw/zinc/31/77/32/569317732.db2.gz UUYHXEKYIWWWGM-INIZCTEOSA-N 0 0 432.705 4.764 50 0 IJAARN CCN(Cc1ccncc1)C(=O)c1ccccc1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328595303 569317750 /nfs/dbraw/zinc/31/77/50/569317750.db2.gz QSZCNQFZVQPIEV-UHFFFAOYSA-N 0 0 437.584 4.934 50 0 IJAARN O=C([O-])c1cccc2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c[nH]c21 ZINC000019313163 569317999 /nfs/dbraw/zinc/31/79/99/569317999.db2.gz RLEQWCPSRFQKGF-UHFFFAOYSA-N 0 0 425.532 4.773 50 0 biogenic IJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 ZINC000078814028 569319189 /nfs/dbraw/zinc/31/91/89/569319189.db2.gz PTVAELPAGOBPEP-BCOMRZATSA-N 0 0 434.989 4.993 50 0 IJAARN CC(=O)N1C[C@H](C)CN(Cc2nc(-c3ccc(Br)s3)no2)c2ccccc21 ZINC000078970459 569320932 /nfs/dbraw/zinc/32/09/32/569320932.db2.gz WHGKMEBKJPMBJT-GFCCVEGCSA-N 0 0 447.358 4.570 50 0 IJAARN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000078974412 569321049 /nfs/dbraw/zinc/32/10/49/569321049.db2.gz UCEXSKLXQPTKLT-WTPASJBYSA-N 0 0 444.597 4.577 50 0 IJAARN CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc(c32)C1=O ZINC000019943958 569332115 /nfs/dbraw/zinc/33/21/15/569332115.db2.gz HIOPMIFZOSTXKG-UHFFFAOYSA-N 0 0 449.315 4.563 50 0 IJAARN CCC1=Nc2cc(C(=O)NCC(OC)OC)ccc2Sc2ccc(Br)cc21 ZINC000020178981 569354672 /nfs/dbraw/zinc/35/46/72/569354672.db2.gz CLYOWDDCPUAPKY-UHFFFAOYSA-N 0 0 449.370 4.793 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccccc2F)S3)cc1 ZINC000020179936 569354952 /nfs/dbraw/zinc/35/49/52/569354952.db2.gz MBNDNAMEEHROHH-UCQKPKSFSA-N 0 0 448.519 4.874 50 0 IJAARN COc1cccc(/C=C2\Sc3ccc(C(=O)NCc4cccs4)cc3N(C)C2=O)c1 ZINC000020180473 569355147 /nfs/dbraw/zinc/35/51/47/569355147.db2.gz KTFCJWXUWNSFGF-MTJSOVHGSA-N 0 0 436.558 4.796 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCc1ccc(Cl)cc1 ZINC000020180705 569355166 /nfs/dbraw/zinc/35/51/66/569355166.db2.gz XYOFXVKCCJUPQW-XKZIYDEJSA-N 0 0 436.870 4.562 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020241161 569357862 /nfs/dbraw/zinc/35/78/62/569357862.db2.gz KXXPENDWSGBVDW-UHFFFAOYSA-N 0 0 435.593 4.536 50 0 IJAARN CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O ZINC000020242650 569358165 /nfs/dbraw/zinc/35/81/65/569358165.db2.gz WUGDACZNHULRIJ-YTTGMZPUSA-N 0 0 446.572 4.770 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CCN(c4ccccc4)CC3)c12 ZINC000020283733 569358870 /nfs/dbraw/zinc/35/88/70/569358870.db2.gz GNTFEBBEJHZBHG-UHFFFAOYSA-N 0 0 445.954 4.653 50 0 IJAARN Clc1ccc(-c2noc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)cc1 ZINC000020329653 569360704 /nfs/dbraw/zinc/36/07/04/569360704.db2.gz QDVBSFUFNJVCPW-UHFFFAOYSA-N 0 0 426.307 4.918 50 0 IJAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)c(OC)c1 ZINC000020380377 569362476 /nfs/dbraw/zinc/36/24/76/569362476.db2.gz SSAUIXXRSPKFJL-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC[C@@H](C)C2)cc1 ZINC000020381808 569362620 /nfs/dbraw/zinc/36/26/20/569362620.db2.gz BUMLVDRDFQSATO-OAHLLOKOSA-N 0 0 430.957 4.966 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(F)cc32)cc1 ZINC000020382596 569362748 /nfs/dbraw/zinc/36/27/48/569362748.db2.gz ZRXSMCVLQYBFHD-UHFFFAOYSA-N 0 0 435.476 4.755 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCCC2)cc1 ZINC000020386649 569363142 /nfs/dbraw/zinc/36/31/42/569363142.db2.gz AHYTWIJBBBIALA-HHHXNRCGSA-N 0 0 434.580 4.882 50 0 IJAARN CCOc1ccc(-c2cc3[nH]c(=O)n(-c4ccccc4C(F)(F)F)c(=O)c3s2)cc1 ZINC000020418888 569365144 /nfs/dbraw/zinc/36/51/44/569365144.db2.gz DTXHRELJJBTCEF-UHFFFAOYSA-N 0 0 432.423 4.825 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)NCCc2sccc2C)c2nc(C)cc(C)c12 ZINC000020437723 569365532 /nfs/dbraw/zinc/36/55/32/569365532.db2.gz YLBJSIZJRBEXIT-UHFFFAOYSA-N 0 0 448.592 4.843 50 0 IJAARN CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)c1c[nH]c2ncccc12 ZINC000095460213 569369631 /nfs/dbraw/zinc/36/96/31/569369631.db2.gz RULTWOXOYZRIRH-UHFFFAOYSA-N 0 0 435.553 4.755 50 0 IJAARN O=C(Nc1ccccc1)OCCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000095468094 569371244 /nfs/dbraw/zinc/37/12/44/569371244.db2.gz FPRLNHPAZNGQAQ-UHFFFAOYSA-N 0 0 431.521 4.729 50 0 IJAARN O=C1CCC[C@@H]1[C@@H](c1ccccc1)N(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000095481840 569374152 /nfs/dbraw/zinc/37/41/52/569374152.db2.gz LXFHVPSHSMKJLP-GBXCKJPGSA-N 0 0 430.529 4.753 50 0 IJAARN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc(Cl)cc1Cl ZINC000095482185 569374270 /nfs/dbraw/zinc/37/42/70/569374270.db2.gz RKYKCSWNFOGUEE-UHFFFAOYSA-N 0 0 426.687 4.734 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000021089751 569376030 /nfs/dbraw/zinc/37/60/30/569376030.db2.gz SDOYSJZNXHBEQE-UHFFFAOYSA-N 0 0 436.581 4.743 50 0 IJAARN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095953797 569376729 /nfs/dbraw/zinc/37/67/29/569376729.db2.gz GIVPWONWDRDLMH-UHFFFAOYSA-N 0 0 447.149 4.748 50 0 IJAARN Brc1cnc2[nH]c(CSc3nnc(-c4cccs4)n3C3CC3)nc2c1 ZINC000095960839 569377051 /nfs/dbraw/zinc/37/70/51/569377051.db2.gz MUYJLESFQDHHJS-UHFFFAOYSA-N 0 0 433.360 4.668 50 0 IJAARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995160 569378605 /nfs/dbraw/zinc/37/86/05/569378605.db2.gz UUAPHMQOSYIGMQ-BFYDXBDKSA-N 0 0 428.495 4.646 50 0 IJAARN O=S(=O)(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)c1ccc(F)c2ncccc12 ZINC000096005697 569379336 /nfs/dbraw/zinc/37/93/36/569379336.db2.gz JNVYZAGWTNQBOV-UHFFFAOYSA-N 0 0 444.875 4.756 50 0 IJAARN Cc1ccccc1-n1ncc(C(=O)N2CCC(CCCn3ccnc3)CC2)c1C(F)(F)F ZINC000096009093 569379602 /nfs/dbraw/zinc/37/96/02/569379602.db2.gz JUAWNVQRSFNVDJ-UHFFFAOYSA-N 0 0 445.489 4.729 50 0 IJAARN Cc1cc(Br)cc(C)c1NCc1nccn1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000096012845 569380228 /nfs/dbraw/zinc/38/02/28/569380228.db2.gz NLSMKIAOSKQFSE-IRXDYDNUSA-N 0 0 433.394 4.664 50 0 IJAARN O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096096036 569381130 /nfs/dbraw/zinc/38/11/30/569381130.db2.gz OTJLQCRUAZMYCU-KVDXNUTJSA-N 0 0 439.471 4.579 50 0 IJAARN Cc1nc(-c2ccccc2C)sc1CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000096096725 569381341 /nfs/dbraw/zinc/38/13/41/569381341.db2.gz GZIKXBUKCDCISB-UHFFFAOYSA-N 0 0 426.485 4.924 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1csc(-c2ccccc2)n1 ZINC000096103609 569382065 /nfs/dbraw/zinc/38/20/65/569382065.db2.gz FCXAJIDVRZWACC-UHFFFAOYSA-N 0 0 429.501 4.854 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1C1=Cc2ccccc2OC1 ZINC000096115498 569383348 /nfs/dbraw/zinc/38/33/48/569383348.db2.gz QUSRTUXFOXMSAD-RDGATRHJSA-N 0 0 437.451 4.752 50 0 biogenic IJAARN COc1ccc(Br)c(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c1 ZINC000096119038 569384516 /nfs/dbraw/zinc/38/45/16/569384516.db2.gz PRTDHYHWBKKRDM-LBPRGKRZSA-N 0 0 448.342 4.589 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)oc2c1C ZINC000096221894 569387006 /nfs/dbraw/zinc/38/70/06/569387006.db2.gz HRGNBIZBKUCPQN-QHCPKHFHSA-N 0 0 447.535 4.741 50 0 biogenic IJAARN CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000096275822 569388405 /nfs/dbraw/zinc/38/84/05/569388405.db2.gz NVNPGOYABZPXLB-QGZVFWFLSA-N 0 0 433.386 4.611 50 0 IJAARN CCN1C(=S)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2OC)=C1C ZINC000096278253 569389102 /nfs/dbraw/zinc/38/91/02/569389102.db2.gz MUUKJTCVUYOYDR-LJQANCHMSA-N 0 0 449.498 4.878 50 0 IJAARN O=C(NCC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)c(F)c1 ZINC000096280378 569389525 /nfs/dbraw/zinc/38/95/25/569389525.db2.gz NSCSMPXTTQUQPH-UHFFFAOYSA-N 0 0 425.298 4.932 50 0 IJAARN O=C(NCc1ccco1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000096280518 569389597 /nfs/dbraw/zinc/38/95/97/569389597.db2.gz QKKSREUBXWHHSX-VGSWGCGISA-N 0 0 439.462 4.859 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000096280615 569389658 /nfs/dbraw/zinc/38/96/58/569389658.db2.gz FEHBPXZOHLEULQ-UHFFFAOYSA-N 0 0 430.936 4.510 50 0 IJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NC[C@H]1COc2ccccc2O1 ZINC000096289098 569390533 /nfs/dbraw/zinc/39/05/33/569390533.db2.gz DRILBGMTKBIJCD-PKOBYXMFSA-N 0 0 447.922 4.695 50 0 IJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NC[C@@H]1COc2ccccc2O1 ZINC000096289096 569390538 /nfs/dbraw/zinc/39/05/38/569390538.db2.gz DRILBGMTKBIJCD-IEBWSBKVSA-N 0 0 447.922 4.695 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)C2CCC2)C2CC2)cc1 ZINC000096289430 569390676 /nfs/dbraw/zinc/39/06/76/569390676.db2.gz CGTHWKBNMPPJEA-UHFFFAOYSA-N 0 0 433.957 4.707 50 0 IJAARN COCc1nnc(SCc2ccccc2C(=O)NCc2ccco2)n1-c1ccc(C)cc1 ZINC000096290738 569391022 /nfs/dbraw/zinc/39/10/22/569391022.db2.gz OGQANYXKUNMHBZ-UHFFFAOYSA-N 0 0 448.548 4.537 50 0 IJAARN CCC(=O)N1CCN(Cc2c(-c3ccc(F)cc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000096292308 569391256 /nfs/dbraw/zinc/39/12/56/569391256.db2.gz IRRTWONXESRDLN-UHFFFAOYSA-N 0 0 442.538 4.862 50 0 IJAARN O=C(Nc1ccc2c(c1)S(=O)(=O)N=C(C1CCCC1)N2c1ccccc1)c1ccco1 ZINC000096292584 569391331 /nfs/dbraw/zinc/39/13/31/569391331.db2.gz LUEZKZWIYXVCJQ-UHFFFAOYSA-N 0 0 435.505 4.961 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C(C)C)n2)cc1 ZINC000096293199 569391421 /nfs/dbraw/zinc/39/14/21/569391421.db2.gz ZHELCVRZJPLDMS-UHFFFAOYSA-N 0 0 433.430 4.857 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(CC(C)C)N3CC(C)C)cc1 ZINC000096293424 569391504 /nfs/dbraw/zinc/39/15/04/569391504.db2.gz MXOCVIGNLMMALI-UHFFFAOYSA-N 0 0 443.569 4.557 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000096293766 569391629 /nfs/dbraw/zinc/39/16/29/569391629.db2.gz SMRATVJCBMYEQV-HXUWFJFHSA-N 0 0 449.334 4.894 50 0 IJAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)c1 ZINC000096293976 569391644 /nfs/dbraw/zinc/39/16/44/569391644.db2.gz NFDQJIKXNIINHF-UHFFFAOYSA-N 0 0 431.467 4.769 50 0 IJAARN CCCCN(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000096293845 569391661 /nfs/dbraw/zinc/39/16/61/569391661.db2.gz XUUXMQWZRJBEPC-UHFFFAOYSA-N 0 0 443.931 4.892 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(-c2nc3ccccc3o2)cc1Cl ZINC000096294308 569391761 /nfs/dbraw/zinc/39/17/61/569391761.db2.gz BRPFVZSOBKRIBJ-UHFFFAOYSA-N 0 0 449.893 4.764 50 0 IJAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)Cc3ccc(F)cc3)n2)c1 ZINC000096294045 569391767 /nfs/dbraw/zinc/39/17/67/569391767.db2.gz QXFCOUNIOBQUBT-UHFFFAOYSA-N 0 0 445.494 4.698 50 0 IJAARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000096299974 569392052 /nfs/dbraw/zinc/39/20/52/569392052.db2.gz CXQOUNWHIZDHNJ-GOSISDBHSA-N 0 0 448.438 4.941 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)o1)Cc1ccccc1F ZINC000096322771 569394900 /nfs/dbraw/zinc/39/49/00/569394900.db2.gz ICZQQDBDLLQVBZ-UHFFFAOYSA-N 0 0 432.860 4.904 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4cc(C)c(C)cc4C)o3)n2)cc1 ZINC000096322738 569394934 /nfs/dbraw/zinc/39/49/34/569394934.db2.gz BYDDZGDGNAPVCQ-UHFFFAOYSA-N 0 0 438.505 4.904 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)c(C)c2)C4)cc1 ZINC000096323747 569395502 /nfs/dbraw/zinc/39/55/02/569395502.db2.gz FDIYDHHPSFCNON-UHFFFAOYSA-N 0 0 433.537 4.673 50 0 IJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cc(F)ccc2Cl)no1 ZINC000096349762 569397269 /nfs/dbraw/zinc/39/72/69/569397269.db2.gz SEZGPBJHJJWPFE-UHFFFAOYSA-N 0 0 426.879 4.942 50 0 IJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccc(Br)o1 ZINC000096349857 569397433 /nfs/dbraw/zinc/39/74/33/569397433.db2.gz VEUPYCRXWRSTAK-UHFFFAOYSA-N 0 0 449.692 4.542 50 0 IJAARN CC(=O)c1cccc(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000096399748 569400227 /nfs/dbraw/zinc/40/02/27/569400227.db2.gz KZRUUXYUSQHMFX-UHFFFAOYSA-N 0 0 431.539 4.573 50 0 IJAARN CCCOC(=O)c1nccnc1C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000096582081 569401774 /nfs/dbraw/zinc/40/17/74/569401774.db2.gz FYFJLIKEMALELI-UHFFFAOYSA-N 0 0 425.872 4.528 50 0 IJAARN CCCN(C(=O)Cc1cccc2ccc(OC)cc21)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000097021226 569402823 /nfs/dbraw/zinc/40/28/23/569402823.db2.gz SYACMKSWQPDLHT-UHFFFAOYSA-N 0 0 446.595 4.705 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)Nc1ccccc1F ZINC000002478156 569404620 /nfs/dbraw/zinc/40/46/20/569404620.db2.gz XUVPCWXSQAKFOH-UHFFFAOYSA-N 0 0 443.194 4.927 50 0 IJAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(Br)cc2)N1Cc1ccccc1 ZINC000002502968 569406008 /nfs/dbraw/zinc/40/60/08/569406008.db2.gz PHCOMMMUDONFDG-FQEVSTJZSA-N 0 0 429.339 4.764 50 0 IJAARN COc1ccccc1C(=O)Nc1cc2c(cc1SC1CCCCC1)n(C)c(=O)n2C ZINC000028049192 569406733 /nfs/dbraw/zinc/40/67/33/569406733.db2.gz WDTGBUHGQAUPSR-UHFFFAOYSA-N 0 0 425.554 4.563 50 0 IJAARN CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCc2c3cc(OC)ccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000299754362 569409018 /nfs/dbraw/zinc/40/90/18/569409018.db2.gz DBIUIUGXWXMGLB-KXXXHFJOSA-N 0 0 445.563 4.741 50 0 biogenic IJAARN COc1ccccc1[C@@H](CNC(=O)c1oc2ccc(Br)cc2c1C)N(C)C ZINC000028232062 569409269 /nfs/dbraw/zinc/40/92/69/569409269.db2.gz IHRBJTQXHUFEDX-QGZVFWFLSA-N 0 0 431.330 4.545 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1C[C@@H]1CCCO1 ZINC000002618219 569410482 /nfs/dbraw/zinc/41/04/82/569410482.db2.gz LTOJKOHILZLEAS-NRFANRHFSA-N 0 0 427.516 4.661 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCCOc2ccccc2)c1 ZINC000002619589 569410844 /nfs/dbraw/zinc/41/08/44/569410844.db2.gz BTLTXFNQURCLLR-UHFFFAOYSA-N 0 0 434.517 4.574 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000002622773 569411337 /nfs/dbraw/zinc/41/13/37/569411337.db2.gz WGOMQZZJLDQFQR-UHFFFAOYSA-N 0 0 430.508 4.755 50 0 IJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1C ZINC000002626279 569411742 /nfs/dbraw/zinc/41/17/42/569411742.db2.gz IQKIPPGUWPEMMB-UHFFFAOYSA-N 0 0 429.542 4.917 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1C ZINC000002626908 569411744 /nfs/dbraw/zinc/41/17/44/569411744.db2.gz UUQNGTBGIKIIPX-UHFFFAOYSA-N 0 0 445.544 4.817 50 0 IJAARN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC3CCCCC3)c2c1 ZINC000215697518 569412445 /nfs/dbraw/zinc/41/24/45/569412445.db2.gz QSEBUWLXSMEXMH-OYKKKHCWSA-N 0 0 431.536 4.644 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000002635722 569412926 /nfs/dbraw/zinc/41/29/26/569412926.db2.gz JWABVGZTOMRFKZ-GFCCVEGCSA-N 0 0 440.594 4.956 50 0 IJAARN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002645579 569414164 /nfs/dbraw/zinc/41/41/64/569414164.db2.gz BLMKRJNYYOETBB-UHFFFAOYSA-N 0 0 432.192 4.568 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000002648042 569414396 /nfs/dbraw/zinc/41/43/96/569414396.db2.gz ZAGMJXTWXWQYKQ-VQTJNVASSA-N 0 0 444.531 4.598 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1 ZINC000002653842 569415304 /nfs/dbraw/zinc/41/53/04/569415304.db2.gz UYRFGXMGJHJXSI-UHFFFAOYSA-N 0 0 445.610 4.630 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3Cl)s2)cc1 ZINC000002656684 569415477 /nfs/dbraw/zinc/41/54/77/569415477.db2.gz FOLLSKFZXNLRTR-UHFFFAOYSA-N 0 0 437.905 4.662 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1C ZINC000002658061 569415636 /nfs/dbraw/zinc/41/56/36/569415636.db2.gz FYFAAWDVWJNFJO-NSHDSACASA-N 0 0 427.357 4.637 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000028685847 569417280 /nfs/dbraw/zinc/41/72/80/569417280.db2.gz XCQNTGXCSLACCP-UHFFFAOYSA-N 0 0 431.311 4.768 50 0 IJAARN Cc1c(-c2csc(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)n2)cnn1C ZINC000002728372 569418705 /nfs/dbraw/zinc/41/87/05/569418705.db2.gz XVQCCNDBINAVOH-UHFFFAOYSA-N 0 0 442.438 4.521 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)c1 ZINC000002745016 569419939 /nfs/dbraw/zinc/41/99/39/569419939.db2.gz LGCLDEQAQUQKDI-UHFFFAOYSA-N 0 0 440.324 4.765 50 0 IJAARN CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1ccc(OC(F)F)cc1 ZINC000002793146 569421924 /nfs/dbraw/zinc/42/19/24/569421924.db2.gz MBBXLSQSPRTYAS-UHFFFAOYSA-N 0 0 425.407 4.820 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@@H]4C)c3N2)cc1 ZINC000002807490 569422767 /nfs/dbraw/zinc/42/27/67/569422767.db2.gz YBQJYUOUXMXGEI-JBYOLUDKSA-N 0 0 438.478 4.846 50 0 IJAARN COc1cccc(OCCOc2ccccc2/C=C2/N=C(c3ccc(F)cc3)OC2=O)c1 ZINC000002825237 569423136 /nfs/dbraw/zinc/42/31/36/569423136.db2.gz ZSXMUZOKOPRKEU-PXLXIMEGSA-N 0 0 433.435 4.637 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 ZINC000002908927 569424762 /nfs/dbraw/zinc/42/47/62/569424762.db2.gz HVWOHDAEGFIGHC-UHFFFAOYSA-N 0 0 435.574 4.740 50 0 IJAARN Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911041 569424842 /nfs/dbraw/zinc/42/48/42/569424842.db2.gz ZQEGKTLTISZXBZ-UHFFFAOYSA-N 0 0 441.915 4.537 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000002915258 569425092 /nfs/dbraw/zinc/42/50/92/569425092.db2.gz IAADRNHSNVRJAZ-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN C[C@H](C(=O)Nc1cccc(-c2cn3ccsc3n2)c1)n1nc(-c2cccs2)ccc1=O ZINC000056905930 569427557 /nfs/dbraw/zinc/42/75/57/569427557.db2.gz QSCLJAUQBKFKAF-CQSZACIVSA-N 0 0 447.545 4.548 50 0 IJAARN O=c1cc(CN2CCN(c3ccccc3F)CC2)occ1OCc1cccc2ccccc21 ZINC000056949886 569428289 /nfs/dbraw/zinc/42/82/89/569428289.db2.gz BHPNRVYNJJEBFZ-UHFFFAOYSA-N 0 0 444.506 4.833 50 0 IJAARN CCOc1ccc([C@H]2CCCN2CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 ZINC000057315216 569430788 /nfs/dbraw/zinc/43/07/88/569430788.db2.gz AUOVXLCQTAEKPX-SHQCIBLASA-N 0 0 443.547 4.800 50 0 IJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OC(F)F ZINC000029606430 569431572 /nfs/dbraw/zinc/43/15/72/569431572.db2.gz KNLYZHFWHZYFQC-UHFFFAOYSA-N 0 0 438.434 4.806 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21)c1ccc(F)cc1 ZINC000002964371 569432889 /nfs/dbraw/zinc/43/28/89/569432889.db2.gz BBEREHRLTUYWNX-OAQYLSRUSA-N 0 0 443.503 4.643 50 0 IJAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccccc4F)n3n2)n1 ZINC000002969170 569433106 /nfs/dbraw/zinc/43/31/06/569433106.db2.gz HHDKPHQOMYWHSK-UHFFFAOYSA-N 0 0 432.528 4.765 50 0 IJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000057425330 569434364 /nfs/dbraw/zinc/43/43/64/569434364.db2.gz NYSSMGSKIWVFDX-UHFFFAOYSA-N 0 0 428.366 4.906 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c(C)c1 ZINC000057425425 569434401 /nfs/dbraw/zinc/43/44/01/569434401.db2.gz OWWMMMPIOCUUGS-UHFFFAOYSA-N 0 0 435.574 4.854 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000057425478 569434423 /nfs/dbraw/zinc/43/44/23/569434423.db2.gz HJAVZJLKKLPEQH-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCCC[C@@H]2C)cc1C ZINC000057428486 569434927 /nfs/dbraw/zinc/43/49/27/569434927.db2.gz VGWSLRGXCNFAAU-INIZCTEOSA-N 0 0 427.595 4.557 50 0 IJAARN COc1ccc2nc(NC(=O)COC(=O)c3c4ccccc4nc4c3CCCC4)sc2c1 ZINC000002995721 569435013 /nfs/dbraw/zinc/43/50/13/569435013.db2.gz RWGCMGJGYWAXMI-UHFFFAOYSA-N 0 0 447.516 4.527 50 0 IJAARN CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1F ZINC000003025015 569436227 /nfs/dbraw/zinc/43/62/27/569436227.db2.gz PUJJRCIWTIALGJ-UHFFFAOYSA-N 0 0 432.561 4.768 50 0 IJAARN CCOC(=O)Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003026272 569436281 /nfs/dbraw/zinc/43/62/81/569436281.db2.gz CHPDXDJNMJLUAP-UHFFFAOYSA-N 0 0 443.952 4.841 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000057487700 569436834 /nfs/dbraw/zinc/43/68/34/569436834.db2.gz ABOYSGZWAAISEK-GJZGRUSLSA-N 0 0 441.622 4.661 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488046 569436898 /nfs/dbraw/zinc/43/68/98/569436898.db2.gz LBDIHZAEIPNNPE-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C ZINC000057488379 569436958 /nfs/dbraw/zinc/43/69/58/569436958.db2.gz XOYDHNRHTVEJCT-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1F ZINC000003031236 569437616 /nfs/dbraw/zinc/43/76/16/569437616.db2.gz ZWEPRCUGJBFZBQ-UHFFFAOYSA-N 0 0 446.931 4.827 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCC2=CCCCC2)cc1OC ZINC000003037512 569437984 /nfs/dbraw/zinc/43/79/84/569437984.db2.gz MVEMIPDLHYFDEN-RUZDIDTESA-N 0 0 440.584 4.639 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4F)c(C)n3n2)cc1 ZINC000003037367 569437997 /nfs/dbraw/zinc/43/79/97/569437997.db2.gz SHXZYUVZYVBMIC-UHFFFAOYSA-N 0 0 435.528 4.510 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1F ZINC000057522930 569439050 /nfs/dbraw/zinc/43/90/50/569439050.db2.gz VOXFEDGETCSWDR-UHFFFAOYSA-N 0 0 448.523 4.905 50 0 IJAARN CCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1 ZINC000057527665 569439151 /nfs/dbraw/zinc/43/91/51/569439151.db2.gz GXUNAGFVURCSLN-UHFFFAOYSA-N 0 0 446.732 4.527 50 0 IJAARN O=C(NCCC1=CCCCC1)c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000003051726 569439311 /nfs/dbraw/zinc/43/93/11/569439311.db2.gz KEBPVVMOGCDFAR-UHFFFAOYSA-N 0 0 439.968 4.948 50 0 IJAARN CCN1c2cc(C(=O)NCc3cc(OC)ccc3OC)ccc2Sc2ccccc2C1=O ZINC000003060483 569439545 /nfs/dbraw/zinc/43/95/45/569439545.db2.gz UBIIDINUBPLOJO-UHFFFAOYSA-N 0 0 448.544 4.765 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2 ZINC000003063313 569439619 /nfs/dbraw/zinc/43/96/19/569439619.db2.gz VWUNDFLVTPHMFP-SFHVURJKSA-N 0 0 434.967 4.795 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000003091952 569440086 /nfs/dbraw/zinc/44/00/86/569440086.db2.gz RWEUGTMZKDGBTE-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN COc1cc([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC1CCCC1 ZINC000057616265 569440282 /nfs/dbraw/zinc/44/02/82/569440282.db2.gz KNLIJVDEAHBZRY-HNNXBMFYSA-N 0 0 429.513 4.533 50 0 IJAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 ZINC000030013223 569440336 /nfs/dbraw/zinc/44/03/36/569440336.db2.gz QURGIEFVEJENSN-UHFFFAOYSA-N 0 0 445.567 4.685 50 0 IJAARN Cc1cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2c(C)c1 ZINC000003198252 569441548 /nfs/dbraw/zinc/44/15/48/569441548.db2.gz FWIHZWWCLGQKGS-UHFFFAOYSA-N 0 0 443.594 4.730 50 0 IJAARN COc1cc(CC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000003225535 569442136 /nfs/dbraw/zinc/44/21/36/569442136.db2.gz WNONBTJVKOZBMQ-UHFFFAOYSA-N 0 0 426.509 4.729 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C ZINC000003230596 569442322 /nfs/dbraw/zinc/44/23/22/569442322.db2.gz SNZOAYYHDSRAPY-UHFFFAOYSA-N 0 0 426.523 4.589 50 0 IJAARN CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1OCC ZINC000003235460 569442429 /nfs/dbraw/zinc/44/24/29/569442429.db2.gz ZMDIJHPFLCFLNW-UHFFFAOYSA-N 0 0 426.296 4.895 50 0 IJAARN CCOC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000003239290 569442528 /nfs/dbraw/zinc/44/25/28/569442528.db2.gz DTNBVQSVHHHGLA-UHFFFAOYSA-N 0 0 438.336 4.808 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCCCc1ccccc1 ZINC000003239994 569442542 /nfs/dbraw/zinc/44/25/42/569442542.db2.gz WWGQILYIVAXNLJ-UHFFFAOYSA-N 0 0 434.590 4.837 50 0 IJAARN CCN(c1ccc(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)cc1)C(C)C ZINC000057919423 569442933 /nfs/dbraw/zinc/44/29/33/569442933.db2.gz FBACHYYXEIVGIW-UHFFFAOYSA-N 0 0 431.587 4.775 50 0 IJAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003255728 569443072 /nfs/dbraw/zinc/44/30/72/569443072.db2.gz UAXZMFUCJMRCIF-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN Cc1ccc(Cl)c(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)c1Cl ZINC000003261416 569443267 /nfs/dbraw/zinc/44/32/67/569443267.db2.gz HFXNAIZVEZQXIR-LLVKDONJSA-N 0 0 440.714 4.751 50 0 IJAARN Cc1cc(Cl)ccc1OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003281761 569443913 /nfs/dbraw/zinc/44/39/13/569443913.db2.gz HNXFYUZOLMHFJY-UHFFFAOYSA-N 0 0 427.909 4.619 50 0 IJAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003291951 569444481 /nfs/dbraw/zinc/44/44/81/569444481.db2.gz DCZGLDNJQLPOOK-UHFFFAOYSA-N 0 0 440.739 4.993 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 ZINC000003292511 569444487 /nfs/dbraw/zinc/44/44/87/569444487.db2.gz QXKUPORPXNMKSW-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000003303405 569445129 /nfs/dbraw/zinc/44/51/29/569445129.db2.gz PXKWSDRGGKHVRZ-FQEVSTJZSA-N 0 0 440.927 4.700 50 0 IJAARN O=C(OCc1ccc(Br)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000003303628 569445136 /nfs/dbraw/zinc/44/51/36/569445136.db2.gz SHBRJXKURRKQHR-UXHICEINSA-N 0 0 442.353 4.888 50 0 IJAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c2ccccc2c1=O ZINC000003303988 569445195 /nfs/dbraw/zinc/44/51/95/569445195.db2.gz KFMDPURJBRKOSH-UHFFFAOYSA-N 0 0 449.551 4.896 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003313307 569445595 /nfs/dbraw/zinc/44/55/95/569445595.db2.gz WLTPBWPPRRRTAA-UHFFFAOYSA-N 0 0 429.398 4.948 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3ccncc3)n2C)c2ccccc2)c1 ZINC000003314550 569445661 /nfs/dbraw/zinc/44/56/61/569445661.db2.gz MZMJGORTGHTQOX-OAQYLSRUSA-N 0 0 443.532 4.552 50 0 IJAARN O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1Cc1ccccc1 ZINC000003330842 569446416 /nfs/dbraw/zinc/44/64/16/569446416.db2.gz CRUOJGGNMYIYRV-UHFFFAOYSA-N 0 0 437.337 4.799 50 0 IJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003340404 569446813 /nfs/dbraw/zinc/44/68/13/569446813.db2.gz NOBOUIBPRNTHCG-NRFANRHFSA-N 0 0 447.000 4.712 50 0 IJAARN O=S(=O)(Nc1ccccc1Cl)c1cc(Br)ccc1Br ZINC000003342003 569446940 /nfs/dbraw/zinc/44/69/40/569446940.db2.gz LFRVEBWQSBAKOI-UHFFFAOYSA-N 0 0 425.529 4.666 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1CCc1ccc(F)cc1 ZINC000003347143 569447172 /nfs/dbraw/zinc/44/71/72/569447172.db2.gz BSVGVYTVEXKRDA-UHFFFAOYSA-N 0 0 440.466 4.609 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)cc1 ZINC000003352282 569447400 /nfs/dbraw/zinc/44/74/00/569447400.db2.gz RMPFLMNTDDEUNT-UHFFFAOYSA-N 0 0 438.481 4.623 50 0 IJAARN CCc1ccc(N2C[C@@H](C(=O)N(C3=N[C@@H](C)CS3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000003354852 569447568 /nfs/dbraw/zinc/44/75/68/569447568.db2.gz DZOYJXXCGRVJOY-RDJZCZTQSA-N 0 0 441.984 4.780 50 0 IJAARN CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc2ccccn21 ZINC000003355266 569447596 /nfs/dbraw/zinc/44/75/96/569447596.db2.gz AZIJYJUUUTXTTF-UHFFFAOYSA-N 0 0 432.299 4.707 50 0 IJAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OCc2ccccc2C)cc1 ZINC000058110960 569447821 /nfs/dbraw/zinc/44/78/21/569447821.db2.gz LSPLZVCLGVKVOZ-FQEVSTJZSA-N 0 0 449.576 4.644 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccccc1Cl ZINC000003365601 569448138 /nfs/dbraw/zinc/44/81/38/569448138.db2.gz JTBXMQGPSGCUKP-UHFFFAOYSA-N 0 0 449.963 4.507 50 0 IJAARN Cn1c(=O)c2c3c(sc2nc1SCc1nnc(-c2ccc(Cl)cc2)o1)CCCC3 ZINC000003379058 569448721 /nfs/dbraw/zinc/44/87/21/569448721.db2.gz DWZJZNCFHORNOC-UHFFFAOYSA-N 0 0 444.969 4.870 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000058148582 569448777 /nfs/dbraw/zinc/44/87/77/569448777.db2.gz CYFMIWYPWMBOQZ-CQSZACIVSA-N 0 0 447.516 4.633 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1F)C(=O)N(C)c1ccccc1 ZINC000003395742 569449423 /nfs/dbraw/zinc/44/94/23/569449423.db2.gz WRHBYVMVQYPLMP-MRXNPFEDSA-N 0 0 433.512 4.612 50 0 IJAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 ZINC000003398203 569449505 /nfs/dbraw/zinc/44/95/05/569449505.db2.gz MRAFYAJGCQRKHE-UHFFFAOYSA-N 0 0 439.265 4.682 50 0 IJAARN CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)c1ccccc1 ZINC000003416224 569450214 /nfs/dbraw/zinc/45/02/14/569450214.db2.gz NYGCJFAYZAGXSZ-UHFFFAOYSA-N 0 0 449.963 4.853 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)c2cc(C)ccc2C)cc1 ZINC000003417683 569450311 /nfs/dbraw/zinc/45/03/11/569450311.db2.gz JBMKGLOXICWEHR-UHFFFAOYSA-N 0 0 445.515 4.923 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 ZINC000003418575 569450342 /nfs/dbraw/zinc/45/03/42/569450342.db2.gz WBIGHSUWNNAIBF-UHFFFAOYSA-N 0 0 428.492 4.783 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc3c2=O)cc1 ZINC000003421172 569450408 /nfs/dbraw/zinc/45/04/08/569450408.db2.gz XIGHGCOQDBNGCW-UHFFFAOYSA-N 0 0 433.508 4.623 50 0 IJAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Br)cc3F)ccc12 ZINC000003424779 569450540 /nfs/dbraw/zinc/45/05/40/569450540.db2.gz FSPMGTKPRAAQTP-UHFFFAOYSA-N 0 0 434.261 4.665 50 0 IJAARN COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000058219019 569450793 /nfs/dbraw/zinc/45/07/93/569450793.db2.gz NUROPUBNQFFNFO-ZDUSSCGKSA-N 0 0 442.774 4.805 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2Cc2ccco2)cc1 ZINC000003444030 569451329 /nfs/dbraw/zinc/45/13/29/569451329.db2.gz OELJYWZXNBKOTQ-UHFFFAOYSA-N 0 0 438.597 4.989 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)N1CCc2ccccc21 ZINC000003447588 569451425 /nfs/dbraw/zinc/45/14/25/569451425.db2.gz CILFAMJVGVVLMS-UHFFFAOYSA-N 0 0 439.968 4.846 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003450731 569451591 /nfs/dbraw/zinc/45/15/91/569451591.db2.gz LDVFFKYHOLTDDD-GOSISDBHSA-N 0 0 429.545 4.588 50 0 IJAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccc(Br)cc1 ZINC000003494111 569452614 /nfs/dbraw/zinc/45/26/14/569452614.db2.gz UWTNICGKMQYJNZ-UHFFFAOYSA-N 0 0 439.762 4.751 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccncc3)nc3ccccc31)CC2 ZINC000031034672 569452731 /nfs/dbraw/zinc/45/27/31/569452731.db2.gz VHUBFCBDLKHYTM-UHFFFAOYSA-N 0 0 425.488 4.513 50 0 biogenic IJAARN CSc1ccccc1NC(=O)CN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000031039902 569452830 /nfs/dbraw/zinc/45/28/30/569452830.db2.gz OXRBQBCZALPBHE-UHFFFAOYSA-N 0 0 426.369 4.614 50 0 IJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003513415 569453025 /nfs/dbraw/zinc/45/30/25/569453025.db2.gz FLKYMIJPGAHWFZ-HSZRJFAPSA-N 0 0 447.918 4.922 50 0 IJAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1Cl ZINC000003569933 569454186 /nfs/dbraw/zinc/45/41/86/569454186.db2.gz UEIWRVCMDIUZJM-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587970 569454522 /nfs/dbraw/zinc/45/45/22/569454522.db2.gz JFECVYJQNNKUJG-SSDVNMTOSA-N 0 0 448.475 4.570 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3[nH]c2=S)cc1 ZINC000003630356 569455304 /nfs/dbraw/zinc/45/53/04/569455304.db2.gz GGPKAYNWUNFYJK-UHFFFAOYSA-N 0 0 431.517 4.552 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC[C@H](O)c1ccc(F)c(F)c1 ZINC000031297230 569455607 /nfs/dbraw/zinc/45/56/07/569455607.db2.gz RDASGOWMFVILDL-FQEVSTJZSA-N 0 0 447.279 4.561 50 0 IJAARN O=C(c1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003653752 569455705 /nfs/dbraw/zinc/45/57/05/569455705.db2.gz SSDHBFYUKWPRGC-UHFFFAOYSA-N 0 0 445.905 4.544 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657906 569455803 /nfs/dbraw/zinc/45/58/03/569455803.db2.gz OMEDUCFUPPRBBT-BJKOFHAPSA-N 0 0 430.504 4.643 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)Nc3cccc(OCc4ccccn4)c3)c(=O)oc2c1 ZINC000031453837 569456481 /nfs/dbraw/zinc/45/64/81/569456481.db2.gz CFFBJRMPCQGBNI-UHFFFAOYSA-N 0 0 444.487 4.655 50 0 IJAARN COC(=O)c1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2C2CC2)oc1C ZINC000058744329 569456931 /nfs/dbraw/zinc/45/69/31/569456931.db2.gz NDEBLCYOFMIZJQ-UHFFFAOYSA-N 0 0 448.306 4.675 50 0 IJAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000031817856 569457963 /nfs/dbraw/zinc/45/79/63/569457963.db2.gz QYWLJKROHANYLJ-VWLOTQADSA-N 0 0 439.559 4.841 50 0 IJAARN Cc1nc2ccccc2c(=O)n1CCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000031968891 569458604 /nfs/dbraw/zinc/45/86/04/569458604.db2.gz JXQASNNKTMLGCG-XMMPIXPASA-N 0 0 431.923 4.654 50 0 IJAARN O=C1Nc2c(cccc2Cl)[C@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032069664 569459101 /nfs/dbraw/zinc/45/91/01/569459101.db2.gz BIPGBHRYEPIXRE-IBGZPJMESA-N 0 0 432.789 4.774 50 0 IJAARN O=C1Nc2ccc(Cl)cc2[C@@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032072070 569459224 /nfs/dbraw/zinc/45/92/24/569459224.db2.gz PUZCHINMKOZNHG-LJQANCHMSA-N 0 0 432.789 4.774 50 0 IJAARN CCCN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032092450 569459668 /nfs/dbraw/zinc/45/96/68/569459668.db2.gz GOOIUAYJILXKIO-QHCPKHFHSA-N 0 0 429.505 4.516 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCC(C)C ZINC000032095718 569459846 /nfs/dbraw/zinc/45/98/46/569459846.db2.gz FRBLSJWHFDEGLX-OAHLLOKOSA-N 0 0 441.919 4.791 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OC(C)C ZINC000032096986 569459879 /nfs/dbraw/zinc/45/98/79/569459879.db2.gz WKTDZWAGUGUDCO-AWEZNQCLSA-N 0 0 427.892 4.544 50 0 IJAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004183527 569460757 /nfs/dbraw/zinc/46/07/57/569460757.db2.gz BGCQKLUVADWQHS-HXUWFJFHSA-N 0 0 425.550 4.694 50 0 IJAARN C[C@@H]1CCCN(C(=O)/C(=C\c2cccc(F)c2)NC(=O)c2ccccc2Br)C1 ZINC000038204956 569462395 /nfs/dbraw/zinc/46/23/95/569462395.db2.gz NZXDZMSEFOTWRW-OOWUWCJESA-N 0 0 445.332 4.618 50 0 IJAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000038488167 569462971 /nfs/dbraw/zinc/46/29/71/569462971.db2.gz XMVPPWSUAFJCOD-UHFFFAOYSA-N 0 0 446.601 4.892 50 0 IJAARN CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000038546149 569463410 /nfs/dbraw/zinc/46/34/10/569463410.db2.gz XQDJAOXVISLGDO-NRFANRHFSA-N 0 0 426.538 4.722 50 0 IJAARN O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NCCOc1ccc(F)cc1 ZINC000038581046 569464119 /nfs/dbraw/zinc/46/41/19/569464119.db2.gz BNXGSVJWDUBFAU-UHFFFAOYSA-N 0 0 436.961 4.966 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)Nc1ccc(Cl)cc1 ZINC000008435650 569464342 /nfs/dbraw/zinc/46/43/42/569464342.db2.gz CQMRXNULWZNTSJ-UHFFFAOYSA-N 0 0 449.967 4.967 50 0 IJAARN C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2N1 ZINC000067197419 569464411 /nfs/dbraw/zinc/46/44/11/569464411.db2.gz NXPPIUCXYHIVBE-CLAHSXSESA-N 0 0 436.217 4.537 50 0 IJAARN Cc1ccc(CNC(=O)c2cccc(-n3ccnc3SCC(=O)c3ccccc3)c2)o1 ZINC000067206619 569464637 /nfs/dbraw/zinc/46/46/37/569464637.db2.gz YECDOVKGFFCIAB-UHFFFAOYSA-N 0 0 431.517 4.679 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000067216924 569464946 /nfs/dbraw/zinc/46/49/46/569464946.db2.gz FIKCTVGUEMNISF-HOTGVXAUSA-N 0 0 441.622 4.661 50 0 IJAARN COc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1OC ZINC000038652208 569465761 /nfs/dbraw/zinc/46/57/61/569465761.db2.gz RMFQXPYTHXLAHC-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN COc1cccc(CNC(=O)c2sc(-c3nnn(-c4ccc(C)c(C)c4)c3C)nc2C)c1 ZINC000038654785 569465774 /nfs/dbraw/zinc/46/57/74/569465774.db2.gz LTHMSCMQTZSVBT-UHFFFAOYSA-N 0 0 447.564 4.563 50 0 IJAARN CN(c1ccsc1C(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245617 569465886 /nfs/dbraw/zinc/46/58/86/569465886.db2.gz QTBYJJSRBGNCDC-UHFFFAOYSA-N 0 0 446.981 4.968 50 0 IJAARN CN(c1ccsc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245620 569465970 /nfs/dbraw/zinc/46/59/70/569465970.db2.gz KHUJEOZDIFBQRI-UHFFFAOYSA-N 0 0 442.896 4.757 50 0 IJAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000067246304 569466004 /nfs/dbraw/zinc/46/60/04/569466004.db2.gz FYQDELODMQRZBO-UHFFFAOYSA-N 0 0 430.430 4.570 50 0 IJAARN CN1c2ccc(Cl)cc2-c2nc(SCc3ccccc3Cl)ncc2S1(=O)=O ZINC000067260117 569466294 /nfs/dbraw/zinc/46/62/94/569466294.db2.gz XAFCWGWMYYQVNS-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(C(C)C)cc4)ccn3n2)cc1C ZINC000067260849 569466418 /nfs/dbraw/zinc/46/64/18/569466418.db2.gz FBQJHVPTEWMCNA-UHFFFAOYSA-N 0 0 442.563 4.610 50 0 IJAARN O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CC=C(c2ccccc2)CC1 ZINC000067262862 569466718 /nfs/dbraw/zinc/46/67/18/569466718.db2.gz YZRLFBCUXXEDPY-UHFFFAOYSA-N 0 0 441.922 4.912 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Br)cc1)N1CCCC1 ZINC000067288252 569467400 /nfs/dbraw/zinc/46/74/00/569467400.db2.gz YBGLUESVXUQKIK-UHFFFAOYSA-N 0 0 428.305 4.985 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)c1 ZINC000067288152 569467410 /nfs/dbraw/zinc/46/74/10/569467410.db2.gz XJWZNMQIFTUZRW-UHFFFAOYSA-N 0 0 446.570 4.943 50 0 IJAARN CCCOc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288340 569467442 /nfs/dbraw/zinc/46/74/42/569467442.db2.gz XGEXXBZKZZGGIM-UHFFFAOYSA-N 0 0 439.943 4.762 50 0 IJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(Br)c1 ZINC000067290164 569467572 /nfs/dbraw/zinc/46/75/72/569467572.db2.gz IJPUUHSSUHIWNW-UHFFFAOYSA-N 0 0 445.367 4.951 50 0 IJAARN CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)n2C)n1 ZINC000067299917 569468135 /nfs/dbraw/zinc/46/81/35/569468135.db2.gz MQDUNNZNZBKRQP-UHFFFAOYSA-N 0 0 442.850 4.600 50 0 IJAARN CC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc2ccccc21 ZINC000008565676 569469153 /nfs/dbraw/zinc/46/91/53/569469153.db2.gz WOJSKVCVIGUWNI-LVWGJNHUSA-N 0 0 435.277 4.857 50 0 IJAARN CCOC(=O)C(C(=O)Nc1ccc(Cl)cc1Cl)=C1NC(C)(C)Cc2ccccc21 ZINC000008687082 569470033 /nfs/dbraw/zinc/47/00/33/569470033.db2.gz QUCLDYXMUZHWNE-VHEBQXMUSA-N 0 0 433.335 4.831 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccc(F)cc1 ZINC000008710712 569470919 /nfs/dbraw/zinc/47/09/19/569470919.db2.gz IBGJJICYNJMZSN-SJORKVTESA-N 0 0 443.478 4.859 50 0 IJAARN Cc1sc2[nH]c([C@@H](C)Sc3nc4ccccc4c(=O)n3C(C)C)nc(=O)c2c1C ZINC000008719688 569471465 /nfs/dbraw/zinc/47/14/65/569471465.db2.gz DQDHSGNXCJNNFJ-CYBMUJFWSA-N 0 0 426.567 4.746 50 0 IJAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000008721835 569471759 /nfs/dbraw/zinc/47/17/59/569471759.db2.gz SHWBBULMKCDFKO-UHFFFAOYSA-N 0 0 449.359 4.823 50 0 IJAARN Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCC[C@@H]3C(N)=O)c2c1C ZINC000008727559 569472361 /nfs/dbraw/zinc/47/23/61/569472361.db2.gz BAQIKVVRRXYXDO-OAHLLOKOSA-N 0 0 433.002 4.708 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000008734677 569472616 /nfs/dbraw/zinc/47/26/16/569472616.db2.gz IZVOYJKBNJXHHB-UHFFFAOYSA-N 0 0 430.247 4.622 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000008747419 569473095 /nfs/dbraw/zinc/47/30/95/569473095.db2.gz WJYGFARABIUWFN-UHFFFAOYSA-N 0 0 428.945 4.846 50 0 IJAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 ZINC000008749316 569473256 /nfs/dbraw/zinc/47/32/56/569473256.db2.gz KMRZIALJJWHFLF-GHTZIAJQSA-N 0 0 435.597 4.542 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000008749809 569473303 /nfs/dbraw/zinc/47/33/03/569473303.db2.gz UFNLRCJYNNRYJH-QZTJIDSGSA-N 0 0 433.479 4.788 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000008752209 569473504 /nfs/dbraw/zinc/47/35/04/569473504.db2.gz MPYZVMVAGZJJIT-IBGZPJMESA-N 0 0 427.504 4.644 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008753165 569473702 /nfs/dbraw/zinc/47/37/02/569473702.db2.gz YPVVFBBOGMLRPN-GOSISDBHSA-N 0 0 445.494 4.784 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000008753270 569473709 /nfs/dbraw/zinc/47/37/09/569473709.db2.gz MRMGBHGGBGJMTM-NRFANRHFSA-N 0 0 441.531 4.640 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000008755452 569473971 /nfs/dbraw/zinc/47/39/71/569473971.db2.gz QKNCIHQRJDQLQR-UHFFFAOYSA-N 0 0 431.517 4.586 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(-c3nc(C)cs3)cc2)c1 ZINC000008755924 569474020 /nfs/dbraw/zinc/47/40/20/569474020.db2.gz RFPNGKXBZMFZBC-NRFANRHFSA-N 0 0 438.549 4.878 50 0 IJAARN COc1ccc(NC(=O)c2sc3ccccc3c2C)cc1S(=O)(=O)N1CCCCC1 ZINC000008769983 569475102 /nfs/dbraw/zinc/47/51/02/569475102.db2.gz AOEHIYAPKWUNFT-UHFFFAOYSA-N 0 0 444.578 4.645 50 0 IJAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@H]32)C(=O)O1 ZINC000008773647 569475270 /nfs/dbraw/zinc/47/52/70/569475270.db2.gz GGWQNCHYUDPHSC-UWJYYQICSA-N 0 0 439.939 4.546 50 0 IJAARN COc1ccc(N(Cc2ccccc2)C(=O)COc2cc(-c3ccccc3)nn2C)cc1 ZINC000008782040 569475770 /nfs/dbraw/zinc/47/57/70/569475770.db2.gz GOAHTUUVZARNKJ-UHFFFAOYSA-N 0 0 427.504 4.708 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000008811505 569476559 /nfs/dbraw/zinc/47/65/59/569476559.db2.gz AZFLLKGQPCEELE-UHFFFAOYSA-N 0 0 440.565 4.520 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)Nc1cccc(Cl)c1 ZINC000008823260 569477107 /nfs/dbraw/zinc/47/71/07/569477107.db2.gz IJYNQFDTXNBNDB-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccco3)nn12 ZINC000008834032 569477910 /nfs/dbraw/zinc/47/79/10/569477910.db2.gz BOJUIDWAZXCTHY-SXGWCWSVSA-N 0 0 430.272 4.526 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840961 569478425 /nfs/dbraw/zinc/47/84/25/569478425.db2.gz KTIGDSCAAVAAAE-UHFFFAOYSA-N 0 0 430.570 4.520 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000008843528 569478462 /nfs/dbraw/zinc/47/84/62/569478462.db2.gz RHCIPNYFERVAJL-IBGZPJMESA-N 0 0 427.430 4.841 50 0 IJAARN COCCNc1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000008850745 569479357 /nfs/dbraw/zinc/47/93/57/569479357.db2.gz AKYXPNZVOLFDNF-ZETCQYMHSA-N 0 0 441.793 4.676 50 0 IJAARN C[C@H](NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000008852373 569479472 /nfs/dbraw/zinc/47/94/72/569479472.db2.gz NARNCKUTNUAERG-AWEZNQCLSA-N 0 0 445.997 4.947 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 ZINC000008852949 569479509 /nfs/dbraw/zinc/47/95/09/569479509.db2.gz ZPNFMRFSJFGHOQ-UHFFFAOYSA-N 0 0 425.579 4.980 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC)cc2)cc1OCCC ZINC000008869137 569480416 /nfs/dbraw/zinc/48/04/16/569480416.db2.gz MTJZEORKSMUINO-UHFFFAOYSA-N 0 0 425.485 4.965 50 0 IJAARN CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)OCC ZINC000008870350 569480512 /nfs/dbraw/zinc/48/05/12/569480512.db2.gz HNFYGDLTYADSOU-UHFFFAOYSA-N 0 0 431.510 4.680 50 0 IJAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C(=O)CCC3 ZINC000008870376 569480618 /nfs/dbraw/zinc/48/06/18/569480618.db2.gz JVWFXXKIEHHJLT-UHFFFAOYSA-N 0 0 446.484 4.780 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc3nccnc3c2)cc1 ZINC000039563654 569481785 /nfs/dbraw/zinc/48/17/85/569481785.db2.gz PNKFTGUAYFEAIA-OAQYLSRUSA-N 0 0 434.546 4.540 50 0 IJAARN C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000068885878 569482442 /nfs/dbraw/zinc/48/24/42/569482442.db2.gz QPOGQVJEZOHQLZ-NSHDSACASA-N 0 0 425.790 4.721 50 0 IJAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCCOc1ccc(Cl)cc1 ZINC000040012231 569482485 /nfs/dbraw/zinc/48/24/85/569482485.db2.gz YMJAKLMXYRMWAS-UHFFFAOYSA-N 0 0 437.348 4.767 50 0 IJAARN O=C(NCCCc1nc2ccccc2s1)c1nccnc1-c1nc2ccccc2s1 ZINC000040015934 569482543 /nfs/dbraw/zinc/48/25/43/569482543.db2.gz NYJHPJAIPFJDBZ-UHFFFAOYSA-N 0 0 431.546 4.726 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(SCc3cccnc3)cc2)CC1 ZINC000040023332 569482668 /nfs/dbraw/zinc/48/26/68/569482668.db2.gz HPXATAXNCPWCNJ-UHFFFAOYSA-N 0 0 427.570 4.960 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008893373 569483595 /nfs/dbraw/zinc/48/35/95/569483595.db2.gz RGAGZEQQEPWKRY-SJORKVTESA-N 0 0 433.577 4.970 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c12 ZINC000040043334 569483627 /nfs/dbraw/zinc/48/36/27/569483627.db2.gz BXIWCLVGTQNJSE-FQEVSTJZSA-N 0 0 434.540 4.539 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000008898918 569484017 /nfs/dbraw/zinc/48/40/17/569484017.db2.gz YQSIHANKEHDTDD-UHFFFAOYSA-N 0 0 430.533 4.517 50 0 IJAARN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000040051002 569484328 /nfs/dbraw/zinc/48/43/28/569484328.db2.gz HFGFFLVNARPKFW-FUHWJXTLSA-N 0 0 439.606 4.759 50 0 IJAARN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000040050999 569484352 /nfs/dbraw/zinc/48/43/52/569484352.db2.gz HFGFFLVNARPKFW-AEFFLSMTSA-N 0 0 439.606 4.759 50 0 IJAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000040057672 569484589 /nfs/dbraw/zinc/48/45/89/569484589.db2.gz AXLQNVBPQQPUEQ-UHFFFAOYSA-N 0 0 425.463 4.863 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)CC1=O ZINC000008915715 569485577 /nfs/dbraw/zinc/48/55/77/569485577.db2.gz NCUQRJNOFKXUDL-GJZGRUSLSA-N 0 0 430.335 4.759 50 0 IJAARN Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2C)o1 ZINC000040073230 569486082 /nfs/dbraw/zinc/48/60/82/569486082.db2.gz FVKGBALSRVRSLN-UHFFFAOYSA-N 0 0 439.928 4.923 50 0 IJAARN COc1ccc(OC)c(-c2nc(C(=O)NCc3cccnc3)cc3c4ccccc4[nH]c32)c1 ZINC000008918596 569486349 /nfs/dbraw/zinc/48/63/49/569486349.db2.gz RYXQEXHPFDAFPX-UHFFFAOYSA-N 0 0 438.487 4.725 50 0 biogenic IJAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000008926992 569487313 /nfs/dbraw/zinc/48/73/13/569487313.db2.gz PAIBDTSJQSBQLA-NWDGAFQWSA-N 0 0 435.471 4.801 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000040103987 569488117 /nfs/dbraw/zinc/48/81/17/569488117.db2.gz FAVFBSSGVHUIEZ-UHFFFAOYSA-N 0 0 428.492 4.793 50 0 IJAARN COc1cc(NC(=O)CCSc2ccccc2Br)cc(OC)c1OC ZINC000040106482 569488416 /nfs/dbraw/zinc/48/84/16/569488416.db2.gz ZSMWSJFVKKHHPC-UHFFFAOYSA-N 0 0 426.332 4.596 50 0 IJAARN COC(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000040123060 569489674 /nfs/dbraw/zinc/48/96/74/569489674.db2.gz UKMHKYGQWSEWRQ-QGZVFWFLSA-N 0 0 446.507 4.678 50 0 IJAARN CSc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000040133767 569490460 /nfs/dbraw/zinc/49/04/60/569490460.db2.gz CZEPHZPICOTWHU-QGZVFWFLSA-N 0 0 425.575 4.873 50 0 IJAARN O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1SCc1cscn1 ZINC000040135122 569490620 /nfs/dbraw/zinc/49/06/20/569490620.db2.gz XRPYEMBSRCMTSJ-UHFFFAOYSA-N 0 0 433.558 4.898 50 0 IJAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2)c(C)c1Cl ZINC000040134893 569490622 /nfs/dbraw/zinc/49/06/22/569490622.db2.gz HSLNFBHHPIYUAR-UHFFFAOYSA-N 0 0 435.915 4.707 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2C1=O ZINC000008961118 569490928 /nfs/dbraw/zinc/49/09/28/569490928.db2.gz XJDSRRFJCHHIST-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)c2sc(-c3ncccn3)nc2C)cc1OCCC ZINC000040150352 569493187 /nfs/dbraw/zinc/49/31/87/569493187.db2.gz INIXOEFNENUEJR-OAHLLOKOSA-N 0 0 440.569 4.977 50 0 IJAARN COc1cccc(NC(=O)CN(CC(=O)Nc2cc(Cl)ccc2F)c2ccccc2)c1 ZINC000040158303 569494548 /nfs/dbraw/zinc/49/45/48/569494548.db2.gz JCHGLQSDWDDUMD-UHFFFAOYSA-N 0 0 441.890 4.572 50 0 IJAARN Cc1ccc(-c2nc(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n[nH]2)s1 ZINC000040158559 569494555 /nfs/dbraw/zinc/49/45/55/569494555.db2.gz OHYYUCAGXTVZQY-UHFFFAOYSA-N 0 0 431.930 4.783 50 0 IJAARN O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)cc1 ZINC000008984513 569494743 /nfs/dbraw/zinc/49/47/43/569494743.db2.gz IYOVUJHBIDRBKG-UHFFFAOYSA-N 0 0 442.331 4.854 50 0 IJAARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)c(OC)c1 ZINC000008990715 569495089 /nfs/dbraw/zinc/49/50/89/569495089.db2.gz OZLDXTABEKRJQO-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 biogenic IJAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)c1ccccc1 ZINC000008991080 569495272 /nfs/dbraw/zinc/49/52/72/569495272.db2.gz FIRAGNBOXOEZBM-HXUWFJFHSA-N 0 0 428.532 4.865 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1cccnc1 ZINC000008995844 569495681 /nfs/dbraw/zinc/49/56/81/569495681.db2.gz YUZVPGIAPCPJED-HXUWFJFHSA-N 0 0 447.288 4.696 50 0 IJAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5ccccc5c4)c(=O)c23)cc1 ZINC000009040928 569497609 /nfs/dbraw/zinc/49/76/09/569497609.db2.gz PZGWLESXCNGKOV-UHFFFAOYSA-N 0 0 441.512 4.926 50 0 IJAARN Cc1oc2cc(OCC(=O)N[C@H](C)CCc3ccco3)ccc2c(=O)c1-c1ccccc1 ZINC000009048662 569498526 /nfs/dbraw/zinc/49/85/26/569498526.db2.gz XVUGDEGVFKPJJG-QGZVFWFLSA-N 0 0 431.488 4.878 50 0 biogenic IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 ZINC000009056248 569498995 /nfs/dbraw/zinc/49/89/95/569498995.db2.gz IPYBIOSSFYKNGA-LJQANCHMSA-N 0 0 443.956 4.761 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000009056452 569499030 /nfs/dbraw/zinc/49/90/30/569499030.db2.gz ZVCLWQKZGYBGDM-UHFFFAOYSA-N 0 0 437.517 4.724 50 0 IJAARN COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N2CCCCCC2)cc1OC ZINC000009075360 569500210 /nfs/dbraw/zinc/50/02/10/569500210.db2.gz USEXEJVEHYSISN-HMMYKYKNSA-N 0 0 442.943 4.531 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccccc2)[C@H]1C ZINC000245240996 569500713 /nfs/dbraw/zinc/50/07/13/569500713.db2.gz WDYKKHJZMBBXJG-BVFWVQIHSA-N 0 0 433.552 4.590 50 0 IJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245276854 569501979 /nfs/dbraw/zinc/50/19/79/569501979.db2.gz XSQUAHPSNSIDIS-UFXZXOMWSA-N 0 0 425.573 4.704 50 0 IJAARN COc1ccccc1NC(=O)C1CCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)CC1 ZINC000009117317 569503097 /nfs/dbraw/zinc/50/30/97/569503097.db2.gz XFSLRFAHRMSXGD-UHFFFAOYSA-N 0 0 447.564 4.630 50 0 IJAARN Nc1c(Cl)ncnc1O[C@H]1CC(c2ccc(F)cc2F)=NN1c1ccccc1Cl ZINC000040428129 569503190 /nfs/dbraw/zinc/50/31/90/569503190.db2.gz OKJFRBZPKLNVET-INIZCTEOSA-N 0 0 436.249 4.663 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(F)cc1F ZINC000009118325 569503311 /nfs/dbraw/zinc/50/33/11/569503311.db2.gz CWBFXWPAXVKRLD-UHFFFAOYSA-N 0 0 443.519 4.663 50 0 IJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)Nc3cccc(F)c3)c3ccccc32)CC1 ZINC000009118482 569503373 /nfs/dbraw/zinc/50/33/73/569503373.db2.gz IIGSWMNCKSNRCK-UHFFFAOYSA-N 0 0 439.556 4.770 50 0 IJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000009119001 569503480 /nfs/dbraw/zinc/50/34/80/569503480.db2.gz WIDZPJUXGMOXFE-UHFFFAOYSA-N 0 0 433.600 4.820 50 0 IJAARN C[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC1CCCCC1 ZINC000009119833 569503644 /nfs/dbraw/zinc/50/36/44/569503644.db2.gz KTCWGRWISMGWCF-AWEZNQCLSA-N 0 0 427.595 4.829 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)s3)o2)c1 ZINC000009120412 569503891 /nfs/dbraw/zinc/50/38/91/569503891.db2.gz RVSUVBYAEJQOSW-UHFFFAOYSA-N 0 0 425.329 4.756 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000245342988 569504336 /nfs/dbraw/zinc/50/43/36/569504336.db2.gz AWJCTTYJUCZIFN-WHSLLNHNSA-N 0 0 448.560 4.580 50 0 IJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009126069 569504786 /nfs/dbraw/zinc/50/47/86/569504786.db2.gz OSHKEBXMIFIOBD-UHFFFAOYSA-N 0 0 445.306 4.534 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccs3)n2Cc2ccco2)c1 ZINC000009126349 569504942 /nfs/dbraw/zinc/50/49/42/569504942.db2.gz KQUBOETZWLPSCE-INIZCTEOSA-N 0 0 438.578 4.926 50 0 IJAARN NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000009126708 569504983 /nfs/dbraw/zinc/50/49/83/569504983.db2.gz YPZYYAKXKJUPDN-UHFFFAOYSA-N 0 0 428.517 4.573 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1)C1CCCC1 ZINC000009127424 569505133 /nfs/dbraw/zinc/50/51/33/569505133.db2.gz ILIOUFDIEALSHW-UHFFFAOYSA-N 0 0 428.554 4.782 50 0 IJAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000009130704 569506149 /nfs/dbraw/zinc/50/61/49/569506149.db2.gz UREYJXOSZLIMEX-QHCPKHFHSA-N 0 0 435.524 4.932 50 0 IJAARN Cc1ccc2c(c1)N(CC(=O)N1CCC(Cc3ccccc3)CC1)C(=O)c1cccnc1O2 ZINC000009151482 569507512 /nfs/dbraw/zinc/50/75/12/569507512.db2.gz BPSCPAOLCKCHGP-UHFFFAOYSA-N 0 0 441.531 4.624 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1ccccc1Cl)n2C ZINC000009153617 569508118 /nfs/dbraw/zinc/50/81/18/569508118.db2.gz QFNAPGXSLYPEKO-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1Cc1ccccc1C)n2C ZINC000009153601 569508157 /nfs/dbraw/zinc/50/81/57/569508157.db2.gz FPQSJLXKVFLIFI-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1Cc1ccc(Cl)cc1)n2C ZINC000009153579 569508164 /nfs/dbraw/zinc/50/81/64/569508164.db2.gz QAJAQYBJPBVTPC-UHFFFAOYSA-N 0 0 443.934 4.963 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(c4cc(C)ccc4n3C)n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000009153571 569508167 /nfs/dbraw/zinc/50/81/67/569508167.db2.gz IPPYPMHAOFKQQX-UHFFFAOYSA-N 0 0 437.543 4.926 50 0 IJAARN CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000009155840 569508323 /nfs/dbraw/zinc/50/83/23/569508323.db2.gz PUORSTWFSIQIMC-RUZDIDTESA-N 0 0 444.531 4.971 50 0 IJAARN COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4Cl)nc3C2)cc1 ZINC000009158436 569508533 /nfs/dbraw/zinc/50/85/33/569508533.db2.gz MFEYXTPACAHFOG-CYBMUJFWSA-N 0 0 442.302 4.957 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(C)C)no3)n2Cc2ccco2)c1 ZINC000009167888 569509079 /nfs/dbraw/zinc/50/90/79/569509079.db2.gz FSMUMOGGHSLSNJ-UHFFFAOYSA-N 0 0 437.525 4.737 50 0 IJAARN CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OCC ZINC000009168790 569509169 /nfs/dbraw/zinc/50/91/69/569509169.db2.gz YYDDWDQFTDKEPP-UHFFFAOYSA-N 0 0 426.494 4.631 50 0 IJAARN Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169635 569509220 /nfs/dbraw/zinc/50/92/20/569509220.db2.gz ADIGTDLSSQABCD-UHFFFAOYSA-N 0 0 444.597 4.735 50 0 IJAARN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 ZINC000009192315 569510768 /nfs/dbraw/zinc/51/07/68/569510768.db2.gz KRKLLJNTTTUIAN-QHCPKHFHSA-N 0 0 436.471 4.715 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009197949 569511056 /nfs/dbraw/zinc/51/10/56/569511056.db2.gz FPQNFHPMKJNBHB-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccco3)cc2)nc1C[S@](=O)c1ccc(C)cc1 ZINC000009212054 569511990 /nfs/dbraw/zinc/51/19/90/569511990.db2.gz NFWGZKCMHNGYJE-WJOKGBTCSA-N 0 0 434.517 4.789 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009217010 569512276 /nfs/dbraw/zinc/51/22/76/569512276.db2.gz PKPOLYDOQAALKZ-UHFFFAOYSA-N 0 0 435.911 4.633 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 ZINC000009218076 569512378 /nfs/dbraw/zinc/51/23/78/569512378.db2.gz VKEZAMPQFMZIOO-OFVILXPXSA-N 0 0 430.552 4.602 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009219705 569512478 /nfs/dbraw/zinc/51/24/78/569512478.db2.gz GECGZWLXVVRTGE-KRWDZBQOSA-N 0 0 445.441 4.580 50 0 IJAARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000009219528 569512492 /nfs/dbraw/zinc/51/24/92/569512492.db2.gz VDDVTXWUBCIOSK-UHFFFAOYSA-N 0 0 444.560 4.873 50 0 IJAARN CCc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)NCCCOC)c32)cc1 ZINC000009228163 569513537 /nfs/dbraw/zinc/51/35/37/569513537.db2.gz YNGPWATUKMNPJF-UHFFFAOYSA-N 0 0 428.536 4.929 50 0 IJAARN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1O ZINC000009233338 569513819 /nfs/dbraw/zinc/51/38/19/569513819.db2.gz PYGFDKYFPWYEJL-LZYBPNLTSA-N 0 0 440.304 4.953 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(Cl)cc1 ZINC000009237010 569514181 /nfs/dbraw/zinc/51/41/81/569514181.db2.gz FUDKXAZTKXHHRO-UXHICEINSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009237362 569514205 /nfs/dbraw/zinc/51/42/05/569514205.db2.gz MLTRMKOEBCDBKM-FQEVSTJZSA-N 0 0 447.458 4.559 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1C ZINC000009236935 569514212 /nfs/dbraw/zinc/51/42/12/569514212.db2.gz FCSSPDVBPSPABL-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238268 569514244 /nfs/dbraw/zinc/51/42/44/569514244.db2.gz UKKPKDMXECBKFZ-UXHICEINSA-N 0 0 447.951 4.996 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239567 569514569 /nfs/dbraw/zinc/51/45/69/569514569.db2.gz WWWPBXUYFAKFAA-MSOLQXFVSA-N 0 0 447.486 4.647 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(CCCO)C3=O)c1 ZINC000009243680 569514942 /nfs/dbraw/zinc/51/49/42/569514942.db2.gz DDRPTZCNWSVOGG-HXUWFJFHSA-N 0 0 446.334 4.634 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000009244833 569515169 /nfs/dbraw/zinc/51/51/69/569515169.db2.gz RPOWSGPUKADQTG-UHFFFAOYSA-N 0 0 447.578 4.515 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000009246297 569515423 /nfs/dbraw/zinc/51/54/23/569515423.db2.gz NOVFVZCZDNAECV-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OC(C)C)cc1 ZINC000009249858 569515539 /nfs/dbraw/zinc/51/55/39/569515539.db2.gz DRBCHLFQMWSXGA-HXUWFJFHSA-N 0 0 449.576 4.642 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 ZINC000009250073 569515666 /nfs/dbraw/zinc/51/56/66/569515666.db2.gz FGPMPFPCWDXNQU-UHFFFAOYSA-N 0 0 449.576 4.676 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nc2sc(Nc4ccccc4C)nn2c3=O)cc1 ZINC000009274387 569518178 /nfs/dbraw/zinc/51/81/78/569518178.db2.gz ARNLKAXFGCXYGD-UHFFFAOYSA-N 0 0 441.516 4.917 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)nc1sc(Nc3cccc(Cl)c3C)nn1c2=O ZINC000009274576 569518183 /nfs/dbraw/zinc/51/81/83/569518183.db2.gz OSCFCRIHAKRRRZ-NSHDSACASA-N 0 0 441.944 4.538 50 0 IJAARN CCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nnc1-c1cccs1 ZINC000009282905 569518797 /nfs/dbraw/zinc/51/87/97/569518797.db2.gz BLJVMPPIBHSAKB-UHFFFAOYSA-N 0 0 428.370 4.768 50 0 IJAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000009283740 569518904 /nfs/dbraw/zinc/51/89/04/569518904.db2.gz KNKLVXOEIHGXRG-UHFFFAOYSA-N 0 0 436.961 4.554 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccncc2)cc1 ZINC000009283537 569518927 /nfs/dbraw/zinc/51/89/27/569518927.db2.gz XQVJQQFZLBNLFX-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN Cn1cnnc1S[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000009284715 569519122 /nfs/dbraw/zinc/51/91/22/569519122.db2.gz KQZQSZWDGSGSIE-HNNXBMFYSA-N 0 0 426.851 4.959 50 0 IJAARN COc1ccccc1/C=C/C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C)cc1 ZINC000009288853 569519411 /nfs/dbraw/zinc/51/94/11/569519411.db2.gz MOAYAWTVRKIKCL-BUHFOSPRSA-N 0 0 425.492 4.623 50 0 IJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 ZINC000009290612 569519724 /nfs/dbraw/zinc/51/97/24/569519724.db2.gz GQIXULRPFYRFST-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000009291859 569519870 /nfs/dbraw/zinc/51/98/70/569519870.db2.gz FDYFVRRXFIMSNS-RTBURBONSA-N 0 0 449.898 4.932 50 0 IJAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000009291804 569519898 /nfs/dbraw/zinc/51/98/98/569519898.db2.gz CGYKTUGPPZQFTA-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009292013 569519946 /nfs/dbraw/zinc/51/99/46/569519946.db2.gz VOJIKKIHFNFQCI-PKTZIBPZSA-N 0 0 427.895 4.848 50 0 IJAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000009293498 569520251 /nfs/dbraw/zinc/52/02/51/569520251.db2.gz OOAADACSUPZIMW-YADHBBJMSA-N 0 0 431.858 4.678 50 0 IJAARN CN1c2ccc(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)cc2C(C)(C)C1=O ZINC000009300538 569520609 /nfs/dbraw/zinc/52/06/09/569520609.db2.gz UMBYEIMGAPRBKB-UHFFFAOYSA-N 0 0 432.611 4.526 50 0 IJAARN CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000009300572 569520631 /nfs/dbraw/zinc/52/06/31/569520631.db2.gz JQXITLAJDKAKPG-GOSISDBHSA-N 0 0 433.455 4.869 50 0 IJAARN COc1ccc2nc(Sc3ccc(Cl)cc3)c(C=C3NC(=S)NC3=O)cc2c1 ZINC000009313211 569521938 /nfs/dbraw/zinc/52/19/38/569521938.db2.gz WQPXZRZSZKJKBE-YVLHZVERSA-N 0 0 427.938 4.805 50 0 IJAARN CC(C)c1noc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 ZINC000069877246 569522536 /nfs/dbraw/zinc/52/25/36/569522536.db2.gz ZXMCTXVACPEDRA-NRFANRHFSA-N 0 0 425.577 4.882 50 0 IJAARN COc1ccc(NC(=O)c2nnn(Cc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1 ZINC000009319715 569522543 /nfs/dbraw/zinc/52/25/43/569522543.db2.gz JSIRYWWKCLFWKK-UHFFFAOYSA-N 0 0 437.887 4.513 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000009336057 569523371 /nfs/dbraw/zinc/52/33/71/569523371.db2.gz IWCNTWIERDURKS-UHFFFAOYSA-N 0 0 427.485 4.909 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC ZINC000009347724 569524355 /nfs/dbraw/zinc/52/43/55/569524355.db2.gz MJTVFPRTIJAPFI-DEOSSOPVSA-N 0 0 441.483 4.864 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCCO1)occ3-c1ccc(F)cc1 ZINC000009348077 569524377 /nfs/dbraw/zinc/52/43/77/569524377.db2.gz PEEYTHZMWYYIOR-GOSISDBHSA-N 0 0 449.478 4.882 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000009348784 569524543 /nfs/dbraw/zinc/52/45/43/569524543.db2.gz KSZBMXRURBDOQR-GEBKJHSDSA-N 0 0 441.940 4.525 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)c(C)c1 ZINC000009349141 569524677 /nfs/dbraw/zinc/52/46/77/569524677.db2.gz ODGZAUZXJGFEFY-UHFFFAOYSA-N 0 0 437.565 4.731 50 0 IJAARN COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000009361272 569525912 /nfs/dbraw/zinc/52/59/12/569525912.db2.gz LIUJHIKSAVSUFP-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000009365344 569526097 /nfs/dbraw/zinc/52/60/97/569526097.db2.gz IXWOJWQQKLUHLW-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1 ZINC000009365863 569526177 /nfs/dbraw/zinc/52/61/77/569526177.db2.gz KHTGVARROZFOLL-UHFFFAOYSA-N 0 0 444.557 4.958 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccc(C)c(C)c3)s2)c1 ZINC000009365429 569526184 /nfs/dbraw/zinc/52/61/84/569526184.db2.gz VPIRQFXEEFDLJU-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)sc2c1 ZINC000009367297 569526387 /nfs/dbraw/zinc/52/63/87/569526387.db2.gz PKBRYPVALZKAEQ-HZPDHXFCSA-N 0 0 443.594 4.524 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000009372972 569526970 /nfs/dbraw/zinc/52/69/70/569526970.db2.gz PCPKEVRUZMKUNV-INIZCTEOSA-N 0 0 441.356 4.573 50 0 IJAARN COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2OC)c1 ZINC000009374593 569527096 /nfs/dbraw/zinc/52/70/96/569527096.db2.gz YLQGURXYUCWDCY-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN COc1ccc(C)c2sc(N3CCN(c4nc5c(s4)c(C)ccc5OC)CC3)nc21 ZINC000009381990 569528150 /nfs/dbraw/zinc/52/81/50/569528150.db2.gz CDUQCAWONRTKDJ-UHFFFAOYSA-N 0 0 440.594 4.867 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000009391014 569528842 /nfs/dbraw/zinc/52/88/42/569528842.db2.gz RCSUYTUPYKYVEP-RUDMXATFSA-N 0 0 431.901 4.536 50 0 IJAARN COc1cc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2C)cc(OC)c1OC ZINC000009391176 569528894 /nfs/dbraw/zinc/52/88/94/569528894.db2.gz DBNZEWUGECIVEE-QFIPXVFZSA-N 0 0 437.565 4.624 50 0 IJAARN Cc1ccc(C(=O)NCCn2cc(SCC(=O)NC3CCCC3)c3ccccc32)cc1 ZINC000009394851 569529162 /nfs/dbraw/zinc/52/91/62/569529162.db2.gz AHLYLRGQZFLZNY-UHFFFAOYSA-N 0 0 435.593 4.531 50 0 IJAARN CCOc1ccccc1OCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000009396779 569529180 /nfs/dbraw/zinc/52/91/80/569529180.db2.gz HMHPSJUSFACCSX-UHFFFAOYSA-N 0 0 425.510 4.575 50 0 IJAARN CC(C)Cn1c(=O)c2ccccc2nc1SCc1cn2cc(Br)ccc2n1 ZINC000009403788 569529524 /nfs/dbraw/zinc/52/95/24/569529524.db2.gz IBXIDUOAMSJVDQ-UHFFFAOYSA-N 0 0 443.370 4.755 50 0 IJAARN CCN(C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1)c1ccc(C)c(C)c1 ZINC000009405524 569529927 /nfs/dbraw/zinc/52/99/27/569529927.db2.gz ZWZHHQACJCIQKV-UHFFFAOYSA-N 0 0 434.540 4.632 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccc4c(c3)OCCO4)c(C)c12 ZINC000009407805 569530337 /nfs/dbraw/zinc/53/03/37/569530337.db2.gz URLKJTAICRTERX-UHFFFAOYSA-N 0 0 442.519 4.688 50 0 IJAARN O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009413870 569531862 /nfs/dbraw/zinc/53/18/62/569531862.db2.gz XJZJLUSGXZGWLV-SSEXGKCCSA-N 0 0 439.968 4.739 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 ZINC000009414874 569532082 /nfs/dbraw/zinc/53/20/82/569532082.db2.gz YJMOVIRWSQLCFW-UHFFFAOYSA-N 0 0 439.928 4.574 50 0 IJAARN COc1ccc(Cn2nnnc2S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000009416161 569532292 /nfs/dbraw/zinc/53/22/92/569532292.db2.gz OZPYXPQXPRALQV-QFIPXVFZSA-N 0 0 445.548 4.511 50 0 IJAARN O=S(=O)(c1cccs1)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1F ZINC000009421067 569532739 /nfs/dbraw/zinc/53/27/39/569532739.db2.gz YBEXNRGKGWNRHP-FQEVSTJZSA-N 0 0 441.553 4.811 50 0 IJAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009424327 569533090 /nfs/dbraw/zinc/53/30/90/569533090.db2.gz PBOPWTHDLCBAOX-FQTAANOTSA-N 0 0 446.012 4.867 50 0 IJAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000009427641 569533426 /nfs/dbraw/zinc/53/34/26/569533426.db2.gz IELVTZYXNRDHDM-UHFFFAOYSA-N 0 0 445.610 4.976 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 ZINC000009432618 569534434 /nfs/dbraw/zinc/53/44/34/569534434.db2.gz NUFHUILKUUQIBM-XZOQPEGZSA-N 0 0 434.561 4.876 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccc(F)c(F)c1 ZINC000009442389 569535558 /nfs/dbraw/zinc/53/55/58/569535558.db2.gz BRHBLARHSZLBKM-CYBMUJFWSA-N 0 0 426.444 4.680 50 0 IJAARN Cc1cc2sc(NC(=O)CSc3nnc(-c4ccccc4F)n3C)nc2c(C)c1 ZINC000009464458 569537678 /nfs/dbraw/zinc/53/76/78/569537678.db2.gz MPXQRGWMTKHXRY-UHFFFAOYSA-N 0 0 427.530 4.579 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000009468375 569538595 /nfs/dbraw/zinc/53/85/95/569538595.db2.gz VVHZPIHRAZXPNR-GOSISDBHSA-N 0 0 441.988 4.866 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000009477270 569539151 /nfs/dbraw/zinc/53/91/51/569539151.db2.gz CXBXOEOEHMAOID-FQEVSTJZSA-N 0 0 440.619 4.527 50 0 IJAARN O=C([C@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCCC1 ZINC000009477965 569539267 /nfs/dbraw/zinc/53/92/67/569539267.db2.gz KDYKFPSFQNWAPW-GOSISDBHSA-N 0 0 428.558 4.745 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)c(OC)c1 ZINC000009478102 569539323 /nfs/dbraw/zinc/53/93/23/569539323.db2.gz VMKODOQUUGDSLV-UHFFFAOYSA-N 0 0 443.550 4.517 50 0 IJAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1F ZINC000009480050 569539445 /nfs/dbraw/zinc/53/94/45/569539445.db2.gz SNKZOXAZAJQWAZ-UHFFFAOYSA-N 0 0 425.467 4.801 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009487541 569539792 /nfs/dbraw/zinc/53/97/92/569539792.db2.gz WNNOSLCFRKLNFS-QFIPXVFZSA-N 0 0 430.460 4.855 50 0 IJAARN Cc1ccc(-c2cc(-c3nnc(SCc4c(Cl)cccc4Cl)n3N)n[nH]2)cc1 ZINC000009488518 569539934 /nfs/dbraw/zinc/53/99/34/569539934.db2.gz ARTNYTRBDZXAMQ-UHFFFAOYSA-N 0 0 431.352 4.957 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009488688 569539936 /nfs/dbraw/zinc/53/99/36/569539936.db2.gz LLDXJAWHNLCLID-JOCHJYFZSA-N 0 0 446.459 4.555 50 0 IJAARN COc1cc(-n2c(C)nc3cc(C(=O)NCc4ccc(C)cc4)ccc32)cc(OC)c1OC ZINC000009490408 569540167 /nfs/dbraw/zinc/54/01/67/569540167.db2.gz XFZYWVNJOPJONO-UHFFFAOYSA-N 0 0 445.519 4.598 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000009501139 569541591 /nfs/dbraw/zinc/54/15/91/569541591.db2.gz JEQKONXDFSEFIK-JOCHJYFZSA-N 0 0 443.591 4.776 50 0 IJAARN CCc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2cccc(Br)c2)cc1 ZINC000009503934 569541759 /nfs/dbraw/zinc/54/17/59/569541759.db2.gz QFNPJOHPTWKCEE-UHFFFAOYSA-N 0 0 441.354 4.726 50 0 IJAARN C[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)NC1CCCC1 ZINC000009503786 569541810 /nfs/dbraw/zinc/54/18/10/569541810.db2.gz KUMUBMVIIDGYAL-CQSZACIVSA-N 0 0 445.654 4.991 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCCc1ccc(F)cc1 ZINC000009507246 569541942 /nfs/dbraw/zinc/54/19/42/569541942.db2.gz NJILPVNRUFMGTK-UHFFFAOYSA-N 0 0 432.524 4.524 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)NCC2CCCCC2)n1-c1ccccc1 ZINC000009507920 569542202 /nfs/dbraw/zinc/54/22/02/569542202.db2.gz DMNXLQJAJQYPBD-UHFFFAOYSA-N 0 0 436.581 4.732 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 ZINC000009512418 569543008 /nfs/dbraw/zinc/54/30/08/569543008.db2.gz FJGMBKOCNFGMOI-HXUWFJFHSA-N 0 0 434.521 4.864 50 0 IJAARN Cc1ccc(Nc2nc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)cs2)cc1 ZINC000009513096 569543073 /nfs/dbraw/zinc/54/30/73/569543073.db2.gz SKXHERHCHPVIKB-UHFFFAOYSA-N 0 0 446.623 4.667 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009514619 569543207 /nfs/dbraw/zinc/54/32/07/569543207.db2.gz RNJMXMHFHWZFKU-HSZRJFAPSA-N 0 0 441.535 4.574 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc(Cl)c1 ZINC000009515003 569543288 /nfs/dbraw/zinc/54/32/88/569543288.db2.gz OXABKMMNODJYTQ-OAHLLOKOSA-N 0 0 426.973 4.827 50 0 IJAARN COc1ccc(-c2c(C)c3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3oc2=O)cc1 ZINC000009517245 569543621 /nfs/dbraw/zinc/54/36/21/569543621.db2.gz GYRCKLNNJLOFGQ-UHFFFAOYSA-N 0 0 436.485 4.853 50 0 IJAARN O=C(Cc1cccs1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009518538 569544172 /nfs/dbraw/zinc/54/41/72/569544172.db2.gz ZGPKKVAXQLCZKK-UHFFFAOYSA-N 0 0 434.473 4.699 50 0 IJAARN CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000009526138 569544479 /nfs/dbraw/zinc/54/44/79/569544479.db2.gz OZCKIDYJPVEGSZ-MHZLTWQESA-N 0 0 437.543 4.917 50 0 IJAARN O=C([O-])c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009531317 569545136 /nfs/dbraw/zinc/54/51/36/569545136.db2.gz GMZDBFYBPYLGSD-UHFFFAOYSA-N 0 0 432.451 4.545 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000009536733 569545586 /nfs/dbraw/zinc/54/55/86/569545586.db2.gz YXDJMHMRYZDYIQ-UHFFFAOYSA-N 0 0 443.532 4.621 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1nc2ccccc2s1 ZINC000009536586 569545632 /nfs/dbraw/zinc/54/56/32/569545632.db2.gz MMBGZVCKFOAUKK-UHFFFAOYSA-N 0 0 448.523 4.758 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC000009540059 569545706 /nfs/dbraw/zinc/54/57/06/569545706.db2.gz HDINZTUWHXVVKW-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009540049 569545716 /nfs/dbraw/zinc/54/57/16/569545716.db2.gz AGYXCUTTYQZSFK-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000009546366 569546262 /nfs/dbraw/zinc/54/62/62/569546262.db2.gz TXHRYCXQHISGDF-RUZDIDTESA-N 0 0 448.950 4.503 50 0 IJAARN COc1ccc([C@@H]2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCCCC2)cc1 ZINC000009546362 569546268 /nfs/dbraw/zinc/54/62/68/569546268.db2.gz OCVZNWVJSGUADG-AREMUKBSSA-N 0 0 434.580 4.763 50 0 IJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000009547170 569546364 /nfs/dbraw/zinc/54/63/64/569546364.db2.gz ZKKZMWRZOCEOSW-QGZVFWFLSA-N 0 0 438.487 4.819 50 0 IJAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cc2ccccc2o1 ZINC000009547222 569546401 /nfs/dbraw/zinc/54/64/01/569546401.db2.gz FDFQQBQVGCSRPB-QGZVFWFLSA-N 0 0 434.517 4.749 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009549285 569546594 /nfs/dbraw/zinc/54/65/94/569546594.db2.gz INUHRWVGJYZLFP-FQEVSTJZSA-N 0 0 449.576 4.620 50 0 IJAARN COC(=O)c1ccc(OC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000009562123 569547210 /nfs/dbraw/zinc/54/72/10/569547210.db2.gz CSQAKSQRGNDQTF-OAQYLSRUSA-N 0 0 437.879 4.593 50 0 IJAARN Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc5cccc6c5c4CC6)cc3)nc2n1 ZINC000009572175 569547736 /nfs/dbraw/zinc/54/77/36/569547736.db2.gz BNYAVZQJESLFEU-UHFFFAOYSA-N 0 0 440.528 4.757 50 0 IJAARN CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c(C)c1 ZINC000009573686 569547901 /nfs/dbraw/zinc/54/79/01/569547901.db2.gz TXJHPGTWSNZUIH-UHFFFAOYSA-N 0 0 429.590 4.543 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)n2)cc1 ZINC000009578831 569548376 /nfs/dbraw/zinc/54/83/76/569548376.db2.gz FPZHRZCSVDJWKA-UHFFFAOYSA-N 0 0 448.577 4.838 50 0 IJAARN COc1cc(CSc2nnc(NC(=O)c3nc4ccccc4s3)s2)cc(OC)c1 ZINC000070635071 569548615 /nfs/dbraw/zinc/54/86/15/569548615.db2.gz KZWBKOARFWKSRE-UHFFFAOYSA-N 0 0 444.563 4.710 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000009580430 569548743 /nfs/dbraw/zinc/54/87/43/569548743.db2.gz QIUMSRDWUJNJBT-BWKNWUBXSA-N 0 0 436.577 4.808 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1 ZINC000009580474 569548837 /nfs/dbraw/zinc/54/88/37/569548837.db2.gz AMFFRMMZRBLSRO-MSOLQXFVSA-N 0 0 444.557 4.740 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc(NC(=O)C2CC2)cc1C ZINC000009581534 569549191 /nfs/dbraw/zinc/54/91/91/569549191.db2.gz VSGQNYUZOAYSHD-UHFFFAOYSA-N 0 0 442.459 4.701 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000009583301 569549261 /nfs/dbraw/zinc/54/92/61/569549261.db2.gz JLNCBZURYOAAOT-QGZVFWFLSA-N 0 0 425.579 4.574 50 0 IJAARN Nn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1Cl ZINC000009583149 569549295 /nfs/dbraw/zinc/54/92/95/569549295.db2.gz UPKPXKKFHFEMKR-UHFFFAOYSA-N 0 0 444.347 4.850 50 0 IJAARN CC(=O)N1N=C(c2ccccc2I)O[C@H]1c1ccc2ccccc2c1 ZINC000009585883 569549577 /nfs/dbraw/zinc/54/95/77/569549577.db2.gz JTCAZJFQYSZIMG-FQEVSTJZSA-N 0 0 442.256 4.684 50 0 IJAARN CCOC(=O)[C@@H](Sc1nnc([C@@H](CC)N(C)C)n1Cc1ccccc1)c1ccccc1 ZINC000009592062 569550309 /nfs/dbraw/zinc/55/03/09/569550309.db2.gz BCAOUZJSSSBWNY-RTWAWAEBSA-N 0 0 438.597 4.736 50 0 IJAARN Cc1cc(C)nc(SCC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 ZINC000009595427 569550714 /nfs/dbraw/zinc/55/07/14/569550714.db2.gz FYSJWWQYQQCEPA-UHFFFAOYSA-N 0 0 446.370 4.867 50 0 IJAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000009595863 569550768 /nfs/dbraw/zinc/55/07/68/569550768.db2.gz GAQZTIHRCSHQQS-UHFFFAOYSA-N 0 0 434.546 4.728 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000009603316 569551799 /nfs/dbraw/zinc/55/17/99/569551799.db2.gz SCFJRUMNIPYUSN-FQEVSTJZSA-N 0 0 445.441 4.855 50 0 IJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000009609660 569552388 /nfs/dbraw/zinc/55/23/88/569552388.db2.gz CRSXKBAXPPZACH-UHFFFAOYSA-N 0 0 430.527 4.834 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1OC ZINC000009609833 569552444 /nfs/dbraw/zinc/55/24/44/569552444.db2.gz KDFWFAUEPKYXIA-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4)c(C)n3n2)c(OC)c1 ZINC000009609944 569552468 /nfs/dbraw/zinc/55/24/68/569552468.db2.gz PKPJOTZJZQDWBK-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCCO4)cc1 ZINC000009610747 569552607 /nfs/dbraw/zinc/55/26/07/569552607.db2.gz ODLSSXLBUIYPKB-UHFFFAOYSA-N 0 0 439.511 4.977 50 0 IJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)c(C)c1)cn2Cc1ccccc1OC ZINC000009610772 569552631 /nfs/dbraw/zinc/55/26/31/569552631.db2.gz YSGTWBMAVOGFDM-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN COc1cc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc(OC)c1OC ZINC000009612088 569552816 /nfs/dbraw/zinc/55/28/16/569552816.db2.gz ZBEGWGFMMWKXPN-NRFANRHFSA-N 0 0 425.872 4.532 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3Cl)c2=O)CCC4)cc1 ZINC000009615409 569553215 /nfs/dbraw/zinc/55/32/15/569553215.db2.gz ZXYSXFQDGKUOAT-UHFFFAOYSA-N 0 0 436.964 4.967 50 0 IJAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 ZINC000009615890 569553225 /nfs/dbraw/zinc/55/32/25/569553225.db2.gz YHZKUIGGTLXOSF-IFXJQAMLSA-N 0 0 440.594 4.965 50 0 IJAARN CCOc1ccccc1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C ZINC000009632500 569554009 /nfs/dbraw/zinc/55/40/09/569554009.db2.gz IUFFFBRHLOKDEK-UHFFFAOYSA-N 0 0 432.270 4.698 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000009632436 569554032 /nfs/dbraw/zinc/55/40/32/569554032.db2.gz FFIVCIFRDORAQJ-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000009639021 569555103 /nfs/dbraw/zinc/55/51/03/569555103.db2.gz QVDDNGAMUFLCSR-UHFFFAOYSA-N 0 0 448.926 4.962 50 0 IJAARN COc1ccccc1-c1nnc(C2CCN(C(=O)c3cccc(Br)c3)CC2)o1 ZINC000009640081 569555339 /nfs/dbraw/zinc/55/53/39/569555339.db2.gz XOGLCVYEUOPWIA-UHFFFAOYSA-N 0 0 442.313 4.528 50 0 IJAARN CCCCN(Cc1ccco1)C(=O)CCc1c(C)nc2c3c(nn2c1C)nc(C)cc3C ZINC000009640197 569555363 /nfs/dbraw/zinc/55/53/63/569555363.db2.gz VJWBGDMKEYKWOY-UHFFFAOYSA-N 0 0 433.556 4.866 50 0 IJAARN Cc1cccc(OCCSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n32)c1 ZINC000009641340 569555635 /nfs/dbraw/zinc/55/56/35/569555635.db2.gz MASIIVOXAJKWIF-UHFFFAOYSA-N 0 0 434.565 4.862 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2C)c(C)c1 ZINC000009642710 569555859 /nfs/dbraw/zinc/55/58/59/569555859.db2.gz DEOJUVZPGAGSAP-UHFFFAOYSA-N 0 0 437.565 4.731 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C(=O)N(C)C)c3ccccc3)nnc2-c2cccnc2)c(C)c1 ZINC000009647770 569556428 /nfs/dbraw/zinc/55/64/28/569556428.db2.gz UPCHEVMEPVVAEW-JOCHJYFZSA-N 0 0 443.576 4.868 50 0 IJAARN CSCC[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1C)c1nc2ccccc2[nH]1 ZINC000009662259 569557076 /nfs/dbraw/zinc/55/70/76/569557076.db2.gz MMSBKOGCEXKZSU-NRFANRHFSA-N 0 0 433.581 4.649 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1C ZINC000009663735 569557257 /nfs/dbraw/zinc/55/72/57/569557257.db2.gz CIAMFWRWPSDSGN-KRWDZBQOSA-N 0 0 449.576 4.942 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2c(F)cccc2Cl)n(-c2ccccc2)n1 ZINC000009666296 569557696 /nfs/dbraw/zinc/55/76/96/569557696.db2.gz VOFNIGZNDFMQAD-UHFFFAOYSA-N 0 0 429.879 4.758 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCc1ccccc1 ZINC000009667324 569557804 /nfs/dbraw/zinc/55/78/04/569557804.db2.gz KNRVACOFAWUZLC-BCHFMIIMSA-N 0 0 437.543 4.769 50 0 IJAARN CC(C)Cn1c2ccccc2nc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000009670084 569558247 /nfs/dbraw/zinc/55/82/47/569558247.db2.gz ZJLAZGHJAYXECO-UHFFFAOYSA-N 0 0 444.988 4.535 50 0 IJAARN O=C(COC(=O)c1ccnc(Cl)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009670284 569558286 /nfs/dbraw/zinc/55/82/86/569558286.db2.gz QHUFVTJOAOIMPA-QGZVFWFLSA-N 0 0 444.274 4.516 50 0 IJAARN COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009671057 569558447 /nfs/dbraw/zinc/55/84/47/569558447.db2.gz QGKGXPVEQNOFSS-MRXNPFEDSA-N 0 0 447.520 4.583 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009671255 569558525 /nfs/dbraw/zinc/55/85/25/569558525.db2.gz DXCBMJNCDVERNR-XMMPIXPASA-N 0 0 429.520 4.688 50 0 IJAARN COc1ccccc1CNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674047 569559073 /nfs/dbraw/zinc/55/90/73/569559073.db2.gz NWOGJRBMLBLCAT-UHFFFAOYSA-N 0 0 443.547 4.937 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c1C ZINC000009684327 569560500 /nfs/dbraw/zinc/56/05/00/569560500.db2.gz KPCWCTDWSLFUBW-UHFFFAOYSA-N 0 0 434.315 4.622 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)c1 ZINC000009687795 569560823 /nfs/dbraw/zinc/56/08/23/569560823.db2.gz DUHJQZLKYWJUQS-UHFFFAOYSA-N 0 0 431.517 4.815 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000009689318 569560926 /nfs/dbraw/zinc/56/09/26/569560926.db2.gz GYHWUVHVIIGMOE-UHFFFAOYSA-N 0 0 432.545 4.511 50 0 IJAARN COc1cccc2cc(-c3cc(=O)oc4cc(-c5ccccc5)c(OCC(N)=O)cc43)oc21 ZINC000009708081 569561826 /nfs/dbraw/zinc/56/18/26/569561826.db2.gz DDVQEPZKUZHUAG-UHFFFAOYSA-N 0 0 441.439 4.746 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000009712108 569562148 /nfs/dbraw/zinc/56/21/48/569562148.db2.gz RIKRWRYSEIRTES-SJORKVTESA-N 0 0 439.606 4.616 50 0 IJAARN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009712903 569562359 /nfs/dbraw/zinc/56/23/59/569562359.db2.gz SHPASTPLXGHJDY-NSHDSACASA-N 0 0 429.386 4.646 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000009714737 569562822 /nfs/dbraw/zinc/56/28/22/569562822.db2.gz KNBWHHQEWBLKFS-MRXNPFEDSA-N 0 0 441.984 4.591 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4sccc4c3)cc2)cc1 ZINC000009714999 569562930 /nfs/dbraw/zinc/56/29/30/569562930.db2.gz ADONOJKZKAMFEZ-UHFFFAOYSA-N 0 0 438.530 4.963 50 0 IJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCC(c5ccccc5)=N4)o3)cc2C1 ZINC000009724288 569563712 /nfs/dbraw/zinc/56/37/12/569563712.db2.gz OCJOHDQISIDKGZ-CQSZACIVSA-N 0 0 438.578 4.652 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2nc3ccccc3s2)cc1 ZINC000009725597 569563822 /nfs/dbraw/zinc/56/38/22/569563822.db2.gz JPXAYIWOBFKPAO-UHFFFAOYSA-N 0 0 428.535 4.679 50 0 IJAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)s1 ZINC000009727528 569563989 /nfs/dbraw/zinc/56/39/89/569563989.db2.gz DXOLGMMVPNJXAD-UHFFFAOYSA-N 0 0 436.562 4.817 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000009727999 569564136 /nfs/dbraw/zinc/56/41/36/569564136.db2.gz BCAIVQHPOWVRKA-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N(C)Cc2ccccc2)n1Cc1ccccc1 ZINC000009729225 569564237 /nfs/dbraw/zinc/56/42/37/569564237.db2.gz IZYFRVVNYZKBJY-UHFFFAOYSA-N 0 0 432.549 4.646 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009743424 569565480 /nfs/dbraw/zinc/56/54/80/569565480.db2.gz YUNMOQVRZUGEHY-QGZVFWFLSA-N 0 0 436.518 4.616 50 0 IJAARN Cc1ccc(C)c(OC[C@@H](O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C ZINC000009746985 569565797 /nfs/dbraw/zinc/56/57/97/569565797.db2.gz XDHRDUWBFVJGGT-GOSISDBHSA-N 0 0 427.545 4.876 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000009751702 569566103 /nfs/dbraw/zinc/56/61/03/569566103.db2.gz LLJOIXZYKGABSM-UHFFFAOYSA-N 0 0 429.448 4.562 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2c3ccccc3oc2c1=O ZINC000009751696 569566110 /nfs/dbraw/zinc/56/61/10/569566110.db2.gz WGILBHODZSUNAC-UHFFFAOYSA-N 0 0 437.521 4.682 50 0 IJAARN CCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2c3ccccc3oc2c1=O ZINC000009751754 569566113 /nfs/dbraw/zinc/56/61/13/569566113.db2.gz BNOBSLFMXRBRKT-UHFFFAOYSA-N 0 0 437.521 4.601 50 0 IJAARN CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000009754365 569566155 /nfs/dbraw/zinc/56/61/55/569566155.db2.gz MPMCSYBELCEABJ-UHFFFAOYSA-N 0 0 436.961 4.554 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778669 569567265 /nfs/dbraw/zinc/56/72/65/569567265.db2.gz YOKYVPSSSOWUNR-NHCUHLMSSA-N 0 0 434.854 4.540 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(-c4ccccc4)n3)[C@@H](c3ccco3)C2)cc1 ZINC000009789017 569567986 /nfs/dbraw/zinc/56/79/86/569567986.db2.gz MAQCVWRKWAXBOE-HXUWFJFHSA-N 0 0 443.532 4.843 50 0 IJAARN C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009789330 569568114 /nfs/dbraw/zinc/56/81/14/569568114.db2.gz IAFGHBGWMHSOCL-LBPRGKRZSA-N 0 0 443.579 4.986 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1-c1ccccc1 ZINC000009789715 569568179 /nfs/dbraw/zinc/56/81/79/569568179.db2.gz DHUNJFZOFVFREX-UHFFFAOYSA-N 0 0 436.537 4.738 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c(C)n1C[C@@H]1CCCO1 ZINC000009793150 569568327 /nfs/dbraw/zinc/56/83/27/569568327.db2.gz WERCXWOYHWMBFE-INIZCTEOSA-N 0 0 436.537 4.790 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccco4)o3)[C@H](c3ccco3)C2)cc1 ZINC000009792979 569568351 /nfs/dbraw/zinc/56/83/51/569568351.db2.gz RRRHEBHXGKLNPI-KRWDZBQOSA-N 0 0 434.477 4.701 50 0 IJAARN C[C@@H]1Cc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc2N1S(C)(=O)=O ZINC000009796079 569568437 /nfs/dbraw/zinc/56/84/37/569568437.db2.gz BSZSZBUMIZHXKB-CYBMUJFWSA-N 0 0 441.603 4.721 50 0 IJAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NCc1ccc(Cn2cccn2)cc1 ZINC000009808101 569568980 /nfs/dbraw/zinc/56/89/80/569568980.db2.gz MEOINLYDDUNGKV-UHFFFAOYSA-N 0 0 443.532 4.801 50 0 IJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccnn4C4CCCC4)o3)cc2C1 ZINC000009814664 569569133 /nfs/dbraw/zinc/56/91/33/569569133.db2.gz YALMXAVEOHWDQC-ZDUSSCGKSA-N 0 0 443.598 4.965 50 0 IJAARN Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(NC4CC4)s3)n2)cc1C ZINC000009823637 569569646 /nfs/dbraw/zinc/56/96/46/569569646.db2.gz SBSFFEDUAOVNQN-UHFFFAOYSA-N 0 0 431.612 4.892 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000009829874 569570148 /nfs/dbraw/zinc/57/01/48/569570148.db2.gz MQMDSNAQFSIVCA-IBGZPJMESA-N 0 0 444.556 4.593 50 0 IJAARN CCOc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=NCC2=O)cc1 ZINC000009834160 569570563 /nfs/dbraw/zinc/57/05/63/569570563.db2.gz MLZMROZBXNKQGO-UHFFFAOYSA-N 0 0 447.922 4.561 50 0 IJAARN Clc1cccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCCC2)c1 ZINC000009847307 569571152 /nfs/dbraw/zinc/57/11/52/569571152.db2.gz ITWDUDSCNMAMOH-UHFFFAOYSA-N 0 0 444.973 4.925 50 0 IJAARN CCn1c(C(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc2sccc21 ZINC000009847746 569571179 /nfs/dbraw/zinc/57/11/79/569571179.db2.gz MFXRUPBJWIKESU-SFHVURJKSA-N 0 0 437.609 4.712 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(C)cc3c2=O)cc1 ZINC000009855739 569571541 /nfs/dbraw/zinc/57/15/41/569571541.db2.gz DLBMQXPTNVJTON-UHFFFAOYSA-N 0 0 428.463 4.627 50 0 IJAARN Cc1csc2nc(COc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n12 ZINC000009858773 569571764 /nfs/dbraw/zinc/57/17/64/569571764.db2.gz QUPMDBAGNHHCQV-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cc(Br)c(NC(=O)CN2CCc3ccccc3C2)c(Br)c1 ZINC000009868281 569572351 /nfs/dbraw/zinc/57/23/51/569572351.db2.gz WPTJPVIJEBZAGR-UHFFFAOYSA-N 0 0 438.163 4.517 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc3c(c2)OCCO3)c1 ZINC000009871663 569572363 /nfs/dbraw/zinc/57/23/63/569572363.db2.gz KZNJQUIWJKYZJP-UHFFFAOYSA-N 0 0 434.517 4.749 50 0 IJAARN CC(C)(C)c1cc(NC(=O)CSc2n[nH]c(-c3cccs3)n2)n(-c2ccccc2)n1 ZINC000009872260 569572450 /nfs/dbraw/zinc/57/24/50/569572450.db2.gz SHIJZJLBZKPTNK-UHFFFAOYSA-N 0 0 438.582 4.747 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(NCC(=O)Nc3cccc(Cl)c3C)c2c1C ZINC000009873154 569572523 /nfs/dbraw/zinc/57/25/23/569572523.db2.gz ADRLHSZSSCHNDF-UHFFFAOYSA-N 0 0 444.004 4.916 50 0 IJAARN COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000009884403 569572742 /nfs/dbraw/zinc/57/27/42/569572742.db2.gz CGTNFCSMDJUHAX-JTQLQIEISA-N 0 0 446.219 4.661 50 0 IJAARN Cc1cccc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000009892741 569572995 /nfs/dbraw/zinc/57/29/95/569572995.db2.gz OPIGEMLKYPJKMY-UHFFFAOYSA-N 0 0 425.496 4.718 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc32)c2ccccc2)cc1 ZINC000009907596 569573193 /nfs/dbraw/zinc/57/31/93/569573193.db2.gz CXUGRBXCUZIZED-UHFFFAOYSA-N 0 0 430.529 4.982 50 0 IJAARN CC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000009912652 569573261 /nfs/dbraw/zinc/57/32/61/569573261.db2.gz NHUSFPLHHWMMQD-UHFFFAOYSA-N 0 0 442.562 4.514 50 0 IJAARN COc1ccc(C)cc1CN(C)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000009918836 569573493 /nfs/dbraw/zinc/57/34/93/569573493.db2.gz IAEZQICKZDOEHC-UHFFFAOYSA-N 0 0 430.548 4.668 50 0 IJAARN Cc1ccc(C)c(Cn2c3sc4c(c3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CCC4)c1 ZINC000009937495 569573779 /nfs/dbraw/zinc/57/37/79/569573779.db2.gz CXXSWUNVYSVINU-UHFFFAOYSA-N 0 0 430.573 4.985 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(F)c(Cl)c1 ZINC000009940617 569573945 /nfs/dbraw/zinc/57/39/45/569573945.db2.gz MFUPDMWFGPJESF-UHFFFAOYSA-N 0 0 449.298 4.792 50 0 IJAARN O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000009949172 569574202 /nfs/dbraw/zinc/57/42/02/569574202.db2.gz UECXRRCONMHFGR-UHFFFAOYSA-N 0 0 443.572 4.606 50 0 IJAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000009950493 569574404 /nfs/dbraw/zinc/57/44/04/569574404.db2.gz LZWKBDLQQPZBPD-AWEZNQCLSA-N 0 0 437.550 4.519 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)c1 ZINC000009953593 569574705 /nfs/dbraw/zinc/57/47/05/569574705.db2.gz VVDDGXVRSUYAHC-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)N1CCC[C@H]1c1ccccc1 ZINC000009956807 569574769 /nfs/dbraw/zinc/57/47/69/569574769.db2.gz ZGFLPKKJCJEJJC-INIZCTEOSA-N 0 0 439.147 4.954 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(OC)c2)cc1 ZINC000009958753 569574988 /nfs/dbraw/zinc/57/49/88/569574988.db2.gz STDOOGGDHJFEQF-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN CC(=O)c1cc2c(cc1NC(=O)COc1c(Cl)cc(Cl)c3ccc(C)nc31)OCO2 ZINC000009962438 569575679 /nfs/dbraw/zinc/57/56/79/569575679.db2.gz YFZWIXFAVBKQEM-UHFFFAOYSA-N 0 0 447.274 4.799 50 0 IJAARN CCCc1ccc(-c2nc(NC(=O)CSCC(=O)Nc3cc(C)on3)sc2C)cc1 ZINC000009963011 569575726 /nfs/dbraw/zinc/57/57/26/569575726.db2.gz ZBYAZFAXZDJNLN-UHFFFAOYSA-N 0 0 444.582 4.678 50 0 IJAARN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000009971994 569576344 /nfs/dbraw/zinc/57/63/44/569576344.db2.gz JFXDMVZBPVMDTD-UHFFFAOYSA-N 0 0 448.894 4.618 50 0 IJAARN O=C(COc1ccccc1)Nc1ccc([C@H]2CC2(Br)Br)cc1 ZINC000009972093 569576380 /nfs/dbraw/zinc/57/63/80/569576380.db2.gz AAXNVDKAZGFCGT-OAHLLOKOSA-N 0 0 425.120 4.678 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2CC(C)C)cc1 ZINC000009983467 569576595 /nfs/dbraw/zinc/57/65/95/569576595.db2.gz DOTAHWQFBSORMD-UHFFFAOYSA-N 0 0 440.569 4.658 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000009987787 569576803 /nfs/dbraw/zinc/57/68/03/569576803.db2.gz FHYIYYAYCSODOT-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1Cc1ccccc1)c1ccccc1 ZINC000009994309 569576944 /nfs/dbraw/zinc/57/69/44/569576944.db2.gz DQKIYQDERMRODO-JOCHJYFZSA-N 0 0 445.548 4.511 50 0 IJAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009995089 569577021 /nfs/dbraw/zinc/57/70/21/569577021.db2.gz GOYDDWOOCOECCF-UHFFFAOYSA-N 0 0 448.573 4.897 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)Nc1ccc(N2CCCCCC2)cc1 ZINC000010037224 569577432 /nfs/dbraw/zinc/57/74/32/569577432.db2.gz OUPQYXKKDORIKP-UHFFFAOYSA-N 0 0 425.533 4.722 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3N3CCCC3=O)c2n1 ZINC000010037799 569577445 /nfs/dbraw/zinc/57/74/45/569577445.db2.gz LHJMQXWWGZDVIW-UHFFFAOYSA-N 0 0 444.318 4.994 50 0 IJAARN COc1ccc(CC(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1 ZINC000010186528 569578371 /nfs/dbraw/zinc/57/83/71/569578371.db2.gz TVLSEWJWYCMRLJ-UHFFFAOYSA-N 0 0 433.895 4.537 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)N(Cc1ccccc1)c1nc2ccccc2s1 ZINC000010187486 569578613 /nfs/dbraw/zinc/57/86/13/569578613.db2.gz PRZUQTMGMMRLRK-UHFFFAOYSA-N 0 0 436.558 4.694 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)nc21 ZINC000010187665 569578656 /nfs/dbraw/zinc/57/86/56/569578656.db2.gz HJSQYGFEXRNXPJ-SDNWHVSQSA-N 0 0 431.517 4.955 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000010214320 569579111 /nfs/dbraw/zinc/57/91/11/569579111.db2.gz OKXVKXSRXLXNSA-JOCHJYFZSA-N 0 0 449.551 4.886 50 0 IJAARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 ZINC000010214625 569579179 /nfs/dbraw/zinc/57/91/79/569579179.db2.gz LKFXZTZXMQGGFE-HSZRJFAPSA-N 0 0 433.552 4.584 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000010224957 569579226 /nfs/dbraw/zinc/57/92/26/569579226.db2.gz WTCLTAXNWMZLOB-UHFFFAOYSA-N 0 0 434.536 4.667 50 0 IJAARN COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)c1 ZINC000010232995 569579353 /nfs/dbraw/zinc/57/93/53/569579353.db2.gz VUTYYKLPPPVAHW-UHFFFAOYSA-N 0 0 431.469 4.918 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(OCC)cc4)on3)sc2c1 ZINC000010232774 569579363 /nfs/dbraw/zinc/57/93/63/569579363.db2.gz IFKGANMLGZZENN-UHFFFAOYSA-N 0 0 437.477 4.779 50 0 IJAARN COc1cc(OC)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC ZINC000010235720 569579676 /nfs/dbraw/zinc/57/96/76/569579676.db2.gz OASZEVUKKWFNEJ-UHFFFAOYSA-N 0 0 446.956 4.995 50 0 IJAARN O=C(NCc1ccccc1Cn1cccn1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010235051 569579698 /nfs/dbraw/zinc/57/96/98/569579698.db2.gz RRMNSUDZVMVHGP-UHFFFAOYSA-N 0 0 433.515 4.714 50 0 IJAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)c1 ZINC000010253425 569579949 /nfs/dbraw/zinc/57/99/49/569579949.db2.gz CJIUWZGGJQEECA-UHFFFAOYSA-N 0 0 443.575 4.854 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3c(C)cccc3Cl)C2=O)cc1 ZINC000071768981 569580849 /nfs/dbraw/zinc/58/08/49/569580849.db2.gz VQOHIGWMSAHJPC-UHFFFAOYSA-N 0 0 439.943 4.587 50 0 IJAARN Cc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)c1 ZINC000010337044 569581149 /nfs/dbraw/zinc/58/11/49/569581149.db2.gz RXRUOCLMAXQFQH-FGZHOGPDSA-N 0 0 428.883 4.590 50 0 IJAARN Cc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)c1 ZINC000010337046 569581182 /nfs/dbraw/zinc/58/11/82/569581182.db2.gz RXRUOCLMAXQFQH-YADHBBJMSA-N 0 0 428.883 4.590 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4cccnc43)c2)cc1 ZINC000010426193 569582051 /nfs/dbraw/zinc/58/20/51/569582051.db2.gz RXZJLESHMFPBCM-UHFFFAOYSA-N 0 0 447.516 4.687 50 0 IJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000071844212 569582333 /nfs/dbraw/zinc/58/23/33/569582333.db2.gz LQAVQFOHVRVYFG-DJIMGWMZSA-N 0 0 449.414 4.814 50 0 IJAARN Cc1ccc(F)c(C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1N ZINC000071846722 569582423 /nfs/dbraw/zinc/58/24/23/569582423.db2.gz SMIUJFSHECDDGG-MRXNPFEDSA-N 0 0 425.287 4.544 50 0 IJAARN Cc1noc2nc(C)cc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)c12 ZINC000010484604 569582518 /nfs/dbraw/zinc/58/25/18/569582518.db2.gz GEALAOFORMAQNJ-UHFFFAOYSA-N 0 0 437.503 4.681 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000010516854 569582684 /nfs/dbraw/zinc/58/26/84/569582684.db2.gz UWNHLVMVNANTEQ-UHFFFAOYSA-N 0 0 426.325 4.643 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)CC(C)C)cc1 ZINC000036044898 569584123 /nfs/dbraw/zinc/58/41/23/569584123.db2.gz WTJGCYKJTMHADR-UHFFFAOYSA-N 0 0 446.595 5.317 50 0 IJAARN COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)cc1 ZINC000077191849 569585980 /nfs/dbraw/zinc/58/59/80/569585980.db2.gz KNRFZILBMYBIGX-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130305 569587376 /nfs/dbraw/zinc/58/73/76/569587376.db2.gz SOCGXEXPHVNYTQ-UHFFFAOYSA-N 0 0 438.524 4.966 50 0 IJAARN Cc1cc(C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 ZINC000033277388 569587406 /nfs/dbraw/zinc/58/74/06/569587406.db2.gz AHGJNBWAEFBVJX-UHFFFAOYSA-N 0 0 428.580 4.924 50 0 IJAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033261526 569587424 /nfs/dbraw/zinc/58/74/24/569587424.db2.gz ZNPHIJHLPUOKKT-UHFFFAOYSA-N 0 0 449.507 4.902 50 0 IJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)C(C(=O)OC)=C1C ZINC000035710521 569587781 /nfs/dbraw/zinc/58/77/81/569587781.db2.gz XVUWBAAAPWJDTP-FQEVSTJZSA-N 0 0 441.915 4.516 50 0 IJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000009251271 534953400 /nfs/dbraw/zinc/95/34/00/534953400.db2.gz ASNSJJQKEPKISF-UHFFFAOYSA-N 0 0 435.524 4.533 50 0 IJAARN CCc1c2c(N)c(C(=O)c3ccc4c(c3)OCCO4)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000000630347 193863352 /nfs/dbraw/zinc/86/33/52/193863352.db2.gz SQOPMDVVYHBNFC-UHFFFAOYSA-N 0 0 436.533 4.598 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000648227 193870937 /nfs/dbraw/zinc/87/09/37/193870937.db2.gz XZHJLJYYUIMGLK-UHFFFAOYSA-N 0 0 440.293 4.687 50 0 IJAARN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C)cc4Br)nnc3c2c1 ZINC000000648717 193871181 /nfs/dbraw/zinc/87/11/81/193871181.db2.gz TWBZMHBPZYDLPZ-UHFFFAOYSA-N 0 0 442.342 4.616 50 0 IJAARN O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000653339 193873484 /nfs/dbraw/zinc/87/34/84/193873484.db2.gz NIGKWZRVYJMGDG-HSZRJFAPSA-N 0 0 446.400 4.840 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccncc2)cc1 ZINC000000663934 193877462 /nfs/dbraw/zinc/87/74/62/193877462.db2.gz QJBVTEFDQVLBEI-ROUUACIJSA-N 0 0 435.597 4.773 50 0 IJAARN O=S(=O)(NCCSc1cc(C(F)(F)F)nc2ccccc21)c1ccc(Cl)cc1 ZINC000006198889 193892123 /nfs/dbraw/zinc/89/21/23/193892123.db2.gz GCRKHFYHXKCVIH-UHFFFAOYSA-N 0 0 446.903 4.978 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006286469 193895956 /nfs/dbraw/zinc/89/59/56/193895956.db2.gz FDJILNKMTUSLSI-DUXBZUBYSA-N 0 0 429.004 4.913 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3cc(F)cc(F)c3)o2)cc1 ZINC000051317315 193924471 /nfs/dbraw/zinc/92/44/71/193924471.db2.gz ZTEXZBASVIBECT-UHFFFAOYSA-N 0 0 447.503 4.660 50 0 IJAARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096231029 193938348 /nfs/dbraw/zinc/93/83/48/193938348.db2.gz IBPGSXROFBORBX-HSZRJFAPSA-N 0 0 442.515 4.726 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000000812007 132231003 /nfs/dbraw/zinc/23/10/03/132231003.db2.gz SDLASVKZDQJSRZ-UHFFFAOYSA-N 0 0 443.931 4.755 50 0 IJAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009462788 132231854 /nfs/dbraw/zinc/23/18/54/132231854.db2.gz USPRCOFYHPDLQM-XMMPIXPASA-N 0 0 446.934 4.757 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)N1CCCc2ccccc21 ZINC000009517692 132232568 /nfs/dbraw/zinc/23/25/68/132232568.db2.gz GDARVSGLIGCTAO-UHFFFAOYSA-N 0 0 435.940 4.540 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000009635078 132234479 /nfs/dbraw/zinc/23/44/79/132234479.db2.gz KVOKYCOQIKMKGG-UHFFFAOYSA-N 0 0 449.557 4.690 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)CC1 ZINC000000995631 132236778 /nfs/dbraw/zinc/23/67/78/132236778.db2.gz KVSNZDAFOOCKJN-UHFFFAOYSA-N 0 0 427.504 4.774 50 0 IJAARN O=C(c1ccccc1F)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000001377049 132244245 /nfs/dbraw/zinc/24/42/45/132244245.db2.gz NVASGTBXWRWFGQ-UHFFFAOYSA-N 0 0 436.556 4.549 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000001840705 132247160 /nfs/dbraw/zinc/24/71/60/132247160.db2.gz PSCGFZKDBAPWLN-XLQGDHTPSA-N 0 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132264077 /nfs/dbraw/zinc/26/40/77/132264077.db2.gz AEDNPCDBMVKCOS-XMMPIXPASA-N 0 0 446.572 4.636 50 0 IJAARN O=C(/C=C/c1cccc(Br)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003335270 132264080 /nfs/dbraw/zinc/26/40/80/132264080.db2.gz LNFBRQABMWEYIE-BQYQJAHWSA-N 0 0 439.275 4.830 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(N2CCOCC2)cc1 ZINC000003444445 132265607 /nfs/dbraw/zinc/26/56/07/132265607.db2.gz ZPDKHUMDFBCJNN-UHFFFAOYSA-N 0 0 429.542 4.517 50 0 IJAARN O=C(NC1CCCCCCC1)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003665834 132267309 /nfs/dbraw/zinc/26/73/09/132267309.db2.gz CMFVUIAZLBPUIZ-HSZRJFAPSA-N 0 0 427.932 4.766 50 0 IJAARN C[C@H]1CN(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c2cc(Cl)ccc2O1 ZINC000008588429 132282930 /nfs/dbraw/zinc/28/29/30/132282930.db2.gz CUHDZFMULYHXDW-INIZCTEOSA-N 0 0 433.980 4.598 50 0 IJAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)sc21 ZINC000008596114 132284816 /nfs/dbraw/zinc/28/48/16/132284816.db2.gz XNRVXBGWLQOKSD-UHFFFAOYSA-N 0 0 438.503 4.542 50 0 IJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000008727240 132292308 /nfs/dbraw/zinc/29/23/08/132292308.db2.gz QMKIRJGFYWAFAY-HSZRJFAPSA-N 0 0 434.467 4.506 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1Cl ZINC000009096561 132302981 /nfs/dbraw/zinc/30/29/81/132302981.db2.gz YQYVBXKHMKYZPQ-UHFFFAOYSA-N 0 0 443.975 4.686 50 0 IJAARN CCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000009119049 132304628 /nfs/dbraw/zinc/30/46/28/132304628.db2.gz HONDKRGLFOFFST-UHFFFAOYSA-N 0 0 442.556 4.538 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@H]2c2cccs2)cc1 ZINC000009125630 132305230 /nfs/dbraw/zinc/30/52/30/132305230.db2.gz NBLUEIZKDZHCFX-LPHOPBHVSA-N 0 0 438.578 4.908 50 0 IJAARN CC(C)c1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1 ZINC000009211239 132309141 /nfs/dbraw/zinc/30/91/41/132309141.db2.gz ZTUFCFDSXLGLIO-UHFFFAOYSA-N 0 0 432.572 4.531 50 0 IJAARN C[C@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009252678 132311121 /nfs/dbraw/zinc/31/11/21/132311121.db2.gz GLMPJQORNVVSML-AWEZNQCLSA-N 0 0 446.557 4.824 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000009365019 132314370 /nfs/dbraw/zinc/31/43/70/132314370.db2.gz FDNQDCSYCAZVOF-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000009405832 132315019 /nfs/dbraw/zinc/31/50/19/132315019.db2.gz XORSYOKHKRQKQV-SJORKVTESA-N 0 0 441.959 4.637 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000009491218 132319188 /nfs/dbraw/zinc/31/91/88/132319188.db2.gz PCXDQDQVLPCVAK-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN CS(=O)(=O)N1CCCc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc21 ZINC000009591887 132322509 /nfs/dbraw/zinc/32/25/09/132322509.db2.gz KEUQEIPAWHETHF-UHFFFAOYSA-N 0 0 441.603 4.723 50 0 IJAARN Fc1cccc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)c1 ZINC000009762063 132328398 /nfs/dbraw/zinc/32/83/98/132328398.db2.gz JLUGMKDPLURGLA-UHFFFAOYSA-N 0 0 435.290 4.641 50 0 IJAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12 ZINC000009776701 132328648 /nfs/dbraw/zinc/32/86/48/132328648.db2.gz UZBGULFPYQRNRV-UHFFFAOYSA-N 0 0 436.600 4.947 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000009862701 132330366 /nfs/dbraw/zinc/33/03/66/132330366.db2.gz GDOUIWPCGAZXJP-UHFFFAOYSA-N 0 0 446.429 4.763 50 0 IJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000010899857 132336643 /nfs/dbraw/zinc/33/66/43/132336643.db2.gz MBHGDLYKYPAYCK-UHFFFAOYSA-N 0 0 437.584 4.974 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000013041306 132343404 /nfs/dbraw/zinc/34/34/04/132343404.db2.gz OALNOKMPQVEBCU-UHFFFAOYSA-N 0 0 425.554 4.852 50 0 IJAARN COCCNc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)s1 ZINC000013134929 132345699 /nfs/dbraw/zinc/34/56/99/132345699.db2.gz AMEYKOFJKHAHHQ-UHFFFAOYSA-N 0 0 430.580 4.518 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000013330934 132346476 /nfs/dbraw/zinc/34/64/76/132346476.db2.gz QIENDBJLZKXBFF-UHFFFAOYSA-N 0 0 427.957 4.823 50 0 IJAARN C[C@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369344 132346758 /nfs/dbraw/zinc/34/67/58/132346758.db2.gz MXDMJEJUNYSLSD-GOSISDBHSA-N 0 0 445.954 4.662 50 0 IJAARN C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369342 132346773 /nfs/dbraw/zinc/34/67/73/132346773.db2.gz MXDMJEJUNYSLSD-SFHVURJKSA-N 0 0 445.954 4.662 50 0 IJAARN FC(F)(F)c1cccc(N2CCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)n1 ZINC000013466490 132347049 /nfs/dbraw/zinc/34/70/49/132347049.db2.gz MOICUWRYALYDCF-UHFFFAOYSA-N 0 0 426.364 4.994 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583482 132350913 /nfs/dbraw/zinc/35/09/13/132350913.db2.gz WSPGEVLMCOFFRV-UHFFFAOYSA-N 0 0 434.561 4.951 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583505 132351048 /nfs/dbraw/zinc/35/10/48/132351048.db2.gz SDZHXNNBUOLBKZ-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN CC(=O)c1ccc(-c2ccc([C@@H]3NC(=S)NC(C)=C3C(=O)Nc3ccc(F)cc3)o2)cc1 ZINC000012565727 518297790 /nfs/dbraw/zinc/29/77/90/518297790.db2.gz GJACRGHHYVRNOU-QFIPXVFZSA-N 0 0 449.507 4.720 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCC5)n4)cc3)nc2C)cc1 ZINC000032999161 518381192 /nfs/dbraw/zinc/38/11/92/518381192.db2.gz VATQJQTZIFVYPL-UHFFFAOYSA-N 0 0 441.491 4.953 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000012593298 518401999 /nfs/dbraw/zinc/40/19/99/518401999.db2.gz HLCPQBZDHFCNLH-DEOSSOPVSA-N 0 0 447.556 4.840 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000012768631 518440322 /nfs/dbraw/zinc/44/03/22/518440322.db2.gz QJZUQIKIQZVNTF-KRWDZBQOSA-N 0 0 446.532 4.908 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(c1ccc(F)cc1)C2=O ZINC000021852745 519007766 /nfs/dbraw/zinc/00/77/66/519007766.db2.gz WERRNDBGBZATGD-RUZDIDTESA-N 0 0 440.563 4.578 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=O)CCSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000012755610 519016412 /nfs/dbraw/zinc/01/64/12/519016412.db2.gz UZLMDHWSLWQJLN-UHFFFAOYSA-N 0 0 448.592 4.881 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001129308 519375960 /nfs/dbraw/zinc/37/59/60/519375960.db2.gz DEWZTNFOJPVLHZ-UHFFFAOYSA-N 0 0 426.866 4.865 50 0 IJAARN CC(C)Cc1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)[nH]n1 ZINC000020856549 519431295 /nfs/dbraw/zinc/43/12/95/519431295.db2.gz GDSFQGWUXIMIHY-DEOSSOPVSA-N 0 0 433.556 4.789 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3F)OC2=O)cs1)c1cccc(Cl)c1 ZINC000012800631 519473305 /nfs/dbraw/zinc/47/33/05/519473305.db2.gz AKXGWCWUZPGNGC-ZDLGFXPLSA-N 0 0 441.871 4.965 50 0 IJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000035765765 519635141 /nfs/dbraw/zinc/63/51/41/519635141.db2.gz OFENVBFJXDHQGB-DQEYMECFSA-N 0 0 430.548 4.849 50 0 IJAARN CC(=O)N1N=C(c2ccc3c(c2)OCO3)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941344 519638551 /nfs/dbraw/zinc/63/85/51/519638551.db2.gz LDIQXJCSOSJDIF-AREMUKBSSA-N 0 0 437.455 4.870 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1cccc(F)c1 ZINC000021911864 519659701 /nfs/dbraw/zinc/65/97/01/519659701.db2.gz KTROLSFUXQMUCM-QFIPXVFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(C)CN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020559343 519719414 /nfs/dbraw/zinc/71/94/14/519719414.db2.gz ARGRYAOEGYWIMR-SFHVURJKSA-N 0 0 434.323 4.815 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000020993545 519721707 /nfs/dbraw/zinc/72/17/07/519721707.db2.gz NYLRNEVUWPKBEL-UHFFFAOYSA-N 0 0 446.532 4.570 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000032973889 519819996 /nfs/dbraw/zinc/81/99/96/519819996.db2.gz JOOQGQLYMSYRQI-QHCPKHFHSA-N 0 0 438.474 4.937 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCCCC2)c2ccccc23)cc1 ZINC000020355977 519838867 /nfs/dbraw/zinc/83/88/67/519838867.db2.gz XDBLSBDNCJSYAC-UHFFFAOYSA-N 0 0 449.580 4.978 50 0 IJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035865844 519872507 /nfs/dbraw/zinc/87/25/07/519872507.db2.gz XPUSQUWHOKSUFE-INIZCTEOSA-N 0 0 426.630 4.778 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(OC)ccc2Br)cc1 ZINC000021107207 519877567 /nfs/dbraw/zinc/87/75/67/519877567.db2.gz NCKATSXBTVJODM-CYBMUJFWSA-N 0 0 448.313 4.625 50 0 IJAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000034921681 519915172 /nfs/dbraw/zinc/91/51/72/519915172.db2.gz JDSWBLSESPPKKS-NRFANRHFSA-N 0 0 431.621 4.825 50 0 IJAARN CCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000035887706 519926821 /nfs/dbraw/zinc/92/68/21/519926821.db2.gz NSLYEDYFJMLIKK-UHFFFAOYSA-N 0 0 448.533 4.932 50 0 IJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023935056 520078774 /nfs/dbraw/zinc/07/87/74/520078774.db2.gz OEUFTLGZRYOOEW-UHFFFAOYSA-N 0 0 444.004 4.563 50 0 IJAARN CCCCCN1CC(=O)N2C[C@H](c3ccc(CC)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012873584 520181093 /nfs/dbraw/zinc/18/10/93/520181093.db2.gz FXQZJMIAWYHQRM-DFHRPNOPSA-N 0 0 443.591 4.952 50 0 biogenic IJAARN CCN(C)C(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042349 520216379 /nfs/dbraw/zinc/21/63/79/520216379.db2.gz VQNHRWGKYLQTSE-OALUTQOASA-N 0 0 438.877 4.693 50 0 IJAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCN(Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000035999480 520255949 /nfs/dbraw/zinc/25/59/49/520255949.db2.gz AJVZIVMLCWYTSE-QFIPXVFZSA-N 0 0 436.983 4.532 50 0 IJAARN CCCOc1cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)nc(C)n1 ZINC000012225621 520315132 /nfs/dbraw/zinc/31/51/32/520315132.db2.gz VELNIWDUFXHXJC-UHFFFAOYSA-N 0 0 430.464 4.676 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000012482166 520352462 /nfs/dbraw/zinc/35/24/62/520352462.db2.gz BFDKONTXKQWPST-UHFFFAOYSA-N 0 0 445.350 4.897 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1OCCC ZINC000018108817 520424402 /nfs/dbraw/zinc/42/44/02/520424402.db2.gz VLFUWHRPWORCQQ-KSFYIVLOSA-N 0 0 442.581 4.945 50 0 IJAARN CCCOc1cccc(C(=O)/N=c2\ccc(C)cn2C(=O)c2cccc(OCCC)c2)c1 ZINC000020572987 520437862 /nfs/dbraw/zinc/43/78/62/520437862.db2.gz GKNIUFRVYXEAMH-SOYKGTTHSA-N 0 0 432.520 4.804 50 0 IJAARN CCCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000012727483 520477614 /nfs/dbraw/zinc/47/76/14/520477614.db2.gz AWHATFQHYBBROY-UHFFFAOYSA-N 0 0 445.548 4.849 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000012522690 520494329 /nfs/dbraw/zinc/49/43/29/520494329.db2.gz FZKYXYQJGCHUBO-UHFFFAOYSA-N 0 0 436.368 4.597 50 0 IJAARN CCCSC1=NC2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N=C1c1ccccc1 ZINC000020582075 520547111 /nfs/dbraw/zinc/54/71/11/520547111.db2.gz OSALYXMFZVFWFK-UHFFFAOYSA-N 0 0 441.622 4.520 50 0 IJAARN CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)CCC3CCCC3)c2)C(C(=O)OC)=C1C ZINC000035711243 520559702 /nfs/dbraw/zinc/55/97/02/520559702.db2.gz CXUYOVSPBXTMDT-QHCPKHFHSA-N 0 0 441.572 4.909 50 0 IJAARN CCOC(=O)C1CCN(C(=O)Cc2c3ccccc3[nH]c2Sc2cccc(F)c2)CC1 ZINC000033116304 520563490 /nfs/dbraw/zinc/56/34/90/520563490.db2.gz ZLZHLDFZRALFNY-UHFFFAOYSA-N 0 0 440.540 4.802 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021526360 520564306 /nfs/dbraw/zinc/56/43/06/520564306.db2.gz HFPJWIIVZVEDFN-YOHDVBOVSA-N 0 0 445.629 4.677 50 0 IJAARN CCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020903193 520565649 /nfs/dbraw/zinc/56/56/49/520565649.db2.gz SQWJHEGPSWOJJA-VWLOTQADSA-N 0 0 425.573 4.504 50 0 IJAARN CCCCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012867810 520567778 /nfs/dbraw/zinc/56/77/78/520567778.db2.gz OQEQOEKZETZOAR-BVZFJXPGSA-N 0 0 435.955 4.653 50 0 biogenic IJAARN CCOc1cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc(OCC)c1OCC ZINC000012411424 520666908 /nfs/dbraw/zinc/66/69/08/520666908.db2.gz OIRKLLNYZHPHGM-UHFFFAOYSA-N 0 0 434.492 4.761 50 0 IJAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(C(=O)OC)cc2OC)n1 ZINC000012777758 520763537 /nfs/dbraw/zinc/76/35/37/520763537.db2.gz CDWNDGZKCLROSG-UHFFFAOYSA-N 0 0 429.542 4.737 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(Cl)cc1Cl ZINC000248054444 520781596 /nfs/dbraw/zinc/78/15/96/520781596.db2.gz BPFVWYVVMSBMIW-OGHNNQOOSA-N 0 0 435.417 4.578 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H]1CC(=O)N(c3ccc(F)c(Cl)c3)C(=O)N1CC2 ZINC000021151268 520797378 /nfs/dbraw/zinc/79/73/78/520797378.db2.gz DXVPQHPWPWBJNN-SFHVURJKSA-N 0 0 432.879 4.733 50 0 IJAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NC2CCCCC2)c3C)cc1OCC ZINC000021913946 520803157 /nfs/dbraw/zinc/80/31/57/520803157.db2.gz YOUGMOATPGYQIV-UHFFFAOYSA-N 0 0 436.556 4.873 50 0 IJAARN CCOc1ccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000020285671 520861446 /nfs/dbraw/zinc/86/14/46/520861446.db2.gz SUKUTVIOOLDZTD-IZHYLOQSSA-N 0 0 435.501 4.905 50 0 IJAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 ZINC000020891539 520894475 /nfs/dbraw/zinc/89/44/75/520894475.db2.gz RDYCAKWQGBHDGP-NRFANRHFSA-N 0 0 437.569 4.541 50 0 IJAARN CCOc1ccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038132 520899187 /nfs/dbraw/zinc/89/91/87/520899187.db2.gz XXPQJQGSPTWXME-UHFFFAOYSA-N 0 0 427.504 4.727 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Cl ZINC000001136882 520917102 /nfs/dbraw/zinc/91/71/02/520917102.db2.gz NKUYOIPRSNMWJB-UHFFFAOYSA-N 0 0 428.838 4.846 50 0 IJAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000015413054 521034325 /nfs/dbraw/zinc/03/43/25/521034325.db2.gz VHELYVGPMALRQI-RUZDIDTESA-N 0 0 430.504 4.523 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021856875 521040671 /nfs/dbraw/zinc/04/06/71/521040671.db2.gz AAFASKBIUVQODX-AREMUKBSSA-N 0 0 431.536 4.518 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482084 521041841 /nfs/dbraw/zinc/04/18/41/521041841.db2.gz CHXQJAYQANNLBZ-XMMPIXPASA-N 0 0 437.565 4.579 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000020559347 521071305 /nfs/dbraw/zinc/07/13/05/521071305.db2.gz BNPPUGGRMOQKIJ-FQEVSTJZSA-N 0 0 443.931 4.561 50 0 IJAARN CCOc1ccc(NC(=O)N[C@H](Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948894 521097057 /nfs/dbraw/zinc/09/70/57/521097057.db2.gz GWODOTSSVKWRCI-OAQYLSRUSA-N 0 0 436.483 4.929 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168791 521110640 /nfs/dbraw/zinc/11/06/40/521110640.db2.gz GQWYGMCLTPREKV-SFHVURJKSA-N 0 0 434.565 4.882 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN(C)[C@@H](C)c3ccccc3)cc2)cc1 ZINC000012687252 521117567 /nfs/dbraw/zinc/11/75/67/521117567.db2.gz LFGKMSYHEGZBCU-IBGZPJMESA-N 0 0 431.536 4.969 50 0 IJAARN CCOc1ccc(Oc2ccccc2NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012930513 521183301 /nfs/dbraw/zinc/18/33/01/521183301.db2.gz FHOIXBDPZBEREU-UHFFFAOYSA-N 0 0 429.476 4.685 50 0 IJAARN CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1 ZINC000015476146 521184029 /nfs/dbraw/zinc/18/40/29/521184029.db2.gz VITLKMHNLWDNKX-QGZVFWFLSA-N 0 0 431.492 4.663 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936384 521254636 /nfs/dbraw/zinc/25/46/36/521254636.db2.gz MZBCUEHGBGVCPE-SCLBCKFNSA-N 0 0 440.956 4.859 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3F)sc2c1 ZINC000021660932 521298499 /nfs/dbraw/zinc/29/84/99/521298499.db2.gz SETJKXDVYDXLGI-HNNXBMFYSA-N 0 0 440.475 4.941 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CC[C@@H](C)C3 ZINC000035866430 521314029 /nfs/dbraw/zinc/31/40/29/521314029.db2.gz JLKQCZHBQWTBPK-MRXNPFEDSA-N 0 0 426.630 4.607 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2cccc(N(C)C)c2)c1C ZINC000015862454 521383715 /nfs/dbraw/zinc/38/37/15/521383715.db2.gz SQEWKZQAGPJMLE-UHFFFAOYSA-N 0 0 433.552 4.717 50 0 IJAARN CCCc1cc([C@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1 ZINC000021719190 521386171 /nfs/dbraw/zinc/38/61/71/521386171.db2.gz VQLYKOIJQSPQDQ-QGZVFWFLSA-N 0 0 433.434 4.543 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)C2CC2)c(C)n1CC ZINC000036004905 521388209 /nfs/dbraw/zinc/38/82/09/521388209.db2.gz XJRDCQWCNLXFJX-INIZCTEOSA-N 0 0 444.959 4.831 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000021155324 521408662 /nfs/dbraw/zinc/40/86/62/521408662.db2.gz VGDDSEVFEDSWIM-UHFFFAOYSA-N 0 0 448.592 4.728 50 0 IJAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C ZINC000012247518 521418112 /nfs/dbraw/zinc/41/81/12/521418112.db2.gz VKMAIZWGIUVZMG-UHFFFAOYSA-N 0 0 432.553 4.572 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)c(C)o1 ZINC000012415505 521441539 /nfs/dbraw/zinc/44/15/39/521441539.db2.gz MFJDZFWRQKFJFX-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN CCOc1ccccc1C(=O)NCCc1sc2nc(-c3ccc(Cl)cc3)nn2c1C ZINC000035449232 521459042 /nfs/dbraw/zinc/45/90/42/521459042.db2.gz MJKOPKUOOKGBSF-UHFFFAOYSA-N 0 0 440.956 4.791 50 0 IJAARN CCN(c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1)C(C)C ZINC000012555649 521488103 /nfs/dbraw/zinc/48/81/03/521488103.db2.gz BKIFEWUZDSQLPE-QJOMJCCJSA-N 0 0 442.523 4.805 50 0 IJAARN CCC(CC)C(=O)NCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000033320983 521496290 /nfs/dbraw/zinc/49/62/90/521496290.db2.gz QJZJHYOSUDDPPJ-UHFFFAOYSA-N 0 0 426.948 4.574 50 0 IJAARN CCC(CC)C(=O)Nc1ccc2nc(SCc3cc(=O)n4oc(C)cc4n3)sc2c1 ZINC000020984469 521502575 /nfs/dbraw/zinc/50/25/75/521502575.db2.gz IJSUFXOEEFBAQS-UHFFFAOYSA-N 0 0 442.566 4.873 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000020726052 521510485 /nfs/dbraw/zinc/51/04/85/521510485.db2.gz NVWPXMXHYBLFHO-GOSISDBHSA-N 0 0 438.871 4.552 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000035766462 521533306 /nfs/dbraw/zinc/53/33/06/521533306.db2.gz LTLBHUKNEDZUFT-UHFFFAOYSA-N 0 0 433.552 4.739 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccccc2[C@@H](C)CC)C1 ZINC000032960945 521553732 /nfs/dbraw/zinc/55/37/32/521553732.db2.gz XWASFGNBWZOBTF-FPOVZHCZSA-N 0 0 449.595 4.739 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445856 521573309 /nfs/dbraw/zinc/57/33/09/521573309.db2.gz OMANPMKCCGHYRA-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN CCCn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012801183 521633202 /nfs/dbraw/zinc/63/32/02/521633202.db2.gz BAAURCSICZJFIS-ASXFNGKXSA-N 0 0 439.625 4.620 50 0 IJAARN CCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc2c1=O ZINC000012555753 521633939 /nfs/dbraw/zinc/63/39/39/521633939.db2.gz LEORRJXAQXTCIK-UHFFFAOYSA-N 0 0 437.352 4.548 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000035769887 521686632 /nfs/dbraw/zinc/68/66/32/521686632.db2.gz XYCRMCOGXMQEIR-GOSISDBHSA-N 0 0 435.586 4.999 50 0 IJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCC)=C1C ZINC000035709997 521700346 /nfs/dbraw/zinc/70/03/46/521700346.db2.gz KJWKZTSJTDWYIF-NRFANRHFSA-N 0 0 427.545 4.519 50 0 IJAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035978196 521739530 /nfs/dbraw/zinc/73/95/30/521739530.db2.gz VNFRPYPHDGOXDA-JOCHJYFZSA-N 0 0 448.567 4.938 50 0 IJAARN CCc1cccc(NC(=O)CN2c3cc(C(=O)OC)ccc3Sc3ccccc3C2=O)c1 ZINC000015784988 521750301 /nfs/dbraw/zinc/75/03/01/521750301.db2.gz QJXXQSWPCAMGGE-UHFFFAOYSA-N 0 0 446.528 4.786 50 0 IJAARN CCc1cccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035399644 521755201 /nfs/dbraw/zinc/75/52/01/521755201.db2.gz CFRBVOVEPOGMQB-UHFFFAOYSA-N 0 0 436.515 4.601 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(-c4noc(C5CCC5)n4)c3)C2)c1 ZINC000021885307 521766699 /nfs/dbraw/zinc/76/66/99/521766699.db2.gz JWGZRSXQFFFEDY-IBGZPJMESA-N 0 0 430.508 4.558 50 0 IJAARN CCc1cccc2c([C@H](CC(=O)N3CCC4(CC3)OCCO4)c3ccc(C)cc3)c[nH]c21 ZINC000035888875 521794709 /nfs/dbraw/zinc/79/47/09/521794709.db2.gz APWZCONGIMGBCW-HSZRJFAPSA-N 0 0 432.564 4.926 50 0 IJAARN CC[C@@H](C(=O)NCCc1ccccc1Cl)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020413588 521842584 /nfs/dbraw/zinc/84/25/84/521842584.db2.gz XFCFIHDCYKRLPO-SFHVURJKSA-N 0 0 439.968 4.883 50 0 IJAARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1=O ZINC000022131461 521855421 /nfs/dbraw/zinc/85/54/21/521855421.db2.gz QBROJNULWLFTNA-GOSISDBHSA-N 0 0 430.533 4.617 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccccc1 ZINC000034681013 521867378 /nfs/dbraw/zinc/86/73/78/521867378.db2.gz CEHYRILDNDCSNR-OAQYLSRUSA-N 0 0 448.592 4.628 50 0 IJAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N3CCC(C)CC3)sc21 ZINC000035533245 521877803 /nfs/dbraw/zinc/87/78/03/521877803.db2.gz PQTBXLVZZUCSOW-UHFFFAOYSA-N 0 0 427.599 4.616 50 0 IJAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936539 521895741 /nfs/dbraw/zinc/89/57/41/521895741.db2.gz OCKVHECTASETMD-YSSFQJQWSA-N 0 0 434.565 4.842 50 0 IJAARN COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O ZINC000012590982 521937746 /nfs/dbraw/zinc/93/77/46/521937746.db2.gz NFHBXSDMIQCINC-VUQUXZKVSA-N 0 0 443.805 4.657 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 ZINC000012874037 521987299 /nfs/dbraw/zinc/98/72/99/521987299.db2.gz RHPJKRPDQQQKDD-UHFFFAOYSA-N 0 0 425.488 4.946 50 0 IJAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936547 522008314 /nfs/dbraw/zinc/00/83/14/522008314.db2.gz OCKVHECTASETMD-RYGJVYDSSA-N 0 0 434.565 4.842 50 0 IJAARN COCCc1ccc(-c2csc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n2)cc1 ZINC000022142342 522009846 /nfs/dbraw/zinc/00/98/46/522009846.db2.gz PUJWIIHLWYDORN-IBGZPJMESA-N 0 0 435.549 4.529 50 0 IJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)o1 ZINC000002645372 522051050 /nfs/dbraw/zinc/05/10/50/522051050.db2.gz WYKYFOOHVYTPJY-UHFFFAOYSA-N 0 0 426.881 4.711 50 0 IJAARN CN(C)c1c(CN(CC2CC2)C(=O)NC(C)(C)C)c(C(F)(F)F)nn1-c1ccccc1 ZINC000035978073 522111071 /nfs/dbraw/zinc/11/10/71/522111071.db2.gz BFUKDHFLIZJBTL-UHFFFAOYSA-N 0 0 437.510 4.677 50 0 IJAARN COc1cc(C(=O)NC[C@H](c2ccco2)N(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000012780656 522120065 /nfs/dbraw/zinc/12/00/65/522120065.db2.gz YOOFNUVEJPCBQC-LJQANCHMSA-N 0 0 428.916 4.553 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc(Cl)c1OC ZINC000012855060 522156062 /nfs/dbraw/zinc/15/60/62/522156062.db2.gz HSUVAONMPGCTSA-UHFFFAOYSA-N 0 0 442.821 4.977 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)ncn3[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000012401959 522157929 /nfs/dbraw/zinc/15/79/29/522157929.db2.gz SXDIOBPXUNFYTO-INIZCTEOSA-N 0 0 431.492 4.924 50 0 IJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012196677 522174539 /nfs/dbraw/zinc/17/45/39/522174539.db2.gz NZBTVZASNQQZPX-WIOPSUGQSA-N 0 0 444.487 4.733 50 0 IJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000022558326 522500179 /nfs/dbraw/zinc/50/01/79/522500179.db2.gz OXXZRHVUQREOMB-SFHVURJKSA-N 0 0 426.520 4.728 50 0 IJAARN CC[C@@H](NC(=O)CCc1c(C)nc(SCc2ccccc2)[nH]c1=O)c1ccc(C)cc1 ZINC000012814264 522679098 /nfs/dbraw/zinc/67/90/98/522679098.db2.gz BUFRVRLXUOVNKJ-JOCHJYFZSA-N 0 0 435.593 4.879 50 0 IJAARN COc1cc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000012344058 522688542 /nfs/dbraw/zinc/68/85/42/522688542.db2.gz ZOLPZIAQZNXQLX-OAQYLSRUSA-N 0 0 441.915 4.804 50 0 IJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccc(Br)c(C)c3)c3ccccc23)o1 ZINC000035422989 522721317 /nfs/dbraw/zinc/72/13/17/522721317.db2.gz SJOMWIYKYVQULM-UHFFFAOYSA-N 0 0 439.313 4.963 50 0 IJAARN COc1cc(OC)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1Cl ZINC000012525748 522802408 /nfs/dbraw/zinc/80/24/08/522802408.db2.gz BRODQWFHWSNNDD-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1cc(OC)cc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020228099 522855209 /nfs/dbraw/zinc/85/52/09/522855209.db2.gz VQTFJPQJMUTAHZ-OAQYLSRUSA-N 0 0 449.894 4.927 50 0 IJAARN COc1cc(OC)cc(C2=N/C(=C/c3ccc(OC)c(OCc4ccccc4)c3)C(=O)O2)c1 ZINC000035045407 522859943 /nfs/dbraw/zinc/85/99/43/522859943.db2.gz LZPQBTWKOUUHGO-SSDVNMTOSA-N 0 0 445.471 4.636 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021935905 522915648 /nfs/dbraw/zinc/91/56/48/522915648.db2.gz LFGNKUYENQRIQX-VQTJNVASSA-N 0 0 434.565 4.760 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)ccc1O ZINC000015106698 522926823 /nfs/dbraw/zinc/92/68/23/522926823.db2.gz TTZCXIHUEVXJTA-HNNXBMFYSA-N 0 0 426.469 4.636 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000021786061 523028580 /nfs/dbraw/zinc/02/85/80/523028580.db2.gz ITLQMIASOVDURB-INIZCTEOSA-N 0 0 445.566 4.609 50 0 IJAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)N[C@@H](C)C(C)(C)C)c3ccccc3n1)CC2 ZINC000023436881 523033845 /nfs/dbraw/zinc/03/38/45/523033845.db2.gz UCSQXFBZXFNYKO-KRWDZBQOSA-N 0 0 447.579 4.979 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C)c1C)CC2 ZINC000012877649 523041727 /nfs/dbraw/zinc/04/17/27/523041727.db2.gz ICALRZLZVKOUGG-HHHXNRCGSA-N 0 0 430.548 4.907 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(Cl)nc1)CC2 ZINC000023437087 523048099 /nfs/dbraw/zinc/04/80/99/523048099.db2.gz VDHAMPQRTVLRSH-QFIPXVFZSA-N 0 0 426.875 4.679 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(NC(C)=O)s1)CC2 ZINC000012928558 523050354 /nfs/dbraw/zinc/05/03/54/523050354.db2.gz GQZOZDRVKAXZIN-OAQYLSRUSA-N 0 0 442.562 4.573 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1C ZINC000021935902 523078359 /nfs/dbraw/zinc/07/83/59/523078359.db2.gz LFGNKUYENQRIQX-WOJBJXKFSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000012874592 523084533 /nfs/dbraw/zinc/08/45/33/523084533.db2.gz NIKSZDVFRSBKAH-OXQOHEQNSA-N 0 0 448.548 4.812 50 0 IJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)no2)cc1OC ZINC000036019117 523109579 /nfs/dbraw/zinc/10/95/79/523109579.db2.gz RCUAKESQNYQZJX-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN COc1ccc(-c2ccc(C(=O)NC[C@H]3Cc4cccc(-c5ccncc5)c4O3)o2)cc1 ZINC000012248015 523132098 /nfs/dbraw/zinc/13/20/98/523132098.db2.gz IGHLRSSRBMDBQP-OAQYLSRUSA-N 0 0 426.472 4.751 50 0 IJAARN COc1ccc(-c2coc3cc(OC(=O)c4c(OC)cccc4OC)ccc3c2=O)cc1 ZINC000002157743 523158150 /nfs/dbraw/zinc/15/81/50/523158150.db2.gz YXFFMCCVVBFNGF-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN COc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000012520809 523186468 /nfs/dbraw/zinc/18/64/68/523186468.db2.gz QRRMBVRXWPKADO-DEOSSOPVSA-N 0 0 426.476 4.865 50 0 IJAARN COCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000035774356 523236729 /nfs/dbraw/zinc/23/67/29/523236729.db2.gz PEPJAINDZYDDKL-UHFFFAOYSA-N 0 0 448.604 4.636 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccsc2)cc1OC ZINC000021558232 523242627 /nfs/dbraw/zinc/24/26/27/523242627.db2.gz DPECXLBCELPQME-UHFFFAOYSA-N 0 0 433.533 4.890 50 0 IJAARN COc1ccc(-c2nn(Cc3nc(-c4ccc(C)cc4)oc3C)c(=O)c3noc(C)c32)cc1 ZINC000021883151 523247467 /nfs/dbraw/zinc/24/74/67/523247467.db2.gz QLBHMEVAIGNKIB-UHFFFAOYSA-N 0 0 442.475 4.689 50 0 IJAARN COCCCN(Cc1cc2ccc(SC)cc2nc1N(C)C)C(=O)c1cccc(F)c1 ZINC000020601731 523263216 /nfs/dbraw/zinc/26/32/16/523263216.db2.gz IRRLQOCUSZJOFC-UHFFFAOYSA-N 0 0 441.572 4.841 50 0 IJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c(OC)c1 ZINC000263615106 523273087 /nfs/dbraw/zinc/27/30/87/523273087.db2.gz AOWKTIPMVCSUSK-HXUWFJFHSA-N 0 0 438.871 4.542 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000015279747 523338685 /nfs/dbraw/zinc/33/86/85/523338685.db2.gz SKZBFEDITFRNLD-UHFFFAOYSA-N 0 0 426.472 4.971 50 0 IJAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1OC ZINC000012706130 523476545 /nfs/dbraw/zinc/47/65/45/523476545.db2.gz WCJJWBATJNVLOO-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)C3CC3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035873225 523605306 /nfs/dbraw/zinc/60/53/06/523605306.db2.gz WFXIWHZFUIVXLD-IBGZPJMESA-N 0 0 432.442 4.754 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883985 523606075 /nfs/dbraw/zinc/60/60/75/523606075.db2.gz DGYLOORRAYQWDB-QFIPXVFZSA-N 0 0 436.458 4.917 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccc(OC)c3)cc2CN(Cc2ccccc2)C1=O ZINC000035873040 523606238 /nfs/dbraw/zinc/60/62/38/523606238.db2.gz SDNJILXYWWIGHH-QHCPKHFHSA-N 0 0 430.504 4.647 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909475 523606560 /nfs/dbraw/zinc/60/65/60/523606560.db2.gz QMWASYLPPOLJRC-QFIPXVFZSA-N 0 0 436.458 4.917 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)c2ccccc12 ZINC000012801013 523639681 /nfs/dbraw/zinc/63/96/81/523639681.db2.gz WFGKAIZWJPSOMF-MJGOQNOKSA-N 0 0 434.511 4.717 50 0 IJAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000012915806 523644038 /nfs/dbraw/zinc/64/40/38/523644038.db2.gz WMFIWVSYHFVJAI-UHFFFAOYSA-N 0 0 447.944 4.703 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(=O)C(C)C ZINC000035976195 523737036 /nfs/dbraw/zinc/73/70/36/523737036.db2.gz LFGZYLWEOPZMQH-UHFFFAOYSA-N 0 0 443.494 4.882 50 0 IJAARN COCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035944530 523739474 /nfs/dbraw/zinc/73/94/74/523739474.db2.gz VAKVFFXNDIGLDL-UHFFFAOYSA-N 0 0 445.991 4.679 50 0 IJAARN COc1ccc(C(=O)Nc2c(S(=O)(=O)c3ccc(F)cc3)c(C)c(C)n2C(C)C)cc1 ZINC000012321298 523741181 /nfs/dbraw/zinc/74/11/81/523741181.db2.gz ZASRFXFZGRCCNE-UHFFFAOYSA-N 0 0 444.528 4.919 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000012418085 523743950 /nfs/dbraw/zinc/74/39/50/523743950.db2.gz XIEANIJBMXCTAL-OKILXGFUSA-N 0 0 438.446 4.589 50 0 IJAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc2OC)cc1 ZINC000032998344 523744605 /nfs/dbraw/zinc/74/46/05/523744605.db2.gz WMILKDPLGSPLPD-UHFFFAOYSA-N 0 0 445.475 4.698 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5cccc(Cl)c54)C3)cc2)cc1 ZINC000012420415 523751157 /nfs/dbraw/zinc/75/11/57/523751157.db2.gz HOSWZHLSEIBSDO-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN CC[C@H](C(=O)Nc1cc(C)ccc1C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563775 523797353 /nfs/dbraw/zinc/79/73/53/523797353.db2.gz KCVDKESLLRIYJE-JOCHJYFZSA-N 0 0 443.551 4.714 50 0 IJAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCc1nc(C(C)(C)C)no1 ZINC000012769338 523799813 /nfs/dbraw/zinc/79/98/13/523799813.db2.gz XQCXRNXOSURHCZ-UHFFFAOYSA-N 0 0 436.537 4.676 50 0 IJAARN CN1CCCN(C(=O)c2ccc(SCc3cscn3)cc2)c2nc3ccccc3nc21 ZINC000012750029 523804370 /nfs/dbraw/zinc/80/43/70/523804370.db2.gz YQLGLNWBCCGZAA-UHFFFAOYSA-N 0 0 447.589 4.865 50 0 IJAARN CC[C@H](C(=O)Nc1nnc(SCc2cc(OC)cc(OC)c2)s1)c1ccccc1 ZINC000035924423 523805671 /nfs/dbraw/zinc/80/56/71/523805671.db2.gz YQQJHJOSJJEVQI-SFHVURJKSA-N 0 0 429.567 4.980 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)cc(C)c2)[C@H]1c1ccccc1 ZINC000034927895 523809777 /nfs/dbraw/zinc/80/97/77/523809777.db2.gz ZFJPIRWEMLXUGT-JWQCQUIFSA-N 0 0 428.532 4.869 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000021822210 523837273 /nfs/dbraw/zinc/83/72/73/523837273.db2.gz QJRPQIFOPUODFD-AREMUKBSSA-N 0 0 429.564 4.501 50 0 IJAARN CN(C(=O)CSc1nnc(-c2cccs2)n1C)C(c1ccccc1)c1ccccc1 ZINC000012852517 523842101 /nfs/dbraw/zinc/84/21/01/523842101.db2.gz FTFLZHBHMFCTRG-UHFFFAOYSA-N 0 0 434.590 4.884 50 0 IJAARN CCc1cc2c(nc(S[C@@H](C)c3nc(C(C)(C)C)no3)n(CCCOC)c2=O)s1 ZINC000012922944 523846468 /nfs/dbraw/zinc/84/64/68/523846468.db2.gz DGNKMKPTUCYOJW-LBPRGKRZSA-N 0 0 436.603 4.591 50 0 IJAARN CCc1cc2c(ncnc2N2CCC(C(=O)N3CCCC[C@@H]3c3cccnc3)CC2)s1 ZINC000021716300 523848167 /nfs/dbraw/zinc/84/81/67/523848167.db2.gz RLHNXJVOKZIYOT-OAQYLSRUSA-N 0 0 435.597 4.619 50 0 IJAARN COCCN1c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2Sc2ccccc2C1=O ZINC000021355400 523888649 /nfs/dbraw/zinc/88/86/49/523888649.db2.gz VAYNJOVWCUJBAL-QGZVFWFLSA-N 0 0 448.544 4.850 50 0 IJAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccc(C)cc3)cs2)cc1OC ZINC000012441913 523907795 /nfs/dbraw/zinc/90/77/95/523907795.db2.gz RUPGFOMVMXAPHR-UHFFFAOYSA-N 0 0 448.548 4.811 50 0 IJAARN COc1ccc(CCC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000012860130 523919502 /nfs/dbraw/zinc/91/95/02/523919502.db2.gz WZMFGZWADUQDQK-VWLOTQADSA-N 0 0 437.561 4.881 50 0 IJAARN COc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CC[C@@H](C)C4)cc1OC ZINC000020557684 523954380 /nfs/dbraw/zinc/95/43/80/523954380.db2.gz WZIJKTSGHMXMQI-CQSZACIVSA-N 0 0 429.607 4.837 50 0 IJAARN COc1ccc(CCNC(=O)C[C@]2(c3ccccc3C)CCOC(C)(C)C2)cc1OC ZINC000012323200 523961266 /nfs/dbraw/zinc/96/12/66/523961266.db2.gz OYMTZSMJSQASMI-AREMUKBSSA-N 0 0 425.569 4.588 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000035912518 523961774 /nfs/dbraw/zinc/96/17/74/523961774.db2.gz NSUMSVGTEBNJPP-HSZRJFAPSA-N 0 0 438.574 4.828 50 0 IJAARN CCc1ccc(NC(=O)C[C@@H](c2ccc(OC)c(OC)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020561095 523975649 /nfs/dbraw/zinc/97/56/49/523975649.db2.gz VJEBFEVZYPBSFU-QHCPKHFHSA-N 0 0 444.531 4.992 50 0 IJAARN COc1ccc(CCN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000020988566 523977377 /nfs/dbraw/zinc/97/73/77/523977377.db2.gz YOTWSBOMHJGUKF-QHCPKHFHSA-N 0 0 433.483 4.815 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156792 523986504 /nfs/dbraw/zinc/98/65/04/523986504.db2.gz UKMXBNULGXKWJS-UHFFFAOYSA-N 0 0 428.492 4.788 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000021708443 523986780 /nfs/dbraw/zinc/98/67/80/523986780.db2.gz DXSPWNBEZXIFNP-UHFFFAOYSA-N 0 0 435.549 4.953 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036017800 523988802 /nfs/dbraw/zinc/98/88/02/523988802.db2.gz UOSQQGJMLHBBSB-DWJZSQRESA-N 0 0 427.372 4.656 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242751 523999519 /nfs/dbraw/zinc/99/95/19/523999519.db2.gz ABOJIZFHQHAQOD-NMEJYPJZSA-N 0 0 432.545 4.542 50 0 IJAARN COc1ccc(CN2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 ZINC000021661371 524019651 /nfs/dbraw/zinc/01/96/51/524019651.db2.gz JYZJOYVJSZYZDX-UHFFFAOYSA-N 0 0 442.924 4.680 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4cccc(F)c4)cc3)C2=O)cc1 ZINC000037545167 524026226 /nfs/dbraw/zinc/02/62/26/524026226.db2.gz UNZAKOTXISKRNZ-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)cc1Br ZINC000015987910 524031240 /nfs/dbraw/zinc/03/12/40/524031240.db2.gz WGYHAKIXWYPBTA-UHFFFAOYSA-N 0 0 439.353 4.569 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1OC ZINC000022503236 524061800 /nfs/dbraw/zinc/06/18/00/524061800.db2.gz SPWJWNWDIAKINM-UHFFFAOYSA-N 0 0 445.519 4.619 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(C)cc2)cc1OC ZINC000021361532 524065185 /nfs/dbraw/zinc/06/51/85/524065185.db2.gz GOPDRGUHUWUDBJ-UHFFFAOYSA-N 0 0 443.503 4.676 50 0 IJAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cc(C)nc(C)n4)C3)c2)c1 ZINC000012583266 524110210 /nfs/dbraw/zinc/11/02/10/524110210.db2.gz PWMLKKCAOKYLIJ-JOCHJYFZSA-N 0 0 428.536 4.560 50 0 IJAARN Cc1cccc(-c2ncc(C(=O)NCCc3ccccn3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988709 524122620 /nfs/dbraw/zinc/12/26/20/524122620.db2.gz XXXRGMDWXMARBV-UHFFFAOYSA-N 0 0 429.568 4.588 50 0 IJAARN Cc1cccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)CC(C)(C)C)s2)c1 ZINC000035723842 524126397 /nfs/dbraw/zinc/12/63/97/524126397.db2.gz PDMUMEUUWKZNCJ-IBGZPJMESA-N 0 0 436.581 4.616 50 0 IJAARN COc1cccc([C@@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928089 524131686 /nfs/dbraw/zinc/13/16/86/524131686.db2.gz IWEQWINGJNXZAC-LOSJGSFVSA-N 0 0 444.506 4.594 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000012867836 524134517 /nfs/dbraw/zinc/13/45/17/524134517.db2.gz GVVZIDYHXMRMCO-UHFFFAOYSA-N 0 0 440.897 4.521 50 0 IJAARN Cc1cccc(-n2c(S[C@H](C)C(=O)N(C)C3CCCCC3)nc3ccccc3c2=O)c1 ZINC000002652884 524140793 /nfs/dbraw/zinc/14/07/93/524140793.db2.gz QISNBUFXGTZXFK-GOSISDBHSA-N 0 0 435.593 4.966 50 0 IJAARN Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 ZINC000021100195 524150499 /nfs/dbraw/zinc/15/04/99/524150499.db2.gz XBYRYZYXUAMXKM-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000020617104 524155461 /nfs/dbraw/zinc/15/54/61/524155461.db2.gz UQAYBSFPQKZGSP-COOPMVRXSA-N 0 0 435.430 4.700 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccccc2)c1 ZINC000012623342 524156057 /nfs/dbraw/zinc/15/60/57/524156057.db2.gz QHFCOQCDHYWXLB-XMMPIXPASA-N 0 0 427.456 4.947 50 0 IJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5nc6ccccc6s5)c4ncn3n2)cc1 ZINC000015842390 524164577 /nfs/dbraw/zinc/16/45/77/524164577.db2.gz RYHGSUWGPQZTSL-UHFFFAOYSA-N 0 0 440.532 4.894 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000021809247 524170305 /nfs/dbraw/zinc/17/03/05/524170305.db2.gz FYYYOKPPEHWTGJ-QDOIMOTRSA-N 0 0 441.622 4.874 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492815 524221102 /nfs/dbraw/zinc/22/11/02/524221102.db2.gz CKJLDMWISVBIEO-UHFFFAOYSA-N 0 0 440.906 4.800 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000035949383 524231219 /nfs/dbraw/zinc/23/12/19/524231219.db2.gz BSYLZAVMNGYKEI-XMMPIXPASA-N 0 0 435.543 4.769 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(OCCC(C)C)c1)N(CCCO)C3=O ZINC000016752887 524353167 /nfs/dbraw/zinc/35/31/67/524353167.db2.gz JMPKXGGAOWKXES-HSZRJFAPSA-N 0 0 449.547 4.762 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000012792542 524357371 /nfs/dbraw/zinc/35/73/71/524357371.db2.gz XXANZJJSHIXPHK-IYBDPMFKSA-N 0 0 445.357 4.870 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccc(F)cc2)C1 ZINC000035839244 524373522 /nfs/dbraw/zinc/37/35/22/524373522.db2.gz RILKWGNTOHLQBF-OAQYLSRUSA-N 0 0 436.458 4.809 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2ccccc2F)[C@@H]1C ZINC000020679849 524396855 /nfs/dbraw/zinc/39/68/55/524396855.db2.gz CMDXPQYOCAAKAJ-PWHSHALESA-N 0 0 441.616 4.643 50 0 IJAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020903227 524398958 /nfs/dbraw/zinc/39/89/58/524398958.db2.gz VYCPUVJAWXFOGB-MHZLTWQESA-N 0 0 445.563 4.908 50 0 IJAARN Cc1cc(C)cc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000021104091 524424654 /nfs/dbraw/zinc/42/46/54/524424654.db2.gz RRGTWYJJWRVHKQ-UHFFFAOYSA-N 0 0 431.515 4.988 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c(C)c1 ZINC000011878997 524482457 /nfs/dbraw/zinc/48/24/57/524482457.db2.gz MBQYHFLOHXEIHC-IBGZPJMESA-N 0 0 433.552 4.685 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983967 524482940 /nfs/dbraw/zinc/48/29/40/524482940.db2.gz NSWVRBXYFILKAE-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccc(F)cc2)cc1 ZINC000015860605 524503719 /nfs/dbraw/zinc/50/37/19/524503719.db2.gz VHQWBJSFHXPORA-UHFFFAOYSA-N 0 0 448.523 4.787 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000034928009 524603351 /nfs/dbraw/zinc/60/33/51/524603351.db2.gz KVBCJGBZSGDJGG-RPBOFIJWSA-N 0 0 442.515 4.786 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)c(OC)c1 ZINC000012249676 524661104 /nfs/dbraw/zinc/66/11/04/524661104.db2.gz DRRUPUJJHURWQS-UHFFFAOYSA-N 0 0 449.488 4.544 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2n[nH]c(-c3cccs3)n2)c1 ZINC000012620146 524661824 /nfs/dbraw/zinc/66/18/24/524661824.db2.gz QYJZLQLZVKDOEH-UHFFFAOYSA-N 0 0 449.561 4.825 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cc(F)ccc4C)CC3=O)c2)c1 ZINC000033308657 524662682 /nfs/dbraw/zinc/66/26/82/524662682.db2.gz UPPRXQKDYZEBIU-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ccccc2n1CCC(C)C ZINC000012519897 524671291 /nfs/dbraw/zinc/67/12/91/524671291.db2.gz HWMHHYITYJMMRJ-UHFFFAOYSA-N 0 0 440.569 4.780 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021290589 524743798 /nfs/dbraw/zinc/74/37/98/524743798.db2.gz HSZSQSHRULLKSD-UHFFFAOYSA-N 0 0 432.904 4.770 50 0 IJAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 ZINC000012848978 524762543 /nfs/dbraw/zinc/76/25/43/524762543.db2.gz WCPXDXZNZDZBFN-HKUYNNGSSA-N 0 0 448.420 4.621 50 0 IJAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3cccs3)c2N1 ZINC000012847708 524762898 /nfs/dbraw/zinc/76/28/98/524762898.db2.gz DABBBHFHQJBZRB-DOTOQJQBSA-N 0 0 436.459 4.544 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)NC3CCCCCC3)c2=O)cc1 ZINC000033006725 524771176 /nfs/dbraw/zinc/77/11/76/524771176.db2.gz LIXWZVLTCZYFIB-UHFFFAOYSA-N 0 0 435.593 4.684 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)c(C)c2)c1 ZINC000020855765 524833808 /nfs/dbraw/zinc/83/38/08/524833808.db2.gz JLHZSJUMQJQIMA-UHFFFAOYSA-N 0 0 444.535 4.601 50 0 IJAARN Cc1cccc([C@@H]2c3cc(O[C@H](C)C(=O)NC4CC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717085 524856698 /nfs/dbraw/zinc/85/66/98/524856698.db2.gz UGOLEMFPFBEWEN-NIYFSFCBSA-N 0 0 446.591 4.705 50 0 IJAARN COc1ccc(OC)c(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016944489 524873593 /nfs/dbraw/zinc/87/35/93/524873593.db2.gz WPOFVDWHJSHXEU-UHFFFAOYSA-N 0 0 430.512 4.931 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C ZINC000021811262 524931897 /nfs/dbraw/zinc/93/18/97/524931897.db2.gz WFUONMGBGYEQAI-ZZTRNUCDSA-N 0 0 433.552 4.965 50 0 IJAARN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)Nc3ccc(OC)cc3)c2)n1 ZINC000037385138 524958635 /nfs/dbraw/zinc/95/86/35/524958635.db2.gz AILMATBXTICFSI-UHFFFAOYSA-N 0 0 445.479 4.604 50 0 IJAARN C[C@H](NC(=O)CN1c2ccccc2Sc2ncccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000020603473 524960662 /nfs/dbraw/zinc/96/06/62/524960662.db2.gz AIHMDCWBIYSFNA-BTVKBFDZSA-N 0 0 447.604 4.914 50 0 IJAARN Cc1ccc(N2CCN(C(=O)c3ccc4nnc(-c5ccc(Cl)cc5)n4c3)CC2)c(C)c1 ZINC000033261890 524961242 /nfs/dbraw/zinc/96/12/42/524961242.db2.gz DGARZZNJJKQNQJ-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)nn1 ZINC000035397987 525005367 /nfs/dbraw/zinc/00/53/67/525005367.db2.gz UGKKSURFTZZABZ-JTHBVZDNSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)c3cccc(F)c3)s2)o1 ZINC000021359138 525014798 /nfs/dbraw/zinc/01/47/98/525014798.db2.gz VEILKSAILOVRDW-UHFFFAOYSA-N 0 0 427.486 4.580 50 0 IJAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)c3nn(C)c4ccccc43)cc2)o1 ZINC000033308360 525015158 /nfs/dbraw/zinc/01/51/58/525015158.db2.gz NQJYWSXNUYTOLO-UHFFFAOYSA-N 0 0 439.475 4.763 50 0 IJAARN Cc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000036038728 525029867 /nfs/dbraw/zinc/02/98/67/525029867.db2.gz BNJAFZROCGSDPB-UHFFFAOYSA-N 0 0 432.593 4.854 50 0 IJAARN COc1ncccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000012583929 525034643 /nfs/dbraw/zinc/03/46/43/525034643.db2.gz NZIWTVAFDAYDBE-NRFANRHFSA-N 0 0 429.520 4.557 50 0 IJAARN Cc1ccccc1C(=O)N1C[C@H](C(=O)NCC(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036041912 525049131 /nfs/dbraw/zinc/04/91/31/525049131.db2.gz XEDAHWAEKGQJAF-RTWAWAEBSA-N 0 0 432.486 4.642 50 0 IJAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc2O1 ZINC000041158104 525052058 /nfs/dbraw/zinc/05/20/58/525052058.db2.gz JRYBBWKNIYNLKD-OAHLLOKOSA-N 0 0 442.924 4.569 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)cc1 ZINC000035534103 525083410 /nfs/dbraw/zinc/08/34/10/525083410.db2.gz RVROECPGUNSJAG-UHFFFAOYSA-N 0 0 435.578 4.762 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc4ccccc4c3O)cs2)cc1 ZINC000021285099 525096837 /nfs/dbraw/zinc/09/68/37/525096837.db2.gz SHUXRJJUPPEROY-UHFFFAOYSA-N 0 0 432.501 4.849 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3ccccc3F)cs2)cc1 ZINC000009730911 525097602 /nfs/dbraw/zinc/09/76/02/525097602.db2.gz ZHKBSEGFLUCQGR-UHFFFAOYSA-N 0 0 439.541 4.645 50 0 IJAARN Cc1cc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441730 525102241 /nfs/dbraw/zinc/10/22/41/525102241.db2.gz SMNKOMJYVSKOQZ-CSKARUKUSA-N 0 0 430.489 4.685 50 0 IJAARN C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cc2ccccc2o1 ZINC000022316853 525118983 /nfs/dbraw/zinc/11/89/83/525118983.db2.gz ZLVYSXRCWPYUPW-GFCCVEGCSA-N 0 0 431.366 4.814 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1F ZINC000033113527 525126581 /nfs/dbraw/zinc/12/65/81/525126581.db2.gz AEUBESYQBIUBCX-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021869093 525135462 /nfs/dbraw/zinc/13/54/62/525135462.db2.gz HWUBQJDTAWRWPN-MUUNZHRXSA-N 0 0 441.575 4.937 50 0 IJAARN CS(=O)(=O)N1CCc2cc(-c3csc(-c4ccc(Br)cc4)n3)ccc21 ZINC000012808839 525186227 /nfs/dbraw/zinc/18/62/27/525186227.db2.gz ZJPOYMGSUDETGZ-UHFFFAOYSA-N 0 0 435.368 4.562 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021810524 525198530 /nfs/dbraw/zinc/19/85/30/525198530.db2.gz HKWHMJRODZKSOY-AREMUKBSSA-N 0 0 433.552 4.531 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C2)cc1 ZINC000033308650 525199174 /nfs/dbraw/zinc/19/91/74/525199174.db2.gz MPZSQJRHSIXGCM-HXUWFJFHSA-N 0 0 427.504 4.547 50 0 IJAARN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012802553 525208785 /nfs/dbraw/zinc/20/87/85/525208785.db2.gz IRTOCSBJMUOGCI-SFHVURJKSA-N 0 0 429.564 4.900 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)C1 ZINC000012733741 525212222 /nfs/dbraw/zinc/21/22/22/525212222.db2.gz SDGFUFWKEUNECV-HZPDHXFCSA-N 0 0 438.553 4.719 50 0 IJAARN Cc1ccccc1NC(=O)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033266724 525233525 /nfs/dbraw/zinc/23/35/25/525233525.db2.gz VTYIGRTVPKPMCA-UHFFFAOYSA-N 0 0 429.499 4.699 50 0 IJAARN Cc1ccccc1NC(=O)CSc1ncnc2nc(N(C)Cc3ccccc3)sc21 ZINC000035534082 525242943 /nfs/dbraw/zinc/24/29/43/525242943.db2.gz ACUJWGFGSOAYQY-UHFFFAOYSA-N 0 0 435.578 4.762 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(OC)c1 ZINC000021788123 525270003 /nfs/dbraw/zinc/27/00/03/525270003.db2.gz BARYALKDWLIZJK-NRFANRHFSA-N 0 0 443.956 4.934 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012516938 525274366 /nfs/dbraw/zinc/27/43/66/525274366.db2.gz ZIPNPWIIEWELGJ-PXDATVDWSA-N 0 0 445.519 4.530 50 0 IJAARN CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2C2CCCCC2)c1 ZINC000012756582 525276300 /nfs/dbraw/zinc/27/63/00/525276300.db2.gz VDIJQKPCZVBDAR-UHFFFAOYSA-N 0 0 428.959 4.559 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cccnc2)c(F)c1 ZINC000012208854 525276524 /nfs/dbraw/zinc/27/65/24/525276524.db2.gz VYKVXGZMUWMGDQ-AREMUKBSSA-N 0 0 429.495 4.818 50 0 IJAARN Cc1ccc(NCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000021880770 525285717 /nfs/dbraw/zinc/28/57/17/525285717.db2.gz BFGAIXJWBLQJEB-UHFFFAOYSA-N 0 0 430.581 4.576 50 0 IJAARN COc1ccc([C@H](C)N(C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433550 525300228 /nfs/dbraw/zinc/30/02/28/525300228.db2.gz XTPYMCPVXCARFM-FQEVSTJZSA-N 0 0 434.584 4.861 50 0 IJAARN Cc1ccc(O)c(C(=O)c2cc(-c3nc4ccsc4c(=O)[nH]3)n(Cc3ccccc3)c2)c1 ZINC000012612109 525337622 /nfs/dbraw/zinc/33/76/22/525337622.db2.gz ZYHKMPCRIGHUSN-UHFFFAOYSA-N 0 0 441.512 4.746 50 0 IJAARN Cc1cc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)c2ccccc2)CC3)ccc1F ZINC000034758452 525388787 /nfs/dbraw/zinc/38/87/87/525388787.db2.gz JHVQAVMSBAGXPF-UHFFFAOYSA-N 0 0 432.499 4.515 50 0 IJAARN Cc1ccccc1[C@@H]1Nc2ccccc2-n2c(-c3ccccc3)c3c(c21)n(C)c(=O)n(C)c3=O ZINC000015834060 525396426 /nfs/dbraw/zinc/39/64/26/525396426.db2.gz GCJMJLGAERYFRK-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C ZINC000035445796 525459954 /nfs/dbraw/zinc/45/99/54/525459954.db2.gz DGUFDZPFOINCNB-HNNXBMFYSA-N 0 0 427.551 4.536 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000012528010 525534194 /nfs/dbraw/zinc/53/41/94/525534194.db2.gz WSBVOQZWYLMPOH-HSZRJFAPSA-N 0 0 435.549 4.530 50 0 IJAARN C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012558615 525574220 /nfs/dbraw/zinc/57/42/20/525574220.db2.gz FMVZUGCHTJDWQJ-GFCCVEGCSA-N 0 0 429.851 4.584 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc(C)c(F)c4)ccc3C)nc2c1 ZINC000033068101 525606415 /nfs/dbraw/zinc/60/64/15/525606415.db2.gz LHFXSKBBXPDGIB-UHFFFAOYSA-N 0 0 446.482 4.982 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885321 525609921 /nfs/dbraw/zinc/60/99/21/525609921.db2.gz YTJCFCWSOXVISW-HNNXBMFYSA-N 0 0 440.952 4.892 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(C1CCCC1)C3=O ZINC000020903209 525644239 /nfs/dbraw/zinc/64/42/39/525644239.db2.gz KJERNMAJMQZBTP-AREMUKBSSA-N 0 0 437.584 4.646 50 0 IJAARN Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)s1 ZINC000020986225 525651791 /nfs/dbraw/zinc/65/17/91/525651791.db2.gz LEUSVRNZSJLHAM-UHFFFAOYSA-N 0 0 435.593 4.865 50 0 IJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4)c3)cn2n1 ZINC000012441272 525655930 /nfs/dbraw/zinc/65/59/30/525655930.db2.gz MANNCQKOEREXAD-UHFFFAOYSA-N 0 0 443.290 4.729 50 0 IJAARN Cc1cc2ccccc2n1CC(=O)Nc1ccnn1Cc1cc(Br)cs1 ZINC000021599287 525657478 /nfs/dbraw/zinc/65/74/78/525657478.db2.gz NRHVKGKMWILAAV-UHFFFAOYSA-N 0 0 429.343 4.657 50 0 IJAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)c3cccc4ccccc43)cc(=O)n2o1 ZINC000035378663 525674165 /nfs/dbraw/zinc/67/41/65/525674165.db2.gz PDXXCURQKVPCAE-UHFFFAOYSA-N 0 0 439.471 4.889 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3cccc(C)c3C)cc(=O)n2o1 ZINC000035429404 525675256 /nfs/dbraw/zinc/67/52/56/525675256.db2.gz KDLVREVOJMXXDB-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3F)cc(=O)n2o1 ZINC000041089698 525676038 /nfs/dbraw/zinc/67/60/38/525676038.db2.gz ADWYAHGWLXZICM-UHFFFAOYSA-N 0 0 442.447 4.810 50 0 IJAARN COc1cccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc3)no2)c1 ZINC000036012312 525706036 /nfs/dbraw/zinc/70/60/36/525706036.db2.gz DSFSIYLHLWFXMD-UHFFFAOYSA-N 0 0 442.471 4.922 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 ZINC000021099576 525771893 /nfs/dbraw/zinc/77/18/93/525771893.db2.gz KHLHGNBKIHAIDD-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(-c2csc3[nH]c(CNc4cccc(N5CCCC5=O)c4)nc(=O)c23)s1 ZINC000012798121 525786072 /nfs/dbraw/zinc/78/60/72/525786072.db2.gz CVOOPRFWYJQRDG-UHFFFAOYSA-N 0 0 436.562 4.760 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021809422 525791039 /nfs/dbraw/zinc/79/10/39/525791039.db2.gz SMGNTBHXSRULEK-QHCPKHFHSA-N 0 0 441.984 4.830 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccco1 ZINC000021781916 525794620 /nfs/dbraw/zinc/79/46/20/525794620.db2.gz LTVZSOOUHNQNJP-SANMLTNESA-N 0 0 449.551 4.637 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021859492 525804302 /nfs/dbraw/zinc/80/43/02/525804302.db2.gz SUNPHNCITYCDTJ-MHZLTWQESA-N 0 0 441.506 4.512 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197855 525823536 /nfs/dbraw/zinc/82/35/36/525823536.db2.gz GECYBCMROHAYJI-ASSNKEHSSA-N 0 0 448.375 4.958 50 0 IJAARN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036043605 525836507 /nfs/dbraw/zinc/83/65/07/525836507.db2.gz QQVQYDSVXKUXRB-DQEYMECFSA-N 0 0 430.523 4.615 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000012791674 525843377 /nfs/dbraw/zinc/84/33/77/525843377.db2.gz ZLBWCPOBLDZVDF-SFHVURJKSA-N 0 0 432.549 4.994 50 0 IJAARN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)COc1ccccc1)C1CC1 ZINC000035774596 525844044 /nfs/dbraw/zinc/84/40/44/525844044.db2.gz QMJMAWABQCATGJ-UHFFFAOYSA-N 0 0 448.588 4.655 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)c1 ZINC000035180856 525871877 /nfs/dbraw/zinc/87/18/77/525871877.db2.gz FPIXPYOONFOZJM-GOSISDBHSA-N 0 0 447.510 4.964 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc2=O)cc1Cl ZINC000033128215 525930661 /nfs/dbraw/zinc/93/06/61/525930661.db2.gz IHCKVKHLLRAGAZ-LBPRGKRZSA-N 0 0 435.883 4.592 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCC3CCCCCCC3)ccc2=O)cc1C ZINC000033039778 525930921 /nfs/dbraw/zinc/93/09/21/525930921.db2.gz QIECQNKNULFJFK-LJQANCHMSA-N 0 0 427.614 4.807 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000001065320 525932486 /nfs/dbraw/zinc/93/24/86/525932486.db2.gz CYNAGABYSGHVTC-LBPRGKRZSA-N 0 0 429.731 4.889 50 0 IJAARN C[C@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000021999864 525938644 /nfs/dbraw/zinc/93/86/44/525938644.db2.gz BBKDWPHJZANJGB-KSSFIOAISA-N 0 0 428.872 4.565 50 0 in-vitro IJAARN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c2ccccc2)cc1 ZINC000012623508 525967984 /nfs/dbraw/zinc/96/79/84/525967984.db2.gz KUTFZWQTLWHQAY-RUZDIDTESA-N 0 0 448.588 4.607 50 0 IJAARN Cc1ccc([C@H](NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2cccs2)cc1 ZINC000057289788 525968289 /nfs/dbraw/zinc/96/82/89/525968289.db2.gz PPMHBSOESOCOKT-QFIPXVFZSA-N 0 0 437.956 4.608 50 0 IJAARN Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)O3)n1 ZINC000012190367 525983976 /nfs/dbraw/zinc/98/39/76/525983976.db2.gz IPDDRVKGOYZSBN-LJQANCHMSA-N 0 0 427.426 4.513 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417706 525995190 /nfs/dbraw/zinc/99/51/90/525995190.db2.gz QHTDTPSZGMTBHO-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398637 525995382 /nfs/dbraw/zinc/99/53/82/525995382.db2.gz KJVBBNJJOPWVQD-UHFFFAOYSA-N 0 0 436.556 4.537 50 0 IJAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)Nc4ccc(CCO)cc4)c(=O)oc12)CCCC3 ZINC000012887275 525998088 /nfs/dbraw/zinc/99/80/88/525998088.db2.gz URERTECZCQSJRU-UHFFFAOYSA-N 0 0 445.515 4.751 50 0 biogenic IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000012751883 526002642 /nfs/dbraw/zinc/00/26/42/526002642.db2.gz KYFUDPBRSYKVQH-ZWKOTPCHSA-N 0 0 441.556 4.844 50 0 IJAARN C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008862303 526017207 /nfs/dbraw/zinc/01/72/07/526017207.db2.gz GMQRSUWXCFLVND-CYBMUJFWSA-N 0 0 425.514 4.649 50 0 IJAARN CSc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000012854052 526023741 /nfs/dbraw/zinc/02/37/41/526023741.db2.gz CTNFTCPZZGMGFM-UHFFFAOYSA-N 0 0 432.611 4.545 50 0 IJAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000035912982 526050137 /nfs/dbraw/zinc/05/01/37/526050137.db2.gz HMMHMGXUHFNLMQ-UHFFFAOYSA-N 0 0 448.367 4.836 50 0 IJAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000012567932 526051083 /nfs/dbraw/zinc/05/10/83/526051083.db2.gz HWUACZRGKFJORR-MHZLTWQESA-N 0 0 437.499 4.793 50 0 IJAARN C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012317676 526068700 /nfs/dbraw/zinc/06/87/00/526068700.db2.gz CUGPUKAYEFZKDE-CQSZACIVSA-N 0 0 437.496 4.806 50 0 IJAARN Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000014965275 526100572 /nfs/dbraw/zinc/10/05/72/526100572.db2.gz FSCHWAQUXUBWAD-RTBURBONSA-N 0 0 445.654 4.847 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccc(C)cc4)c3c2=O)c1 ZINC000035400460 526109359 /nfs/dbraw/zinc/10/93/59/526109359.db2.gz IZXLQKPEVVANCZ-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN CSc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 ZINC000021100569 526129405 /nfs/dbraw/zinc/12/94/05/526129405.db2.gz XNBSWOMFWLYQKI-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036043602 526133563 /nfs/dbraw/zinc/13/35/63/526133563.db2.gz IMHLVZAIIRIYAS-JWQCQUIFSA-N 0 0 430.523 4.615 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)ccc12 ZINC000012629563 526148658 /nfs/dbraw/zinc/14/86/58/526148658.db2.gz GHUCQIFNYSQXSP-UHFFFAOYSA-N 0 0 425.444 4.580 50 0 IJAARN Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000012137695 526157953 /nfs/dbraw/zinc/15/79/53/526157953.db2.gz PKRRUZRVHSSNOF-INIZCTEOSA-N 0 0 445.357 4.708 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012812511 526167873 /nfs/dbraw/zinc/16/78/73/526167873.db2.gz JMBOOYMGDWUCBN-SFHVURJKSA-N 0 0 433.577 4.973 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012881576 526168687 /nfs/dbraw/zinc/16/86/87/526168687.db2.gz LXXGQLXJLIKHLA-LJQANCHMSA-N 0 0 445.357 4.694 50 0 IJAARN COc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 ZINC000021352314 526171430 /nfs/dbraw/zinc/17/14/30/526171430.db2.gz YZVCVAOXFIYRPN-AWEZNQCLSA-N 0 0 439.581 4.716 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000012936622 526180765 /nfs/dbraw/zinc/18/07/65/526180765.db2.gz BRPJJYSWNKTDKL-CPJLOUKISA-N 0 0 444.560 4.867 50 0 IJAARN Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2)cc1 ZINC000032888288 526210910 /nfs/dbraw/zinc/21/09/10/526210910.db2.gz BDESMKAQGPGHDE-IFMALSPDSA-N 0 0 443.547 4.584 50 0 IJAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012634754 526214802 /nfs/dbraw/zinc/21/48/02/526214802.db2.gz AQYGYJMVZINRBA-UHFFFAOYSA-N 0 0 446.532 4.642 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cc(Cl)ccc1N1CCCCC1 ZINC000012639205 526217536 /nfs/dbraw/zinc/21/75/36/526217536.db2.gz IIEYVPFKTBHIKO-MRXNPFEDSA-N 0 0 426.948 4.506 50 0 IJAARN CSc1nncn1-c1cccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000012525959 526229809 /nfs/dbraw/zinc/22/98/09/526229809.db2.gz DMHCSDWWMIBQGS-UHFFFAOYSA-N 0 0 430.599 4.704 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(C)c(C)c3)cc(=O)n2c1 ZINC000021156922 526250149 /nfs/dbraw/zinc/25/01/49/526250149.db2.gz XVTRWPHELWPVRR-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN O=C(NCCCc1ccccc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021729371 526278156 /nfs/dbraw/zinc/27/81/56/526278156.db2.gz ZYFGCNQOPJEFCM-UHFFFAOYSA-N 0 0 427.548 4.886 50 0 IJAARN O=C(C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000021103406 526306262 /nfs/dbraw/zinc/30/62/62/526306262.db2.gz PSQKQSLQNSAOTP-UHFFFAOYSA-N 0 0 448.954 4.922 50 0 IJAARN Cc1nn2c(nc(C)cc2N2CCN(C/C=C/c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000021798772 526311266 /nfs/dbraw/zinc/31/12/66/526311266.db2.gz OCUFNPCUIZCQRI-RMKNXTFCSA-N 0 0 441.554 4.988 50 0 IJAARN Cc1nn2c(ncc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c2C)c1-c1ccccc1 ZINC000021914626 526312950 /nfs/dbraw/zinc/31/29/50/526312950.db2.gz FBKLUBSDBHDUBS-IBGZPJMESA-N 0 0 439.563 4.672 50 0 IJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)c(F)c1 ZINC000021639585 526356406 /nfs/dbraw/zinc/35/64/06/526356406.db2.gz LOOHZTVLPOIEAX-UHFFFAOYSA-N 0 0 437.313 4.881 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 ZINC000012598750 526379307 /nfs/dbraw/zinc/37/93/07/526379307.db2.gz VZBWDFXONONDFW-SFHVURJKSA-N 0 0 436.533 4.784 50 0 IJAARN O=C(CCC1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012750006 526408218 /nfs/dbraw/zinc/40/82/18/526408218.db2.gz WZAHNMQNIRRUOY-ZNZIZOMTSA-N 0 0 434.624 4.699 50 0 IJAARN O=C(CCC1CCN(C(=O)c2ccccc2F)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012595856 526408391 /nfs/dbraw/zinc/40/83/91/526408391.db2.gz YQMWPGQWSOCXHX-UHFFFAOYSA-N 0 0 436.449 4.793 50 0 IJAARN O=C(OCc1nc2ccccc2s1)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC000021739170 526431528 /nfs/dbraw/zinc/43/15/28/526431528.db2.gz HDVUFZYAUGWJSC-UHFFFAOYSA-N 0 0 432.288 4.506 50 0 IJAARN O=C(NCCc1ccccn1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1 ZINC000034832777 526435383 /nfs/dbraw/zinc/43/53/83/526435383.db2.gz JJVGWKRYWHENIR-UHFFFAOYSA-N 0 0 437.478 4.570 50 0 IJAARN O=C([C@@H](Sc1nnc(COc2ccc(F)cc2)o1)c1ccccc1)N1CCCCC1 ZINC000024107708 526452696 /nfs/dbraw/zinc/45/26/96/526452696.db2.gz OAPCAYUPYCRTQL-FQEVSTJZSA-N 0 0 427.501 4.634 50 0 IJAARN O=C(CCCSc1nc2c3ccccc3ncn2n1)Nc1cccc(C(F)(F)F)c1 ZINC000012863357 526453006 /nfs/dbraw/zinc/45/30/06/526453006.db2.gz BWPLMJPQMUUNRU-UHFFFAOYSA-N 0 0 431.443 4.807 50 0 IJAARN O=C(CCN1C(=O)COc2ccccc21)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000023199881 526478807 /nfs/dbraw/zinc/47/88/07/526478807.db2.gz ZUKGZABIQKDZED-AREMUKBSSA-N 0 0 446.572 4.648 50 0 IJAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)s2)cs1 ZINC000033308400 526561661 /nfs/dbraw/zinc/56/16/61/526561661.db2.gz FOXDPIJSBJBEIQ-UHFFFAOYSA-N 0 0 447.651 4.616 50 0 IJAARN Cc1nc(-c2cccc(NCc3cc(=O)n4cc(Br)ccc4n3)c2)cs1 ZINC000012557340 526593281 /nfs/dbraw/zinc/59/32/81/526593281.db2.gz JCDKGADYPOADAT-UHFFFAOYSA-N 0 0 427.327 4.501 50 0 IJAARN Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2nccs2)nn1 ZINC000020515763 526600692 /nfs/dbraw/zinc/60/06/92/526600692.db2.gz QASGMRZTXRRWQO-UHFFFAOYSA-N 0 0 425.564 4.763 50 0 IJAARN Cc1nc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)nn1-c1ccc(Cl)cc1 ZINC000012507290 526649198 /nfs/dbraw/zinc/64/91/98/526649198.db2.gz COCTZYBLOHEUAQ-LBPRGKRZSA-N 0 0 444.873 4.507 50 0 IJAARN O=C(CCc1nc2ccccc2s1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393171 526655580 /nfs/dbraw/zinc/65/55/80/526655580.db2.gz CYRVTFLFWCXMGM-UHFFFAOYSA-N 0 0 433.499 4.592 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(CN4C[C@@H](C)C[C@H](C)C4)cs3)c12 ZINC000022296501 526681527 /nfs/dbraw/zinc/68/15/27/526681527.db2.gz ORMRJAHDLCKUPG-STQMWFEESA-N 0 0 425.558 4.595 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Br)cc1Cl ZINC000012910864 526702115 /nfs/dbraw/zinc/70/21/15/526702115.db2.gz HYGBAJIRAYWVJD-CQSZACIVSA-N 0 0 443.794 4.784 50 0 IJAARN O=C(NCc1cccc(F)c1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000021358984 526718666 /nfs/dbraw/zinc/71/86/66/526718666.db2.gz OBADGPTTXUPYPJ-UHFFFAOYSA-N 0 0 446.438 4.517 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158683 526731533 /nfs/dbraw/zinc/73/15/33/526731533.db2.gz ISMLYBMCSRYYSJ-UHFFFAOYSA-N 0 0 442.538 4.757 50 0 IJAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1COC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000012415668 526733470 /nfs/dbraw/zinc/73/34/70/526733470.db2.gz SOBGMDKFFBPUGG-UHFFFAOYSA-N 0 0 446.507 4.992 50 0 IJAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1sc2ccccc2c1Cl ZINC000012798566 526760409 /nfs/dbraw/zinc/76/04/09/526760409.db2.gz NJMKNTXCPAXGGT-UHFFFAOYSA-N 0 0 448.997 4.659 50 0 IJAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022773876 526767255 /nfs/dbraw/zinc/76/72/55/526767255.db2.gz JLRAOBZSSRVSTA-JXMROGBWSA-N 0 0 427.548 4.748 50 0 IJAARN Cc1oc2nc(SCC(=O)N(C(C)C)C(C)C)nc(NC(=O)c3ccccc3)c2c1C ZINC000012741641 526792131 /nfs/dbraw/zinc/79/21/31/526792131.db2.gz RDNWSIXZLXCCGW-UHFFFAOYSA-N 0 0 440.569 4.829 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br ZINC000012787303 526854370 /nfs/dbraw/zinc/85/43/70/526854370.db2.gz LVZQJDMUVWWHJO-UHFFFAOYSA-N 0 0 433.689 4.731 50 0 IJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012813801 526855397 /nfs/dbraw/zinc/85/53/97/526855397.db2.gz NCIQNGPGQTXDIV-MRXNPFEDSA-N 0 0 434.348 4.697 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000012774167 526870145 /nfs/dbraw/zinc/87/01/45/526870145.db2.gz QQLNQANBLHSPFJ-QHCPKHFHSA-N 0 0 428.517 4.517 50 0 IJAARN Cc1sc2ncn(CC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)c(=O)c2c1-c1ccccc1 ZINC000012820772 526898113 /nfs/dbraw/zinc/89/81/13/526898113.db2.gz JNHNZOSSPJESFH-CYBMUJFWSA-N 0 0 449.498 4.623 50 0 IJAARN O=C(c1csc(-c2ccccc2)n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393228 526900349 /nfs/dbraw/zinc/90/03/49/526900349.db2.gz CHCPFHPWMIMWDP-UHFFFAOYSA-N 0 0 431.483 4.787 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)NCC(F)(F)F ZINC000021577204 526911456 /nfs/dbraw/zinc/91/14/56/526911456.db2.gz RVUVVFUAJOSNSK-SDNWHVSQSA-N 0 0 444.409 4.540 50 0 IJAARN O=C(COC(=O)c1ccccc1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012576029 526916222 /nfs/dbraw/zinc/91/62/22/526916222.db2.gz CWFLFKBAYRUGOU-UHFFFAOYSA-N 0 0 441.531 4.775 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012697402 526945593 /nfs/dbraw/zinc/94/55/93/526945593.db2.gz DQUSKLFDCYQROS-UHFFFAOYSA-N 0 0 438.409 4.971 50 0 IJAARN O=C(COc1ccc(Br)cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000012697914 526946314 /nfs/dbraw/zinc/94/63/14/526946314.db2.gz PLXPQFOZRMDMDL-INIZCTEOSA-N 0 0 431.311 4.860 50 0 IJAARN Clc1ccccc1CN1CCN(c2nc3ccccc3c(N3CCCCCC3)n2)CC1 ZINC000041149357 526989739 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O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012852824 527500893 /nfs/dbraw/zinc/50/08/93/527500893.db2.gz BPSNHWDKBYCVHV-UHFFFAOYSA-N 0 0 441.512 4.865 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@H]3CC34CCC4)CC2)c(Cl)c1 ZINC000012753990 527511276 /nfs/dbraw/zinc/51/12/76/527511276.db2.gz YZJBZAQTPGINDY-LJQANCHMSA-N 0 0 430.976 4.572 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c12 ZINC000020516820 527523266 /nfs/dbraw/zinc/52/32/66/527523266.db2.gz FYOXAHMDLFTCIP-QGZVFWFLSA-N 0 0 442.519 4.608 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000012542097 527529103 /nfs/dbraw/zinc/52/91/03/527529103.db2.gz UJIJVMAEOQMMRF-VGOFRKELSA-N 0 0 440.906 4.719 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)c12 ZINC000017100311 527555301 /nfs/dbraw/zinc/55/53/01/527555301.db2.gz AZFNOYIAWOTACR-UHFFFAOYSA-N 0 0 436.519 4.843 50 0 IJAARN O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 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COc1cccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000000654381 555524376 /nfs/dbraw/zinc/52/43/76/555524376.db2.gz XXQPONOGKRMBIA-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000666096 555528632 /nfs/dbraw/zinc/52/86/32/555528632.db2.gz AQMPGXYZXMZQRP-VQTJNVASSA-N 0 0 436.577 4.536 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1 ZINC000000673798 555532614 /nfs/dbraw/zinc/53/26/14/555532614.db2.gz HNTVRGDHPVJQOH-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc(Cl)c(C)c2)c1C(N)=O ZINC000000676887 555535208 /nfs/dbraw/zinc/53/52/08/555535208.db2.gz FNONZDHGMXAKRR-UHFFFAOYSA-N 0 0 428.941 4.726 50 0 IJAARN O=C(COc1ccc(Br)cc1)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000000678423 555536058 /nfs/dbraw/zinc/53/60/58/555536058.db2.gz HVKRLGYPSRXWHP-UHFFFAOYSA-N 0 0 434.142 4.648 50 0 IJAARN O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccco1 ZINC000000678779 555536239 /nfs/dbraw/zinc/53/62/39/555536239.db2.gz BGIHUZOIROVLLX-UHFFFAOYSA-N 0 0 430.201 4.945 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(OC)c3OC)c2C(N)=O)C1 ZINC000000679862 555537093 /nfs/dbraw/zinc/53/70/93/555537093.db2.gz AKSTXEPWTORWPM-CYBMUJFWSA-N 0 0 430.570 4.658 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000000681340 555537444 /nfs/dbraw/zinc/53/74/44/555537444.db2.gz XOKWCIKEDBUEHX-UHFFFAOYSA-N 0 0 448.342 4.759 50 0 IJAARN Cc1c(Br)ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1C ZINC000000687353 555540459 /nfs/dbraw/zinc/54/04/59/555540459.db2.gz KDMRROQLSMWQBC-UHFFFAOYSA-N 0 0 432.343 4.771 50 0 IJAARN O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000000720751 555549960 /nfs/dbraw/zinc/54/99/60/555549960.db2.gz UVTHWVMWBLCZPQ-RTWAWAEBSA-N 0 0 427.378 4.970 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 ZINC000000759270 555554146 /nfs/dbraw/zinc/55/41/46/555554146.db2.gz DNQAZBYDZRMZPV-CQSZACIVSA-N 0 0 430.570 4.658 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000000791298 555557059 /nfs/dbraw/zinc/55/70/59/555557059.db2.gz CNXZIGJCGQLOJI-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827048 555565418 /nfs/dbraw/zinc/56/54/18/555565418.db2.gz QHXLWHZPBSRDEW-UHFFFAOYSA-N 0 0 447.280 4.767 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000000843102 555568414 /nfs/dbraw/zinc/56/84/14/555568414.db2.gz XRSSBUCJXVNOIN-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN CC[C@H](C)NC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845232 555569345 /nfs/dbraw/zinc/56/93/45/555569345.db2.gz ANZUIFGQDARNSJ-JTQLQIEISA-N 0 0 441.251 4.706 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2cc(C)ccc2C(C)C)c(C(=O)OCC)c1C ZINC000000846878 555569587 /nfs/dbraw/zinc/56/95/87/555569587.db2.gz LAOSSFUXEWRMHX-UHFFFAOYSA-N 0 0 447.553 4.859 50 0 IJAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3nc4ccccc4s3)nc21 ZINC000000877540 555576455 /nfs/dbraw/zinc/57/64/55/555576455.db2.gz IJECWSLZKLZOMN-UHFFFAOYSA-N 0 0 434.550 4.730 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000009508074 555577103 /nfs/dbraw/zinc/57/71/03/555577103.db2.gz GNSKIDAAGLEPNO-NVXWUHKLSA-N 0 0 428.583 4.613 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2c(Br)cc(Cl)cc2Br)cc1 ZINC000000887946 555579184 /nfs/dbraw/zinc/57/91/84/555579184.db2.gz LCWUKWHOQJUAMT-UHFFFAOYSA-N 0 0 439.556 4.974 50 0 IJAARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccc(F)cc1 ZINC000000917921 555583800 /nfs/dbraw/zinc/58/38/00/555583800.db2.gz ZEUNCZGQMHAMOD-UHFFFAOYSA-N 0 0 425.407 4.693 50 0 IJAARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2 ZINC000000918017 555584072 /nfs/dbraw/zinc/58/40/72/555584072.db2.gz DNQKACXGGJANJU-UHFFFAOYSA-N 0 0 437.399 4.605 50 0 IJAARN CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000000939263 555586448 /nfs/dbraw/zinc/58/64/48/555586448.db2.gz BTUAAXONPWJVQC-UHFFFAOYSA-N 0 0 439.682 4.606 50 0 IJAARN CC(C)COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000951145 555589141 /nfs/dbraw/zinc/58/91/41/555589141.db2.gz UYVRUUFOUZPSBS-UHFFFAOYSA-N 0 0 442.471 4.552 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)sc2c1 ZINC000000953115 555589688 /nfs/dbraw/zinc/58/96/88/555589688.db2.gz GVJNLAGFDFKMIX-XMHGGMMESA-N 0 0 434.542 4.879 50 0 IJAARN COc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4C)c(=O)c23)cc1 ZINC000000955651 555590414 /nfs/dbraw/zinc/59/04/14/555590414.db2.gz UKWIDZVXIIUCJE-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2Cl)cc1 ZINC000000972370 555591834 /nfs/dbraw/zinc/59/18/34/555591834.db2.gz CQABBRBSMSVSAW-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(NC1CCCC1)c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl ZINC000000978123 555592831 /nfs/dbraw/zinc/59/28/31/555592831.db2.gz YBLNVZQZUJKZLE-UHFFFAOYSA-N 0 0 434.849 4.840 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000982683 555593917 /nfs/dbraw/zinc/59/39/17/555593917.db2.gz CVDQLHDVZJWAPZ-UHFFFAOYSA-N 0 0 442.151 4.559 50 0 IJAARN O=C(c1conc1C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000000987983 555595362 /nfs/dbraw/zinc/59/53/62/555595362.db2.gz LSTZRGCTYMAMMR-UHFFFAOYSA-N 0 0 435.071 4.662 50 0 IJAARN Cc1ccc(C)n1-c1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccc(F)c21 ZINC000001029126 555605463 /nfs/dbraw/zinc/60/54/63/555605463.db2.gz BGMVQXCEWBGZDA-UHFFFAOYSA-N 0 0 437.418 4.839 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000001030009 555605466 /nfs/dbraw/zinc/60/54/66/555605466.db2.gz CWTUEIUDMVRJOA-UHFFFAOYSA-N 0 0 433.936 4.680 50 0 IJAARN Cn1c(SCC(=O)c2ccc3c(c2)OCCCO3)nnc1-c1ccc2ccccc2c1 ZINC000001032561 555606563 /nfs/dbraw/zinc/60/65/63/555606563.db2.gz DWAGOLWOLTWSCB-UHFFFAOYSA-N 0 0 431.517 4.772 50 0 IJAARN O=C(Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1)C1CCC1 ZINC000001047092 555611153 /nfs/dbraw/zinc/61/11/53/555611153.db2.gz NNXRWKMFVNCLMP-UHFFFAOYSA-N 0 0 449.317 4.944 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(-c2c(F)cccc2F)o1 ZINC000001048714 555612108 /nfs/dbraw/zinc/61/21/08/555612108.db2.gz GJYNFOUCZYNVGU-UHFFFAOYSA-N 0 0 431.435 4.586 50 0 IJAARN CCc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001057518 555614869 /nfs/dbraw/zinc/61/48/69/555614869.db2.gz DTVDYKQGBPJILV-UHFFFAOYSA-N 0 0 444.503 4.670 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000001064846 555617843 /nfs/dbraw/zinc/61/78/43/555617843.db2.gz ULWWRMQZZNTGKX-MPBGBICISA-N 0 0 436.733 4.566 50 0 IJAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)ccc1OC(C)C ZINC000001074705 555623629 /nfs/dbraw/zinc/62/36/29/555623629.db2.gz GSXRDSQZTXQEJZ-JOCHJYFZSA-N 0 0 430.545 4.766 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000001079769 555625956 /nfs/dbraw/zinc/62/59/56/555625956.db2.gz PMKKRPYIRRYTRA-HSZRJFAPSA-N 0 0 442.353 4.545 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Br)c1)C1c3ccccc3C2c2ccccc21 ZINC000001092545 555627594 /nfs/dbraw/zinc/62/75/94/555627594.db2.gz FSXIBTQERIXXJV-UJKMTWAASA-N 0 0 430.301 4.846 50 0 IJAARN CC(C)(C)c1ccc(COn2c(=O)c(-c3cc4ccccc4o3)[n+]([O-])c3ccccc32)cc1 ZINC000001110513 555631063 /nfs/dbraw/zinc/63/10/63/555631063.db2.gz FLQRXZVDBKNPFY-UHFFFAOYSA-N 0 0 440.499 4.974 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1-c1nnc2c3ccccc3c(C)nn12 ZINC000001114688 555633732 /nfs/dbraw/zinc/63/37/32/555633732.db2.gz IBXGGVKWKQBXFU-UHFFFAOYSA-N 0 0 449.580 4.515 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc([C@@H](C)CC)cc1 ZINC000001121127 555637935 /nfs/dbraw/zinc/63/79/35/555637935.db2.gz OSDMOKOWFYNVIE-ZDUSSCGKSA-N 0 0 433.526 4.551 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000001121442 555638200 /nfs/dbraw/zinc/63/82/00/555638200.db2.gz GSRGRUZJBGIHRD-UHFFFAOYSA-N 0 0 431.492 4.794 50 0 IJAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000001124694 555639975 /nfs/dbraw/zinc/63/99/75/555639975.db2.gz IIWWJEQUZWUFGY-VMSYHEBLSA-N 0 0 426.277 4.851 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000001137740 555647728 /nfs/dbraw/zinc/64/77/28/555647728.db2.gz MXPDZMGDWFSGEZ-UHFFFAOYSA-N 0 0 446.981 4.896 50 0 IJAARN Cc1sc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)nc1-c1ccccc1 ZINC000001139922 555649405 /nfs/dbraw/zinc/64/94/05/555649405.db2.gz VTNSFZJZZAYCRU-UHFFFAOYSA-N 0 0 435.578 4.953 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@@H](Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001142281 555650684 /nfs/dbraw/zinc/65/06/84/555650684.db2.gz KSWSJUCWKSJMKX-OAQYLSRUSA-N 0 0 445.382 4.889 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccncc2)cc1 ZINC000001141824 555650724 /nfs/dbraw/zinc/65/07/24/555650724.db2.gz VJOLZZINDZBHQB-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000001142799 555650930 /nfs/dbraw/zinc/65/09/30/555650930.db2.gz HHWIUOOOBMJWID-UHFFFAOYSA-N 0 0 434.989 4.919 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001147998 555654681 /nfs/dbraw/zinc/65/46/81/555654681.db2.gz PEIZQMVJGVIQOG-LOSJGSFVSA-N 0 0 433.504 4.865 50 0 IJAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(-c2ccccc2)cc1 ZINC000001147911 555654704 /nfs/dbraw/zinc/65/47/04/555654704.db2.gz NMNUYIHQOJLZSF-HXUWFJFHSA-N 0 0 433.891 4.786 50 0 IJAARN C[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001157348 555659914 /nfs/dbraw/zinc/65/99/14/555659914.db2.gz FNQBAKANKUJXLP-MRXNPFEDSA-N 0 0 444.940 4.926 50 0 IJAARN CC(C)C(=O)Nc1cccc(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000001165451 555663844 /nfs/dbraw/zinc/66/38/44/555663844.db2.gz VUKFPTUHAHALSP-UHFFFAOYSA-N 0 0 442.684 4.791 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001177621 555670285 /nfs/dbraw/zinc/67/02/85/555670285.db2.gz DNMJLEKOCGDLPM-HXUWFJFHSA-N 0 0 439.298 4.839 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 ZINC000001183202 555672808 /nfs/dbraw/zinc/67/28/08/555672808.db2.gz IGXRMYLEOMYIHC-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)c(Cl)c1 ZINC000001186946 555674650 /nfs/dbraw/zinc/67/46/50/555674650.db2.gz FERKMKBKJGQIKQ-UHFFFAOYSA-N 0 0 432.303 4.707 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000001187196 555674945 /nfs/dbraw/zinc/67/49/45/555674945.db2.gz DXIPFIVURKVZKI-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000001191664 555675830 /nfs/dbraw/zinc/67/58/30/555675830.db2.gz TXDBXAADENFVSS-UHFFFAOYSA-N 0 0 438.549 4.531 50 0 IJAARN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000001196660 555676948 /nfs/dbraw/zinc/67/69/48/555676948.db2.gz HPXZWBSTCFPXTM-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 ZINC000001200099 555678249 /nfs/dbraw/zinc/67/82/49/555678249.db2.gz BJCSQLGXBMSTPE-OAQYLSRUSA-N 0 0 435.501 4.732 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1cc2c(oc3c2C(=O)CCC3)c(Br)c1 ZINC000001208147 555681193 /nfs/dbraw/zinc/68/11/93/555681193.db2.gz XDUSKJPPQCWKKK-UHFFFAOYSA-N 0 0 434.311 4.824 50 0 IJAARN COc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000001216438 555683959 /nfs/dbraw/zinc/68/39/59/555683959.db2.gz VSZYBMKOSZGEKM-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1 ZINC000001216621 555684245 /nfs/dbraw/zinc/68/42/45/555684245.db2.gz CWSZBDGMKYMUIA-UHFFFAOYSA-N 0 0 440.425 4.696 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001217071 555684533 /nfs/dbraw/zinc/68/45/33/555684533.db2.gz BYGULUUFVDYWLO-UHFFFAOYSA-N 0 0 438.768 4.731 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(I)cc2Cl)ccc1Cl ZINC000001218348 555684830 /nfs/dbraw/zinc/68/48/30/555684830.db2.gz LZQPHQFZVPKODM-UHFFFAOYSA-N 0 0 436.076 4.924 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000001244194 555687543 /nfs/dbraw/zinc/68/75/43/555687543.db2.gz KXIMQEQSINDBQH-UHFFFAOYSA-N 0 0 439.534 4.848 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000001253029 555687797 /nfs/dbraw/zinc/68/77/97/555687797.db2.gz DTARUEQYNIVDEO-UHFFFAOYSA-N 0 0 433.942 4.608 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1cccc(Cl)c1 ZINC000001439763 555697425 /nfs/dbraw/zinc/69/74/25/555697425.db2.gz LJZXCOAECPWQRY-UHFFFAOYSA-N 0 0 434.945 4.811 50 0 IJAARN CC(=O)Nc1nnc(-c2ccc(Cn3c4ccccc4nc3-c3cscn3)cc2)s1 ZINC000001444507 555698413 /nfs/dbraw/zinc/69/84/13/555698413.db2.gz SCDLAKFNTGCUCO-UHFFFAOYSA-N 0 0 432.534 4.685 50 0 IJAARN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000001448759 555699669 /nfs/dbraw/zinc/69/96/69/555699669.db2.gz NMERSNKCXPQLQJ-NRFANRHFSA-N 0 0 426.538 4.640 50 0 IJAARN COc1cc(OC)nc(-c2sc3ccccc3c2OCc2noc(C(C)(C)C)n2)n1 ZINC000001742601 555711785 /nfs/dbraw/zinc/71/17/85/555711785.db2.gz VFLOQFAPFLKWMI-UHFFFAOYSA-N 0 0 426.498 4.635 50 0 IJAARN CCCCNC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000002084500 555739459 /nfs/dbraw/zinc/73/94/59/555739459.db2.gz WVNSBVMCUAMXEY-UHFFFAOYSA-N 0 0 441.251 4.708 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002106667 555743540 /nfs/dbraw/zinc/74/35/40/555743540.db2.gz DPMYTXNVYVQQBF-UHFFFAOYSA-N 0 0 447.607 4.766 50 0 IJAARN COc1cccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2OC)c1 ZINC000002180175 555753287 /nfs/dbraw/zinc/75/32/87/555753287.db2.gz JNKHAQIBYBAWRF-JCMHNJIXSA-N 0 0 445.471 4.506 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000002218772 555758976 /nfs/dbraw/zinc/75/89/76/555758976.db2.gz PHXDGUNRQPRLCX-UHFFFAOYSA-N 0 0 429.303 4.941 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccn2)cc1 ZINC000002217722 555759046 /nfs/dbraw/zinc/75/90/46/555759046.db2.gz ITIZMAAZFOSNIK-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n(C)c(=O)c2c1C ZINC000002233627 555760584 /nfs/dbraw/zinc/76/05/84/555760584.db2.gz LVHFDUYBEVEOKL-UHFFFAOYSA-N 0 0 428.366 4.649 50 0 IJAARN COc1ccc([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)cc1OC ZINC000002238499 555761143 /nfs/dbraw/zinc/76/11/43/555761143.db2.gz DGQAUSHMFUXZGF-DHIUTWEWSA-N 0 0 444.516 4.570 50 0 IJAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000002262591 555763697 /nfs/dbraw/zinc/76/36/97/555763697.db2.gz VAINRMJANIKVRQ-XMHGGMMESA-N 0 0 425.941 4.588 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002287978 555765583 /nfs/dbraw/zinc/76/55/83/555765583.db2.gz SQNXUTNQYVHCST-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002287979 555765901 /nfs/dbraw/zinc/76/59/01/555765901.db2.gz SQNXUTNQYVHCST-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN CC(C)CCNC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002334095 555769603 /nfs/dbraw/zinc/76/96/03/555769603.db2.gz UAQWVKBAIXFNKE-UHFFFAOYSA-N 0 0 425.895 4.724 50 0 IJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002346566 555770868 /nfs/dbraw/zinc/77/08/68/555770868.db2.gz JZZOBGOUKTWJQT-UHFFFAOYSA-N 0 0 426.489 4.700 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000002385109 555774629 /nfs/dbraw/zinc/77/46/29/555774629.db2.gz FICIDSAYWFXLKW-UHFFFAOYSA-N 0 0 442.759 4.658 50 0 IJAARN COc1ccccc1C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 ZINC000002436378 555778655 /nfs/dbraw/zinc/77/86/55/555778655.db2.gz LBLZFEFINKEGFD-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002516900 555785150 /nfs/dbraw/zinc/78/51/50/555785150.db2.gz MIJLZGZLQLAQCM-GFCCVEGCSA-N 0 0 433.810 4.893 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cccc(C)c3nc21 ZINC000002604883 555789877 /nfs/dbraw/zinc/78/98/77/555789877.db2.gz VZWLGASWSLDZNM-UHFFFAOYSA-N 0 0 448.523 4.971 50 0 IJAARN Cc1sc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)nc1-c1ccccc1 ZINC000002758884 555811810 /nfs/dbraw/zinc/81/18/10/555811810.db2.gz CLOFQUCWMQXOBI-UHFFFAOYSA-N 0 0 446.561 4.679 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(F)cc4)CC3)nc2)c1 ZINC000034681177 555814318 /nfs/dbraw/zinc/81/43/18/555814318.db2.gz DTWNJDCMWZCDPD-UHFFFAOYSA-N 0 0 447.514 4.526 50 0 IJAARN O=C(NCc1cccc(F)c1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684599 555820095 /nfs/dbraw/zinc/82/00/95/555820095.db2.gz DJWJFDJNANLGJH-UHFFFAOYSA-N 0 0 437.946 4.731 50 0 IJAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000002797111 555822833 /nfs/dbraw/zinc/82/28/33/555822833.db2.gz VAVXCJSZMVZQLZ-UHFFFAOYSA-N 0 0 432.303 4.707 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000034708429 555823023 /nfs/dbraw/zinc/82/30/23/555823023.db2.gz PJFJMWONQHEZHF-CLJLJLNGSA-N 0 0 446.591 4.563 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3ccccc3F)cc2Cl)n1)N1CCOCC1 ZINC000034713071 555826115 /nfs/dbraw/zinc/82/61/15/555826115.db2.gz WGNKBYULMYZSSV-UHFFFAOYSA-N 0 0 432.904 4.654 50 0 IJAARN COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2cc(C)ccc2C)cc1 ZINC000002818523 555829091 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CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)c1ccccc1 ZINC000002868631 555848711 /nfs/dbraw/zinc/84/87/11/555848711.db2.gz LAYIPZWMQJTEAE-UHFFFAOYSA-N 0 0 449.363 4.761 50 0 IJAARN CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)n1 ZINC000002874537 555851368 /nfs/dbraw/zinc/85/13/68/555851368.db2.gz KRERKQFYBYIUKO-UHFFFAOYSA-N 0 0 429.807 4.854 50 0 IJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)c1 ZINC000002875605 555851947 /nfs/dbraw/zinc/85/19/47/555851947.db2.gz SFGAZTMBZNMMPT-NVXWUHKLSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(I)c1O ZINC000002882842 555856319 /nfs/dbraw/zinc/85/63/19/555856319.db2.gz NFDBSFYCIWIRHQ-CQSZACIVSA-N 0 0 445.256 4.633 50 0 IJAARN CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n2c3cc(Cl)ccc3oc12 ZINC000002883138 555856618 /nfs/dbraw/zinc/85/66/18/555856618.db2.gz GLDHSVQXOWHWIS-UHFFFAOYSA-N 0 0 445.258 4.782 50 0 IJAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000002955893 555866707 /nfs/dbraw/zinc/86/67/07/555866707.db2.gz HSLNOIMMDBCGMC-DHZHZOJOSA-N 0 0 425.897 4.712 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CCCC1)CC2 ZINC000034717080 555867001 /nfs/dbraw/zinc/86/70/01/555867001.db2.gz RWHKGJNSNSDKEE-DFBJGRDBSA-N 0 0 434.580 4.563 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2Cl)cc1 ZINC000002959924 555867554 /nfs/dbraw/zinc/86/75/54/555867554.db2.gz AQJRQDRGKUDMCO-GOSISDBHSA-N 0 0 442.968 4.721 50 0 IJAARN COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000034728764 555868982 /nfs/dbraw/zinc/86/89/82/555868982.db2.gz FMBAWCIDSKYPNZ-UHFFFAOYSA-N 0 0 443.547 4.600 50 0 IJAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1Cl ZINC000002971503 555869372 /nfs/dbraw/zinc/86/93/72/555869372.db2.gz MWEJNOOLHGYHAR-UHFFFAOYSA-N 0 0 431.677 4.990 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034731653 555870607 /nfs/dbraw/zinc/87/06/07/555870607.db2.gz DFSPUEOKIJIMDS-SFTDATJTSA-N 0 0 445.538 4.776 50 0 IJAARN O=C(Cc1cccs1)N1C[C@@H](C(=O)NCc2ccccc2F)CC[C@H]1c1ccccc1 ZINC000034739968 555882992 /nfs/dbraw/zinc/88/29/92/555882992.db2.gz REXKYDCVYMIPPR-REWPJTCUSA-N 0 0 436.552 4.726 50 0 IJAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1 ZINC000003062934 555884001 /nfs/dbraw/zinc/88/40/01/555884001.db2.gz IVKLTXNLNLZXFR-ZKKFKWFVSA-N 0 0 444.328 4.898 50 0 IJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2C1=O ZINC000003079886 555884779 /nfs/dbraw/zinc/88/47/79/555884779.db2.gz LCLXLCQWQBBXIE-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003130853 555890543 /nfs/dbraw/zinc/89/05/43/555890543.db2.gz RZEMEMIAHXQSJQ-AWEZNQCLSA-N 0 0 437.179 4.753 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000003138672 555891480 /nfs/dbraw/zinc/89/14/80/555891480.db2.gz ADKOVSREWAYIPZ-LJQANCHMSA-N 0 0 428.838 4.620 50 0 IJAARN Cc1cc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccn2C)CC3)ccc1F ZINC000034755809 555901144 /nfs/dbraw/zinc/90/11/44/555901144.db2.gz WUQDJSKGMHAHIV-UHFFFAOYSA-N 0 0 435.547 4.604 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NC[C@@H]2CCCO2)cc1 ZINC000003229770 555904718 /nfs/dbraw/zinc/90/47/18/555904718.db2.gz PCAILISKJLPQLG-KRWDZBQOSA-N 0 0 432.929 4.727 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3F)CC1)=Nc1ccccc1O2 ZINC000034813141 555910070 /nfs/dbraw/zinc/91/00/70/555910070.db2.gz NLFBVSPIDZEOPZ-UHFFFAOYSA-N 0 0 449.457 4.615 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NC(C)C)CC1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034814439 555911029 /nfs/dbraw/zinc/91/10/29/555911029.db2.gz SMSJXILQCQXDCY-UHFFFAOYSA-N 0 0 446.473 4.933 50 0 IJAARN CCCCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000034905290 555919477 /nfs/dbraw/zinc/91/94/77/555919477.db2.gz KAAQVIUPELZXJC-PMACEKPBSA-N 0 0 443.613 4.768 50 0 IJAARN CCOC(=O)CCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908134 555921491 /nfs/dbraw/zinc/92/14/91/555921491.db2.gz MQAHTSMLPAGXOK-LJQANCHMSA-N 0 0 428.435 4.780 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)cnc3ccccc32)C1 ZINC000034868209 555925805 /nfs/dbraw/zinc/92/58/05/555925805.db2.gz FWIDIZNLGZOMBQ-LJQANCHMSA-N 0 0 432.520 4.644 50 0 IJAARN CCCCC(=O)N1CCN(C[C@H](OCc2cccc(Cl)c2)c2cccc(OC)c2)CC1 ZINC000034915452 555930228 /nfs/dbraw/zinc/93/02/28/555930228.db2.gz XMVKLKNOXHUEDT-DEOSSOPVSA-N 0 0 445.003 4.941 50 0 IJAARN O=C(NCc1ccccc1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670249 555945747 /nfs/dbraw/zinc/94/57/47/555945747.db2.gz BRKJBUNXVQIPRE-QFIPXVFZSA-N 0 0 442.302 4.507 50 0 IJAARN O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl ZINC000004195737 555975425 /nfs/dbraw/zinc/97/54/25/555975425.db2.gz SMYSKMXYRSIGPB-KHGIDLIESA-N 0 0 430.287 4.748 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000004757726 556010074 /nfs/dbraw/zinc/01/00/74/556010074.db2.gz OMYXZHRKNAUXTC-UHFFFAOYSA-N 0 0 433.430 4.843 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000002639599 556115402 /nfs/dbraw/zinc/11/54/02/556115402.db2.gz JLWBUDQLZOFPHK-UHFFFAOYSA-N 0 0 441.509 4.513 50 0 IJAARN CCCCOC(=O)c1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 ZINC000002672387 556118345 /nfs/dbraw/zinc/11/83/45/556118345.db2.gz NDQBTKKRDMWRQM-QFIPXVFZSA-N 0 0 436.533 4.756 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000002674932 556118441 /nfs/dbraw/zinc/11/84/41/556118441.db2.gz UJFNQXNZDFOEIL-OAHLLOKOSA-N 0 0 441.163 4.548 50 0 IJAARN Cc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCCO4)c1 ZINC000002691637 556119938 /nfs/dbraw/zinc/11/99/38/556119938.db2.gz RVDLJFARURIAHH-UHFFFAOYSA-N 0 0 439.511 4.977 50 0 IJAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691636 556120002 /nfs/dbraw/zinc/12/00/02/556120002.db2.gz GATPDLGUKHYAQL-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN COc1ccc(CCNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc32)cc1OC ZINC000002698635 556121460 /nfs/dbraw/zinc/12/14/60/556121460.db2.gz KAMGDUFWJYYIAF-UHFFFAOYSA-N 0 0 443.482 4.755 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704138 556123256 /nfs/dbraw/zinc/12/32/56/556123256.db2.gz FXUCHKNGDUVATA-HSZRJFAPSA-N 0 0 425.440 4.576 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002704508 556123893 /nfs/dbraw/zinc/12/38/93/556123893.db2.gz CYHQQADSLFGEQF-QFIPXVFZSA-N 0 0 447.874 4.906 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720661 556127135 /nfs/dbraw/zinc/12/71/35/556127135.db2.gz WDSGYSQEHUMDSB-UHFFFAOYSA-N 0 0 440.528 4.906 50 0 IJAARN C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724497 556133254 /nfs/dbraw/zinc/13/32/54/556133254.db2.gz QBDQRZGAMKCHEZ-WNSKOXEYSA-N 0 0 438.886 4.817 50 0 IJAARN Cc1ccc(NC(=O)CSC2=N/C(=C/c3cccs3)C(=O)N2CC(C)C)c(C)c1 ZINC000002785716 556138591 /nfs/dbraw/zinc/13/85/91/556138591.db2.gz LJBPFLIZPBBDCF-YBFXNURJSA-N 0 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ZINC000008437215 556173658 /nfs/dbraw/zinc/17/36/58/556173658.db2.gz OYJJOAYMAOURSO-XMMPIXPASA-N 0 0 445.567 4.562 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1cnn2c1nc(-c1cccc(OC)c1)cc2C(F)(F)F ZINC000008436959 556173734 /nfs/dbraw/zinc/17/37/34/556173734.db2.gz JJWAUTBVUNQCGL-HNNXBMFYSA-N 0 0 432.446 4.828 50 0 IJAARN O=C(c1cccs1)C1=NN(c2ccccc2)[C@]2(SCC(=O)N2c2ccccc2)S1 ZINC000008438007 556174316 /nfs/dbraw/zinc/17/43/16/556174316.db2.gz GNASHUJXPMQFFB-OAQYLSRUSA-N 0 0 437.571 4.889 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 ZINC000008440681 556176522 /nfs/dbraw/zinc/17/65/22/556176522.db2.gz OYYMSCUYPCYJFZ-UHFFFAOYSA-N 0 0 447.585 4.975 50 0 IJAARN FC(F)(F)c1ccc(-c2nc(-c3ccncc3)ncc2-c2nnnn2-c2ccccc2)cc1 ZINC000008445477 556179632 /nfs/dbraw/zinc/17/96/32/556179632.db2.gz BJGMBTSMURORLO-UHFFFAOYSA-N 0 0 445.408 4.867 50 0 IJAARN COc1cc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)ccc1O ZINC000008590021 556188586 /nfs/dbraw/zinc/18/85/86/556188586.db2.gz QZINTYDNAUQPGJ-DEOSSOPVSA-N 0 0 429.451 4.988 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000008594898 556189861 /nfs/dbraw/zinc/18/98/61/556189861.db2.gz DSRFLTQSBPMIRC-RUZDIDTESA-N 0 0 432.520 4.868 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 ZINC000008620490 556193206 /nfs/dbraw/zinc/19/32/06/556193206.db2.gz STXPZYLEHUHOED-UHFFFAOYSA-N 0 0 430.839 4.961 50 0 IJAARN O=S(=O)(NCCSCc1ccco1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008674293 556198519 /nfs/dbraw/zinc/19/85/19/556198519.db2.gz OJOZHSSJKJTOIP-UHFFFAOYSA-N 0 0 433.395 4.529 50 0 IJAARN C[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000008691705 556200541 /nfs/dbraw/zinc/20/05/41/556200541.db2.gz DBIQHFCAMXCREQ-LJQANCHMSA-N 0 0 432.564 4.989 50 0 IJAARN Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O ZINC000008710291 556201394 /nfs/dbraw/zinc/20/13/94/556201394.db2.gz RUDYBEAVSGOTBV-OAQYLSRUSA-N 0 0 444.579 4.576 50 0 IJAARN CSc1nnc(CCCNC(=O)c2ccc(-c3ccccc3F)o2)n1C1CCCC1 ZINC000008746031 556209348 /nfs/dbraw/zinc/20/93/48/556209348.db2.gz PGMSDNQXLSVGAZ-UHFFFAOYSA-N 0 0 428.533 4.877 50 0 IJAARN Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)ccc1Br ZINC000008748443 556210359 /nfs/dbraw/zinc/21/03/59/556210359.db2.gz CAAYDYRBGSRUMO-UHFFFAOYSA-N 0 0 443.370 4.899 50 0 IJAARN Cc1cc2c(cc1C)-c1c(sn(-c3ccc(S(N)(=O)=O)cc3)c1=S)C(C)(C)N2 ZINC000008974632 556238053 /nfs/dbraw/zinc/23/80/53/556238053.db2.gz RNCDVHHCUFUANP-UHFFFAOYSA-N 0 0 431.608 4.860 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009130326 556248810 /nfs/dbraw/zinc/24/88/10/556248810.db2.gz KYTXUSKOKUOFTG-HXUWFJFHSA-N 0 0 443.952 4.738 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009196886 556254672 /nfs/dbraw/zinc/25/46/72/556254672.db2.gz ZLMYXLWGGGRYPE-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197061 556255165 /nfs/dbraw/zinc/25/51/65/556255165.db2.gz ICDSDOBZBRGIJJ-WOJBJXKFSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)s3)CC2=O)cc1C ZINC000009198237 556256401 /nfs/dbraw/zinc/25/64/01/556256401.db2.gz PWMZCWGTUBZKMU-MRXNPFEDSA-N 0 0 440.956 4.510 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225710 556259809 /nfs/dbraw/zinc/25/98/09/556259809.db2.gz NFSFNTUYIDJGSI-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)Cn3ncc4c5cc(C)ccc5[nH]c4c3=O)ccc21 ZINC000009225949 556260102 /nfs/dbraw/zinc/26/01/02/556260102.db2.gz VRDNDYYXLUHPKI-UHFFFAOYSA-N 0 0 449.514 4.953 50 0 IJAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)cc1 ZINC000009232079 556261326 /nfs/dbraw/zinc/26/13/26/556261326.db2.gz CNLCMNBUEGDZFC-HNNXBMFYSA-N 0 0 431.330 4.538 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009239563 556265811 /nfs/dbraw/zinc/26/58/11/556265811.db2.gz SAOWBFHCLXGKMQ-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000009262801 556269850 /nfs/dbraw/zinc/26/98/50/556269850.db2.gz JNCMWEGDYGWOKS-UHFFFAOYSA-N 0 0 442.560 4.660 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009295102 556274916 /nfs/dbraw/zinc/27/49/16/556274916.db2.gz SSEWMMNPNQGRPC-UXHICEINSA-N 0 0 441.988 4.844 50 0 IJAARN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(Cl)c1OCc1ccccc1Cl ZINC000009296064 556275213 /nfs/dbraw/zinc/27/52/13/556275213.db2.gz BSUQRLNWUPVZOL-SXGWCWSVSA-N 0 0 437.348 4.611 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)Nc1ccc(Cl)cc1 ZINC000009332473 556282968 /nfs/dbraw/zinc/28/29/68/556282968.db2.gz ZKFWLDORQWOSHF-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000009410603 556288195 /nfs/dbraw/zinc/28/81/95/556288195.db2.gz OTVGQJUOYZEYPF-MEDUHNTESA-N 0 0 436.415 4.586 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000009424248 556289550 /nfs/dbraw/zinc/28/95/50/556289550.db2.gz OVDODJYCMDKGBC-UHFFFAOYSA-N 0 0 448.589 4.600 50 0 IJAARN COc1ccc(-c2n[nH]c3c2[C@H](c2ccco2)N(CCc2c[nH]c4ccccc24)C3=O)cc1 ZINC000013728860 556294389 /nfs/dbraw/zinc/29/43/89/556294389.db2.gz SXFMWDQROJFTEJ-VWLOTQADSA-N 0 0 438.487 4.948 50 0 IJAARN Cc1ccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c(C)c1 ZINC000009526539 556297078 /nfs/dbraw/zinc/29/70/78/556297078.db2.gz BEYPIFRUJYQPKP-UHFFFAOYSA-N 0 0 442.610 4.687 50 0 IJAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000013734763 556297203 /nfs/dbraw/zinc/29/72/03/556297203.db2.gz SIEHUDRJHYXEBR-UHFFFAOYSA-N 0 0 437.276 4.649 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1CCc1cccc(OC)c1)C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000009559843 556298599 /nfs/dbraw/zinc/29/85/99/556298599.db2.gz XOWRRWYOAQTWME-IBGZPJMESA-N 0 0 447.531 4.907 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000013752095 556299411 /nfs/dbraw/zinc/29/94/11/556299411.db2.gz HCFMZKDVSNJRFB-QGZVFWFLSA-N 0 0 431.941 4.533 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000013751984 556299446 /nfs/dbraw/zinc/29/94/46/556299446.db2.gz VYIZNKFCAGXOQN-UHFFFAOYSA-N 0 0 433.537 4.836 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000032739408 556299667 /nfs/dbraw/zinc/29/96/67/556299667.db2.gz SIAPFCAWAUUAKL-HNNXBMFYSA-N 0 0 435.528 4.600 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)Cc3cc4c(cc3Br)OCCO4)c2)cs1 ZINC000032740813 556302140 /nfs/dbraw/zinc/30/21/40/556302140.db2.gz FWIWTSWVUGVUPJ-UHFFFAOYSA-N 0 0 445.338 4.833 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000009600917 556302403 /nfs/dbraw/zinc/30/24/03/556302403.db2.gz IVRNLXCFEPCVLV-HXUWFJFHSA-N 0 0 440.525 4.657 50 0 IJAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000009668081 556305254 /nfs/dbraw/zinc/30/52/54/556305254.db2.gz LCGRGAASRKSZAE-DHZHZOJOSA-N 0 0 435.911 4.547 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCc2ccc(Cl)cc2)c1C ZINC000009830241 556310019 /nfs/dbraw/zinc/31/00/19/556310019.db2.gz DAELRWJOPWINLN-UHFFFAOYSA-N 0 0 438.955 4.961 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2nnc(SCC)s2)c1C ZINC000009830255 556310389 /nfs/dbraw/zinc/31/03/89/556310389.db2.gz XYMQSXCMKGSVRP-UHFFFAOYSA-N 0 0 444.582 4.551 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000013810910 556312311 /nfs/dbraw/zinc/31/23/11/556312311.db2.gz FDYFVRRXFIMSNS-OALUTQOASA-N 0 0 449.898 4.932 50 0 IJAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000032747506 556315992 /nfs/dbraw/zinc/31/59/92/556315992.db2.gz DBRSJJSREHPCJF-SIBVEZHUSA-N 0 0 444.556 4.753 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1cccs1)Nc1ccccc1 ZINC000009934117 556317964 /nfs/dbraw/zinc/31/79/64/556317964.db2.gz AIMMIJKMRYWMOH-LJQANCHMSA-N 0 0 439.924 4.768 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000010058810 556323837 /nfs/dbraw/zinc/32/38/37/556323837.db2.gz GHXMODYLDSCOFK-QFIPXVFZSA-N 0 0 430.342 4.592 50 0 IJAARN O=C(Nc1cccc(Br)c1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000013882253 556326534 /nfs/dbraw/zinc/32/65/34/556326534.db2.gz WJNQQPRSUOOQJA-NFAYLAGKSA-N 0 0 435.753 4.628 50 0 IJAARN CCOc1ccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000010273709 556329037 /nfs/dbraw/zinc/32/90/37/556329037.db2.gz MQXXMLLJLZZOIF-UHFFFAOYSA-N 0 0 441.531 4.959 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 ZINC000013897760 556330242 /nfs/dbraw/zinc/33/02/42/556330242.db2.gz JYCYKAUQTZTGCN-HXUWFJFHSA-N 0 0 434.923 4.588 50 0 IJAARN COc1ccc(C)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000013936250 556336040 /nfs/dbraw/zinc/33/60/40/556336040.db2.gz LKKOXGZGJRTWRJ-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cc(C)ccc3C)cc2)cc1 ZINC000013936390 556336250 /nfs/dbraw/zinc/33/62/50/556336250.db2.gz KWJYWMKPCQINJG-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN Cc1cccc(-n2ccnc2CN2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663508 556344283 /nfs/dbraw/zinc/34/42/83/556344283.db2.gz IIHHYAIOQRLJQJ-QFIPXVFZSA-N 0 0 438.575 4.976 50 0 IJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cnn2c1nccc2-c1cccs1 ZINC000013959910 556346719 /nfs/dbraw/zinc/34/67/19/556346719.db2.gz JTZXCEXSQIPVNV-UHFFFAOYSA-N 0 0 442.548 4.880 50 0 IJAARN FC(F)Oc1ccc(-c2nnc(C34C[C@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)o2)cc1 ZINC000013960056 556346935 /nfs/dbraw/zinc/34/69/35/556346935.db2.gz KYPJAGKFLNZFSU-GWEVUABKSA-N 0 0 447.873 4.830 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1)N1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000013983805 556351512 /nfs/dbraw/zinc/35/15/12/556351512.db2.gz UUUNLRDBPNBVKQ-PWHKKFIBSA-N 0 0 429.347 4.781 50 0 IJAARN COc1ccccc1[C@@H]1CCCN1C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011783220 556351829 /nfs/dbraw/zinc/35/18/29/556351829.db2.gz ZHBJUIYOZJSMGG-OFVILXPXSA-N 0 0 440.971 4.684 50 0 IJAARN Cc1c(NC(=O)CCS[C@H](C)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000032778745 556351831 /nfs/dbraw/zinc/35/18/31/556351831.db2.gz CIZRFRHGOGDILH-MRXNPFEDSA-N 0 0 429.973 4.961 50 0 IJAARN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013988561 556352865 /nfs/dbraw/zinc/35/28/65/556352865.db2.gz WSBWLCNFVLVWIV-FOLPRYHFSA-N 0 0 447.572 4.603 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000014049023 556358530 /nfs/dbraw/zinc/35/85/30/556358530.db2.gz JSZXZHUEMFBUNC-UHFFFAOYSA-N 0 0 429.879 4.542 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000014068534 556360066 /nfs/dbraw/zinc/36/00/66/556360066.db2.gz YWZOZPHGROQPJN-IBGZPJMESA-N 0 0 428.916 4.791 50 0 IJAARN O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)N1CCC(c2ccccc2)=N1 ZINC000014083688 556363583 /nfs/dbraw/zinc/36/35/83/556363583.db2.gz BDTGBLZBHURYNS-XMMPIXPASA-N 0 0 449.601 4.701 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000014113481 556370168 /nfs/dbraw/zinc/37/01/68/556370168.db2.gz DHBVVPWGIZXSDL-UHFFFAOYSA-N 0 0 447.970 4.755 50 0 IJAARN C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000014118325 556371625 /nfs/dbraw/zinc/37/16/25/556371625.db2.gz CRXMIBDMTOYFQH-AWEZNQCLSA-N 0 0 434.367 4.955 50 0 IJAARN C/C(=C\c1ccccc1)CN(C)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 ZINC000011881348 556373261 /nfs/dbraw/zinc/37/32/61/556373261.db2.gz LNWALDDZDNOEDP-QFXGEWDLSA-N 0 0 449.624 4.680 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000014138309 556375771 /nfs/dbraw/zinc/37/57/71/556375771.db2.gz UYCRFCKFAHPENX-YADHBBJMSA-N 0 0 434.923 4.841 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011913938 556376263 /nfs/dbraw/zinc/37/62/63/556376263.db2.gz KYTXUSKOKUOFTG-FQEVSTJZSA-N 0 0 443.952 4.738 50 0 IJAARN Cc1ccc(-c2ccsc2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000014142236 556377200 /nfs/dbraw/zinc/37/72/00/556377200.db2.gz KGRLRFYYISGLQU-UHFFFAOYSA-N 0 0 428.560 4.989 50 0 IJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000011933924 556377268 /nfs/dbraw/zinc/37/72/68/556377268.db2.gz KZZYXUQBIWLNKZ-SFHVURJKSA-N 0 0 440.503 4.846 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CC=CC[C@H]1C(=O)N1CCCC1 ZINC000014161205 556378191 /nfs/dbraw/zinc/37/81/91/556378191.db2.gz JUQWHAAUWYYIPU-ZIAGYGMSSA-N 0 0 445.279 4.611 50 0 IJAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000014169592 556380846 /nfs/dbraw/zinc/38/08/46/556380846.db2.gz JOXSNDIWXRLNCC-UHFFFAOYSA-N 0 0 428.941 4.749 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000011990395 556383867 /nfs/dbraw/zinc/38/38/67/556383867.db2.gz KQKIOEMMNMQZGY-GJZUVCINSA-N 0 0 425.488 4.606 50 0 IJAARN CC(C)CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cs1 ZINC000014188082 556386629 /nfs/dbraw/zinc/38/66/29/556386629.db2.gz JOMLNCICJIUONN-HNNXBMFYSA-N 0 0 431.558 4.624 50 0 IJAARN CCOC(=O)Cc1csc(=S)n1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000014197099 556388904 /nfs/dbraw/zinc/38/89/04/556388904.db2.gz UZIOSTZYWPCOOR-UHFFFAOYSA-N 0 0 433.624 4.831 50 0 IJAARN CCOCCCNC(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000012053012 556392847 /nfs/dbraw/zinc/39/28/47/556392847.db2.gz MOFNDHMCFSTWBN-UHFFFAOYSA-N 0 0 434.540 4.560 50 0 IJAARN O[C@H]1Cc2ccc3ccccc3c2N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000032809756 556394452 /nfs/dbraw/zinc/39/44/52/556394452.db2.gz DGAOUJSEXOIXOV-SFHVURJKSA-N 0 0 425.410 4.832 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)c1C ZINC000032810809 556397467 /nfs/dbraw/zinc/39/74/67/556397467.db2.gz MDLCDKNNBKJXHZ-UHFFFAOYSA-N 0 0 435.311 4.612 50 0 IJAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCc3ccco3)c3ccc(C)cc3)n[nH]2)cc1 ZINC000012080332 556398688 /nfs/dbraw/zinc/39/86/88/556398688.db2.gz OBDZDGJHXPRWBU-NRFANRHFSA-N 0 0 448.548 4.922 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000012571399 556408493 /nfs/dbraw/zinc/40/84/93/556408493.db2.gz OYSSNUWMMYLNMS-IBGZPJMESA-N 0 0 441.453 4.685 50 0 IJAARN Cc1ccccc1[C@H]1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)CCS1 ZINC000219295299 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4.637 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000032678593 556416266 /nfs/dbraw/zinc/41/62/66/556416266.db2.gz XXIWOYCMFQZIFZ-UHFFFAOYSA-N 0 0 433.533 4.549 50 0 IJAARN COc1ccc(-c2noc(CSc3ccccc3C(=O)OCC(=O)C(C)(C)C)n2)cc1 ZINC000012975839 556421291 /nfs/dbraw/zinc/42/12/91/556421291.db2.gz LMOREVZQKCCZTC-UHFFFAOYSA-N 0 0 440.521 4.810 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012975914 556421559 /nfs/dbraw/zinc/42/15/59/556421559.db2.gz RNRADLIYKSLMPR-MRXNPFEDSA-N 0 0 441.549 4.781 50 0 IJAARN Cc1ccc([C@H](NC(=O)CSc2nc3sccc3c(N)n2)c2cccs2)cc1 ZINC000032841114 556426816 /nfs/dbraw/zinc/42/68/16/556426816.db2.gz MHDKLWBURFCAPU-KRWDZBQOSA-N 0 0 426.592 4.641 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)Nc3nc(-c4cccs4)cs3)c(=O)oc2c1 ZINC000032843313 556428385 /nfs/dbraw/zinc/42/83/85/556428385.db2.gz HOGBRUAYKHWWCN-UHFFFAOYSA-N 0 0 426.519 4.866 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000012991756 556428638 /nfs/dbraw/zinc/42/86/38/556428638.db2.gz XBNWNCMIYGYDQC-GFCCVEGCSA-N 0 0 435.387 4.655 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032847844 556430305 /nfs/dbraw/zinc/43/03/05/556430305.db2.gz KROQZKMESHMASC-UHFFFAOYSA-N 0 0 444.355 4.878 50 0 IJAARN COc1cc(CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc(OC)c1OC ZINC000032847960 556430577 /nfs/dbraw/zinc/43/05/77/556430577.db2.gz LHOGTGCKRMIYIM-UHFFFAOYSA-N 0 0 437.458 4.859 50 0 IJAARN Cc1ccc(NC(=O)CN(C)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000012996910 556431610 /nfs/dbraw/zinc/43/16/10/556431610.db2.gz ZLMYRGYGMIWTAP-UHFFFAOYSA-N 0 0 430.371 4.952 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(F)cc3)c3ccccc32)cc1 ZINC000011025613 556434895 /nfs/dbraw/zinc/43/48/95/556434895.db2.gz QTFCPCCMTLHRSM-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC ZINC000013011838 556435903 /nfs/dbraw/zinc/43/59/03/556435903.db2.gz PCKXVDUIUFNAJD-UHFFFAOYSA-N 0 0 445.497 4.740 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2Cc2ccco2)cc1OC ZINC000013014107 556436604 /nfs/dbraw/zinc/43/66/04/556436604.db2.gz SSRLYISTVJUMPF-UHFFFAOYSA-N 0 0 449.532 4.887 50 0 IJAARN Cc1ccc(-c2csc3ncnc(S[C@@H](C(=O)NC(N)=O)c4ccccc4)c23)cc1 ZINC000013015165 556437324 /nfs/dbraw/zinc/43/73/24/556437324.db2.gz DAIAVWXYFSGKOD-GOSISDBHSA-N 0 0 434.546 4.695 50 0 IJAARN NC(=O)N[C@@H](CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000013018140 556438991 /nfs/dbraw/zinc/43/89/91/556438991.db2.gz SEHOVTTUQFZOLL-ZEQRLZLVSA-N 0 0 429.520 4.772 50 0 IJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000027991496 556440091 /nfs/dbraw/zinc/44/00/91/556440091.db2.gz KCUOUOILPYGHTH-NRFANRHFSA-N 0 0 426.944 4.815 50 0 IJAARN COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027993663 556440666 /nfs/dbraw/zinc/44/06/66/556440666.db2.gz VROSULAGXUFSIO-HNNXBMFYSA-N 0 0 430.957 4.907 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000027995380 556441092 /nfs/dbraw/zinc/44/10/92/556441092.db2.gz VRWSNPFTBAZTGT-AWEZNQCLSA-N 0 0 430.501 4.696 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 ZINC000032691648 556441227 /nfs/dbraw/zinc/44/12/27/556441227.db2.gz AYTRNVPFHGILBV-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN CC(C)(C)c1cc(CCC(=O)OCc2cc(=O)n3ccsc3n2)cc(C(C)(C)C)c1O ZINC000013040505 556446190 /nfs/dbraw/zinc/44/61/90/556446190.db2.gz QHLTWHGOOJNNFM-UHFFFAOYSA-N 0 0 442.581 4.733 50 0 IJAARN O=C(NCc1ccccc1Cn1ccnc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032859991 556446638 /nfs/dbraw/zinc/44/66/38/556446638.db2.gz MFTOFQYVPOUAPJ-UHFFFAOYSA-N 0 0 427.348 4.899 50 0 IJAARN CCCOc1ccc(-c2nsc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1OC ZINC000028287284 556447879 /nfs/dbraw/zinc/44/78/79/556447879.db2.gz HYNSVUMYEUXHBV-UHFFFAOYSA-N 0 0 427.526 4.637 50 0 IJAARN C[C@H](NC(=O)CSc1nc(-c2ccco2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000032868683 556449206 /nfs/dbraw/zinc/44/92/06/556449206.db2.gz AHRKLPHUTKKEQQ-HNNXBMFYSA-N 0 0 447.516 4.631 50 0 IJAARN COc1cc(C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc(OC)c1OC ZINC000028289648 556449260 /nfs/dbraw/zinc/44/92/60/556449260.db2.gz RDJWOULSGDUNEU-UHFFFAOYSA-N 0 0 430.863 4.747 50 0 IJAARN C[C@@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)C1 ZINC000028406113 556454080 /nfs/dbraw/zinc/45/40/80/556454080.db2.gz QGKGEANJRXVLFF-MRXNPFEDSA-N 0 0 428.496 4.524 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c3c(C)noc3n2)s1 ZINC000028430522 556454693 /nfs/dbraw/zinc/45/46/93/556454693.db2.gz FZKQKCBOMWAFQY-UHFFFAOYSA-N 0 0 435.505 4.612 50 0 IJAARN COC(=O)c1ccc(COc2ccc([C@H]3C[C@@H](c4ccccc4)Nc4ncnn43)cc2)cc1 ZINC000013097408 556457874 /nfs/dbraw/zinc/45/78/74/556457874.db2.gz MIOVSTFUOCAKEG-BJKOFHAPSA-N 0 0 440.503 4.790 50 0 IJAARN Cc1c(C(=O)NCCc2cccs2)sc2ncnc(N[C@@H](C)c3nccs3)c12 ZINC000014955416 556461851 /nfs/dbraw/zinc/46/18/51/556461851.db2.gz PHNNWDFSSASZIR-LBPRGKRZSA-N 0 0 429.596 4.663 50 0 IJAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000032959115 556465010 /nfs/dbraw/zinc/46/50/10/556465010.db2.gz MBOBKMYSLHEHOI-UHFFFAOYSA-N 0 0 449.894 4.577 50 0 IJAARN NC(=O)N[C@H](CC(=O)Nc1cccc2ncccc21)c1cccc(Oc2ccccc2)c1 ZINC000013112643 556465460 /nfs/dbraw/zinc/46/54/60/556465460.db2.gz PUSZVWRXPQYPMT-HSZRJFAPSA-N 0 0 426.476 4.765 50 0 IJAARN CO[C@H](C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1)c1ccccc1 ZINC000014973386 556467726 /nfs/dbraw/zinc/46/77/26/556467726.db2.gz ULPYOBNDGLAKMJ-MBSDFSHPSA-N 0 0 439.508 4.564 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000014979552 556470167 /nfs/dbraw/zinc/47/01/67/556470167.db2.gz NTWLUTFIWWDIBS-SFHVURJKSA-N 0 0 428.960 4.939 50 0 IJAARN O=C(CSc1ccncc1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255279 556470827 /nfs/dbraw/zinc/47/08/27/556470827.db2.gz NZXWGSCMRUSILN-UHFFFAOYSA-N 0 0 444.025 4.900 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCCN3CCOC3=O)n2Cc2ccccc2)cc1 ZINC000029257316 556470909 /nfs/dbraw/zinc/47/09/09/556470909.db2.gz VCZZSBKNPICRNL-UHFFFAOYSA-N 0 0 436.581 4.835 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000029252393 556470933 /nfs/dbraw/zinc/47/09/33/556470933.db2.gz KCULRUJSVZYQAC-UHFFFAOYSA-N 0 0 438.734 4.947 50 0 IJAARN c1sc(-c2ccccc2)nc1CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000013120744 556472965 /nfs/dbraw/zinc/47/29/65/556472965.db2.gz HINPUOMVQLKRCG-UHFFFAOYSA-N 0 0 449.605 4.579 50 0 IJAARN CN1C(=O)Cc2cc(C(=O)CSc3nc(C4CCCCC4)n(-c4ccccc4)n3)ccc21 ZINC000013121289 556473832 /nfs/dbraw/zinc/47/38/32/556473832.db2.gz UTPOKHODRPPQKG-UHFFFAOYSA-N 0 0 446.576 4.809 50 0 IJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCCCCC1 ZINC000013121132 556473897 /nfs/dbraw/zinc/47/38/97/556473897.db2.gz BJMNCAMWLHPIIO-HNNXBMFYSA-N 0 0 434.993 4.729 50 0 IJAARN O=C(NC1(c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)CCCCC1)c1ccccc1 ZINC000072284608 556474961 /nfs/dbraw/zinc/47/49/61/556474961.db2.gz WVPYYUKBJUWLQN-UHFFFAOYSA-N 0 0 433.533 4.730 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000013127274 556476150 /nfs/dbraw/zinc/47/61/50/556476150.db2.gz CLWUXKMSFRDJQH-RBUKOAKNSA-N 0 0 431.521 4.747 50 0 IJAARN Cc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2C[C@H]2CCCO2)o1 ZINC000014994690 556477164 /nfs/dbraw/zinc/47/71/64/556477164.db2.gz HZKONGFDVPGAOG-HXUWFJFHSA-N 0 0 426.586 4.591 50 0 IJAARN O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)NCCO ZINC000013128643 556478169 /nfs/dbraw/zinc/47/81/69/556478169.db2.gz FQBOLPGUMSRPCK-UHFFFAOYSA-N 0 0 432.907 4.710 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)o1 ZINC000013128842 556478547 /nfs/dbraw/zinc/47/85/47/556478547.db2.gz OPCJHHQNCPCYBS-HNNXBMFYSA-N 0 0 440.506 4.763 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(-n3ccnc3)c1)CC2 ZINC000072287246 556480403 /nfs/dbraw/zinc/48/04/03/556480403.db2.gz JWTMERIPPDKNCJ-DEOSSOPVSA-N 0 0 445.544 4.739 50 0 IJAARN CCCN(CC(=O)Nc1ccc([C@H](C)CC)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013134781 556482918 /nfs/dbraw/zinc/48/29/18/556482918.db2.gz RNQIFNMNEXYRNB-OAHLLOKOSA-N 0 0 435.490 4.907 50 0 IJAARN CCCN(CC(=O)Nc1ccc([C@@H](C)CC)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013134780 556482931 /nfs/dbraw/zinc/48/29/31/556482931.db2.gz RNQIFNMNEXYRNB-HNNXBMFYSA-N 0 0 435.490 4.907 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000029839662 556483839 /nfs/dbraw/zinc/48/38/39/556483839.db2.gz ATVWZHZMMVCBJE-GGAORHGYSA-N 0 0 430.573 4.775 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000029868826 556484788 /nfs/dbraw/zinc/48/47/88/556484788.db2.gz DVGHZXDHMKCEOO-CQSZACIVSA-N 0 0 426.548 4.816 50 0 IJAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(SC[C@H]3CCCCO3)oc2c1 ZINC000029904091 556486314 /nfs/dbraw/zinc/48/63/14/556486314.db2.gz DBLNQDYLNZQIEX-CYBMUJFWSA-N 0 0 438.958 4.943 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc(F)c(Cl)c1 ZINC000013141123 556486351 /nfs/dbraw/zinc/48/63/51/556486351.db2.gz IXYZYNBYOGYASV-UHFFFAOYSA-N 0 0 439.221 4.925 50 0 IJAARN COc1ccccc1CNC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2OC)c1 ZINC000013146124 556488091 /nfs/dbraw/zinc/48/80/91/556488091.db2.gz LDFZCQVCQILYBQ-UHFFFAOYSA-N 0 0 448.523 4.656 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ncc(C(F)(F)F)cc1Cl ZINC000013145759 556488107 /nfs/dbraw/zinc/48/81/07/556488107.db2.gz KNCMWJFFOOPVOJ-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc(-c3ccccc3)no2)cc1 ZINC000029989142 556488597 /nfs/dbraw/zinc/48/85/97/556488597.db2.gz RMTNBNDCYJOGHL-UHFFFAOYSA-N 0 0 442.500 4.737 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030660 556489155 /nfs/dbraw/zinc/48/91/55/556489155.db2.gz KFTPQTQYLASHSZ-OAHLLOKOSA-N 0 0 440.897 4.602 50 0 IJAARN COc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1OC ZINC000030013211 556489306 /nfs/dbraw/zinc/48/93/06/556489306.db2.gz ANLMQMLZFNEEQZ-UHFFFAOYSA-N 0 0 447.535 4.844 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3cc(=O)c4ccccc4o3)cs2)cc1OC ZINC000013148849 556490342 /nfs/dbraw/zinc/49/03/42/556490342.db2.gz QRWLLWAZGQXVBK-UHFFFAOYSA-N 0 0 437.473 4.681 50 0 IJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000013149553 556491300 /nfs/dbraw/zinc/49/13/00/556491300.db2.gz NIAGTRSETWADQR-UHFFFAOYSA-N 0 0 431.488 4.647 50 0 IJAARN O=C([C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000030471385 556494795 /nfs/dbraw/zinc/49/47/95/556494795.db2.gz GNOMQHIHIOICHL-GOSISDBHSA-N 0 0 426.900 4.607 50 0 IJAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000013164722 556497010 /nfs/dbraw/zinc/49/70/10/556497010.db2.gz NNQSDURDLBJYFK-NRFANRHFSA-N 0 0 445.519 4.551 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N(C)Cc4nc5ccccc5o4)no3)ccc2s1 ZINC000015076533 556499533 /nfs/dbraw/zinc/49/95/33/556499533.db2.gz UKSBXXAVJRMNTL-UHFFFAOYSA-N 0 0 434.477 4.585 50 0 IJAARN COC(=O)[C@@](C)(c1ccc(Br)cc1)N(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000072292709 556502011 /nfs/dbraw/zinc/50/20/11/556502011.db2.gz ZICMUJJMFWYVNG-GOSISDBHSA-N 0 0 444.247 4.628 50 0 IJAARN O=C1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000013435567 556506277 /nfs/dbraw/zinc/50/62/77/556506277.db2.gz XDRGBAJBRHEMCV-SLQPCKNISA-N 0 0 432.516 4.690 50 0 IJAARN CCOC(=O)c1sc(/[S@](C)=N/S(=O)(=O)c2ccccc2Cl)c2c1CCC=C2 ZINC000013466339 556507242 /nfs/dbraw/zinc/50/72/42/556507242.db2.gz JFVDKJPDYVYRJY-AREMUKBSSA-N 0 0 443.999 4.717 50 0 IJAARN CC(=O)N[C@@H](CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cccs1 ZINC000032879908 556507610 /nfs/dbraw/zinc/50/76/10/556507610.db2.gz FDTUSCZLAPNQCD-CQADTRMUSA-N 0 0 430.573 4.729 50 0 IJAARN Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000013479306 556507962 /nfs/dbraw/zinc/50/79/62/556507962.db2.gz SSAZWUSSMIDYKX-QGZVFWFLSA-N 0 0 444.815 4.645 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000032889015 556511488 /nfs/dbraw/zinc/51/14/88/556511488.db2.gz HAILGOGMZNMELU-UHFFFAOYSA-N 0 0 446.381 4.851 50 0 IJAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCc1ccco1 ZINC000013536233 556513208 /nfs/dbraw/zinc/51/32/08/556513208.db2.gz HARBKQVFJMEDHW-UHFFFAOYSA-N 0 0 435.553 4.896 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000015474260 556529874 /nfs/dbraw/zinc/52/98/74/556529874.db2.gz UDJKAVXIGHHIPE-UHFFFAOYSA-N 0 0 444.812 4.558 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000015539717 556533802 /nfs/dbraw/zinc/53/38/02/556533802.db2.gz AANNNPAHCUMREG-UHFFFAOYSA-N 0 0 440.521 4.537 50 0 IJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000015574993 556535597 /nfs/dbraw/zinc/53/55/97/556535597.db2.gz KHKIMAMHXXRYJP-SJORKVTESA-N 0 0 434.989 4.594 50 0 IJAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000032904360 556543727 /nfs/dbraw/zinc/54/37/27/556543727.db2.gz GWUNWDYNDDJMCR-JOCHJYFZSA-N 0 0 442.588 4.958 50 0 IJAARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013658991 556546589 /nfs/dbraw/zinc/54/65/89/556546589.db2.gz UXQUZXKOZPXCFG-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721808 556547484 /nfs/dbraw/zinc/54/74/84/556547484.db2.gz RLEXZKWYEBJHNW-OOXRCSQSSA-N 0 0 425.532 4.610 50 0 IJAARN O=C(CN1CCCC1=O)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000032727285 556548420 /nfs/dbraw/zinc/54/84/20/556548420.db2.gz DJVOGJWAJVHKER-HSZRJFAPSA-N 0 0 437.543 4.705 50 0 IJAARN O=C(NC[C@H]1CCCO1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 ZINC000015769825 556550257 /nfs/dbraw/zinc/55/02/57/556550257.db2.gz MGFKOJWQHKROIX-GFDSCVEPSA-N 0 0 442.515 4.545 50 0 IJAARN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000015769710 556550268 /nfs/dbraw/zinc/55/02/68/556550268.db2.gz SOVJBVYYVHADQB-SVTVQYSDSA-N 0 0 442.540 4.996 50 0 IJAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@H]1c1cccc(F)c1F ZINC000032997839 556551975 /nfs/dbraw/zinc/55/19/75/556551975.db2.gz AIUJBEHSJYEDDU-FQEVSTJZSA-N 0 0 446.454 4.902 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000015829533 556554175 /nfs/dbraw/zinc/55/41/75/556554175.db2.gz XEKWDGHDRSVTBP-LJQANCHMSA-N 0 0 446.341 4.793 50 0 IJAARN Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000072305856 556556489 /nfs/dbraw/zinc/55/64/89/556556489.db2.gz ADLWSBDOFIXUBA-LLVKDONJSA-N 0 0 432.908 4.893 50 0 IJAARN CCc1ccc(OCC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033266264 556557685 /nfs/dbraw/zinc/55/76/85/556557685.db2.gz PASSWIZIJCUMJK-QHCPKHFHSA-N 0 0 431.467 4.723 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccccc5)C4)nccn3n2)c(C)c1 ZINC000033266483 556557911 /nfs/dbraw/zinc/55/79/11/556557911.db2.gz STZUMVCKMDBLIG-JOCHJYFZSA-N 0 0 439.563 4.546 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 ZINC000015881941 556560502 /nfs/dbraw/zinc/56/05/02/556560502.db2.gz LNUQSNJXPCWYCA-UHFFFAOYSA-N 0 0 445.976 4.832 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2-n2cccc2)c1 ZINC000015881968 556560872 /nfs/dbraw/zinc/56/08/72/556560872.db2.gz NYMRRSBOMWTJHN-UHFFFAOYSA-N 0 0 447.564 4.723 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)n1-n1cccc1 ZINC000015882515 556561348 /nfs/dbraw/zinc/56/13/48/556561348.db2.gz CDFWSRAIKRLASS-UHFFFAOYSA-N 0 0 429.958 4.812 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1Cc1ccccc1 ZINC000015996211 556571778 /nfs/dbraw/zinc/57/17/78/556571778.db2.gz FUWOGXBJWYITRL-UHFFFAOYSA-N 0 0 437.337 4.751 50 0 IJAARN Cc1sc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1S(=O)(=O)N1CCCCC1 ZINC000032961416 556572504 /nfs/dbraw/zinc/57/25/04/556572504.db2.gz VJQGVVJGYVGTKX-UHFFFAOYSA-N 0 0 440.953 4.710 50 0 IJAARN CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1 ZINC000034642570 556580353 /nfs/dbraw/zinc/58/03/53/556580353.db2.gz KSERXGMCDHOLSS-LJQANCHMSA-N 0 0 433.339 4.667 50 0 investigational IJAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000016050252 556580739 /nfs/dbraw/zinc/58/07/39/556580739.db2.gz NNKXRTUOFRLJRY-UHFFFAOYSA-N 0 0 434.974 4.517 50 0 IJAARN Cc1cc(SCC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)nc2ccccc12 ZINC000032910629 556583341 /nfs/dbraw/zinc/58/33/41/556583341.db2.gz BNWMQXJOEHBIEI-UHFFFAOYSA-N 0 0 447.541 4.601 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000034872292 556585017 /nfs/dbraw/zinc/58/50/17/556585017.db2.gz QVFDUJRTIASYAP-QGZVFWFLSA-N 0 0 434.561 4.977 50 0 IJAARN C[C@H]1CCCCN1C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034920626 556586551 /nfs/dbraw/zinc/58/65/51/556586551.db2.gz WHCXCARKAJMGDH-QFBILLFUSA-N 0 0 438.490 4.608 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1C ZINC000035744756 556590598 /nfs/dbraw/zinc/59/05/98/556590598.db2.gz RSFDNRCXUGDCCG-UHFFFAOYSA-N 0 0 428.536 4.910 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000032973887 556595064 /nfs/dbraw/zinc/59/50/64/556595064.db2.gz JOOQGQLYMSYRQI-HSZRJFAPSA-N 0 0 438.474 4.937 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 ZINC000016347052 556601528 /nfs/dbraw/zinc/60/15/28/556601528.db2.gz NOWRCQAAJKHHGK-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356427 556601905 /nfs/dbraw/zinc/60/19/05/556601905.db2.gz TUQSNLMKONXHAQ-CQSZACIVSA-N 0 0 444.869 4.551 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)c1 ZINC000032983862 556602670 /nfs/dbraw/zinc/60/26/70/556602670.db2.gz NCDJSOYVNCCBQO-XKZIYDEJSA-N 0 0 434.879 4.651 50 0 IJAARN CCOc1cc(C(=O)N(C[C@@H]2COc3ccccc3C2)C(C)C)cc(OCC)c1OCC ZINC000032985084 556604600 /nfs/dbraw/zinc/60/46/00/556604600.db2.gz WKJJMZQSGLXZDU-LJQANCHMSA-N 0 0 441.568 4.985 50 0 IJAARN CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC(=O)NC3CCCC3)c2c1 ZINC000032985864 556605531 /nfs/dbraw/zinc/60/55/31/556605531.db2.gz VOUZFCHBTWGWHH-UHFFFAOYSA-N 0 0 436.483 4.655 50 0 IJAARN CCOC(=O)C1=CN(CCCOC)C=C(C(=O)OCC)C1c1ccc(-c2ccccc2)cc1 ZINC000016426323 556606545 /nfs/dbraw/zinc/60/65/45/556606545.db2.gz SLAPAYLBLUKUBQ-UHFFFAOYSA-N 0 0 449.547 4.683 50 0 IJAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1C ZINC000032996489 556611816 /nfs/dbraw/zinc/61/18/16/556611816.db2.gz PLYRRIUMJRGCFT-LJQANCHMSA-N 0 0 447.539 4.651 50 0 IJAARN CSCC[C@H](NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000016645694 556619822 /nfs/dbraw/zinc/61/98/22/556619822.db2.gz QCAHORBEJDSAIE-IBGZPJMESA-N 0 0 448.548 4.941 50 0 IJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)N2CCCCC2)cc1 ZINC000016675776 556622332 /nfs/dbraw/zinc/62/23/32/556622332.db2.gz UJHZVWGPEXPFMP-HKWRFOASSA-N 0 0 427.342 4.541 50 0 IJAARN Cc1ccc(N(C(=O)[C@H]2CCC(=O)N2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 ZINC000033745481 556629623 /nfs/dbraw/zinc/62/96/23/556629623.db2.gz FIDRULLSYHWHBD-JOCHJYFZSA-N 0 0 447.579 4.565 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)[nH]1)[C@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000005093105 556633569 /nfs/dbraw/zinc/63/35/69/556633569.db2.gz GWJQEGOXVQKVGA-DEOSSOPVSA-N 0 0 426.582 4.876 50 0 IJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)o3)n2)cn1 ZINC000040287720 556634625 /nfs/dbraw/zinc/63/46/25/556634625.db2.gz QQDFNNHUOCPRRD-UHFFFAOYSA-N 0 0 425.242 4.715 50 0 IJAARN O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000016779446 556641044 /nfs/dbraw/zinc/64/10/44/556641044.db2.gz GXBBOHONSYDFSX-NCQAQJBZSA-N 0 0 431.904 4.783 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 ZINC000016805129 556643397 /nfs/dbraw/zinc/64/33/97/556643397.db2.gz LXXPPIDXAHXIRA-UHFFFAOYSA-N 0 0 428.901 4.872 50 0 IJAARN O=C(Cn1c2ccccc2n2c1nc(-c1ccccc1)cc2=O)Nc1ccccc1Cl ZINC000040484878 556643777 /nfs/dbraw/zinc/64/37/77/556643777.db2.gz RBNIUBMQVKUPSF-UHFFFAOYSA-N 0 0 428.879 4.608 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037601737 556646407 /nfs/dbraw/zinc/64/64/07/556646407.db2.gz NVFUNNAMUDKATN-DQEYMECFSA-N 0 0 436.596 4.807 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(=O)NCC1CC1 ZINC000037601885 556646455 /nfs/dbraw/zinc/64/64/55/556646455.db2.gz DIZYAPPSHVMBFZ-DQEYMECFSA-N 0 0 434.580 4.500 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1F ZINC000016845036 556646574 /nfs/dbraw/zinc/64/65/74/556646574.db2.gz HKYUBSCKSALYOH-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN CCn1c(=O)c2scc(-c3ccc(C)cc3)c2nc1SCC(=O)NC1CCCC1 ZINC000016846148 556647069 /nfs/dbraw/zinc/64/70/69/556647069.db2.gz DRHXLYCYVMTXKA-UHFFFAOYSA-N 0 0 427.595 4.604 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000011765245 556654494 /nfs/dbraw/zinc/65/44/94/556654494.db2.gz BOGFCPYSAWXZMX-OAQYLSRUSA-N 0 0 446.016 4.739 50 0 IJAARN Cc1nc2scc(-c3cccc(NC(=O)[C@H](C)Oc4cccc(F)c4)c3)n2c(=O)c1C ZINC000011773391 556655101 /nfs/dbraw/zinc/65/51/01/556655101.db2.gz GDZIEIUUOHUMCA-HNNXBMFYSA-N 0 0 437.496 4.585 50 0 IJAARN CC(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)C3)s1 ZINC000011784047 556655230 /nfs/dbraw/zinc/65/52/30/556655230.db2.gz WARQOMWQFZMFNJ-BODMPHMZSA-N 0 0 427.953 4.903 50 0 IJAARN O=C1N[C@]2(CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]32)NN1c1ccccc1 ZINC000248006851 556655915 /nfs/dbraw/zinc/65/59/15/556655915.db2.gz UBLXJJQOWTZNHB-JAYJDBRPSA-N 0 0 426.520 4.779 50 0 IJAARN Cc1cc(NS(=O)(=O)Cc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007824 556656843 /nfs/dbraw/zinc/65/68/43/556656843.db2.gz IXQNRWMLPBPFRQ-UHFFFAOYSA-N 0 0 437.546 4.799 50 0 IJAARN CC(C)c1c(C(=O)NCCc2cc(F)cc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000060310238 556657474 /nfs/dbraw/zinc/65/74/74/556657474.db2.gz NJLRRXIBDUDZKF-UHFFFAOYSA-N 0 0 438.400 4.660 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248027735 556657915 /nfs/dbraw/zinc/65/79/15/556657915.db2.gz SOMIDSIHUPUOAD-SJLPKXTDSA-N 0 0 433.257 4.541 50 0 IJAARN C[C@H](c1ccccc1)N1C(=S)NNC1=C1C=C(c2cccc(Br)c2)N=N1 ZINC000017094750 556657932 /nfs/dbraw/zinc/65/79/32/556657932.db2.gz CLSGMLWIIDVSQP-GFCCVEGCSA-N 0 0 426.343 4.996 50 0 IJAARN Cc1ccn(CN(C)C(=O)Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)n1 ZINC000017095540 556659005 /nfs/dbraw/zinc/65/90/05/556659005.db2.gz SXORHUQXUMCALL-UHFFFAOYSA-N 0 0 427.552 4.763 50 0 IJAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4csc5ccccc45)c(=O)c23)C1 ZINC000017095567 556659098 /nfs/dbraw/zinc/65/90/98/556659098.db2.gz ORGZJJTYHBRPEZ-JTQLQIEISA-N 0 0 427.576 4.844 50 0 IJAARN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCN(c2ccccc2)CC1 ZINC000017096235 556660019 /nfs/dbraw/zinc/66/00/19/556660019.db2.gz LZNXLMYFOLQRCH-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COC(=O)c1cc(-c2ccccc2F)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645346 556660201 /nfs/dbraw/zinc/66/02/01/556660201.db2.gz UQWBFKZOUUXJMW-UHFFFAOYSA-N 0 0 430.361 4.766 50 0 IJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc(C)cc3)n2)cc1 ZINC000033013030 556662358 /nfs/dbraw/zinc/66/23/58/556662358.db2.gz FAOZFVMLRMXWQF-UHFFFAOYSA-N 0 0 429.476 4.563 50 0 IJAARN CCC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000248112514 556664374 /nfs/dbraw/zinc/66/43/74/556664374.db2.gz OJSRRWFPZKEZNG-HCYUJWNOSA-N 0 0 438.568 4.801 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 ZINC000017099342 556664744 /nfs/dbraw/zinc/66/47/44/556664744.db2.gz FAYQCSWLTQPUAG-UHFFFAOYSA-N 0 0 434.974 4.859 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000011865480 556665234 /nfs/dbraw/zinc/66/52/34/556665234.db2.gz GNWGMEBZQIULJM-INIZCTEOSA-N 0 0 437.920 4.998 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC ZINC000011865776 556665664 /nfs/dbraw/zinc/66/56/64/556665664.db2.gz ZUNHESDTTJXGSL-UHFFFAOYSA-N 0 0 438.427 4.907 50 0 IJAARN COC(=O)c1sc(NC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)nc1C ZINC000017102792 556666920 /nfs/dbraw/zinc/66/69/20/556666920.db2.gz SALFJNPUFUKNER-UHFFFAOYSA-N 0 0 438.896 4.754 50 0 IJAARN NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1ccc(Cl)cc1Cl ZINC000017103231 556667647 /nfs/dbraw/zinc/66/76/47/556667647.db2.gz HFUDAHUDJKRPKL-UHFFFAOYSA-N 0 0 439.393 4.585 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@H]3c3cccs3)c(=O)c12 ZINC000017130667 556669095 /nfs/dbraw/zinc/66/90/95/556669095.db2.gz PISFBPAFKAFEED-KRWDZBQOSA-N 0 0 435.574 4.859 50 0 IJAARN CCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000011914948 556674170 /nfs/dbraw/zinc/67/41/70/556674170.db2.gz SWOJUUNHIUUXAD-RUZDIDTESA-N 0 0 440.503 4.630 50 0 IJAARN CC(C)(C)NC(=O)c1ccc(NC(=O)c2nc(NCc3ccccc3)ncc2Cl)cc1 ZINC000032932289 556675339 /nfs/dbraw/zinc/67/53/39/556675339.db2.gz RODDUVKOEFJCAD-UHFFFAOYSA-N 0 0 437.931 4.523 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000011969591 556677600 /nfs/dbraw/zinc/67/76/00/556677600.db2.gz AVTHKPQSGKZQAU-UHFFFAOYSA-N 0 0 435.505 4.618 50 0 IJAARN CCc1ccccc1N(C(C)=O)c1nc(COc2ccc(Cl)cc2C(N)=O)cs1 ZINC000011114715 556684902 /nfs/dbraw/zinc/68/49/02/556684902.db2.gz IMJNDFZLIJIALG-UHFFFAOYSA-N 0 0 429.929 4.721 50 0 IJAARN FC(F)(F)c1nc2ccccc2n1Cc1nnc2sc(/C=C/c3ccccc3)nn12 ZINC000045221541 556685666 /nfs/dbraw/zinc/68/56/66/556685666.db2.gz HNSRBPXHRJKHQK-ZHACJKMWSA-N 0 0 426.427 4.773 50 0 IJAARN O=c1cc(CSc2n[nH]c(Cc3cccs3)n2)c2ccc(Br)cc2o1 ZINC000010634048 556686383 /nfs/dbraw/zinc/68/63/83/556686383.db2.gz WMXRWFHYAHPDIO-UHFFFAOYSA-N 0 0 434.340 4.618 50 0 IJAARN C[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000010640540 556686936 /nfs/dbraw/zinc/68/69/36/556686936.db2.gz LCBVIKUZTALOGX-GFCCVEGCSA-N 0 0 445.470 4.952 50 0 IJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(OC)cc(OC)c4)nccn3n2)cc1 ZINC000046005349 556689380 /nfs/dbraw/zinc/68/93/80/556689380.db2.gz VPPSEADHJJNUGR-UHFFFAOYSA-N 0 0 448.548 4.707 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1Cl ZINC000032937508 556690272 /nfs/dbraw/zinc/69/02/72/556690272.db2.gz LXSKDVANVWRBDR-KRWDZBQOSA-N 0 0 435.883 4.948 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000046006697 556690584 /nfs/dbraw/zinc/69/05/84/556690584.db2.gz DFEFQVUTJLDDHG-UHFFFAOYSA-N 0 0 448.954 4.948 50 0 IJAARN COc1ccccc1NC(=O)CCc1c(C)c2c(C)nn(-c3ccc(C)cc3)c2nc1OC ZINC000046006493 556690592 /nfs/dbraw/zinc/69/05/92/556690592.db2.gz IXWOPUNDCFRULD-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)cc2)c1 ZINC000046138872 556691429 /nfs/dbraw/zinc/69/14/29/556691429.db2.gz PERQTNPJTQRQED-NRFANRHFSA-N 0 0 431.536 4.798 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776336 556694789 /nfs/dbraw/zinc/69/47/89/556694789.db2.gz QZIYNYIYZDLPBX-JWQCQUIFSA-N 0 0 444.531 4.714 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)NC(C)C)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776337 556694827 /nfs/dbraw/zinc/69/48/27/556694827.db2.gz QZIYNYIYZDLPBX-LOSJGSFVSA-N 0 0 444.531 4.714 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)cc3cc(OC)c(OC)cc32)cc1 ZINC000013564564 556697708 /nfs/dbraw/zinc/69/77/08/556697708.db2.gz IAMSSUBBDFVPIQ-NRFANRHFSA-N 0 0 435.520 4.832 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 ZINC000013583323 556699607 /nfs/dbraw/zinc/69/96/07/556699607.db2.gz HBFVRJPCSJRMHT-UHFFFAOYSA-N 0 0 434.561 4.870 50 0 IJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccc(F)c(Cl)c3)nc3cccnc32)cc1 ZINC000033025484 556700502 /nfs/dbraw/zinc/70/05/02/556700502.db2.gz RRPWPOBOHHEUKV-UHFFFAOYSA-N 0 0 437.906 4.945 50 0 IJAARN CN(C)c1cccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccccc2)c1 ZINC000033025667 556701171 /nfs/dbraw/zinc/70/11/71/556701171.db2.gz GGAGCLJQYOOWDX-UHFFFAOYSA-N 0 0 435.597 4.541 50 0 IJAARN CCCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026864 556704157 /nfs/dbraw/zinc/70/41/57/556704157.db2.gz LCVCOPLTEHLJPT-UHFFFAOYSA-N 0 0 437.503 4.958 50 0 IJAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)Nc1cccc(C(F)(F)F)c1 ZINC000033031590 556711008 /nfs/dbraw/zinc/71/10/08/556711008.db2.gz PQUXUXVAMUKXSO-UHFFFAOYSA-N 0 0 431.389 4.831 50 0 IJAARN CCCCNC(=O)c1ccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)cc1 ZINC000033031935 556712232 /nfs/dbraw/zinc/71/22/32/556712232.db2.gz ZOEHQPKADHMJMN-UHFFFAOYSA-N 0 0 438.553 4.516 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@H](OCc2cccnc2)C1 ZINC000019223088 556716232 /nfs/dbraw/zinc/71/62/32/556716232.db2.gz DRUYIXXZSAQABU-KRWDZBQOSA-N 0 0 441.915 4.608 50 0 IJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)COc1ccccc1C ZINC000033036381 556717966 /nfs/dbraw/zinc/71/79/66/556717966.db2.gz SXWKFWPVSFUZMU-UHFFFAOYSA-N 0 0 447.358 4.538 50 0 IJAARN CCOc1cccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c1 ZINC000072328491 556725926 /nfs/dbraw/zinc/72/59/26/556725926.db2.gz CVKSFPMHKVXYHI-UHFFFAOYSA-N 0 0 425.529 4.574 50 0 IJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000061719368 556726335 /nfs/dbraw/zinc/72/63/35/556726335.db2.gz UZEZJMZETHHIIZ-UHFFFAOYSA-N 0 0 432.505 4.820 50 0 IJAARN Clc1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)n2)cc1 ZINC000019297039 556734509 /nfs/dbraw/zinc/73/45/09/556734509.db2.gz FGRHUDMOYGYFFG-HNNXBMFYSA-N 0 0 428.857 4.578 50 0 IJAARN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cccn1-c1cccnc1)CCO2 ZINC000055107407 556735052 /nfs/dbraw/zinc/73/50/52/556735052.db2.gz GBRCKPGGVJUJNV-SANMLTNESA-N 0 0 425.532 4.543 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)c(C)c1C ZINC000055212154 556737923 /nfs/dbraw/zinc/73/79/23/556737923.db2.gz MDQSYJUJDXWLGR-UHFFFAOYSA-N 0 0 433.552 4.800 50 0 IJAARN O=S(=O)(c1ccc(OC(F)F)c(Cl)c1)N(Cc1ccsc1)c1cccnc1 ZINC000060363642 556747600 /nfs/dbraw/zinc/74/76/00/556747600.db2.gz OYESKXWDFDBAQG-UHFFFAOYSA-N 0 0 430.885 4.793 50 0 IJAARN CCc1c(C)sc2nc(SCc3ccnc(Cl)c3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000058004984 556752730 /nfs/dbraw/zinc/75/27/30/556752730.db2.gz GMVBOHUNSPOOHF-AWEZNQCLSA-N 0 0 436.002 4.849 50 0 IJAARN Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000058022487 556754599 /nfs/dbraw/zinc/75/45/99/556754599.db2.gz JRSPWQTVHLHLBA-UHFFFAOYSA-N 0 0 438.944 4.658 50 0 IJAARN O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCCN(c2nccs2)CC1 ZINC000058066285 556756513 /nfs/dbraw/zinc/75/65/13/556756513.db2.gz KBKUWWHYCWAYDH-UHFFFAOYSA-N 0 0 448.523 4.957 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1 ZINC000058111918 556759054 /nfs/dbraw/zinc/75/90/54/556759054.db2.gz BEMQKIWAPYYCQR-HHHXNRCGSA-N 0 0 435.527 4.860 50 0 IJAARN Cc1cc(=O)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nn1-c1ccccc1Cl ZINC000005279310 556762045 /nfs/dbraw/zinc/76/20/45/556762045.db2.gz OYGWLUGVBJWSJW-LJQCHSNASA-N 0 0 425.960 4.529 50 0 IJAARN C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000062001395 556764451 /nfs/dbraw/zinc/76/44/51/556764451.db2.gz DYVCWIDNNCVUOG-DPUIKJEASA-N 0 0 431.661 4.672 50 0 biogenic IJAARN CC(C)c1c(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000058161793 556765347 /nfs/dbraw/zinc/76/53/47/556765347.db2.gz GQLGKQFOLGCJCZ-UHFFFAOYSA-N 0 0 444.551 4.512 50 0 IJAARN CC(C)C[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000058218097 556772837 /nfs/dbraw/zinc/77/28/37/556772837.db2.gz KBZRZFZRACMAHO-HXUWFJFHSA-N 0 0 446.469 4.872 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000058268760 556776940 /nfs/dbraw/zinc/77/69/40/556776940.db2.gz YMBWJQJYCRPQJC-QFIPXVFZSA-N 0 0 443.601 4.960 50 0 IJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000058393836 556785110 /nfs/dbraw/zinc/78/51/10/556785110.db2.gz SMXDESGIJAXRRL-UHFFFAOYSA-N 0 0 443.469 4.804 50 0 IJAARN Cc1nc(CN(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccc(F)cc2)cs1 ZINC000059017655 556794313 /nfs/dbraw/zinc/79/43/13/556794313.db2.gz UHVNRMPUWKQCJM-UHFFFAOYSA-N 0 0 426.513 4.916 50 0 IJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)s1 ZINC000001518717 556797579 /nfs/dbraw/zinc/79/75/79/556797579.db2.gz MEWPRTAKSOPHRW-UHFFFAOYSA-N 0 0 433.308 4.993 50 0 IJAARN CCCCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O ZINC000002376839 556799367 /nfs/dbraw/zinc/79/93/67/556799367.db2.gz YMQPPJXNQXIALE-HMMYKYKNSA-N 0 0 439.968 4.978 50 0 IJAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1ccc(Cl)cn1 ZINC000002621818 556800513 /nfs/dbraw/zinc/80/05/13/556800513.db2.gz HSUSHIOKFZSEIX-UHFFFAOYSA-N 0 0 439.924 4.910 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)N3CCCCCC3)cc12 ZINC000003226815 556805746 /nfs/dbraw/zinc/80/57/46/556805746.db2.gz QMYRYAIFUARJGG-UHFFFAOYSA-N 0 0 431.945 4.608 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000003281424 556808099 /nfs/dbraw/zinc/80/80/99/556808099.db2.gz FDSCMICWGIBZOO-LBPRGKRZSA-N 0 0 425.779 4.728 50 0 IJAARN Cc1ccccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003279515 556808146 /nfs/dbraw/zinc/80/81/46/556808146.db2.gz QBERSUDBADDMMT-UHFFFAOYSA-N 0 0 427.909 4.619 50 0 IJAARN CCCOc1ccc(/C=C2/N=C(c3ccc(OCC)c(OCC)c3)OC2=O)cc1OC ZINC000003316552 556809959 /nfs/dbraw/zinc/80/99/59/556809959.db2.gz LNVXGKBDKBYWQR-QGOAFFKASA-N 0 0 425.481 4.626 50 0 IJAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cc4c(s3)CC[C@H](C)C4)cc(=O)oc2c1 ZINC000003380961 556814147 /nfs/dbraw/zinc/81/41/47/556814147.db2.gz YAUNUTDLSUKWAC-ZDUSSCGKSA-N 0 0 441.505 4.905 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003409967 556814701 /nfs/dbraw/zinc/81/47/01/556814701.db2.gz RTMKEYLOKXZUPX-UHFFFAOYSA-N 0 0 448.935 4.883 50 0 IJAARN COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccccc1 ZINC000003407088 556814709 /nfs/dbraw/zinc/81/47/09/556814709.db2.gz YQSIEVACZHRJKQ-RCCKNPSSSA-N 0 0 430.529 4.879 50 0 IJAARN O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000033067778 556819806 /nfs/dbraw/zinc/81/98/06/556819806.db2.gz KENODCVZIMYVMQ-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000033067921 556820280 /nfs/dbraw/zinc/82/02/80/556820280.db2.gz BKMUQPATQAJYQO-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN CC(C)CCN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000064662297 556826456 /nfs/dbraw/zinc/82/64/56/556826456.db2.gz OIHMUPSAIPHBBF-QHCPKHFHSA-N 0 0 444.000 4.933 50 0 IJAARN Cc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)Nc4cc(F)ccc4F)c3n2)cc1 ZINC000064667918 556826545 /nfs/dbraw/zinc/82/65/45/556826545.db2.gz IANNWQAYEHOFMF-UHFFFAOYSA-N 0 0 444.441 4.542 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3cccc(Br)c3)no2)nn1-c1ccccc1 ZINC000064949554 556829492 /nfs/dbraw/zinc/82/94/92/556829492.db2.gz MPEDFWXBPRXOKB-UHFFFAOYSA-N 0 0 445.276 4.865 50 0 IJAARN O=C(NC1CCCCC1)[C@@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958892 556829997 /nfs/dbraw/zinc/82/99/97/556829997.db2.gz ZVQMITLULWBRPF-QGZVFWFLSA-N 0 0 437.975 4.715 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c(C)c1 ZINC000065003502 556831503 /nfs/dbraw/zinc/83/15/03/556831503.db2.gz RJOJCBLXSULNBB-HXUWFJFHSA-N 0 0 448.588 4.682 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000065363238 556834767 /nfs/dbraw/zinc/83/47/67/556834767.db2.gz VYEIFZWMNLUCNC-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000065363323 556835209 /nfs/dbraw/zinc/83/52/09/556835209.db2.gz ZJFSBYRCHLNRCK-UHFFFAOYSA-N 0 0 446.555 4.590 50 0 IJAARN O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(F)cc1F ZINC000062580637 556836515 /nfs/dbraw/zinc/83/65/15/556836515.db2.gz DHEBCXAECPZAED-UHFFFAOYSA-N 0 0 448.473 4.951 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000334161921 556837140 /nfs/dbraw/zinc/83/71/40/556837140.db2.gz HAYPALIOWSOEHG-HXUWFJFHSA-N 0 0 438.531 4.812 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000019641914 556837935 /nfs/dbraw/zinc/83/79/35/556837935.db2.gz FCSLLVOCVHWLOF-HNNXBMFYSA-N 0 0 444.597 4.587 50 0 IJAARN Cc1cc(CSC2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)no1 ZINC000096876555 556848064 /nfs/dbraw/zinc/84/80/64/556848064.db2.gz QYUILYCHFKPZNW-VXLYETTFSA-N 0 0 433.489 4.697 50 0 IJAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000008883782 556850700 /nfs/dbraw/zinc/85/07/00/556850700.db2.gz YUHQZIQDISTYLA-UHFFFAOYSA-N 0 0 439.298 4.672 50 0 IJAARN COc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1 ZINC000008875948 556851500 /nfs/dbraw/zinc/85/15/00/556851500.db2.gz RYNBCRGVIYVPHT-UHFFFAOYSA-N 0 0 449.561 4.710 50 0 IJAARN CSc1ccc(CCNC(=O)C2CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000033071215 556851616 /nfs/dbraw/zinc/85/16/16/556851616.db2.gz DEWDLYGUEVCIOM-UHFFFAOYSA-N 0 0 428.989 4.514 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3cnc(N4CCCCC4)c4ccccc34)C[C@@H]2C)c1 ZINC000033073195 556852607 /nfs/dbraw/zinc/85/26/07/556852607.db2.gz WBLYDUVBKOPTNI-NRFANRHFSA-N 0 0 428.580 4.884 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)cc1C ZINC000033073961 556852986 /nfs/dbraw/zinc/85/29/86/556852986.db2.gz FNNAOCVZEQOGBA-UHFFFAOYSA-N 0 0 446.526 4.945 50 0 IJAARN Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078879 556854024 /nfs/dbraw/zinc/85/40/24/556854024.db2.gz IXLFSZBYPAJVIK-UHFFFAOYSA-N 0 0 438.553 4.792 50 0 IJAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(CC)cc4)CC3)c(C)o2)cc1 ZINC000033085207 556855263 /nfs/dbraw/zinc/85/52/63/556855263.db2.gz AMAREVRSGILFKN-UHFFFAOYSA-N 0 0 448.567 4.961 50 0 IJAARN Cc1c(C(=O)NCCc2ccccc2Cl)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084411 556855503 /nfs/dbraw/zinc/85/55/03/556855503.db2.gz PWTPAAVVWSRNTM-UHFFFAOYSA-N 0 0 428.989 4.924 50 0 IJAARN CCc1ccc2oc(=O)cc(CN3CCN(Cc4nc(-c5cccs5)oc4C)CC3)c2c1 ZINC000033088029 556855779 /nfs/dbraw/zinc/85/57/79/556855779.db2.gz AOBVIIYWUPIWHG-UHFFFAOYSA-N 0 0 449.576 4.698 50 0 IJAARN Cc1cc(NC(=O)c2nc3ccccc3n(Cc3ccccc3)c2=O)ccc1Br ZINC000033085921 556857019 /nfs/dbraw/zinc/85/70/19/556857019.db2.gz RARVFLNYMASQIV-UHFFFAOYSA-N 0 0 448.320 4.768 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C(C)C)c1 ZINC000033087542 556857780 /nfs/dbraw/zinc/85/77/80/556857780.db2.gz CKEQUWPFICJSGH-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106587 556859161 /nfs/dbraw/zinc/85/91/61/556859161.db2.gz UJFZIDYMDMUXCN-UHFFFAOYSA-N 0 0 429.499 4.578 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)s1 ZINC000033113457 556860128 /nfs/dbraw/zinc/86/01/28/556860128.db2.gz SAPJVWDQDOTDQH-CQSZACIVSA-N 0 0 447.992 4.666 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)s1 ZINC000033113476 556860196 /nfs/dbraw/zinc/86/01/96/556860196.db2.gz JGHZIKGAXZEZIE-AWEZNQCLSA-N 0 0 441.944 4.855 50 0 IJAARN CCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000033113473 556860249 /nfs/dbraw/zinc/86/02/49/556860249.db2.gz CNYWVNZRXUMDJT-QGZVFWFLSA-N 0 0 435.553 4.764 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033113513 556860425 /nfs/dbraw/zinc/86/04/25/556860425.db2.gz WZPWVAUDTUABFA-QGZVFWFLSA-N 0 0 435.553 4.764 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)Nc3cccc(C)c3)c2sc1NC(C)=O ZINC000033113624 556860433 /nfs/dbraw/zinc/86/04/33/556860433.db2.gz OSJTWTLEAYJALS-UHFFFAOYSA-N 0 0 440.521 4.671 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000033113990 556860693 /nfs/dbraw/zinc/86/06/93/556860693.db2.gz LVFLHSOTJOWJOO-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)c1 ZINC000033114034 556860901 /nfs/dbraw/zinc/86/09/01/556860901.db2.gz JHVVRCVCQGDPKO-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CCCOc1c2cc(NC(=O)COc3ccc(OC)cc3)ccc2sc1C(=O)OC ZINC000033123507 556864260 /nfs/dbraw/zinc/86/42/60/556864260.db2.gz HSQVNGKYPTYMOC-UHFFFAOYSA-N 0 0 429.494 4.503 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)cc2)n1 ZINC000033128327 556865619 /nfs/dbraw/zinc/86/56/19/556865619.db2.gz ZQVCRUJQWCXDIV-HNNXBMFYSA-N 0 0 443.956 4.631 50 0 IJAARN COC(=O)c1ccc(C)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128705 556865737 /nfs/dbraw/zinc/86/57/37/556865737.db2.gz ZHSRHWHRTLBGQB-UHFFFAOYSA-N 0 0 443.503 4.937 50 0 IJAARN CCCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130076 556869763 /nfs/dbraw/zinc/86/97/63/556869763.db2.gz CBFRLWXIHKLDFE-UHFFFAOYSA-N 0 0 436.577 4.752 50 0 IJAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000019731624 556876718 /nfs/dbraw/zinc/87/67/18/556876718.db2.gz SEMYESNRFJUOCS-NRFANRHFSA-N 0 0 431.536 4.873 50 0 IJAARN Cn1cnnc1Sc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732661 556876826 /nfs/dbraw/zinc/87/68/26/556876826.db2.gz BAPWXFZZMISZFN-SFHVURJKSA-N 0 0 438.597 4.952 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000033141918 556877354 /nfs/dbraw/zinc/87/73/54/556877354.db2.gz VGPDZIAOVXPPCM-UHFFFAOYSA-N 0 0 430.552 4.543 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000033142006 556877469 /nfs/dbraw/zinc/87/74/69/556877469.db2.gz GOPPPJOJTJPUHX-UHFFFAOYSA-N 0 0 440.906 4.594 50 0 IJAARN Cn1cc(CN2CCN(C(=O)c3ccco3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000019739982 556879421 /nfs/dbraw/zinc/87/94/21/556879421.db2.gz RVKQTTZCINVLAA-UHFFFAOYSA-N 0 0 432.568 4.686 50 0 IJAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)sc2c1 ZINC000033169218 556880578 /nfs/dbraw/zinc/88/05/78/556880578.db2.gz YPJFIUYVNYVFPA-UHFFFAOYSA-N 0 0 438.530 4.975 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3c(C)cc(C)cc3C)c2cc1OC ZINC000033172799 556883034 /nfs/dbraw/zinc/88/30/34/556883034.db2.gz JEKBFRVNCZFHGO-UHFFFAOYSA-N 0 0 436.537 4.784 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000033170568 556886136 /nfs/dbraw/zinc/88/61/36/556886136.db2.gz NMJVGXJRMYHBOV-KHPPLWFESA-N 0 0 439.537 4.838 50 0 IJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1C ZINC000004691328 556886924 /nfs/dbraw/zinc/88/69/24/556886924.db2.gz NEMFIKGMKCOBOU-UHFFFAOYSA-N 0 0 425.554 4.910 50 0 IJAARN O=C(NC1CCCCC1)C(=O)C(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000071769505 556887842 /nfs/dbraw/zinc/88/78/42/556887842.db2.gz SQFQZZYZHQAYIK-UHFFFAOYSA-N 0 0 425.528 4.874 50 0 IJAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249420 556889315 /nfs/dbraw/zinc/88/93/15/556889315.db2.gz WNTZSQCBLKPOOA-UHFFFAOYSA-N 0 0 440.540 4.785 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccc(-c4ccccc4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000033249566 556889567 /nfs/dbraw/zinc/88/95/67/556889567.db2.gz MPRQKXYMEVDNBU-MUUNZHRXSA-N 0 0 441.575 4.937 50 0 IJAARN O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000033254697 556891093 /nfs/dbraw/zinc/89/10/93/556891093.db2.gz ZPBLNOPZTDUSBP-UHFFFAOYSA-N 0 0 429.992 4.689 50 0 IJAARN COC(=O)CCN(C(=O)c1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000033252388 556892935 /nfs/dbraw/zinc/89/29/35/556892935.db2.gz HCSNNPWDCZBMCX-UHFFFAOYSA-N 0 0 427.460 4.614 50 0 IJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(OC)c(Cl)c4)c(C)n3)cc2)no1 ZINC000033258546 556896082 /nfs/dbraw/zinc/89/60/82/556896082.db2.gz VBKUTYSYXYOMQG-UHFFFAOYSA-N 0 0 437.887 4.707 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000033258448 556896181 /nfs/dbraw/zinc/89/61/81/556896181.db2.gz JPOCAWICIHFYMD-UHFFFAOYSA-N 0 0 442.878 4.555 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)o3)n2)cc1 ZINC000033262422 556900765 /nfs/dbraw/zinc/90/07/65/556900765.db2.gz KZRZZRWCOISIFV-UHFFFAOYSA-N 0 0 430.869 4.633 50 0 IJAARN Cc1ccccc1-c1noc(-c2ccc(CSCC(=O)NCc3ccc(F)cc3)o2)n1 ZINC000033262386 556902075 /nfs/dbraw/zinc/90/20/75/556902075.db2.gz OQCSJDGSUSIBQM-UHFFFAOYSA-N 0 0 437.496 4.994 50 0 IJAARN COc1ccc2c(c1OC)[C@H](Cc1ccccc1)N1CCc3cc4c(cc3[C@@H]1C2)OCO4 ZINC000019799497 556916934 /nfs/dbraw/zinc/91/69/34/556916934.db2.gz SKWMDAJIQZJZKL-VXKWHMMOSA-N 0 0 429.516 4.872 50 0 IJAARN O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1NCc1ccco1)c1ccc(Cl)cc1 ZINC000019811062 556919170 /nfs/dbraw/zinc/91/91/70/556919170.db2.gz YNYGNSFWRFHYGN-XZOQPEGZSA-N 0 0 438.936 4.950 50 0 IJAARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(C)c(Br)c2)o1)c1c(C)[nH][nH]c1=O ZINC000019812257 556919475 /nfs/dbraw/zinc/91/94/75/556919475.db2.gz MJTLZUPHXSAZRG-UHFFFAOYSA-N 0 0 443.301 4.672 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 ZINC000019824613 556925730 /nfs/dbraw/zinc/92/57/30/556925730.db2.gz NZFQCMHGCMXURO-UHFFFAOYSA-N 0 0 434.521 4.965 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccs2)cc1 ZINC000019824844 556925876 /nfs/dbraw/zinc/92/58/76/556925876.db2.gz YJLBMKMJGDGHRG-UHFFFAOYSA-N 0 0 440.525 4.874 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCN(c2ccccc2)CC1 ZINC000019855962 556931488 /nfs/dbraw/zinc/93/14/88/556931488.db2.gz SRJUGNOJQGOWHJ-UHFFFAOYSA-N 0 0 426.442 4.679 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 ZINC000019860130 556932433 /nfs/dbraw/zinc/93/24/33/556932433.db2.gz CMPFICRPHYSMQD-IBGZPJMESA-N 0 0 434.989 4.644 50 0 IJAARN COc1ccc(C)cc1NC(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000033263823 556933205 /nfs/dbraw/zinc/93/32/05/556933205.db2.gz RWVRJMUWLWUBID-UHFFFAOYSA-N 0 0 429.524 4.936 50 0 IJAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cnn(-c3ccccc3)c1)c2=O ZINC000019879359 556936429 /nfs/dbraw/zinc/93/64/29/556936429.db2.gz OHIBTKPOXQJMII-UHFFFAOYSA-N 0 0 430.338 4.715 50 0 IJAARN O=c1nc(CNc2ccc(Cl)cc2)[nH]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926504 556944950 /nfs/dbraw/zinc/94/49/50/556944950.db2.gz MYANNGOENYPEGW-UHFFFAOYSA-N 0 0 436.968 4.808 50 0 IJAARN Cc1ccc(S(=O)(=O)Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[nH]2)cc1 ZINC000019926616 556944996 /nfs/dbraw/zinc/94/49/96/556944996.db2.gz RNVBOADLYUEOBZ-UHFFFAOYSA-N 0 0 430.938 4.587 50 0 IJAARN CC(=O)Nc1ccc(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)cc1 ZINC000019962558 556955869 /nfs/dbraw/zinc/95/58/69/556955869.db2.gz LKECMVOGKLTUMF-UHFFFAOYSA-N 0 0 443.894 4.621 50 0 IJAARN COC(=O)C[C@@H](N[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccc(C)cc1C ZINC000020058057 556975274 /nfs/dbraw/zinc/97/52/74/556975274.db2.gz ULHXJLRJVKEGRM-AOYPEHQESA-N 0 0 446.522 4.991 50 0 IJAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1Cl)O[C@H](C)C2 ZINC000011233326 556978977 /nfs/dbraw/zinc/97/89/77/556978977.db2.gz VXXVRVDCUZYLGV-LLVKDONJSA-N 0 0 440.721 4.842 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(OC)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095390 556979145 /nfs/dbraw/zinc/97/91/45/556979145.db2.gz VCKZQTHGAOINOS-QHCPKHFHSA-N 0 0 431.536 4.696 50 0 IJAARN CC(C)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000020103519 556981074 /nfs/dbraw/zinc/98/10/74/556981074.db2.gz WUQSUPVHZHDFBN-QHCPKHFHSA-N 0 0 439.519 4.671 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000033269010 556987019 /nfs/dbraw/zinc/98/70/19/556987019.db2.gz SGMXFHIKGCXFGS-UHFFFAOYSA-N 0 0 440.475 4.722 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000097104883 556987636 /nfs/dbraw/zinc/98/76/36/556987636.db2.gz ILYGWZHXOMNZFS-GOSISDBHSA-N 0 0 431.311 4.582 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097123070 556990825 /nfs/dbraw/zinc/99/08/25/556990825.db2.gz JOEJFJDCBPOWAY-MRXNPFEDSA-N 0 0 437.297 4.541 50 0 IJAARN CCN(c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1)C(C)C ZINC000023076654 556995558 /nfs/dbraw/zinc/99/55/58/556995558.db2.gz RKELOHWHNCNWAJ-UHFFFAOYSA-N 0 0 438.597 4.669 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(Br)cn2)cc1 ZINC000020191781 556996208 /nfs/dbraw/zinc/99/62/08/556996208.db2.gz KFHIQNFNFDGOKB-UHFFFAOYSA-N 0 0 432.343 4.565 50 0 aggregator IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994317 557003177 /nfs/dbraw/zinc/00/31/77/557003177.db2.gz CVTNRZWZLKJERB-LDADJPATSA-N 0 0 426.263 4.877 50 0 IJAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4cccs4)C3=O)CC2)cc1Cl ZINC000020266087 557004441 /nfs/dbraw/zinc/00/44/41/557004441.db2.gz QZPVBZYOROCWFJ-LDADJPATSA-N 0 0 433.986 4.526 50 0 IJAARN Cc1ccc(S(=O)(=O)Oc2cc(C(F)(F)F)c3cnn(Cc4ccccc4)c3n2)cc1 ZINC000020285836 557005248 /nfs/dbraw/zinc/00/52/48/557005248.db2.gz QQNJTFULGPLYTF-UHFFFAOYSA-N 0 0 447.438 4.575 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1C ZINC000020356109 557010274 /nfs/dbraw/zinc/01/02/74/557010274.db2.gz ZPVVUJAUGUQSOD-UHFFFAOYSA-N 0 0 433.508 4.546 50 0 IJAARN COc1ccc(C)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020357248 557011364 /nfs/dbraw/zinc/01/13/64/557011364.db2.gz QDGIXBZTTUDMOV-UHFFFAOYSA-N 0 0 427.551 4.613 50 0 IJAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000023127051 557011622 /nfs/dbraw/zinc/01/16/22/557011622.db2.gz KVAXRAYCYZTZJT-UHFFFAOYSA-N 0 0 443.500 4.671 50 0 IJAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccccc1F ZINC000023127049 557011656 /nfs/dbraw/zinc/01/16/56/557011656.db2.gz HMLSGMUCTJZLOV-UHFFFAOYSA-N 0 0 425.510 4.532 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(C)c(F)c5)n4ccn3n2)cc1 ZINC000045971323 557014269 /nfs/dbraw/zinc/01/42/69/557014269.db2.gz WHSDSWQSZPPNNK-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)NCc3ccccc3)cc(C)c12 ZINC000045990509 557016058 /nfs/dbraw/zinc/01/60/58/557016058.db2.gz QKZFFYULEMGJRD-UHFFFAOYSA-N 0 0 434.927 4.694 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000045990767 557016745 /nfs/dbraw/zinc/01/67/45/557016745.db2.gz GGHWWAIOBVRGGV-UHFFFAOYSA-N 0 0 428.492 4.566 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)NCc1cccc(OC)c1)cc2-c1ccccc1 ZINC000045992371 557018142 /nfs/dbraw/zinc/01/81/42/557018142.db2.gz UXQMPVXAUFXNTG-SFHVURJKSA-N 0 0 444.535 4.519 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2=O)cc1 ZINC000046018666 557020736 /nfs/dbraw/zinc/02/07/36/557020736.db2.gz XMAACJXVENSRLY-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1cccc(-c2noc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)n2)c1 ZINC000046018714 557020755 /nfs/dbraw/zinc/02/07/55/557020755.db2.gz HSXKWWLRGHIYOP-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1oc(-c2cc(C)ccc2C)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000046031449 557024068 /nfs/dbraw/zinc/02/40/68/557024068.db2.gz GYYKFZAENIVNDH-UHFFFAOYSA-N 0 0 443.532 4.981 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000046053571 557026414 /nfs/dbraw/zinc/02/64/14/557026414.db2.gz DVAOKDMAZYGAQP-KRWDZBQOSA-N 0 0 441.959 4.603 50 0 IJAARN O=C(CCSc1ccccc1)N(CCn1cccn1)c1nc2c(cccc2F)s1 ZINC000023144875 557026557 /nfs/dbraw/zinc/02/65/57/557026557.db2.gz XAGCUAQPIOOQRW-UHFFFAOYSA-N 0 0 426.542 4.848 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c(Cl)c1 ZINC000046053684 557026795 /nfs/dbraw/zinc/02/67/95/557026795.db2.gz JEVUKFWLSVJWEV-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN COc1ccccc1C(=O)c1cn(Cc2c(F)cccc2Cl)c2nc(C)ccc2c1=O ZINC000046053791 557027055 /nfs/dbraw/zinc/02/70/55/557027055.db2.gz YHUSUQGQCOPQTM-UHFFFAOYSA-N 0 0 436.870 4.785 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(Br)cc2)cc1 ZINC000046057586 557029074 /nfs/dbraw/zinc/02/90/74/557029074.db2.gz BLBKMMMNIVRZHI-SFHVURJKSA-N 0 0 438.325 4.814 50 0 IJAARN COc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)ccc1OC(F)F ZINC000010822291 557030442 /nfs/dbraw/zinc/03/04/42/557030442.db2.gz YTLDFQXSAPQGRD-UHFFFAOYSA-N 0 0 445.462 4.536 50 0 IJAARN CSc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010822773 557030482 /nfs/dbraw/zinc/03/04/82/557030482.db2.gz HVFHCNDXXRSZPL-OAHLLOKOSA-N 0 0 442.562 4.615 50 0 IJAARN COC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3SC)s2)cc1 ZINC000010822719 557030659 /nfs/dbraw/zinc/03/06/59/557030659.db2.gz FLUFRMAZPCBLQX-MRXNPFEDSA-N 0 0 442.562 4.631 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)cc1 ZINC000046079591 557034670 /nfs/dbraw/zinc/03/46/70/557034670.db2.gz NBOVBJUVQGYTGT-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122758 557036199 /nfs/dbraw/zinc/03/61/99/557036199.db2.gz LNZMOBOHKFJMEE-HNNXBMFYSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccs3)C2)s1 ZINC000046123380 557037125 /nfs/dbraw/zinc/03/71/25/557037125.db2.gz PKUUUXLLKLEYPR-LBPRGKRZSA-N 0 0 432.958 4.525 50 0 IJAARN COc1ccc(C(=O)Nc2nc(C)cs2)cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000048235155 557046429 /nfs/dbraw/zinc/04/64/29/557046429.db2.gz VTVDSFXXEVWXLL-UHFFFAOYSA-N 0 0 449.454 4.912 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000048234920 557046604 /nfs/dbraw/zinc/04/66/04/557046604.db2.gz IMTXGJXJCYOTTL-UHFFFAOYSA-N 0 0 428.485 4.557 50 0 IJAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4c(C)cccc4C)n3)n[nH]2)c1 ZINC000033270814 557047735 /nfs/dbraw/zinc/04/77/35/557047735.db2.gz LMGJJOJMJICBLU-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN Cc1ccc(-c2nc(SCc3noc(CCC(=O)Nc4ccc(C)c(C)c4)n3)n[nH]2)cc1 ZINC000033270928 557048199 /nfs/dbraw/zinc/04/81/99/557048199.db2.gz ICIBNKPEJHQCDN-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN O=C(CCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1)Nc1cc(F)cc(F)c1 ZINC000033271008 557048522 /nfs/dbraw/zinc/04/85/22/557048522.db2.gz VUUOHEOAHBETOX-UHFFFAOYSA-N 0 0 449.870 4.741 50 0 IJAARN CC1(C)SC(=S)N(CCc2ccccc2F)[C@@H]1N(O)C(=O)NC1CCCCC1 ZINC000004732498 557050324 /nfs/dbraw/zinc/05/03/24/557050324.db2.gz QKIXTBHDGQCANK-QGZVFWFLSA-N 0 0 425.595 4.540 50 0 IJAARN COc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl ZINC000033272021 557050888 /nfs/dbraw/zinc/05/08/88/557050888.db2.gz QTPUBBBITAEIFG-UHFFFAOYSA-N 0 0 442.924 4.715 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4c(C)cccc4C)c3C)c(C)o2)cc1 ZINC000017314957 557052827 /nfs/dbraw/zinc/05/28/27/557052827.db2.gz PRXNUXBOGAHFGP-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN NC(=O)c1ccc(CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C2CC2)cc1 ZINC000048286791 557052958 /nfs/dbraw/zinc/05/29/58/557052958.db2.gz RTVNRKAJUDMNIK-UHFFFAOYSA-N 0 0 446.473 4.601 50 0 IJAARN COc1ccc2cc(CNC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc2c1 ZINC000048287444 557053174 /nfs/dbraw/zinc/05/31/74/557053174.db2.gz PWSRWQBDOMVWQL-PPXQLYMYSA-N 0 0 446.591 4.672 50 0 IJAARN Cc1nn(-c2cc(-c3noc(C4CC4)n3)ccc2C)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000033275310 557053852 /nfs/dbraw/zinc/05/38/52/557053852.db2.gz RQZJRNRNLUKUHY-UHFFFAOYSA-N 0 0 447.926 5.000 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000022980940 557055743 /nfs/dbraw/zinc/05/57/43/557055743.db2.gz SNUUETRXTUCCIB-OAQYLSRUSA-N 0 0 426.513 4.776 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5cccs5)nc4sc3c2=O)cc1C ZINC000033284019 557063474 /nfs/dbraw/zinc/06/34/74/557063474.db2.gz AWKXKTNABQMRIF-UHFFFAOYSA-N 0 0 446.557 4.990 50 0 IJAARN Cc1sc2nc(-c3ccccn3)nc(N[C@H]3CCCCNC3=O)c2c1-c1ccccc1 ZINC000048302501 557063759 /nfs/dbraw/zinc/06/37/59/557063759.db2.gz MFVRLQOIRIFONU-SFHVURJKSA-N 0 0 429.549 4.809 50 0 IJAARN COc1ccc(CN2CCc3nc(SCc4c(F)cccc4Cl)[nH]c(=O)c3C2)cc1 ZINC000033287262 557064289 /nfs/dbraw/zinc/06/42/89/557064289.db2.gz CTJALBSIEYEDAY-UHFFFAOYSA-N 0 0 445.947 4.834 50 0 IJAARN CSc1cccc(NC(=O)Cn2c(=O)nc(N(C)c3ccccc3)c3ccccc32)c1 ZINC000033287419 557064680 /nfs/dbraw/zinc/06/46/80/557064680.db2.gz QOIHIOYMKUNKMM-UHFFFAOYSA-N 0 0 430.533 4.525 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288963 557066537 /nfs/dbraw/zinc/06/65/37/557066537.db2.gz CTOUVNIAQSKDGM-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(C(=O)Cc4ccccc4Br)CC3)no2)c1 ZINC000033281828 557067455 /nfs/dbraw/zinc/06/74/55/557067455.db2.gz IESFGGKPYIZMRX-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(N3CCC(C)CC3)cc2)no1 ZINC000033283485 557068631 /nfs/dbraw/zinc/06/86/31/557068631.db2.gz BBJNWDAKSNAYLU-UHFFFAOYSA-N 0 0 434.540 4.943 50 0 IJAARN COc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 ZINC000048340172 557070200 /nfs/dbraw/zinc/07/02/00/557070200.db2.gz IYDULPRDFLCZRK-SFTDATJTSA-N 0 0 433.577 4.704 50 0 IJAARN CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1 ZINC000048361838 557073374 /nfs/dbraw/zinc/07/33/74/557073374.db2.gz OIPYZJGFGLOAHH-UHFFFAOYSA-N 0 0 441.258 4.565 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCCSc3ccccc32)nn1-c1ccccc1C(F)(F)F ZINC000048354909 557073663 /nfs/dbraw/zinc/07/36/63/557073663.db2.gz JLXUKYSUZKOYIU-UHFFFAOYSA-N 0 0 445.466 4.702 50 0 IJAARN Cc1cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2Cc2ccco2)c2ccccc2)no1 ZINC000048355281 557073682 /nfs/dbraw/zinc/07/36/82/557073682.db2.gz YDGYSMMMSXDRFO-LJQANCHMSA-N 0 0 435.509 4.565 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000023224757 557074988 /nfs/dbraw/zinc/07/49/88/557074988.db2.gz FEFMLCGFAXNKIY-DEOSSOPVSA-N 0 0 436.983 4.877 50 0 IJAARN O=C(Nc1cccc(-c2cn3c(C(=O)N4CCCCC4)csc3n2)c1)c1ccccc1 ZINC000033299463 557078317 /nfs/dbraw/zinc/07/83/17/557078317.db2.gz LGGUYOLPCVFLQV-UHFFFAOYSA-N 0 0 430.533 4.941 50 0 IJAARN O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000033300479 557078792 /nfs/dbraw/zinc/07/87/92/557078792.db2.gz VAWGVFVSALDDCF-UHFFFAOYSA-N 0 0 434.761 4.502 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000048990994 557080508 /nfs/dbraw/zinc/08/05/08/557080508.db2.gz ZBRCTQCFHPITPY-UHFFFAOYSA-N 0 0 444.578 4.841 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@]1(C)CC1(Cl)Cl)CC2 ZINC000023260260 557080818 /nfs/dbraw/zinc/08/08/18/557080818.db2.gz SDLJZYLCKFZZOU-MJGOQNOKSA-N 0 0 426.365 4.823 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2cccc(C)c2)c3=O)cc1 ZINC000048990432 557083580 /nfs/dbraw/zinc/08/35/80/557083580.db2.gz ZRPYSVWXEVMYHD-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000049004830 557083996 /nfs/dbraw/zinc/08/39/96/557083996.db2.gz HVXBFQKVWNSIOI-UHFFFAOYSA-N 0 0 440.503 4.947 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1OC ZINC000049005990 557084759 /nfs/dbraw/zinc/08/47/59/557084759.db2.gz WWHVOCPLPHBWLB-UHFFFAOYSA-N 0 0 434.496 4.529 50 0 IJAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(F)cc1Cl ZINC000049007794 557086000 /nfs/dbraw/zinc/08/60/00/557086000.db2.gz PWNWVAUZACMBET-UHFFFAOYSA-N 0 0 432.908 4.522 50 0 IJAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000049007790 557086017 /nfs/dbraw/zinc/08/60/17/557086017.db2.gz VSBRKKCKQKYUAO-UHFFFAOYSA-N 0 0 448.470 4.748 50 0 IJAARN CCc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)cs1 ZINC000023354938 557087027 /nfs/dbraw/zinc/08/70/27/557087027.db2.gz ZTLQVWGLHDOXBI-UHFFFAOYSA-N 0 0 439.562 4.714 50 0 IJAARN COc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1Cl ZINC000049003030 557090726 /nfs/dbraw/zinc/09/07/26/557090726.db2.gz SPAHXDCPFHVVMV-UHFFFAOYSA-N 0 0 443.956 4.838 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccccc2F)c(C)c1 ZINC000049004176 557092271 /nfs/dbraw/zinc/09/22/71/557092271.db2.gz RTBKPZUGZWAGFO-UHFFFAOYSA-N 0 0 446.569 4.568 50 0 IJAARN CCc1ccc(Nc2nnc(SC[C@H]3CN(Cc4ccccc4)CCO3)s2)cc1 ZINC000023486519 557095063 /nfs/dbraw/zinc/09/50/63/557095063.db2.gz LAQNFVPSPBDQBH-HXUWFJFHSA-N 0 0 426.611 4.837 50 0 IJAARN CC[C@H](C(=O)N1CCC[C@H](COc2cccc(C(=O)N3CCCC3)c2)C1)c1ccccc1 ZINC000033311407 557095642 /nfs/dbraw/zinc/09/56/42/557095642.db2.gz KQKMVCNNDSKJNP-OFVILXPXSA-N 0 0 434.580 4.734 50 0 IJAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)n1 ZINC000049404230 557099519 /nfs/dbraw/zinc/09/95/19/557099519.db2.gz HEVYAWREEKMIBD-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN C[C@H](NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)c1ccc(F)cc1 ZINC000049405646 557100950 /nfs/dbraw/zinc/10/09/50/557100950.db2.gz GXYGHJFDAAYVEL-HNNXBMFYSA-N 0 0 434.496 4.907 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1 ZINC000033320588 557103523 /nfs/dbraw/zinc/10/35/23/557103523.db2.gz LLWPBQKAAVRNEZ-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1c(C)ncc(-c2nc(-c3ccccc3)cs2)c1=O ZINC000049409952 557105577 /nfs/dbraw/zinc/10/55/77/557105577.db2.gz GULARDGTABKRRX-UHFFFAOYSA-N 0 0 444.560 4.852 50 0 IJAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nc2ccccc2c(=O)n1C(C)C ZINC000017667957 557106530 /nfs/dbraw/zinc/10/65/30/557106530.db2.gz KJAPSCCVGGMTHN-UHFFFAOYSA-N 0 0 433.533 4.913 50 0 IJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3C)n2)c1 ZINC000033325000 557107006 /nfs/dbraw/zinc/10/70/06/557107006.db2.gz ZOWXHMNAGXMQLP-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C ZINC000086070065 557108389 /nfs/dbraw/zinc/10/83/89/557108389.db2.gz IOLMDBKHKWDLCF-UHFFFAOYSA-N 0 0 427.936 4.632 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)cc2C)=Nc2ccccc2N1 ZINC000049421643 557108422 /nfs/dbraw/zinc/10/84/22/557108422.db2.gz HXVFQFMTCDVTDZ-UHFFFAOYSA-N 0 0 427.501 4.799 50 0 IJAARN O=C(CN1CC(c2nc(-c3cccs3)no2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000049484564 557109839 /nfs/dbraw/zinc/10/98/39/557109839.db2.gz QMGGHYRJRWLJJK-UHFFFAOYSA-N 0 0 442.850 4.508 50 0 IJAARN COc1ccc2nc(OC3CCN(C(=O)c4cc(-c5ccccc5)on4)CC3)sc2c1 ZINC000049434441 557110181 /nfs/dbraw/zinc/11/01/81/557110181.db2.gz OMIZSBVPJHNXNF-UHFFFAOYSA-N 0 0 435.505 4.644 50 0 IJAARN CSc1ccc(CC(=O)N2CCC(Oc3nc4c(cc(F)cc4F)s3)CC2)cc1 ZINC000049435327 557110191 /nfs/dbraw/zinc/11/01/91/557110191.db2.gz CXQRGGWVHYFBEH-UHFFFAOYSA-N 0 0 434.533 4.909 50 0 IJAARN COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)ccc1OCC(C)C ZINC000049546873 557112130 /nfs/dbraw/zinc/11/21/30/557112130.db2.gz ZKGDXVGUSCBWGB-SFHVURJKSA-N 0 0 438.549 4.691 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccco3)n12)NCc1ccccc1Cl ZINC000033328944 557112814 /nfs/dbraw/zinc/11/28/14/557112814.db2.gz KQEILUZUEIWUNJ-UHFFFAOYSA-N 0 0 449.923 4.599 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCSC2=N1 ZINC000004781143 557114012 /nfs/dbraw/zinc/11/40/12/557114012.db2.gz WPMRJBABXXBHTG-IBGZPJMESA-N 0 0 429.586 4.746 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033330648 557114622 /nfs/dbraw/zinc/11/46/22/557114622.db2.gz WYZKSTCPHBSEQP-UHFFFAOYSA-N 0 0 433.468 4.716 50 0 IJAARN Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1CCc1ccccc1 ZINC000023763179 557114949 /nfs/dbraw/zinc/11/49/49/557114949.db2.gz MQTHPZFGUWZMNM-UHFFFAOYSA-N 0 0 449.639 4.645 50 0 IJAARN CC(C)(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)C2=O ZINC000033331979 557116706 /nfs/dbraw/zinc/11/67/06/557116706.db2.gz HOPXMHMDWJLJCR-XMMPIXPASA-N 0 0 442.991 4.702 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br ZINC000001131238 557118997 /nfs/dbraw/zinc/11/89/97/557118997.db2.gz SDRRMWSXBUUCHC-UHFFFAOYSA-N 0 0 444.656 4.931 50 0 IJAARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000004787277 557119660 /nfs/dbraw/zinc/11/96/60/557119660.db2.gz XEEJGYCODAXTIH-QHCPKHFHSA-N 0 0 445.519 4.988 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000001124076 557121507 /nfs/dbraw/zinc/12/15/07/557121507.db2.gz LQSDGHVJKQSOBS-UHFFFAOYSA-N 0 0 431.714 4.685 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908667 557125060 /nfs/dbraw/zinc/12/50/60/557125060.db2.gz FDTYEJBZWRNCFM-MHZLTWQESA-N 0 0 443.591 4.605 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)CC ZINC000000649846 557125285 /nfs/dbraw/zinc/12/52/85/557125285.db2.gz STDZCFZXHQAROP-WJDWOHSUSA-N 0 0 444.281 4.508 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NC3CCCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800047 557127422 /nfs/dbraw/zinc/12/74/22/557127422.db2.gz KDTIPVKVZIOSLX-ZCYQVOJMSA-N 0 0 436.552 4.637 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023957322 557128057 /nfs/dbraw/zinc/12/80/57/557128057.db2.gz WBSMEYOXCJJTTK-UHFFFAOYSA-N 0 0 449.551 4.972 50 0 IJAARN O=C(OCc1cc(-c2ccco2)on1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000011371262 557128309 /nfs/dbraw/zinc/12/83/09/557128309.db2.gz UJHZJGLAMZGGGM-UHFFFAOYSA-N 0 0 436.424 4.740 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3csc(-c4ccc(C)cc4)n3)c2C)no1 ZINC000017940081 557128888 /nfs/dbraw/zinc/12/88/88/557128888.db2.gz RSKFXNHZOGQXEP-UHFFFAOYSA-N 0 0 435.505 4.862 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C(C)C)cc2)cc1 ZINC000000656074 557129606 /nfs/dbraw/zinc/12/96/06/557129606.db2.gz ADKGJPQEHDMNTP-XZDHIHRUSA-N 0 0 440.609 4.619 50 0 IJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661953 557131094 /nfs/dbraw/zinc/13/10/94/557131094.db2.gz KXFQWCBFAWGZPL-LBPRGKRZSA-N 0 0 441.553 4.672 50 0 IJAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)c1ccccn1 ZINC000024001793 557131288 /nfs/dbraw/zinc/13/12/88/557131288.db2.gz CSJNEDMUZWUSMS-OAHLLOKOSA-N 0 0 437.594 4.820 50 0 IJAARN O=C(Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)c1cccs1 ZINC000024029014 557132326 /nfs/dbraw/zinc/13/23/26/557132326.db2.gz XICZZZBWLLUFBB-QGZVFWFLSA-N 0 0 448.548 4.883 50 0 IJAARN CNC(=O)c1cccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)c1 ZINC000024039883 557133296 /nfs/dbraw/zinc/13/32/96/557133296.db2.gz COQKHRCEXGKWFA-UHFFFAOYSA-N 0 0 428.467 4.599 50 0 IJAARN Cc1nc(COc2cccc(C(=O)OCc3ccc(C(=O)N4CCCC4)cc3)c2)cs1 ZINC000024359522 557134775 /nfs/dbraw/zinc/13/47/75/557134775.db2.gz HLVNTTSISMRSJJ-UHFFFAOYSA-N 0 0 436.533 4.624 50 0 IJAARN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)n1 ZINC000000693460 557137171 /nfs/dbraw/zinc/13/71/71/557137171.db2.gz MTYARGPGMDWHJC-UHFFFAOYSA-N 0 0 444.491 4.521 50 0 IJAARN COc1cc(CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C2CC2)ccc1OC(F)F ZINC000024276934 557142953 /nfs/dbraw/zinc/14/29/53/557142953.db2.gz VJXYUOSLYAXEHX-GFCCVEGCSA-N 0 0 448.491 4.534 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)NCCSc3ccc(Cl)cc3)c(=O)oc2c1 ZINC000011415219 557143158 /nfs/dbraw/zinc/14/31/58/557143158.db2.gz LAJXFARBGZPLHF-UHFFFAOYSA-N 0 0 431.941 4.605 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000024388429 557146031 /nfs/dbraw/zinc/14/60/31/557146031.db2.gz TYULJUSWFLRSFR-UHFFFAOYSA-N 0 0 425.916 4.576 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000000715531 557148088 /nfs/dbraw/zinc/14/80/88/557148088.db2.gz UEILHOYOJHDRKR-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1SC(=S)N1C[C@@H](C)O[C@H](C)C1 ZINC000000717474 557148535 /nfs/dbraw/zinc/14/85/35/557148535.db2.gz WANRXLSBXQMZLB-HTQZYQBOSA-N 0 0 443.805 4.705 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nc3ccccc3c2=O)cc1OC ZINC000024502347 557149176 /nfs/dbraw/zinc/14/91/76/557149176.db2.gz UUVSNULGFIYHFR-UHFFFAOYSA-N 0 0 446.528 4.686 50 0 IJAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC(C)C ZINC000011451268 557150102 /nfs/dbraw/zinc/15/01/02/557150102.db2.gz DTEDYORPSWYWLJ-UHFFFAOYSA-N 0 0 437.521 4.743 50 0 IJAARN COc1ccc(CCN(C)C(=O)CSc2nc3ccccc3n2CC(C)C)cc1OC ZINC000011489965 557152846 /nfs/dbraw/zinc/15/28/46/557152846.db2.gz NZPBGIJFMZHFHX-UHFFFAOYSA-N 0 0 441.597 4.503 50 0 IJAARN Cc1cc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)ccc1N1CCCC1=O ZINC000011486626 557153046 /nfs/dbraw/zinc/15/30/46/557153046.db2.gz KWQYUOXXHDQGDG-UHFFFAOYSA-N 0 0 430.533 4.679 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000024629279 557156324 /nfs/dbraw/zinc/15/63/24/557156324.db2.gz NTWODENRTYDHHZ-ACJLOTCBSA-N 0 0 426.866 4.991 50 0 IJAARN Cc1cc(-c2cc(C(=O)OCC(=O)N(C)c3ccccc3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000010953923 557157374 /nfs/dbraw/zinc/15/73/74/557157374.db2.gz INFJAMGLWQEBDT-UHFFFAOYSA-N 0 0 446.507 4.709 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1)NC1CC1 ZINC000024716490 557160319 /nfs/dbraw/zinc/16/03/19/557160319.db2.gz RYMUMGSIKAXPTE-UHFFFAOYSA-N 0 0 442.544 4.853 50 0 IJAARN CSCc1nnc(SCc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)o1 ZINC000024750576 557162366 /nfs/dbraw/zinc/16/23/66/557162366.db2.gz HXJIIQIGHFMCEN-UHFFFAOYSA-N 0 0 430.580 4.807 50 0 IJAARN O=C(OC[C@H]1CO[C@@](Br)(c2ccc(Cl)cc2Cl)O1)c1ccccc1 ZINC000096034746 557163386 /nfs/dbraw/zinc/16/33/86/557163386.db2.gz DAMDRNVINBXSOD-GUYCJALGSA-N 0 0 432.097 4.771 50 0 IJAARN Cc1[nH]c2c(cccc2C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c1C ZINC000024758550 557163921 /nfs/dbraw/zinc/16/39/21/557163921.db2.gz IZQULNMQPPLWJF-UHFFFAOYSA-N 0 0 426.542 4.787 50 0 IJAARN CSc1nc2ccc(NC(=O)CSc3nncn3-c3ccc(C)cc3)cc2s1 ZINC000024833094 557166037 /nfs/dbraw/zinc/16/60/37/557166037.db2.gz MDFCHMBXKCYGGO-UHFFFAOYSA-N 0 0 427.580 4.638 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNc2cccc3ccccc32)c1 ZINC000024831664 557166062 /nfs/dbraw/zinc/16/60/62/557166062.db2.gz KLIGURWKVXTQJG-UHFFFAOYSA-N 0 0 445.544 4.716 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(C)c1 ZINC000024777535 557167054 /nfs/dbraw/zinc/16/70/54/557167054.db2.gz AJTPJDVLABQCBX-UHFFFAOYSA-N 0 0 430.961 4.743 50 0 IJAARN CC(C)c1c(NC(=O)COc2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000024830183 557170123 /nfs/dbraw/zinc/17/01/23/557170123.db2.gz DMSJOPZGANCRJP-UHFFFAOYSA-N 0 0 434.323 4.624 50 0 IJAARN COc1cccc(-n2c3nc(SC)n(-c4ccccc4OC)c(=O)c3sc2=S)c1 ZINC000000756704 557170258 /nfs/dbraw/zinc/17/02/58/557170258.db2.gz HIOIDKVFNSYFRF-UHFFFAOYSA-N 0 0 443.575 4.706 50 0 IJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207016495 557170742 /nfs/dbraw/zinc/17/07/42/557170742.db2.gz ZLAXEYAILXTRNB-CYBMUJFWSA-N 0 0 437.443 4.792 50 0 IJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)cc2)c1 ZINC000024836814 557172307 /nfs/dbraw/zinc/17/23/07/557172307.db2.gz ZHARFTFWLWHQRX-UHFFFAOYSA-N 0 0 445.544 4.759 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2)o1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000024837883 557172623 /nfs/dbraw/zinc/17/26/23/557172623.db2.gz ZXDDEXLUAMIBSE-UHFFFAOYSA-N 0 0 432.520 4.674 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nnc(-c2ccco2)o1 ZINC000024837783 557172642 /nfs/dbraw/zinc/17/26/42/557172642.db2.gz NOTFRKGLYUBQQG-UHFFFAOYSA-N 0 0 442.825 4.853 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cs2)cc1 ZINC000024865548 557175378 /nfs/dbraw/zinc/17/53/78/557175378.db2.gz AWIMUSCWTFIOBJ-UHFFFAOYSA-N 0 0 433.577 4.968 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccc(C)c(F)c3)C(=S)N[C@H]2c2cccs2)no1 ZINC000011560002 557182475 /nfs/dbraw/zinc/18/24/75/557182475.db2.gz VLEVTWLULOKVPA-IBGZPJMESA-N 0 0 442.541 4.841 50 0 IJAARN CCOC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 ZINC000000786273 557182757 /nfs/dbraw/zinc/18/27/57/557182757.db2.gz GKYDINRSZJGRFM-UHFFFAOYSA-N 0 0 436.459 4.553 50 0 IJAARN Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009327718 557186645 /nfs/dbraw/zinc/18/66/45/557186645.db2.gz ABNPGKMFRGATHC-UHFFFAOYSA-N 0 0 438.940 4.559 50 0 IJAARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000009699333 557191456 /nfs/dbraw/zinc/19/14/56/557191456.db2.gz HATJYWOTIKFUHQ-UHFFFAOYSA-N 0 0 441.000 4.860 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)[nH]2)cc1 ZINC000009614914 557192022 /nfs/dbraw/zinc/19/20/22/557192022.db2.gz WVNHHQHQVTXDBZ-UHFFFAOYSA-N 0 0 442.629 4.990 50 0 IJAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(OC(C)C)cc1 ZINC000100872585 557194429 /nfs/dbraw/zinc/19/44/29/557194429.db2.gz WVTSCIYATQKTJM-XDOYNYLZSA-N 0 0 449.370 4.640 50 0 IJAARN COc1ccc(-c2nnc(SC[C@@H](O)Cn3c4ccccc4c4ccccc43)n2C)cc1 ZINC000025089461 557195176 /nfs/dbraw/zinc/19/51/76/557195176.db2.gz QPQUVLFAFHCMDI-SFHVURJKSA-N 0 0 444.560 4.752 50 0 IJAARN O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000025256993 557201510 /nfs/dbraw/zinc/20/15/10/557201510.db2.gz NVXFZUQCZKHRRF-GOSISDBHSA-N 0 0 430.401 4.760 50 0 IJAARN O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000025325829 557204190 /nfs/dbraw/zinc/20/41/90/557204190.db2.gz RLNQAXYBTASTCQ-UHFFFAOYSA-N 0 0 440.522 4.636 50 0 IJAARN COc1ccc(N(CCN2C(=O)c3cccc4cccc(c43)C2=O)C(=O)C(C)(C)C)cc1 ZINC000025338102 557204982 /nfs/dbraw/zinc/20/49/82/557204982.db2.gz JBSBUJQCLHPVAN-UHFFFAOYSA-N 0 0 430.504 4.524 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621130 557208510 /nfs/dbraw/zinc/20/85/10/557208510.db2.gz LSOKKFCFJNJEJV-QFIPXVFZSA-N 0 0 432.911 4.610 50 0 IJAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000010985911 557211473 /nfs/dbraw/zinc/21/14/73/557211473.db2.gz QDWRMQVUCVSEST-KRWDZBQOSA-N 0 0 449.580 4.779 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2ncccn2)cc1 ZINC000000797116 557212005 /nfs/dbraw/zinc/21/20/05/557212005.db2.gz OITMRGUQXMGHLC-YADHBBJMSA-N 0 0 433.558 4.805 50 0 aggregator IJAARN CCN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097161342 557212815 /nfs/dbraw/zinc/21/28/15/557212815.db2.gz XFVJOUFDUOJIME-IBGZPJMESA-N 0 0 433.430 4.630 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000018017320 557214482 /nfs/dbraw/zinc/21/44/82/557214482.db2.gz FOBFZQNKXJREPX-GOSISDBHSA-N 0 0 444.560 4.688 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)o2)cc1 ZINC000011644818 557219218 /nfs/dbraw/zinc/21/92/18/557219218.db2.gz MLBCCAFWOPVTSN-ZDUSSCGKSA-N 0 0 432.398 4.570 50 0 IJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000025712439 557222987 /nfs/dbraw/zinc/22/29/87/557222987.db2.gz BHHZORZQFDQMLD-XMMPIXPASA-N 0 0 429.568 4.914 50 0 IJAARN Fc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c(Cl)c1 ZINC000025748631 557224203 /nfs/dbraw/zinc/22/42/03/557224203.db2.gz ZWUDULADILDTFO-UHFFFAOYSA-N 0 0 432.952 4.938 50 0 IJAARN Cc1sc2ncn(CCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)c(=O)c2c1C ZINC000025903222 557229741 /nfs/dbraw/zinc/22/97/41/557229741.db2.gz MVDZJFRMRDGXPO-JOCHJYFZSA-N 0 0 449.601 4.701 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)o2)cc1 ZINC000011644426 557231270 /nfs/dbraw/zinc/23/12/70/557231270.db2.gz ZIKPUQCZKJPQRL-CYBMUJFWSA-N 0 0 448.306 4.855 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025990032 557231827 /nfs/dbraw/zinc/23/18/27/557231827.db2.gz ZWNHMSFUTYRUAP-MRXNPFEDSA-N 0 0 428.554 4.790 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCCn3c4ccccc4oc3=O)n2CC)cc1 ZINC000026045452 557232472 /nfs/dbraw/zinc/23/24/72/557232472.db2.gz PJAXFEQNGAZMQA-UHFFFAOYSA-N 0 0 437.569 4.511 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1F ZINC000098211455 557234884 /nfs/dbraw/zinc/23/48/84/557234884.db2.gz ZWANRPOWJWNFBI-UHFFFAOYSA-N 0 0 444.825 4.784 50 0 IJAARN CC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000098211483 557235130 /nfs/dbraw/zinc/23/51/30/557235130.db2.gz VITSBQAAYAHOIN-UHFFFAOYSA-N 0 0 430.464 4.696 50 0 IJAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000002488052 557237966 /nfs/dbraw/zinc/23/79/66/557237966.db2.gz MFYQVQPXLDWBJP-JOCHJYFZSA-N 0 0 430.342 4.574 50 0 IJAARN COC(=O)c1cn(CC(=O)N(Cc2cccs2)Cc2ccccc2OC)c2ccccc12 ZINC000026368550 557239750 /nfs/dbraw/zinc/23/97/50/557239750.db2.gz ROOQWCROJDQSCC-UHFFFAOYSA-N 0 0 448.544 4.727 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)CSc3ccccc32)cc1 ZINC000026392691 557240392 /nfs/dbraw/zinc/24/03/92/557240392.db2.gz NODZYWJYVOJTKM-UHFFFAOYSA-N 0 0 445.588 4.702 50 0 IJAARN C[C@@H](NC(=O)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1)c1ccccc1 ZINC000032951202 557241585 /nfs/dbraw/zinc/24/15/85/557241585.db2.gz VJRAEUAXYGUIEX-OAHLLOKOSA-N 0 0 441.516 4.539 50 0 IJAARN O=C(CSc1nccc(C(F)(F)F)n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000026480708 557242274 /nfs/dbraw/zinc/24/22/74/557242274.db2.gz WUFGHQPXGFPSNO-GFCCVEGCSA-N 0 0 438.456 4.620 50 0 IJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000018157629 557244470 /nfs/dbraw/zinc/24/44/70/557244470.db2.gz QRRUQPQKVQQXGX-UHFFFAOYSA-N 0 0 436.515 4.596 50 0 IJAARN COc1cccc(OC)c1-c1oc2cc3c(cc2c1-c1cc2c(cc1O)OCO2)OCO3 ZINC000604405178 557248607 /nfs/dbraw/zinc/24/86/07/557248607.db2.gz MEOWRSCWOBFCTJ-UHFFFAOYSA-N 0 0 434.400 4.947 50 0 biogenic IJAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000026844249 557249413 /nfs/dbraw/zinc/24/94/13/557249413.db2.gz GXWBYJWIFHDDCR-UHFFFAOYSA-N 0 0 443.396 4.636 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000027017397 557254284 /nfs/dbraw/zinc/25/42/84/557254284.db2.gz XAGBBUGTDDPHKK-HSZRJFAPSA-N 0 0 441.531 4.980 50 0 IJAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1 ZINC000027017583 557254353 /nfs/dbraw/zinc/25/43/53/557254353.db2.gz UYGFBSBQKWQMPW-GLBTYYSXSA-N 0 0 445.906 4.736 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(-c2ccco2)n1 ZINC000027072541 557256679 /nfs/dbraw/zinc/25/66/79/557256679.db2.gz COYRBNVFDDHVJU-UHFFFAOYSA-N 0 0 438.336 4.740 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C2SCCCS2)c1 ZINC000027131282 557257598 /nfs/dbraw/zinc/25/75/98/557257598.db2.gz GQEKVABZEYQGNF-UHFFFAOYSA-N 0 0 428.000 4.621 50 0 IJAARN CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1cc(OC)c(OC)c(OC)c1 ZINC000101192260 557262998 /nfs/dbraw/zinc/26/29/98/557262998.db2.gz IVUMYNMECQXYQQ-UHFFFAOYSA-N 0 0 425.481 4.923 50 0 biogenic IJAARN COc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc32)cc1 ZINC000027564044 557265516 /nfs/dbraw/zinc/26/55/16/557265516.db2.gz MXUOJXLJJYAQCI-AREMUKBSSA-N 0 0 439.515 4.679 50 0 IJAARN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc2n1C ZINC000027564068 557265829 /nfs/dbraw/zinc/26/58/29/557265829.db2.gz XGXJQDRYVUSJHN-VWLOTQADSA-N 0 0 427.479 4.810 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000027680675 557271326 /nfs/dbraw/zinc/27/13/26/557271326.db2.gz QMKWLIKCYYKZBP-HNNXBMFYSA-N 0 0 433.537 4.655 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100724599 557271746 /nfs/dbraw/zinc/27/17/46/557271746.db2.gz DGYIORVYEFFGSJ-NJDAHSKKSA-N 0 0 438.405 4.757 50 0 IJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000000829929 557272381 /nfs/dbraw/zinc/27/23/81/557272381.db2.gz IYBWJJIWAJVTBD-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072408 557274921 /nfs/dbraw/zinc/27/49/21/557274921.db2.gz CLOLMYNWIKLJLT-CRALRDPISA-N 0 0 432.423 4.811 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000101367900 557277939 /nfs/dbraw/zinc/27/79/39/557277939.db2.gz FEMXQHRMAMKDBS-HXUWFJFHSA-N 0 0 445.972 4.535 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NCc3ccccc3)=CSC2=N1 ZINC000101387564 557282356 /nfs/dbraw/zinc/28/23/56/557282356.db2.gz ITDHLFYHJONHPR-QHCPKHFHSA-N 0 0 447.560 4.531 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3NC3CCCCC3)cc2)cc1C ZINC000101601633 557291599 /nfs/dbraw/zinc/29/15/99/557291599.db2.gz ZSSSGPWAUOIUFR-UHFFFAOYSA-N 0 0 431.536 4.508 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000031672800 557293432 /nfs/dbraw/zinc/29/34/32/557293432.db2.gz OYSQTEREEUVIGM-UHFFFAOYSA-N 0 0 437.883 4.575 50 0 IJAARN Cc1csc(=O)n1CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000014067201 557295102 /nfs/dbraw/zinc/29/51/02/557295102.db2.gz UZQMYDDBQMKKDQ-UHFFFAOYSA-N 0 0 432.958 4.564 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1C ZINC000101828058 557299777 /nfs/dbraw/zinc/29/97/77/557299777.db2.gz GHZBEFRYORZUOV-SFHVURJKSA-N 0 0 436.515 4.926 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C)c1ccc(F)cc1 ZINC000014085587 557300222 /nfs/dbraw/zinc/30/02/22/557300222.db2.gz JDWPGABTTLBFTM-KGLIPLIRSA-N 0 0 448.951 4.545 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000011666675 557301049 /nfs/dbraw/zinc/30/10/49/557301049.db2.gz AYRFJQUKJWQLHI-QHAWAJNXSA-N 0 0 449.304 4.500 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccccc1Cl ZINC000023119137 557302858 /nfs/dbraw/zinc/30/28/58/557302858.db2.gz UHMGGQJDIUOKNI-UHFFFAOYSA-N 0 0 438.940 4.796 50 0 IJAARN COc1ccc(CC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023325427 557304037 /nfs/dbraw/zinc/30/40/37/557304037.db2.gz HDUYVVQPODPZJB-SANMLTNESA-N 0 0 434.967 4.825 50 0 IJAARN COC(=O)c1ccc(COc2ccc([C@@H]3CC(c4ccccc4)=Nc4ncnn43)cc2)cc1 ZINC000102157051 557313722 /nfs/dbraw/zinc/31/37/22/557313722.db2.gz BJWXWZVPFSZPMJ-DEOSSOPVSA-N 0 0 438.487 4.700 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000032524933 557313760 /nfs/dbraw/zinc/31/37/60/557313760.db2.gz VALBRNXHAMTONP-PKNBQFBNSA-N 0 0 437.927 4.602 50 0 IJAARN Cc1sc2[nH]c(SCC(=O)N[C@@H](C)c3ccco3)nc(=O)c2c1-c1ccccc1 ZINC000032745430 557314776 /nfs/dbraw/zinc/31/47/76/557314776.db2.gz HNHWARLAMJKMSC-LBPRGKRZSA-N 0 0 425.535 4.523 50 0 IJAARN CCCN(CCC)C(=O)CC1=CSC2=NC(C)=C(C(=O)OC)[C@H](c3ccsc3)N12 ZINC000102247792 557315425 /nfs/dbraw/zinc/31/54/25/557315425.db2.gz REVMNKUNMSGDGM-IBGZPJMESA-N 0 0 433.599 4.535 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000102227674 557315882 /nfs/dbraw/zinc/31/58/82/557315882.db2.gz QOFRJFYRVAOCNS-VWKPWSFCSA-N 0 0 427.928 4.669 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2cccnc2Oc2ccccc2)CC1 ZINC000032832642 557316746 /nfs/dbraw/zinc/31/67/46/557316746.db2.gz FCUNCVFCFNCVBW-BUHFOSPRSA-N 0 0 427.504 4.764 50 0 IJAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014200626 557317305 /nfs/dbraw/zinc/31/73/05/557317305.db2.gz UNEAXFKABVCMHY-UHFFFAOYSA-N 0 0 445.494 4.525 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1I ZINC000014208601 557318557 /nfs/dbraw/zinc/31/85/57/557318557.db2.gz WMVFJNHRBCLFHO-UHFFFAOYSA-N 0 0 436.224 4.657 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)CC1 ZINC000032952873 557320340 /nfs/dbraw/zinc/32/03/40/557320340.db2.gz YVYYBEQHKAAKER-UHFFFAOYSA-N 0 0 438.531 4.576 50 0 IJAARN CCOC(=O)C1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4C)n32)CC1 ZINC000102445565 557325776 /nfs/dbraw/zinc/32/57/76/557325776.db2.gz PUDKPGUYDZDSOE-UHFFFAOYSA-N 0 0 449.942 4.686 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nccnc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033170168 557326640 /nfs/dbraw/zinc/32/66/40/557326640.db2.gz XPTVIUJCSCTLNH-UHFFFAOYSA-N 0 0 446.620 4.653 50 0 IJAARN Cc1cc(SCC(=O)NC[C@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268975 557328652 /nfs/dbraw/zinc/32/86/52/557328652.db2.gz AZZUUGLBRUUIBH-INIZCTEOSA-N 0 0 434.540 4.856 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3ccc(Cl)cc3)no2)c1C ZINC000033296828 557330391 /nfs/dbraw/zinc/33/03/91/557330391.db2.gz QIFHGZVGNDCNMO-UHFFFAOYSA-N 0 0 432.871 4.969 50 0 IJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccccc2C)n1 ZINC000033325086 557333159 /nfs/dbraw/zinc/33/31/59/557333159.db2.gz WGJGBZHNQSFUBK-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)N[C@H]3CCCc4ccccc43)ccc2n1-c1ccccc1 ZINC000014357473 557335643 /nfs/dbraw/zinc/33/56/43/557335643.db2.gz XSOBLVAOSGVUNO-QHCPKHFHSA-N 0 0 439.515 4.685 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000000839727 557337539 /nfs/dbraw/zinc/33/75/39/557337539.db2.gz CNBJYMFADVOSHF-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C(=O)C2)c(C)c1 ZINC000102531184 557343382 /nfs/dbraw/zinc/34/33/82/557343382.db2.gz VHZBMLHWPCIUJT-UHFFFAOYSA-N 0 0 429.495 4.616 50 0 IJAARN O=C(c1cc(F)c(F)cc1F)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023333173 557347083 /nfs/dbraw/zinc/34/70/83/557347083.db2.gz MEZUTRDEGAMTHY-HSZRJFAPSA-N 0 0 428.429 4.790 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cc(Br)ccc1F ZINC000025274711 557348028 /nfs/dbraw/zinc/34/80/28/557348028.db2.gz YERDZNHDFGTLHQ-VMPITWQZSA-N 0 0 434.265 4.683 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023430553 557355138 /nfs/dbraw/zinc/35/51/38/557355138.db2.gz NHGAZNBQKZFPOD-HSZRJFAPSA-N 0 0 444.959 4.575 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000023429658 557355169 /nfs/dbraw/zinc/35/51/69/557355169.db2.gz DSHVGPCBTJOBOQ-GOSISDBHSA-N 0 0 431.536 4.897 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000023442434 557358300 /nfs/dbraw/zinc/35/83/00/557358300.db2.gz OGIXUJIZAKXBHF-QHCPKHFHSA-N 0 0 427.422 4.909 50 0 IJAARN Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 ZINC000149387856 557358442 /nfs/dbraw/zinc/35/84/42/557358442.db2.gz YIDDLAAKOYYGJG-UHFFFAOYSA-N 0 0 445.502 4.684 50 0 in-man IJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCc3cnc(C)cn3)cc2)cc1 ZINC000023447241 557359135 /nfs/dbraw/zinc/35/91/35/557359135.db2.gz BDLKSOSAPKOWQI-UHFFFAOYSA-N 0 0 425.536 4.910 50 0 IJAARN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023447031 557359160 /nfs/dbraw/zinc/35/91/60/557359160.db2.gz WGROKSGNQFVWBA-UHFFFAOYSA-N 0 0 439.515 4.878 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)oc3C)c2)n(-c2ccccn2)n1 ZINC000023460916 557360580 /nfs/dbraw/zinc/36/05/80/557360580.db2.gz HDLFKVKUSLMSBH-UHFFFAOYSA-N 0 0 430.464 4.573 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023457471 557362979 /nfs/dbraw/zinc/36/29/79/557362979.db2.gz WJXSQLWJXVJGHF-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000023535652 557365548 /nfs/dbraw/zinc/36/55/48/557365548.db2.gz NCRZZQMOKIPOML-UHFFFAOYSA-N 0 0 438.449 4.971 50 0 IJAARN O=C1[C@@H](Cc2ccccc2)N(CN2CCCc3ccccc32)C(=S)N1c1ccccc1 ZINC000072332318 557371507 /nfs/dbraw/zinc/37/15/07/557371507.db2.gz VNXOCPXUDJMKLO-XMMPIXPASA-N 0 0 427.573 4.642 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000102749213 557379178 /nfs/dbraw/zinc/37/91/78/557379178.db2.gz GXKIREHZUOTFOE-KMDXXIMOSA-N 0 0 446.478 4.666 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)c(C)c1 ZINC000102763898 557380835 /nfs/dbraw/zinc/38/08/35/557380835.db2.gz MJRFWFVTWDACHE-RJGXRXQPSA-N 0 0 434.442 4.633 50 0 IJAARN FC(F)Oc1ccc(Br)cc1[C@@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102763552 557380983 /nfs/dbraw/zinc/38/09/83/557380983.db2.gz JNGPUJMYKQKHRX-LBPRGKRZSA-N 0 0 425.258 4.760 50 0 IJAARN O=C(CSC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1c1ccccc1)c1ccccc1 ZINC000011691719 557384666 /nfs/dbraw/zinc/38/46/66/557384666.db2.gz PNIMEKPAWKFWRZ-MOSHPQCFSA-N 0 0 442.496 4.775 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 ZINC000072400808 557394144 /nfs/dbraw/zinc/39/41/44/557394144.db2.gz NPHRLBCRFXSBQB-UHFFFAOYSA-N 0 0 443.503 4.826 50 0 IJAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCCOC(C)C ZINC000004935493 557410752 /nfs/dbraw/zinc/41/07/52/557410752.db2.gz YHOPMTBSSZYJEC-UHFFFAOYSA-N 0 0 428.964 4.530 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)NCCc3cccc(C)c3)c2C)c1-c1ccccc1 ZINC000004935766 557411150 /nfs/dbraw/zinc/41/11/50/557411150.db2.gz XKUJOVZQSQWYPF-UHFFFAOYSA-N 0 0 426.564 4.921 50 0 IJAARN COC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000103460001 557437676 /nfs/dbraw/zinc/43/76/76/557437676.db2.gz MPIVZUUFIHBZMK-QNGOZBTKSA-N 0 0 434.879 4.536 50 0 IJAARN O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N(CCO)c1ccccc1 ZINC000016193546 557470551 /nfs/dbraw/zinc/47/05/51/557470551.db2.gz RNZNGYXQORFSSY-UHFFFAOYSA-N 0 0 425.444 4.789 50 0 IJAARN C[C@@H](CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N(C)c1ccccc1 ZINC000046809438 557512834 /nfs/dbraw/zinc/51/28/34/557512834.db2.gz OVFZRCVKCJQDME-AWEZNQCLSA-N 0 0 436.865 4.799 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccc(Br)o3)cc21 ZINC000003180782 557523524 /nfs/dbraw/zinc/52/35/24/557523524.db2.gz OAWZBYOKPXSWTL-VMPITWQZSA-N 0 0 449.253 4.519 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1cc(OC)ccc1Cl ZINC000044900419 557540088 /nfs/dbraw/zinc/54/00/88/557540088.db2.gz LULPZSIWRNACIZ-SFHVURJKSA-N 0 0 440.887 4.530 50 0 IJAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000044901437 557540185 /nfs/dbraw/zinc/54/01/85/557540185.db2.gz PRXDAGDSNUAISC-UHFFFAOYSA-N 0 0 431.879 4.995 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H]1C ZINC000108860770 557544225 /nfs/dbraw/zinc/54/42/25/557544225.db2.gz RWNYMRMYYVQYHZ-IEGUWTFLSA-N 0 0 449.526 4.776 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000108860138 557544253 /nfs/dbraw/zinc/54/42/53/557544253.db2.gz HEFBWWKAIOBIEH-VCBZYWHSSA-N 0 0 449.473 4.942 50 0 IJAARN CC(C)c1ccc(CN(C)[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000108951042 557544764 /nfs/dbraw/zinc/54/47/64/557544764.db2.gz DOAOTUSMQUGLHO-CLJLJLNGSA-N 0 0 434.605 4.886 50 0 IJAARN CC(C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000109130919 557545594 /nfs/dbraw/zinc/54/55/94/557545594.db2.gz LKIYDCMHUIOJMY-LJQANCHMSA-N 0 0 444.329 4.529 50 0 IJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cccc4C)ccn3n2)cc1 ZINC000045921780 557547629 /nfs/dbraw/zinc/54/76/29/557547629.db2.gz YHDXFPDBKOIVCK-UHFFFAOYSA-N 0 0 444.535 4.597 50 0 IJAARN COc1ccc(C(=O)Nc2cc3c(cc2Sc2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000045940945 557549365 /nfs/dbraw/zinc/54/93/65/557549365.db2.gz QULLKMJZXLVHSW-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN Cc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(C(C)C)cc4)nn32)cc1C ZINC000045925634 557550109 /nfs/dbraw/zinc/55/01/09/557550109.db2.gz KMLWOZCTLVABHC-UHFFFAOYSA-N 0 0 447.564 4.556 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(C(C)C)cc3)nn21 ZINC000045925637 557550130 /nfs/dbraw/zinc/55/01/30/557550130.db2.gz GBXDAJQRIABJOZ-UHFFFAOYSA-N 0 0 447.564 4.556 50 0 IJAARN Cc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)ccc1Br ZINC000045941278 557550826 /nfs/dbraw/zinc/55/08/26/557550826.db2.gz NQGRSDNENUARMU-UHFFFAOYSA-N 0 0 435.119 4.958 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941964 557551467 /nfs/dbraw/zinc/55/14/67/557551467.db2.gz HKBZOBQUQFMORS-QHCPKHFHSA-N 0 0 429.472 4.535 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941981 557551491 /nfs/dbraw/zinc/55/14/91/557551491.db2.gz IYWSXWXYWDYPLA-HSZRJFAPSA-N 0 0 431.463 4.974 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2OC)cc1 ZINC000045941988 557551521 /nfs/dbraw/zinc/55/15/21/557551521.db2.gz VACQPNQUOPGQQC-HSZRJFAPSA-N 0 0 429.472 4.535 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)c2oc1-c1ccccc1 ZINC000040148993 557703281 /nfs/dbraw/zinc/70/32/81/557703281.db2.gz SSEUSNDUFQJDMD-UHFFFAOYSA-N 0 0 440.434 4.741 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc4cc[nH]c4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288157 557716443 /nfs/dbraw/zinc/71/64/43/557716443.db2.gz FKEIQBHFUIJSNU-DNQXCXABSA-N 0 0 425.488 4.726 50 0 IJAARN CCn1ccnc1[C@H]1CCCCN1c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000225478946 557727704 /nfs/dbraw/zinc/72/77/04/557727704.db2.gz YRGZMJSWRIVEPT-GOSISDBHSA-N 0 0 445.596 4.975 50 0 IJAARN NS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000225641279 557755619 /nfs/dbraw/zinc/75/56/19/557755619.db2.gz XJMMCDLMDDOEKN-UHFFFAOYSA-N 0 0 444.516 4.545 50 0 IJAARN CN(C)c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000225849478 557785034 /nfs/dbraw/zinc/78/50/34/557785034.db2.gz BFCNHQPHAZFAOQ-HSZRJFAPSA-N 0 0 439.968 4.946 50 0 IJAARN Cc1ccc(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1 ZINC000024992616 557830443 /nfs/dbraw/zinc/83/04/43/557830443.db2.gz VURADENHLBKOQA-UHFFFAOYSA-N 0 0 430.426 4.817 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C ZINC000000851316 557830761 /nfs/dbraw/zinc/83/07/61/557830761.db2.gz IDKHPBCXFAAGAY-UHFFFAOYSA-N 0 0 430.309 4.969 50 0 IJAARN C[C@@H](CC(=O)NCc1cccc(OC(F)F)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000241124250 557845965 /nfs/dbraw/zinc/84/59/65/557845965.db2.gz JGRVPHOYMHYVLY-HNNXBMFYSA-N 0 0 426.504 4.578 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC ZINC000000873164 557848021 /nfs/dbraw/zinc/84/80/21/557848021.db2.gz YRVOQIOMDFWKAJ-UHFFFAOYSA-N 0 0 441.576 4.905 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000000886923 557855774 /nfs/dbraw/zinc/85/57/74/557855774.db2.gz APRWYQKYLOWQNS-UHFFFAOYSA-N 0 0 443.532 4.571 50 0 IJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000000886972 557855926 /nfs/dbraw/zinc/85/59/26/557855926.db2.gz BNMNYMYRFCPPII-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000000886964 557855993 /nfs/dbraw/zinc/85/59/93/557855993.db2.gz DJPJVAGFVRCAHM-UHFFFAOYSA-N 0 0 445.976 4.611 50 0 IJAARN Cc1ccc(-n2nnnc2S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000025061836 557862386 /nfs/dbraw/zinc/86/23/86/557862386.db2.gz JPGJSGQMZUSHRZ-LBPRGKRZSA-N 0 0 432.431 4.893 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003130455 562932475 /nfs/dbraw/zinc/93/24/75/562932475.db2.gz FCWNHTBGFOOASZ-HNNXBMFYSA-N 0 0 446.787 4.904 50 0 IJAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000002383499 562927292 /nfs/dbraw/zinc/92/72/92/562927292.db2.gz YOMSYJUNSSUQQB-UHFFFAOYSA-N 0 0 446.319 4.658 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OC ZINC000002402265 562927365 /nfs/dbraw/zinc/92/73/65/562927365.db2.gz MWTJCNBSDYFWJA-HSZRJFAPSA-N 0 0 442.471 4.572 50 0 IJAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(NCc2ccccc2)n1 ZINC000002933020 562930724 /nfs/dbraw/zinc/93/07/24/562930724.db2.gz NECRVJDNGKKFTD-UHFFFAOYSA-N 0 0 428.561 4.993 50 0 IJAARN CCC(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccccc1OC ZINC000002980231 562931413 /nfs/dbraw/zinc/93/14/13/562931413.db2.gz XWIFLEWXWTUPMC-HXUWFJFHSA-N 0 0 427.541 4.653 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC2 ZINC000003006486 562931599 /nfs/dbraw/zinc/93/15/99/562931599.db2.gz YVJVWQMFOPBTQZ-QFIPXVFZSA-N 0 0 439.458 4.801 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)C=Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003224072 562932945 /nfs/dbraw/zinc/93/29/45/562932945.db2.gz XQENRSIWPDXGJB-CVJKAFSHSA-N 0 0 443.455 4.554 50 0 IJAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000003364310 562934932 /nfs/dbraw/zinc/93/49/32/562934932.db2.gz SCFUXYGOTDGMAV-UHFFFAOYSA-N 0 0 449.654 4.880 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(C)n1CC(F)(F)F ZINC000003443657 562935924 /nfs/dbraw/zinc/93/59/24/562935924.db2.gz RAPGOIJVMKPLQO-UHFFFAOYSA-N 0 0 447.457 4.569 50 0 IJAARN COc1ccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000003585712 562936576 /nfs/dbraw/zinc/93/65/76/562936576.db2.gz GBAWIQRBUMTHBB-UHFFFAOYSA-N 0 0 434.492 4.682 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000004079195 562941584 /nfs/dbraw/zinc/94/15/84/562941584.db2.gz APOAJSKBAITGTJ-UHFFFAOYSA-N 0 0 430.416 4.675 50 0 aggregator IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1 ZINC000006577989 562948007 /nfs/dbraw/zinc/94/80/07/562948007.db2.gz IIPFQUGUACJUBP-UHFFFAOYSA-N 0 0 449.555 4.683 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1c1ccccn1 ZINC000008583652 562949830 /nfs/dbraw/zinc/94/98/30/562949830.db2.gz FLGHFRVRPWUZFB-LJQANCHMSA-N 0 0 433.261 4.700 50 0 IJAARN Cc1nn(CCCC(=O)NCc2ccc(OC(C)C)cc2)c(=O)c2c3ccccc3sc21 ZINC000008587871 562950545 /nfs/dbraw/zinc/95/05/45/562950545.db2.gz KIGTUAWGEVVPHE-UHFFFAOYSA-N 0 0 449.576 4.803 50 0 IJAARN COc1cccc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)c(=O)oc21 ZINC000008588360 562950681 /nfs/dbraw/zinc/95/06/81/562950681.db2.gz FVFZVTRCAMTENA-CYBMUJFWSA-N 0 0 436.533 4.918 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000008589975 562951410 /nfs/dbraw/zinc/95/14/10/562951410.db2.gz NFHRWJMXNCWJAE-QFIPXVFZSA-N 0 0 430.342 4.673 50 0 IJAARN O=C(NC1CC1)c1ccc(Cn2c(SCc3ccccc3F)nc3cccnc32)cc1 ZINC000008591234 562952007 /nfs/dbraw/zinc/95/20/07/562952007.db2.gz RPFNMCFPHGOMSG-UHFFFAOYSA-N 0 0 432.524 4.803 50 0 IJAARN COc1cc(OC)c(NC(=O)Cc2ccc(-n3c(C)nc4cccnc43)cc2)cc1Cl ZINC000008592206 562952274 /nfs/dbraw/zinc/95/22/74/562952274.db2.gz YKKDDYDXLYFDDE-UHFFFAOYSA-N 0 0 436.899 4.581 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000008593091 562952559 /nfs/dbraw/zinc/95/25/59/562952559.db2.gz PRZIIBXNUSCULT-XMMPIXPASA-N 0 0 428.488 4.624 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000008598947 562954504 /nfs/dbraw/zinc/95/45/04/562954504.db2.gz RTBPMABNOMPATE-UHFFFAOYSA-N 0 0 437.908 4.963 50 0 IJAARN COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000008599298 562954629 /nfs/dbraw/zinc/95/46/29/562954629.db2.gz ROCYUXASGCDEKB-UHFFFAOYSA-N 0 0 444.560 4.698 50 0 aggregator IJAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccco2)cc1 ZINC000008601293 562955220 /nfs/dbraw/zinc/95/52/20/562955220.db2.gz GSFFIQUZGYPXTG-IBGZPJMESA-N 0 0 437.439 4.552 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000008603688 562956053 /nfs/dbraw/zinc/95/60/53/562956053.db2.gz VFJPEMRXHFFIJV-UHFFFAOYSA-N 0 0 433.533 4.885 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(=O)n4c(n3)sc3c4CCCC3)cc2)c1 ZINC000008603875 562956170 /nfs/dbraw/zinc/95/61/70/562956170.db2.gz PDKAQGGEZRZWLE-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1OC ZINC000008603994 562956236 /nfs/dbraw/zinc/95/62/36/562956236.db2.gz AFQGEJBVGBHZQU-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]CCc3cc(OC)ccc3OC)c(C(=O)[O-])c2C)cc1 ZINC000008614231 562959588 /nfs/dbraw/zinc/95/95/88/562959588.db2.gz FZEWFACUMSKXKA-UHFFFAOYSA-N 0 0 448.563 4.844 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)nc1sc(Nc3ccccc3)nn1c2=O ZINC000008614885 562959674 /nfs/dbraw/zinc/95/96/74/562959674.db2.gz YKSDSKDHIZYXQI-UHFFFAOYSA-N 0 0 445.548 4.668 50 0 IJAARN CCn1cc2nc(SCc3ccc(F)cc3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000008619173 562959824 /nfs/dbraw/zinc/95/98/24/562959824.db2.gz SYAABTUGEFETHD-UHFFFAOYSA-N 0 0 428.920 4.746 50 0 IJAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1cccc(C(F)(F)F)c1)n2C1CC1 ZINC000008619571 562959964 /nfs/dbraw/zinc/95/99/64/562959964.db2.gz YPDFGEJTCGVTDV-UHFFFAOYSA-N 0 0 449.454 4.533 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NCc1ccccc1 ZINC000008649058 562960159 /nfs/dbraw/zinc/96/01/59/562960159.db2.gz KYAVHXQIMAJQHM-UHFFFAOYSA-N 0 0 449.601 4.541 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000008673704 562961310 /nfs/dbraw/zinc/96/13/10/562961310.db2.gz YTKIFRYBCKRBJA-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN O=C(Nc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008685586 562962570 /nfs/dbraw/zinc/96/25/70/562962570.db2.gz NETNWPQYEFZBEX-UHFFFAOYSA-N 0 0 428.341 4.812 50 0 aggregator IJAARN O=C(CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1)N1CCCC1 ZINC000008830896 562964941 /nfs/dbraw/zinc/96/49/41/562964941.db2.gz WNHUASOYKRADIL-UHFFFAOYSA-N 0 0 431.970 4.917 50 0 IJAARN CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)c1 ZINC000008845293 562965154 /nfs/dbraw/zinc/96/51/54/562965154.db2.gz MVMJFKAAGRVKPT-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN CCCCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000008860083 562965236 /nfs/dbraw/zinc/96/52/36/562965236.db2.gz OVVJEAXJBXVSEO-GOSISDBHSA-N 0 0 434.558 4.641 50 0 IJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c1 ZINC000009592584 562973765 /nfs/dbraw/zinc/97/37/65/562973765.db2.gz VMYWJNRHSQIEQV-UHFFFAOYSA-N 0 0 437.565 4.648 50 0 IJAARN Cc1cnc(C(=O)O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cn1 ZINC000011480776 562978768 /nfs/dbraw/zinc/97/87/68/562978768.db2.gz OATDXEUSTIKQAH-SFHVURJKSA-N 0 0 449.816 4.994 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)CSc2ccc(F)cc2)cs1 ZINC000030702259 563083124 /nfs/dbraw/zinc/08/31/24/563083124.db2.gz XTXJUYVMDZTWNA-UHFFFAOYSA-N 0 0 430.526 4.607 50 0 IJAARN Cc1ccc(-c2nc3cc(Cl)ccc3c(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000037382093 563095913 /nfs/dbraw/zinc/09/59/13/563095913.db2.gz GRTZYXXBIUVHFW-UHFFFAOYSA-N 0 0 432.911 4.814 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984013 568622896 /nfs/dbraw/zinc/62/28/96/568622896.db2.gz LOSFQGXQAVDBMR-LOSJGSFVSA-N 0 0 448.538 4.569 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985192 568623467 /nfs/dbraw/zinc/62/34/67/568623467.db2.gz PMUPHGFSKUWINQ-BJKOFHAPSA-N 0 0 448.538 4.569 50 0 IJAARN O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000015043116 568634365 /nfs/dbraw/zinc/63/43/65/568634365.db2.gz IFCPKWNJHGXKMY-UHFFFAOYSA-N 0 0 436.508 4.556 50 0 IJAARN O=C(Nc1ccccc1-n1nc2ccccc2n1)Nc1ccccc1-n1nc2ccccc2n1 ZINC000252478178 568638939 /nfs/dbraw/zinc/63/89/39/568638939.db2.gz AFDYTPVYIGERJS-UHFFFAOYSA-N 0 0 446.474 4.798 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000086056983 568642032 /nfs/dbraw/zinc/64/20/32/568642032.db2.gz XGEQVYZJANHZGR-IBGZPJMESA-N 0 0 435.549 4.634 50 0 IJAARN Cc1nnc(-c2nn(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ccc(F)cc3)c2C)o1 ZINC000025148496 568642196 /nfs/dbraw/zinc/64/21/96/568642196.db2.gz SVSOZPXTWNMSFR-UHFFFAOYSA-N 0 0 445.498 4.971 50 0 IJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000086057019 568642246 /nfs/dbraw/zinc/64/22/46/568642246.db2.gz OPFABTYRDDBAIC-GOSISDBHSA-N 0 0 435.549 4.634 50 0 IJAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000086066399 568644374 /nfs/dbraw/zinc/64/43/74/568644374.db2.gz ZLNHIIJUINDKHB-UHFFFAOYSA-N 0 0 449.942 4.569 50 0 IJAARN CC(C)[C@@H](C(=O)O[C@H]1C(=O)N(C)C(=O)N1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000970418 568647457 /nfs/dbraw/zinc/64/74/57/568647457.db2.gz WNEVEZLPHUGSLH-MJGOQNOKSA-N 0 0 435.307 4.701 50 0 IJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccccc1 ZINC000000976338 568647995 /nfs/dbraw/zinc/64/79/95/568647995.db2.gz FGGJMBLWUXVTQK-OAHLLOKOSA-N 0 0 429.977 4.991 50 0 IJAARN O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)OCc1ccccc1 ZINC000000977051 568648245 /nfs/dbraw/zinc/64/82/45/568648245.db2.gz CEFMEUSKFDBHBA-UHFFFAOYSA-N 0 0 448.523 4.854 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1 ZINC000001003193 568650998 /nfs/dbraw/zinc/65/09/98/568650998.db2.gz LPOREWYGRZVXOP-UHFFFAOYSA-N 0 0 435.434 4.853 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(F)cc1 ZINC000001104709 568660642 /nfs/dbraw/zinc/66/06/42/568660642.db2.gz IGGGKQOZFSYIKR-UHFFFAOYSA-N 0 0 435.322 4.517 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cc(Br)cc2C)n1C ZINC000001126485 568661526 /nfs/dbraw/zinc/66/15/26/568661526.db2.gz VDKDYKOFPBYFQM-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 ZINC000001128822 568661596 /nfs/dbraw/zinc/66/15/96/568661596.db2.gz AGEDDPFSXAXZNT-UHFFFAOYSA-N 0 0 440.532 4.903 50 0 IJAARN CCCc1cc2c(cc1OCC(=O)OCC)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001132490 568662079 /nfs/dbraw/zinc/66/20/79/568662079.db2.gz FAPRJCSWFQBUIT-UHFFFAOYSA-N 0 0 438.476 4.516 50 0 biogenic IJAARN COC(=O)C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348205 568731065 /nfs/dbraw/zinc/73/10/65/568731065.db2.gz CDAUSDISIHTTHK-KGFPYENLSA-N 0 0 446.584 4.746 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000082087196 568735069 /nfs/dbraw/zinc/73/50/69/568735069.db2.gz MGKALHYDCQOKGF-UHFFFAOYSA-N 0 0 445.544 4.520 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)CC[C@H]1c1ccccc1 ZINC000034733240 568737601 /nfs/dbraw/zinc/73/76/01/568737601.db2.gz AMWSRIQZQGOMBJ-CVDCTZTESA-N 0 0 439.556 4.605 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnc(-c2ccncc2)n1CC ZINC000031642297 568741256 /nfs/dbraw/zinc/74/12/56/568741256.db2.gz VFMLYWFTGVZQDV-UHFFFAOYSA-N 0 0 433.537 4.686 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1c2ccccc2CCc2ccccc21 ZINC000031680610 568741592 /nfs/dbraw/zinc/74/15/92/568741592.db2.gz SXCMKJRYYKYNLZ-UHFFFAOYSA-N 0 0 440.524 4.812 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003274242 568744631 /nfs/dbraw/zinc/74/46/31/568744631.db2.gz HIXFADKTNBHNNE-SECBINFHSA-N 0 0 442.759 4.957 50 0 IJAARN Nc1cccc2c1C(=O)N(C(=O)c1cc(-c3ccccc3Cl)nc3ccccc31)C2=O ZINC000003328732 568746240 /nfs/dbraw/zinc/74/62/40/568746240.db2.gz CFTRIZQAAJPXQE-UHFFFAOYSA-N 0 0 427.847 4.574 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000003346835 568746717 /nfs/dbraw/zinc/74/67/17/568746717.db2.gz KGGLULVDVIWLAL-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN Cc1csc(SCc2ccc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2)n1 ZINC000003361556 568747123 /nfs/dbraw/zinc/74/71/23/568747123.db2.gz IGYIOPMWGADUPX-UHFFFAOYSA-N 0 0 425.579 4.763 50 0 IJAARN Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(N2CCC(C)CC2)n1 ZINC000044169250 568749136 /nfs/dbraw/zinc/74/91/36/568749136.db2.gz MTTPMBUXFKAIBY-UHFFFAOYSA-N 0 0 442.869 4.711 50 0 IJAARN CSc1ccc(CNC(=O)c2nnn(Cc3nc(-c4ccc(C)cc4)oc3C)c2C)cc1 ZINC000044168646 568749144 /nfs/dbraw/zinc/74/91/44/568749144.db2.gz CDNDLRXBKIWILS-UHFFFAOYSA-N 0 0 447.564 4.559 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003560517 568750688 /nfs/dbraw/zinc/75/06/88/568750688.db2.gz NAVTYPUYDPJYFQ-OAHLLOKOSA-N 0 0 427.957 4.761 50 0 IJAARN COCCn1cc(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)c2ccccc2)c2ccccc21 ZINC000334160637 568751070 /nfs/dbraw/zinc/75/10/70/568751070.db2.gz JDYFPFCNMLKHOY-AREMUKBSSA-N 0 0 438.531 4.612 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(SC)cc4)c(=O)n3n2)cc1 ZINC000003650955 568752864 /nfs/dbraw/zinc/75/28/64/568752864.db2.gz BPNZMOFQNWMFML-HKWRFOASSA-N 0 0 437.590 4.657 50 0 IJAARN CCOC(=O)c1cnc(SC)nc1Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000003771783 568754606 /nfs/dbraw/zinc/75/46/06/568754606.db2.gz XKXDVKFGVFCAAP-UHFFFAOYSA-N 0 0 431.521 4.972 50 0 IJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)N(C)Cc4ccc(F)cc4)o3)cc2C1 ZINC000015278185 568754864 /nfs/dbraw/zinc/75/48/64/568754864.db2.gz NLRJATXKJOFSOW-ZDUSSCGKSA-N 0 0 431.558 4.813 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@H]1CCCO1 ZINC000012616002 568755067 /nfs/dbraw/zinc/75/50/67/568755067.db2.gz RYJOQZACRIBQMT-OAQYLSRUSA-N 0 0 435.593 4.749 50 0 IJAARN CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc2c([nH]1)c(OC)ccc2OC ZINC000263588007 568760837 /nfs/dbraw/zinc/76/08/37/568760837.db2.gz NWDIRJROXYWUGE-LJQANCHMSA-N 0 0 433.508 4.873 50 0 IJAARN COc1cc(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)cc(OC)c1OC ZINC000015391376 568761598 /nfs/dbraw/zinc/76/15/98/568761598.db2.gz ZJWIBYDFVMBSMR-UHFFFAOYSA-N 0 0 447.447 4.807 50 0 IJAARN COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1 ZINC000001287402 568777514 /nfs/dbraw/zinc/77/75/14/568777514.db2.gz SEHXTZMSCRUFFY-UHFFFAOYSA-N 0 0 435.520 4.913 50 0 IJAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)cc3CO2)cc1 ZINC000263619530 568778207 /nfs/dbraw/zinc/77/82/07/568778207.db2.gz ZCPLVGVOHVARMC-IBGZPJMESA-N 0 0 442.397 4.899 50 0 IJAARN COc1ccc(-n2c(=O)c3cc4c(nc3nc2SCCC(C)C)CC(C)(C)OC4)cc1 ZINC000001293974 568778625 /nfs/dbraw/zinc/77/86/25/568778625.db2.gz NWAZBVJRPRNTCW-UHFFFAOYSA-N 0 0 439.581 4.779 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004126275 568780871 /nfs/dbraw/zinc/78/08/71/568780871.db2.gz ZFDUVAYQRBLULS-UHFFFAOYSA-N 0 0 442.519 4.661 50 0 IJAARN CC(C)(C)n1cc(C(=O)c2ccccc2OC(=O)c2cccc(Br)c2)cn1 ZINC000001385066 568784219 /nfs/dbraw/zinc/78/42/19/568784219.db2.gz MAEJCJSXYLDVOM-UHFFFAOYSA-N 0 0 427.298 4.851 50 0 IJAARN COc1ccc(NC(=O)c2cnc(Sc3ncc(C(F)(F)F)cc3Cl)n2C)cc1 ZINC000001388838 568784842 /nfs/dbraw/zinc/78/48/42/568784842.db2.gz JZFFVUCWYGIVNX-UHFFFAOYSA-N 0 0 442.850 4.899 50 0 IJAARN CCOC(=O)[C@H](Cc1ccc(F)cc1)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001392732 568785328 /nfs/dbraw/zinc/78/53/28/568785328.db2.gz FYQSAHMIVCPRPU-OAHLLOKOSA-N 0 0 441.812 4.968 50 0 IJAARN CC(C)(CNS(=O)(=O)c1ccc(Br)cc1)SCc1ccc(F)cc1 ZINC000001401972 568786533 /nfs/dbraw/zinc/78/65/33/568786533.db2.gz YGQUGMRFEYICGA-UHFFFAOYSA-N 0 0 432.380 4.579 50 0 IJAARN COc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4F)c3C2=O)c1 ZINC000001405810 568786850 /nfs/dbraw/zinc/78/68/50/568786850.db2.gz CCWPLGXUUPRPTF-UHFFFAOYSA-N 0 0 426.444 4.770 50 0 IJAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002762301 568789177 /nfs/dbraw/zinc/78/91/77/568789177.db2.gz SFGGGPOCIWORKN-UHFFFAOYSA-N 0 0 431.488 4.719 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000084068069 568791136 /nfs/dbraw/zinc/79/11/36/568791136.db2.gz UKAIWPDLNYMJGV-OLZOCXBDSA-N 0 0 430.517 4.750 50 0 IJAARN CCCOc1ccccc1OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000025914414 568792765 /nfs/dbraw/zinc/79/27/65/568792765.db2.gz WAXHRNAXDFMSGH-UHFFFAOYSA-N 0 0 446.341 4.696 50 0 IJAARN CCOc1c(Br)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1Br ZINC000001421074 568792957 /nfs/dbraw/zinc/79/29/57/568792957.db2.gz QHALJUZRJPMONZ-WQLSENKSSA-N 0 0 441.075 4.548 50 0 IJAARN Cc1ccsc1[C@@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001422029 568793347 /nfs/dbraw/zinc/79/33/47/568793347.db2.gz HEFRAVIBLFBWNT-VQTJNVASSA-N 0 0 427.909 4.970 50 0 IJAARN Cc1ccc(N2C(=S)N=NC2c2cc(-c3ccc(F)cc3)n[nH]2)cc1Br ZINC000001423143 568793379 /nfs/dbraw/zinc/79/33/79/568793379.db2.gz WCGDMDHURCTXLB-UHFFFAOYSA-N 0 0 430.306 4.823 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(Cc1ccccc1)C2=O ZINC000015676525 568804104 /nfs/dbraw/zinc/80/41/04/568804104.db2.gz GUGCPBCWRGGABH-AREMUKBSSA-N 0 0 436.600 4.650 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccc(OC)cc1)CCCC3 ZINC000015680385 568806108 /nfs/dbraw/zinc/80/61/08/568806108.db2.gz JMNZNMMCRUJTOL-UHFFFAOYSA-N 0 0 426.538 4.774 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000015727918 568813078 /nfs/dbraw/zinc/81/30/78/568813078.db2.gz KVLXEXUCSZJGJA-UHFFFAOYSA-N 0 0 445.563 4.910 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1 ZINC000015733773 568815991 /nfs/dbraw/zinc/81/59/91/568815991.db2.gz GPUPUAQFMNAAPH-UHFFFAOYSA-N 0 0 440.565 4.855 50 0 IJAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccc(OC)c(OC)c2)c3=O)cc1 ZINC000001448038 568817515 /nfs/dbraw/zinc/81/75/15/568817515.db2.gz GISAUBNIOLJFGC-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN CCCc1cc2c(cc1O[C@@H](C)C(=O)OC)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001464193 568820047 /nfs/dbraw/zinc/82/00/47/568820047.db2.gz MTUWOGYJQIUGJS-HNNXBMFYSA-N 0 0 438.476 4.514 50 0 biogenic IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2c(OCc3ccccc3)ccc3ccccc32)NC(=O)N1 ZINC000001467301 568820431 /nfs/dbraw/zinc/82/04/31/568820431.db2.gz MZMNWWVJFDSNNT-XMMPIXPASA-N 0 0 430.504 4.998 50 0 IJAARN C=Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000015768090 568821849 /nfs/dbraw/zinc/82/18/49/568821849.db2.gz MQYJZCPVUVXMKZ-UHFFFAOYSA-N 0 0 430.529 4.537 50 0 IJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)c(C)c1C ZINC000013009768 568821921 /nfs/dbraw/zinc/82/19/21/568821921.db2.gz NRGZANIQXZVHJG-UHFFFAOYSA-N 0 0 434.450 4.862 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1 ZINC000026045679 568826400 /nfs/dbraw/zinc/82/64/00/568826400.db2.gz VZTYKWDSNOEKGE-UHFFFAOYSA-N 0 0 436.533 4.525 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1cc(F)ccc1F ZINC000015783800 568826541 /nfs/dbraw/zinc/82/65/41/568826541.db2.gz AYISYQQMXXNUDZ-UHFFFAOYSA-N 0 0 428.913 4.571 50 0 IJAARN COc1cc(C)c(C)cc1S(=O)(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000015784011 568826767 /nfs/dbraw/zinc/82/67/67/568826767.db2.gz IOPVEBQZAVKVRX-UHFFFAOYSA-N 0 0 436.986 4.610 50 0 IJAARN CCOc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)cc1 ZINC000085644187 568829260 /nfs/dbraw/zinc/82/92/60/568829260.db2.gz RWPWPKVCLCXEPC-UHFFFAOYSA-N 0 0 438.505 4.819 50 0 IJAARN Cc1oc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1CN1CCN(c2ccccc2)CC1 ZINC000015785903 568834206 /nfs/dbraw/zinc/83/42/06/568834206.db2.gz AHIGPIXDHSRMIA-UHFFFAOYSA-N 0 0 444.579 4.598 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)C(=O)C2CCCCC2)c1C ZINC000085711732 568835943 /nfs/dbraw/zinc/83/59/43/568835943.db2.gz XFAYPCKLZPAJKP-UHFFFAOYSA-N 0 0 440.540 4.646 50 0 IJAARN COc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000001509610 568836135 /nfs/dbraw/zinc/83/61/35/568836135.db2.gz XEKVDYQPWQVAIC-ZROIWOOFSA-N 0 0 437.087 4.565 50 0 IJAARN Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)c1cc(-c2ccccc2F)no1 ZINC000019288806 568836807 /nfs/dbraw/zinc/83/68/07/568836807.db2.gz IMUIRJXEFQTXLU-MRXNPFEDSA-N 0 0 436.409 4.991 50 0 IJAARN CCCc1c(O)c(C(C)=O)ccc1OCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068839 568843337 /nfs/dbraw/zinc/84/33/37/568843337.db2.gz LVMYAQNYIJQHOE-UHFFFAOYSA-N 0 0 445.003 4.787 50 0 IJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(OC)cc1)n2CCCC ZINC000006167888 568849296 /nfs/dbraw/zinc/84/92/96/568849296.db2.gz QXZOQJUGKXBXHZ-UHFFFAOYSA-N 0 0 429.586 4.514 50 0 IJAARN O=C(Nc1ccc(F)cc1)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000015865541 568850293 /nfs/dbraw/zinc/85/02/93/568850293.db2.gz ZULFBYFGWWNLRM-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000015880672 568854300 /nfs/dbraw/zinc/85/43/00/568854300.db2.gz NTYQISIQLMFJAU-UHFFFAOYSA-N 0 0 443.916 4.580 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCCc1ccccc1 ZINC000015880627 568854855 /nfs/dbraw/zinc/85/48/55/568854855.db2.gz FOWINBRFCXVAQH-UHFFFAOYSA-N 0 0 428.945 4.732 50 0 IJAARN Cc1c(CCNC(=O)c2ccc(F)c(F)c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015882113 568856580 /nfs/dbraw/zinc/85/65/80/568856580.db2.gz ZDNAHJWBHTVFNG-UHFFFAOYSA-N 0 0 432.883 4.670 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(s1)c(Cl)ccc2Cl ZINC000016047990 568869337 /nfs/dbraw/zinc/86/93/37/568869337.db2.gz LKWHTUQAMPZFMS-UHFFFAOYSA-N 0 0 433.313 4.545 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000016047970 568869358 /nfs/dbraw/zinc/86/93/58/568869358.db2.gz UNQTVNKSVNZDDO-UHFFFAOYSA-N 0 0 440.521 4.905 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1c(C)nn(CC(C)C)c1Cl ZINC000012948894 568871573 /nfs/dbraw/zinc/87/15/73/568871573.db2.gz LFTUWFSQTVYDDR-UHFFFAOYSA-N 0 0 435.952 4.603 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@@H](c3nccn3C)c3ccc(Cl)cc3)cs2)cc1 ZINC000016263167 568875201 /nfs/dbraw/zinc/87/52/01/568875201.db2.gz GBQNPACOWFYEMK-LJQANCHMSA-N 0 0 438.940 4.725 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000001188365 568880954 /nfs/dbraw/zinc/88/09/54/568880954.db2.gz UKZLBNIWRMNBOK-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cc2cccc(OC)c2oc1=N ZINC000006298258 568882353 /nfs/dbraw/zinc/88/23/53/568882353.db2.gz WUGXDYPNUSLDAW-UHFFFAOYSA-N 0 0 448.500 4.612 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000009444224 568883427 /nfs/dbraw/zinc/88/34/27/568883427.db2.gz VPSCYGFESWHIBK-XMMPIXPASA-N 0 0 428.488 4.637 50 0 IJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(N2C(=O)C3=CCC=C[C@H]3C2=O)s1 ZINC000669368922 568883960 /nfs/dbraw/zinc/88/39/60/568883960.db2.gz QZBLVLVEZAACBV-IAGOWNOFSA-N 0 0 439.606 4.976 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000222296445 568885029 /nfs/dbraw/zinc/88/50/29/568885029.db2.gz DSBCAVQWOQYHBC-CCDWMCETSA-N 0 0 446.522 4.723 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C ZINC000012978712 568891812 /nfs/dbraw/zinc/89/18/12/568891812.db2.gz GHSOZYQTGIJSEY-JTQLQIEISA-N 0 0 444.866 4.913 50 0 IJAARN O=c1c2cc(-c3ccccc3Cl)nn2ccn1Cc1ccc(Br)cc1F ZINC000090610201 568892107 /nfs/dbraw/zinc/89/21/07/568892107.db2.gz MVTNDKSONXUNON-UHFFFAOYSA-N 0 0 432.680 4.766 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000013109620 568892808 /nfs/dbraw/zinc/89/28/08/568892808.db2.gz LQSJQRKOOQBOCB-PKNBQFBNSA-N 0 0 442.874 4.761 50 0 IJAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(C)=O)c1 ZINC000012981666 568894670 /nfs/dbraw/zinc/89/46/70/568894670.db2.gz FSZKFQVKQJAKRL-SFHVURJKSA-N 0 0 439.364 4.686 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(NCc3ccco3)s2)cc1 ZINC000013001942 568898370 /nfs/dbraw/zinc/89/83/70/568898370.db2.gz GOUGJMPDDUALJL-CYBMUJFWSA-N 0 0 430.555 4.845 50 0 IJAARN O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000013005897 568899262 /nfs/dbraw/zinc/89/92/62/568899262.db2.gz ATEJJYBJVFNVST-SANMLTNESA-N 0 0 443.572 4.639 50 0 IJAARN Cc1cc(C)cc(NC2=C(Sc3nc(C)cc(C)n3)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000001785673 568907435 /nfs/dbraw/zinc/90/74/35/568907435.db2.gz YUKXRHRXDCIOSZ-UHFFFAOYSA-N 0 0 444.560 4.695 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3n2)cc1 ZINC000001806283 568908715 /nfs/dbraw/zinc/90/87/15/568908715.db2.gz NSYPFVMQXZACNG-PGMHBOJBSA-N 0 0 433.577 4.842 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000239339063 568911262 /nfs/dbraw/zinc/91/12/62/568911262.db2.gz LQIDFRGDSINPPB-MVERNJQCSA-N 0 0 428.488 4.527 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000245311320 568914418 /nfs/dbraw/zinc/91/44/18/568914418.db2.gz NKTVGCVHSBNONZ-RLWLMLJZSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000001850097 568916576 /nfs/dbraw/zinc/91/65/76/568916576.db2.gz VOZLUAKBPKBQGU-UHFFFAOYSA-N 0 0 431.488 4.719 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C1CC1 ZINC000064370079 568920062 /nfs/dbraw/zinc/92/00/62/568920062.db2.gz SFCWILLZJWHYCR-UHFFFAOYSA-N 0 0 436.566 4.511 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253527923 568920207 /nfs/dbraw/zinc/92/02/07/568920207.db2.gz SDHHPVPFUVQWKY-QKHSDJEFSA-N 0 0 428.569 4.938 50 0 IJAARN CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H](OC(C)=O)C[C@@]12C ZINC000253497901 568920235 /nfs/dbraw/zinc/92/02/35/568920235.db2.gz NWOUTDZVRWQQMQ-DRIQNKJGSA-N 0 0 446.584 4.949 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)c2)cc1 ZINC000001954157 568923874 /nfs/dbraw/zinc/92/38/74/568923874.db2.gz XJNSCXCLHCRWSR-UHFFFAOYSA-N 0 0 437.927 4.811 50 0 IJAARN COC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000016613631 568925768 /nfs/dbraw/zinc/92/57/68/568925768.db2.gz AVAHCQCONBPFCZ-OAQYLSRUSA-N 0 0 435.549 4.544 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000014793040 568928131 /nfs/dbraw/zinc/92/81/31/568928131.db2.gz KKFGYZAAPBNHQI-UHFFFAOYSA-N 0 0 442.471 4.988 50 0 biogenic IJAARN Cc1cc2nc(OC(C)C)c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2cc1C ZINC000064439033 568928246 /nfs/dbraw/zinc/92/82/46/568928246.db2.gz NBNABJSRKBLMGH-UHFFFAOYSA-N 0 0 438.959 4.650 50 0 IJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)NCc1ccccc1 ZINC000016653250 568929467 /nfs/dbraw/zinc/92/94/67/568929467.db2.gz CJMYERBGEZIGCK-UHFFFAOYSA-N 0 0 437.515 4.568 50 0 IJAARN COc1cccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000064473339 568930418 /nfs/dbraw/zinc/93/04/18/568930418.db2.gz XZIDLYSMTRWQJA-UHFFFAOYSA-N 0 0 435.915 4.504 50 0 IJAARN COc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1OC ZINC000006540994 568930912 /nfs/dbraw/zinc/93/09/12/568930912.db2.gz CFOSZLHNBTZKNB-UHFFFAOYSA-N 0 0 429.513 4.755 50 0 IJAARN Cn1nc(COc2ccccc2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000064565952 568932859 /nfs/dbraw/zinc/93/28/59/568932859.db2.gz CEHIVUVFWQNEPY-UHFFFAOYSA-N 0 0 430.430 4.608 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)cc3)n2)cc1 ZINC000064580037 568934313 /nfs/dbraw/zinc/93/43/13/568934313.db2.gz DETWBIMNODZRHH-UHFFFAOYSA-N 0 0 445.475 4.611 50 0 IJAARN O=c1c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2occ1-c1ccccc1 ZINC000054306997 568937396 /nfs/dbraw/zinc/93/73/96/568937396.db2.gz NAYORTRTVJRHFC-UHFFFAOYSA-N 0 0 426.516 4.661 50 0 biogenic IJAARN Cc1sc2ncnc(SCC(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)c2c1C ZINC000089565342 568937639 /nfs/dbraw/zinc/93/76/39/568937639.db2.gz WYHRJUSRUBAJTP-UHFFFAOYSA-N 0 0 434.537 4.917 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)c1 ZINC000064605916 568939799 /nfs/dbraw/zinc/93/97/99/568939799.db2.gz PCVBEFRINHPRLQ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000064668049 568943010 /nfs/dbraw/zinc/94/30/10/568943010.db2.gz WQNFQXWTZCPTBY-OAHLLOKOSA-N 0 0 431.577 4.662 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c3cccnc3sc2c1=O ZINC000064699684 568944337 /nfs/dbraw/zinc/94/43/37/568944337.db2.gz JMQGAKSIKXHBPR-UHFFFAOYSA-N 0 0 438.578 4.846 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2cccc(F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065463 568945014 /nfs/dbraw/zinc/94/50/14/568945014.db2.gz UJBYMHSRBIACTM-UHFFFAOYSA-N 0 0 435.421 4.785 50 0 IJAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069048 568945385 /nfs/dbraw/zinc/94/53/85/568945385.db2.gz MVRASVVJYLJCOD-SFHVURJKSA-N 0 0 440.975 4.742 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(-c5ccccc5)c43)c2=O)cc1 ZINC000064734267 568946757 /nfs/dbraw/zinc/94/67/57/568946757.db2.gz ZTXSJOWKSOPEOU-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083424 568947012 /nfs/dbraw/zinc/94/70/12/568947012.db2.gz BACHGDOWROKKLS-HXUWFJFHSA-N 0 0 449.334 4.976 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083690 568947388 /nfs/dbraw/zinc/94/73/88/568947388.db2.gz FBHGBOXAUJXUDC-NRFANRHFSA-N 0 0 428.916 4.549 50 0 IJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3cc(Cl)ccc3OC)n2)c1 ZINC000064747461 568949923 /nfs/dbraw/zinc/94/99/23/568949923.db2.gz BMXJWBNLDSGNMO-QGZVFWFLSA-N 0 0 428.876 4.776 50 0 IJAARN CC(C)CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000064747862 568950635 /nfs/dbraw/zinc/95/06/35/568950635.db2.gz NADPHGOISIXTRY-UHFFFAOYSA-N 0 0 436.580 4.616 50 0 IJAARN COc1ccc(-c2ccnn2-c2ccc(SCC(=O)Nc3cc(C)ccc3C)nn2)cc1 ZINC000064755333 568951148 /nfs/dbraw/zinc/95/11/48/568951148.db2.gz YDJGBYQGGJXNGB-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN O=C(NCCc1nc2cccnc2n1-c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000064761730 568953020 /nfs/dbraw/zinc/95/30/20/568953020.db2.gz FODRCOMPXSOTFL-UHFFFAOYSA-N 0 0 443.404 4.943 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(CC(C)C)C(=O)C2CCCC2)cs1 ZINC000036114907 568955245 /nfs/dbraw/zinc/95/52/45/568955245.db2.gz MHFIRBCLWUVGNJ-UHFFFAOYSA-N 0 0 432.586 4.914 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(C)C ZINC000036116101 568955611 /nfs/dbraw/zinc/95/56/11/568955611.db2.gz DJYXFYVRPKUTML-HXUWFJFHSA-N 0 0 449.016 4.862 50 0 IJAARN CCCCOC(=O)Oc1c(Br)cc2sc(=O)oc2c1Br ZINC000003652347 568956097 /nfs/dbraw/zinc/95/60/97/568956097.db2.gz DKFMOQIZOURGFN-UHFFFAOYSA-N 0 0 426.082 4.695 50 0 biogenic IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C1CCCC1 ZINC000036119424 568956108 /nfs/dbraw/zinc/95/61/08/568956108.db2.gz BZSUIGHXOHDQAG-QFIPXVFZSA-N 0 0 440.609 4.680 50 0 IJAARN CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O ZINC000064787965 568956468 /nfs/dbraw/zinc/95/64/68/568956468.db2.gz IXMLWOUPHNVEGQ-UHFFFAOYSA-N 0 0 433.533 4.809 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036119657 568956752 /nfs/dbraw/zinc/95/67/52/568956752.db2.gz YFIFWNLTSBUJTQ-QFIPXVFZSA-N 0 0 440.609 4.538 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C1CC1 ZINC000036119917 568956968 /nfs/dbraw/zinc/95/69/68/568956968.db2.gz GUNKHJIZAJEBPR-XMSQKQJNSA-N 0 0 440.609 4.598 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)C1CC1 ZINC000036119915 568956985 /nfs/dbraw/zinc/95/69/85/568956985.db2.gz GUNKHJIZAJEBPR-GCJKJVERSA-N 0 0 440.609 4.598 50 0 IJAARN COc1ccc(CN2C(=O)C[C@H](c3ccccc3F)C(C(=O)OC(C)(C)C)=C2C)cc1 ZINC000006705480 568957515 /nfs/dbraw/zinc/95/75/15/568957515.db2.gz RKUFSYLWBHXUDT-HXUWFJFHSA-N 0 0 425.500 4.966 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C ZINC000036121423 568957905 /nfs/dbraw/zinc/95/79/05/568957905.db2.gz NUOWJRUUGXANCY-DYESRHJHSA-N 0 0 446.588 4.675 50 0 IJAARN CCCc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791532 568959106 /nfs/dbraw/zinc/95/91/06/568959106.db2.gz CJRQRXOCKYEQTF-UHFFFAOYSA-N 0 0 441.539 4.509 50 0 IJAARN Cc1cc(Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791504 568959117 /nfs/dbraw/zinc/95/91/17/568959117.db2.gz PINGRVMPOJVMTI-UHFFFAOYSA-N 0 0 441.539 4.643 50 0 IJAARN COCCn1c(SCc2ccccc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064794277 568959959 /nfs/dbraw/zinc/95/99/59/568959959.db2.gz BOOLWMVDQMHWJC-UHFFFAOYSA-N 0 0 431.974 4.729 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)c(C)c1 ZINC000064801350 568961003 /nfs/dbraw/zinc/96/10/03/568961003.db2.gz PPLNIWSUQVMPDV-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@@H](C)c2cccc(OC)c2)cc1 ZINC000036148895 568962675 /nfs/dbraw/zinc/96/26/75/568962675.db2.gz WUOOIUMNDVLRBC-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)c1 ZINC000006722385 568963016 /nfs/dbraw/zinc/96/30/16/568963016.db2.gz RWNUBGCYDPYEPY-OAQYLSRUSA-N 0 0 431.621 4.681 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000064815745 568963435 /nfs/dbraw/zinc/96/34/35/568963435.db2.gz MVLAZUIMNVOVQT-VWLOTQADSA-N 0 0 448.592 4.706 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)cc1C ZINC000064815755 568963467 /nfs/dbraw/zinc/96/34/67/568963467.db2.gz FXAPVJOJJSCIEV-RUZDIDTESA-N 0 0 448.592 4.706 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036151338 568963927 /nfs/dbraw/zinc/96/39/27/568963927.db2.gz KVOREXIRGQGSGC-DEOSSOPVSA-N 0 0 433.508 4.806 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819163 568966060 /nfs/dbraw/zinc/96/60/60/568966060.db2.gz OUVHYUFWJIODPK-UHFFFAOYSA-N 0 0 429.446 4.565 50 0 IJAARN O=C(Nc1ccccc1Cl)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819138 568966074 /nfs/dbraw/zinc/96/60/74/568966074.db2.gz HEGSMUZVNNBFGY-UHFFFAOYSA-N 0 0 435.837 4.656 50 0 IJAARN O=C(Nc1ccccc1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036161616 568967593 /nfs/dbraw/zinc/96/75/93/568967593.db2.gz PWOCBVPAOCXMLH-XMMPIXPASA-N 0 0 433.508 4.806 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2cccc(C)c2)C3=O)c1 ZINC000036164501 568968028 /nfs/dbraw/zinc/96/80/28/568968028.db2.gz FGWVEQQOBLBMLH-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN Cc1ccc(CN2c3ccc(F)cc3[C@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036165242 568968205 /nfs/dbraw/zinc/96/82/05/568968205.db2.gz OFAWXRMOVNLTGO-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN CC(C)CC(=O)N1CCS[C@@]12c1cc(F)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165419 568968289 /nfs/dbraw/zinc/96/82/89/568968289.db2.gz MMXWNGLHAACSKN-JOCHJYFZSA-N 0 0 432.948 4.800 50 0 IJAARN O=C(C1CCC1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12 ZINC000036165406 568968296 /nfs/dbraw/zinc/96/82/96/568968296.db2.gz XOJMKQMPOAGMOF-JOCHJYFZSA-N 0 0 430.932 4.554 50 0 IJAARN CC(C)CC(=O)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1ccc(F)cc1)C2=O ZINC000036165511 568968319 /nfs/dbraw/zinc/96/83/19/568968319.db2.gz UJFHRVOGFOJVIL-JOCHJYFZSA-N 0 0 432.948 4.800 50 0 IJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccc(C)cc1 ZINC000036166035 568968579 /nfs/dbraw/zinc/96/85/79/568968579.db2.gz QLIJRJQCVLLLSV-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN COc1cc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000064847890 568971385 /nfs/dbraw/zinc/97/13/85/568971385.db2.gz CAPMGDPEXVRAIG-OAHLLOKOSA-N 0 0 445.947 4.876 50 0 IJAARN O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000064862052 568973884 /nfs/dbraw/zinc/97/38/84/568973884.db2.gz IAKRGJYQPGRIQV-UHFFFAOYSA-N 0 0 433.961 4.546 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)c2)c1C ZINC000064867074 568974855 /nfs/dbraw/zinc/97/48/55/568974855.db2.gz MKETVGFSCCYILI-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(OC)cc2OC)CC3)cc1 ZINC000064868023 568975463 /nfs/dbraw/zinc/97/54/63/568975463.db2.gz KGRZFNROJSSJHJ-UHFFFAOYSA-N 0 0 439.537 4.816 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccc(F)cc1 ZINC000064869576 568976142 /nfs/dbraw/zinc/97/61/42/568976142.db2.gz HWJXRONETVXYPU-IBGZPJMESA-N 0 0 427.501 4.879 50 0 IJAARN CCOC(=O)CC1=CC(S[C@H](C)C(=O)NCc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869925 568976509 /nfs/dbraw/zinc/97/65/09/568976509.db2.gz NXMBOXQBTYPBGN-OAHLLOKOSA-N 0 0 441.528 4.556 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 ZINC000064872736 568978098 /nfs/dbraw/zinc/97/80/98/568978098.db2.gz XWDUWYYIELIMKB-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](CC)N1c2ccccc2C(c2ccccc2)=NCC1=O ZINC000006769258 568980418 /nfs/dbraw/zinc/98/04/18/568980418.db2.gz GJBAJCASUZUARC-HSZRJFAPSA-N 0 0 425.532 4.850 50 0 IJAARN COc1cc(OC)cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246439 568981867 /nfs/dbraw/zinc/98/18/67/568981867.db2.gz QZRAJINSQBJFSH-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@H](C)c2ccc(F)cc2)cc1 ZINC000036247633 568982241 /nfs/dbraw/zinc/98/22/41/568982241.db2.gz AKFNIAWCEBLPPF-OAHLLOKOSA-N 0 0 429.469 4.520 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000036247744 568982408 /nfs/dbraw/zinc/98/24/08/568982408.db2.gz CYPBXQZOCSPBDU-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN COCC(=O)N(Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1ccc(F)cc1 ZINC000036249045 568983018 /nfs/dbraw/zinc/98/30/18/568983018.db2.gz ITFSIMDLFMDILM-UHFFFAOYSA-N 0 0 425.504 4.501 50 0 IJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCOC)C(=O)c1ccccc1F ZINC000036248964 568983023 /nfs/dbraw/zinc/98/30/23/568983023.db2.gz GFNHMCOLFHKOOY-UHFFFAOYSA-N 0 0 443.494 4.755 50 0 IJAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000036249478 568983572 /nfs/dbraw/zinc/98/35/72/568983572.db2.gz ULYDWUWCCBHNNC-OAQYLSRUSA-N 0 0 425.573 4.886 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000064929008 568987329 /nfs/dbraw/zinc/98/73/29/568987329.db2.gz SULWPOIQZIIJST-QHCPKHFHSA-N 0 0 444.579 4.774 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929083 568987455 /nfs/dbraw/zinc/98/74/55/568987455.db2.gz AVEOHNMVRCSSCK-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930223 568987939 /nfs/dbraw/zinc/98/79/39/568987939.db2.gz WFRQGXDIZAYHJW-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000064930514 568988856 /nfs/dbraw/zinc/98/88/56/568988856.db2.gz OURJPYBYZIHZSC-QGZVFWFLSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169681174 568991653 /nfs/dbraw/zinc/99/16/53/568991653.db2.gz YEWYECZHZPUDGK-UHFFFAOYSA-N 0 0 428.879 4.603 50 0 IJAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)NCc1ccc(Cl)cc1 ZINC000064944258 568993317 /nfs/dbraw/zinc/99/33/17/568993317.db2.gz BBCCEOODEROTMM-UHFFFAOYSA-N 0 0 448.017 4.529 50 0 IJAARN O=C(CSc1ccc(NCc2ccc(F)cc2)nn1)Nc1ccc(Br)cc1 ZINC000064945016 568993438 /nfs/dbraw/zinc/99/34/38/568993438.db2.gz JODZZQFLLSLXEN-UHFFFAOYSA-N 0 0 447.333 4.721 50 0 IJAARN CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310541 568996588 /nfs/dbraw/zinc/99/65/88/568996588.db2.gz MGMMLSPSSCTJSE-YKSBVNFPSA-N 0 0 442.648 4.681 50 0 IJAARN O=C(c1ccc(F)cc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312445 568997766 /nfs/dbraw/zinc/99/77/66/568997766.db2.gz UVFDLATXRVJPFJ-QFIPXVFZSA-N 0 0 449.526 4.902 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036313336 568998569 /nfs/dbraw/zinc/99/85/69/568998569.db2.gz UDZWKTJURWUHRS-UHFFFAOYSA-N 0 0 443.563 4.882 50 0 IJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3ccccc3Cl)cc2=O)s1 ZINC000064976835 569077290 /nfs/dbraw/zinc/07/72/90/569077290.db2.gz XTXSKIUAWRPFSN-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(C(C)C)cc4)ccc32)c1 ZINC000064977000 569077385 /nfs/dbraw/zinc/07/73/85/569077385.db2.gz STJAOUXUKDZDSG-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036341652 569079364 /nfs/dbraw/zinc/07/93/64/569079364.db2.gz CEPWPHHPKLJCHR-RUZDIDTESA-N 0 0 443.547 4.514 50 0 IJAARN CCN(C)S(=O)(=O)c1cc2c(cc1Oc1ccc(C)cc1)Oc1ccccc1NC2=O ZINC000064986852 569082358 /nfs/dbraw/zinc/08/23/58/569082358.db2.gz DMLQKKPJVGXEKA-UHFFFAOYSA-N 0 0 438.505 4.786 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(Cl)c4)cc32)cc1 ZINC000064990705 569083453 /nfs/dbraw/zinc/08/34/53/569083453.db2.gz ZQWHRTBCFBJXIQ-UHFFFAOYSA-N 0 0 435.911 4.873 50 0 IJAARN O=C(NC[C@H](O)c1ccccc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036356873 569084428 /nfs/dbraw/zinc/08/44/28/569084428.db2.gz AITDBXZSZYVUAR-DQEYMECFSA-N 0 0 440.543 4.593 50 0 IJAARN CCOc1ccccc1NC(=O)c1c2c(cn(-c3ccc(C)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000387 569085912 /nfs/dbraw/zinc/08/59/12/569085912.db2.gz GAKLFSKXDBREIB-UHFFFAOYSA-N 0 0 444.531 4.952 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)NCc4ccc(Cl)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000463 569085942 /nfs/dbraw/zinc/08/59/42/569085942.db2.gz POOQGMPUCZTHOG-UHFFFAOYSA-N 0 0 448.950 4.884 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)NC3CCCCC3)c2C1 ZINC000065000833 569086035 /nfs/dbraw/zinc/08/60/35/569086035.db2.gz HHSYRNFSIQROQF-UHFFFAOYSA-N 0 0 426.944 4.709 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000064999526 569086181 /nfs/dbraw/zinc/08/61/81/569086181.db2.gz PYJWWNUPHWBQFM-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)NCc3cccs3)c2C1 ZINC000065000901 569086190 /nfs/dbraw/zinc/08/61/90/569086190.db2.gz WHFXUWAIFWXWEF-UHFFFAOYSA-N 0 0 440.952 4.638 50 0 IJAARN CC(C)c1cc2c(nc(CSCC(=O)Nc3nc4ccccc4s3)[nH]c2=O)s1 ZINC000036360898 569086665 /nfs/dbraw/zinc/08/66/65/569086665.db2.gz RVZCQRREYIROMH-UHFFFAOYSA-N 0 0 430.580 4.590 50 0 IJAARN O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NCc1ccco1 ZINC000065005456 569087169 /nfs/dbraw/zinc/08/71/69/569087169.db2.gz UBEWDDAXEIZOFZ-UHFFFAOYSA-N 0 0 443.503 4.647 50 0 IJAARN Cc1ccc(-c2noc3nc(C)nc(OCC(=O)NCc4ccc(Cl)cc4)c32)cc1C ZINC000065024886 569089714 /nfs/dbraw/zinc/08/97/14/569089714.db2.gz AIIZUVOEQVVVNP-UHFFFAOYSA-N 0 0 436.899 4.559 50 0 IJAARN CCN(CCCNC(=O)c1cnn2c1nccc2-c1ccc(C)c(C)c1)c1ccccc1 ZINC000065026636 569089845 /nfs/dbraw/zinc/08/98/45/569089845.db2.gz ADENVPCUXKRGAY-UHFFFAOYSA-N 0 0 427.552 4.660 50 0 IJAARN CC[C@@H](C)NC(=O)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027372 569090279 /nfs/dbraw/zinc/09/02/79/569090279.db2.gz SYIGOEJFVSLUIE-CQSZACIVSA-N 0 0 427.888 4.688 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031619 569091492 /nfs/dbraw/zinc/09/14/92/569091492.db2.gz URXIPCLULWKZNY-MRXNPFEDSA-N 0 0 429.476 4.720 50 0 IJAARN CCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccco3)cc21 ZINC000065034260 569091857 /nfs/dbraw/zinc/09/18/57/569091857.db2.gz LNVKHTPEXXOWTL-UHFFFAOYSA-N 0 0 434.423 4.828 50 0 IJAARN O=C(N[C@@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1cccc(Br)c1 ZINC000169755702 569093623 /nfs/dbraw/zinc/09/36/23/569093623.db2.gz XQKQKNSSTZWMJO-QGZVFWFLSA-N 0 0 445.748 4.501 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4cccc(OC)c4)nc3)c2)cc1 ZINC000065057993 569095391 /nfs/dbraw/zinc/09/53/91/569095391.db2.gz ALMFQUHRSDYREF-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000065059060 569095967 /nfs/dbraw/zinc/09/59/67/569095967.db2.gz PGHXECZAXJSCTD-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cc2ccccc2C(=O)N1Cc1cccc(F)c1 ZINC000065075131 569099409 /nfs/dbraw/zinc/09/94/09/569099409.db2.gz MKNUWISOHAVOTN-VWLOTQADSA-N 0 0 436.914 4.753 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)c1 ZINC000065075281 569099542 /nfs/dbraw/zinc/09/95/42/569099542.db2.gz HSILATSHBNMGBJ-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)NCCC4=CCCCC4)csc3n2)cc1OC ZINC000065079388 569100814 /nfs/dbraw/zinc/10/08/14/569100814.db2.gz FPVAUROVVNFHFE-UHFFFAOYSA-N 0 0 425.554 4.629 50 0 IJAARN COc1cc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)cc(OC)c1 ZINC000065079355 569100857 /nfs/dbraw/zinc/10/08/57/569100857.db2.gz OIXZCZCXTQPDKM-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065079199 569101123 /nfs/dbraw/zinc/10/11/23/569101123.db2.gz MSNWOXPVVOEXLD-UHFFFAOYSA-N 0 0 436.968 4.608 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)sc12 ZINC000065080686 569101156 /nfs/dbraw/zinc/10/11/56/569101156.db2.gz LAWJLYYNOLGKHJ-OAHLLOKOSA-N 0 0 444.004 4.719 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)CO3)c1 ZINC000065082093 569102077 /nfs/dbraw/zinc/10/20/77/569102077.db2.gz IYANKSBNHTVMML-RDPSFJRHSA-N 0 0 442.559 4.936 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000065085475 569102893 /nfs/dbraw/zinc/10/28/93/569102893.db2.gz FMAJIKYCUACSQO-UHFFFAOYSA-N 0 0 437.926 4.504 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCC(C)CC2)n1 ZINC000065101730 569105907 /nfs/dbraw/zinc/10/59/07/569105907.db2.gz NWUCQXGAKSJJOL-UHFFFAOYSA-N 0 0 442.869 4.711 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000065102504 569106118 /nfs/dbraw/zinc/10/61/18/569106118.db2.gz HFYSOQOWAXNGQD-UHFFFAOYSA-N 0 0 436.556 4.608 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)c1 ZINC000065111589 569107662 /nfs/dbraw/zinc/10/76/62/569107662.db2.gz WZWBLFNQVGCPBG-INIZCTEOSA-N 0 0 438.915 4.758 50 0 IJAARN CCCCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CSCc1ccccc1C)N2 ZINC000006919884 569108707 /nfs/dbraw/zinc/10/87/07/569108707.db2.gz WZLPFVLMXKLLBZ-QFIPXVFZSA-N 0 0 425.598 4.971 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 ZINC000065133098 569109929 /nfs/dbraw/zinc/10/99/29/569109929.db2.gz VPQXDUAFSOZISZ-UHFFFAOYSA-N 0 0 426.929 4.676 50 0 IJAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)NCc1ccc(Cl)cc1 ZINC000065133149 569109978 /nfs/dbraw/zinc/10/99/78/569109978.db2.gz NKNOLTPUEZIZSI-UHFFFAOYSA-N 0 0 433.364 4.804 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)N1CCCCC1 ZINC000065179708 569113510 /nfs/dbraw/zinc/11/35/10/569113510.db2.gz AXEYQBUGRGGRTE-UHFFFAOYSA-N 0 0 440.971 4.897 50 0 IJAARN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000065180143 569113674 /nfs/dbraw/zinc/11/36/74/569113674.db2.gz MVYVNNMBYIMZGC-UHFFFAOYSA-N 0 0 446.469 4.529 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(C)c(C)c3)cccn12 ZINC000065185237 569114132 /nfs/dbraw/zinc/11/41/32/569114132.db2.gz HQKDKNPJVUNNAJ-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3ccc(Cl)cc3)cccn12 ZINC000065185333 569114237 /nfs/dbraw/zinc/11/42/37/569114237.db2.gz GLLZCVDZGWLGSW-UHFFFAOYSA-N 0 0 440.956 4.703 50 0 IJAARN CCOc1ccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)cc1 ZINC000065185546 569114365 /nfs/dbraw/zinc/11/43/65/569114365.db2.gz RGCDSHKHWSMXLG-UHFFFAOYSA-N 0 0 427.258 4.539 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)cc1)N1CCCCC1 ZINC000065178495 569114381 /nfs/dbraw/zinc/11/43/81/569114381.db2.gz HHUAMEWFWAHFAF-GOSISDBHSA-N 0 0 442.506 4.522 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000065178605 569114528 /nfs/dbraw/zinc/11/45/28/569114528.db2.gz VKEPRSXOIQWGIC-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN CSc1ccc(CN(C)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006978628 569114765 /nfs/dbraw/zinc/11/47/65/569114765.db2.gz SWACIUVRPUYZJL-UHFFFAOYSA-N 0 0 425.623 4.856 50 0 IJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(Br)cc1 ZINC000065194757 569114887 /nfs/dbraw/zinc/11/48/87/569114887.db2.gz IFDMPSWKGWTUEI-UHFFFAOYSA-N 0 0 429.318 4.824 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)cc1 ZINC000065201279 569116158 /nfs/dbraw/zinc/11/61/58/569116158.db2.gz ZKKFEBDDIGVPIP-KRWDZBQOSA-N 0 0 434.561 4.836 50 0 IJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000065219384 569117173 /nfs/dbraw/zinc/11/71/73/569117173.db2.gz ZIHRRPPPPDKSEA-UHFFFAOYSA-N 0 0 425.441 4.874 50 0 IJAARN CN1C(=O)C(=Cc2ccc(COc3ccc4cc(Br)ccc4c3)o2)NC1=S ZINC000036611152 569123446 /nfs/dbraw/zinc/12/34/46/569123446.db2.gz WXKOWANKWSMJRM-VCHYOVAHSA-N 0 0 443.322 4.873 50 0 IJAARN Cc1nn(C)cc1-c1nn(Cc2ccc(F)cc2Cl)c(-c2cn(C)nc2C)c1Cl ZINC000036611590 569123659 /nfs/dbraw/zinc/12/36/59/569123659.db2.gz BVEUUTZDKWLHLQ-UHFFFAOYSA-N 0 0 433.318 4.795 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(Br)cn2)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613320 569123733 /nfs/dbraw/zinc/12/37/33/569123733.db2.gz CYRHGCXXFIVWHK-UHFFFAOYSA-N 0 0 427.233 4.747 50 0 IJAARN CCn1nc(C)c(CN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c1C ZINC000036613309 569123749 /nfs/dbraw/zinc/12/37/49/569123749.db2.gz NUTLXYPVLHBFNT-UHFFFAOYSA-N 0 0 444.583 4.840 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CCCc4cc(C)ccc43)c3c(C)nn(C)c3n2)cc1 ZINC000036613496 569123835 /nfs/dbraw/zinc/12/38/35/569123835.db2.gz SLXMXYQITSANGE-UHFFFAOYSA-N 0 0 426.520 4.854 50 0 IJAARN CCn1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c1C ZINC000036613524 569123871 /nfs/dbraw/zinc/12/38/71/569123871.db2.gz UCQACSHKWSAROP-MRXNPFEDSA-N 0 0 430.556 4.751 50 0 IJAARN CCn1ncc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4ccc(OC)cc4)c32)c1C ZINC000036619059 569124549 /nfs/dbraw/zinc/12/45/49/569124549.db2.gz MASIPVTUMGGBOU-CQSZACIVSA-N 0 0 445.523 4.792 50 0 IJAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000013129009 569125261 /nfs/dbraw/zinc/12/52/61/569125261.db2.gz JKKVPQGVWUDGCR-UHFFFAOYSA-N 0 0 443.543 4.904 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000013149311 569125689 /nfs/dbraw/zinc/12/56/89/569125689.db2.gz WFOVYVDHHORCKK-UHFFFAOYSA-N 0 0 446.912 4.785 50 0 IJAARN Cc1ccc(NC(=O)CCn2c3nn(Cc4ccccc4)cc3c(C(F)F)cc2=O)cc1 ZINC000036621532 569126303 /nfs/dbraw/zinc/12/63/03/569126303.db2.gz LZQRBXHEALSLMI-UHFFFAOYSA-N 0 0 436.462 4.521 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4cccc(C)c4)CC3)sc12 ZINC000065299617 569132131 /nfs/dbraw/zinc/13/21/31/569132131.db2.gz BQWCTFJLEUKLDG-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN Cc1ccc(C(=O)Cn2nc(-c3ccccc3)c3sc(N4CCCCC4)nc3c2=O)cc1 ZINC000036685830 569132852 /nfs/dbraw/zinc/13/28/52/569132852.db2.gz SXQZKOZYLOMJJD-UHFFFAOYSA-N 0 0 444.560 4.702 50 0 IJAARN C[C@@H](NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1)c1ccc(F)cc1 ZINC000065306730 569133446 /nfs/dbraw/zinc/13/34/46/569133446.db2.gz GYDNRTKEJBJBQX-CYBMUJFWSA-N 0 0 426.492 4.922 50 0 IJAARN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000065320913 569136374 /nfs/dbraw/zinc/13/63/74/569136374.db2.gz XFPLGLHNNMWYBL-KRWDZBQOSA-N 0 0 437.443 4.590 50 0 IJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320882 569136403 /nfs/dbraw/zinc/13/64/03/569136403.db2.gz HKHXTCRHQCBVPD-FQEVSTJZSA-N 0 0 443.956 4.795 50 0 IJAARN COc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)cc1OC ZINC000065323331 569136891 /nfs/dbraw/zinc/13/68/91/569136891.db2.gz CBTYHCWHDLMDFP-UHFFFAOYSA-N 0 0 441.285 4.625 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=S)N[C@@H]1c1cccc(Cl)c1 ZINC000036785782 569137840 /nfs/dbraw/zinc/13/78/40/569137840.db2.gz KVTPHWFDJKHBOU-HXUWFJFHSA-N 0 0 427.957 4.655 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ncc(Cl)c(Cl)c3Cl)n2)o1 ZINC000036791092 569138014 /nfs/dbraw/zinc/13/80/14/569138014.db2.gz CSQMXZYFVUNKKU-UHFFFAOYSA-N 0 0 445.715 4.647 50 0 IJAARN Cc1cc(C)cc(OCC(=O)N2CCC(c3nc(-c4ccc(F)c(F)c4)c[nH]3)CC2)c1 ZINC000065529535 569139169 /nfs/dbraw/zinc/13/91/69/569139169.db2.gz ICPCXGVSYGGYCH-UHFFFAOYSA-N 0 0 425.479 4.757 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000170604643 569143527 /nfs/dbraw/zinc/14/35/27/569143527.db2.gz PXYWINOXBBDFAR-UHFFFAOYSA-N 0 0 446.907 4.778 50 0 IJAARN CN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000170609730 569144700 /nfs/dbraw/zinc/14/47/00/569144700.db2.gz JTNSKHAINFCOIW-MOPGFXCFSA-N 0 0 431.323 4.516 50 0 IJAARN Cc1ccc(C(=O)N(C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)C2CCCC2)cc1 ZINC000037282363 569145812 /nfs/dbraw/zinc/14/58/12/569145812.db2.gz SKEADFYSPUVWOI-HSZRJFAPSA-N 0 0 440.971 4.574 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccccc3F)ncn2)C[C@H]1C ZINC000037285016 569145901 /nfs/dbraw/zinc/14/59/01/569145901.db2.gz GOHKGYIBXLZWFO-QGZVFWFLSA-N 0 0 435.503 4.713 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281107 569145999 /nfs/dbraw/zinc/14/59/99/569145999.db2.gz ZBEGHVWKNYCUPR-KBMIEXCESA-N 0 0 434.580 4.563 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281105 569146051 /nfs/dbraw/zinc/14/60/51/569146051.db2.gz ZBEGHVWKNYCUPR-DFBJGRDBSA-N 0 0 434.580 4.563 50 0 IJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037281357 569146152 /nfs/dbraw/zinc/14/61/52/569146152.db2.gz BOEMCJXXJWMOCY-DHIUTWEWSA-N 0 0 440.559 4.639 50 0 IJAARN Cc1nc(COc2ccc(NC(=O)c3cc4c(cc(Br)cc4F)[nH]3)cc2)no1 ZINC000170623161 569148208 /nfs/dbraw/zinc/14/82/08/569148208.db2.gz NXTRJQUPMVALCQ-UHFFFAOYSA-N 0 0 445.248 4.592 50 0 IJAARN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000170629131 569148862 /nfs/dbraw/zinc/14/88/62/569148862.db2.gz YDNCIVMAPTWPIY-IAGOWNOFSA-N 0 0 430.474 4.956 50 0 IJAARN O=S(=O)(c1nnn2c3ccsc3c(Nc3ccccc3)nc12)c1ccc(Cl)cc1 ZINC000009908899 569150690 /nfs/dbraw/zinc/15/06/90/569150690.db2.gz SBLPVIPBNOXNRB-UHFFFAOYSA-N 0 0 441.925 4.569 50 0 IJAARN CC(C)Cn1ccc2c1cccc2NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000071286256 569150926 /nfs/dbraw/zinc/15/09/26/569150926.db2.gz SMJSYFXHNGDIQI-UHFFFAOYSA-N 0 0 434.927 4.813 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)c1cccs1 ZINC000010024392 569151480 /nfs/dbraw/zinc/15/14/80/569151480.db2.gz FBMGATDOEVNNBC-UHFFFAOYSA-N 0 0 428.560 4.625 50 0 IJAARN COc1cc(CCC2CCN(Cc3nc(-c4ccccc4OC)no3)CC2)cc(OC)c1 ZINC000010027499 569151821 /nfs/dbraw/zinc/15/18/21/569151821.db2.gz NXKOBIHSYRSAEP-UHFFFAOYSA-N 0 0 437.540 4.607 50 0 IJAARN CN1C(=O)Cc2cc(C(=O)CSc3ncnc4sc(-c5ccccc5)cc43)ccc21 ZINC000010029246 569151938 /nfs/dbraw/zinc/15/19/38/569151938.db2.gz VNALCZIWLZDEEC-UHFFFAOYSA-N 0 0 431.542 4.852 50 0 IJAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000010059155 569152061 /nfs/dbraw/zinc/15/20/61/569152061.db2.gz XMJLDPFAZQEKNQ-HHHXNRCGSA-N 0 0 443.499 4.546 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000010059763 569152336 /nfs/dbraw/zinc/15/23/36/569152336.db2.gz SZTCZLOTYUKDDR-YADHBBJMSA-N 0 0 440.503 4.677 50 0 IJAARN O=c1/c(=C/c2cccc(Oc3ccccc3)c2)sc2nnc(-c3ccccc3Cl)n12 ZINC000010060222 569152424 /nfs/dbraw/zinc/15/24/24/569152424.db2.gz NOSPUKJMJSDPHU-ZHZULCJRSA-N 0 0 431.904 4.811 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl ZINC000010220421 569152933 /nfs/dbraw/zinc/15/29/33/569152933.db2.gz DRUKTNNGGZSZJK-UHFFFAOYSA-N 0 0 449.898 4.602 50 0 IJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000010499873 569154799 /nfs/dbraw/zinc/15/47/99/569154799.db2.gz HCZKXUXNYLFQBP-UHFFFAOYSA-N 0 0 433.455 4.918 50 0 IJAARN COc1ccccc1N(Cc1cc(-c2cccs2)on1)S(=O)(=O)c1cccs1 ZINC000014302100 569158536 /nfs/dbraw/zinc/15/85/36/569158536.db2.gz WKYTVMONUCVTAJ-UHFFFAOYSA-N 0 0 432.548 4.869 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1I)c1ccc(Br)cc1 ZINC000014391449 569159031 /nfs/dbraw/zinc/15/90/31/569159031.db2.gz NZSHAERJIDVGNC-SNVBAGLBSA-N 0 0 430.083 4.545 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609900 569159486 /nfs/dbraw/zinc/15/94/86/569159486.db2.gz WXBMHIRRIANFBC-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2cccc(Cl)c2)cc1 ZINC000014609992 569159495 /nfs/dbraw/zinc/15/94/95/569159495.db2.gz YJTAGOFMNVDSOR-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)c(OC)c1 ZINC000014609481 569159501 /nfs/dbraw/zinc/15/95/01/569159501.db2.gz CIHFXHXFMAMSJY-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN Cc1csc(C2(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)CCCC2)n1 ZINC000089705448 569161913 /nfs/dbraw/zinc/16/19/13/569161913.db2.gz PBIYLBYLDNNLMH-IYBDPMFKSA-N 0 0 432.565 4.795 50 0 IJAARN O=c1c2sccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1 ZINC000016843042 569163581 /nfs/dbraw/zinc/16/35/81/569163581.db2.gz OLFNSMCDCUYZPX-UHFFFAOYSA-N 0 0 436.493 4.929 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000016846519 569163919 /nfs/dbraw/zinc/16/39/19/569163919.db2.gz OLNZUEWMDCIGNO-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN COc1ccccc1CNC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000016849199 569164512 /nfs/dbraw/zinc/16/45/12/569164512.db2.gz ZQOBEPVYQAKZQI-UHFFFAOYSA-N 0 0 444.944 4.698 50 0 IJAARN C[C@@H](NC(=O)c1cccs1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891344 569165736 /nfs/dbraw/zinc/16/57/36/569165736.db2.gz ZMJSYKCAJITWCN-IIBYNOLFSA-N 0 0 429.586 4.631 50 0 IJAARN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCCCC[C@H]1c1ccncc1 ZINC000089847933 569165864 /nfs/dbraw/zinc/16/58/64/569165864.db2.gz HVMYQPJJNNAAJS-KRWDZBQOSA-N 0 0 425.330 4.992 50 0 IJAARN O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccccc1-c1ccccc1 ZINC000089851211 569166172 /nfs/dbraw/zinc/16/61/72/569166172.db2.gz OLNIGDGEYFCITA-UHFFFAOYSA-N 0 0 426.266 4.617 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1oc2ccccc2c1C ZINC000014700358 569166679 /nfs/dbraw/zinc/16/66/79/569166679.db2.gz FGLPSDVBRFKVTK-UHFFFAOYSA-N 0 0 442.537 4.567 50 0 IJAARN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000089893911 569166931 /nfs/dbraw/zinc/16/69/31/569166931.db2.gz LJDQVSYISNZMAB-OAQYLSRUSA-N 0 0 425.326 4.533 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 ZINC000089969086 569169474 /nfs/dbraw/zinc/16/94/74/569169474.db2.gz DFQULYUERXCYNL-MRXNPFEDSA-N 0 0 439.581 4.576 50 0 IJAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)[C@@H](C)C3)ncn2)c1 ZINC000037356019 569171236 /nfs/dbraw/zinc/17/12/36/569171236.db2.gz ZKZVHJCEHQZOJI-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN O=C(c1cc(F)ccc1F)N1CCCN(C(=O)c2cc(F)ccc2F)c2ccccc21 ZINC000170633426 569172863 /nfs/dbraw/zinc/17/28/63/569172863.db2.gz CUQXCXXVJAOVQP-UHFFFAOYSA-N 0 0 428.385 4.940 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccn1)nc2-c1ccc(Cl)cc1 ZINC000037358560 569176116 /nfs/dbraw/zinc/17/61/16/569176116.db2.gz UIJFYUMTUNJQAU-UHFFFAOYSA-N 0 0 441.926 4.784 50 0 IJAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 ZINC000001063717 569176556 /nfs/dbraw/zinc/17/65/56/569176556.db2.gz KONQFIZPVMWACN-UHFFFAOYSA-N 0 0 444.818 4.519 50 0 IJAARN C[C@H]1CN(C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C[C@@H](c2ccccc2)O1 ZINC000170638260 569178536 /nfs/dbraw/zinc/17/85/36/569178536.db2.gz IOALYDHLWDOGPW-YWZLYKJASA-N 0 0 430.430 4.885 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NC(=O)OCc3ccccc3)ccc12 ZINC000002093531 569178957 /nfs/dbraw/zinc/17/89/57/569178957.db2.gz BLBZKRVJIUMZCQ-HXUWFJFHSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(CC)c12 ZINC000002093388 569178964 /nfs/dbraw/zinc/17/89/64/569178964.db2.gz ZNXRHEJLMOYWPB-IBGZPJMESA-N 0 0 437.492 4.664 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002100281 569179685 /nfs/dbraw/zinc/17/96/85/569179685.db2.gz PBYXTSJTPXMCFP-DEOSSOPVSA-N 0 0 425.484 4.898 50 0 biogenic IJAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000000623012 569180355 /nfs/dbraw/zinc/18/03/55/569180355.db2.gz OGWXVJWMIHRRFB-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN COc1ccc(-n2nc3nc(NC4CCCC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000037359954 569181428 /nfs/dbraw/zinc/18/14/28/569181428.db2.gz DWRLHMMMYJLESQ-UHFFFAOYSA-N 0 0 436.466 4.706 50 0 IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1ccccc1)nc2-c1cccc(F)c1 ZINC000037359768 569181485 /nfs/dbraw/zinc/18/14/85/569181485.db2.gz GQTPJUUDPWFWIV-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4cccc(C)c4)N3C2=O)cc1 ZINC000002119621 569182798 /nfs/dbraw/zinc/18/27/98/569182798.db2.gz SKPJULCXIVISIG-UKILVPOCSA-N 0 0 437.499 4.968 50 0 biogenic IJAARN CCCCC(=O)c1ccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002130533 569184916 /nfs/dbraw/zinc/18/49/16/569184916.db2.gz FDSAPANDAZILLM-UHFFFAOYSA-N 0 0 434.492 4.649 50 0 biogenic IJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000916216 569185325 /nfs/dbraw/zinc/18/53/25/569185325.db2.gz FUJKKPYWUQUBFQ-UHFFFAOYSA-N 0 0 444.560 4.945 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccn1 ZINC000002220821 569185730 /nfs/dbraw/zinc/18/57/30/569185730.db2.gz QHGKXTCPSGFDQE-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000252477958 569186033 /nfs/dbraw/zinc/18/60/33/569186033.db2.gz YOAXKCCPGHNSNS-TXCZRRACSA-N 0 0 426.479 4.713 50 0 IJAARN COc1ccccc1Oc1coc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c1=O ZINC000002155285 569187479 /nfs/dbraw/zinc/18/74/79/569187479.db2.gz YXYOAHCJUGXGEP-UHFFFAOYSA-N 0 0 432.384 4.542 50 0 biogenic IJAARN CCOC(=O)C1=C(C)N(CC)[C@]2(c3cc4ccccc4oc3=O)C[C@H]1c1ccccc1O2 ZINC000002156716 569187572 /nfs/dbraw/zinc/18/75/72/569187572.db2.gz JDIQAODXQMUJOO-AFMDSPMNSA-N 0 0 431.488 4.685 50 0 biogenic IJAARN COCCn1ccc2ccc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)cc21 ZINC000252509546 569188403 /nfs/dbraw/zinc/18/84/03/569188403.db2.gz YQEPZOFLSNZQGP-XMMPIXPASA-N 0 0 438.531 4.878 50 0 IJAARN CC(C)[C@H](CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000252571556 569191173 /nfs/dbraw/zinc/19/11/73/569191173.db2.gz YGDXEJHDGFFAEW-GHTZIAJQSA-N 0 0 441.959 4.766 50 0 IJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000037385363 569192397 /nfs/dbraw/zinc/19/23/97/569192397.db2.gz AFUTZPKMSQHXGQ-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000002206946 569193535 /nfs/dbraw/zinc/19/35/35/569193535.db2.gz FIOFKPHCNSFDDC-HSZRJFAPSA-N 0 0 437.492 4.520 50 0 IJAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(Oc3ccc(C)cc3)cc1)CC2 ZINC000002208796 569194065 /nfs/dbraw/zinc/19/40/65/569194065.db2.gz JQXGSSGMPSTIDS-UHFFFAOYSA-N 0 0 432.520 4.801 50 0 IJAARN CCC(=O)N1CCN(Cc2c(-c3ccccc3)nc3sc4cc(Cl)ccc4n23)CC1 ZINC000037399702 569194667 /nfs/dbraw/zinc/19/46/67/569194667.db2.gz WLJMJSGEHPLIKC-UHFFFAOYSA-N 0 0 438.984 4.924 50 0 IJAARN O=C(c1ccccc1F)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000037400071 569194800 /nfs/dbraw/zinc/19/48/00/569194800.db2.gz FFHSEBYCPHQMGG-UHFFFAOYSA-N 0 0 443.471 4.537 50 0 IJAARN O=C(c1cccc(F)c1)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000037400650 569195041 /nfs/dbraw/zinc/19/50/41/569195041.db2.gz KIMOWFMRSUOENX-UHFFFAOYSA-N 0 0 443.471 4.537 50 0 IJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](COc3ccc4oc(=O)ccc4c3)[C@@](C)(O)CC[C@@H]2C1(C)C ZINC000252609569 569195312 /nfs/dbraw/zinc/19/53/12/569195312.db2.gz HUXDDEPCFQSICR-KWLALQDESA-N 0 0 442.552 4.707 50 0 IJAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(C(=O)c1ccccc1Cl)C(C)C ZINC000037421870 569195591 /nfs/dbraw/zinc/19/55/91/569195591.db2.gz VZXKTFFPXSZSLT-UHFFFAOYSA-N 0 0 430.353 4.773 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664633 569197186 /nfs/dbraw/zinc/19/71/86/569197186.db2.gz MNWKOVXZYAPSDN-CPJSRVTESA-N 0 0 425.536 4.915 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000037443315 569197200 /nfs/dbraw/zinc/19/72/00/569197200.db2.gz RMCNNJWRWDIFHW-ZOIIRCJOSA-N 0 0 447.579 4.777 50 0 IJAARN C[C@@H](OC(C)(C)C)[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000195568259 569204352 /nfs/dbraw/zinc/20/43/52/569204352.db2.gz LNMFVVSPTMXWJC-JKIFEVAISA-N 0 0 430.010 4.851 50 0 IJAARN C[C@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037522767 569198443 /nfs/dbraw/zinc/19/84/43/569198443.db2.gz MVTHTXIUDYDSHO-NSHDSACASA-N 0 0 442.140 4.633 50 0 IJAARN O=C(NCc1cccnc1)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000037541599 569199327 /nfs/dbraw/zinc/19/93/27/569199327.db2.gz HQDDWEPUDKNQOD-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cc3)C2=O)cc1 ZINC000037544656 569199623 /nfs/dbraw/zinc/19/96/23/569199623.db2.gz DNUHEBLTVWLXPN-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC1CC1 ZINC000037547023 569199854 /nfs/dbraw/zinc/19/98/54/569199854.db2.gz KXJQYFRNJJLZLG-UHFFFAOYSA-N 0 0 429.442 4.849 50 0 IJAARN Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCCc3ccccc3)cc2)cc1 ZINC000037556793 569200690 /nfs/dbraw/zinc/20/06/90/569200690.db2.gz UGQOKRFRVSFWFX-UHFFFAOYSA-N 0 0 426.560 4.840 50 0 IJAARN Cc1ccc([C@H]2c3cc(OCC(=O)Nc4ccccc4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037601366 569202378 /nfs/dbraw/zinc/20/23/78/569202378.db2.gz CVZCTSUPRKHHOT-MHZLTWQESA-N 0 0 440.543 4.897 50 0 IJAARN Cc1ccc([C@@H]2c3cc(OCC(=O)NCC(C)C)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037602375 569202397 /nfs/dbraw/zinc/20/23/97/569202397.db2.gz BPVUJJFVHSAGAT-HHHXNRCGSA-N 0 0 436.596 4.666 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NCC(C)C)cc2[C@H]1c1ccc(C)cc1 ZINC000037602830 569202493 /nfs/dbraw/zinc/20/24/93/569202493.db2.gz MEXHMGMQNIRZQM-AOYPEHQESA-N 0 0 436.596 4.809 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2)c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000002221712 569204582 /nfs/dbraw/zinc/20/45/82/569204582.db2.gz TYBWYWDFWOCDLX-UHFFFAOYSA-N 0 0 426.900 4.543 50 0 IJAARN CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccc(Cl)cc3)c1)CC(=O)N2 ZINC000066091364 569205756 /nfs/dbraw/zinc/20/57/56/569205756.db2.gz QPWVWHDURMBFJB-OAHLLOKOSA-N 0 0 429.929 4.900 50 0 IJAARN Cc1cc2c(nc3sc(=Cc4ccc(C(C)C)cc4)c(=O)n23)c(Br)c1C ZINC000252669230 569209784 /nfs/dbraw/zinc/20/97/84/569209784.db2.gz GXQVDDZDTOFAQZ-UHFFFAOYSA-N 0 0 427.367 4.960 50 0 IJAARN Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(=NC(=O)c3ccccc3)s2)cc1 ZINC000252672733 569210145 /nfs/dbraw/zinc/21/01/45/569210145.db2.gz QKYHFXAOSBGDDO-UHFFFAOYSA-N 0 0 433.920 4.868 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 ZINC000002625503 569211319 /nfs/dbraw/zinc/21/13/19/569211319.db2.gz WINXFFBHDLHBHU-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN Cc1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000002258982 569215509 /nfs/dbraw/zinc/21/55/09/569215509.db2.gz UXNZPEAKNNMPNK-UHFFFAOYSA-N 0 0 444.607 4.617 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528404 569263599 /nfs/dbraw/zinc/26/35/99/569263599.db2.gz QPJLZAQMZOCMES-UHFFFAOYSA-N 0 0 446.334 4.900 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000027528471 569263749 /nfs/dbraw/zinc/26/37/49/569263749.db2.gz FXWVIPOVCLJCEI-SDNWHVSQSA-N 0 0 431.879 4.509 50 0 IJAARN CSc1cc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c(Cl)cc1Cl ZINC000253429829 569267524 /nfs/dbraw/zinc/26/75/24/569267524.db2.gz IMSDCOQROBCARE-UHFFFAOYSA-N 0 0 435.279 4.710 50 0 IJAARN NS(=O)(=O)c1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Cl ZINC000253429971 569267544 /nfs/dbraw/zinc/26/75/44/569267544.db2.gz PIGPCXWAGAXPSE-UHFFFAOYSA-N 0 0 432.773 4.637 50 0 IJAARN O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Br)c1 ZINC000002322561 569274136 /nfs/dbraw/zinc/27/41/36/569274136.db2.gz YODSCAZJCDAMFG-UHFFFAOYSA-N 0 0 429.314 4.634 50 0 IJAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002341539 569275154 /nfs/dbraw/zinc/27/51/54/569275154.db2.gz GVNYENBYKZCONU-UHFFFAOYSA-N 0 0 445.885 4.878 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1C ZINC000002369755 569288847 /nfs/dbraw/zinc/28/88/47/569288847.db2.gz ZMDYPSUZXWHNQQ-UHFFFAOYSA-N 0 0 427.533 4.764 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cc(-c3nnc4c5ccccc5c(C)nn34)ccc2C)cc1 ZINC000002375191 569289320 /nfs/dbraw/zinc/28/93/20/569289320.db2.gz ABZIUENUZWFVIB-UHFFFAOYSA-N 0 0 437.503 4.887 50 0 IJAARN COc1ccccc1Cn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000002379487 569290080 /nfs/dbraw/zinc/29/00/80/569290080.db2.gz DAAIDBLIBTYIMR-UHFFFAOYSA-N 0 0 430.508 4.713 50 0 IJAARN CC[C@H](C)COC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002383493 569293953 /nfs/dbraw/zinc/29/39/53/569293953.db2.gz RWWVNVYXZDYCGF-INIZCTEOSA-N 0 0 432.524 4.621 50 0 IJAARN Cc1ccccc1-c1nc2s/c(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)n2n1 ZINC000002383587 569293955 /nfs/dbraw/zinc/29/39/55/569293955.db2.gz LWFZRWQYPGFDKR-ZHZULCJRSA-N 0 0 447.604 4.975 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccco3)c(=O)c2c1C ZINC000002393756 569298099 /nfs/dbraw/zinc/29/80/99/569298099.db2.gz QNGBXTQFSZWDEF-UHFFFAOYSA-N 0 0 443.525 4.586 50 0 IJAARN CSc1nc(C)cc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1 ZINC000002397057 569298535 /nfs/dbraw/zinc/29/85/35/569298535.db2.gz XCUXWCKTSKWPTM-UHFFFAOYSA-N 0 0 439.324 4.854 50 0 IJAARN CCc1ccccc1OCCOCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000002399738 569298928 /nfs/dbraw/zinc/29/89/28/569298928.db2.gz UUMMVWKBWVLGBX-UHFFFAOYSA-N 0 0 444.531 4.730 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002400098 569299198 /nfs/dbraw/zinc/29/91/98/569299198.db2.gz PJNJORAXVUOWAG-QHCPKHFHSA-N 0 0 429.447 4.729 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@@H]1CCCO1 ZINC000002405552 569300090 /nfs/dbraw/zinc/30/00/90/569300090.db2.gz KJQNSHVGRNBSCR-KXBFYZLASA-N 0 0 430.287 4.824 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[C@@H]1CCCO1 ZINC000002405553 569300139 /nfs/dbraw/zinc/30/01/39/569300139.db2.gz KJQNSHVGRNBSCR-HNAYVOBHSA-N 0 0 430.287 4.824 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000002407112 569300280 /nfs/dbraw/zinc/30/02/80/569300280.db2.gz APWJWTNHIYERST-IBGZPJMESA-N 0 0 449.558 4.966 50 0 IJAARN C[C@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002434342 569303642 /nfs/dbraw/zinc/30/36/42/569303642.db2.gz QKZSCYVFHMBUHP-OAHLLOKOSA-N 0 0 446.507 4.748 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1 ZINC000002435049 569303690 /nfs/dbraw/zinc/30/36/90/569303690.db2.gz DEGWBUNZCBSGPX-HXUWFJFHSA-N 0 0 447.516 4.601 50 0 IJAARN COc1ccc(C(=O)[C@H]2O[C@H]2c2ccc3c(c2)OCCCO3)c(OCc2ccccc2)c1 ZINC000002436924 569303831 /nfs/dbraw/zinc/30/38/31/569303831.db2.gz LCZGXRQMRWGKLA-IZZNHLLZSA-N 0 0 432.472 4.758 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@@H](O)c1ccccc1 ZINC000002437889 569303879 /nfs/dbraw/zinc/30/38/79/569303879.db2.gz XBLBGMOYGZUDLH-DENIHFKCSA-N 0 0 449.865 4.864 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000002450461 569304991 /nfs/dbraw/zinc/30/49/91/569304991.db2.gz ORBCPEGGOUMJMM-UHFFFAOYSA-N 0 0 439.928 4.517 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000013009917 569306689 /nfs/dbraw/zinc/30/66/89/569306689.db2.gz XQMRBCUGBOBFSD-UHFFFAOYSA-N 0 0 443.511 4.984 50 0 IJAARN CCCCC1CCC(C(=O)Nc2cc(=O)n(-c3ccc(C)cc3)nc2C(=O)OCC)CC1 ZINC000013010267 569306701 /nfs/dbraw/zinc/30/67/01/569306701.db2.gz WBYNNKLHJMWRJZ-UHFFFAOYSA-N 0 0 439.556 4.653 50 0 IJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000013038706 569307745 /nfs/dbraw/zinc/30/77/45/569307745.db2.gz HCYROJPKKXXKCI-UHFFFAOYSA-N 0 0 448.272 4.700 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 ZINC000013114805 569310805 /nfs/dbraw/zinc/31/08/05/569310805.db2.gz FOXXKDQEQVSHRN-HXUWFJFHSA-N 0 0 434.521 4.946 50 0 IJAARN Fc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@@H]2CCCO2)cc1 ZINC000013121555 569311092 /nfs/dbraw/zinc/31/10/92/569311092.db2.gz OZJZXOTVDWDDIH-KRWDZBQOSA-N 0 0 426.473 4.804 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(C)c2)cc1 ZINC000013125981 569311135 /nfs/dbraw/zinc/31/11/35/569311135.db2.gz DHQRTSDUKZHZAY-DEOSSOPVSA-N 0 0 428.488 4.538 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)CCC1CCCCC1)C[C@@H](C)CC2 ZINC000013148977 569312159 /nfs/dbraw/zinc/31/21/59/569312159.db2.gz YNZIVQXUGKPZCD-HNNXBMFYSA-N 0 0 435.586 4.892 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013149533 569312286 /nfs/dbraw/zinc/31/22/86/569312286.db2.gz CXWBSRGLSQBSIL-UHFFFAOYSA-N 0 0 435.863 4.569 50 0 IJAARN O=C(Cc1ccc(F)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456358 569312591 /nfs/dbraw/zinc/31/25/91/569312591.db2.gz QDXSMWPYRBMATQ-QHCPKHFHSA-N 0 0 426.850 4.731 50 0 IJAARN O=C(Cc1ccc(F)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002456355 569312636 /nfs/dbraw/zinc/31/26/36/569312636.db2.gz QDXSMWPYRBMATQ-HSZRJFAPSA-N 0 0 426.850 4.731 50 0 IJAARN O=C(c1cccc(F)c1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456571 569312963 /nfs/dbraw/zinc/31/29/63/569312963.db2.gz QVPXKRROIDDHKD-OAQYLSRUSA-N 0 0 439.284 4.772 50 0 IJAARN CCCCOc1ccc(CNC(=O)CN2c3cc(CC(C)C)sc3SCC2=O)cc1 ZINC000013358723 569313773 /nfs/dbraw/zinc/31/37/73/569313773.db2.gz KXLYKWZFRKRKDV-UHFFFAOYSA-N 0 0 446.638 4.881 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(F)c3)nn2[C@@H]1c1ccc(F)cc1 ZINC000013363395 569314139 /nfs/dbraw/zinc/31/41/39/569314139.db2.gz XLTFZLMOPYANJV-LJQANCHMSA-N 0 0 442.491 4.701 50 0 IJAARN O=C(Nc1ccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1)C1CCCCC1 ZINC000013368438 569314561 /nfs/dbraw/zinc/31/45/61/569314561.db2.gz CKBOEQMZQNXSMF-UHFFFAOYSA-N 0 0 437.565 4.733 50 0 IJAARN CCCCc1nn2c(nc(COc3cccc(NC(=O)c4ccccc4C)c3)cc2=O)s1 ZINC000013368262 569314605 /nfs/dbraw/zinc/31/46/05/569314605.db2.gz NKTHPESEIOOGRR-UHFFFAOYSA-N 0 0 448.548 4.633 50 0 IJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccc(OC)c(OC)c1 ZINC000013369997 569314833 /nfs/dbraw/zinc/31/48/33/569314833.db2.gz NBEGKDVVLFMBPZ-MOPGFXCFSA-N 0 0 438.572 4.736 50 0 biogenic IJAARN O=C(OCC1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000013397123 569315305 /nfs/dbraw/zinc/31/53/05/569315305.db2.gz ZOCRWZUZPJLZHJ-CQSZACIVSA-N 0 0 448.228 4.821 50 0 IJAARN O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCCCCC1 ZINC000002461725 569316219 /nfs/dbraw/zinc/31/62/19/569316219.db2.gz UADXFGMNFDZKPQ-UHFFFAOYSA-N 0 0 444.984 4.519 50 0 IJAARN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000078974407 569321104 /nfs/dbraw/zinc/32/11/04/569321104.db2.gz UCEXSKLXQPTKLT-FZEVHQGJSA-N 0 0 444.597 4.577 50 0 IJAARN CC(C)(C(=O)NCCc1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 ZINC000078975612 569321110 /nfs/dbraw/zinc/32/11/10/569321110.db2.gz MXURCTMUIGKPGE-UHFFFAOYSA-N 0 0 430.371 4.604 50 0 IJAARN CC(C)c1noc(CCC(=O)N2C[C@@H](C)CN(C(=O)OC(C)(C)C)c3ccccc32)n1 ZINC000078985869 569321384 /nfs/dbraw/zinc/32/13/84/569321384.db2.gz CXVGKDZJNBREGT-MRXNPFEDSA-N 0 0 428.533 4.550 50 0 IJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000078989265 569321409 /nfs/dbraw/zinc/32/14/09/569321409.db2.gz NFDIALRFQVCZOP-HNNXBMFYSA-N 0 0 440.361 4.878 50 0 IJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078996270 569321760 /nfs/dbraw/zinc/32/17/60/569321760.db2.gz XQFCLUDGTTZVHK-ROUUACIJSA-N 0 0 442.575 4.729 50 0 IJAARN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000079015189 569321984 /nfs/dbraw/zinc/32/19/84/569321984.db2.gz JQKZUZKOWJICLJ-FYYLOGMGSA-N 0 0 444.547 4.997 50 0 IJAARN COc1cccc([C@@H](C)N(CC(=O)Nc2ccccc2C(F)(F)F)c2cnn(C)c2)c1 ZINC000079014752 569322000 /nfs/dbraw/zinc/32/20/00/569322000.db2.gz YRGQISLQRVDPMH-OAHLLOKOSA-N 0 0 432.446 4.654 50 0 IJAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)c4cccc(Br)c4)n3)cc2NC1=O ZINC000019796552 569329521 /nfs/dbraw/zinc/32/95/21/569329521.db2.gz BYMZSVBTEQHHIV-SNVBAGLBSA-N 0 0 444.310 4.544 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cc(C)cc(C)c1 ZINC000020032808 569332650 /nfs/dbraw/zinc/33/26/50/569332650.db2.gz HQOPMOKANRYUOH-HSZRJFAPSA-N 0 0 431.561 4.897 50 0 IJAARN COc1ccc2nc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)sc2c1 ZINC000020115859 569335023 /nfs/dbraw/zinc/33/50/23/569335023.db2.gz CPENIRGGFSOOQZ-WOJBJXKFSA-N 0 0 449.557 4.916 50 0 IJAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3c(F)cccc3Cl)c2=O)c1 ZINC000020151696 569336538 /nfs/dbraw/zinc/33/65/38/569336538.db2.gz BLOJGXVKXJTZFE-UHFFFAOYSA-N 0 0 444.915 4.680 50 0 IJAARN COc1ccc2nc3sc(C(=O)N4CCN(c5ccc(C(C)=O)cc5)CC4)cc3cc2c1 ZINC000020178824 569354652 /nfs/dbraw/zinc/35/46/52/569354652.db2.gz NIRYXRLTOMYOKD-UHFFFAOYSA-N 0 0 445.544 4.623 50 0 IJAARN CN1C(=O)/C(=C/c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)Oc2ccccc21 ZINC000020179378 569354730 /nfs/dbraw/zinc/35/47/30/569354730.db2.gz PAVYGUZNWBQLGT-KQWNVCNZSA-N 0 0 432.907 4.709 50 0 IJAARN CCc1ccc(-c2nc(CSCC(=O)N3CCN(Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020241258 569357901 /nfs/dbraw/zinc/35/79/01/569357901.db2.gz AEIBBNYEWBJRQX-UHFFFAOYSA-N 0 0 449.620 4.790 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000095348892 569361685 /nfs/dbraw/zinc/36/16/85/569361685.db2.gz WVAJXSAWWUEJHI-FYYLOGMGSA-N 0 0 432.545 4.794 50 0 IJAARN CCCc1ccc(-c2nc(NC(=O)C3CCN(Cc4nccn4C)CC3)sc2C)cc1 ZINC000095352898 569362137 /nfs/dbraw/zinc/36/21/37/569362137.db2.gz YMASKELWZHNZDT-UHFFFAOYSA-N 0 0 437.613 4.655 50 0 IJAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC[C@@H](C)C3)c2c1 ZINC000020381554 569362671 /nfs/dbraw/zinc/36/26/71/569362671.db2.gz JIAXTVOTLIYPRM-OAHLLOKOSA-N 0 0 430.957 4.966 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCC(C)CC3)cc2)cc1 ZINC000020414719 569364285 /nfs/dbraw/zinc/36/42/85/569364285.db2.gz AXVSPPOZUDDNJF-UHFFFAOYSA-N 0 0 445.563 4.507 50 0 IJAARN COc1ccc(OC)c(CC[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])c1 ZINC000020415584 569364427 /nfs/dbraw/zinc/36/44/27/569364427.db2.gz UTGCFKSYDZVOQT-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN COc1ccc(C)cc1NC(=O)COc1c(Cl)cc(Br)cc1C(C)=O ZINC000095428479 569366102 /nfs/dbraw/zinc/36/61/02/569366102.db2.gz IVNGGTRSFJHRKK-UHFFFAOYSA-N 0 0 426.694 4.640 50 0 IJAARN O=C(NCCc1csc(-c2ccccc2Cl)n1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000095443906 569366879 /nfs/dbraw/zinc/36/68/79/569366879.db2.gz SVGYZGBZAPFOMH-ROUUACIJSA-N 0 0 446.016 4.551 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)CSCc3coc(-c4ccccc4)n3)cc2Cl)n[nH]1 ZINC000095463303 569370231 /nfs/dbraw/zinc/37/02/31/569370231.db2.gz HAPIWILHMMDOBR-UHFFFAOYSA-N 0 0 439.928 4.960 50 0 IJAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3)o2)no1)Nc1cccc(Cl)c1 ZINC000095481935 569374160 /nfs/dbraw/zinc/37/41/60/569374160.db2.gz HHHORWPYPQXZHY-UHFFFAOYSA-N 0 0 441.900 4.637 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc2F)c1 ZINC000020677242 569374949 /nfs/dbraw/zinc/37/49/49/569374949.db2.gz KIGYZTLKBWHGPI-LUQKVYGDSA-N 0 0 432.561 4.798 50 0 IJAARN O=C(Nc1cc(Br)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000095945953 569375963 /nfs/dbraw/zinc/37/59/63/569375963.db2.gz YEOXYGSLCWYNFE-UHFFFAOYSA-N 0 0 426.295 4.666 50 0 IJAARN O=C(c1ccco1)N1CCC(Nc2ccc3c(Br)ccc(Cl)c3n2)CC1 ZINC000095986609 569378004 /nfs/dbraw/zinc/37/80/04/569378004.db2.gz ZFBYMRHFLPXMFA-UHFFFAOYSA-N 0 0 434.721 4.960 50 0 IJAARN CC(C)[C@@H](O)C1(CNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)CC1 ZINC000095987348 569378093 /nfs/dbraw/zinc/37/80/93/569378093.db2.gz NSKVMOQINCEJIJ-LJQANCHMSA-N 0 0 449.473 4.876 50 0 IJAARN CCCSc1ccccc1N1CCN(CCC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026810 569380843 /nfs/dbraw/zinc/38/08/43/569380843.db2.gz MLWKQMVJFDJLJF-UHFFFAOYSA-N 0 0 428.598 4.601 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc(N2CCOCC2)cc1 ZINC000096102830 569381942 /nfs/dbraw/zinc/38/19/42/569381942.db2.gz CRKGWVUQHUNBSX-UHFFFAOYSA-N 0 0 427.957 4.539 50 0 IJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103465 569381987 /nfs/dbraw/zinc/38/19/87/569381987.db2.gz CUDMHHRFXODWMM-HXUWFJFHSA-N 0 0 431.966 4.757 50 0 IJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096114380 569382914 /nfs/dbraw/zinc/38/29/14/569382914.db2.gz ANXKEKJQJQPNQX-INIZCTEOSA-N 0 0 442.423 4.638 50 0 biogenic IJAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000096116995 569383981 /nfs/dbraw/zinc/38/39/81/569383981.db2.gz VDTPSZQAICDHIM-MRXNPFEDSA-N 0 0 432.351 4.740 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117229 569384075 /nfs/dbraw/zinc/38/40/75/569384075.db2.gz GEKRGMOLZUIUON-KXBFYZLASA-N 0 0 441.532 4.722 50 0 IJAARN CC(C)Sc1ccc(CC(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000096121557 569385082 /nfs/dbraw/zinc/38/50/82/569385082.db2.gz GPWSOJBJBCWYGB-UHFFFAOYSA-N 0 0 425.520 4.640 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121669 569385147 /nfs/dbraw/zinc/38/51/47/569385147.db2.gz ATZDIPFTPOUDAL-UHFFFAOYSA-N 0 0 447.926 4.869 50 0 IJAARN COc1cc(-c2cc(C(=O)NCc3ccccc3-c3ccsc3)[nH]n2)cc(OC)c1OC ZINC000096122941 569385230 /nfs/dbraw/zinc/38/52/30/569385230.db2.gz TUTXHEAIEKABKY-UHFFFAOYSA-N 0 0 449.532 4.761 50 0 IJAARN Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccccc1-c1ccsc1 ZINC000096122915 569385261 /nfs/dbraw/zinc/38/52/61/569385261.db2.gz AJCPCUFLCGZSOK-UHFFFAOYSA-N 0 0 426.339 4.994 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C/c2nccn2CC(F)(F)F)s1 ZINC000096189956 569386211 /nfs/dbraw/zinc/38/62/11/569386211.db2.gz GABRFAJPYKJDTC-XFFZJAGNSA-N 0 0 448.257 4.940 50 0 IJAARN CC(C)(C)NC(=O)N(Cc1cc(-c2ccc(F)cc2)on1)Cc1ccc2c(c1)OCO2 ZINC000096210719 569386443 /nfs/dbraw/zinc/38/64/43/569386443.db2.gz FRMVBCHAFRLRTK-UHFFFAOYSA-N 0 0 425.460 4.720 50 0 IJAARN CC(C)CC(=O)N1C[C@@H](C(=O)NCc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211273 569386558 /nfs/dbraw/zinc/38/65/58/569386558.db2.gz LTOOEBBJVYNBCJ-NHCUHLMSSA-N 0 0 432.486 4.610 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(OC)c3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000096274262 569388111 /nfs/dbraw/zinc/38/81/11/569388111.db2.gz MLRAONDGCOPQRT-DEOSSOPVSA-N 0 0 448.494 4.679 50 0 IJAARN O=C(NCc1ccco1)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000096280516 569389531 /nfs/dbraw/zinc/38/95/31/569389531.db2.gz QKKSREUBXWHHSX-JTSKRJEESA-N 0 0 439.462 4.859 50 0 IJAARN COc1ccccc1CN1CCc2nc(N3CCCC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000096281825 569390162 /nfs/dbraw/zinc/39/01/62/569390162.db2.gz DFVQKMLDDGPHIG-UHFFFAOYSA-N 0 0 430.552 4.744 50 0 IJAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)CC(C)C ZINC000096289477 569390669 /nfs/dbraw/zinc/39/06/69/569390669.db2.gz JPHMJOWWPAUEOY-UHFFFAOYSA-N 0 0 438.977 4.604 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(=O)C2CCC2)c1 ZINC000096289982 569390792 /nfs/dbraw/zinc/39/07/92/569390792.db2.gz POKPWOAKHYMWNI-UHFFFAOYSA-N 0 0 447.984 4.955 50 0 IJAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000096292348 569391373 /nfs/dbraw/zinc/39/13/73/569391373.db2.gz XFIGUMPOHJQDIW-UHFFFAOYSA-N 0 0 429.351 4.770 50 0 IJAARN CC[C@H](C)N(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000096292941 569391458 /nfs/dbraw/zinc/39/14/58/569391458.db2.gz SXSUFVKQIRQILR-HNNXBMFYSA-N 0 0 443.931 4.891 50 0 IJAARN O=C(Nc1ccc2c(c1)S(=O)(=O)N=C(c1ccoc1)N2c1ccccc1)C1CCCC1 ZINC000096293402 569391528 /nfs/dbraw/zinc/39/15/28/569391528.db2.gz QEPRCJWUAGPDKY-UHFFFAOYSA-N 0 0 435.505 4.696 50 0 IJAARN Cc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)COCc3ccccc3)n2)c1 ZINC000096293250 569391558 /nfs/dbraw/zinc/39/15/58/569391558.db2.gz UFJYORDTKCCTOF-UHFFFAOYSA-N 0 0 441.531 4.833 50 0 IJAARN CCC(=O)N1CCN(c2nc([C@@H](C)CC)nc(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317381 569393299 /nfs/dbraw/zinc/39/32/99/569393299.db2.gz PFIQNNNJVWSHIL-HNNXBMFYSA-N 0 0 432.971 4.740 50 0 IJAARN O=c1ccc(-c2ccccc2Cl)nn1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000096322875 569394909 /nfs/dbraw/zinc/39/49/09/569394909.db2.gz BIGMBWSFCMSHOM-UHFFFAOYSA-N 0 0 448.788 4.561 50 0 IJAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)c(F)c3)n2)cc1 ZINC000096322939 569395028 /nfs/dbraw/zinc/39/50/28/569395028.db2.gz XIGZSPBQFCNBAR-UHFFFAOYSA-N 0 0 447.488 4.877 50 0 IJAARN COc1ccc(CNC(=O)C[C@H]2COc3cc(C)ccc3N2Cc2ccc(F)cc2)cc1 ZINC000096323003 569395037 /nfs/dbraw/zinc/39/50/37/569395037.db2.gz CKTSNIAIJPSTLM-QFIPXVFZSA-N 0 0 434.511 4.617 50 0 IJAARN COc1ccccc1CNC(=O)C[C@H]1COc2cc(C)ccc2N1Cc1ccc(C)cc1 ZINC000096323035 569395047 /nfs/dbraw/zinc/39/50/47/569395047.db2.gz PFNITEKGFUZQOD-QHCPKHFHSA-N 0 0 430.548 4.786 50 0 IJAARN COc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)c(OC)c1 ZINC000096324377 569395823 /nfs/dbraw/zinc/39/58/23/569395823.db2.gz ZWGOHAREEGEZEO-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN COc1ccc(-n2cc(-c3nc(-c4cccc(OC)c4)no3)c3ccccc3c2=O)cc1 ZINC000096324253 569395832 /nfs/dbraw/zinc/39/58/32/569395832.db2.gz SFNZEZCNOFBEAE-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN COc1cccc(-c2noc(-c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)n2)c1 ZINC000096324272 569395851 /nfs/dbraw/zinc/39/58/51/569395851.db2.gz JXPVYRQBQKVIAM-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Cl)cc1 ZINC000096324517 569395957 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O=C(CCSCc1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002953788 569432265 /nfs/dbraw/zinc/43/22/65/569432265.db2.gz IKSIGDYEYANLOZ-UHFFFAOYSA-N 0 0 426.479 4.817 50 0 IJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057373576 569432574 /nfs/dbraw/zinc/43/25/74/569432574.db2.gz MEJNTZFZDYADQW-UHFFFAOYSA-N 0 0 427.548 4.677 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2F)cc1 ZINC000057381127 569432710 /nfs/dbraw/zinc/43/27/10/569432710.db2.gz QEUDAGRMVFDVLN-IAGOWNOFSA-N 0 0 435.499 4.764 50 0 IJAARN Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002963893 569432882 /nfs/dbraw/zinc/43/28/82/569432882.db2.gz XCDDESXMGPMCON-NFJKTXFASA-N 0 0 444.328 4.898 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 ZINC000057416960 569434295 /nfs/dbraw/zinc/43/42/95/569434295.db2.gz MFCBWDHQJLTSTA-UHFFFAOYSA-N 0 0 439.537 4.685 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1ccc(F)cc1F ZINC000057425436 569434405 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CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3Cl)c2)CC1 ZINC000003023917 569436186 /nfs/dbraw/zinc/43/61/86/569436186.db2.gz SEFBRWQTUKANLX-UHFFFAOYSA-N 0 0 445.343 4.805 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057487320 569436680 /nfs/dbraw/zinc/43/66/80/569436680.db2.gz PBXRAVVRSSWMRE-OAHLLOKOSA-N 0 0 436.899 4.745 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c(C)c1 ZINC000057487534 569436801 /nfs/dbraw/zinc/43/68/01/569436801.db2.gz LWANANYWCTYYPN-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1)Nc1cccc(F)c1 ZINC000057487981 569436897 /nfs/dbraw/zinc/43/68/97/569436897.db2.gz SSEZKMFWELNBIK-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F ZINC000003031242 569437612 /nfs/dbraw/zinc/43/76/12/569437612.db2.gz RJSBGFKYMZEETK-UHFFFAOYSA-N 0 0 430.545 4.864 50 0 IJAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccc(F)cc4)cnn3c2C)c(C)c1 ZINC000003035591 569437922 /nfs/dbraw/zinc/43/79/22/569437922.db2.gz KGJIKKKUJQPAEU-UHFFFAOYSA-N 0 0 430.527 4.931 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1CCc1ccccc1Cl ZINC000003038487 569438011 /nfs/dbraw/zinc/43/80/11/569438011.db2.gz WUDXRYYABLAOPM-QHCPKHFHSA-N 0 0 428.935 4.766 50 0 IJAARN Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(C)c1Cc1cccc(Br)c1 ZINC000003045416 569438623 /nfs/dbraw/zinc/43/86/23/569438623.db2.gz FONVSKKKXBMVQT-UHFFFAOYSA-N 0 0 449.352 4.629 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 ZINC000057523144 569439056 /nfs/dbraw/zinc/43/90/56/569439056.db2.gz ZMUQSOHGLZFHDX-UHFFFAOYSA-N 0 0 432.549 4.783 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3)=N[C@@H](C)C2=O)cc1F ZINC000003055982 569439373 /nfs/dbraw/zinc/43/93/73/569439373.db2.gz UDPYZUIEFZHUAB-INIZCTEOSA-N 0 0 449.913 4.999 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1C ZINC000003059263 569439427 /nfs/dbraw/zinc/43/94/27/569439427.db2.gz AISKXFHKPIINDE-UHFFFAOYSA-N 0 0 435.574 4.854 50 0 IJAARN CCOc1ccc(-c2nc(CSCC(=O)NCc3ccc(OC)cc3)c(C)o2)cc1 ZINC000003063446 569439623 /nfs/dbraw/zinc/43/96/23/569439623.db2.gz WOPSOHWVLGUMIP-UHFFFAOYSA-N 0 0 426.538 4.607 50 0 IJAARN Clc1c(Br)c(Br)nc(Br)c1Br ZINC000003091416 569440076 /nfs/dbraw/zinc/44/00/76/569440076.db2.gz ICVHEWUAWRNITL-UHFFFAOYSA-N 0 0 429.131 4.785 50 0 IJAARN Cc1cccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000003256337 569443080 /nfs/dbraw/zinc/44/30/80/569443080.db2.gz LOQRJSRWVUXFFV-UHFFFAOYSA-N 0 0 429.398 4.948 50 0 IJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)cc1 ZINC000003278695 569443800 /nfs/dbraw/zinc/44/38/00/569443800.db2.gz QHIGDCUUZLQUTE-QGZVFWFLSA-N 0 0 445.548 4.879 50 0 IJAARN COc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)o2)c1 ZINC000003285871 569444045 /nfs/dbraw/zinc/44/40/45/569444045.db2.gz RDZFPFCSTXBZAI-UHFFFAOYSA-N 0 0 432.929 4.827 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000003310990 569445507 /nfs/dbraw/zinc/44/55/07/569445507.db2.gz RVPLHDQUNUNROY-UHFFFAOYSA-N 0 0 439.606 4.968 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000003315449 569445716 /nfs/dbraw/zinc/44/57/16/569445716.db2.gz ZBLCATZGOOWPTK-UHFFFAOYSA-N 0 0 432.687 4.808 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003316802 569445751 /nfs/dbraw/zinc/44/57/51/569445751.db2.gz JNYKLGVBPLWEEA-UHFFFAOYSA-N 0 0 426.572 4.510 50 0 IJAARN CC(C)[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000504517174 569446806 /nfs/dbraw/zinc/44/68/06/569446806.db2.gz XECAHUFWKFRNQZ-XMMPIXPASA-N 0 0 445.567 4.621 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c(OC)c1 ZINC000003347212 569447163 /nfs/dbraw/zinc/44/71/63/569447163.db2.gz GDXMVVGYGCKDGL-UHFFFAOYSA-N 0 0 430.555 4.647 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000003354861 569447584 /nfs/dbraw/zinc/44/75/84/569447584.db2.gz FEUXDRAQMMBUAS-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)Nc1ccccc1 ZINC000003356362 569447621 /nfs/dbraw/zinc/44/76/21/569447621.db2.gz OVJMTQVEBNBZNT-SFHVURJKSA-N 0 0 428.945 4.508 50 0 IJAARN CCCCCCn1nc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2c1=O ZINC000003355657 569447636 /nfs/dbraw/zinc/44/76/36/569447636.db2.gz XLRFHBRGIDQGOH-UHFFFAOYSA-N 0 0 432.476 4.611 50 0 IJAARN O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1ccc(OC(F)(F)F)cc1 ZINC000003358200 569447679 /nfs/dbraw/zinc/44/76/79/569447679.db2.gz PFJUIOFIIYNMDI-UHFFFAOYSA-N 0 0 433.382 4.545 50 0 IJAARN C[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003378793 569448720 /nfs/dbraw/zinc/44/87/20/569448720.db2.gz BJYPXOHCPPEOQG-UZLBHIALSA-N 0 0 447.501 4.536 50 0 IJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1nc2c(cc(C)cc2C)s1)C(C)C ZINC000003395167 569449369 /nfs/dbraw/zinc/44/93/69/569449369.db2.gz CKKRVJJVYABIKT-IBGZPJMESA-N 0 0 425.554 4.705 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000003431226 569450816 /nfs/dbraw/zinc/45/08/16/569450816.db2.gz PZMDANLBYJLNCM-UHFFFAOYSA-N 0 0 448.872 4.859 50 0 IJAARN COCc1c2ccccc2oc1C(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000003448442 569451494 /nfs/dbraw/zinc/45/14/94/569451494.db2.gz PWQIKIXOZDPGQU-UHFFFAOYSA-N 0 0 436.489 4.807 50 0 IJAARN O=C(COc1ccccc1-c1ccccc1)Nc1cc2c(cc1Br)OCCO2 ZINC000003459266 569451847 /nfs/dbraw/zinc/45/18/47/569451847.db2.gz PLMPBQVADXCICS-UHFFFAOYSA-N 0 0 440.293 4.905 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)[C@@H]1C ZINC000003460034 569451868 /nfs/dbraw/zinc/45/18/68/569451868.db2.gz FEZCXRDDVKUDOY-MBOZVWFJSA-N 0 0 437.565 4.699 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003563545 569454085 /nfs/dbraw/zinc/45/40/85/569454085.db2.gz BXBZHONAOVGACN-UHFFFAOYSA-N 0 0 429.501 4.697 50 0 IJAARN COc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000003584658 569454472 /nfs/dbraw/zinc/45/44/72/569454472.db2.gz WYXXWKABBLFOTA-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN CC1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)CC1 ZINC000003600242 569454731 /nfs/dbraw/zinc/45/47/31/569454731.db2.gz MOSHWECYERAACN-UHFFFAOYSA-N 0 0 445.654 4.803 50 0 IJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000003615119 569455026 /nfs/dbraw/zinc/45/50/26/569455026.db2.gz HLUMVPVQHKYOOR-RUZDIDTESA-N 0 0 427.504 4.557 50 0 IJAARN Cc1ccc(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)cc1 ZINC000003629401 569455160 /nfs/dbraw/zinc/45/51/60/569455160.db2.gz UVIHPAAYSNNRFG-UHFFFAOYSA-N 0 0 440.381 4.705 50 0 IJAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2 ZINC000003660382 569455909 /nfs/dbraw/zinc/45/59/09/569455909.db2.gz IPHKQIFYQWJQAB-FQEVSTJZSA-N 0 0 443.272 4.674 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661372 569456019 /nfs/dbraw/zinc/45/60/19/569456019.db2.gz KCKJZJHKIIHETC-RPBOFIJWSA-N 0 0 446.522 4.840 50 0 IJAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000031503247 569456596 /nfs/dbraw/zinc/45/65/96/569456596.db2.gz HDAUYAFJHFDWNW-NRFANRHFSA-N 0 0 428.561 4.916 50 0 IJAARN Cc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031816731 569457974 /nfs/dbraw/zinc/45/79/74/569457974.db2.gz JIMUQEXHRUWLBC-UHFFFAOYSA-N 0 0 444.875 4.979 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938142 569458427 /nfs/dbraw/zinc/45/84/27/569458427.db2.gz KDPKICNHDLKEDD-UHFFFAOYSA-N 0 0 431.355 4.729 50 0 IJAARN CC(C)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000032101535 569460057 /nfs/dbraw/zinc/46/00/57/569460057.db2.gz ZWUCWMNBYKSNOT-QHCPKHFHSA-N 0 0 438.890 4.945 50 0 IJAARN CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C ZINC000032105871 569460235 /nfs/dbraw/zinc/46/02/35/569460235.db2.gz CLYVKDGUZROTRI-XMMPIXPASA-N 0 0 434.927 4.962 50 0 IJAARN Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)c(C)c1Br ZINC000032320790 569461178 /nfs/dbraw/zinc/46/11/78/569461178.db2.gz LYKLIPJVEMTSGY-IBGZPJMESA-N 0 0 425.330 4.624 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(C)c3cnn(-c4ccc(C)cc4)c32)cc1 ZINC000038488209 569463042 /nfs/dbraw/zinc/46/30/42/569463042.db2.gz CPFJWYPWRUMAQH-UHFFFAOYSA-N 0 0 433.537 4.562 50 0 IJAARN Cc1cc([C@H](c2ccccc2Cl)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546411 569463619 /nfs/dbraw/zinc/46/36/19/569463619.db2.gz BWPPKJWOWNUHHY-FQEVSTJZSA-N 0 0 429.973 4.892 50 0 IJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C)c1ccccc1 ZINC000067209057 569464775 /nfs/dbraw/zinc/46/47/75/569464775.db2.gz SRIVVXVOHMUFMO-UHFFFAOYSA-N 0 0 435.574 4.901 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N[C@H]1CCc2ccccc21 ZINC000067209383 569464819 /nfs/dbraw/zinc/46/48/19/569464819.db2.gz NORISMJCZPYMJY-SFHVURJKSA-N 0 0 447.585 4.651 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)cn(C)c2c1=O ZINC000067235755 569465391 /nfs/dbraw/zinc/46/53/91/569465391.db2.gz KPBNOJYBSRTNKQ-UHFFFAOYSA-N 0 0 441.318 4.656 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237431 569465556 /nfs/dbraw/zinc/46/55/56/569465556.db2.gz ZEQAJDCPHDPCOX-UHFFFAOYSA-N 0 0 442.903 4.546 50 0 IJAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000067238270 569465583 /nfs/dbraw/zinc/46/55/83/569465583.db2.gz KRUICPNSGNVBOZ-UHFFFAOYSA-N 0 0 438.475 4.583 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCc1csc2nc(-c3ccccc3F)nn12 ZINC000038669137 569465981 /nfs/dbraw/zinc/46/59/81/569465981.db2.gz WLVDSTGPQVLZPV-UHFFFAOYSA-N 0 0 445.907 4.623 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3ccc(F)cc3F)ncc2S1(=O)=O ZINC000067260236 569466296 /nfs/dbraw/zinc/46/62/96/569466296.db2.gz TUDKJHOEAMIVKF-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN C=Cc1ccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1 ZINC000067260100 569466297 /nfs/dbraw/zinc/46/62/97/569466297.db2.gz AGTFCFAGBOZEJD-UHFFFAOYSA-N 0 0 429.954 4.871 50 0 IJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(F)c(F)c3)c(=O)c12 ZINC000067260411 569466334 /nfs/dbraw/zinc/46/63/34/569466334.db2.gz CJKSBGSEMLIODO-UHFFFAOYSA-N 0 0 442.472 4.871 50 0 IJAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(Cl)cc5)c(=O)n4ccn3n2)cc1 ZINC000067260526 569466368 /nfs/dbraw/zinc/46/63/68/569466368.db2.gz KDBMJLOWHSDHCN-UHFFFAOYSA-N 0 0 447.926 4.691 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(C)c(Cl)c3)oc21 ZINC000067294119 569467832 /nfs/dbraw/zinc/46/78/32/569467832.db2.gz LXAMKTZHAHVYTR-LTHSRMNQSA-N 0 0 426.900 4.544 50 0 IJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067299298 569468141 /nfs/dbraw/zinc/46/81/41/569468141.db2.gz WTUJFRSYTMFISS-MEFGMAGPSA-N 0 0 444.365 4.792 50 0 IJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 ZINC000067299293 569468164 /nfs/dbraw/zinc/46/81/64/569468164.db2.gz FEGFHJYDSZNOAG-MEFGMAGPSA-N 0 0 428.366 4.913 50 0 IJAARN Cc1cc2nc(SCC(=O)N[C@@H](C)c3ccc(C)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319552 569468549 /nfs/dbraw/zinc/46/85/49/569468549.db2.gz VXDLAJMOCBXDNK-SFHVURJKSA-N 0 0 446.576 4.609 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008942531 569488707 /nfs/dbraw/zinc/48/87/07/569488707.db2.gz ZTZBHKUWBKQTAB-CYBMUJFWSA-N 0 0 437.384 4.627 50 0 IJAARN COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc32)c(OC)c1 ZINC000067335427 569468879 /nfs/dbraw/zinc/46/88/79/569468879.db2.gz OEHHGJKLQIXECW-UHFFFAOYSA-N 0 0 443.956 4.838 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c2n1 ZINC000008705256 569470378 /nfs/dbraw/zinc/47/03/78/569470378.db2.gz CLHFOGCMXNYKQQ-UHFFFAOYSA-N 0 0 432.307 4.676 50 0 IJAARN Brc1cc2c(cc1CSc1nnc(NCc3ccccc3)s1)OCO2 ZINC000008707339 569470543 /nfs/dbraw/zinc/47/05/43/569470543.db2.gz IBBCOPILQWREEW-UHFFFAOYSA-N 0 0 436.356 4.934 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008710278 569470873 /nfs/dbraw/zinc/47/08/73/569470873.db2.gz SXUWXMUMUMTFPF-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)c2ccccn2)cc1OC ZINC000008710696 569470928 /nfs/dbraw/zinc/47/09/28/569470928.db2.gz KMLSRKHNLPZQCQ-SFHVURJKSA-N 0 0 442.519 4.502 50 0 IJAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1nc2ccccc2c(=O)[nH]1 ZINC000008720146 569471502 /nfs/dbraw/zinc/47/15/02/569471502.db2.gz BATTXCBDKLJLII-LLVKDONJSA-N 0 0 427.327 4.929 50 0 IJAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008728316 569472418 /nfs/dbraw/zinc/47/24/18/569472418.db2.gz ZEWFTUPAEPBJAT-UHFFFAOYSA-N 0 0 428.945 4.988 50 0 IJAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000008736205 569472717 /nfs/dbraw/zinc/47/27/17/569472717.db2.gz XRXOWWTYZZIILE-FXAWDEMLSA-N 0 0 434.565 4.904 50 0 IJAARN COc1ccc(-c2cc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)ccc2OC)cc1 ZINC000008750002 569473318 /nfs/dbraw/zinc/47/33/18/569473318.db2.gz QSEQZACCVDWDSM-QFIPXVFZSA-N 0 0 434.517 4.812 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)Nc1ccccc1 ZINC000008750163 569473334 /nfs/dbraw/zinc/47/33/34/569473334.db2.gz RUTWYOKQRNCTMF-UHFFFAOYSA-N 0 0 435.936 4.829 50 0 IJAARN COc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2-c2ccccc2F)cc1 ZINC000008751807 569473453 /nfs/dbraw/zinc/47/34/53/569473453.db2.gz BJPHICZNPBPHII-HXUWFJFHSA-N 0 0 427.501 4.598 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000008753170 569473669 /nfs/dbraw/zinc/47/36/69/569473669.db2.gz YPVVFBBOGMLRPN-SFHVURJKSA-N 0 0 445.494 4.784 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 ZINC000008753803 569473720 /nfs/dbraw/zinc/47/37/20/569473720.db2.gz RIYJGIVJRQPDOH-UHFFFAOYSA-N 0 0 437.459 4.839 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1C ZINC000008753471 569473723 /nfs/dbraw/zinc/47/37/23/569473723.db2.gz AMLJFUIPNHALKT-UHFFFAOYSA-N 0 0 432.505 4.611 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C(=O)NC3CC3)c3ccccc3)nc(=O)c12 ZINC000008753545 569473735 /nfs/dbraw/zinc/47/37/35/569473735.db2.gz MWRSOGFECPCTJZ-BFUOFWGJSA-N 0 0 441.622 4.994 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N(CC)CC)cc21 ZINC000008757125 569474108 /nfs/dbraw/zinc/47/41/08/569474108.db2.gz YXOSJXFDDARBEW-UHFFFAOYSA-N 0 0 444.572 4.846 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000008758535 569474224 /nfs/dbraw/zinc/47/42/24/569474224.db2.gz PAFLPHFLQUYCRZ-HXUWFJFHSA-N 0 0 441.531 4.817 50 0 IJAARN COC(=O)c1ccc(COc2ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc3c2)cc1 ZINC000008790828 569476118 /nfs/dbraw/zinc/47/61/18/569476118.db2.gz WTCZGXGTROLQCR-UHFFFAOYSA-N 0 0 446.455 4.843 50 0 biogenic IJAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008815829 569476774 /nfs/dbraw/zinc/47/67/74/569476774.db2.gz KWXVECJCHYYHBA-HXUWFJFHSA-N 0 0 430.957 4.920 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC(=O)Cc1ccccc1 ZINC000008824143 569477162 /nfs/dbraw/zinc/47/71/62/569477162.db2.gz ZBWKVAYBEMSCTG-UHFFFAOYSA-N 0 0 428.513 4.986 50 0 IJAARN Cc1ccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1C ZINC000008837518 569478199 /nfs/dbraw/zinc/47/81/99/569478199.db2.gz MABGLGXXAGIJAB-LFVJCYFKSA-N 0 0 442.540 4.532 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(OC)ccc2o1 ZINC000008843777 569478525 /nfs/dbraw/zinc/47/85/25/569478525.db2.gz KLHOJVULPNUIJU-UHFFFAOYSA-N 0 0 449.484 4.959 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)n2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000008847227 569479161 /nfs/dbraw/zinc/47/91/61/569479161.db2.gz MNUVOSPVYKLZMH-AWEZNQCLSA-N 0 0 437.496 4.863 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)c1 ZINC000008851100 569479362 /nfs/dbraw/zinc/47/93/62/569479362.db2.gz BBHDZQDFIFFGMZ-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 ZINC000008851562 569479391 /nfs/dbraw/zinc/47/93/91/569479391.db2.gz HWMDMGPAKBMIMF-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 ZINC000008852812 569479523 /nfs/dbraw/zinc/47/95/23/569479523.db2.gz ALZBUVREGXQOQE-MRXNPFEDSA-N 0 0 425.579 4.602 50 0 IJAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NCc1ccc2c(c1)OCO2 ZINC000008854333 569479607 /nfs/dbraw/zinc/47/96/07/569479607.db2.gz QFRCODKRLKHTCC-UHFFFAOYSA-N 0 0 432.954 4.676 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008855908 569479746 /nfs/dbraw/zinc/47/97/46/569479746.db2.gz FXXSVDMFUISGPQ-CQSZACIVSA-N 0 0 446.956 4.711 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C(=O)Nc3ccccc3)c2C)no1 ZINC000008862020 569480078 /nfs/dbraw/zinc/48/00/78/569480078.db2.gz VMOXAFRGEVTYFG-UHFFFAOYSA-N 0 0 429.476 4.905 50 0 IJAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N(C)Cc1ccccc1 ZINC000008862436 569480223 /nfs/dbraw/zinc/48/02/23/569480223.db2.gz YDAXKCJYKLCPKH-LLVKDONJSA-N 0 0 428.867 4.541 50 0 IJAARN O=C(COc1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000008868737 569480370 /nfs/dbraw/zinc/48/03/70/569480370.db2.gz XEVSRYUIHBYJGL-LJQANCHMSA-N 0 0 438.749 4.689 50 0 IJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000008871054 569480700 /nfs/dbraw/zinc/48/07/00/569480700.db2.gz VCUNPOQRJRPERL-LBPRGKRZSA-N 0 0 439.313 4.874 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008871392 569480753 /nfs/dbraw/zinc/48/07/53/569480753.db2.gz XTGWRMZJBLAHLT-FQEVSTJZSA-N 0 0 441.531 4.953 50 0 IJAARN COc1cc(-c2cc(C(=O)O[C@@H]3CCCCC3=O)c3ccccc3n2)cc(OC)c1OC ZINC000008877729 569481252 /nfs/dbraw/zinc/48/12/52/569481252.db2.gz JHOYFBPHYBWUMI-OAQYLSRUSA-N 0 0 435.476 4.596 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2c(C)cccc2C)o1 ZINC000039574425 569481800 /nfs/dbraw/zinc/48/18/00/569481800.db2.gz CLDYHYBNWLZCRB-UHFFFAOYSA-N 0 0 429.476 4.853 50 0 IJAARN O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000039587445 569481803 /nfs/dbraw/zinc/48/18/03/569481803.db2.gz NSBMVPKMNKEJRC-UHFFFAOYSA-N 0 0 427.593 4.856 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3cccc(F)c3)ccc21 ZINC000039976047 569482153 /nfs/dbraw/zinc/48/21/53/569482153.db2.gz NETIZRMZCHKLQH-UHFFFAOYSA-N 0 0 446.511 4.660 50 0 IJAARN O=C(CCSc1ccccc1F)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000040005250 569482454 /nfs/dbraw/zinc/48/24/54/569482454.db2.gz LYTSSWVXYYTRJM-UHFFFAOYSA-N 0 0 434.334 4.954 50 0 IJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000040011936 569482523 /nfs/dbraw/zinc/48/25/23/569482523.db2.gz BDFXREAZFXKTPD-OFNKIYASSA-N 0 0 428.561 4.969 50 0 IJAARN C[C@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(Cl)cc1 ZINC000040017318 569482622 /nfs/dbraw/zinc/48/26/22/569482622.db2.gz GQGKIAKOWHUKGD-AWEZNQCLSA-N 0 0 426.365 4.957 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)c12 ZINC000040024771 569482795 /nfs/dbraw/zinc/48/27/95/569482795.db2.gz SMUSGDAWLUARTM-JTQLQIEISA-N 0 0 434.279 4.899 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000008895397 569483788 /nfs/dbraw/zinc/48/37/88/569483788.db2.gz DHUXVOPGIIDUNL-UHFFFAOYSA-N 0 0 441.579 4.648 50 0 IJAARN Cc1cc(C)nc(SCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000040049262 569483881 /nfs/dbraw/zinc/48/38/81/569483881.db2.gz OOILPYSIEMAHLR-GOSISDBHSA-N 0 0 434.565 4.657 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008900665 569484184 /nfs/dbraw/zinc/48/41/84/569484184.db2.gz GWLLTQRQJBRMSP-UHFFFAOYSA-N 0 0 426.542 4.653 50 0 IJAARN COc1ccc(N2C(=S)N[C@H](c3sccc3C)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000040050432 569484242 /nfs/dbraw/zinc/48/42/42/569484242.db2.gz RKKZMCODAPQUHZ-IBGZPJMESA-N 0 0 446.594 4.735 50 0 IJAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000040050749 569484245 /nfs/dbraw/zinc/48/42/45/569484245.db2.gz DVMHNFKSWLGSMY-UHFFFAOYSA-N 0 0 437.543 4.816 50 0 IJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1C ZINC000008901721 569484344 /nfs/dbraw/zinc/48/43/44/569484344.db2.gz CHBFOCBIALQWKU-UHFFFAOYSA-N 0 0 428.587 4.941 50 0 IJAARN Cc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000008901641 569484359 /nfs/dbraw/zinc/48/43/59/569484359.db2.gz QIOINEQUQOYZLL-GOSISDBHSA-N 0 0 429.549 4.607 50 0 IJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000040052679 569484560 /nfs/dbraw/zinc/48/45/60/569484560.db2.gz AWTOAVPUZCWNHC-HNNXBMFYSA-N 0 0 425.575 4.750 50 0 IJAARN O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccc(-c2nnco2)cc1 ZINC000040059726 569484726 /nfs/dbraw/zinc/48/47/26/569484726.db2.gz WJHWSNPQQKLBCO-UHFFFAOYSA-N 0 0 441.310 4.804 50 0 IJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000008915784 569485601 /nfs/dbraw/zinc/48/56/01/569485601.db2.gz HWVUCQLVKUOFCY-HXUWFJFHSA-N 0 0 441.531 4.931 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000008916179 569485770 /nfs/dbraw/zinc/48/57/70/569485770.db2.gz VJBAVJOXUDAPON-UHFFFAOYSA-N 0 0 431.876 4.600 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 ZINC000008917480 569486027 /nfs/dbraw/zinc/48/60/27/569486027.db2.gz IYPJJUDVVHSPRC-UHFFFAOYSA-N 0 0 427.913 4.770 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 ZINC000008917619 569486030 /nfs/dbraw/zinc/48/60/30/569486030.db2.gz OXVQLLAAFSLWOF-UHFFFAOYSA-N 0 0 426.929 4.941 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000040080990 569486583 /nfs/dbraw/zinc/48/65/83/569486583.db2.gz MCSQUHONUWDWJM-GJZGRUSLSA-N 0 0 443.491 4.599 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)o1 ZINC000008922959 569487023 /nfs/dbraw/zinc/48/70/23/569487023.db2.gz RXPKYAKTJXRVIQ-QFIPXVFZSA-N 0 0 430.287 4.902 50 0 IJAARN Cc1ccc(CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c2ccc3c(c2)OCCO3)s1 ZINC000040090506 569487437 /nfs/dbraw/zinc/48/74/37/569487437.db2.gz HTYQNOAYNRWDMP-JWTNVVGKSA-N 0 0 425.550 4.756 50 0 IJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)CC1 ZINC000040090507 569487442 /nfs/dbraw/zinc/48/74/42/569487442.db2.gz AHTAIZNJULVROW-UHFFFAOYSA-N 0 0 428.552 4.532 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1OC ZINC000008932823 569487676 /nfs/dbraw/zinc/48/76/76/569487676.db2.gz CFROWNZNFSOHRB-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccccc3Cl)c(C(=O)[O-])c2C)c1 ZINC000008932942 569487734 /nfs/dbraw/zinc/48/77/34/569487734.db2.gz KYGXWQRPJLEUIC-UHFFFAOYSA-N 0 0 426.944 4.846 50 0 IJAARN COc1cc(C(=O)NCCc2ccco2)cc(Br)c1OCc1ccccc1 ZINC000008938679 569488222 /nfs/dbraw/zinc/48/82/22/569488222.db2.gz OWFKXGZDEXILDJ-UHFFFAOYSA-N 0 0 430.298 4.602 50 0 IJAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112517 569488951 /nfs/dbraw/zinc/48/89/51/569488951.db2.gz DMXSTDGBJDBLLE-GOSISDBHSA-N 0 0 429.998 4.615 50 0 IJAARN O=C(Nc1ccccc1Br)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000040128116 569489733 /nfs/dbraw/zinc/48/97/33/569489733.db2.gz VZAMIKPUXOMWMR-GFCCVEGCSA-N 0 0 428.252 4.718 50 0 IJAARN CC(C)CN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008952245 569489983 /nfs/dbraw/zinc/48/99/83/569489983.db2.gz HFXWURVDXUAUAM-CJAUYULYSA-N 0 0 435.955 4.509 50 0 biogenic IJAARN CC(C)CCN1c2ccc(NC(=O)COc3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000008959309 569490364 /nfs/dbraw/zinc/49/03/64/569490364.db2.gz PVEYSKXBAJBWFC-UHFFFAOYSA-N 0 0 428.504 4.641 50 0 IJAARN CN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H](c1ccccc1)c1ccccn1 ZINC000040134789 569490573 /nfs/dbraw/zinc/49/05/73/569490573.db2.gz JKXHFRWEYGAMKY-XMMPIXPASA-N 0 0 447.966 4.835 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc1O2 ZINC000008961350 569491015 /nfs/dbraw/zinc/49/10/15/569491015.db2.gz DYSRCXWQHIYIGU-UHFFFAOYSA-N 0 0 428.897 4.948 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cccc(Cl)c3)ccc1O2 ZINC000008961455 569491120 /nfs/dbraw/zinc/49/11/20/569491120.db2.gz LRIFHOCWCPAORN-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CC[C@H](C(=O)N[C@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965280 569491395 /nfs/dbraw/zinc/49/13/95/569491395.db2.gz COMJLRZWEHICDC-UZUQRXQVSA-N 0 0 428.536 4.633 50 0 IJAARN CC[C@H](C(=O)Nc1cc(F)ccc1F)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965296 569491398 /nfs/dbraw/zinc/49/13/98/569491398.db2.gz KVGWDEKDCDUKNT-OAQYLSRUSA-N 0 0 436.462 4.672 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1cccc(Cl)c1 ZINC000008965325 569491406 /nfs/dbraw/zinc/49/14/06/569491406.db2.gz POHBUJVENGOJPU-UHFFFAOYSA-N 0 0 448.954 4.554 50 0 IJAARN COc1ccc(CNC(=O)c2ccccc2Sc2ccc(Br)cn2)cc1 ZINC000040146496 569492256 /nfs/dbraw/zinc/49/22/56/569492256.db2.gz SOEFYSWEHKKBOT-UHFFFAOYSA-N 0 0 429.339 4.934 50 0 IJAARN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040153710 569493629 /nfs/dbraw/zinc/49/36/29/569493629.db2.gz WPKOZKGOMNWHLP-JPYJTQIMSA-N 0 0 427.976 4.731 50 0 IJAARN COc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000040154990 569493848 /nfs/dbraw/zinc/49/38/48/569493848.db2.gz KELUACAJTXBTPY-JOCHJYFZSA-N 0 0 444.300 4.881 50 0 IJAARN C[C@H](NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000008981641 569494461 /nfs/dbraw/zinc/49/44/61/569494461.db2.gz GKBIHLZTMFXTRN-QFIPXVFZSA-N 0 0 447.623 4.645 50 0 IJAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000008983377 569494665 /nfs/dbraw/zinc/49/46/65/569494665.db2.gz KGBMNBMTGOXZHT-WOJGMQOQSA-N 0 0 431.897 4.518 50 0 IJAARN CCOc1cc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc(OCC)c1OCC ZINC000008986099 569494853 /nfs/dbraw/zinc/49/48/53/569494853.db2.gz NQKAHZOMBKRBEN-UHFFFAOYSA-N 0 0 433.574 4.577 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000008987255 569494868 /nfs/dbraw/zinc/49/48/68/569494868.db2.gz CSMQTXDCSQEFDL-UHFFFAOYSA-N 0 0 432.520 4.823 50 0 IJAARN CC(C)c1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000040161514 569495217 /nfs/dbraw/zinc/49/52/17/569495217.db2.gz DPHNQAFERULSNR-UHFFFAOYSA-N 0 0 436.383 4.646 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)n2C)cc1 ZINC000008991601 569495308 /nfs/dbraw/zinc/49/53/08/569495308.db2.gz WIEOMWJEEPVJNZ-UHFFFAOYSA-N 0 0 436.537 4.525 50 0 IJAARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)Nc1cccc(Oc2ccccc2)c1 ZINC000008994558 569495597 /nfs/dbraw/zinc/49/55/97/569495597.db2.gz ZOLOKBTUAZVGCY-QJOMJCCJSA-N 0 0 428.488 4.766 50 0 IJAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cccc(OC(F)F)c1 ZINC000009049510 569498529 /nfs/dbraw/zinc/49/85/29/569498529.db2.gz IDMQVGHWOVZNGW-UHFFFAOYSA-N 0 0 426.794 4.877 50 0 IJAARN CN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Cc1ccco1 ZINC000009053043 569498810 /nfs/dbraw/zinc/49/88/10/569498810.db2.gz GCIBJJQUEQFYAH-UHFFFAOYSA-N 0 0 431.414 4.621 50 0 IJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccc3c(c2)OCCO3)N1 ZINC000009090321 569501035 /nfs/dbraw/zinc/50/10/35/569501035.db2.gz RFJMACSDHXUDGW-HSZRJFAPSA-N 0 0 441.512 4.990 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000009095262 569501324 /nfs/dbraw/zinc/50/13/24/569501324.db2.gz SNAUQJUFTAYFGY-UHFFFAOYSA-N 0 0 443.931 4.993 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)c(C)c3)C(C)C)n2)cc1 ZINC000009095274 569501329 /nfs/dbraw/zinc/50/13/29/569501329.db2.gz DMVCAFHFPRNNJN-UHFFFAOYSA-N 0 0 429.904 4.523 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H]1c1cccs1 ZINC000245258124 569501684 /nfs/dbraw/zinc/50/16/84/569501684.db2.gz KNWWWAXPHDBEDC-IQDXDELSSA-N 0 0 440.609 4.616 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)c2cc(Cl)ccc2O1 ZINC000245276362 569501943 /nfs/dbraw/zinc/50/19/43/569501943.db2.gz UXYWMWCRIZHMHD-TVKQPGBESA-N 0 0 448.007 4.700 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245276739 569501986 /nfs/dbraw/zinc/50/19/86/569501986.db2.gz VJRJMPRQYPEKND-HHJKRLRDSA-N 0 0 425.573 4.704 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@H]1C ZINC000245279089 569502061 /nfs/dbraw/zinc/50/20/61/569502061.db2.gz BZMHVEWDBUBRFS-MOPGFXCFSA-N 0 0 428.552 4.970 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009111756 569502325 /nfs/dbraw/zinc/50/23/25/569502325.db2.gz GFMZJHUGQHSOOJ-UHFFFAOYSA-N 0 0 436.537 4.738 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)c(OC)c1 ZINC000069367322 569502466 /nfs/dbraw/zinc/50/24/66/569502466.db2.gz VHSBYJYRDNATRL-HXUWFJFHSA-N 0 0 443.931 4.618 50 0 IJAARN Cc1ccc([S@@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)cc1 ZINC000009115705 569502777 /nfs/dbraw/zinc/50/27/77/569502777.db2.gz QQSMPIQWFAEBTD-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000009115686 569502817 /nfs/dbraw/zinc/50/28/17/569502817.db2.gz YYUWVCOAVKABPG-GDLZYMKVSA-N 0 0 431.941 4.958 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 ZINC000009120444 569503932 /nfs/dbraw/zinc/50/39/32/569503932.db2.gz OOJVNKAZSTXKHH-UHFFFAOYSA-N 0 0 427.526 4.609 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1 ZINC000009125135 569504616 /nfs/dbraw/zinc/50/46/16/569504616.db2.gz VHNSGUMTNSSHHX-UHFFFAOYSA-N 0 0 446.503 4.679 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3C)cs2)cc1OC ZINC000009126215 569504887 /nfs/dbraw/zinc/50/48/87/569504887.db2.gz KPDQMLJBPUYWPO-UHFFFAOYSA-N 0 0 439.566 4.700 50 0 IJAARN Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000009126972 569505112 /nfs/dbraw/zinc/50/51/12/569505112.db2.gz LNRJYKAVNORRBQ-UHFFFAOYSA-N 0 0 442.342 4.989 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)cc1 ZINC000009128657 569505420 /nfs/dbraw/zinc/50/54/20/569505420.db2.gz FFGKRSUAUTWBQH-JOCHJYFZSA-N 0 0 446.532 4.551 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(=O)N5CCCCC5)c4)no3)CC2=O)cc1C ZINC000040451047 569506411 /nfs/dbraw/zinc/50/64/11/569506411.db2.gz CFLPEOJDTMIYOR-NRFANRHFSA-N 0 0 444.535 4.500 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cc1OC ZINC000040451197 569506453 /nfs/dbraw/zinc/50/64/53/569506453.db2.gz VMTLVXZCCQCAHJ-UHFFFAOYSA-N 0 0 434.467 4.895 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3cnc(-c4ccncc4)nc3-c3ccccc3)CC2)c1 ZINC000040455711 569506576 /nfs/dbraw/zinc/50/65/76/569506576.db2.gz NCPVEIXZRPNVII-UHFFFAOYSA-N 0 0 449.558 4.785 50 0 IJAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(COc4ccc(F)cc4)n3)c2)c1 ZINC000040488341 569506879 /nfs/dbraw/zinc/50/68/79/569506879.db2.gz YVNSFKAUVRYAKC-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN COc1ccc(C)cc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000009165897 569508821 /nfs/dbraw/zinc/50/88/21/569508821.db2.gz YYFHIYLBFMXQOW-UHFFFAOYSA-N 0 0 444.575 4.590 50 0 IJAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000009167250 569508998 /nfs/dbraw/zinc/50/89/98/569508998.db2.gz JQYZQNTUIIKAOI-UHFFFAOYSA-N 0 0 447.585 4.811 50 0 IJAARN Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009174415 569509627 /nfs/dbraw/zinc/50/96/27/569509627.db2.gz LEXAVTVXBALRQZ-UHFFFAOYSA-N 0 0 444.597 4.735 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000009175753 569509744 /nfs/dbraw/zinc/50/97/44/569509744.db2.gz NYSISGHLYBZQBM-DNVCBOLYSA-N 0 0 441.984 4.826 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000009186325 569510169 /nfs/dbraw/zinc/51/01/69/569510169.db2.gz LBSIVRQZIFZPFJ-UHFFFAOYSA-N 0 0 427.526 4.790 50 0 IJAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000009190396 569510572 /nfs/dbraw/zinc/51/05/72/569510572.db2.gz NBFLZARYEXYSEM-UHFFFAOYSA-N 0 0 445.592 4.840 50 0 IJAARN COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2OC)c1 ZINC000009191791 569510683 /nfs/dbraw/zinc/51/06/83/569510683.db2.gz GELGMULNIJPIAH-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 ZINC000009210283 569511623 /nfs/dbraw/zinc/51/16/23/569511623.db2.gz ZBPSKDXLTYZFEI-IBGZPJMESA-N 0 0 427.504 4.644 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)CCCC2 ZINC000009216804 569512172 /nfs/dbraw/zinc/51/21/72/569512172.db2.gz ODMNPMBJJASIDL-MRXNPFEDSA-N 0 0 433.581 4.523 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1cccnc1 ZINC000009220330 569512568 /nfs/dbraw/zinc/51/25/68/569512568.db2.gz YECFNXCNUVDAKD-NRFANRHFSA-N 0 0 429.549 4.559 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000009227703 569513458 /nfs/dbraw/zinc/51/34/58/569513458.db2.gz QIBDLUHHLPUUJM-QFIPXVFZSA-N 0 0 436.577 4.750 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1cccnc1)C3=O ZINC000009233386 569513873 /nfs/dbraw/zinc/51/38/73/569513873.db2.gz PEJCUCMXSXPYAG-NRFANRHFSA-N 0 0 432.863 4.601 50 0 IJAARN Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238360 569514295 /nfs/dbraw/zinc/51/42/95/569514295.db2.gz SFHQPJYHHRWPAC-SFTDATJTSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000009238313 569514298 /nfs/dbraw/zinc/51/42/98/569514298.db2.gz AXAHRYFXVOUNGJ-RTWAWAEBSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238364 569514301 /nfs/dbraw/zinc/51/43/01/569514301.db2.gz SFHQPJYHHRWPAC-NHCUHLMSSA-N 0 0 445.523 4.790 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239404 569514550 /nfs/dbraw/zinc/51/45/50/569514550.db2.gz OZYKHIBPMWUWLY-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl ZINC000009244837 569515164 /nfs/dbraw/zinc/51/51/64/569515164.db2.gz UWDWECKWLYDVCE-UHFFFAOYSA-N 0 0 428.322 4.677 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000009245697 569515363 /nfs/dbraw/zinc/51/53/63/569515363.db2.gz HUGYKXFLNJEQQZ-UHFFFAOYSA-N 0 0 445.592 4.856 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1 ZINC000009245840 569515418 /nfs/dbraw/zinc/51/54/18/569515418.db2.gz TUVFJXHVQZHCCM-LJQANCHMSA-N 0 0 439.899 4.879 50 0 IJAARN COc1cc([C@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)cc(OC)c1OC ZINC000009260541 569516937 /nfs/dbraw/zinc/51/69/37/569516937.db2.gz GWHPVEIGIFGCOT-OAHLLOKOSA-N 0 0 428.535 4.827 50 0 IJAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009268662 569517606 /nfs/dbraw/zinc/51/76/06/569517606.db2.gz HRBHYKXUVYZVFA-UHFFFAOYSA-N 0 0 440.565 4.610 50 0 IJAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(O)c(Br)c1 ZINC000069778423 569517724 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C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nnc(-c2ccccc2)o1 ZINC000009478348 569539288 /nfs/dbraw/zinc/53/92/88/569539288.db2.gz VXTWRHZCZKFZFG-JTQLQIEISA-N 0 0 433.324 4.869 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000009487196 569539716 /nfs/dbraw/zinc/53/97/16/569539716.db2.gz WGTIQMJBZMCVKS-QFIPXVFZSA-N 0 0 430.435 4.784 50 0 IJAARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC ZINC000009489849 569539992 /nfs/dbraw/zinc/53/99/92/569539992.db2.gz XBJJKTZOZJBORX-SDNWHVSQSA-N 0 0 428.488 4.890 50 0 IJAARN COC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000009491547 569540378 /nfs/dbraw/zinc/54/03/78/569540378.db2.gz DUUUBRNEFHOZIL-QGZVFWFLSA-N 0 0 444.645 4.991 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009496517 569541217 /nfs/dbraw/zinc/54/12/17/569541217.db2.gz UUUPLDVNNUREFN-LJQANCHMSA-N 0 0 438.329 4.585 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000009498469 569541374 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4.950 50 0 IJAARN O=C(Oc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1)c1cccc2ccccc21 ZINC000009763563 569566640 /nfs/dbraw/zinc/56/66/40/569566640.db2.gz ZEIGEGUMYJMJKH-JLPGSUDCSA-N 0 0 448.503 4.829 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000009767444 569566859 /nfs/dbraw/zinc/56/68/59/569566859.db2.gz DTMHLMDUMVOPCF-UHFFFAOYSA-N 0 0 441.487 4.549 50 0 IJAARN COc1cc2c(C(=O)N(C)c3cccc(Cl)c3)cn(CC(C)C)c(=O)c2cc1OC ZINC000009776676 569567082 /nfs/dbraw/zinc/56/70/82/569567082.db2.gz IERVPMJJBAAIDX-UHFFFAOYSA-N 0 0 428.916 4.605 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1cc2ccccc2o1 ZINC000009778439 569567236 /nfs/dbraw/zinc/56/72/36/569567236.db2.gz OSMDSPUVIYEDMN-AWEZNQCLSA-N 0 0 438.578 4.981 50 0 IJAARN Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778665 569567250 /nfs/dbraw/zinc/56/72/50/569567250.db2.gz YOKYVPSSSOWUNR-RTWAWAEBSA-N 0 0 434.854 4.540 50 0 IJAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000009789202 569568061 /nfs/dbraw/zinc/56/80/61/569568061.db2.gz DHQQPUYYNYIFGQ-UHFFFAOYSA-N 0 0 444.874 4.765 50 0 IJAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000009789128 569568083 /nfs/dbraw/zinc/56/80/83/569568083.db2.gz JJIFQHJUYCVPLA-SFHVURJKSA-N 0 0 435.574 4.689 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)N[C@H](c3cccs3)c3ccccc3)n[nH]2)cc1 ZINC000009789373 569568091 /nfs/dbraw/zinc/56/80/91/569568091.db2.gz UFKULSDABLNKSG-FQEVSTJZSA-N 0 0 436.562 4.540 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 ZINC000009795106 569568377 /nfs/dbraw/zinc/56/83/77/569568377.db2.gz BFQFWUUTAWVGQZ-UHFFFAOYSA-N 0 0 434.952 4.919 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c(C)s1 ZINC000009798537 569568579 /nfs/dbraw/zinc/56/85/79/569568579.db2.gz DELIYXHWMKRIOA-UHFFFAOYSA-N 0 0 426.611 4.907 50 0 IJAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009817936 569569267 /nfs/dbraw/zinc/56/92/67/569569267.db2.gz ZDOXELKZVLBNCJ-UHFFFAOYSA-N 0 0 428.492 4.510 50 0 IJAARN Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009824013 569569642 /nfs/dbraw/zinc/56/96/42/569569642.db2.gz LCJWPECXMOUHBI-UHFFFAOYSA-N 0 0 425.275 4.648 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccccc3)nn21)Nc1ccc(C(F)(F)F)cc1 ZINC000009829036 569569909 /nfs/dbraw/zinc/56/99/09/569569909.db2.gz IMNBSHBPATXALR-UHFFFAOYSA-N 0 0 429.427 4.541 50 0 IJAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(C(F)(F)F)cc3)co2)n1 ZINC000009829260 569570014 /nfs/dbraw/zinc/57/00/14/569570014.db2.gz JVTAHSXHLJFIPM-UHFFFAOYSA-N 0 0 436.411 4.577 50 0 IJAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(s2)c(OC)ccc3OC)cc1 ZINC000009829772 569570159 /nfs/dbraw/zinc/57/01/59/569570159.db2.gz BMZLJFUNZNPCSJ-UHFFFAOYSA-N 0 0 435.505 4.564 50 0 IJAARN COc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C)c2ccccc2)cc1Cl ZINC000009832088 569570284 /nfs/dbraw/zinc/57/02/84/569570284.db2.gz GWZMWKIYWRVMNO-SFHVURJKSA-N 0 0 428.945 4.827 50 0 IJAARN Cn1c(C(=O)N2CCC(C(=O)NCCCSC3CCCCC3)CC2)cc2sccc21 ZINC000009847828 569571175 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Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2)c1C ZINC000009931552 569573704 /nfs/dbraw/zinc/57/37/04/569573704.db2.gz DPOOCDPQYAKKMJ-QGZVFWFLSA-N 0 0 440.487 4.519 50 0 IJAARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000009942350 569574039 /nfs/dbraw/zinc/57/40/39/569574039.db2.gz TZVOHSNURPUJDL-QGZVFWFLSA-N 0 0 429.908 4.720 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccc(F)cc1 ZINC000009942379 569574047 /nfs/dbraw/zinc/57/40/47/569574047.db2.gz HZDBHLDPKDTPDI-HXUWFJFHSA-N 0 0 438.528 4.870 50 0 IJAARN O=C(CNc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)Nc1ccccc1 ZINC000009949103 569574219 /nfs/dbraw/zinc/57/42/19/569574219.db2.gz HVXGQVDYELROQF-UHFFFAOYSA-N 0 0 447.449 4.688 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1C ZINC000009950162 569574306 /nfs/dbraw/zinc/57/43/06/569574306.db2.gz DVNSQXNODOFPKD-UHFFFAOYSA-N 0 0 435.597 4.902 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(c4ccccc4)CC3)cc12 ZINC000009950198 569574328 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4.938 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1F ZINC000010316984 569580927 /nfs/dbraw/zinc/58/09/27/569580927.db2.gz MTWSFWKMQONLEK-UHFFFAOYSA-N 0 0 430.464 4.867 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000071787457 569581184 /nfs/dbraw/zinc/58/11/84/569581184.db2.gz GYZFWFABWGNQPD-GOSISDBHSA-N 0 0 431.529 4.899 50 0 IJAARN Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)c1 ZINC000010337126 569581216 /nfs/dbraw/zinc/58/12/16/569581216.db2.gz JJBOCXGMUDQVLG-LEWJYISDSA-N 0 0 449.301 4.935 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3cccc(C)c3)C(=S)N[C@@H]2c2cccc(C#N)c2)no1 ZINC000010355464 569581458 /nfs/dbraw/zinc/58/14/58/569581458.db2.gz PZPOYSRQNIVZFI-JOCHJYFZSA-N 0 0 443.532 4.512 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)CC1=O ZINC000010462092 569582468 /nfs/dbraw/zinc/58/24/68/569582468.db2.gz QCAPGRCXKBTNQY-HNNXBMFYSA-N 0 0 448.350 4.833 50 0 IJAARN O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)C(c1ccccc1)c1ccccc1 ZINC000010509397 569582555 /nfs/dbraw/zinc/58/25/55/569582555.db2.gz JZCCNZLFMHKIMO-UHFFFAOYSA-N 0 0 427.479 4.610 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c(C)c1C ZINC000010516898 569582725 /nfs/dbraw/zinc/58/27/25/569582725.db2.gz NKEJATQAHACJPH-UHFFFAOYSA-N 0 0 427.570 4.878 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000009147020 569583499 /nfs/dbraw/zinc/58/34/99/569583499.db2.gz DTTNWGHERVAOLY-UHFFFAOYSA-N 0 0 444.545 4.670 50 0 IJAARN c1ccc(-n2c(COCc3nc4cccnc4n3-c3ccccc3)nc3cccnc32)cc1 ZINC000021924861 569587191 /nfs/dbraw/zinc/58/71/91/569587191.db2.gz ZIZIPCALKINPPV-UHFFFAOYSA-N 0 0 432.487 4.871 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3c(C)noc3C)c2)n(-c2cccc(C)c2)n1 ZINC000025144658 569587274 /nfs/dbraw/zinc/58/72/74/569587274.db2.gz BEMREQCRPFNMBU-UHFFFAOYSA-N 0 0 444.491 4.882 50 0 IJAARN O=C(NCCCN1CCCC1=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023448846 569587291 /nfs/dbraw/zinc/58/72/91/569587291.db2.gz 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CC(C)c1ccc(OCc2cccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c2)cc1 ZINC000000653961 193873808 /nfs/dbraw/zinc/87/38/08/193873808.db2.gz OZEKAVSUJBHDDW-JOCHJYFZSA-N 0 0 438.421 4.810 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)cc1 ZINC000000650611 193872182 /nfs/dbraw/zinc/87/21/82/193872182.db2.gz QOHREESKVDKLOJ-UHFFFAOYSA-N 0 0 446.960 4.660 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)s1 ZINC000000654353 193874038 /nfs/dbraw/zinc/87/40/38/193874038.db2.gz ZRQAVNBKPLOBQF-HXUWFJFHSA-N 0 0 437.418 4.692 50 0 IJAARN O=C(c1cccc(COc2cccc3ccccc32)c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000000655386 193874383 /nfs/dbraw/zinc/87/43/83/193874383.db2.gz IAPXUQLMLYFMEP-HSZRJFAPSA-N 0 0 446.400 4.840 50 0 IJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000660169 193876002 /nfs/dbraw/zinc/87/60/02/193876002.db2.gz PQOCUHCSEXIMOG-UHFFFAOYSA-N 0 0 447.771 4.686 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000006177071 193888067 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0 443.478 4.576 50 0 IJAARN CC(=O)c1ccc(OC[C@H](O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1 ZINC000012516917 518397311 /nfs/dbraw/zinc/39/73/11/518397311.db2.gz IRPITKRXNLLWNK-KRWDZBQOSA-N 0 0 429.567 4.633 50 0 IJAARN CC(=O)c1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000012795844 518399299 /nfs/dbraw/zinc/39/92/99/518399299.db2.gz BOGJTTPLJZBIET-OAHLLOKOSA-N 0 0 442.309 4.995 50 0 IJAARN CC(=O)c1cccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 ZINC000012851851 518425889 /nfs/dbraw/zinc/42/58/89/518425889.db2.gz LGPWAWPGYFHOSQ-UHFFFAOYSA-N 0 0 429.398 4.532 50 0 IJAARN CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)s1 ZINC000021998664 518586597 /nfs/dbraw/zinc/58/65/97/518586597.db2.gz OOCYNEINNZBGHU-UHFFFAOYSA-N 0 0 448.591 4.635 50 0 IJAARN CC(C)(C)NC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)Cc1ccco1 ZINC000035808276 518738390 /nfs/dbraw/zinc/73/83/90/518738390.db2.gz DCUMMTRQJBKPCK-UHFFFAOYSA-N 0 0 439.581 4.880 50 0 IJAARN CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)N1CCOCC1 ZINC000022203826 518913359 /nfs/dbraw/zinc/91/33/59/518913359.db2.gz VSLJBRUOVBWFNV-YPLUBFQTSA-N 0 0 438.403 4.848 50 0 IJAARN CC(C)(C)c1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000035622716 519005384 /nfs/dbraw/zinc/00/53/84/519005384.db2.gz HMWYLJGLRBQWBV-NHCUHLMSSA-N 0 0 436.552 4.862 50 0 IJAARN C=CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)c(OCC=C)c1 ZINC000002081083 519013148 /nfs/dbraw/zinc/01/31/48/519013148.db2.gz AOSKFOCOYVOQOB-CPNJWEJPSA-N 0 0 440.293 4.923 50 0 IJAARN CC(C)(C)c1ccc(O)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1 ZINC000017361028 519037882 /nfs/dbraw/zinc/03/78/82/519037882.db2.gz RABJVBVTSCEUTG-UHFFFAOYSA-N 0 0 439.562 4.828 50 0 IJAARN CC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000035946119 519467326 /nfs/dbraw/zinc/46/73/26/519467326.db2.gz ZLZUDWFUCLKYMO-UHFFFAOYSA-N 0 0 437.490 4.832 50 0 IJAARN CC(C)C(=O)N1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc32)CC1 ZINC000012871548 519472431 /nfs/dbraw/zinc/47/24/31/519472431.db2.gz XQVGKMHNYYRRCX-UHFFFAOYSA-N 0 0 443.576 4.725 50 0 IJAARN CC(=O)N(c1nc(/C=C2\N=C(c3ccc(OC(C)C)cc3)OC2=O)cs1)c1ccccc1 ZINC000012770361 519474730 /nfs/dbraw/zinc/47/47/30/519474730.db2.gz YCCYDZZKMQISBO-BKUYFWCQSA-N 0 0 447.516 4.959 50 0 IJAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCc2ccccn2)cc1 ZINC000034675962 519576014 /nfs/dbraw/zinc/57/60/14/519576014.db2.gz UKETUKYARCDJCB-UHFFFAOYSA-N 0 0 433.527 4.659 50 0 IJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccc(F)cc2)C(=O)NC(C)C)c1 ZINC000035947452 519605655 /nfs/dbraw/zinc/60/56/55/519605655.db2.gz XEEVNFSUUQCSGO-UHFFFAOYSA-N 0 0 442.579 4.997 50 0 IJAARN CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)NC(C)(C)C ZINC000036048133 519636568 /nfs/dbraw/zinc/63/65/68/519636568.db2.gz GZAASBHMDQHSND-UHFFFAOYSA-N 0 0 433.556 4.696 50 0 IJAARN CC(=O)N1N=C(CSc2nnc(-c3ccccc3)n2-c2ccccc2)O[C@@H]1c1ccco1 ZINC000015861240 519638414 /nfs/dbraw/zinc/63/84/14/519638414.db2.gz NPRFQEYUBGBYSD-JOCHJYFZSA-N 0 0 445.504 4.510 50 0 IJAARN CC(C)CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000012867987 519647161 /nfs/dbraw/zinc/64/71/61/519647161.db2.gz LVZNFDFZAWKPME-PXNSSMCTSA-N 0 0 448.608 4.686 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1CN(C(=O)c2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042132 519659448 /nfs/dbraw/zinc/65/94/48/519659448.db2.gz UAFWSRPFNHSEEO-ZWKOTPCHSA-N 0 0 438.515 4.785 50 0 IJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000021858499 519661345 /nfs/dbraw/zinc/66/13/45/519661345.db2.gz BPYRTDDWAYLUFT-MHZLTWQESA-N 0 0 431.580 4.651 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000014253425 519675493 /nfs/dbraw/zinc/67/54/93/519675493.db2.gz SLZVQNWVTMBJEZ-UHFFFAOYSA-N 0 0 427.529 4.908 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3nc2SCc2ccccc2)cc1 ZINC000012520431 519723281 /nfs/dbraw/zinc/72/32/81/519723281.db2.gz HDVPAZDOTHHSFL-UHFFFAOYSA-N 0 0 430.533 4.926 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1 ZINC000035684581 519725351 /nfs/dbraw/zinc/72/53/51/519725351.db2.gz BNFOWEWQMZQUQF-GOSISDBHSA-N 0 0 437.887 4.642 50 0 IJAARN CC(=O)Nc1nc2ccc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2s1 ZINC000012323050 519753073 /nfs/dbraw/zinc/75/30/73/519753073.db2.gz NGZIZDCLKDRPAI-UHFFFAOYSA-N 0 0 449.363 4.524 50 0 IJAARN CC(=O)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000020310555 519758845 /nfs/dbraw/zinc/75/88/45/519758845.db2.gz RVORPEYXARCZBV-YVLHZVERSA-N 0 0 432.295 4.611 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000012550395 519798528 /nfs/dbraw/zinc/79/85/28/519798528.db2.gz YYPWUPMWGFMJDP-JOCHJYFZSA-N 0 0 430.483 4.762 50 0 IJAARN CC(C)[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000021449015 519818418 /nfs/dbraw/zinc/81/84/18/519818418.db2.gz NHEMCIURXIYXNY-DEOSSOPVSA-N 0 0 442.462 4.837 50 0 IJAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000012126217 519831038 /nfs/dbraw/zinc/83/10/38/519831038.db2.gz LJQUQXTWFPISLV-UHFFFAOYSA-N 0 0 439.519 4.876 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C2=O ZINC000021852227 519833756 /nfs/dbraw/zinc/83/37/56/519833756.db2.gz OPQYJHDGPWHOFE-DEOSSOPVSA-N 0 0 442.991 4.524 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398654 519836038 /nfs/dbraw/zinc/83/60/38/519836038.db2.gz SDDOIZFHVXCWSW-UHFFFAOYSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000024608543 519836895 /nfs/dbraw/zinc/83/68/95/519836895.db2.gz MHWXEHGFSDASMU-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000001142537 519878279 /nfs/dbraw/zinc/87/82/79/519878279.db2.gz KOQUOMHZGGKRIO-UHFFFAOYSA-N 0 0 425.710 4.859 50 0 IJAARN CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 ZINC000016750172 520108569 /nfs/dbraw/zinc/10/85/69/520108569.db2.gz BKBWFBNQCNJYMI-HSZRJFAPSA-N 0 0 435.520 4.944 50 0 IJAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OCC ZINC000035844997 520155301 /nfs/dbraw/zinc/15/53/01/520155301.db2.gz RJHCFQHXFVTWSH-JOCHJYFZSA-N 0 0 442.600 4.603 50 0 IJAARN CC1(C(=O)NCc2ccccc2)CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000035529998 520225832 /nfs/dbraw/zinc/22/58/32/520225832.db2.gz CCRWKLYELQNASM-UHFFFAOYSA-N 0 0 448.336 4.539 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1OCCC ZINC000018108815 520411598 /nfs/dbraw/zinc/41/15/98/520411598.db2.gz VLFUWHRPWORCQQ-OPAMFIHVSA-N 0 0 442.581 4.945 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033088167 520433555 /nfs/dbraw/zinc/43/35/55/520433555.db2.gz KKSOPLNXOJHJDT-QGZVFWFLSA-N 0 0 434.521 4.754 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1 ZINC000012434335 520457135 /nfs/dbraw/zinc/45/71/35/520457135.db2.gz UBSVTMPZHLWWKR-UHFFFAOYSA-N 0 0 445.563 4.885 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2csc(SC)n2)CC1 ZINC000012750845 520457939 /nfs/dbraw/zinc/45/79/39/520457939.db2.gz PQLMVMMMTXXKAL-UHFFFAOYSA-N 0 0 432.611 4.673 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000012591554 520464868 /nfs/dbraw/zinc/46/48/68/520464868.db2.gz NUCILQDJYNNGSS-UHFFFAOYSA-N 0 0 441.955 4.718 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)CCc2ccco2)CC1 ZINC000012299294 520465084 /nfs/dbraw/zinc/46/50/84/520465084.db2.gz OREWMRGPEYHAKH-UHFFFAOYSA-N 0 0 437.458 4.646 50 0 IJAARN CCCCN(CCC(=O)Nc1nnc(-c2ccccc2)s1)C(=O)c1ccccc1F ZINC000035700677 520486546 /nfs/dbraw/zinc/48/65/46/520486546.db2.gz IQBICBVEJLHCCH-UHFFFAOYSA-N 0 0 426.517 4.615 50 0 IJAARN CC1(C)C[C@H](C(=O)N2CCC(n3c(CCc4ccccc4)nc4cccnc43)CC2)CCO1 ZINC000012246749 520546035 /nfs/dbraw/zinc/54/60/35/520546035.db2.gz OIFZGOFMQPGKDB-OAQYLSRUSA-N 0 0 446.595 4.585 50 0 IJAARN CCCSCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021864039 520564820 /nfs/dbraw/zinc/56/48/20/520564820.db2.gz XPNKHWDJALGBIN-XMMPIXPASA-N 0 0 443.613 4.555 50 0 IJAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)oc1c3ncn(CCc2ccccc2)c1=O ZINC000012321944 520577538 /nfs/dbraw/zinc/57/75/38/520577538.db2.gz TXYLGZORIRPSGE-UHFFFAOYSA-N 0 0 441.487 4.892 50 0 IJAARN CCC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1 ZINC000012791942 520588095 /nfs/dbraw/zinc/58/80/95/520588095.db2.gz YRIWBOHHAVUTKK-CTBJKRMSSA-N 0 0 426.513 4.562 50 0 IJAARN CCOc1c(Br)cc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC ZINC000012775069 520591655 /nfs/dbraw/zinc/59/16/55/520591655.db2.gz STBIRUIVRPJNTG-UHFFFAOYSA-N 0 0 425.348 4.834 50 0 IJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NCc1ccccc1 ZINC000033013291 520613385 /nfs/dbraw/zinc/61/33/85/520613385.db2.gz PEUNGQHOYFKJQV-UHFFFAOYSA-N 0 0 443.503 4.806 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000021705591 520615952 /nfs/dbraw/zinc/61/59/52/520615952.db2.gz DVUKQWFREQQGRX-OPUMOTSWSA-N 0 0 445.462 4.835 50 0 IJAARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000033348820 520631986 /nfs/dbraw/zinc/63/19/86/520631986.db2.gz STOZPSSOEAUYBQ-HMAPJEAMSA-N 0 0 446.478 4.896 50 0 IJAARN CCOc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc(OCC)c1OCC ZINC000015950023 520659331 /nfs/dbraw/zinc/65/93/31/520659331.db2.gz JFLIXOIYRSLANS-UHFFFAOYSA-N 0 0 446.975 4.807 50 0 IJAARN CCOC(=O)CCCSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1C ZINC000035847491 520662528 /nfs/dbraw/zinc/66/25/28/520662528.db2.gz UXTFTRMRJXDITC-UHFFFAOYSA-N 0 0 441.553 4.695 50 0 IJAARN CCOc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Br)c1OC ZINC000012552020 520663247 /nfs/dbraw/zinc/66/32/47/520663247.db2.gz JVJREFADIMHOOH-UHFFFAOYSA-N 0 0 431.330 4.631 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c32)cc1 ZINC000035672400 520724101 /nfs/dbraw/zinc/72/41/01/520724101.db2.gz TVMCCLDBTLVFFM-UHFFFAOYSA-N 0 0 437.496 4.622 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCSc3ccccc32)c1 ZINC000012781480 520796537 /nfs/dbraw/zinc/79/65/37/520796537.db2.gz CZASRZQJWUAWHM-UHFFFAOYSA-N 0 0 439.002 4.513 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000021043924 520798520 /nfs/dbraw/zinc/79/85/20/520798520.db2.gz LZSWTMNWINMDSU-LJQANCHMSA-N 0 0 446.931 4.832 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000012687324 520804698 /nfs/dbraw/zinc/80/46/98/520804698.db2.gz SSUMVCRPRKBNMP-UHFFFAOYSA-N 0 0 448.585 4.544 50 0 IJAARN CCOc1ccc(-n2c(=S)n(CN3CCc4sccc4C3)nc2-c2ccncc2)cc1 ZINC000012513879 520831495 /nfs/dbraw/zinc/83/14/95/520831495.db2.gz MEMMQAXPBNWNOS-UHFFFAOYSA-N 0 0 449.605 4.941 50 0 IJAARN CCOc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4C)oc3C)c2C)cc1 ZINC000012415982 520841212 /nfs/dbraw/zinc/84/12/12/520841212.db2.gz XVBOBFDXVWNHIY-UHFFFAOYSA-N 0 0 432.480 4.603 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1 ZINC000017098466 520871506 /nfs/dbraw/zinc/87/15/06/520871506.db2.gz NYFFQJNSGBNJNS-UHFFFAOYSA-N 0 0 433.526 4.841 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O ZINC000021936136 520894048 /nfs/dbraw/zinc/89/40/48/520894048.db2.gz PIARNOIHFZJCTC-VQTJNVASSA-N 0 0 434.565 4.904 50 0 IJAARN CCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017307376 520910435 /nfs/dbraw/zinc/91/04/35/520910435.db2.gz KJKKMXKAWNILCS-HXUWFJFHSA-N 0 0 449.981 4.745 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)c(C)c1 ZINC000033009055 520917217 /nfs/dbraw/zinc/91/72/17/520917217.db2.gz LHOYEQYZIBUHRL-UHFFFAOYSA-N 0 0 434.565 4.933 50 0 IJAARN CCOc1ccc(CCNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1OCC ZINC000012792146 520952871 /nfs/dbraw/zinc/95/28/71/520952871.db2.gz QUPJLGZDHWBQHN-UHFFFAOYSA-N 0 0 427.932 4.604 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000015943585 520953189 /nfs/dbraw/zinc/95/31/89/520953189.db2.gz DBDRQJIDRPRNNL-PMERELPUSA-N 0 0 445.968 4.753 50 0 IJAARN CCOc1ccc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)cc1OCC ZINC000012577703 521055550 /nfs/dbraw/zinc/05/55/50/521055550.db2.gz DEMBOACYNVOQPE-UHFFFAOYSA-N 0 0 425.501 4.777 50 0 IJAARN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000035925862 521071768 /nfs/dbraw/zinc/07/17/68/521071768.db2.gz HBTFIRBXOPSKSE-IBGZPJMESA-N 0 0 446.599 4.558 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(C)C ZINC000036049661 521088094 /nfs/dbraw/zinc/08/80/94/521088094.db2.gz DUACRDILDIQBQR-UHFFFAOYSA-N 0 0 442.922 4.917 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)c(Cl)c3)c2C(C)C)C1 ZINC000035961413 521111880 /nfs/dbraw/zinc/11/18/80/521111880.db2.gz KOEMFIOHGYNXLU-CQSZACIVSA-N 0 0 438.355 4.718 50 0 IJAARN CCCC[C@H](CC)C(=O)N(CCOC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767706 521156247 /nfs/dbraw/zinc/15/62/47/521156247.db2.gz ONZGJUPLQXGFON-NRFANRHFSA-N 0 0 446.563 4.639 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(OC)c2)CC1 ZINC000035887646 521158601 /nfs/dbraw/zinc/15/86/01/521158601.db2.gz FOCAMGDKBXVEMD-QFIPXVFZSA-N 0 0 438.616 4.558 50 0 IJAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000033069330 521193840 /nfs/dbraw/zinc/19/38/40/521193840.db2.gz RHZUOIUUPLKXHD-UHFFFAOYSA-N 0 0 449.530 4.523 50 0 IJAARN CCOc1ccc([C@@H](CC(=O)NC2CCCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721322 521226350 /nfs/dbraw/zinc/22/63/50/521226350.db2.gz GKHZNXAQSOFQGW-JOCHJYFZSA-N 0 0 436.552 4.630 50 0 IJAARN CCC(=O)Nc1nc2ccc(CCC(=O)Nc3c(Cl)cc(OC)cc3OC)cc2s1 ZINC000032959477 521230027 /nfs/dbraw/zinc/23/00/27/521230027.db2.gz YTAUANOSSQJSSY-UHFFFAOYSA-N 0 0 447.944 4.887 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000012540318 521243691 /nfs/dbraw/zinc/24/36/91/521243691.db2.gz WHHAYMIXADWYDH-NRFANRHFSA-N 0 0 432.549 4.922 50 0 IJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c12 ZINC000011865509 521261075 /nfs/dbraw/zinc/26/10/75/521261075.db2.gz FGUAEYFKJLZFKD-UHFFFAOYSA-N 0 0 426.465 4.689 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccccc3)CC2)cc1 ZINC000035225987 521268686 /nfs/dbraw/zinc/26/86/86/521268686.db2.gz CRIRWEQIUJEVRO-UHFFFAOYSA-N 0 0 442.607 4.989 50 0 IJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891155 521276391 /nfs/dbraw/zinc/27/63/91/521276391.db2.gz KOBSJTFVFMFKAX-HXUWFJFHSA-N 0 0 436.562 4.964 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2F)C1 ZINC000033116275 521289695 /nfs/dbraw/zinc/28/96/95/521289695.db2.gz FTXYKBDBZSRJLK-INIZCTEOSA-N 0 0 440.540 4.802 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035866453 521314292 /nfs/dbraw/zinc/31/42/92/521314292.db2.gz GAGZEYPMGVHDFN-QGZVFWFLSA-N 0 0 428.646 4.853 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)Cc4ccccc4)CC2)n1)CCCC3 ZINC000035864950 521314314 /nfs/dbraw/zinc/31/43/14/521314314.db2.gz APRRZWJNYWLZCR-UHFFFAOYSA-N 0 0 448.636 4.804 50 0 IJAARN CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)N[C@@H](c2cc(OC)ccc2OC)[C@@H]1C ZINC000020806583 521321332 /nfs/dbraw/zinc/32/13/32/521321332.db2.gz GIMAZQRNBHQQHN-RLPFTAPJSA-N 0 0 429.557 4.664 50 0 IJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC3=O ZINC000012296568 521347648 /nfs/dbraw/zinc/34/76/48/521347648.db2.gz AFJANIIFFCUTEP-KRWDZBQOSA-N 0 0 438.476 4.786 50 0 biogenic IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)c1C ZINC000012814047 521362940 /nfs/dbraw/zinc/36/29/40/521362940.db2.gz JZZWDQDWXBCNAF-UHFFFAOYSA-N 0 0 446.960 4.715 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cc(C)ccc2OC)c1C ZINC000035447884 521367024 /nfs/dbraw/zinc/36/70/24/521367024.db2.gz LHFYFKCDRJGDDP-UHFFFAOYSA-N 0 0 439.512 4.953 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000021486610 521371294 /nfs/dbraw/zinc/37/12/94/521371294.db2.gz GJFRGKIRGOOJGG-ROUUACIJSA-N 0 0 444.597 4.646 50 0 IJAARN CCCc1cc(Sc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n2ncnc2n1 ZINC000033275980 521385712 /nfs/dbraw/zinc/38/57/12/521385712.db2.gz CXDFTYFEFDLTJN-UHFFFAOYSA-N 0 0 434.525 4.881 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1 ZINC000035399257 521406637 /nfs/dbraw/zinc/40/66/37/521406637.db2.gz CRPLVIRRBPZOAP-UHFFFAOYSA-N 0 0 435.593 4.844 50 0 biogenic IJAARN CCCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399292 521407313 /nfs/dbraw/zinc/40/73/13/521407313.db2.gz LESZDKTWBUKPSY-UHFFFAOYSA-N 0 0 439.556 4.674 50 0 biogenic IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(C2CCN(C(=O)c3ccc(C)cc3)CC2)n1 ZINC000023336490 521425544 /nfs/dbraw/zinc/42/55/44/521425544.db2.gz IBDXHGDGFZGHSQ-UHFFFAOYSA-N 0 0 447.535 4.521 50 0 IJAARN CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)CC(C)(C)C ZINC000036039739 521432036 /nfs/dbraw/zinc/43/20/36/521432036.db2.gz IUPZEEWNWNLKGT-UHFFFAOYSA-N 0 0 447.645 4.606 50 0 IJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N[C@@H](C)c1ccncc1 ZINC000005948089 521435363 /nfs/dbraw/zinc/43/53/63/521435363.db2.gz LDPLHBBRACIXCX-HNNXBMFYSA-N 0 0 425.579 4.958 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccccc1Sc1nc(Br)nn1CC ZINC000033036372 521463131 /nfs/dbraw/zinc/46/31/31/521463131.db2.gz JAGWNUGBCXWODO-UHFFFAOYSA-N 0 0 447.358 4.863 50 0 IJAARN CCOc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021858665 521481423 /nfs/dbraw/zinc/48/14/23/521481423.db2.gz OVVZWOBOHNCCNQ-MHZLTWQESA-N 0 0 447.579 4.617 50 0 IJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Br)cc1)n2CCOC ZINC000023330266 521532813 /nfs/dbraw/zinc/53/28/13/521532813.db2.gz XRAWQEUYEXFYLB-UHFFFAOYSA-N 0 0 449.370 4.914 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000032964074 521553827 /nfs/dbraw/zinc/55/38/27/521553827.db2.gz WKDASOROLNAAOL-QGZVFWFLSA-N 0 0 433.552 4.792 50 0 IJAARN CCOc1ccccc1Oc1c(C)oc2c(ccc3c2CN(C[C@H]2CCCO2)CO3)c1=O ZINC000012442636 521569143 /nfs/dbraw/zinc/56/91/43/521569143.db2.gz SUOZINHINFKQAJ-QGZVFWFLSA-N 0 0 437.492 4.623 50 0 biogenic IJAARN CCOC(=O)c1csc(CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)n1 ZINC000035752290 521590707 /nfs/dbraw/zinc/59/07/07/521590707.db2.gz QJKSERVZSKZAGB-UHFFFAOYSA-N 0 0 437.550 4.563 50 0 IJAARN CCOc1nc(-c2ccccc2C)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385212 521601417 /nfs/dbraw/zinc/60/14/17/521601417.db2.gz RHQBZFNFCOXEFK-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c1C ZINC000012520988 521621032 /nfs/dbraw/zinc/62/10/32/521621032.db2.gz QSIUHYFPRBZLSZ-UHFFFAOYSA-N 0 0 446.598 4.571 50 0 IJAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C ZINC000014358903 521667985 /nfs/dbraw/zinc/66/79/85/521667985.db2.gz CPSIISLJWLFAKQ-DEOSSOPVSA-N 0 0 449.572 4.652 50 0 IJAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2c1 ZINC000012624465 521691025 /nfs/dbraw/zinc/69/10/25/521691025.db2.gz LYZYHHWDWCHSSD-UHFFFAOYSA-N 0 0 445.349 4.659 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(Cl)sc1Cl ZINC000012917893 521693556 /nfs/dbraw/zinc/69/35/56/521693556.db2.gz ZRZDELCHJMOITQ-UHFFFAOYSA-N 0 0 430.744 4.997 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1coc2c1ccc(C)c2C ZINC000014570308 521693982 /nfs/dbraw/zinc/69/39/82/521693982.db2.gz SSIKUJTVQITJAX-UHFFFAOYSA-N 0 0 437.927 4.921 50 0 IJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000021892406 521711990 /nfs/dbraw/zinc/71/19/90/521711990.db2.gz SMZSLDGESGSFBF-QHCPKHFHSA-N 0 0 425.479 4.797 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)[C@@H](CC)c2ccccc2)c1 ZINC000035946394 521742986 /nfs/dbraw/zinc/74/29/86/521742986.db2.gz QXYOKHNYOQCFND-QHCPKHFHSA-N 0 0 436.600 4.826 50 0 IJAARN COC(=O)c1c(NC(=O)CNc2ccc(Br)cc2)sc2c1CCCCC2 ZINC000012624788 521765389 /nfs/dbraw/zinc/76/53/89/521765389.db2.gz UXYRXBAYAGYDKW-UHFFFAOYSA-N 0 0 437.359 4.617 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2CS[C@]3(c4ccc(Br)cc4)CCC(=O)N23)c1 ZINC000012754267 521765208 /nfs/dbraw/zinc/76/52/08/521765208.db2.gz VOMOFFSQEURLIP-NQIIRXRSSA-N 0 0 445.382 4.541 50 0 IJAARN COc1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc(OC)c1OC ZINC000015228253 521910087 /nfs/dbraw/zinc/91/00/87/521910087.db2.gz DEVZLPRJNGUJOL-UHFFFAOYSA-N 0 0 443.525 4.617 50 0 IJAARN CCc1ccccc1S(=O)(=O)N1CCC2(CC1)Nc1ccc(C)c(C)c1-n1cccc12 ZINC000035399384 521927560 /nfs/dbraw/zinc/92/75/60/521927560.db2.gz QRFYNKNVJNPSJW-UHFFFAOYSA-N 0 0 435.593 4.762 50 0 biogenic IJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CC[C@H](C)C3 ZINC000035865605 522056865 /nfs/dbraw/zinc/05/68/65/522056865.db2.gz HPMBAJIJUYLNQC-HOTGVXAUSA-N 0 0 426.630 4.778 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2sc(C)c(C)c2c1=O ZINC000012800450 522074905 /nfs/dbraw/zinc/07/49/05/522074905.db2.gz XEQXEAZSQWRMBM-MRXNPFEDSA-N 0 0 430.595 4.702 50 0 IJAARN COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 ZINC000012771006 522148288 /nfs/dbraw/zinc/14/82/88/522148288.db2.gz XVWUKEILLZWPBJ-SNVBAGLBSA-N 0 0 431.794 4.560 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000022855252 522255973 /nfs/dbraw/zinc/25/59/73/522255973.db2.gz UTTSQQBGLANJKX-UHFFFAOYSA-N 0 0 439.443 4.603 50 0 IJAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CCC3(CC1)OCCO3)n2Cc1ccccc1 ZINC000035562597 522273565 /nfs/dbraw/zinc/27/35/65/522273565.db2.gz ORVPVJYKPYTQDR-HXUWFJFHSA-N 0 0 448.563 4.846 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1ccc(OC(F)F)c(OC)c1 ZINC000012793348 522283402 /nfs/dbraw/zinc/28/34/02/522283402.db2.gz HFYQCGQYNSNTFE-CYBMUJFWSA-N 0 0 436.480 4.506 50 0 IJAARN COc1cc(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000012750746 522327057 /nfs/dbraw/zinc/32/70/57/522327057.db2.gz GHOGOHZKJHJLSF-UHFFFAOYSA-N 0 0 434.323 4.827 50 0 IJAARN CCc1nc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)cs1 ZINC000024007928 522371561 /nfs/dbraw/zinc/37/15/61/522371561.db2.gz USLUHTZHOXXDHW-CQSZACIVSA-N 0 0 447.651 4.827 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)NC(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035867308 522441116 /nfs/dbraw/zinc/44/11/16/522441116.db2.gz VXSOJTAOLKYTLL-JKSUJKDBSA-N 0 0 443.661 4.960 50 0 IJAARN COc1cc(Cl)c(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC ZINC000036394155 522528564 /nfs/dbraw/zinc/52/85/64/522528564.db2.gz KDJCNMKKSPFQHL-MSQNUCTKSA-N 0 0 448.991 4.653 50 0 IJAARN COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000012549144 522662188 /nfs/dbraw/zinc/66/21/88/522662188.db2.gz SYKQBVWZLGQPIW-HHNLSAEISA-N 0 0 449.551 4.554 50 0 IJAARN COc1cc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c(OC)cc1Cl ZINC000000986439 522737503 /nfs/dbraw/zinc/73/75/03/522737503.db2.gz NORXQKVEFZGHKZ-UHFFFAOYSA-N 0 0 426.369 4.530 50 0 IJAARN CN(CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12)c1ccccc1 ZINC000021153494 522757155 /nfs/dbraw/zinc/75/71/55/522757155.db2.gz WWWXHXSEAZDHFY-UHFFFAOYSA-N 0 0 440.569 4.718 50 0 IJAARN COc1cc(OC)c(N2C[C@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)cc1Cl ZINC000014739531 522795491 /nfs/dbraw/zinc/79/54/91/522795491.db2.gz NGNCXSVINRJKRM-OAHLLOKOSA-N 0 0 430.932 4.781 50 0 IJAARN CCc1nnc2c(Oc3ccc(NC(=O)c4ccccc4OC)cc3)nc3ccccc3n12 ZINC000035460982 522795916 /nfs/dbraw/zinc/79/59/16/522795916.db2.gz WTACPQWLXMNKRM-UHFFFAOYSA-N 0 0 439.475 4.893 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445627 522806545 /nfs/dbraw/zinc/80/65/45/522806545.db2.gz PMLIRXAIKLSFQX-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)c1 ZINC000009660224 522857647 /nfs/dbraw/zinc/85/76/47/522857647.db2.gz MHXNRRQSPDQJOH-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN COCc1cc(N2CCCC[C@H]2C)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000036061615 522927724 /nfs/dbraw/zinc/92/77/24/522927724.db2.gz IPXQFCVIOVGHOV-GOSISDBHSA-N 0 0 442.629 4.680 50 0 IJAARN CN(CCc1ccccc1)C(=O)c1nc2sccn2c1CNCc1ccc(Cl)s1 ZINC000012316220 522954179 /nfs/dbraw/zinc/95/41/79/522954179.db2.gz JUPBNLLJWMCDPX-UHFFFAOYSA-N 0 0 445.013 4.715 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1OCc1ccccc1 ZINC000020745891 522960896 /nfs/dbraw/zinc/96/08/96/522960896.db2.gz QGZSMAZTOWRQSR-LJQANCHMSA-N 0 0 441.491 4.682 50 0 IJAARN COc1cc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000012344747 522971021 /nfs/dbraw/zinc/97/10/21/522971021.db2.gz QQSUHOQWKQZHTA-NRFANRHFSA-N 0 0 441.915 4.804 50 0 IJAARN CC[C@H](c1nc2ccccc2c(=O)n1CC)N(CCOC)C(=O)Nc1ccc(Cl)cc1 ZINC000035688650 522977579 /nfs/dbraw/zinc/97/75/79/522977579.db2.gz RNWLCSYRFXOGAL-HXUWFJFHSA-N 0 0 442.947 4.701 50 0 IJAARN COc1cc2c(cc1NC(=O)CCCc1nc3ccccc3c(=O)[nH]1)oc1ccccc12 ZINC000015081149 523016413 /nfs/dbraw/zinc/01/64/13/523016413.db2.gz LDKUZPANPOSOAK-UHFFFAOYSA-N 0 0 427.460 4.793 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(NC(C)=O)cc1)oc1ccccc12 ZINC000009663570 523017770 /nfs/dbraw/zinc/01/77/70/523017770.db2.gz LNFIZEJTSFMGIX-AWEZNQCLSA-N 0 0 446.459 4.737 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036043125 523036386 /nfs/dbraw/zinc/03/63/86/523036386.db2.gz CNCJYVAOFAFYFB-NFQMXDRXSA-N 0 0 444.575 4.930 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1)N(Cc1ccccc1C)CC2 ZINC000036041044 523045491 /nfs/dbraw/zinc/04/54/91/523045491.db2.gz YYHXTQNVXMASIW-DEOSSOPVSA-N 0 0 430.548 4.542 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(Cc1ccc(F)cc1)CC2 ZINC000036040801 523046203 /nfs/dbraw/zinc/04/62/03/523046203.db2.gz XDEMKBZYXGCWMO-DEOSSOPVSA-N 0 0 448.538 4.681 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(C)cc1)N(Cc1ccc(F)cc1)CC2 ZINC000036040795 523046244 /nfs/dbraw/zinc/04/62/44/523046244.db2.gz JFPSPOFSVICVDI-DEOSSOPVSA-N 0 0 448.538 4.681 50 0 IJAARN CC[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000012106048 523085853 /nfs/dbraw/zinc/08/58/53/523085853.db2.gz RLIUTWDSOVZRRE-LJQANCHMSA-N 0 0 433.537 4.664 50 0 IJAARN CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Br)cc1 ZINC000012629823 523087234 /nfs/dbraw/zinc/08/72/34/523087234.db2.gz AQGSLOSITGQXMT-MRXNPFEDSA-N 0 0 431.359 4.754 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(F)c4)nc3n2)cc1 ZINC000021727639 523105514 /nfs/dbraw/zinc/10/55/14/523105514.db2.gz BQAYCVTUFHFTKJ-UHFFFAOYSA-N 0 0 445.376 4.519 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4Cl)nc3n2)cc1 ZINC000021727543 523107149 /nfs/dbraw/zinc/10/71/49/523107149.db2.gz CSMFOOISRKURGS-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN COC(=O)CCSc1cccc(NC(=O)c2c(Br)c3ccccc3n2C)c1 ZINC000089749546 523109093 /nfs/dbraw/zinc/10/90/93/523109093.db2.gz BMJRTVDTCSNQNS-UHFFFAOYSA-N 0 0 447.354 4.848 50 0 IJAARN COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000012790171 523114003 /nfs/dbraw/zinc/11/40/03/523114003.db2.gz FJBWPILCZYGCRT-INIZCTEOSA-N 0 0 434.492 4.581 50 0 IJAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccs3)n2)cc1OC ZINC000012442296 523158587 /nfs/dbraw/zinc/15/85/87/523158587.db2.gz WDFREOVGSQWOSO-UHFFFAOYSA-N 0 0 440.550 4.564 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccc(OC)c1)N2 ZINC000035823970 523164372 /nfs/dbraw/zinc/16/43/72/523164372.db2.gz SGTKAQYEFNTGPF-SZVBFZGTSA-N 0 0 436.478 4.957 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCc1cc(=O)c2cccc(C)c2[nH]1 ZINC000033064320 523199880 /nfs/dbraw/zinc/19/98/80/523199880.db2.gz FJWGAUKUHUBJMO-UHFFFAOYSA-N 0 0 440.956 4.973 50 0 IJAARN CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cc2C1 ZINC000012794736 523208367 /nfs/dbraw/zinc/20/83/67/523208367.db2.gz JJERGYOYEXWTBH-ZDUSSCGKSA-N 0 0 435.387 4.736 50 0 IJAARN COc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3-c3ccc(C)cc3)no2)cc1 ZINC000012735836 523213736 /nfs/dbraw/zinc/21/37/36/523213736.db2.gz WPAMYIKBPFMWPR-UHFFFAOYSA-N 0 0 448.552 4.527 50 0 IJAARN COc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1OC ZINC000021658171 523213836 /nfs/dbraw/zinc/21/38/36/523213836.db2.gz ZQECVMRTHZGLSZ-UHFFFAOYSA-N 0 0 447.520 4.859 50 0 IJAARN CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723304 523231203 /nfs/dbraw/zinc/23/12/03/523231203.db2.gz CLFJSJZYUMKLBY-UHFFFAOYSA-N 0 0 448.548 4.593 50 0 IJAARN CCn1c2c(nc(CCC(=O)Nc3ccc(C(C)C)cc3)c1=O)c(C)nn2-c1ccccc1 ZINC000021641146 523255391 /nfs/dbraw/zinc/25/53/91/523255391.db2.gz LZTBFQXYJYRXOW-UHFFFAOYSA-N 0 0 443.551 4.605 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000035319236 523305249 /nfs/dbraw/zinc/30/52/49/523305249.db2.gz YEGDMNXCXPKUDH-QGZVFWFLSA-N 0 0 443.301 4.877 50 0 IJAARN COc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2Cl)CCS3)cc1OC ZINC000012140702 523309004 /nfs/dbraw/zinc/30/90/04/523309004.db2.gz PKMRGYMKZVKOLW-UHFFFAOYSA-N 0 0 446.981 4.844 50 0 IJAARN COc1ccc(/C=C\C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000033284901 523430500 /nfs/dbraw/zinc/43/05/00/523430500.db2.gz WUHFSCFYFBWCOF-PEZBUJJGSA-N 0 0 442.559 4.651 50 0 IJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000036394132 523563449 /nfs/dbraw/zinc/56/34/49/523563449.db2.gz QZGGKKAESFTKGU-UHFFFAOYSA-N 0 0 436.471 4.517 50 0 IJAARN COc1ccc(C(=O)CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC ZINC000012753841 523578094 /nfs/dbraw/zinc/57/80/94/523578094.db2.gz HXTCWSALTFHPHH-QHCPKHFHSA-N 0 0 441.574 4.964 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909219 523606745 /nfs/dbraw/zinc/60/67/45/523606745.db2.gz DYBFGVQNXBGPQH-DEOSSOPVSA-N 0 0 444.531 4.576 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)CC(C)C)ccc2N(C)C)CC2CC2)cc1 ZINC000035946259 523617117 /nfs/dbraw/zinc/61/71/17/523617117.db2.gz TYXISMFSJAFPRP-UHFFFAOYSA-N 0 0 437.584 4.798 50 0 IJAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000012855521 523626944 /nfs/dbraw/zinc/62/69/44/523626944.db2.gz SKRWHSCUHJMBOE-HXUWFJFHSA-N 0 0 444.553 4.838 50 0 IJAARN CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000012127880 523710396 /nfs/dbraw/zinc/71/03/96/523710396.db2.gz PXZMDILEBCFLJB-UHFFFAOYSA-N 0 0 439.519 4.623 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2OC)cc1 ZINC000020617375 523876604 /nfs/dbraw/zinc/87/66/04/523876604.db2.gz YHKHVORXSBBZSJ-SGEDCAFJSA-N 0 0 443.503 4.684 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3ccccc3F)cc2Sc2ccccc2C1=O ZINC000021355413 523888991 /nfs/dbraw/zinc/88/89/91/523888991.db2.gz DZQWQNOEORFTER-UHFFFAOYSA-N 0 0 436.508 4.765 50 0 IJAARN CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 ZINC000005950109 523896349 /nfs/dbraw/zinc/89/63/49/523896349.db2.gz SCMATLACQQXDBC-UHFFFAOYSA-N 0 0 427.548 4.772 50 0 IJAARN CC[C@H](C)N(Cc1cc(NC(=O)COC)ccc1N(C)C)C(=O)[C@@H](CC)c1ccccc1 ZINC000035945495 523942442 /nfs/dbraw/zinc/94/24/42/523942442.db2.gz GDTOVSNUMJKUCS-CVDCTZTESA-N 0 0 439.600 4.658 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000021024693 523974117 /nfs/dbraw/zinc/97/41/17/523974117.db2.gz CQECDEHZDDCUOQ-UHFFFAOYSA-N 0 0 442.943 4.795 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000020559351 523975741 /nfs/dbraw/zinc/97/57/41/523975741.db2.gz UEKRSJSTNYJVGD-FQEVSTJZSA-N 0 0 427.932 4.724 50 0 IJAARN COc1ccc(CCOc2nc(-c3ccco3)n(-c3ccc(NC(=O)C(C)C)cc3)n2)cc1 ZINC000037385483 523980150 /nfs/dbraw/zinc/98/01/50/523980150.db2.gz RACHJWJQTRSBBJ-UHFFFAOYSA-N 0 0 446.507 4.752 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000035871321 523996431 /nfs/dbraw/zinc/99/64/31/523996431.db2.gz XSSHRPPOIVBOPI-GJULWVSJSA-N 0 0 449.492 4.627 50 0 IJAARN CCc1ccc(OCc2nnc(S[C@@H]3C[C@@H](C)OC3=O)n2[C@@H](C)c2ccccc2)cc1 ZINC000012617654 524007921 /nfs/dbraw/zinc/00/79/21/524007921.db2.gz CJVCLAWJWVRISO-LLGFUMIMSA-N 0 0 437.565 4.825 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000035399381 524011772 /nfs/dbraw/zinc/01/17/72/524011772.db2.gz AACISVQZFXVPLP-UHFFFAOYSA-N 0 0 435.593 4.762 50 0 biogenic IJAARN COC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)c2ccc(Cl)cc2)C2CCCCC2)c1C ZINC000036000830 524022289 /nfs/dbraw/zinc/02/22/89/524022289.db2.gz AMGFSBXHPPYRNR-UHFFFAOYSA-N 0 0 430.932 4.729 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN31)C(=O)N2 ZINC000012130185 524059449 /nfs/dbraw/zinc/05/94/49/524059449.db2.gz HPNHTGFEJNSXNI-ZEQKJWHPSA-N 0 0 425.488 4.606 50 0 IJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc(Br)cc2)c1 ZINC000035170896 524061879 /nfs/dbraw/zinc/06/18/79/524061879.db2.gz VHAQSFWFXQBCPF-GOSISDBHSA-N 0 0 438.325 4.814 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000012850595 524068250 /nfs/dbraw/zinc/06/82/50/524068250.db2.gz GDDXHQCCFBUNQF-UXHICEINSA-N 0 0 444.457 4.790 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)nn2)c1 ZINC000035398419 524108744 /nfs/dbraw/zinc/10/87/44/524108744.db2.gz JYNHKMRZYGPLAX-VWLOTQADSA-N 0 0 426.564 4.862 50 0 IJAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)c1 ZINC000012586941 524113775 /nfs/dbraw/zinc/11/37/75/524113775.db2.gz MIEFFGVNPJOAIC-DEOSSOPVSA-N 0 0 434.492 4.832 50 0 IJAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000035889895 524118614 /nfs/dbraw/zinc/11/86/14/524118614.db2.gz MAKMVDCERSFSCH-UHFFFAOYSA-N 0 0 432.543 4.985 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021850973 524119620 /nfs/dbraw/zinc/11/96/20/524119620.db2.gz JRUCHKJJPKGRHY-AREMUKBSSA-N 0 0 446.551 4.628 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862666 524119889 /nfs/dbraw/zinc/11/98/89/524119889.db2.gz MCCLHBGQBYFETL-HHHXNRCGSA-N 0 0 444.579 4.533 50 0 IJAARN Cc1cccc(-c2nc3nc(C)cc(N4CCN(c5cc(Cl)ccc5C)CC4)n3n2)c1 ZINC000021089439 524120362 /nfs/dbraw/zinc/12/03/62/524120362.db2.gz AWGOCNSSRMTEHR-UHFFFAOYSA-N 0 0 432.959 4.697 50 0 IJAARN Cc1cccc(-c2nccc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)n2)c1 ZINC000035502287 524122740 /nfs/dbraw/zinc/12/27/40/524122740.db2.gz ZHLPYMBRHHYEKR-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)c1OCc1ccccc1Cl ZINC000021788377 524130410 /nfs/dbraw/zinc/13/04/10/524130410.db2.gz MAFXEAZKRGHXKC-FQEVSTJZSA-N 0 0 429.929 4.734 50 0 IJAARN C[C@@H]1CCCC[C@@H]1N1CC(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000020678403 524132428 /nfs/dbraw/zinc/13/24/28/524132428.db2.gz IFAMPEKMURVOMQ-HNKPZJSLSA-N 0 0 428.935 4.970 50 0 IJAARN Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)n2)c1 ZINC000012415721 524134078 /nfs/dbraw/zinc/13/40/78/524134078.db2.gz JKKSTIIUHSKESH-UHFFFAOYSA-N 0 0 430.489 4.689 50 0 IJAARN COc1ccc(C[C@@H](C)NC(=O)C(=O)c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000012401826 524135390 /nfs/dbraw/zinc/13/53/90/524135390.db2.gz IIABEDGOGRNQMW-GOSISDBHSA-N 0 0 426.516 4.784 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4nc5ccccc5s4)cc3o2)cc1 ZINC000012457402 524165615 /nfs/dbraw/zinc/16/56/15/524165615.db2.gz DLHKPQDRZVQMJC-UHFFFAOYSA-N 0 0 429.501 4.967 50 0 IJAARN Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)c1 ZINC000017122562 524166443 /nfs/dbraw/zinc/16/64/43/524166443.db2.gz IXSCYYIXORHBJD-JOCHJYFZSA-N 0 0 435.321 4.941 50 0 IJAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000020892554 524187424 /nfs/dbraw/zinc/18/74/24/524187424.db2.gz APHAZDVBGODYEL-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN COc1cccc([C@H]2[C@H](C(=O)N(C)Cc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928085 524188780 /nfs/dbraw/zinc/18/87/80/524188780.db2.gz QWMVUEQIUIGFMP-FTJBHMTQSA-N 0 0 440.543 4.797 50 0 IJAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1c2ccccc2nc1SCc1ccccc1 ZINC000012520434 524210943 /nfs/dbraw/zinc/21/09/43/524210943.db2.gz QXOMGQPXJIMGJK-KRWDZBQOSA-N 0 0 445.544 4.935 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000012433843 524222038 /nfs/dbraw/zinc/22/20/38/524222038.db2.gz XGMVDWPIMWACKL-MRXNPFEDSA-N 0 0 426.948 4.856 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(SC)C(c1ccccc1)=N2 ZINC000020578550 524234309 /nfs/dbraw/zinc/23/43/09/524234309.db2.gz RHSZONITOIEFSK-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000012139670 524242011 /nfs/dbraw/zinc/24/20/11/524242011.db2.gz XYIDVBIVYKDXJX-LJQANCHMSA-N 0 0 443.576 4.559 50 0 IJAARN COc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c(C)o1 ZINC000012415838 524279802 /nfs/dbraw/zinc/27/98/02/524279802.db2.gz KRCVWLABMSSLJT-UHFFFAOYSA-N 0 0 432.480 4.522 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000016695656 524280163 /nfs/dbraw/zinc/28/01/63/524280163.db2.gz VBYPLWXQCSEYKC-UHFFFAOYSA-N 0 0 442.441 4.829 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000035399661 524283943 /nfs/dbraw/zinc/28/39/43/524283943.db2.gz VIGUQZZQTSKRHA-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN Cc1cc(C)c(NC(=O)CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000012884712 524286203 /nfs/dbraw/zinc/28/62/03/524286203.db2.gz KDCXOSQTEZCFGC-UHFFFAOYSA-N 0 0 425.916 4.608 50 0 IJAARN Cc1cc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccc(F)cc4)s3)[nH]c2c1 ZINC000021099251 524342986 /nfs/dbraw/zinc/34/29/86/524342986.db2.gz GUUIWVKBVDQXRI-UHFFFAOYSA-N 0 0 440.525 4.680 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000032985998 524350554 /nfs/dbraw/zinc/35/05/54/524350554.db2.gz NUDDNFDDYOZLDK-UHFFFAOYSA-N 0 0 437.613 4.912 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017986619 524375412 /nfs/dbraw/zinc/37/54/12/524375412.db2.gz YTCLHUBKKIDIGF-FASAQXTFSA-N 0 0 442.309 4.594 50 0 IJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000035910940 524390268 /nfs/dbraw/zinc/39/02/68/524390268.db2.gz YJOFHQWVWFQCGT-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012315726 524392364 /nfs/dbraw/zinc/39/23/64/524392364.db2.gz KEIUCXXTZJJNSM-LJQANCHMSA-N 0 0 426.532 4.733 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccccc2F)C(C)C)o1 ZINC000035809301 524414393 /nfs/dbraw/zinc/41/43/93/524414393.db2.gz PMTNGTQGDDQUNS-UHFFFAOYSA-N 0 0 436.527 4.849 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)COCc2ccccc2)C(C)C)o1 ZINC000035765849 524418792 /nfs/dbraw/zinc/41/87/92/524418792.db2.gz WGSWPRWPLBVQER-UHFFFAOYSA-N 0 0 448.563 4.571 50 0 IJAARN COc1ccccc1CN(C)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000012762336 524430141 /nfs/dbraw/zinc/43/01/41/524430141.db2.gz MAVQWESVPVUYCN-UHFFFAOYSA-N 0 0 447.564 4.521 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021855665 524432732 /nfs/dbraw/zinc/43/27/32/524432732.db2.gz MLYHEVVQMZJOHG-MHZLTWQESA-N 0 0 429.564 4.813 50 0 IJAARN COc1ccccc1CNC(=O)[C@@H](C)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012772202 524471991 /nfs/dbraw/zinc/47/19/91/524471991.db2.gz CMSQLGHDDDWAAZ-OAHLLOKOSA-N 0 0 444.000 4.843 50 0 IJAARN Cc1ccc(CNC(=O)CSc2ncnc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000033298689 524509840 /nfs/dbraw/zinc/50/98/40/524509840.db2.gz HQVXKXGHLRXCNP-UHFFFAOYSA-N 0 0 441.354 4.591 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1Cl ZINC000012444172 524526863 /nfs/dbraw/zinc/52/68/63/524526863.db2.gz DPUQYJSKXASHKU-UHFFFAOYSA-N 0 0 432.954 4.961 50 0 IJAARN Cc1cccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c1C ZINC000012649646 524580268 /nfs/dbraw/zinc/58/02/68/524580268.db2.gz SWIQVXBJCXDEOD-XBLGPDGASA-N 0 0 429.362 4.592 50 0 IJAARN COc1ccccc1NC(=O)N(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000035948987 524605855 /nfs/dbraw/zinc/60/58/55/524605855.db2.gz LJXLDTRDSKKCQQ-HXUWFJFHSA-N 0 0 448.548 4.598 50 0 IJAARN COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000012344076 524612060 /nfs/dbraw/zinc/61/20/60/524612060.db2.gz GOKIGZHVOIJDKY-HXUWFJFHSA-N 0 0 426.314 4.896 50 0 IJAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000012539424 524618447 /nfs/dbraw/zinc/61/84/47/524618447.db2.gz XIGQMELUGPSICE-GFCCVEGCSA-N 0 0 432.343 4.967 50 0 IJAARN Cc1ccc(COc2ccc(Cl)cc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000022241941 524628567 /nfs/dbraw/zinc/62/85/67/524628567.db2.gz PHARLYLCOJQLJD-XKZIYDEJSA-N 0 0 432.932 4.998 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN3C(=O)CSc4nc(C)cc(C)c43)cc2)cc1 ZINC000021872623 524630389 /nfs/dbraw/zinc/63/03/89/524630389.db2.gz DRQGWNWPWDREEC-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000012592335 524652305 /nfs/dbraw/zinc/65/23/05/524652305.db2.gz PAMNDVOOJHDGHF-CVEARBPZSA-N 0 0 442.610 4.908 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCCn2c3ccccc3oc2=O)c1 ZINC000021247886 524662269 /nfs/dbraw/zinc/66/22/69/524662269.db2.gz IUSYTWWYHTVFCV-UHFFFAOYSA-N 0 0 429.476 4.574 50 0 IJAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000035769072 524692145 /nfs/dbraw/zinc/69/21/45/524692145.db2.gz WTDHYIZBVKDPFN-UHFFFAOYSA-N 0 0 428.580 4.656 50 0 IJAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2C1 ZINC000032914266 524719122 /nfs/dbraw/zinc/71/91/22/524719122.db2.gz CSOFALOIPUANFC-GOSISDBHSA-N 0 0 429.564 4.849 50 0 IJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000001015543 524728088 /nfs/dbraw/zinc/72/80/88/524728088.db2.gz UFWJIHZDZGUQTC-CYBMUJFWSA-N 0 0 429.289 4.723 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(c2nnc(Cc3cccnc3)c3ccccc32)CC1 ZINC000020859935 524738066 /nfs/dbraw/zinc/73/80/66/524738066.db2.gz YODAJLJDXGJIGX-UHFFFAOYSA-N 0 0 429.955 4.904 50 0 IJAARN COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)C1 ZINC000012162565 524750843 /nfs/dbraw/zinc/75/08/43/524750843.db2.gz IXLLIMGRBARQMH-YKSBVNFPSA-N 0 0 444.579 4.835 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCOCC1 ZINC000016425370 524754960 /nfs/dbraw/zinc/75/49/60/524754960.db2.gz SIFDGHCQMDFZAW-UHFFFAOYSA-N 0 0 439.899 4.583 50 0 IJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)no2)c1 ZINC000036011856 524791553 /nfs/dbraw/zinc/79/15/53/524791553.db2.gz CRFSMZQOEVTFON-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012739113 524876899 /nfs/dbraw/zinc/87/68/99/524876899.db2.gz INSMUWBXVWCOJN-LPHOPBHVSA-N 0 0 442.544 4.609 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012869514 524896654 /nfs/dbraw/zinc/89/66/54/524896654.db2.gz WGLXGAOYIRKZGY-INIZCTEOSA-N 0 0 449.878 4.902 50 0 IJAARN Cc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)c1 ZINC000012080444 524899268 /nfs/dbraw/zinc/89/92/68/524899268.db2.gz DVEVMWXPKKJDAV-ISKFKSNPSA-N 0 0 433.533 4.609 50 0 IJAARN Cc1ccc(N(Cc2ccccc2)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000012852734 524900379 /nfs/dbraw/zinc/90/03/79/524900379.db2.gz SUYPZZDCYPSSLG-DCFHFQCYSA-N 0 0 447.579 4.665 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012572779 524904746 /nfs/dbraw/zinc/90/47/46/524904746.db2.gz LWIJVOYZXXCDSK-UHFFFAOYSA-N 0 0 443.971 4.832 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000035910967 524920601 /nfs/dbraw/zinc/92/06/01/524920601.db2.gz RYABNWYMQARNQM-QHCPKHFHSA-N 0 0 438.574 4.883 50 0 IJAARN C[C@@H](Cc1ccco1)NC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021522914 524925704 /nfs/dbraw/zinc/92/57/04/524925704.db2.gz IBGUAPUQMZZHRG-IBGZPJMESA-N 0 0 434.565 4.627 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000021850980 524931863 /nfs/dbraw/zinc/93/18/63/524931863.db2.gz BFPHVYBNEFBDDZ-AREMUKBSSA-N 0 0 446.551 4.628 50 0 IJAARN Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)CCc3cccs3)nc12 ZINC000012124416 524937428 /nfs/dbraw/zinc/93/74/28/524937428.db2.gz BGLDPFVCRUIUNW-UHFFFAOYSA-N 0 0 434.540 5.000 50 0 IJAARN C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cc2ccccc2o1 ZINC000022316856 524970959 /nfs/dbraw/zinc/97/09/59/524970959.db2.gz ZLVYSXRCWPYUPW-LBPRGKRZSA-N 0 0 431.366 4.814 50 0 IJAARN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)/C=C/c3cccs3)c(N(C)C)nc12 ZINC000012028566 524972317 /nfs/dbraw/zinc/97/23/17/524972317.db2.gz KHDFHUFIJDQSNS-VIOKTNGOSA-N 0 0 435.593 4.892 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1 ZINC000020899942 524986369 /nfs/dbraw/zinc/98/63/69/524986369.db2.gz GNNKZQFBKVBZTQ-LJQANCHMSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccccc1 ZINC000035848018 525024821 /nfs/dbraw/zinc/02/48/21/525024821.db2.gz JRADSJQOCDMJCQ-UHFFFAOYSA-N 0 0 428.561 4.575 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909496 525062726 /nfs/dbraw/zinc/06/27/26/525062726.db2.gz LJVVGNBELRTNEK-CQSZACIVSA-N 0 0 440.421 4.666 50 0 IJAARN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)C1=O ZINC000012770349 525067293 /nfs/dbraw/zinc/06/72/93/525067293.db2.gz HBESVEGYMXWVRG-CYBMUJFWSA-N 0 0 427.913 4.606 50 0 IJAARN Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035890279 525077202 /nfs/dbraw/zinc/07/72/02/525077202.db2.gz SKVMIFUTJHOXSN-UHFFFAOYSA-N 0 0 444.432 4.572 50 0 IJAARN C[C@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2NC1=O ZINC000015640581 525078348 /nfs/dbraw/zinc/07/83/48/525078348.db2.gz BOOWARFYUHIFBC-LLVKDONJSA-N 0 0 432.427 4.576 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2)cc1 ZINC000012323056 525092515 /nfs/dbraw/zinc/09/25/15/525092515.db2.gz ZTMFXTXHUFHTCW-UHFFFAOYSA-N 0 0 426.538 4.780 50 0 IJAARN C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000012695041 525117736 /nfs/dbraw/zinc/11/77/36/525117736.db2.gz MCSODEXBPXFAIU-QGZVFWFLSA-N 0 0 432.911 4.844 50 0 IJAARN COc1ccc([C@@H](C)N(C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)cc1 ZINC000012433549 525129931 /nfs/dbraw/zinc/12/99/31/525129931.db2.gz XTPYMCPVXCARFM-HXUWFJFHSA-N 0 0 434.584 4.861 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c(Cl)c1 ZINC000021103996 525134112 /nfs/dbraw/zinc/13/41/12/525134112.db2.gz FDCIYTGKCAUVEW-UHFFFAOYSA-N 0 0 437.906 4.943 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855863 525134273 /nfs/dbraw/zinc/13/42/73/525134273.db2.gz JFYUZXYPQYCOGB-HHHXNRCGSA-N 0 0 429.564 4.813 50 0 IJAARN C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)[C@@H](c1ccccc1)N1CCOCC1 ZINC000012781431 525139981 /nfs/dbraw/zinc/13/99/81/525139981.db2.gz NFNIPJBICOBPEU-WINIVTDRSA-N 0 0 428.532 4.707 50 0 IJAARN C[C@H](NC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035981579 525182522 /nfs/dbraw/zinc/18/25/22/525182522.db2.gz GHKUNTWXGFICKW-UIGMVMNFSA-N 0 0 440.971 4.965 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2c[nH]c3ccccc32)cc1 ZINC000012806555 525184175 /nfs/dbraw/zinc/18/41/75/525184175.db2.gz ZAKRIQPHAIPLHM-OAQYLSRUSA-N 0 0 429.520 4.886 50 0 IJAARN C[C@@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000022796609 525190158 /nfs/dbraw/zinc/19/01/58/525190158.db2.gz ZVJFLTLRDFVZJN-YKSBVNFPSA-N 0 0 440.657 4.627 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1F ZINC000021863125 525198884 /nfs/dbraw/zinc/19/88/84/525198884.db2.gz ZNCGEGWKDRIQOA-AREMUKBSSA-N 0 0 449.526 4.751 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccco1 ZINC000021781919 525200443 /nfs/dbraw/zinc/20/04/43/525200443.db2.gz LTVZSOOUHNQNJP-AREMUKBSSA-N 0 0 449.551 4.637 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)c3ccco3)[C@H](C)C2)cc2ccsc21 ZINC000035844183 525209812 /nfs/dbraw/zinc/20/98/12/525209812.db2.gz ZJBHZELRLRICFT-GOSISDBHSA-N 0 0 447.560 4.639 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000021780772 525212799 /nfs/dbraw/zinc/21/27/99/525212799.db2.gz FHQMKNYBJVUWCC-RUZDIDTESA-N 0 0 447.922 4.619 50 0 IJAARN C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Br ZINC000012777405 525214759 /nfs/dbraw/zinc/21/47/59/525214759.db2.gz DGSKDIXTOQMYIN-CQSZACIVSA-N 0 0 442.313 4.855 50 0 IJAARN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000022024919 525217645 /nfs/dbraw/zinc/21/76/45/525217645.db2.gz XWLHHNGTTZNNKY-UHFFFAOYSA-N 0 0 442.349 4.741 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1Cl ZINC000012623536 525240148 /nfs/dbraw/zinc/24/01/48/525240148.db2.gz DQAIPUOIFQXILX-UHFFFAOYSA-N 0 0 436.867 4.980 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Br)cc2)c(OC)c1 ZINC000015829818 525244925 /nfs/dbraw/zinc/24/49/25/525244925.db2.gz LJHLJIQXGGTLGK-SFHVURJKSA-N 0 0 436.371 4.922 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)nc3onc(C)c32)c(OC)c1 ZINC000023313278 525247129 /nfs/dbraw/zinc/24/71/29/525247129.db2.gz FMTWCINFTIABSF-IBGZPJMESA-N 0 0 433.464 4.786 50 0 IJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000012273718 525269803 /nfs/dbraw/zinc/26/98/03/525269803.db2.gz LUAVTRBXZMSOJP-LVXARBLLSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc([C@H](CNC(=O)Cc2ccc(OC)c(OC)c2)c2c[nH]c3ccccc32)cc1 ZINC000023573183 525356660 /nfs/dbraw/zinc/35/66/60/525356660.db2.gz OSVJPMFVZPAVGR-QFIPXVFZSA-N 0 0 444.531 4.685 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2nc(-c3cccs3)no2)Cc2ccccc2)cc1OC ZINC000012371225 525358929 /nfs/dbraw/zinc/35/89/29/525358929.db2.gz UZCPHAZHUHUVRN-SFHVURJKSA-N 0 0 449.532 4.572 50 0 IJAARN COc1ccc([C@H]2CCCN2CCS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000015518882 525414674 /nfs/dbraw/zinc/41/46/74/525414674.db2.gz VDHWYTIXULXMMQ-GOSISDBHSA-N 0 0 444.380 4.621 50 0 IJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000012914499 525414830 /nfs/dbraw/zinc/41/48/30/525414830.db2.gz JGKPEDRGYGTFPF-MRXNPFEDSA-N 0 0 430.751 4.637 50 0 IJAARN Cc1ccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1C ZINC000022215365 525425538 /nfs/dbraw/zinc/42/55/38/525425538.db2.gz MABGLGXXAGIJAB-JLPGSUDCSA-N 0 0 442.540 4.532 50 0 IJAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000000865304 525426613 /nfs/dbraw/zinc/42/66/13/525426613.db2.gz ZQQYJBOQBVGPFO-SJLPKXTDSA-N 0 0 432.402 4.510 50 0 IJAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000012389484 525429756 /nfs/dbraw/zinc/42/97/56/525429756.db2.gz JBPWVNJEXZUUBK-UHFFFAOYSA-N 0 0 441.591 4.873 50 0 IJAARN Cc1cc(SCC(=O)NCc2ccccc2Cl)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268946 525433790 /nfs/dbraw/zinc/43/37/90/525433790.db2.gz KWLKIHXXGUVYOM-UHFFFAOYSA-N 0 0 440.931 4.906 50 0 IJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000036394236 525467291 /nfs/dbraw/zinc/46/72/91/525467291.db2.gz RVMUMWUJMCPFMA-UHFFFAOYSA-N 0 0 444.560 4.862 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)NC4CCCCCC4)ccc32)cc1 ZINC000020889391 525536984 /nfs/dbraw/zinc/53/69/84/525536984.db2.gz BRHUBBJOFWCERB-UHFFFAOYSA-N 0 0 426.582 4.589 50 0 IJAARN Cc1c(C(=O)N(C)CCc2ccccn2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000012513024 525556571 /nfs/dbraw/zinc/55/65/71/525556571.db2.gz LCNRWDCFDIWNPL-HNNXBMFYSA-N 0 0 437.594 4.944 50 0 IJAARN Cc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C(C)(C)C)c3ccccc31)OCCCO2 ZINC000021723351 525605272 /nfs/dbraw/zinc/60/52/72/525605272.db2.gz MAYFCVJUXZUZNF-UHFFFAOYSA-N 0 0 434.536 4.656 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3)nc2c1 ZINC000033068027 525607547 /nfs/dbraw/zinc/60/75/47/525607547.db2.gz JBIGLYIIMBAORS-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(C)c3)cc2)cc1 ZINC000035910494 525609750 /nfs/dbraw/zinc/60/97/50/525609750.db2.gz UIQWGHSTNDPSHB-QHCPKHFHSA-N 0 0 438.574 4.883 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910251 525614715 /nfs/dbraw/zinc/61/47/15/525614715.db2.gz MOZALBPPNGQJAI-JOCHJYFZSA-N 0 0 442.537 4.714 50 0 IJAARN Cc1ccn2cc(C(=O)N(Cc3ccc(Br)cc3)Cc3ccccn3)nc2c1 ZINC000065477219 525615204 /nfs/dbraw/zinc/61/52/04/525615204.db2.gz JAGQPUJVUXIBRF-UHFFFAOYSA-N 0 0 435.325 4.643 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)N1CC[C@@H](c3ccccc3)C1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990084 525616156 /nfs/dbraw/zinc/61/61/56/525616156.db2.gz COLYARFPLNQTRH-GOSISDBHSA-N 0 0 436.577 4.810 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C3=O)o1 ZINC000021810752 525618370 /nfs/dbraw/zinc/61/83/70/525618370.db2.gz CFXZZWOWNSZYPO-AREMUKBSSA-N 0 0 433.552 4.715 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCC(C)CC2)c2ccccc23)cc1C ZINC000020355950 525636280 /nfs/dbraw/zinc/63/62/80/525636280.db2.gz BPYFWXLNHHBPMX-UHFFFAOYSA-N 0 0 449.580 4.718 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccccc1C)C3=O ZINC000020902901 525643064 /nfs/dbraw/zinc/64/30/64/525643064.db2.gz ZNXIITZDCGMUGJ-MHZLTWQESA-N 0 0 445.563 4.826 50 0 IJAARN Cc1c(C(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)sc2ncnc(NC3CC3)c12 ZINC000012209495 525644986 /nfs/dbraw/zinc/64/49/86/525644986.db2.gz CVGDLWLDXCZWSB-FQEVSTJZSA-N 0 0 429.549 4.797 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(F)c3F)sc2c1 ZINC000021660573 525657769 /nfs/dbraw/zinc/65/77/69/525657769.db2.gz KCDNHKOOMPLEEW-CYBMUJFWSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1cc2nc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc(=O)n2o1 ZINC000041085637 525674188 /nfs/dbraw/zinc/67/41/88/525674188.db2.gz SJUPPEGUUSYGJT-UHFFFAOYSA-N 0 0 431.492 4.725 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc(=O)n2o1 ZINC000035429518 525674233 /nfs/dbraw/zinc/67/42/33/525674233.db2.gz GQWZWWSVVGMFQB-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1cc2nc(N(Cc3ccccc3)C(=O)c3nc4nccc(C)n4n3)sc2c(C)c1 ZINC000012778560 525677570 /nfs/dbraw/zinc/67/75/70/525677570.db2.gz INKCRVNCTJCHKW-UHFFFAOYSA-N 0 0 428.521 4.506 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccc(Cl)nc2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012391387 525681801 /nfs/dbraw/zinc/68/18/01/525681801.db2.gz ATFJNDYVZDDLJB-UHFFFAOYSA-N 0 0 449.935 4.958 50 0 IJAARN C[C@H](Nc1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4)c1ccccc1 ZINC000020477977 525685041 /nfs/dbraw/zinc/68/50/41/525685041.db2.gz WHPNHSHDKINEHH-HNNXBMFYSA-N 0 0 431.565 4.738 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)n23)c1 ZINC000020768266 525718171 /nfs/dbraw/zinc/71/81/71/525718171.db2.gz NXFKQCNOTGQEFB-UHFFFAOYSA-N 0 0 445.422 4.703 50 0 IJAARN COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)c1 ZINC000035460597 525720430 /nfs/dbraw/zinc/72/04/30/525720430.db2.gz FRKGXDVMCNDIIY-UHFFFAOYSA-N 0 0 445.523 4.555 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000035398528 525751773 /nfs/dbraw/zinc/75/17/73/525751773.db2.gz OOLONMJOUYXFFH-UHFFFAOYSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)nn2)cc1 ZINC000035398155 525752183 /nfs/dbraw/zinc/75/21/83/525752183.db2.gz MHNVVXOWWGTIIH-MRXNPFEDSA-N 0 0 426.442 4.724 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012736422 525766713 /nfs/dbraw/zinc/76/67/13/525766713.db2.gz QZDPPEAPRHHINN-UHFFFAOYSA-N 0 0 432.307 4.644 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000020413953 525769783 /nfs/dbraw/zinc/76/97/83/525769783.db2.gz KHQXROKQKHKIRA-UHFFFAOYSA-N 0 0 447.988 4.664 50 0 IJAARN Cc1ccc(-c2csc(/C=C3\SCC(=O)N3CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)cc1 ZINC000012533344 525779901 /nfs/dbraw/zinc/77/99/01/525779901.db2.gz MQYQSXHZQVTKEY-VLLHKADLSA-N 0 0 441.622 4.782 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C)c4ccc(F)cc4)c(=O)c23)cc1 ZINC000012911199 525787348 /nfs/dbraw/zinc/78/73/48/525787348.db2.gz VGTXGXRUSBQSGU-INIZCTEOSA-N 0 0 435.524 4.840 50 0 IJAARN COc1cccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccc(C)cc43)CC2)c1 ZINC000034813595 525801155 /nfs/dbraw/zinc/80/11/55/525801155.db2.gz CNMVCZCVCREWIB-UHFFFAOYSA-N 0 0 427.504 4.646 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021859532 525803663 /nfs/dbraw/zinc/80/36/63/525803663.db2.gz SZFWLWGQCXPDNN-MHZLTWQESA-N 0 0 441.506 4.512 50 0 IJAARN Cc1ccsc1C(=O)N(Cc1ccc(OCCc2ccccn2)cc1)C[C@H]1CCCO1 ZINC000012166770 525818184 /nfs/dbraw/zinc/81/81/84/525818184.db2.gz UEJCBERZFKGMMM-HSZRJFAPSA-N 0 0 436.577 4.894 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@@H]2c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197802 525822853 /nfs/dbraw/zinc/82/28/53/525822853.db2.gz XHYGQADZTOROSN-LRTDBIEQSA-N 0 0 448.375 4.958 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4cccc(F)c4)C3=O)c2)c1 ZINC000035181036 525859176 /nfs/dbraw/zinc/85/91/76/525859176.db2.gz OMBSOCVODKVTGB-SFHVURJKSA-N 0 0 447.510 4.964 50 0 IJAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4Cl)c3=O)n2)cc1 ZINC000021649571 525870036 /nfs/dbraw/zinc/87/00/36/525870036.db2.gz NVOLIDIJJDLPQN-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1ccccc1Cl ZINC000035961817 525872605 /nfs/dbraw/zinc/87/26/05/525872605.db2.gz QISYXYFDZYVRKA-KRWDZBQOSA-N 0 0 443.981 4.879 50 0 IJAARN C[C@@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012676335 525883159 /nfs/dbraw/zinc/88/31/59/525883159.db2.gz ONJATQNEZYVKJM-OXFRDRNISA-N 0 0 432.423 4.811 50 0 IJAARN C[C@@H](OC(=O)c1c2c(sc1-n1cccc1)CSCC2)C(=O)Nc1ccccc1F ZINC000012568951 525893068 /nfs/dbraw/zinc/89/30/68/525893068.db2.gz KPHVSWJUNKCIMT-CYBMUJFWSA-N 0 0 430.526 4.651 50 0 IJAARN C[C@@]12NC(=S)N[C@@H](c3cc(Cl)cc(Cl)c3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000020641307 525915862 /nfs/dbraw/zinc/91/58/62/525915862.db2.gz UOXQPIXHKYJGIM-QWQRMKEZSA-N 0 0 442.755 4.529 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1cccc(Cl)c1C)nc2C ZINC000020563595 525936341 /nfs/dbraw/zinc/93/63/41/525936341.db2.gz HPMUIOXFVVIJSJ-UHFFFAOYSA-N 0 0 449.942 4.580 50 0 in-vitro IJAARN C[C@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000021999871 525938463 /nfs/dbraw/zinc/93/84/63/525938463.db2.gz BBKDWPHJZANJGB-KBXCAEBGSA-N 0 0 428.872 4.565 50 0 in-vitro IJAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)o1 ZINC000021659816 525956850 /nfs/dbraw/zinc/95/68/50/525956850.db2.gz SBHCXIULMJRJDZ-SFHVURJKSA-N 0 0 444.329 4.572 50 0 IJAARN Cc1ccc(/C=C/c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1 ZINC000035460037 525957851 /nfs/dbraw/zinc/95/78/51/525957851.db2.gz BRHXLXUBHDHSEP-DHZHZOJOSA-N 0 0 427.508 4.578 50 0 IJAARN Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)o1 ZINC000021659773 525959661 /nfs/dbraw/zinc/95/96/61/525959661.db2.gz DMMUSRUTVBYERN-KRWDZBQOSA-N 0 0 431.330 4.972 50 0 IJAARN Cc1ccc([C@H](NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c2cccs2)cc1 ZINC000012740188 525964472 /nfs/dbraw/zinc/96/44/72/525964472.db2.gz VYPPQBNKZNQGNB-QFIPXVFZSA-N 0 0 449.601 4.682 50 0 IJAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)c1 ZINC000035462989 525972545 /nfs/dbraw/zinc/97/25/45/525972545.db2.gz BIMZKYOVSNTSEI-UHFFFAOYSA-N 0 0 430.533 4.694 50 0 IJAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012557801 526014144 /nfs/dbraw/zinc/01/41/44/526014144.db2.gz HDRWQUXCZSOOBA-CYBMUJFWSA-N 0 0 439.566 4.526 50 0 IJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012850462 526036774 /nfs/dbraw/zinc/03/67/74/526036774.db2.gz LFCHEBWINLNLKS-ZDUSSCGKSA-N 0 0 437.853 4.571 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccccc4F)c3c2=O)c1 ZINC000035400438 526110580 /nfs/dbraw/zinc/11/05/80/526110580.db2.gz YKXKXIZDBYARCO-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000035768971 526114318 /nfs/dbraw/zinc/11/43/18/526114318.db2.gz HMXAVDSJSKJCRU-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cc(Cl)ccc3C)c2n1 ZINC000021151371 526116369 /nfs/dbraw/zinc/11/63/69/526116369.db2.gz ZZWVYCHVHUDILX-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012230542 526135551 /nfs/dbraw/zinc/13/55/51/526135551.db2.gz OZCJFVAHSKXJIL-UHFFFAOYSA-N 0 0 434.389 4.532 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)NCc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000034814366 526142645 /nfs/dbraw/zinc/14/26/45/526142645.db2.gz VNIIDCWUEHWOJN-UHFFFAOYSA-N 0 0 426.520 4.706 50 0 IJAARN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(Br)c2)c1 ZINC000012554479 526143163 /nfs/dbraw/zinc/14/31/63/526143163.db2.gz GSEWLSJDPKKIBR-HXUWFJFHSA-N 0 0 425.282 4.934 50 0 IJAARN Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001105872 526144003 /nfs/dbraw/zinc/14/40/03/526144003.db2.gz NQXTYNDUTNKAHW-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)ccc12 ZINC000012755112 526148240 /nfs/dbraw/zinc/14/82/40/526148240.db2.gz BJYQQSGLQVAHKS-SFHVURJKSA-N 0 0 434.473 4.513 50 0 IJAARN COc1cccc(NC(=O)COc2ccc3c(C(C)C)cc(=O)n(CC4CCC4)c3c2)c1 ZINC000034836309 526177458 /nfs/dbraw/zinc/17/74/58/526177458.db2.gz JAUIPOTWSKRUNN-UHFFFAOYSA-N 0 0 434.536 4.951 50 0 IJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)Cc3ccc(F)cc3)CC1)=N2 ZINC000034812737 526178049 /nfs/dbraw/zinc/17/80/49/526178049.db2.gz ZIKPOUQYUAWSGG-UHFFFAOYSA-N 0 0 429.495 4.705 50 0 IJAARN COc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)c1OC ZINC000022679798 526190667 /nfs/dbraw/zinc/19/06/67/526190667.db2.gz GSPQVBVOSKRNGO-OAQYLSRUSA-N 0 0 437.565 4.686 50 0 IJAARN COc1cccc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C(F)(F)F)c1 ZINC000033039935 526204734 /nfs/dbraw/zinc/20/47/34/526204734.db2.gz XPXRAQDKFFDMRB-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccco4)n3-c3ccccc3)cc21 ZINC000012533613 526208668 /nfs/dbraw/zinc/20/86/68/526208668.db2.gz LIYMWVGXVDNZCP-CQSZACIVSA-N 0 0 430.489 4.558 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(Cc5ccco5)CC4)cc3)sc2c1 ZINC000022752746 526241101 /nfs/dbraw/zinc/24/11/01/526241101.db2.gz FPGQRBLGPSWDGW-UHFFFAOYSA-N 0 0 446.576 4.621 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)c2c1 ZINC000012767065 526242041 /nfs/dbraw/zinc/24/20/41/526242041.db2.gz JYVRSWWZVRCPNZ-UHFFFAOYSA-N 0 0 445.544 4.512 50 0 IJAARN Cc1ccc2nc3c(cc(C(=O)Nc4cccc(Cl)c4)n3Cc3ccccc3)c(=O)n2c1 ZINC000009449369 526257117 /nfs/dbraw/zinc/25/71/17/526257117.db2.gz PMRAAINEUGTIEG-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012753179 526261553 /nfs/dbraw/zinc/26/15/53/526261553.db2.gz AUFLJGZZEOHGNH-GXTWGEPZSA-N 0 0 433.624 4.641 50 0 IJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc1c2C ZINC000012867103 526291417 /nfs/dbraw/zinc/29/14/17/526291417.db2.gz BZHNLONGKSMSHE-QYBDOPJKSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN Cc1nn([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466917 526305731 /nfs/dbraw/zinc/30/57/31/526305731.db2.gz GDGXHRITCHLASO-GOSISDBHSA-N 0 0 445.588 4.962 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000035451334 526351235 /nfs/dbraw/zinc/35/12/35/526351235.db2.gz OILXPMMSSWXVQQ-UHFFFAOYSA-N 0 0 441.597 4.791 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000035450805 526351264 /nfs/dbraw/zinc/35/12/64/526351264.db2.gz UVLCTCPHQLSYQN-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN Cc1nnc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2C)s1 ZINC000012573197 526380176 /nfs/dbraw/zinc/38/01/76/526380176.db2.gz REZFTNZVLLAGGH-JOCHJYFZSA-N 0 0 434.590 4.903 50 0 IJAARN O=C(OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000020894059 526414316 /nfs/dbraw/zinc/41/43/16/526414316.db2.gz MOLLIQJXBCAEFP-UHFFFAOYSA-N 0 0 425.893 4.700 50 0 IJAARN O=C(Oc1ccccc1/C=C1\N=C2CCCCCN2C1=O)c1ccc(Br)cc1 ZINC000012523890 526447467 /nfs/dbraw/zinc/44/74/67/526447467.db2.gz HUVAERXKKGTYJH-JXAWBTAJSA-N 0 0 439.309 4.824 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000012854020 526479355 /nfs/dbraw/zinc/47/93/55/526479355.db2.gz FIWFKIKIWQSYBW-UHFFFAOYSA-N 0 0 431.489 4.556 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000021128441 526522211 /nfs/dbraw/zinc/52/22/11/526522211.db2.gz OBAGPCIYRWBXTM-HNNXBMFYSA-N 0 0 428.872 4.708 50 0 IJAARN O=C([C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1)N1CCCC1 ZINC000012593759 526523438 /nfs/dbraw/zinc/52/34/38/526523438.db2.gz OSHIMQLJFGSJSI-JOCHJYFZSA-N 0 0 441.560 4.785 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000012868202 526550352 /nfs/dbraw/zinc/55/03/52/526550352.db2.gz KEQJSUJJGKSFCR-GOSISDBHSA-N 0 0 447.601 4.578 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000012459298 526553744 /nfs/dbraw/zinc/55/37/44/526553744.db2.gz OVVCFROULCDNBD-INIZCTEOSA-N 0 0 426.463 4.660 50 0 IJAARN O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)C1(c2ccccc2)CCCCC1 ZINC000012098708 526561096 /nfs/dbraw/zinc/56/10/96/526561096.db2.gz XIHPGQQDPVULMF-QFIPXVFZSA-N 0 0 431.511 4.605 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1)NCc1ccccc1F ZINC000011839012 526568726 /nfs/dbraw/zinc/56/87/26/526568726.db2.gz NXVCNBBENCWVON-LJQANCHMSA-N 0 0 435.543 4.575 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2)o1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000023641642 526584172 /nfs/dbraw/zinc/58/41/72/526584172.db2.gz WEULZXGSQSYEEZ-UHFFFAOYSA-N 0 0 430.485 4.845 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CSc3nc(C)c(C)n3C[C@H]3CCCO3)c2)cs1 ZINC000021569560 526586733 /nfs/dbraw/zinc/58/67/33/526586733.db2.gz XRQVGCOREUCVMA-LJQANCHMSA-N 0 0 442.610 4.842 50 0 IJAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021017095 526588709 /nfs/dbraw/zinc/58/87/09/526588709.db2.gz FVRHPUJEYXRXNY-UHFFFAOYSA-N 0 0 440.522 4.763 50 0 IJAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1c(F)c(F)c(F)c(F)c1F ZINC000023332900 526628506 /nfs/dbraw/zinc/62/85/06/526628506.db2.gz FDSMQMDNSYKCNA-CQSZACIVSA-N 0 0 435.348 4.908 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266487 526658862 /nfs/dbraw/zinc/65/88/62/526658862.db2.gz YJWPUDBBKVDDGK-UHFFFAOYSA-N 0 0 445.954 4.583 50 0 IJAARN O=C(NCc1ccccc1COc1ccccc1)c1ccccc1I ZINC000030186847 526745334 /nfs/dbraw/zinc/74/53/34/526745334.db2.gz YQUNRQHMTCPMNK-UHFFFAOYSA-N 0 0 443.284 4.800 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCCO)c(=O)oc3c2C)c1-c1ccccc1 ZINC000012887047 526779684 /nfs/dbraw/zinc/77/96/84/526779684.db2.gz KKXPNINSCJMYSC-UHFFFAOYSA-N 0 0 433.504 4.563 50 0 biogenic IJAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020519567 526797740 /nfs/dbraw/zinc/79/77/40/526797740.db2.gz QNWDUSMUDZYWSX-TUGCOKMYSA-N 0 0 426.541 4.505 50 0 IJAARN O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000020602871 526829172 /nfs/dbraw/zinc/82/91/72/526829172.db2.gz GFAAZNWSESUUDH-UHFFFAOYSA-N 0 0 432.423 4.628 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCC(c3nc4ccccc4s3)CC2)CC1 ZINC000009666834 526835052 /nfs/dbraw/zinc/83/50/52/526835052.db2.gz QFFJXPHMYFDAKL-UHFFFAOYSA-N 0 0 439.606 4.616 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000021344937 526847245 /nfs/dbraw/zinc/84/72/45/526847245.db2.gz VTGUBEANMKTFHU-UHFFFAOYSA-N 0 0 425.488 4.875 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1cccc(Cl)c1)OCc1ccccc1 ZINC000012576159 526863189 /nfs/dbraw/zinc/86/31/89/526863189.db2.gz NMYRLGYTPKHEAA-QHCPKHFHSA-N 0 0 436.939 4.536 50 0 IJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000033290135 526864089 /nfs/dbraw/zinc/86/40/89/526864089.db2.gz VBCQVQBLTVLXJT-UHFFFAOYSA-N 0 0 436.580 4.511 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C(O)(c1ccccc1)c1ccccc1 ZINC000016046767 526865129 /nfs/dbraw/zinc/86/51/29/526865129.db2.gz SJLCOUXPWNKQOF-SANMLTNESA-N 0 0 447.538 4.899 50 0 IJAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000012675435 526865873 /nfs/dbraw/zinc/86/58/73/526865873.db2.gz XPCILLYMKVQVCH-UHFFFAOYSA-N 0 0 442.588 4.618 50 0 IJAARN O=C(c1cncn1-c1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022095913 526884761 /nfs/dbraw/zinc/88/47/61/526884761.db2.gz YGSXSIRFKPTJNJ-UHFFFAOYSA-N 0 0 440.522 4.559 50 0 IJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1ccc(Br)cc1C ZINC000033312515 526899000 /nfs/dbraw/zinc/89/90/00/526899000.db2.gz GSTJEICDAWGSAT-UHFFFAOYSA-N 0 0 431.359 4.923 50 0 IJAARN O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2)NCC(F)(F)F ZINC000009662340 526911353 /nfs/dbraw/zinc/91/13/53/526911353.db2.gz LWDNIUXVPRYDOG-JLHYYAGUSA-N 0 0 446.450 4.618 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)NC1CCCC1 ZINC000021554676 526911494 /nfs/dbraw/zinc/91/14/94/526911494.db2.gz MZKPEKSSVCBUIT-BMRADRMJSA-N 0 0 430.504 4.920 50 0 IJAARN Clc1ccc(-c2noc(CCCSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1 ZINC000012590024 526937612 /nfs/dbraw/zinc/93/76/12/526937612.db2.gz MVBOWSYSMUUYMP-UHFFFAOYSA-N 0 0 442.884 4.894 50 0 IJAARN NC(=O)[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000012268822 526958515 /nfs/dbraw/zinc/95/85/15/526958515.db2.gz ILEVZOOGBKPIEY-IBGZPJMESA-N 0 0 440.450 4.670 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)Nc1ccc(F)cc1 ZINC000021644025 527012123 /nfs/dbraw/zinc/01/21/23/527012123.db2.gz LVRNOKXDGBBPPL-NRFANRHFSA-N 0 0 444.491 4.529 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccc(F)cc1 ZINC000012375513 527017212 /nfs/dbraw/zinc/01/72/12/527017212.db2.gz CLPVCGRHJNNNMO-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN O=C1C[C@@H](c2ccc(F)c(Br)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725692 527023374 /nfs/dbraw/zinc/02/33/74/527023374.db2.gz NERMNTOCYPDYNL-NSHDSACASA-N 0 0 443.301 4.858 50 0 IJAARN O=C1C[C@H](c2ccc(Br)cc2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725743 527031684 /nfs/dbraw/zinc/03/16/84/527031684.db2.gz DQTILXKSPQCFHD-CYBMUJFWSA-N 0 0 425.311 4.719 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000009669612 527039604 /nfs/dbraw/zinc/03/96/04/527039604.db2.gz OJVXKBGTFDRXRG-QGZVFWFLSA-N 0 0 426.563 4.913 50 0 IJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2S(=O)(=O)N1c1cc(F)ccc1F ZINC000012414789 527039651 /nfs/dbraw/zinc/03/96/51/527039651.db2.gz OQZUJONKYZHYAA-UHFFFAOYSA-N 0 0 434.851 4.954 50 0 IJAARN O=C(CSc1nnc(-c2cc3ccccc3n2-c2ccccc2)o1)Nc1nccs1 ZINC000021789629 527075025 /nfs/dbraw/zinc/07/50/25/527075025.db2.gz YJLFTMFAALDWHZ-UHFFFAOYSA-N 0 0 433.518 4.868 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000012568148 527075676 /nfs/dbraw/zinc/07/56/76/527075676.db2.gz GPBHSEOXFXVILD-UHFFFAOYSA-N 0 0 427.457 4.648 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000012568455 527076322 /nfs/dbraw/zinc/07/63/22/527076322.db2.gz NUUBAAJFHQRZEX-OAQYLSRUSA-N 0 0 437.540 4.727 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)OCc1ccccc1 ZINC000035848142 527079752 /nfs/dbraw/zinc/07/97/52/527079752.db2.gz NMQDTGXWGPULBH-UHFFFAOYSA-N 0 0 436.924 4.818 50 0 IJAARN O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccccc1Cl ZINC000012376078 527087477 /nfs/dbraw/zinc/08/74/77/527087477.db2.gz VQCRFDNTFCVHGN-OAQYLSRUSA-N 0 0 449.860 4.560 50 0 IJAARN O=C1Nc2ccccc2Oc2cc(Oc3ccccc3)c(S(=O)(=O)N3CCCC3)cc21 ZINC000035327258 527092192 /nfs/dbraw/zinc/09/21/92/527092192.db2.gz MEUDNBPHVSDSMH-UHFFFAOYSA-N 0 0 436.489 4.621 50 0 IJAARN O=C(Nc1cc(Cl)ccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccs1 ZINC000024981731 527110954 /nfs/dbraw/zinc/11/09/54/527110954.db2.gz SKMBCGPWQUOPKD-UHFFFAOYSA-N 0 0 439.924 4.798 50 0 IJAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(COc2ccccc2)o1 ZINC000016008868 527132262 /nfs/dbraw/zinc/13/22/62/527132262.db2.gz JZRPLHNFQDNRSK-UHFFFAOYSA-N 0 0 430.254 4.645 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000012808488 527154299 /nfs/dbraw/zinc/15/42/99/527154299.db2.gz DUWXVKDSISESKA-UHFFFAOYSA-N 0 0 441.247 4.843 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000013145908 527173617 /nfs/dbraw/zinc/17/36/17/527173617.db2.gz FLLQJRDEMUSQIB-UHFFFAOYSA-N 0 0 428.747 4.875 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000035596981 527178640 /nfs/dbraw/zinc/17/86/40/527178640.db2.gz UPTYYRMBMULDKM-AWEZNQCLSA-N 0 0 426.860 4.530 50 0 IJAARN O=S(=O)(Cc1ccccc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020522872 527196971 /nfs/dbraw/zinc/19/69/71/527196971.db2.gz DSEOQVDDXMPKIU-FQEVSTJZSA-N 0 0 439.924 4.599 50 0 IJAARN O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000012881256 527240918 /nfs/dbraw/zinc/24/09/18/527240918.db2.gz JZCDOIMORIFKKY-KRWDZBQOSA-N 0 0 426.332 4.718 50 0 IJAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1OCCOc1ccccc1 ZINC000012137192 527247411 /nfs/dbraw/zinc/24/74/11/527247411.db2.gz APGRRJRSORAPNJ-HSZRJFAPSA-N 0 0 433.504 4.955 50 0 IJAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1)N1CCc2ccccc21 ZINC000020533714 527277953 /nfs/dbraw/zinc/27/79/53/527277953.db2.gz SLEFVYIEHDCDAT-UHFFFAOYSA-N 0 0 445.516 4.525 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915006 527286053 /nfs/dbraw/zinc/28/60/53/527286053.db2.gz GXHUPOIURUGVTL-UHFFFAOYSA-N 0 0 443.503 4.547 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000012344103 527288751 /nfs/dbraw/zinc/28/87/51/527288751.db2.gz LHISRSCMQDKXSX-HXUWFJFHSA-N 0 0 440.297 4.616 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000035485320 527295398 /nfs/dbraw/zinc/29/53/98/527295398.db2.gz PVRRCLYPJGKDFT-MRXNPFEDSA-N 0 0 436.892 4.558 50 0 IJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1I ZINC000001157763 527314128 /nfs/dbraw/zinc/31/41/28/527314128.db2.gz BIHPDXZIPDSJMA-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)C2 ZINC000012754290 527320705 /nfs/dbraw/zinc/32/07/05/527320705.db2.gz LATYXOMKUDWZMS-HNAYVOBHSA-N 0 0 440.897 4.567 50 0 IJAARN Cn1ccc2cc(NC(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)ccc21 ZINC000263586184 527374489 /nfs/dbraw/zinc/37/44/89/527374489.db2.gz QZNRDYYNIHCZII-NRFANRHFSA-N 0 0 446.551 4.745 50 0 biogenic IJAARN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000019005350 527383437 /nfs/dbraw/zinc/38/34/37/527383437.db2.gz UTUTXRMBJUJBGY-UHFFFAOYSA-N 0 0 446.931 4.672 50 0 IJAARN O=C(Nc1ccccc1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccs1 ZINC000012769221 527410887 /nfs/dbraw/zinc/41/08/87/527410887.db2.gz RARQGQFKKRBKLB-UHFFFAOYSA-N 0 0 447.560 4.557 50 0 IJAARN Nc1c(Cl)cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000012532609 527432323 /nfs/dbraw/zinc/43/23/23/527432323.db2.gz ZGFNHDXRTLKZGF-UHFFFAOYSA-N 0 0 436.320 4.629 50 0 IJAARN O=c1[nH]c(=S)n(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000020603416 527436982 /nfs/dbraw/zinc/43/69/82/527436982.db2.gz TVIAOLKBPIBJIC-LBPRGKRZSA-N 0 0 441.862 4.972 50 0 IJAARN O=c1nc(N2CCc3ccccc3C2)[nH]c2c(-c3cccc(Br)c3)csc21 ZINC000042379796 527439598 /nfs/dbraw/zinc/43/95/98/527439598.db2.gz GCFBXBYXLUCWIY-UHFFFAOYSA-N 0 0 438.350 4.977 50 0 IJAARN O=C(Nc1cccs1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000022503697 527450636 /nfs/dbraw/zinc/45/06/36/527450636.db2.gz NKLDLNYFEOGNII-UHFFFAOYSA-N 0 0 431.514 4.673 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012539771 527453675 /nfs/dbraw/zinc/45/36/75/527453675.db2.gz GLNNADFGLOJBMR-QHCPKHFHSA-N 0 0 433.458 4.797 50 0 IJAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1ccc2c(c1)OCO2 ZINC000012568500 527454380 /nfs/dbraw/zinc/45/43/80/527454380.db2.gz NTHUOBXPJWUUHL-UHFFFAOYSA-N 0 0 441.306 4.665 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000012907891 527454959 /nfs/dbraw/zinc/45/49/59/527454959.db2.gz VJENJSNVANWEBV-HNNXBMFYSA-N 0 0 447.343 4.872 50 0 IJAARN O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1OCCOc1ccccc1 ZINC000012137567 527458252 /nfs/dbraw/zinc/45/82/52/527458252.db2.gz ICGYPOXNCHGZDW-UHFFFAOYSA-N 0 0 432.545 4.612 50 0 IJAARN O=c1c2cc3c(cc2nc(SCc2nc(-c4ccccc4)no2)n1C1CCCC1)OCO3 ZINC000021708744 527461867 /nfs/dbraw/zinc/46/18/67/527461867.db2.gz DIKYTGSXAVMWFR-UHFFFAOYSA-N 0 0 448.504 4.583 50 0 IJAARN O=c1c2ccccc2nc(SC[C@@H]2CN(Cc3ccccc3)CCO2)n1C1CCCC1 ZINC000012749823 527465047 /nfs/dbraw/zinc/46/50/47/527465047.db2.gz KGUSZDQCDRBMKT-NRFANRHFSA-N 0 0 435.593 4.505 50 0 IJAARN O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(Br)cc3)no2)[nH]1 ZINC000012414991 527474492 /nfs/dbraw/zinc/47/44/92/527474492.db2.gz XHWFRQAHDSYFOW-UHFFFAOYSA-N 0 0 441.310 4.542 50 0 IJAARN O=C(NC1CC1)[C@H](Oc1ccc(Br)cc1Br)c1ccc(F)cc1 ZINC000012257117 527490327 /nfs/dbraw/zinc/49/03/27/527490327.db2.gz OWXZYACXYDONQB-MRXNPFEDSA-N 0 0 443.110 4.749 50 0 IJAARN O=C(NC1CCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000022647790 527506128 /nfs/dbraw/zinc/50/61/28/527506128.db2.gz IHXJAXJTADYCOW-QFIPXVFZSA-N 0 0 442.401 4.808 50 0 IJAARN O=C(NC1CCCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000035477566 527509129 /nfs/dbraw/zinc/50/91/29/527509129.db2.gz FEBVZHWRDBFNBC-UHFFFAOYSA-N 0 0 448.954 4.813 50 0 IJAARN O=C(NC1CCCCCC1)c1cc2c(n(-c3ccc(C(F)(F)F)cc3)c1=O)CCCC2=O ZINC000033126919 527518921 /nfs/dbraw/zinc/51/89/21/527518921.db2.gz QHLJDKCRRRNESJ-UHFFFAOYSA-N 0 0 446.469 4.828 50 0 IJAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000021788158 527521895 /nfs/dbraw/zinc/52/18/95/527521895.db2.gz BLHKOQUJXLHUJT-FQEVSTJZSA-N 0 0 427.913 4.646 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000012774875 527523830 /nfs/dbraw/zinc/52/38/30/527523830.db2.gz ZSBRBOWSCLGLIT-UHFFFAOYSA-N 0 0 441.487 4.636 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccccn1 ZINC000034672378 527528417 /nfs/dbraw/zinc/52/84/17/527528417.db2.gz NZMKPIRIVJGSCT-UHFFFAOYSA-N 0 0 448.473 4.895 50 0 IJAARN O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035723497 527530575 /nfs/dbraw/zinc/53/05/75/527530575.db2.gz BVTBACUMBGHCTB-MRXNPFEDSA-N 0 0 447.347 4.755 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)nc(NC3CCC(NC(=O)c4ccccc4)CC3)c12 ZINC000036006107 527554596 /nfs/dbraw/zinc/55/45/96/527554596.db2.gz UWGWBRQOEYGTQP-UHFFFAOYSA-N 0 0 440.551 4.585 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cc(F)cc(F)c1)SCC(=O)N2 ZINC000020891313 527571218 /nfs/dbraw/zinc/57/12/18/527571218.db2.gz FOBOVGGRYVVCGE-SFHVURJKSA-N 0 0 428.489 4.843 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 ZINC000020723217 527572486 /nfs/dbraw/zinc/57/24/86/527572486.db2.gz VRVVCZNWFFUWLX-QFIPXVFZSA-N 0 0 443.532 4.974 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000020745804 527573154 /nfs/dbraw/zinc/57/31/54/527573154.db2.gz CPPCDHNSHNKCOV-NRFANRHFSA-N 0 0 425.492 4.716 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012470365 527616952 /nfs/dbraw/zinc/61/69/52/527616952.db2.gz IFLYXJQRYHTJSP-XMMPIXPASA-N 0 0 429.564 4.758 50 0 IJAARN CC1(C)Cc2c3c(N)c(C(=O)c4ccccc4)sc3nc(N3CCOCC3)c2CS1 ZINC000002229921 534944721 /nfs/dbraw/zinc/94/47/21/534944721.db2.gz RHEPEKDYWDZCLZ-UHFFFAOYSA-N 0 0 439.606 4.514 50 0 IJAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCC[C@@H](C)C3)c2cc1OC ZINC000002225441 535691575 /nfs/dbraw/zinc/69/15/75/535691575.db2.gz DWAKLUDXVLDNHY-MRXNPFEDSA-N 0 0 437.540 4.958 50 0 IJAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000009406015 536116537 /nfs/dbraw/zinc/11/65/37/536116537.db2.gz UZZHXAPJXZXFTJ-IBGZPJMESA-N 0 0 427.932 4.788 50 0 IJAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000008588562 536117056 /nfs/dbraw/zinc/11/70/56/536117056.db2.gz IVKLISVHERPTSF-QHCPKHFHSA-N 0 0 449.595 4.553 50 0 IJAARN COc1cc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc(OC)c1 ZINC000013610346 536851788 /nfs/dbraw/zinc/85/17/88/536851788.db2.gz KCKMPZONVXCJQJ-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000009125558 555509681 /nfs/dbraw/zinc/50/96/81/555509681.db2.gz UVFYEIICUDNXIZ-RCCKNPSSSA-N 0 0 434.923 4.986 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2c(C)nn(Cc3ccccc3Cl)c2C)c(C)n1C ZINC000009129185 555509699 /nfs/dbraw/zinc/50/96/99/555509699.db2.gz RTRLOFGLILTOOL-ZHACJKMWSA-N 0 0 439.943 4.596 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(OCc2ccccc2)c1 ZINC000000626962 555513019 /nfs/dbraw/zinc/51/30/19/555513019.db2.gz FVNNNEAERJOBMH-UHFFFAOYSA-N 0 0 435.520 4.627 50 0 IJAARN COC(=O)c1cccc(-c2cc(-c3cccs3)cc(-c3cccc(C(=O)OC)n3)n2)n1 ZINC000000632279 555515206 /nfs/dbraw/zinc/51/52/06/555515206.db2.gz IZJYKCDNWNVAOB-UHFFFAOYSA-N 0 0 431.473 4.507 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)c1 ZINC000000635863 555516679 /nfs/dbraw/zinc/51/66/79/555516679.db2.gz XDEVMUFJFXTOJO-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000000645913 555520700 /nfs/dbraw/zinc/52/07/00/555520700.db2.gz OEVMKEJIEZVAMD-HXUWFJFHSA-N 0 0 441.531 4.801 50 0 IJAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000000649448 555522420 /nfs/dbraw/zinc/52/24/20/555522420.db2.gz RTVUPGCGXNJLGK-UHFFFAOYSA-N 0 0 440.569 4.542 50 0 IJAARN CCc1ccc(OCc2ccc(C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)cc2)cc1 ZINC000000652240 555523259 /nfs/dbraw/zinc/52/32/59/555523259.db2.gz MOCZSQKQWHVGPZ-UHFFFAOYSA-N 0 0 447.487 4.654 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1NC(=O)c1ccccc1C ZINC000000663066 555527395 /nfs/dbraw/zinc/52/73/95/555527395.db2.gz OBXRGBDOJZVQHK-UHFFFAOYSA-N 0 0 438.505 4.665 50 0 IJAARN COc1ccc(NC2=C[C@@H](c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000662767 555527437 /nfs/dbraw/zinc/52/74/37/555527437.db2.gz WJZOKOUQLAGZTP-QHCPKHFHSA-N 0 0 446.503 4.805 50 0 IJAARN COc1cc(Br)c([C@@H](C)NC(=O)c2cccc(Br)c2)cc1OC ZINC000000668026 555529563 /nfs/dbraw/zinc/52/95/63/555529563.db2.gz UBRQJRNYSGYVLV-SNVBAGLBSA-N 0 0 443.135 4.720 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)c1 ZINC000000673838 555532625 /nfs/dbraw/zinc/53/26/25/555532625.db2.gz QWMOGBCJEZXUKA-KHDYIWLOSA-N 0 0 448.420 4.988 50 0 IJAARN Cc1cc(Br)cc(Br)c1OCC(=O)NCCC1=CCCCC1 ZINC000000674418 555533165 /nfs/dbraw/zinc/53/31/65/555533165.db2.gz PKZOIYSAUJGFCV-UHFFFAOYSA-N 0 0 431.168 4.906 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000000676931 555535172 /nfs/dbraw/zinc/53/51/72/555535172.db2.gz FLDCVKFLMMHIJF-UHFFFAOYSA-N 0 0 449.326 4.510 50 0 IJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000676858 555535187 /nfs/dbraw/zinc/53/51/87/555535187.db2.gz MJPLMFFXPQMNTH-GOSISDBHSA-N 0 0 444.597 4.829 50 0 IJAARN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000000682085 555537759 /nfs/dbraw/zinc/53/77/59/555537759.db2.gz RZKYNMDZKVXFJJ-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)COc2c(C)cccc2C)c1 ZINC000000683269 555538637 /nfs/dbraw/zinc/53/86/37/555538637.db2.gz LFMOJBZFRJHJLR-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000000686630 555540048 /nfs/dbraw/zinc/54/00/48/555540048.db2.gz NBGFBYNTQKUALK-YLJYHZDGSA-N 0 0 430.618 4.787 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000702225 555542939 /nfs/dbraw/zinc/54/29/39/555542939.db2.gz WWJGPUFDNNQPIM-ZDUSSCGKSA-N 0 0 427.353 4.809 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 ZINC000000703414 555543992 /nfs/dbraw/zinc/54/39/92/555543992.db2.gz QWZZBYTWJAMURD-UHFFFAOYSA-N 0 0 434.330 4.941 50 0 IJAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000000703521 555544006 /nfs/dbraw/zinc/54/40/06/555544006.db2.gz ODBRWELMKJAEFD-QHCPKHFHSA-N 0 0 432.545 4.775 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000000703963 555544289 /nfs/dbraw/zinc/54/42/89/555544289.db2.gz CKTZUVUTFNQSAY-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1 ZINC000000724668 555551075 /nfs/dbraw/zinc/55/10/75/555551075.db2.gz QDJLAHYRMRTLBP-LLVKDONJSA-N 0 0 437.359 4.804 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000000805451 555559933 /nfs/dbraw/zinc/55/99/33/555559933.db2.gz CHKSOAQINKFOMG-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000000812253 555560885 /nfs/dbraw/zinc/56/08/85/555560885.db2.gz LDRODEOGJKAZTE-UHFFFAOYSA-N 0 0 432.373 4.869 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 ZINC000000812971 555561171 /nfs/dbraw/zinc/56/11/71/555561171.db2.gz KACVWHUTXHCUFE-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000000856475 555571454 /nfs/dbraw/zinc/57/14/54/555571454.db2.gz FOUTVZAWZOKEPP-SNDHGLFQSA-N 0 0 442.902 4.695 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866524 555574129 /nfs/dbraw/zinc/57/41/29/555574129.db2.gz KXKLLPGYCJYKGF-LRDDRELGSA-N 0 0 436.415 4.586 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000867236 555574249 /nfs/dbraw/zinc/57/42/49/555574249.db2.gz DOFPPPHQFZKYAU-UHFFFAOYSA-N 0 0 431.517 4.515 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000869672 555575053 /nfs/dbraw/zinc/57/50/53/555575053.db2.gz IXDVSDNWUWVALS-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1ccccc1 ZINC000000885334 555578955 /nfs/dbraw/zinc/57/89/55/555578955.db2.gz OMIFDDSDBIAWPJ-UHFFFAOYSA-N 0 0 429.467 4.670 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccncc2)cc1 ZINC000000907631 555581998 /nfs/dbraw/zinc/58/19/98/555581998.db2.gz PEKXCOBURHJHMX-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000000941385 555587012 /nfs/dbraw/zinc/58/70/12/555587012.db2.gz OBBMRPJAWPEWDN-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000951525 555589117 /nfs/dbraw/zinc/58/91/17/555589117.db2.gz SVOABJLKPLRQLX-NRFANRHFSA-N 0 0 448.906 4.503 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(Br)cc1 ZINC000000950768 555589173 /nfs/dbraw/zinc/58/91/73/555589173.db2.gz QBDIPEDQXVLQIF-CQSZACIVSA-N 0 0 445.260 4.910 50 0 IJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(NC(C)=O)cc1 ZINC000000951951 555589387 /nfs/dbraw/zinc/58/93/87/555589387.db2.gz WGYJLPUCRUIFGM-UHFFFAOYSA-N 0 0 428.286 4.876 50 0 IJAARN COC(=O)c1scc(Br)c1-c1c(Br)csc1C(=O)OC ZINC000000984491 555594273 /nfs/dbraw/zinc/59/42/73/555594273.db2.gz HJEDJOISWCVJGJ-UHFFFAOYSA-N 0 0 440.134 4.575 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O ZINC000000987030 555595051 /nfs/dbraw/zinc/59/50/51/555595051.db2.gz RVNPOUVIRMGWNJ-GFCCVEGCSA-N 0 0 429.954 4.835 50 0 IJAARN O=C(NCCc1cccc(Cl)c1)c1ccccc1C(=O)NCCc1cccc(Cl)c1 ZINC000000998667 555599526 /nfs/dbraw/zinc/59/95/26/555599526.db2.gz VPVMPACQPXYTTQ-UHFFFAOYSA-N 0 0 441.358 4.938 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1OC ZINC000001022883 555603959 /nfs/dbraw/zinc/60/39/59/555603959.db2.gz KPMQYUCDMFIAMG-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CC(=O)Cn1c2sc(-c3ccccc3)cc2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000001036428 555608441 /nfs/dbraw/zinc/60/84/41/555608441.db2.gz BWKBFFJICTXMFW-UHFFFAOYSA-N 0 0 445.327 4.777 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3C)nnc2-c2ccncc2)cc1 ZINC000001040499 555609651 /nfs/dbraw/zinc/60/96/51/555609651.db2.gz RUZQZKNORATMMA-UHFFFAOYSA-N 0 0 430.533 4.930 50 0 IJAARN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001048326 555611822 /nfs/dbraw/zinc/61/18/22/555611822.db2.gz XPHMGEBACXBKRT-UHFFFAOYSA-N 0 0 440.878 4.634 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(NC2CC2)o1 ZINC000001052813 555613609 /nfs/dbraw/zinc/61/36/09/555613609.db2.gz WNQDJEOCGJRCQG-UHFFFAOYSA-N 0 0 433.327 4.820 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001063434 555617247 /nfs/dbraw/zinc/61/72/47/555617247.db2.gz OHIJVYSZFWSSTG-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN COc1cccc(-c2cc(C(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3n2)c1 ZINC000001068377 555619602 /nfs/dbraw/zinc/61/96/02/555619602.db2.gz GSYVSMONDUTJOG-UHFFFAOYSA-N 0 0 428.488 4.858 50 0 IJAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 ZINC000001071129 555621196 /nfs/dbraw/zinc/62/11/96/555621196.db2.gz ALVXTMYCWJINPJ-UHFFFAOYSA-N 0 0 427.913 4.875 50 0 IJAARN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000001076970 555624582 /nfs/dbraw/zinc/62/45/82/555624582.db2.gz MLVQKSXOFMYLRU-UHFFFAOYSA-N 0 0 430.533 4.792 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C ZINC000001077048 555624590 /nfs/dbraw/zinc/62/45/90/555624590.db2.gz VQVMRCMYOJLPSJ-UHFFFAOYSA-N 0 0 430.533 4.889 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1 ZINC000001099829 555628521 /nfs/dbraw/zinc/62/85/21/555628521.db2.gz KUGFCFFAAXQDOX-VWLOTQADSA-N 0 0 435.907 4.746 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2cc(Cl)ccc2C)cc1 ZINC000001109166 555630517 /nfs/dbraw/zinc/63/05/17/555630517.db2.gz KDLLRQSLBHYYJZ-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)C(Cl)(Cl)Cl ZINC000001112794 555632704 /nfs/dbraw/zinc/63/27/04/555632704.db2.gz KBMASUYRMITOKX-UHFFFAOYSA-N 0 0 435.492 4.961 50 0 IJAARN COC(=O)C1=CN(CCc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc2ccccc21 ZINC000001117562 555635257 /nfs/dbraw/zinc/63/52/57/555635257.db2.gz ODUOJFUXGPDKCY-UHFFFAOYSA-N 0 0 445.490 4.735 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl ZINC000001119018 555636095 /nfs/dbraw/zinc/63/60/95/555636095.db2.gz QNIHXWOOWYLHCI-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1OC ZINC000001120109 555637309 /nfs/dbraw/zinc/63/73/09/555637309.db2.gz CGYHVYRFQXKSIE-UHFFFAOYSA-N 0 0 438.871 4.509 50 0 IJAARN C[C@]1(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)Cc2ccccc2C(=O)O1 ZINC000001123264 555639052 /nfs/dbraw/zinc/63/90/52/555639052.db2.gz RVTOUUPDAZHNCC-OAQYLSRUSA-N 0 0 446.450 4.863 50 0 IJAARN O=C(CSc1nnc([C@@H](O)c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000001124787 555640279 /nfs/dbraw/zinc/64/02/79/555640279.db2.gz GECMDDJLWWWLSG-NRFANRHFSA-N 0 0 435.936 4.977 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000001126219 555640779 /nfs/dbraw/zinc/64/07/79/555640779.db2.gz DRLFPDGSAXPMOZ-LJQANCHMSA-N 0 0 444.869 4.612 50 0 IJAARN Cc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000001129335 555643346 /nfs/dbraw/zinc/64/33/46/555643346.db2.gz UFWRHZJTMGTRLR-UHFFFAOYSA-N 0 0 434.989 4.555 50 0 IJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3Cl)cc2oc1=O ZINC000001130871 555644500 /nfs/dbraw/zinc/64/45/00/555644500.db2.gz OGZOZYXLTFLNHS-UHFFFAOYSA-N 0 0 425.239 4.842 50 0 IJAARN CC(C)c1cc(I)ccc1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000001130923 555644511 /nfs/dbraw/zinc/64/45/11/555644511.db2.gz HXSWROCOSMHJIB-UHFFFAOYSA-N 0 0 446.288 4.821 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1CCc1ccccc1 ZINC000001132957 555645708 /nfs/dbraw/zinc/64/57/08/555645708.db2.gz OLJOBMWBYXZRPB-UHFFFAOYSA-N 0 0 448.519 4.937 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)o2)cc1 ZINC000001135459 555646917 /nfs/dbraw/zinc/64/69/17/555646917.db2.gz AQDFPGOWLDZBQT-UHFFFAOYSA-N 0 0 434.315 4.547 50 0 IJAARN COc1nnc(-c2ccc(C)c(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)c2ccccc21 ZINC000001137587 555647706 /nfs/dbraw/zinc/64/77/06/555647706.db2.gz IPAYWBRVWMVVMK-KRWDZBQOSA-N 0 0 433.533 4.653 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000001139243 555648842 /nfs/dbraw/zinc/64/88/42/555648842.db2.gz SPTHSJFTYXMQQI-UHFFFAOYSA-N 0 0 447.000 4.927 50 0 IJAARN COc1cc(CNC(=O)c2ccc(COc3ccccc3Cl)cc2)cc(OC)c1OC ZINC000001143221 555651175 /nfs/dbraw/zinc/65/11/75/555651175.db2.gz XLIUTITZOISOFE-UHFFFAOYSA-N 0 0 441.911 4.875 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Br)s1 ZINC000001157316 555659537 /nfs/dbraw/zinc/65/95/37/555659537.db2.gz TXVWWQSIYGTOSO-OAQYLSRUSA-N 0 0 442.334 4.518 50 0 IJAARN Cc1cc(I)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000001158999 555660873 /nfs/dbraw/zinc/66/08/73/555660873.db2.gz OQSOBKURZWFDEY-UHFFFAOYSA-N 0 0 435.183 4.636 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001162852 555663033 /nfs/dbraw/zinc/66/30/33/555663033.db2.gz BJIXGCARIBRUDD-UHFFFAOYSA-N 0 0 436.577 4.750 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 ZINC000001173060 555668155 /nfs/dbraw/zinc/66/81/55/555668155.db2.gz ZUNBOGFCIUJAIU-QGZVFWFLSA-N 0 0 427.456 4.532 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl ZINC000001173593 555668450 /nfs/dbraw/zinc/66/84/50/555668450.db2.gz SXTSQDBYPDCEJI-UHFFFAOYSA-N 0 0 443.912 4.711 50 0 IJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCCCCC1 ZINC000001174173 555668620 /nfs/dbraw/zinc/66/86/20/555668620.db2.gz PTNKYEMZRFJLKU-UHFFFAOYSA-N 0 0 441.380 4.591 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000001180820 555671708 /nfs/dbraw/zinc/67/17/08/555671708.db2.gz LZZQWAJOZAFTDU-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN S=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1 ZINC000001192065 555676082 /nfs/dbraw/zinc/67/60/82/555676082.db2.gz VGXHJWRCIPAFTC-UHFFFAOYSA-N 0 0 426.545 4.993 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000001192087 555676096 /nfs/dbraw/zinc/67/60/96/555676096.db2.gz KLASFXIYWGYPHP-XMMPIXPASA-N 0 0 436.533 4.552 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/NC(=S)N(c3ccccc3)C2=O)o1 ZINC000001196784 555677042 /nfs/dbraw/zinc/67/70/42/555677042.db2.gz UJPQMWGIKHCCRC-XSFVSMFZSA-N 0 0 426.501 4.703 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000001204928 555679998 /nfs/dbraw/zinc/67/99/98/555679998.db2.gz VUFILWLSBIGITP-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206760 555680914 /nfs/dbraw/zinc/68/09/14/555680914.db2.gz JAWJBVYNCJGMOD-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc(OC)c1OC ZINC000001210340 555682235 /nfs/dbraw/zinc/68/22/35/555682235.db2.gz AAWIZIYYRJSEJD-UHFFFAOYSA-N 0 0 434.448 4.787 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)cc(OC)c1OC ZINC000001215992 555683951 /nfs/dbraw/zinc/68/39/51/555683951.db2.gz LJVAWFUBMLZPBZ-UHFFFAOYSA-N 0 0 426.494 4.587 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(C)c1 ZINC000001265584 555688349 /nfs/dbraw/zinc/68/83/49/555688349.db2.gz XRNNXAJEKQZKST-UHFFFAOYSA-N 0 0 437.927 4.765 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)s2)cc1 ZINC000001305587 555689676 /nfs/dbraw/zinc/68/96/76/555689676.db2.gz PIUVJOPXNUSHAB-UHFFFAOYSA-N 0 0 448.591 4.831 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2)cc1 ZINC000009490258 555693399 /nfs/dbraw/zinc/69/33/99/555693399.db2.gz NVQUGJJCXPPGGW-CKJXQJPGSA-N 0 0 432.561 4.743 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000001446136 555699055 /nfs/dbraw/zinc/69/90/55/555699055.db2.gz NVZBLYSFAATEJH-FGZHOGPDSA-N 0 0 425.843 4.739 50 0 IJAARN COc1ccc(N(Cc2cc3cccc4c3n(c2=O)CCC4)C(=O)c2cccs2)cc1 ZINC000001501649 555702144 /nfs/dbraw/zinc/70/21/44/555702144.db2.gz BNLOOHKFUNQWGS-UHFFFAOYSA-N 0 0 430.529 4.865 50 0 IJAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOCCOc1ccccc1F ZINC000001837525 555719421 /nfs/dbraw/zinc/71/94/21/555719421.db2.gz QOBGCIFNPUWUPK-UHFFFAOYSA-N 0 0 438.886 4.952 50 0 IJAARN CCCOc1ccc(-c2csc3ncn(Cc4ccc(C(=O)OC)cc4)c(=O)c23)cc1 ZINC000001911994 555724445 /nfs/dbraw/zinc/72/44/45/555724445.db2.gz RIDOXIAHSDJUOE-UHFFFAOYSA-N 0 0 434.517 4.749 50 0 IJAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000002065670 555733381 /nfs/dbraw/zinc/73/33/81/555733381.db2.gz LTQDLLFRDOIOKB-OAHLLOKOSA-N 0 0 431.330 4.538 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccc(Br)cc1-2 ZINC000002086925 555740295 /nfs/dbraw/zinc/74/02/95/555740295.db2.gz UVYSJCKEQAIKRO-QGZVFWFLSA-N 0 0 445.342 4.925 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)OCCSC[C@@H]1COc2ccccc2O1 ZINC000002142545 555748456 /nfs/dbraw/zinc/74/84/56/555748456.db2.gz KGNKQMMBYJKXGU-HNNXBMFYSA-N 0 0 429.416 4.707 50 0 IJAARN CCOC(CN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC ZINC000002151235 555749675 /nfs/dbraw/zinc/74/96/75/555749675.db2.gz YQFPGEQPKBMNAS-UHFFFAOYSA-N 0 0 436.332 4.727 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000002265106 555763767 /nfs/dbraw/zinc/76/37/67/555763767.db2.gz YDQQXSJHUIPCIG-UHFFFAOYSA-N 0 0 433.537 4.583 50 0 IJAARN Cc1ccc(-n2c3nnc(S)n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002272754 555764279 /nfs/dbraw/zinc/76/42/79/555764279.db2.gz UZTNKMPNYZICMT-UHFFFAOYSA-N 0 0 428.561 4.902 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 ZINC000002347711 555770881 /nfs/dbraw/zinc/77/08/81/555770881.db2.gz NMEWMHYREHYMMZ-UHFFFAOYSA-N 0 0 448.548 4.792 50 0 IJAARN CCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002366267 555772632 /nfs/dbraw/zinc/77/26/32/555772632.db2.gz RABOQRCFZNLQJO-SFHVURJKSA-N 0 0 442.968 4.520 50 0 IJAARN COc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1OC ZINC000002376454 555773697 /nfs/dbraw/zinc/77/36/97/555773697.db2.gz PUUYPPMLFJNAKF-UHFFFAOYSA-N 0 0 437.308 4.756 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000002381432 555774277 /nfs/dbraw/zinc/77/42/77/555774277.db2.gz BXUWOEYSIXGIEF-UHFFFAOYSA-N 0 0 439.928 4.674 50 0 IJAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002384296 555774699 /nfs/dbraw/zinc/77/46/99/555774699.db2.gz DYCFFBXMROKHEN-UHFFFAOYSA-N 0 0 433.924 4.801 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002434100 555778785 /nfs/dbraw/zinc/77/87/85/555778785.db2.gz OPPOQXJVMXEJKC-HXUWFJFHSA-N 0 0 429.875 4.946 50 0 IJAARN CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000002480679 555783505 /nfs/dbraw/zinc/78/35/05/555783505.db2.gz GFVNZXQEYJIPBW-UHFFFAOYSA-N 0 0 431.510 4.898 50 0 IJAARN COc1ccc2c(c1)C1=C([C@@H](c3ccc(C)cc3)O2)[C@@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000002542243 555786407 /nfs/dbraw/zinc/78/64/07/555786407.db2.gz ZYXIFFHDPZZVEO-JWQCQUIFSA-N 0 0 440.478 4.947 50 0 IJAARN O=C(NCc1ccccc1F)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159007 555791149 /nfs/dbraw/zinc/79/11/49/555791149.db2.gz XORFOYQESUFAKW-UHFFFAOYSA-N 0 0 428.389 4.568 50 0 IJAARN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C(=O)c1ccccc1 ZINC000034687203 555803166 /nfs/dbraw/zinc/80/31/66/555803166.db2.gz IEZDUTGJJZRBFY-QFIPXVFZSA-N 0 0 434.502 4.705 50 0 IJAARN Cc1cccc(Cn2cnc3c2c(=O)n(C2CCCCC2)c(=O)n3-c2ccccc2Cl)c1 ZINC000034693031 555805980 /nfs/dbraw/zinc/80/59/80/555805980.db2.gz IGXZBWKLCBVHMR-UHFFFAOYSA-N 0 0 448.954 4.864 50 0 IJAARN COC(=O)c1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc(C(=O)OC)c1 ZINC000002737777 555806769 /nfs/dbraw/zinc/80/67/69/555806769.db2.gz IHFWAEUPAKESTC-NRFANRHFSA-N 0 0 435.501 4.732 50 0 IJAARN CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(Br)c4)cc3n2)cc1 ZINC000002737846 555806840 /nfs/dbraw/zinc/80/68/40/555806840.db2.gz PDOVLROHMKKRAX-UHFFFAOYSA-N 0 0 436.313 4.501 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCN(c3cc4oc5ccccc5c4cc3OC)C2=O)cc1 ZINC000034696177 555810599 /nfs/dbraw/zinc/81/05/99/555810599.db2.gz NSPOWGDMEVKYHH-GOSISDBHSA-N 0 0 430.460 4.595 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCC2)sc1NC(=O)c1ccc(Cl)cc1 ZINC000002762253 555813148 /nfs/dbraw/zinc/81/31/48/555813148.db2.gz FTWBVLZXCNOCQU-UHFFFAOYSA-N 0 0 434.945 4.811 50 0 IJAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000002769804 555815012 /nfs/dbraw/zinc/81/50/12/555815012.db2.gz DBZDBCXMXFABBN-SZNDQCEHSA-N 0 0 425.326 4.962 50 0 IJAARN Cn1c2ccccc2c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)nc21 ZINC000002776190 555818120 /nfs/dbraw/zinc/81/81/20/555818120.db2.gz QRUFNYLPOSRBIO-UHFFFAOYSA-N 0 0 425.517 4.974 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccsc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683775 555819461 /nfs/dbraw/zinc/81/94/61/555819461.db2.gz FTKPJXQGXLFPSQ-UHFFFAOYSA-N 0 0 426.607 4.916 50 0 IJAARN COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cccc(Cl)c1 ZINC000002796867 555822801 /nfs/dbraw/zinc/82/28/01/555822801.db2.gz JXOKQBLACFTJJS-UHFFFAOYSA-N 0 0 432.303 4.707 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708224 555822840 /nfs/dbraw/zinc/82/28/40/555822840.db2.gz WTAMVORCMIVZKN-FQRUVTKNSA-N 0 0 442.559 4.686 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2 ZINC000034708407 555823090 /nfs/dbraw/zinc/82/30/90/555823090.db2.gz JZDZHCCTYDBLHM-DQEYMECFSA-N 0 0 434.580 4.563 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713571 555826950 /nfs/dbraw/zinc/82/69/50/555826950.db2.gz AMGXYPNKZWRLMY-MRXNPFEDSA-N 0 0 448.466 4.715 50 0 IJAARN O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Br)o1 ZINC000002812929 555827823 /nfs/dbraw/zinc/82/78/23/555827823.db2.gz LEIHYBBQFFGBFH-UHFFFAOYSA-N 0 0 429.339 4.759 50 0 IJAARN Cc1cccc([C@H]2c3cc(O[C@@H](C)C(=O)NC(C)C)ccc3CCN2C(=O)c2ccco2)c1 ZINC000034713845 555828765 /nfs/dbraw/zinc/82/87/65/555828765.db2.gz KTVPQWVEQNJNHS-DFBJGRDBSA-N 0 0 446.547 4.668 50 0 IJAARN COc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2cc(C)ccc2C)cc1 ZINC000002818522 555829024 /nfs/dbraw/zinc/82/90/24/555829024.db2.gz PKONRXHBLKUGAD-DEOSSOPVSA-N 0 0 445.515 4.792 50 0 IJAARN COc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 ZINC000002821644 555829883 /nfs/dbraw/zinc/82/98/83/555829883.db2.gz ZXRKUHZCDQJAEX-DEOSSOPVSA-N 0 0 445.515 4.792 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000002828807 555831698 /nfs/dbraw/zinc/83/16/98/555831698.db2.gz YVORJZKAHIUSBX-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN O=C(CSc1ccccc1)NCc1cccc(CNC(=O)CSc2ccccc2)c1 ZINC000002836318 555832954 /nfs/dbraw/zinc/83/29/54/555832954.db2.gz JEPSSIHHLFRSDN-UHFFFAOYSA-N 0 0 436.602 4.504 50 0 IJAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000002843319 555836416 /nfs/dbraw/zinc/83/64/16/555836416.db2.gz CZEVQCGNCVAXCB-QZTJIDSGSA-N 0 0 446.623 4.664 50 0 IJAARN CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(Br)cc3CC)CC2=O)cc1 ZINC000002853772 555840834 /nfs/dbraw/zinc/84/08/34/555840834.db2.gz FRIBOLQUCOIFDK-MRXNPFEDSA-N 0 0 445.357 4.710 50 0 IJAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1NC(=O)COc1c(C)cccc1C ZINC000002855794 555841450 /nfs/dbraw/zinc/84/14/50/555841450.db2.gz WJRMTYJYPBAESF-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)c1C ZINC000002862372 555845376 /nfs/dbraw/zinc/84/53/76/555845376.db2.gz WKOUFJZKZRXTDF-UHFFFAOYSA-N 0 0 429.611 4.918 50 0 IJAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1I ZINC000002866769 555847778 /nfs/dbraw/zinc/84/77/78/555847778.db2.gz IPCHAUHASQAGRD-UHFFFAOYSA-N 0 0 448.304 4.606 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002869428 555849000 /nfs/dbraw/zinc/84/90/00/555849000.db2.gz BQLMGODUNAJHJQ-UHFFFAOYSA-N 0 0 426.498 4.654 50 0 IJAARN COc1cccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c1 ZINC000002874371 555851376 /nfs/dbraw/zinc/85/13/76/555851376.db2.gz RBRXUCKPSVEJLZ-MRXNPFEDSA-N 0 0 431.315 4.535 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)c1 ZINC000002875603 555851910 /nfs/dbraw/zinc/85/19/10/555851910.db2.gz SFGAZTMBZNMMPT-WBVHZDCISA-N 0 0 436.459 4.544 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000002877233 555852993 /nfs/dbraw/zinc/85/29/93/555852993.db2.gz PYKHEIMPCQLCTQ-AEFFLSMTSA-N 0 0 432.471 4.803 50 0 IJAARN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000002886453 555858374 /nfs/dbraw/zinc/85/83/74/555858374.db2.gz OTNXERFNPCFJCG-UHFFFAOYSA-N 0 0 442.562 4.535 50 0 IJAARN O=C(CSc1nnnn1-c1cccc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000002886526 555858411 /nfs/dbraw/zinc/85/84/11/555858411.db2.gz WBRVUUVDRQJHGR-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000002891177 555859996 /nfs/dbraw/zinc/85/99/96/555859996.db2.gz ININJKDDCJFYSR-UHFFFAOYSA-N 0 0 438.549 4.982 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NCC3CC3)cc2[C@H]1c1cccc(C)c1 ZINC000034717062 555866725 /nfs/dbraw/zinc/86/67/25/555866725.db2.gz KIBKUGYLBKLHQT-AOYPEHQESA-N 0 0 434.580 4.563 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1nccs1 ZINC000002972196 555869753 /nfs/dbraw/zinc/86/97/53/555869753.db2.gz REAZKQYVYCDKFA-UHFFFAOYSA-N 0 0 426.548 4.736 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000002978841 555871020 /nfs/dbraw/zinc/87/10/20/555871020.db2.gz SADXPSDDTZWSEI-UHFFFAOYSA-N 0 0 425.868 4.967 50 0 IJAARN Cc1c(Cl)cccc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccccc1 ZINC000002979460 555871549 /nfs/dbraw/zinc/87/15/49/555871549.db2.gz YTRVJYGLTFLZPD-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000002984159 555873725 /nfs/dbraw/zinc/87/37/25/555873725.db2.gz DMICBUVWYMFEFN-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN CC(C)c1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000002985530 555874003 /nfs/dbraw/zinc/87/40/03/555874003.db2.gz HBFROKBBCRBXSX-UHFFFAOYSA-N 0 0 430.614 4.802 50 0 IJAARN O=C(C1CCN(C(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002998077 555876654 /nfs/dbraw/zinc/87/66/54/555876654.db2.gz GOBBCJPRTLWSIM-UHFFFAOYSA-N 0 0 430.523 4.907 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1=O ZINC000034734458 555879074 /nfs/dbraw/zinc/87/90/74/555879074.db2.gz KIJPOPHEYNGQHW-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COC(=O)C[C@H](O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000003091303 555885495 /nfs/dbraw/zinc/88/54/95/555885495.db2.gz BOCZYIUKFAQNLG-RXKWHAPPSA-N 0 0 425.500 4.717 50 0 IJAARN O=S(=O)(Oc1ccc(Cl)cc1)c1sc(Br)cc1Br ZINC000003119779 555888770 /nfs/dbraw/zinc/88/87/70/555888770.db2.gz JWSMDZBSFQGSES-UHFFFAOYSA-N 0 0 432.542 4.694 50 0 IJAARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000034755635 555900764 /nfs/dbraw/zinc/90/07/64/555900764.db2.gz WZNDAZXDNNMEHD-UHFFFAOYSA-N 0 0 448.542 4.965 50 0 IJAARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccsc2)CC3)cc1 ZINC000034755912 555901016 /nfs/dbraw/zinc/90/10/16/555901016.db2.gz DLOSBUPYIAIAED-UHFFFAOYSA-N 0 0 436.581 4.888 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccccc1F)CC2 ZINC000034758200 555902910 /nfs/dbraw/zinc/90/29/10/555902910.db2.gz FEQFXZHKXIZBIK-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN COc1cccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)C[C@H]2C)c1 ZINC000034812591 555909804 /nfs/dbraw/zinc/90/98/04/555909804.db2.gz BARZPPNGLXEAEI-GOSISDBHSA-N 0 0 427.504 4.726 50 0 IJAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)NCc3ccccc3F)cc21 ZINC000034836089 555914217 /nfs/dbraw/zinc/91/42/17/555914217.db2.gz ZEZJVVKYBBLDQZ-UHFFFAOYSA-N 0 0 444.506 4.913 50 0 IJAARN CCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034905473 555919830 /nfs/dbraw/zinc/91/98/30/555919830.db2.gz JSQAWAFZCXKDLD-WOJBJXKFSA-N 0 0 443.613 4.686 50 0 IJAARN C[C@@H](CC(=O)NCCCNC(=O)c1csc(COc2ccccc2F)n1)CC(C)(C)C ZINC000034905907 555920041 /nfs/dbraw/zinc/92/00/41/555920041.db2.gz KMSHOGGYRSYWJS-INIZCTEOSA-N 0 0 449.592 4.560 50 0 IJAARN COc1ccc(F)cc1[C@H]1CCc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2C1 ZINC000034899032 555928498 /nfs/dbraw/zinc/92/84/98/555928498.db2.gz BBDJMMOBQWGMLM-NRFANRHFSA-N 0 0 447.554 4.856 50 0 IJAARN O=C(NCCc1ccccn1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1 ZINC000034900828 555929322 /nfs/dbraw/zinc/92/93/22/555929322.db2.gz FBXPJVYWBMUREX-FQEVSTJZSA-N 0 0 431.584 4.512 50 0 IJAARN CCOc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916879 555930626 /nfs/dbraw/zinc/93/06/26/555930626.db2.gz CIXBHFFPUHSFBU-WIOPSUGQSA-N 0 0 428.532 4.538 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)C2CCCCC2)cc1 ZINC000034921451 555931878 /nfs/dbraw/zinc/93/18/78/555931878.db2.gz MVBPSROGCLLOEB-UHFFFAOYSA-N 0 0 433.545 4.663 50 0 IJAARN COc1cccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCCOc2ccccc2)c1 ZINC000034922030 555932361 /nfs/dbraw/zinc/93/23/61/555932361.db2.gz RGBGDCQVKJOYSD-UHFFFAOYSA-N 0 0 440.503 4.705 50 0 IJAARN O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000003652709 555943974 /nfs/dbraw/zinc/94/39/74/555943974.db2.gz FTTCAZTVYOJXEB-OEAKJJBVSA-N 0 0 425.463 4.922 50 0 IJAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000004015827 555952779 /nfs/dbraw/zinc/95/27/79/555952779.db2.gz IVKLTXNLNLZXFR-YCIYHOANSA-N 0 0 444.328 4.898 50 0 IJAARN COc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccccc4Cl)n3)c2c1 ZINC000603329026 556070352 /nfs/dbraw/zinc/07/03/52/556070352.db2.gz OMMQDLBUCIORRM-UHFFFAOYSA-N 0 0 425.941 4.855 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1-c1cccc(Cl)c1 ZINC000006444318 556087699 /nfs/dbraw/zinc/08/76/99/556087699.db2.gz AZVFEAISHKWTHE-UHFFFAOYSA-N 0 0 426.851 4.979 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 ZINC000010573037 556090695 /nfs/dbraw/zinc/09/06/95/556090695.db2.gz GXBDOKIQDRQUER-UHFFFAOYSA-N 0 0 425.329 4.904 50 0 IJAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F ZINC000006821299 556105171 /nfs/dbraw/zinc/10/51/71/556105171.db2.gz STQAOONVQUCQKU-GDLCADMTSA-N 0 0 430.858 4.734 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(OC)cc3)c3ccc(OC)cc3c2=O)cc1 ZINC000002687718 556119018 /nfs/dbraw/zinc/11/90/18/556119018.db2.gz GHKZOSLOVNNWHH-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN Cc1ccc(C)c(Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002692255 556120546 /nfs/dbraw/zinc/12/05/46/556120546.db2.gz ZKKZMFCAIVAGHD-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002704263 556123616 /nfs/dbraw/zinc/12/36/16/556123616.db2.gz ZEBFXNSYTYTNHG-JOCHJYFZSA-N 0 0 447.874 4.906 50 0 IJAARN COc1ccc(OC)c([C@@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000002707419 556124140 /nfs/dbraw/zinc/12/41/40/556124140.db2.gz BUSVAYFGAINJGG-DHIUTWEWSA-N 0 0 444.516 4.917 50 0 IJAARN Cc1cccc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)c1 ZINC000002722233 556127984 /nfs/dbraw/zinc/12/79/84/556127984.db2.gz UMWZDIAJCZNJQS-UHFFFAOYSA-N 0 0 436.508 4.550 50 0 IJAARN O=C(CSCC(=O)N1CCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000002723408 556128429 /nfs/dbraw/zinc/12/84/29/556128429.db2.gz XVPDOBROUYJVOK-UHFFFAOYSA-N 0 0 437.590 4.771 50 0 IJAARN C[C@@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C(F)(F)F)nn5C)nc4c23)C1 ZINC000002788879 556139146 /nfs/dbraw/zinc/13/91/46/556139146.db2.gz JQBYHCUDPZYISU-SSDOTTSWSA-N 0 0 426.855 4.537 50 0 IJAARN Cn1ncc2c3nc(-c4cccc(COc5cc(Cl)ccc5Cl)c4)nn3cnc21 ZINC000002800110 556142120 /nfs/dbraw/zinc/14/21/20/556142120.db2.gz BGNYPLZPNJUGDA-UHFFFAOYSA-N 0 0 425.279 4.564 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCCC4)sc3c2)cc1 ZINC000002818984 556146189 /nfs/dbraw/zinc/14/61/89/556146189.db2.gz MTRCKIHEFDCUDS-UHFFFAOYSA-N 0 0 425.579 4.962 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 ZINC000002971118 556152050 /nfs/dbraw/zinc/15/20/50/556152050.db2.gz MVPCHQXVYSFUJL-UHFFFAOYSA-N 0 0 443.572 4.932 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 ZINC000003024410 556157291 /nfs/dbraw/zinc/15/72/91/556157291.db2.gz SRBFNUFJJXRGTO-UHFFFAOYSA-N 0 0 446.931 4.942 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F ZINC000003023397 556157342 /nfs/dbraw/zinc/15/73/42/556157342.db2.gz GWXWZLBRLMEMBQ-ORAYPTAESA-N 0 0 438.952 4.897 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3n2)c1 ZINC000008400461 556165875 /nfs/dbraw/zinc/16/58/75/556165875.db2.gz LMZDWUSQIGTRRJ-CQSZACIVSA-N 0 0 440.425 4.915 50 0 IJAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000008400465 556166185 /nfs/dbraw/zinc/16/61/85/556166185.db2.gz QEHUTJISNCCAGU-NVXWUHKLSA-N 0 0 435.837 4.522 50 0 IJAARN CCOC(=O)C1=NN(c2ccccc2)[C@]2(C=C(c3ccccc3)OC2=O)[C@@H]1c1ccccc1 ZINC000008430769 556170465 /nfs/dbraw/zinc/17/04/65/556170465.db2.gz JSEIHGWIRWYXJK-YIXXDRMTSA-N 0 0 438.483 4.546 50 0 IJAARN COc1ccc(-c2c3c(nc4sc5c(nnn(-c6ccccc6)c5=O)c42)CCC3)cc1 ZINC000008450774 556181681 /nfs/dbraw/zinc/18/16/81/556181681.db2.gz DHKXDNXHBGUOOC-UHFFFAOYSA-N 0 0 426.501 4.555 50 0 IJAARN O=C(Oc1ccc(Cc2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008451435 556182212 /nfs/dbraw/zinc/18/22/12/556182212.db2.gz VBSHYQKXYIZILX-JPRHTOOBSA-N 0 0 449.506 4.808 50 0 IJAARN c1ccc(C(c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)c2ccccc2)cc1 ZINC000008453204 556183893 /nfs/dbraw/zinc/18/38/93/556183893.db2.gz RPVRULIDVDMYOA-HXUWFJFHSA-N 0 0 426.501 4.879 50 0 IJAARN COc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000008586967 556188317 /nfs/dbraw/zinc/18/83/17/556188317.db2.gz BKJRSANPIJHPQH-IBGZPJMESA-N 0 0 427.504 4.622 50 0 IJAARN COc1cc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)ccc1O ZINC000008590020 556188613 /nfs/dbraw/zinc/18/86/13/556188613.db2.gz QZINTYDNAUQPGJ-XMMPIXPASA-N 0 0 429.451 4.988 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000008595451 556190299 /nfs/dbraw/zinc/19/02/99/556190299.db2.gz BDQKQMBEJPKGEG-QFIPXVFZSA-N 0 0 445.500 4.770 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1 ZINC000008648130 556195961 /nfs/dbraw/zinc/19/59/61/556195961.db2.gz STKIWDBRCHPEDW-UHFFFAOYSA-N 0 0 444.984 4.839 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000008687032 556199926 /nfs/dbraw/zinc/19/99/26/556199926.db2.gz ZSXIKEGUNOZZJM-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN S=C(Nc1ccc(Cl)cc1Cl)N1CCC(n2nnc(-c3cccs3)n2)CC1 ZINC000008694566 556200863 /nfs/dbraw/zinc/20/08/63/556200863.db2.gz OJDRGVFUZCFIFL-UHFFFAOYSA-N 0 0 439.397 4.742 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccccc2Br)c(-n2nc3ccccc3n2)c1 ZINC000008721996 556203051 /nfs/dbraw/zinc/20/30/51/556203051.db2.gz LRIRYZBMLVSFEA-UHFFFAOYSA-N 0 0 437.297 4.509 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1C ZINC000008744315 556208509 /nfs/dbraw/zinc/20/85/09/556208509.db2.gz RKCPTIHDNHFRPW-UHFFFAOYSA-N 0 0 439.494 4.842 50 0 IJAARN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1NC(C)=O ZINC000008746750 556210108 /nfs/dbraw/zinc/21/01/08/556210108.db2.gz RVGXYKUSJOCNGP-UHFFFAOYSA-N 0 0 426.494 4.555 50 0 IJAARN CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)cc1 ZINC000008782399 556214884 /nfs/dbraw/zinc/21/48/84/556214884.db2.gz LYNFXMFFZFDSDQ-UHFFFAOYSA-N 0 0 438.553 4.765 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)c1 ZINC000009059502 556243530 /nfs/dbraw/zinc/24/35/30/556243530.db2.gz ZVQDJIRONJMZRG-PMACEKPBSA-N 0 0 444.457 4.824 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000009161226 556249825 /nfs/dbraw/zinc/24/98/25/556249825.db2.gz FRCXOXKNSIUCQJ-OAQYLSRUSA-N 0 0 432.863 4.908 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1 ZINC000009195013 556254502 /nfs/dbraw/zinc/25/45/02/556254502.db2.gz SJYNLTDTZHPKKM-SFHVURJKSA-N 0 0 434.330 4.587 50 0 IJAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 ZINC000009199262 556257049 /nfs/dbraw/zinc/25/70/49/556257049.db2.gz YUSCLKVDTYCLEY-CQSZACIVSA-N 0 0 426.929 4.527 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(F)c3)C2=O)cc1 ZINC000009225579 556259244 /nfs/dbraw/zinc/25/92/44/556259244.db2.gz GKUPVOFUHMGLMT-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009226943 556260696 /nfs/dbraw/zinc/26/06/96/556260696.db2.gz JMBNLDKDNSISPX-QGZVFWFLSA-N 0 0 434.517 4.583 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239581 556266056 /nfs/dbraw/zinc/26/60/56/556266056.db2.gz NKPFMPWDXKTYJX-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239620 556266376 /nfs/dbraw/zinc/26/63/76/556266376.db2.gz KZXHVGWJMLBBRF-FCHUYYIVSA-N 0 0 435.597 4.808 50 0 IJAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000009262260 556269507 /nfs/dbraw/zinc/26/95/07/556269507.db2.gz SGYHKZXNKFXPTE-FHXOWUIVSA-N 0 0 431.897 4.517 50 0 IJAARN COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289571 556273741 /nfs/dbraw/zinc/27/37/41/556273741.db2.gz XUFCVZYUDZINAQ-XMMPIXPASA-N 0 0 440.503 4.987 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009294987 556274619 /nfs/dbraw/zinc/27/46/19/556274619.db2.gz FIWYDTFIZBIORY-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN Clc1ccc(SCc2nnc3sc(-c4cncc(Br)c4)nn23)cc1 ZINC000013691354 556280685 /nfs/dbraw/zinc/28/06/85/556280685.db2.gz WQWOMJQYZNQIAG-UHFFFAOYSA-N 0 0 438.763 4.956 50 0 IJAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)cc1OC ZINC000013692718 556282374 /nfs/dbraw/zinc/28/23/74/556282374.db2.gz RPMSLFOQJBJOLK-UHFFFAOYSA-N 0 0 444.487 4.533 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009363920 556285788 /nfs/dbraw/zinc/28/57/88/556285788.db2.gz NEYHJMLAAJRMTN-UHFFFAOYSA-N 0 0 446.878 4.786 50 0 IJAARN Cc1c(NC=C(Cl)P(=O)(OC(C)C)OC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000009510853 556295762 /nfs/dbraw/zinc/29/57/62/556295762.db2.gz ZXIAJGWUECUQLI-SFQUDFHCSA-N 0 0 427.869 4.977 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccc(Br)cc1-2 ZINC000009557711 556297953 /nfs/dbraw/zinc/29/79/53/556297953.db2.gz ZGIBXDQYXQOWEV-INIZCTEOSA-N 0 0 430.331 4.701 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)O[C@@H]4CCC[C@@H]4C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559809 556298223 /nfs/dbraw/zinc/29/82/23/556298223.db2.gz GYNIGXQVEMIMCO-ZUEVXXBESA-N 0 0 441.524 4.607 50 0 IJAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OCCc4ccccc4)c(C)c3C(=O)C2)c1 ZINC000009559782 556298281 /nfs/dbraw/zinc/29/82/81/556298281.db2.gz BRBPCUSRZBWFDN-GOSISDBHSA-N 0 0 433.504 4.653 50 0 IJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000013749841 556298723 /nfs/dbraw/zinc/29/87/23/556298723.db2.gz PCSUNIYVEALHKH-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013758652 556301209 /nfs/dbraw/zinc/30/12/09/556301209.db2.gz WTGWVVNWSIZOJE-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1ccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661647 556304607 /nfs/dbraw/zinc/30/46/07/556304607.db2.gz XBSVVNSONXKFKL-UHFFFAOYSA-N 0 0 434.499 4.748 50 0 IJAARN Cc1cc(C)nc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)n1 ZINC000009698446 556306617 /nfs/dbraw/zinc/30/66/17/556306617.db2.gz DVHOIEYTNIOVGL-JOCHJYFZSA-N 0 0 429.549 4.922 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000009730608 556307920 /nfs/dbraw/zinc/30/79/20/556307920.db2.gz VDIGURBSDYFYLZ-UHFFFAOYSA-N 0 0 438.549 4.645 50 0 IJAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C[C@H](C)O1 ZINC000013786220 556309095 /nfs/dbraw/zinc/30/90/95/556309095.db2.gz NPXSDQZKPRZKDZ-GASCZTMLSA-N 0 0 448.997 4.928 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1C ZINC000009830238 556309947 /nfs/dbraw/zinc/30/99/47/556309947.db2.gz ICOFXMMONWOECU-UHFFFAOYSA-N 0 0 436.508 4.605 50 0 IJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc32)c1 ZINC000009829915 556310040 /nfs/dbraw/zinc/31/00/40/556310040.db2.gz LCZZDTYTMAKBCM-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013805379 556311131 /nfs/dbraw/zinc/31/11/31/556311131.db2.gz WFHMXRPZEIGOIW-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN CCN(Cc1csc(NC(C)=O)n1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000032751552 556313535 /nfs/dbraw/zinc/31/35/35/556313535.db2.gz JCTSNTQSMTWIFL-UHFFFAOYSA-N 0 0 431.583 4.773 50 0 IJAARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000009934064 556317845 /nfs/dbraw/zinc/31/78/45/556317845.db2.gz OPHPOHLALVXDPA-XMMPIXPASA-N 0 0 435.568 4.552 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000009971816 556319498 /nfs/dbraw/zinc/31/94/98/556319498.db2.gz HWHTUVTUZCLXEG-HSZRJFAPSA-N 0 0 444.535 4.656 50 0 IJAARN COCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000013847888 556319670 /nfs/dbraw/zinc/31/96/70/556319670.db2.gz MXYTXILIKBENTB-UHFFFAOYSA-N 0 0 434.561 4.916 50 0 IJAARN CCc1cc2c(CN3CCN([C@@H](C)c4nc5ccccc5s4)CC3)cc(=O)oc2cc1O ZINC000032759554 556319863 /nfs/dbraw/zinc/31/98/63/556319863.db2.gz JELFTJCTKBIQNF-INIZCTEOSA-N 0 0 449.576 4.550 50 0 IJAARN CCCc1ccc([C@@H](NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c2cccs2)cc1 ZINC000032759779 556320205 /nfs/dbraw/zinc/32/02/05/556320205.db2.gz WKPBAFASBJUPLX-JOCHJYFZSA-N 0 0 442.606 4.900 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCCC1 ZINC000013855781 556320792 /nfs/dbraw/zinc/32/07/92/556320792.db2.gz CDFGKRKXPHUAMP-UHFFFAOYSA-N 0 0 440.487 4.831 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1[C@H](C)Oc1ccccc1 ZINC000013858104 556321629 /nfs/dbraw/zinc/32/16/29/556321629.db2.gz CUDSAODKFLTNAG-ZDUSSCGKSA-N 0 0 432.933 4.528 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000013857599 556321652 /nfs/dbraw/zinc/32/16/52/556321652.db2.gz JDZVQNMSEINRDU-RTBURBONSA-N 0 0 431.319 4.726 50 0 IJAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000010010217 556322093 /nfs/dbraw/zinc/32/20/93/556322093.db2.gz SIIUUQJNEJXGID-UHFFFAOYSA-N 0 0 448.335 4.983 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000010060196 556324479 /nfs/dbraw/zinc/32/44/79/556324479.db2.gz HVBVCNBUBBASAC-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000010060203 556324662 /nfs/dbraw/zinc/32/46/62/556324662.db2.gz JXTSFMXEJBBSIC-UHFFFAOYSA-N 0 0 439.537 4.513 50 0 IJAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(OC(C)C)c2)no1 ZINC000010233022 556328411 /nfs/dbraw/zinc/32/84/11/556328411.db2.gz CLHQXOBCJVQMOT-OAQYLSRUSA-N 0 0 434.423 4.766 50 0 IJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(CN3CCCC3=O)c2)n1 ZINC000032768179 556333244 /nfs/dbraw/zinc/33/32/44/556333244.db2.gz PGSAWXQMYRLZNE-UHFFFAOYSA-N 0 0 430.533 4.975 50 0 IJAARN Cc1cccc(COn2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2=O)c1 ZINC000011024795 556339045 /nfs/dbraw/zinc/33/90/45/556339045.db2.gz AHKXMEUJASDGQJ-UHFFFAOYSA-N 0 0 426.472 4.830 50 0 IJAARN COc1ccccc1[C@H]1c2c(oc3cc(C)c(Cl)cc3c2=O)C(=O)N1c1cc(C)on1 ZINC000011614347 556342432 /nfs/dbraw/zinc/34/24/32/556342432.db2.gz HBQXNRBSQTWPSM-FQEVSTJZSA-N 0 0 436.851 4.810 50 0 IJAARN CCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2NC(=O)COc2ccccc2)cc1 ZINC000013945754 556342733 /nfs/dbraw/zinc/34/27/33/556342733.db2.gz RWKWYQURSDCCNI-UHFFFAOYSA-N 0 0 432.476 4.580 50 0 IJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000011666310 556346039 /nfs/dbraw/zinc/34/60/39/556346039.db2.gz ZIWFHSNQKVJELT-MRXNPFEDSA-N 0 0 437.446 4.643 50 0 IJAARN Cc1ccc(Cn2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4C)n2)cc1 ZINC000013960969 556348649 /nfs/dbraw/zinc/34/86/49/556348649.db2.gz HDWLQDVYFGLMBN-UHFFFAOYSA-N 0 0 426.524 4.529 50 0 IJAARN CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000011784373 556352486 /nfs/dbraw/zinc/35/24/86/556352486.db2.gz OWPVDCUZZSBEPT-UNMCSNQZSA-N 0 0 428.557 4.557 50 0 IJAARN COc1cccc(-c2noc(CS[C@@H](C)C(=O)Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000032779087 556352477 /nfs/dbraw/zinc/35/24/77/556352477.db2.gz LPRXAHPRHHCFIX-LBPRGKRZSA-N 0 0 433.917 4.668 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032779148 556352515 /nfs/dbraw/zinc/35/25/15/556352515.db2.gz JPNLTTWVRPGGOV-ZDUSSCGKSA-N 0 0 433.455 4.966 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000014018011 556355975 /nfs/dbraw/zinc/35/59/75/556355975.db2.gz YIIGRHNKUMXGOM-UHFFFAOYSA-N 0 0 444.560 4.502 50 0 IJAARN COc1ccc(C(=O)CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)cc1 ZINC000011821339 556362739 /nfs/dbraw/zinc/36/27/39/556362739.db2.gz FPRHQROPSCAWOB-HHHXNRCGSA-N 0 0 439.515 4.709 50 0 IJAARN COc1cc(S(=O)(=O)Nc2ccc(Oc3cccc(C)c3)cc2)ccc1NC(C)=O ZINC000014093860 556366149 /nfs/dbraw/zinc/36/61/49/556366149.db2.gz NQFPOIVDMWMIOU-UHFFFAOYSA-N 0 0 426.494 4.555 50 0 IJAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Br)cc2)CC1=O ZINC000014095526 556367170 /nfs/dbraw/zinc/36/71/70/556367170.db2.gz OZPBABXGJJGHOC-QGZVFWFLSA-N 0 0 426.358 4.963 50 0 IJAARN COc1ccc(OC)c2c1CN(c1nc(C)nc3scc(-c4cccs4)c31)C[C@@H]2O ZINC000032808476 556368531 /nfs/dbraw/zinc/36/85/31/556368531.db2.gz KZLHVAHBUOYWSE-HNNXBMFYSA-N 0 0 439.562 4.799 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1nnc(-c2ccccc2Br)n1 ZINC000014124086 556372946 /nfs/dbraw/zinc/37/29/46/556372946.db2.gz JDGMVFAEIBJFCD-HNNXBMFYSA-N 0 0 448.324 4.969 50 0 IJAARN CC[C@H](c1nnc(SCc2nc(-c3cccs3)no2)n1Cc1ccccc1)N(C)C ZINC000014137773 556375895 /nfs/dbraw/zinc/37/58/95/556375895.db2.gz PNAKXGBXYJCSBT-MRXNPFEDSA-N 0 0 440.598 4.743 50 0 IJAARN CSc1nnc(CN(C)Cc2ccc(-c3ccc(Cl)cc3)o2)n1C[C@@H]1CCCO1 ZINC000011964124 556381396 /nfs/dbraw/zinc/38/13/96/556381396.db2.gz LRLZBXZOPILZQR-KRWDZBQOSA-N 0 0 432.977 4.724 50 0 IJAARN COc1cc(C[C@]2(CCC(=O)N[C@@H](C)c3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011974263 556382821 /nfs/dbraw/zinc/38/28/21/556382821.db2.gz FRCWBTBVCXOJNK-MYUZEXMDSA-N 0 0 448.538 4.836 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)OCCCO5)c(=O)c23)s1 ZINC000014184261 556384570 /nfs/dbraw/zinc/38/45/70/556384570.db2.gz YEIJFKIAOVYOPE-UHFFFAOYSA-N 0 0 438.530 4.539 50 0 IJAARN Cc1cccc(OCCN(C)C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 ZINC000014196905 556388375 /nfs/dbraw/zinc/38/83/75/556388375.db2.gz HJVCIGLEDUUKEL-UHFFFAOYSA-N 0 0 442.515 4.563 50 0 IJAARN O=C1CC[C@@H]2CN(Cc3c(F)cccc3F)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000012037514 556390137 /nfs/dbraw/zinc/39/01/37/556390137.db2.gz GMTWKMQUQZZRTR-IERDGZPVSA-N 0 0 438.440 4.997 50 0 IJAARN COc1cc(C(=O)NCc2ccc(C)n2C)cc(Br)c1OCc1ccccc1 ZINC000014200010 556390564 /nfs/dbraw/zinc/39/05/64/556390564.db2.gz WBVBUTFGGHLSBK-UHFFFAOYSA-N 0 0 443.341 4.614 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@@H](C)NC(=O)Cc3cccc4ccccc43)c2)cs1 ZINC000014200580 556391113 /nfs/dbraw/zinc/39/11/13/556391113.db2.gz USQYYFFMBVZCPD-MRXNPFEDSA-N 0 0 429.545 4.958 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)nnc2SC)cc1 ZINC000012047903 556391832 /nfs/dbraw/zinc/39/18/32/556391832.db2.gz CBWOEAKHFTXZTF-UHFFFAOYSA-N 0 0 448.523 4.734 50 0 IJAARN Cc1nc(CC(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)cs1 ZINC000012048434 556391863 /nfs/dbraw/zinc/39/18/63/556391863.db2.gz ZHVZIHYSQSXTTF-INIZCTEOSA-N 0 0 432.467 4.800 50 0 IJAARN Cc1ccc(C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cn1 ZINC000012053050 556393206 /nfs/dbraw/zinc/39/32/06/556393206.db2.gz XNCZEOSUWPLACB-UHFFFAOYSA-N 0 0 433.596 4.504 50 0 IJAARN Cc1ccc(-c2nc(CN3C(=O)[C@@H](c4ccccc4)N(Cc4ccccc4)C3=O)no2)cc1 ZINC000032818834 556393727 /nfs/dbraw/zinc/39/37/27/556393727.db2.gz SCPBUQPRSRJQFX-HSZRJFAPSA-N 0 0 438.487 4.751 50 0 IJAARN O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccc1N1CCc2ccccc21 ZINC000032809930 556394919 /nfs/dbraw/zinc/39/49/19/556394919.db2.gz OBRIRJYENNAZKI-UHFFFAOYSA-N 0 0 435.474 4.808 50 0 IJAARN O=C(COC(=O)c1ccc(OCc2cccnc2)cc1)c1ccc(Br)s1 ZINC000032809867 556394936 /nfs/dbraw/zinc/39/49/36/556394936.db2.gz AGRCFTNSMORISS-UHFFFAOYSA-N 0 0 432.295 4.524 50 0 IJAARN COc1cccc([C@H]2CCCCN2C(=O)c2cn(Cc3cccc4ccccc43)nn2)c1 ZINC000012073984 556396757 /nfs/dbraw/zinc/39/67/57/556396757.db2.gz HZWVJYCOXNDEEY-RUZDIDTESA-N 0 0 426.520 4.856 50 0 IJAARN CCC(=O)N(c1nnc(SCc2cc(Br)ccc2OC)s1)C1CC1 ZINC000014244230 556403967 /nfs/dbraw/zinc/40/39/67/556403967.db2.gz PRGUOCPMYDZJRF-UHFFFAOYSA-N 0 0 428.377 4.507 50 0 IJAARN Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(Br)c1 ZINC000032578621 556405228 /nfs/dbraw/zinc/40/52/28/556405228.db2.gz ZFCNDZVDRFZJHQ-UHFFFAOYSA-N 0 0 430.302 4.948 50 0 IJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Br)c(F)c3)cc2)n1 ZINC000032578913 556406034 /nfs/dbraw/zinc/40/60/34/556406034.db2.gz HEEUVGIVUXOLGY-UHFFFAOYSA-N 0 0 434.265 4.779 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000014251711 556409315 /nfs/dbraw/zinc/40/93/15/556409315.db2.gz FZTHSANEJYBXSR-UHFFFAOYSA-N 0 0 447.944 4.638 50 0 IJAARN CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@@H](CC)CO)c2c1C ZINC000014254851 556410383 /nfs/dbraw/zinc/41/03/83/556410383.db2.gz NPOIVVULESAFID-AWEZNQCLSA-N 0 0 431.583 4.652 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219344465 556412457 /nfs/dbraw/zinc/41/24/57/556412457.db2.gz XQLLRELQZCYPBY-QGZVFWFLSA-N 0 0 448.354 4.596 50 0 IJAARN CCOc1c(Br)cc(C(=O)O[C@H](C)C(=O)c2ccc(F)c(F)c2)cc1OC ZINC000014358013 556414118 /nfs/dbraw/zinc/41/41/18/556414118.db2.gz SZBKZGINBQTVOC-SNVBAGLBSA-N 0 0 443.240 4.563 50 0 IJAARN O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000012977431 556422532 /nfs/dbraw/zinc/42/25/32/556422532.db2.gz JSPHSMJJWLJECR-DEOSSOPVSA-N 0 0 444.531 4.667 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977783 556422767 /nfs/dbraw/zinc/42/27/67/556422767.db2.gz DDBOKRGXPRNPGG-SJAGGWKPSA-N 0 0 449.364 4.734 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)ccc1Cl ZINC000012986255 556426743 /nfs/dbraw/zinc/42/67/43/556426743.db2.gz AWJDBTNDACZZTG-UHFFFAOYSA-N 0 0 441.768 4.723 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012992995 556429256 /nfs/dbraw/zinc/42/92/56/556429256.db2.gz WXKYPTJUCKDAHU-HNNXBMFYSA-N 0 0 447.862 4.656 50 0 IJAARN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845955 556429691 /nfs/dbraw/zinc/42/96/91/556429691.db2.gz VTVNPNVASTXUAM-JUYOQADGSA-N 0 0 442.559 4.971 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)c2ccccc12 ZINC000012994817 556430272 /nfs/dbraw/zinc/43/02/72/556430272.db2.gz KCADLCAEQYVCPA-LJQANCHMSA-N 0 0 430.504 4.542 50 0 IJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000014673337 556431741 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Cc1ccccc1OCc1nnc(SCc2nnsc2Cl)n1-c1ccccc1 ZINC000013128156 556477530 /nfs/dbraw/zinc/47/75/30/556477530.db2.gz CHSUEBUTDZILDH-UHFFFAOYSA-N 0 0 429.958 4.952 50 0 IJAARN O=C(NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)c1ccc(C(F)(F)F)cc1 ZINC000014995666 556477667 /nfs/dbraw/zinc/47/76/67/556477667.db2.gz VRANFIMJDBZNAB-KRWDZBQOSA-N 0 0 433.817 4.549 50 0 IJAARN COc1ccc([C@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(OC)c1 ZINC000013128743 556478156 /nfs/dbraw/zinc/47/81/56/556478156.db2.gz JRVQWADAOSAHAA-QGZVFWFLSA-N 0 0 437.521 4.599 50 0 IJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013134647 556482518 /nfs/dbraw/zinc/48/25/18/556482518.db2.gz DMPKOXFQFUWYAR-UHFFFAOYSA-N 0 0 449.359 4.895 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)[nH]c(=O)c2c1C ZINC000015014613 556484506 /nfs/dbraw/zinc/48/45/06/556484506.db2.gz UILYHTXRAJTGJI-JTQLQIEISA-N 0 0 425.938 4.654 50 0 IJAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc(CC)c1 ZINC000013137823 556484694 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Cc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)sc2c1 ZINC000013146359 556488340 /nfs/dbraw/zinc/48/83/40/556488340.db2.gz IFHMVTBIBBOPMO-UHFFFAOYSA-N 0 0 427.485 4.653 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnc(-c3ccoc3C)o2)cs1 ZINC000030024888 556489487 /nfs/dbraw/zinc/48/94/87/556489487.db2.gz WEFDTCLIYIZZNY-UHFFFAOYSA-N 0 0 438.534 4.751 50 0 IJAARN c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)no2)c1 ZINC000030025419 556489594 /nfs/dbraw/zinc/48/95/94/556489594.db2.gz MZVIODYJPJIIGZ-LBPRGKRZSA-N 0 0 431.568 4.589 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000030172916 556490953 /nfs/dbraw/zinc/49/09/53/556490953.db2.gz WRKGNGCWFDKIAR-KRWDZBQOSA-N 0 0 443.862 4.812 50 0 IJAARN NC(=O)N[C@@H](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Cl ZINC000030135265 556490986 /nfs/dbraw/zinc/49/09/86/556490986.db2.gz TXIKNVXNOPNMSF-PXNSSMCTSA-N 0 0 431.920 4.546 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000013150145 556492218 /nfs/dbraw/zinc/49/22/18/556492218.db2.gz FRSQICCGCRHJKK-UHFFFAOYSA-N 0 0 428.941 4.873 50 0 IJAARN Cc1nc(C(=O)NCc2nnc(SCc3ccccc3Cl)n2CC(C)C)cs1 ZINC000015072656 556497072 /nfs/dbraw/zinc/49/70/72/556497072.db2.gz YKHOEHYGXZLXDZ-UHFFFAOYSA-N 0 0 436.006 4.575 50 0 IJAARN O=c1c2c3c(sc2nc(SCc2ncno2)n1-c1ccc(Cl)cc1)CCCC3 ZINC000030534080 556497317 /nfs/dbraw/zinc/49/73/17/556497317.db2.gz YQDQRXSIZLQOHV-UHFFFAOYSA-N 0 0 430.942 4.655 50 0 IJAARN COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1OC ZINC000013283314 556501814 /nfs/dbraw/zinc/50/18/14/556501814.db2.gz CPMLDVPUGKFPHD-UHFFFAOYSA-N 0 0 429.520 4.649 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)C1c3ccccc3C2c2ccccc21 ZINC000013306014 556502427 /nfs/dbraw/zinc/50/24/27/556502427.db2.gz ARWSYFVGOOXPJO-JQBYJRRVSA-N 0 0 430.301 4.846 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000015106967 556504194 /nfs/dbraw/zinc/50/41/94/556504194.db2.gz RUQZCGSLUDJQIR-OAHLLOKOSA-N 0 0 425.506 4.924 50 0 IJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCO[C@@H](c2ccccc2)C1 ZINC000030764940 556505440 /nfs/dbraw/zinc/50/54/40/556505440.db2.gz NAWJPIHPJOWCJJ-JOCHJYFZSA-N 0 0 429.545 4.874 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)OCCCO2 ZINC000032716932 556506505 /nfs/dbraw/zinc/50/65/05/556506505.db2.gz LXXQCTKNAHDTEI-UHFFFAOYSA-N 0 0 439.515 4.973 50 0 IJAARN Cc1cc(=O)c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)nn1-c1ccc(Cl)cc1 ZINC000032880026 556507919 /nfs/dbraw/zinc/50/79/19/556507919.db2.gz MTTFXCQBKJYZPY-UHFFFAOYSA-N 0 0 446.309 4.792 50 0 IJAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000013478189 556507963 /nfs/dbraw/zinc/50/79/63/556507963.db2.gz XWMMDWNLNSEVAS-HNNXBMFYSA-N 0 0 446.787 4.904 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)NCc1ccncc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013523152 556512432 /nfs/dbraw/zinc/51/24/32/556512432.db2.gz GHMSSPDYOULXDR-UHFFFAOYSA-N 0 0 447.922 4.554 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)COC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000013526352 556512759 /nfs/dbraw/zinc/51/27/59/556512759.db2.gz UIAUKFUJCSXMLD-LJQANCHMSA-N 0 0 433.504 4.716 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Br)cc2)cc1OC ZINC000032895152 556514631 /nfs/dbraw/zinc/51/46/31/556514631.db2.gz RDOUIYUCGVVACT-KSSFIOAISA-N 0 0 434.330 4.597 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1OC ZINC000032895204 556514824 /nfs/dbraw/zinc/51/48/24/556514824.db2.gz JUKRWNFKCOQILB-SFHVURJKSA-N 0 0 433.464 4.786 50 0 IJAARN COc1ccc([C@@H](NC(=O)CNc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000015288428 556516187 /nfs/dbraw/zinc/51/61/87/556516187.db2.gz XUWUXYNXUVFBMH-QFIPXVFZSA-N 0 0 425.326 4.775 50 0 IJAARN CSc1nc2sc3c(c2c(SCC(=O)NCc2ccccc2)n1)CC(C)(C)OC3 ZINC000013556749 556516802 /nfs/dbraw/zinc/51/68/02/556516802.db2.gz RHQPPXNBGPYEIR-UHFFFAOYSA-N 0 0 445.635 4.673 50 0 IJAARN C[C@@H](NCc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000032891547 556519248 /nfs/dbraw/zinc/51/92/48/556519248.db2.gz WSTNJHIGSOSNMO-OAHLLOKOSA-N 0 0 433.895 4.619 50 0 IJAARN O=C(c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)N1CCC(Sc2ccccn2)CC1 ZINC000072298004 556523192 /nfs/dbraw/zinc/52/31/92/556523192.db2.gz POZPHWZLPLSAKS-UHFFFAOYSA-N 0 0 449.498 4.624 50 0 IJAARN COc1ccc(-c2nc(S[C@@H](CC(=O)NCc3ccco3)c3cccs3)n[nH]2)cc1 ZINC000015441375 556528543 /nfs/dbraw/zinc/52/85/43/556528543.db2.gz ZILHBXDQMODRKC-SFHVURJKSA-N 0 0 440.550 4.675 50 0 IJAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(Br)c(C)c1 ZINC000013593444 556531237 /nfs/dbraw/zinc/53/12/37/556531237.db2.gz KCKQHGZWIKUVBG-UHFFFAOYSA-N 0 0 444.329 4.543 50 0 IJAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c12 ZINC000013607850 556533615 /nfs/dbraw/zinc/53/36/15/556533615.db2.gz PVWMDSBVZUGTRO-UHFFFAOYSA-N 0 0 438.911 4.536 50 0 IJAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032901023 556535270 /nfs/dbraw/zinc/53/52/70/556535270.db2.gz GGZULWWAXZNRCN-HYBUGGRVSA-N 0 0 428.488 4.784 50 0 IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(C)CC4)c(C)c3cc2c1-c1ccccc1 ZINC000013623590 556536075 /nfs/dbraw/zinc/53/60/75/556536075.db2.gz GWYIHMDXMSVDNU-UHFFFAOYSA-N 0 0 444.531 4.530 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1 ZINC000032593961 556541920 /nfs/dbraw/zinc/54/19/20/556541920.db2.gz BICZXIDXZKUIQT-NRFANRHFSA-N 0 0 425.916 4.571 50 0 IJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(OC(C)C)c(OC)c1)C2 ZINC000015778865 556550910 /nfs/dbraw/zinc/55/09/10/556550910.db2.gz OROXUDREBWBHBW-UHFFFAOYSA-N 0 0 434.540 4.583 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccc(CC)cc1-2 ZINC000032997784 556551977 /nfs/dbraw/zinc/55/19/77/556551977.db2.gz CMKJEYMFJXWKEG-JOCHJYFZSA-N 0 0 435.553 4.832 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000015800247 556552676 /nfs/dbraw/zinc/55/26/76/556552676.db2.gz XDVOPDVDSGWZQX-UNOMPAQXSA-N 0 0 446.956 4.952 50 0 IJAARN COc1ccc(-c2noc(CCCCCNC(=O)C3(c4ccc(F)cc4)CCC3)n2)cc1 ZINC000032906905 556554724 /nfs/dbraw/zinc/55/47/24/556554724.db2.gz IWTJOLYJOCEFBU-UHFFFAOYSA-N 0 0 437.515 4.835 50 0 IJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1OC ZINC000015842356 556556982 /nfs/dbraw/zinc/55/69/82/556556982.db2.gz CHGVUEMTOIXNSV-UHFFFAOYSA-N 0 0 427.508 4.986 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NCc5ccccc5)C4)nccn3n2)cc1C ZINC000033266345 556557681 /nfs/dbraw/zinc/55/76/81/556557681.db2.gz ZMZLNNBRWZTOSG-HSZRJFAPSA-N 0 0 439.563 4.546 50 0 IJAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000015869074 556559749 /nfs/dbraw/zinc/55/97/49/556559749.db2.gz YLIQRFBNATWYEV-UHFFFAOYSA-N 0 0 437.750 4.563 50 0 IJAARN NC(=O)c1ccccc1Oc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000072306431 556560389 /nfs/dbraw/zinc/56/03/89/556560389.db2.gz LKCMLDLSINNZNT-UHFFFAOYSA-N 0 0 431.275 4.902 50 0 IJAARN Cc1ccc(Br)c(NS(=O)(=O)c2cccc(NC(=O)CC(C)C)c2)c1 ZINC000015898610 556562242 /nfs/dbraw/zinc/56/22/42/556562242.db2.gz FGEBJTRXFXMWSD-UHFFFAOYSA-N 0 0 425.348 4.543 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4ccccc4Br)C3)c2c1C ZINC000032960208 556564694 /nfs/dbraw/zinc/56/46/94/556564694.db2.gz YAXFLENEYBCYMH-HNNXBMFYSA-N 0 0 443.345 4.766 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)c3ccccc32)cc1 ZINC000072308374 556566193 /nfs/dbraw/zinc/56/61/93/556566193.db2.gz PMSYKUGEXXVFOM-UHFFFAOYSA-N 0 0 428.536 4.500 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1-c1ccccc1 ZINC000032960755 556570809 /nfs/dbraw/zinc/57/08/09/556570809.db2.gz QQKIQZGZYPEHCY-GOSISDBHSA-N 0 0 435.578 4.641 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCCCCC3)cc2OC)cc1 ZINC000015981353 556570850 /nfs/dbraw/zinc/57/08/50/556570850.db2.gz MTUWNCXGVCJBHY-UHFFFAOYSA-N 0 0 440.540 4.564 50 0 IJAARN COc1cc2c(cc1NC(=O)CCCN1C(=O)c3ccccc3C1=O)oc1ccccc12 ZINC000002849847 556572748 /nfs/dbraw/zinc/57/27/48/556572748.db2.gz NQRCSPDVWMRCFO-UHFFFAOYSA-N 0 0 428.444 4.610 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)COc1ccc(C)c(C)c1)CC2 ZINC000016002576 556573053 /nfs/dbraw/zinc/57/30/53/556573053.db2.gz WDHMTISFEINTGD-RUZDIDTESA-N 0 0 437.561 4.935 50 0 IJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1cc2c(cc1Br)OCCO2 ZINC000016008721 556573253 /nfs/dbraw/zinc/57/32/53/556573253.db2.gz OKDURYKLVSZMRG-UHFFFAOYSA-N 0 0 431.311 4.525 50 0 IJAARN Cc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)no1 ZINC000002261980 556574755 /nfs/dbraw/zinc/57/47/55/556574755.db2.gz RKURDFRODCNZDK-GXTWGEPZSA-N 0 0 425.798 4.746 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000034812932 556582902 /nfs/dbraw/zinc/58/29/02/556582902.db2.gz JIVFYCZEUPFRPF-KRWDZBQOSA-N 0 0 445.494 4.865 50 0 IJAARN CCCC(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034905594 556586308 /nfs/dbraw/zinc/58/63/08/556586308.db2.gz SVXVBPXJAYYEMO-UHFFFAOYSA-N 0 0 443.613 4.803 50 0 IJAARN COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000016246781 556594046 /nfs/dbraw/zinc/59/40/46/556594046.db2.gz VKSVJQOJUSUALE-UHFFFAOYSA-N 0 0 437.543 4.868 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN(C)c2ccccc2)[C@H](c2ccccc2OC)C1 ZINC000036345383 556597025 /nfs/dbraw/zinc/59/70/25/556597025.db2.gz ALVUNDLGIQUDLV-QHCPKHFHSA-N 0 0 429.520 4.518 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(C)cc2)cc1OC ZINC000036372974 556597585 /nfs/dbraw/zinc/59/75/85/556597585.db2.gz FYZNTHQMTMCFGA-LVXARBLLSA-N 0 0 428.488 4.765 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000032977864 556600656 /nfs/dbraw/zinc/60/06/56/556600656.db2.gz GQQVWANFCWESIP-RUZDIDTESA-N 0 0 426.988 4.892 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)NC4CCCCC4)[C@@H](C)C3)ncn2)c1 ZINC000037357211 556602094 /nfs/dbraw/zinc/60/20/94/556602094.db2.gz AADFDSXTZFPHPN-KRWDZBQOSA-N 0 0 443.979 4.784 50 0 IJAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000016392061 556604581 /nfs/dbraw/zinc/60/45/81/556604581.db2.gz XNZPQWVVQPUEFK-UHFFFAOYSA-N 0 0 440.455 4.962 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccc(OC)cc3)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623878 556605243 /nfs/dbraw/zinc/60/52/43/556605243.db2.gz JLHAXLRLCXQUSO-CVDCTZTESA-N 0 0 446.551 4.508 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc4c5c([nH]c43)CC[C@H](C)C5)CC2)c(F)c1 ZINC000032914270 556607472 /nfs/dbraw/zinc/60/74/72/556607472.db2.gz GOPHCJGZEFBDGB-INIZCTEOSA-N 0 0 433.527 4.597 50 0 IJAARN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCc1ccc(Cl)cc1 ZINC000032995176 556610311 /nfs/dbraw/zinc/61/03/11/556610311.db2.gz HXDKFNMCUZEVAW-UHFFFAOYSA-N 0 0 449.363 4.736 50 0 IJAARN Fc1cc(CCNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2c(c1)COCO2 ZINC000032916253 556614640 /nfs/dbraw/zinc/61/46/40/556614640.db2.gz BGBIRFFPDFGKME-UHFFFAOYSA-N 0 0 448.523 4.902 50 0 IJAARN COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCc1ccccc1 ZINC000033655011 556618674 /nfs/dbraw/zinc/61/86/74/556618674.db2.gz DTYJNHKSPMXGNV-BKUYFWCQSA-N 0 0 432.451 4.506 50 0 IJAARN O=C(NCc1ccccc1)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998881 556626780 /nfs/dbraw/zinc/62/67/80/556626780.db2.gz UMPAUNMYHFLWIJ-UHFFFAOYSA-N 0 0 447.947 4.967 50 0 IJAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000039383641 556628350 /nfs/dbraw/zinc/62/83/50/556628350.db2.gz ZZAGVZUWDCNQKG-UHFFFAOYSA-N 0 0 431.327 4.576 50 0 IJAARN COc1ccc(C[C@H](N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694979 556628554 /nfs/dbraw/zinc/62/85/54/556628554.db2.gz OIVBKIFJXRMZRF-XDHUDOTRSA-N 0 0 429.520 4.575 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000016729045 556631074 /nfs/dbraw/zinc/63/10/74/556631074.db2.gz RFBULCSXPROYGC-XATQLNLPSA-N 0 0 432.973 4.945 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@@H](C)SC2=N1 ZINC000016733890 556632424 /nfs/dbraw/zinc/63/24/24/556632424.db2.gz IFFCNASMZGPEQY-BDJLRTHQSA-N 0 0 427.353 4.841 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C/c4ccccc4OCCCC)c(=O)n3n2)cc1 ZINC000016734565 556632748 /nfs/dbraw/zinc/63/27/48/556632748.db2.gz SVMFNJGMMUVOID-OQKWZONESA-N 0 0 449.576 4.724 50 0 IJAARN CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)cc1 ZINC000016750170 556637090 /nfs/dbraw/zinc/63/70/90/556637090.db2.gz BKBWFBNQCNJYMI-QHCPKHFHSA-N 0 0 435.520 4.944 50 0 IJAARN COCc1nn2c(nnc3c2ccn(C2CCCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396139 556638637 /nfs/dbraw/zinc/63/86/37/556638637.db2.gz DJWCBKJBUCINDD-UHFFFAOYSA-N 0 0 437.931 4.801 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(F)cc2)cc3=O)c(C)c1 ZINC000040484859 556643799 /nfs/dbraw/zinc/64/37/99/556643799.db2.gz VCPVSJWHAYESSJ-UHFFFAOYSA-N 0 0 440.478 4.711 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cs2)cc1OC ZINC000011719039 556644457 /nfs/dbraw/zinc/64/44/57/556644457.db2.gz OJAUTHVVUKORNX-UHFFFAOYSA-N 0 0 425.510 4.674 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000037557257 556645288 /nfs/dbraw/zinc/64/52/88/556645288.db2.gz PNZFDEYJTCDJNI-SANMLTNESA-N 0 0 442.559 4.680 50 0 IJAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccc(F)cc2)n(C)c3=O)cc1 ZINC000016846125 556647094 /nfs/dbraw/zinc/64/70/94/556647094.db2.gz ULAJFFFWZOAOIO-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc23)cc1 ZINC000016944385 556649685 /nfs/dbraw/zinc/64/96/85/556649685.db2.gz OBCBVWVWOVZSQF-UHFFFAOYSA-N 0 0 448.548 4.608 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000016956710 556650332 /nfs/dbraw/zinc/65/03/32/556650332.db2.gz HGCYLEFSKWRDEE-UHFFFAOYSA-N 0 0 433.533 4.914 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)NCC(C)(c3ccccc3)c3ccccc3)ccc12 ZINC000016966893 556651420 /nfs/dbraw/zinc/65/14/20/556651420.db2.gz ZCOHWDSSQRZCHQ-UHFFFAOYSA-N 0 0 427.500 4.603 50 0 IJAARN COc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3C3CC3)cs2)cc1OC ZINC000011780578 556655250 /nfs/dbraw/zinc/65/52/50/556655250.db2.gz FWNDENFYEHNJNX-UHFFFAOYSA-N 0 0 443.598 4.646 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccccc3C)ncn2)C[C@H]1C)c1ccccc1 ZINC000248016011 556655809 /nfs/dbraw/zinc/65/58/09/556655809.db2.gz LAVLKUZJVZNZGJ-IRLDBZIGSA-N 0 0 430.552 4.808 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000033012982 556662375 /nfs/dbraw/zinc/66/23/75/556662375.db2.gz MEYFRSKZZWLLFR-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033013139 556662581 /nfs/dbraw/zinc/66/25/81/556662581.db2.gz ZEHMUFQRGYHXJO-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN CCOC(=O)c1c2cc(OC(=O)CNC(=O)OC(C)(C)C)ccc2oc1-c1ccccc1 ZINC000011865507 556665228 /nfs/dbraw/zinc/66/52/28/556665228.db2.gz XYVWFLZOEABNBH-UHFFFAOYSA-N 0 0 439.464 4.707 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(OC3CCCC3)cc2)n1C)c1ccccc1 ZINC000017100676 556665669 /nfs/dbraw/zinc/66/56/69/556665669.db2.gz HZKTZBBFMAXFHC-QGZVFWFLSA-N 0 0 436.581 4.773 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)s2)cc1OC ZINC000011866030 556665731 /nfs/dbraw/zinc/66/57/31/556665731.db2.gz RUJIUPPNSBPDJO-CQSZACIVSA-N 0 0 435.549 4.978 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc(Br)cs1 ZINC000017101210 556665891 /nfs/dbraw/zinc/66/58/91/556665891.db2.gz XSHHDXHTHWYYRM-UHFFFAOYSA-N 0 0 437.388 4.828 50 0 IJAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017101384 556666129 /nfs/dbraw/zinc/66/61/29/556666129.db2.gz ISKXHKDXRCKRJA-HDLCADABSA-N 0 0 437.495 4.685 50 0 IJAARN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000017101382 556666132 /nfs/dbraw/zinc/66/61/32/556666132.db2.gz ISKXHKDXRCKRJA-CVQXOBEKSA-N 0 0 437.495 4.685 50 0 IJAARN O=c1nc(N2CC[NH+](C3CCCCC3)CC2)[n-]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169350 556666401 /nfs/dbraw/zinc/66/64/01/556666401.db2.gz DSJJOXHZKBQJCF-UHFFFAOYSA-N 0 0 428.989 4.760 50 0 IJAARN NC(=O)CSc1nnc(CSCc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000017103233 556667582 /nfs/dbraw/zinc/66/75/82/556667582.db2.gz NKWXSWDMJOUQCJ-UHFFFAOYSA-N 0 0 439.393 4.585 50 0 IJAARN CSc1ccc(Cl)c(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000032930184 556670294 /nfs/dbraw/zinc/67/02/94/556670294.db2.gz ZJYGBNZQVXJULF-UHFFFAOYSA-N 0 0 429.895 4.875 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000017195076 556672610 /nfs/dbraw/zinc/67/26/10/556672610.db2.gz GKLITLDOZOJUFD-UHFFFAOYSA-N 0 0 438.534 4.523 50 0 IJAARN COc1ccc([C@@H](CSc2nnc(-c3ccccn3)n2-c2ccccc2)OC(C)=O)cc1 ZINC000032934938 556677728 /nfs/dbraw/zinc/67/77/28/556677728.db2.gz KFHFGBAULKPCTJ-JOCHJYFZSA-N 0 0 446.532 4.734 50 0 IJAARN Cc1nc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)sc1C ZINC000033019539 556682595 /nfs/dbraw/zinc/68/25/95/556682595.db2.gz XRDLOHFTZFRJDM-UHFFFAOYSA-N 0 0 437.594 4.791 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000018247397 556688112 /nfs/dbraw/zinc/68/81/12/556688112.db2.gz BERXNMPMOXOUNS-DLBZAZTESA-N 0 0 440.293 4.514 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1 ZINC000046006007 556690057 /nfs/dbraw/zinc/69/00/57/556690057.db2.gz WRFYCRSQFGTWDS-UHFFFAOYSA-N 0 0 428.536 4.685 50 0 IJAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000001085745 556690110 /nfs/dbraw/zinc/69/01/10/556690110.db2.gz PNGJPVDGZNPZHY-MRXNPFEDSA-N 0 0 448.791 4.547 50 0 in-vitro IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136625119 556690534 /nfs/dbraw/zinc/69/05/34/556690534.db2.gz AYRFJQUKJWQLHI-PWRODBHTSA-N 0 0 449.304 4.500 50 0 IJAARN Cc1cc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)ccc1Br ZINC000046141168 556692461 /nfs/dbraw/zinc/69/24/61/556692461.db2.gz RKASWILLCCPSAJ-OAHLLOKOSA-N 0 0 442.313 4.780 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)o1 ZINC000046141467 556692992 /nfs/dbraw/zinc/69/29/92/556692992.db2.gz LFVLTWORYQADBZ-UHFFFAOYSA-N 0 0 449.941 4.807 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CNC(=S)N(Cc1cccs1)C1CCCC1 ZINC000013544549 556696430 /nfs/dbraw/zinc/69/64/30/556696430.db2.gz HNPZEDVZJWYLKG-SFHVURJKSA-N 0 0 429.655 4.505 50 0 IJAARN CN(C)c1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)c1 ZINC000033025657 556701136 /nfs/dbraw/zinc/70/11/36/556701136.db2.gz LFXUUUXXTLFSJK-UHFFFAOYSA-N 0 0 447.539 4.870 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033026052 556702175 /nfs/dbraw/zinc/70/21/75/556702175.db2.gz BJGPGSDVWOPXFZ-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc21 ZINC000072314572 556702603 /nfs/dbraw/zinc/70/26/03/556702603.db2.gz LCGMHSUTYDBZBT-DEOSSOPVSA-N 0 0 437.572 4.898 50 0 IJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000033037095 556721376 /nfs/dbraw/zinc/72/13/76/556721376.db2.gz ACKYBNDIBOIKPU-UHFFFAOYSA-N 0 0 430.533 4.798 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)(F)F)cc1 ZINC000000848679 556721658 /nfs/dbraw/zinc/72/16/58/556721658.db2.gz YJNWOLNTSOSSBZ-UHFFFAOYSA-N 0 0 440.425 4.662 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCCCc4ccccc4)ccc3[nH]2)cc1 ZINC000033037456 556722906 /nfs/dbraw/zinc/72/29/06/556722906.db2.gz JZTZFPYOMRUWCF-UHFFFAOYSA-N 0 0 440.547 4.669 50 0 IJAARN Cc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1C ZINC000005187288 556722964 /nfs/dbraw/zinc/72/29/64/556722964.db2.gz GAXRGBONJODEPJ-XMMPIXPASA-N 0 0 427.548 4.821 50 0 IJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(Br)c3)c2c1 ZINC000072331967 556731261 /nfs/dbraw/zinc/73/12/61/556731261.db2.gz BWFVKNXDJDXYPQ-UHFFFAOYSA-N 0 0 427.327 4.913 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)s1 ZINC000055042213 556732362 /nfs/dbraw/zinc/73/23/62/556732362.db2.gz ZIFUKWDVORZEFQ-IBGZPJMESA-N 0 0 437.531 4.502 50 0 IJAARN NS(=O)(=O)c1ccc(Sc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000078964278 556737171 /nfs/dbraw/zinc/73/71/71/556737171.db2.gz DHYMWAGDOLHUEZ-UHFFFAOYSA-N 0 0 436.917 4.530 50 0 IJAARN O[C@H](c1ccc2c(c1)CN(Cc1cc[nH]n1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000055283269 556739660 /nfs/dbraw/zinc/73/96/60/556739660.db2.gz ZYHVSLAQMFMXSW-HHHXNRCGSA-N 0 0 425.532 4.670 50 0 IJAARN COc1ccc(-c2ncc(CN3CCC[C@H](C(=O)c4ccccc4SC)C3)cn2)cc1 ZINC000055575715 556742435 /nfs/dbraw/zinc/74/24/35/556742435.db2.gz UMKHZTAEXBNGLV-FQEVSTJZSA-N 0 0 433.577 4.969 50 0 IJAARN O=C(CCn1cncn1)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000058003714 556752197 /nfs/dbraw/zinc/75/21/97/556752197.db2.gz XSANNKRXINNFFS-HSZRJFAPSA-N 0 0 435.531 4.765 50 0 IJAARN O=S(=O)(Cc1nc(-c2ccccc2Cl)no1)c1ncc(-c2ccccc2)n1C1CC1 ZINC000058102682 556758220 /nfs/dbraw/zinc/75/82/20/556758220.db2.gz JBFGDGLKNCQDNK-UHFFFAOYSA-N 0 0 440.912 4.562 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1 ZINC000058111925 556759085 /nfs/dbraw/zinc/75/90/85/556759085.db2.gz BEMQKIWAPYYCQR-MHZLTWQESA-N 0 0 435.527 4.860 50 0 IJAARN Cn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005319628 556763085 /nfs/dbraw/zinc/76/30/85/556763085.db2.gz OMIMZZYTNCPBBU-UHFFFAOYSA-N 0 0 427.574 4.796 50 0 IJAARN O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000058157849 556763217 /nfs/dbraw/zinc/76/32/17/556763217.db2.gz PZQCZZHLVAWCNN-XMMPIXPASA-N 0 0 433.939 4.550 50 0 IJAARN CC1(C)CCc2c(cc(OCC(=O)N3CCCC3)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000062001310 556764120 /nfs/dbraw/zinc/76/41/20/556764120.db2.gz PVJBBVHTHDUYPM-UHFFFAOYSA-N 0 0 433.504 4.565 50 0 biogenic IJAARN COC(=O)c1c(NC(=O)CN(C)Cc2c(F)cccc2Cl)sc2c1CC[C@H](C)C2 ZINC000058160385 556764373 /nfs/dbraw/zinc/76/43/73/556764373.db2.gz NBROJDLVNFFCAI-LBPRGKRZSA-N 0 0 438.952 4.523 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccc3cc[nH]c3c1)C(=O)OC2 ZINC000062001548 556764433 /nfs/dbraw/zinc/76/44/33/556764433.db2.gz PXZRTVWTFKOITA-LNKIKWGQSA-N 0 0 434.492 4.769 50 0 biogenic IJAARN O=C1CC2(CCN(c3nc(-c4cccs4)nc4scc(-c5ccccc5)c43)CC2)N1 ZINC000058172843 556768599 /nfs/dbraw/zinc/76/85/99/556768599.db2.gz YBETZRDRSBIVNJ-UHFFFAOYSA-N 0 0 432.574 4.946 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@H](C)COCC(F)(F)F ZINC000058175588 556769452 /nfs/dbraw/zinc/76/94/52/556769452.db2.gz VRVFTSGUZIWQPL-LLVKDONJSA-N 0 0 431.252 4.517 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000058218454 556773223 /nfs/dbraw/zinc/77/32/23/556773223.db2.gz OXFFWMLPNFLTPL-HSZRJFAPSA-N 0 0 429.568 4.858 50 0 IJAARN Cc1ccccc1-n1ncc(C(=O)NCCCCOc2ccc(F)cc2)c1C(F)(F)F ZINC000058218758 556773266 /nfs/dbraw/zinc/77/32/66/556773266.db2.gz BRJFSQPUMRXHNA-UHFFFAOYSA-N 0 0 435.421 4.928 50 0 IJAARN CC(=O)Nc1ccc(Br)cc1NC(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000058277708 556776967 /nfs/dbraw/zinc/77/69/67/556776967.db2.gz ODHSPXSNBKHNLN-UHFFFAOYSA-N 0 0 445.235 4.739 50 0 IJAARN O=C(Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1)c1cccs1 ZINC000058289447 556777473 /nfs/dbraw/zinc/77/74/73/556777473.db2.gz PSDUUTWXTHBRGQ-FQEVSTJZSA-N 0 0 436.537 4.609 50 0 IJAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000058370880 556783803 /nfs/dbraw/zinc/78/38/03/556783803.db2.gz YYFYUSYEAYKOCC-UHFFFAOYSA-N 0 0 427.233 4.904 50 0 IJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000058618328 556790587 /nfs/dbraw/zinc/79/05/87/556790587.db2.gz NWGSNKOFLJWOCP-IBGZPJMESA-N 0 0 446.494 4.767 50 0 IJAARN O=C(NCCCN1CCCCCC1=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000058637260 556791079 /nfs/dbraw/zinc/79/10/79/556791079.db2.gz DJAZLSVEHRFRLI-UHFFFAOYSA-N 0 0 435.499 4.670 50 0 IJAARN CCOc1ccc([C@@H](NC(=O)CCCNC(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000058775213 556791999 /nfs/dbraw/zinc/79/19/99/556791999.db2.gz AWQOVFDKNVNFAR-VWLOTQADSA-N 0 0 437.584 4.703 50 0 IJAARN NC(=O)C1CCN(C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 ZINC000043698919 556794041 /nfs/dbraw/zinc/79/40/41/556794041.db2.gz MWQLNNPFRHHXBK-QJOMJCCJSA-N 0 0 446.572 4.592 50 0 IJAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 ZINC000002619345 556800181 /nfs/dbraw/zinc/80/01/81/556800181.db2.gz RQTYJAFEAWTCMG-PXNSSMCTSA-N 0 0 433.581 4.773 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000072401472 556800612 /nfs/dbraw/zinc/80/06/12/556800612.db2.gz SOGYFCVOEIRUBO-RDPSFJRHSA-N 0 0 443.547 4.838 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)COc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000002643336 556801904 /nfs/dbraw/zinc/80/19/04/556801904.db2.gz DNQVSGRLUYSAQZ-UHFFFAOYSA-N 0 0 439.537 4.545 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000002664617 556803139 /nfs/dbraw/zinc/80/31/39/556803139.db2.gz NMVPEVPQCASLFX-UHFFFAOYSA-N 0 0 446.960 4.715 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3)n2)cc1 ZINC000059737040 556803688 /nfs/dbraw/zinc/80/36/88/556803688.db2.gz CENACGQMPJVCLZ-UHFFFAOYSA-N 0 0 437.912 4.860 50 0 IJAARN O=c1cc(CSc2nc3ccccc3c(Nc3ccc(F)c(F)c3)n2)nc2ccccn12 ZINC000002949024 556803708 /nfs/dbraw/zinc/80/37/08/556803708.db2.gz SWXVNJORNWTDJB-UHFFFAOYSA-N 0 0 447.470 4.952 50 0 IJAARN Cc1csc(N(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c2ccccc2)n1 ZINC000059936087 556805424 /nfs/dbraw/zinc/80/54/24/556805424.db2.gz RSWODUGBIFJPTM-UHFFFAOYSA-N 0 0 431.521 4.655 50 0 IJAARN CC(C)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000003292303 556806862 /nfs/dbraw/zinc/80/68/62/556806862.db2.gz BSRCVYAZQXKNMF-UHFFFAOYSA-N 0 0 446.503 4.514 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000003322396 556810227 /nfs/dbraw/zinc/81/02/27/556810227.db2.gz PKAQOLRGIZQBBI-UHFFFAOYSA-N 0 0 432.505 4.799 50 0 IJAARN C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003356093 556811559 /nfs/dbraw/zinc/81/15/59/556811559.db2.gz OEXOMBUBKICSQQ-LJJSCBMDSA-N 0 0 431.222 4.573 50 0 IJAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(F)F ZINC000003429534 556815180 /nfs/dbraw/zinc/81/51/80/556815180.db2.gz XUECACIPDGUCMI-XVNBXDOJSA-N 0 0 446.233 4.799 50 0 IJAARN C[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2F)[C@@H]1C ZINC000005493647 556818622 /nfs/dbraw/zinc/81/86/22/556818622.db2.gz WMYQUEQAOJCJMM-LPMFXHHGSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 ZINC000033067777 556819808 /nfs/dbraw/zinc/81/98/08/556819808.db2.gz CQOWESQAGDOLNB-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1F ZINC000033067947 556820293 /nfs/dbraw/zinc/82/02/93/556820293.db2.gz WFGGFSXNCQCMIA-UHFFFAOYSA-N 0 0 446.482 4.982 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000033068094 556820626 /nfs/dbraw/zinc/82/06/26/556820626.db2.gz FCXUTTIIOGNZOQ-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)c1C ZINC000005558473 556824923 /nfs/dbraw/zinc/82/49/23/556824923.db2.gz FBXIAEHUHYWCLS-UHFFFAOYSA-N 0 0 428.598 4.577 50 0 IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064661858 556825721 /nfs/dbraw/zinc/82/57/21/556825721.db2.gz RCZTUIPQLHFTAR-RUZDIDTESA-N 0 0 447.535 4.573 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064661891 556825798 /nfs/dbraw/zinc/82/57/98/556825798.db2.gz JCMLRCSEZIHQGL-RUZDIDTESA-N 0 0 447.535 4.886 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)c1nnn(Cc2ccccc2F)c1-c1ccncc1 ZINC000206643351 556825806 /nfs/dbraw/zinc/82/58/06/556825806.db2.gz LRPNSTWZJYWEFJ-UHFFFAOYSA-N 0 0 441.388 4.799 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064661964 556825957 /nfs/dbraw/zinc/82/59/57/556825957.db2.gz KGDGUZKROYVEQC-SANMLTNESA-N 0 0 443.572 4.742 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1Cl ZINC000064662028 556825988 /nfs/dbraw/zinc/82/59/88/556825988.db2.gz ZLFNMMKGWZRINI-HSZRJFAPSA-N 0 0 441.984 4.830 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000064800267 556827304 /nfs/dbraw/zinc/82/73/04/556827304.db2.gz XNOYBMLMFFAZLZ-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN O=C(NCc1ccccc1)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002204 556830531 /nfs/dbraw/zinc/83/05/31/556830531.db2.gz PMQHVWNXDJOZIV-UHFFFAOYSA-N 0 0 440.522 4.631 50 0 IJAARN CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000019633072 556833409 /nfs/dbraw/zinc/83/34/09/556833409.db2.gz TWUMTSWYBJCVKU-UXHICEINSA-N 0 0 441.000 4.939 50 0 IJAARN CCOC(=O)c1sc2nc(-c3cc(OC)c(O)c(OC)c3)c(NC3CCCC3)n2c1C ZINC000065318772 556833572 /nfs/dbraw/zinc/83/35/72/556833572.db2.gz PQTYTPIUWJAROU-UHFFFAOYSA-N 0 0 445.541 4.625 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000019637495 556836026 /nfs/dbraw/zinc/83/60/26/556836026.db2.gz ZZEDFTWYWZWQTM-UHFFFAOYSA-N 0 0 442.950 4.908 50 0 IJAARN Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)C[C@H](C)CC4)cc1 ZINC000019643997 556838994 /nfs/dbraw/zinc/83/89/94/556838994.db2.gz XMTVHTAWQKHBAS-CYBMUJFWSA-N 0 0 445.635 4.557 50 0 IJAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4cc5c(s4)CCCCC5)c(=O)c23)C1 ZINC000019643993 556839046 /nfs/dbraw/zinc/83/90/46/556839046.db2.gz ADMXNVRNWAWYFR-LLVKDONJSA-N 0 0 445.635 4.960 50 0 IJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000019683144 556841678 /nfs/dbraw/zinc/84/16/78/556841678.db2.gz ROOVJNIBQBDWFK-UHFFFAOYSA-N 0 0 441.325 4.794 50 0 aggregator IJAARN COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)N2CCCC2)cc1 ZINC000008745752 556845299 /nfs/dbraw/zinc/84/52/99/556845299.db2.gz UMLNSEPBGBOSMB-NRFANRHFSA-N 0 0 440.613 4.638 50 0 IJAARN COc1ccc(OC)c(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c1 ZINC000008825598 556849306 /nfs/dbraw/zinc/84/93/06/556849306.db2.gz MHGZROJEDPHHHM-KPKJPENVSA-N 0 0 441.915 4.858 50 0 IJAARN O=C(COc1ccc(Cl)cc1Br)Nc1nnc(Cc2ccccc2)s1 ZINC000008855979 556850423 /nfs/dbraw/zinc/85/04/23/556850423.db2.gz USMJYQWLTKGISV-UHFFFAOYSA-N 0 0 438.734 4.562 50 0 IJAARN Cc1ccc2snc(C(=O)N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1 ZINC000033070661 556851016 /nfs/dbraw/zinc/85/10/16/556851016.db2.gz UTUCNIYHASHKLA-UHFFFAOYSA-N 0 0 428.945 4.556 50 0 IJAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)NCCc1ccc(Cl)cc1 ZINC000033072504 556852303 /nfs/dbraw/zinc/85/23/03/556852303.db2.gz HTIUIWMSOFVTDM-UHFFFAOYSA-N 0 0 432.955 4.815 50 0 IJAARN CCc1cccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c1 ZINC000033073970 556853001 /nfs/dbraw/zinc/85/30/01/556853001.db2.gz LCYAPCJWCOROEN-UHFFFAOYSA-N 0 0 446.526 4.891 50 0 IJAARN COc1cc(Cl)c(NC(=O)c2sc3ncnc(N4CCCC4)c3c2C)c(OC)c1 ZINC000033078844 556854000 /nfs/dbraw/zinc/85/40/00/556854000.db2.gz DXDFDPQJUIUIHD-UHFFFAOYSA-N 0 0 432.933 4.523 50 0 IJAARN CCOc1ccccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088602 556857979 /nfs/dbraw/zinc/85/79/79/556857979.db2.gz LTASJOLUAFMNDV-UHFFFAOYSA-N 0 0 433.415 4.523 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106191 556858512 /nfs/dbraw/zinc/85/85/12/556858512.db2.gz SORMEVLOWHCZTD-UHFFFAOYSA-N 0 0 443.320 4.629 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c(C)c1 ZINC000033113518 556860438 /nfs/dbraw/zinc/86/04/38/556860438.db2.gz QKXDVBDZDSTTOT-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1cc(Sc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n2ncnc2n1 ZINC000033121814 556862672 /nfs/dbraw/zinc/86/26/72/556862672.db2.gz QHAMBJGJRNQKFD-UHFFFAOYSA-N 0 0 440.326 4.599 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2=O)cc1C ZINC000033128121 556865023 /nfs/dbraw/zinc/86/50/23/556865023.db2.gz IZSJNLSBHLRWDX-AWEZNQCLSA-N 0 0 431.920 4.761 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128742 556865788 /nfs/dbraw/zinc/86/57/88/556865788.db2.gz GQNLTVXONIPTQE-UHFFFAOYSA-N 0 0 449.894 4.974 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1C ZINC000033126722 556867328 /nfs/dbraw/zinc/86/73/28/556867328.db2.gz DSIFDYUJJFPFQT-QGZVFWFLSA-N 0 0 432.495 4.603 50 0 IJAARN Cc1ccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000033130042 556868279 /nfs/dbraw/zinc/86/82/79/556868279.db2.gz NKOFFXHRMDBYKO-UHFFFAOYSA-N 0 0 448.588 4.767 50 0 IJAARN Brc1cc(Br)c2c(c1)C=C1CCCC[C@@]1(N1CCOCC1)O2 ZINC000019708492 556869314 /nfs/dbraw/zinc/86/93/14/556869314.db2.gz WQZAYICHHZIOBZ-QGZVFWFLSA-N 0 0 429.152 4.590 50 0 IJAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(OCCO)c1 ZINC000019720334 556876012 /nfs/dbraw/zinc/87/60/12/556876012.db2.gz SCONMCJAVGMQLX-HHHXNRCGSA-N 0 0 428.532 4.695 50 0 IJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(OC)cc1OC ZINC000015953730 556880415 /nfs/dbraw/zinc/88/04/15/556880415.db2.gz PRLICLKVJOQTML-LJGDZFJRSA-N 0 0 439.552 4.611 50 0 biogenic IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168668 556880819 /nfs/dbraw/zinc/88/08/19/556880819.db2.gz WQVOJFKRVQKIRU-GOSISDBHSA-N 0 0 434.565 4.800 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3cc(Cl)ccc3C)c2cc1OC ZINC000033172760 556883075 /nfs/dbraw/zinc/88/30/75/556883075.db2.gz SVLGEPBWENQVMV-UHFFFAOYSA-N 0 0 442.928 4.821 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(SC)c3)c2cc1OC ZINC000033172774 556883089 /nfs/dbraw/zinc/88/30/89/556883089.db2.gz WSBOGRBOKUDKMP-UHFFFAOYSA-N 0 0 440.550 4.581 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000033173627 556883596 /nfs/dbraw/zinc/88/35/96/556883596.db2.gz NCKXNYGDFRDBOZ-UHFFFAOYSA-N 0 0 438.427 4.926 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000033170611 556886197 /nfs/dbraw/zinc/88/61/97/556886197.db2.gz MBOZLSQNHGSDDW-KHPPLWFESA-N 0 0 425.510 4.529 50 0 IJAARN C[N@H+](CC[C@H](Oc1ccc(C(=O)c2nccs2)cc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000071773468 556888087 /nfs/dbraw/zinc/88/80/87/556888087.db2.gz PFYHOXGTFSSYBE-IBGZPJMESA-N 0 0 444.940 4.554 50 0 in-vitro IJAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249369 556889171 /nfs/dbraw/zinc/88/91/71/556889171.db2.gz JSLFFPYRNUOAPI-UHFFFAOYSA-N 0 0 428.941 4.519 50 0 IJAARN COc1cc(NC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc(OC)c1 ZINC000033252157 556892733 /nfs/dbraw/zinc/89/27/33/556892733.db2.gz JYSZMJNDVVEEQA-UHFFFAOYSA-N 0 0 444.535 4.660 50 0 IJAARN Cc1cccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)c1 ZINC000033252289 556892997 /nfs/dbraw/zinc/89/29/97/556892997.db2.gz PIWOFPYRIHESEL-QGZVFWFLSA-N 0 0 437.609 4.693 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(OC)c1 ZINC000033257061 556895439 /nfs/dbraw/zinc/89/54/39/556895439.db2.gz BIPDRXMPCVLHEI-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c(Cl)c1 ZINC000033258223 556896005 /nfs/dbraw/zinc/89/60/05/556896005.db2.gz UNBBXWXFDFZVOI-UHFFFAOYSA-N 0 0 437.931 4.930 50 0 IJAARN CCOc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1 ZINC000033258333 556896010 /nfs/dbraw/zinc/89/60/10/556896010.db2.gz NXCVHRPTDQGHMT-UHFFFAOYSA-N 0 0 435.528 4.613 50 0 IJAARN CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000010663185 556904489 /nfs/dbraw/zinc/90/44/89/556904489.db2.gz GBSFINLBEBMMFL-UHFFFAOYSA-N 0 0 439.870 4.526 50 0 IJAARN Cc1cc(S(=O)(=O)N(CCc2cccs2)C2CCOCC2)c(Cl)cc1Cl ZINC000206677533 556913006 /nfs/dbraw/zinc/91/30/06/556913006.db2.gz ZGFVMDJOQGNEDK-UHFFFAOYSA-N 0 0 434.410 4.776 50 0 IJAARN CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@@H](CC)c1cccs1 ZINC000019795216 556916300 /nfs/dbraw/zinc/91/63/00/556916300.db2.gz PQDIZYBNECSZGZ-HNNXBMFYSA-N 0 0 426.567 4.961 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000019824092 556925358 /nfs/dbraw/zinc/92/53/58/556925358.db2.gz ZEBOOELIOTTZLE-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)COc4ccccc4)CC3)ccc21 ZINC000019840631 556929435 /nfs/dbraw/zinc/92/94/35/556929435.db2.gz MLMYQKCXZDBEAV-UHFFFAOYSA-N 0 0 427.548 4.538 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 ZINC000019860721 556932744 /nfs/dbraw/zinc/93/27/44/556932744.db2.gz YIILBSGKTSFJLJ-LJQANCHMSA-N 0 0 434.989 4.644 50 0 IJAARN C[C@H]1CN(Cc2ccc(C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2)C[C@H](C)O1 ZINC000019881236 556936953 /nfs/dbraw/zinc/93/69/53/556936953.db2.gz FMODCWMNFKOSDH-IRXDYDNUSA-N 0 0 439.556 4.735 50 0 IJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)COc4ccc(C)cc4)CC3)ccc21 ZINC000019889364 556938713 /nfs/dbraw/zinc/93/87/13/556938713.db2.gz YBULOUNZPATGTC-UHFFFAOYSA-N 0 0 441.575 4.846 50 0 IJAARN Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000019913637 556943603 /nfs/dbraw/zinc/94/36/03/556943603.db2.gz UKICBSNMAIAMKQ-OAQYLSRUSA-N 0 0 446.982 4.673 50 0 IJAARN Cc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000019942831 556953896 /nfs/dbraw/zinc/95/38/96/556953896.db2.gz NRTFTNSQHZIWQI-UHFFFAOYSA-N 0 0 440.996 4.744 50 0 IJAARN COc1ccc(OC)c(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)c1 ZINC000019962574 556955898 /nfs/dbraw/zinc/95/58/98/556955898.db2.gz GTIYKSRYFZPVRX-UHFFFAOYSA-N 0 0 446.894 4.679 50 0 IJAARN CCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000072453221 556973699 /nfs/dbraw/zinc/97/36/99/556973699.db2.gz FSIJMGSGQIQLEP-KRWDZBQOSA-N 0 0 428.414 4.653 50 0 IJAARN CC(C)[S@@](=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F ZINC000072482091 556973724 /nfs/dbraw/zinc/97/37/24/556973724.db2.gz USQPXRQLUWVIAC-HKBQPEDESA-N 0 0 440.475 4.618 50 0 IJAARN CC[C@H](NC(=O)c1cccc([C@H]2CCCN(C(=O)NC(C)C)C2)c1)c1ccc(OC)cc1 ZINC000033264380 556973972 /nfs/dbraw/zinc/97/39/72/556973972.db2.gz VDHBGKTVFSZSSK-UPVQGACJSA-N 0 0 437.584 4.874 50 0 IJAARN CC[C@H](NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1)c1ccc(OC)cc1 ZINC000033264378 556974028 /nfs/dbraw/zinc/97/40/28/556974028.db2.gz VDHBGKTVFSZSSK-VWNXMTODSA-N 0 0 437.584 4.874 50 0 IJAARN COC(=O)C[C@H](N[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1)c1ccc(C)cc1C ZINC000020058060 556975246 /nfs/dbraw/zinc/97/52/46/556975246.db2.gz ULHXJLRJVKEGRM-AHWVRZQESA-N 0 0 446.522 4.991 50 0 IJAARN C[C@H](NC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1)c1ccccc1 ZINC000033266546 556977221 /nfs/dbraw/zinc/97/72/21/556977221.db2.gz HLNADMCNIYDCHY-KRWDZBQOSA-N 0 0 431.565 4.552 50 0 IJAARN N=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000020064446 556978205 /nfs/dbraw/zinc/97/82/05/556978205.db2.gz KZAVXUAAYVFCBN-SFHVURJKSA-N 0 0 442.346 4.717 50 0 IJAARN C[C@@H](Sc1ccccc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023039023 556985309 /nfs/dbraw/zinc/98/53/09/556985309.db2.gz POOOJISTNNXEMI-CYBMUJFWSA-N 0 0 429.895 4.583 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000023054926 556988760 /nfs/dbraw/zinc/98/87/60/556988760.db2.gz RUBXRLXEFYXMPQ-UHFFFAOYSA-N 0 0 432.505 4.520 50 0 IJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000097122991 556990847 /nfs/dbraw/zinc/99/08/47/556990847.db2.gz OEJSHSCFIKLGMO-OAHLLOKOSA-N 0 0 442.361 4.934 50 0 IJAARN CC(C)N1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000020290682 557005685 /nfs/dbraw/zinc/00/56/85/557005685.db2.gz OICOWFDJQOCDTC-UHFFFAOYSA-N 0 0 436.566 4.539 50 0 IJAARN Cc1cc(/C=C\C(=O)N2CCN(c3cccc(C)c3)CC2)c(C)n1-c1ccnn1C(C)C ZINC000096925765 557006109 /nfs/dbraw/zinc/00/61/09/557006109.db2.gz WJBNQVXVBQVDLM-KTKRTIGZSA-N 0 0 431.584 4.542 50 0 IJAARN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000023119198 557007145 /nfs/dbraw/zinc/00/71/45/557007145.db2.gz AXUXFUSVCZJVOG-JOCHJYFZSA-N 0 0 449.528 4.643 50 0 IJAARN C[C@H]1Oc2ccccc2N(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1=O ZINC000023126529 557008238 /nfs/dbraw/zinc/00/82/38/557008238.db2.gz TVLQSBALLVOPRI-QGZVFWFLSA-N 0 0 427.460 4.630 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@H]2C)c2ccccc23)c1 ZINC000020355987 557010250 /nfs/dbraw/zinc/01/02/50/557010250.db2.gz OQLKKCQTPNUZHC-VQIMIIECSA-N 0 0 449.580 4.718 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1F ZINC000023127059 557011819 /nfs/dbraw/zinc/01/18/19/557011819.db2.gz JSWKYESCTICQBA-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN CN1CCc2c(sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020392435 557012706 /nfs/dbraw/zinc/01/27/06/557012706.db2.gz JLSDQMWNIVHVFZ-UHFFFAOYSA-N 0 0 433.602 4.770 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Cn2c3ccccc3nc2-c2cscn2)c(OC)c1 ZINC000011261856 557013975 /nfs/dbraw/zinc/01/39/75/557013975.db2.gz WRVOWSQJEMNJCD-HXUWFJFHSA-N 0 0 448.548 4.541 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1Cl ZINC000045994493 557014813 /nfs/dbraw/zinc/01/48/13/557014813.db2.gz GQAVRRPLAOUUDM-UHFFFAOYSA-N 0 0 445.906 4.936 50 0 IJAARN Cc1ccccc1OCC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418974 557015205 /nfs/dbraw/zinc/01/52/05/557015205.db2.gz WTXOPWBQEJNQGI-JOCHJYFZSA-N 0 0 433.895 4.983 50 0 IJAARN CSc1cccc(NC(=O)COc2cc(C)c3c(C)nn(-c4cccc(F)c4)c3n2)c1 ZINC000045991002 557016791 /nfs/dbraw/zinc/01/67/91/557016791.db2.gz XOOJGGSCVVSHEO-UHFFFAOYSA-N 0 0 436.512 4.916 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)NC(C)C)cc(C(F)(F)F)c12 ZINC000045991340 557017006 /nfs/dbraw/zinc/01/70/06/557017006.db2.gz BPLUPNSCXSWCSG-UHFFFAOYSA-N 0 0 440.853 4.613 50 0 IJAARN CCN(Cc1ccccc1)C(=O)COc1cc(C)c2c(C)nn(-c3cccc(F)c3)c2n1 ZINC000045991054 557017118 /nfs/dbraw/zinc/01/71/18/557017118.db2.gz WYJFEFXKJBNMOO-UHFFFAOYSA-N 0 0 432.499 4.604 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(N(C)C)cc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000046012617 557019104 /nfs/dbraw/zinc/01/91/04/557019104.db2.gz AOKKMKQULTZRST-UHFFFAOYSA-N 0 0 447.926 4.915 50 0 IJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1C)n2C ZINC000046017008 557020162 /nfs/dbraw/zinc/02/01/62/557020162.db2.gz QGRUIZWNXOJNTM-LJQANCHMSA-N 0 0 449.576 4.644 50 0 IJAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000046018683 557020635 /nfs/dbraw/zinc/02/06/35/557020635.db2.gz CFZFPIXMEZWFDW-IBGZPJMESA-N 0 0 430.508 4.523 50 0 IJAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2=O)c1 ZINC000046018660 557020743 /nfs/dbraw/zinc/02/07/43/557020743.db2.gz UDODZIWMAMPENH-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1nc2ccccc2n1CCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000010737091 557021949 /nfs/dbraw/zinc/02/19/49/557021949.db2.gz BUJGDGCGSIRDLW-UHFFFAOYSA-N 0 0 437.499 4.857 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022308 557022004 /nfs/dbraw/zinc/02/20/04/557022004.db2.gz SKNOIKJBZWLBDR-UHFFFAOYSA-N 0 0 443.594 4.999 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)NCc3ccc(OC(C)C)cc3)cc(C)c12 ZINC000046016726 557023363 /nfs/dbraw/zinc/02/33/63/557023363.db2.gz MXZLTSPOWLUKJL-UHFFFAOYSA-N 0 0 444.535 4.520 50 0 IJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NCCc1ccccc1 ZINC000032944415 557025632 /nfs/dbraw/zinc/02/56/32/557025632.db2.gz RYHHQLMLIHRTHG-UHFFFAOYSA-N 0 0 431.536 4.811 50 0 IJAARN Cc1nc2ccc(NC(=O)CCSc3ccccc3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143935 557025922 /nfs/dbraw/zinc/02/59/22/557025922.db2.gz UPYQPHIYHNUCPN-UHFFFAOYSA-N 0 0 433.508 4.954 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000046046783 557027727 /nfs/dbraw/zinc/02/77/27/557027727.db2.gz FMPAAUZFYBEDLW-UHFFFAOYSA-N 0 0 439.441 4.860 50 0 IJAARN Nc1nc(SCC(=O)Nc2ccc(F)c(F)c2F)nc2sc3c(c21)CCCCC3 ZINC000032945315 557028292 /nfs/dbraw/zinc/02/82/92/557028292.db2.gz JXHBIYMMPJURFA-UHFFFAOYSA-N 0 0 438.500 4.691 50 0 IJAARN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 ZINC000046057065 557028719 /nfs/dbraw/zinc/02/87/19/557028719.db2.gz WABIYECNXMNIDP-SFHVURJKSA-N 0 0 438.325 4.814 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046057055 557028792 /nfs/dbraw/zinc/02/87/92/557028792.db2.gz ZPNGFZISCWZSNU-SFHVURJKSA-N 0 0 438.325 4.869 50 0 IJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1OC ZINC000046056860 557028851 /nfs/dbraw/zinc/02/88/51/557028851.db2.gz JSHZEHUFHSAWGX-IBGZPJMESA-N 0 0 433.508 4.514 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NC3CCCC3)cc2c1 ZINC000046073519 557029755 /nfs/dbraw/zinc/02/97/55/557029755.db2.gz YNKNPVMTWXQTCI-UHFFFAOYSA-N 0 0 428.579 4.540 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 ZINC000046073624 557029788 /nfs/dbraw/zinc/02/97/88/557029788.db2.gz XGOGFAWFTGOJGO-HNNXBMFYSA-N 0 0 446.594 4.653 50 0 IJAARN COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000023157855 557030847 /nfs/dbraw/zinc/03/08/47/557030847.db2.gz WASKJAUQSQILTM-JOCHJYFZSA-N 0 0 448.592 4.858 50 0 IJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)c3ccc(F)cc3)cc1C(=O)N2 ZINC000046077545 557033221 /nfs/dbraw/zinc/03/32/21/557033221.db2.gz OSTMQCNGXDEEAT-UHFFFAOYSA-N 0 0 446.887 4.971 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078715 557033548 /nfs/dbraw/zinc/03/35/48/557033548.db2.gz MPSXSGODWWFPLB-UHFFFAOYSA-N 0 0 428.488 4.627 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1)N1CCc2ccccc2C1 ZINC000046079800 557035091 /nfs/dbraw/zinc/03/50/91/557035091.db2.gz KIMFPEJREDGOQH-UHFFFAOYSA-N 0 0 425.532 4.717 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527671 557035333 /nfs/dbraw/zinc/03/53/33/557035333.db2.gz NYVQHPFTYZUGRQ-RYROAXFFSA-N 0 0 440.568 4.903 50 0 IJAARN CC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080084 557035654 /nfs/dbraw/zinc/03/56/54/557035654.db2.gz ONLRDPPHBUIVAU-UHFFFAOYSA-N 0 0 427.504 4.974 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OCC)s3)no2)cc1 ZINC000046086309 557035853 /nfs/dbraw/zinc/03/58/53/557035853.db2.gz SAAZFMDWSMBGGV-UHFFFAOYSA-N 0 0 429.498 4.714 50 0 IJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123383 557037105 /nfs/dbraw/zinc/03/71/05/557037105.db2.gz PWDUGNCLPIHIOO-HNNXBMFYSA-N 0 0 440.956 4.772 50 0 IJAARN C[C@@H](C(=O)N[C@@H](C)Cc1ccco1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125118 557037887 /nfs/dbraw/zinc/03/78/87/557037887.db2.gz GVUFGOHHVBVDBT-JKSUJKDBSA-N 0 0 441.959 4.650 50 0 IJAARN C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181455 557045276 /nfs/dbraw/zinc/04/52/76/557045276.db2.gz KTDAXBSSWSYASF-WZONZLPQSA-N 0 0 429.605 4.836 50 0 IJAARN CCOC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 ZINC000017297171 557047187 /nfs/dbraw/zinc/04/71/87/557047187.db2.gz CXLCKHDHMGGSLM-UHFFFAOYSA-N 0 0 427.551 4.888 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271763 557050008 /nfs/dbraw/zinc/05/00/08/557050008.db2.gz NQTLGYQEJLBCCS-UHFFFAOYSA-N 0 0 435.768 4.855 50 0 IJAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)NCCC2=CCCCC2)c2ccccc21 ZINC000004734593 557051749 /nfs/dbraw/zinc/05/17/49/557051749.db2.gz VVZIAJNDFRHRJC-AREMUKBSSA-N 0 0 427.548 4.730 50 0 IJAARN CCc1cc2oc(=O)cc(COC(=O)c3cncn3-c3ccc(F)cc3)c2cc1Cl ZINC000048252433 557052253 /nfs/dbraw/zinc/05/22/53/557052253.db2.gz ITGCIOYMJRWUKT-UHFFFAOYSA-N 0 0 426.831 4.691 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(F)c4)c3C)c(C)o2)cc1 ZINC000017314963 557052795 /nfs/dbraw/zinc/05/27/95/557052795.db2.gz YPMBKHBPMRZDRU-UHFFFAOYSA-N 0 0 449.486 4.697 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(Cl)cc3)c2C)sc1C(=O)NCc1ccc(C)cc1 ZINC000033273864 557053188 /nfs/dbraw/zinc/05/31/88/557053188.db2.gz IRHPEHFTBAGTIH-UHFFFAOYSA-N 0 0 437.956 4.899 50 0 IJAARN CCCCN(c1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000048289849 557054664 /nfs/dbraw/zinc/05/46/64/557054664.db2.gz CJAFNBBFYHPJCA-UHFFFAOYSA-N 0 0 443.396 4.825 50 0 IJAARN CC(=O)Nc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039317 557056048 /nfs/dbraw/zinc/05/60/48/557056048.db2.gz AOPLDTRJAXAWAF-XMMPIXPASA-N 0 0 444.535 4.826 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 ZINC000017316396 557056899 /nfs/dbraw/zinc/05/68/99/557056899.db2.gz ADEAXPUQSGSDIE-UHFFFAOYSA-N 0 0 434.561 4.637 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2c(C)cccc2CC)c3=O)cc1 ZINC000033277740 557059501 /nfs/dbraw/zinc/05/95/01/557059501.db2.gz YIWCUUACOKVCSQ-UHFFFAOYSA-N 0 0 430.508 4.514 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000023053319 557059882 /nfs/dbraw/zinc/05/98/82/557059882.db2.gz JJYXZWIWRNZLRS-UHFFFAOYSA-N 0 0 440.503 4.502 50 0 IJAARN Cn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)N1CCCc2ccccc21 ZINC000033278102 557059903 /nfs/dbraw/zinc/05/99/03/557059903.db2.gz PNKPFKHZBXEWDB-UHFFFAOYSA-N 0 0 447.585 4.734 50 0 IJAARN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033278906 557060682 /nfs/dbraw/zinc/06/06/82/557060682.db2.gz INQITLOABFJZMK-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)C1 ZINC000023074781 557061722 /nfs/dbraw/zinc/06/17/22/557061722.db2.gz KEVQDHVNMIASAB-HNNXBMFYSA-N 0 0 440.594 4.941 50 0 IJAARN CN(C(=O)CSc1ccc(C(=O)N2CCCC2)cn1)C(c1ccccc1)c1ccccc1 ZINC000048314685 557064763 /nfs/dbraw/zinc/06/47/63/557064763.db2.gz WGEGGOSABQULDJ-UHFFFAOYSA-N 0 0 445.588 4.658 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000023126796 557065438 /nfs/dbraw/zinc/06/54/38/557065438.db2.gz JWSJVDMBVMMPAL-UHFFFAOYSA-N 0 0 439.924 4.734 50 0 IJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 ZINC000033288306 557065604 /nfs/dbraw/zinc/06/56/04/557065604.db2.gz WZTXEPMQLGXXNU-UHFFFAOYSA-N 0 0 432.524 4.695 50 0 IJAARN COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1 ZINC000048324930 557065663 /nfs/dbraw/zinc/06/56/63/557065663.db2.gz HROCGIPXUBQLNC-DQKMOBTKSA-N 0 0 446.591 4.622 50 0 IJAARN C[C@H](CNC(=O)CCc1nc(-c2ccc(N3CCC(C)CC3)cc2)no1)c1ccccc1 ZINC000033283465 557068602 /nfs/dbraw/zinc/06/86/02/557068602.db2.gz YARYSKZWDUCDHV-HXUWFJFHSA-N 0 0 432.568 4.825 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290511 557068869 /nfs/dbraw/zinc/06/88/69/557068869.db2.gz GWWWNHZZKHJFPK-OAHLLOKOSA-N 0 0 438.890 4.701 50 0 IJAARN COc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3c3nc4ccccc4s3)CC2)c1 ZINC000048340177 557070433 /nfs/dbraw/zinc/07/04/33/557070433.db2.gz IYDULPRDFLCZRK-RTWAWAEBSA-N 0 0 433.577 4.704 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000033297864 557073629 /nfs/dbraw/zinc/07/36/29/557073629.db2.gz BXVYRSIOGPELNA-XFXZXTDPSA-N 0 0 445.928 4.956 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)COC(=O)CCC(=O)c3ccc(Cl)cc3)c2)cs1 ZINC000023221174 557074157 /nfs/dbraw/zinc/07/41/57/557074157.db2.gz REEIMLQJJWBPDU-UHFFFAOYSA-N 0 0 442.924 4.917 50 0 IJAARN COc1ccccc1CNS(=O)(=O)c1c(C)sc(C)c1-c1cc(C(F)(F)F)on1 ZINC000033299369 557078061 /nfs/dbraw/zinc/07/80/61/557078061.db2.gz QJAATUVMGHXVID-UHFFFAOYSA-N 0 0 446.472 4.526 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000048990991 557080428 /nfs/dbraw/zinc/08/04/28/557080428.db2.gz IVPSMGDNHWTMJY-UHFFFAOYSA-N 0 0 444.578 4.841 50 0 IJAARN O=C(Cn1cnc2sccc2c1=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000023297842 557082963 /nfs/dbraw/zinc/08/29/63/557082963.db2.gz OJAMHEWXFZZQDX-UHFFFAOYSA-N 0 0 425.307 4.770 50 0 IJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2cccc(Br)c2)n1 ZINC000049004951 557084055 /nfs/dbraw/zinc/08/40/55/557084055.db2.gz VJMKJEIAIMVLGV-UHFFFAOYSA-N 0 0 443.370 4.633 50 0 IJAARN COc1cccc(CNc2nc(C)c(-c3ccn(C[C@H]4COc5ccccc5O4)n3)s2)c1 ZINC000023337621 557084704 /nfs/dbraw/zinc/08/47/04/557084704.db2.gz IYZYVLYGHRJCCK-IBGZPJMESA-N 0 0 448.548 4.776 50 0 IJAARN COc1ccc(NC(=O)c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1Cl ZINC000049006150 557084818 /nfs/dbraw/zinc/08/48/18/557084818.db2.gz MOCBTXQPLHPOQL-UHFFFAOYSA-N 0 0 426.885 4.698 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)c1OC ZINC000033308244 557088168 /nfs/dbraw/zinc/08/81/68/557088168.db2.gz WAUUTDNZUPAVRV-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(OCc3nnc(-c4ccc(OC)cc4)o3)cc2)cc1 ZINC000033308303 557088553 /nfs/dbraw/zinc/08/85/53/557088553.db2.gz AUUJIYKLPGFYDK-UHFFFAOYSA-N 0 0 445.475 4.514 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 ZINC000011323154 557088554 /nfs/dbraw/zinc/08/85/54/557088554.db2.gz NEOKPBOHQHVRCM-UHFFFAOYSA-N 0 0 431.460 4.535 50 0 IJAARN CCOc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)n1 ZINC000011329066 557091273 /nfs/dbraw/zinc/09/12/73/557091273.db2.gz OISVKBQWNQHITP-UHFFFAOYSA-N 0 0 444.516 4.930 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)N1CCCC1 ZINC000023484336 557094548 /nfs/dbraw/zinc/09/45/48/557094548.db2.gz QPFDNRBSJOMKHE-ZBFHGGJFSA-N 0 0 432.659 4.798 50 0 IJAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000023504914 557095333 /nfs/dbraw/zinc/09/53/33/557095333.db2.gz CXVRIESRDYEUOY-GFCCVEGCSA-N 0 0 445.516 4.684 50 0 IJAARN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000023525932 557095747 /nfs/dbraw/zinc/09/57/47/557095747.db2.gz LXGUTKWIITZLGM-OXJNMPFZSA-N 0 0 431.374 4.779 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000023529249 557095888 /nfs/dbraw/zinc/09/58/88/557095888.db2.gz XXOKCPKPRDCMPB-UHFFFAOYSA-N 0 0 425.312 4.736 50 0 IJAARN O=C(c1ccccc1)N1CCc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21 ZINC000033312727 557096556 /nfs/dbraw/zinc/09/65/56/557096556.db2.gz VNBHQEFVXOLGMO-UHFFFAOYSA-N 0 0 445.950 4.505 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000023555567 557098123 /nfs/dbraw/zinc/09/81/23/557098123.db2.gz KYMGRLZBSPJQSH-VOJFVSQTSA-N 0 0 429.294 4.903 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000049403313 557098801 /nfs/dbraw/zinc/09/88/01/557098801.db2.gz VKTBFJZGELOORC-UHFFFAOYSA-N 0 0 440.931 4.525 50 0 IJAARN O=C(CN1CCC(c2nc(-c3cccs3)no2)CC1)Nc1ccccc1C(F)(F)F ZINC000049403547 557099165 /nfs/dbraw/zinc/09/91/65/557099165.db2.gz JWEDJDZJDCPCNY-UHFFFAOYSA-N 0 0 436.459 4.635 50 0 IJAARN Cc1cc(NC(=O)CSc2ccc(-c3nc(C4CC4)no3)cn2)ccc1Br ZINC000049405576 557100674 /nfs/dbraw/zinc/10/06/74/557100674.db2.gz USCZQIABNNZCKE-UHFFFAOYSA-N 0 0 445.342 4.811 50 0 IJAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccccc1OC(F)(F)F ZINC000049544879 557111098 /nfs/dbraw/zinc/11/10/98/557111098.db2.gz ICFLVBBTITUGRN-CQSZACIVSA-N 0 0 438.402 4.685 50 0 IJAARN CCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1cccc(C)c1 ZINC000033328854 557112367 /nfs/dbraw/zinc/11/23/67/557112367.db2.gz LJPQJGKOHSKRQB-UHFFFAOYSA-N 0 0 443.532 4.991 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C3=O)o1 ZINC000033331884 557116348 /nfs/dbraw/zinc/11/63/48/557116348.db2.gz ZCPOVJKETZPTTC-RUZDIDTESA-N 0 0 437.515 4.545 50 0 IJAARN O=C(/C=C\c1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033332870 557117900 /nfs/dbraw/zinc/11/79/00/557117900.db2.gz HTDXRQRXFZCXBL-TWGQIWQCSA-N 0 0 439.275 4.830 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(F)c(Cl)c1 ZINC000113626526 557118869 /nfs/dbraw/zinc/11/88/69/557118869.db2.gz HRUOCXQRIUZTNZ-IRXDYDNUSA-N 0 0 444.915 4.666 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000024647551 557121039 /nfs/dbraw/zinc/12/10/39/557121039.db2.gz JRSOLFMAKMEKDW-UHFFFAOYSA-N 0 0 435.749 4.621 50 0 IJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000023241099 557121587 /nfs/dbraw/zinc/12/15/87/557121587.db2.gz DIJKYJFLHWQXPL-UHFFFAOYSA-N 0 0 441.579 4.691 50 0 IJAARN Cc1nnc(SCC(=O)Nc2nnc(SCc3cccc4ccccc43)s2)s1 ZINC000098086717 557122592 /nfs/dbraw/zinc/12/25/92/557122592.db2.gz DWCICKVFRYFRGX-UHFFFAOYSA-N 0 0 445.620 4.874 50 0 IJAARN Cn1nnnc1SCC(=O)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000000637747 557123367 /nfs/dbraw/zinc/12/33/67/557123367.db2.gz OALIAJNXRWDBOL-UHFFFAOYSA-N 0 0 440.381 4.540 50 0 IJAARN COc1ccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1Cc1ccccc1 ZINC000023885290 557123861 /nfs/dbraw/zinc/12/38/61/557123861.db2.gz HLPPXUDOBMZWDQ-UHFFFAOYSA-N 0 0 446.528 4.734 50 0 IJAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000649485 557124855 /nfs/dbraw/zinc/12/48/55/557124855.db2.gz YPWCQLUFGUCWDQ-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)NC3CCCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800041 557127435 /nfs/dbraw/zinc/12/74/35/557127435.db2.gz KDTIPVKVZIOSLX-ILBGXUMGSA-N 0 0 436.552 4.637 50 0 IJAARN O=C(COC(=O)Cc1csc(-c2cccs2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000017935078 557129287 /nfs/dbraw/zinc/12/92/87/557129287.db2.gz NVRPYRBRVNZTHK-UHFFFAOYSA-N 0 0 426.441 4.615 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000023982364 557129323 /nfs/dbraw/zinc/12/93/23/557129323.db2.gz HFEBTNVBLDCDSJ-UHFFFAOYSA-N 0 0 434.500 4.585 50 0 IJAARN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(CC)c1cccc(C)c1 ZINC000004801195 557130117 /nfs/dbraw/zinc/13/01/17/557130117.db2.gz KUTTUDGIFJAACQ-UHFFFAOYSA-N 0 0 434.536 4.696 50 0 IJAARN O=c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)[nH]c2scc(-c3ccccc3)c21 ZINC000024001805 557131187 /nfs/dbraw/zinc/13/11/87/557131187.db2.gz BTTYLRWEHFJMOK-KRWDZBQOSA-N 0 0 437.590 4.894 50 0 IJAARN COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 ZINC000002979112 557134457 /nfs/dbraw/zinc/13/44/57/557134457.db2.gz LLVQHHJRMFUPEC-JWJKVXABSA-N 0 0 425.440 4.924 50 0 IJAARN CC(C)CC[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000011385992 557137536 /nfs/dbraw/zinc/13/75/36/557137536.db2.gz YUVHJKJIHWCKLZ-HNNXBMFYSA-N 0 0 447.988 4.724 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc32)cc1 ZINC000003146695 557144313 /nfs/dbraw/zinc/14/43/13/557144313.db2.gz WRPLZERXEQKXIY-UHFFFAOYSA-N 0 0 432.501 4.902 50 0 IJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000024366126 557145312 /nfs/dbraw/zinc/14/53/12/557145312.db2.gz VKGHSFJKBYXFCQ-UHFFFAOYSA-N 0 0 434.439 4.759 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(I)c1 ZINC000011430399 557146615 /nfs/dbraw/zinc/14/66/15/557146615.db2.gz YSZVGOOXKMUONF-UHFFFAOYSA-N 0 0 436.224 4.657 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccc(F)cc1 ZINC000024606001 557153139 /nfs/dbraw/zinc/15/31/39/557153139.db2.gz DLCQNHPYVNRUQB-UHFFFAOYSA-N 0 0 444.553 4.523 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1Cl ZINC000024607766 557153643 /nfs/dbraw/zinc/15/36/43/557153643.db2.gz YIZIEYOBIRPXSS-UHFFFAOYSA-N 0 0 430.888 4.602 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)cn2)n1 ZINC000024713249 557160023 /nfs/dbraw/zinc/16/00/23/557160023.db2.gz WITKCUCLCZAKIN-UHFFFAOYSA-N 0 0 425.851 4.892 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1 ZINC000024755887 557163223 /nfs/dbraw/zinc/16/32/23/557163223.db2.gz QLFHIFWGSHIFHQ-GXTWGEPZSA-N 0 0 448.976 4.763 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1nc(C(C)(C)C)no1 ZINC000024755873 557163311 /nfs/dbraw/zinc/16/33/11/557163311.db2.gz QLFHIFWGSHIFHQ-OCCSQVGLSA-N 0 0 448.976 4.763 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206839815 557166328 /nfs/dbraw/zinc/16/63/28/557166328.db2.gz PNJNJKCMRVWGGA-LJQANCHMSA-N 0 0 429.476 4.527 50 0 IJAARN CC(C)CNC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1 ZINC000000746320 557167641 /nfs/dbraw/zinc/16/76/41/557167641.db2.gz HRYJSKOPBBNGPV-UHFFFAOYSA-N 0 0 444.373 4.687 50 0 IJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCc1ccc2c(c1)OCO2 ZINC000024838910 557172900 /nfs/dbraw/zinc/17/29/00/557172900.db2.gz MKTJOKZUAGVSEV-SFHVURJKSA-N 0 0 430.504 4.820 50 0 IJAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000010967566 557176582 /nfs/dbraw/zinc/17/65/82/557176582.db2.gz VLSKJPDOYAQFET-QGZVFWFLSA-N 0 0 430.529 4.796 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc(Br)c1OCC ZINC000097987589 557183862 /nfs/dbraw/zinc/18/38/62/557183862.db2.gz LMRWCXOGFHLIIM-GZTJUZNOSA-N 0 0 430.298 4.899 50 0 IJAARN COc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)cc(OC)c1 ZINC000024978911 557185275 /nfs/dbraw/zinc/18/52/75/557185275.db2.gz QWUJZFDDHZUNEV-UHFFFAOYSA-N 0 0 440.293 4.950 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)ccc2ccccc21 ZINC000009306050 557186066 /nfs/dbraw/zinc/18/60/66/557186066.db2.gz CSQCXXFCCJYJKZ-OXJNMPFZSA-N 0 0 438.597 4.643 50 0 IJAARN COc1cccc(NC(=O)[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984888 557186164 /nfs/dbraw/zinc/18/61/64/557186164.db2.gz NAVMWSPOZJOVBZ-CLOONOSVSA-N 0 0 426.520 4.912 50 0 IJAARN CN(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024991199 557187680 /nfs/dbraw/zinc/18/76/80/557187680.db2.gz IFDSUGLGBQPXKC-UHFFFAOYSA-N 0 0 430.455 4.697 50 0 IJAARN O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000025011272 557189271 /nfs/dbraw/zinc/18/92/71/557189271.db2.gz DGWLLAYUFRYLSQ-UHFFFAOYSA-N 0 0 447.292 4.513 50 0 IJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000025061465 557193289 /nfs/dbraw/zinc/19/32/89/557193289.db2.gz LOZAMKCQIGNVFH-MJBXVCDLSA-N 0 0 426.007 4.525 50 0 IJAARN COc1ccccc1N1CCN(Cn2c3ccccc3n(-c3ccccc3)c2=S)CC1 ZINC000025157407 557197718 /nfs/dbraw/zinc/19/77/18/557197718.db2.gz PMWDRWIIMOSTQU-UHFFFAOYSA-N 0 0 430.577 4.950 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(F)cc1 ZINC000096316940 557198691 /nfs/dbraw/zinc/19/86/91/557198691.db2.gz DICURNXSLVJANJ-SFHVURJKSA-N 0 0 438.591 4.731 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1OC ZINC000010041303 557201702 /nfs/dbraw/zinc/20/17/02/557201702.db2.gz QHKCJFBCFKIYMS-UHFFFAOYSA-N 0 0 442.349 4.747 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000025277332 557202486 /nfs/dbraw/zinc/20/24/86/557202486.db2.gz QIZVYDMCLQDXFZ-UHFFFAOYSA-N 0 0 425.876 4.530 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(NC(=O)c2ccco2)cc1C ZINC000025276911 557202491 /nfs/dbraw/zinc/20/24/91/557202491.db2.gz ZYFLKKRUNVVHKU-UHFFFAOYSA-N 0 0 440.481 4.597 50 0 IJAARN CCN(Cc1cccs1)C(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000025288407 557202720 /nfs/dbraw/zinc/20/27/20/557202720.db2.gz MEARKIUBCQQSRI-UHFFFAOYSA-N 0 0 435.471 4.801 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1OCCC ZINC000025320453 557203422 /nfs/dbraw/zinc/20/34/22/557203422.db2.gz RVTIBSHGJGIPTF-QUCCMNQESA-N 0 0 442.556 4.587 50 0 IJAARN CC(C)c1ccccc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000169621108 557208514 /nfs/dbraw/zinc/20/85/14/557208514.db2.gz AUVXLEDILFOJEZ-DEOSSOPVSA-N 0 0 426.520 4.772 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)o2)s1 ZINC000025459582 557211190 /nfs/dbraw/zinc/21/11/90/557211190.db2.gz QMONVZALHMDXJQ-AWEZNQCLSA-N 0 0 428.583 4.729 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000025466676 557211512 /nfs/dbraw/zinc/21/15/12/557211512.db2.gz ZOGYXBJWPBZNQF-UHFFFAOYSA-N 0 0 428.517 4.578 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2ncccn2)cc1 ZINC000000797114 557211959 /nfs/dbraw/zinc/21/19/59/557211959.db2.gz OITMRGUQXMGHLC-FGZHOGPDSA-N 0 0 433.558 4.805 50 0 aggregator IJAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(OC)c1 ZINC000000797676 557212976 /nfs/dbraw/zinc/21/29/76/557212976.db2.gz HDMJDZLNRDSRRQ-VWLOTQADSA-N 0 0 448.544 4.730 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000018017321 557214401 /nfs/dbraw/zinc/21/44/01/557214401.db2.gz FOBFZQNKXJREPX-SFHVURJKSA-N 0 0 444.560 4.688 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc(-n2ccnc2)nc1 ZINC000025572774 557215104 /nfs/dbraw/zinc/21/51/04/557215104.db2.gz XFLWDCGBIWHNHA-FQEVSTJZSA-N 0 0 441.922 4.964 50 0 IJAARN CCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1coc2ccccc2c1=O ZINC000101061375 557219002 /nfs/dbraw/zinc/21/90/02/557219002.db2.gz LQPWKPBVIUJKSY-XDOYNYLZSA-N 0 0 443.322 4.723 50 0 IJAARN CCCn1c(C)c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000025621693 557219708 /nfs/dbraw/zinc/21/97/08/557219708.db2.gz DKOVVRZMSKVQMP-UHFFFAOYSA-N 0 0 433.552 4.859 50 0 IJAARN COCc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4cccc(OC(F)(F)F)c4)ccc3O2)o1 ZINC000014959635 557223209 /nfs/dbraw/zinc/22/32/09/557223209.db2.gz JRLLQUOYIXCERF-IBGZPJMESA-N 0 0 447.409 4.725 50 0 IJAARN Cc1nnc(SC[C@@H](O)Cn2c3ccccc3c3ccccc32)n1Cc1ccccc1 ZINC000025830728 557228104 /nfs/dbraw/zinc/22/81/04/557228104.db2.gz XRGMHDROWPHYAV-FQEVSTJZSA-N 0 0 428.561 4.896 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@H](C)C2 ZINC000023320800 557231664 /nfs/dbraw/zinc/23/16/64/557231664.db2.gz KMTPAJMOMPVCFR-ZETCQYMHSA-N 0 0 433.398 4.997 50 0 IJAARN COc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1c(C)noc1C ZINC000018047767 557233726 /nfs/dbraw/zinc/23/37/26/557233726.db2.gz GBVUHAOWATZLOZ-MRXNPFEDSA-N 0 0 446.507 4.556 50 0 IJAARN CCOC(=O)N[C@@H](c1ccc(OC)cc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000100081752 557233915 /nfs/dbraw/zinc/23/39/15/557233915.db2.gz WETKGAXXUYZMEI-QHCPKHFHSA-N 0 0 431.488 4.864 50 0 IJAARN COc1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000018044649 557234317 /nfs/dbraw/zinc/23/43/17/557234317.db2.gz LBRWZPVCECDHRK-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000026115093 557234912 /nfs/dbraw/zinc/23/49/12/557234912.db2.gz VXWGKPIHKFGTHA-UHFFFAOYSA-N 0 0 432.611 4.570 50 0 IJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1OC ZINC000032950684 557237650 /nfs/dbraw/zinc/23/76/50/557237650.db2.gz PHUPHZNUPLXPEV-UHFFFAOYSA-N 0 0 434.471 4.681 50 0 IJAARN O=C(Cc1csc(-c2ccccn2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000026364664 557239725 /nfs/dbraw/zinc/23/97/25/557239725.db2.gz XWNLTAJTQIBXHB-INIZCTEOSA-N 0 0 436.562 4.570 50 0 IJAARN O=C(Nc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1)[C@H]1CCCO1 ZINC000024928719 557240832 /nfs/dbraw/zinc/24/08/32/557240832.db2.gz LNJJLKVKNOEJBY-HSZRJFAPSA-N 0 0 434.561 4.751 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000008132694 557242664 /nfs/dbraw/zinc/24/26/64/557242664.db2.gz IBCWRAYIWCSVDD-XNTDXEJSSA-N 0 0 431.580 4.958 50 0 IJAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000026543106 557244170 /nfs/dbraw/zinc/24/41/70/557244170.db2.gz UXJBHZRYLMXOEC-UHFFFAOYSA-N 0 0 444.397 4.976 50 0 IJAARN C[C@@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@H](C)O1 ZINC000018165275 557244883 /nfs/dbraw/zinc/24/48/83/557244883.db2.gz BIZAJYNCAAMPKZ-IYBDPMFKSA-N 0 0 427.932 4.591 50 0 IJAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCc4cn(C)c5ccccc45)c(C)c3cc12 ZINC000604403890 557246425 /nfs/dbraw/zinc/24/64/25/557246425.db2.gz CFUHXDFRLQDURE-UHFFFAOYSA-N 0 0 428.488 4.549 50 0 biogenic IJAARN O=C(NC1CC1)c1ccc(CN(Cc2cnn(-c3ccccc3)c2)Cc2ccco2)cc1 ZINC000026927090 557251788 /nfs/dbraw/zinc/25/17/88/557251788.db2.gz WXSGHLDAOGZIDP-UHFFFAOYSA-N 0 0 426.520 4.560 50 0 IJAARN CCO[P@](=O)(c1ccccc1)[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000026962945 557252461 /nfs/dbraw/zinc/25/24/61/557252461.db2.gz MWFYWIUBMVSTSX-YHAMSUFESA-N 0 0 438.650 4.892 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c(=N)n(Cc3ccco3)cnc1O2 ZINC000101120644 557260758 /nfs/dbraw/zinc/26/07/58/557260758.db2.gz QHKYGRQFBTUILU-JOCHJYFZSA-N 0 0 435.487 4.784 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2F)cc1Cl ZINC000027392605 557261548 /nfs/dbraw/zinc/26/15/48/557261548.db2.gz SSRSLWMOGUUEOI-UHFFFAOYSA-N 0 0 427.701 4.976 50 0 IJAARN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc2n1C ZINC000027564065 557265851 /nfs/dbraw/zinc/26/58/51/557265851.db2.gz XGXJQDRYVUSJHN-RUZDIDTESA-N 0 0 427.479 4.810 50 0 IJAARN CNC(=O)c1ccc(CN(Cc2ccco2)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000027574831 557266197 /nfs/dbraw/zinc/26/61/97/557266197.db2.gz RJPNOEGEKCWBMD-UHFFFAOYSA-N 0 0 430.504 4.565 50 0 IJAARN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1OC ZINC000072272001 557267125 /nfs/dbraw/zinc/26/71/25/557267125.db2.gz WUJPGMJPKHKAMJ-OAQYLSRUSA-N 0 0 437.515 4.919 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000000821129 557268179 /nfs/dbraw/zinc/26/81/79/557268179.db2.gz GESQPOHRWYUNPH-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(CN(Cc2sc3ccccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027653276 557268611 /nfs/dbraw/zinc/26/86/11/557268611.db2.gz GYHUAQWDQYCSKM-INIZCTEOSA-N 0 0 435.998 4.753 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 ZINC000027752491 557273110 /nfs/dbraw/zinc/27/31/10/557273110.db2.gz JJOKNDDVRPVXNM-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000100744382 557275342 /nfs/dbraw/zinc/27/53/42/557275342.db2.gz HFHOXXCKQXYOKK-RRQGHBQHSA-N 0 0 442.309 4.594 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@@H]1c1ccc(C)cc1 ZINC000101401139 557280122 /nfs/dbraw/zinc/28/01/22/557280122.db2.gz IHSRMYIDZUIHMS-JOCHJYFZSA-N 0 0 439.581 4.582 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCCCC3)N2[C@H]1c1ccc(C)cc1 ZINC000101401143 557280213 /nfs/dbraw/zinc/28/02/13/557280213.db2.gz IHSRMYIDZUIHMS-QFIPXVFZSA-N 0 0 439.581 4.582 50 0 IJAARN COc1cc(CN(C)C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)ccc1OC(F)F ZINC000013095414 557281589 /nfs/dbraw/zinc/28/15/89/557281589.db2.gz POCBMJNANGIBQC-SOFGYWHQSA-N 0 0 441.858 4.639 50 0 IJAARN Cc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCC(C)C)N21 ZINC000101385524 557281924 /nfs/dbraw/zinc/28/19/24/557281924.db2.gz FGZBWDLKCDXTRW-QFIPXVFZSA-N 0 0 441.597 4.684 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2cc(C)c(Cl)cc2C(C)C)c1C ZINC000014014068 557282056 /nfs/dbraw/zinc/28/20/56/557282056.db2.gz IHKFOHWACUZTOV-UHFFFAOYSA-N 0 0 449.931 4.698 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101404442 557282956 /nfs/dbraw/zinc/28/29/56/557282956.db2.gz WBBIHZDZFADHHK-NRFANRHFSA-N 0 0 445.560 4.516 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101399875 557283420 /nfs/dbraw/zinc/28/34/20/557283420.db2.gz JUKOROSPIHKYTK-OAQYLSRUSA-N 0 0 445.560 4.516 50 0 IJAARN CC(C)CCn1ccc2c1cccc2NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000101414057 557284714 /nfs/dbraw/zinc/28/47/14/557284714.db2.gz ZIJFMAWJUTWYTB-OAQYLSRUSA-N 0 0 432.524 4.806 50 0 IJAARN CCN1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)C1=O ZINC000101470752 557290480 /nfs/dbraw/zinc/29/04/80/557290480.db2.gz YQVXGCYYKRUORS-HXUWFJFHSA-N 0 0 429.907 4.732 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)c1nnn(-c2cccc(Cl)c2)c1-c1ccncc1 ZINC000049003469 557294624 /nfs/dbraw/zinc/29/46/24/557294624.db2.gz HECQPXDIJASMDL-UHFFFAOYSA-N 0 0 442.281 4.705 50 0 IJAARN O=C(c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023324003 557295737 /nfs/dbraw/zinc/29/57/37/557295737.db2.gz UREHOEALDGKITO-QHCPKHFHSA-N 0 0 435.365 4.997 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000014071205 557297696 /nfs/dbraw/zinc/29/76/96/557297696.db2.gz HQHNXTIUPDREKC-LJQANCHMSA-N 0 0 433.558 4.559 50 0 IJAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1sc2cccc(F)c2c1COC ZINC000014076955 557299400 /nfs/dbraw/zinc/29/94/00/557299400.db2.gz LLDPJGDHAXHMLT-UHFFFAOYSA-N 0 0 448.947 4.619 50 0 IJAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)COc4ccccc4)nn32)cc1 ZINC000101835498 557301960 /nfs/dbraw/zinc/30/19/60/557301960.db2.gz NKBRFQOEJWYDMF-QHCPKHFHSA-N 0 0 437.503 4.660 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c1 ZINC000101880820 557304964 /nfs/dbraw/zinc/30/49/64/557304964.db2.gz WYKRDDMEQQOJSU-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN Cc1ccc(CN(C)c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)o1 ZINC000014141438 557310420 /nfs/dbraw/zinc/31/04/20/557310420.db2.gz WZJSBFFTHSDDDU-UHFFFAOYSA-N 0 0 440.594 4.790 50 0 IJAARN O=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000084563099 557312422 /nfs/dbraw/zinc/31/24/22/557312422.db2.gz SVCGIJCIEWQHIK-UHFFFAOYSA-N 0 0 437.543 4.631 50 0 IJAARN Cc1ccc(-c2nc(SCc3nnc(-c4ccccc4Br)o3)n[nH]2)cc1 ZINC000014166011 557312548 /nfs/dbraw/zinc/31/25/48/557312548.db2.gz YYQCEWSXVIRIJA-UHFFFAOYSA-N 0 0 428.315 4.885 50 0 IJAARN Cc1ccc(C2=NN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)[C@@H](c3ccco3)C2)cc1 ZINC000014199211 557316759 /nfs/dbraw/zinc/31/67/59/557316759.db2.gz KRPONMDDAHIVQW-JOCHJYFZSA-N 0 0 442.471 4.760 50 0 IJAARN O=c1c2ccccc2c2c(O)nc(-c3ccc(Br)cc3)n2n1Cc1ccccc1 ZINC000102361795 557318095 /nfs/dbraw/zinc/31/80/95/557318095.db2.gz KSBRGHCJKTVMQW-UHFFFAOYSA-N 0 0 446.304 4.833 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032949441 557320309 /nfs/dbraw/zinc/32/03/09/557320309.db2.gz YJAPJVDEANYNIR-KRWDZBQOSA-N 0 0 446.878 4.541 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Nc3ccccc3Br)cc12 ZINC000032953859 557320593 /nfs/dbraw/zinc/32/05/93/557320593.db2.gz VPBVUAVOOSNICX-UHFFFAOYSA-N 0 0 441.329 4.786 50 0 IJAARN O=C(CSc1ncnc2c3cc(Br)ccc3[nH]c21)Nc1cccc(F)c1 ZINC000033298699 557330691 /nfs/dbraw/zinc/33/06/91/557330691.db2.gz AMWJWWSNRBOUEK-UHFFFAOYSA-N 0 0 431.290 4.744 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000033313169 557332612 /nfs/dbraw/zinc/33/26/12/557332612.db2.gz FOIPDOWFAZBEIZ-UHFFFAOYSA-N 0 0 430.552 4.851 50 0 IJAARN CC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)NCc3ccccc3)c1)C(=O)CO2 ZINC000033452214 557335529 /nfs/dbraw/zinc/33/55/29/557335529.db2.gz SNZNXHIJZRGHMK-UHFFFAOYSA-N 0 0 428.532 4.840 50 0 IJAARN CC(=O)Nc1cccc(O[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000836596 557336280 /nfs/dbraw/zinc/33/62/80/557336280.db2.gz CADABTFMNRRMQO-ZGKFYVQTSA-N 0 0 427.715 4.550 50 0 IJAARN CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(Br)cc1F ZINC000072318869 557339385 /nfs/dbraw/zinc/33/93/85/557339385.db2.gz IKHWMHDBXXITNJ-UHFFFAOYSA-N 0 0 426.760 4.655 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000102529612 557340478 /nfs/dbraw/zinc/34/04/78/557340478.db2.gz OLVLFWFYXSAMAT-UHFFFAOYSA-N 0 0 431.923 4.822 50 0 IJAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(C)cc2)CC1=O ZINC000102529481 557340507 /nfs/dbraw/zinc/34/05/07/557340507.db2.gz JXPALIGWZVNEKZ-UHFFFAOYSA-N 0 0 427.504 4.890 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)C2)cc1 ZINC000102530839 557342862 /nfs/dbraw/zinc/34/28/62/557342862.db2.gz ZNLBVTVSAUFAMG-UHFFFAOYSA-N 0 0 439.515 4.948 50 0 IJAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000014611155 557345368 /nfs/dbraw/zinc/34/53/68/557345368.db2.gz ZPZUEDQKACHTRQ-UHFFFAOYSA-N 0 0 436.537 4.819 50 0 IJAARN O=C(c1cc(F)c(F)cc1F)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023333171 557346900 /nfs/dbraw/zinc/34/69/00/557346900.db2.gz MEZUTRDEGAMTHY-QHCPKHFHSA-N 0 0 428.429 4.790 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCc3ccccc32)n1C(C)C ZINC000013568868 557347464 /nfs/dbraw/zinc/34/74/64/557347464.db2.gz TZBUNDNCCXBGGN-UHFFFAOYSA-N 0 0 436.581 4.736 50 0 IJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000023334671 557349790 /nfs/dbraw/zinc/34/97/90/557349790.db2.gz UOABSVYBIOSVRH-LBPRGKRZSA-N 0 0 445.313 4.921 50 0 IJAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4ccccc4OC(F)(F)F)CC3)c2c1 ZINC000023335136 557349934 /nfs/dbraw/zinc/34/99/34/557349934.db2.gz AFEJOHBBAUCSLU-UHFFFAOYSA-N 0 0 438.471 4.943 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000023428146 557354027 /nfs/dbraw/zinc/35/40/27/557354027.db2.gz WQGJKSAKMZTDCL-XMMPIXPASA-N 0 0 440.996 4.744 50 0 IJAARN CCOC(=O)c1cnc(-c2ccc(OC)c(OC)c2)nc1N(Cc1ccccc1)C(C)C ZINC000023437017 557354216 /nfs/dbraw/zinc/35/42/16/557354216.db2.gz IMYHQTXHMYKXRJ-UHFFFAOYSA-N 0 0 435.524 4.753 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(-c3n[nH]c4c3COc3ccccc3-4)cc2)cc1 ZINC000023448710 557356368 /nfs/dbraw/zinc/35/63/68/557356368.db2.gz SHIKPZMYXQVKIR-UHFFFAOYSA-N 0 0 425.488 4.617 50 0 IJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(OC)c(OC)c4)cc3)n[nH]2)c1 ZINC000023451711 557357356 /nfs/dbraw/zinc/35/73/56/557357356.db2.gz YNSFOUZGPLZSFX-UHFFFAOYSA-N 0 0 443.503 4.700 50 0 IJAARN Cc1ccc(F)cc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023458762 557359776 /nfs/dbraw/zinc/35/97/76/557359776.db2.gz UOCBHFXYPJWEED-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102669745 557362795 /nfs/dbraw/zinc/36/27/95/557362795.db2.gz JEJYFVLRXKTNRC-MHECFPHRSA-N 0 0 430.508 4.977 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)N(C)c4ccc(F)cc4)nccn3n2)cc1 ZINC000072328564 557365428 /nfs/dbraw/zinc/36/54/28/557365428.db2.gz FYPQYRHZWCSDQJ-UHFFFAOYSA-N 0 0 436.512 4.689 50 0 IJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000023572665 557366877 /nfs/dbraw/zinc/36/68/77/557366877.db2.gz NNBAKFKOGGFHBL-UHFFFAOYSA-N 0 0 445.386 4.727 50 0 IJAARN COc1ccccc1N1C(=O)c2ccccc2/C(=C/NCCc2c[nH]c3ccccc23)C1=O ZINC000102728880 557370935 /nfs/dbraw/zinc/37/09/35/557370935.db2.gz PXIVABUFGPGKPW-XLNRJJMWSA-N 0 0 437.499 4.537 50 0 IJAARN COc1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000102736069 557373297 /nfs/dbraw/zinc/37/32/97/557373297.db2.gz LBRWZPVCECDHRK-DNVJHFABSA-N 0 0 448.906 4.708 50 0 IJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c(OC)c1 ZINC000102736146 557373752 /nfs/dbraw/zinc/37/37/52/557373752.db2.gz HEFZQNHGJHJKDW-ASSNKEHSSA-N 0 0 436.443 4.855 50 0 IJAARN CCOc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102739547 557380549 /nfs/dbraw/zinc/38/05/49/557380549.db2.gz BVWGGNMNALAHCY-DNVJHFABSA-N 0 0 448.906 4.790 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102757518 557384333 /nfs/dbraw/zinc/38/43/33/557384333.db2.gz KGRDTHKAUXVLSN-UBFVSLLYSA-N 0 0 442.515 4.917 50 0 IJAARN O=C(c1ccc(-c2c(Cl)cccc2Cl)o1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000011692844 557389818 /nfs/dbraw/zinc/38/98/18/557389818.db2.gz QWTGVZIUYAGKCK-KGLIPLIRSA-N 0 0 429.303 4.675 50 0 biogenic IJAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000011693311 557390892 /nfs/dbraw/zinc/39/08/92/557390892.db2.gz WGLCRZDXGUOSAD-UHFFFAOYSA-N 0 0 432.307 4.645 50 0 IJAARN CCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 ZINC000011693801 557391896 /nfs/dbraw/zinc/39/18/96/557391896.db2.gz GLYUEKUGWIYFKM-UHFFFAOYSA-N 0 0 440.550 4.782 50 0 IJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1OC ZINC000102835092 557394357 /nfs/dbraw/zinc/39/43/57/557394357.db2.gz OLDGUXXTAJSRNM-XCLFUZPHSA-N 0 0 436.443 4.855 50 0 IJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000013845014 557395234 /nfs/dbraw/zinc/39/52/34/557395234.db2.gz UMBHYKSFEGRWFT-DYESRHJHSA-N 0 0 442.629 4.543 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)C(Cl)(Cl)Cl ZINC000103184536 557425624 /nfs/dbraw/zinc/42/56/24/557425624.db2.gz LYNZNFUZCVUVBU-IONOHQLYSA-N 0 0 447.510 4.876 50 0 IJAARN O[C@H](COc1ccccc1)Cn1c2ccccc2s/c1=N\c1nc2ccccc2s1 ZINC000103550992 557438956 /nfs/dbraw/zinc/43/89/56/557438956.db2.gz AMORRMAYMDZECG-LDWQWDCMSA-N 0 0 433.558 4.985 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014785184 557450082 /nfs/dbraw/zinc/45/00/82/557450082.db2.gz DLMAWBHNJFFJHT-UHFFFAOYSA-N 0 0 439.712 4.733 50 0 IJAARN O=C(Nc1cc(F)c(F)c(F)c1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097087879 557453399 /nfs/dbraw/zinc/45/33/99/557453399.db2.gz DORGCRARVCDWHP-CYBMUJFWSA-N 0 0 427.386 4.588 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[nH]cc-3c2=O)cc1C ZINC000101282136 557456241 /nfs/dbraw/zinc/45/62/41/557456241.db2.gz JNDLTGDYYUSFJL-UHFFFAOYSA-N 0 0 440.478 4.505 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)C(N2CCOCC2)=Nc2ccccc2O3)cc1 ZINC000103132807 557458673 /nfs/dbraw/zinc/45/86/73/557458673.db2.gz HIJHSNNDZZUSKV-UHFFFAOYSA-N 0 0 444.491 4.855 50 0 IJAARN COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000102987903 557458704 /nfs/dbraw/zinc/45/87/04/557458704.db2.gz NUVMBBGVVOIKFU-USXZWKKNSA-N 0 0 439.511 4.947 50 0 IJAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000015980599 557468603 /nfs/dbraw/zinc/46/86/03/557468603.db2.gz BVMPCSXJTDKDRX-UHFFFAOYSA-N 0 0 447.192 4.811 50 0 IJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000106022236 557512756 /nfs/dbraw/zinc/51/27/56/557512756.db2.gz SWFYXSGFPPOEFB-CGYQNGNCSA-N 0 0 440.927 4.916 50 0 IJAARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000020027291 557514581 /nfs/dbraw/zinc/51/45/81/557514581.db2.gz RVEJJHGZVWUNLM-HNNXBMFYSA-N 0 0 436.564 4.665 50 0 IJAARN CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(N2CCCCC2)cc1 ZINC000012082534 557527648 /nfs/dbraw/zinc/52/76/48/557527648.db2.gz QBKANDVDTQCADQ-UHFFFAOYSA-N 0 0 433.508 4.932 50 0 IJAARN O=C(c1ccc(Br)o1)N1N=C(c2ccco2)C[C@H]1c1ccc2nccnc2c1 ZINC000044894103 557540166 /nfs/dbraw/zinc/54/01/66/557540166.db2.gz SKHNSIABACEABZ-INIZCTEOSA-N 0 0 437.253 4.570 50 0 IJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)ccn3n2)cc1 ZINC000045921735 557547509 /nfs/dbraw/zinc/54/75/09/557547509.db2.gz HTTGUCJJSJVGPM-UHFFFAOYSA-N 0 0 444.535 4.597 50 0 IJAARN Cn1c2cc(NC(=O)c3cccs3)c(Sc3ccccc3Cl)cc2n(C)c1=O ZINC000045940879 557549370 /nfs/dbraw/zinc/54/93/70/557549370.db2.gz CGIHFNZAERWOQA-UHFFFAOYSA-N 0 0 429.954 4.995 50 0 IJAARN Cc1ccc(-c2c3cnc4ccccc4c3sc2C(=O)NCCN2CCOCC2)cc1C ZINC000045943855 557552587 /nfs/dbraw/zinc/55/25/87/557552587.db2.gz WRYBUEWXDDJECJ-UHFFFAOYSA-N 0 0 445.588 4.795 50 0 IJAARN COc1cccc(CNC(=O)[C@H](C)Sc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000045943406 557552643 /nfs/dbraw/zinc/55/26/43/557552643.db2.gz KGHBBWHXSQWVME-ZDUSSCGKSA-N 0 0 447.354 4.910 50 0 IJAARN O=C(NCCCN1CCCC1=O)c1sc2c(cnc3ccc(F)cc23)c1-c1ccccc1 ZINC000045943908 557552649 /nfs/dbraw/zinc/55/26/49/557552649.db2.gz GQMZAIWYGDGIKS-UHFFFAOYSA-N 0 0 447.535 4.998 50 0 IJAARN CCCCSc1cc2c(cc1NC(=O)c1ccc(OCCC)cc1)n(C)c(=O)n2C ZINC000045960895 557554876 /nfs/dbraw/zinc/55/48/76/557554876.db2.gz FOMACRHJIOZKBN-UHFFFAOYSA-N 0 0 427.570 4.810 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000045961999 557557009 /nfs/dbraw/zinc/55/70/09/557557009.db2.gz VGQJLKZJLSNVKJ-UHFFFAOYSA-N 0 0 426.538 4.955 50 0 IJAARN COc1ccc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2c1 ZINC000040058193 557687127 /nfs/dbraw/zinc/68/71/27/557687127.db2.gz OVNQQACNGVMJEB-UHFFFAOYSA-N 0 0 436.390 4.901 50 0 IJAARN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000225407839 557719359 /nfs/dbraw/zinc/71/93/59/557719359.db2.gz LTQYAJOUISOBGQ-FFUKXMTKSA-N 0 0 435.474 4.699 50 0 IJAARN Cc1oc(-c2ccsc2)nc1CC(=O)NCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000225448262 557724122 /nfs/dbraw/zinc/72/41/22/557724122.db2.gz NYMXAECXXVKESD-KRWDZBQOSA-N 0 0 425.337 4.801 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)NCC[C@@H](O)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000225448525 557724223 /nfs/dbraw/zinc/72/42/23/557724223.db2.gz HRCQPHRVXOMJPE-GOSISDBHSA-N 0 0 434.323 4.524 50 0 IJAARN COc1cc(OC)cc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000225495099 557730049 /nfs/dbraw/zinc/73/00/49/557730049.db2.gz UKQUZXHTAUIXPB-DEOSSOPVSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@@H]2c2cnc3ccccc3n2)cc1 ZINC000225505956 557731473 /nfs/dbraw/zinc/73/14/73/557731473.db2.gz KPBMTKIBGIQWJO-OAQYLSRUSA-N 0 0 434.546 4.540 50 0 IJAARN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000225526625 557736468 /nfs/dbraw/zinc/73/64/68/557736468.db2.gz RNROHKVHVHZSLK-SFHVURJKSA-N 0 0 434.405 4.942 50 0 IJAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000225540039 557738819 /nfs/dbraw/zinc/73/88/19/557738819.db2.gz LMVYURKQRRGIQA-UHFFFAOYSA-N 0 0 437.005 4.681 50 0 IJAARN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)n1 ZINC000225565715 557743206 /nfs/dbraw/zinc/74/32/06/557743206.db2.gz ZKAQXYSQOUJKAQ-OAHLLOKOSA-N 0 0 429.492 4.712 50 0 IJAARN Brc1cnc(Br)c(N2CC[C@H](COCc3ccccc3)C2)c1 ZINC000225821276 557781131 /nfs/dbraw/zinc/78/11/31/557781131.db2.gz CBUZJNVJNJWMRG-AWEZNQCLSA-N 0 0 426.152 4.650 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000229811807 557833283 /nfs/dbraw/zinc/83/32/83/557833283.db2.gz IZMPDZQEDANOIS-RQBNJVACSA-N 0 0 447.579 4.744 50 0 IJAARN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)cnc2Br)c1Cl ZINC000239366980 557844294 /nfs/dbraw/zinc/84/42/94/557844294.db2.gz AHCZGHWDWAKJOL-UHFFFAOYSA-N 0 0 430.538 4.914 50 0 IJAARN O=C(CN1CCCCC1)Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1 ZINC000239869293 557845190 /nfs/dbraw/zinc/84/51/90/557845190.db2.gz CXZOKHSJALISFB-UHFFFAOYSA-N 0 0 435.749 4.758 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000000877974 557848610 /nfs/dbraw/zinc/84/86/10/557848610.db2.gz VHUNRKQDUCHHMF-UHFFFAOYSA-N 0 0 442.544 4.927 50 0 IJAARN Brc1cc(Br)c2c(c1)C=C1CCCCC[C@@]1(N1CCOCC1)O2 ZINC000019831106 560094207 /nfs/dbraw/zinc/09/42/07/560094207.db2.gz FTHMZHFJXZDJCX-GOSISDBHSA-N 0 0 443.179 4.980 50 0 biogenic,in-vitro IJAARN COCCOC(=O)c1c(C)n(CCOc2cccc(OC)c2)c2c1cc(O)c1ccccc21 ZINC000008783008 560210867 /nfs/dbraw/zinc/21/08/67/560210867.db2.gz KAYOIRVMBZICNK-UHFFFAOYSA-N 0 0 449.503 4.699 50 0 biogenic,in-vitro IJAARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc(-c3ccccc3)nn21 ZINC000000956249 562919812 /nfs/dbraw/zinc/91/98/12/562919812.db2.gz QVJCZONGLWIEQY-QHCPKHFHSA-N 0 0 437.503 4.881 50 0 IJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(SC3=NCCS3)n2)cc1 ZINC000001261536 562921013 /nfs/dbraw/zinc/92/10/13/562921013.db2.gz QOJBVOYDCRWQPN-UHFFFAOYSA-N 0 0 440.554 4.571 50 0 aggregator IJAARN CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)n1 ZINC000001431310 562921878 /nfs/dbraw/zinc/92/18/78/562921878.db2.gz GRKXFYUMSPOKCK-UHFFFAOYSA-N 0 0 429.807 4.854 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c(C)c1 ZINC000001784951 562924640 /nfs/dbraw/zinc/92/46/40/562924640.db2.gz NWNPQCQQUIQTQQ-MRXNPFEDSA-N 0 0 438.597 4.568 50 0 IJAARN O=S(=O)(Nc1ccc(Br)cc1F)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000002467994 562928108 /nfs/dbraw/zinc/92/81/08/562928108.db2.gz UNPWARGMHVSBKC-UHFFFAOYSA-N 0 0 446.301 4.932 50 0 aggregator IJAARN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2s1 ZINC000002632498 562928853 /nfs/dbraw/zinc/92/88/53/562928853.db2.gz JTQPNHLBFHFLIB-UHFFFAOYSA-N 0 0 437.546 4.682 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)c(C)n1C ZINC000002660723 562929626 /nfs/dbraw/zinc/92/96/26/562929626.db2.gz IJIJOMIPACAFLX-GOSISDBHSA-N 0 0 444.988 4.708 50 0 IJAARN COc1ccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724529 562930036 /nfs/dbraw/zinc/93/00/36/562930036.db2.gz ZPCBRPSRFWVBOR-XMMPIXPASA-N 0 0 438.886 4.601 50 0 IJAARN Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)no2)cc1 ZINC000002910778 562930487 /nfs/dbraw/zinc/93/04/87/562930487.db2.gz MURNWSPPAVNIDC-IBGZPJMESA-N 0 0 439.581 4.911 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2cccc(C(C)=O)c2)c1C ZINC000002928606 562930610 /nfs/dbraw/zinc/93/06/10/562930610.db2.gz RVPSTLUJRWUVNH-UHFFFAOYSA-N 0 0 448.519 4.880 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)cc1 ZINC000003022535 562931742 /nfs/dbraw/zinc/93/17/42/562931742.db2.gz AWJCTTYJUCZIFN-VWKPWSFCSA-N 0 0 448.560 4.580 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000003023978 562931766 /nfs/dbraw/zinc/93/17/66/562931766.db2.gz RXEUYVTWCRUIEM-ZDUSSCGKSA-N 0 0 444.450 4.660 50 0 IJAARN COc1cccc(-n2c(SCC(=O)c3c[nH]c4ccccc43)nc3ccccc3c2=O)c1 ZINC000003250687 562933322 /nfs/dbraw/zinc/93/33/22/562933322.db2.gz AYOAUIOJGPWVHQ-UHFFFAOYSA-N 0 0 441.512 4.851 50 0 aggregator IJAARN COc1ccc(/C=C/C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1OC ZINC000003582164 562936489 /nfs/dbraw/zinc/93/64/89/562936489.db2.gz ZVESEKVOHXVQQM-OQLLNIDSSA-N 0 0 426.476 4.603 50 0 aggregator,biogenic IJAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccnc2)cc1 ZINC000004142129 562942240 /nfs/dbraw/zinc/94/22/40/562942240.db2.gz RMGDBFVOOVAVQD-NRFANRHFSA-N 0 0 436.309 4.844 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)cc1 ZINC000006811167 562948374 /nfs/dbraw/zinc/94/83/74/562948374.db2.gz DUVMBADAJCHRAV-UHFFFAOYSA-N 0 0 425.554 4.877 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn32)CC1 ZINC000008588767 562950864 /nfs/dbraw/zinc/95/08/64/562950864.db2.gz RAFPCOMEIBYSEY-UHFFFAOYSA-N 0 0 433.533 4.631 50 0 IJAARN COc1ccccc1-n1cc(C(=O)Oc2ccc(Cl)cc2OC)c2ccccc2c1=O ZINC000008591302 562952010 /nfs/dbraw/zinc/95/20/10/562952010.db2.gz IHORRYPOERDUTJ-UHFFFAOYSA-N 0 0 435.863 4.881 50 0 IJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)noc1-2 ZINC000008592961 562952482 /nfs/dbraw/zinc/95/24/82/562952482.db2.gz MAYVRPNHKALAOD-UHFFFAOYSA-N 0 0 442.519 4.871 50 0 IJAARN Cc1ccc(C)c(Nc2nn3c(nc4cc(C(=O)NC5CCCCC5)ccc4c3=O)s2)c1 ZINC000008593117 562952554 /nfs/dbraw/zinc/95/25/54/562952554.db2.gz KRROJLJPOMNDFL-UHFFFAOYSA-N 0 0 447.564 4.727 50 0 IJAARN COc1ccc(CNC(=O)c2cc(Nc3ccc(OC)cc3OC)nc3ccccc32)cc1 ZINC000008595307 562953338 /nfs/dbraw/zinc/95/33/38/562953338.db2.gz YLAMISZOHMEBOI-UHFFFAOYSA-N 0 0 443.503 4.934 50 0 aggregator IJAARN O=C(NC1CC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008596891 562953899 /nfs/dbraw/zinc/95/38/99/562953899.db2.gz OMSYYSAURDDLKM-UHFFFAOYSA-N 0 0 432.524 4.803 50 0 IJAARN COc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc(OC)c1 ZINC000008598646 562954371 /nfs/dbraw/zinc/95/43/71/562954371.db2.gz IDEVEJMAYWISJE-UHFFFAOYSA-N 0 0 428.492 4.876 50 0 aggregator IJAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000008599624 562954781 /nfs/dbraw/zinc/95/47/81/562954781.db2.gz FYFDNYSCSZIGHP-QFIPXVFZSA-N 0 0 435.524 4.502 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 ZINC000008601276 562955258 /nfs/dbraw/zinc/95/52/58/562955258.db2.gz ADZODYJRGXMVJX-OAQYLSRUSA-N 0 0 427.591 4.991 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000008601451 562955362 /nfs/dbraw/zinc/95/53/62/562955362.db2.gz JYWXDRGKPAUGBN-OAHLLOKOSA-N 0 0 445.509 4.773 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000008610117 562958077 /nfs/dbraw/zinc/95/80/77/562958077.db2.gz UCYFYQPSANUEGE-UHFFFAOYSA-N 0 0 436.581 4.887 50 0 IJAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccc(C)cc1)CC(=O)N2Cc1ccccc1 ZINC000008654634 562960280 /nfs/dbraw/zinc/96/02/80/562960280.db2.gz ZATIDHUUECQNLE-HSZRJFAPSA-N 0 0 437.547 4.965 50 0 IJAARN CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 ZINC000008666183 562960419 /nfs/dbraw/zinc/96/04/19/562960419.db2.gz SELHUGVIDVJWPG-UHFFFAOYSA-N 0 0 426.567 4.529 50 0 aggregator IJAARN C[C@H]1CCCCN1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1 ZINC000008670379 562960640 /nfs/dbraw/zinc/96/06/40/562960640.db2.gz YWDBPOCLUIMCRE-NSHDSACASA-N 0 0 448.346 4.587 50 0 aggregator IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)N[C@@H](C)CCc3ccco3)c(C)n2n1 ZINC000008680534 562961580 /nfs/dbraw/zinc/96/15/80/562961580.db2.gz VCINWMGQKDKGHI-KRWDZBQOSA-N 0 0 446.551 4.685 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000008690706 562963213 /nfs/dbraw/zinc/96/32/13/562963213.db2.gz AYDCGXFUTQPEON-NRFANRHFSA-N 0 0 428.579 4.531 50 0 aggregator IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C ZINC000008801760 562964304 /nfs/dbraw/zinc/96/43/04/562964304.db2.gz WDFRZWZVNXEEHH-UHFFFAOYSA-N 0 0 434.518 4.517 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c1 ZINC000008855217 562965182 /nfs/dbraw/zinc/96/51/82/562965182.db2.gz PMZNCHJCXKHXBG-UHFFFAOYSA-N 0 0 440.293 4.950 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000009357369 562969536 /nfs/dbraw/zinc/96/95/36/562969536.db2.gz PHKMKMUYKOELEU-SFHVURJKSA-N 0 0 431.311 4.582 50 0 IJAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(NS(=O)(=O)c4ccc(C)cc4)c3)nn12 ZINC000009453120 562971387 /nfs/dbraw/zinc/97/13/87/562971387.db2.gz DUHVPZITTCDBTI-UHFFFAOYSA-N 0 0 443.532 4.671 50 0 IJAARN FC(F)Oc1ccccc1[C@@H]1C[C@H](c2ccc(Br)s2)Nc2ncnn21 ZINC000013123487 562984712 /nfs/dbraw/zinc/98/47/12/562984712.db2.gz QZZMMQOWOHYVHE-MNOVXSKESA-N 0 0 427.274 4.850 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1C ZINC000015941577 563019540 /nfs/dbraw/zinc/01/95/40/563019540.db2.gz SLIIYKZKTBJQNC-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN COc1ccc(CNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc43)CC2)cc1 ZINC000015962673 563020496 /nfs/dbraw/zinc/02/04/96/563020496.db2.gz PGALQVPLXMPGRI-UHFFFAOYSA-N 0 0 436.581 4.836 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(C)cc2)cc1 ZINC000040451068 563103790 /nfs/dbraw/zinc/10/37/90/563103790.db2.gz ZHZMBXWEBZEJJS-RUZDIDTESA-N 0 0 432.545 4.821 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984017 568622974 /nfs/dbraw/zinc/62/29/74/568622974.db2.gz LOSFQGXQAVDBMR-JWQCQUIFSA-N 0 0 448.538 4.569 50 0 IJAARN CC(C)[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000015026920 568632173 /nfs/dbraw/zinc/63/21/73/568632173.db2.gz LIMMFQRSBLLIAY-QFIPXVFZSA-N 0 0 446.341 4.697 50 0 IJAARN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(Br)cc4)c3)nc12 ZINC000000936129 568638729 /nfs/dbraw/zinc/63/87/29/568638729.db2.gz JHHHMJIPAMAZRV-UHFFFAOYSA-N 0 0 442.338 4.873 50 0 IJAARN O=C(CCSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCCc1ccccc1 ZINC000000937481 568638994 /nfs/dbraw/zinc/63/89/94/568638994.db2.gz FBZWRKZONPDDMM-UHFFFAOYSA-N 0 0 442.997 4.952 50 0 IJAARN COC(=O)c1cc(OC)cc(OC)c1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000025147459 568640897 /nfs/dbraw/zinc/64/08/97/568640897.db2.gz UFVOITDBXHHTLJ-UHFFFAOYSA-N 0 0 433.416 4.694 50 0 IJAARN O=C(COc1ccc(Br)cc1Br)NCc1ccccc1Cl ZINC000000945311 568643338 /nfs/dbraw/zinc/64/33/38/568643338.db2.gz WGUYVEMJEJIKJN-UHFFFAOYSA-N 0 0 433.527 4.560 50 0 IJAARN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253610382 568644107 /nfs/dbraw/zinc/64/41/07/568644107.db2.gz NTIXPPFPXLYJCT-XUBJCHELSA-N 0 0 436.677 4.525 50 0 IJAARN O=C(NCc1ccccn1)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000025159305 568645633 /nfs/dbraw/zinc/64/56/33/568645633.db2.gz LRGVJCAKEOBTHC-UHFFFAOYSA-N 0 0 425.517 4.533 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960036 568646447 /nfs/dbraw/zinc/64/64/47/568646447.db2.gz OAKWTGIONVUUEC-UHFFFAOYSA-N 0 0 449.869 4.509 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1)C1CCCC1 ZINC000001006454 568650531 /nfs/dbraw/zinc/65/05/31/568650531.db2.gz IPTURKOGLJLCOZ-UHFFFAOYSA-N 0 0 440.565 4.777 50 0 IJAARN Cc1ccc(NC(=O)CCn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1C ZINC000001012758 568651878 /nfs/dbraw/zinc/65/18/78/568651878.db2.gz FCTSUYLGCRTPMI-UHFFFAOYSA-N 0 0 445.498 4.704 50 0 IJAARN CCOc1ccc(CC(=O)Nc2c3cc(Cl)ccc3oc2C(=O)OC)cc1OCC ZINC000001050065 568654262 /nfs/dbraw/zinc/65/42/62/568654262.db2.gz CMPKDTIJTOVMFK-UHFFFAOYSA-N 0 0 431.872 4.851 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2)c1ccccc1 ZINC000001090259 568658649 /nfs/dbraw/zinc/65/86/49/568658649.db2.gz NOEJEWYBMDBOOT-UHFFFAOYSA-N 0 0 438.277 4.704 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(Br)cc1 ZINC000001116312 568659819 /nfs/dbraw/zinc/65/98/19/568659819.db2.gz UYEWITSQYPDSGV-JXMROGBWSA-N 0 0 436.327 4.850 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cc1 ZINC000001117202 568659922 /nfs/dbraw/zinc/65/99/22/568659922.db2.gz YWXAYPCCJCTCFA-UHFFFAOYSA-N 0 0 442.515 4.900 50 0 IJAARN COc1cc(-c2nnc(SCc3ccc(Br)cc3)o2)cc(OC)c1OC ZINC000001102708 568660403 /nfs/dbraw/zinc/66/04/03/568660403.db2.gz RXLXUQNMRNCDGU-UHFFFAOYSA-N 0 0 437.315 4.817 50 0 IJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3OC)cc21 ZINC000001160084 568664090 /nfs/dbraw/zinc/66/40/90/568664090.db2.gz WZDDEAGDBNQGKP-UHFFFAOYSA-N 0 0 433.254 4.908 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC=C5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000257357535 568731584 /nfs/dbraw/zinc/73/15/84/568731584.db2.gz ORXKASWXOVPKDV-ASTLTYRUSA-N 0 0 430.629 4.685 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 ZINC000001195752 568736686 /nfs/dbraw/zinc/73/66/86/568736686.db2.gz UJHZRTNOKDYPQU-ZCOIRKDISA-N 0 0 441.914 4.788 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000001215202 568739701 /nfs/dbraw/zinc/73/97/01/568739701.db2.gz AOKRQZLDJMOVIE-AZUAARDMSA-N 0 0 444.457 4.525 50 0 IJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000031587600 568740675 /nfs/dbraw/zinc/74/06/75/568740675.db2.gz KXWWFDBAYTZBJM-SFHVURJKSA-N 0 0 438.453 4.850 50 0 IJAARN O=C1C(=O)N(OCc2ccc(Cl)cc2)[C@@H]2CCCC[C@H]2N1OCc1ccc(Cl)cc1 ZINC000001813346 568741201 /nfs/dbraw/zinc/74/12/01/568741201.db2.gz HLDVEGQHXFBFIU-WOJBJXKFSA-N 0 0 449.334 4.539 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)c(OC)c1)C[C@@H](C(C)(C)C)CC2 ZINC000001945719 568742395 /nfs/dbraw/zinc/74/23/95/568742395.db2.gz WMBTTYMOEMVAAI-AWEZNQCLSA-N 0 0 431.554 4.955 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270153 568744610 /nfs/dbraw/zinc/74/46/10/568744610.db2.gz IZXIRXPIWRVFSV-UHFFFAOYSA-N 0 0 449.212 4.552 50 0 IJAARN CCC(CC)NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 ZINC000003280132 568744825 /nfs/dbraw/zinc/74/48/25/568744825.db2.gz IBWUENKDYXSCAH-UHFFFAOYSA-N 0 0 429.973 4.744 50 0 IJAARN CCOc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC ZINC000003291074 568745335 /nfs/dbraw/zinc/74/53/35/568745335.db2.gz GZDSDHYOBNUJSM-UHFFFAOYSA-N 0 0 445.821 4.952 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003352445 568746867 /nfs/dbraw/zinc/74/68/67/568746867.db2.gz ZXBBQGZXWJSSPX-UHFFFAOYSA-N 0 0 432.973 4.544 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000003372474 568748189 /nfs/dbraw/zinc/74/81/89/568748189.db2.gz MEUUACINEIYTEV-UHFFFAOYSA-N 0 0 443.887 4.561 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000003384733 568748284 /nfs/dbraw/zinc/74/82/84/568748284.db2.gz NPVOVGIGPQEZRK-HXUWFJFHSA-N 0 0 436.581 4.717 50 0 IJAARN Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000003388845 568748299 /nfs/dbraw/zinc/74/82/99/568748299.db2.gz BFFPBNLOKJZXER-UHFFFAOYSA-N 0 0 428.941 4.721 50 0 IJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCc4ccccc4C3)c3ccccc3n2)o1 ZINC000003455359 568749833 /nfs/dbraw/zinc/74/98/33/568749833.db2.gz VBQYJKJAJAMYTK-UHFFFAOYSA-N 0 0 426.472 4.545 50 0 IJAARN CSc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3S[C@H](C)C(=O)N32)cc1 ZINC000003636677 568752124 /nfs/dbraw/zinc/75/21/24/568752124.db2.gz WKEGHPPADQSAQE-QRWLVFNGSA-N 0 0 438.574 4.801 50 0 IJAARN O=C(c1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000299802425 568758139 /nfs/dbraw/zinc/75/81/39/568758139.db2.gz ZRYNILSOCBHGFJ-XRODADMRSA-N 0 0 441.575 4.741 50 0 IJAARN Cn1ccc2ccc(NC(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)cc21 ZINC000263586634 568759249 /nfs/dbraw/zinc/75/92/49/568759249.db2.gz WHKUZYGGPDBLEF-NRFANRHFSA-N 0 0 446.551 4.745 50 0 biogenic IJAARN CCOc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OCC)c1OCC ZINC000005441668 568774382 /nfs/dbraw/zinc/77/43/82/568774382.db2.gz MBJCWEQIOXFOHJ-UHFFFAOYSA-N 0 0 426.513 4.652 50 0 IJAARN O=C1C(Cl)=C(N2CCc3ccccc3C2)C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000001276518 568775834 /nfs/dbraw/zinc/77/58/34/568775834.db2.gz OAJSZURXHCVHAG-UHFFFAOYSA-N 0 0 441.236 4.741 50 0 IJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1 ZINC000263618962 568777851 /nfs/dbraw/zinc/77/78/51/568777851.db2.gz WGXYNWCPIMFUKY-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 ZINC000001302127 568779039 /nfs/dbraw/zinc/77/90/39/568779039.db2.gz RAKONFIEYOWGRQ-AREMUKBSSA-N 0 0 448.588 4.838 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(F)cc1 ZINC000001320601 568779825 /nfs/dbraw/zinc/77/98/25/568779825.db2.gz BDTLTPVDYRCJFJ-QHCPKHFHSA-N 0 0 427.834 4.626 50 0 IJAARN CCOC(=O)COc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001321729 568780084 /nfs/dbraw/zinc/78/00/84/568780084.db2.gz DPETWGOBJFRREG-UHFFFAOYSA-N 0 0 430.456 4.981 50 0 biogenic IJAARN CCc1cc(=O)n2nc(N(C)C(Cc3ccc(C)cc3)Cc3ccc(C)cc3)sc2n1 ZINC000083820263 568782594 /nfs/dbraw/zinc/78/25/94/568782594.db2.gz LPQCIILOERQYOV-UHFFFAOYSA-N 0 0 432.593 4.620 50 0 IJAARN COc1ccc(C(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1-c1ccccc1 ZINC000083859029 568783631 /nfs/dbraw/zinc/78/36/31/568783631.db2.gz NIESZAJSJCMBCI-QFIPXVFZSA-N 0 0 436.577 4.569 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 ZINC000001387677 568784728 /nfs/dbraw/zinc/78/47/28/568784728.db2.gz LADWNMUJCIYPFJ-HSZRJFAPSA-N 0 0 429.545 4.697 50 0 IJAARN Cn1c(C(=O)NCc2cccs2)cnc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000001388842 568784856 /nfs/dbraw/zinc/78/48/56/568784856.db2.gz KKZWKHNAFGRURF-UHFFFAOYSA-N 0 0 432.880 4.630 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 ZINC000001407923 568787301 /nfs/dbraw/zinc/78/73/01/568787301.db2.gz KQKIOEMMNMQZGY-ATIYNZHBSA-N 0 0 425.488 4.606 50 0 IJAARN COc1ccc(NC(=S)NCCc2c(C)[nH]c3c2cc(F)cc3Br)cc1 ZINC000001410392 568787904 /nfs/dbraw/zinc/78/79/04/568787904.db2.gz WNXOGYWWXQVWBC-UHFFFAOYSA-N 0 0 436.350 4.916 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000001422933 568793352 /nfs/dbraw/zinc/79/33/52/568793352.db2.gz KCHFHEFPSKRHGN-UHFFFAOYSA-N 0 0 427.287 4.916 50 0 IJAARN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000084405328 568797796 /nfs/dbraw/zinc/79/77/96/568797796.db2.gz IUQSHRDIQKHRPX-QZTJIDSGSA-N 0 0 433.335 4.680 50 0 IJAARN O=C(Nc1ccccc1SC1CCCC1)c1cnc2ccc(Br)cn2c1=O ZINC000084506865 568798331 /nfs/dbraw/zinc/79/83/31/568798331.db2.gz NVXNELZZXGWCTO-UHFFFAOYSA-N 0 0 444.354 4.744 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCO[C@H](c2ccccc2)C1 ZINC000084525611 568798378 /nfs/dbraw/zinc/79/83/78/568798378.db2.gz CAHDLLOGHAZPCY-FQEVSTJZSA-N 0 0 438.325 4.674 50 0 IJAARN O=C(Nc1cccc(C2SCCCS2)c1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000084579004 568798831 /nfs/dbraw/zinc/79/88/31/568798831.db2.gz AYNNDRBFPHBAKF-QGZVFWFLSA-N 0 0 430.620 4.847 50 0 IJAARN O=C(NCc1sccc1Br)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000084603581 568799225 /nfs/dbraw/zinc/79/92/25/568799225.db2.gz PMXNNKRCTHQYLO-GFCCVEGCSA-N 0 0 436.400 4.653 50 0 IJAARN CC(C)CCN1C(=O)c2cc(-c3ccco3)nn2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676111 568803969 /nfs/dbraw/zinc/80/39/69/568803969.db2.gz OAIVZMUQKMITNZ-VWLOTQADSA-N 0 0 440.588 4.633 50 0 IJAARN O=C(NC1CCCCCCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000015678039 568804965 /nfs/dbraw/zinc/80/49/65/568804965.db2.gz YHJHKEALEVCSAW-UHFFFAOYSA-N 0 0 428.536 4.540 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 ZINC000015679458 568805142 /nfs/dbraw/zinc/80/51/42/568805142.db2.gz GLZJEWCACSPWCF-UHFFFAOYSA-N 0 0 435.528 4.760 50 0 IJAARN CCOc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000015681425 568806692 /nfs/dbraw/zinc/80/66/92/568806692.db2.gz WDQMVHSMAUODOJ-UHFFFAOYSA-N 0 0 428.536 4.651 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733351 568815620 /nfs/dbraw/zinc/81/56/20/568815620.db2.gz UVBDGXNBLRFWIA-UHFFFAOYSA-N 0 0 443.459 4.598 50 0 IJAARN COc1cc(CNc2onc(C)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000085391955 568816685 /nfs/dbraw/zinc/81/66/85/568816685.db2.gz DSHYXWAHUIWUCJ-UHFFFAOYSA-N 0 0 435.402 4.883 50 0 IJAARN Cc1nn(CC(=O)NCc2ccc(C)cc2)c(C)c1Cc1nc(-c2ccccc2C)oc1C ZINC000015775125 568823287 /nfs/dbraw/zinc/82/32/87/568823287.db2.gz HSCNAVOEAVSMNU-UHFFFAOYSA-N 0 0 442.563 4.987 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000015781690 568826007 /nfs/dbraw/zinc/82/60/07/568826007.db2.gz WVMIARGLXFZMOL-OAQYLSRUSA-N 0 0 440.540 4.795 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccccc1CC)CC2 ZINC000015781718 568826204 /nfs/dbraw/zinc/82/62/04/568826204.db2.gz ZHJWMJOLPBCTDK-OAQYLSRUSA-N 0 0 440.540 4.741 50 0 IJAARN Cc1[nH]c(C(=O)Nc2cccc3ccccc32)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000085598285 568827233 /nfs/dbraw/zinc/82/72/33/568827233.db2.gz XSTVCQRBOUBSMR-UHFFFAOYSA-N 0 0 425.554 4.602 50 0 IJAARN Cc1cccc(COc2ccc(=O)n(-c3ccc(C(=O)Nc4ccc(F)c(F)c4)cc3)n2)c1 ZINC000085609833 568828145 /nfs/dbraw/zinc/82/81/45/568828145.db2.gz DDEJDWADZZBIDR-UHFFFAOYSA-N 0 0 447.441 4.650 50 0 IJAARN COc1ccccc1CCNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000015785224 568830066 /nfs/dbraw/zinc/83/00/66/568830066.db2.gz FGIZJIYFXAAXOU-UHFFFAOYSA-N 0 0 425.941 4.626 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1Cl ZINC000085649284 568830768 /nfs/dbraw/zinc/83/07/68/568830768.db2.gz MZAZUJPOLXVXSA-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN Cc1ccc(-c2nccc(Nc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)n2)cc1 ZINC000085649673 568831058 /nfs/dbraw/zinc/83/10/58/568831058.db2.gz BSWAXVWFHVHDHJ-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN CC(C)C(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccccc4)ccc3[nH]2)cc1 ZINC000085653800 568832371 /nfs/dbraw/zinc/83/23/71/568832371.db2.gz FNBDHGIYUHNDLZ-UHFFFAOYSA-N 0 0 440.547 4.873 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(C)c2)c1C ZINC000085711247 568835045 /nfs/dbraw/zinc/83/50/45/568835045.db2.gz DIZWQYCWLZTYEA-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)[C@@H](C)Oc2ccccc2)C2CCCCC2)c1C ZINC000085711406 568835188 /nfs/dbraw/zinc/83/51/88/568835188.db2.gz MCWGTLKMLWAUAU-LJQANCHMSA-N 0 0 426.557 4.937 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)sc2nc(-c3ccccc3)cn12 ZINC000015786507 568836166 /nfs/dbraw/zinc/83/61/66/568836166.db2.gz SVXXZIUJNBAUAG-UHFFFAOYSA-N 0 0 436.968 4.987 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)c4ccccc4[nH]3)cc2)cc1C ZINC000015787083 568836496 /nfs/dbraw/zinc/83/64/96/568836496.db2.gz KZHLSOVDLITPOI-UHFFFAOYSA-N 0 0 428.488 4.741 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccccc4F)CC3)s2)cc1 ZINC000015827974 568841027 /nfs/dbraw/zinc/84/10/27/568841027.db2.gz LVJRUSLCVFMJHV-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CCc1cccc(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000015829522 568841471 /nfs/dbraw/zinc/84/14/71/568841471.db2.gz HAYYHCYNZJJLFS-UHFFFAOYSA-N 0 0 428.460 4.863 50 0 IJAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000006134570 568845017 /nfs/dbraw/zinc/84/50/17/568845017.db2.gz IAUHLXXJUZNUHR-LJQANCHMSA-N 0 0 433.537 4.711 50 0 IJAARN CC(=O)c1ccc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000006150490 568846953 /nfs/dbraw/zinc/84/69/53/568846953.db2.gz BOGMRDIJDVIXEM-UHFFFAOYSA-N 0 0 449.514 4.597 50 0 IJAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000015860617 568847897 /nfs/dbraw/zinc/84/78/97/568847897.db2.gz WZBHJHFEFSTNMJ-UHFFFAOYSA-N 0 0 444.560 4.956 50 0 IJAARN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)c1 ZINC000015863265 568849065 /nfs/dbraw/zinc/84/90/65/568849065.db2.gz KQEWIWBNFCWKBE-UHFFFAOYSA-N 0 0 445.567 4.654 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cc(F)ccc3F)nc12 ZINC000015865416 568850100 /nfs/dbraw/zinc/85/01/00/568850100.db2.gz VCMXANHBIWZFHW-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4cc(Cl)ccc4[nH]3)n2C)c1C ZINC000015865339 568850130 /nfs/dbraw/zinc/85/01/30/568850130.db2.gz VPXBEYZUMSWFJE-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccccc2F)cc1 ZINC000015864816 568850297 /nfs/dbraw/zinc/85/02/97/568850297.db2.gz RJMFFTQSWPGLDA-UHFFFAOYSA-N 0 0 448.523 4.853 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(C)c(F)c3)cc(=O)n2c1 ZINC000015865497 568850753 /nfs/dbraw/zinc/85/07/53/568850753.db2.gz SHIQLHGRLOXARX-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000015870712 568852212 /nfs/dbraw/zinc/85/22/12/568852212.db2.gz BSCZWNDIMKUFDQ-UHFFFAOYSA-N 0 0 435.549 4.856 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(Cl)cc1 ZINC000015880730 568854244 /nfs/dbraw/zinc/85/42/44/568854244.db2.gz LXGLTMPKGQFKGN-UHFFFAOYSA-N 0 0 449.363 4.995 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1C ZINC000015882191 568856827 /nfs/dbraw/zinc/85/68/27/568856827.db2.gz HVDSBSSPXDJQNR-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN Cc1cc(C)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000015913071 568858660 /nfs/dbraw/zinc/85/86/60/568858660.db2.gz REFVKNVIGVHIIV-LJQANCHMSA-N 0 0 444.398 4.806 50 0 IJAARN CN(C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1 ZINC000015912830 568858735 /nfs/dbraw/zinc/85/87/35/568858735.db2.gz KXGDZFAMRRELRB-UHFFFAOYSA-N 0 0 435.499 4.626 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000015976082 568861179 /nfs/dbraw/zinc/86/11/79/568861179.db2.gz URISMLQAQRWPDB-RUDMXATFSA-N 0 0 436.861 4.923 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000015976976 568861326 /nfs/dbraw/zinc/86/13/26/568861326.db2.gz GUVVESNQMLIQKZ-UHFFFAOYSA-N 0 0 448.466 4.745 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000016002275 568862316 /nfs/dbraw/zinc/86/23/16/568862316.db2.gz GGBFGQQTBKWXBC-RUZDIDTESA-N 0 0 437.923 4.910 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CSc1ccccc1C(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000016035745 568867818 /nfs/dbraw/zinc/86/78/18/568867818.db2.gz SGQLZFWCKNLAMM-BGYRXZFFSA-N 0 0 439.625 4.735 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2nc3ccccc3s2)cs1 ZINC000016047537 568868961 /nfs/dbraw/zinc/86/89/61/568868961.db2.gz PSYOYTFVXMRWDU-UHFFFAOYSA-N 0 0 439.522 4.587 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000016047979 568869305 /nfs/dbraw/zinc/86/93/05/568869305.db2.gz FYJOTXWGQWNJIT-UHFFFAOYSA-N 0 0 440.521 4.905 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1C ZINC000012948608 568871632 /nfs/dbraw/zinc/87/16/32/568871632.db2.gz XRWVMIJWQJXGCU-LLVKDONJSA-N 0 0 425.710 4.775 50 0 IJAARN CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[nH]c(N5CCC(C)CC5)n4)cc3cc21 ZINC000575473291 568873074 /nfs/dbraw/zinc/87/30/74/568873074.db2.gz SUHHSDCPRYXVGJ-UHFFFAOYSA-N 0 0 446.551 4.824 50 0 IJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2nn(-c3ccccc3)c3c2CCC3)c1Cl ZINC000063840706 568875701 /nfs/dbraw/zinc/87/57/01/568875701.db2.gz KJTIBXGGYVSGBW-UHFFFAOYSA-N 0 0 437.714 4.655 50 0 IJAARN COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000006245211 568880931 /nfs/dbraw/zinc/88/09/31/568880931.db2.gz YARTXASACUGJKI-QGZVFWFLSA-N 0 0 445.548 4.766 50 0 IJAARN O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cc(=O)c2ccccc2o1 ZINC000010573043 568884438 /nfs/dbraw/zinc/88/44/38/568884438.db2.gz OFCGFLJABTXMRD-UHFFFAOYSA-N 0 0 433.308 4.993 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3OC)C2)c2ccccc12 ZINC000012998947 568887340 /nfs/dbraw/zinc/88/73/40/568887340.db2.gz AGEUDPKPFQRHAH-OALUTQOASA-N 0 0 446.547 4.587 50 0 IJAARN O=C(CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCc1ccccc1Cl ZINC000012975750 568890144 /nfs/dbraw/zinc/89/01/44/568890144.db2.gz PHBAAQVOTBXYRN-UHFFFAOYSA-N 0 0 441.915 4.624 50 0 IJAARN CC(C)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1 ZINC000090610314 568892197 /nfs/dbraw/zinc/89/21/97/568892197.db2.gz JGLGLPCDSYODGK-UHFFFAOYSA-N 0 0 429.513 4.587 50 0 IJAARN O=C(/C=C/c1ccccc1Br)Nc1cc2c(cc1Br)OCCO2 ZINC000016008906 568894083 /nfs/dbraw/zinc/89/40/83/568894083.db2.gz LQOOAYQSLBOIIB-AATRIKPKSA-N 0 0 439.103 4.635 50 0 IJAARN CNC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 ZINC000096398718 568899182 /nfs/dbraw/zinc/89/91/82/568899182.db2.gz MLHHHUBZNRVLCM-SDXDJHTJSA-N 0 0 428.532 4.922 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1oc2ccccc2c1COC ZINC000013008227 568899592 /nfs/dbraw/zinc/89/95/92/568899592.db2.gz PCVQOSUUBKZMTM-UHFFFAOYSA-N 0 0 439.899 4.522 50 0 IJAARN COCCCn1c(SCc2noc(-c3ccco3)n2)nnc1-c1ccccc1Cl ZINC000013009244 568899697 /nfs/dbraw/zinc/89/96/97/568899697.db2.gz BZWBBOHVALMEPV-UHFFFAOYSA-N 0 0 431.905 4.570 50 0 IJAARN CCOCCCn1c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 ZINC000013010527 568899899 /nfs/dbraw/zinc/89/98/99/568899899.db2.gz SBXIVNWDGNJTNU-GOSISDBHSA-N 0 0 439.585 4.503 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cs2)cc1 ZINC000013013114 568901373 /nfs/dbraw/zinc/90/13/73/568901373.db2.gz FJJBWBNQDBUQCC-UHFFFAOYSA-N 0 0 435.549 4.658 50 0 IJAARN C[C@@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000013019942 568901982 /nfs/dbraw/zinc/90/19/82/568901982.db2.gz FZLOZYCSXNJQKL-KRGUIMPISA-N 0 0 447.604 4.846 50 0 IJAARN CCCc1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013021706 568902307 /nfs/dbraw/zinc/90/23/07/568902307.db2.gz MGJWMKLCQQVXLF-RUZDIDTESA-N 0 0 431.561 4.706 50 0 IJAARN CCOc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001791898 568907990 /nfs/dbraw/zinc/90/79/90/568907990.db2.gz BMWCWDDPAPBWFD-CYBMUJFWSA-N 0 0 426.460 4.803 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 ZINC000001806329 568908733 /nfs/dbraw/zinc/90/87/33/568908733.db2.gz AUJOODSTVONIEW-WQRHYEAKSA-N 0 0 446.359 4.851 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32C)cc1 ZINC000245242159 568913241 /nfs/dbraw/zinc/91/32/41/568913241.db2.gz FGXUFWKNTABFFK-WRALFONMSA-N 0 0 448.906 4.790 50 0 IJAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000026771371 568916655 /nfs/dbraw/zinc/91/66/55/568916655.db2.gz GQGCKTPBTLDYKB-UHFFFAOYSA-N 0 0 441.531 4.877 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000089334928 568920585 /nfs/dbraw/zinc/92/05/85/568920585.db2.gz MDLLEDCFOJEBHA-UHFFFAOYSA-N 0 0 439.537 4.547 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c23)cc1C ZINC000001971070 568924239 /nfs/dbraw/zinc/92/42/39/568924239.db2.gz PMQBFPDVGLWZTP-UHFFFAOYSA-N 0 0 429.545 4.721 50 0 IJAARN CCOc1ccc(-c2nc(CN(CC)CC(=O)Nc3ccccc3OC)cs2)cc1 ZINC000016588207 568924464 /nfs/dbraw/zinc/92/44/64/568924464.db2.gz IWFMIFCPNXKLOT-UHFFFAOYSA-N 0 0 425.554 4.678 50 0 IJAARN COc1cc(OC)c(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1 ZINC000252605659 568926082 /nfs/dbraw/zinc/92/60/82/568926082.db2.gz GLJOMGLVAQLHOA-UHFFFAOYSA-N 0 0 441.491 4.677 50 0 IJAARN Cn1c2ccc(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cc2n(C)c1=O ZINC000064407810 568927568 /nfs/dbraw/zinc/92/75/68/568927568.db2.gz SANNUXDDLPSWLS-UHFFFAOYSA-N 0 0 441.409 4.940 50 0 IJAARN C[C@]1(CCc2ccc(O)cc2)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000521398847 568927574 /nfs/dbraw/zinc/92/75/74/568927574.db2.gz MXGRFOXGGMSGKH-VWLOTQADSA-N 0 0 428.467 4.548 50 0 IJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1OC ZINC000064450228 568928667 /nfs/dbraw/zinc/92/86/67/568928667.db2.gz SMWZHEMXJCCGSE-LJQANCHMSA-N 0 0 447.535 4.904 50 0 IJAARN COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452549 568929326 /nfs/dbraw/zinc/92/93/26/568929326.db2.gz KSWGZGQBSSGZMU-PZJWPPBQSA-N 0 0 446.551 4.680 50 0 IJAARN COc1cc(OC)c(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1Cl ZINC000064471857 568929899 /nfs/dbraw/zinc/92/98/99/568929899.db2.gz WNKUNHQWNOBZDY-UHFFFAOYSA-N 0 0 443.956 4.838 50 0 IJAARN CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc32)c1 ZINC000064474006 568929999 /nfs/dbraw/zinc/92/99/99/568929999.db2.gz ZPBAHWWVYPUKGP-UHFFFAOYSA-N 0 0 433.508 4.790 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cc(Oc4cccc(OC)c4)ncn3)c2)cc1 ZINC000064578497 568933942 /nfs/dbraw/zinc/93/39/42/568933942.db2.gz NFBRMBUZDHYTRG-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1cc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccco2)no1 ZINC000104285723 568936993 /nfs/dbraw/zinc/93/69/93/568936993.db2.gz ABBPCCBPWMFGAM-SSZFMOIBSA-N 0 0 443.459 4.797 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1N1C[C@H](C)O[C@@H](C)C1 ZINC000027024521 568939229 /nfs/dbraw/zinc/93/92/29/568939229.db2.gz BQPKXVPAXXLYNN-IRXDYDNUSA-N 0 0 444.468 5.000 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)cc1 ZINC000064605918 568939814 /nfs/dbraw/zinc/93/98/14/568939814.db2.gz FANNECJVMXTQOT-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN COc1ccc(CNC(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1 ZINC000064611058 568940067 /nfs/dbraw/zinc/94/00/67/568940067.db2.gz FMBQOLGKQYCVIV-UHFFFAOYSA-N 0 0 431.540 4.710 50 0 IJAARN O=C1C[C@@H](c2cccc(Br)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656609 568942197 /nfs/dbraw/zinc/94/21/97/568942197.db2.gz SDVFBMSVBKWBLG-HNNXBMFYSA-N 0 0 448.363 4.818 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1OC ZINC000064664819 568942526 /nfs/dbraw/zinc/94/25/26/568942526.db2.gz CFBSKUHSCMCTCP-UHFFFAOYSA-N 0 0 433.483 4.561 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NCCC(C)C)CC1 ZINC000064668025 568943164 /nfs/dbraw/zinc/94/31/64/568943164.db2.gz LKULNUMOLBPJMA-UHFFFAOYSA-N 0 0 431.577 4.662 50 0 IJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000064677202 568944054 /nfs/dbraw/zinc/94/40/54/568944054.db2.gz BEMDHCVXVPQXLM-UHFFFAOYSA-N 0 0 442.588 4.936 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nc2c3cccnc3sc2c1=O ZINC000064699853 568944296 /nfs/dbraw/zinc/94/42/96/568944296.db2.gz NAYZCCDPHDTQFR-UHFFFAOYSA-N 0 0 442.541 4.532 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3[nH]c2=S)cc1 ZINC000036064668 568944841 /nfs/dbraw/zinc/94/48/41/568944841.db2.gz PRDBWNLOFVTANC-BXTJHSDWSA-N 0 0 437.565 4.611 50 0 IJAARN Cc1cc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCC(C)C)c2)ccc1Cl ZINC000036073229 568945649 /nfs/dbraw/zinc/94/56/49/568945649.db2.gz AUKVSKTZRBDHBX-UHFFFAOYSA-N 0 0 440.931 4.664 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083436 568947010 /nfs/dbraw/zinc/94/70/10/568947010.db2.gz QHVYWLFOIDLLJM-HXUWFJFHSA-N 0 0 449.334 4.976 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2OC)no1 ZINC000064747593 568950005 /nfs/dbraw/zinc/95/00/05/568950005.db2.gz RDMDWZPBIOYUKN-MRXNPFEDSA-N 0 0 428.876 4.776 50 0 IJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000064747519 568950063 /nfs/dbraw/zinc/95/00/63/568950063.db2.gz RPIWGXKUPIJLLX-QGZVFWFLSA-N 0 0 428.876 4.776 50 0 IJAARN Cc1cccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1C ZINC000064746982 568950295 /nfs/dbraw/zinc/95/02/95/568950295.db2.gz JKMPHMQZFNHPGL-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(C)cc4C)CC3=O)c2)cc1 ZINC000064754703 568950994 /nfs/dbraw/zinc/95/09/94/568950994.db2.gz HVEFBPONZKNPDS-OAQYLSRUSA-N 0 0 441.531 4.856 50 0 IJAARN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)Nc1cc(F)ccc1Cl ZINC000064759250 568951831 /nfs/dbraw/zinc/95/18/31/568951831.db2.gz HCNVSDRCDMASFR-UHFFFAOYSA-N 0 0 439.878 4.638 50 0 IJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)s2)n1 ZINC000064769365 568953154 /nfs/dbraw/zinc/95/31/54/568953154.db2.gz SAIAMXOKNCSUFM-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)Cc1ccccc1 ZINC000036105891 568953576 /nfs/dbraw/zinc/95/35/76/568953576.db2.gz PLAZJFYYTAILTL-UHFFFAOYSA-N 0 0 438.593 4.865 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2csc(COc3ccccc3)n2)CC(C)C)cc1 ZINC000036115366 568955263 /nfs/dbraw/zinc/95/52/63/568955263.db2.gz COVVSATYHUVGBJ-UHFFFAOYSA-N 0 0 430.595 4.877 50 0 IJAARN COCCCN(Cc1csc(COc2ccccc2C)n1)C(=O)c1cccc(OC)c1 ZINC000036114884 568955269 /nfs/dbraw/zinc/95/52/69/568955269.db2.gz QYKFXHDXRWQLDZ-UHFFFAOYSA-N 0 0 440.565 4.718 50 0 IJAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc(OC)cc1 ZINC000036114730 568955290 /nfs/dbraw/zinc/95/52/90/568955290.db2.gz HZKRXAJBYOOMQO-UHFFFAOYSA-N 0 0 440.565 4.718 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)C ZINC000036115680 568955552 /nfs/dbraw/zinc/95/55/52/568955552.db2.gz AHIBCXGEXIFRFR-LJQANCHMSA-N 0 0 434.989 4.553 50 0 IJAARN CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(C)=O ZINC000036119071 568956086 /nfs/dbraw/zinc/95/60/86/568956086.db2.gz MDPLWXHGRUKPBX-HTAPYJJXSA-N 0 0 442.625 4.764 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119462 568956116 /nfs/dbraw/zinc/95/61/16/568956116.db2.gz UNYGCIXQTLGJQK-DENIHFKCSA-N 0 0 442.625 4.926 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120842 568957680 /nfs/dbraw/zinc/95/76/80/568957680.db2.gz VOJVWCLYCHRMLF-UWJYYQICSA-N 0 0 446.588 4.675 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](C)CC ZINC000036121147 568957814 /nfs/dbraw/zinc/95/78/14/568957814.db2.gz LAHJHYAHLVGOGA-DYESRHJHSA-N 0 0 446.588 4.677 50 0 IJAARN CCCc1cc(Nc2cccc(C(=O)N3CCCCC3)c2)n2nc(-c3cccnc3)nc2n1 ZINC000064791650 568958978 /nfs/dbraw/zinc/95/89/78/568958978.db2.gz DUJBPMBDJVPEET-UHFFFAOYSA-N 0 0 441.539 4.509 50 0 IJAARN COCCn1c(SCc2ccc(F)cc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064794284 568959963 /nfs/dbraw/zinc/95/99/63/568959963.db2.gz OWOOTZTYKYUISJ-UHFFFAOYSA-N 0 0 449.964 4.868 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC2CCCC2)c1C ZINC000064815713 568963459 /nfs/dbraw/zinc/96/34/59/568963459.db2.gz OCVBCVPTSJKBCC-RUZDIDTESA-N 0 0 448.592 4.706 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064815716 568963560 /nfs/dbraw/zinc/96/35/60/568963560.db2.gz HFNPAJVFJNGIKH-VWLOTQADSA-N 0 0 448.592 4.652 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036152596 568963601 /nfs/dbraw/zinc/96/36/01/568963601.db2.gz ARUHXHMETXZVAK-AREMUKBSSA-N 0 0 428.557 4.892 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)c1 ZINC000064815920 568963626 /nfs/dbraw/zinc/96/36/26/568963626.db2.gz JMZBOIPMPFWCLK-DEOSSOPVSA-N 0 0 436.581 4.562 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036152600 568963703 /nfs/dbraw/zinc/96/37/03/568963703.db2.gz ARUHXHMETXZVAK-SANMLTNESA-N 0 0 428.557 4.892 50 0 IJAARN Cc1ccc(NC(=O)N(Cc2c(-c3ccccc3)noc2N2CCOCC2)C(C)C)cc1 ZINC000036150866 568964000 /nfs/dbraw/zinc/96/40/00/568964000.db2.gz DSNMPNVJQIUWNK-UHFFFAOYSA-N 0 0 434.540 4.929 50 0 IJAARN CC[C@H]1Cn2c(C(=O)NCc3cc(Br)ccc3OC)cc3cccc(c32)O1 ZINC000064816589 568964250 /nfs/dbraw/zinc/96/42/50/568964250.db2.gz YHRIDHYVRAJIOJ-INIZCTEOSA-N 0 0 429.314 4.513 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccccc3OC)c(=O)c21 ZINC000064817294 568964457 /nfs/dbraw/zinc/96/44/57/568964457.db2.gz PSJODENDHRTDCY-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCOc1ccc(-c2nc(CN(C)S(=O)(=O)c3ccc(C(C)C)cc3)c(C)o2)cc1 ZINC000064817896 568964877 /nfs/dbraw/zinc/96/48/77/568964877.db2.gz RESNTZJOTIMALI-UHFFFAOYSA-N 0 0 428.554 4.993 50 0 IJAARN CC1(C)CN(C(=O)C2CC2)[C@@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155619 568966410 /nfs/dbraw/zinc/96/64/10/568966410.db2.gz BOJLEYPELMOSPL-HSZRJFAPSA-N 0 0 426.969 4.804 50 0 IJAARN Cc1ccccc1-c1noc(C2CCN(C(=O)Cc3ccc(Br)cc3)CC2)n1 ZINC000064818361 568966418 /nfs/dbraw/zinc/96/64/18/568966418.db2.gz CWIBLXHULYYFCR-UHFFFAOYSA-N 0 0 440.341 4.756 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(Cc2ccccc2)c3=O)c1 ZINC000064819493 568966540 /nfs/dbraw/zinc/96/65/40/568966540.db2.gz SOIQWWWBXLWSKQ-UHFFFAOYSA-N 0 0 438.531 4.606 50 0 IJAARN O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1c(F)cccc1F)c1ccccc12 ZINC000036166724 568967480 /nfs/dbraw/zinc/96/74/80/568967480.db2.gz AJTKTVUGSNODMX-QFIPXVFZSA-N 0 0 442.512 4.615 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036161781 568967751 /nfs/dbraw/zinc/96/77/51/568967751.db2.gz PZQYSCQOSBHVBA-RUZDIDTESA-N 0 0 429.545 4.976 50 0 IJAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862250 568974143 /nfs/dbraw/zinc/97/41/43/568974143.db2.gz FYABOFWKFIIVEC-UHFFFAOYSA-N 0 0 441.597 4.763 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C(C)C)cc3)c2)on1 ZINC000064866193 568974249 /nfs/dbraw/zinc/97/42/49/568974249.db2.gz SHPCLRVXADRAGV-UHFFFAOYSA-N 0 0 426.538 4.884 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)c(C)c3)c2)c1C ZINC000064867203 568974987 /nfs/dbraw/zinc/97/49/87/568974987.db2.gz NQEQMTHITOXTOW-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)NCc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869754 568976484 /nfs/dbraw/zinc/97/64/84/568976484.db2.gz HHBWMXQTFYKUQE-UHFFFAOYSA-N 0 0 443.956 4.682 50 0 IJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1Cl ZINC000064872067 568977794 /nfs/dbraw/zinc/97/77/94/568977794.db2.gz AIMIFHLNZPMSLN-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873366 568978238 /nfs/dbraw/zinc/97/82/38/568978238.db2.gz IJBOKXBDOSIRMD-UHFFFAOYSA-N 0 0 449.869 4.856 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064873011 568978246 /nfs/dbraw/zinc/97/82/46/568978246.db2.gz PANGOFFBRICMQA-UHFFFAOYSA-N 0 0 448.542 4.604 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)C1 ZINC000006770910 568981907 /nfs/dbraw/zinc/98/19/07/568981907.db2.gz QFRDEINRYDUJGD-IBGZPJMESA-N 0 0 425.573 4.843 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000036247197 568982157 /nfs/dbraw/zinc/98/21/57/568982157.db2.gz XPXLSEXVRVHENT-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000036247620 568982275 /nfs/dbraw/zinc/98/22/75/568982275.db2.gz RVIKJGAROBNDRG-INIZCTEOSA-N 0 0 442.512 4.749 50 0 IJAARN CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)c1cccs1 ZINC000036249143 568983069 /nfs/dbraw/zinc/98/30/69/568983069.db2.gz WEKGXLVVOYJRQU-UHFFFAOYSA-N 0 0 443.544 4.677 50 0 IJAARN COc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000064928044 568986881 /nfs/dbraw/zinc/98/68/81/568986881.db2.gz MOTMKXUKXNTNBC-UHFFFAOYSA-N 0 0 449.473 4.664 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929102 568987495 /nfs/dbraw/zinc/98/74/95/568987495.db2.gz GXLHEHGHSWNPAS-DENIHFKCSA-N 0 0 432.543 4.637 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064929962 568988336 /nfs/dbraw/zinc/98/83/36/568988336.db2.gz WNBNNUUFSSELIZ-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930377 568988945 /nfs/dbraw/zinc/98/89/45/568988945.db2.gz GSHVYNOUQXNNDE-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930815 568989309 /nfs/dbraw/zinc/98/93/09/568989309.db2.gz PSXXHYCLWONOIS-INIZCTEOSA-N 0 0 447.442 4.577 50 0 IJAARN O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000064942944 568992158 /nfs/dbraw/zinc/99/21/58/568992158.db2.gz YVNDLXWFCSDLEG-UHFFFAOYSA-N 0 0 441.984 4.563 50 0 IJAARN CSc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1 ZINC000064944387 568993479 /nfs/dbraw/zinc/99/34/79/568993479.db2.gz PZIMYAKKJKGQHA-CYBMUJFWSA-N 0 0 445.639 4.775 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CCOC)C[C@@H](O)CC ZINC000036303057 568993904 /nfs/dbraw/zinc/99/39/04/568993904.db2.gz HAOXWJNQSRGYDH-QFIPXVFZSA-N 0 0 437.584 4.755 50 0 IJAARN CCc1nnc2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc3ccccc3n12 ZINC000064949108 568994739 /nfs/dbraw/zinc/99/47/39/568994739.db2.gz KGDUEMYWTLALJM-UHFFFAOYSA-N 0 0 431.443 4.590 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2ccc(F)cc2)c1 ZINC000036314366 568998303 /nfs/dbraw/zinc/99/83/03/568998303.db2.gz WJGWMQZKRUUFAI-UHFFFAOYSA-N 0 0 449.526 4.678 50 0 IJAARN CCCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036313267 568998589 /nfs/dbraw/zinc/99/85/89/568998589.db2.gz VHKKQFQUYOWNHA-UHFFFAOYSA-N 0 0 441.478 4.509 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315239 568999617 /nfs/dbraw/zinc/99/96/17/568999617.db2.gz ZQSURBQHBDLBMT-IBGZPJMESA-N 0 0 427.850 4.945 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000064977416 569076985 /nfs/dbraw/zinc/07/69/85/569076985.db2.gz MAIIQZQGNCYJFW-UHFFFAOYSA-N 0 0 434.858 4.967 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2nsc3ccccc32)c1 ZINC000064972609 569077067 /nfs/dbraw/zinc/07/70/67/569077067.db2.gz AFAZZQQMFKZOPD-UHFFFAOYSA-N 0 0 431.517 4.796 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3F)C2)cc1 ZINC000036341501 569079377 /nfs/dbraw/zinc/07/93/77/569079377.db2.gz DMEATKPSUHGCHF-SANMLTNESA-N 0 0 443.522 4.570 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000064989008 569082928 /nfs/dbraw/zinc/08/29/28/569082928.db2.gz QQABUHPVAMBVIO-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000064998456 569085171 /nfs/dbraw/zinc/08/51/71/569085171.db2.gz NZTAYWLMMIVCNG-UHFFFAOYSA-N 0 0 437.956 4.634 50 0 IJAARN COc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(C)c(C)c4)c3C)nc2C)cc1 ZINC000064998568 569085408 /nfs/dbraw/zinc/08/54/08/569085408.db2.gz QMHFEDWVACDDNL-UHFFFAOYSA-N 0 0 447.564 4.563 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N(C)Cc4ccccc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000339 569085932 /nfs/dbraw/zinc/08/59/32/569085932.db2.gz KDIXODXWAKPKKI-UHFFFAOYSA-N 0 0 428.532 4.573 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)N3CCCCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065010933 569088100 /nfs/dbraw/zinc/08/81/00/569088100.db2.gz BMLPWQNIJCTEHP-UHFFFAOYSA-N 0 0 446.613 4.939 50 0 IJAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCc2cccc(Br)c2)n1 ZINC000065010153 569088130 /nfs/dbraw/zinc/08/81/30/569088130.db2.gz CLXMORZRZDRBHI-UHFFFAOYSA-N 0 0 426.270 4.792 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023371 569089388 /nfs/dbraw/zinc/08/93/88/569089388.db2.gz VFENINMEPLFYGQ-OAQYLSRUSA-N 0 0 432.593 4.707 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1Cl ZINC000065023818 569089428 /nfs/dbraw/zinc/08/94/28/569089428.db2.gz OCLZACVIWVAIAR-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN CCOc1c2cc(NC(=O)Nc3ccc(OC)cc3OC)ccc2sc1C(=O)OC ZINC000065022938 569089885 /nfs/dbraw/zinc/08/98/85/569089885.db2.gz WLTYLRKFUCRVOO-UHFFFAOYSA-N 0 0 430.482 4.748 50 0 IJAARN O=C(Nc1cc(F)c2nc(N3CCOCC3)ccc2c1)Nc1ccccc1C(F)(F)F ZINC000065029809 569091153 /nfs/dbraw/zinc/09/11/53/569091153.db2.gz JDEVQEFWTUKATQ-UHFFFAOYSA-N 0 0 434.393 4.873 50 0 IJAARN O=C(CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1)NC1CCCCC1 ZINC000065056214 569094786 /nfs/dbraw/zinc/09/47/86/569094786.db2.gz SLESVIHSZCQGBN-UHFFFAOYSA-N 0 0 433.556 4.657 50 0 IJAARN Cc1noc2nc(CCC(=O)N[C@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056716 569094949 /nfs/dbraw/zinc/09/49/49/569094949.db2.gz SCIIQLAXWZNLTJ-FVJLSDCUSA-N 0 0 447.583 4.535 50 0 IJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000065059062 569095908 /nfs/dbraw/zinc/09/59/08/569095908.db2.gz UFWOTFOQWAHKHV-QFIPXVFZSA-N 0 0 433.474 4.964 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)cc1OC ZINC000065061180 569096376 /nfs/dbraw/zinc/09/63/76/569096376.db2.gz BLKBLBZDDSETNH-UHFFFAOYSA-N 0 0 449.938 4.921 50 0 IJAARN CCCCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000065063372 569097917 /nfs/dbraw/zinc/09/79/17/569097917.db2.gz CGGAOZVHGPEXNF-UHFFFAOYSA-N 0 0 439.537 4.595 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl ZINC000036392534 569098341 /nfs/dbraw/zinc/09/83/41/569098341.db2.gz KDGISINFUQNJDJ-HNNXBMFYSA-N 0 0 441.837 4.523 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000036396295 569099012 /nfs/dbraw/zinc/09/90/12/569099012.db2.gz NVQSHCQXLYHPOI-UHFFFAOYSA-N 0 0 425.337 4.989 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cc(F)cc(F)c1 ZINC000065075043 569099374 /nfs/dbraw/zinc/09/93/74/569099374.db2.gz YOWPUFGKMWZDPT-AREMUKBSSA-N 0 0 434.486 4.547 50 0 IJAARN COc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000065075187 569099509 /nfs/dbraw/zinc/09/95/09/569099509.db2.gz FCUFLIZGXCSSGJ-SANMLTNESA-N 0 0 448.950 4.622 50 0 IJAARN COc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000065075156 569099517 /nfs/dbraw/zinc/09/95/17/569099517.db2.gz PKYMUDDAVYBIAQ-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN CCSc1nnc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000036397677 569100838 /nfs/dbraw/zinc/10/08/38/569100838.db2.gz XUBIXSGPGHASSL-UHFFFAOYSA-N 0 0 436.653 4.758 50 0 IJAARN CCN(Cc1ccccc1)C(=O)Cc1csc2nc(-c3ccc(OC)c(OC)c3)cn12 ZINC000065079563 569100948 /nfs/dbraw/zinc/10/09/48/569100948.db2.gz HGGFTCIFWKHDDQ-UHFFFAOYSA-N 0 0 435.549 4.671 50 0 IJAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000036398394 569101316 /nfs/dbraw/zinc/10/13/16/569101316.db2.gz WVIQXIUTGJNTDC-JOCHJYFZSA-N 0 0 446.576 4.903 50 0 IJAARN O=S(=O)(NCCc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097991 569104320 /nfs/dbraw/zinc/10/43/20/569104320.db2.gz PUMRMAUWCPDLCR-UHFFFAOYSA-N 0 0 445.953 4.640 50 0 IJAARN O=S(=O)(NCc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065098008 569104450 /nfs/dbraw/zinc/10/44/50/569104450.db2.gz BABKVBNVNLNHAJ-UHFFFAOYSA-N 0 0 431.926 4.597 50 0 IJAARN CCc1nc(-c2cccc(-c3noc(CCS(=O)(=O)c4ccc(C)cc4)n3)c2)cs1 ZINC000065098212 569104652 /nfs/dbraw/zinc/10/46/52/569104652.db2.gz NTHIMMYOIVWNJV-UHFFFAOYSA-N 0 0 439.562 4.747 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099690 569105309 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O=C(N[C@H](C(=O)Nc1nccs1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000036569405 569118652 /nfs/dbraw/zinc/11/86/52/569118652.db2.gz HVXCPOVHKCROEE-QFIPXVFZSA-N 0 0 427.529 4.771 50 0 IJAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1=O ZINC000065241617 569118922 /nfs/dbraw/zinc/11/89/22/569118922.db2.gz YDWIEDQVESLKIK-UHFFFAOYSA-N 0 0 443.912 4.698 50 0 IJAARN Cc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCCC1 ZINC000065232252 569119010 /nfs/dbraw/zinc/11/90/10/569119010.db2.gz LXQADYLZQSPWSE-UHFFFAOYSA-N 0 0 449.473 4.648 50 0 IJAARN CCn1cc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)c2cccnc21 ZINC000065240913 569120824 /nfs/dbraw/zinc/12/08/24/569120824.db2.gz RNFMWAMBZCMUSL-UHFFFAOYSA-N 0 0 447.564 4.577 50 0 IJAARN CCCN1c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2Sc2ncccc2C1=O ZINC000065241382 569121018 /nfs/dbraw/zinc/12/10/18/569121018.db2.gz BOWDNQYVNIFIHZ-UHFFFAOYSA-N 0 0 447.516 4.627 50 0 IJAARN Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 ZINC000036616158 569122787 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IJAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N[C@@H](C)CC12CC3CC(CC(C3)C1)C2 ZINC000065329757 569136874 /nfs/dbraw/zinc/13/68/74/569136874.db2.gz ZXLPLGNLSRKVNJ-WWLATJOISA-N 0 0 425.573 4.679 50 0 IJAARN COc1ccc(Nc2c(-c3ccc(O)cc3)nc3cnc(Br)cn32)cc1OC ZINC000065331632 569137334 /nfs/dbraw/zinc/13/73/34/569137334.db2.gz WSPRUEWODAMIKC-UHFFFAOYSA-N 0 0 441.285 4.625 50 0 IJAARN O=C(NCCCNc1ccccc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000065565159 569139397 /nfs/dbraw/zinc/13/93/97/569139397.db2.gz HDLXFBCUQVZPLP-UHFFFAOYSA-N 0 0 440.897 4.589 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000065553109 569139729 /nfs/dbraw/zinc/13/97/29/569139729.db2.gz LLZUXVKUGIWSGG-UHFFFAOYSA-N 0 0 442.874 4.883 50 0 IJAARN Cc1cc(C)n(-c2ccc(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc2)n1 ZINC000065575283 569139750 /nfs/dbraw/zinc/13/97/50/569139750.db2.gz SBWUAOWJEKZVDY-QHCPKHFHSA-N 0 0 431.536 4.557 50 0 IJAARN C[C@@H](OC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1nc2ccccc2o1 ZINC000170591789 569141061 /nfs/dbraw/zinc/14/10/61/569141061.db2.gz XAIKLOWBVSBARI-OAHLLOKOSA-N 0 0 428.444 4.662 50 0 IJAARN Cc1ccc(C)n1-c1sc(C)c(C)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000170597527 569142074 /nfs/dbraw/zinc/14/20/74/569142074.db2.gz FZMUHPDAUGNJOT-INIZCTEOSA-N 0 0 430.595 4.667 50 0 IJAARN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000170598518 569142415 /nfs/dbraw/zinc/14/24/15/569142415.db2.gz UFAQBFGIICXGDR-UHFFFAOYSA-N 0 0 425.544 4.583 50 0 IJAARN Nn1c(SCc2cc3ccccc3c(Cl)n2)nnc1-c1ccccc1Br ZINC000170605483 569143741 /nfs/dbraw/zinc/14/37/41/569143741.db2.gz TUYLPOUUHIGDEL-UHFFFAOYSA-N 0 0 446.761 4.915 50 0 IJAARN C[C@H](NC(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606031 569143870 /nfs/dbraw/zinc/14/38/70/569143870.db2.gz NBUMRXPCZHFELN-LBPRGKRZSA-N 0 0 434.284 4.927 50 0 IJAARN Cc1c(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cccc1C(F)(F)F ZINC000170610348 569144926 /nfs/dbraw/zinc/14/49/26/569144926.db2.gz XSEBKHOZVJDHSR-IRXDYDNUSA-N 0 0 443.425 4.544 50 0 IJAARN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(C3CCCCC3)n[nH]1)CC2 ZINC000170611394 569145198 /nfs/dbraw/zinc/14/51/98/569145198.db2.gz NATCEQLXSIGLLH-UHFFFAOYSA-N 0 0 430.593 4.711 50 0 IJAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000037277282 569145259 /nfs/dbraw/zinc/14/52/59/569145259.db2.gz SQAOTTXWWZHYGC-UHFFFAOYSA-N 0 0 433.596 4.799 50 0 IJAARN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCCC3)CC2)cc1 ZINC000037276872 569145372 /nfs/dbraw/zinc/14/53/72/569145372.db2.gz LCNDLNVBVVVCAI-UHFFFAOYSA-N 0 0 433.596 4.704 50 0 IJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3ccc(OC)cc3)c2)n1 ZINC000037285147 569145903 /nfs/dbraw/zinc/14/59/03/569145903.db2.gz MIBQMMNVECVKDK-UHFFFAOYSA-N 0 0 444.491 4.603 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NC1CC1 ZINC000037280732 569146041 /nfs/dbraw/zinc/14/60/41/569146041.db2.gz AWBVOBOLMLABHN-AZGAKELHSA-N 0 0 434.580 4.643 50 0 IJAARN Cc1ccc([C@H]2c3cc(OCC(=O)NCC(C)C)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037281074 569146059 /nfs/dbraw/zinc/14/60/59/569146059.db2.gz HGGOUWFQIJUJDZ-MHZLTWQESA-N 0 0 448.607 4.810 50 0 IJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cccc(OC)c4nc3Cl)C2)cc1OC ZINC000170614193 569146280 /nfs/dbraw/zinc/14/62/80/569146280.db2.gz WFCCZTMASXHIIH-GOSISDBHSA-N 0 0 439.899 4.612 50 0 IJAARN CC(C)Cn1ccc2c1cccc2NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O ZINC000071284166 569150824 /nfs/dbraw/zinc/15/08/24/569150824.db2.gz UJJPZMQQNAOEHF-UHFFFAOYSA-N 0 0 434.927 4.813 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc3nc(C)cc(C)n3n1)oc1ccccc12 ZINC000009955231 569151217 /nfs/dbraw/zinc/15/12/17/569151217.db2.gz BVLBJEREZRXPNF-CQSZACIVSA-N 0 0 447.520 4.768 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000010026507 569151664 /nfs/dbraw/zinc/15/16/64/569151664.db2.gz LYHKPHWBJDNTBN-UHFFFAOYSA-N 0 0 444.535 4.532 50 0 IJAARN O=S(=O)(c1ccc(SCc2cc(-c3ccccc3)on2)nc1)N1CCCCCC1 ZINC000010036972 569151943 /nfs/dbraw/zinc/15/19/43/569151943.db2.gz NAKGJCDLJOZWDQ-UHFFFAOYSA-N 0 0 429.567 4.594 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(N)cc3)n2-c2ccccc2)cc1 ZINC000010059448 569152171 /nfs/dbraw/zinc/15/21/71/569152171.db2.gz RJWQZEZITGUILP-UHFFFAOYSA-N 0 0 445.548 4.646 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000010220617 569152907 /nfs/dbraw/zinc/15/29/07/569152907.db2.gz IAVYXRBXKWPRAC-UHFFFAOYSA-N 0 0 441.578 4.626 50 0 IJAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000013324760 569155052 /nfs/dbraw/zinc/15/50/52/569155052.db2.gz XKKHJNROVKQGNY-UHFFFAOYSA-N 0 0 427.854 4.717 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000013579740 569156305 /nfs/dbraw/zinc/15/63/05/569156305.db2.gz ZHDUHVZCJGBPEI-RTBURBONSA-N 0 0 426.925 4.526 50 0 IJAARN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1ccccc1C(F)(F)F ZINC000013611183 569156400 /nfs/dbraw/zinc/15/64/00/569156400.db2.gz RSZOBUDTBLYKNZ-UHFFFAOYSA-N 0 0 443.429 4.643 50 0 IJAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014623212 569159592 /nfs/dbraw/zinc/15/95/92/569159592.db2.gz YZEOIRMAFMECAO-QZTJIDSGSA-N 0 0 426.900 4.636 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)ccc3C)ccc2C)cc1 ZINC000089646789 569160405 /nfs/dbraw/zinc/16/04/05/569160405.db2.gz MAMMBAPFEIZXHZ-UHFFFAOYSA-N 0 0 428.485 4.504 50 0 IJAARN O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccc2c(c1)OCCO2 ZINC000016841074 569163249 /nfs/dbraw/zinc/16/32/49/569163249.db2.gz JBAZMZQRVGVEJT-UHFFFAOYSA-N 0 0 447.310 4.606 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000016843992 569163831 /nfs/dbraw/zinc/16/38/31/569163831.db2.gz ZUKDCKJPYCCOCG-UHFFFAOYSA-N 0 0 447.495 4.788 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 ZINC000016849282 569164490 /nfs/dbraw/zinc/16/44/90/569164490.db2.gz KZUGJQMQSPNRDK-KRWDZBQOSA-N 0 0 428.602 4.667 50 0 IJAARN O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)Nc1cccc(Cl)c1 ZINC000016849213 569164584 /nfs/dbraw/zinc/16/45/84/569164584.db2.gz IEBUZDOMUAHVFV-UHFFFAOYSA-N 0 0 426.929 4.962 50 0 IJAARN O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000089826183 569165218 /nfs/dbraw/zinc/16/52/18/569165218.db2.gz QIINJAHMVDTYIO-AEFFLSMTSA-N 0 0 426.460 4.655 50 0 IJAARN C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891133 569165756 /nfs/dbraw/zinc/16/57/56/569165756.db2.gz ZMUYOBKNTITZLC-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@@H](Sc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000016931038 569166675 /nfs/dbraw/zinc/16/66/75/569166675.db2.gz SKPFGARUFCSHDX-NWDGAFQWSA-N 0 0 426.307 4.639 50 0 IJAARN CC(=O)c1ccc2c(c1)CCN(C(=O)CCc1nc(-c3ccc(C(C)C)cc3)no1)CC2 ZINC000089893461 569166685 /nfs/dbraw/zinc/16/66/85/569166685.db2.gz DEAKXJXEWVIJTR-UHFFFAOYSA-N 0 0 431.536 4.623 50 0 IJAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1C ZINC000017011310 569170464 /nfs/dbraw/zinc/17/04/64/569170464.db2.gz QCRHHBIUDPFQGR-UHFFFAOYSA-N 0 0 436.986 4.610 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000017042557 569171618 /nfs/dbraw/zinc/17/16/18/569171618.db2.gz BSMJORANEOATLK-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)CCC2CCCC2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000017051092 569171914 /nfs/dbraw/zinc/17/19/14/569171914.db2.gz OTYYFEWEWCEXQL-UHFFFAOYSA-N 0 0 432.586 4.964 50 0 IJAARN COCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2C)oc1C ZINC000017136089 569174483 /nfs/dbraw/zinc/17/44/83/569174483.db2.gz HISKINPONRQWPS-UHFFFAOYSA-N 0 0 435.549 4.997 50 0 IJAARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000002093829 569179089 /nfs/dbraw/zinc/17/90/89/569179089.db2.gz FQQQCFFIDKOTJW-IBGZPJMESA-N 0 0 437.492 4.977 50 0 biogenic IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000002096939 569179256 /nfs/dbraw/zinc/17/92/56/569179256.db2.gz SBAFKRFWYODVML-DEOSSOPVSA-N 0 0 441.483 4.598 50 0 biogenic IJAARN CC[C@H](C)N1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002097268 569179442 /nfs/dbraw/zinc/17/94/42/569179442.db2.gz XDBHFLWZLDVQGE-VPWGAPMNSA-N 0 0 429.564 4.775 50 0 biogenic IJAARN O=C1CN(C2CCCCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002098484 569179456 /nfs/dbraw/zinc/17/94/56/569179456.db2.gz GWHMHHGEEABDRO-RCZVLFRGSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN CCc1cccc(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000002522394 569180950 /nfs/dbraw/zinc/18/09/50/569180950.db2.gz QXMUHBIGNZODQY-UHFFFAOYSA-N 0 0 441.622 4.958 50 0 IJAARN COc1cccc(Oc2c(C)oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)c1 ZINC000002107532 569181358 /nfs/dbraw/zinc/18/13/58/569181358.db2.gz HKTORJMPOVFCAU-UHFFFAOYSA-N 0 0 446.411 4.850 50 0 biogenic IJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]31C ZINC000002111368 569181972 /nfs/dbraw/zinc/18/19/72/569181972.db2.gz BJFHDLIDJDLRGY-OAQYLSRUSA-N 0 0 430.291 4.723 50 0 IJAARN CCCCCCN1CC(=O)N2[C@H](c3ccccc3C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002112710 569182082 /nfs/dbraw/zinc/18/20/82/569182082.db2.gz JQJGNHQLNMHENL-JYFHCDHNSA-N 0 0 429.564 4.742 50 0 biogenic IJAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002124863 569183918 /nfs/dbraw/zinc/18/39/18/569183918.db2.gz PBLJCUGLCDGDPV-UHFFFAOYSA-N 0 0 433.504 4.904 50 0 biogenic IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)nn1CC(=O)c1ccc(Br)cc1 ZINC000002520643 569185721 /nfs/dbraw/zinc/18/57/21/569185721.db2.gz JPDMKQVQGSPLAU-UHFFFAOYSA-N 0 0 431.261 4.511 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002147348 569186945 /nfs/dbraw/zinc/18/69/45/569186945.db2.gz CHLOWAFVTYPIIG-OAQYLSRUSA-N 0 0 437.492 4.835 50 0 biogenic IJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3Br)cc2oc1=O ZINC000002148645 569187094 /nfs/dbraw/zinc/18/70/94/569187094.db2.gz NAYGYUHCSTVDLC-UHFFFAOYSA-N 0 0 445.309 4.939 50 0 biogenic IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 ZINC000002149671 569187196 /nfs/dbraw/zinc/18/71/96/569187196.db2.gz UCOIVOZAVXMWFW-DEOSSOPVSA-N 0 0 443.455 4.675 50 0 biogenic IJAARN COc1ccccc1OCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC ZINC000002180101 569190237 /nfs/dbraw/zinc/19/02/37/569190237.db2.gz KJCNYLFJYKGQIQ-CAPFRKAQSA-N 0 0 445.471 4.506 50 0 IJAARN CC(C)[C@@H](CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000252571558 569191196 /nfs/dbraw/zinc/19/11/96/569191196.db2.gz YGDXEJHDGFFAEW-WIYYLYMNSA-N 0 0 441.959 4.766 50 0 IJAARN CCC(=O)Nc1ccc(-n2nc(OCCc3ccc(OC)cc3)nc2-c2ccco2)cc1 ZINC000037384991 569192206 /nfs/dbraw/zinc/19/22/06/569192206.db2.gz HTEUAVDKGYVYBD-UHFFFAOYSA-N 0 0 432.480 4.506 50 0 IJAARN O=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000037397116 569193075 /nfs/dbraw/zinc/19/30/75/569193075.db2.gz AHLMYFNAISNYBE-UHFFFAOYSA-N 0 0 447.922 4.716 50 0 IJAARN O=C(Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1cccnc1 ZINC000037397286 569193174 /nfs/dbraw/zinc/19/31/74/569193174.db2.gz PJAIQJZOZBOXMX-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN CCc1nc(C)nc(N2CCN(C(=O)c3cccs3)CC2)c1Cc1cc(C)ccc1C ZINC000037399053 569194323 /nfs/dbraw/zinc/19/43/23/569194323.db2.gz XUXSJOGNPQCJHU-UHFFFAOYSA-N 0 0 434.609 4.579 50 0 IJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)NC(C)(C)C ZINC000037399781 569194741 /nfs/dbraw/zinc/19/47/41/569194741.db2.gz REOJFKNZVWAWNI-QGZVFWFLSA-N 0 0 448.585 4.572 50 0 IJAARN O=C(CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2)n1)N1CCCC1 ZINC000037426255 569195741 /nfs/dbraw/zinc/19/57/41/569195741.db2.gz SVTPCZYSTZCVOI-UHFFFAOYSA-N 0 0 434.565 4.542 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](N[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000007664634 569197169 /nfs/dbraw/zinc/19/71/69/569197169.db2.gz MNWKOVXZYAPSDN-CJFMBICVSA-N 0 0 425.536 4.915 50 0 IJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1cccc(Br)c1 ZINC000037523260 569198261 /nfs/dbraw/zinc/19/82/61/569198261.db2.gz GDWOJAOOABMEAV-KRWDZBQOSA-N 0 0 449.348 4.994 50 0 IJAARN CC(C)[C@@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037524062 569198393 /nfs/dbraw/zinc/19/83/93/569198393.db2.gz HJAHWJLNOPRZFQ-QGZVFWFLSA-N 0 0 427.976 4.513 50 0 IJAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)[C@H](CC)c2ccccc2)CC1 ZINC000037525545 569198867 /nfs/dbraw/zinc/19/88/67/569198867.db2.gz OIRILLUQUVDXJJ-NFBKMPQASA-N 0 0 435.612 4.741 50 0 IJAARN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000037525203 569199005 /nfs/dbraw/zinc/19/90/05/569199005.db2.gz ILQWFLKOFCBGGB-UHFFFAOYSA-N 0 0 437.559 4.629 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccccc1F ZINC000037543089 569199497 /nfs/dbraw/zinc/19/94/97/569199497.db2.gz DMVFIKTUFYDZNW-ZDUSSCGKSA-N 0 0 437.334 4.562 50 0 IJAARN Cc1cccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3scc(Br)c32)c1 ZINC000037543621 569199579 /nfs/dbraw/zinc/19/95/79/569199579.db2.gz MQYWIRJGXRKEII-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547040 569199823 /nfs/dbraw/zinc/19/98/23/569199823.db2.gz KBQCWJNQOGPXDB-JOCHJYFZSA-N 0 0 437.515 4.648 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)c(C)c1 ZINC000002211209 569201216 /nfs/dbraw/zinc/20/12/16/569201216.db2.gz RZLJHHPKFJZOCC-MDZDMXLPSA-N 0 0 438.578 4.846 50 0 IJAARN Cc1ccccc1C(=O)N1CCO[C@H](CN(CC(C)C)C(=O)c2cccc3ccccc32)C1 ZINC000037607950 569202770 /nfs/dbraw/zinc/20/27/70/569202770.db2.gz KWLSYFAXHCQAIE-QHCPKHFHSA-N 0 0 444.575 4.788 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc32)c1 ZINC000002222576 569204767 /nfs/dbraw/zinc/20/47/67/569204767.db2.gz WLZRSFOQDAURCI-UHFFFAOYSA-N 0 0 448.935 4.951 50 0 IJAARN COc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)Nc2cccc(O)c2)cc1 ZINC000195757684 569205520 /nfs/dbraw/zinc/20/55/20/569205520.db2.gz VJKJFOCDFDVGSH-XYGWBWBKSA-N 0 0 438.483 4.964 50 0 IJAARN COc1ccc2[nH]c(CCN3C(=O)c4[nH]nc(-c5ccccc5)c4[C@H]3c3cccnc3)cc2c1 ZINC000066087586 569205727 /nfs/dbraw/zinc/20/57/27/569205727.db2.gz SPACFUINEQBVGB-AREMUKBSSA-N 0 0 449.514 4.750 50 0 IJAARN CCOc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCC ZINC000252670416 569209971 /nfs/dbraw/zinc/20/99/71/569209971.db2.gz KNFTYOJHOJIYNM-UHFFFAOYSA-N 0 0 428.941 4.525 50 0 IJAARN COc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1COc1ccccc1F ZINC000002233390 569210811 /nfs/dbraw/zinc/21/08/11/569210811.db2.gz OCYXTVCBFCGODC-ZHZULCJRSA-N 0 0 434.492 4.676 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12 ZINC000252694815 569211034 /nfs/dbraw/zinc/21/10/34/569211034.db2.gz QMADIFSEVWNINS-KESTWPANSA-N 0 0 449.503 4.740 50 0 biogenic IJAARN COc1ccc(CCNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1OC ZINC000002234594 569211449 /nfs/dbraw/zinc/21/14/49/569211449.db2.gz CCBTVNCZPQJZFH-UHFFFAOYSA-N 0 0 435.549 4.694 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1c1nccs1 ZINC000002245092 569213509 /nfs/dbraw/zinc/21/35/09/569213509.db2.gz IMAWCLBFFXCLFU-INIZCTEOSA-N 0 0 439.290 4.762 50 0 IJAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1cccc(C(F)(F)F)c1 ZINC000002245087 569213527 /nfs/dbraw/zinc/21/35/27/569213527.db2.gz DDDVMKJLUHUOMY-UHFFFAOYSA-N 0 0 439.441 4.847 50 0 IJAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002247807 569214658 /nfs/dbraw/zinc/21/46/58/569214658.db2.gz SXTZCLRBDPYPBY-UHFFFAOYSA-N 0 0 441.922 4.798 50 0 IJAARN CCCCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC)C(=O)O2)cc1 ZINC000027519684 569218218 /nfs/dbraw/zinc/21/82/18/569218218.db2.gz FIEDXFWIFJGXOW-AQTBWJFISA-N 0 0 430.298 4.981 50 0 IJAARN Cc1c(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001032956 569256528 /nfs/dbraw/zinc/25/65/28/569256528.db2.gz XINOAZQSXDBOCF-UHFFFAOYSA-N 0 0 428.492 4.707 50 0 IJAARN CC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C[C@@H](c1cccc(Br)c1)N2 ZINC000169055341 569258876 /nfs/dbraw/zinc/25/88/76/569258876.db2.gz JIJWPFJOTYHESL-IBGZPJMESA-N 0 0 437.403 4.970 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000002284542 569263697 /nfs/dbraw/zinc/26/36/97/569263697.db2.gz LQIDFRGDSINPPB-FXSPECFOSA-N 0 0 428.488 4.527 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc2c1OCO2 ZINC000253399668 569264774 /nfs/dbraw/zinc/26/47/74/569264774.db2.gz DEKIJAHTYGAYRE-QGZVFWFLSA-N 0 0 442.423 4.638 50 0 biogenic IJAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc(OC)c1O ZINC000253399979 569264816 /nfs/dbraw/zinc/26/48/16/569264816.db2.gz DNLCHNBAJUVYQQ-KRWDZBQOSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1OC ZINC000253408788 569265536 /nfs/dbraw/zinc/26/55/36/569265536.db2.gz LBPIBFZHWHHHHR-GOSISDBHSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1OC ZINC000253408791 569265591 /nfs/dbraw/zinc/26/55/91/569265591.db2.gz LBPIBFZHWHHHHR-SFHVURJKSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN O=C1C[C@H](c2ccc3c(c2)OCCO3)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253410124 569265712 /nfs/dbraw/zinc/26/57/12/569265712.db2.gz MWHJMHMLWIWGKD-GOSISDBHSA-N 0 0 426.424 4.672 50 0 biogenic IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cnoc3-c3ccc(F)cc3Cl)C[C@H]12 ZINC000253418307 569266628 /nfs/dbraw/zinc/26/66/28/569266628.db2.gz LQLHDFORJLYJLM-PZPSRYQVSA-N 0 0 449.910 4.509 50 0 IJAARN Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002290845 569267898 /nfs/dbraw/zinc/26/78/98/569267898.db2.gz KBOZCLCRZSSPPC-UHFFFAOYSA-N 0 0 427.895 4.739 50 0 IJAARN Cc1nn(-c2nnc3c4cc(Br)ccc4n(C)c3n2)c(C)c1Cc1ccccc1 ZINC000002306261 569271808 /nfs/dbraw/zinc/27/18/08/569271808.db2.gz SSLGVMAPSJVCKL-UHFFFAOYSA-N 0 0 447.340 4.672 50 0 IJAARN COC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002322791 569274236 /nfs/dbraw/zinc/27/42/36/569274236.db2.gz JFVJSYGTSHAJNU-MRXNPFEDSA-N 0 0 437.201 4.560 50 0 IJAARN CCOC(=O)c1c(N)n(-c2ccc(OCc3ccccc3)cc2)c2nc3ccccc3nc21 ZINC000002332290 569274696 /nfs/dbraw/zinc/27/46/96/569274696.db2.gz UYSOXMKGZIVDDH-UHFFFAOYSA-N 0 0 438.487 4.912 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253502019 569283511 /nfs/dbraw/zinc/28/35/11/569283511.db2.gz WOJKRRDDERNLBU-GZZBVXCOSA-N 0 0 430.629 4.973 50 0 IJAARN CC(C)(C)NC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 ZINC000002379907 569290095 /nfs/dbraw/zinc/29/00/95/569290095.db2.gz ASIIWSMEYCFEIB-UHFFFAOYSA-N 0 0 445.386 4.704 50 0 IJAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1[S@](=O)Cc1ccc(Cl)cc1 ZINC000008873928 569291814 /nfs/dbraw/zinc/29/18/14/569291814.db2.gz FGKJQNNYNNKEMD-LJAQVGFWSA-N 0 0 443.878 4.857 50 0 IJAARN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000002388543 569295844 /nfs/dbraw/zinc/29/58/44/569295844.db2.gz WXTVLMBIOVVIQI-UHFFFAOYSA-N 0 0 435.940 4.710 50 0 IJAARN CCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027756343 569296796 /nfs/dbraw/zinc/29/67/96/569296796.db2.gz NSXAYDFQRSOISN-VWLOTQADSA-N 0 0 447.600 4.597 50 0 IJAARN O=C(C=Cc1cccc(Cl)c1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009990643 569298949 /nfs/dbraw/zinc/29/89/49/569298949.db2.gz DAWQDVSTFIXDJV-FNORWQNLSA-N 0 0 446.330 4.899 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002406320 569300217 /nfs/dbraw/zinc/30/02/17/569300217.db2.gz XXBDBVVWEIRXMO-VGSWGCGISA-N 0 0 435.545 4.856 50 0 IJAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1 ZINC000002409664 569300496 /nfs/dbraw/zinc/30/04/96/569300496.db2.gz SJSRDBPLJHHJER-UHFFFAOYSA-N 0 0 425.467 4.801 50 0 IJAARN CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(-c2cc(OC)cc(OC)c2)n1 ZINC000002414116 569301248 /nfs/dbraw/zinc/30/12/48/569301248.db2.gz HABKMXKHHPPYPC-UHFFFAOYSA-N 0 0 433.464 4.890 50 0 IJAARN COc1cc(C)c(Cl)cc1S(=O)(=O)n1c2ccccc2nc1Cc1ccccc1 ZINC000027823368 569301631 /nfs/dbraw/zinc/30/16/31/569301631.db2.gz ZEEOUYVHRRAFTM-UHFFFAOYSA-N 0 0 426.925 4.835 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000011991134 569303398 /nfs/dbraw/zinc/30/33/98/569303398.db2.gz FZEYGEAAKVKRMT-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002435266 569303725 /nfs/dbraw/zinc/30/37/25/569303725.db2.gz BHPIJXRTBMRPLA-FQEVSTJZSA-N 0 0 447.516 4.607 50 0 IJAARN COc1ccc(C(=O)[C@@H]2O[C@H]2c2ccc3c(c2)OCCCO3)c(OCc2ccccc2)c1 ZINC000002436922 569303837 /nfs/dbraw/zinc/30/38/37/569303837.db2.gz LCZGXRQMRWGKLA-UIOOFZCWSA-N 0 0 432.472 4.758 50 0 IJAARN COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 ZINC000002437802 569303946 /nfs/dbraw/zinc/30/39/46/569303946.db2.gz UJAAVYJJOOZKGA-UHFFFAOYSA-N 0 0 440.219 4.888 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1c1nc2ccc(F)cc2s1 ZINC000002445283 569304373 /nfs/dbraw/zinc/30/43/73/569304373.db2.gz RTABLPSEMBPSDY-HXUWFJFHSA-N 0 0 444.443 4.997 50 0 IJAARN COc1ccc(S(=O)(=O)n2ccc(-c3ccccc3OCc3ccc(F)cc3)n2)cc1 ZINC000012952313 569305185 /nfs/dbraw/zinc/30/51/85/569305185.db2.gz OYVUBJSOQWNRKZ-UHFFFAOYSA-N 0 0 438.480 4.514 50 0 IJAARN COc1ccc(CN(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1OC ZINC000013016183 569307149 /nfs/dbraw/zinc/30/71/49/569307149.db2.gz LYFXWTWGYCVCFG-UHFFFAOYSA-N 0 0 436.508 4.575 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)NC(=O)NC1CCCC1)cc2-c1ccccc1 ZINC000013015337 569307173 /nfs/dbraw/zinc/30/71/73/569307173.db2.gz NPGKKSIBSFUMSK-UHFFFAOYSA-N 0 0 435.549 4.771 50 0 IJAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)N[C@@H]1CCCc2ccccc21 ZINC000013018028 569307262 /nfs/dbraw/zinc/30/72/62/569307262.db2.gz PYPLXMKWPVBEEE-SMLSOGCJSA-N 0 0 445.650 4.726 50 0 IJAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000013072683 569309088 /nfs/dbraw/zinc/30/90/88/569309088.db2.gz LMKJXEGZBKGWPL-QGZVFWFLSA-N 0 0 435.351 4.870 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1 ZINC000013095361 569309362 /nfs/dbraw/zinc/30/93/62/569309362.db2.gz FYRVCKRTAJVEDX-IAGOWNOFSA-N 0 0 443.927 4.548 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000013096445 569309587 /nfs/dbraw/zinc/30/95/87/569309587.db2.gz LGZJUABHDKVPLC-UWJYYQICSA-N 0 0 444.597 4.928 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000013096446 569309604 /nfs/dbraw/zinc/30/96/04/569309604.db2.gz LGZJUABHDKVPLC-DYESRHJHSA-N 0 0 444.597 4.928 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 ZINC000013098759 569309913 /nfs/dbraw/zinc/30/99/13/569309913.db2.gz VLENHYYOZVQDLQ-UHFFFAOYSA-N 0 0 446.551 4.849 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)Cc3ccc(Cl)cc3)c(=O)c12 ZINC000013114295 569310696 /nfs/dbraw/zinc/31/06/96/569310696.db2.gz ITGBXNHAYBPSML-UHFFFAOYSA-N 0 0 437.952 4.745 50 0 IJAARN COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@@H](C)C3 ZINC000013115870 569310915 /nfs/dbraw/zinc/31/09/15/569310915.db2.gz XSXPCAHBBMDPIO-HIFRSBDPSA-N 0 0 442.606 4.842 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)cc1 ZINC000013149555 569312276 /nfs/dbraw/zinc/31/22/76/569312276.db2.gz WFEMSKHWDQYEBJ-UHFFFAOYSA-N 0 0 429.472 4.533 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456680 569312893 /nfs/dbraw/zinc/31/28/93/569312893.db2.gz FYSIDOPODCYQKE-OAQYLSRUSA-N 0 0 439.284 4.772 50 0 IJAARN CCc1ccc(NC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000013354547 569313417 /nfs/dbraw/zinc/31/34/17/569313417.db2.gz RDFVPKARMBCYSS-UHFFFAOYSA-N 0 0 448.592 4.933 50 0 IJAARN CCC(=O)Nc1nc2cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2s1 ZINC000013353805 569313470 /nfs/dbraw/zinc/31/34/70/569313470.db2.gz OWTWDDOPSBDIMB-UHFFFAOYSA-N 0 0 434.905 4.959 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2F)cc1 ZINC000013366856 569314379 /nfs/dbraw/zinc/31/43/79/569314379.db2.gz BNCVRAAKXUCIQB-FQEVSTJZSA-N 0 0 442.288 4.759 50 0 IJAARN CCC(CC)c1nn2c(nc(COc3ccc(NC(=O)CC(C)C)cc3)cc2=O)s1 ZINC000013368325 569314562 /nfs/dbraw/zinc/31/45/62/569314562.db2.gz NBMJXMMHEJMPPR-UHFFFAOYSA-N 0 0 428.558 4.618 50 0 IJAARN Cc1cc2nc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc(=O)n2o1 ZINC000013368504 569314631 /nfs/dbraw/zinc/31/46/31/569314631.db2.gz LZBSGYBQGJIQSL-UHFFFAOYSA-N 0 0 431.492 4.725 50 0 IJAARN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000328590608 569316833 /nfs/dbraw/zinc/31/68/33/569316833.db2.gz GTZAPNSSIDYSKH-JOCHJYFZSA-N 0 0 433.577 4.974 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccccc2C)c(OC)c1 ZINC000328600774 569318094 /nfs/dbraw/zinc/31/80/94/569318094.db2.gz ZRSTXFYDLNHQMC-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(OC(C)C)CC2)c1 ZINC000078796739 569318996 /nfs/dbraw/zinc/31/89/96/569318996.db2.gz UDECFORQXKYHJV-UHFFFAOYSA-N 0 0 433.552 4.637 50 0 IJAARN CC(=O)N(c1nc(CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)cs1)C1CC1 ZINC000079051245 569323435 /nfs/dbraw/zinc/32/34/35/569323435.db2.gz HOUNTSMLTYRVOM-GFCCVEGCSA-N 0 0 436.375 4.517 50 0 IJAARN CCCCc1cc2c(cc1OC(=O)[C@H](N)[C@H](C)CC)occ(-c1csc(C)n1)c2=O ZINC000019702901 569327321 /nfs/dbraw/zinc/32/73/21/569327321.db2.gz RRRLTDPGJYSFPY-LRTDBIEQSA-N 0 0 428.554 4.846 50 0 biogenic IJAARN O=C(COc1ccccc1Cl)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 ZINC000019855237 569330463 /nfs/dbraw/zinc/33/04/63/569330463.db2.gz PIWCZXSVRGKNJZ-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccccc1 ZINC000020036292 569332764 /nfs/dbraw/zinc/33/27/64/569332764.db2.gz CZAMFFNXSNWZJI-FYJGNVAPSA-N 0 0 432.451 4.506 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@H]1c1ccc(F)cc1 ZINC000020133897 569335544 /nfs/dbraw/zinc/33/55/44/569335544.db2.gz FWZSAMCZIPLBFD-IBGZPJMESA-N 0 0 442.491 4.701 50 0 IJAARN CC[C@@H](C(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C)c1ccccc1 ZINC000020153346 569353441 /nfs/dbraw/zinc/35/34/41/569353441.db2.gz LSBUVOQPPIIJHN-HXUWFJFHSA-N 0 0 440.565 4.879 50 0 IJAARN Cc1cc(OC2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)nc(C)n1 ZINC000390826386 569353887 /nfs/dbraw/zinc/35/38/87/569353887.db2.gz JQINCBRVOCILAX-UHFFFAOYSA-N 0 0 428.492 4.585 50 0 IJAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390828860 569354068 /nfs/dbraw/zinc/35/40/68/569354068.db2.gz BZIJPEYBUNQCTF-OAQYLSRUSA-N 0 0 429.538 4.556 50 0 IJAARN CCOCCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000020179870 569354941 /nfs/dbraw/zinc/35/49/41/569354941.db2.gz LGJQUQOCCHJLSS-MOSHPQCFSA-N 0 0 430.957 4.606 50 0 IJAARN COc1ccc(CNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)cc1 ZINC000020181145 569355316 /nfs/dbraw/zinc/35/53/16/569355316.db2.gz ASXOEKCURREVNG-UCQKPKSFSA-N 0 0 448.519 4.631 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000020241176 569357914 /nfs/dbraw/zinc/35/79/14/569357914.db2.gz QBYDWKHPQWZEMO-MRXNPFEDSA-N 0 0 438.549 4.840 50 0 IJAARN COc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000020241835 569358069 /nfs/dbraw/zinc/35/80/69/569358069.db2.gz VDZNAOUMJMAPGC-NRFANRHFSA-N 0 0 429.564 4.508 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020319185 569360040 /nfs/dbraw/zinc/36/00/40/569360040.db2.gz BHONVZTYVQIXDR-OAQYLSRUSA-N 0 0 438.325 4.928 50 0 IJAARN Cc1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000020379963 569362495 /nfs/dbraw/zinc/36/24/95/569362495.db2.gz DKCXKFAOWAOPNI-MRXNPFEDSA-N 0 0 429.847 4.625 50 0 IJAARN Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)O2 ZINC000020379771 569362519 /nfs/dbraw/zinc/36/25/19/569362519.db2.gz OUSWOOHFRPCGBX-NRFANRHFSA-N 0 0 434.879 4.608 50 0 IJAARN C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21)N1CCOCC1 ZINC000080345995 569362749 /nfs/dbraw/zinc/36/27/49/569362749.db2.gz ICRSVUHABOKZRD-INIZCTEOSA-N 0 0 449.942 4.738 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020417004 569364684 /nfs/dbraw/zinc/36/46/84/569364684.db2.gz XDIRTBFXJLDSIA-YZZKKUAISA-N 0 0 434.584 4.525 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccccc2)c2ccccc21 ZINC000020438803 569365544 /nfs/dbraw/zinc/36/55/44/569365544.db2.gz FMVIOOOCGPCPQK-JLPGSUDCSA-N 0 0 441.506 4.888 50 0 IJAARN COc1cc([C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C(F)(F)F)cc(OC)c1OC ZINC000095466233 569370916 /nfs/dbraw/zinc/37/09/16/569370916.db2.gz WSKZOAROTGMYRS-QFIPXVFZSA-N 0 0 437.458 4.554 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095481638 569374079 /nfs/dbraw/zinc/37/40/79/569374079.db2.gz IGXIEKUORPHYFC-UHFFFAOYSA-N 0 0 438.734 4.561 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCCCO3)C[C@@H](CC)CC2 ZINC000095482106 569374185 /nfs/dbraw/zinc/37/41/85/569374185.db2.gz WADMJDSTHNHNNJ-AWEZNQCLSA-N 0 0 429.538 4.853 50 0 IJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)c(C)n1C1CC1 ZINC000095628183 569375022 /nfs/dbraw/zinc/37/50/22/569375022.db2.gz RJVKKSHTHIULEW-UHFFFAOYSA-N 0 0 444.560 4.817 50 0 IJAARN Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095973678 569377463 /nfs/dbraw/zinc/37/74/63/569377463.db2.gz RCVVFWKAQJBGAJ-CQSZACIVSA-N 0 0 428.510 4.620 50 0 IJAARN Cc1cc(Br)cc(I)c1NC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000096013047 569380222 /nfs/dbraw/zinc/38/02/22/569380222.db2.gz WGFKIMCTANJRTM-GHMZBOCLSA-N 0 0 449.130 4.626 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1ccc(F)c(F)c1F)C(=O)OC2 ZINC000096115585 569383273 /nfs/dbraw/zinc/38/32/73/569383273.db2.gz HXPRSVJVIJGADP-NYYWCZLTSA-N 0 0 449.425 4.705 50 0 biogenic IJAARN Cc1c(C(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cnn1-c1ccccc1 ZINC000096119660 569384829 /nfs/dbraw/zinc/38/48/29/569384829.db2.gz ZUXYCFWDRKXJPF-UHFFFAOYSA-N 0 0 425.448 4.667 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1)c1ccco1 ZINC000096203351 569386326 /nfs/dbraw/zinc/38/63/26/569386326.db2.gz WQSOPQHECYGSLX-QGZVFWFLSA-N 0 0 438.281 4.806 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(Cl)cc12 ZINC000096231230 569387474 /nfs/dbraw/zinc/38/74/74/569387474.db2.gz SFFSFTVNQWWJFS-QFIPXVFZSA-N 0 0 439.899 4.523 50 0 IJAARN Cc1cc(OCC(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000096230670 569387484 /nfs/dbraw/zinc/38/74/84/569387484.db2.gz GDUSVJZVUHLULS-OAQYLSRUSA-N 0 0 442.515 4.644 50 0 IJAARN COc1cc(OC)cc(-c2noc(CCN(C(=O)c3ccccc3)C3CCCCC3)n2)c1 ZINC000096276263 569388486 /nfs/dbraw/zinc/38/84/86/569388486.db2.gz RCSWMDCKMSFLFQ-UHFFFAOYSA-N 0 0 435.524 4.771 50 0 IJAARN Cc1ccc(-c2noc(CCN(CC(C)C)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000096278324 569389085 /nfs/dbraw/zinc/38/90/85/569389085.db2.gz NDAKGFYMIOQXDA-UHFFFAOYSA-N 0 0 427.932 4.805 50 0 IJAARN Cc1ccc(-c2noc(CCN(CC(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000096278378 569389111 /nfs/dbraw/zinc/38/91/11/569389111.db2.gz UJXXLAJCJYQKFE-UHFFFAOYSA-N 0 0 433.961 4.588 50 0 IJAARN CC(C)N(CCN1C(=O)CS[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)C ZINC000096279248 569389298 /nfs/dbraw/zinc/38/92/98/569389298.db2.gz ZNRGBNSLVJTPFI-QGZVFWFLSA-N 0 0 432.417 4.786 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2ccc(C)cc2o1 ZINC000096279282 569389313 /nfs/dbraw/zinc/38/93/13/569389313.db2.gz YKJCCZXKFCEHLQ-UHFFFAOYSA-N 0 0 443.502 4.727 50 0 IJAARN CCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2ccccc2o1 ZINC000096279145 569389335 /nfs/dbraw/zinc/38/93/35/569389335.db2.gz HMDSOSRJBHBVQR-UHFFFAOYSA-N 0 0 437.473 4.748 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)Nc1ccccc1OC ZINC000096279806 569389476 /nfs/dbraw/zinc/38/94/76/569389476.db2.gz KJHOWMZKFKOJGO-GOSISDBHSA-N 0 0 435.572 4.994 50 0 IJAARN O=C(NCc1ccco1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000096280517 569389535 /nfs/dbraw/zinc/38/95/35/569389535.db2.gz QKKSREUBXWHHSX-HTAPYJJXSA-N 0 0 439.462 4.859 50 0 IJAARN COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000096280766 569389655 /nfs/dbraw/zinc/38/96/55/569389655.db2.gz RKKACCQDGMIBMK-UHFFFAOYSA-N 0 0 429.520 4.671 50 0 IJAARN COc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Br)cc1 ZINC000096286803 569390222 /nfs/dbraw/zinc/39/02/22/569390222.db2.gz QOYFQELODHKKNO-INIZCTEOSA-N 0 0 443.160 4.999 50 0 IJAARN COc1ccc(-n2c(SCc3ccccc3C(=O)N3CCCC3)nnc2C(C)C)cc1 ZINC000096288386 569390440 /nfs/dbraw/zinc/39/04/40/569390440.db2.gz MZLWJUSFTKWJAR-UHFFFAOYSA-N 0 0 436.581 4.928 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(C(=O)NC(C)C)C(C)C)c1 ZINC000096290510 569390955 /nfs/dbraw/zinc/39/09/55/569390955.db2.gz YCJPVNUYKDPHJW-UHFFFAOYSA-N 0 0 438.977 4.745 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000096293735 569391632 /nfs/dbraw/zinc/39/16/32/569391632.db2.gz WSTQBAFMCDLEBD-LJQANCHMSA-N 0 0 435.307 4.586 50 0 IJAARN CC[C@@H](C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)c1ccccc1Cl ZINC000096293554 569391704 /nfs/dbraw/zinc/39/17/04/569391704.db2.gz YKRHAXQSKVRQCU-CQSZACIVSA-N 0 0 427.888 4.602 50 0 IJAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)[C@@H](C)CC ZINC000096294711 569391895 /nfs/dbraw/zinc/39/18/95/569391895.db2.gz LCWDJZZPWIFGKN-INIZCTEOSA-N 0 0 438.977 4.746 50 0 IJAARN O=C(Nc1cccc(F)c1)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323802 569395481 /nfs/dbraw/zinc/39/54/81/569395481.db2.gz UHKLEFLNJNAJLU-UHFFFAOYSA-N 0 0 427.892 4.841 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323830 569395517 /nfs/dbraw/zinc/39/55/17/569395517.db2.gz ZYVXQCGTFJEISV-UHFFFAOYSA-N 0 0 437.500 4.504 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2OC)C12CCCC2 ZINC000096344598 569397016 /nfs/dbraw/zinc/39/70/16/569397016.db2.gz DPTHWLYKCJIVGL-XMMPIXPASA-N 0 0 434.580 4.706 50 0 IJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(F)cc2Cl)no1 ZINC000096349759 569397329 /nfs/dbraw/zinc/39/73/29/569397329.db2.gz AFZTYNIHFKFGHM-UHFFFAOYSA-N 0 0 426.879 4.942 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000096386635 569398673 /nfs/dbraw/zinc/39/86/73/569398673.db2.gz NFRSYEQWGCYRRD-UHFFFAOYSA-N 0 0 435.553 4.740 50 0 IJAARN COc1cccc(-c2cc(C3CCN(C(=O)c4ccc(Br)cc4)CC3)[nH]n2)c1 ZINC000096386771 569398684 /nfs/dbraw/zinc/39/86/84/569398684.db2.gz XSQIATLERFIGDE-UHFFFAOYSA-N 0 0 440.341 4.868 50 0 IJAARN CCOc1cc(C(=O)Nc2n[nH]c(C)c2-c2ccc(F)cc2)cc(OCC)c1OCC ZINC000096398986 569399763 /nfs/dbraw/zinc/39/97/63/569399763.db2.gz QRQIXDMSEGPHPW-UHFFFAOYSA-N 0 0 427.476 4.973 50 0 IJAARN CC(C)c1cccc(NC(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)c1 ZINC000096399487 569400004 /nfs/dbraw/zinc/40/00/04/569400004.db2.gz AEHQANDDGVHNLC-UHFFFAOYSA-N 0 0 435.596 4.522 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1C ZINC000021811260 569400713 /nfs/dbraw/zinc/40/07/13/569400713.db2.gz WFUONMGBGYEQAI-OWWOZPERSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000021811198 569400732 /nfs/dbraw/zinc/40/07/32/569400732.db2.gz HELZKSXTUDWZRA-MIRXNBLZSA-N 0 0 433.552 4.965 50 0 IJAARN O=C([C@H]1Cc2ccccc2N2CCCC[C@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096457177 569400734 /nfs/dbraw/zinc/40/07/34/569400734.db2.gz CSFKRYNIGQQFFV-JTHBVZDNSA-N 0 0 443.513 4.585 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000021811529 569400805 /nfs/dbraw/zinc/40/08/05/569400805.db2.gz NWUOFYWRLABIDJ-IWAORQPKSA-N 0 0 447.579 4.898 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000021811227 569400806 /nfs/dbraw/zinc/40/08/06/569400806.db2.gz FKMQTRPFDWUEJC-ZTEVPRNISA-N 0 0 433.552 4.652 50 0 IJAARN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O ZINC000096476071 569400879 /nfs/dbraw/zinc/40/08/79/569400879.db2.gz KNMVOTIMQHMKKC-JAIQZWGSSA-N 0 0 437.496 4.864 50 0 IJAARN C[C@@H]1C(=O)Nc2cc(C(=O)N[C@@H](CC(F)(F)F)c3ccc(Cl)cc3)ccc2N1C ZINC000097031966 569403020 /nfs/dbraw/zinc/40/30/20/569403020.db2.gz CWYQBCAAWVCLKE-BZNIZROVSA-N 0 0 425.838 4.540 50 0 IJAARN Cc1sc2ncnc(SCC(=O)Nc3nsc(-c4ccc(C)cc4)n3)c2c1C ZINC000002500595 569405890 /nfs/dbraw/zinc/40/58/90/569405890.db2.gz WLQNYCOEXQCUKU-UHFFFAOYSA-N 0 0 427.580 4.866 50 0 IJAARN Cc1cc(C(=O)CSc2nnc3nc(C)cc(C)n32)c(C)n1CCc1ccc(F)cc1 ZINC000002618564 569410504 /nfs/dbraw/zinc/41/05/04/569410504.db2.gz ZWIHSLLLBVFJNA-UHFFFAOYSA-N 0 0 437.544 4.516 50 0 IJAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C(C)C)cc1 ZINC000002618809 569410514 /nfs/dbraw/zinc/41/05/14/569410514.db2.gz YJJGTKMPURAPCD-DEOSSOPVSA-N 0 0 432.520 4.667 50 0 IJAARN CCCn1nnc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)n1 ZINC000002622235 569411150 /nfs/dbraw/zinc/41/11/50/569411150.db2.gz CEBBVABLFGJOLQ-UHFFFAOYSA-N 0 0 436.343 4.980 50 0 IJAARN Cc1sc2nc(SCC(=O)N(C)c3ccccc3)n(C3CCCC3)c(=O)c2c1C ZINC000002650702 569414892 /nfs/dbraw/zinc/41/48/92/569414892.db2.gz WMGBTQJOYMNBMH-UHFFFAOYSA-N 0 0 427.595 4.945 50 0 IJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)c1C ZINC000002657959 569415647 /nfs/dbraw/zinc/41/56/47/569415647.db2.gz DHMFMKRSVIAXAK-CYBMUJFWSA-N 0 0 448.976 4.734 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)cc1 ZINC000002660363 569415975 /nfs/dbraw/zinc/41/59/75/569415975.db2.gz XOMGDJXUMQYDBS-SFHVURJKSA-N 0 0 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CC(=O)c1ccc(NC(=O)[C@H](C)SC2=N[C@@H](C(C)C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000003249277 569442876 /nfs/dbraw/zinc/44/28/76/569442876.db2.gz FXKNDJMOWPJUOF-UWJYYQICSA-N 0 0 437.565 4.685 50 0 IJAARN O=C(COC(=O)Cc1ccc(Br)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000003254555 569443014 /nfs/dbraw/zinc/44/30/14/569443014.db2.gz NFCCJWFVKJKRBL-UHFFFAOYSA-N 0 0 440.293 4.966 50 0 IJAARN CCc1ccc(OCc2nnc(SCC(=O)N3CCCC[C@@H]3C)n2CC(C)C)cc1 ZINC000003263397 569443304 /nfs/dbraw/zinc/44/33/04/569443304.db2.gz PMNQHFFWBGXQFS-SFHVURJKSA-N 0 0 430.618 4.569 50 0 IJAARN Cc1cc2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2c2ccccc12 ZINC000003274187 569443650 /nfs/dbraw/zinc/44/36/50/569443650.db2.gz PYOAIWXENPRPCP-UHFFFAOYSA-N 0 0 445.317 4.823 50 0 IJAARN O=C(OCn1nnc2ccccc2c1=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003279209 569443818 /nfs/dbraw/zinc/44/38/18/569443818.db2.gz FHNQNFQVYZBLRS-UHFFFAOYSA-N 0 0 449.532 4.918 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccccc1OC(F)F ZINC000003288442 569444177 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Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058021479 569445437 /nfs/dbraw/zinc/44/54/37/569445437.db2.gz DNUXFHGTDRYRIE-UHFFFAOYSA-N 0 0 440.897 4.611 50 0 IJAARN CC[C@H](C)c1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 ZINC000003314821 569445648 /nfs/dbraw/zinc/44/56/48/569445648.db2.gz RNEZDKGISILZLQ-KRWDZBQOSA-N 0 0 444.528 4.762 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000003340438 569446840 /nfs/dbraw/zinc/44/68/40/569446840.db2.gz UEVAHWXLIMFTHY-DEOSSOPVSA-N 0 0 434.561 4.709 50 0 IJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000003344265 569447056 /nfs/dbraw/zinc/44/70/56/569447056.db2.gz YOHHBNAHSBERNL-GFCCVEGCSA-N 0 0 449.594 4.777 50 0 IJAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003346301 569447091 /nfs/dbraw/zinc/44/70/91/569447091.db2.gz XAKYLZJRMQLINE-UHFFFAOYSA-N 0 0 439.286 4.523 50 0 IJAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000003351699 569447364 /nfs/dbraw/zinc/44/73/64/569447364.db2.gz ATTPNEBUYFAOQT-UHFFFAOYSA-N 0 0 438.880 4.652 50 0 IJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000003350541 569447373 /nfs/dbraw/zinc/44/73/73/569447373.db2.gz CYPIDVAXBURASB-UHFFFAOYSA-N 0 0 437.565 4.736 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccncc1 ZINC000003351442 569447375 /nfs/dbraw/zinc/44/73/75/569447375.db2.gz XQVAWCFSWRGRJA-NSHDSACASA-N 0 0 437.356 4.571 50 0 IJAARN CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1cnccn1 ZINC000003355801 569447616 /nfs/dbraw/zinc/44/76/16/569447616.db2.gz DQUGKCCMKRENMB-OAQYLSRUSA-N 0 0 444.564 4.844 50 0 IJAARN CCc1cc2c(CSc3nnc(Nc4ccc(OC)cc4)s3)cc(=O)oc2cc1O ZINC000003372497 569448523 /nfs/dbraw/zinc/44/85/23/569448523.db2.gz AOFFIXWNXRMGMA-UHFFFAOYSA-N 0 0 441.534 4.957 50 0 IJAARN Cc1nc2sc3c(c2c(NCC(=O)Nc2ccccc2Br)n1)CC[C@H](C)C3 ZINC000003380236 569448767 /nfs/dbraw/zinc/44/87/67/569448767.db2.gz JFXPUXDKTYQIPN-NSHDSACASA-N 0 0 445.386 4.938 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 ZINC000003387105 569449040 /nfs/dbraw/zinc/44/90/40/569449040.db2.gz UOWPOJYKDQXBTE-UHFFFAOYSA-N 0 0 434.561 4.988 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000058171852 569449691 /nfs/dbraw/zinc/44/96/91/569449691.db2.gz RSHKBCKBQYZQDO-BSRJHKFKSA-N 0 0 436.577 4.826 50 0 IJAARN COc1ccc(-c2nc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)sc2C)cc1 ZINC000030857737 569449802 /nfs/dbraw/zinc/44/98/02/569449802.db2.gz JSHQVQYQLGORTH-QGZVFWFLSA-N 0 0 441.578 4.822 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003406031 569449942 /nfs/dbraw/zinc/44/99/42/569449942.db2.gz DVJRWDRCVUZETM-UHFFFAOYSA-N 0 0 430.533 4.806 50 0 IJAARN Cc1c(Cl)cccc1-n1c(SCC(=O)N[C@@H](C)C(C)C)nnc1-c1ccncc1 ZINC000003417714 569450331 /nfs/dbraw/zinc/45/03/31/569450331.db2.gz DBMPYGZGLKXVPJ-HNNXBMFYSA-N 0 0 429.977 4.544 50 0 IJAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ncc(Cl)c(Cl)c1Cl ZINC000003429354 569450715 /nfs/dbraw/zinc/45/07/15/569450715.db2.gz RRFHAOWXSJCGOG-UHFFFAOYSA-N 0 0 440.695 4.621 50 0 IJAARN CC(C)CCOc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000003431273 569450886 /nfs/dbraw/zinc/45/08/86/569450886.db2.gz TZBIDRHJVNBAQB-UHFFFAOYSA-N 0 0 439.508 4.949 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000003434178 569450994 /nfs/dbraw/zinc/45/09/94/569450994.db2.gz GJYXRGBIXMURLR-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 ZINC000003442526 569451312 /nfs/dbraw/zinc/45/13/12/569451312.db2.gz IMHGDQHSKCFABB-HHHXNRCGSA-N 0 0 449.595 4.578 50 0 IJAARN CCc1cccc(CC)c1-n1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 ZINC000003480151 569452304 /nfs/dbraw/zinc/45/23/04/569452304.db2.gz PADPPPBXOCTMMZ-UHFFFAOYSA-N 0 0 435.597 4.605 50 0 IJAARN CCCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000003504186 569452859 /nfs/dbraw/zinc/45/28/59/569452859.db2.gz VEIORJIZEUPHPL-OAHLLOKOSA-N 0 0 429.991 4.643 50 0 IJAARN COc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc(OC)c1Br ZINC000031088272 569453335 /nfs/dbraw/zinc/45/33/35/569453335.db2.gz GSAQZEJXABUWNU-UHFFFAOYSA-N 0 0 432.236 4.757 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C ZINC000003552681 569453817 /nfs/dbraw/zinc/45/38/17/569453817.db2.gz OTNXPTGOFSJYFG-OAQYLSRUSA-N 0 0 433.581 4.795 50 0 IJAARN CC[C@@H](c1nnc(SCc2nnc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C ZINC000003552210 569453834 /nfs/dbraw/zinc/45/38/34/569453834.db2.gz VJVQOQATLCGTDL-IBGZPJMESA-N 0 0 434.569 4.681 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003560515 569454112 /nfs/dbraw/zinc/45/41/12/569454112.db2.gz NAVTYPUYDPJYFQ-HNNXBMFYSA-N 0 0 427.957 4.761 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)CC2 ZINC000031239735 569455106 /nfs/dbraw/zinc/45/51/06/569455106.db2.gz TWMORWUATHNXIC-UHFFFAOYSA-N 0 0 435.907 4.787 50 0 IJAARN CCCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000031263006 569455280 /nfs/dbraw/zinc/45/52/80/569455280.db2.gz LULBCSJCEPFOSZ-UHFFFAOYSA-N 0 0 425.348 4.552 50 0 IJAARN CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003654202 569455776 /nfs/dbraw/zinc/45/57/76/569455776.db2.gz KVHRHOZCBLWLTK-UHFFFAOYSA-N 0 0 446.333 4.539 50 0 IJAARN CCOc1ccccc1C(=O)NCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031391339 569456263 /nfs/dbraw/zinc/45/62/63/569456263.db2.gz YFBXIBNHGIFIQS-LJQANCHMSA-N 0 0 437.565 4.569 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)Nc3nnc(C(F)(F)F)s3)c2oc1-c1ccccc1 ZINC000031564585 569456783 /nfs/dbraw/zinc/45/67/83/569456783.db2.gz JCLPOHKTLJGIME-UHFFFAOYSA-N 0 0 431.395 4.891 50 0 IJAARN CSc1cccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032074544 569459354 /nfs/dbraw/zinc/45/93/54/569459354.db2.gz DNEABVONPUNGLD-KRWDZBQOSA-N 0 0 426.929 4.756 50 0 IJAARN COc1ccc(Cl)c(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(F)cc4)nn32)c1 ZINC000032089548 569459561 /nfs/dbraw/zinc/45/95/61/569459561.db2.gz MSZRMVCSAFRJHV-QGZVFWFLSA-N 0 0 428.851 4.831 50 0 IJAARN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 ZINC000004122493 569460012 /nfs/dbraw/zinc/46/00/12/569460012.db2.gz QLDSKJIPVULJHZ-UHFFFAOYSA-N 0 0 432.505 4.724 50 0 IJAARN CC(C)C(=O)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(C)C ZINC000004198067 569460871 /nfs/dbraw/zinc/46/08/71/569460871.db2.gz KNWWULIKJAGIOU-UHFFFAOYSA-N 0 0 443.487 4.866 50 0 IJAARN CCc1ccc(O[C@](NC(=O)Nc2ccc(Cl)cc2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208087 569460925 /nfs/dbraw/zinc/46/09/25/569460925.db2.gz OHHQCEDPWRWHCD-GOSISDBHSA-N 0 0 430.810 4.535 50 0 IJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)c1ccc2c(c1)CCCC(=O)N2 ZINC000032324672 569461239 /nfs/dbraw/zinc/46/12/39/569461239.db2.gz ZUUNELBIFUUSDO-UHFFFAOYSA-N 0 0 427.576 4.913 50 0 IJAARN COc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc(OC)c1OC ZINC000032449026 569461780 /nfs/dbraw/zinc/46/17/80/569461780.db2.gz KKYWUEWUVSTSBL-UHFFFAOYSA-N 0 0 429.904 4.927 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1nccn1-c1ccccc1C ZINC000032526098 569461996 /nfs/dbraw/zinc/46/19/96/569461996.db2.gz DPCRLJYWGCIWLH-UHFFFAOYSA-N 0 0 445.592 4.734 50 0 IJAARN Cc1cc(C)nc(SCC(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000032526215 569462017 /nfs/dbraw/zinc/46/20/17/569462017.db2.gz NOQFSJCYDKNYAX-UHFFFAOYSA-N 0 0 443.576 4.697 50 0 IJAARN Cc1ccc2[nH]c(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2c1 ZINC000008065742 569462202 /nfs/dbraw/zinc/46/22/02/569462202.db2.gz JGJDCXCGUUQIBL-JOCHJYFZSA-N 0 0 425.554 4.638 50 0 IJAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000038487519 569462914 /nfs/dbraw/zinc/46/29/14/569462914.db2.gz CDCIKYMMEGKIMQ-UHFFFAOYSA-N 0 0 447.926 4.702 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038489439 569463082 /nfs/dbraw/zinc/46/30/82/569463082.db2.gz XXVDOSBNZCUEIT-UHFFFAOYSA-N 0 0 443.526 4.573 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008391219 569463226 /nfs/dbraw/zinc/46/32/26/569463226.db2.gz CWIVSDIOHNMUFC-NSYGIPOTSA-N 0 0 425.573 4.679 50 0 IJAARN CCc1cc([C@H](c2cccs2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546562 569463650 /nfs/dbraw/zinc/46/36/50/569463650.db2.gz SDGZEFQSTARUBX-HXUWFJFHSA-N 0 0 429.611 4.944 50 0 IJAARN Cc1ccc(/C=C2/N=C(c3cccc(C4=N/C(=C\c5ccc(C)cc5)C(=O)O4)c3)OC2=O)cc1 ZINC000008427408 569464128 /nfs/dbraw/zinc/46/41/28/569464128.db2.gz LLTMYFQYXLMCCW-PMICNGQHSA-N 0 0 448.478 4.992 50 0 IJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C ZINC000008435642 569464351 /nfs/dbraw/zinc/46/43/51/569464351.db2.gz WNJQCOQZYGAYHF-OAHLLOKOSA-N 0 0 429.977 4.817 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)c1C ZINC000067217163 569464909 /nfs/dbraw/zinc/46/49/09/569464909.db2.gz GGZHOEMRMZHKLN-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)c1 ZINC000067216966 569464914 /nfs/dbraw/zinc/46/49/14/569464914.db2.gz ULSXOJZIOJOZHG-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1ccc(C)c(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000067216939 569464941 /nfs/dbraw/zinc/46/49/41/569464941.db2.gz YEIJFDLRFYHXMY-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067236969 569465461 /nfs/dbraw/zinc/46/54/61/569465461.db2.gz CCNSZRRGYIMMDK-UHFFFAOYSA-N 0 0 432.549 4.624 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237257 569465469 /nfs/dbraw/zinc/46/54/69/569465469.db2.gz PTWLKBHKVIEPIZ-UHFFFAOYSA-N 0 0 444.560 4.550 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cccc(C)c3C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237182 569465482 /nfs/dbraw/zinc/46/54/82/569465482.db2.gz CIRRQYKMCAFDIP-UHFFFAOYSA-N 0 0 432.549 4.678 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(C)ccc3C)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067237109 569465485 /nfs/dbraw/zinc/46/54/85/569465485.db2.gz GWGYWXWZBWCFFZ-UHFFFAOYSA-N 0 0 432.549 4.678 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1 ZINC000067237103 569465489 /nfs/dbraw/zinc/46/54/89/569465489.db2.gz VFDHMTCKJLYBGL-UHFFFAOYSA-N 0 0 446.576 4.932 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(C)ccc3C)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237434 569465558 /nfs/dbraw/zinc/46/55/58/569465558.db2.gz QNXCEPOVBNMLBX-UHFFFAOYSA-N 0 0 436.512 4.509 50 0 IJAARN COc1cccc(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)c1 ZINC000038653541 569465778 /nfs/dbraw/zinc/46/57/78/569465778.db2.gz IWILNGLDSFRQRU-UHFFFAOYSA-N 0 0 427.323 4.944 50 0 IJAARN COc1ccc(-n2cc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1OC ZINC000038655157 569465799 /nfs/dbraw/zinc/46/57/99/569465799.db2.gz DACRYQDWDLOWJA-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc2c(c1)OCO2 ZINC000067259408 569466258 /nfs/dbraw/zinc/46/62/58/569466258.db2.gz GJIWFWOFPQCCLR-UHFFFAOYSA-N 0 0 438.455 4.744 50 0 IJAARN Cc1ccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(F)cc43)CC2)c(C)c1 ZINC000067288150 569467368 /nfs/dbraw/zinc/46/73/68/569467368.db2.gz RDVMRUDYVJFJRQ-UHFFFAOYSA-N 0 0 446.570 4.943 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)NCc4ccc(F)cc4F)nccn3n2)cc1C ZINC000067290045 569467601 /nfs/dbraw/zinc/46/76/01/569467601.db2.gz LUPCKZXGOLBGHB-UHFFFAOYSA-N 0 0 438.503 4.700 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1c(C)cccc1Cl ZINC000067290922 569467635 /nfs/dbraw/zinc/46/76/35/569467635.db2.gz SFPHGIXQILIGPH-UHFFFAOYSA-N 0 0 445.972 4.516 50 0 IJAARN COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc(OC)c1 ZINC000067293168 569467830 /nfs/dbraw/zinc/46/78/30/569467830.db2.gz HAYLQWDMSDHBBP-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1F ZINC000067295824 569467976 /nfs/dbraw/zinc/46/79/76/569467976.db2.gz LCMPQDAJLMAVMC-PNHLSOANSA-N 0 0 433.439 4.777 50 0 IJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(OC)ccc2OC)cc1 ZINC000067297569 569468002 /nfs/dbraw/zinc/46/80/02/569468002.db2.gz XOBKGBHNKALGHC-RFBIWTDZSA-N 0 0 430.460 4.943 50 0 IJAARN Cc1c2cc(Cl)c3c(c2oc(=O)c1Cc1ccccc1)CN(CCCn1ccnc1)CO3 ZINC000038776370 569469056 /nfs/dbraw/zinc/46/90/56/569469056.db2.gz FACUJSWHBFADSN-UHFFFAOYSA-N 0 0 449.938 4.784 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nc(C)c(C)c(C)c2C(N)=O)c2ccccc2)c1 ZINC000008705329 569470407 /nfs/dbraw/zinc/47/04/07/569470407.db2.gz KKSPRIKDEJAHBZ-OAQYLSRUSA-N 0 0 435.549 4.586 50 0 IJAARN Cc1sc2ncn([C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c2c1C ZINC000008717817 569471181 /nfs/dbraw/zinc/47/11/81/569471181.db2.gz RNALXNSFHQENLN-VIFPVBQESA-N 0 0 429.851 4.947 50 0 IJAARN COc1cc(C(=O)N[C@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000008720336 569471551 /nfs/dbraw/zinc/47/15/51/569471551.db2.gz ZMULFPFQZNLKRY-OAHLLOKOSA-N 0 0 441.325 4.923 50 0 IJAARN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(C(F)(F)F)c1 ZINC000008720253 569471569 /nfs/dbraw/zinc/47/15/69/569471569.db2.gz WPAVSOBQNQRTNW-OAHLLOKOSA-N 0 0 448.466 4.997 50 0 IJAARN O=C(NC(NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000008741903 569472948 /nfs/dbraw/zinc/47/29/48/569472948.db2.gz RYIRXJJAMNGUHL-UHFFFAOYSA-N 0 0 443.286 4.581 50 0 IJAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 ZINC000008749303 569473267 /nfs/dbraw/zinc/47/32/67/569473267.db2.gz KMRZIALJJWHFLF-NQIIRXRSSA-N 0 0 435.597 4.542 50 0 IJAARN C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc2c(c1)CCCC2 ZINC000008749792 569473275 /nfs/dbraw/zinc/47/32/75/569473275.db2.gz BJNLXJOECREHFA-CQSZACIVSA-N 0 0 425.579 4.756 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000008752922 569473652 /nfs/dbraw/zinc/47/36/52/569473652.db2.gz OUSHCRNDTJQPSX-UHFFFAOYSA-N 0 0 440.469 4.675 50 0 IJAARN Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000008754097 569473794 /nfs/dbraw/zinc/47/37/94/569473794.db2.gz ZGYQXCWNACIDCA-UHFFFAOYSA-N 0 0 436.821 4.905 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000008755503 569473968 /nfs/dbraw/zinc/47/39/68/569473968.db2.gz TZNNDWQBSGSAGF-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000008769021 569475004 /nfs/dbraw/zinc/47/50/04/569475004.db2.gz HCMPGECOHRAWMW-GOSISDBHSA-N 0 0 445.541 4.780 50 0 IJAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@@H]32)C(=O)O1 ZINC000008773645 569475310 /nfs/dbraw/zinc/47/53/10/569475310.db2.gz GGWQNCHYUDPHSC-LAUBAEHRSA-N 0 0 439.939 4.546 50 0 IJAARN COc1ccc(Br)cc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000008789883 569475985 /nfs/dbraw/zinc/47/59/85/569475985.db2.gz HLGKOGGBRZOVAO-NMXNWIABSA-N 0 0 441.369 4.793 50 0 biogenic IJAARN O=C(CCC1CCCCC1)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 ZINC000008790501 569476102 /nfs/dbraw/zinc/47/61/02/569476102.db2.gz AFYRCVVSIFVIFM-UHFFFAOYSA-N 0 0 435.615 4.770 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc2c1C ZINC000008790984 569476149 /nfs/dbraw/zinc/47/61/49/569476149.db2.gz LTHNTJMCQHHRHM-UHFFFAOYSA-N 0 0 428.488 4.847 50 0 biogenic IJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)c(OC)c1 ZINC000008791400 569476226 /nfs/dbraw/zinc/47/62/26/569476226.db2.gz MQFNDASZSBDESV-UHFFFAOYSA-N 0 0 447.487 4.925 50 0 biogenic IJAARN CCCc1nc2ccccc2c(NC(=O)CN(C)CCc2ccc(OC)c(OC)c2)c1CC ZINC000008816754 569476826 /nfs/dbraw/zinc/47/68/26/569476826.db2.gz LVNZRZAWNZEZEP-UHFFFAOYSA-N 0 0 449.595 4.880 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)C1C[C@H]3CCC[C@@H](C1)C3=O)oc1ccccc12 ZINC000008825720 569477445 /nfs/dbraw/zinc/47/74/45/569477445.db2.gz SDOZHDDVMUVXGY-PMRDEQMMSA-N 0 0 449.503 4.860 50 0 IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000008826109 569477513 /nfs/dbraw/zinc/47/75/13/569477513.db2.gz DJEGMCNRBDPXTH-SFHVURJKSA-N 0 0 427.504 4.671 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc2N1Cc1ccccc1 ZINC000008840703 569478444 /nfs/dbraw/zinc/47/84/44/569478444.db2.gz ZLCZOYLPJPPQJS-UHFFFAOYSA-N 0 0 440.952 4.761 50 0 IJAARN CCc1cc2c(ncn([C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)s1 ZINC000008844022 569478523 /nfs/dbraw/zinc/47/85/23/569478523.db2.gz YMAVWSKGRNATDK-VIFPVBQESA-N 0 0 429.851 4.892 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008845137 569478694 /nfs/dbraw/zinc/47/86/94/569478694.db2.gz OZCAYUMAAGJHRZ-RUZDIDTESA-N 0 0 440.503 4.712 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1OCC ZINC000008845837 569478941 /nfs/dbraw/zinc/47/89/41/569478941.db2.gz DVUBLGCIIGPZEY-XMMPIXPASA-N 0 0 435.524 4.925 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3c(C)cccc3C)cs2)c1 ZINC000008851108 569479372 /nfs/dbraw/zinc/47/93/72/569479372.db2.gz NOBDSIVDQPFFPC-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1 ZINC000008851476 569479420 /nfs/dbraw/zinc/47/94/20/569479420.db2.gz YSUJPIISJOBLII-UHFFFAOYSA-N 0 0 441.578 4.626 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000008852775 569479526 /nfs/dbraw/zinc/47/95/26/569479526.db2.gz TZCFICUUEOGAHJ-UHFFFAOYSA-N 0 0 429.611 4.732 50 0 IJAARN CCOc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008852910 569479529 /nfs/dbraw/zinc/47/95/29/569479529.db2.gz MBTUKENSBHFYLJ-UHFFFAOYSA-N 0 0 441.578 4.762 50 0 IJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000008861438 569479973 /nfs/dbraw/zinc/47/99/73/569479973.db2.gz DCYSGCIXKFEGHF-KRWDZBQOSA-N 0 0 438.487 4.819 50 0 IJAARN COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCCCC3)nn2)s1 ZINC000008875881 569481078 /nfs/dbraw/zinc/48/10/78/569481078.db2.gz QIQSBIRPJREBKT-UHFFFAOYSA-N 0 0 440.594 4.689 50 0 IJAARN COc1cccc(N(C(=O)c2ccc(S(C)(=O)=O)cc2)c2nc3ccccc3s2)c1 ZINC000008878933 569481334 /nfs/dbraw/zinc/48/13/34/569481334.db2.gz ZEKIXIMIWAWMPV-UHFFFAOYSA-N 0 0 438.530 4.687 50 0 IJAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008880858 569481481 /nfs/dbraw/zinc/48/14/81/569481481.db2.gz XVWIJAGWDDBKAQ-UHFFFAOYSA-N 0 0 435.568 4.532 50 0 IJAARN CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 ZINC000068785714 569482008 /nfs/dbraw/zinc/48/20/08/569482008.db2.gz MVIOBCPMVAMRBZ-UTKZUKDTSA-N 0 0 438.959 4.582 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)n1c(=O)sc2cc(Br)ccc21 ZINC000039931866 569482100 /nfs/dbraw/zinc/48/21/00/569482100.db2.gz OINGATQZULYYOP-UHFFFAOYSA-N 0 0 433.110 4.852 50 0 IJAARN C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000068885880 569482465 /nfs/dbraw/zinc/48/24/65/569482465.db2.gz QPOGQVJEZOHQLZ-LLVKDONJSA-N 0 0 425.790 4.721 50 0 IJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NCC(=O)Nc3cccc(Cl)c3C)c12 ZINC000040020233 569482680 /nfs/dbraw/zinc/48/26/80/569482680.db2.gz WWWDNFVRCVTZHA-UHFFFAOYSA-N 0 0 440.912 4.590 50 0 IJAARN CCOc1c(Br)cc(F)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000040040108 569483403 /nfs/dbraw/zinc/48/34/03/569483403.db2.gz RJQGMXARYAOEHB-IBGZPJMESA-N 0 0 447.304 4.890 50 0 IJAARN O=C(Nc1ccccc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000008894184 569483640 /nfs/dbraw/zinc/48/36/40/569483640.db2.gz PIFZGWLFNOOXQW-UHFFFAOYSA-N 0 0 436.895 4.684 50 0 IJAARN O=C(CSc1nccc(C(F)(F)F)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040047375 569483756 /nfs/dbraw/zinc/48/37/56/569483756.db2.gz LFDNODXWKMPFEC-UHFFFAOYSA-N 0 0 438.500 4.603 50 0 IJAARN O=C(CSc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl)NCc1ccco1 ZINC000008899866 569484105 /nfs/dbraw/zinc/48/41/05/569484105.db2.gz NQNMFERJWCIILM-UHFFFAOYSA-N 0 0 449.359 4.925 50 0 IJAARN C[C@@H](NC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)c1ccc2c(c1)OCCO2 ZINC000008912732 569485114 /nfs/dbraw/zinc/48/51/14/569485114.db2.gz SRLXJINZCMYANF-MRXNPFEDSA-N 0 0 437.565 4.795 50 0 IJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)CC1=O ZINC000008915718 569485563 /nfs/dbraw/zinc/48/55/63/569485563.db2.gz NCUQRJNOFKXUDL-LSDHHAIUSA-N 0 0 430.335 4.759 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000040080846 569486623 /nfs/dbraw/zinc/48/66/23/569486623.db2.gz UICAZWJDBOTUSS-ACJLOTCBSA-N 0 0 425.019 4.747 50 0 IJAARN CC(C)[C@H](C)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C1CC1 ZINC000040082291 569486664 /nfs/dbraw/zinc/48/66/64/569486664.db2.gz HXXFFHYVDJANFK-INIZCTEOSA-N 0 0 447.000 4.741 50 0 IJAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000008921903 569486889 /nfs/dbraw/zinc/48/68/89/569486889.db2.gz MFWBLZPNMCPGPW-JOCHJYFZSA-N 0 0 430.342 4.510 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(Cl)s1 ZINC000008922482 569486919 /nfs/dbraw/zinc/48/69/19/569486919.db2.gz GMBFGQKMSXCRPC-HSZRJFAPSA-N 0 0 425.937 4.842 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)cc1 ZINC000008922490 569486933 /nfs/dbraw/zinc/48/69/33/569486933.db2.gz RTSZNFQPLBTQNJ-HHHXNRCGSA-N 0 0 429.516 4.525 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1cccc2ccccc21 ZINC000008927796 569487320 /nfs/dbraw/zinc/48/73/20/569487320.db2.gz MLWACLSEJMPPLN-MHZLTWQESA-N 0 0 425.459 4.986 50 0 IJAARN O=C(NCc1cccc(OCC(F)(F)F)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000040111917 569488865 /nfs/dbraw/zinc/48/88/65/569488865.db2.gz BEGWCXBTPQDESK-UHFFFAOYSA-N 0 0 425.407 4.545 50 0 IJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)c1ccc2c(c1)CC(=O)N2 ZINC000008946061 569489065 /nfs/dbraw/zinc/48/90/65/569489065.db2.gz QGBDKYIWEZOGQL-UHFFFAOYSA-N 0 0 435.505 4.967 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)C[C@H](c1ccccc1)OC3=O)CCC2 ZINC000008951745 569489966 /nfs/dbraw/zinc/48/99/66/569489966.db2.gz HSVXVBHRMDAERO-LJQANCHMSA-N 0 0 447.512 4.730 50 0 IJAARN Cc1nc2c(s1)c(-c1ccc(Cl)cc1)nn(CC(=O)Nc1cccc(Cl)c1)c2=O ZINC000008955319 569490111 /nfs/dbraw/zinc/49/01/11/569490111.db2.gz ASVBZNGMLDVKCW-UHFFFAOYSA-N 0 0 445.331 4.774 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000008959241 569490280 /nfs/dbraw/zinc/49/02/80/569490280.db2.gz LVVIUDCDISTWIS-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN CC(C)CCN1c2ccc(NC(=O)COc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000008959308 569490340 /nfs/dbraw/zinc/49/03/40/569490340.db2.gz UKVNDIXANGEVEA-UHFFFAOYSA-N 0 0 428.504 4.641 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000008959996 569490377 /nfs/dbraw/zinc/49/03/77/569490377.db2.gz HDUJTCWNXIUENP-UHFFFAOYSA-N 0 0 440.540 4.510 50 0 IJAARN COc1cccc(OCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000008959997 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569508453 /nfs/dbraw/zinc/50/84/53/569508453.db2.gz KJCJPQFQCIAVQK-FQEVSTJZSA-N 0 0 436.851 4.891 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(CSc2n[nH]c(-c3ccccc3F)n2)cs1 ZINC000009170000 569509203 /nfs/dbraw/zinc/50/92/03/569509203.db2.gz KZUMJMUXJTXKGF-UHFFFAOYSA-N 0 0 439.541 4.849 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)N1CCCCCC1 ZINC000009176249 569509678 /nfs/dbraw/zinc/50/96/78/569509678.db2.gz NNRYGPXNYDGTFQ-UHFFFAOYSA-N 0 0 427.957 4.534 50 0 IJAARN CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000009184758 569510023 /nfs/dbraw/zinc/51/00/23/569510023.db2.gz ZQJUZISSBBDYPO-DEOSSOPVSA-N 0 0 435.524 4.843 50 0 IJAARN COc1ccc(OC)c(-c2noc(CSc3nnc(C)n3-c3ccc(C)c(C)c3)n2)c1 ZINC000009185076 569510092 /nfs/dbraw/zinc/51/00/92/569510092.db2.gz IXUVMXGXVLYETN-UHFFFAOYSA-N 0 0 437.525 4.552 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009190723 569510602 /nfs/dbraw/zinc/51/06/02/569510602.db2.gz ZAKSGJMIQVZIJF-RUZDIDTESA-N 0 0 426.472 4.562 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nc(-c3ccccc3)c(C)[nH]2)nc1C ZINC000009191512 569510618 /nfs/dbraw/zinc/51/06/18/569510618.db2.gz FXFBMNXQUMGXGJ-OAHLLOKOSA-N 0 0 444.582 4.836 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1cccc(OC)c1 ZINC000009192408 569510747 /nfs/dbraw/zinc/51/07/47/569510747.db2.gz FCLPJSRPCGZYHP-SANMLTNESA-N 0 0 440.499 4.572 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OCC ZINC000009194996 569510928 /nfs/dbraw/zinc/51/09/28/569510928.db2.gz QNTQKPFRNDHHHM-CYBMUJFWSA-N 0 0 431.876 4.593 50 0 IJAARN Clc1cccc(-c2noc([C@H]3CC34CCN(Cc3nc(-c5ccco5)no3)CC4)n2)c1 ZINC000069652391 569511536 /nfs/dbraw/zinc/51/15/36/569511536.db2.gz NFEPIBORBCULLI-MRXNPFEDSA-N 0 0 437.887 4.803 50 0 IJAARN CCCCc1noc(CN2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655177 569511644 /nfs/dbraw/zinc/51/16/44/569511644.db2.gz GXKXNMQYMGXTFX-QGZVFWFLSA-N 0 0 427.936 4.885 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000009223389 569512958 /nfs/dbraw/zinc/51/29/58/569512958.db2.gz HUAUBAPFLIEQPW-UHFFFAOYSA-N 0 0 438.480 4.742 50 0 IJAARN CCOc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(OC)cc2)cc1OCC ZINC000009223774 569513017 /nfs/dbraw/zinc/51/30/17/569513017.db2.gz GDZQEKBOWPTYJZ-UHFFFAOYSA-N 0 0 433.504 4.654 50 0 IJAARN COCCc1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000009223880 569513085 /nfs/dbraw/zinc/51/30/85/569513085.db2.gz MUYPDSQHRLXZLE-SANMLTNESA-N 0 0 444.531 4.641 50 0 IJAARN COc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000009226527 569513298 /nfs/dbraw/zinc/51/32/98/569513298.db2.gz UYIITYULOYXORO-UHFFFAOYSA-N 0 0 449.557 4.864 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000009237144 569514176 /nfs/dbraw/zinc/51/41/76/569514176.db2.gz UWIBFTMYKONKAA-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 ZINC000009238229 569514233 /nfs/dbraw/zinc/51/42/33/569514233.db2.gz LDDYAFVIPBSTHU-LEWJYISDSA-N 0 0 427.533 4.651 50 0 IJAARN O=C(Nc1ccccc1F)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238404 569514288 /nfs/dbraw/zinc/51/42/88/569514288.db2.gz ZBICHAAMRJSZCQ-WOJBJXKFSA-N 0 0 449.486 4.621 50 0 IJAARN CCc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238291 569514321 /nfs/dbraw/zinc/51/43/21/569514321.db2.gz VQQKSLZENUGXGR-VXKWHMMOSA-N 0 0 441.560 4.905 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1 ZINC000009245406 569515353 /nfs/dbraw/zinc/51/53/53/569515353.db2.gz OZMNUYKYTZZTKY-NRFANRHFSA-N 0 0 447.535 4.527 50 0 IJAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)NC1CCCCC1 ZINC000009250151 569515646 /nfs/dbraw/zinc/51/56/46/569515646.db2.gz FERKGXIOGZKDTB-UHFFFAOYSA-N 0 0 427.570 4.500 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000009254276 569516285 /nfs/dbraw/zinc/51/62/85/569516285.db2.gz DLVXBOCMUCCFOQ-UHFFFAOYSA-N 0 0 433.562 4.962 50 0 IJAARN Cc1nc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)sc1C ZINC000009254458 569516373 /nfs/dbraw/zinc/51/63/73/569516373.db2.gz VDPTTYWNSYYWGN-UHFFFAOYSA-N 0 0 448.500 4.637 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000009255742 569516660 /nfs/dbraw/zinc/51/66/60/569516660.db2.gz MNHVLBINPDXCMZ-UHFFFAOYSA-N 0 0 449.605 4.564 50 0 IJAARN c1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@@H]4CCCO4)s3)c12 ZINC000009257866 569516864 /nfs/dbraw/zinc/51/68/64/569516864.db2.gz FYSLPSGARMZLEA-ZDUSSCGKSA-N 0 0 427.580 4.952 50 0 IJAARN O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000009257619 569516887 /nfs/dbraw/zinc/51/68/87/569516887.db2.gz GXVSZSKUNHUIJY-UHFFFAOYSA-N 0 0 435.568 4.532 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000009282641 569518664 /nfs/dbraw/zinc/51/86/64/569518664.db2.gz MHAKUHMWSYWHOG-HSZRJFAPSA-N 0 0 426.472 4.872 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)Nc1ccccc1F ZINC000009283029 569518800 /nfs/dbraw/zinc/51/88/00/569518800.db2.gz WSIFGVJYSOJSDM-UHFFFAOYSA-N 0 0 449.891 4.933 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[C@@H](O)c1ccccc1 ZINC000009292413 569519990 /nfs/dbraw/zinc/51/99/90/569519990.db2.gz AEHPWXWXVIHMOO-DENIHFKCSA-N 0 0 431.875 4.725 50 0 IJAARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000009315459 569522159 /nfs/dbraw/zinc/52/21/59/569522159.db2.gz ZVSPJIYCNXRERR-UHFFFAOYSA-N 0 0 444.560 4.873 50 0 IJAARN Cn1ccnc1[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009318837 569522510 /nfs/dbraw/zinc/52/25/10/569522510.db2.gz VYKMSAHWYSRWTP-IBGZPJMESA-N 0 0 433.878 4.543 50 0 IJAARN COc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000009320564 569522535 /nfs/dbraw/zinc/52/25/35/569522535.db2.gz DWDQKKNWUDMGIS-DEOSSOPVSA-N 0 0 441.531 4.731 50 0 IJAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(Cl)cc1)c2=O)NCc1cccs1 ZINC000009336896 569523456 /nfs/dbraw/zinc/52/34/56/569523456.db2.gz XTYOBYRNOCHMLP-UHFFFAOYSA-N 0 0 441.892 4.995 50 0 IJAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009338159 569523678 /nfs/dbraw/zinc/52/36/78/569523678.db2.gz ADGCEVMRAHXWDL-JOCHJYFZSA-N 0 0 425.488 4.774 50 0 IJAARN Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009339135 569523726 /nfs/dbraw/zinc/52/37/26/569523726.db2.gz JXGHJLXYGJPWOM-YKSBVNFPSA-N 0 0 433.508 4.616 50 0 IJAARN COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 ZINC000009346449 569524223 /nfs/dbraw/zinc/52/42/23/569524223.db2.gz CUPXDNFHZWONLZ-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN CC(=O)Nc1nc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cs1 ZINC000009349529 569524747 /nfs/dbraw/zinc/52/47/47/569524747.db2.gz XFRXJHKAPREEEM-UHFFFAOYSA-N 0 0 439.541 4.840 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000009364126 569525987 /nfs/dbraw/zinc/52/59/87/569525987.db2.gz LDMDVDCWOBFJKZ-UHFFFAOYSA-N 0 0 442.610 4.732 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1ccccc1 ZINC000009364037 569526018 /nfs/dbraw/zinc/52/60/18/569526018.db2.gz FTTAOPLJNSWGFV-UHFFFAOYSA-N 0 0 438.456 4.540 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc3ccccc32)s1)Nc1ccccc1F ZINC000009365909 569526145 /nfs/dbraw/zinc/52/61/45/569526145.db2.gz MGJWGSJMRNUCLB-UHFFFAOYSA-N 0 0 438.509 4.814 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc3ccccc32)s1)N1CCc2ccccc21 ZINC000009366588 569526291 /nfs/dbraw/zinc/52/62/91/569526291.db2.gz LNUMCQASOBWPMP-UHFFFAOYSA-N 0 0 446.557 4.625 50 0 IJAARN Cc1sc2nc(C)nc(SCC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2c1C ZINC000009378103 569527566 /nfs/dbraw/zinc/52/75/66/569527566.db2.gz XBDSAEGJISYDHH-AWEZNQCLSA-N 0 0 437.594 4.772 50 0 IJAARN CCCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000009379391 569527708 /nfs/dbraw/zinc/52/77/08/569527708.db2.gz ZDZRTNPIZSQBMD-UHFFFAOYSA-N 0 0 437.544 4.561 50 0 IJAARN CCCCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccc(OC)cc1 ZINC000009382870 569528359 /nfs/dbraw/zinc/52/83/59/569528359.db2.gz PELFOOLUUGZDAY-UHFFFAOYSA-N 0 0 426.567 4.593 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1nc(-c2cccnc2)no1 ZINC000009388914 569528544 /nfs/dbraw/zinc/52/85/44/569528544.db2.gz GWNSHMQOMOWXPT-MRXNPFEDSA-N 0 0 441.520 4.687 50 0 IJAARN CC[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1 ZINC000009390818 569528750 /nfs/dbraw/zinc/52/87/50/569528750.db2.gz VAPGPONIIBUZHJ-AWEZNQCLSA-N 0 0 430.961 4.750 50 0 IJAARN COc1ccc(C(=O)NCc2nnc(SCc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000009390839 569528772 /nfs/dbraw/zinc/52/87/72/569528772.db2.gz PAKGJHVOQSUAFS-UHFFFAOYSA-N 0 0 448.523 4.637 50 0 IJAARN O=C(NCC1(c2ccccc2)CCCC1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407542 569530228 /nfs/dbraw/zinc/53/02/28/569530228.db2.gz IIJYMOJUHYWJFU-UHFFFAOYSA-N 0 0 437.586 4.944 50 0 IJAARN COc1cc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc(OC)c1 ZINC000009407793 569530326 /nfs/dbraw/zinc/53/03/26/569530326.db2.gz RNJYPCNCSNWHST-UHFFFAOYSA-N 0 0 444.535 4.934 50 0 IJAARN COc1cccc(CNC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)c1 ZINC000009408004 569530437 /nfs/dbraw/zinc/53/04/37/569530437.db2.gz GHAXHJMDUKTDGI-UHFFFAOYSA-N 0 0 442.563 4.912 50 0 IJAARN Cc1nn2c(nc(C)c(CC(=O)NCCCc3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000009408621 569530675 /nfs/dbraw/zinc/53/06/75/569530675.db2.gz JXYYDVNPEMIIFP-UHFFFAOYSA-N 0 0 430.527 4.752 50 0 IJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 ZINC000009409249 569531009 /nfs/dbraw/zinc/53/10/09/569531009.db2.gz OSHBZVBIPNGNHZ-HXUWFJFHSA-N 0 0 426.314 4.890 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009412116 569531580 /nfs/dbraw/zinc/53/15/80/569531580.db2.gz XTDPZUUJVJXRLH-UHFFFAOYSA-N 0 0 426.592 4.799 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1Cl ZINC000009415010 569532126 /nfs/dbraw/zinc/53/21/26/569532126.db2.gz CATAMDUKVMBDBC-UHFFFAOYSA-N 0 0 427.892 4.623 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2NC1=O ZINC000009416011 569532289 /nfs/dbraw/zinc/53/22/89/569532289.db2.gz OPHURXPCPZRBEN-OAHLLOKOSA-N 0 0 425.444 4.980 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3cccs3)cc2)c(OC)c1 ZINC000009416875 569532365 /nfs/dbraw/zinc/53/23/65/569532365.db2.gz LCRVNDQMSYVXDK-FQEVSTJZSA-N 0 0 436.533 4.995 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3n2C)c1 ZINC000009417522 569532382 /nfs/dbraw/zinc/53/23/82/569532382.db2.gz ZOYDBRQQZXBADX-UHFFFAOYSA-N 0 0 430.533 4.865 50 0 IJAARN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2ccccc2)cc1OC ZINC000009426364 569533266 /nfs/dbraw/zinc/53/32/66/569533266.db2.gz NLISOQLIYYFGGT-RUZDIDTESA-N 0 0 427.504 4.983 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2c(ccc(C)c2C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000009431316 569534163 /nfs/dbraw/zinc/53/41/63/569534163.db2.gz HVFZHGSAZSNGLL-QGZVFWFLSA-N 0 0 431.579 4.557 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3C)s2)n1 ZINC000009431802 569534319 /nfs/dbraw/zinc/53/43/19/569534319.db2.gz FYXXHXYOZDDJIL-UHFFFAOYSA-N 0 0 438.003 4.947 50 0 IJAARN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432762 569534461 /nfs/dbraw/zinc/53/44/61/569534461.db2.gz ANFKFZXGBBBQKC-XZOQPEGZSA-N 0 0 434.561 4.876 50 0 IJAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSCc2ccco2)c1OC ZINC000009444049 569535757 /nfs/dbraw/zinc/53/57/57/569535757.db2.gz HWJUUBZTMLKZPM-SFHVURJKSA-N 0 0 442.562 4.969 50 0 IJAARN CC(C)c1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009451640 569536452 /nfs/dbraw/zinc/53/64/52/569536452.db2.gz JVXKOACRONVWMP-HSZRJFAPSA-N 0 0 443.609 4.528 50 0 IJAARN COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(Cl)cc1 ZINC000009456617 569536692 /nfs/dbraw/zinc/53/66/92/569536692.db2.gz JWIXTMBSHCRQSJ-LPYMAVHISA-N 0 0 448.931 4.698 50 0 IJAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)sc2c1 ZINC000009459619 569536818 /nfs/dbraw/zinc/53/68/18/569536818.db2.gz AGEOPUGSIMDHCA-CYBMUJFWSA-N 0 0 440.011 4.754 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c(C)n1C[C@@H]1CCCO1 ZINC000009463238 569537404 /nfs/dbraw/zinc/53/74/04/569537404.db2.gz CDQFLYNWFRESJM-KRWDZBQOSA-N 0 0 431.945 4.962 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000009463264 569537451 /nfs/dbraw/zinc/53/74/51/569537451.db2.gz UXFZYSGFNJQXSU-UHFFFAOYSA-N 0 0 436.515 4.788 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000009464029 569537621 /nfs/dbraw/zinc/53/76/21/569537621.db2.gz WNROXZPOKSQTRQ-FQEVSTJZSA-N 0 0 449.503 4.591 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000009465266 569537907 /nfs/dbraw/zinc/53/79/07/569537907.db2.gz UVPOOTOHNKOATH-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(OC(F)(F)F)cc1 ZINC000009465248 569537936 /nfs/dbraw/zinc/53/79/36/569537936.db2.gz URPXOAQFRGIHAB-UHFFFAOYSA-N 0 0 437.230 4.666 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc(Br)ccc2Cl)cc1OCC ZINC000009465579 569537953 /nfs/dbraw/zinc/53/79/53/569537953.db2.gz AQUJVIKYRBSYPO-UHFFFAOYSA-N 0 0 426.738 4.872 50 0 IJAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000009466997 569538299 /nfs/dbraw/zinc/53/82/99/569538299.db2.gz DOUGQLSBNWFPSA-OAHLLOKOSA-N 0 0 449.938 4.891 50 0 IJAARN Cc1cc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c(C)n1C1CC1 ZINC000009469088 569538731 /nfs/dbraw/zinc/53/87/31/569538731.db2.gz RWAYUBHCUQVVBG-INIZCTEOSA-N 0 0 441.576 4.757 50 0 IJAARN COc1ccc(CN(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000009476729 569539102 /nfs/dbraw/zinc/53/91/02/569539102.db2.gz MWRUHBBKUMXXML-LJQANCHMSA-N 0 0 425.579 4.628 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009477292 569539180 /nfs/dbraw/zinc/53/91/80/569539180.db2.gz PGNKAFZWUUFSOR-HXUWFJFHSA-N 0 0 440.981 4.980 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc3ccc(C)nc32)cc1 ZINC000009491691 569540405 /nfs/dbraw/zinc/54/04/05/569540405.db2.gz UZENTWVENWAEFR-UHFFFAOYSA-N 0 0 441.487 4.822 50 0 IJAARN C[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)C12CC3CC(CC(C3)C1)C2 ZINC000009492812 569540616 /nfs/dbraw/zinc/54/06/16/569540616.db2.gz CXKYYUWVAREOIT-ABROSTTOSA-N 0 0 439.412 4.849 50 0 IJAARN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCC12CC3CC(CC(C3)C1)C2 ZINC000009493728 569540832 /nfs/dbraw/zinc/54/08/32/569540832.db2.gz TUSQEOXLABIYAO-UHFFFAOYSA-N 0 0 449.523 4.763 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1F ZINC000009494521 569540934 /nfs/dbraw/zinc/54/09/34/569540934.db2.gz VZLPOCZMQLXAQZ-UHFFFAOYSA-N 0 0 447.557 4.540 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 ZINC000009494434 569540956 /nfs/dbraw/zinc/54/09/56/569540956.db2.gz NRPYICQXJRZOLT-UHFFFAOYSA-N 0 0 448.573 4.751 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(NC2CC2)s1 ZINC000009496380 569541221 /nfs/dbraw/zinc/54/12/21/569541221.db2.gz CCOBVMOSOROOLG-UHFFFAOYSA-N 0 0 434.974 4.777 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)COc3cccc(Br)c3)n2)c1 ZINC000009500388 569541501 /nfs/dbraw/zinc/54/15/01/569541501.db2.gz ZRNWHLHKTDRTSO-UHFFFAOYSA-N 0 0 449.326 4.607 50 0 IJAARN COc1ccc(-n2nnnc2S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000009507708 569542111 /nfs/dbraw/zinc/54/21/11/569542111.db2.gz BVFHLIFJXIKUFH-JOCHJYFZSA-N 0 0 445.548 4.760 50 0 IJAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)NC(=O)NC1CCCCC1 ZINC000009507805 569542156 /nfs/dbraw/zinc/54/21/56/569542156.db2.gz PCZDKAZDFOSSNL-UHFFFAOYSA-N 0 0 426.567 4.609 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000009508907 569542428 /nfs/dbraw/zinc/54/24/28/569542428.db2.gz RGOMNEWLXCQSEK-MRXNPFEDSA-N 0 0 436.518 4.861 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009508905 569542429 /nfs/dbraw/zinc/54/24/29/569542429.db2.gz RGOMNEWLXCQSEK-INIZCTEOSA-N 0 0 436.518 4.861 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000009510162 569542673 /nfs/dbraw/zinc/54/26/73/569542673.db2.gz PESVXXMBECYWPA-KZZKVKKMSA-N 0 0 442.654 4.963 50 0 IJAARN COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 ZINC000009510738 569542788 /nfs/dbraw/zinc/54/27/88/569542788.db2.gz SYTHQRHTAJYKAT-UHFFFAOYSA-N 0 0 431.469 4.918 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009510557 569542817 /nfs/dbraw/zinc/54/28/17/569542817.db2.gz FVMQGLSETHXDBM-HXUWFJFHSA-N 0 0 436.851 4.810 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 ZINC000009512266 569542926 /nfs/dbraw/zinc/54/29/26/569542926.db2.gz VZBWDFXONONDFW-GOSISDBHSA-N 0 0 436.533 4.784 50 0 IJAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1SC[C@@H]1CCCO1 ZINC000009513991 569543129 /nfs/dbraw/zinc/54/31/29/569543129.db2.gz SGUDLOJWMIVWCL-NRFANRHFSA-N 0 0 438.593 4.514 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)n[nH]2)cc1 ZINC000009513948 569543147 /nfs/dbraw/zinc/54/31/47/569543147.db2.gz NSMOZFKDUKUSLS-KRWDZBQOSA-N 0 0 449.561 4.905 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000009517616 569543687 /nfs/dbraw/zinc/54/36/87/569543687.db2.gz CVBRQNMLKISSQZ-UHFFFAOYSA-N 0 0 429.427 4.565 50 0 IJAARN O=C(CCc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009518495 569544060 /nfs/dbraw/zinc/54/40/60/569544060.db2.gz JOVVUQNYYQOCEB-UHFFFAOYSA-N 0 0 428.444 4.985 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000009526072 569544521 /nfs/dbraw/zinc/54/45/21/569544521.db2.gz ZTKOTTCJLTVGNJ-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000009531922 569545241 /nfs/dbraw/zinc/54/52/41/569545241.db2.gz VQLBNQYVQYPFIJ-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN COc1ccc(C[NH2+]Cc2c3ccc(OC)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000009532581 569545345 /nfs/dbraw/zinc/54/53/45/569545345.db2.gz SVQNKYLRFYFWQK-UHFFFAOYSA-N 0 0 430.504 4.695 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nnc1-c1cccs1 ZINC000009545501 569546124 /nfs/dbraw/zinc/54/61/24/569546124.db2.gz IBQUZVPTZHIDRB-MRXNPFEDSA-N 0 0 430.599 4.599 50 0 IJAARN CCCOc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1OC ZINC000009546220 569546251 /nfs/dbraw/zinc/54/62/51/569546251.db2.gz GRTUVFNYFAACPK-NOKYJCPASA-N 0 0 442.600 4.717 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(Br)ccc3n2)cc1 ZINC000009557680 569546895 /nfs/dbraw/zinc/54/68/95/569546895.db2.gz VRCPCQHQBWZGDU-UHFFFAOYSA-N 0 0 448.320 4.998 50 0 IJAARN Cc1cc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)no1 ZINC000009578068 569548309 /nfs/dbraw/zinc/54/83/09/569548309.db2.gz DCPMLYGFMUZOGA-UHFFFAOYSA-N 0 0 429.552 4.664 50 0 IJAARN CCC(=O)N(c1nnc(SCc2csc(-c3ccc(OC)cc3)n2)s1)C1CC1 ZINC000009579183 569548476 /nfs/dbraw/zinc/54/84/76/569548476.db2.gz ZYXCPCBPMYNUEP-UHFFFAOYSA-N 0 0 432.596 4.868 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC(F)F ZINC000009579713 569548585 /nfs/dbraw/zinc/54/85/85/569548585.db2.gz IMQAVLPZMWTYFG-QGZVFWFLSA-N 0 0 437.899 4.681 50 0 IJAARN CCOc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000009584114 569549323 /nfs/dbraw/zinc/54/93/23/569549323.db2.gz FAAHJKBOTWHBKT-UHFFFAOYSA-N 0 0 426.856 4.722 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)c2cc1C ZINC000009584403 569549390 /nfs/dbraw/zinc/54/93/90/569549390.db2.gz QFDNCAPLHBSRTO-QFIPXVFZSA-N 0 0 445.302 4.684 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 ZINC000009585296 569549475 /nfs/dbraw/zinc/54/94/75/569549475.db2.gz YRDUMOHGGBIIIG-UHFFFAOYSA-N 0 0 430.533 4.858 50 0 IJAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000009586608 569549736 /nfs/dbraw/zinc/54/97/36/569549736.db2.gz RNTFJOIKOGNBCS-JTSKRJEESA-N 0 0 440.465 4.924 50 0 IJAARN O=c1cc(COc2cc(Cl)c(Cl)cc2Cl)nc2ccc(Br)cn12 ZINC000009590860 569550039 /nfs/dbraw/zinc/55/00/39/569550039.db2.gz WSNDIXBFNZJAQE-UHFFFAOYSA-N 0 0 434.504 4.996 50 0 IJAARN Cc1ccccc1-c1nc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)ns1 ZINC000009591059 569550134 /nfs/dbraw/zinc/55/01/34/569550134.db2.gz ZZZDXANWVGVVNE-UHFFFAOYSA-N 0 0 446.561 4.749 50 0 IJAARN CC(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)s2)cc1 ZINC000009591504 569550192 /nfs/dbraw/zinc/55/01/92/569550192.db2.gz BXXUFCJGOQBCNT-INIZCTEOSA-N 0 0 426.567 4.633 50 0 IJAARN COc1ccc2c(CC(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)coc2c1 ZINC000009592670 569550332 /nfs/dbraw/zinc/55/03/32/569550332.db2.gz ZOBHXRNBYXQLBU-UHFFFAOYSA-N 0 0 433.489 4.631 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009592963 569550347 /nfs/dbraw/zinc/55/03/47/569550347.db2.gz BPCLYTSFOXOAAD-QHCPKHFHSA-N 0 0 445.446 4.700 50 0 IJAARN O=C(NCc1ccccc1COc1ccccc1)NCc1ccccc1Cn1cccn1 ZINC000009592837 569550372 /nfs/dbraw/zinc/55/03/72/569550372.db2.gz ASALOHAVYKCSBS-UHFFFAOYSA-N 0 0 426.520 4.510 50 0 IJAARN COCCn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2Br ZINC000070666553 569550633 /nfs/dbraw/zinc/55/06/33/569550633.db2.gz PVYWVZUZFUIVJW-UHFFFAOYSA-N 0 0 426.314 4.644 50 0 biogenic IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009595352 569550665 /nfs/dbraw/zinc/55/06/65/569550665.db2.gz QRKAVMFZRPXKOV-UHFFFAOYSA-N 0 0 437.521 4.823 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCn3ccc4ccccc43)c2)cc1 ZINC000009595872 569550775 /nfs/dbraw/zinc/55/07/75/569550775.db2.gz IADPQHQBKVFJRA-UHFFFAOYSA-N 0 0 447.560 4.571 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSC1=NC2(CCC(C)CC2)N=C1c1ccccc1 ZINC000009599127 569551173 /nfs/dbraw/zinc/55/11/73/569551173.db2.gz WVXOSKDWBGXXNI-UHFFFAOYSA-N 0 0 449.576 4.953 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O ZINC000009599667 569551323 /nfs/dbraw/zinc/55/13/23/569551323.db2.gz JTHABJNQWIGJQY-UHFFFAOYSA-N 0 0 440.780 4.541 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccccc1Oc1ccccc1 ZINC000009605784 569551893 /nfs/dbraw/zinc/55/18/93/569551893.db2.gz DDIKXPZBPNIPIE-UHFFFAOYSA-N 0 0 432.520 4.823 50 0 IJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(SC)nn32)cc1 ZINC000009608522 569552164 /nfs/dbraw/zinc/55/21/64/569552164.db2.gz MJZXJICNXRXEEY-GOSISDBHSA-N 0 0 441.944 4.590 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1cccs1 ZINC000009608576 569552227 /nfs/dbraw/zinc/55/22/27/569552227.db2.gz TZIXGMKXRSBCAH-SFHVURJKSA-N 0 0 426.567 4.792 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c(OC)c1 ZINC000009609243 569552301 /nfs/dbraw/zinc/55/23/01/569552301.db2.gz OXDNOMHWDSKKSS-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccc(C)cc3)c(C)n2n1 ZINC000009609721 569552420 /nfs/dbraw/zinc/55/24/20/569552420.db2.gz LZWKRRXTKRXMOP-UHFFFAOYSA-N 0 0 428.536 4.579 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1n[nH]c(-c2ccncc2)n1 ZINC000009609737 569552431 /nfs/dbraw/zinc/55/24/31/569552431.db2.gz AJDIDWLVWXUVEF-UHFFFAOYSA-N 0 0 439.928 4.531 50 0 IJAARN COc1cccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(OC)ccc32)c1 ZINC000009610791 569552635 /nfs/dbraw/zinc/55/26/35/569552635.db2.gz YNJXWDNPELUBJO-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN Cc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000009610766 569552641 /nfs/dbraw/zinc/55/26/41/569552641.db2.gz FKEQOROGWQMZRN-UHFFFAOYSA-N 0 0 425.484 4.935 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3cc(C)cc(C)c3)cc2s1 ZINC000009610880 569552699 /nfs/dbraw/zinc/55/26/99/569552699.db2.gz BLGFDEHWNDFAMF-FQEVSTJZSA-N 0 0 445.610 4.553 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(C)cc3C)cc2s1 ZINC000009610863 569552707 /nfs/dbraw/zinc/55/27/07/569552707.db2.gz UYOVBPHSWIMQNJ-HXUWFJFHSA-N 0 0 445.610 4.553 50 0 IJAARN CCn1c(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)nnc1-c1ccco1 ZINC000009613648 569553026 /nfs/dbraw/zinc/55/30/26/569553026.db2.gz YMGCFOSOHXTFPI-IBGZPJMESA-N 0 0 442.541 4.757 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccccc2F)c(=O)n1-c1ccc(Cl)cc1)CCC3 ZINC000009615383 569553212 /nfs/dbraw/zinc/55/32/12/569553212.db2.gz DBKIJYWSMBVUBJ-UHFFFAOYSA-N 0 0 426.900 4.543 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c(C)n1Cc1cccs1 ZINC000009620497 569553484 /nfs/dbraw/zinc/55/34/84/569553484.db2.gz GWQGEFJHBZEVKJ-HNNXBMFYSA-N 0 0 448.639 4.632 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1 ZINC000009627903 569553557 /nfs/dbraw/zinc/55/35/57/569553557.db2.gz NXOQYJYRKWUNQO-UHFFFAOYSA-N 0 0 428.926 4.840 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000009631765 569553836 /nfs/dbraw/zinc/55/38/36/569553836.db2.gz HFBSKWIJLXCEMD-UHFFFAOYSA-N 0 0 437.912 4.839 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1Cc1ccccc1Cl ZINC000009631881 569553878 /nfs/dbraw/zinc/55/38/78/569553878.db2.gz RUZBXFZWFKOZAD-UHFFFAOYSA-N 0 0 441.959 4.634 50 0 IJAARN CCOc1c(Br)cc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1OC ZINC000009632282 569553990 /nfs/dbraw/zinc/55/39/90/569553990.db2.gz KDPDXYSFIDWNDG-UHFFFAOYSA-N 0 0 448.342 4.551 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000009632466 569554002 /nfs/dbraw/zinc/55/40/02/569554002.db2.gz BOAVNIMQRUOKRH-UHFFFAOYSA-N 0 0 449.967 4.700 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000009633359 569554246 /nfs/dbraw/zinc/55/42/46/569554246.db2.gz XZKUZTDPIDVTPY-UHFFFAOYSA-N 0 0 434.546 4.929 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n(C2CCCCC2)c1C ZINC000009637916 569554930 /nfs/dbraw/zinc/55/49/30/569554930.db2.gz PQSFZJLEBMZGAA-UHFFFAOYSA-N 0 0 426.586 4.863 50 0 IJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 ZINC000009640345 569555379 /nfs/dbraw/zinc/55/53/79/569555379.db2.gz YDHCGKMIKKTDOX-NSHDSACASA-N 0 0 434.315 4.627 50 0 IJAARN CC(C)(C)c1ccc(OCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[nH]n32)cc1 ZINC000009641010 569555528 /nfs/dbraw/zinc/55/55/28/569555528.db2.gz YEBQGWGGVPRMKQ-UHFFFAOYSA-N 0 0 438.528 4.692 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)n2C(C)C)cc1 ZINC000009646552 569556326 /nfs/dbraw/zinc/55/63/26/569556326.db2.gz WCXNTRXIFFLACT-UHFFFAOYSA-N 0 0 429.546 4.551 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)cc1 ZINC000009646974 569556399 /nfs/dbraw/zinc/55/63/99/569556399.db2.gz ZXHNMGBTRYPKEN-CQSZACIVSA-N 0 0 430.961 4.729 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)c1ccco1 ZINC000009663396 569557242 /nfs/dbraw/zinc/55/72/42/569557242.db2.gz CQSSGWRMWPZNOT-UHFFFAOYSA-N 0 0 447.274 4.943 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000009665883 569557644 /nfs/dbraw/zinc/55/76/44/569557644.db2.gz MPKCQNKYIWADCE-LJQANCHMSA-N 0 0 444.281 4.896 50 0 IJAARN COc1ccc(OCc2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2F)cc1 ZINC000009670883 569558424 /nfs/dbraw/zinc/55/84/24/569558424.db2.gz SRYLYPABGHPXFO-SFHVURJKSA-N 0 0 429.517 4.655 50 0 IJAARN CC[S@@](=O)c1ccccc1C(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000009671357 569558486 /nfs/dbraw/zinc/55/84/86/569558486.db2.gz FKOUUPKYLMUOLW-HKBQPEDESA-N 0 0 437.561 4.674 50 0 IJAARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000009671465 569558565 /nfs/dbraw/zinc/55/85/65/569558565.db2.gz RSDRMZREEFYMGY-OAQYLSRUSA-N 0 0 427.504 4.525 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 ZINC000009671716 569558593 /nfs/dbraw/zinc/55/85/93/569558593.db2.gz MRHPMZQNXJECHI-GOSISDBHSA-N 0 0 426.567 4.902 50 0 IJAARN Cc1cc(C(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2ccco2)no1 ZINC000009672105 569558742 /nfs/dbraw/zinc/55/87/42/569558742.db2.gz OEGUBTZACUBUCB-UHFFFAOYSA-N 0 0 441.793 4.529 50 0 IJAARN COCCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(Cl)cc1 ZINC000009674171 569559139 /nfs/dbraw/zinc/55/91/39/569559139.db2.gz IVLIWVRFYXXQTA-UHFFFAOYSA-N 0 0 433.936 4.781 50 0 IJAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(C)c1 ZINC000009685709 569560734 /nfs/dbraw/zinc/56/07/34/569560734.db2.gz GOUHCCXUJZMIFH-UHFFFAOYSA-N 0 0 439.581 4.951 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(Cn3nc(-n4cccc4)c4c3nc(C)cc4C)cc2)o1 ZINC000009687412 569560786 /nfs/dbraw/zinc/56/07/86/569560786.db2.gz JXOROKVCOQUFQT-UHFFFAOYSA-N 0 0 439.519 4.719 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)c3ccc4c(c3)nc(C)c(=O)n4CC)sc2C)cc1 ZINC000009703796 569561358 /nfs/dbraw/zinc/56/13/58/569561358.db2.gz FJLVKYONEMSOSM-UHFFFAOYSA-N 0 0 448.548 4.808 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc12 ZINC000009712462 569562281 /nfs/dbraw/zinc/56/22/81/569562281.db2.gz KVUORRKETALSTO-UHFFFAOYSA-N 0 0 437.496 4.595 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ccc2nc(-c3ccc(OC)cc3)cn2n1 ZINC000009712867 569562398 /nfs/dbraw/zinc/56/23/98/569562398.db2.gz BVKDFTGGQFIJPC-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN COc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1OC ZINC000009713558 569562658 /nfs/dbraw/zinc/56/26/58/569562658.db2.gz DBGPSWKDEVVPOF-UHFFFAOYSA-N 0 0 435.509 4.504 50 0 IJAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(OC)cc4c32)cc1 ZINC000009725279 569563742 /nfs/dbraw/zinc/56/37/42/569563742.db2.gz VTCORSZAKBAVPA-UHFFFAOYSA-N 0 0 438.487 4.907 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(C)o1 ZINC000009731862 569564737 /nfs/dbraw/zinc/56/47/37/569564737.db2.gz PYPNMMCETNMULQ-QFIPXVFZSA-N 0 0 441.491 4.783 50 0 IJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(C(F)(F)F)cc3)co2)n1 ZINC000009739704 569565060 /nfs/dbraw/zinc/56/50/60/569565060.db2.gz IJIBKNAMJKZOLS-UHFFFAOYSA-N 0 0 427.425 4.935 50 0 IJAARN CCOc1ccc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)cc1OCC ZINC000009739604 569565091 /nfs/dbraw/zinc/56/50/91/569565091.db2.gz LOFZJYWQPGMOQI-UHFFFAOYSA-N 0 0 447.534 4.714 50 0 IJAARN Cc1ccc(Oc2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009740578 569565149 /nfs/dbraw/zinc/56/51/49/569565149.db2.gz BSFOKOOJOFYEOR-UHFFFAOYSA-N 0 0 436.533 4.824 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C2CCCC2)cc1 ZINC000009752613 569566153 /nfs/dbraw/zinc/56/61/53/569566153.db2.gz WOYFXTZBUUAGOQ-UHFFFAOYSA-N 0 0 447.560 4.975 50 0 IJAARN Cc1cc(NC(=O)c2ccc(CN3C(=O)NC4(CCCCC4)C3=O)cc2)ccc1Cl ZINC000009762607 569566508 /nfs/dbraw/zinc/56/65/08/569566508.db2.gz RZXUXRHTRBGASN-UHFFFAOYSA-N 0 0 425.916 4.655 50 0 IJAARN COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3csc(-c4ccc(C)cc4)n3)C2=O)cc1 ZINC000009766342 569566807 /nfs/dbraw/zinc/56/68/07/569566807.db2.gz XTJDMKUINNPVKU-XMMPIXPASA-N 0 0 435.549 4.570 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776625 569567083 /nfs/dbraw/zinc/56/70/83/569567083.db2.gz DYXBNYYLXSBSBO-LADGPHEKSA-N 0 0 434.467 4.576 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)n1-c1ccccc1 ZINC000009777634 569567164 /nfs/dbraw/zinc/56/71/64/569567164.db2.gz HMDMRUHNUCDKBY-UHFFFAOYSA-N 0 0 443.532 4.564 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)n[nH]2)cc1 ZINC000009778428 569567221 /nfs/dbraw/zinc/56/72/21/569567221.db2.gz LPYDNEZDZICHKX-FQEVSTJZSA-N 0 0 438.553 4.979 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1C ZINC000009779340 569567395 /nfs/dbraw/zinc/56/73/95/569567395.db2.gz FEHIEFAABWOJQS-UHFFFAOYSA-N 0 0 438.549 4.780 50 0 IJAARN Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)n1 ZINC000009781426 569567572 /nfs/dbraw/zinc/56/75/72/569567572.db2.gz SMZYIEMGLIBDRS-MRXNPFEDSA-N 0 0 426.563 4.952 50 0 IJAARN COc1ccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccccc2)cc1Cl ZINC000009781457 569567578 /nfs/dbraw/zinc/56/75/78/569567578.db2.gz OKVFYWAWLJKODL-UHFFFAOYSA-N 0 0 430.961 4.603 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1sccc1C(N)=O ZINC000009789249 569568055 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CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(C)cc2)c(N)c1S(C)(=O)=O ZINC000009824696 569569616 /nfs/dbraw/zinc/56/96/16/569569616.db2.gz SUZYZAJJQLFDNU-UHFFFAOYSA-N 0 0 428.579 4.888 50 0 IJAARN CCS(=O)(=O)c1c(N)c(C(=O)c2ccc(F)cc2)sc1Nc1cc(C)ccc1C ZINC000009824741 569569637 /nfs/dbraw/zinc/56/96/37/569569637.db2.gz JNUQDOGSYVARHB-UHFFFAOYSA-N 0 0 432.542 4.854 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccc(Cl)cc3)nn21)Nc1cccc(Cl)c1 ZINC000009829047 569569930 /nfs/dbraw/zinc/56/99/30/569569930.db2.gz JWPQLNQEQJPAPV-UHFFFAOYSA-N 0 0 430.320 4.829 50 0 IJAARN O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000009829735 569570189 /nfs/dbraw/zinc/57/01/89/569570189.db2.gz AEZFZCTXBGSAEX-AATRIKPKSA-N 0 0 435.530 4.771 50 0 IJAARN O=C([O-])c1c(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1F ZINC000009833316 569570341 /nfs/dbraw/zinc/57/03/41/569570341.db2.gz NPRNYKACWMMPSO-UHFFFAOYSA-N 0 0 432.451 4.545 50 0 IJAARN Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCCCCC3)nnc2-c2ccncc2)cc1C ZINC000009846811 569571049 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441.622 4.881 50 0 IJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000009959312 569575129 /nfs/dbraw/zinc/57/51/29/569575129.db2.gz WQACQCPAJFALOS-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccncc1)C12CC3CC(CC(C3)C1)C2 ZINC000009981909 569576494 /nfs/dbraw/zinc/57/64/94/569576494.db2.gz LVMKFOXDYVVILO-UHFFFAOYSA-N 0 0 445.588 4.717 50 0 IJAARN COc1ccc2c(CC(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)coc2c1 ZINC000009983027 569576568 /nfs/dbraw/zinc/57/65/68/569576568.db2.gz OCXQNLGGNKWLSI-UHFFFAOYSA-N 0 0 441.789 4.838 50 0 IJAARN O=C(COC(=O)c1cccc(Br)c1)Nc1c(Cl)cccc1C(F)(F)F ZINC000009982447 569576580 /nfs/dbraw/zinc/57/65/80/569576580.db2.gz PAWNQRFSEWVWGD-UHFFFAOYSA-N 0 0 436.611 4.917 50 0 IJAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000010015041 569577109 /nfs/dbraw/zinc/57/71/09/569577109.db2.gz STPSISWSZVEFFH-MRXNPFEDSA-N 0 0 440.569 4.849 50 0 IJAARN COc1ccc(CNC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 ZINC000010015040 569577116 /nfs/dbraw/zinc/57/71/16/569577116.db2.gz STPSISWSZVEFFH-INIZCTEOSA-N 0 0 440.569 4.849 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3OCc3ccccc3)sc2c1 ZINC000010022294 569577290 /nfs/dbraw/zinc/57/72/90/569577290.db2.gz VVQPURKDNJSMEO-UHFFFAOYSA-N 0 0 438.530 4.531 50 0 IJAARN COc1cccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)c(OC)c2)c2ccccc2)c1 ZINC000010184739 569578338 /nfs/dbraw/zinc/57/83/38/569578338.db2.gz BGQFQDWMFITEEV-RUZDIDTESA-N 0 0 445.519 4.623 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3c(cccc3F)s2)c1 ZINC000010187504 569578612 /nfs/dbraw/zinc/57/86/12/569578612.db2.gz MHHCPTLANXTSEN-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)[C@H]3COc4ccccc4O3)nc2c1C ZINC000010187705 569578637 /nfs/dbraw/zinc/57/86/37/569578637.db2.gz SQGKORPIQITOEY-HXUWFJFHSA-N 0 0 431.517 4.681 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)sc2c1 ZINC000010187887 569578765 /nfs/dbraw/zinc/57/87/65/569578765.db2.gz RIQAZTJISYPVIV-UHFFFAOYSA-N 0 0 439.924 4.811 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000010188187 569578782 /nfs/dbraw/zinc/57/87/82/569578782.db2.gz RQQZGHSYAVLLNO-SFHVURJKSA-N 0 0 445.950 4.849 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OCC)cc3)=NN12 ZINC000010213845 569579098 /nfs/dbraw/zinc/57/90/98/569579098.db2.gz IMVXKIBQRYSSAW-JOCHJYFZSA-N 0 0 435.524 4.577 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1c(OCC)cccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000010214613 569579170 /nfs/dbraw/zinc/57/91/70/569579170.db2.gz MCRZNPNEUNLAFM-SFHVURJKSA-N 0 0 441.553 4.639 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)no2)cc1 ZINC000010232778 569579335 /nfs/dbraw/zinc/57/93/35/569579335.db2.gz YLWIAABHIQQGQJ-UHFFFAOYSA-N 0 0 426.494 4.720 50 0 IJAARN Cc1nc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccncc2)sc1C ZINC000010233051 569579385 /nfs/dbraw/zinc/57/93/85/569579385.db2.gz KDXKCAALLYTHPU-GOSISDBHSA-N 0 0 437.908 4.973 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000010273863 569580303 /nfs/dbraw/zinc/58/03/03/569580303.db2.gz KUFFZFLMGFWGBJ-UHFFFAOYSA-N 0 0 433.895 4.673 50 0 IJAARN CC(C)c1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1 ZINC000071768389 569580684 /nfs/dbraw/zinc/58/06/84/569580684.db2.gz LFAZZHDTEYMXBP-UHFFFAOYSA-N 0 0 444.539 4.668 50 0 IJAARN COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000071768742 569580778 /nfs/dbraw/zinc/58/07/78/569580778.db2.gz DVECSNCBNPOJBO-UHFFFAOYSA-N 0 0 438.530 4.536 50 0 IJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000010322194 569580991 /nfs/dbraw/zinc/58/09/91/569580991.db2.gz ABBJWJHUTRDCOL-UHFFFAOYSA-N 0 0 439.302 4.677 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000010327564 569581046 /nfs/dbraw/zinc/58/10/46/569581046.db2.gz NUZGGWGHAYYMRX-UHFFFAOYSA-N 0 0 446.450 4.709 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCc3cn4ccccc4n3)cc12 ZINC000010355896 569581463 /nfs/dbraw/zinc/58/14/63/569581463.db2.gz ZKJQIFYWVLOBPU-UHFFFAOYSA-N 0 0 449.967 4.728 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1 ZINC000010464871 569582455 /nfs/dbraw/zinc/58/24/55/569582455.db2.gz IGCVOSYUHNNCMW-NSHDSACASA-N 0 0 434.518 4.557 50 0 IJAARN O=C(Nc1nncs1)c1cccc(Oc2nc(-c3ccncc3)nc3ccccc32)c1 ZINC000071874887 569582616 /nfs/dbraw/zinc/58/26/16/569582616.db2.gz UGRPKZVRWKIBDX-UHFFFAOYSA-N 0 0 426.461 4.588 50 0 IJAARN Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2nc(C)cc(C)c12 ZINC000010519727 569582676 /nfs/dbraw/zinc/58/26/76/569582676.db2.gz CYTORGMOUHSJSP-UHFFFAOYSA-N 0 0 431.583 4.503 50 0 IJAARN COC(=O)c1sc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)nc1C ZINC000013552489 569583792 /nfs/dbraw/zinc/58/37/92/569583792.db2.gz YYFFADGAEJBLME-BUHFOSPRSA-N 0 0 444.516 4.743 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000059309963 569584938 /nfs/dbraw/zinc/58/49/38/569584938.db2.gz YDKGMMYKSTWUQW-UHFFFAOYSA-N 0 0 441.535 5.165 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077099573 569585230 /nfs/dbraw/zinc/58/52/30/569585230.db2.gz FUUDJRATHYWNPA-UHFFFAOYSA-N 0 0 437.805 4.657 50 0 IJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(CCc1ccc(Cl)cc1)C2 ZINC000020320034 569587079 /nfs/dbraw/zinc/58/70/79/569587079.db2.gz OXGIRNSWDNAIAN-UHFFFAOYSA-N 0 0 445.350 4.919 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)c2)n[nH]1 ZINC000195573289 569588141 /nfs/dbraw/zinc/58/81/41/569588141.db2.gz JUZINCKSQQHCBK-UHFFFAOYSA-N 0 0 428.521 4.800 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N[C@@H](C(C)C)C(O)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000000632311 193864217 /nfs/dbraw/zinc/86/42/17/193864217.db2.gz SCOLSLSJLUGQMW-VWLOTQADSA-N 0 0 437.605 4.851 50 0 IJAARN COc1ccc(N[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1OC ZINC000000640320 193867474 /nfs/dbraw/zinc/86/74/74/193867474.db2.gz YGNLNIZZYMVYTP-RUZDIDTESA-N 0 0 448.519 4.530 50 0 IJAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(=O)OCC)c1C ZINC000000648262 193870832 /nfs/dbraw/zinc/87/08/32/193870832.db2.gz WOROXOUINXHHSD-UHFFFAOYSA-N 0 0 444.336 4.898 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)c1cccc(OC(C)C)c1 ZINC000000649578 193871708 /nfs/dbraw/zinc/87/17/08/193871708.db2.gz OXOMCLIENAVAMG-UHFFFAOYSA-N 0 0 446.569 4.755 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)cc1 ZINC000000650001 193871768 /nfs/dbraw/zinc/87/17/68/193871768.db2.gz VQWXYKZLATZNJT-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN CCc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)cc1 ZINC000000654447 193873977 /nfs/dbraw/zinc/87/39/77/193873977.db2.gz GHYOMXJROFJFJQ-HSZRJFAPSA-N 0 0 445.416 4.885 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000000657201 193875225 /nfs/dbraw/zinc/87/52/25/193875225.db2.gz PPMVAVAVZJKOEX-JLHYYAGUSA-N 0 0 428.554 4.710 50 0 IJAARN CCCc1sc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc1-c1ccccc1 ZINC000000661271 193876304 /nfs/dbraw/zinc/87/63/04/193876304.db2.gz AOKGASWRNVJNTB-UHFFFAOYSA-N 0 0 441.622 4.582 50 0 IJAARN COc1cc(-c2cc(C(=O)Nc3ccc(C)cn3)c3ccccc3n2)cc(OC)c1OC ZINC000006183707 193889103 /nfs/dbraw/zinc/88/91/03/193889103.db2.gz BNGCVLNPNLGQHT-UHFFFAOYSA-N 0 0 429.476 4.883 50 0 IJAARN CCc1ccc(C(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1 ZINC000009835700 193901968 /nfs/dbraw/zinc/90/19/68/193901968.db2.gz GNLAAPRNEYQQSH-UHFFFAOYSA-N 0 0 426.516 4.544 50 0 IJAARN Brc1ccc(CNc2n[nH]c(NCc3ccc(Br)cc3)n2)cc1 ZINC000009847122 193905243 /nfs/dbraw/zinc/90/52/43/193905243.db2.gz UCCABIOHTZUHFS-UHFFFAOYSA-N 0 0 437.139 4.554 50 0 IJAARN CCN(CCNC(=O)[C@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1)c1ccccc1 ZINC000009848397 193906714 /nfs/dbraw/zinc/90/67/14/193906714.db2.gz IWUDUPLIIAECKO-FQEVSTJZSA-N 0 0 436.625 4.772 50 0 IJAARN CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1cccc(OC)c1 ZINC000000710776 132229654 /nfs/dbraw/zinc/22/96/54/132229654.db2.gz WVHZVALLRZJSNR-UHFFFAOYSA-N 0 0 435.520 4.810 50 0 IJAARN COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Br ZINC000000752389 132230134 /nfs/dbraw/zinc/23/01/34/132230134.db2.gz XRVQZFQYDKMION-UHFFFAOYSA-N 0 0 429.280 4.799 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1 ZINC000000812008 132230991 /nfs/dbraw/zinc/23/09/91/132230991.db2.gz LPMGTSSCNAYFNG-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN CCCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C ZINC000001173143 132238295 /nfs/dbraw/zinc/23/82/95/132238295.db2.gz MABSFLYDUKHRGO-UHFFFAOYSA-N 0 0 447.348 4.842 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CCc4ccccc4)ccc32)cc1 ZINC000010220764 132243789 /nfs/dbraw/zinc/24/37/89/132243789.db2.gz FSXFBWPCFPWWKT-UHFFFAOYSA-N 0 0 434.561 4.708 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000010220776 132243802 /nfs/dbraw/zinc/24/38/02/132243802.db2.gz AYJIOBBTCLLYLH-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccccc3)C(=S)N[C@H]2c2ccccc2Cl)no1 ZINC000010352980 132246211 /nfs/dbraw/zinc/24/62/11/132246211.db2.gz AGYVAKKJIHQETM-FQEVSTJZSA-N 0 0 438.940 4.985 50 0 IJAARN CCCc1nc2sc3c(nc(SC)nc3N3CCN(CC)CC3)c2c2c1CCC2 ZINC000002198763 132248664 /nfs/dbraw/zinc/24/86/64/132248664.db2.gz MNKHAQISLRXBCB-UHFFFAOYSA-N 0 0 427.643 4.545 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCCc2ccccc21 ZINC000002636526 132255474 /nfs/dbraw/zinc/25/54/74/132255474.db2.gz QFDLWEMWTVWTEM-UHFFFAOYSA-N 0 0 430.533 4.658 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)c(OC)c1 ZINC000002924066 132258748 /nfs/dbraw/zinc/25/87/48/132258748.db2.gz YLDYOGPUFMBVNU-UHFFFAOYSA-N 0 0 426.542 4.568 50 0 IJAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)c1C ZINC000003023110 132260628 /nfs/dbraw/zinc/26/06/28/132260628.db2.gz DSVXUTDJAXLZIO-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)N1CCCc2ccccc21 ZINC000003243038 132262709 /nfs/dbraw/zinc/26/27/09/132262709.db2.gz RSRVXLQKHLKEMZ-UHFFFAOYSA-N 0 0 428.699 4.548 50 0 IJAARN COc1ccc(CC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC ZINC000003244019 132262748 /nfs/dbraw/zinc/26/27/48/132262748.db2.gz JFIINZUIQCFHCH-UHFFFAOYSA-N 0 0 435.501 4.619 50 0 IJAARN FC(F)Oc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000003288507 132263380 /nfs/dbraw/zinc/26/33/80/132263380.db2.gz NJLZSRFYUBXRMI-UHFFFAOYSA-N 0 0 431.430 4.826 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1csc2c1CCCC2 ZINC000003371770 132264846 /nfs/dbraw/zinc/26/48/46/132264846.db2.gz XGVXFJMZQHPJID-UHFFFAOYSA-N 0 0 430.570 4.513 50 0 IJAARN COc1ccc(CNC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 ZINC000003438081 132265637 /nfs/dbraw/zinc/26/56/37/132265637.db2.gz WHQDCMMLIMQYAT-ZJSXRUAMSA-N 0 0 434.561 4.866 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)CS3)cc1 ZINC000003638447 132266596 /nfs/dbraw/zinc/26/65/96/132266596.db2.gz ITBYQPLLICSEEA-UHFFFAOYSA-N 0 0 432.545 4.573 50 0 IJAARN Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCc4ccccc4)cc32)c1 ZINC000003638709 132266769 /nfs/dbraw/zinc/26/67/69/132266769.db2.gz ZVNUCTBCRTXMCK-UHFFFAOYSA-N 0 0 430.573 4.915 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000004057424 132269232 /nfs/dbraw/zinc/26/92/32/132269232.db2.gz XSOPROKNVPAYLL-UHFFFAOYSA-N 0 0 444.457 4.506 50 0 IJAARN Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000006704430 132278241 /nfs/dbraw/zinc/27/82/41/132278241.db2.gz UYFGZLPGIAKESR-UHFFFAOYSA-N 0 0 428.580 4.656 50 0 IJAARN CC1CCC(NC(=O)[C@@H]2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)CC1 ZINC000006806436 132279399 /nfs/dbraw/zinc/27/93/99/132279399.db2.gz KSMVFWFULGZLIN-HWOWSKLDSA-N 0 0 426.561 4.895 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCC[C@H](C)C3)cc21 ZINC000008596198 132285133 /nfs/dbraw/zinc/28/51/33/132285133.db2.gz IQENOADCWMLHLV-KRWDZBQOSA-N 0 0 442.556 4.620 50 0 IJAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Br)cc1C ZINC000008596954 132285276 /nfs/dbraw/zinc/28/52/76/132285276.db2.gz XLAHTDQBLSUBKC-UHFFFAOYSA-N 0 0 429.318 4.845 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1)c1nsc2ccccc21 ZINC000008599758 132285934 /nfs/dbraw/zinc/28/59/34/132285934.db2.gz BKUMUIMPDDIFHU-UHFFFAOYSA-N 0 0 442.544 4.511 50 0 aggregator IJAARN COc1cc2c(cc1NC(=O)[C@H](C)Nc1ccc(N3CCOCC3)cc1)oc1ccccc12 ZINC000008719990 132291545 /nfs/dbraw/zinc/29/15/45/132291545.db2.gz PEVQOWZCRJIEJD-KRWDZBQOSA-N 0 0 445.519 4.870 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C ZINC000008840651 132295707 /nfs/dbraw/zinc/29/57/07/132295707.db2.gz OBPDMNOFGGTULE-UHFFFAOYSA-N 0 0 434.561 4.892 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl ZINC000008859993 132296394 /nfs/dbraw/zinc/29/63/94/132296394.db2.gz YXPOUSGYPXVQGE-UHFFFAOYSA-N 0 0 426.969 4.826 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)CC2)cc1C ZINC000008857591 132296450 /nfs/dbraw/zinc/29/64/50/132296450.db2.gz BLLSNKUBSGRVRR-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009058188 132301328 /nfs/dbraw/zinc/30/13/28/132301328.db2.gz DCLZGJLNFMQEMH-UHFFFAOYSA-N 0 0 444.560 4.593 50 0 IJAARN Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)o2)c1 ZINC000009115359 132303605 /nfs/dbraw/zinc/30/36/05/132303605.db2.gz BMLWCBOPDISSCS-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009130865 132306286 /nfs/dbraw/zinc/30/62/86/132306286.db2.gz GRMDCVNRMJOTLW-UHFFFAOYSA-N 0 0 443.547 4.527 50 0 IJAARN Cc1ccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3c2cnn3C)cc1C ZINC000009212220 132309217 /nfs/dbraw/zinc/30/92/17/132309217.db2.gz UHCGJEJBBSYYHO-UHFFFAOYSA-N 0 0 447.974 4.704 50 0 IJAARN O=c1nc(CN2CCN(c3ccccc3Cl)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000009367940 132314530 /nfs/dbraw/zinc/31/45/30/132314530.db2.gz INKUUAIUXJDYKJ-UHFFFAOYSA-N 0 0 436.968 4.627 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1)c1ccccc1 ZINC000009405833 132315025 /nfs/dbraw/zinc/31/50/25/132315025.db2.gz XORSYOKHKRQKQV-IRXDYDNUSA-N 0 0 441.959 4.637 50 0 IJAARN CCOc1ccc(NC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)cc1 ZINC000009406027 132315534 /nfs/dbraw/zinc/31/55/34/132315534.db2.gz OWWZWAADKHCWDH-FQEVSTJZSA-N 0 0 437.540 4.533 50 0 IJAARN O=S(=O)(NC[C@H](c1ccccc1)N1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000009409375 132315921 /nfs/dbraw/zinc/31/59/21/132315921.db2.gz KGLSPROSGPQZLD-HSZRJFAPSA-N 0 0 426.969 4.812 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000009526220 132320307 /nfs/dbraw/zinc/32/03/07/132320307.db2.gz XMTGPIJIGALMKA-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)n1 ZINC000009553930 132321327 /nfs/dbraw/zinc/32/13/27/132321327.db2.gz FFZVCNDQSMDLBL-RUZDIDTESA-N 0 0 433.577 4.692 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1OC ZINC000009553488 132321348 /nfs/dbraw/zinc/32/13/48/132321348.db2.gz XLDDFOAWEMRVKU-UHFFFAOYSA-N 0 0 434.467 4.688 50 0 IJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000009573367 132321952 /nfs/dbraw/zinc/32/19/52/132321952.db2.gz DNVAIABOFQGGCC-UHFFFAOYSA-N 0 0 439.519 4.771 50 0 IJAARN CCn1c2ccccc2c2sc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc2c1=O ZINC000009611117 132323461 /nfs/dbraw/zinc/32/34/61/132323461.db2.gz XJGYMTLGANMEBR-GOSISDBHSA-N 0 0 445.588 4.895 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3cc(C)ccc3oc4=O)C[C@@H]2C)c1 ZINC000009611177 132323491 /nfs/dbraw/zinc/32/34/91/132323491.db2.gz ZPWYHADNMLDFLA-KRWDZBQOSA-N 0 0 432.545 4.975 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1 ZINC000009631648 132323956 /nfs/dbraw/zinc/32/39/56/132323956.db2.gz MNBNPZWKSWGSAU-IBGZPJMESA-N 0 0 433.474 4.902 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(N3CCOc4ccc(Cl)cc43)s2)c1 ZINC000009686945 132325934 /nfs/dbraw/zinc/32/59/34/132325934.db2.gz SAQDHYYBQUZFDV-UHFFFAOYSA-N 0 0 444.940 4.879 50 0 IJAARN C[C@@H](C(=O)NCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692870 132326130 /nfs/dbraw/zinc/32/61/30/132326130.db2.gz WWGLUWZJICCSGO-UZUQRXQVSA-N 0 0 434.536 4.786 50 0 IJAARN Cc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708870 132326841 /nfs/dbraw/zinc/32/68/41/132326841.db2.gz HFQGYKXLQRYJKU-UHFFFAOYSA-N 0 0 430.434 4.523 50 0 IJAARN Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1Cl ZINC000009762068 132328474 /nfs/dbraw/zinc/32/84/74/132328474.db2.gz HLOGGPOSHXOEPQ-UHFFFAOYSA-N 0 0 431.327 4.811 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776481 132328623 /nfs/dbraw/zinc/32/86/23/132328623.db2.gz HUMIQEUXPSQIND-UKILVPOCSA-N 0 0 448.494 4.966 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000009962665 132333011 /nfs/dbraw/zinc/33/30/11/132333011.db2.gz UMYJVXHSNWDQNX-UHFFFAOYSA-N 0 0 436.508 4.597 50 0 IJAARN COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CCC4CCCCC4)CC3)n2)cc1 ZINC000011027531 132337157 /nfs/dbraw/zinc/33/71/57/132337157.db2.gz ISQUIYSNUQDTLW-UHFFFAOYSA-N 0 0 437.588 4.546 50 0 IJAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)N2CCCc3ccccc32)cs1 ZINC000011595639 132338145 /nfs/dbraw/zinc/33/81/45/132338145.db2.gz CJWWUZCZSYIPSG-UHFFFAOYSA-N 0 0 438.574 4.880 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013069969 132343947 /nfs/dbraw/zinc/34/39/47/132343947.db2.gz DLFPQAULBXELBW-AWEZNQCLSA-N 0 0 445.407 4.873 50 0 IJAARN COc1ccccc1N1CCN(Cc2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000013469265 132347176 /nfs/dbraw/zinc/34/71/76/132347176.db2.gz CFIODOVQLFMJPS-UHFFFAOYSA-N 0 0 444.398 4.903 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1OC ZINC000013609674 132351578 /nfs/dbraw/zinc/35/15/78/132351578.db2.gz KHEDXJJALDLHJV-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN FC(F)(F)c1nc2ccccc2c(N2CCN(Cc3nc4ccccc4s3)CC2)n1 ZINC000014123786 132356156 /nfs/dbraw/zinc/35/61/56/132356156.db2.gz POXJKRVCKVYCOJ-UHFFFAOYSA-N 0 0 429.471 4.581 50 0 IJAARN CN(CCOc1ccccc1Cl)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014185412 132356451 /nfs/dbraw/zinc/35/64/51/132356451.db2.gz WHNOVUHKJNBNHD-UHFFFAOYSA-N 0 0 441.881 4.508 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2ccc(F)c(F)c2)C3)s1 ZINC000014981475 518294613 /nfs/dbraw/zinc/29/46/13/518294613.db2.gz QCUHTAGGUNAUTM-INIZCTEOSA-N 0 0 445.462 4.697 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H](C)Oc2ccccc2)C3)s1 ZINC000012331674 518295492 /nfs/dbraw/zinc/29/54/92/518295492.db2.gz UVYSOSMGJVOICF-KXBFYZLASA-N 0 0 439.508 4.644 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cc1 ZINC000012577503 518407539 /nfs/dbraw/zinc/40/75/39/518407539.db2.gz KXJFKEGXIYJMQP-INIZCTEOSA-N 0 0 433.533 4.576 50 0 IJAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccccc1-n1cccc1 ZINC000020446919 518494960 /nfs/dbraw/zinc/49/49/60/518494960.db2.gz URFMPHXWWBWIEX-UHFFFAOYSA-N 0 0 427.386 4.903 50 0 IJAARN CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000022528031 518818353 /nfs/dbraw/zinc/81/83/53/518818353.db2.gz BUZXJABJTIPVDR-UHFFFAOYSA-N 0 0 428.341 4.995 50 0 IJAARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)N1CCOCC1 ZINC000022203830 518954612 /nfs/dbraw/zinc/95/46/12/518954612.db2.gz VSLJBRUOVBWFNV-CNRGFGOASA-N 0 0 438.403 4.848 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NC4CCCCCC4)[nH]c(=O)c23)C1 ZINC000021882593 518979462 /nfs/dbraw/zinc/97/94/62/518979462.db2.gz BPQHLOYGRDAAQD-HNNXBMFYSA-N 0 0 429.630 4.907 50 0 IJAARN CC(C)(C)c1cnnn1-c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012659588 519078912 /nfs/dbraw/zinc/07/89/12/519078912.db2.gz YGHUPAZPMDCUNA-UHFFFAOYSA-N 0 0 437.613 4.594 50 0 IJAARN CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1)c1ccccc1 ZINC000015922098 519564409 /nfs/dbraw/zinc/56/44/09/519564409.db2.gz PEVPMBRZTZDUMK-GOSISDBHSA-N 0 0 430.508 4.562 50 0 IJAARN CC(C)CC(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012815875 519580393 /nfs/dbraw/zinc/58/03/93/519580393.db2.gz RLZDJAREWBRNJT-UHFFFAOYSA-N 0 0 435.955 4.886 50 0 IJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000035944875 519605030 /nfs/dbraw/zinc/60/50/30/519605030.db2.gz JDKJISRMRVTEBL-FQEVSTJZSA-N 0 0 443.613 4.620 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C=Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC000012788116 519631012 /nfs/dbraw/zinc/63/10/12/519631012.db2.gz BCGSVZRGYXTCCP-FLUIGGAXSA-N 0 0 432.303 4.730 50 0 IJAARN CC(C)CCN(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035077673 519652698 /nfs/dbraw/zinc/65/26/98/519652698.db2.gz NPOSMTAULYVQLP-UHFFFAOYSA-N 0 0 443.487 4.732 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000012589666 519675370 /nfs/dbraw/zinc/67/53/70/519675370.db2.gz PUVMVHFQGPADCF-UHFFFAOYSA-N 0 0 442.544 4.545 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000012531801 519709418 /nfs/dbraw/zinc/70/94/18/519709418.db2.gz BTUWBXJREAWCHY-UHFFFAOYSA-N 0 0 430.327 4.773 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1 ZINC000012817804 519732276 /nfs/dbraw/zinc/73/22/76/519732276.db2.gz CBZLMFLHGKJCPM-UHFFFAOYSA-N 0 0 430.533 4.999 50 0 IJAARN CC(C)OC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1c(F)cccc1Cl ZINC000012856434 519742708 /nfs/dbraw/zinc/74/27/08/519742708.db2.gz NHUDJHCMSBGQSB-INIZCTEOSA-N 0 0 445.899 4.700 50 0 IJAARN CC(C)OCCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021858073 519762175 /nfs/dbraw/zinc/76/21/75/519762175.db2.gz QBNKIHPABDEGPE-AREMUKBSSA-N 0 0 439.600 4.510 50 0 IJAARN CC(C)[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936049 519828365 /nfs/dbraw/zinc/82/83/65/519828365.db2.gz JNBSQYCIQZLEQW-FZKQIMNGSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(c1ccc(Cl)cc1)C2=O ZINC000021852637 519833697 /nfs/dbraw/zinc/83/36/97/519833697.db2.gz HSQHQIGKFBLHCA-DEOSSOPVSA-N 0 0 442.991 4.918 50 0 IJAARN CC(C)c1ccc(-n2c3ncn(Cc4ccccc4F)c3c(=O)n(C3CCCC3)c2=O)cc1 ZINC000034692752 519834099 /nfs/dbraw/zinc/83/40/99/519834099.db2.gz PZPMTJQNTMCIBI-UHFFFAOYSA-N 0 0 446.526 4.775 50 0 IJAARN CC(C)c1ccccc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021763157 519845174 /nfs/dbraw/zinc/84/51/74/519845174.db2.gz DRXPJHWZLCRLBM-UHFFFAOYSA-N 0 0 449.473 4.622 50 0 IJAARN CCCNC(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 ZINC000034679736 519882007 /nfs/dbraw/zinc/88/20/07/519882007.db2.gz FHRPEDLRBJHUQH-UHFFFAOYSA-N 0 0 430.548 4.919 50 0 IJAARN CCCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713888 519893515 /nfs/dbraw/zinc/89/35/15/519893515.db2.gz VJVUCWGHTXTQRE-DFBJGRDBSA-N 0 0 446.547 4.669 50 0 IJAARN CCCCCC(=O)N1CCCN(c2nc(CCC)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035908634 519923416 /nfs/dbraw/zinc/92/34/16/519923416.db2.gz DUMAWFGLDFGOCD-UHFFFAOYSA-N 0 0 448.615 4.695 50 0 IJAARN CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 ZINC000012442554 519948387 /nfs/dbraw/zinc/94/83/87/519948387.db2.gz FKGHLQAQWYEVGD-UHFFFAOYSA-N 0 0 445.007 4.833 50 0 IJAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725347 520297811 /nfs/dbraw/zinc/29/78/11/520297811.db2.gz AOEUQZBJLRCFHX-OAHLLOKOSA-N 0 0 434.521 4.754 50 0 IJAARN CCNc1nc2c(s1)[C@H](c1ccc(OC)c(CSc3ccccn3)c1)CC(=O)N2 ZINC000035327338 520359517 /nfs/dbraw/zinc/35/95/17/520359517.db2.gz NSLKHCFFWQTPLK-HNNXBMFYSA-N 0 0 426.567 4.745 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccccc1F ZINC000036046045 520372452 /nfs/dbraw/zinc/37/24/52/520372452.db2.gz IOLSOELTTWUGLO-UHFFFAOYSA-N 0 0 442.494 4.779 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)C1CC1 ZINC000036046176 520373010 /nfs/dbraw/zinc/37/30/10/520373010.db2.gz ULHDUKKREGLIPG-UHFFFAOYSA-N 0 0 430.552 4.860 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000012596701 520465336 /nfs/dbraw/zinc/46/53/36/520465336.db2.gz GGJKXGCRLQWXPU-UHFFFAOYSA-N 0 0 449.469 4.742 50 0 IJAARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cc(Cl)ccc1OCc1ccccc1 ZINC000015016967 520476746 /nfs/dbraw/zinc/47/67/46/520476746.db2.gz FDGHWDHCWZDDCP-OAQYLSRUSA-N 0 0 428.916 4.842 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021526371 520564044 /nfs/dbraw/zinc/56/40/44/520564044.db2.gz VQRFUCDGOCDZBS-HOOSLVGPSA-N 0 0 445.629 4.677 50 0 IJAARN CCOc1c(Br)cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)c(F)c2)cc1OC ZINC000014358011 520591313 /nfs/dbraw/zinc/59/13/13/520591313.db2.gz SZBKZGINBQTVOC-JTQLQIEISA-N 0 0 443.240 4.563 50 0 IJAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OC ZINC000012793451 520593944 /nfs/dbraw/zinc/59/39/44/520593944.db2.gz FXTDTGFKDVCWOU-MBNRZODZSA-N 0 0 443.927 4.895 50 0 IJAARN CCC[C@@H](C(=O)OCC)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844810 520600799 /nfs/dbraw/zinc/60/07/99/520600799.db2.gz QZVCSERLXJLNJU-DEOSSOPVSA-N 0 0 442.600 4.603 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035867292 520634244 /nfs/dbraw/zinc/63/42/44/520634244.db2.gz DOSCPZFOEYEYNG-IRXDYDNUSA-N 0 0 443.661 4.961 50 0 IJAARN CCOc1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)ccc1OCC(C)C ZINC000020893008 520672307 /nfs/dbraw/zinc/67/23/07/520672307.db2.gz NJYDOHVMDQKBHG-UHFFFAOYSA-N 0 0 439.430 4.934 50 0 IJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Br)cc3)cc2oc1=O ZINC000002150245 520714890 /nfs/dbraw/zinc/71/48/90/520714890.db2.gz DQNCCTYCIOLIBX-UHFFFAOYSA-N 0 0 445.309 4.939 50 0 biogenic IJAARN CCCCOC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(F)cc(F)c2n1 ZINC000035565216 520720245 /nfs/dbraw/zinc/72/02/45/520720245.db2.gz ABIFAYXYNWNSIV-UHFFFAOYSA-N 0 0 449.498 4.527 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000012533212 520750516 /nfs/dbraw/zinc/75/05/16/520750516.db2.gz SHNQCJGLLUISPP-UHFFFAOYSA-N 0 0 438.568 4.771 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(Cl)cc1Cl ZINC000020608285 520782110 /nfs/dbraw/zinc/78/21/10/520782110.db2.gz BPFVWYVVMSBMIW-GDZNZVCISA-N 0 0 435.417 4.578 50 0 IJAARN CC1=C(C(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(Cl)cc2)SCCO1 ZINC000033315184 520790096 /nfs/dbraw/zinc/79/00/96/520790096.db2.gz WWQQJAYFQGAOIA-UHFFFAOYSA-N 0 0 434.989 4.675 50 0 IJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(OC)c(OC)c4)csc3n2)cc1 ZINC000016838859 520811411 /nfs/dbraw/zinc/81/14/11/520811411.db2.gz BVWDYSCRTAVDFH-UHFFFAOYSA-N 0 0 437.521 4.660 50 0 IJAARN CCOc1ccc(-c2nc(CSc3n[nH]c(=O)n3CCc3ccccc3)cs2)cc1 ZINC000012885251 520817207 /nfs/dbraw/zinc/81/72/07/520817207.db2.gz WAHSXBYPEKKGMX-UHFFFAOYSA-N 0 0 438.578 4.629 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)c1 ZINC000012553378 520817684 /nfs/dbraw/zinc/81/76/84/520817684.db2.gz JNBMNKNTXCUCKI-CQSZACIVSA-N 0 0 435.546 4.760 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)NCc1cccn1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000020995847 520841444 /nfs/dbraw/zinc/84/14/44/520841444.db2.gz QCWPDJGOEUVYEW-JOCHJYFZSA-N 0 0 439.943 4.684 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3F)N2C1=O ZINC000021936181 520893728 /nfs/dbraw/zinc/89/37/28/520893728.db2.gz OLGBDXNXSOGKNQ-RBUKOAKNSA-N 0 0 438.528 4.735 50 0 IJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1 ZINC000020891542 520899455 /nfs/dbraw/zinc/89/94/55/520899455.db2.gz RDYCAKWQGBHDGP-OAQYLSRUSA-N 0 0 437.569 4.541 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2cccs2)CC1 ZINC000021808620 520951192 /nfs/dbraw/zinc/95/11/92/520951192.db2.gz VGADNRYPFDQPGD-AZGABAMRSA-N 0 0 441.622 4.874 50 0 IJAARN CCOc1ccc(CCNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1OCC ZINC000012876883 520953040 /nfs/dbraw/zinc/95/30/40/520953040.db2.gz GHBBKKLRRJQLBH-UHFFFAOYSA-N 0 0 435.568 4.627 50 0 IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCc2ccccc2)CC1 ZINC000021808574 520953177 /nfs/dbraw/zinc/95/31/77/520953177.db2.gz CHQGGNRKFYNHCT-OWRPTYIMSA-N 0 0 449.620 4.855 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000033296682 520996928 /nfs/dbraw/zinc/99/69/28/520996928.db2.gz FIXRFGKOTCVJHB-UHFFFAOYSA-N 0 0 432.524 4.588 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3ccccc3Cl)o2)cc1 ZINC000020515249 520997616 /nfs/dbraw/zinc/99/76/16/520997616.db2.gz CJNRFVISPMHOEM-GDLZYMKVSA-N 0 0 431.941 4.711 50 0 IJAARN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1 ZINC000001108519 521044600 /nfs/dbraw/zinc/04/46/00/521044600.db2.gz XSBLIARCCSLELO-UHFFFAOYSA-N 0 0 432.387 4.812 50 0 IJAARN CCOc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000021945122 521052567 /nfs/dbraw/zinc/05/25/67/521052567.db2.gz UEIYRUNRPFTDKV-UHFFFAOYSA-N 0 0 426.904 4.644 50 0 IJAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000012444185 521073801 /nfs/dbraw/zinc/07/38/01/521073801.db2.gz PMOPVVWEKZMKDY-UHFFFAOYSA-N 0 0 430.526 4.837 50 0 IJAARN CCC(=O)N(CCOC)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000035972507 521089977 /nfs/dbraw/zinc/08/99/77/521089977.db2.gz SLXUAJTVLIZZRS-UHFFFAOYSA-N 0 0 425.504 4.751 50 0 IJAARN CCOc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000015865504 521100521 /nfs/dbraw/zinc/10/05/21/521100521.db2.gz BZAOFGNEVSWXSS-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCCC[C@H](CC)C(=O)Nc1cccc([C@H]2NC(=S)N(CC)C(C)=C2C(=O)OC)c1 ZINC000035729701 521162074 /nfs/dbraw/zinc/16/20/74/521162074.db2.gz LNTOKZYNPNNIHO-OXJNMPFZSA-N 0 0 431.602 4.540 50 0 IJAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(C(C)=O)s2)C1 ZINC000012298655 521181880 /nfs/dbraw/zinc/18/18/80/521181880.db2.gz NTABRVYRTJHUDO-JOCHJYFZSA-N 0 0 433.957 4.632 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)n2)c1 ZINC000035461478 521219824 /nfs/dbraw/zinc/21/98/24/521219824.db2.gz IPMDSDFRBGVWJM-UHFFFAOYSA-N 0 0 443.507 4.586 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCCC3 ZINC000035893025 521313908 /nfs/dbraw/zinc/31/39/08/521313908.db2.gz DGXBIEMYWSNKID-UHFFFAOYSA-N 0 0 438.597 4.858 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CCCCC3 ZINC000035893309 521314135 /nfs/dbraw/zinc/31/41/35/521314135.db2.gz SWPJYCBVRWRTPH-UHFFFAOYSA-N 0 0 428.646 4.998 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC2CC2)C(=O)c2ccccc2Cl)c1C ZINC000036003662 521362845 /nfs/dbraw/zinc/36/28/45/521362845.db2.gz NGLFTOYEPVCKQN-HNNXBMFYSA-N 0 0 430.932 4.585 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccc3c(c2)OCO3)c1C ZINC000035510415 521366431 /nfs/dbraw/zinc/36/64/31/521366431.db2.gz DEPPFPVVCHEALW-UHFFFAOYSA-N 0 0 448.519 4.688 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C2CC2)c(C)n1CC ZINC000036004904 521387605 /nfs/dbraw/zinc/38/76/05/521387605.db2.gz XJRDCQWCNLXFJX-MRXNPFEDSA-N 0 0 444.959 4.831 50 0 IJAARN CCN(Cc1ccncc1)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000012152483 521418896 /nfs/dbraw/zinc/41/88/96/521418896.db2.gz MXGRIADJFGGDQW-UHFFFAOYSA-N 0 0 444.564 4.634 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000023334941 521425060 /nfs/dbraw/zinc/42/50/60/521425060.db2.gz LHUVJIDPBFYGRC-UHFFFAOYSA-N 0 0 435.499 4.652 50 0 IJAARN CCOc1ccccc1-c1nc(CC(=O)Nc2nc(CN3CCCCC3)cs2)cs1 ZINC000022290865 521439782 /nfs/dbraw/zinc/43/97/82/521439782.db2.gz MHYWEWFZKKMCNX-UHFFFAOYSA-N 0 0 442.610 4.832 50 0 IJAARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)o1 ZINC000021545950 521441091 /nfs/dbraw/zinc/44/10/91/521441091.db2.gz INZSEQRHHPNZDO-UHFFFAOYSA-N 0 0 425.297 4.568 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3OC)C2=O)cc1 ZINC000012311944 521484962 /nfs/dbraw/zinc/48/49/62/521484962.db2.gz XTBKYIFBMNJXCC-PGMHBOJBSA-N 0 0 442.471 4.512 50 0 IJAARN CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000035744478 521490168 /nfs/dbraw/zinc/49/01/68/521490168.db2.gz IRMXBCZOXKJUBH-UHFFFAOYSA-N 0 0 437.628 4.926 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 ZINC000016447695 521517398 /nfs/dbraw/zinc/51/73/98/521517398.db2.gz BJRMWVMGWUEINN-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(C)cc3)nc(C)n2)CC1 ZINC000012224295 521539113 /nfs/dbraw/zinc/53/91/13/521539113.db2.gz CQXDAUYVOMZJOC-UHFFFAOYSA-N 0 0 447.539 4.639 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021944630 521540803 /nfs/dbraw/zinc/54/08/03/521540803.db2.gz PYASWTQWQMFXRS-UHFFFAOYSA-N 0 0 448.498 4.742 50 0 biogenic IJAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 ZINC000015881576 521551812 /nfs/dbraw/zinc/55/18/12/521551812.db2.gz FGXHRWJHWQLBNN-UHFFFAOYSA-N 0 0 446.507 4.705 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000024651099 521555156 /nfs/dbraw/zinc/55/51/56/521555156.db2.gz RAHJQNUZFQIQNA-CCEZHUSRSA-N 0 0 448.542 4.827 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000024652775 521555175 /nfs/dbraw/zinc/55/51/75/521555175.db2.gz GODBHLHFMKJWQV-VAWYXSNFSA-N 0 0 430.980 4.700 50 0 IJAARN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(=O)COC ZINC000035972610 521680027 /nfs/dbraw/zinc/68/00/27/521680027.db2.gz AYWLQOGEBFAFCG-UHFFFAOYSA-N 0 0 425.504 4.751 50 0 IJAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C(=O)OCC ZINC000041078083 521680198 /nfs/dbraw/zinc/68/01/98/521680198.db2.gz FGUXXDIFMRWLAY-UHFFFAOYSA-N 0 0 435.524 4.766 50 0 IJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCC)=C1C ZINC000035709999 521700969 /nfs/dbraw/zinc/70/09/69/521700969.db2.gz KJWKZTSJTDWYIF-OAQYLSRUSA-N 0 0 427.545 4.519 50 0 IJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NCc1cccc(OC)c1)CC2 ZINC000021101150 521730443 /nfs/dbraw/zinc/73/04/43/521730443.db2.gz KCHAKECKZIZPFL-UHFFFAOYSA-N 0 0 444.579 4.835 50 0 biogenic IJAARN COCCOc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385488 521751418 /nfs/dbraw/zinc/75/14/18/521751418.db2.gz MQBCAASTNYPWPX-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(C)cc2C)n1 ZINC000041157962 521788430 /nfs/dbraw/zinc/78/84/30/521788430.db2.gz CACKPTVZTQPZQQ-KRWDZBQOSA-N 0 0 434.993 4.642 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(CC)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910549 521792500 /nfs/dbraw/zinc/79/25/00/521792500.db2.gz MSOLISBGNSUKRX-NRFANRHFSA-N 0 0 425.523 4.695 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000035887544 521820660 /nfs/dbraw/zinc/82/06/60/521820660.db2.gz ZZHMSQLWVKXHAH-XMMPIXPASA-N 0 0 446.570 4.666 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(OC)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000035688021 521846757 /nfs/dbraw/zinc/84/67/57/521846757.db2.gz ZATPYYRTVRWKGC-YADARESESA-N 0 0 437.584 4.713 50 0 IJAARN CCc1ccccc1NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020939633 521880670 /nfs/dbraw/zinc/88/06/70/521880670.db2.gz GBDAUEDRTCPHCP-UHFFFAOYSA-N 0 0 432.549 4.969 50 0 IJAARN COc1cc(-c2cc(C(=O)NCc3nc(C)cs3)c3ccccc3n2)cc(OC)c1OC ZINC000021482376 521894430 /nfs/dbraw/zinc/89/44/30/521894430.db2.gz MKRVVXLOOROQCJ-UHFFFAOYSA-N 0 0 449.532 4.623 50 0 IJAARN COc1cc(-c2nc(-c3c(C)nc4sccn43)sc2C(C)=O)cc(OC)c1OC ZINC000012531226 521901320 /nfs/dbraw/zinc/90/13/20/521901320.db2.gz VGSVRMKUMMVPPE-UHFFFAOYSA-N 0 0 429.523 4.723 50 0 IJAARN COC(=O)c1ccc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)cc1 ZINC000036773821 521945374 /nfs/dbraw/zinc/94/53/74/521945374.db2.gz FINSNSVGVWLFKK-VMPITWQZSA-N 0 0 429.472 4.605 50 0 IJAARN CC[C@H](C)c1ccc([C@H](NC(=O)Cn2ncc3ccccc3c2=O)c2cccs2)cc1 ZINC000013007050 522041957 /nfs/dbraw/zinc/04/19/57/522041957.db2.gz PZEWIQHLCJZUBV-XDHUDOTRSA-N 0 0 431.561 4.877 50 0 IJAARN COC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)c1 ZINC000012794358 522059816 /nfs/dbraw/zinc/05/98/16/522059816.db2.gz ZBONOFLCEVNZTN-UHFFFAOYSA-N 0 0 432.885 4.520 50 0 IJAARN CC[C@@H](C)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C(C)C ZINC000035394183 522067081 /nfs/dbraw/zinc/06/70/81/522067081.db2.gz UFWHHJDGWWFOEL-GOSISDBHSA-N 0 0 444.597 4.597 50 0 IJAARN COC(=O)c1ccc(N2CCC(C)CC2)c(NC(=O)c2ccc(SC)cc2OC)c1 ZINC000012417819 522077741 /nfs/dbraw/zinc/07/77/41/522077741.db2.gz LKMHBJCRKUJZJZ-UHFFFAOYSA-N 0 0 428.554 4.692 50 0 IJAARN COCCn1ccc2c1cccc2NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000238899597 522134212 /nfs/dbraw/zinc/13/42/12/522134212.db2.gz GTRJBCYSWVSSNW-IYARVYRRSA-N 0 0 429.561 4.557 50 0 IJAARN COc1cc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc(OC)c1Br ZINC000012754502 522157693 /nfs/dbraw/zinc/15/76/93/522157693.db2.gz JQSCIESKARGUBG-UHFFFAOYSA-N 0 0 435.318 4.703 50 0 IJAARN COC(=O)c1ccc2c(c1)nc(CSc1nc3ccccc3n1C1CCCCC1)[nH]c2=O ZINC000024758366 522183613 /nfs/dbraw/zinc/18/36/13/522183613.db2.gz YZZITMWZKZBULE-UHFFFAOYSA-N 0 0 448.548 4.857 50 0 IJAARN COC(=O)c1cccc(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)c1 ZINC000012528642 522219305 /nfs/dbraw/zinc/21/93/05/522219305.db2.gz JYUXCKKJLNWERT-GOSISDBHSA-N 0 0 436.581 4.893 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1 ZINC000035928494 522219986 /nfs/dbraw/zinc/21/99/86/522219986.db2.gz CZSKMHWHXBYHQA-QHCPKHFHSA-N 0 0 437.590 4.774 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242749 522220087 /nfs/dbraw/zinc/22/00/87/522220087.db2.gz ABOJIZFHQHAQOD-AUMHUTNHSA-N 0 0 432.545 4.542 50 0 IJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@@H]1CCCO1)C(=O)NC(C)(C)C ZINC000035945033 522223107 /nfs/dbraw/zinc/22/31/07/522223107.db2.gz YPTNLCYGQYQTHK-FQEVSTJZSA-N 0 0 446.636 4.616 50 0 IJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000035946175 522223682 /nfs/dbraw/zinc/22/36/82/522223682.db2.gz KIKGIOOPHINPSC-UHFFFAOYSA-N 0 0 435.499 4.676 50 0 IJAARN COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000012539130 522271202 /nfs/dbraw/zinc/27/12/02/522271202.db2.gz YYCTVJHYZHJITI-UHFFFAOYSA-N 0 0 446.484 4.545 50 0 IJAARN COc1cc(CN2CCCN(c3ccccc3NC(=O)C3CCCC3)C2=O)cc(OC)c1 ZINC000034735237 522373489 /nfs/dbraw/zinc/37/34/89/522373489.db2.gz UEYOOTQPRPVYRH-UHFFFAOYSA-N 0 0 437.540 4.665 50 0 IJAARN COc1cc(CNC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc(OC)c1OC ZINC000012918123 522406150 /nfs/dbraw/zinc/40/61/50/522406150.db2.gz LUPPQJFLIVZJDQ-WOJGMQOQSA-N 0 0 427.497 4.770 50 0 IJAARN COC(=O)c1sccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915343 522447266 /nfs/dbraw/zinc/44/72/66/522447266.db2.gz LLNSYUXZQHYCEH-UHFFFAOYSA-N 0 0 449.532 4.624 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl)C(=O)C1CC1 ZINC000035948281 522452135 /nfs/dbraw/zinc/45/21/35/522452135.db2.gz QTZMXWCMBVSGGT-FQEVSTJZSA-N 0 0 430.335 4.540 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000012749920 522497863 /nfs/dbraw/zinc/49/78/63/522497863.db2.gz HGYRMGMASLBWNR-UHFFFAOYSA-N 0 0 427.715 4.707 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404109 522510379 /nfs/dbraw/zinc/51/03/79/522510379.db2.gz WVSWMJSRURKBKE-UHFFFAOYSA-N 0 0 436.943 4.571 50 0 IJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000012866041 522518898 /nfs/dbraw/zinc/51/88/98/522518898.db2.gz QLYHFQIZLGQDEX-UHFFFAOYSA-N 0 0 447.276 4.772 50 0 IJAARN COc1cc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc(OC)c1OC ZINC000044890932 522675549 /nfs/dbraw/zinc/67/55/49/522675549.db2.gz WRFBKCISYCYMAW-UHFFFAOYSA-N 0 0 446.503 4.885 50 0 IJAARN COCC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035946164 522733452 /nfs/dbraw/zinc/73/34/52/522733452.db2.gz YUXRVMWQXFVSBM-LJQANCHMSA-N 0 0 437.584 4.618 50 0 IJAARN COCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)[C@H](C)C(C)C ZINC000035947408 522734219 /nfs/dbraw/zinc/73/42/19/522734219.db2.gz CXUKTLSCUUZWJR-QGZVFWFLSA-N 0 0 445.991 4.678 50 0 IJAARN COc1cc(Nc2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)cc(OC)c1 ZINC000015779011 522768239 /nfs/dbraw/zinc/76/82/39/522768239.db2.gz NBRFBQMQLSBPNT-UHFFFAOYSA-N 0 0 428.895 4.588 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(Br)o1)CC2 ZINC000012792423 523042616 /nfs/dbraw/zinc/04/26/16/523042616.db2.gz CACIKOSQAHZPSY-IBGZPJMESA-N 0 0 448.338 4.909 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccccc1C)N(Cc1ccc(C)cc1)CC2 ZINC000036040976 523046483 /nfs/dbraw/zinc/04/64/83/523046483.db2.gz SARAVBBHMHXLCD-VWLOTQADSA-N 0 0 444.575 4.850 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1cn(CC(C)C)c(=O)c3ccccc13)CC2 ZINC000020941463 523046876 /nfs/dbraw/zinc/04/68/76/523046876.db2.gz UQMDBORFWVBLAY-KRWDZBQOSA-N 0 0 449.551 4.826 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccccc1)CC2 ZINC000036043122 523048718 /nfs/dbraw/zinc/04/87/18/523048718.db2.gz PJSVLVUCKIHMGS-SIBVEZHUSA-N 0 0 430.548 4.622 50 0 IJAARN CCn1c(-c2ccccc2OC)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S ZINC000012931684 523084704 /nfs/dbraw/zinc/08/47/04/523084704.db2.gz BKTYWTDOHGCRTL-UHFFFAOYSA-N 0 0 436.581 4.662 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)no2)cc1 ZINC000021805284 523097603 /nfs/dbraw/zinc/09/76/03/523097603.db2.gz DSWBBEBAGKJZRN-JOCHJYFZSA-N 0 0 439.943 4.961 50 0 IJAARN CCn1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1C(=O)OC ZINC000036025248 523123077 /nfs/dbraw/zinc/12/30/77/523123077.db2.gz CWICTVOUCFSHRH-MRXNPFEDSA-N 0 0 432.948 4.687 50 0 IJAARN COc1ccc(-c2cn3c(C(=O)N4CCC[C@@H]4c4nccs4)csc3n2)cc1F ZINC000012307397 523143604 /nfs/dbraw/zinc/14/36/04/523143604.db2.gz ZIZGUMQRVNBQTO-OAHLLOKOSA-N 0 0 428.514 4.644 50 0 IJAARN COc1ccc(-c2csc(NC(=O)[C@]34CCC(=O)N3c3ccccc3S4)n2)cc1F ZINC000017579990 523169996 /nfs/dbraw/zinc/16/99/96/523169996.db2.gz PTEGGPLKHPXEGX-OAQYLSRUSA-N 0 0 441.509 4.525 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000016212798 523178175 /nfs/dbraw/zinc/17/81/75/523178175.db2.gz PDKKHHQPHPDPAV-OAQYLSRUSA-N 0 0 444.597 4.583 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)s2)cc1OC ZINC000011866029 523190056 /nfs/dbraw/zinc/19/00/56/523190056.db2.gz RUJIUPPNSBPDJO-AWEZNQCLSA-N 0 0 435.549 4.978 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3OC)nn2-c2ccccc2Cl)cc1 ZINC000014610086 523191967 /nfs/dbraw/zinc/19/19/67/523191967.db2.gz YDQVHALXBBPUMP-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012891275 523194350 /nfs/dbraw/zinc/19/43/50/523194350.db2.gz GCLGJOMFBRVUQM-UHFFFAOYSA-N 0 0 439.309 4.866 50 0 IJAARN COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(C)c4)c3C)c(C)o2)cc1 ZINC000012415840 523210320 /nfs/dbraw/zinc/21/03/20/523210320.db2.gz OIJOHNBNDCUBQD-UHFFFAOYSA-N 0 0 432.480 4.522 50 0 IJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000012787332 523217723 /nfs/dbraw/zinc/21/77/23/523217723.db2.gz JXFMKEGVSOUFNJ-UHFFFAOYSA-N 0 0 437.609 4.752 50 0 IJAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)[C@H]2CCCO2)C2CC2)cc1OC ZINC000011997601 523230384 /nfs/dbraw/zinc/23/03/84/523230384.db2.gz SIZXQSQXXOXFHV-XMMPIXPASA-N 0 0 446.547 4.897 50 0 IJAARN COc1ccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)cc1OC ZINC000020233802 523244315 /nfs/dbraw/zinc/24/43/15/523244315.db2.gz LAUAAEBOYYTJIK-UHFFFAOYSA-N 0 0 435.549 4.600 50 0 IJAARN COCCCN(Cc1cc2ccc(OC)cc2nc1-c1ccccc1C)C(=O)[C@H]1CCCO1 ZINC000014986393 523263963 /nfs/dbraw/zinc/26/39/63/523263963.db2.gz PHYWCIORBBYOGA-RUZDIDTESA-N 0 0 448.563 4.763 50 0 IJAARN CN(Cc1ccc(OC(F)F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000012810752 523273790 /nfs/dbraw/zinc/27/37/90/523273790.db2.gz WFIFOXKDHHJOGT-UHFFFAOYSA-N 0 0 427.476 4.656 50 0 IJAARN COc1ccc(-n2c(CNC(=O)c3ccc(F)cc3)nnc2SCc2ccccc2)cc1 ZINC000015071013 523317832 /nfs/dbraw/zinc/31/78/32/523317832.db2.gz QZOLPCSAZBUCDU-UHFFFAOYSA-N 0 0 448.523 4.637 50 0 IJAARN CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cccs2)C1 ZINC000034739986 523338069 /nfs/dbraw/zinc/33/80/69/523338069.db2.gz YPHGBBIORDRNMP-VWNXMTODSA-N 0 0 432.589 4.929 50 0 IJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccccc4)cc3NC2=O)cc1OC ZINC000020736563 523417587 /nfs/dbraw/zinc/41/75/87/523417587.db2.gz YDNQJGTXVKQLJB-YDZHTSKRSA-N 0 0 446.528 4.719 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)C3CC3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035873223 523418832 /nfs/dbraw/zinc/41/88/32/523418832.db2.gz WFXIWHZFUIVXLD-LJQANCHMSA-N 0 0 432.442 4.754 50 0 IJAARN COc1ccc(/C=C2\N=C(SCc3cccnc3)N(c3cccc(OC)c3)C2=O)cc1 ZINC000012526858 523419681 /nfs/dbraw/zinc/41/96/81/523419681.db2.gz NKAPVSOPLOCBFR-XKZIYDEJSA-N 0 0 431.517 4.776 50 0 IJAARN CCn1cc([C@@H](CC(=O)NCc2ccncc2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872341 523461308 /nfs/dbraw/zinc/46/13/08/523461308.db2.gz HYFPVMWNTPDYOF-DEOSSOPVSA-N 0 0 443.547 4.912 50 0 IJAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012862393 523508490 /nfs/dbraw/zinc/50/84/90/523508490.db2.gz SUYBFMPXAKKBAI-SFHVURJKSA-N 0 0 438.368 4.587 50 0 IJAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000012630807 523564152 /nfs/dbraw/zinc/56/41/52/523564152.db2.gz YKAIHJLGXPZVKJ-JOCHJYFZSA-N 0 0 449.576 4.607 50 0 biogenic IJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883996 523607291 /nfs/dbraw/zinc/60/72/91/523607291.db2.gz IWVJDAOXXCSXGA-QHCPKHFHSA-N 0 0 432.495 4.707 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)C3CCCC3)ccc2N(C)C)CC2CC2)cc1 ZINC000035946262 523615420 /nfs/dbraw/zinc/61/54/20/523615420.db2.gz HPLSGNSVJQJYFX-UHFFFAOYSA-N 0 0 449.595 4.942 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)c2ccccc12 ZINC000012878637 523620848 /nfs/dbraw/zinc/62/08/48/523620848.db2.gz MHZNTWVNGIJNCL-UHFFFAOYSA-N 0 0 430.504 4.542 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4cccc(F)c4)c3)C2)cc1 ZINC000033034788 523635535 /nfs/dbraw/zinc/63/55/35/523635535.db2.gz QMLWGSDMCWPTSZ-HSZRJFAPSA-N 0 0 446.522 4.784 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cc1F ZINC000012449114 523640939 /nfs/dbraw/zinc/64/09/39/523640939.db2.gz PIKZCGGNFQTPOX-SFHVURJKSA-N 0 0 449.482 4.513 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccc(F)c4)c3)C2)cc1 ZINC000033034790 523642757 /nfs/dbraw/zinc/64/27/57/523642757.db2.gz QMLWGSDMCWPTSZ-QHCPKHFHSA-N 0 0 446.522 4.784 50 0 IJAARN COc1ccc(C(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000012422083 523673351 /nfs/dbraw/zinc/67/33/51/523673351.db2.gz RSGIAMWOTGXHFQ-DEOSSOPVSA-N 0 0 438.487 4.639 50 0 IJAARN COc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2cc(C)ccc2C)cc1OC ZINC000012539137 523701945 /nfs/dbraw/zinc/70/19/45/523701945.db2.gz NIXMTYWKMKVZCU-UHFFFAOYSA-N 0 0 443.547 4.691 50 0 IJAARN CCc1c(C)sc(NC(=O)[C@H](CC)n2nc(C(F)(F)F)c3c2CCC3)c1C(=O)OC ZINC000020607575 523716460 /nfs/dbraw/zinc/71/64/60/523716460.db2.gz AGKSCUIWNAVFPF-ZDUSSCGKSA-N 0 0 443.491 4.699 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCC1 ZINC000035980653 523735634 /nfs/dbraw/zinc/73/56/34/523735634.db2.gz MQGLKHKCSBRIFE-UHFFFAOYSA-N 0 0 433.552 4.963 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CCC1 ZINC000035976424 523738388 /nfs/dbraw/zinc/73/83/88/523738388.db2.gz XTQIJMFDNRYTRX-UHFFFAOYSA-N 0 0 449.551 4.757 50 0 IJAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Br ZINC000016227035 523745495 /nfs/dbraw/zinc/74/54/95/523745495.db2.gz SYYWPDXZSANGOD-UHFFFAOYSA-N 0 0 445.269 4.564 50 0 IJAARN CC[C@H](C(=O)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000033310350 523757067 /nfs/dbraw/zinc/75/70/67/523757067.db2.gz RSFDHYAVHKVKSA-QHCPKHFHSA-N 0 0 434.580 4.734 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1Br ZINC000022294984 523764682 /nfs/dbraw/zinc/76/46/82/523764682.db2.gz FVPPJHCHLQGCTG-CHWSQXEVSA-N 0 0 438.391 4.644 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)cc1Br ZINC000022294982 523764945 /nfs/dbraw/zinc/76/49/45/523764945.db2.gz FVPPJHCHLQGCTG-BETUJISGSA-N 0 0 438.391 4.644 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563394 523799012 /nfs/dbraw/zinc/79/90/12/523799012.db2.gz ZORRLNYIYKQSTO-HXUWFJFHSA-N 0 0 449.942 4.751 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(Cl)cc2)C12CCCCC2 ZINC000020745321 523808808 /nfs/dbraw/zinc/80/88/08/523808808.db2.gz VANOQAHJZDNYOG-QFIPXVFZSA-N 0 0 440.971 4.545 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)cc(C)c2)[C@H]1c1ccccc1 ZINC000034927896 523810759 /nfs/dbraw/zinc/81/07/59/523810759.db2.gz ZFJPIRWEMLXUGT-LOSJGSFVSA-N 0 0 428.532 4.869 50 0 IJAARN CO[C@H](C(=O)N1CCC[C@H](c2nc(SCc3ccccn3)ncc2C)C1)c1ccccc1 ZINC000012098949 523821962 /nfs/dbraw/zinc/82/19/62/523821962.db2.gz LXIGWATWWXQYGU-REWPJTCUSA-N 0 0 448.592 4.566 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022791902 523837830 /nfs/dbraw/zinc/83/78/30/523837830.db2.gz HYXFHTXTIMGOOU-XMMPIXPASA-N 0 0 435.593 4.563 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)COc1ccc(C)cc1OC)c1ccccc1 ZINC000020919308 523839240 /nfs/dbraw/zinc/83/92/40/523839240.db2.gz AQLPKLOHCJLYRY-RUZDIDTESA-N 0 0 449.503 4.623 50 0 IJAARN COc1ccc(C2(CN(C)C(=O)C3(c4ccccc4)CCCC3)CCOCC2)cc1OC ZINC000012657018 523866900 /nfs/dbraw/zinc/86/69/00/523866900.db2.gz BDPBXGFOZLKEAA-UHFFFAOYSA-N 0 0 437.580 4.722 50 0 biogenic IJAARN COc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c(Br)c1 ZINC000020616071 523873215 /nfs/dbraw/zinc/87/32/15/523873215.db2.gz SSFMQQIGZLOGGU-NVNXTCNLSA-N 0 0 426.188 4.821 50 0 IJAARN COc1ccc(C2=N/C(=C\c3cc(Br)cs3)C(=O)O2)cc1Br ZINC000020616126 523873645 /nfs/dbraw/zinc/87/36/45/523873645.db2.gz QZJHKJZQBSJCAA-SDQBBNPISA-N 0 0 443.116 4.626 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000012420919 523877386 /nfs/dbraw/zinc/87/73/86/523877386.db2.gz JABOKOWXLGMSRA-FQEVSTJZSA-N 0 0 444.516 4.700 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(OC)c3)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000035835781 523880816 /nfs/dbraw/zinc/88/08/16/523880816.db2.gz MIGYSYTUPYWFHB-DEOSSOPVSA-N 0 0 448.494 4.679 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4ccc(OC)cc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021857361 523964372 /nfs/dbraw/zinc/96/43/72/523964372.db2.gz YRPKBOFUZQJAEM-HHHXNRCGSA-N 0 0 445.563 4.690 50 0 IJAARN COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000022504861 523964972 /nfs/dbraw/zinc/96/49/72/523964972.db2.gz AHFAPVCAYFNGSA-UHFFFAOYSA-N 0 0 429.520 4.652 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1OC ZINC000020415568 523973948 /nfs/dbraw/zinc/97/39/48/523973948.db2.gz USVMPCVIPSAUMZ-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN CN1CCc2c3ccccc3[nH]c2[C@H]1CC(=O)C[C@@H]1c2[nH]c3ccccc3c2CCN1C ZINC000035877368 523996934 /nfs/dbraw/zinc/99/69/34/523996934.db2.gz STCPBUYCVAARLB-JWQCQUIFSA-N 0 0 426.564 4.757 50 0 biogenic IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN31)C(=O)N2 ZINC000012130215 524059507 /nfs/dbraw/zinc/05/95/07/524059507.db2.gz XUOGEOZHIBMGRM-YADARESESA-N 0 0 431.517 4.668 50 0 IJAARN CCc1cccc(C)c1Nc1nc(N)c(C(=O)c2ccc(OC)c(OC)c2OC)s1 ZINC000032948042 524066328 /nfs/dbraw/zinc/06/63/28/524066328.db2.gz OJIGMBYCFRKAOQ-UHFFFAOYSA-N 0 0 427.526 4.597 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c(OC)c1 ZINC000035505013 524066935 /nfs/dbraw/zinc/06/69/35/524066935.db2.gz NVPLRAOLTMBZIM-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000035887480 524110631 /nfs/dbraw/zinc/11/06/31/524110631.db2.gz OOWJLVLMLVWRGH-UHFFFAOYSA-N 0 0 448.998 4.917 50 0 IJAARN Cc1cccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017135537 524120558 /nfs/dbraw/zinc/12/05/58/524120558.db2.gz RNMSZTRPULJSHE-QHCPKHFHSA-N 0 0 436.519 4.885 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000021809195 524141531 /nfs/dbraw/zinc/14/15/31/524141531.db2.gz IBAALCYQPXUOJQ-ZTEVPRNISA-N 0 0 449.620 4.855 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021811234 524141785 /nfs/dbraw/zinc/14/17/85/524141785.db2.gz RMCNNJWRWDIFHW-WXJXEWBDSA-N 0 0 447.579 4.777 50 0 IJAARN COc1ccc(C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)c2ccc(OC)cc2)cc1 ZINC000013128433 524155799 /nfs/dbraw/zinc/15/57/99/524155799.db2.gz QBFBLSLKVXRXHX-VWLOTQADSA-N 0 0 427.504 4.603 50 0 IJAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)s2)c(C)o1 ZINC000042379238 524188782 /nfs/dbraw/zinc/18/87/82/524188782.db2.gz FICSOTWQBQNCRK-UHFFFAOYSA-N 0 0 440.909 4.524 50 0 IJAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000012799087 524189876 /nfs/dbraw/zinc/18/98/76/524189876.db2.gz YXRKCJWPFJPJHH-GJZGRUSLSA-N 0 0 429.567 4.500 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2nc3ccccc3o2)cc1 ZINC000021389378 524256315 /nfs/dbraw/zinc/25/63/15/524256315.db2.gz MWPSUMWPEZLZQF-UHFFFAOYSA-N 0 0 429.501 4.887 50 0 IJAARN COc1ccc(Cn2nccc2NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1 ZINC000012748046 524266601 /nfs/dbraw/zinc/26/66/01/524266601.db2.gz HLSKOIVYZDXORD-UHFFFAOYSA-N 0 0 441.487 4.825 50 0 IJAARN COc1ccccc1-c1nn(CCC(=O)NCCCc2ccccc2)c2nc(C)cc(C)c12 ZINC000021148561 524284478 /nfs/dbraw/zinc/28/44/78/524284478.db2.gz QAPSRSCFVCPIMF-UHFFFAOYSA-N 0 0 442.563 4.863 50 0 IJAARN COc1ccccc1-c1noc(Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)n1 ZINC000012909706 524296196 /nfs/dbraw/zinc/29/61/96/524296196.db2.gz WGOUAEVAYCDDAN-UHFFFAOYSA-N 0 0 430.489 4.540 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000022907935 524322868 /nfs/dbraw/zinc/32/28/68/524322868.db2.gz MQHIHAQTPUEGFO-JOCHJYFZSA-N 0 0 440.634 4.751 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2ccccc2)cc1 ZINC000023967998 524388162 /nfs/dbraw/zinc/38/81/62/524388162.db2.gz YAYCRADZYCJVAY-FPOVZHCZSA-N 0 0 448.548 4.547 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862685 524412107 /nfs/dbraw/zinc/41/21/07/524412107.db2.gz FOHHJZXHWGIGKO-MHZLTWQESA-N 0 0 444.579 4.533 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000033331950 524413255 /nfs/dbraw/zinc/41/32/55/524413255.db2.gz WXNVNSDLULRQKB-QRRVGDGBSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccco2)C(C)C)s1 ZINC000035808157 524416475 /nfs/dbraw/zinc/41/64/75/524416475.db2.gz SILHRPHJARJNIF-UHFFFAOYSA-N 0 0 428.529 4.868 50 0 IJAARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871873 524418756 /nfs/dbraw/zinc/41/87/56/524418756.db2.gz ADXHWHNXIYLIKJ-PZJWPPBQSA-N 0 0 432.486 4.604 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)COc2ccccc2)C(C)(C)C)o1 ZINC000035764681 524419094 /nfs/dbraw/zinc/41/90/94/524419094.db2.gz UDXFLWZQZYBYRJ-UHFFFAOYSA-N 0 0 448.563 4.823 50 0 IJAARN Cc1ccc(CN(c2ccc(C(=O)NCc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000012447704 524423156 /nfs/dbraw/zinc/42/31/56/524423156.db2.gz ZTCPHGZZKDFNBD-UHFFFAOYSA-N 0 0 442.968 4.545 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021859433 524432208 /nfs/dbraw/zinc/43/22/08/524432208.db2.gz ANOPCDGVFXCIKL-NDEPHWFRSA-N 0 0 437.543 4.681 50 0 IJAARN C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)c5ccccc5)CC4)c32)C1 ZINC000035865241 524436710 /nfs/dbraw/zinc/43/67/10/524436710.db2.gz LURFQKQJACDFDH-INIZCTEOSA-N 0 0 432.593 4.656 50 0 IJAARN COc1ccccc1CN(Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccccc1 ZINC000036053768 524443503 /nfs/dbraw/zinc/44/35/03/524443503.db2.gz DAJVSQGEDOEFEY-UHFFFAOYSA-N 0 0 441.531 4.816 50 0 IJAARN Cc1cccc(Cc2nnc(CCC(=O)NCC[C@H](c3ccco3)c3ccc(F)cc3)o2)c1 ZINC000012208024 524472835 /nfs/dbraw/zinc/47/28/35/524472835.db2.gz JVRKUVBLVCPDOK-QFIPXVFZSA-N 0 0 447.510 4.972 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3nc(C)nc4oc(C)c(C)c43)CC2)cc1Cl ZINC000032960164 524473596 /nfs/dbraw/zinc/47/35/96/524473596.db2.gz BCJXTPHMOSOXOB-UHFFFAOYSA-N 0 0 428.920 4.665 50 0 IJAARN COc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000033012952 524483001 /nfs/dbraw/zinc/48/30/01/524483001.db2.gz MRALDIXDKOCIGT-UHFFFAOYSA-N 0 0 429.476 4.563 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398648 524529596 /nfs/dbraw/zinc/52/95/96/524529596.db2.gz WZKLJTODMCIQTC-IBGZPJMESA-N 0 0 432.543 4.637 50 0 IJAARN COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c(OC)c1 ZINC000021944669 524541767 /nfs/dbraw/zinc/54/17/67/524541767.db2.gz AZQDQGBOGOGQBM-UHFFFAOYSA-N 0 0 436.487 4.582 50 0 biogenic IJAARN COc1ccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(Cl)cc2)=N3)cc1 ZINC000020578468 524541946 /nfs/dbraw/zinc/54/19/46/524541946.db2.gz MESSBIKCDZBXRO-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)cc1 ZINC000035536994 524545085 /nfs/dbraw/zinc/54/50/85/524545085.db2.gz XZOQOXFQGZESFZ-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000012543581 524563904 /nfs/dbraw/zinc/56/39/04/524563904.db2.gz UORWZCKLUGVYOS-UHFFFAOYSA-N 0 0 439.462 4.577 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccsc2)n1 ZINC000035171203 524575219 /nfs/dbraw/zinc/57/52/19/524575219.db2.gz GQLBHUYYZMCZFQ-FQEVSTJZSA-N 0 0 433.562 4.782 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)cc1Cl ZINC000035597388 524579573 /nfs/dbraw/zinc/57/95/73/524579573.db2.gz ODAUEKXZVDMUNM-UHFFFAOYSA-N 0 0 435.875 4.712 50 0 IJAARN C[C@@H](CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021860519 524588132 /nfs/dbraw/zinc/58/81/32/524588132.db2.gz SUGRTHDZCJJXAE-UZTOHYMASA-N 0 0 444.579 4.503 50 0 IJAARN C[C@@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1)c1ccccc1 ZINC000021810980 524588569 /nfs/dbraw/zinc/58/85/69/524588569.db2.gz NAFPVKCFFGITIS-LWMXYDOESA-N 0 0 447.579 4.947 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N(C)Cc4ccccc4)sc32)c1 ZINC000035534177 524604675 /nfs/dbraw/zinc/60/46/75/524604675.db2.gz YRUBFIHLQHQZCV-UHFFFAOYSA-N 0 0 435.578 4.762 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(Cl)ccc2C)cs1 ZINC000015880766 524617608 /nfs/dbraw/zinc/61/76/08/524617608.db2.gz ALDAGJQFSQMFGH-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(OC)cc2)N3)cc1 ZINC000018210231 524629118 /nfs/dbraw/zinc/62/91/18/524629118.db2.gz UVZHTUDICVMEQI-IEBWSBKVSA-N 0 0 446.429 4.813 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2Cl)cc1CN1CCn2c3ccccc3nc2C1 ZINC000021800243 524645808 /nfs/dbraw/zinc/64/58/08/524645808.db2.gz LDCWUXBMMGIMDY-UHFFFAOYSA-N 0 0 446.938 4.966 50 0 IJAARN COc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1Cl ZINC000020768172 524650544 /nfs/dbraw/zinc/65/05/44/524650544.db2.gz GMNQUWCVUWDHSU-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012678779 524662125 /nfs/dbraw/zinc/66/21/25/524662125.db2.gz WUEVBGBYYOBRLT-VWLOTQADSA-N 0 0 443.547 4.569 50 0 IJAARN Cc1cccc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 ZINC000009661646 524664477 /nfs/dbraw/zinc/66/44/77/524664477.db2.gz SBCPHEOHAAYUSK-UHFFFAOYSA-N 0 0 434.499 4.748 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012529340 524670674 /nfs/dbraw/zinc/67/06/74/524670674.db2.gz IGNFBWDLXRVDGG-UHFFFAOYSA-N 0 0 446.532 4.723 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N[C@@H]3CCC[C@H](C)[C@H]3C)cc2)cc1 ZINC000035907747 524692706 /nfs/dbraw/zinc/69/27/06/524692706.db2.gz YAJYPWFLDBNJMO-GCKMJXCFSA-N 0 0 447.626 4.607 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Cc3ccc(Cl)cc3)c2)cc1 ZINC000012808972 524692927 /nfs/dbraw/zinc/69/29/27/524692927.db2.gz VSLIIRDXORHRSQ-UHFFFAOYSA-N 0 0 444.940 4.639 50 0 IJAARN COc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 ZINC000012524947 524722141 /nfs/dbraw/zinc/72/21/41/524722141.db2.gz NCOCMFCJOSEGIX-GOSISDBHSA-N 0 0 426.567 4.746 50 0 IJAARN Cc1cccc(OCc2nc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)no2)c1 ZINC000033327459 524766128 /nfs/dbraw/zinc/76/61/28/524766128.db2.gz FEVSDORTORKLTD-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN Cc1ccc(Cn2nc(Br)nc2Sc2ccccc2NC(=O)C2CC2)cc1 ZINC000033036196 524775272 /nfs/dbraw/zinc/77/52/72/524775272.db2.gz GDKVNKVBKJFYIC-UHFFFAOYSA-N 0 0 443.370 4.897 50 0 IJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccc(F)cc3)C(=O)NC(C)C)no2)c1 ZINC000036012742 524792371 /nfs/dbraw/zinc/79/23/71/524792371.db2.gz HSVJOSJXIAQCCB-UHFFFAOYSA-N 0 0 427.476 4.618 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)c1 ZINC000013361680 524868990 /nfs/dbraw/zinc/86/89/90/524868990.db2.gz NSIHYMDPFPHWQP-ZDUSSCGKSA-N 0 0 426.542 4.648 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1C ZINC000021810937 524930892 /nfs/dbraw/zinc/93/08/92/524930892.db2.gz FSLRHWMKNOMGGZ-MKTSZQRWSA-N 0 0 433.552 4.965 50 0 IJAARN C[C@H](NC(=O)CCSCc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000012930733 524936589 /nfs/dbraw/zinc/93/65/89/524936589.db2.gz PGJIXYDOWPUJBB-AWEZNQCLSA-N 0 0 436.371 4.721 50 0 IJAARN COc1ccc(OC[C@@H](O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000012515325 524968122 /nfs/dbraw/zinc/96/81/22/524968122.db2.gz DLHIENSQJLNOBO-QGZVFWFLSA-N 0 0 439.562 4.536 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1C ZINC000013944227 524987301 /nfs/dbraw/zinc/98/73/01/524987301.db2.gz MJQFSBZRYHIGCW-OAHLLOKOSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1F ZINC000035847819 525025718 /nfs/dbraw/zinc/02/57/18/525025718.db2.gz GFGZTSPUURJPFJ-UHFFFAOYSA-N 0 0 432.524 4.790 50 0 IJAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(SC(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000012908461 525028561 /nfs/dbraw/zinc/02/85/61/525028561.db2.gz JNMDDXKSLRDQQS-TXEJJXNPSA-N 0 0 431.505 4.617 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1cc(=O)c2ccccc2o1 ZINC000012385892 525033461 /nfs/dbraw/zinc/03/34/61/525033461.db2.gz XTGSAAYEBCOJEF-LJQANCHMSA-N 0 0 427.504 4.731 50 0 IJAARN Cc1ccccc1C(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000035927362 525065445 /nfs/dbraw/zinc/06/54/45/525065445.db2.gz WELCMMDEAOPJGH-DEOSSOPVSA-N 0 0 432.501 4.755 50 0 IJAARN C[C@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)cc2NC1=O ZINC000012522240 525078847 /nfs/dbraw/zinc/07/88/47/525078847.db2.gz VKVNYXLXMMDLFP-GFCCVEGCSA-N 0 0 435.471 4.991 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(C)c(F)c4)n3)cc2)cc1 ZINC000033276462 525081204 /nfs/dbraw/zinc/08/12/04/525081204.db2.gz YDPPISUOHZKFBG-UHFFFAOYSA-N 0 0 439.468 4.661 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1NC(C)=O ZINC000012605625 525089935 /nfs/dbraw/zinc/08/99/35/525089935.db2.gz ATGWGEKFFWUDCJ-UHFFFAOYSA-N 0 0 442.562 4.747 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Cl)ccc32)c(C)c1 ZINC000035535269 525103379 /nfs/dbraw/zinc/10/33/79/525103379.db2.gz DDJHKRFJSSYGLG-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN C[C@@H](NC(=O)CN1c2ccccc2Oc2ncccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000015679941 525111693 /nfs/dbraw/zinc/11/16/93/525111693.db2.gz IJBBWRBBPDYCRU-KRGUIMPISA-N 0 0 431.536 4.555 50 0 IJAARN COc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)cc1 ZINC000012203948 525128707 /nfs/dbraw/zinc/12/87/07/525128707.db2.gz FWRJSGPXVUNVRZ-CTNGQTDRSA-N 0 0 432.568 4.691 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021863176 525134692 /nfs/dbraw/zinc/13/46/92/525134692.db2.gz YFUJVLNKESWXEJ-MHZLTWQESA-N 0 0 445.563 4.920 50 0 IJAARN Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)on1 ZINC000012527040 525150892 /nfs/dbraw/zinc/15/08/92/525150892.db2.gz PSMVLPPUWKRSPM-UHFFFAOYSA-N 0 0 433.436 4.837 50 0 IJAARN Cc1cc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)no1 ZINC000032988037 525154001 /nfs/dbraw/zinc/15/40/01/525154001.db2.gz OCKCWGCPBLTEDD-UHFFFAOYSA-N 0 0 431.901 4.739 50 0 IJAARN COc1ccc([C@@H](CC(=O)NCc2ccc(Cl)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560582 525170562 /nfs/dbraw/zinc/17/05/62/525170562.db2.gz KVERWWAFROLRHB-HSZRJFAPSA-N 0 0 434.923 4.752 50 0 IJAARN COc1ccc([C@@H](CC(=O)Nc2cccc(C(C)=O)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560672 525172442 /nfs/dbraw/zinc/17/24/42/525172442.db2.gz HZNGXOVJNCZSGB-XMMPIXPASA-N 0 0 428.488 4.624 50 0 IJAARN Cc1ccc(NC(=O)Nc2cccc(F)c2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033067926 525187585 /nfs/dbraw/zinc/18/75/85/525187585.db2.gz BODKCVOOGKYWLM-UHFFFAOYSA-N 0 0 432.455 4.673 50 0 IJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288888 525229708 /nfs/dbraw/zinc/22/97/08/525229708.db2.gz LPVILOVMOHCBRE-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1ccc(Cl)cc1 ZINC000012470327 525232582 /nfs/dbraw/zinc/23/25/82/525232582.db2.gz VTCMBYFUSOQRMQ-INIZCTEOSA-N 0 0 426.944 4.611 50 0 IJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)nn1Cc1ccccc1F ZINC000020616374 525242076 /nfs/dbraw/zinc/24/20/76/525242076.db2.gz NAPPCIVXAUQEKO-UHFFFAOYSA-N 0 0 437.422 4.598 50 0 IJAARN Cc1ccccc1NC(=O)CSc1ncnc2nc(N3CCc4ccccc4C3)sc21 ZINC000035533807 525243631 /nfs/dbraw/zinc/24/36/31/525243631.db2.gz UOUMMRKIAYRMCP-UHFFFAOYSA-N 0 0 447.589 4.688 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 ZINC000017280392 525245284 /nfs/dbraw/zinc/24/52/84/525245284.db2.gz WBOGOPZOOPTAMA-UHFFFAOYSA-N 0 0 425.583 4.729 50 0 IJAARN COc1ccc([C@@H]2CCCN2CCS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000015518880 525251296 /nfs/dbraw/zinc/25/12/96/525251296.db2.gz VDHWYTIXULXMMQ-SFHVURJKSA-N 0 0 444.380 4.621 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000012468572 525266281 /nfs/dbraw/zinc/26/62/81/525266281.db2.gz IBTVECZJKBMLHS-MOPGFXCFSA-N 0 0 431.521 4.747 50 0 IJAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCc2ccco2)cc1OC ZINC000021892675 525281386 /nfs/dbraw/zinc/28/13/86/525281386.db2.gz MYEGRSNUOQVQQO-RUZDIDTESA-N 0 0 443.503 4.902 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc(C)n2)cc1 ZINC000021795330 525322842 /nfs/dbraw/zinc/32/28/42/525322842.db2.gz HBSGLJFFHASWMC-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2cccc(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561100 525345988 /nfs/dbraw/zinc/34/59/88/525345988.db2.gz UVMZFSBTQGNKTR-NRFANRHFSA-N 0 0 434.467 4.569 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)CC2)c(F)c1 ZINC000010057429 534851116 /nfs/dbraw/zinc/85/11/16/534851116.db2.gz ZLZULVABSNSHLI-UHFFFAOYSA-N 0 0 425.891 4.501 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)C1 ZINC000012595972 525377236 /nfs/dbraw/zinc/37/72/36/525377236.db2.gz BVBISGGNKNNRDQ-IYBDPMFKSA-N 0 0 441.984 4.636 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)c(OC)c1 ZINC000023313357 525408172 /nfs/dbraw/zinc/40/81/72/525408172.db2.gz GGJRJGBPNCHFKX-LJQANCHMSA-N 0 0 442.462 4.933 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805804 525431595 /nfs/dbraw/zinc/43/15/95/525431595.db2.gz NHVCMZVZKRHZAP-SANMLTNESA-N 0 0 440.547 4.854 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1OC ZINC000012495563 525432524 /nfs/dbraw/zinc/43/25/24/525432524.db2.gz YYVUZJGYXZNHJB-RXFWQSSRSA-N 0 0 444.487 4.717 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccnc3)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012516937 525434643 /nfs/dbraw/zinc/43/46/43/525434643.db2.gz ZIPNPWIIEWELGJ-OFVILXPXSA-N 0 0 445.519 4.530 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cccnc2)c(F)c1 ZINC000012208847 525439257 /nfs/dbraw/zinc/43/92/57/525439257.db2.gz VYKVXGZMUWMGDQ-SANMLTNESA-N 0 0 429.495 4.818 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000023439489 525442592 /nfs/dbraw/zinc/44/25/92/525442592.db2.gz BFQSDYPDUBOROJ-QYBDOPJKSA-N 0 0 447.531 4.654 50 0 IJAARN Cc1ccc(OCc2nc(CCN(C)C(=O)c3ccccc3C(F)(F)F)no2)cc1C ZINC000032961039 525448352 /nfs/dbraw/zinc/44/83/52/525448352.db2.gz QCXPJPXRUDXGEA-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)O2 ZINC000012243817 525472625 /nfs/dbraw/zinc/47/26/25/525472625.db2.gz MYTSXUPFSHCYDR-FQEVSTJZSA-N 0 0 426.438 4.738 50 0 IJAARN COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)c3ccc(C)c(C)c3)cc2c1 ZINC000016045374 525477769 /nfs/dbraw/zinc/47/77/69/525477769.db2.gz AGAYQXIZILZDTI-UHFFFAOYSA-N 0 0 442.515 4.766 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000012824136 525495080 /nfs/dbraw/zinc/49/50/80/525495080.db2.gz XTONIELNNFMZNX-UHFFFAOYSA-N 0 0 443.594 4.745 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(C1CCCCCC1)C3=O ZINC000021527527 525644557 /nfs/dbraw/zinc/64/45/57/525644557.db2.gz JVJDFYBAXGRZQJ-AREMUKBSSA-N 0 0 437.584 4.646 50 0 IJAARN Cc1ccc(SCC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 ZINC000021100584 525648243 /nfs/dbraw/zinc/64/82/43/525648243.db2.gz AHAJDHJJOAPSRS-UHFFFAOYSA-N 0 0 445.544 4.621 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2N2CCOCC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012606727 525661198 /nfs/dbraw/zinc/66/11/98/525661198.db2.gz OLQAYDIVUZIMAL-UHFFFAOYSA-N 0 0 434.521 4.657 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)[C@@H](C)Oc4cccc(C)c4)cc3)cc(=O)n2o1 ZINC000035429546 525675843 /nfs/dbraw/zinc/67/58/43/525675843.db2.gz TVKZJSOTSMFZCG-QGZVFWFLSA-N 0 0 449.532 4.603 50 0 IJAARN C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1cccc(Cl)c1 ZINC000012894146 525680073 /nfs/dbraw/zinc/68/00/73/525680073.db2.gz JJGFLSVWYACXRE-AWEZNQCLSA-N 0 0 428.989 4.839 50 0 IJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(Br)c1 ZINC000017094266 525688443 /nfs/dbraw/zinc/68/84/43/525688443.db2.gz ANKGCZXJEIITRZ-UHFFFAOYSA-N 0 0 425.261 4.883 50 0 IJAARN Cc1c(CCNC(=O)c2c(F)cccc2F)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000023997132 525702348 /nfs/dbraw/zinc/70/23/48/525702348.db2.gz HUJKAKZNGCSPCH-UHFFFAOYSA-N 0 0 432.883 4.670 50 0 IJAARN COc1cccc(-c2cc(C3=NN(C(C)=O)[C@H](c4ccc(Cl)cc4Cl)O3)n[nH]2)c1 ZINC000021151742 525705637 /nfs/dbraw/zinc/70/56/37/525705637.db2.gz LKHJMVOEKSZJQS-FQEVSTJZSA-N 0 0 431.279 4.631 50 0 IJAARN COc1cccc(-c2nc(CN3CCC([C@H](O)c4cccs4)CC3)c(C)o2)c1OC ZINC000020454338 525722759 /nfs/dbraw/zinc/72/27/59/525722759.db2.gz QYXCDOBBHFCCQK-NRFANRHFSA-N 0 0 428.554 4.674 50 0 IJAARN COc1cccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)c1OC ZINC000021657969 525725585 /nfs/dbraw/zinc/72/55/85/525725585.db2.gz FNONKJMRTRUHPJ-UHFFFAOYSA-N 0 0 447.520 4.859 50 0 IJAARN C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1ccc(Cl)cc1 ZINC000012781074 525726974 /nfs/dbraw/zinc/72/69/74/525726974.db2.gz GQZMTLFQNCOAAN-CQSZACIVSA-N 0 0 428.989 4.839 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4C)nc3n2)cc1 ZINC000021660540 525731068 /nfs/dbraw/zinc/73/10/68/525731068.db2.gz LBVFFMWUAHBCGD-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN Cc1c(CSC(C)C)cccc1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000078947036 525732429 /nfs/dbraw/zinc/73/24/29/525732429.db2.gz VQSFGODGEPAPGQ-UHFFFAOYSA-N 0 0 441.416 4.829 50 0 IJAARN COc1cccc(-c2nnc(NC(=O)CCN(C(=O)C3CCC3)C3CCCCC3)s2)c1 ZINC000035700756 525732413 /nfs/dbraw/zinc/73/24/13/525732413.db2.gz PPYPWIOUJXRHBU-UHFFFAOYSA-N 0 0 442.585 4.504 50 0 IJAARN COc1cccc(-c2nnc(SCCC(=O)Nc3nccs3)n2-c2ccccc2)c1 ZINC000012851361 525733630 /nfs/dbraw/zinc/73/36/30/525733630.db2.gz CEESYQBZHCENDE-UHFFFAOYSA-N 0 0 437.550 4.520 50 0 IJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cc(-c3ccco3)on2)c1 ZINC000018249233 525744222 /nfs/dbraw/zinc/74/42/22/525744222.db2.gz CAEKTGHAWADQHP-UHFFFAOYSA-N 0 0 431.473 4.935 50 0 IJAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)N2CCCC2)o1 ZINC000021659814 525761991 /nfs/dbraw/zinc/76/19/91/525761991.db2.gz SBHCXIULMJRJDZ-GOSISDBHSA-N 0 0 444.329 4.572 50 0 IJAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012589131 525768730 /nfs/dbraw/zinc/76/87/30/525768730.db2.gz VZTBSIRTPIBVRW-UHFFFAOYSA-N 0 0 436.559 4.728 50 0 IJAARN Cc1ccc([C@@H](NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c2cccs2)cc1 ZINC000012821762 525768793 /nfs/dbraw/zinc/76/87/93/525768793.db2.gz WFUWDICBNIDTDH-XMMPIXPASA-N 0 0 448.569 4.624 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104024 525770579 /nfs/dbraw/zinc/77/05/79/525770579.db2.gz LQQCSKNNUQGTAI-UHFFFAOYSA-N 0 0 437.906 4.943 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(F)c1 ZINC000021859584 525803838 /nfs/dbraw/zinc/80/38/38/525803838.db2.gz XCWNSXYFLOBICU-MHZLTWQESA-N 0 0 441.506 4.512 50 0 IJAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)ncn3CCC(=O)N2CCCCCC2)no1 ZINC000035460520 525812035 /nfs/dbraw/zinc/81/20/35/525812035.db2.gz FIXPRZPBYYVHFH-UHFFFAOYSA-N 0 0 435.553 4.916 50 0 IJAARN Cc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 ZINC000012707201 525817991 /nfs/dbraw/zinc/81/79/91/525817991.db2.gz GTTWTWXTZWRZLG-QGZVFWFLSA-N 0 0 426.567 4.517 50 0 IJAARN Cc1ccsc1C(=O)N(Cc1ccc(OCCc2ccccn2)cc1)C[C@@H]1CCCO1 ZINC000012166763 525819412 /nfs/dbraw/zinc/81/94/12/525819412.db2.gz UEJCBERZFKGMMM-QHCPKHFHSA-N 0 0 436.577 4.894 50 0 IJAARN Cc1c(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017198131 525823332 /nfs/dbraw/zinc/82/33/32/525823332.db2.gz OFUNBJVVEDQBIX-HXUWFJFHSA-N 0 0 434.348 4.570 50 0 IJAARN Cc1ccsc1CCNS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000020990096 525834524 /nfs/dbraw/zinc/83/45/24/525834524.db2.gz AVVDSFYUSXVZBJ-UHFFFAOYSA-N 0 0 430.595 4.522 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)N[C@@H]4CCCc5ccccc54)C3)n2)cc1 ZINC000035483024 525835004 /nfs/dbraw/zinc/83/50/04/525835004.db2.gz IXYMJZQNQIQWEW-LADGPHEKSA-N 0 0 426.564 4.862 50 0 IJAARN Cc1ccc(-c2nnc(Sc3c(O)cc(N4CCOCC4)c4ccccc43)n2C)cc1 ZINC000012462083 525857980 /nfs/dbraw/zinc/85/79/80/525857980.db2.gz YFOBFNITNSPAPC-UHFFFAOYSA-N 0 0 432.549 4.637 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)c1 ZINC000035180854 525857978 /nfs/dbraw/zinc/85/79/78/525857978.db2.gz FPIXPYOONFOZJM-SFHVURJKSA-N 0 0 447.510 4.964 50 0 IJAARN C[C@H](O)c1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccc(F)cc4)C3=O)c2)c1 ZINC000035181074 525858976 /nfs/dbraw/zinc/85/89/76/525858976.db2.gz VFLIVNPVIGJGPR-SFHVURJKSA-N 0 0 447.510 4.964 50 0 IJAARN Cc1c(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000012775786 525863684 /nfs/dbraw/zinc/86/36/84/525863684.db2.gz QRSMLDVOPFVPTA-UHFFFAOYSA-N 0 0 444.560 4.900 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)C2CC2)cc1F ZINC000036052162 525905684 /nfs/dbraw/zinc/90/56/84/525905684.db2.gz PRSICXCAXNXPRZ-UHFFFAOYSA-N 0 0 446.526 4.574 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2=O)cc1 ZINC000033128324 525930047 /nfs/dbraw/zinc/93/00/47/525930047.db2.gz COQQPRGWVTURKT-CQSZACIVSA-N 0 0 449.454 4.559 50 0 IJAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000012558957 525940144 /nfs/dbraw/zinc/94/01/44/525940144.db2.gz UBJANIHOTZAITJ-SFHVURJKSA-N 0 0 442.288 4.896 50 0 IJAARN CSc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1 ZINC000021657904 525948433 /nfs/dbraw/zinc/94/84/33/525948433.db2.gz QRSXEEYFOAXTFK-UHFFFAOYSA-N 0 0 447.545 4.982 50 0 IJAARN Cc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1C ZINC000012792161 525967852 /nfs/dbraw/zinc/96/78/52/525967852.db2.gz SEWYOTYWKNPJPT-AREMUKBSSA-N 0 0 427.548 4.513 50 0 IJAARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N1CCc2ccccc21 ZINC000012925626 525995159 /nfs/dbraw/zinc/99/51/59/525995159.db2.gz SFHBQMUIXIIDLB-INIZCTEOSA-N 0 0 425.550 4.529 50 0 IJAARN CSc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141736 526002797 /nfs/dbraw/zinc/00/27/97/526002797.db2.gz UAGFCMRCIXRRGF-UHFFFAOYSA-N 0 0 446.619 4.534 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1cccc(F)c1 ZINC000012647961 526004959 /nfs/dbraw/zinc/00/49/59/526004959.db2.gz MYJSCJHPZLRBBQ-OXJNMPFZSA-N 0 0 425.529 4.988 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1OC ZINC000035505016 526006920 /nfs/dbraw/zinc/00/69/20/526006920.db2.gz HJJSAMZTFSHQDP-UHFFFAOYSA-N 0 0 435.911 4.685 50 0 IJAARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000009544502 526009911 /nfs/dbraw/zinc/00/99/11/526009911.db2.gz WVWHAJZOILYYAH-OAHLLOKOSA-N 0 0 434.487 4.544 50 0 IJAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2ccccc2F)c1=O ZINC000012415058 526041361 /nfs/dbraw/zinc/04/13/61/526041361.db2.gz ZXNAPGYTLONXSK-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN COc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3CCc2ccccc2)c1 ZINC000035529419 526069863 /nfs/dbraw/zinc/06/98/63/526069863.db2.gz SBIHKVXTZBMVKM-UHFFFAOYSA-N 0 0 448.573 4.649 50 0 IJAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037385628 526082141 /nfs/dbraw/zinc/08/21/41/526082141.db2.gz ILUAXFREKHGKEH-MRXNPFEDSA-N 0 0 447.922 4.887 50 0 IJAARN Cc1ccc(C(=O)N2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)C3CC3)CC2)s1 ZINC000012509160 526087745 /nfs/dbraw/zinc/08/77/45/526087745.db2.gz OWQFFTRZNCCLFT-NRFANRHFSA-N 0 0 446.563 4.667 50 0 IJAARN Cc1ccc2c(c1)-c1c(c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nn1C)CS2 ZINC000021049231 526133483 /nfs/dbraw/zinc/13/34/83/526133483.db2.gz LBJFMHQWEKTBJQ-UHFFFAOYSA-N 0 0 438.984 4.617 50 0 IJAARN CSc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000021687684 526149976 /nfs/dbraw/zinc/14/99/76/526149976.db2.gz ZUKBNHURDQAGPX-UHFFFAOYSA-N 0 0 427.570 4.629 50 0 IJAARN COc1cccc(N2CCN(C(=O)c3cn4cc(-c5ccc(Cl)cc5)ccc4n3)CC2)c1 ZINC000034831081 526153042 /nfs/dbraw/zinc/15/30/42/526153042.db2.gz IEUOTEYBDDJUMF-UHFFFAOYSA-N 0 0 446.938 4.626 50 0 IJAARN COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c4ccccc4[nH]c3-c3ccccc3)CC2)c1 ZINC000020725382 526155610 /nfs/dbraw/zinc/15/56/10/526155610.db2.gz LVBQNTVNFGZYCQ-AREMUKBSSA-N 0 0 441.531 4.791 50 0 IJAARN C[C@H](c1ccon1)N(C)C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000012161367 526160626 /nfs/dbraw/zinc/16/06/26/526160626.db2.gz DNWUEZKRELCKPL-NIYFSFCBSA-N 0 0 431.536 4.533 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccccc2-c2nc3ccccc3s2)c1 ZINC000013007356 526172705 /nfs/dbraw/zinc/17/27/05/526172705.db2.gz PRLPCWZUZHBBLB-UHFFFAOYSA-N 0 0 431.517 4.683 50 0 IJAARN COc1cccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)c1 ZINC000024589288 526173299 /nfs/dbraw/zinc/17/32/99/526173299.db2.gz RNYKYSZNNYSWHB-UHFFFAOYSA-N 0 0 439.515 4.930 50 0 IJAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCN(Cc2ccsc2)CC1 ZINC000022800068 526178808 /nfs/dbraw/zinc/17/88/08/526178808.db2.gz CJSZBELPZYNCQE-INIZCTEOSA-N 0 0 436.606 4.592 50 0 IJAARN COc1cccc(NC(=O)N(CCCN2CCOCC2)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000020729610 526186845 /nfs/dbraw/zinc/18/68/45/526186845.db2.gz BLONSSWFVGOJME-IBGZPJMESA-N 0 0 437.540 4.759 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2ccc(F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012638194 526210666 /nfs/dbraw/zinc/21/06/66/526210666.db2.gz SUBDXYNWHVYPSZ-ZRFOIIEFSA-N 0 0 449.478 4.523 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1cc(Cl)ccc1C ZINC000035535087 526215711 /nfs/dbraw/zinc/21/57/11/526215711.db2.gz DQFRQTDIBIKPFU-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN CSc1nnc(CN(C)Cc2ccc(-c3cccc(Cl)c3)o2)n1C[C@H]1CCCO1 ZINC000012325573 526228033 /nfs/dbraw/zinc/22/80/33/526228033.db2.gz MFPYWVXXKGBYHS-QGZVFWFLSA-N 0 0 432.977 4.724 50 0 IJAARN C[C@H](CC(=O)NCCCNC(=O)c1csc(COc2ccccc2F)n1)CC(C)(C)C ZINC000034905908 526238044 /nfs/dbraw/zinc/23/80/44/526238044.db2.gz KMSHOGGYRSYWJS-MRXNPFEDSA-N 0 0 449.592 4.560 50 0 IJAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000012539685 526242763 /nfs/dbraw/zinc/24/27/63/526242763.db2.gz RUJLDKJSLTXSFM-SFHVURJKSA-N 0 0 438.572 4.820 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3)cc(=O)n2c1 ZINC000021156914 526250169 /nfs/dbraw/zinc/25/01/69/526250169.db2.gz IAZMCLITBCXXQO-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)n2)c1 ZINC000012696719 526256549 /nfs/dbraw/zinc/25/65/49/526256549.db2.gz AIFNCUVZHIDSNQ-UHFFFAOYSA-N 0 0 441.862 4.900 50 0 IJAARN O[C@H](COc1ccccc1)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000012543989 526290969 /nfs/dbraw/zinc/29/09/69/526290969.db2.gz LIQFRVVQZWSOPS-LJQANCHMSA-N 0 0 438.940 4.515 50 0 IJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N(C)Cc4ccccc4)c3)n2)o1 ZINC000023455126 526315317 /nfs/dbraw/zinc/31/53/17/526315317.db2.gz FRBFEUXNSXEBFB-UHFFFAOYSA-N 0 0 429.524 4.701 50 0 IJAARN Fc1ccc(-n2cc(CNCc3cn4cccnc4n3)c(-c3ccccc3Cl)n2)cc1 ZINC000012306401 526320697 /nfs/dbraw/zinc/32/06/97/526320697.db2.gz GQICEYFEFFJOCL-UHFFFAOYSA-N 0 0 432.890 4.664 50 0 IJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)c(F)c1 ZINC000021639488 526356109 /nfs/dbraw/zinc/35/61/09/526356109.db2.gz LNEXBLUOQMXCFV-UHFFFAOYSA-N 0 0 431.284 4.819 50 0 IJAARN O=C(CCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)NCc1ccccc1 ZINC000016612089 526384739 /nfs/dbraw/zinc/38/47/39/526384739.db2.gz OQYKKDNQBMTBOO-UHFFFAOYSA-N 0 0 442.494 4.714 50 0 IJAARN O=C(CCC(=O)c1cccs1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000009631144 526390694 /nfs/dbraw/zinc/39/06/94/526390694.db2.gz GUJPDJMXKMOQKR-UHFFFAOYSA-N 0 0 448.953 4.804 50 0 IJAARN O=C(CCC1CCCC1)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000022654341 526402062 /nfs/dbraw/zinc/40/20/62/526402062.db2.gz PAQZYMDDXCQQRL-UHFFFAOYSA-N 0 0 432.490 4.781 50 0 IJAARN Cc1noc(C)c1C(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000014952434 526467099 /nfs/dbraw/zinc/46/70/99/526467099.db2.gz LSZQPWCOIUQMIG-UHFFFAOYSA-N 0 0 442.519 4.931 50 0 IJAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Br)o1 ZINC000022907896 526493516 /nfs/dbraw/zinc/49/35/16/526493516.db2.gz OEYUHZQHWNPSJJ-INIZCTEOSA-N 0 0 431.355 4.633 50 0 IJAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012796787 526498785 /nfs/dbraw/zinc/49/87/85/526498785.db2.gz HPNBKDFFZMKGSO-ZSHFYGRISA-N 0 0 440.543 4.545 50 0 IJAARN Cc1nc(-c2ccc(-c3noc([C@H](C)NS(=O)(=O)c4ccc(C)cc4)n3)cc2)cs1 ZINC000035557758 526563271 /nfs/dbraw/zinc/56/32/71/526563271.db2.gz WAQFCWVXXHVTGH-AWEZNQCLSA-N 0 0 440.550 4.516 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)CCc2ccncc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012434712 526568188 /nfs/dbraw/zinc/56/81/88/526568188.db2.gz BMWHZRNWBAUUIY-GOSISDBHSA-N 0 0 433.474 4.691 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)C(=O)c2ccccc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012459432 526568576 /nfs/dbraw/zinc/56/85/76/526568576.db2.gz QMOCNCFVKHKZRC-MRXNPFEDSA-N 0 0 432.442 4.546 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)s2)cs1 ZINC000012775682 526570228 /nfs/dbraw/zinc/57/02/28/526570228.db2.gz HAHWGRHVVZKTEL-UHFFFAOYSA-N 0 0 439.610 4.636 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cs1 ZINC000040131997 526579750 /nfs/dbraw/zinc/57/97/50/526579750.db2.gz XBVSSJRSUCMKCX-UHFFFAOYSA-N 0 0 426.563 4.504 50 0 IJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Br ZINC000022907020 526580669 /nfs/dbraw/zinc/58/06/69/526580669.db2.gz JVRBGGATBLJGSZ-HXUWFJFHSA-N 0 0 425.326 4.572 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000012801456 526595346 /nfs/dbraw/zinc/59/53/46/526595346.db2.gz DZJRAXCRCJPRBO-UHFFFAOYSA-N 0 0 441.380 4.739 50 0 IJAARN Cc1noc([C@@H]2CCCN(C(=O)c3ccccc3Oc3cccc(Br)c3)C2)n1 ZINC000095369420 526651974 /nfs/dbraw/zinc/65/19/74/526651974.db2.gz CCXLREYSWTXOMM-OAHLLOKOSA-N 0 0 442.313 4.953 50 0 IJAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CCC(Cc2ccccc2)CC1 ZINC000021882524 526655590 /nfs/dbraw/zinc/65/55/90/526655590.db2.gz ULTYUFGPOGFDAT-UHFFFAOYSA-N 0 0 449.620 4.667 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000021522809 526661918 /nfs/dbraw/zinc/66/19/18/526661918.db2.gz ROBOYGDTUQQVRF-UHFFFAOYSA-N 0 0 438.940 4.809 50 0 IJAARN O=C(NCc1ccc(F)cc1F)c1ccc(-c2cc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1 ZINC000023456578 526678287 /nfs/dbraw/zinc/67/82/87/526678287.db2.gz VLEOTTXLOOAKPA-UHFFFAOYSA-N 0 0 447.441 4.723 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545496 526711686 /nfs/dbraw/zinc/71/16/86/526711686.db2.gz OHFWMHSRWDPRLZ-FPOVZHCZSA-N 0 0 430.470 4.712 50 0 IJAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000012847897 526714153 /nfs/dbraw/zinc/71/41/53/526714153.db2.gz ZWODNPHQKVUBFN-NDEPHWFRSA-N 0 0 436.511 4.614 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCc1ccccc1Cl ZINC000020241547 526731635 /nfs/dbraw/zinc/73/16/35/526731635.db2.gz LJHJTBLFIDSTFJ-MUUNZHRXSA-N 0 0 437.348 4.522 50 0 IJAARN Cc1oc(-c2cccs2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462150 526749161 /nfs/dbraw/zinc/74/91/61/526749161.db2.gz QJBBYQCPYXBWEO-UHFFFAOYSA-N 0 0 435.534 4.734 50 0 biogenic,in-vitro IJAARN O=C(c1cccc(Cl)c1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1 ZINC000012247170 526757667 /nfs/dbraw/zinc/75/76/67/526757667.db2.gz BITYSULPGDZPMP-FQEVSTJZSA-N 0 0 436.939 4.993 50 0 IJAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000022799178 526767333 /nfs/dbraw/zinc/76/73/33/526767333.db2.gz QNZHRSYXQQVZRL-KPKJPENVSA-N 0 0 441.575 4.535 50 0 IJAARN O=C(NCc1cccs1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158952 526781366 /nfs/dbraw/zinc/78/13/66/526781366.db2.gz GEIDMIZWPUWCFZ-UHFFFAOYSA-N 0 0 448.567 4.818 50 0 IJAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020533178 526796809 /nfs/dbraw/zinc/79/68/09/526796809.db2.gz ZMNBCJXBGZZQOX-TUGCOKMYSA-N 0 0 444.531 4.645 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(N[C@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012627772 526890896 /nfs/dbraw/zinc/89/08/96/526890896.db2.gz SLKVVSQNBVJKSO-NRFANRHFSA-N 0 0 432.597 4.839 50 0 IJAARN Cc1nc(CSc2ccc(C(=O)OCC(=O)N(C)Cc3ccsc3)cc2)cs1 ZINC000022613902 526915600 /nfs/dbraw/zinc/91/56/00/526915600.db2.gz DNJGDNLEXFRBFP-UHFFFAOYSA-N 0 0 432.592 4.621 50 0 IJAARN O=C(COC(=O)c1ccoc1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012879365 526917977 /nfs/dbraw/zinc/91/79/77/526917977.db2.gz RNPHXYYYJVJKFQ-UHFFFAOYSA-N 0 0 436.464 4.932 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766000 526953134 /nfs/dbraw/zinc/95/31/34/526953134.db2.gz NZJYXQZZYDIYMA-QFIPXVFZSA-N 0 0 426.969 4.696 50 0 IJAARN O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022907729 526953222 /nfs/dbraw/zinc/95/32/22/526953222.db2.gz CCYWPDDAZZUVPY-NRFANRHFSA-N 0 0 426.969 4.696 50 0 IJAARN Cc1nc(N2CCC(C(=O)NCC3(c4ccccc4)CCCC3)CC2)nc2ccccc12 ZINC000012334035 526963058 /nfs/dbraw/zinc/96/30/58/526963058.db2.gz BEMHTNNMJGPVQB-UHFFFAOYSA-N 0 0 428.580 4.783 50 0 IJAARN O=C(COc1ccc2ccccc2c1)NC[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907079 526971875 /nfs/dbraw/zinc/97/18/75/526971875.db2.gz PCXJKQAYTQOWHJ-RUZDIDTESA-N 0 0 426.516 4.727 50 0 IJAARN Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000012223827 527008918 /nfs/dbraw/zinc/00/89/18/527008918.db2.gz SDMBZHOAIMWURV-UHFFFAOYSA-N 0 0 442.441 4.559 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000033262621 527027029 /nfs/dbraw/zinc/02/70/29/527027029.db2.gz FIDIRXYCJSOKMF-UHFFFAOYSA-N 0 0 443.500 4.671 50 0 IJAARN O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[nH]c(SCc3cccc(Cl)c3)nc2N1 ZINC000021784932 527031500 /nfs/dbraw/zinc/03/15/00/527031500.db2.gz GLKQRAFSFQLGNN-CQSZACIVSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012582386 527066536 /nfs/dbraw/zinc/06/65/36/527066536.db2.gz ZFNJRXZXTMGQHX-GFCCVEGCSA-N 0 0 443.985 4.719 50 0 IJAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1 ZINC000035503824 527071322 /nfs/dbraw/zinc/07/13/22/527071322.db2.gz KUZNYHUMIBFCJM-UHFFFAOYSA-N 0 0 442.544 4.533 50 0 IJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)N(Cc1ccco1)CC(F)(F)F ZINC000023262602 527074927 /nfs/dbraw/zinc/07/49/27/527074927.db2.gz KDSBVVXODJSTTO-UHFFFAOYSA-N 0 0 445.513 4.939 50 0 IJAARN O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1c[nH]c2ccccc21 ZINC000013121248 527084404 /nfs/dbraw/zinc/08/44/04/527084404.db2.gz LETUGYZVGIQKRB-UHFFFAOYSA-N 0 0 437.956 4.977 50 0 IJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccc(F)cc1F ZINC000021726876 527088876 /nfs/dbraw/zinc/08/88/76/527088876.db2.gz KJEMCPHTXXSEES-UHFFFAOYSA-N 0 0 447.470 4.954 50 0 IJAARN O=C(CSc1nncn1CCc1cccs1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000022133648 527090917 /nfs/dbraw/zinc/09/09/17/527090917.db2.gz VHMBJNAYUFTOAP-JOCHJYFZSA-N 0 0 448.617 4.775 50 0 IJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1coc2ccc(Cl)cc2c1=O ZINC000020615693 527092979 /nfs/dbraw/zinc/09/29/79/527092979.db2.gz DPXUINDMHCIBQD-CHHVJCJISA-N 0 0 430.641 4.553 50 0 biogenic IJAARN O=C1S/C(=C\c2ccc(I)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000020458015 527103283 /nfs/dbraw/zinc/10/32/83/527103283.db2.gz SVFUDESQLFRTMT-XFFZJAGNSA-N 0 0 431.638 4.779 50 0 IJAARN Cn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000021357121 527115437 /nfs/dbraw/zinc/11/54/37/527115437.db2.gz AMOXEWBDDOBPBE-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)ccc2n1-c1ccccc1 ZINC000012629581 527128313 /nfs/dbraw/zinc/12/83/13/527128313.db2.gz HPWXKPGDJSMGDL-NRFANRHFSA-N 0 0 430.533 4.639 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCCC[C@@H]4c4ccccn4)no3)ccc2s1 ZINC000012431129 527131073 /nfs/dbraw/zinc/13/10/73/527131073.db2.gz LNYJPTTVXGLWBF-OAQYLSRUSA-N 0 0 434.521 4.934 50 0 IJAARN O=C(Nc1ccc(Br)cc1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000022490878 527155818 /nfs/dbraw/zinc/15/58/18/527155818.db2.gz WRPGOKSMRXHTON-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000012342263 527158204 /nfs/dbraw/zinc/15/82/04/527158204.db2.gz VAZQXURJXFFMEX-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1 ZINC000021885216 527180034 /nfs/dbraw/zinc/18/00/34/527180034.db2.gz AYXAICINWVLBCH-INIZCTEOSA-N 0 0 436.899 4.649 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000035166823 527181596 /nfs/dbraw/zinc/18/15/96/527181596.db2.gz SEXMYNDDXWHZSY-MRXNPFEDSA-N 0 0 433.895 4.584 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 ZINC000035512019 527181802 /nfs/dbraw/zinc/18/18/02/527181802.db2.gz STKPNWCZEZXALF-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1 ZINC000035553191 527221237 /nfs/dbraw/zinc/22/12/37/527221237.db2.gz NPSNCXYIMUYKGN-UHFFFAOYSA-N 0 0 436.943 4.549 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018927 527239780 /nfs/dbraw/zinc/23/97/80/527239780.db2.gz ZMJSVEOPNBVQOF-FQEVSTJZSA-N 0 0 426.394 4.795 50 0 IJAARN O=S(=O)(Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000012770854 527245169 /nfs/dbraw/zinc/24/51/69/527245169.db2.gz HHPUSBMWDLEGMV-UHFFFAOYSA-N 0 0 442.972 4.614 50 0 IJAARN O=S(=O)(c1ccc(NC[C@H](c2c[nH]c3ccccc23)c2ccccc2)nc1)N1CCCC1 ZINC000023408597 527278291 /nfs/dbraw/zinc/27/82/91/527278291.db2.gz WOJOQEIVFSLEEY-QFIPXVFZSA-N 0 0 446.576 4.591 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1c(F)cccc1F ZINC000035886191 527278880 /nfs/dbraw/zinc/27/88/80/527278880.db2.gz VUSIWOLAQDRZCS-UHFFFAOYSA-N 0 0 442.849 4.792 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399225 527281579 /nfs/dbraw/zinc/28/15/79/527281579.db2.gz JHUZYXXHDKXEFJ-UHFFFAOYSA-N 0 0 429.545 4.736 50 0 biogenic IJAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)/c(=N/c3ccccc3)oc12 ZINC000002954576 527281900 /nfs/dbraw/zinc/28/19/00/527281900.db2.gz XVSXOGLVSXAUQE-NFFVHWSESA-N 0 0 437.858 4.906 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000035511867 527287185 /nfs/dbraw/zinc/28/71/85/527287185.db2.gz LQQCTQUMORZFFV-UHFFFAOYSA-N 0 0 430.508 4.912 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000014792360 527290626 /nfs/dbraw/zinc/29/06/26/527290626.db2.gz FRGSMBKOYXBFCD-UHFFFAOYSA-N 0 0 430.794 4.852 50 0 IJAARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cc(-c2ccco2)nc2ccccc21 ZINC000020865155 527300079 /nfs/dbraw/zinc/30/00/79/527300079.db2.gz SNGCVNUMXHUIIK-UHFFFAOYSA-N 0 0 436.471 4.793 50 0 IJAARN O=C(Nc1cccc(-c2noc(C3CCC3)n2)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000021883528 527318811 /nfs/dbraw/zinc/31/88/11/527318811.db2.gz WDAQPVMXQSYTLA-MRXNPFEDSA-N 0 0 436.899 4.649 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000015827903 527343470 /nfs/dbraw/zinc/34/34/70/527343470.db2.gz SDEYHRDJRYCPDU-UHFFFAOYSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860100 527343658 /nfs/dbraw/zinc/34/36/58/527343658.db2.gz VYESEGQZGNDVLC-UHFFFAOYSA-N 0 0 428.879 4.603 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)s1 ZINC000035483388 527353114 /nfs/dbraw/zinc/35/31/14/527353114.db2.gz OGFMFMOBCVTXFS-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012679791 527366652 /nfs/dbraw/zinc/36/66/52/527366652.db2.gz JOJCDYQRASWFAR-UHFFFAOYSA-N 0 0 449.788 4.561 50 0 IJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860317 527378288 /nfs/dbraw/zinc/37/82/88/527378288.db2.gz GRVLFMRMLIXEPN-UHFFFAOYSA-N 0 0 448.526 4.829 50 0 IJAARN Cn1ccnc1Sc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000012628573 527450472 /nfs/dbraw/zinc/45/04/72/527450472.db2.gz AXNYQZAZJUNXLG-UHFFFAOYSA-N 0 0 444.545 4.890 50 0 IJAARN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000021769366 527509746 /nfs/dbraw/zinc/50/97/46/527509746.db2.gz BXDFORAAWMWKOX-UHFFFAOYSA-N 0 0 436.383 4.564 50 0 IJAARN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000012520195 527512973 /nfs/dbraw/zinc/51/29/73/527512973.db2.gz GUPOYESAHVQHLT-UHFFFAOYSA-N 0 0 429.354 4.677 50 0 IJAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)c2c1C(=O)CCC2 ZINC000020864801 527521640 /nfs/dbraw/zinc/52/16/40/527521640.db2.gz UAORNWSYWIVPMG-UHFFFAOYSA-N 0 0 442.288 4.854 50 0 IJAARN O=C(Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1)c1cccc(Cl)c1 ZINC000021654805 527536092 /nfs/dbraw/zinc/53/60/92/527536092.db2.gz YJUNBGZGSRNZBI-UHFFFAOYSA-N 0 0 429.914 4.786 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)Nc1ccc(Cl)cc1)CCS2 ZINC000015776097 527553743 /nfs/dbraw/zinc/55/37/43/527553743.db2.gz LOXOUYPKGXKXBZ-UHFFFAOYSA-N 0 0 440.956 4.692 50 0 IJAARN O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012921477 527599827 /nfs/dbraw/zinc/59/98/27/527599827.db2.gz UNIMFUVHKZDURF-FNORWQNLSA-N 0 0 447.318 4.613 50 0 IJAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@H](OCc4ccccc4)C3)n2)c1 ZINC000012297535 527685856 /nfs/dbraw/zinc/68/58/56/527685856.db2.gz DMTNHJJYJGBAMJ-FQEVSTJZSA-N 0 0 431.458 4.860 50 0 IJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000009251249 534953115 /nfs/dbraw/zinc/95/31/15/534953115.db2.gz XYLFAYHPEQDONA-UHFFFAOYSA-N 0 0 435.524 4.533 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009461683 535133154 /nfs/dbraw/zinc/13/31/54/535133154.db2.gz BXARGCSFIJPEJA-UHFFFAOYSA-N 0 0 441.535 4.768 50 0 IJAARN CC(C)[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000013129356 535321938 /nfs/dbraw/zinc/32/19/38/535321938.db2.gz XWFVDVBHKVYYJM-IBGZPJMESA-N 0 0 425.882 4.842 50 0 IJAARN CCOc1ccccc1[C@@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)Nc1cc(C)on1 ZINC000010352989 535545442 /nfs/dbraw/zinc/54/54/42/535545442.db2.gz RCHDZQWYKHAYIX-QFIPXVFZSA-N 0 0 448.548 4.730 50 0 IJAARN COc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c(OC)c1 ZINC000013063620 536655642 /nfs/dbraw/zinc/65/56/42/536655642.db2.gz RYAWUTDYUWNSLZ-XSFVSMFZSA-N 0 0 434.879 4.997 50 0 IJAARN COc1ccc2ccccc2c1[S@](=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008855456 537044121 /nfs/dbraw/zinc/04/41/21/537044121.db2.gz JMDRPOIRYWIGDC-SSEXGKCCSA-N 0 0 434.483 4.712 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)CC1 ZINC000008588662 537067135 /nfs/dbraw/zinc/06/71/35/537067135.db2.gz XTDFNUZYJGXOCA-UHFFFAOYSA-N 0 0 444.579 4.556 50 0 IJAARN COc1cccc(CN2c3ccccc3S(=O)(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000009908812 537107507 /nfs/dbraw/zinc/10/75/07/537107507.db2.gz FCIFQRAZCNIIED-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccco1 ZINC000000629349 555514094 /nfs/dbraw/zinc/51/40/94/555514094.db2.gz NVDBBAVEOUHCIR-UHFFFAOYSA-N 0 0 432.885 4.984 50 0 IJAARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1C(=O)CCC1=O ZINC000000639578 555517879 /nfs/dbraw/zinc/51/78/79/555517879.db2.gz BQEKCHZGVRHLCY-QFIPXVFZSA-N 0 0 438.527 4.794 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC)ccc2ccccc21 ZINC000000641194 555518401 /nfs/dbraw/zinc/51/84/01/555518401.db2.gz RNLLDTQWLQTKQM-HSZRJFAPSA-N 0 0 447.560 4.679 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000000646573 555521037 /nfs/dbraw/zinc/52/10/37/555521037.db2.gz XWEKZVWROWMZDN-UHFFFAOYSA-N 0 0 439.484 4.641 50 0 IJAARN COC(=O)c1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000000652980 555523802 /nfs/dbraw/zinc/52/38/02/555523802.db2.gz DQKJAMIWMYTUNN-SNVBAGLBSA-N 0 0 425.453 4.522 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc(C(=O)OC)c1 ZINC000000656125 555525059 /nfs/dbraw/zinc/52/50/59/555525059.db2.gz JIFIXFYFCJCYDI-UHFFFAOYSA-N 0 0 444.443 4.629 50 0 IJAARN COc1ccc(NC2=C[C@H](c3ccc(OC)c(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000662769 555527427 /nfs/dbraw/zinc/52/74/27/555527427.db2.gz WJZOKOUQLAGZTP-HSZRJFAPSA-N 0 0 446.503 4.805 50 0 IJAARN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)N(C)C1=S ZINC000000664831 555527997 /nfs/dbraw/zinc/52/79/97/555527997.db2.gz WDYUJXPWUKZFAL-STZFKDTASA-N 0 0 439.968 4.793 50 0 IJAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1cccs1 ZINC000000666178 555528588 /nfs/dbraw/zinc/52/85/88/555528588.db2.gz FUEJOGOKJPOXPQ-UHFFFAOYSA-N 0 0 438.530 4.820 50 0 IJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4OC)ccc3o2)cc1 ZINC000000669820 555530134 /nfs/dbraw/zinc/53/01/34/555530134.db2.gz MCPODZPOZFBESF-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(OC)ccc1Br)Nc1ccccc1-2 ZINC000000669376 555530256 /nfs/dbraw/zinc/53/02/56/555530256.db2.gz BAOAHCITDLEMJP-KRWDZBQOSA-N 0 0 445.342 4.925 50 0 IJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000000673481 555532228 /nfs/dbraw/zinc/53/22/28/555532228.db2.gz STTBOJHRVXHRGX-UHFFFAOYSA-N 0 0 425.506 4.709 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000000673116 555532245 /nfs/dbraw/zinc/53/22/45/555532245.db2.gz WWLFPTWBEMGULN-ZDUSSCGKSA-N 0 0 431.554 4.955 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000673930 555532425 /nfs/dbraw/zinc/53/24/25/555532425.db2.gz DIVORLIQHJSYBP-ZYHUDNBSSA-N 0 0 430.839 4.781 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000673933 555532432 /nfs/dbraw/zinc/53/24/32/555532432.db2.gz DIVORLIQHJSYBP-PWSUYJOCSA-N 0 0 430.839 4.781 50 0 IJAARN Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)c1 ZINC000000673985 555532854 /nfs/dbraw/zinc/53/28/54/555532854.db2.gz UEJMYYPUMYVQFN-KDOFPFPSSA-N 0 0 434.393 4.949 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000675213 555533982 /nfs/dbraw/zinc/53/39/82/555533982.db2.gz QZVJHWBQYJGILF-UHFFFAOYSA-N 0 0 442.540 4.772 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@H](CC)C2 ZINC000000679959 555537101 /nfs/dbraw/zinc/53/71/01/555537101.db2.gz HEJSXWZMFUWDJH-ZDUSSCGKSA-N 0 0 425.506 4.798 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccc(C)cc3C)c2)c(C)c1 ZINC000000683045 555538565 /nfs/dbraw/zinc/53/85/65/555538565.db2.gz VTPHYQIWUGNIGX-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN COC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(I)c1 ZINC000000685881 555539803 /nfs/dbraw/zinc/53/98/03/555539803.db2.gz GQIKOLVSHTVMAF-UHFFFAOYSA-N 0 0 429.279 4.515 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc(NC(=O)c2ccncc2)c1C(=O)OC(C)C ZINC000000685832 555539885 /nfs/dbraw/zinc/53/98/85/555539885.db2.gz DIIXVTZTPVTPIZ-UHFFFAOYSA-N 0 0 437.521 4.830 50 0 IJAARN CCCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000009283312 555544355 /nfs/dbraw/zinc/54/43/55/555544355.db2.gz WBTZMYHTJMEIRF-UHFFFAOYSA-N 0 0 438.553 4.687 50 0 IJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O)c1ccccc1 ZINC000000704961 555544388 /nfs/dbraw/zinc/54/43/88/555544388.db2.gz BPURZBUSEULTGL-UHFFFAOYSA-N 0 0 435.435 4.680 50 0 IJAARN COc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000000724632 555551106 /nfs/dbraw/zinc/55/11/06/555551106.db2.gz AYSJUCZQQLALDP-UHFFFAOYSA-N 0 0 435.530 4.804 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000726850 555551701 /nfs/dbraw/zinc/55/17/01/555551701.db2.gz KDIFQEDAGALVJZ-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3ccccc3Cl)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729394 555552542 /nfs/dbraw/zinc/55/25/42/555552542.db2.gz CDZFHDZREXPTBF-DHIUTWEWSA-N 0 0 439.895 4.901 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1OC ZINC000000799068 555558700 /nfs/dbraw/zinc/55/87/00/555558700.db2.gz FVIRWRVPBZAPPA-UHFFFAOYSA-N 0 0 442.397 4.685 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 ZINC000000827008 555565149 /nfs/dbraw/zinc/56/51/49/555565149.db2.gz UUUYZKWGTGUZJX-UHFFFAOYSA-N 0 0 430.411 4.932 50 0 IJAARN Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000000850615 555570460 /nfs/dbraw/zinc/57/04/60/555570460.db2.gz CXELILKPLLBBOV-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2C1=O ZINC000000857566 555571684 /nfs/dbraw/zinc/57/16/84/555571684.db2.gz PFWJAQSTFYMPKS-UHFFFAOYSA-N 0 0 438.487 4.877 50 0 IJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3N2)c1 ZINC000000884091 555578294 /nfs/dbraw/zinc/57/82/94/555578294.db2.gz WCQKBTHHADHALD-RTBURBONSA-N 0 0 448.420 4.621 50 0 IJAARN O=C(Nc1cccnc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000979109 555592841 /nfs/dbraw/zinc/59/28/41/555592841.db2.gz DKQRPUJXUPZNBP-UHFFFAOYSA-N 0 0 443.528 4.729 50 0 IJAARN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000999551 555599916 /nfs/dbraw/zinc/59/99/16/555599916.db2.gz IGRYFWZVAXSJIS-UONOGXRCSA-N 0 0 428.458 4.774 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN(C)C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001017533 555602823 /nfs/dbraw/zinc/60/28/23/555602823.db2.gz RICWSWDTYPSAFS-HNNXBMFYSA-N 0 0 443.613 4.660 50 0 IJAARN CCOc1ccc([C@H]2C(C(=O)OC)=C(Nc3ccc(C)cc3)C=C(C)[C@@H]2C(=O)OC)cc1 ZINC000001019506 555603326 /nfs/dbraw/zinc/60/33/26/555603326.db2.gz WGCMAJCJJWEHFZ-XZOQPEGZSA-N 0 0 435.520 4.766 50 0 IJAARN COc1ccc(Br)c(OC)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001031255 555605970 /nfs/dbraw/zinc/60/59/70/555605970.db2.gz AXNQLVSNDSHDPD-UHFFFAOYSA-N 0 0 448.100 4.735 50 0 IJAARN COc1ccc(Br)c(OC)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001031257 555605975 /nfs/dbraw/zinc/60/59/75/555605975.db2.gz ZIIYJYQCOLUEGO-UHFFFAOYSA-N 0 0 448.100 4.735 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccs1 ZINC000001044714 555610856 /nfs/dbraw/zinc/61/08/56/555610856.db2.gz ZHSGAWKOVBYIOD-UHFFFAOYSA-N 0 0 426.441 4.820 50 0 IJAARN CCN(CC)C(=S)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F ZINC000001048803 555612130 /nfs/dbraw/zinc/61/21/30/555612130.db2.gz AQVRBYVBFYEFOB-UHFFFAOYSA-N 0 0 443.313 4.985 50 0 IJAARN CCn1c(Cc2c(C)[nH]c3ccccc32)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000001049034 555612404 /nfs/dbraw/zinc/61/24/04/555612404.db2.gz JQYDAPPRGJKHGY-UHFFFAOYSA-N 0 0 447.564 4.612 50 0 IJAARN CCc1c(C)scc1C(=O)Nc1sccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000001055044 555614204 /nfs/dbraw/zinc/61/42/04/555614204.db2.gz XTTOTQHFIAVWPJ-UHFFFAOYSA-N 0 0 428.535 4.591 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCC(C)C)cc1 ZINC000001059473 555615848 /nfs/dbraw/zinc/61/58/48/555615848.db2.gz FXWCPRPXSTULBV-UHFFFAOYSA-N 0 0 436.577 4.776 50 0 IJAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000001060945 555616099 /nfs/dbraw/zinc/61/60/99/555616099.db2.gz NMBWRHFMZVUQLX-UHFFFAOYSA-N 0 0 435.549 4.734 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000001065031 555617840 /nfs/dbraw/zinc/61/78/40/555617840.db2.gz SGINIAFGBDGBGC-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN COc1cc(NC(=S)NC(=O)/C=C/c2ccco2)ccc1-c1cc2ccccc2oc1=O ZINC000001105619 555629595 /nfs/dbraw/zinc/62/95/95/555629595.db2.gz MVDIOKUKBCLDHE-PKNBQFBNSA-N 0 0 446.484 4.588 50 0 IJAARN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000001113223 555633001 /nfs/dbraw/zinc/63/30/01/555633001.db2.gz VVVYGJYQIFWCHY-PDGQHHTCSA-N 0 0 433.913 4.868 50 0 IJAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000001120560 555637565 /nfs/dbraw/zinc/63/75/65/555637565.db2.gz IGJRFUQQQVPRIS-HNNXBMFYSA-N 0 0 446.981 4.797 50 0 IJAARN CSc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 ZINC000001121540 555638185 /nfs/dbraw/zinc/63/81/85/555638185.db2.gz ZLXSOTQFAMGDND-UHFFFAOYSA-N 0 0 440.590 4.935 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N(C)Cc1cn(CC)nc1C ZINC000001121523 555638261 /nfs/dbraw/zinc/63/82/61/555638261.db2.gz YRMFHNFUVASPSR-UHFFFAOYSA-N 0 0 442.610 4.945 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1 ZINC000001122184 555638498 /nfs/dbraw/zinc/63/84/98/555638498.db2.gz XMEJOIQBQILLOU-UHFFFAOYSA-N 0 0 430.961 4.902 50 0 IJAARN COc1cccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)O2)c1 ZINC000001122714 555638891 /nfs/dbraw/zinc/63/88/91/555638891.db2.gz UYPRYZJRIJFFMB-CIAFOILYSA-N 0 0 433.435 4.766 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000001123932 555639324 /nfs/dbraw/zinc/63/93/24/555639324.db2.gz IRQSFUSXNVUVHL-UHFFFAOYSA-N 0 0 440.253 4.777 50 0 IJAARN O=C(Nc1ccccc1N1CCCC1)c1cc(I)ccc1Cl ZINC000001132807 555645401 /nfs/dbraw/zinc/64/54/01/555645401.db2.gz XPULSAXQYFRREH-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN CC[C@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(C)=O ZINC000001142263 555650637 /nfs/dbraw/zinc/65/06/37/555650637.db2.gz GXPZHEYBUXDVJB-VLCRHTCISA-N 0 0 427.294 4.628 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 ZINC000001143973 555652054 /nfs/dbraw/zinc/65/20/54/555652054.db2.gz URXMGNSVSDDDQP-UHFFFAOYSA-N 0 0 444.944 4.526 50 0 IJAARN CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000001148771 555655273 /nfs/dbraw/zinc/65/52/73/555655273.db2.gz QEFWEXFHNINUIJ-UHFFFAOYSA-N 0 0 448.894 4.887 50 0 IJAARN O=C(OCc1ccc(Br)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000001153619 555657403 /nfs/dbraw/zinc/65/74/03/555657403.db2.gz DERBLBQCFBLEIU-UHFFFAOYSA-N 0 0 436.261 4.607 50 0 IJAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 ZINC000001156188 555658623 /nfs/dbraw/zinc/65/86/23/555658623.db2.gz TXDDNMCOBJVLIU-UHFFFAOYSA-N 0 0 427.942 4.571 50 0 IJAARN COc1cc(Br)cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc21 ZINC000001158870 555660899 /nfs/dbraw/zinc/66/08/99/555660899.db2.gz IGCULZQONBAMRE-UHFFFAOYSA-N 0 0 442.187 4.835 50 0 IJAARN CSc1cccc(NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001161212 555661694 /nfs/dbraw/zinc/66/16/94/555661694.db2.gz BBKMBOVOWNYZQM-UHFFFAOYSA-N 0 0 440.590 4.547 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000001160915 555661722 /nfs/dbraw/zinc/66/17/22/555661722.db2.gz XDWJLEIIEFPHRV-VWLOTQADSA-N 0 0 435.907 4.746 50 0 IJAARN O=S(=O)(Cc1ccccc1)c1cccc2c1cccc2S(=O)(=O)Cc1ccccc1 ZINC000001163467 555663013 /nfs/dbraw/zinc/66/30/13/555663013.db2.gz JKEYDFAMYWVRKL-UHFFFAOYSA-N 0 0 436.554 4.788 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc(OCC)c1OCC ZINC000001167251 555664774 /nfs/dbraw/zinc/66/47/74/555664774.db2.gz VCEDQFWSZSAWBQ-UHFFFAOYSA-N 0 0 446.507 4.869 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000001173408 555668479 /nfs/dbraw/zinc/66/84/79/555668479.db2.gz QSEWUQDPDBQDPL-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000001173704 555668487 /nfs/dbraw/zinc/66/84/87/555668487.db2.gz WGTKNYMSKBUWAU-UHFFFAOYSA-N 0 0 443.547 4.689 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000001175679 555669446 /nfs/dbraw/zinc/66/94/46/555669446.db2.gz FVQLIZKNRFAHDV-UHFFFAOYSA-N 0 0 441.487 4.977 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001176398 555669792 /nfs/dbraw/zinc/66/97/92/555669792.db2.gz JDYPUBJQDHHKLO-HXUWFJFHSA-N 0 0 439.298 4.839 50 0 IJAARN CCOc1cc(OCC)c(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1Br ZINC000001181707 555672216 /nfs/dbraw/zinc/67/22/16/555672216.db2.gz HJMMSBVBRMSKDO-PXNMLYILSA-N 0 0 428.348 4.939 50 0 IJAARN O=C(NC1CCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001181849 555672225 /nfs/dbraw/zinc/67/22/25/555672225.db2.gz ORASKQCNKVPZQY-UHFFFAOYSA-N 0 0 434.561 4.755 50 0 IJAARN O=c1c2cnn(-c3ccccc3)c2nc(-c2ccco2)n1-c1ccc(Br)cc1 ZINC000001182410 555672504 /nfs/dbraw/zinc/67/25/04/555672504.db2.gz SGEPCAGQFISWJV-UHFFFAOYSA-N 0 0 433.265 4.594 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000001187164 555674956 /nfs/dbraw/zinc/67/49/56/555674956.db2.gz RJTZDCWLXLRAEN-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000001192090 555676166 /nfs/dbraw/zinc/67/61/66/555676166.db2.gz KLASFXIYWGYPHP-DEOSSOPVSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)NC1CCCCC1 ZINC000001196966 555677384 /nfs/dbraw/zinc/67/73/84/555677384.db2.gz VTJHEUKKOUWIHS-UHFFFAOYSA-N 0 0 436.371 4.600 50 0 IJAARN CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OCc1ccc(Cl)cc1Cl ZINC000001205363 555680275 /nfs/dbraw/zinc/68/02/75/555680275.db2.gz AXTRLJWZZOXXGH-UHFFFAOYSA-N 0 0 439.291 4.701 50 0 IJAARN O=C(CS[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O)Nc1ccc2ccccc2c1 ZINC000001209097 555681629 /nfs/dbraw/zinc/68/16/29/555681629.db2.gz UAXNGCRTDXBWSD-QHCPKHFHSA-N 0 0 440.524 4.997 50 0 IJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccco1 ZINC000001213375 555683047 /nfs/dbraw/zinc/68/30/47/555683047.db2.gz BKIHDOJIRRHFLX-UHFFFAOYSA-N 0 0 434.304 4.966 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000001217186 555684508 /nfs/dbraw/zinc/68/45/08/555684508.db2.gz YDIPILJZWNOAFA-UHFFFAOYSA-N 0 0 438.768 4.731 50 0 IJAARN COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001220834 555685943 /nfs/dbraw/zinc/68/59/43/555685943.db2.gz CCWNWQDEICILHG-UHFFFAOYSA-N 0 0 446.528 4.682 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccnc2)cc1 ZINC000001321903 555690005 /nfs/dbraw/zinc/69/00/05/555690005.db2.gz JFHXDVDMFYGQIQ-UHFFFAOYSA-N 0 0 445.548 4.767 50 0 IJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C ZINC000001448854 555699590 /nfs/dbraw/zinc/69/95/90/555699590.db2.gz GWRKDIQQZWKEPJ-NRFANRHFSA-N 0 0 427.545 4.686 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000001474763 555701554 /nfs/dbraw/zinc/70/15/54/555701554.db2.gz DJRODPVVTCCDEP-UHFFFAOYSA-N 0 0 445.544 4.688 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000001896142 555723253 /nfs/dbraw/zinc/72/32/53/555723253.db2.gz DHBNWFRRAXVUSM-UHFFFAOYSA-N 0 0 435.596 4.894 50 0 IJAARN Cc1cccc(-c2noc(CN3CCC4(C[C@@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889687 555726611 /nfs/dbraw/zinc/72/66/11/555726611.db2.gz VJYUHELNCGWPTB-HXUWFJFHSA-N 0 0 427.508 4.865 50 0 IJAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H](O)C(Cl)(Cl)Cl ZINC000002060254 555731718 /nfs/dbraw/zinc/73/17/18/555731718.db2.gz HOMOUEHROCIHAJ-JQWIXIFHSA-N 0 0 442.092 4.600 50 0 IJAARN CCCOc1ccccc1[C@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC ZINC000002104427 555742963 /nfs/dbraw/zinc/74/29/63/555742963.db2.gz RIKIEYLVIGBXOE-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 ZINC000002181958 555754001 /nfs/dbraw/zinc/75/40/01/555754001.db2.gz GCQXAEONRVIQBD-UHFFFAOYSA-N 0 0 442.606 4.821 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(N(C)C)cc4)c3n2)cc1 ZINC000002214210 555758668 /nfs/dbraw/zinc/75/86/68/555758668.db2.gz XJJRUFGEVYQNAM-UHFFFAOYSA-N 0 0 437.450 4.661 50 0 IJAARN O=c1c2c(n3c(S)nnc3n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000002277542 555764658 /nfs/dbraw/zinc/76/46/58/555764658.db2.gz WURWMUJJLZFYFP-UHFFFAOYSA-N 0 0 428.561 4.653 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000071891891 555764751 /nfs/dbraw/zinc/76/47/51/555764751.db2.gz SWVNANQYUFEPAA-IBGZPJMESA-N 0 0 425.460 4.991 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)N2C(=O)CCSC2=N1 ZINC000002278096 555765021 /nfs/dbraw/zinc/76/50/21/555765021.db2.gz QLPQXEOCWYHJFP-HXUWFJFHSA-N 0 0 426.925 4.734 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002285978 555765579 /nfs/dbraw/zinc/76/55/79/555765579.db2.gz TZYREOVNZSVVRX-JOCHJYFZSA-N 0 0 449.503 4.672 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002285977 555765597 /nfs/dbraw/zinc/76/55/97/555765597.db2.gz TZYREOVNZSVVRX-QFIPXVFZSA-N 0 0 449.503 4.672 50 0 IJAARN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000002335994 555769910 /nfs/dbraw/zinc/76/99/10/555769910.db2.gz VLQUUZDIALQFML-UHFFFAOYSA-N 0 0 443.891 4.505 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC)cc1 ZINC000002365243 555772384 /nfs/dbraw/zinc/77/23/84/555772384.db2.gz DSJAXPVUXPVHJD-UHFFFAOYSA-N 0 0 427.549 4.681 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccco3)c(=O)c2c1C ZINC000002369550 555773010 /nfs/dbraw/zinc/77/30/10/555773010.db2.gz XXCFNDPTUQEQNF-UHFFFAOYSA-N 0 0 443.525 4.586 50 0 IJAARN CCCCCOc1ccccc1/C=c1/sc2nc(-c3oc4ccccc4c3C)nn2c1=O ZINC000002371486 555773162 /nfs/dbraw/zinc/77/31/62/555773162.db2.gz LFSOQWBXVJFSER-RCCKNPSSSA-N 0 0 445.544 4.989 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1 ZINC000002377266 555774000 /nfs/dbraw/zinc/77/40/00/555774000.db2.gz NTWSTYBGXHEPFM-GOSISDBHSA-N 0 0 437.908 4.919 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002419117 555777372 /nfs/dbraw/zinc/77/73/72/555777372.db2.gz IFPLFPOLJMGCGD-FQEVSTJZSA-N 0 0 429.875 4.946 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002449318 555781146 /nfs/dbraw/zinc/78/11/46/555781146.db2.gz LYYYJQGGHWXOPG-UHFFFAOYSA-N 0 0 426.448 4.595 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 ZINC000002450579 555781519 /nfs/dbraw/zinc/78/15/19/555781519.db2.gz IVCLHFQSMCWWQN-UHFFFAOYSA-N 0 0 448.548 4.943 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002451965 555781773 /nfs/dbraw/zinc/78/17/73/555781773.db2.gz QJDWNWDICZDZGW-UHFFFAOYSA-N 0 0 444.438 4.735 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccco2)cc1 ZINC000002453756 555782339 /nfs/dbraw/zinc/78/23/39/555782339.db2.gz SJVDWCCECKIXEW-UHFFFAOYSA-N 0 0 440.912 4.920 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000002542259 555786768 /nfs/dbraw/zinc/78/67/68/555786768.db2.gz NUBVZFVZMMLZCC-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc(CNc2nc3c(ncn3C(C)C)c(NCc3ccc(OC)cc3)n2)cc1 ZINC000002583630 555788988 /nfs/dbraw/zinc/78/89/88/555788988.db2.gz IDCOTQWQVPRTNK-UHFFFAOYSA-N 0 0 432.528 4.649 50 0 in-vivo IJAARN COCCCNC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000002672414 555797545 /nfs/dbraw/zinc/79/75/45/555797545.db2.gz ZEEQOOICHNMNQN-VAWYXSNFSA-N 0 0 432.973 4.699 50 0 IJAARN Cc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc21 ZINC000002692319 555799427 /nfs/dbraw/zinc/79/94/27/555799427.db2.gz KYBYWVZKYPGFQH-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccccc32)cc1 ZINC000002693114 555799842 /nfs/dbraw/zinc/79/98/42/555799842.db2.gz TWGTXFWTOKIBQC-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CC(C)(C)C(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002707000 555800812 /nfs/dbraw/zinc/80/08/12/555800812.db2.gz CAGWVVRAPGNADQ-CQSZACIVSA-N 0 0 432.804 4.985 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000002722859 555802466 /nfs/dbraw/zinc/80/24/66/555802466.db2.gz CESRLYWPSGJZGR-UHFFFAOYSA-N 0 0 439.540 4.861 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000002734730 555805719 /nfs/dbraw/zinc/80/57/19/555805719.db2.gz BJEMYTSKKNGCPS-UHFFFAOYSA-N 0 0 438.977 4.523 50 0 IJAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000002742361 555807642 /nfs/dbraw/zinc/80/76/42/555807642.db2.gz DPOAXDFPWPJHPS-NSHDSACASA-N 0 0 443.491 4.601 50 0 IJAARN COc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1COc1ccc(F)cc1 ZINC000002747872 555809567 /nfs/dbraw/zinc/80/95/67/555809567.db2.gz LKRQWGIYRPHQOW-STZFKDTASA-N 0 0 434.492 4.676 50 0 IJAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccncc3)cc2)c1 ZINC000034680113 555813424 /nfs/dbraw/zinc/81/34/24/555813424.db2.gz XBVZEQGHNUGDPY-UHFFFAOYSA-N 0 0 441.575 4.972 50 0 IJAARN CCOc1ccccc1NC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000002770380 555815210 /nfs/dbraw/zinc/81/52/10/555815210.db2.gz UCJCYGVXMFAUQM-UHFFFAOYSA-N 0 0 438.434 4.994 50 0 IJAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C\c2ccc(F)cc2)c1C(=O)OC(C)C ZINC000034701268 555821390 /nfs/dbraw/zinc/82/13/90/555821390.db2.gz QFASAZCFUKOSCM-FLIBITNWSA-N 0 0 433.501 4.978 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cccc(O)c3)n2)cc1 ZINC000002799752 555823737 /nfs/dbraw/zinc/82/37/37/555823737.db2.gz POULXSMETUMBDC-UHFFFAOYSA-N 0 0 449.454 4.998 50 0 IJAARN COc1ccc(C(=O)N2C[C@H](C(=O)N(C)Cc3ccccc3)C[C@H](c3ccccc3)C2)cc1 ZINC000034709578 555823764 /nfs/dbraw/zinc/82/37/64/555823764.db2.gz RWYBFTBFBVJJOE-LOSJGSFVSA-N 0 0 442.559 4.600 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711945 555825165 /nfs/dbraw/zinc/82/51/65/555825165.db2.gz APTGYPCNBCWBLT-QGZVFWFLSA-N 0 0 430.476 4.576 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000002813060 555827872 /nfs/dbraw/zinc/82/78/72/555827872.db2.gz KFBDIWIMADFXEA-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN O=C(Nc1cccc(C(=O)Nc2ccc(I)cc2)c1)c1ccccc1 ZINC000002830709 555832034 /nfs/dbraw/zinc/83/20/34/555832034.db2.gz PKWKFZPMSYSLAQ-UHFFFAOYSA-N 0 0 442.256 4.796 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000002836658 555833225 /nfs/dbraw/zinc/83/32/25/555833225.db2.gz CPOKSEIDPCAKDX-UHFFFAOYSA-N 0 0 434.315 4.547 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1-c1ccc(Cl)cc1 ZINC000002837130 555833762 /nfs/dbraw/zinc/83/37/62/555833762.db2.gz FERYGUGKKWLFQX-UHFFFAOYSA-N 0 0 426.851 4.979 50 0 IJAARN COc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Br ZINC000002850301 555838977 /nfs/dbraw/zinc/83/89/77/555838977.db2.gz GBYWMPQRZYZION-UHFFFAOYSA-N 0 0 440.293 4.972 50 0 IJAARN COCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002853341 555840430 /nfs/dbraw/zinc/84/04/30/555840430.db2.gz KDNFZVNFQAKJAI-QHCPKHFHSA-N 0 0 445.446 4.916 50 0 IJAARN O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc2c(c1)OCO2 ZINC000002856897 555841991 /nfs/dbraw/zinc/84/19/91/555841991.db2.gz QOTMJEYXWYTONP-UHFFFAOYSA-N 0 0 438.237 4.633 50 0 IJAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000002869391 555848993 /nfs/dbraw/zinc/84/89/93/555848993.db2.gz JCNCROJLINETOE-LJQANCHMSA-N 0 0 438.549 4.889 50 0 IJAARN CCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002876713 555852491 /nfs/dbraw/zinc/85/24/91/555852491.db2.gz DZUJEHGQTQAFLG-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(CSCc3ccccc3F)n2C)cc1 ZINC000002883760 555856937 /nfs/dbraw/zinc/85/69/37/555856937.db2.gz QBZZTVPUJFLLTL-UHFFFAOYSA-N 0 0 446.573 4.517 50 0 IJAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000002886187 555858056 /nfs/dbraw/zinc/85/80/56/555858056.db2.gz RWJHYKWMHZGLMI-UHFFFAOYSA-N 0 0 433.533 4.741 50 0 IJAARN COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br ZINC000002891176 555859974 /nfs/dbraw/zinc/85/99/74/555859974.db2.gz GTQKYZFYZDYSQD-UHFFFAOYSA-N 0 0 446.366 4.849 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000003012292 555879366 /nfs/dbraw/zinc/87/93/66/555879366.db2.gz NACIKNXBWVJMMQ-KXBFYZLASA-N 0 0 444.413 4.833 50 0 IJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003018779 555881195 /nfs/dbraw/zinc/88/11/95/555881195.db2.gz UYPPQVXIBQXKQU-ISQHLFTMSA-N 0 0 430.301 4.590 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(OC)cc3NC(=O)CC(C)(C)C)C2=O)cc1 ZINC000034739731 555882684 /nfs/dbraw/zinc/88/26/84/555882684.db2.gz PBZMKYMRRHKWPB-UHFFFAOYSA-N 0 0 439.556 4.911 50 0 IJAARN O=C(Cc1cccs1)N1C[C@@H](C(=O)NCc2cccc(F)c2)CC[C@H]1c1ccccc1 ZINC000034739960 555883013 /nfs/dbraw/zinc/88/30/13/555883013.db2.gz DBCXPHYMNJMKHQ-REWPJTCUSA-N 0 0 436.552 4.726 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1ccc(C)cc1)C(F)(F)F ZINC000003103357 555887067 /nfs/dbraw/zinc/88/70/67/555887067.db2.gz YTCCUXNLLFHUDP-GOSISDBHSA-N 0 0 449.256 4.965 50 0 IJAARN O=C(N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003123273 555889378 /nfs/dbraw/zinc/88/93/78/555889378.db2.gz VOEZWKGCZGEDOZ-CQSZACIVSA-N 0 0 437.179 4.753 50 0 IJAARN CC(C)CC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003124801 555889665 /nfs/dbraw/zinc/88/96/65/555889665.db2.gz URNIXAPWWFMOAK-MRXNPFEDSA-N 0 0 432.804 4.985 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3Cl)c(N)c2NC(=O)NCc2cccnc2)cc1 ZINC000034785932 555896624 /nfs/dbraw/zinc/89/66/24/555896624.db2.gz JCJMXQRLZVIJAU-UHFFFAOYSA-N 0 0 448.914 4.500 50 0 IJAARN Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(Cc2ccncc2)CC3)cc1 ZINC000034755685 555900767 /nfs/dbraw/zinc/90/07/67/555900767.db2.gz ZYWNDXNDSIFDCQ-UHFFFAOYSA-N 0 0 429.568 4.767 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1ccc(F)cc1)CC2 ZINC000034758190 555902949 /nfs/dbraw/zinc/90/29/49/555902949.db2.gz CWYBIMHSXZOJDV-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN CCCc1nc2onc(-c3ccc4ccccc4c3)c2c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000034810234 555908453 /nfs/dbraw/zinc/90/84/53/555908453.db2.gz GCTBFUCWUILMHI-UHFFFAOYSA-N 0 0 443.551 4.695 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)COc3ccccc3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813623 555910341 /nfs/dbraw/zinc/91/03/41/555910341.db2.gz NTVPZWWFHBHKOQ-HXUWFJFHSA-N 0 0 441.531 4.791 50 0 IJAARN CCCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)NCc3cccc(F)c3)cc21 ZINC000034836085 555914271 /nfs/dbraw/zinc/91/42/71/555914271.db2.gz DYAJYVLBAQGHCE-UHFFFAOYSA-N 0 0 444.506 4.913 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)c1 ZINC000003364219 555927313 /nfs/dbraw/zinc/92/73/13/555927313.db2.gz SNHDOXRNIOYVPQ-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN COc1cccc([C@H](CN2CCN(C(=O)CC(C)C)CC2)OCc2cccc(Cl)c2)c1 ZINC000034915448 555929983 /nfs/dbraw/zinc/92/99/83/555929983.db2.gz MPDQPHYKPHTFEO-DEOSSOPVSA-N 0 0 445.003 4.797 50 0 IJAARN CCOc1ccc(N2C[C@H](C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916878 555930587 /nfs/dbraw/zinc/93/05/87/555930587.db2.gz CIXBHFFPUHSFBU-RCZVLFRGSA-N 0 0 428.532 4.538 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2nc(C)c(Cc3cccc(Cl)c3)c(C)n2n1 ZINC000003638145 555942762 /nfs/dbraw/zinc/94/27/62/555942762.db2.gz LFPRDYQQIWBHNC-UHFFFAOYSA-N 0 0 446.020 4.726 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000004290574 555983394 /nfs/dbraw/zinc/98/33/94/555983394.db2.gz WPHMGDPCQXPZTN-UHFFFAOYSA-N 0 0 427.485 4.506 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000004671409 556006009 /nfs/dbraw/zinc/00/60/09/556006009.db2.gz GYTNKASOSQDWHR-XTXLOEGASA-N 0 0 426.022 4.852 50 0 IJAARN CCc1ccc2nc(N3CCC(C(=O)NCc4c(F)cc(F)cc4F)CC3)sc2c1 ZINC000004757390 556009703 /nfs/dbraw/zinc/00/97/03/556009703.db2.gz MRYVGBLSZURZTB-UHFFFAOYSA-N 0 0 433.499 4.809 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)cc1OC ZINC000006429589 556087310 /nfs/dbraw/zinc/08/73/10/556087310.db2.gz NDGXCWSQUWKQCM-UHFFFAOYSA-N 0 0 427.504 4.861 50 0 IJAARN CCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002682869 556118811 /nfs/dbraw/zinc/11/88/11/556118811.db2.gz AFONVDKZCHQNQF-LLVKDONJSA-N 0 0 437.607 4.892 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccc(OC)cc1 ZINC000002691898 556120330 /nfs/dbraw/zinc/12/03/30/556120330.db2.gz UFBOYLXANMWSEW-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000002692007 556120342 /nfs/dbraw/zinc/12/03/42/556120342.db2.gz AUJYKTBJTCUIDW-UHFFFAOYSA-N 0 0 441.911 4.984 50 0 aggregator IJAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000002703991 556122956 /nfs/dbraw/zinc/12/29/56/556122956.db2.gz MMXNXEVHSGNTQO-QFIPXVFZSA-N 0 0 447.874 4.906 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2c(Cl)cccc2Cl)c(C(=O)OCC)c1C ZINC000002742009 556132987 /nfs/dbraw/zinc/13/29/87/556132987.db2.gz OMAXOVHPHQHWQI-UHFFFAOYSA-N 0 0 430.309 4.969 50 0 IJAARN CC(C)(CNC(=O)/C=C/c1ccc(Cl)cc1)CNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000002748306 556136668 /nfs/dbraw/zinc/13/66/68/556136668.db2.gz VVEIXNOIRHCJCC-FNCQTZNRSA-N 0 0 431.363 4.979 50 0 IJAARN Cc1c(Br)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1C ZINC000002759800 556137809 /nfs/dbraw/zinc/13/78/09/556137809.db2.gz ACKQAXYWUQVXQW-UHFFFAOYSA-N 0 0 430.146 4.781 50 0 IJAARN Cc1cc(C(F)F)nn1Cc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002787040 556138802 /nfs/dbraw/zinc/13/88/02/556138802.db2.gz RHZFMBOOPYTTRG-GFCCVEGCSA-N 0 0 430.528 4.981 50 0 IJAARN Fc1ccc(CN2CCC(c3nc4c5c6c(sc5ncn4n3)CCC6)CC2)c(Cl)c1 ZINC000002787182 556138899 /nfs/dbraw/zinc/13/88/99/556138899.db2.gz OKWUIADFEROFLP-UHFFFAOYSA-N 0 0 441.963 5.000 50 0 IJAARN CC[C@@H]1CCc2c(sc3ncn4nc(CCn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002790073 556139327 /nfs/dbraw/zinc/13/93/27/556139327.db2.gz QVCJCRZNNQWFIF-GFCCVEGCSA-N 0 0 434.491 4.620 50 0 IJAARN Cc1c(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cnn1C ZINC000002768922 556139863 /nfs/dbraw/zinc/13/98/63/556139863.db2.gz IQKTYYVSZKBYIV-UHFFFAOYSA-N 0 0 435.325 4.636 50 0 IJAARN Cc1ccn(Cc2nnc(SCc3c(Cl)cccc3Cl)n2C[C@@H]2CCCO2)n1 ZINC000002780307 556141622 /nfs/dbraw/zinc/14/16/22/556141622.db2.gz LOUZGGNDFLIBSK-AWEZNQCLSA-N 0 0 438.384 4.609 50 0 IJAARN COc1ccccc1NC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 ZINC000002805566 556143654 /nfs/dbraw/zinc/14/36/54/556143654.db2.gz RQHKJAOOVCCGKI-UHFFFAOYSA-N 0 0 430.327 4.646 50 0 IJAARN O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002794674 556145233 /nfs/dbraw/zinc/14/52/33/556145233.db2.gz JQXGJPOGAKRESV-UHFFFAOYSA-N 0 0 442.647 4.866 50 0 IJAARN COc1cc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc(OC)c1OC ZINC000002930996 556150076 /nfs/dbraw/zinc/15/00/76/556150076.db2.gz LLSWLEIQUYTZME-UHFFFAOYSA-N 0 0 437.477 4.743 50 0 IJAARN COc1ccc(-n2c(=O)c3sc(=S)n(-c4ccccc4)c3[nH]c2=S)cc1OC ZINC000003018778 556157009 /nfs/dbraw/zinc/15/70/09/556157009.db2.gz HYAVTVYHEQLHQP-UHFFFAOYSA-N 0 0 429.548 4.647 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1F ZINC000003023395 556157279 /nfs/dbraw/zinc/15/72/79/556157279.db2.gz GWXWZLBRLMEMBQ-DJJJIMSYSA-N 0 0 438.952 4.897 50 0 IJAARN COc1ccc(-n2cnc3c(sc4nnc(C)c(/C=C/c5ccccc5)c43)c2=O)cc1 ZINC000008411843 556167110 /nfs/dbraw/zinc/16/71/10/556167110.db2.gz QXHUYCHJAIKZET-MDWZMJQESA-N 0 0 426.501 4.878 50 0 IJAARN Cc1ccc(OCCCOc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000008426262 556168852 /nfs/dbraw/zinc/16/88/52/556168852.db2.gz ISMAEGQYXLLTKX-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)OCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008431033 556170800 /nfs/dbraw/zinc/17/08/00/556170800.db2.gz ZVWUIIISJPMBFO-UHFFFAOYSA-N 0 0 428.366 4.703 50 0 IJAARN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000008439647 556175843 /nfs/dbraw/zinc/17/58/43/556175843.db2.gz FNOHOTFKHHKGGA-UHFFFAOYSA-N 0 0 426.501 4.864 50 0 aggregator IJAARN COc1cc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc(OC)c1OC ZINC000008452523 556183157 /nfs/dbraw/zinc/18/31/57/556183157.db2.gz MHBNDIKWPYPRHY-UHFFFAOYSA-N 0 0 446.931 4.681 50 0 IJAARN CC[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 ZINC000008454315 556185080 /nfs/dbraw/zinc/18/50/80/556185080.db2.gz VSGHKYNDRFWKGI-KHLCZAGTSA-N 0 0 433.228 4.994 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(C)cc4)c3C)no2)c1 ZINC000008592791 556189298 /nfs/dbraw/zinc/18/92/98/556189298.db2.gz DNVVTPSFAGCQKY-UHFFFAOYSA-N 0 0 446.507 4.781 50 0 IJAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000008594087 556189602 /nfs/dbraw/zinc/18/96/02/556189602.db2.gz AEVKUMMLBNIIMV-XMMPIXPASA-N 0 0 443.478 4.510 50 0 IJAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)cc1 ZINC000008594135 556189646 /nfs/dbraw/zinc/18/96/46/556189646.db2.gz IZKAWYYDKHKYPZ-IBGZPJMESA-N 0 0 433.504 4.870 50 0 IJAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)Nc2cccc(F)c2)cc1 ZINC000008594086 556189679 /nfs/dbraw/zinc/18/96/79/556189679.db2.gz SSXHWYJQGJGVHA-DEOSSOPVSA-N 0 0 443.478 4.510 50 0 IJAARN COc1ccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2cccc(F)c2)cc1 ZINC000008595155 556190207 /nfs/dbraw/zinc/19/02/07/556190207.db2.gz ZRVMKTPFPIKCBO-UHFFFAOYSA-N 0 0 426.451 4.695 50 0 IJAARN COc1cc2nc(NCCc3cccc(C)c3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000008604971 556191653 /nfs/dbraw/zinc/19/16/53/556191653.db2.gz HZYJNILQRWKLAG-UHFFFAOYSA-N 0 0 439.519 4.925 50 0 IJAARN CC(=O)Nc1cccc(OCCCNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000008618230 556193371 /nfs/dbraw/zinc/19/33/71/556193371.db2.gz GMNFRAOTCOWMCO-UHFFFAOYSA-N 0 0 445.878 4.600 50 0 IJAARN COc1cc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc(OC)c1OC ZINC000008667649 556198299 /nfs/dbraw/zinc/19/82/99/556198299.db2.gz URQWIJUEYPNXEG-UHFFFAOYSA-N 0 0 441.534 4.885 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1OCCOc1ccccc1 ZINC000008723191 556203722 /nfs/dbraw/zinc/20/37/22/556203722.db2.gz FDXNJYUBGCMERN-UHFFFAOYSA-N 0 0 430.504 4.633 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000008745314 556208722 /nfs/dbraw/zinc/20/87/22/556208722.db2.gz HOPIYHVGFBLPDE-UHFFFAOYSA-N 0 0 425.492 4.925 50 0 IJAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]1C2 ZINC000008770489 556213241 /nfs/dbraw/zinc/21/32/41/556213241.db2.gz JRRKPNAZHJRATO-NRFANRHFSA-N 0 0 446.528 4.555 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)s1 ZINC000008827394 556224621 /nfs/dbraw/zinc/22/46/21/556224621.db2.gz LXBCYUILVNKJMZ-QGZVFWFLSA-N 0 0 441.871 4.749 50 0 IJAARN COc1ccc(-c2nc3c4ccccc4nc(SCC(=O)c4ccccc4)n3n2)cc1 ZINC000008990819 556238694 /nfs/dbraw/zinc/23/86/94/556238694.db2.gz MSDMQPAXRFUAKR-UHFFFAOYSA-N 0 0 426.501 4.928 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197107 556255103 /nfs/dbraw/zinc/25/51/03/556255103.db2.gz PNTXWNUXXXUDNC-PMACEKPBSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1C ZINC000009199246 556257038 /nfs/dbraw/zinc/25/70/38/556257038.db2.gz LZARPYFMBZAAJW-CQSZACIVSA-N 0 0 426.929 4.581 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1ccc(Cl)cc1 ZINC000009225651 556259557 /nfs/dbraw/zinc/25/95/57/556259557.db2.gz JVQGJPFJDUGYKR-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000009234540 556263116 /nfs/dbraw/zinc/26/31/16/556263116.db2.gz HRKJYLAAXTYNGJ-LJQANCHMSA-N 0 0 427.504 4.547 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239298 556265740 /nfs/dbraw/zinc/26/57/40/556265740.db2.gz FURFTSOHTLCKDX-ZWKOTPCHSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239578 556266090 /nfs/dbraw/zinc/26/60/90/556266090.db2.gz DANFXJWKBGTTAZ-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(O)c2)cc1 ZINC000009289257 556273769 /nfs/dbraw/zinc/27/37/69/556273769.db2.gz QIPLPDPCAJVZAO-QHCPKHFHSA-N 0 0 426.476 4.678 50 0 IJAARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289575 556273797 /nfs/dbraw/zinc/27/37/97/556273797.db2.gz MIYPVLIJNWDHKV-QHCPKHFHSA-N 0 0 444.466 4.817 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294977 556274303 /nfs/dbraw/zinc/27/43/03/556274303.db2.gz OXUAGARAZZCIIP-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000009295095 556274544 /nfs/dbraw/zinc/27/45/44/556274544.db2.gz UUYXOBVSMSUVQO-VXKWHMMOSA-N 0 0 435.597 4.753 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009294985 556274614 /nfs/dbraw/zinc/27/46/14/556274614.db2.gz FIWYDTFIZBIORY-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)n2C)cc1 ZINC000009305099 556276590 /nfs/dbraw/zinc/27/65/90/556276590.db2.gz MGDKQXSPAGROEI-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 ZINC000009309417 556278553 /nfs/dbraw/zinc/27/85/53/556278553.db2.gz PVCVWZRKZJDEJH-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN C[C@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000009311194 556279248 /nfs/dbraw/zinc/27/92/48/556279248.db2.gz WVYOPITZNFHVDY-PNCHPQGNSA-N 0 0 439.515 4.650 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(F)cc4F)c(C)c13)CCC(C)(C)O2 ZINC000013692116 556281760 /nfs/dbraw/zinc/28/17/60/556281760.db2.gz KSJXYLJWTLPVFX-UHFFFAOYSA-N 0 0 443.446 4.673 50 0 IJAARN O=c1n2nc(-c3ccco3)nc2c2c3c(sc2n1Cc1ccccc1Cl)CCCC3 ZINC000013692845 556282579 /nfs/dbraw/zinc/28/25/79/556282579.db2.gz BRZOLAFUWDSIMX-UHFFFAOYSA-N 0 0 436.924 4.946 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(F)c(Cl)c2)S1 ZINC000009353072 556284411 /nfs/dbraw/zinc/28/44/11/556284411.db2.gz HTDSFEUDORTJRO-OAHLLOKOSA-N 0 0 442.299 4.580 50 0 IJAARN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2cccc(C(F)(F)F)c2)c3C)cc1 ZINC000009420423 556289127 /nfs/dbraw/zinc/28/91/27/556289127.db2.gz WETWEKFKYIOOJS-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 ZINC000009419866 556289227 /nfs/dbraw/zinc/28/92/27/556289227.db2.gz GMLWLMLVPALEGA-UHFFFAOYSA-N 0 0 425.491 4.978 50 0 IJAARN CC(C)(C)c1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 ZINC000009425791 556289880 /nfs/dbraw/zinc/28/98/80/556289880.db2.gz GZKMVIVAEWBQFI-QHCPKHFHSA-N 0 0 427.500 4.797 50 0 IJAARN CCOc1ccccc1N1C(=O)c2ccc(-c3nc4cc(Cl)ccc4c(=O)o3)cc2C1=O ZINC000009428088 556290950 /nfs/dbraw/zinc/29/09/50/556290950.db2.gz DRIRWMSRUVGJGK-UHFFFAOYSA-N 0 0 446.846 4.708 50 0 IJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(CSc2ccccc2)s1 ZINC000009489234 556294880 /nfs/dbraw/zinc/29/48/80/556294880.db2.gz ZCIJQNOQYYMEFO-UHFFFAOYSA-N 0 0 448.957 4.703 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000009581425 556300762 /nfs/dbraw/zinc/30/07/62/556300762.db2.gz JEOXVWTUIRCGEZ-QFIPXVFZSA-N 0 0 426.921 4.947 50 0 IJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3c(F)cc(F)cc3Br)noc1-2 ZINC000009597955 556302158 /nfs/dbraw/zinc/30/21/58/556302158.db2.gz XEQOQZNEICXYLX-UHFFFAOYSA-N 0 0 435.224 4.742 50 0 IJAARN CC1CCC(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)CC1 ZINC000032741837 556303622 /nfs/dbraw/zinc/30/36/22/556303622.db2.gz FHHXVOONSILORB-UHFFFAOYSA-N 0 0 449.580 4.855 50 0 IJAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032744598 556304561 /nfs/dbraw/zinc/30/45/61/556304561.db2.gz MWVKFDWMHIZZEC-UHFFFAOYSA-N 0 0 440.927 4.781 50 0 IJAARN COc1ccc([C@H](NC(=O)Cc2cc(OC)c(OC)cc2Br)C(C)C)cc1 ZINC000032744679 556304643 /nfs/dbraw/zinc/30/46/43/556304643.db2.gz TVGZLTJZRVSTDB-OAQYLSRUSA-N 0 0 436.346 4.531 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000009731269 556307996 /nfs/dbraw/zinc/30/79/96/556307996.db2.gz ZXLCPQOMZIDKGQ-YADARESESA-N 0 0 434.517 4.932 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1ccccc1 ZINC000009761210 556308305 /nfs/dbraw/zinc/30/83/05/556308305.db2.gz SUIQBGORIGUDAI-UHFFFAOYSA-N 0 0 433.558 4.667 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1SC(F)F)Cc1nnc(-c2cccs2)o1 ZINC000032738500 556308535 /nfs/dbraw/zinc/30/85/35/556308535.db2.gz XDLLCDXIKFABIO-UHFFFAOYSA-N 0 0 438.525 4.964 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(Nc2cccc(F)c2)c2ccccc23)c1 ZINC000009829922 556309955 /nfs/dbraw/zinc/30/99/55/556309955.db2.gz LUKFPNSVFMSOLD-UHFFFAOYSA-N 0 0 447.495 4.610 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013811082 556312295 /nfs/dbraw/zinc/31/22/95/556312295.db2.gz XQPYJQKPUOHFLY-QHAWAJNXSA-N 0 0 438.405 4.757 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl ZINC000009907117 556316293 /nfs/dbraw/zinc/31/62/93/556316293.db2.gz VMDBZMBEEMMNMJ-SFHVURJKSA-N 0 0 430.295 4.521 50 0 IJAARN COc1ccccc1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000013828255 556316317 /nfs/dbraw/zinc/31/63/17/556316317.db2.gz FFFANTMLBQMYJQ-UHFFFAOYSA-N 0 0 435.568 4.753 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000009933937 556317270 /nfs/dbraw/zinc/31/72/70/556317270.db2.gz IXUSNUHUHGZQER-JOCHJYFZSA-N 0 0 435.524 4.502 50 0 IJAARN COc1cccc(-c2nc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)cs2)c1OC ZINC000032753481 556322535 /nfs/dbraw/zinc/32/25/35/556322535.db2.gz IMNNPSXADUWSMB-UHFFFAOYSA-N 0 0 447.896 4.609 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccco3)no2)n1CCCc1ccccc1 ZINC000032754543 556323815 /nfs/dbraw/zinc/32/38/15/556323815.db2.gz VZGHLERQDSTHKO-UHFFFAOYSA-N 0 0 444.516 4.965 50 0 IJAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1OC ZINC000010060193 556324304 /nfs/dbraw/zinc/32/43/04/556324304.db2.gz IBYYROGKOGXBJD-QHCPKHFHSA-N 0 0 440.503 4.981 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cccnc1 ZINC000010231035 556327904 /nfs/dbraw/zinc/32/79/04/556327904.db2.gz KZKFZPZRMJPBDO-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1I ZINC000013895317 556328694 /nfs/dbraw/zinc/32/86/94/556328694.db2.gz CNQMKSRBGIUDJS-UHFFFAOYSA-N 0 0 430.083 4.923 50 0 IJAARN COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(C)c3)c2c1 ZINC000010273878 556329071 /nfs/dbraw/zinc/32/90/71/556329071.db2.gz YLDGULICGGIAEQ-UHFFFAOYSA-N 0 0 427.504 4.569 50 0 IJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)c1 ZINC000013944228 556341253 /nfs/dbraw/zinc/34/12/53/556341253.db2.gz XDDNTRUXKWFXRN-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1 ZINC000013944474 556341726 /nfs/dbraw/zinc/34/17/26/556341726.db2.gz BRLOSIXZXLOPEJ-IBGZPJMESA-N 0 0 434.565 4.582 50 0 IJAARN Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]1 ZINC000011661466 556343085 /nfs/dbraw/zinc/34/30/85/556343085.db2.gz BLECTHIQAMEWSG-FQEVSTJZSA-N 0 0 430.504 4.519 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011666733 556346071 /nfs/dbraw/zinc/34/60/71/556346071.db2.gz LOHRFQNQEMZTSE-VWLOTQADSA-N 0 0 436.471 4.716 50 0 IJAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cn2cc(Cl)cn2)cc1 ZINC000013960963 556348613 /nfs/dbraw/zinc/34/86/13/556348613.db2.gz GJVFCAMUOZQNEH-UHFFFAOYSA-N 0 0 446.942 4.874 50 0 IJAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cccc4c(C)c(C)[nH]c43)C2)c1 ZINC000011770289 556350174 /nfs/dbraw/zinc/35/01/74/556350174.db2.gz DOLIUMZDJLISOF-FQEVSTJZSA-N 0 0 447.579 4.742 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2)c1 ZINC000011775678 556350952 /nfs/dbraw/zinc/35/09/52/556350952.db2.gz UOUPXFFAMQHFEZ-RUZDIDTESA-N 0 0 440.499 4.751 50 0 IJAARN Cc1c(NC(=O)CCS[C@@H](C)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000032778746 556351733 /nfs/dbraw/zinc/35/17/33/556351733.db2.gz CIZRFRHGOGDILH-INIZCTEOSA-N 0 0 429.973 4.961 50 0 IJAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000014017333 556356008 /nfs/dbraw/zinc/35/60/08/556356008.db2.gz BVHUKVQVAZDFBH-QFIPXVFZSA-N 0 0 443.952 4.664 50 0 IJAARN O=C(c1ccccc1Nc1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014022212 556357140 /nfs/dbraw/zinc/35/71/40/556357140.db2.gz QHACYPIZYUWVID-UHFFFAOYSA-N 0 0 430.483 4.690 50 0 IJAARN Fc1ccccc1Cc1noc(CN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000011817219 556359685 /nfs/dbraw/zinc/35/96/85/556359685.db2.gz UCQMJJPCSIRPGC-UHFFFAOYSA-N 0 0 435.421 4.862 50 0 IJAARN COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1F ZINC000011838309 556363394 /nfs/dbraw/zinc/36/33/94/556363394.db2.gz ACWWCOOHIAEKGM-UHFFFAOYSA-N 0 0 425.529 4.809 50 0 IJAARN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000011839162 556363785 /nfs/dbraw/zinc/36/37/85/556363785.db2.gz LNLYKGNKPBMBOW-HXUWFJFHSA-N 0 0 437.495 4.780 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)n1c2ccccc2oc1=O ZINC000014112014 556370150 /nfs/dbraw/zinc/37/01/50/556370150.db2.gz WMLBEEWVFXGZTM-HNNXBMFYSA-N 0 0 429.501 4.995 50 0 IJAARN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)cc1Cl ZINC000014118322 556371517 /nfs/dbraw/zinc/37/15/17/556371517.db2.gz CRXMIBDMTOYFQH-CQSZACIVSA-N 0 0 434.367 4.955 50 0 IJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000014140574 556376500 /nfs/dbraw/zinc/37/65/00/556376500.db2.gz ZICDZZXXEDIYEO-FQEVSTJZSA-N 0 0 425.536 4.802 50 0 IJAARN Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000014142249 556377152 /nfs/dbraw/zinc/37/71/52/556377152.db2.gz VZYXMZQAAMENNE-UHFFFAOYSA-N 0 0 448.958 4.603 50 0 IJAARN COc1ccc(-c2nc(SCc3cc(OC)c(Br)cc3OC)n[nH]2)cc1 ZINC000014160134 556378181 /nfs/dbraw/zinc/37/81/81/556378181.db2.gz WVDFXFOPLSOUAW-UHFFFAOYSA-N 0 0 436.331 4.552 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000014164275 556378992 /nfs/dbraw/zinc/37/89/92/556378992.db2.gz PBUVCKYENHDKKZ-UHFFFAOYSA-N 0 0 431.521 4.695 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC2(C[C@@H]2C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000011974870 556383049 /nfs/dbraw/zinc/38/30/49/556383049.db2.gz TXHAXEONDCEDHB-JOCHJYFZSA-N 0 0 444.579 4.619 50 0 IJAARN O=C1Nc2ccc(Br)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000011990378 556383898 /nfs/dbraw/zinc/38/38/98/556383898.db2.gz HGFLNNYLVXKBDN-OFNKIYASSA-N 0 0 446.304 4.798 50 0 IJAARN CCc1ccc(-c2nc(C)c(C(=O)N(CC)CC(=O)NCc3cccs3)s2)cc1 ZINC000014184215 556384127 /nfs/dbraw/zinc/38/41/27/556384127.db2.gz UIYKWERRVZBOES-UHFFFAOYSA-N 0 0 427.595 4.521 50 0 IJAARN O=C(c1ccccc1OC1CCN(Cc2ccccc2OC(F)F)CC1)N1CCCCC1 ZINC000012004755 556386412 /nfs/dbraw/zinc/38/64/12/556386412.db2.gz BHFAHHDWWFVRNP-UHFFFAOYSA-N 0 0 444.522 4.958 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1nnc(SCc2ccccc2C)n1C ZINC000012035683 556389786 /nfs/dbraw/zinc/38/97/86/556389786.db2.gz IHEWZQOLRFEZSK-INIZCTEOSA-N 0 0 447.564 4.870 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000014201759 556392463 /nfs/dbraw/zinc/39/24/63/556392463.db2.gz QNFWYQCQVZFIHW-LJQANCHMSA-N 0 0 436.606 4.649 50 0 IJAARN O[C@@H]1Cc2ccc3ccccc3c2N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000032809757 556394483 /nfs/dbraw/zinc/39/44/83/556394483.db2.gz DGAOUJSEXOIXOV-GOSISDBHSA-N 0 0 425.410 4.832 50 0 IJAARN COc1ccc([C@H](NCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c2ccccc2)cc1 ZINC000014239975 556400991 /nfs/dbraw/zinc/40/09/91/556400991.db2.gz ZICOERKKHJHPDU-HHHXNRCGSA-N 0 0 440.547 4.815 50 0 IJAARN COc1cc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc(OC)c1OC ZINC000014241681 556402059 /nfs/dbraw/zinc/40/20/59/556402059.db2.gz CEHLZUHBZNVRRM-UHFFFAOYSA-N 0 0 428.510 4.617 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000014242171 556402625 /nfs/dbraw/zinc/40/26/25/556402625.db2.gz URGQRZINBLACFC-UHFFFAOYSA-N 0 0 449.601 4.668 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4F)cc3)n2)cc1 ZINC000032578516 556405268 /nfs/dbraw/zinc/40/52/68/556405268.db2.gz QJMRGBAKAIGJJM-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000032578638 556405307 /nfs/dbraw/zinc/40/53/07/556405307.db2.gz XDEZDJQGCUPJOX-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCCC4=CCCCC4)cc3)n2)cc1 ZINC000032578879 556405785 /nfs/dbraw/zinc/40/57/85/556405785.db2.gz PZUSGCRTYXVJRC-UHFFFAOYSA-N 0 0 433.508 4.798 50 0 IJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3cc(F)cc(F)c3)n2)cc1 ZINC000032579132 556406306 /nfs/dbraw/zinc/40/63/06/556406306.db2.gz UNJPACYZSVPPQO-UHFFFAOYSA-N 0 0 435.430 4.832 50 0 IJAARN CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc21 ZINC000032593474 556406994 /nfs/dbraw/zinc/40/69/94/556406994.db2.gz LUFONDPDWRWPFE-UHFFFAOYSA-N 0 0 425.872 4.773 50 0 IJAARN Cc1c2ccc(Br)cc2oc1C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000032593739 556407176 /nfs/dbraw/zinc/40/71/76/556407176.db2.gz FBSXASACCBJYJO-UHFFFAOYSA-N 0 0 426.270 4.526 50 0 IJAARN C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000014251669 556409294 /nfs/dbraw/zinc/40/92/94/556409294.db2.gz UNABDHQHUWJTBD-JZBBYPHDSA-N 0 0 439.625 4.517 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)NCCc2nc3ccccc3nc2C)cc1OCC ZINC000032824306 556409545 /nfs/dbraw/zinc/40/95/45/556409545.db2.gz CZFKLWIBHJOVJN-UHFFFAOYSA-N 0 0 427.932 4.752 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 ZINC000032622975 556410487 /nfs/dbraw/zinc/41/04/87/556410487.db2.gz LHHOKOZMEFGVMP-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN CC(C)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 ZINC000032623820 556410964 /nfs/dbraw/zinc/41/09/64/556410964.db2.gz NPOHDODTIUQTOH-UHFFFAOYSA-N 0 0 448.903 4.586 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2)cc1 ZINC000014300554 556412699 /nfs/dbraw/zinc/41/26/99/556412699.db2.gz BDESMKAQGPGHDE-RBBKRZOGSA-N 0 0 443.547 4.584 50 0 IJAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCCCC2)n1C[C@H]1CCCCO1 ZINC000032829948 556416728 /nfs/dbraw/zinc/41/67/28/556416728.db2.gz URPLWSPSJGCWAQ-MRXNPFEDSA-N 0 0 429.611 4.742 50 0 IJAARN O=C1N[C@@]2(CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]32)NN1c1ccccc1 ZINC000012959677 556418472 /nfs/dbraw/zinc/41/84/72/556418472.db2.gz UBLXJJQOWTZNHB-TWZJLLKVSA-N 0 0 426.520 4.779 50 0 IJAARN Cc1csc(=O)n1CCCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000032837267 556418484 /nfs/dbraw/zinc/41/84/84/556418484.db2.gz KXNLRRAXRDSDMZ-UHFFFAOYSA-N 0 0 432.492 4.829 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012975986 556421614 /nfs/dbraw/zinc/42/16/14/556421614.db2.gz FYBJPOAABXEUNE-INIZCTEOSA-N 0 0 441.549 4.781 50 0 IJAARN COc1ccc(C)cc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000012976133 556421930 /nfs/dbraw/zinc/42/19/30/556421930.db2.gz DKEJLIBMWJXQJZ-HHHXNRCGSA-N 0 0 446.547 4.607 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1c(F)cccc1F)CC2 ZINC000012976137 556421943 /nfs/dbraw/zinc/42/19/43/556421943.db2.gz CWHPDRHIINTDJL-RUZDIDTESA-N 0 0 438.474 4.568 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)NCc4cccc(Cl)c4)c(=O)c23)cc1 ZINC000012995876 556431154 /nfs/dbraw/zinc/43/11/54/556431154.db2.gz PZAUHHUEIMHNPE-UHFFFAOYSA-N 0 0 437.952 4.793 50 0 IJAARN CCCc1ccc(-c2nc(NC(=O)Cn3nc(C)c4ccccc4c3=O)sc2C)cc1 ZINC000012998163 556432144 /nfs/dbraw/zinc/43/21/44/556432144.db2.gz HSHGRTAUCBLLTJ-UHFFFAOYSA-N 0 0 432.549 4.728 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cnc12 ZINC000032854835 556432849 /nfs/dbraw/zinc/43/28/49/556432849.db2.gz VREDHOMQUMOREB-UHFFFAOYSA-N 0 0 433.508 4.555 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)NC1c2ccccc2-c2ccccc21 ZINC000032857701 556434221 /nfs/dbraw/zinc/43/42/21/556434221.db2.gz DMAWNSPJPHHDDH-UHFFFAOYSA-N 0 0 429.545 4.661 50 0 IJAARN CSc1ccc(N2C[C@@H](C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)CC2=O)cc1 ZINC000013004068 556434474 /nfs/dbraw/zinc/43/44/74/556434474.db2.gz PBUGWTRUKFODAC-SFHVURJKSA-N 0 0 434.565 4.511 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)CC(C)C)c2)N2CCCSC2=N1 ZINC000004406494 556434502 /nfs/dbraw/zinc/43/45/02/556434502.db2.gz YJLHZWFBWHGZAZ-OAQYLSRUSA-N 0 0 429.586 4.746 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000027907711 556435307 /nfs/dbraw/zinc/43/53/07/556435307.db2.gz QZFAOALOHLSBGZ-VWLOTQADSA-N 0 0 439.515 4.762 50 0 IJAARN COCCCn1c(SC[C@H]2CN=C(c3ccccc3)O2)nnc1-c1ccccc1Cl ZINC000013008742 556435402 /nfs/dbraw/zinc/43/54/02/556435402.db2.gz IVFMXPUNSOUHSK-QGZVFWFLSA-N 0 0 442.972 4.573 50 0 IJAARN C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)c1ccc(Br)cc1 ZINC000013015538 556437391 /nfs/dbraw/zinc/43/73/91/556437391.db2.gz PBTIHAXQSFTANW-ZDUSSCGKSA-N 0 0 446.322 4.913 50 0 IJAARN CCOC(=O)c1sc2[nH]c([C@H](C)SCc3ccccc3OCC)nc(=O)c2c1C ZINC000013018221 556439080 /nfs/dbraw/zinc/43/90/80/556439080.db2.gz FJNWGVCJYRHSNP-ZDUSSCGKSA-N 0 0 432.567 4.863 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3cc(Cl)ccc3O)c2[C@@H]1c1ccccc1F ZINC000027991747 556440086 /nfs/dbraw/zinc/44/00/86/556440086.db2.gz QDBAOYDKHNJIEY-QFIPXVFZSA-N 0 0 443.906 4.935 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000013027194 556441094 /nfs/dbraw/zinc/44/10/94/556441094.db2.gz HQMWQTSFXWFBEF-QHCPKHFHSA-N 0 0 436.533 4.661 50 0 IJAARN O=C(Nc1nc(CC(=O)N2CCc3ccccc3C2)cs1)Nc1cccc(Cl)c1 ZINC000011027578 556444898 /nfs/dbraw/zinc/44/48/98/556444898.db2.gz QCQVTMYNZBGERC-UHFFFAOYSA-N 0 0 426.929 4.568 50 0 IJAARN C[C@H](Sc1n[nH]c(=O)n1C1CC1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000028189764 556444992 /nfs/dbraw/zinc/44/49/92/556444992.db2.gz XBVZUGDWFUAWFS-ZDUSSCGKSA-N 0 0 425.945 4.811 50 0 IJAARN O=C(COc1ccc(C2SCCCS2)cc1)OCC(=O)c1c[nH]c2ccccc21 ZINC000013039315 556445132 /nfs/dbraw/zinc/44/51/32/556445132.db2.gz HMPODJDCOKAIBX-UHFFFAOYSA-N 0 0 427.547 4.842 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)no1 ZINC000014774800 556445160 /nfs/dbraw/zinc/44/51/60/556445160.db2.gz LMJFPUQQPLLNTR-UHFFFAOYSA-N 0 0 428.420 4.611 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000013041303 556447482 /nfs/dbraw/zinc/44/74/82/556447482.db2.gz AFFUYHSXFZOPLE-HSZRJFAPSA-N 0 0 444.503 4.630 50 0 IJAARN CCOc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OC(F)F ZINC000028330069 556452723 /nfs/dbraw/zinc/45/27/23/556452723.db2.gz SJEFUUPFKPYWDZ-KRWDZBQOSA-N 0 0 433.451 4.825 50 0 IJAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OC(F)F ZINC000028330064 556452780 /nfs/dbraw/zinc/45/27/80/556452780.db2.gz SJEFUUPFKPYWDZ-QGZVFWFLSA-N 0 0 433.451 4.825 50 0 IJAARN O=C(Nc1nccs1)c1nc(SCc2ccc(Cl)cc2)ncc1Br ZINC000028403483 556453832 /nfs/dbraw/zinc/45/38/32/556453832.db2.gz MPSLAMCEIZCESS-UHFFFAOYSA-N 0 0 441.763 4.894 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000013072940 556454034 /nfs/dbraw/zinc/45/40/34/556454034.db2.gz ACHCLOAEIFKPLR-HXUWFJFHSA-N 0 0 444.553 4.974 50 0 IJAARN CC[C@H](NC(=O)Nc1ccc(OC)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275179 556455432 /nfs/dbraw/zinc/45/54/32/556455432.db2.gz UZPSMOKDNMEYRH-INIZCTEOSA-N 0 0 431.290 4.781 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1ccc(OC)cc1 ZINC000032958443 556456090 /nfs/dbraw/zinc/45/60/90/556456090.db2.gz YMCFIYUPFKJRSV-UHFFFAOYSA-N 0 0 434.525 4.799 50 0 IJAARN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1 ZINC000028574706 556456730 /nfs/dbraw/zinc/45/67/30/556456730.db2.gz OAJTUZWJSNDKAC-UHFFFAOYSA-N 0 0 442.445 4.833 50 0 IJAARN COC(=O)c1cccc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)c1 ZINC000013096518 556457282 /nfs/dbraw/zinc/45/72/82/556457282.db2.gz FVVGLUFOEAGONK-UHFFFAOYSA-N 0 0 440.521 4.880 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1C ZINC000013098697 556459197 /nfs/dbraw/zinc/45/91/97/556459197.db2.gz BVNNQZIDTSPKSY-UHFFFAOYSA-N 0 0 441.487 4.727 50 0 IJAARN Cc1cc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)n(-c2ccc(C)cc2)n1 ZINC000013109952 556463651 /nfs/dbraw/zinc/46/36/51/556463651.db2.gz VBRKULZPWVFOKQ-UHFFFAOYSA-N 0 0 444.564 4.678 50 0 IJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2sc(C)nc2C)C3)c1 ZINC000014960567 556463885 /nfs/dbraw/zinc/46/38/85/556463885.db2.gz JPHGMKVRBSEKIM-GOSISDBHSA-N 0 0 438.524 4.811 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1 ZINC000032959142 556464130 /nfs/dbraw/zinc/46/41/30/556464130.db2.gz CTMILUOGUBWTGR-UHFFFAOYSA-N 0 0 438.314 4.891 50 0 IJAARN O=C(CSc1nnc2n1CCCCC2)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000013110086 556464206 /nfs/dbraw/zinc/46/42/06/556464206.db2.gz ULLCDDPBDAOXRX-HNNXBMFYSA-N 0 0 443.623 4.598 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000013112198 556464446 /nfs/dbraw/zinc/46/44/46/556464446.db2.gz FCGQXVXBZNJCCG-IYBDPMFKSA-N 0 0 441.988 4.864 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000028942743 556464889 /nfs/dbraw/zinc/46/48/89/556464889.db2.gz OXWPLMHQGFTLNX-GOSISDBHSA-N 0 0 428.970 4.681 50 0 IJAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000014964345 556465124 /nfs/dbraw/zinc/46/51/24/556465124.db2.gz ZVDJPFJKRVZLGB-OAQYLSRUSA-N 0 0 443.503 4.623 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cc12 ZINC000013117114 556469176 /nfs/dbraw/zinc/46/91/76/556469176.db2.gz NFNBYNDTKFDDOD-IBGZPJMESA-N 0 0 447.560 4.675 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000013117422 556469800 /nfs/dbraw/zinc/46/98/00/556469800.db2.gz BNBKOGWJTYEGRF-KRWDZBQOSA-N 0 0 446.573 4.993 50 0 IJAARN Fc1ccc(-c2csc3ncnc(NCc4ccc(CN5CCOCC5)cc4)c23)cc1 ZINC000013120362 556472339 /nfs/dbraw/zinc/47/23/39/556472339.db2.gz NAEVFDUCNAHSRI-UHFFFAOYSA-N 0 0 434.540 4.942 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCCCCC1 ZINC000013121131 556473881 /nfs/dbraw/zinc/47/38/81/556473881.db2.gz BJMNCAMWLHPIIO-OAHLLOKOSA-N 0 0 434.993 4.729 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N1CCc2ccccc21 ZINC000013121378 556474133 /nfs/dbraw/zinc/47/41/33/556474133.db2.gz SPYHPYQMZABWBD-GFCCVEGCSA-N 0 0 430.327 4.569 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000013124633 556474896 /nfs/dbraw/zinc/47/48/96/556474896.db2.gz JFUSFBAGOHIRKT-FOIQADDNSA-N 0 0 431.558 4.763 50 0 IJAARN Cc1nc(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)n(C2CCCCC2)c1C ZINC000029448693 556475406 /nfs/dbraw/zinc/47/54/06/556475406.db2.gz WUNPKDAJYUYOHL-UHFFFAOYSA-N 0 0 437.613 4.942 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000013127181 556475677 /nfs/dbraw/zinc/47/56/77/556475677.db2.gz TVHKAQHCZSRLDN-OALUTQOASA-N 0 0 449.898 4.932 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)c(C)n1Cc1ccccc1 ZINC000013127163 556475703 /nfs/dbraw/zinc/47/57/03/556475703.db2.gz UFBXPDBUQQNFHL-SFHVURJKSA-N 0 0 442.610 4.571 50 0 IJAARN CCCc1ccc([C@H](NC(=O)c2cccc(NS(=O)(=O)CC)c2)c2cccs2)cc1 ZINC000029547428 556477858 /nfs/dbraw/zinc/47/78/58/556477858.db2.gz PBNJIKYTKFLGIS-QFIPXVFZSA-N 0 0 442.606 4.982 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C ZINC000013128823 556478453 /nfs/dbraw/zinc/47/84/53/556478453.db2.gz CULZSERDJZGMNT-UHFFFAOYSA-N 0 0 433.537 4.884 50 0 IJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000029696278 556480230 /nfs/dbraw/zinc/48/02/30/556480230.db2.gz RVZVDYNUMKDCAK-UHFFFAOYSA-N 0 0 432.520 4.551 50 0 IJAARN COc1ccc2nc(C)c(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)cc2c1 ZINC000029770154 556482108 /nfs/dbraw/zinc/48/21/08/556482108.db2.gz FSKPEJVPAREWDP-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN COC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000013135022 556483190 /nfs/dbraw/zinc/48/31/90/556483190.db2.gz FXPANCPOLRNVHO-IAGOWNOFSA-N 0 0 447.560 4.876 50 0 IJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(NCc3cccs3)c2c1C ZINC000013137496 556484325 /nfs/dbraw/zinc/48/43/25/556484325.db2.gz FRISASDBYXNPIB-UHFFFAOYSA-N 0 0 430.599 4.836 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc(Br)c1OC ZINC000013138745 556485373 /nfs/dbraw/zinc/48/53/73/556485373.db2.gz HPDOOJSGENNJES-NVNXTCNLSA-N 0 0 436.689 4.854 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCc1ccccc1 ZINC000013141254 556486587 /nfs/dbraw/zinc/48/65/87/556486587.db2.gz RPISHLLUFPABCE-UHFFFAOYSA-N 0 0 438.940 4.648 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)cc(OC)c1OC ZINC000015024491 556488825 /nfs/dbraw/zinc/48/88/25/556488825.db2.gz LFWMSSSUAAFCST-UHFFFAOYSA-N 0 0 431.492 4.557 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000030011820 556488832 /nfs/dbraw/zinc/48/88/32/556488832.db2.gz SVPDGJTZGNJYID-AWEZNQCLSA-N 0 0 444.915 4.871 50 0 IJAARN c1ccc(-c2[nH]c3ccccc3c2[C@H](CNc2ccc3nnnn3n2)c2ccccc2)cc1 ZINC000032871778 556489771 /nfs/dbraw/zinc/48/97/71/556489771.db2.gz HLVBLRPHPSBTAD-OAQYLSRUSA-N 0 0 431.503 4.912 50 0 IJAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Oc1ccccc1Cl ZINC000030061138 556490327 /nfs/dbraw/zinc/49/03/27/556490327.db2.gz QFKLPQNFHIDTNC-UHFFFAOYSA-N 0 0 435.867 4.577 50 0 IJAARN O=C(c1csc(-c2cccs2)n1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000015063174 556490985 /nfs/dbraw/zinc/49/09/85/556490985.db2.gz NHNRDKWFXLXUNB-UHFFFAOYSA-N 0 0 432.998 4.982 50 0 IJAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000015065297 556492402 /nfs/dbraw/zinc/49/24/02/556492402.db2.gz BSISNTZOBHDJRN-RUZDIDTESA-N 0 0 438.474 4.541 50 0 IJAARN O=C([C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1)N1CCOCC1 ZINC000013163483 556493751 /nfs/dbraw/zinc/49/37/51/556493751.db2.gz QYOLHNBTHUYWBJ-QGZVFWFLSA-N 0 0 446.985 4.627 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 ZINC000013163856 556494706 /nfs/dbraw/zinc/49/47/06/556494706.db2.gz JNQMSSZGSWNFRA-FQEVSTJZSA-N 0 0 434.521 4.864 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000030476793 556495082 /nfs/dbraw/zinc/49/50/82/556495082.db2.gz ZAJZLYVTUYDIBE-OAQYLSRUSA-N 0 0 438.574 4.789 50 0 IJAARN CC(=O)Nc1ccc(OC[C@@H](O)COc2cc3sc(C)nc3c3sccc32)cc1 ZINC000030531518 556496976 /nfs/dbraw/zinc/49/69/76/556496976.db2.gz VGKVLFZUAHBMJA-OAHLLOKOSA-N 0 0 428.535 4.597 50 0 IJAARN COc1cc(Cl)ccc1OCc1cc(C(=O)NCc2ccccc2C(F)(F)F)no1 ZINC000015073210 556497269 /nfs/dbraw/zinc/49/72/69/556497269.db2.gz XSVOCYJMKCGBLY-UHFFFAOYSA-N 0 0 440.805 4.864 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)c(OC)c1 ZINC000013165049 556498035 /nfs/dbraw/zinc/49/80/35/556498035.db2.gz JMCVPWPDKIXZEF-QHCPKHFHSA-N 0 0 436.508 4.865 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)c(OC)c1 ZINC000013165050 556498074 /nfs/dbraw/zinc/49/80/74/556498074.db2.gz JMCVPWPDKIXZEF-HSZRJFAPSA-N 0 0 436.508 4.865 50 0 IJAARN CCc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCCCC2 ZINC000004554285 556502897 /nfs/dbraw/zinc/50/28/97/556502897.db2.gz FAOKABHKUYGBHZ-UHFFFAOYSA-N 0 0 425.598 4.866 50 0 IJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1 ZINC000015106677 556504272 /nfs/dbraw/zinc/50/42/72/556504272.db2.gz CKOQERWTXYSERI-MRXNPFEDSA-N 0 0 436.489 4.520 50 0 IJAARN COc1ccc(-c2noc(C)c2C2N=NC(=S)N2c2cc(Cl)ccc2OC)cc1 ZINC000015109531 556504866 /nfs/dbraw/zinc/50/48/66/556504866.db2.gz AAGRHLQEOUMJPP-UHFFFAOYSA-N 0 0 428.901 4.857 50 0 IJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCO[C@H](c2ccccc2)C1 ZINC000030764944 556505519 /nfs/dbraw/zinc/50/55/19/556505519.db2.gz NAWJPIHPJOWCJJ-QFIPXVFZSA-N 0 0 429.545 4.874 50 0 IJAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022937416 556506222 /nfs/dbraw/zinc/50/62/22/556506222.db2.gz NZALYTSLTXWZRB-XMMPIXPASA-N 0 0 428.511 4.783 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(Br)cc2C)nc2ccccc2c1=O ZINC000015226129 556512371 /nfs/dbraw/zinc/51/23/71/556512371.db2.gz JJLNDFWQKSXNPQ-UHFFFAOYSA-N 0 0 446.370 4.608 50 0 IJAARN O=C(Nc1nnc(S(=O)(=O)Cc2ccccc2Cl)s1)c1cccc2ccccc21 ZINC000013549371 556514604 /nfs/dbraw/zinc/51/46/04/556514604.db2.gz BGFKQCMVKIISLV-UHFFFAOYSA-N 0 0 443.937 4.571 50 0 IJAARN O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c12 ZINC000030903384 556515066 /nfs/dbraw/zinc/51/50/66/556515066.db2.gz BKNIAFXHJQSKQF-KRWDZBQOSA-N 0 0 444.922 4.539 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955416 556518281 /nfs/dbraw/zinc/51/82/81/556518281.db2.gz YGQZGERLVNJQCZ-UHFFFAOYSA-N 0 0 431.323 4.894 50 0 IJAARN Cc1ccc(N2CC(=O)N(c3ccc(Br)cc3)[C@H](c3ccccc3)C2=O)cc1 ZINC000015413060 556525669 /nfs/dbraw/zinc/52/56/69/556525669.db2.gz UKZFMECRYGNZIV-JOCHJYFZSA-N 0 0 435.321 4.879 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)c(Cl)c1 ZINC000064988923 556528653 /nfs/dbraw/zinc/52/86/53/556528653.db2.gz LXESMBOYGXTDJI-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CS[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000015495524 556531029 /nfs/dbraw/zinc/53/10/29/556531029.db2.gz DNQPQHKFVUPTPG-CQSZACIVSA-N 0 0 442.976 4.728 50 0 IJAARN CS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(Br)c4)n3)ccc21 ZINC000015525318 556533203 /nfs/dbraw/zinc/53/32/03/556533203.db2.gz SORWBOXMFAZZJL-UHFFFAOYSA-N 0 0 435.368 4.562 50 0 IJAARN O=C1OC(c2ccccc2F)=N/C1=C1/C=C(c2ccc3c(c2)OCCO3)Oc2ccccc21 ZINC000013629718 556538870 /nfs/dbraw/zinc/53/88/70/556538870.db2.gz YLUFZHJLWBKWMN-MOHJPFBDSA-N 0 0 441.414 4.745 50 0 IJAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000032902848 556540918 /nfs/dbraw/zinc/54/09/18/556540918.db2.gz QVQUKVXYVXYDOD-UHFFFAOYSA-N 0 0 446.894 4.930 50 0 IJAARN COc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000097898294 556541900 /nfs/dbraw/zinc/54/19/00/556541900.db2.gz BDGXBYLXUCFGJH-WCTVFOPTSA-N 0 0 443.503 4.739 50 0 IJAARN CC[C@H](C)OC(=O)c1c2c(sc1NC(=O)c1cc(-c3cnn(C)c3C)no1)CCCC2 ZINC000013641875 556542548 /nfs/dbraw/zinc/54/25/48/556542548.db2.gz MSTRBIKSJCIRIV-LBPRGKRZSA-N 0 0 442.541 4.531 50 0 IJAARN Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641654 556542586 /nfs/dbraw/zinc/54/25/86/556542586.db2.gz SQJPLKIUAODTIE-UHFFFAOYSA-N 0 0 431.492 4.626 50 0 IJAARN COc1cccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)c1 ZINC000013648154 556544747 /nfs/dbraw/zinc/54/47/47/556544747.db2.gz GCMPOJXQRBLRKU-CAOCKLPOSA-N 0 0 442.515 4.672 50 0 IJAARN O=C(CCCn1c(=O)oc2ccccc21)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721804 556547402 /nfs/dbraw/zinc/54/74/02/556547402.db2.gz RRLWZUZWSQRLNI-OVALSLBJSA-N 0 0 438.527 4.788 50 0 IJAARN O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721803 556547453 /nfs/dbraw/zinc/54/74/53/556547453.db2.gz RRLWZUZWSQRLNI-QYVVGCJJSA-N 0 0 438.527 4.788 50 0 IJAARN COc1ccccc1[C@H]1Oc2nc(SCC(C)C)nnc2-c2ccccc2N1C(C)=O ZINC000032997440 556551467 /nfs/dbraw/zinc/55/14/67/556551467.db2.gz GOBNHVKPKXKPOE-JOCHJYFZSA-N 0 0 436.537 4.739 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997843 556551950 /nfs/dbraw/zinc/55/19/50/556551950.db2.gz RWUVLOVUZKMNEH-LJQANCHMSA-N 0 0 430.892 4.887 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000032998319 556552272 /nfs/dbraw/zinc/55/22/72/556552272.db2.gz KPUCOTBHULRZJC-UHFFFAOYSA-N 0 0 434.492 4.536 50 0 IJAARN CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2OC)cc1 ZINC000015800348 556553099 /nfs/dbraw/zinc/55/30/99/556553099.db2.gz IBSMUBGYMWLVHM-XWCAUFEOSA-N 0 0 426.538 4.805 50 0 IJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000033086814 556553851 /nfs/dbraw/zinc/55/38/51/556553851.db2.gz HHYFHCGYSNYBCT-INIZCTEOSA-N 0 0 430.302 4.940 50 0 IJAARN O=C(Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1)C1CCC1 ZINC000033114906 556554286 /nfs/dbraw/zinc/55/42/86/556554286.db2.gz QFWPLXAXNZXORS-UHFFFAOYSA-N 0 0 443.370 4.979 50 0 IJAARN COc1cc(CN(C[C@@H]2CCCO2)C(=O)c2oc3ccccc3c2C)cc(OC)c1OC ZINC000015831885 556554966 /nfs/dbraw/zinc/55/49/66/556554966.db2.gz PNVXOBJPEJRGCW-SFHVURJKSA-N 0 0 439.508 4.588 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c1 ZINC000033115403 556554959 /nfs/dbraw/zinc/55/49/59/556554959.db2.gz JDWDOTQTAKUCJN-UHFFFAOYSA-N 0 0 426.582 4.666 50 0 IJAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(CCc4ccccc4)nc(SC)n3c(=O)c21 ZINC000015839512 556556390 /nfs/dbraw/zinc/55/63/90/556556390.db2.gz XUNPERLPVXJZAX-RUZDIDTESA-N 0 0 430.577 4.746 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)s1 ZINC000032905942 556556913 /nfs/dbraw/zinc/55/69/13/556556913.db2.gz YFVQLXXPCJUFEM-LBPRGKRZSA-N 0 0 428.583 4.658 50 0 IJAARN CCc1ccc(-n2ncc(-c3cc(C(=O)NC[C@@H]4CCCO4)c4ccccc4n3)c2C)cc1 ZINC000033258088 556557272 /nfs/dbraw/zinc/55/72/72/556557272.db2.gz AOBRKKVJFYWLPB-NRFANRHFSA-N 0 0 440.547 4.867 50 0 IJAARN CCOCCCNC(=O)c1cc(-c2cnn(-c3ccc(F)cc3)c2C)nc2ccccc21 ZINC000033258111 556557426 /nfs/dbraw/zinc/55/74/26/556557426.db2.gz CEQWVPVLJFJUBO-UHFFFAOYSA-N 0 0 432.499 4.691 50 0 IJAARN Cc1c(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000033258124 556557431 /nfs/dbraw/zinc/55/74/31/556557431.db2.gz YGHCPXNJNDBNSY-OAQYLSRUSA-N 0 0 440.547 4.922 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCc4ccccc4)CC3)cc2)cc1 ZINC000033274801 556559202 /nfs/dbraw/zinc/55/92/02/556559202.db2.gz SXFHENVIIZVREB-UHFFFAOYSA-N 0 0 448.588 4.576 50 0 IJAARN O=C(NCCCC1(C2OCCO2)CCCCCC1)Nc1nc(-c2cccnc2)cs1 ZINC000072306180 556559364 /nfs/dbraw/zinc/55/93/64/556559364.db2.gz QBYHPWDRVJCTIW-UHFFFAOYSA-N 0 0 430.574 4.820 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000015869603 556560252 /nfs/dbraw/zinc/56/02/52/556560252.db2.gz IAPNLCSTJRLZQO-UHFFFAOYSA-N 0 0 440.609 4.920 50 0 IJAARN NC(=O)C1CCN(C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2cccs2)CC1 ZINC000032907851 556563895 /nfs/dbraw/zinc/56/38/95/556563895.db2.gz MWQLNNPFRHHXBK-HAVVHWLPSA-N 0 0 446.572 4.592 50 0 IJAARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000032908144 556564165 /nfs/dbraw/zinc/56/41/65/556564165.db2.gz ZMPZVSRCNQIGEY-KSKOPSKJSA-N 0 0 427.614 4.678 50 0 IJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(OC)cc1 ZINC000033438734 556564327 /nfs/dbraw/zinc/56/43/27/556564327.db2.gz ABIATHLICSORRD-UHFFFAOYSA-N 0 0 448.563 4.720 50 0 IJAARN FC(F)(F)c1cc(NC(=S)N2CCN(c3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC000033808193 556568029 /nfs/dbraw/zinc/56/80/29/556568029.db2.gz YRGJGDNXQUQAIS-UHFFFAOYSA-N 0 0 434.409 4.638 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1OC ZINC000032960927 556571399 /nfs/dbraw/zinc/57/13/99/556571399.db2.gz DJEKVHSXVSVOOP-UHFFFAOYSA-N 0 0 429.520 4.855 50 0 IJAARN Cc1cc(C)cc(C(=O)N(C)CCc2noc(COc3cccc(C(F)(F)F)c3)n2)c1 ZINC000032961044 556571862 /nfs/dbraw/zinc/57/18/62/556571862.db2.gz SOFBFASTNIGACB-UHFFFAOYSA-N 0 0 433.430 4.599 50 0 IJAARN C[C@H](CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)NC(=O)C1CCCC1 ZINC000072310823 556577025 /nfs/dbraw/zinc/57/70/25/556577025.db2.gz KWJCPHTVEHUYSK-BZNIZROVSA-N 0 0 425.369 4.937 50 0 IJAARN CCCN(CCC)C(=O)c1ccc(NC(=O)N(C)Cc2c(Cl)nc3sccn32)cc1 ZINC000072309855 556577617 /nfs/dbraw/zinc/57/76/17/556577617.db2.gz WDGADJKDKDYQEI-UHFFFAOYSA-N 0 0 447.992 4.975 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1 ZINC000022130522 556577952 /nfs/dbraw/zinc/57/79/52/556577952.db2.gz MHINXKRJMBVSJH-OAQYLSRUSA-N 0 0 437.952 4.933 50 0 IJAARN Cc1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2nc(C3CC3)nc(C)c12 ZINC000032909937 556578113 /nfs/dbraw/zinc/57/81/13/556578113.db2.gz DOARLUQQDUTZLO-KRWDZBQOSA-N 0 0 435.549 4.934 50 0 IJAARN CC(C)CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000016044418 556579002 /nfs/dbraw/zinc/57/90/02/556579002.db2.gz CFGVYNKIRKEQEC-UHFFFAOYSA-N 0 0 448.551 4.581 50 0 IJAARN CC(C)N(C(=O)n1cnn(-c2ccc(Cl)cc2Cl)c1=O)c1ccc(F)cc1F ZINC000034559885 556579557 /nfs/dbraw/zinc/57/95/57/556579557.db2.gz DHYXNIKICPUXJI-UHFFFAOYSA-N 0 0 427.238 4.502 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2nc(SC)[nH]c(=O)c21 ZINC000016046183 556580191 /nfs/dbraw/zinc/58/01/91/556580191.db2.gz WHLRWRJUZKPWAO-UHFFFAOYSA-N 0 0 444.727 4.844 50 0 IJAARN COc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)oc1ccccc12 ZINC000016050410 556580994 /nfs/dbraw/zinc/58/09/94/556580994.db2.gz LHPICZOUEHJHRB-UHFFFAOYSA-N 0 0 431.416 4.843 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000016110782 556583370 /nfs/dbraw/zinc/58/33/70/556583370.db2.gz SAVQGYOBHHFBSP-UHFFFAOYSA-N 0 0 440.377 4.818 50 0 IJAARN CCCCCn1c2ccccc2nc1SCC(=O)NCc1ccc(OC)c(OC)c1 ZINC000032910716 556584328 /nfs/dbraw/zinc/58/43/28/556584328.db2.gz BDSQGGSLKRKEKZ-UHFFFAOYSA-N 0 0 427.570 4.652 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000016183812 556587534 /nfs/dbraw/zinc/58/75/34/556587534.db2.gz WUEMTZNLFJLWQC-KRWDZBQOSA-N 0 0 429.775 4.517 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000032972045 556589842 /nfs/dbraw/zinc/58/98/42/556589842.db2.gz PBLSSKKKYDHTMU-UHFFFAOYSA-N 0 0 444.560 4.786 50 0 IJAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NC(C)C)co2)[C@H](C)c2ccccc2)c1 ZINC000036073343 556592611 /nfs/dbraw/zinc/59/26/11/556592611.db2.gz LOZGJYMHVOTGSZ-GOSISDBHSA-N 0 0 437.540 4.593 50 0 IJAARN Cc1ccc(OCc2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000016260272 556594932 /nfs/dbraw/zinc/59/49/32/556594932.db2.gz VRGZOVGQUBWHGF-HXUWFJFHSA-N 0 0 436.533 4.779 50 0 IJAARN O=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000036249468 556595563 /nfs/dbraw/zinc/59/55/63/556595563.db2.gz BKOXGMJSFBBPCU-HXUWFJFHSA-N 0 0 435.524 4.746 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)NCCC(C)C)c1C ZINC000032974536 556595757 /nfs/dbraw/zinc/59/57/57/556595757.db2.gz GMEIGMDGGXWTJM-UHFFFAOYSA-N 0 0 429.561 4.575 50 0 IJAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000016282710 556596712 /nfs/dbraw/zinc/59/67/12/556596712.db2.gz ODDDAFNDQDYOBA-UHFFFAOYSA-N 0 0 436.924 4.907 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344210 556597050 /nfs/dbraw/zinc/59/70/50/556597050.db2.gz WESZQCOVYXAMTJ-VWLOTQADSA-N 0 0 449.595 4.730 50 0 IJAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N1CCC[C@H]1c1cccs1 ZINC000016336241 556601000 /nfs/dbraw/zinc/60/10/00/556601000.db2.gz CNVHQDKBJDWTID-HNNXBMFYSA-N 0 0 434.587 4.807 50 0 IJAARN O=S(=O)(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000016447657 556608080 /nfs/dbraw/zinc/60/80/80/556608080.db2.gz GZIMQBFMZGXZOH-UHFFFAOYSA-N 0 0 442.500 4.989 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 ZINC000032987982 556608747 /nfs/dbraw/zinc/60/87/47/556608747.db2.gz BEYPXABQJIZPRL-LJQANCHMSA-N 0 0 438.524 4.935 50 0 IJAARN O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCN(c2ccccc2F)CC1 ZINC000016489453 556612067 /nfs/dbraw/zinc/61/20/67/556612067.db2.gz CWEWFHRJIPGDMR-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CCc1c(C(N)=O)cnn1-c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC000032915493 556612724 /nfs/dbraw/zinc/61/27/24/556612724.db2.gz WSKSQJFUTJXUOS-UHFFFAOYSA-N 0 0 442.903 4.793 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1c(Cl)c2cc(Br)ccc2n1C ZINC000032916149 556613800 /nfs/dbraw/zinc/61/38/00/556613800.db2.gz DJNNANZAGDHNBR-UHFFFAOYSA-N 0 0 448.748 4.580 50 0 IJAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc(Br)c1 ZINC000016677718 556622643 /nfs/dbraw/zinc/62/26/43/556622643.db2.gz OLTPEZCPQXVRDX-QFIPXVFZSA-N 0 0 448.368 4.955 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)n2)cc1 ZINC000032999077 556627078 /nfs/dbraw/zinc/62/70/78/556627078.db2.gz XYQZQAZZKZLWCQ-UHFFFAOYSA-N 0 0 445.519 4.761 50 0 IJAARN CC(=O)CC[C@@H]1C(=O)c2c(O)cc(O[C@@H](C)CCCc3ccccc3)cc2N(C=O)[C@@H]1C ZINC000039335227 556627638 /nfs/dbraw/zinc/62/76/38/556627638.db2.gz RJCHLQZXSWIIAI-JQVVWYNYSA-N 0 0 437.536 4.715 50 0 IJAARN COc1ccc(C[C@H](N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694981 556628619 /nfs/dbraw/zinc/62/86/19/556628619.db2.gz OIVBKIFJXRMZRF-OSPHWJPCSA-N 0 0 429.520 4.575 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 ZINC000016733893 556632451 /nfs/dbraw/zinc/63/24/51/556632451.db2.gz IFFCNASMZGPEQY-ZBEGNZNMSA-N 0 0 427.353 4.841 50 0 IJAARN O=C(CCC1CCCC1)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C1CC1 ZINC000005096510 556634696 /nfs/dbraw/zinc/63/46/96/556634696.db2.gz HBLFKKMSVAYNOH-UHFFFAOYSA-N 0 0 426.532 4.909 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 ZINC000016741988 556635727 /nfs/dbraw/zinc/63/57/27/556635727.db2.gz FLPCNWWMVUUQNA-SFHVURJKSA-N 0 0 439.443 4.625 50 0 IJAARN CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCc1ccccc1 ZINC000016752179 556637867 /nfs/dbraw/zinc/63/78/67/556637867.db2.gz BLGBZMRCMOITBV-UHFFFAOYSA-N 0 0 430.441 4.778 50 0 IJAARN COc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000409414097 556639560 /nfs/dbraw/zinc/63/95/60/556639560.db2.gz NZAQNVXXFHQUMI-JOCHJYFZSA-N 0 0 431.492 4.786 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000016762078 556639833 /nfs/dbraw/zinc/63/98/33/556639833.db2.gz LEFOKHWDNLYCHU-GFCCVEGCSA-N 0 0 427.913 4.663 50 0 IJAARN COC(=O)c1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409413365 556640730 /nfs/dbraw/zinc/64/07/30/556640730.db2.gz BKHARDQNIFLFAR-QFIPXVFZSA-N 0 0 443.503 4.859 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)c2ccccc12 ZINC000016780436 556641298 /nfs/dbraw/zinc/64/12/98/556641298.db2.gz XOBKSOLABWDBOJ-UHFFFAOYSA-N 0 0 430.529 4.647 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2cccs2)oc1NCc1ccc2c(c1)OCO2 ZINC000016806536 556644171 /nfs/dbraw/zinc/64/41/71/556644171.db2.gz MTDVBFVVQPMTCT-UHFFFAOYSA-N 0 0 436.426 4.635 50 0 IJAARN O=c1/c(=C/c2ccc(-c3ccccc3Cl)o2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000016807457 556644506 /nfs/dbraw/zinc/64/45/06/556644506.db2.gz IOJCCYJILJBQSC-ZXTVHIMQSA-N 0 0 431.904 4.783 50 0 IJAARN COc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3ccccc3Cl)n2)cc1 ZINC000032922337 556644981 /nfs/dbraw/zinc/64/49/81/556644981.db2.gz HUJVCTCZVJQSOO-SFHVURJKSA-N 0 0 429.929 4.678 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1)N1CCCC1 ZINC000037557283 556645247 /nfs/dbraw/zinc/64/52/47/556645247.db2.gz URIVWNBXMUCWKZ-UHFFFAOYSA-N 0 0 434.486 4.977 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NCC1CC1 ZINC000037601311 556646260 /nfs/dbraw/zinc/64/62/60/556646260.db2.gz GKHSWDQPZVUNBS-BDYUSTAISA-N 0 0 448.607 4.890 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037601738 556646429 /nfs/dbraw/zinc/64/64/29/556646429.db2.gz NVFUNNAMUDKATN-RPBOFIJWSA-N 0 0 436.596 4.807 50 0 IJAARN CC(C)C(=O)N1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@@H]1c1cccc(F)c1 ZINC000037602551 556646691 /nfs/dbraw/zinc/64/66/91/556646691.db2.gz JXTLTWCZKQDXLT-SANMLTNESA-N 0 0 446.522 4.973 50 0 IJAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2cccc(F)c2)n(C)c3=O)cc1 ZINC000016846122 556647104 /nfs/dbraw/zinc/64/71/04/556647104.db2.gz HPLJVLOTRMLLDM-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2)cc1 ZINC000016953515 556650181 /nfs/dbraw/zinc/65/01/81/556650181.db2.gz ZPGHZPBHRXJNCJ-HSZRJFAPSA-N 0 0 432.545 4.582 50 0 IJAARN O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000011757732 556651742 /nfs/dbraw/zinc/65/17/42/556651742.db2.gz QIBVWKYOGWQBGB-UHFFFAOYSA-N 0 0 433.249 4.806 50 0 IJAARN Cc1cccc(C(O)(C(=O)NN(C(=O)c2ccco2)c2ccccc2)c2cccc(C)c2)c1 ZINC000001513326 556652637 /nfs/dbraw/zinc/65/26/37/556652637.db2.gz CWEKYANDVJLTMH-UHFFFAOYSA-N 0 0 440.499 4.511 50 0 IJAARN Cc1nc(-n2nc(C)c(Cc3ccc4c(c3)OCO4)c2C)sc1C(=O)Nc1ccccc1 ZINC000033000051 556654029 /nfs/dbraw/zinc/65/40/29/556654029.db2.gz ZEFVIQMBHKTZAV-UHFFFAOYSA-N 0 0 446.532 4.826 50 0 IJAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)c1=O ZINC000033005865 556654982 /nfs/dbraw/zinc/65/49/82/556654982.db2.gz IGRAVNXQLOANIZ-LJQANCHMSA-N 0 0 425.532 4.504 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)cc1 ZINC000033006133 556655212 /nfs/dbraw/zinc/65/52/12/556655212.db2.gz PVFGOPBLGIEUMT-UHFFFAOYSA-N 0 0 439.559 4.862 50 0 IJAARN COc1cc(NC(=O)NCc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008643 556656216 /nfs/dbraw/zinc/65/62/16/556656216.db2.gz LYQBWOOIMITDLU-UHFFFAOYSA-N 0 0 432.505 4.879 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)C[C@H](C)CC2 ZINC000017094444 556657662 /nfs/dbraw/zinc/65/76/62/556657662.db2.gz DJIJZVKZOQXTFP-CYBMUJFWSA-N 0 0 425.506 4.797 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000017094790 556657842 /nfs/dbraw/zinc/65/78/42/556657842.db2.gz WXDSEVWXQFSYBS-UHFFFAOYSA-N 0 0 426.428 4.654 50 0 IJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCc1ccc(OC)cc1 ZINC000017095057 556658378 /nfs/dbraw/zinc/65/83/78/556658378.db2.gz UYHXXLVYZVAULY-UHFFFAOYSA-N 0 0 426.563 4.739 50 0 IJAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017095776 556659254 /nfs/dbraw/zinc/65/92/54/556659254.db2.gz QYJYWICXAQERTP-QGZVFWFLSA-N 0 0 428.454 4.975 50 0 IJAARN O=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011835025 556659317 /nfs/dbraw/zinc/65/93/17/556659317.db2.gz BDQLEOUJWMUISB-UHFFFAOYSA-N 0 0 435.427 4.865 50 0 IJAARN Cn1c2c(ccc3ccccc23)s/c1=N/C(=O)c1ccccc1I ZINC000011847353 556660238 /nfs/dbraw/zinc/66/02/38/556660238.db2.gz CSZVHRBKALKOSB-XUTLUUPISA-N 0 0 444.297 4.739 50 0 IJAARN COc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c(OC)c1 ZINC000033012367 556661546 /nfs/dbraw/zinc/66/15/46/556661546.db2.gz QAYPSVZIBYVKNR-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN O=C(Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)C1CCCCC1 ZINC000011855221 556662057 /nfs/dbraw/zinc/66/20/57/556662057.db2.gz MOIFCCSXERWHTD-UHFFFAOYSA-N 0 0 445.548 4.870 50 0 IJAARN Cc1c(Cl)ccc2c(C(=O)NCc3ccc4c(c3)OCO4)cc(-c3ccccn3)nc12 ZINC000017097717 556662320 /nfs/dbraw/zinc/66/23/20/556662320.db2.gz ROABQZIZPUAZBM-UHFFFAOYSA-N 0 0 431.879 4.917 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033013099 556662402 /nfs/dbraw/zinc/66/24/02/556662402.db2.gz LGTRRMWSTZMMSR-UHFFFAOYSA-N 0 0 433.439 4.877 50 0 IJAARN Fc1ccc(N2C(=S)N=NC2COc2ccc(Br)cc2Cl)c(F)c1 ZINC000017098195 556662819 /nfs/dbraw/zinc/66/28/19/556662819.db2.gz ZBUWONUBCUJAMX-UHFFFAOYSA-N 0 0 432.677 4.829 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013451 556664128 /nfs/dbraw/zinc/66/41/28/556664128.db2.gz GORWBOPVYRUGHJ-UHFFFAOYSA-N 0 0 427.526 4.902 50 0 IJAARN Cc1cc(NC(=O)c2cccc(C)c2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000017122692 556668371 /nfs/dbraw/zinc/66/83/71/556668371.db2.gz BSSXZQZCCUPPGK-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(C)c(F)c2)on1 ZINC000011916925 556675403 /nfs/dbraw/zinc/67/54/03/556675403.db2.gz WRUOIFXHEIMETH-UHFFFAOYSA-N 0 0 430.457 4.791 50 0 IJAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2Br)cc1C ZINC000100798966 556675453 /nfs/dbraw/zinc/67/54/53/556675453.db2.gz YIZJHCZFWNJNNB-IBGZPJMESA-N 0 0 436.689 4.668 50 0 IJAARN C=C(C)COc1ccccc1/C=C1/N=C(c2cccc(I)c2)OC1=O ZINC000000651617 556681493 /nfs/dbraw/zinc/68/14/93/556681493.db2.gz UXAKUPODNPKHEI-GZTJUZNOSA-N 0 0 445.256 4.591 50 0 IJAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000018210247 556687116 /nfs/dbraw/zinc/68/71/16/556687116.db2.gz RYHWSKDNIQVBKD-KXBFYZLASA-N 0 0 444.413 4.833 50 0 aggregator IJAARN Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000018210253 556687169 /nfs/dbraw/zinc/68/71/69/556687169.db2.gz RYHWSKDNIQVBKD-HNAYVOBHSA-N 0 0 444.413 4.833 50 0 aggregator IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000018210438 556687210 /nfs/dbraw/zinc/68/72/10/556687210.db2.gz ZBUGVSRIXXTQOJ-KDOFPFPSSA-N 0 0 430.386 4.524 50 0 IJAARN Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C ZINC000018243956 556687889 /nfs/dbraw/zinc/68/78/89/556687889.db2.gz LMEHFKMJWYTNJD-OALUTQOASA-N 0 0 425.912 4.898 50 0 IJAARN CC(C)CCn1c(COc2ccccc2)nnc1SCc1ccc(-n2ccnc2)nc1 ZINC000072312943 556687909 /nfs/dbraw/zinc/68/79/09/556687909.db2.gz KIEKAFQHZAQLPU-UHFFFAOYSA-N 0 0 434.569 4.776 50 0 IJAARN CCc1ccc(NCN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 ZINC000000969274 556690015 /nfs/dbraw/zinc/69/00/15/556690015.db2.gz MOFUQWUEAAXKEU-UNOMPAQXSA-N 0 0 444.578 4.546 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000046141447 556692947 /nfs/dbraw/zinc/69/29/47/556692947.db2.gz PQQRXNYLNQHTDZ-GFCCVEGCSA-N 0 0 437.974 4.990 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccccc1F ZINC000046141499 556692980 /nfs/dbraw/zinc/69/29/80/556692980.db2.gz DCZJUZDQUPHPFN-UHFFFAOYSA-N 0 0 433.461 4.853 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)NC(C)C)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776339 556695064 /nfs/dbraw/zinc/69/50/64/556695064.db2.gz QZIYNYIYZDLPBX-DQEYMECFSA-N 0 0 444.531 4.714 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033025205 556699354 /nfs/dbraw/zinc/69/93/54/556699354.db2.gz SMJDARGHFSBFIJ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583346 556699723 /nfs/dbraw/zinc/69/97/23/556699723.db2.gz UYMOLFDKUDQZDS-UHFFFAOYSA-N 0 0 448.878 4.622 50 0 IJAARN Cc1ccc2nc(CSc3ccccc3NC(=O)/C=C/c3ccccc3)cc(=O)n2c1 ZINC000033025940 556702012 /nfs/dbraw/zinc/70/20/12/556702012.db2.gz ADWQIQCWDQJRNB-WYMLVPIESA-N 0 0 427.529 4.947 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000138429098 556702296 /nfs/dbraw/zinc/70/22/96/556702296.db2.gz GNQZNWLVJIDMTL-PWRODBHTSA-N 0 0 449.304 4.500 50 0 IJAARN CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc21 ZINC000013610319 556702529 /nfs/dbraw/zinc/70/25/29/556702529.db2.gz JGBXOIKJJHNQFZ-UHFFFAOYSA-N 0 0 438.574 4.802 50 0 IJAARN COc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2cccc(C)c2n1 ZINC000033026090 556702627 /nfs/dbraw/zinc/70/26/27/556702627.db2.gz BDBSWUKUFFTXBM-UHFFFAOYSA-N 0 0 431.517 4.556 50 0 IJAARN COc1ccc(-c2coc3c(ccc4c3CN(CCc3cccs3)CO4)c2=O)cc1OC ZINC000013655999 556707369 /nfs/dbraw/zinc/70/73/69/556707369.db2.gz JQMSQTXWUYNTIX-UHFFFAOYSA-N 0 0 449.528 4.933 50 0 biogenic IJAARN COc1ccccc1CNC(=O)c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033035011 556718010 /nfs/dbraw/zinc/71/80/10/556718010.db2.gz IASWKXZIHAOXQM-DEOSSOPVSA-N 0 0 428.532 4.645 50 0 biogenic IJAARN CCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(C)cc1 ZINC000033036190 556718621 /nfs/dbraw/zinc/71/86/21/556718621.db2.gz DIMCMADXIQCAFO-UHFFFAOYSA-N 0 0 431.359 4.897 50 0 IJAARN CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)cc3)cnc3ccc(OCC)cc32)CC1 ZINC000036102750 556719922 /nfs/dbraw/zinc/71/99/22/556719922.db2.gz AAKCNVVKYIKUMS-UHFFFAOYSA-N 0 0 446.547 4.952 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCCC2 ZINC000072324826 556722455 /nfs/dbraw/zinc/72/24/55/556722455.db2.gz ABDZCHRPHSMXTE-HSZRJFAPSA-N 0 0 431.536 4.695 50 0 biogenic IJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)cc1 ZINC000072328298 556724916 /nfs/dbraw/zinc/72/49/16/556724916.db2.gz CFQXZNQASLKYNV-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCSCC1 ZINC000072328507 556725961 /nfs/dbraw/zinc/72/59/61/556725961.db2.gz PHUINYFUEFOWRP-UHFFFAOYSA-N 0 0 433.911 4.968 50 0 IJAARN O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000078648458 556735051 /nfs/dbraw/zinc/73/50/51/556735051.db2.gz USYNCXNIDHWLLX-LSDHHAIUSA-N 0 0 438.247 4.536 50 0 IJAARN CN(Cc1cccc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)c1)C(=O)OC(C)(C)C ZINC000078995518 556736954 /nfs/dbraw/zinc/73/69/54/556736954.db2.gz WNZUGXAGMVBXSQ-UHFFFAOYSA-N 0 0 435.528 4.783 50 0 IJAARN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183191 556737134 /nfs/dbraw/zinc/73/71/34/556737134.db2.gz SCTBNSAPSCMRSO-VWLOTQADSA-N 0 0 443.522 4.887 50 0 IJAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1c[nH]nc1-c1ccc(F)cc1)CCO2 ZINC000055183192 556737300 /nfs/dbraw/zinc/73/73/00/556737300.db2.gz SCTBNSAPSCMRSO-RUZDIDTESA-N 0 0 443.522 4.887 50 0 IJAARN CN(Cc1nccs1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000055282021 556739768 /nfs/dbraw/zinc/73/97/68/556739768.db2.gz XZOQRDMWXRYIBD-IBGZPJMESA-N 0 0 441.622 4.768 50 0 IJAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055369357 556740641 /nfs/dbraw/zinc/74/06/41/556740641.db2.gz XHQSAEPCKJDXJH-FQEVSTJZSA-N 0 0 443.469 4.950 50 0 IJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218750 556741314 /nfs/dbraw/zinc/74/13/14/556741314.db2.gz IHCWICSXMPBRIK-ZTCOLXNVSA-N 0 0 428.960 4.655 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)N(CCCn1ccnc1)Cc1c(F)cccc1Cl ZINC000058008114 556752782 /nfs/dbraw/zinc/75/27/82/556752782.db2.gz SNUTXFXWOVZSMU-UHFFFAOYSA-N 0 0 430.867 4.529 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(c4ccccc4OC)CC3)ccc21 ZINC000058123632 556759492 /nfs/dbraw/zinc/75/94/92/556759492.db2.gz BYAHQHDKIOCYGS-UHFFFAOYSA-N 0 0 442.563 4.584 50 0 IJAARN O=C(CCOc1ccc(Cl)cc1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000058143435 556761463 /nfs/dbraw/zinc/76/14/63/556761463.db2.gz DOPSWNOMPDKZIV-UHFFFAOYSA-N 0 0 436.339 4.529 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ncccc2c1)c1ccccc1 ZINC000058159691 556764060 /nfs/dbraw/zinc/76/40/60/556764060.db2.gz NAVCJCFGBMBIHF-SFHVURJKSA-N 0 0 425.488 4.743 50 0 IJAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCC1=CCCCC1)C(=O)OC2 ZINC000062001585 556764395 /nfs/dbraw/zinc/76/43/95/556764395.db2.gz XHJKFNVRLNOUPN-CXUHLZMHSA-N 0 0 427.541 4.655 50 0 biogenic IJAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NCCC1=CCCCC1)COC2=O ZINC000062001734 556764539 /nfs/dbraw/zinc/76/45/39/556764539.db2.gz DRFUJDSELNYWMW-LICLKQGHSA-N 0 0 441.568 4.958 50 0 biogenic IJAARN CCOc1cc2c(c3[nH]c(C(=O)N[C@H](C)c4ccc(NC(=O)C5CC5)cc4)cc31)O[C@@H](C)C2 ZINC000058161593 556765476 /nfs/dbraw/zinc/76/54/76/556765476.db2.gz LPPPDFHVKCVKES-LSDHHAIUSA-N 0 0 447.535 4.730 50 0 IJAARN CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 ZINC000058171288 556768286 /nfs/dbraw/zinc/76/82/86/556768286.db2.gz JHKYHQJBVMKEPP-NTEUORMPSA-N 0 0 436.458 4.890 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000058268807 556777024 /nfs/dbraw/zinc/77/70/24/556777024.db2.gz BYFWVZMJLNJJRJ-VWLOTQADSA-N 0 0 437.572 4.898 50 0 IJAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1NS(C)(=O)=O ZINC000058406688 556786150 /nfs/dbraw/zinc/78/61/50/556786150.db2.gz DKTLPQIVEPKWLE-UHFFFAOYSA-N 0 0 437.546 4.896 50 0 IJAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000058441268 556789238 /nfs/dbraw/zinc/78/92/38/556789238.db2.gz XVFLWCMZDXGGQK-DHIUTWEWSA-N 0 0 428.504 4.597 50 0 IJAARN CC[C@@H]1CCc2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)sc2C1 ZINC000059318397 556797725 /nfs/dbraw/zinc/79/77/25/556797725.db2.gz OJGIATIHJWSDJZ-GFCCVEGCSA-N 0 0 435.475 4.818 50 0 IJAARN C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 ZINC000002619346 556800262 /nfs/dbraw/zinc/80/02/62/556800262.db2.gz RQTYJAFEAWTCMG-XLIONFOSSA-N 0 0 433.581 4.773 50 0 IJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(OC(F)F)cc1 ZINC000003313850 556809724 /nfs/dbraw/zinc/80/97/24/556809724.db2.gz RWZUMCTVVGPSLN-UHFFFAOYSA-N 0 0 426.445 4.753 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003373140 556812726 /nfs/dbraw/zinc/81/27/26/556812726.db2.gz ZDGKXKGGPUCKDD-UHFFFAOYSA-N 0 0 427.831 4.591 50 0 IJAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003346233 556813251 /nfs/dbraw/zinc/81/32/51/556813251.db2.gz SAZHSGOLFPNEIB-TZIYXEQSSA-N 0 0 444.459 4.995 50 0 IJAARN Cc1cc(OCCCC(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)ccc1Cl ZINC000003457374 556816105 /nfs/dbraw/zinc/81/61/05/556816105.db2.gz HPPMLASCHOSAMW-UHFFFAOYSA-N 0 0 445.730 5.000 50 0 IJAARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N([C@H](C)CC)C2=O)cc1OCC ZINC000096473213 556816476 /nfs/dbraw/zinc/81/64/76/556816476.db2.gz IZVQHLYNZIVTOM-YUSFRKCESA-N 0 0 441.933 4.515 50 0 IJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(OC)cc1OC ZINC000034262962 556816840 /nfs/dbraw/zinc/81/68/40/556816840.db2.gz PRLICLKVJOQTML-DSBYRVASSA-N 0 0 439.552 4.611 50 0 biogenic IJAARN Cc1cc(C)c(NC(=O)CCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c(C)c1 ZINC000033061441 556818314 /nfs/dbraw/zinc/81/83/14/556818314.db2.gz UWUCWQCIAAQJRY-UHFFFAOYSA-N 0 0 428.945 4.940 50 0 IJAARN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)[C@@H]1C ZINC000005493691 556818607 /nfs/dbraw/zinc/81/86/07/556818607.db2.gz HTHXJFYEDCSYAT-PJIJBLCYSA-N 0 0 438.952 4.834 50 0 IJAARN Cc1ccc(C)c2c(=O)cc(CSc3nnc(COc4ccc(Cl)cc4)n3C)[nH]c12 ZINC000033067700 556819600 /nfs/dbraw/zinc/81/96/00/556819600.db2.gz UZRAGRIEOREMJP-UHFFFAOYSA-N 0 0 440.956 4.798 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000072403164 556821261 /nfs/dbraw/zinc/82/12/61/556821261.db2.gz XSKSYXASDZKBLZ-UHFFFAOYSA-N 0 0 430.335 4.518 50 0 IJAARN CCOC(=O)c1sc2cccc(F)c2c1CNc1cc(OC)c(OC)cc1C(=O)OC ZINC000014700598 556827088 /nfs/dbraw/zinc/82/70/88/556827088.db2.gz JSPXZBNXWBGPCO-UHFFFAOYSA-N 0 0 447.484 4.633 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C\c1ccc3c(c1)OCO3)CC2 ZINC000096544652 556829178 /nfs/dbraw/zinc/82/91/78/556829178.db2.gz XFXKLIGKHAVBTJ-YLYQOIPRSA-N 0 0 443.499 4.620 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C(C)C)cc4)cc32)c1 ZINC000065002998 556831211 /nfs/dbraw/zinc/83/12/11/556831211.db2.gz PTJXOIMUAPSJNS-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004892 556831925 /nfs/dbraw/zinc/83/19/25/556831925.db2.gz YHTVYAQQFFFRFA-UHFFFAOYSA-N 0 0 432.567 4.938 50 0 IJAARN O=c1cc(CN(Cc2ccccc2)Cc2ccc(F)cc2)nc2sc3c(n21)CCCC3 ZINC000033068910 556833764 /nfs/dbraw/zinc/83/37/64/556833764.db2.gz GIRHDQXQFOJMNJ-UHFFFAOYSA-N 0 0 433.552 4.976 50 0 IJAARN CCCC[C@@H](CC)Cn1c(SCCS(C)(=O)=O)nnc1-c1ccc(Cl)cc1 ZINC000062582255 556838146 /nfs/dbraw/zinc/83/81/46/556838146.db2.gz XDIXHELWIZDESE-OAHLLOKOSA-N 0 0 430.039 4.952 50 0 IJAARN C[C@@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[nH]c3=S)CCCCC5)csc2C1 ZINC000019644003 556838972 /nfs/dbraw/zinc/83/89/72/556838972.db2.gz PMPIINVQNYEVGJ-LLVKDONJSA-N 0 0 445.635 4.960 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000019645344 556839866 /nfs/dbraw/zinc/83/98/66/556839866.db2.gz RUKHBAVXCOGWKF-UHFFFAOYSA-N 0 0 446.743 4.701 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C4CCCC4)s3)s2)cc1OC ZINC000072405473 556840302 /nfs/dbraw/zinc/84/03/02/556840302.db2.gz HTMAYEFZTMXANZ-UHFFFAOYSA-N 0 0 430.555 4.897 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019648102 556841049 /nfs/dbraw/zinc/84/10/49/556841049.db2.gz HMUDXFDZQZDAHI-UHFFFAOYSA-N 0 0 448.632 4.981 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000008850984 556850054 /nfs/dbraw/zinc/85/00/54/556850054.db2.gz VEHYVZLUBVJTRC-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1ccc(-c2ccccc2)cc1 ZINC000008924509 556851373 /nfs/dbraw/zinc/85/13/73/556851373.db2.gz VPECAMSSUAZDFT-QGZVFWFLSA-N 0 0 429.549 4.514 50 0 IJAARN CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)ccc21 ZINC000033077342 556854482 /nfs/dbraw/zinc/85/44/82/556854482.db2.gz QGXVPHBECNPLEP-UHFFFAOYSA-N 0 0 432.611 4.571 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1C ZINC000033113477 556860170 /nfs/dbraw/zinc/86/01/70/556860170.db2.gz OVFHGMXAJNJWNU-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1 ZINC000033113759 556860685 /nfs/dbraw/zinc/86/06/85/556860685.db2.gz RJTSVVJGSWOSGM-UHFFFAOYSA-N 0 0 431.517 4.969 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2cccc(OC)c2)cc1 ZINC000033122081 556862992 /nfs/dbraw/zinc/86/29/92/556862992.db2.gz CCVRGHKDJQELNT-UHFFFAOYSA-N 0 0 447.564 4.726 50 0 IJAARN CCCOc1c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2sc1C(=O)OC ZINC000033123447 556863988 /nfs/dbraw/zinc/86/39/88/556863988.db2.gz FSYPABBZVPTEGU-UHFFFAOYSA-N 0 0 429.494 4.746 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128144 556865030 /nfs/dbraw/zinc/86/50/30/556865030.db2.gz GCUCVEQGANJFIA-OAHLLOKOSA-N 0 0 441.940 4.516 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2=O)cc1C ZINC000033128051 556865091 /nfs/dbraw/zinc/86/50/91/556865091.db2.gz BPIOPNOXHNPDJQ-HNNXBMFYSA-N 0 0 447.482 4.987 50 0 IJAARN CSc1cccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128107 556865096 /nfs/dbraw/zinc/86/50/96/556865096.db2.gz VRLKCGVUKBZQKA-INIZCTEOSA-N 0 0 425.579 4.691 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 ZINC000033128181 556865296 /nfs/dbraw/zinc/86/52/96/556865296.db2.gz FGBZPJRLKCSANG-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)c(Cl)c2)n1 ZINC000033128216 556865321 /nfs/dbraw/zinc/86/53/21/556865321.db2.gz DMSCNYZEECYIGC-OAHLLOKOSA-N 0 0 443.956 4.631 50 0 IJAARN COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128685 556865747 /nfs/dbraw/zinc/86/57/47/556865747.db2.gz KETYOVGOLSUFRH-UHFFFAOYSA-N 0 0 429.476 4.629 50 0 IJAARN COC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)NC3CCCCC3)cc21 ZINC000033129215 556868337 /nfs/dbraw/zinc/86/83/37/556868337.db2.gz YTQUIYBGZXTNJV-UHFFFAOYSA-N 0 0 433.508 4.908 50 0 IJAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4cccc(OC)c4)c3)n2)cc1 ZINC000033130511 556870598 /nfs/dbraw/zinc/87/05/98/556870598.db2.gz KPTOKXWSINCIOT-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(Oc4cccc(OC)c4)nn3)c2)cc1 ZINC000033131064 556871396 /nfs/dbraw/zinc/87/13/96/556871396.db2.gz HXVNVOZEVRYJGZ-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168692 556880892 /nfs/dbraw/zinc/88/08/92/556880892.db2.gz XJOYDQUPQBAPQD-OAQYLSRUSA-N 0 0 432.593 4.777 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)cc3Cl)c2cc1OC ZINC000033172762 556883091 /nfs/dbraw/zinc/88/30/91/556883091.db2.gz ILOOFCXJQBHXIB-UHFFFAOYSA-N 0 0 442.928 4.821 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1-c1cc(C(F)(F)F)on1 ZINC000033173903 556884026 /nfs/dbraw/zinc/88/40/26/556884026.db2.gz AYVZIEXTEXNGSA-UHFFFAOYSA-N 0 0 442.484 4.786 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)cc1Cl ZINC000033174133 556884255 /nfs/dbraw/zinc/88/42/55/556884255.db2.gz DBQXHQBACJLBEJ-ZDUSSCGKSA-N 0 0 431.945 4.822 50 0 IJAARN Cc1ccccc1S(=O)(=O)c1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc21 ZINC000033249437 556889284 /nfs/dbraw/zinc/88/92/84/556889284.db2.gz UNOSHTCIJNZFTE-UHFFFAOYSA-N 0 0 428.941 4.656 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccccc2)CC1 ZINC000033252433 556893254 /nfs/dbraw/zinc/89/32/54/556893254.db2.gz PKPIOEXZMNRUFW-UHFFFAOYSA-N 0 0 442.494 4.501 50 0 IJAARN C[C@@H](Cc1ccco1)NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255177 556894825 /nfs/dbraw/zinc/89/48/25/556894825.db2.gz TYNSBXZFHWZOFA-SFHVURJKSA-N 0 0 443.503 4.541 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccccc1Sc1cc(CC)nc2nc(C)nn21 ZINC000033257088 556895618 /nfs/dbraw/zinc/89/56/18/556895618.db2.gz IJJDKFUSTVJDFN-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000033263725 556919508 /nfs/dbraw/zinc/91/95/08/556919508.db2.gz ICWYGUSRWDVPMY-UHFFFAOYSA-N 0 0 449.942 4.814 50 0 IJAARN COc1ccc([C@H](O)CN2CCc3c(nc(Cc4ccccc4)n3-c3ccccc3)C2)cc1 ZINC000019825163 556925952 /nfs/dbraw/zinc/92/59/52/556925952.db2.gz REKDRJILYCFJTR-HHHXNRCGSA-N 0 0 439.559 4.563 50 0 IJAARN CC(C)Oc1cccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c1 ZINC000019826839 556925986 /nfs/dbraw/zinc/92/59/86/556925986.db2.gz BMRCVSRACUQRNA-UHFFFAOYSA-N 0 0 429.343 4.853 50 0 IJAARN O=C(c1nc2sccn2c1CN1CC[C@@H](c2ccccc2Cl)C1)N1CCCCC1 ZINC000019838625 556928701 /nfs/dbraw/zinc/92/87/01/556928701.db2.gz SBRZOABCDOZADF-MRXNPFEDSA-N 0 0 428.989 4.665 50 0 IJAARN COc1cc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000019841012 556929388 /nfs/dbraw/zinc/92/93/88/556929388.db2.gz VXGJTMYACOZJHX-UHFFFAOYSA-N 0 0 447.604 4.808 50 0 aggregator IJAARN COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCOCC2)cc1 ZINC000019897892 556940978 /nfs/dbraw/zinc/94/09/78/556940978.db2.gz LUVKRAZTUPEIKQ-NRFANRHFSA-N 0 0 442.943 4.515 50 0 IJAARN COc1ccc(OC)c(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019907620 556942667 /nfs/dbraw/zinc/94/26/67/556942667.db2.gz AHDJOAKBGLNAJX-UHFFFAOYSA-N 0 0 447.604 4.808 50 0 IJAARN CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911095 556943099 /nfs/dbraw/zinc/94/30/99/556943099.db2.gz RCHLTFFPAYIHIE-UHFFFAOYSA-N 0 0 426.345 4.702 50 0 IJAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1Cl)O[C@@H](C)C2 ZINC000011233331 556979052 /nfs/dbraw/zinc/97/90/52/556979052.db2.gz VXXVRVDCUZYLGV-NSHDSACASA-N 0 0 440.721 4.842 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267700 556982175 /nfs/dbraw/zinc/98/21/75/556982175.db2.gz ICJUQWRFVVNMIG-HXUWFJFHSA-N 0 0 428.492 4.693 50 0 IJAARN CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000043732553 556982378 /nfs/dbraw/zinc/98/23/78/556982378.db2.gz CPAFIJLYVCPFFV-LQNXUBFPSA-N 0 0 440.927 4.916 50 0 IJAARN CC(=O)Nc1cccc(O[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c1 ZINC000097960017 556986086 /nfs/dbraw/zinc/98/60/86/556986086.db2.gz RCQHHSGMHVALAO-MRXNPFEDSA-N 0 0 436.122 4.804 50 0 IJAARN O=C(c1cc(-c2ccccc2O)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020137678 556988754 /nfs/dbraw/zinc/98/87/54/556988754.db2.gz LKHRWYIYRTZKGL-UHFFFAOYSA-N 0 0 439.515 4.595 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000097111214 556990063 /nfs/dbraw/zinc/99/00/63/556990063.db2.gz DSBCAVQWOQYHBC-DSITVLBTSA-N 0 0 446.522 4.723 50 0 IJAARN COc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1Cl ZINC000097124273 556991008 /nfs/dbraw/zinc/99/10/08/556991008.db2.gz VJYWOAWAINRQJR-OAHLLOKOSA-N 0 0 437.887 4.832 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(Br)ccc1O ZINC000097163197 556994217 /nfs/dbraw/zinc/99/42/17/556994217.db2.gz PKHMGYUAOQMMRL-UHFFFAOYSA-N 0 0 434.315 4.699 50 0 IJAARN CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097164686 556994614 /nfs/dbraw/zinc/99/46/14/556994614.db2.gz POPRSSXUIMKIPQ-VXKWHMMOSA-N 0 0 446.954 4.807 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994333 557003202 /nfs/dbraw/zinc/00/32/02/557003202.db2.gz ZWLAUTATJLTRAB-QGOAFFKASA-N 0 0 425.370 4.589 50 0 IJAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)ccc3OC)nc21 ZINC000023108286 557003521 /nfs/dbraw/zinc/00/35/21/557003521.db2.gz MWLBPKNIRGEVRN-CQSZACIVSA-N 0 0 432.929 4.793 50 0 IJAARN CC(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020266218 557004825 /nfs/dbraw/zinc/00/48/25/557004825.db2.gz SCZNSBZJOCRNSF-UHFFFAOYSA-N 0 0 429.589 4.993 50 0 IJAARN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000023119196 557007152 /nfs/dbraw/zinc/00/71/52/557007152.db2.gz AXUXFUSVCZJVOG-QFIPXVFZSA-N 0 0 449.528 4.643 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000020347244 557008670 /nfs/dbraw/zinc/00/86/70/557008670.db2.gz NSBWLFGCEBQUNI-UHFFFAOYSA-N 0 0 439.559 4.583 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020344864 557008679 /nfs/dbraw/zinc/00/86/79/557008679.db2.gz JCXNGFCIZIVPRG-UHFFFAOYSA-N 0 0 449.576 4.782 50 0 IJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCOC45CC6CC(CC(C6)C4)C5)sc3c2c1 ZINC000020356869 557010859 /nfs/dbraw/zinc/01/08/59/557010859.db2.gz JDPBEHYYPZKGPF-UHFFFAOYSA-N 0 0 436.577 4.766 50 0 IJAARN Cc1ccccc1OCC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020418970 557015144 /nfs/dbraw/zinc/01/51/44/557015144.db2.gz WTXOPWBQEJNQGI-QFIPXVFZSA-N 0 0 433.895 4.983 50 0 IJAARN CCOc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000045990827 557016683 /nfs/dbraw/zinc/01/66/83/557016683.db2.gz AIPRGYQLFIGEDF-UHFFFAOYSA-N 0 0 430.508 4.762 50 0 IJAARN O=C(Nc1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020438072 557016975 /nfs/dbraw/zinc/01/69/75/557016975.db2.gz SWGHRJHMJUAMDK-UHFFFAOYSA-N 0 0 428.252 4.822 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000045991736 557017334 /nfs/dbraw/zinc/01/73/34/557017334.db2.gz KPOQZFVYBQTYLS-SFHVURJKSA-N 0 0 430.508 4.842 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000046012183 557018411 /nfs/dbraw/zinc/01/84/11/557018411.db2.gz RIQANSNIGJOZTN-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000046012186 557018456 /nfs/dbraw/zinc/01/84/56/557018456.db2.gz QZUSRWUZBDPEMV-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)n2)cc1 ZINC000046018740 557020706 /nfs/dbraw/zinc/02/07/06/557020706.db2.gz CKMOINMCZDLIGI-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000046053574 557026502 /nfs/dbraw/zinc/02/65/02/557026502.db2.gz FZGUGLMZZVKWMC-QGZVFWFLSA-N 0 0 441.959 4.603 50 0 IJAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000046046824 557028092 /nfs/dbraw/zinc/02/80/92/557028092.db2.gz ZYOSXCXAOHZJKJ-UHFFFAOYSA-N 0 0 443.595 4.678 50 0 IJAARN COc1ccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)Oc2ccccc2NC3=O)cc1 ZINC000046077514 557033225 /nfs/dbraw/zinc/03/32/25/557033225.db2.gz VMBMQHRCZRZMLA-UHFFFAOYSA-N 0 0 444.896 4.532 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1)N1CCc2ccccc2C1 ZINC000046079607 557034725 /nfs/dbraw/zinc/03/47/25/557034725.db2.gz AYJYPHBMAHADHM-UHFFFAOYSA-N 0 0 443.522 4.857 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(Br)o1 ZINC000017178253 557037754 /nfs/dbraw/zinc/03/77/54/557037754.db2.gz XGRPLXZWOXCZHE-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN C[C@H](Cc1ccco1)NC(=O)[C@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125121 557037799 /nfs/dbraw/zinc/03/77/99/557037799.db2.gz GVUFGOHHVBVDBT-HZPDHXFCSA-N 0 0 441.959 4.650 50 0 IJAARN C[C@@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181375 557045454 /nfs/dbraw/zinc/04/54/54/557045454.db2.gz IENLYVGTSNQQPQ-JPYJTQIMSA-N 0 0 439.556 4.928 50 0 IJAARN O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc1nccs1 ZINC000033270743 557047749 /nfs/dbraw/zinc/04/77/49/557047749.db2.gz UTXCZIVPVBEKOY-UHFFFAOYSA-N 0 0 429.552 4.513 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1nc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 ZINC000033271829 557050054 /nfs/dbraw/zinc/05/00/54/557050054.db2.gz YTXYWONONJLJAU-UHFFFAOYSA-N 0 0 441.413 4.688 50 0 IJAARN O=C(Nc1ccccc1Cl)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271761 557050114 /nfs/dbraw/zinc/05/01/14/557050114.db2.gz IQPFJBSDANOQSN-UHFFFAOYSA-N 0 0 435.768 4.855 50 0 IJAARN Cc1ccc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)sc2c1 ZINC000004732626 557050429 /nfs/dbraw/zinc/05/04/29/557050429.db2.gz PGGBHCWMRIVRLD-UHFFFAOYSA-N 0 0 429.548 4.719 50 0 aggregator IJAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCC2=CCCCC2)c2ccccc21 ZINC000004734586 557051832 /nfs/dbraw/zinc/05/18/32/557051832.db2.gz VVZIAJNDFRHRJC-SANMLTNESA-N 0 0 427.548 4.730 50 0 IJAARN CC[C@@H](NC(=O)Nc1ccnn1CC(C)C)c1noc(-c2cccc(Br)c2)n1 ZINC000072277756 557053154 /nfs/dbraw/zinc/05/31/54/557053154.db2.gz ZAFDNBRDQBVYEE-OAHLLOKOSA-N 0 0 447.337 4.624 50 0 IJAARN COCCn1c(=O)c2c(nc1SCc1ccc(Cl)cc1)c(-c1ccccc1)cn2C ZINC000033273993 557053244 /nfs/dbraw/zinc/05/32/44/557053244.db2.gz JXWUWBWABSUEGM-UHFFFAOYSA-N 0 0 439.968 4.994 50 0 IJAARN COc1cccc(NC(=O)c2cn(-c3cc(-c4noc(C5CC5)n4)ccc3C)nc2C)c1 ZINC000033275307 557053902 /nfs/dbraw/zinc/05/39/02/557053902.db2.gz SUGWZZSZEWSJSR-UHFFFAOYSA-N 0 0 429.480 4.677 50 0 IJAARN Cc1ccc(O)c(C(=O)N2CCC(C(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)c1 ZINC000048275424 557056065 /nfs/dbraw/zinc/05/60/65/557056065.db2.gz VSRTWDKBBXWPMF-UHFFFAOYSA-N 0 0 429.520 4.935 50 0 IJAARN COc1cc(C(=O)O[C@H](Cn2cncn2)c2ccc(Cl)cc2)ccc1OC1CCCC1 ZINC000048309362 557059891 /nfs/dbraw/zinc/05/98/91/557059891.db2.gz HWAYRWPDDJYLEB-JOCHJYFZSA-N 0 0 441.915 4.860 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000048309327 557059978 /nfs/dbraw/zinc/05/99/78/557059978.db2.gz ZUVAXDUREOXRQJ-RTWAWAEBSA-N 0 0 447.604 4.841 50 0 IJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)C1 ZINC000023074779 557061736 /nfs/dbraw/zinc/06/17/36/557061736.db2.gz KEVQDHVNMIASAB-OAHLLOKOSA-N 0 0 440.594 4.941 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccc(F)cc1 ZINC000023076509 557062114 /nfs/dbraw/zinc/06/21/14/557062114.db2.gz AFZVQZJCFVIXPI-OAHLLOKOSA-N 0 0 447.557 4.904 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000023119121 557064829 /nfs/dbraw/zinc/06/48/29/557064829.db2.gz ZCMDKRKBEUABRK-UHFFFAOYSA-N 0 0 438.940 4.796 50 0 IJAARN COc1cc(OC)c(C(=O)OCc2nc3cc(C(F)(F)F)ccc3s2)cc1OC ZINC000048325351 557066280 /nfs/dbraw/zinc/06/62/80/557066280.db2.gz XLRDNCJNFRJUOB-UHFFFAOYSA-N 0 0 427.400 4.698 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288940 557066516 /nfs/dbraw/zinc/06/65/16/557066516.db2.gz SBKJCRIKTJXHIV-UHFFFAOYSA-N 0 0 439.562 4.844 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)c1 ZINC000033289806 557071228 /nfs/dbraw/zinc/07/12/28/557071228.db2.gz CNIFJJUETLOFIH-KRWDZBQOSA-N 0 0 438.915 4.758 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)cc4C)C3)n2)c1 ZINC000033289840 557071582 /nfs/dbraw/zinc/07/15/82/557071582.db2.gz GPGZBSMTMJDVRN-IBGZPJMESA-N 0 0 432.524 4.722 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 ZINC000023200340 557072847 /nfs/dbraw/zinc/07/28/47/557072847.db2.gz JAJCASPQYJBWTD-UHFFFAOYSA-N 0 0 439.558 4.597 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000033299186 557075665 /nfs/dbraw/zinc/07/56/65/557075665.db2.gz FWKQHLLFUMZTLV-UHFFFAOYSA-N 0 0 443.906 4.698 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccccc3)nsc2c1=O ZINC000033300248 557079097 /nfs/dbraw/zinc/07/90/97/557079097.db2.gz WETYOZNRRSMAOR-UHFFFAOYSA-N 0 0 436.562 4.579 50 0 IJAARN COc1ccc(-c2cc3ncn(CC(=O)N[C@@H](c4ccccc4)C(C)C)c(=O)c3s2)cc1 ZINC000011294752 557080959 /nfs/dbraw/zinc/08/09/59/557080959.db2.gz HAAGBCPMSUMHAU-HSZRJFAPSA-N 0 0 447.560 4.647 50 0 IJAARN COc1cccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc32)c1 ZINC000048989329 557083405 /nfs/dbraw/zinc/08/34/05/557083405.db2.gz LHHQBIWBXSNEOU-MRXNPFEDSA-N 0 0 435.524 4.876 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(=O)OC)cc1 ZINC000049005097 557084306 /nfs/dbraw/zinc/08/43/06/557084306.db2.gz RQDAANAEXJUSSS-LJQANCHMSA-N 0 0 432.524 4.873 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1 ZINC000011323122 557088561 /nfs/dbraw/zinc/08/85/61/557088561.db2.gz ZLGKBSRHMBKDPM-UHFFFAOYSA-N 0 0 431.460 4.535 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C(=O)NC1CCCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760137 557090391 /nfs/dbraw/zinc/09/03/91/557090391.db2.gz YEFNHDWBEHEITJ-VXKWHMMOSA-N 0 0 442.581 4.515 50 0 IJAARN COc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1Cl ZINC000049003601 557091311 /nfs/dbraw/zinc/09/13/11/557091311.db2.gz JFARVALGTQYKHV-UHFFFAOYSA-N 0 0 433.899 4.860 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2cccnc2)c1 ZINC000049003757 557091756 /nfs/dbraw/zinc/09/17/56/557091756.db2.gz JXKWGWWHWYCOCL-UHFFFAOYSA-N 0 0 431.927 4.518 50 0 IJAARN CCN(c1ccsc1C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000049004229 557092507 /nfs/dbraw/zinc/09/25/07/557092507.db2.gz LBLALUCOAAAHTB-UHFFFAOYSA-N 0 0 434.970 4.547 50 0 IJAARN C[C@H](C(=O)Nc1nc2ccc(Cl)cc2s1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000049059712 557093594 /nfs/dbraw/zinc/09/35/94/557093594.db2.gz ULRRLGDMMVAQBZ-LLVKDONJSA-N 0 0 428.876 4.512 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN2C(=O)c2ccccc2C(F)(F)F)cc1)N1CCCC1 ZINC000033310510 557094298 /nfs/dbraw/zinc/09/42/98/557094298.db2.gz UJEFXXFSWZDKJD-SFHVURJKSA-N 0 0 446.469 4.625 50 0 IJAARN C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)N1CCCC1 ZINC000023484338 557094614 /nfs/dbraw/zinc/09/46/14/557094614.db2.gz QPFDNRBSJOMKHE-HOCLYGCPSA-N 0 0 432.659 4.798 50 0 IJAARN CC[C@@H](C(=O)N1CCC[C@H](COc2cccc(C(=O)N3CCCC3)c2)C1)c1ccccc1 ZINC000033311405 557095539 /nfs/dbraw/zinc/09/55/39/557095539.db2.gz KQKMVCNNDSKJNP-SQJMNOBHSA-N 0 0 434.580 4.734 50 0 IJAARN O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000033311725 557095771 /nfs/dbraw/zinc/09/57/71/557095771.db2.gz DUZHJCKLXFXFSO-INIZCTEOSA-N 0 0 446.469 4.529 50 0 IJAARN Cc1ccc(CSc2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cc(=O)[nH]2)cc1 ZINC000033313186 557098217 /nfs/dbraw/zinc/09/82/17/557098217.db2.gz BYDDJAVSNYQWIR-UHFFFAOYSA-N 0 0 447.482 4.661 50 0 IJAARN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccnc1 ZINC000023594897 557100036 /nfs/dbraw/zinc/10/00/36/557100036.db2.gz GIPWLOKHTARAOC-UHFFFAOYSA-N 0 0 431.546 4.799 50 0 IJAARN CCc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405150 557100397 /nfs/dbraw/zinc/10/03/97/557100397.db2.gz KFGKSTBFIOWAOC-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(C)n1 ZINC000033324504 557106393 /nfs/dbraw/zinc/10/63/93/557106393.db2.gz GHFGJEBYVYPWCB-UHFFFAOYSA-N 0 0 439.585 4.792 50 0 IJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3F)n2)cc1 ZINC000033324982 557107039 /nfs/dbraw/zinc/10/70/39/557107039.db2.gz ZMEPPYIISNMVBN-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(F)cc2Cl)=Nc2ccccc2N1 ZINC000049421628 557108439 /nfs/dbraw/zinc/10/84/39/557108439.db2.gz WRWIHHNEYPCZFJ-UHFFFAOYSA-N 0 0 433.892 4.754 50 0 IJAARN O=C(c1ccccc1Br)N1CCC(Oc2nc3c(cccc3F)s2)CC1 ZINC000049432334 557109856 /nfs/dbraw/zinc/10/98/56/557109856.db2.gz WHMAIQHENADYEY-UHFFFAOYSA-N 0 0 435.318 4.882 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccncc4)cs3)cs2)cc1OC ZINC000049544983 557111154 /nfs/dbraw/zinc/11/11/54/557111154.db2.gz HMJBEKVUAFBJOD-UHFFFAOYSA-N 0 0 438.534 4.527 50 0 IJAARN O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000023735261 557111687 /nfs/dbraw/zinc/11/16/87/557111687.db2.gz YEHMAMCHDKYZQR-UHFFFAOYSA-N 0 0 448.617 4.875 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328794 557112144 /nfs/dbraw/zinc/11/21/44/557112144.db2.gz WUYQJUAARQVRRV-UHFFFAOYSA-N 0 0 429.505 4.831 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000033331942 557116697 /nfs/dbraw/zinc/11/66/97/557116697.db2.gz CJUHYCHMKBQYHR-BNJIMDBKSA-N 0 0 433.552 4.965 50 0 IJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004790988 557124781 /nfs/dbraw/zinc/12/47/81/557124781.db2.gz RHRGGDOYPVOCOJ-UHFFFAOYSA-N 0 0 447.491 4.596 50 0 IJAARN CSCC[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2s1 ZINC000023935480 557126274 /nfs/dbraw/zinc/12/62/74/557126274.db2.gz LBAPTWGXEMHSBE-YJBOKZPZSA-N 0 0 443.619 4.710 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCC3=CCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799723 557127124 /nfs/dbraw/zinc/12/71/24/557127124.db2.gz XCSPYCRZVXQNDO-AZGAKELHSA-N 0 0 448.563 4.805 50 0 IJAARN Cc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)o1 ZINC000023955704 557127575 /nfs/dbraw/zinc/12/75/75/557127575.db2.gz IWLXGMNJERNEGH-GDBMZVCRSA-N 0 0 426.586 4.723 50 0 IJAARN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002860505 557133665 /nfs/dbraw/zinc/13/36/65/557133665.db2.gz MAQDUQDFHYBAAF-UHFFFAOYSA-N 0 0 426.851 4.799 50 0 IJAARN CN(C)c1ccc(Sc2nnc(NC(=O)c3cccc(Br)c3)s2)cc1 ZINC000000687934 557135543 /nfs/dbraw/zinc/13/55/43/557135543.db2.gz JGSNDSIWXQGWFU-UHFFFAOYSA-N 0 0 435.372 4.770 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000707416 557140289 /nfs/dbraw/zinc/14/02/89/557140289.db2.gz ZGBTVOSWFFUSNF-DEOSSOPVSA-N 0 0 444.556 4.759 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000011419699 557142896 /nfs/dbraw/zinc/14/28/96/557142896.db2.gz JANBYXBFPWQALF-NRFANRHFSA-N 0 0 436.383 4.767 50 0 IJAARN COc1ccc(-c2nc(NCc3ccccc3)n(C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000016425680 557151537 /nfs/dbraw/zinc/15/15/37/557151537.db2.gz GXFOYPGYUHJKEX-UHFFFAOYSA-N 0 0 448.910 4.938 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000024578535 557151885 /nfs/dbraw/zinc/15/18/85/557151885.db2.gz OSGPUMYHCIZDGU-OAHLLOKOSA-N 0 0 425.535 4.768 50 0 IJAARN CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nnc1-c1ccco1 ZINC000024579125 557151911 /nfs/dbraw/zinc/15/19/11/557151911.db2.gz JXFOFPKFOWHNHT-OAHLLOKOSA-N 0 0 439.566 4.624 50 0 IJAARN Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000000723594 557152105 /nfs/dbraw/zinc/15/21/05/557152105.db2.gz AJVLRLBJSWQAOT-UHFFFAOYSA-N 0 0 431.060 4.606 50 0 IJAARN O[C@@H](CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000011476333 557152418 /nfs/dbraw/zinc/15/24/18/557152418.db2.gz RGKJHMLUMPZHEY-FQEVSTJZSA-N 0 0 431.517 4.548 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000024610629 557154895 /nfs/dbraw/zinc/15/48/95/557154895.db2.gz ZKTSIMPRJLGMJM-UHFFFAOYSA-N 0 0 449.016 4.863 50 0 IJAARN CCc1cccc(CC)c1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929349 557161956 /nfs/dbraw/zinc/16/19/56/557161956.db2.gz HNILOWHGTIDWBZ-RUZDIDTESA-N 0 0 440.547 4.773 50 0 IJAARN CC(C)c1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000095929342 557162017 /nfs/dbraw/zinc/16/20/17/557162017.db2.gz NEABLBKBGNYBCS-XMMPIXPASA-N 0 0 426.520 4.772 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000024828694 557162468 /nfs/dbraw/zinc/16/24/68/557162468.db2.gz IXSQOXMMUQNYTC-UHFFFAOYSA-N 0 0 428.895 4.790 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)Nc1ccc(CN2C(=O)CCC2=O)cc1 ZINC000024756651 557163278 /nfs/dbraw/zinc/16/32/78/557163278.db2.gz KWOWSFPOKCEKFP-UHFFFAOYSA-N 0 0 448.906 4.674 50 0 IJAARN CCn1c2ccc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2nc(C)c1=O ZINC000024768611 557165533 /nfs/dbraw/zinc/16/55/33/557165533.db2.gz MTUFFATYIWHDCP-NRFANRHFSA-N 0 0 435.574 4.636 50 0 IJAARN O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000084501761 557168151 /nfs/dbraw/zinc/16/81/51/557168151.db2.gz MHURSXDQASKCTF-LLVKDONJSA-N 0 0 432.229 4.508 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000024806536 557168376 /nfs/dbraw/zinc/16/83/76/557168376.db2.gz NUWPCAQVBOKXPA-UHFFFAOYSA-N 0 0 443.385 4.975 50 0 IJAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(I)cc1 ZINC000003159338 557168440 /nfs/dbraw/zinc/16/84/40/557168440.db2.gz NHXBNDKLILXYFY-XCVCLJGOSA-N 0 0 428.067 4.706 50 0 IJAARN O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1cccc(C(F)(F)F)c1 ZINC000206985418 557168590 /nfs/dbraw/zinc/16/85/90/557168590.db2.gz KYERCDMGIKMLRX-UHFFFAOYSA-N 0 0 432.471 4.623 50 0 IJAARN COc1ccccc1-n1c(SC)nc2c(sc(=S)n2CCc2ccccc2)c1=O ZINC000000756683 557170028 /nfs/dbraw/zinc/17/00/28/557170028.db2.gz YFFJHXRUIYSXCC-UHFFFAOYSA-N 0 0 441.603 4.951 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3ccccc3SCc3noc(C)n3)sc2c1 ZINC000024834684 557171557 /nfs/dbraw/zinc/17/15/57/557171557.db2.gz RERGBWKSTWGWSB-UHFFFAOYSA-N 0 0 426.523 4.931 50 0 IJAARN CCc1nnc(CSc2nc3sc(C)c(C)c3c(=O)n2-c2cccc(C)c2C)o1 ZINC000024833855 557171584 /nfs/dbraw/zinc/17/15/84/557171584.db2.gz YCVREJIFLTVAIN-UHFFFAOYSA-N 0 0 426.567 4.919 50 0 IJAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3Cl)cc1)C2=O ZINC000024837254 557172296 /nfs/dbraw/zinc/17/22/96/557172296.db2.gz FZEULLLVYVBRJW-NPMXOYFQSA-N 0 0 441.915 4.572 50 0 IJAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)n1 ZINC000024843028 557173520 /nfs/dbraw/zinc/17/35/20/557173520.db2.gz GWFFZQIJGPEHKS-UHFFFAOYSA-N 0 0 433.537 4.999 50 0 IJAARN COCc1c2ccccc2oc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000024853858 557174267 /nfs/dbraw/zinc/17/42/67/557174267.db2.gz LVZCMQMLNQDDQX-HNNXBMFYSA-N 0 0 425.506 4.654 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000024859566 557174572 /nfs/dbraw/zinc/17/45/72/557174572.db2.gz PMDJTHCMAJLNQR-UHFFFAOYSA-N 0 0 437.805 4.958 50 0 IJAARN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000000780542 557176126 /nfs/dbraw/zinc/17/61/26/557176126.db2.gz RNVWCYNOEWJPIV-AFMDSPMNSA-N 0 0 430.573 4.994 50 0 IJAARN COc1cc(CC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc(OC)c1OC ZINC000024876897 557176258 /nfs/dbraw/zinc/17/62/58/557176258.db2.gz YMEMQPPWWOKVCD-VWLOTQADSA-N 0 0 431.488 4.907 50 0 IJAARN Cc1csc(-c2ccc(NC(=O)NCc3cc4c(c(Br)c3)OCO4)cc2)n1 ZINC000072230606 557176963 /nfs/dbraw/zinc/17/69/63/557176963.db2.gz WESIEHVPEXJORE-UHFFFAOYSA-N 0 0 446.326 4.931 50 0 IJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 ZINC000009265223 557183274 /nfs/dbraw/zinc/18/32/74/557183274.db2.gz ZLJDURIRMBWORL-MRXNPFEDSA-N 0 0 435.578 4.742 50 0 IJAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1cnn(-c2ccccc2)c1 ZINC000024968937 557183440 /nfs/dbraw/zinc/18/34/40/557183440.db2.gz FSBLMJGPVHNEAV-UHFFFAOYSA-N 0 0 442.466 4.874 50 0 IJAARN CC(C)Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000009328573 557187293 /nfs/dbraw/zinc/18/72/93/557187293.db2.gz SUDNDTQPBMICMQ-UHFFFAOYSA-N 0 0 441.000 4.932 50 0 IJAARN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000009328568 557187298 /nfs/dbraw/zinc/18/72/98/557187298.db2.gz SLCLDPOGXWRUBU-UHFFFAOYSA-N 0 0 437.594 4.865 50 0 IJAARN O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000025012075 557189298 /nfs/dbraw/zinc/18/92/98/557189298.db2.gz IXWWKUKMNPQEGI-UHFFFAOYSA-N 0 0 425.423 4.981 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)sc1C ZINC000009583237 557190488 /nfs/dbraw/zinc/19/04/88/557190488.db2.gz JTYCBEDZAXTFIA-CQSZACIVSA-N 0 0 433.578 4.933 50 0 IJAARN Cc1sc2nc(CSc3nnc(Cc4cccs4)n3C3CC3)nc(N)c2c1C ZINC000025050572 557191425 /nfs/dbraw/zinc/19/14/25/557191425.db2.gz MCXRTQMFCFOLJK-UHFFFAOYSA-N 0 0 428.612 4.761 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3O)n2CC(C)C)cc1 ZINC000009615080 557192001 /nfs/dbraw/zinc/19/20/01/557192001.db2.gz UPOXNBZSTJUKJE-UHFFFAOYSA-N 0 0 446.960 4.700 50 0 IJAARN OCCCc1nc2n(n1)[C@@H](c1cccc(Br)c1)CC(c1ccc(Cl)cc1)=N2 ZINC000100869035 557193519 /nfs/dbraw/zinc/19/35/19/557193519.db2.gz BWGNMGOCYBOTSU-GOSISDBHSA-N 0 0 445.748 4.675 50 0 IJAARN OCCCc1nc2n(n1)[C@@H](c1cccc(Cl)c1)CC(c1ccc(Br)cc1)=N2 ZINC000100869026 557193524 /nfs/dbraw/zinc/19/35/24/557193524.db2.gz LGYNJJUYBXYEMY-GOSISDBHSA-N 0 0 445.748 4.675 50 0 IJAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(C(C)(C)C)cc1)n2CCOC ZINC000100872408 557193883 /nfs/dbraw/zinc/19/38/83/557193883.db2.gz VXGXSOFYPDZJMZ-BZZOAKBMSA-N 0 0 440.565 4.565 50 0 IJAARN CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2OCC(C)(C)C1=O ZINC000010972336 557197688 /nfs/dbraw/zinc/19/76/88/557197688.db2.gz RVUDOLQRNBDVOZ-UHFFFAOYSA-N 0 0 437.323 4.782 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096316943 557198766 /nfs/dbraw/zinc/19/87/66/557198766.db2.gz SWXNNHYAKUPFKD-LJQANCHMSA-N 0 0 440.607 4.977 50 0 IJAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Br)O[C@@H](C)C2 ZINC000011571466 557202645 /nfs/dbraw/zinc/20/26/45/557202645.db2.gz ZWYHGKCANFYEKQ-NSHDSACASA-N 0 0 440.721 4.842 50 0 IJAARN CN1c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766162 557211841 /nfs/dbraw/zinc/21/18/41/557211841.db2.gz NATPBPBPWJMHNA-IBGZPJMESA-N 0 0 433.430 4.630 50 0 IJAARN CCOC(=O)c1ccc(NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)nc1 ZINC000025493890 557212163 /nfs/dbraw/zinc/21/21/63/557212163.db2.gz LQARFYAOUZXPIB-UHFFFAOYSA-N 0 0 429.520 4.660 50 0 IJAARN COc1ccccc1N[C@H](NC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000025558859 557214415 /nfs/dbraw/zinc/21/44/15/557214415.db2.gz YDHAFGSOJKKKIM-OAQYLSRUSA-N 0 0 439.309 4.509 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccc(F)cc4)nn32)cc1 ZINC000101023800 557214455 /nfs/dbraw/zinc/21/44/55/557214455.db2.gz AOBWCILHZYRKSW-QFIPXVFZSA-N 0 0 441.466 4.734 50 0 IJAARN O=C(OCc1nc2ccccc2n1C(F)F)C1CCN(c2nc3ccccc3o2)CC1 ZINC000025637868 557220031 /nfs/dbraw/zinc/22/00/31/557220031.db2.gz AMEMNXKZEAPNQN-UHFFFAOYSA-N 0 0 426.423 4.532 50 0 IJAARN O=C(c1cnc(Cl)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025719679 557223243 /nfs/dbraw/zinc/22/32/43/557223243.db2.gz AGDIFHQAJTUPNQ-UHFFFAOYSA-N 0 0 426.347 4.936 50 0 IJAARN COc1ccc(F)cc1C(=O)COC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000010889492 557224664 /nfs/dbraw/zinc/22/46/64/557224664.db2.gz XZCNSGSKERLUME-UHFFFAOYSA-N 0 0 438.411 4.595 50 0 IJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000025783017 557226080 /nfs/dbraw/zinc/22/60/80/557226080.db2.gz DTWIAOWCRRLBAN-QFQXNSOFSA-N 0 0 446.503 4.963 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783775 557226125 /nfs/dbraw/zinc/22/61/25/557226125.db2.gz NUBVZFVZMMLZCC-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(OC)ccc2O[C@H]3c2ccccc2)cc1 ZINC000025783824 557226135 /nfs/dbraw/zinc/22/61/35/557226135.db2.gz MGVISGQXIVLQPB-RPBOFIJWSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(OC)ccc2O[C@H]3c2ccccc2)cc1 ZINC000025783826 557226418 /nfs/dbraw/zinc/22/64/18/557226418.db2.gz MGVISGQXIVLQPB-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCN(C(=O)C2CC2)CC1 ZINC000011520702 557229798 /nfs/dbraw/zinc/22/97/98/557229798.db2.gz RNSJUTGOYMTMMD-UHFFFAOYSA-N 0 0 438.380 4.628 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000025904832 557229973 /nfs/dbraw/zinc/22/99/73/557229973.db2.gz JBBMDXJJWOIJAG-AVRDEDQJSA-N 0 0 436.602 4.836 50 0 IJAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2ncnc3c2cnn3C)cc1 ZINC000011685761 557231913 /nfs/dbraw/zinc/23/19/13/557231913.db2.gz DURDIVRYVGQVOS-UHFFFAOYSA-N 0 0 439.928 4.848 50 0 IJAARN O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072954 557233203 /nfs/dbraw/zinc/23/32/03/557233203.db2.gz YPSKGGUHUWBSIQ-UHFFFAOYSA-N 0 0 428.657 4.600 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000026089630 557233914 /nfs/dbraw/zinc/23/39/14/557233914.db2.gz SOJQTZWQCBPTIW-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(Cl)c1 ZINC000098211499 557235175 /nfs/dbraw/zinc/23/51/75/557235175.db2.gz FLMMQKAUMLMLDF-UHFFFAOYSA-N 0 0 436.855 4.534 50 0 IJAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1Cc2ccccc2O1 ZINC000026130166 557235811 /nfs/dbraw/zinc/23/58/11/557235811.db2.gz ILABQJDLNMZUSS-SFTDATJTSA-N 0 0 437.421 4.791 50 0 IJAARN CSc1nc(C)c(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c(C)n1 ZINC000026364682 557239765 /nfs/dbraw/zinc/23/97/65/557239765.db2.gz IFWKKXTZLGFSLQ-INIZCTEOSA-N 0 0 442.610 4.570 50 0 IJAARN CN1c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000583649103 557240075 /nfs/dbraw/zinc/24/00/75/557240075.db2.gz WXQRXFYQDVZBKI-RUZDIDTESA-N 0 0 441.531 4.920 50 0 IJAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nccc(C(F)(F)F)n2)cs1 ZINC000026480488 557242103 /nfs/dbraw/zinc/24/21/03/557242103.db2.gz HJXYFGNPRYSROY-UHFFFAOYSA-N 0 0 440.472 4.937 50 0 IJAARN O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCN(Cc2cccs2)CC1 ZINC000018147765 557243275 /nfs/dbraw/zinc/24/32/75/557243275.db2.gz RTOXVSGSVGCQGL-UHFFFAOYSA-N 0 0 447.482 4.912 50 0 IJAARN COc1ccc(-c2nc(CC(=O)NCCSCc3ccccc3F)cs2)cc1OC ZINC000018160592 557244304 /nfs/dbraw/zinc/24/43/04/557244304.db2.gz SIFPVOMFLYNOFY-UHFFFAOYSA-N 0 0 446.569 4.559 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000026545093 557244467 /nfs/dbraw/zinc/24/44/67/557244467.db2.gz SOCNFSMYAQQVLS-VXGBXAGGSA-N 0 0 425.287 4.634 50 0 IJAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1Br ZINC000024933721 557244609 /nfs/dbraw/zinc/24/46/09/557244609.db2.gz SBDYUPIHINFMJD-LJQANCHMSA-N 0 0 428.305 4.640 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000026556731 557244900 /nfs/dbraw/zinc/24/49/00/557244900.db2.gz ISIKOWDOXMUMRL-UHFFFAOYSA-N 0 0 442.924 4.557 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000026675920 557246218 /nfs/dbraw/zinc/24/62/18/557246218.db2.gz AKAPPMGKUCZELV-QFIPXVFZSA-N 0 0 429.476 4.507 50 0 IJAARN Cc1noc(C)c1CCC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000026698940 557247146 /nfs/dbraw/zinc/24/71/46/557247146.db2.gz KNEWYAHMMXTRDV-UHFFFAOYSA-N 0 0 432.402 4.873 50 0 IJAARN CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1nc2ccccc2s1 ZINC000026907603 557250844 /nfs/dbraw/zinc/25/08/44/557250844.db2.gz QTRJUQVCIYNMQT-UHFFFAOYSA-N 0 0 440.528 4.971 50 0 IJAARN CCO[P@@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000026962937 557252512 /nfs/dbraw/zinc/25/25/12/557252512.db2.gz MWFYWIUBMVSTSX-DXPJPUQTSA-N 0 0 438.650 4.892 50 0 IJAARN COc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(OC)cc2)cc1 ZINC000027017138 557253898 /nfs/dbraw/zinc/25/38/98/557253898.db2.gz VUVJTTWOOMDZMN-UHFFFAOYSA-N 0 0 438.457 4.523 50 0 IJAARN CCCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000027019045 557254500 /nfs/dbraw/zinc/25/45/00/557254500.db2.gz UYOBNEITKRUJBH-FCQUAONHSA-N 0 0 427.595 4.644 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1C ZINC000027019650 557254540 /nfs/dbraw/zinc/25/45/40/557254540.db2.gz YJTNNOBOHHEDDP-QFIPXVFZSA-N 0 0 447.922 4.953 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OCCCC)c4)c(=O)n3n2)cc1 ZINC000027022612 557255506 /nfs/dbraw/zinc/25/55/06/557255506.db2.gz ZQGAKFWTKJQHJJ-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2cc(-c3ccccc3)no2)cc1 ZINC000027662411 557268903 /nfs/dbraw/zinc/26/89/03/557268903.db2.gz CGYSBPNEMVHKSF-UHFFFAOYSA-N 0 0 428.444 4.846 50 0 IJAARN COc1ccc(OC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000027663835 557269927 /nfs/dbraw/zinc/26/99/27/557269927.db2.gz OSGXHNRZFMIPFS-UHFFFAOYSA-N 0 0 431.311 4.759 50 0 IJAARN Clc1ccccc1[C@@H]1CC(c2ccc(I)cc2)=Nc2ncnn21 ZINC000100716888 557271144 /nfs/dbraw/zinc/27/11/44/557271144.db2.gz IHDYJEZGSWTDDA-INIZCTEOSA-N 0 0 434.668 4.592 50 0 IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000100727324 557271726 /nfs/dbraw/zinc/27/17/26/557271726.db2.gz FBYPVBGLURAFHW-UHFFFAOYSA-N 0 0 436.291 4.834 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2c[nH]c3ccccc32)cc1 ZINC000027746296 557272926 /nfs/dbraw/zinc/27/29/26/557272926.db2.gz BBEIZUQHNGWGRR-JOCHJYFZSA-N 0 0 438.483 4.845 50 0 IJAARN COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1F ZINC000022919380 557273297 /nfs/dbraw/zinc/27/32/97/557273297.db2.gz LIBXAXQQXACVRJ-HXUWFJFHSA-N 0 0 447.554 4.646 50 0 IJAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)Cc1ccccc1 ZINC000027795125 557274975 /nfs/dbraw/zinc/27/49/75/557274975.db2.gz PEIFXRQLPSZQOU-UHFFFAOYSA-N 0 0 438.277 4.991 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(CC(=O)NC3CC3)=CSC2=N1 ZINC000101367897 557277667 /nfs/dbraw/zinc/27/76/67/557277667.db2.gz FEMXQHRMAMKDBS-FQEVSTJZSA-N 0 0 445.972 4.535 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)CC)N2[C@H]1c1ccc(Cl)cc1 ZINC000101391541 557283199 /nfs/dbraw/zinc/28/31/99/557283199.db2.gz LUHUVJPKEOSKHP-XCLFUZPHSA-N 0 0 447.988 4.783 50 0 IJAARN O=C(CS[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O)Nc1ccc2ccccc2c1 ZINC000101211438 557284975 /nfs/dbraw/zinc/28/49/75/557284975.db2.gz UAXNGCRTDXBWSD-HSZRJFAPSA-N 0 0 440.524 4.997 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=Cc1ccc(-c2ccccc2F)s1 ZINC000031300325 557285477 /nfs/dbraw/zinc/28/54/77/557285477.db2.gz CBZAJVGUSWCIIU-WYMLVPIESA-N 0 0 433.508 4.853 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101304541 557287158 /nfs/dbraw/zinc/28/71/58/557287158.db2.gz JDZVQNMSEINRDU-KDURUIRLSA-N 0 0 431.319 4.726 50 0 IJAARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(Br)c1 ZINC000000831013 557289806 /nfs/dbraw/zinc/28/98/06/557289806.db2.gz RIZZLZBCTQWREO-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN COC(=O)CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023323639 557293821 /nfs/dbraw/zinc/29/38/21/557293821.db2.gz SBSDYHCJIZMEIS-UHFFFAOYSA-N 0 0 432.307 4.734 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2C)c1 ZINC000014094086 557302333 /nfs/dbraw/zinc/30/23/33/557302333.db2.gz BNZFBFQYCRFWMO-UHFFFAOYSA-N 0 0 430.533 4.889 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4ccc(F)cc4)c(=O)c23)s1 ZINC000014109343 557303977 /nfs/dbraw/zinc/30/39/77/557303977.db2.gz URYDPOBLRCRNLW-CYBMUJFWSA-N 0 0 427.526 4.511 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccc(Cl)cc3)C(=O)C2)cc1C ZINC000101880435 557304652 /nfs/dbraw/zinc/30/46/52/557304652.db2.gz WTUZSHDJEMXNAM-UHFFFAOYSA-N 0 0 446.938 4.526 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1Cl ZINC000102300837 557316027 /nfs/dbraw/zinc/31/60/27/557316027.db2.gz IAPFRJAASYENPI-UHFFFAOYSA-N 0 0 439.924 4.906 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)[C@H]1C ZINC000102352312 557317719 /nfs/dbraw/zinc/31/77/19/557317719.db2.gz KEGWHFOVNMYEND-VKJFTORMSA-N 0 0 449.020 4.878 50 0 IJAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)c1 ZINC000011667452 557318847 /nfs/dbraw/zinc/31/88/47/557318847.db2.gz HDEDKVHIFVHXQT-UHFFFAOYSA-N 0 0 439.581 4.619 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)[C@H]1C ZINC000102325422 557319040 /nfs/dbraw/zinc/31/90/40/557319040.db2.gz FEZCXRDDVKUDOY-FUHIMQAGSA-N 0 0 437.565 4.699 50 0 IJAARN CCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C[C@@H](C)CC ZINC000033392522 557319758 /nfs/dbraw/zinc/31/97/58/557319758.db2.gz PSHOMLOWHBPXGO-KRWDZBQOSA-N 0 0 444.597 4.599 50 0 IJAARN CCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C[C@H](C)CC ZINC000033392521 557319903 /nfs/dbraw/zinc/31/99/03/557319903.db2.gz PSHOMLOWHBPXGO-QGZVFWFLSA-N 0 0 444.597 4.599 50 0 IJAARN CCOc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072784 557323752 /nfs/dbraw/zinc/32/37/52/557323752.db2.gz MAJOEYYKSGYXHT-UHFFFAOYSA-N 0 0 432.499 4.979 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)NC[C@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267851 557328242 /nfs/dbraw/zinc/32/82/42/557328242.db2.gz DPVNSEYKIZKSRC-NRFANRHFSA-N 0 0 442.519 4.704 50 0 IJAARN Cc1cc(C)cc(-c2nn(CN3CCC[C@H](c4nnc5n4CCCCC5)C3)c(=S)o2)c1 ZINC000014250403 557330117 /nfs/dbraw/zinc/33/01/17/557330117.db2.gz LLWSPYKEBRYEIC-SFHVURJKSA-N 0 0 438.601 4.644 50 0 IJAARN CN1CCc2nc3ccccc3c(C(=O)OCc3csc(Nc4ccccc4)n3)c2C1 ZINC000033410634 557338672 /nfs/dbraw/zinc/33/86/72/557338672.db2.gz KULVDXYBSUAOSX-UHFFFAOYSA-N 0 0 430.533 4.780 50 0 IJAARN Cc1cc2nc(C)c(CCC(=O)OCc3nc(-c4ccc(C(C)C)cc4)no3)c(C)n2n1 ZINC000023329130 557339123 /nfs/dbraw/zinc/33/91/23/557339123.db2.gz RKNJUOCEMZBOJH-UHFFFAOYSA-N 0 0 433.512 4.504 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccc(F)cc3)C(=O)C2)cc1C ZINC000102530148 557341540 /nfs/dbraw/zinc/34/15/40/557341540.db2.gz KDXDUEADYJAATK-UHFFFAOYSA-N 0 0 429.495 4.616 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4C5)c3)n2)o1 ZINC000023336018 557348511 /nfs/dbraw/zinc/34/85/11/557348511.db2.gz BKPQMTIRFRQZLM-NJNPRVFISA-N 0 0 433.556 4.738 50 0 IJAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCOc2ccccc2)cc1 ZINC000023452191 557356076 /nfs/dbraw/zinc/35/60/76/557356076.db2.gz PWHXEUXRANDSLN-UHFFFAOYSA-N 0 0 439.515 4.660 50 0 IJAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(Cl)nc(OC)c4)cc3)n2)c1 ZINC000023453681 557361836 /nfs/dbraw/zinc/36/18/36/557361836.db2.gz WELIGJYOFIUUBE-UHFFFAOYSA-N 0 0 448.910 4.739 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000102663048 557362004 /nfs/dbraw/zinc/36/20/04/557362004.db2.gz VVVMRLYSMZETSR-XPWALMASSA-N 0 0 448.906 4.790 50 0 IJAARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000102667604 557362602 /nfs/dbraw/zinc/36/26/02/557362602.db2.gz DJQZXHBCWNXVGU-QMHKHESXSA-N 0 0 446.507 4.678 50 0 IJAARN COc1cccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)c1 ZINC000102706396 557366515 /nfs/dbraw/zinc/36/65/15/557366515.db2.gz GCMPOJXQRBLRKU-QLBJFCOMSA-N 0 0 442.515 4.672 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000072329338 557366938 /nfs/dbraw/zinc/36/69/38/557366938.db2.gz FDZYKFNLLYXLOG-ZDUSSCGKSA-N 0 0 429.904 4.637 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC[C@@H](Cc4nc(-c5ccccc5C)no4)C3)[nH]c2c1 ZINC000220810421 557367232 /nfs/dbraw/zinc/36/72/32/557367232.db2.gz XJKBAQVEIFMHIP-KRWDZBQOSA-N 0 0 430.508 4.630 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)c2oc3ccccc3c2C)cc1 ZINC000023592971 557367452 /nfs/dbraw/zinc/36/74/52/557367452.db2.gz UZVHFWVLQXLTLI-UHFFFAOYSA-N 0 0 433.460 4.894 50 0 IJAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220929654 557371236 /nfs/dbraw/zinc/37/12/36/557371236.db2.gz XWZBMAXODQVXDK-CYBMUJFWSA-N 0 0 426.523 4.610 50 0 IJAARN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102733557 557372163 /nfs/dbraw/zinc/37/21/63/557372163.db2.gz BPDUHMYHHKIDAT-DNVJHFABSA-N 0 0 432.907 4.954 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000102740916 557375976 /nfs/dbraw/zinc/37/59/76/557375976.db2.gz IMAMIZIOEHBMBJ-CCDWMCETSA-N 0 0 437.499 4.836 50 0 IJAARN FC(F)Oc1ccc(Br)cc1[C@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102763549 557380847 /nfs/dbraw/zinc/38/08/47/557380847.db2.gz JNGPUJMYKQKHRX-GFCCVEGCSA-N 0 0 425.258 4.760 50 0 IJAARN CCc1ccc(C2=Nc3nnnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102763666 557380850 /nfs/dbraw/zinc/38/08/50/557380850.db2.gz MHQKUHYPNSDMQE-INIZCTEOSA-N 0 0 448.271 4.655 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)c2ccc(C)s2)nnc1N1CCCCC1 ZINC000024108469 557396300 /nfs/dbraw/zinc/39/63/00/557396300.db2.gz XRMNVPHDTRVUTL-UHFFFAOYSA-N 0 0 428.583 4.611 50 0 IJAARN O=C(NCCCCc1ccccc1)c1ccc(C(=O)NCCCCc2ccccc2)nc1 ZINC000004893041 557401782 /nfs/dbraw/zinc/40/17/82/557401782.db2.gz BLUKOTSAFJFGPV-UHFFFAOYSA-N 0 0 429.564 4.587 50 0 IJAARN COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000102894437 557405951 /nfs/dbraw/zinc/40/59/51/557405951.db2.gz XWRVZWIVFZCVJE-YZVOILCLSA-N 0 0 438.553 4.832 50 0 IJAARN COc1ccc([C@@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC ZINC000004936991 557411439 /nfs/dbraw/zinc/41/14/39/557411439.db2.gz DFIHDWJBOHEMPH-QDJPGJPLSA-N 0 0 425.554 4.640 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3C)[C@H](c3ccccc3)C2)cc1OC ZINC000408525641 557414236 /nfs/dbraw/zinc/41/42/36/557414236.db2.gz NASWNYJXJOPDDR-NRFANRHFSA-N 0 0 436.533 4.552 50 0 IJAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000103024883 557416608 /nfs/dbraw/zinc/41/66/08/557416608.db2.gz YZEOIRMAFMECAO-ROUUACIJSA-N 0 0 426.900 4.636 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000103051857 557416996 /nfs/dbraw/zinc/41/69/96/557416996.db2.gz QAEKULLGPXRQHZ-CCLHPLFOSA-N 0 0 444.575 4.930 50 0 IJAARN COc1ccc(-c2nnc3c4ccc(Cl)cc4nc(N(C)Cc4ccco4)n23)cc1OC ZINC000103220033 557459319 /nfs/dbraw/zinc/45/93/19/557459319.db2.gz NSXYEUKCTUMKAL-UHFFFAOYSA-N 0 0 449.898 4.845 50 0 IJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Br)cc1 ZINC000003274815 557523737 /nfs/dbraw/zinc/52/37/37/557523737.db2.gz HEXRRXFPIUFUSI-UHFFFAOYSA-N 0 0 428.355 4.716 50 0 IJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C[C@H](C)CC2 ZINC000012064237 557526201 /nfs/dbraw/zinc/52/62/01/557526201.db2.gz NIBOJEBPSXLKDE-OAHLLOKOSA-N 0 0 432.545 4.716 50 0 IJAARN Cc1c2c(n(Cc3ccc(F)cc3F)c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2 ZINC000044854683 557537684 /nfs/dbraw/zinc/53/76/84/557537684.db2.gz BTRJDZWJXCPUNY-UHFFFAOYSA-N 0 0 438.474 4.661 50 0 IJAARN O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000044903962 557540655 /nfs/dbraw/zinc/54/06/55/557540655.db2.gz AZJFQSJOQVITBL-UHFFFAOYSA-N 0 0 445.906 4.781 50 0 IJAARN CC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000108479895 557543016 /nfs/dbraw/zinc/54/30/16/557543016.db2.gz POPRSSXUIMKIPQ-FCHUYYIVSA-N 0 0 446.954 4.807 50 0 IJAARN CCOc1ccc(NC=C2N=C(C(F)(F)F)N(c3nc4ccccc4s3)C2=O)cc1 ZINC000109163107 557545680 /nfs/dbraw/zinc/54/56/80/557545680.db2.gz FIGHNUXADHYJTH-PTNGSMBKSA-N 0 0 432.427 4.956 50 0 IJAARN CC(C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000109130913 557545685 /nfs/dbraw/zinc/54/56/85/557545685.db2.gz AQNXKDMKFHULEQ-IBGZPJMESA-N 0 0 428.330 4.945 50 0 IJAARN CCOc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(C)cc3)c2C)c(C)o1 ZINC000045900431 557546945 /nfs/dbraw/zinc/54/69/45/557546945.db2.gz RATALSGVPZXLDH-UHFFFAOYSA-N 0 0 432.480 4.603 50 0 IJAARN CCCCNC(=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921435 557547616 /nfs/dbraw/zinc/54/76/16/557547616.db2.gz CQYLRBTWDPZSEC-UHFFFAOYSA-N 0 0 449.418 4.523 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000045942092 557551783 /nfs/dbraw/zinc/55/17/83/557551783.db2.gz UXBBZAAZMJGGLF-HSZRJFAPSA-N 0 0 429.472 4.847 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(C)cc2)cc1 ZINC000045942320 557551974 /nfs/dbraw/zinc/55/19/74/557551974.db2.gz HLJLNMYTLSMLDD-XMMPIXPASA-N 0 0 429.472 4.785 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1n[nH]c(=O)c2cc(-c3ccc(C)cc3)nn21 ZINC000045971937 557555504 /nfs/dbraw/zinc/55/55/04/557555504.db2.gz ZCRNPVUPWNDKRK-UHFFFAOYSA-N 0 0 443.532 4.957 50 0 IJAARN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000225407714 557719174 /nfs/dbraw/zinc/71/91/74/557719174.db2.gz LTQYAJOUISOBGQ-YPDQXUDRSA-N 0 0 435.474 4.699 50 0 IJAARN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000225407796 557719355 /nfs/dbraw/zinc/71/93/55/557719355.db2.gz LTQYAJOUISOBGQ-HJACJPOJSA-N 0 0 435.474 4.699 50 0 IJAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC000225541209 557739058 /nfs/dbraw/zinc/73/90/58/557739058.db2.gz QUPWQYGTSNDMMJ-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c(C)n1[C@H](C)c1ccccc1 ZINC000225610727 557751283 /nfs/dbraw/zinc/75/12/83/557751283.db2.gz KKBDMYDORLGJBR-CLOONOSVSA-N 0 0 445.563 4.884 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 ZINC000225716064 557767788 /nfs/dbraw/zinc/76/77/88/557767788.db2.gz XBTPPIGTOYUIHT-QHCPKHFHSA-N 0 0 425.488 4.546 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000226830365 557809668 /nfs/dbraw/zinc/80/96/68/557809668.db2.gz YPXKOARMYJJBTQ-UBFVSLLYSA-N 0 0 437.499 4.836 50 0 IJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3cc(-c4ccc(C)cc4)on3)C(C)C)n2)cc1 ZINC000227156465 557812633 /nfs/dbraw/zinc/81/26/33/557812633.db2.gz IOTJZBUTRBYZNG-NRFANRHFSA-N 0 0 432.480 4.836 50 0 IJAARN COc1ccc(-c2noc([C@H](NC(=O)c3cc(-c4ccc(C)cc4)on3)C(C)C)n2)cc1 ZINC000227156471 557812643 /nfs/dbraw/zinc/81/26/43/557812643.db2.gz IOTJZBUTRBYZNG-OAQYLSRUSA-N 0 0 432.480 4.836 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000000866113 557839526 /nfs/dbraw/zinc/83/95/26/557839526.db2.gz QJSKXYLORXNLBU-WBVHZDCISA-N 0 0 436.459 4.544 50 0 IJAARN O=C(CSc1nccc(-c2ccco2)n1)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002793594 557841755 /nfs/dbraw/zinc/84/17/55/557841755.db2.gz VCIROOSDSORQQY-UHFFFAOYSA-N 0 0 443.891 4.505 50 0 IJAARN CC[C@H](c1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)N(C)C ZINC000239667831 557845082 /nfs/dbraw/zinc/84/50/82/557845082.db2.gz BRROHCAMCVLOSP-HIFRSBDPSA-N 0 0 444.454 4.595 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000000882855 557853648 /nfs/dbraw/zinc/85/36/48/557853648.db2.gz XEUAVHFWPVIKQZ-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N(C)Cc3ccccc3)n2)cc1 ZINC000000890627 557859091 /nfs/dbraw/zinc/85/90/91/557859091.db2.gz HXZKIRYBNVKJOP-UHFFFAOYSA-N 0 0 447.482 4.922 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 ZINC000000892212 557860497 /nfs/dbraw/zinc/86/04/97/557860497.db2.gz QSTUOLLGCTZWAJ-UHFFFAOYSA-N 0 0 430.533 4.886 50 0 IJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000025061320 557862155 /nfs/dbraw/zinc/86/21/55/557862155.db2.gz WBSJQWMFRSQNQS-UHFFFAOYSA-N 0 0 440.572 4.962 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC ZINC000000901800 562919526 /nfs/dbraw/zinc/91/95/26/562919526.db2.gz WSLBGCBOEWCZBX-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccc2ccccc21 ZINC000002592824 562928353 /nfs/dbraw/zinc/92/83/53/562928353.db2.gz IHXFFNVEDZMWDR-UHFFFAOYSA-N 0 0 437.495 4.514 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000002626842 562928661 /nfs/dbraw/zinc/92/86/61/562928661.db2.gz VZZHIVBYNGMNNV-KRWDZBQOSA-N 0 0 428.583 4.854 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)Nc2ccccc2OC)c1C ZINC000002928537 562930654 /nfs/dbraw/zinc/93/06/54/562930654.db2.gz PETNCZQETLHZJD-UHFFFAOYSA-N 0 0 436.508 4.686 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002965465 562931264 /nfs/dbraw/zinc/93/12/64/562931264.db2.gz KSKXGTQSAFKPHW-UXHICEINSA-N 0 0 434.565 4.760 50 0 IJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3F)c2)C1 ZINC000003023600 562931722 /nfs/dbraw/zinc/93/17/22/562931722.db2.gz APFVLOSQWQYRQH-STQMWFEESA-N 0 0 442.915 4.537 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)ncn3-c2ccc(C)cc2C)cc1OC ZINC000003025583 562931797 /nfs/dbraw/zinc/93/17/97/562931797.db2.gz RXMHECOAFUNQBJ-UHFFFAOYSA-N 0 0 429.520 4.632 50 0 biogenic IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000003189756 562932676 /nfs/dbraw/zinc/93/26/76/562932676.db2.gz VZZWBMBAXOFQMQ-OAQYLSRUSA-N 0 0 433.943 4.853 50 0 IJAARN Cc1nc2scc(-c3cccs3)c2c(SCC(=O)NC(=O)NCCC(C)C)n1 ZINC000003379797 562935064 /nfs/dbraw/zinc/93/50/64/562935064.db2.gz GAJZCNXDMUSUMU-UHFFFAOYSA-N 0 0 434.612 4.692 50 0 IJAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000003586279 562936588 /nfs/dbraw/zinc/93/65/88/562936588.db2.gz SAUBAERVGWSIRE-UHFFFAOYSA-N 0 0 432.145 4.835 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1 ZINC000006577169 562947469 /nfs/dbraw/zinc/94/74/69/562947469.db2.gz KMDMLBGEGIYWMJ-UHFFFAOYSA-N 0 0 449.555 4.629 50 0 IJAARN Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000006811168 562948404 /nfs/dbraw/zinc/94/84/04/562948404.db2.gz CSZOVAZPFHJARG-UHFFFAOYSA-N 0 0 425.554 4.877 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cncs2)cc1Br ZINC000008583960 562949927 /nfs/dbraw/zinc/94/99/27/562949927.db2.gz LTJRTQLULYHZAK-UHFFFAOYSA-N 0 0 427.327 4.869 50 0 IJAARN CC[C@@H](C(=O)NCc1ccccc1Cl)n1nc(C)c2sc3ccccc3c2c1=O ZINC000008587756 562950469 /nfs/dbraw/zinc/95/04/69/562950469.db2.gz UXNXLDSNWXCNRV-KRWDZBQOSA-N 0 0 425.941 4.841 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)cc1 ZINC000008589232 562951127 /nfs/dbraw/zinc/95/11/27/562951127.db2.gz ZKRRCGAOBXOFHN-GDLZYMKVSA-N 0 0 431.941 4.711 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000008589261 562951158 /nfs/dbraw/zinc/95/11/58/562951158.db2.gz SSGLMKWDTUBSJB-LJAQVGFWSA-N 0 0 431.941 4.711 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000008590368 562951619 /nfs/dbraw/zinc/95/16/19/562951619.db2.gz KPUCNBGROJABCQ-HSZRJFAPSA-N 0 0 426.472 4.953 50 0 IJAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCCC(=O)Nc1ccc(C)c(Cl)c1)nc2C ZINC000008593277 562952621 /nfs/dbraw/zinc/95/26/21/562952621.db2.gz XSUPGHKAVKOULD-UHFFFAOYSA-N 0 0 449.942 4.580 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000008596428 562953770 /nfs/dbraw/zinc/95/37/70/562953770.db2.gz BYEIVLYEKGOYEE-UHFFFAOYSA-N 0 0 437.348 4.893 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)NCCc3ccc(C)cc3)c(C)o2)cc1OC ZINC000008597268 562953985 /nfs/dbraw/zinc/95/39/85/562953985.db2.gz AOVYVGGYXYNAJH-UHFFFAOYSA-N 0 0 440.565 4.568 50 0 IJAARN Cc1oc(-c2ccccc2Cl)nc1C[S@](=O)CC(=O)NCc1ccccc1Cl ZINC000008597626 562954036 /nfs/dbraw/zinc/95/40/36/562954036.db2.gz PXSYIRBLPXVXBL-MUUNZHRXSA-N 0 0 437.348 4.522 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000008601610 562955498 /nfs/dbraw/zinc/95/54/98/562955498.db2.gz IFEZMZXFNUSJBW-UHFFFAOYSA-N 0 0 447.516 4.758 50 0 IJAARN O=C(CSc1ccccc1)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000008602032 562955779 /nfs/dbraw/zinc/95/57/79/562955779.db2.gz HNCXBUUZBLBWLJ-UHFFFAOYSA-N 0 0 436.964 4.951 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000008604098 562956308 /nfs/dbraw/zinc/95/63/08/562956308.db2.gz XHARCDPOBZWXKY-UHFFFAOYSA-N 0 0 427.504 4.978 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccco1)Nc1ccccc1 ZINC000008604915 562956421 /nfs/dbraw/zinc/95/64/21/562956421.db2.gz QUPQQGKLFBNAEM-UHFFFAOYSA-N 0 0 431.473 4.515 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)sc2c1 ZINC000008605096 562956551 /nfs/dbraw/zinc/95/65/51/562956551.db2.gz FVTGJIOOEIUQMP-INIZCTEOSA-N 0 0 429.973 4.881 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2c1 ZINC000008605105 562956572 /nfs/dbraw/zinc/95/65/72/562956572.db2.gz USQBZCOOEVOHCC-KRWDZBQOSA-N 0 0 444.000 4.924 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@@H]2c2ccccc2)cc1 ZINC000008606554 562957019 /nfs/dbraw/zinc/95/70/19/562957019.db2.gz UVGLSPQSYDRUON-VWLOTQADSA-N 0 0 425.488 4.579 50 0 aggregator IJAARN CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)c(C)c1 ZINC000008608917 562957552 /nfs/dbraw/zinc/95/75/52/562957552.db2.gz JEZMNYDCHOHBBD-NRFANRHFSA-N 0 0 447.553 4.539 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1C ZINC000008610101 562958108 /nfs/dbraw/zinc/95/81/08/562958108.db2.gz WILDHXRGZUISAT-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1cc(F)ccc1F ZINC000008611150 562958386 /nfs/dbraw/zinc/95/83/86/562958386.db2.gz CVROOANQPTWQED-UHFFFAOYSA-N 0 0 436.462 4.501 50 0 IJAARN COc1ccccc1CCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000008612872 562959327 /nfs/dbraw/zinc/95/93/27/562959327.db2.gz VMFVPBDNTHCFSO-UHFFFAOYSA-N 0 0 433.504 4.765 50 0 IJAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000008619587 562959945 /nfs/dbraw/zinc/95/99/45/562959945.db2.gz LRMUKVINLMABEV-UHFFFAOYSA-N 0 0 427.573 4.980 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000008673692 562961288 /nfs/dbraw/zinc/96/12/88/562961288.db2.gz FUTBENIYFQFVRM-UHFFFAOYSA-N 0 0 448.479 4.680 50 0 aggregator IJAARN CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008680391 562961575 /nfs/dbraw/zinc/96/15/75/562961575.db2.gz FTFRUAZNRHXYCR-UHFFFAOYSA-N 0 0 433.936 4.817 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008851945 562965143 /nfs/dbraw/zinc/96/51/43/562965143.db2.gz FRZHZBGIOXDZGL-CQSZACIVSA-N 0 0 441.553 4.533 50 0 IJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCc3ccccc3Br)o2)cc1 ZINC000009115814 562967177 /nfs/dbraw/zinc/96/71/77/562967177.db2.gz UYBAKQPCAYZXGK-MHZLTWQESA-N 0 0 446.366 4.729 50 0 IJAARN CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NCC[NH+](C)C)n1 ZINC000009273922 562968741 /nfs/dbraw/zinc/96/87/41/562968741.db2.gz DAHNBKUKXZYRCF-UHFFFAOYSA-N 0 0 425.583 4.684 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000009357373 562969534 /nfs/dbraw/zinc/96/95/34/562969534.db2.gz PHKMKMUYKOELEU-GOSISDBHSA-N 0 0 431.311 4.582 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000009632012 562974418 /nfs/dbraw/zinc/97/44/18/562974418.db2.gz QMPRZWDSUVCETG-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000009789578 562976938 /nfs/dbraw/zinc/97/69/38/562976938.db2.gz PTGIPAZOEGRIGH-UHFFFAOYSA-N 0 0 443.594 4.529 50 0 IJAARN Cc1cc(C)c(-c2csc(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)n2)c(C)c1 ZINC000012936409 562983512 /nfs/dbraw/zinc/98/35/12/562983512.db2.gz AFCCDJXEPSJYQQ-UHFFFAOYSA-N 0 0 432.549 4.933 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000015825021 563018109 /nfs/dbraw/zinc/01/81/09/563018109.db2.gz PULHAZPGEQGVFB-UHFFFAOYSA-N 0 0 436.947 4.845 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 ZINC000015940721 563019407 /nfs/dbraw/zinc/01/94/07/563019407.db2.gz BZCXOAJEGPLZHY-UHFFFAOYSA-N 0 0 444.560 4.928 50 0 IJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016944874 563021162 /nfs/dbraw/zinc/02/11/62/563021162.db2.gz HRKGRDIZZRKIEO-UHFFFAOYSA-N 0 0 437.443 4.639 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4O)CC3)c3ccccc3n2)cc1 ZINC000026526751 563033079 /nfs/dbraw/zinc/03/30/79/563033079.db2.gz DTDQNGJVSRTXHG-UHFFFAOYSA-N 0 0 439.515 4.578 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000025090122 568636051 /nfs/dbraw/zinc/63/60/51/568636051.db2.gz KAJZMTCVVSXJGT-UHFFFAOYSA-N 0 0 437.378 4.587 50 0 IJAARN Cc1ccc(S(=O)(=O)C(=CNc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000937067 568638815 /nfs/dbraw/zinc/63/88/15/568638815.db2.gz LKALPFZXODFRSS-UHFFFAOYSA-N 0 0 441.574 4.770 50 0 IJAARN Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Cl ZINC000000938205 568639207 /nfs/dbraw/zinc/63/92/07/568639207.db2.gz PZMHKJZWPDHORV-UHFFFAOYSA-N 0 0 440.124 4.842 50 0 IJAARN O=C(c1ccc(Cl)nc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000025142228 568639902 /nfs/dbraw/zinc/63/99/02/568639902.db2.gz MNTNBSUZVJFKFC-UHFFFAOYSA-N 0 0 443.938 4.698 50 0 IJAARN COc1cc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc2c1OCO2 ZINC000025146460 568641237 /nfs/dbraw/zinc/64/12/37/568641237.db2.gz UKRHCGKPWSBFNF-UHFFFAOYSA-N 0 0 435.432 4.925 50 0 IJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[nH]c(=O)c21 ZINC000086057016 568642057 /nfs/dbraw/zinc/64/20/57/568642057.db2.gz OPFABTYRDDBAIC-SFHVURJKSA-N 0 0 435.549 4.634 50 0 IJAARN Cc1cc(C)nc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959900 568646471 /nfs/dbraw/zinc/64/64/71/568646471.db2.gz CHJSEISRIUCLIA-UHFFFAOYSA-N 0 0 444.560 4.695 50 0 IJAARN COc1ccc(-c2csc3ncnc(N4CCN(c5ccc(C(C)=O)cc5)CC4)c23)cc1 ZINC000015165052 568731764 /nfs/dbraw/zinc/73/17/64/568731764.db2.gz XDXSQXWXEAZKKO-UHFFFAOYSA-N 0 0 444.560 4.896 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2ccccc2)ccc1-c1cc2ccccc2oc1=O ZINC000001172947 568735510 /nfs/dbraw/zinc/73/55/10/568735510.db2.gz GRPVISGLAODOLP-UHFFFAOYSA-N 0 0 430.485 4.595 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000001171854 568735589 /nfs/dbraw/zinc/73/55/89/568735589.db2.gz NQFSOPIKXBTMND-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000001174134 568735659 /nfs/dbraw/zinc/73/56/59/568735659.db2.gz CEUVXZCGAPCPOV-HNNXBMFYSA-N 0 0 447.874 4.877 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1OC ZINC000005856223 568738187 /nfs/dbraw/zinc/73/81/87/568738187.db2.gz YRWXMLHYUNZUAK-UHFFFAOYSA-N 0 0 425.554 4.772 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1OC ZINC000025618175 568740052 /nfs/dbraw/zinc/74/00/52/568740052.db2.gz XZUKKGHHWXWLAT-IBGZPJMESA-N 0 0 442.462 4.933 50 0 IJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000031587596 568740565 /nfs/dbraw/zinc/74/05/65/568740565.db2.gz KXWWFDBAYTZBJM-GOSISDBHSA-N 0 0 438.453 4.850 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NCCCc1ccccc1 ZINC000003235156 568743363 /nfs/dbraw/zinc/74/33/63/568743363.db2.gz UGZAOAPDOVBYSR-UHFFFAOYSA-N 0 0 446.551 4.915 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)cc12 ZINC000003270448 568744634 /nfs/dbraw/zinc/74/46/34/568744634.db2.gz KXMVIMDYMADCAO-UHFFFAOYSA-N 0 0 433.533 4.994 50 0 IJAARN Cc1ccc(SCCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003269133 568744676 /nfs/dbraw/zinc/74/46/76/568744676.db2.gz ZERMTQNJUKWXQZ-UHFFFAOYSA-N 0 0 432.851 4.726 50 0 IJAARN COc1cc(CCC(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000003306072 568745775 /nfs/dbraw/zinc/74/57/75/568745775.db2.gz IVHQRRBJCYAZDC-AWEZNQCLSA-N 0 0 448.972 4.823 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nnc2-c2cccnc2)c(C)c1 ZINC000003317218 568745843 /nfs/dbraw/zinc/74/58/43/568745843.db2.gz CMTAZFXWIVPFAE-UHFFFAOYSA-N 0 0 429.549 4.701 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000003351402 568746924 /nfs/dbraw/zinc/74/69/24/568746924.db2.gz RBFHRTUKBDFBDB-OAHLLOKOSA-N 0 0 426.900 4.598 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000044170467 568749123 /nfs/dbraw/zinc/74/91/23/568749123.db2.gz HCISKCKMAAHMBS-OAHLLOKOSA-N 0 0 432.542 4.512 50 0 IJAARN COc1cccc(-n2c(SCc3cc(C(C)=O)ccc3OC)nc3ccccc3c2=O)c1 ZINC000003437164 568749504 /nfs/dbraw/zinc/74/95/04/568749504.db2.gz ZHUPUIKLMYBOJW-UHFFFAOYSA-N 0 0 446.528 4.898 50 0 IJAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000003643681 568752410 /nfs/dbraw/zinc/75/24/10/568752410.db2.gz OQKMTSIGROGNRX-FQEVSTJZSA-N 0 0 447.516 4.882 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4cccc(Cl)c4)c(=O)n3n2)cc1 ZINC000003649140 568752564 /nfs/dbraw/zinc/75/25/64/568752564.db2.gz KSDTXLJIJCDYSD-HKWRFOASSA-N 0 0 439.968 4.978 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1 ZINC000003643871 568752642 /nfs/dbraw/zinc/75/26/42/568752642.db2.gz NFNNPHFEMLLELE-LJQANCHMSA-N 0 0 447.516 4.916 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(CC)cc4)c(=O)n3n2)cc1 ZINC000003650991 568752741 /nfs/dbraw/zinc/75/27/41/568752741.db2.gz NGQKSAFWHUIHOR-XLNRJJMWSA-N 0 0 433.577 4.887 50 0 IJAARN CCCCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000003652520 568752967 /nfs/dbraw/zinc/75/29/67/568752967.db2.gz VIDXOJMNFVZSTN-OAQYLSRUSA-N 0 0 430.570 4.715 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000003765581 568754260 /nfs/dbraw/zinc/75/42/60/568754260.db2.gz DDOGTLPQQQMUGR-FQEVSTJZSA-N 0 0 448.588 4.998 50 0 IJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1ccc(CCc2nn[nH]n2)cc1 ZINC000263588806 568761103 /nfs/dbraw/zinc/76/11/03/568761103.db2.gz YOSGAYSBTVTHRQ-XMMPIXPASA-N 0 0 436.519 4.558 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-[n+]2ccn(CCC(C)C)c2)cc1 ZINC000334157008 568762133 /nfs/dbraw/zinc/76/21/33/568762133.db2.gz PPTRFFFOCKTEGG-UHFFFAOYSA-O 0 0 436.561 4.694 50 0 IJAARN Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1cccc(Br)c1 ZINC000334157652 568762141 /nfs/dbraw/zinc/76/21/41/568762141.db2.gz YPOPNGIYLKVYCF-UHFFFAOYSA-N 0 0 439.140 4.925 50 0 IJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1 ZINC000263616870 568776934 /nfs/dbraw/zinc/77/69/34/568776934.db2.gz KZMQHGPBWDGQJM-KRWDZBQOSA-N 0 0 441.260 4.773 50 0 IJAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263618004 568777418 /nfs/dbraw/zinc/77/74/18/568777418.db2.gz QVHUMIYUBVZFEO-SFHVURJKSA-N 0 0 446.360 4.909 50 0 IJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1 ZINC000263618747 568777603 /nfs/dbraw/zinc/77/76/03/568777603.db2.gz VIDWFMHFZWPHPR-SFHVURJKSA-N 0 0 442.397 4.899 50 0 IJAARN CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccc(F)cc1 ZINC000032103434 568780892 /nfs/dbraw/zinc/78/08/92/568780892.db2.gz ARXFFNQATUFHDB-UHFFFAOYSA-N 0 0 432.524 4.755 50 0 IJAARN CC(C)CN1c2ccc(F)cc2[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000032104460 568780918 /nfs/dbraw/zinc/78/09/18/568780918.db2.gz WUGGVSPIQKILEY-QHCPKHFHSA-N 0 0 438.890 4.945 50 0 IJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000004127364 568781106 /nfs/dbraw/zinc/78/11/06/568781106.db2.gz GQOOSVVOUNUBIM-UHFFFAOYSA-N 0 0 444.457 4.954 50 0 IJAARN COc1cc([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c(Br)cc1O ZINC000083881764 568784263 /nfs/dbraw/zinc/78/42/63/568784263.db2.gz DWYLYADWEVGONC-HXUWFJFHSA-N 0 0 443.297 4.547 50 0 IJAARN O=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1C(F)(F)F ZINC000001386421 568784546 /nfs/dbraw/zinc/78/45/46/568784546.db2.gz RINLLWSXFGPLQF-UHFFFAOYSA-N 0 0 427.304 4.522 50 0 IJAARN Cc1ccc(CSc2nnc(CNC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 ZINC000001392467 568785322 /nfs/dbraw/zinc/78/53/22/568785322.db2.gz OMWMHLOLKKMFDE-UHFFFAOYSA-N 0 0 432.524 4.937 50 0 IJAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(OC)cc1 ZINC000001392050 568785344 /nfs/dbraw/zinc/78/53/44/568785344.db2.gz XFKJVDPTSGHOSC-UHFFFAOYSA-N 0 0 435.427 4.894 50 0 IJAARN COc1ccc(CCNC(=O)c2cccnc2SCCC(F)=C(F)F)cc1OC ZINC000001403698 568786710 /nfs/dbraw/zinc/78/67/10/568786710.db2.gz IMZIJQOXCJEASO-UHFFFAOYSA-N 0 0 426.460 4.631 50 0 IJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)nn1 ZINC000001403858 568786731 /nfs/dbraw/zinc/78/67/31/568786731.db2.gz AJPRRONMHNNTPB-GFCCVEGCSA-N 0 0 425.794 4.778 50 0 IJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1C ZINC000084057830 568790496 /nfs/dbraw/zinc/79/04/96/568790496.db2.gz ZMNATULUQQWHMQ-GOSISDBHSA-N 0 0 430.291 4.516 50 0 IJAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(SCc2cscn2)cc1 ZINC000025903839 568790949 /nfs/dbraw/zinc/79/09/49/568790949.db2.gz LDPUOINKXZFTDI-UHFFFAOYSA-N 0 0 427.942 4.922 50 0 IJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000084068071 568791185 /nfs/dbraw/zinc/79/11/85/568791185.db2.gz UKAIWPDLNYMJGV-STQMWFEESA-N 0 0 430.517 4.750 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)SCc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000015495168 568792787 /nfs/dbraw/zinc/79/27/87/568792787.db2.gz CDDIUKIRFHMLTM-ZDUSSCGKSA-N 0 0 437.945 4.779 50 0 IJAARN O=C(Cn1c2ccccc2nc1-c1cncs1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001425459 568793774 /nfs/dbraw/zinc/79/37/74/568793774.db2.gz HNDCYZBWBZLZRN-UHFFFAOYSA-N 0 0 434.855 4.966 50 0 IJAARN COc1ccc([C@H]2OC(=O)N(Cc3cccc(Cl)c3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001425597 568793792 /nfs/dbraw/zinc/79/37/92/568793792.db2.gz IDIIXCDNVWBCEH-ISKFKSNPSA-N 0 0 439.895 4.896 50 0 IJAARN COc1ccc([C@H]2OC(=O)N(CCc3ccc(C)cc3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001428120 568794151 /nfs/dbraw/zinc/79/41/51/568794151.db2.gz YNHZDVCUKAUOMS-RSXGOPAZSA-N 0 0 433.504 4.594 50 0 IJAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(C(F)(F)F)nc1 ZINC000084343973 568797113 /nfs/dbraw/zinc/79/71/13/568797113.db2.gz MANYKWMNKMUYSO-UHFFFAOYSA-N 0 0 442.224 4.870 50 0 IJAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000084501933 568798128 /nfs/dbraw/zinc/79/81/28/568798128.db2.gz MXHACFRSNRFZPG-DLBZAZTESA-N 0 0 433.335 4.680 50 0 IJAARN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000084501932 568798159 /nfs/dbraw/zinc/79/81/59/568798159.db2.gz MXHACFRSNRFZPG-SJORKVTESA-N 0 0 433.335 4.680 50 0 IJAARN CC(C)[C@@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000084456593 568798231 /nfs/dbraw/zinc/79/82/31/568798231.db2.gz GMAAOYSSCIMURX-KRWDZBQOSA-N 0 0 428.627 4.877 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1C ZINC000015671335 568802838 /nfs/dbraw/zinc/80/28/38/568802838.db2.gz AHYOJEULQVFUDS-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(Cc2cccnc2)C3=O)o1 ZINC000015675698 568803938 /nfs/dbraw/zinc/80/39/38/568803938.db2.gz IIKAITQDUKEECL-SANMLTNESA-N 0 0 448.567 4.582 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000015675495 568803973 /nfs/dbraw/zinc/80/39/73/568803973.db2.gz FGGJLSKIUGTQRP-HHHXNRCGSA-N 0 0 447.579 4.921 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000015676295 568804096 /nfs/dbraw/zinc/80/40/96/568804096.db2.gz PHNBFDTYFRAGCH-SANMLTNESA-N 0 0 436.600 4.747 50 0 IJAARN COC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000001438000 568804174 /nfs/dbraw/zinc/80/41/74/568804174.db2.gz VAQUXSQUWWRCKU-UHFFFAOYSA-N 0 0 443.377 4.847 50 0 IJAARN CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCCC2)N(CC)C3=O)cc1 ZINC000015676808 568804348 /nfs/dbraw/zinc/80/43/48/568804348.db2.gz LGXRXPKVNQKEOY-SANMLTNESA-N 0 0 436.600 4.576 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000015680320 568806054 /nfs/dbraw/zinc/80/60/54/568806054.db2.gz GXGZZKXSAFIVEZ-UHFFFAOYSA-N 0 0 441.553 4.710 50 0 IJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1CC(=O)Nc1ccc(C)cc1C ZINC000015680325 568806060 /nfs/dbraw/zinc/80/60/60/568806060.db2.gz HDRBCPAZNYMFDN-UHFFFAOYSA-N 0 0 441.553 4.710 50 0 IJAARN Cc1oc(-c2ccc(C(=O)N3CCCCCC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000015682324 568807036 /nfs/dbraw/zinc/80/70/36/568807036.db2.gz GDBMHWRPSGSDLN-UHFFFAOYSA-N 0 0 438.549 4.640 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Cc4ccccc4)cc3s2)cc1 ZINC000015729319 568813365 /nfs/dbraw/zinc/81/33/65/568813365.db2.gz IQILSVNIZJRVTB-UHFFFAOYSA-N 0 0 437.546 4.587 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1 ZINC000015729833 568813694 /nfs/dbraw/zinc/81/36/94/568813694.db2.gz IVCSAVDYDHALLU-CYBMUJFWSA-N 0 0 449.985 4.765 50 0 IJAARN CCOc1ccc(CCNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733414 568815923 /nfs/dbraw/zinc/81/59/23/568815923.db2.gz MZXOUYQSGPICFL-UHFFFAOYSA-N 0 0 443.503 4.540 50 0 IJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCc3ccccc3Cl)c(C(=O)[O-])c2C)cc1 ZINC000015777224 568823737 /nfs/dbraw/zinc/82/37/37/568823737.db2.gz FEGIIVGULCWZFD-UHFFFAOYSA-N 0 0 426.944 4.846 50 0 IJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000085650197 568830961 /nfs/dbraw/zinc/83/09/61/568830961.db2.gz UEXIYASBTRNKDD-MRXNPFEDSA-N 0 0 436.537 4.592 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)c1 ZINC000085649802 568831271 /nfs/dbraw/zinc/83/12/71/568831271.db2.gz ZRILZBCCPNUGSV-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCCCN(C)C(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000015785902 568834029 /nfs/dbraw/zinc/83/40/29/568834029.db2.gz RVHXOXUAIOSDLW-UHFFFAOYSA-N 0 0 446.595 4.844 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc12 ZINC000085704260 568834718 /nfs/dbraw/zinc/83/47/18/568834718.db2.gz VEOLNHBDXZDZDI-UHFFFAOYSA-N 0 0 432.524 4.833 50 0 biogenic IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)C2CCCCC2)c1C ZINC000085711251 568835012 /nfs/dbraw/zinc/83/50/12/568835012.db2.gz OPGIPZXWWRKYHM-UHFFFAOYSA-N 0 0 426.557 4.926 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2cccc(OC)c2)c1C ZINC000085711064 568835028 /nfs/dbraw/zinc/83/50/28/568835028.db2.gz LVCHWGHCRLZRPM-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000085712407 568835586 /nfs/dbraw/zinc/83/55/86/568835586.db2.gz KXMVICBCHWOBOT-UHFFFAOYSA-N 0 0 440.565 4.508 50 0 IJAARN CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1 ZINC000000949963 568836475 /nfs/dbraw/zinc/83/64/75/568836475.db2.gz VDUQPDFEESRQQH-UHFFFAOYSA-N 0 0 431.359 4.799 50 0 IJAARN O=C([C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12)N1CCCCC1 ZINC000104920394 568839141 /nfs/dbraw/zinc/83/91/41/568839141.db2.gz IFNJGUUYCRACNG-FYYLOGMGSA-N 0 0 443.513 4.585 50 0 IJAARN Cc1ccc(NC=C2N=C(c3ccc(Br)cc3)OC2=O)c(Br)c1 ZINC000001513808 568839412 /nfs/dbraw/zinc/83/94/12/568839412.db2.gz WPDGMTOMXOIDAI-DHDCSXOGSA-N 0 0 436.103 4.777 50 0 IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1cc(C)ccc1C ZINC000015823802 568840172 /nfs/dbraw/zinc/84/01/72/568840172.db2.gz KSGSCAITSDKEPV-UHFFFAOYSA-N 0 0 429.567 4.782 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000001517254 568840359 /nfs/dbraw/zinc/84/03/59/568840359.db2.gz UKTHMBIRYVIFKC-UHFFFAOYSA-N 0 0 446.410 4.516 50 0 IJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(NC(C)=O)cc2)c1OC ZINC000015827456 568840929 /nfs/dbraw/zinc/84/09/29/568840929.db2.gz PVBJLEUMSJYJHP-LFIBNONCSA-N 0 0 441.487 4.532 50 0 IJAARN O=C(Nc1c(Br)cc(Br)cc1Br)c1cccnc1 ZINC000000641373 568841672 /nfs/dbraw/zinc/84/16/72/568841672.db2.gz QVDGSAWSFYVFIA-UHFFFAOYSA-N 0 0 434.913 4.621 50 0 IJAARN O=C(CSC(=S)N1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000033814637 568842370 /nfs/dbraw/zinc/84/23/70/568842370.db2.gz SJKAFIMFJROESH-KRWDZBQOSA-N 0 0 433.599 4.679 50 0 IJAARN Cc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015834054 568842381 /nfs/dbraw/zinc/84/23/81/568842381.db2.gz DMXYTJQUQNTZTC-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000015863790 568849549 /nfs/dbraw/zinc/84/95/49/568849549.db2.gz IVOMKAVGCANYEQ-KRWDZBQOSA-N 0 0 426.520 4.993 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(Cl)cc3)nc2c1 ZINC000015865437 568850337 /nfs/dbraw/zinc/85/03/37/568850337.db2.gz QAINLUDGRUCMPX-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1 ZINC000015870395 568851707 /nfs/dbraw/zinc/85/17/07/568851707.db2.gz LMJBPLXIYJKERL-UHFFFAOYSA-N 0 0 429.567 4.715 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000015880575 568854964 /nfs/dbraw/zinc/85/49/64/568854964.db2.gz UIWWYKGFNZZCQB-UHFFFAOYSA-N 0 0 436.415 4.867 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000015881516 568855325 /nfs/dbraw/zinc/85/53/25/568855325.db2.gz MOPZMHGYGDBJKJ-UHFFFAOYSA-N 0 0 432.480 4.630 50 0 IJAARN O=C(CSc1ncnc2sc3c(c21)CCC3)NCCc1ccc(Cl)cc1Cl ZINC000015913999 568858703 /nfs/dbraw/zinc/85/87/03/568858703.db2.gz RAHQQAOXDCIOII-UHFFFAOYSA-N 0 0 438.405 4.938 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2Cl)cc1 ZINC000015981047 568861924 /nfs/dbraw/zinc/86/19/24/568861924.db2.gz FHHAWDDRDXLHNR-QHCPKHFHSA-N 0 0 448.906 4.883 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000016002274 568862298 /nfs/dbraw/zinc/86/22/98/568862298.db2.gz GGBFGQQTBKWXBC-VWLOTQADSA-N 0 0 437.923 4.910 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c2ccccc12 ZINC000012937492 568867382 /nfs/dbraw/zinc/86/73/82/568867382.db2.gz UBSBARWIMRMVAB-UHFFFAOYSA-N 0 0 436.939 4.670 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)ccc12 ZINC000016042768 568868455 /nfs/dbraw/zinc/86/84/55/568868455.db2.gz HVKPZSTWAJEFSZ-QGZVFWFLSA-N 0 0 449.569 4.606 50 0 IJAARN CC(=O)N(c1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)s1)C1CC1 ZINC000012949133 568871766 /nfs/dbraw/zinc/87/17/66/568871766.db2.gz DVQPINHEHSFTKB-LJQANCHMSA-N 0 0 442.635 4.856 50 0 IJAARN Cc1nc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)nn1-c1ccc(OC(F)F)cc1 ZINC000368013263 568875685 /nfs/dbraw/zinc/87/56/85/568875685.db2.gz UBJHJFSKUVHHJC-UHFFFAOYSA-N 0 0 448.429 4.660 50 0 IJAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccccc1C(F)(F)F ZINC000009599785 568884129 /nfs/dbraw/zinc/88/41/29/568884129.db2.gz KEMRVHCZQUTDJL-UHFFFAOYSA-N 0 0 435.456 4.602 50 0 IJAARN COc1cccc2cc(C(=O)NCc3cc(-c4cccs4)n(C4CCCC4)n3)c(=O)oc21 ZINC000090607079 568889669 /nfs/dbraw/zinc/88/96/69/568889669.db2.gz FRYLDLUPHHSOSY-UHFFFAOYSA-N 0 0 449.532 4.772 50 0 IJAARN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006348640 568893504 /nfs/dbraw/zinc/89/35/04/568893504.db2.gz KDYPYCFRTJCELO-JOPVOSQUSA-N 0 0 447.560 4.649 50 0 IJAARN COc1cccc(CN(C(=O)CSc2nccn2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006369138 568893700 /nfs/dbraw/zinc/89/37/00/568893700.db2.gz DNYVLOHHEJEKBR-UHFFFAOYSA-N 0 0 425.598 4.518 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC[C@@H](C)C1 ZINC000012987882 568895240 /nfs/dbraw/zinc/89/52/40/568895240.db2.gz GXEOWHZEJFBVKS-HUUCEWRRSA-N 0 0 434.993 4.585 50 0 IJAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000013003543 568898588 /nfs/dbraw/zinc/89/85/88/568898588.db2.gz ZSOHAWVCRBLWJO-UHFFFAOYSA-N 0 0 444.531 4.625 50 0 IJAARN CCCCc1noc([C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)n1 ZINC000013009272 568899757 /nfs/dbraw/zinc/89/97/57/568899757.db2.gz XPXWEDDEEOVCKO-CRAIPNDOSA-N 0 0 443.573 4.712 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2Br)sc2nc3n(c(=O)c12)CCCCC3 ZINC000013012891 568901256 /nfs/dbraw/zinc/90/12/56/568901256.db2.gz MPXGVZQXTLOIRI-UHFFFAOYSA-N 0 0 432.343 4.508 50 0 IJAARN CCN(CC)C(=O)[C@@H](C)Sc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC ZINC000026639957 568905466 /nfs/dbraw/zinc/90/54/66/568905466.db2.gz IBEVUAHKZMLAEY-CQSZACIVSA-N 0 0 447.601 4.941 50 0 IJAARN CCOCCOC(=O)COc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000001775162 568906476 /nfs/dbraw/zinc/90/64/76/568906476.db2.gz DHUGOXDJIQIHCL-UHFFFAOYSA-N 0 0 446.883 4.814 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4cccc(Br)c4)c(=O)c23)C1 ZINC000001785006 568907492 /nfs/dbraw/zinc/90/74/92/568907492.db2.gz MPBRCMJVZLUMRG-CYBMUJFWSA-N 0 0 432.387 4.815 50 0 IJAARN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245254815 568913606 /nfs/dbraw/zinc/91/36/06/568913606.db2.gz CFQMZJGTRPLWLR-LDVJMBRRSA-N 0 0 448.950 4.598 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)Nc2ccccc2C)cc1 ZINC000016498973 568920442 /nfs/dbraw/zinc/92/04/42/568920442.db2.gz UORNQAMCKWHYST-UHFFFAOYSA-N 0 0 428.510 4.551 50 0 IJAARN CCCC[C@H](CC)C(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC ZINC000016571785 568922250 /nfs/dbraw/zinc/92/22/50/568922250.db2.gz MZTANJNXNYDYAD-BXWFABGCSA-N 0 0 446.617 4.900 50 0 IJAARN CCOCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000035793801 568923107 /nfs/dbraw/zinc/92/31/07/568923107.db2.gz QGPSYHDIMRGZDD-UHFFFAOYSA-N 0 0 440.519 4.863 50 0 IJAARN CCCCOC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000003206479 568925593 /nfs/dbraw/zinc/92/55/93/568925593.db2.gz OBKROOGSNZFOHQ-UHFFFAOYSA-N 0 0 438.476 4.652 50 0 biogenic IJAARN CCCCCCC(=O)N1CCN(c2nc(C)nc(CC)c2Cc2cccc(F)c2)CC1 ZINC000035807121 568926125 /nfs/dbraw/zinc/92/61/25/568926125.db2.gz TYYVJNDZBXKQPV-UHFFFAOYSA-N 0 0 426.580 4.696 50 0 IJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000064438982 568928290 /nfs/dbraw/zinc/92/82/90/568928290.db2.gz QPVIRGOCUACBMN-UHFFFAOYSA-N 0 0 429.904 4.958 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)cc1 ZINC000064452323 568929148 /nfs/dbraw/zinc/92/91/48/568929148.db2.gz UZTOYFILNLWYRT-LJQANCHMSA-N 0 0 436.943 4.764 50 0 IJAARN Cc1nn(-c2cccc(C)c2C)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000064450213 568929272 /nfs/dbraw/zinc/92/92/72/568929272.db2.gz NMPYKWYKDOYFGB-KRWDZBQOSA-N 0 0 438.325 4.869 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc(-c3ccncc3)n(-c3ccccc3)n2)cc1Cl ZINC000064472918 568929833 /nfs/dbraw/zinc/92/98/33/568929833.db2.gz CNDWLRZZPKNSTN-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064558282 568931974 /nfs/dbraw/zinc/93/19/74/568931974.db2.gz RCYSFKSYCKSAIW-QHCPKHFHSA-N 0 0 447.556 4.884 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c(c(COc3cccc(F)c3)nn2C)C1 ZINC000064566009 568932845 /nfs/dbraw/zinc/93/28/45/568932845.db2.gz CWNVFCCRGLPNBR-UHFFFAOYSA-N 0 0 428.895 4.690 50 0 IJAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCCc4ccccc4)c3)ncn2)cc1 ZINC000064578394 568934177 /nfs/dbraw/zinc/93/41/77/568934177.db2.gz IVBNOIVPRNMDCR-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN CCOc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064664719 568942543 /nfs/dbraw/zinc/94/25/43/568942543.db2.gz OOFPOGHGUVEWPI-SFHVURJKSA-N 0 0 429.520 4.983 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(CC)cc2)CC3)cc1 ZINC000064660240 568942566 /nfs/dbraw/zinc/94/25/66/568942566.db2.gz MBPXUXYRDCBAQL-UHFFFAOYSA-N 0 0 428.579 4.518 50 0 IJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cs1 ZINC000064669960 568943526 /nfs/dbraw/zinc/94/35/26/568943526.db2.gz HKNJGFSOKVYNIH-UHFFFAOYSA-N 0 0 441.622 4.753 50 0 IJAARN Nc1c(-c2nc(-c3cccc(Br)c3)cs2)nnn1-c1ccc(F)cc1F ZINC000064664500 568943615 /nfs/dbraw/zinc/94/36/15/568943615.db2.gz WJBZBCHBVACRLG-UHFFFAOYSA-N 0 0 434.269 4.681 50 0 IJAARN CCOc1ccc(CN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)CC)cc1 ZINC000036063834 568945103 /nfs/dbraw/zinc/94/51/03/568945103.db2.gz XKAOAXIMYAJVHW-GOSISDBHSA-N 0 0 439.531 4.943 50 0 IJAARN O=C(NC1CC1)c1coc(CN(Cc2cccc(F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065464 568945244 /nfs/dbraw/zinc/94/52/44/568945244.db2.gz LXWYOALAXSVVJL-UHFFFAOYSA-N 0 0 447.432 4.927 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3c4c(nc5nc(-c6cccs6)nn53)CCCC4)CC2)c1 ZINC000064728304 568945719 /nfs/dbraw/zinc/94/57/19/568945719.db2.gz PLKBNZFLBGIQHO-UHFFFAOYSA-N 0 0 444.608 4.675 50 0 IJAARN COc1ccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)Cc2ccccc2)cc1 ZINC000036072296 568946057 /nfs/dbraw/zinc/94/60/57/568946057.db2.gz BZYZVIJSDCTEGQ-UHFFFAOYSA-N 0 0 441.531 4.816 50 0 IJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(OC)c2)n1 ZINC000036072488 568946080 /nfs/dbraw/zinc/94/60/80/568946080.db2.gz WLIFEOHBHZPRAQ-QGZVFWFLSA-N 0 0 425.504 4.553 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072333 568946135 /nfs/dbraw/zinc/94/61/35/568946135.db2.gz FARMKRVGBAMXGW-UHFFFAOYSA-N 0 0 435.421 4.785 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)c2ccccc2)c(C)c1 ZINC000036073584 568946504 /nfs/dbraw/zinc/94/65/04/568946504.db2.gz YPEZYIXKEFDQTE-NRFANRHFSA-N 0 0 433.552 4.527 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000064746903 568949807 /nfs/dbraw/zinc/94/98/07/568949807.db2.gz BUQOYANCQPQEHC-UHFFFAOYSA-N 0 0 446.454 4.589 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1ccc(F)c(F)c1 ZINC000064746940 568950305 /nfs/dbraw/zinc/95/03/05/568950305.db2.gz XCCXDNQKXRFOPX-UHFFFAOYSA-N 0 0 448.454 4.590 50 0 IJAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)Nc1ccc(F)cc1 ZINC000064747022 568950483 /nfs/dbraw/zinc/95/04/83/568950483.db2.gz CUCHEUPUHSTQMZ-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2s1 ZINC000064747897 568950601 /nfs/dbraw/zinc/95/06/01/568950601.db2.gz AYQZCFZKRDYVNO-UHFFFAOYSA-N 0 0 426.922 4.771 50 0 IJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000064747896 568950683 /nfs/dbraw/zinc/95/06/83/568950683.db2.gz JBVBEHGTTBKJCD-UHFFFAOYSA-N 0 0 426.922 4.771 50 0 IJAARN O=C(Nc1ccccc1)c1cccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 ZINC000064754582 568950742 /nfs/dbraw/zinc/95/07/42/568950742.db2.gz DXQCWEFIGSLRGL-QGZVFWFLSA-N 0 0 433.895 4.584 50 0 IJAARN COc1c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2oc1C(=O)Nc1cccc(C)c1 ZINC000064755701 568951205 /nfs/dbraw/zinc/95/12/05/568951205.db2.gz DUVQTUJEAPLZOV-UHFFFAOYSA-N 0 0 444.443 4.983 50 0 IJAARN COCCCNc1c(-c2ccc(F)cc2)nc2sc(C(=O)N3CCCCC3)c(C)n21 ZINC000064761274 568952271 /nfs/dbraw/zinc/95/22/71/568952271.db2.gz MIUGQWXWUCULIW-UHFFFAOYSA-N 0 0 430.549 4.585 50 0 IJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000064761847 568952729 /nfs/dbraw/zinc/95/27/29/568952729.db2.gz UMNMCXRYGQSKMT-MRXNPFEDSA-N 0 0 433.270 4.826 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)Cc1ccccc1 ZINC000036105453 568953109 /nfs/dbraw/zinc/95/31/09/568953109.db2.gz AAERNYKIXHUAHP-UHFFFAOYSA-N 0 0 430.957 4.593 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccc(C)cc1 ZINC000036105446 568953145 /nfs/dbraw/zinc/95/31/45/568953145.db2.gz DOJJNNLDPSWPFZ-UHFFFAOYSA-N 0 0 430.957 4.973 50 0 IJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccc(OC)cc1 ZINC000036105223 568953447 /nfs/dbraw/zinc/95/34/47/568953447.db2.gz QUVCZLCXBQUZMB-UHFFFAOYSA-N 0 0 440.565 4.636 50 0 IJAARN C=CCN1C(=O)C(=CNc2ccc3c(c2)c2ccccc2n3CC)C(=O)N(CCCC)C1=O ZINC000008431395 568954372 /nfs/dbraw/zinc/95/43/72/568954372.db2.gz ICPRQJYIQDICLT-FXBPSFAMSA-N 0 0 444.535 4.887 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccc(F)cc2)C2CC2)cs1 ZINC000036114968 568955462 /nfs/dbraw/zinc/95/54/62/568955462.db2.gz RSFBPJZEDQFWEX-UHFFFAOYSA-N 0 0 442.512 4.683 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C1CC1 ZINC000036116850 568955744 /nfs/dbraw/zinc/95/57/44/568955744.db2.gz KAAASMQHDAPAOL-QFIPXVFZSA-N 0 0 440.609 4.777 50 0 IJAARN CCC(=O)N(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000036116817 568955773 /nfs/dbraw/zinc/95/57/73/568955773.db2.gz ORAXIDZXDMCSJI-OAQYLSRUSA-N 0 0 428.598 4.635 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(C)=O ZINC000036116904 568955779 /nfs/dbraw/zinc/95/57/79/568955779.db2.gz BZBGSMOUDCXIHW-QFIPXVFZSA-N 0 0 428.598 4.635 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)CC(C)C ZINC000036118562 568955949 /nfs/dbraw/zinc/95/59/49/568955949.db2.gz OZMSRBOIEKSVOG-OAQYLSRUSA-N 0 0 442.625 4.764 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(C)(C)C ZINC000036118844 568956081 /nfs/dbraw/zinc/95/60/81/568956081.db2.gz BUCDISPPAKWQNQ-FQEVSTJZSA-N 0 0 428.598 4.517 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C1CCCC1 ZINC000036119581 568956826 /nfs/dbraw/zinc/95/68/26/568956826.db2.gz QGOKDKQLLXRFIK-QFIPXVFZSA-N 0 0 440.609 4.682 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000006705652 568957297 /nfs/dbraw/zinc/95/72/97/568957297.db2.gz ZKNUDKVTXREGGT-JOCHJYFZSA-N 0 0 426.488 4.541 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F ZINC000036120715 568957554 /nfs/dbraw/zinc/95/75/54/568957554.db2.gz JODYAELTEIWUCH-FQEVSTJZSA-N 0 0 446.588 4.677 50 0 IJAARN CC(C)NC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(C)C ZINC000006709388 568958844 /nfs/dbraw/zinc/95/88/44/568958844.db2.gz WIODXTYPUCSSTB-UHFFFAOYSA-N 0 0 430.980 4.987 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1sc2ncccc2c1N ZINC000064794137 568959911 /nfs/dbraw/zinc/95/99/11/568959911.db2.gz MZIYLIMORRHHBE-UHFFFAOYSA-N 0 0 438.582 4.505 50 0 IJAARN COCCn1c(SCc2cccc(Cl)c2)nnc1-c1sc2ncccc2c1N ZINC000064794328 568959938 /nfs/dbraw/zinc/95/99/38/568959938.db2.gz BCYPQEICSZNWKB-UHFFFAOYSA-N 0 0 431.974 4.729 50 0 IJAARN Cc1ccccc1CSc1nnc(-c2sc3ncccc3c2N)n1C[C@@H]1CCCO1 ZINC000064794604 568960120 /nfs/dbraw/zinc/96/01/20/568960120.db2.gz UBMCTWZNEXFPKS-INIZCTEOSA-N 0 0 437.594 4.917 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(N2CCOCC2)n1 ZINC000064801096 568960695 /nfs/dbraw/zinc/96/06/95/568960695.db2.gz ADGIOMOPQNEKCP-UHFFFAOYSA-N 0 0 439.519 4.771 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147219 568962542 /nfs/dbraw/zinc/96/25/42/568962542.db2.gz BEOUDJBUXCHTII-DQEYMECFSA-N 0 0 448.538 4.569 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152547 568963607 /nfs/dbraw/zinc/96/36/07/568963607.db2.gz OJOBTFLQTGQMAC-XMMPIXPASA-N 0 0 434.948 4.929 50 0 IJAARN Cc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000064818357 568966425 /nfs/dbraw/zinc/96/64/25/568966425.db2.gz RAMMANKEALTXOQ-UHFFFAOYSA-N 0 0 426.314 4.827 50 0 IJAARN O=C([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCC3)C2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000064820763 568967178 /nfs/dbraw/zinc/96/71/78/568967178.db2.gz NPFVYUMACDTACQ-KRWDZBQOSA-N 0 0 441.959 4.603 50 0 IJAARN O=C([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCC3)C2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000064820762 568967297 /nfs/dbraw/zinc/96/72/97/568967297.db2.gz NPFVYUMACDTACQ-QGZVFWFLSA-N 0 0 441.959 4.603 50 0 IJAARN O=C(c1ccccc1)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)c(F)c1)C2=O ZINC000036166862 568967677 /nfs/dbraw/zinc/96/76/77/568967677.db2.gz BXYCKJUNEXMQLK-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)NCc3ccccc3)C2=O)c1 ZINC000036161820 568967781 /nfs/dbraw/zinc/96/77/81/568967781.db2.gz RLPAVIZUMPJJQA-AREMUKBSSA-N 0 0 443.572 4.653 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)c3ccccc3F)C2=O)c1 ZINC000036164465 568968051 /nfs/dbraw/zinc/96/80/51/568968051.db2.gz FCPYRIHRQTXOLT-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C)c1 ZINC000036164862 568968151 /nfs/dbraw/zinc/96/81/51/568968151.db2.gz BIJRQRYBAZINFM-XMMPIXPASA-N 0 0 434.586 4.954 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@]3(SCCN3C(=O)c3ccco3)C2=O)cc1 ZINC000036165598 568968287 /nfs/dbraw/zinc/96/82/87/568968287.db2.gz YEPUGCXXXSWEBK-HSZRJFAPSA-N 0 0 438.936 4.830 50 0 IJAARN CC(C)CC(=O)N1CCS[C@]12c1cc(F)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165420 568968386 /nfs/dbraw/zinc/96/83/86/568968386.db2.gz MMXWNGLHAACSKN-QFIPXVFZSA-N 0 0 432.948 4.800 50 0 IJAARN O=C(C1CC1)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165741 568968415 /nfs/dbraw/zinc/96/84/15/568968415.db2.gz RQZWBZNUOWPWOE-NRFANRHFSA-N 0 0 433.360 4.678 50 0 IJAARN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842640 568970999 /nfs/dbraw/zinc/97/09/99/568970999.db2.gz BEWUWCCYSYUNDM-IBGZPJMESA-N 0 0 446.507 4.575 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064848099 568971422 /nfs/dbraw/zinc/97/14/22/568971422.db2.gz OUNDNOPRUVGMOU-UHFFFAOYSA-N 0 0 441.984 4.799 50 0 biogenic IJAARN O=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848113 568971475 /nfs/dbraw/zinc/97/14/75/568971475.db2.gz QLAAOQGECAAZTE-UHFFFAOYSA-N 0 0 449.910 4.514 50 0 biogenic IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1 ZINC000064844375 568971737 /nfs/dbraw/zinc/97/17/37/568971737.db2.gz HLKIRWYTQNLAFF-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1 ZINC000064844357 568971770 /nfs/dbraw/zinc/97/17/70/568971770.db2.gz IAFWSFUSPMGMMO-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCOC)C(=O)c1ccccc1F ZINC000036208141 568973185 /nfs/dbraw/zinc/97/31/85/568973185.db2.gz KZMVXSWCHWPDEP-UHFFFAOYSA-N 0 0 425.504 4.616 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cc(Cl)ccc3C)c2)on1 ZINC000064866000 568974238 /nfs/dbraw/zinc/97/42/38/568974238.db2.gz FICKZLKJVPJGIR-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)c2)c1C ZINC000064867078 568974787 /nfs/dbraw/zinc/97/47/87/568974787.db2.gz VKAZYZRIMDPPNR-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(CC)c2)cc1 ZINC000064871992 568977929 /nfs/dbraw/zinc/97/79/29/568977929.db2.gz MLFWFJDKPSKZNP-UHFFFAOYSA-N 0 0 428.579 4.950 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000064872537 568978103 /nfs/dbraw/zinc/97/81/03/568978103.db2.gz JSPWFIDJVFPISA-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN CCCn1c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2nc(C)c1=O ZINC000064890453 568981299 /nfs/dbraw/zinc/98/12/99/568981299.db2.gz BXXISZZQLAPYCE-UHFFFAOYSA-N 0 0 425.286 4.594 50 0 IJAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246384 568981957 /nfs/dbraw/zinc/98/19/57/568981957.db2.gz WGZXIGYWQIMZQB-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc([C@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246906 568982112 /nfs/dbraw/zinc/98/21/12/568982112.db2.gz MQOURHREBIZHFQ-KRWDZBQOSA-N 0 0 427.522 4.669 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)c2cccc(Cl)c2)cc1 ZINC000036247528 568982278 /nfs/dbraw/zinc/98/22/78/568982278.db2.gz ZGFAPXBJOGFOOJ-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)cc1OC ZINC000036248042 568982598 /nfs/dbraw/zinc/98/25/98/568982598.db2.gz JDTCDXALPQUUFK-UHFFFAOYSA-N 0 0 429.513 4.855 50 0 IJAARN COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000036248837 568983027 /nfs/dbraw/zinc/98/30/27/568983027.db2.gz QPSXDDAEMMIYLC-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc(CN(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248848 568983046 /nfs/dbraw/zinc/98/30/46/568983046.db2.gz AOLXSBJZMWJKDZ-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CCCN(Cc1c(-c2ccccc2)noc1N(C)C(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000036249041 568983073 /nfs/dbraw/zinc/98/30/73/568983073.db2.gz LUSBQOONULJPSI-UHFFFAOYSA-N 0 0 435.524 4.967 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1F ZINC000036249385 568983240 /nfs/dbraw/zinc/98/32/40/568983240.db2.gz DTLGTSGJERIZSY-GOSISDBHSA-N 0 0 437.515 4.758 50 0 IJAARN CCCCc1ccc(C(=O)N2CCN([C@H](C(=O)NCCC(C)C)C3CCCC3)CC2)cc1 ZINC000036254611 568984745 /nfs/dbraw/zinc/98/47/45/568984745.db2.gz UHXBDLFZXABCLK-VWLOTQADSA-N 0 0 441.660 4.508 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928953 568987278 /nfs/dbraw/zinc/98/72/78/568987278.db2.gz QUYOLNSIDWCMLM-OAQYLSRUSA-N 0 0 448.542 4.604 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928966 568987302 /nfs/dbraw/zinc/98/73/02/568987302.db2.gz JXHCGXPKJPASRS-QFIPXVFZSA-N 0 0 432.543 4.939 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000064930066 568988459 /nfs/dbraw/zinc/98/84/59/568988459.db2.gz NIBZMNHFWOSXCQ-KRWDZBQOSA-N 0 0 426.929 4.730 50 0 IJAARN O=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(Br)cc1F ZINC000064944692 568993394 /nfs/dbraw/zinc/99/33/94/568993394.db2.gz ZCHUBEDICMAKCM-UHFFFAOYSA-N 0 0 447.333 4.721 50 0 IJAARN O=C(CSc1nc2ccccc2n2c(-c3ccccc3)nnc12)Nc1ccc(F)cc1F ZINC000064949378 568995041 /nfs/dbraw/zinc/99/50/41/568995041.db2.gz VWPGDTNCCMAITB-UHFFFAOYSA-N 0 0 447.470 4.954 50 0 IJAARN CSc1cccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)c1 ZINC000064950123 568995692 /nfs/dbraw/zinc/99/56/92/568995692.db2.gz LARMZUKBBMCTLG-UHFFFAOYSA-N 0 0 430.464 4.964 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCc3ccccn3)c(C)c12 ZINC000006803891 568996434 /nfs/dbraw/zinc/99/64/34/568996434.db2.gz HLDJOYKRXIDXQV-UHFFFAOYSA-N 0 0 427.552 4.607 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F ZINC000036312552 568997767 /nfs/dbraw/zinc/99/77/67/568997767.db2.gz ZBPNOLBQCATXKX-UHFFFAOYSA-N 0 0 437.515 4.760 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C(=O)C1CCCC1 ZINC000036312790 568997856 /nfs/dbraw/zinc/99/78/56/568997856.db2.gz HMKAFFWXFHJBPT-IBGZPJMESA-N 0 0 425.573 4.886 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)CC(C)(C)C)c1 ZINC000036314377 568998365 /nfs/dbraw/zinc/99/83/65/568998365.db2.gz FGUPRAXEVQOECL-UHFFFAOYSA-N 0 0 425.573 4.661 50 0 IJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccc(F)cc1 ZINC000036314287 568998933 /nfs/dbraw/zinc/99/89/33/568998933.db2.gz NTNMNIRERGEPMV-UHFFFAOYSA-N 0 0 437.515 4.678 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)c(C)o1 ZINC000064967445 569001185 /nfs/dbraw/zinc/00/11/85/569001185.db2.gz CKVXILPMWVSZFD-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(C(=O)NCc2ccc(C(C)C)cc2)c1C ZINC000064967718 569001365 /nfs/dbraw/zinc/00/13/65/569001365.db2.gz GQLKUFLHOUQAKT-UHFFFAOYSA-N 0 0 443.551 4.960 50 0 IJAARN COc1ccc(-n2cc(C(=O)Oc3cc(C)cc(C)c3)c3ccccc3c2=O)cc1OC ZINC000064977289 569077015 /nfs/dbraw/zinc/07/70/15/569077015.db2.gz VSMJLVGFYPIRMC-UHFFFAOYSA-N 0 0 429.472 4.844 50 0 IJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3ccc(Cl)cc3)cc2=O)s1 ZINC000064976832 569077253 /nfs/dbraw/zinc/07/72/53/569077253.db2.gz VPBMOKAQFWXXGK-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OCC ZINC000064978173 569077743 /nfs/dbraw/zinc/07/77/43/569077743.db2.gz RTXRDZVVIVJHHN-UHFFFAOYSA-N 0 0 444.531 4.617 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4ccccc4Br)ccc32)c1 ZINC000064978289 569077773 /nfs/dbraw/zinc/07/77/73/569077773.db2.gz AGUQHDFUBUQORC-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344006 569080001 /nfs/dbraw/zinc/08/00/01/569080001.db2.gz ZBWTWBUQXQSWDJ-QHCPKHFHSA-N 0 0 425.960 4.902 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987218 569082378 /nfs/dbraw/zinc/08/23/78/569082378.db2.gz INWLEGBHNQLGRM-UHFFFAOYSA-N 0 0 444.944 4.511 50 0 IJAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@@H](CC)c3ccc4c(c3)OCCCO4)c21 ZINC000064987087 569082560 /nfs/dbraw/zinc/08/25/60/569082560.db2.gz ZMJYWFKQXGRKEX-QFIPXVFZSA-N 0 0 434.536 4.835 50 0 IJAARN CC(C)[C@H](NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987051 569082580 /nfs/dbraw/zinc/08/25/80/569082580.db2.gz OIUJAVHRALERIV-SANMLTNESA-N 0 0 446.547 4.909 50 0 IJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4cccc(Cl)c4)CC3)C2=O)c1 ZINC000064989002 569082946 /nfs/dbraw/zinc/08/29/46/569082946.db2.gz AOWXOZMIWRUVJV-UHFFFAOYSA-N 0 0 426.948 4.583 50 0 IJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc21 ZINC000064990054 569083152 /nfs/dbraw/zinc/08/31/52/569083152.db2.gz RBHQAGURHZAKOV-UHFFFAOYSA-N 0 0 448.563 4.887 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N(C)c4cccc(C)c4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000407 569085917 /nfs/dbraw/zinc/08/59/17/569085917.db2.gz XWAIBDGOHGRFMT-UHFFFAOYSA-N 0 0 428.532 4.886 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023381 569089370 /nfs/dbraw/zinc/08/93/70/569089370.db2.gz QJSWEIJKTWAZFR-HSZRJFAPSA-N 0 0 444.579 4.774 50 0 IJAARN Cc1nc2onc(-c3cccc(F)c3)c2c(OCC(=O)Nc2cccc(Cl)c2C)n1 ZINC000065024838 569089746 /nfs/dbraw/zinc/08/97/46/569089746.db2.gz KQJALZWXMGHZKO-UHFFFAOYSA-N 0 0 426.835 4.712 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NC4CCCCC4)no3)cc2)c1 ZINC000065027159 569090228 /nfs/dbraw/zinc/09/02/28/569090228.db2.gz FPJVYIPJNZTZTJ-UHFFFAOYSA-N 0 0 433.508 4.877 50 0 IJAARN CC(C)C(=O)Nc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1 ZINC000065027499 569091116 /nfs/dbraw/zinc/09/11/16/569091116.db2.gz CYKJFUNVKDSZTE-UHFFFAOYSA-N 0 0 433.596 4.832 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031617 569091506 /nfs/dbraw/zinc/09/15/06/569091506.db2.gz URXIPCLULWKZNY-INIZCTEOSA-N 0 0 429.476 4.720 50 0 IJAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169753375 569093577 /nfs/dbraw/zinc/09/35/77/569093577.db2.gz MFTUHQGUOAZWIC-LJQANCHMSA-N 0 0 433.943 4.539 50 0 IJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)N1CCN(c2ccccc2F)CC1 ZINC000065061086 569096253 /nfs/dbraw/zinc/09/62/53/569096253.db2.gz PIFSMPUEYRHMDI-UHFFFAOYSA-N 0 0 446.501 4.561 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000065061060 569096289 /nfs/dbraw/zinc/09/62/89/569096289.db2.gz APRJITGTQQGRMT-UHFFFAOYSA-N 0 0 431.467 4.888 50 0 IJAARN COc1ccc(CNC(=O)CCc2c(-c3cccc(Cl)c3)nc3ccccn32)cc1OC ZINC000065061255 569096437 /nfs/dbraw/zinc/09/64/37/569096437.db2.gz ZEOHJEOUTZEJES-UHFFFAOYSA-N 0 0 449.938 4.921 50 0 IJAARN O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)cc2N1 ZINC000036391240 569097195 /nfs/dbraw/zinc/09/71/95/569097195.db2.gz WPHBUZFHRMGNKO-NRFANRHFSA-N 0 0 436.936 4.574 50 0 IJAARN CC1CCC(NC(=O)c2cccn(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)c2=O)CC1 ZINC000065062749 569097247 /nfs/dbraw/zinc/09/72/47/569097247.db2.gz IVYFTZTYDPAPHS-UHFFFAOYSA-N 0 0 447.510 4.537 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396180 569098940 /nfs/dbraw/zinc/09/89/40/569098940.db2.gz UOPDKYAWMCUXJI-HSZRJFAPSA-N 0 0 434.536 4.663 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000065075176 569099552 /nfs/dbraw/zinc/09/95/52/569099552.db2.gz SHJKBNKYZQRELF-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4C)csc3n2)cc1OC ZINC000065079556 569100981 /nfs/dbraw/zinc/10/09/81/569100981.db2.gz PLMCMPVFPMPCSE-UHFFFAOYSA-N 0 0 425.485 4.709 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)c(F)c4)csc3n2)cc1OC ZINC000065079538 569101024 /nfs/dbraw/zinc/10/10/24/569101024.db2.gz HODYQIRCDUMOBJ-UHFFFAOYSA-N 0 0 429.448 4.539 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4cccc(C)c4)C3)sc12 ZINC000065081374 569101492 /nfs/dbraw/zinc/10/14/92/569101492.db2.gz ITGNFJGJNCLDRJ-SFHVURJKSA-N 0 0 431.565 4.954 50 0 IJAARN O=C(NCC1CCOCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772710 569101580 /nfs/dbraw/zinc/10/15/80/569101580.db2.gz ZCTUGNZMYNHNNM-DEOSSOPVSA-N 0 0 438.612 4.804 50 0 IJAARN CC(C)OCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772746 569101776 /nfs/dbraw/zinc/10/17/76/569101776.db2.gz HJIJHRZJVVFYNN-DEOSSOPVSA-N 0 0 434.580 4.670 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 ZINC000065081936 569102029 /nfs/dbraw/zinc/10/20/29/569102029.db2.gz UQNFTNDUUYTCPF-WIYYLYMNSA-N 0 0 446.522 4.767 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCc3ccc(F)c(Cl)c3)c2-c2ccncc2)c1 ZINC000065083327 569102309 /nfs/dbraw/zinc/10/23/09/569102309.db2.gz QCZVGLMCVHIDQL-UHFFFAOYSA-N 0 0 435.890 4.614 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(F)cc1)CO2)c1ccc(Cl)cc1 ZINC000065082842 569102545 /nfs/dbraw/zinc/10/25/45/569102545.db2.gz CMMYOJYMSXZKMJ-SFHVURJKSA-N 0 0 438.886 4.599 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085123 569102736 /nfs/dbraw/zinc/10/27/36/569102736.db2.gz PEERTRZVCMRTTR-UHFFFAOYSA-N 0 0 427.425 4.732 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)cc1 ZINC000065098127 569104515 /nfs/dbraw/zinc/10/45/15/569104515.db2.gz NSWDPMJGIIUFMX-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 ZINC000065099347 569105031 /nfs/dbraw/zinc/10/50/31/569105031.db2.gz VMAAYSRGRAKNJI-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN Cc1ccc(-c2nn(C)cc2-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 ZINC000065099365 569105094 /nfs/dbraw/zinc/10/50/94/569105094.db2.gz VQJDKDUGYNCBQS-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000169784544 569105175 /nfs/dbraw/zinc/10/51/75/569105175.db2.gz VEASBBXXJQJYNU-ZBTFPREESA-N 0 0 433.552 4.903 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)cc1Cl ZINC000065102743 569106225 /nfs/dbraw/zinc/10/62/25/569106225.db2.gz UJUFWPJHIQHTJB-UHFFFAOYSA-N 0 0 445.928 4.979 50 0 IJAARN Cc1cccc(-c2noc(-c3nn(CC(=O)NCc4ccc(F)cc4)c4ccccc43)n2)c1 ZINC000065111360 569106479 /nfs/dbraw/zinc/10/64/79/569106479.db2.gz RUGLUTZENMBDTH-UHFFFAOYSA-N 0 0 441.466 4.517 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(Oc2nccnc2N2CCC(C)CC2)cc1 ZINC000065115499 569106825 /nfs/dbraw/zinc/10/68/25/569106825.db2.gz MQBXPDDGMLPBJW-UHFFFAOYSA-N 0 0 446.551 4.834 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)no2)cc1 ZINC000065111926 569107807 /nfs/dbraw/zinc/10/78/07/569107807.db2.gz SOCBPLYFLDWJGK-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN COc1ccccc1CNC(=O)CSc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134169 569110206 /nfs/dbraw/zinc/11/02/06/569110206.db2.gz GRMWAXSRLMNARU-UHFFFAOYSA-N 0 0 447.482 4.888 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000065136289 569110239 /nfs/dbraw/zinc/11/02/39/569110239.db2.gz PQNFCWNWMGOHIF-QHCPKHFHSA-N 0 0 448.611 4.676 50 0 IJAARN Cc1c(-c2nnc(C3CCC3)o2)c(S(=O)(=O)Nc2cccc(Cl)c2F)c(C)n1C ZINC000065194190 569114676 /nfs/dbraw/zinc/11/46/76/569114676.db2.gz XIYMLONFSWSQHM-UHFFFAOYSA-N 0 0 438.912 4.553 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)cc1 ZINC000065201296 569116245 /nfs/dbraw/zinc/11/62/45/569116245.db2.gz TUYQQUWSSLBUSI-UHFFFAOYSA-N 0 0 434.561 4.664 50 0 IJAARN CCCn1cc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2cccnc21 ZINC000065211858 569116571 /nfs/dbraw/zinc/11/65/71/569116571.db2.gz ZTVULJWAYVGLPY-UHFFFAOYSA-N 0 0 449.498 4.943 50 0 IJAARN CCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)n1 ZINC000036615975 569122651 /nfs/dbraw/zinc/12/26/51/569122651.db2.gz XXGXZIQDGKSRML-OAHLLOKOSA-N 0 0 428.540 4.622 50 0 IJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c3c(C)nn(C)c3n2)c1 ZINC000036615890 569122657 /nfs/dbraw/zinc/12/26/57/569122657.db2.gz XHWSUTICBIJVDX-UHFFFAOYSA-N 0 0 436.899 4.867 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)c1 ZINC000036613273 569123762 /nfs/dbraw/zinc/12/37/62/569123762.db2.gz YAZNPLDXILVVKJ-CQSZACIVSA-N 0 0 435.455 4.846 50 0 IJAARN COc1ccc(-c2cc(C(F)F)nc(NCCn3nc(C)c(Cl)c3C)n2)cc1OC ZINC000036613959 569123979 /nfs/dbraw/zinc/12/39/79/569123979.db2.gz SBDUKYSKMMDDGO-UHFFFAOYSA-N 0 0 437.878 4.677 50 0 IJAARN CCCCn1c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036614379 569124130 /nfs/dbraw/zinc/12/41/30/569124130.db2.gz LRDRYEFOPQEAPC-UHFFFAOYSA-N 0 0 437.443 4.711 50 0 IJAARN CN1c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2Sc2ncccc2C1=O ZINC000065258386 569124423 /nfs/dbraw/zinc/12/44/23/569124423.db2.gz IYFFUIRUWNPUTN-UHFFFAOYSA-N 0 0 445.422 4.974 50 0 IJAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258586 569124548 /nfs/dbraw/zinc/12/45/48/569124548.db2.gz FHJDGIHBFWFMJQ-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN CCOC(=O)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccc(C)cc1)CCCCC3 ZINC000036618865 569124612 /nfs/dbraw/zinc/12/46/12/569124612.db2.gz ZTEZOVAJHUYATM-QFIPXVFZSA-N 0 0 430.595 4.978 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(C)nc3ncnn32)sc(C)c1-c1cc(C)ccc1C ZINC000036619177 569124673 /nfs/dbraw/zinc/12/46/73/569124673.db2.gz FOECCRUSHPLTDV-UHFFFAOYSA-N 0 0 449.536 4.515 50 0 IJAARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000013147548 569125680 /nfs/dbraw/zinc/12/56/80/569125680.db2.gz QVVAQURUYQWTRZ-UHFFFAOYSA-N 0 0 449.381 4.778 50 0 IJAARN COC(=O)c1ccc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)cc1 ZINC000524731652 569126657 /nfs/dbraw/zinc/12/66/57/569126657.db2.gz GCPFYADLYYHCAQ-UHFFFAOYSA-N 0 0 432.384 4.716 50 0 biogenic IJAARN COc1ccc(OC)c(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)c1 ZINC000524732091 569126715 /nfs/dbraw/zinc/12/67/15/569126715.db2.gz WUDQBRQRNLOGIC-UHFFFAOYSA-N 0 0 434.400 4.947 50 0 biogenic IJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1 ZINC000065272305 569129018 /nfs/dbraw/zinc/12/90/18/569129018.db2.gz SHTCEJOWSUYZRN-UHFFFAOYSA-N 0 0 440.425 4.728 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4ccccc4C)CC3)sc12 ZINC000065299750 569132141 /nfs/dbraw/zinc/13/21/41/569132141.db2.gz KCOOKJHVKGHQGX-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)c4ccccc4C)CC3)sc12 ZINC000065299917 569132248 /nfs/dbraw/zinc/13/22/48/569132248.db2.gz FBTVHWPEKPCHDL-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN COc1cccc([C@H](C)NC(=O)c2cc3nc(N(C)C)n(-c4ccc(F)cc4)c3s2)c1 ZINC000065306739 569133372 /nfs/dbraw/zinc/13/33/72/569133372.db2.gz RQIQNXSDAMXTHV-AWEZNQCLSA-N 0 0 438.528 4.792 50 0 IJAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1OCC ZINC000065320361 569136140 /nfs/dbraw/zinc/13/61/40/569136140.db2.gz AZKGFQIJOPJCJH-FQEVSTJZSA-N 0 0 435.524 4.749 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000065320483 569136154 /nfs/dbraw/zinc/13/61/54/569136154.db2.gz PFYBKIPIKOQVTO-CKDFRHGISA-N 0 0 439.899 4.784 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)c1C ZINC000065320734 569136250 /nfs/dbraw/zinc/13/62/50/569136250.db2.gz ZMBFFQCSEABYQQ-IBGZPJMESA-N 0 0 429.517 4.635 50 0 IJAARN CCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(C)c(C)c1 ZINC000065329831 569136872 /nfs/dbraw/zinc/13/68/72/569136872.db2.gz SBYWRBLNCKITTO-UHFFFAOYSA-N 0 0 434.609 4.960 50 0 IJAARN O=C(CCc1ccccc1Br)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238828847 569137192 /nfs/dbraw/zinc/13/71/92/569137192.db2.gz FKLXRXQHRVKAAS-UHFFFAOYSA-N 0 0 439.353 5.000 50 0 IJAARN O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)C1(c2cccs2)CCCC1 ZINC000238824341 569137225 /nfs/dbraw/zinc/13/72/25/569137225.db2.gz DJOKRIVQLSQMPH-UHFFFAOYSA-N 0 0 426.611 4.797 50 0 IJAARN COc1ccc(C2(NC(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)CCCC2)cc1 ZINC000065565047 569139296 /nfs/dbraw/zinc/13/92/96/569139296.db2.gz LFTWXAREVXYQAU-UHFFFAOYSA-N 0 0 445.445 4.886 50 0 IJAARN Cc1cc(=O)c(C(=O)NC2(c3ccc(F)cc3)CCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000065584992 569139948 /nfs/dbraw/zinc/13/99/48/569139948.db2.gz XXCJVUQBJVJFCX-UHFFFAOYSA-N 0 0 445.416 4.508 50 0 IJAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1=O ZINC000037185736 569140668 /nfs/dbraw/zinc/14/06/68/569140668.db2.gz SGGLHCIGQDZJHU-YZGWKJHDSA-N 0 0 433.577 4.612 50 0 IJAARN CC(C)(C)c1ccc(-c2ccc(CNc3ccnc(C(=O)N4CCC(O)CC4)c3)o2)cc1 ZINC000170598163 569142224 /nfs/dbraw/zinc/14/22/24/569142224.db2.gz QGPIZHSUAIIXPY-UHFFFAOYSA-N 0 0 433.552 4.848 50 0 IJAARN O=C([C@@H]1C[C@@H]1c1cccnc1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000170607639 569144353 /nfs/dbraw/zinc/14/43/53/569144353.db2.gz KMGOHDMFTZAZMT-NHCUHLMSSA-N 0 0 443.385 4.672 50 0 IJAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000037276681 569145329 /nfs/dbraw/zinc/14/53/29/569145329.db2.gz GITFYRNFSYXQMS-KRWDZBQOSA-N 0 0 427.976 4.515 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccccc3F)ncn2)C[C@@H]1C ZINC000037285015 569145956 /nfs/dbraw/zinc/14/59/56/569145956.db2.gz GOHKGYIBXLZWFO-KRWDZBQOSA-N 0 0 435.503 4.713 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2)C(=O)NC1CC1 ZINC000037280734 569146052 /nfs/dbraw/zinc/14/60/52/569146052.db2.gz AWBVOBOLMLABHN-AOYPEHQESA-N 0 0 434.580 4.643 50 0 IJAARN COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3cc4cccc(OC)c4nc3Cl)C2)c1 ZINC000170615335 569146527 /nfs/dbraw/zinc/14/65/27/569146527.db2.gz AVEBZGUGDVRWIS-FQEVSTJZSA-N 0 0 439.899 4.612 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H](c1nccs1)c1ccccc1 ZINC000170621219 569147559 /nfs/dbraw/zinc/14/75/59/569147559.db2.gz HVEKWAZAOJJQHM-WMZOPIPTSA-N 0 0 429.954 4.505 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000009956175 569151325 /nfs/dbraw/zinc/15/13/25/569151325.db2.gz MHSQJSVTIBVAOS-DEOSSOPVSA-N 0 0 440.609 4.574 50 0 IJAARN CCCCn1c2ccccc2nc(CCC(=O)Nc2ccc(Br)c(C)c2)c1=O ZINC000009996211 569151345 /nfs/dbraw/zinc/15/13/45/569151345.db2.gz ZUKFRZGWSBTVNH-UHFFFAOYSA-N 0 0 442.357 4.839 50 0 IJAARN CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000010026935 569151635 /nfs/dbraw/zinc/15/16/35/569151635.db2.gz LPDCYHGNBLGWTK-HXUWFJFHSA-N 0 0 435.549 4.650 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c(O)c1 ZINC000010028001 569151773 /nfs/dbraw/zinc/15/17/73/569151773.db2.gz ISGVRVJAVLXMKJ-UHFFFAOYSA-N 0 0 434.876 4.546 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1[nH]c(C)c(C(C)=O)c1C)CC2 ZINC000010220028 569152833 /nfs/dbraw/zinc/15/28/33/569152833.db2.gz CJVZOJSVFGTEBU-HSZRJFAPSA-N 0 0 438.549 4.701 50 0 IJAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000010220702 569153063 /nfs/dbraw/zinc/15/30/63/569153063.db2.gz UKOWZPPNNZQYQY-UHFFFAOYSA-N 0 0 439.320 4.659 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(s1)c(Cl)ccc2Cl ZINC000010218372 569153511 /nfs/dbraw/zinc/15/35/11/569153511.db2.gz OUAMQZOMGSFBGL-UHFFFAOYSA-N 0 0 429.350 4.796 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 ZINC000010219052 569153586 /nfs/dbraw/zinc/15/35/86/569153586.db2.gz OOKWAPHQORFJBH-UHFFFAOYSA-N 0 0 426.972 4.718 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000013323939 569155035 /nfs/dbraw/zinc/15/50/35/569155035.db2.gz UTZBRMFQQNYKCH-UHFFFAOYSA-N 0 0 428.564 4.612 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578851 569156024 /nfs/dbraw/zinc/15/60/24/569156024.db2.gz NVYZKSUVXLTQQX-MRXNPFEDSA-N 0 0 440.326 4.588 50 0 IJAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000013578960 569156026 /nfs/dbraw/zinc/15/60/26/569156026.db2.gz WQUYWOXVNRTILD-UHFFFAOYSA-N 0 0 449.532 4.690 50 0 IJAARN Cc1cc(Cl)cc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000013579833 569156301 /nfs/dbraw/zinc/15/63/01/569156301.db2.gz YQMDNEBRWRFRHD-BGYRXZFFSA-N 0 0 440.952 4.835 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000250575499 569157257 /nfs/dbraw/zinc/15/72/57/569157257.db2.gz JWNPCDKHMFVPGA-RLWLMLJZSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1C ZINC000016840365 569163109 /nfs/dbraw/zinc/16/31/09/569163109.db2.gz RNTXNQFWTDXNGJ-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCc1ccc(F)cc1 ZINC000016849177 569164514 /nfs/dbraw/zinc/16/45/14/569164514.db2.gz PSXOEOQMXQEDBD-UHFFFAOYSA-N 0 0 446.935 4.871 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 ZINC000016849285 569164527 /nfs/dbraw/zinc/16/45/27/569164527.db2.gz KZUGJQMQSPNRDK-QGZVFWFLSA-N 0 0 428.602 4.667 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000016891293 569165765 /nfs/dbraw/zinc/16/57/65/569165765.db2.gz BCFJHHKVTVDGLP-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN FC(F)(F)c1cc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)nc(-c2cccnc2)n1 ZINC000089851320 569166226 /nfs/dbraw/zinc/16/62/26/569166226.db2.gz XOQLJCBHGOGAOL-MRXNPFEDSA-N 0 0 437.429 4.684 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)c1nnc2n1CCCC2 ZINC000089913828 569167364 /nfs/dbraw/zinc/16/73/64/569167364.db2.gz FWUWPXCSANGYHD-OAHLLOKOSA-N 0 0 431.471 4.567 50 0 IJAARN COc1ccc(-c2nc3scc(CCNC(=O)c4ccc5ccccc5c4)n3n2)cc1 ZINC000016954876 569167560 /nfs/dbraw/zinc/16/75/60/569167560.db2.gz HMIOXPBOBDJQIZ-UHFFFAOYSA-N 0 0 428.517 4.592 50 0 IJAARN Cc1cc(NC(=O)CCC2CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017011844 569170507 /nfs/dbraw/zinc/17/05/07/569170507.db2.gz NIOPDEGYXBIPDZ-UHFFFAOYSA-N 0 0 449.946 4.872 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)C[C@@H]1C ZINC000037356068 569171400 /nfs/dbraw/zinc/17/14/00/569171400.db2.gz GLUOCYRBLWYKPP-SFHVURJKSA-N 0 0 436.943 4.890 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cc1 ZINC000017050988 569171787 /nfs/dbraw/zinc/17/17/87/569171787.db2.gz KMAQEIDTKDTQFY-UHFFFAOYSA-N 0 0 437.569 4.628 50 0 IJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4cccs4)[C@H](C)C3)ncn2)ccc1Cl ZINC000037356125 569171792 /nfs/dbraw/zinc/17/17/92/569171792.db2.gz JGRVNEKSPTYYLA-OAHLLOKOSA-N 0 0 428.945 4.643 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)/C=C/c4ccccc4)[C@H](C)C3)ncn2)c1 ZINC000037356358 569172187 /nfs/dbraw/zinc/17/21/87/569172187.db2.gz VWGUQDGSJCBJRZ-SINXNMPMSA-N 0 0 448.954 4.981 50 0 IJAARN Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=S)Nc3ccccc3)cc2)s1 ZINC000017096651 569173148 /nfs/dbraw/zinc/17/31/48/569173148.db2.gz GYGZXLGECAQNNB-LBPRGKRZSA-N 0 0 429.596 4.775 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)NC1CCCCC1 ZINC000037357101 569173161 /nfs/dbraw/zinc/17/31/61/569173161.db2.gz FXFBUQNKOODNMH-OAHLLOKOSA-N 0 0 447.942 4.614 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000017112945 569174118 /nfs/dbraw/zinc/17/41/18/569174118.db2.gz BPCLEZCBBZPRBP-UHFFFAOYSA-N 0 0 443.594 4.514 50 0 IJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3cccc(C(F)(F)F)c3)n2n1 ZINC000017136125 569174484 /nfs/dbraw/zinc/17/44/84/569174484.db2.gz HMPCVVRDUWCFNF-UHFFFAOYSA-N 0 0 430.455 4.758 50 0 IJAARN O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000017169621 569175238 /nfs/dbraw/zinc/17/52/38/569175238.db2.gz JTGAPMTVCFCVHL-UHFFFAOYSA-N 0 0 436.533 4.552 50 0 IJAARN O=C(COc1cccc2ccc(N3CCCC3)nc21)Nc1ccc(Br)cc1 ZINC000017170548 569175527 /nfs/dbraw/zinc/17/55/27/569175527.db2.gz UEWXJCJQTJPGCC-UHFFFAOYSA-N 0 0 426.314 4.615 50 0 IJAARN Cc1cccc(-n2nc3nc(NC[C@@H]4CCCO4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037358568 569176124 /nfs/dbraw/zinc/17/61/24/569176124.db2.gz HYZRFZKYPGKWDV-SFHVURJKSA-N 0 0 434.931 4.617 50 0 IJAARN COCCNc1nc2nn(-c3ccc(Cl)c(Cl)c3)c(N)c2c(-c2ccccc2F)n1 ZINC000037358319 569176138 /nfs/dbraw/zinc/17/61/38/569176138.db2.gz XPWGBMIZEMVQNA-UHFFFAOYSA-N 0 0 447.301 4.569 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c32)C1 ZINC000000936978 569176338 /nfs/dbraw/zinc/17/63/38/569176338.db2.gz TXHOCEZDVDPEPU-KRWDZBQOSA-N 0 0 435.593 4.588 50 0 IJAARN COc1cc(CO)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000001112822 569176736 /nfs/dbraw/zinc/17/67/36/569176736.db2.gz DBBHKCZZWPXBSP-UHFFFAOYSA-N 0 0 439.076 4.678 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000170636629 569178087 /nfs/dbraw/zinc/17/80/87/569178087.db2.gz LEPYHODAFWLRIT-FQEVSTJZSA-N 0 0 425.326 4.519 50 0 IJAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170636590 569178093 /nfs/dbraw/zinc/17/80/93/569178093.db2.gz ZMGGWKNGKORATN-QRQLOZEOSA-N 0 0 434.330 4.507 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002094050 569179056 /nfs/dbraw/zinc/17/90/56/569179056.db2.gz JKKDQHHUAFRPMQ-LJQANCHMSA-N 0 0 427.500 4.976 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c12 ZINC000002094297 569179060 /nfs/dbraw/zinc/17/90/60/569179060.db2.gz GXAKHDYSYMYRGR-INIZCTEOSA-N 0 0 449.569 4.606 50 0 biogenic IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OCc3ccccc3)ccc12 ZINC000002096433 569179325 /nfs/dbraw/zinc/17/93/25/569179325.db2.gz ZAMQRCWLWRIIQV-UHFFFAOYSA-N 0 0 437.492 4.666 50 0 biogenic IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000000976120 569180441 /nfs/dbraw/zinc/18/04/41/569180441.db2.gz JZZHVPWZTNLFJB-QGZVFWFLSA-N 0 0 443.532 4.651 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000001474824 569180570 /nfs/dbraw/zinc/18/05/70/569180570.db2.gz ZXUXIMQWAADESJ-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000002265613 569180664 /nfs/dbraw/zinc/18/06/64/569180664.db2.gz UEDLNVILDAKDBN-UHFFFAOYSA-N 0 0 427.595 4.650 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccn1 ZINC000002427959 569180772 /nfs/dbraw/zinc/18/07/72/569180772.db2.gz SCVVHWUUKSNHIK-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN CCCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)C1=O ZINC000002107511 569181359 /nfs/dbraw/zinc/18/13/59/569181359.db2.gz BVZKBNPYHCIANB-OZXSUGGESA-N 0 0 429.564 4.742 50 0 biogenic IJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCc1cccnc1)nc2-c1ccccc1F ZINC000037360146 569181429 /nfs/dbraw/zinc/18/14/29/569181429.db2.gz MLQHMRXAWXVLCK-UHFFFAOYSA-N 0 0 445.889 4.864 50 0 IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCc1ccccc1)nc2-c1cccc(F)c1 ZINC000037361003 569181576 /nfs/dbraw/zinc/18/15/76/569181576.db2.gz JQQLXYHWRKWMFR-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C ZINC000002118282 569182539 /nfs/dbraw/zinc/18/25/39/569182539.db2.gz RRHIZLCOQXUPFO-RDGATRHJSA-N 0 0 442.515 4.752 50 0 biogenic IJAARN O=C(c1ccc2ccccc2c1)N1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1 ZINC000037376982 569185657 /nfs/dbraw/zinc/18/56/57/569185657.db2.gz AYGXKUGXKJLUGX-UHFFFAOYSA-N 0 0 446.457 4.663 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2sc(C)c(C)c2c1=O ZINC000002522445 569185759 /nfs/dbraw/zinc/18/57/59/569185759.db2.gz JVGXXQYSDZOYOW-UHFFFAOYSA-N 0 0 441.500 4.844 50 0 IJAARN Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)n1 ZINC000208012177 569186139 /nfs/dbraw/zinc/18/61/39/569186139.db2.gz ZNJVLGUGCDUROR-OAHLLOKOSA-N 0 0 434.496 4.681 50 0 IJAARN O=C1CN(Cc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002149603 569187193 /nfs/dbraw/zinc/18/71/93/569187193.db2.gz KKIINULLBYYNGX-FTJBHMTQSA-N 0 0 449.554 4.638 50 0 biogenic IJAARN CCCCCN1CC(=O)N2[C@@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002150207 569187199 /nfs/dbraw/zinc/18/71/99/569187199.db2.gz MTJZDILDVUINMG-ZEQRLZLVSA-N 0 0 429.564 4.628 50 0 biogenic IJAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C[C@@H]1COc2ccccc2O1 ZINC000252523256 569189586 /nfs/dbraw/zinc/18/95/86/569189586.db2.gz CEUNOOFTTSORSQ-OAHLLOKOSA-N 0 0 439.924 4.865 50 0 IJAARN O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1C[C@H](O)c1ccccc1C(F)(F)F ZINC000170652033 569189910 /nfs/dbraw/zinc/18/99/10/569189910.db2.gz DXXZLVMEBWUZIW-FQEVSTJZSA-N 0 0 437.421 4.725 50 0 IJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 ZINC000027333057 569190517 /nfs/dbraw/zinc/19/05/17/569190517.db2.gz RJMLLTOUKWBUBI-UHFFFAOYSA-N 0 0 441.516 4.910 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000002197373 569191460 /nfs/dbraw/zinc/19/14/60/569191460.db2.gz QXSRTCIFAIWKCN-UHFFFAOYSA-N 0 0 446.504 4.581 50 0 IJAARN O=C(CCN(Cc1ccccc1)c1nc(C2CC2)nc2ccccc21)NCc1ccco1 ZINC000037384165 569192087 /nfs/dbraw/zinc/19/20/87/569192087.db2.gz DXVGHFXPAMRTFQ-UHFFFAOYSA-N 0 0 426.520 4.813 50 0 IJAARN O=C(CCN(CCc1ccccc1)c1nc(C2CC2)nc2ccccc21)NCc1ccco1 ZINC000037384181 569192096 /nfs/dbraw/zinc/19/20/96/569192096.db2.gz CSJALVOCTMWROF-UHFFFAOYSA-N 0 0 440.547 4.856 50 0 IJAARN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)Nc3ccccc3C)c2)n1 ZINC000037384886 569192290 /nfs/dbraw/zinc/19/22/90/569192290.db2.gz HCATXRIBEJNOQG-UHFFFAOYSA-N 0 0 429.480 4.904 50 0 IJAARN COCCNC(=O)c1ccc(Cn2c(Cc3ccccc3)nc3cc(C)c(C)cc32)cc1 ZINC000037398257 569193822 /nfs/dbraw/zinc/19/38/22/569193822.db2.gz LTALCTRKMAXZRY-UHFFFAOYSA-N 0 0 427.548 4.668 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)C(C)C)nn32)cc1 ZINC000002209272 569194092 /nfs/dbraw/zinc/19/40/92/569194092.db2.gz JCCIPEXPRXLJRT-OALUTQOASA-N 0 0 425.920 4.681 50 0 IJAARN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000037399159 569194278 /nfs/dbraw/zinc/19/42/78/569194278.db2.gz GIHXFGKGCQBMKV-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N(CCC(=O)NCC(C)C)Cc3ccco3)cs2)c1 ZINC000037426420 569195720 /nfs/dbraw/zinc/19/57/20/569195720.db2.gz HREVSIOJWLPXEE-UHFFFAOYSA-N 0 0 440.569 4.593 50 0 IJAARN Cc1s/c(=N\C(=O)c2ccc(C)cc2)n(Cc2ccccc2C(=O)N2CCCC2)c1C ZINC000037428236 569196035 /nfs/dbraw/zinc/19/60/35/569196035.db2.gz XURIZAKYPSWJTL-QPLCGJKRSA-N 0 0 433.577 4.500 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3cccc(F)c3)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000037441585 569196857 /nfs/dbraw/zinc/19/68/57/569196857.db2.gz XLXBUCXTDQJKJA-HSZRJFAPSA-N 0 0 436.458 4.809 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1cccs1 ZINC000037443133 569196994 /nfs/dbraw/zinc/19/69/94/569196994.db2.gz FYYYOKPPEHWTGJ-DLYSWHJUSA-N 0 0 441.622 4.874 50 0 IJAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037442119 569197061 /nfs/dbraw/zinc/19/70/61/569197061.db2.gz JEYSFLGWVDYKHX-SFHVURJKSA-N 0 0 443.931 4.572 50 0 IJAARN C[C@@H]1C(=O)N(c2cccc(Br)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037522766 569198375 /nfs/dbraw/zinc/19/83/75/569198375.db2.gz MVTHTXIUDYDSHO-LLVKDONJSA-N 0 0 442.140 4.633 50 0 IJAARN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1)C1CCCCC1 ZINC000037525520 569198815 /nfs/dbraw/zinc/19/88/15/569198815.db2.gz VOTOIOVEBAFHTI-UHFFFAOYSA-N 0 0 425.598 4.552 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1 ZINC000037524935 569198847 /nfs/dbraw/zinc/19/88/47/569198847.db2.gz KYNFWZMTTVIUAN-UHFFFAOYSA-N 0 0 447.604 4.809 50 0 IJAARN CC(C)N(C)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000037524572 569198873 /nfs/dbraw/zinc/19/88/73/569198873.db2.gz IPPZEIHSWPOWGD-UHFFFAOYSA-N 0 0 447.501 4.585 50 0 IJAARN CC[C@@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000037525543 569198880 /nfs/dbraw/zinc/19/88/80/569198880.db2.gz OIRILLUQUVDXJJ-OFNKIYASSA-N 0 0 435.612 4.741 50 0 IJAARN COc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4F)c3)C2=O)cc1 ZINC000037543956 569199631 /nfs/dbraw/zinc/19/96/31/569199631.db2.gz MTBLSJZMWQREEL-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1 ZINC000037545890 569199749 /nfs/dbraw/zinc/19/97/49/569199749.db2.gz QLVLYFLXVDHBAO-RPBOFIJWSA-N 0 0 427.548 4.666 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2C)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037546987 569199841 /nfs/dbraw/zinc/19/98/41/569199841.db2.gz DUOXDFUFVNRBQK-OAQYLSRUSA-N 0 0 437.515 4.648 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037546769 569200194 /nfs/dbraw/zinc/20/01/94/569200194.db2.gz CAJFTEXLPOKNPH-IBGZPJMESA-N 0 0 437.515 4.648 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000037554082 569200356 /nfs/dbraw/zinc/20/03/56/569200356.db2.gz HOFUVAPLDTWWAO-UHFFFAOYSA-N 0 0 439.559 4.608 50 0 IJAARN COCCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037555406 569200605 /nfs/dbraw/zinc/20/06/05/569200605.db2.gz XHXMDYUVPGCWDS-DTQAZKPQSA-N 0 0 442.559 4.547 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC[C@H]2CCCO2)cc1 ZINC000037557319 569200694 /nfs/dbraw/zinc/20/06/94/569200694.db2.gz YAHFXUNIVCOWGE-RUZDIDTESA-N 0 0 442.559 4.680 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1)NCC1CC1 ZINC000037600702 569202357 /nfs/dbraw/zinc/20/23/57/569202357.db2.gz ZPDBBNQQJWMBEB-UHFFFAOYSA-N 0 0 434.486 4.881 50 0 IJAARN O=c1c(=Cc2cccs2)sc2n1[C@@H](c1cccc(F)c1)C1=C(N=2)c2ccccc2CC1 ZINC000252669083 569209844 /nfs/dbraw/zinc/20/98/44/569209844.db2.gz GLAIUMPUYUSBGA-QHCPKHFHSA-N 0 0 444.556 4.519 50 0 IJAARN C[C@H](COc1ccccc1)COc1ccccc1C=c1sc2nc3ccccc3n2c1=O ZINC000252675587 569210274 /nfs/dbraw/zinc/21/02/74/569210274.db2.gz ULNKMOKKYYFWLS-GOSISDBHSA-N 0 0 442.540 4.551 50 0 IJAARN Cc1ccc(OCCCOc2cccc(C=c3sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000252677773 569210549 /nfs/dbraw/zinc/21/05/49/569210549.db2.gz ZTRIMUHKUARGBY-UHFFFAOYSA-N 0 0 442.540 4.613 50 0 IJAARN CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002263677 569216061 /nfs/dbraw/zinc/21/60/61/569216061.db2.gz KDYGFVYJNDZNNA-DYESRHJHSA-N 0 0 429.586 4.885 50 0 IJAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCCCO)n1 ZINC000002263536 569216109 /nfs/dbraw/zinc/21/61/09/569216109.db2.gz CGJPOQYLZVQEFO-UHFFFAOYSA-N 0 0 432.615 4.730 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1OC ZINC000002253934 569216675 /nfs/dbraw/zinc/21/66/75/569216675.db2.gz HGNUEJHNYAKQGS-XZOQPEGZSA-N 0 0 444.516 4.570 50 0 IJAARN CCCCCCNC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002273879 569217797 /nfs/dbraw/zinc/21/77/97/569217797.db2.gz SOUZXTJRERQJEH-UHFFFAOYSA-N 0 0 431.540 4.534 50 0 IJAARN Cc1c(C)c(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000253387629 569264138 /nfs/dbraw/zinc/26/41/38/569264138.db2.gz IYYDQBFLZMIPAK-QAQDUYKDSA-N 0 0 429.513 4.646 50 0 biogenic IJAARN COc1cc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)ccc1O ZINC000253407393 569265477 /nfs/dbraw/zinc/26/54/77/569265477.db2.gz JVOQXGBNVYPGTM-GOSISDBHSA-N 0 0 428.440 4.924 50 0 biogenic IJAARN Cn1cc(-c2nc(C(=O)O[C@H]3CC(C)(C)Oc4ccc(Br)cc43)cs2)cn1 ZINC000253429960 569267495 /nfs/dbraw/zinc/26/74/95/569267495.db2.gz HKGUXIQKEPVBMR-INIZCTEOSA-N 0 0 448.342 4.765 50 0 IJAARN O=C(NCc1noc(-c2ccc(Cl)cc2F)n1)Nc1ccccc1OCC(F)(F)F ZINC000253432577 569269171 /nfs/dbraw/zinc/26/91/71/569269171.db2.gz LJAOBTXDDGCPEM-UHFFFAOYSA-N 0 0 444.772 4.792 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 ZINC000002306511 569271873 /nfs/dbraw/zinc/27/18/73/569271873.db2.gz IBEGUUOFCQVJMK-AWEZNQCLSA-N 0 0 428.579 4.851 50 0 IJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000002369121 569288827 /nfs/dbraw/zinc/28/88/27/569288827.db2.gz XGLUTMZRSWGMAA-UHFFFAOYSA-N 0 0 448.935 4.701 50 0 IJAARN COc1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000002376518 569289384 /nfs/dbraw/zinc/28/93/84/569289384.db2.gz YMOBXJJLYXBYPI-YUDQIZAISA-N 0 0 433.485 4.714 50 0 IJAARN CCc1ccc(CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002382017 569292676 /nfs/dbraw/zinc/29/26/76/569292676.db2.gz YXZIUBPXVAYUEU-AIIPKAINSA-N 0 0 439.621 4.776 50 0 IJAARN COc1ccc(C)cc1-n1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000002383479 569293947 /nfs/dbraw/zinc/29/39/47/569293947.db2.gz VLWRMFXRBQWEQI-UHFFFAOYSA-N 0 0 430.508 4.962 50 0 IJAARN COCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002391435 569297887 /nfs/dbraw/zinc/29/78/87/569297887.db2.gz PEPXRVLBUBSAHT-UHFFFAOYSA-N 0 0 432.615 4.994 50 0 IJAARN COc1cc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc(OC)c1OC ZINC000002397211 569298609 /nfs/dbraw/zinc/29/86/09/569298609.db2.gz PNHLEWPLGWUBNN-UHFFFAOYSA-N 0 0 434.496 4.519 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(NC(=O)Cc4ccccc4)nn32)cc1 ZINC000002404421 569299976 /nfs/dbraw/zinc/29/99/76/569299976.db2.gz XKETUDOVGBFJGT-XZOQPEGZSA-N 0 0 439.519 4.614 50 0 IJAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C[C@H](c2ccccc2)N3)cc1 ZINC000002419506 569301758 /nfs/dbraw/zinc/30/17/58/569301758.db2.gz RWTJWDGNESMYHL-PKTZIBPZSA-N 0 0 439.519 4.614 50 0 IJAARN CCOc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002423221 569302230 /nfs/dbraw/zinc/30/22/30/569302230.db2.gz LQZLEYHJJPLVBB-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)s1 ZINC000002428336 569302740 /nfs/dbraw/zinc/30/27/40/569302740.db2.gz DWUVKDQBLKAGLM-LJQANCHMSA-N 0 0 435.480 4.732 50 0 IJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000002449430 569304699 /nfs/dbraw/zinc/30/46/99/569304699.db2.gz SDBGEESKHKMDNP-UHFFFAOYSA-N 0 0 444.347 4.912 50 0 IJAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O ZINC000013005023 569306232 /nfs/dbraw/zinc/30/62/32/569306232.db2.gz CUYIQPWBHQBIAG-IBGZPJMESA-N 0 0 427.715 4.883 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000013017391 569307153 /nfs/dbraw/zinc/30/71/53/569307153.db2.gz JOKZWPZCVFSKOU-HXUWFJFHSA-N 0 0 433.533 4.768 50 0 IJAARN O=S(=O)(Nc1ccccc1Cl)c1cccc(NC(=S)NCc2cccs2)c1 ZINC000013040362 569307962 /nfs/dbraw/zinc/30/79/62/569307962.db2.gz FJQSKNKAEKDTDV-UHFFFAOYSA-N 0 0 437.999 4.689 50 0 IJAARN CCN(CC(=O)NCc1ccc(Cl)cc1Cl)CC(=O)Nc1cc(Cl)ccc1C ZINC000013055634 569308228 /nfs/dbraw/zinc/30/82/28/569308228.db2.gz BBDILBFLOGWSGY-UHFFFAOYSA-N 0 0 442.774 4.532 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 ZINC000013041794 569308277 /nfs/dbraw/zinc/30/82/77/569308277.db2.gz UFGWXJMOZJCFDH-UHFFFAOYSA-N 0 0 443.594 4.610 50 0 IJAARN CC(C)CC(=O)Nc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC000013059283 569308524 /nfs/dbraw/zinc/30/85/24/569308524.db2.gz QZFBTKBOJAOEGI-UHFFFAOYSA-N 0 0 445.544 4.993 50 0 IJAARN O=C(Nc1ccccc1I)c1cc(Br)ccc1Cl ZINC000013058774 569308529 /nfs/dbraw/zinc/30/85/29/569308529.db2.gz RAPPBKLHPXUFCI-UHFFFAOYSA-N 0 0 436.474 4.959 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000013096444 569309597 /nfs/dbraw/zinc/30/95/97/569309597.db2.gz LGZJUABHDKVPLC-LAUBAEHRSA-N 0 0 444.597 4.928 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000013102787 569310157 /nfs/dbraw/zinc/31/01/57/569310157.db2.gz KWYYTAXZNAYOCL-UHFFFAOYSA-N 0 0 429.473 4.563 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)N1CCCC1 ZINC000013112984 569310553 /nfs/dbraw/zinc/31/05/53/569310553.db2.gz XCUGMZZZYDRZDP-QGZVFWFLSA-N 0 0 438.597 4.987 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccncc1 ZINC000013113161 569310590 /nfs/dbraw/zinc/31/05/90/569310590.db2.gz RYWXGHKZKDBZQG-AWEZNQCLSA-N 0 0 436.566 4.603 50 0 IJAARN CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 ZINC000013114890 569310799 /nfs/dbraw/zinc/31/07/99/569310799.db2.gz DNKQNATWOHYEIF-UHFFFAOYSA-N 0 0 426.563 4.794 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000013116905 569310848 /nfs/dbraw/zinc/31/08/48/569310848.db2.gz KLQYFWCJJXNYHI-HNNXBMFYSA-N 0 0 441.984 4.776 50 0 IJAARN O=C([C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000013117954 569311043 /nfs/dbraw/zinc/31/10/43/569311043.db2.gz LLUGWEJSKJXBFX-OAQYLSRUSA-N 0 0 429.549 4.661 50 0 IJAARN O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccs1 ZINC000013120785 569311143 /nfs/dbraw/zinc/31/11/43/569311143.db2.gz JROIOXMOKUJDTF-PXDATVDWSA-N 0 0 431.561 4.533 50 0 IJAARN Cc1cc(C)n2nc(SCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)nc2n1 ZINC000013137598 569311496 /nfs/dbraw/zinc/31/14/96/569311496.db2.gz QKJBEIGYGDGTTJ-UHFFFAOYSA-N 0 0 439.928 4.918 50 0 IJAARN CCN(C(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC)CCCC3)c1ccccc1 ZINC000013137906 569311624 /nfs/dbraw/zinc/31/16/24/569311624.db2.gz OMZAOZQRBULFPZ-OAHLLOKOSA-N 0 0 441.622 4.890 50 0 IJAARN Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)c1 ZINC000002456531 569312719 /nfs/dbraw/zinc/31/27/19/569312719.db2.gz BDDZVLDVZORXNH-XMMPIXPASA-N 0 0 449.348 4.870 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)c(C)c1 ZINC000013361109 569314002 /nfs/dbraw/zinc/31/40/02/569314002.db2.gz XKOROBNUMRKHAU-UHFFFAOYSA-N 0 0 445.544 4.850 50 0 IJAARN O=C(NCCc1ccccc1)c1nnc([C@H](Nc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000013364325 569314236 /nfs/dbraw/zinc/31/42/36/569314236.db2.gz HYJYODFFHRRXFT-OAQYLSRUSA-N 0 0 432.911 4.897 50 0 IJAARN Cc1csc2nc(COc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc(=O)n12 ZINC000013368384 569314600 /nfs/dbraw/zinc/31/46/00/569314600.db2.gz KIMBYYIFLVWOLV-UHFFFAOYSA-N 0 0 449.576 4.798 50 0 IJAARN CO[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O)C[C@@H]5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O)C5(C)C)O1 ZINC000070664908 569315217 /nfs/dbraw/zinc/31/52/17/569315217.db2.gz RNNKNCIBOJGMFI-MXPABRNTSA-N 0 0 432.645 4.765 50 0 biogenic IJAARN COc1cccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccccc2C)c1OC ZINC000328596893 569317998 /nfs/dbraw/zinc/31/79/98/569317998.db2.gz BHUKUYSWHZTYJI-NRFANRHFSA-N 0 0 436.533 4.552 50 0 IJAARN CCN(C(=O)c1ccc(F)cc1I)[C@@H](C)Cc1ccc(OC)cc1 ZINC000078720295 569318577 /nfs/dbraw/zinc/31/85/77/569318577.db2.gz XSKNFWYTEQOJPS-ZDUSSCGKSA-N 0 0 441.284 4.532 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000078899534 569320127 /nfs/dbraw/zinc/32/01/27/569320127.db2.gz BXTINWHQEANDJM-UHFFFAOYSA-N 0 0 432.406 4.750 50 0 IJAARN CCOC(=O)c1nc(-c2ccccc2)oc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000078950642 569320426 /nfs/dbraw/zinc/32/04/26/569320426.db2.gz XKFOCZBZYIULLE-UHFFFAOYSA-N 0 0 444.274 4.583 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000079019541 569322322 /nfs/dbraw/zinc/32/23/22/569322322.db2.gz GMGGIYVEFMTCBI-NRFANRHFSA-N 0 0 443.551 4.724 50 0 IJAARN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000079102597 569325491 /nfs/dbraw/zinc/32/54/91/569325491.db2.gz HJYGUJINQJRGME-SJORKVTESA-N 0 0 431.602 4.771 50 0 IJAARN CCOc1ccc(-c2nc(CC(=O)N(C)Cc3cc(Br)cn3C)cs2)cc1 ZINC000079102726 569325511 /nfs/dbraw/zinc/32/55/11/569325511.db2.gz HINIIQMPATWDCZ-UHFFFAOYSA-N 0 0 448.386 4.511 50 0 IJAARN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccco1)CC(=O)O3 ZINC000079192331 569328024 /nfs/dbraw/zinc/32/80/24/569328024.db2.gz RWCVMLCYBFWAQS-HGRMNHJNSA-N 0 0 438.476 4.908 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccccc2OC)cc1 ZINC000079191168 569328032 /nfs/dbraw/zinc/32/80/32/569328032.db2.gz WCMVYNKTKQQHLV-QGZVFWFLSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019793455 569329394 /nfs/dbraw/zinc/32/93/94/569329394.db2.gz DJETZAIELROOFP-UHFFFAOYSA-N 0 0 441.550 4.883 50 0 IJAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Br)cc1 ZINC000019810370 569329881 /nfs/dbraw/zinc/32/98/81/569329881.db2.gz NNTTXWIZCSSFNL-UHFFFAOYSA-N 0 0 425.208 4.609 50 0 IJAARN CCOC(=O)C(C)(C)Oc1ccc(/C=C2\Oc3c(c(OC)cc(OC)c3Cl)C2=O)cc1 ZINC000019851026 569330467 /nfs/dbraw/zinc/33/04/67/569330467.db2.gz PQBZHUJYZBRYTM-BOPFTXTBSA-N 0 0 446.883 4.694 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002463368 569331811 /nfs/dbraw/zinc/33/18/11/569331811.db2.gz DNZCJNGTXAWUIC-KUHUBIRLSA-N 0 0 426.925 4.732 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1 ZINC000020069410 569333319 /nfs/dbraw/zinc/33/33/19/569333319.db2.gz GZTBWWLAIIJJBX-UHFFFAOYSA-N 0 0 436.581 4.996 50 0 IJAARN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000020073459 569333712 /nfs/dbraw/zinc/33/37/12/569333712.db2.gz NXTQGVMJTYQGRT-LZYBPNLTSA-N 0 0 437.304 4.886 50 0 IJAARN Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000020139010 569336069 /nfs/dbraw/zinc/33/60/69/569336069.db2.gz INTYKINONKQDRD-UHFFFAOYSA-N 0 0 430.451 4.898 50 0 IJAARN Cc1ccc(Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)c(C)c1 ZINC000020138971 569336100 /nfs/dbraw/zinc/33/61/00/569336100.db2.gz GQFMKZOIJIKBCB-UHFFFAOYSA-N 0 0 430.451 4.898 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCc1cccnc1 ZINC000020181005 569355268 /nfs/dbraw/zinc/35/52/68/569355268.db2.gz KPCQEQGMNHVWFK-CIAFOILYSA-N 0 0 435.936 4.531 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 ZINC000020280271 569358604 /nfs/dbraw/zinc/35/86/04/569358604.db2.gz ZZHOMFMVHWPQKP-UHFFFAOYSA-N 0 0 437.348 4.893 50 0 IJAARN Cn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc21 ZINC000020280252 569358610 /nfs/dbraw/zinc/35/86/10/569358610.db2.gz WBJBJWPQSAFVSK-UHFFFAOYSA-N 0 0 426.847 4.942 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000095348893 569361666 /nfs/dbraw/zinc/36/16/66/569361666.db2.gz WVAJXSAWWUEJHI-JTHBVZDNSA-N 0 0 432.545 4.794 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC1=CCCCC1 ZINC000020417010 569364835 /nfs/dbraw/zinc/36/48/35/569364835.db2.gz VIDPIOHHRJTMNV-UHFFFAOYSA-N 0 0 432.568 4.591 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000020417643 569365032 /nfs/dbraw/zinc/36/50/32/569365032.db2.gz MNMXZRZJDIUVSE-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417932 569365064 /nfs/dbraw/zinc/36/50/64/569365064.db2.gz OQKZWKUKZWJDCW-DEOSSOPVSA-N 0 0 439.895 4.748 50 0 IJAARN Cc1ncc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c(Br)c1Cl ZINC000095444715 569367094 /nfs/dbraw/zinc/36/70/94/569367094.db2.gz FZTWWSNPAXCINW-UHFFFAOYSA-N 0 0 434.721 4.967 50 0 IJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)NCC2([C@H](C)CCO)CCC2)s1 ZINC000095463544 569370333 /nfs/dbraw/zinc/37/03/33/569370333.db2.gz HUMXQBSPQLFXDE-CQSZACIVSA-N 0 0 445.610 4.804 50 0 IJAARN Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)s1 ZINC000095466963 569371070 /nfs/dbraw/zinc/37/10/70/569371070.db2.gz QGSXRZATTFJZDX-HNNXBMFYSA-N 0 0 429.567 4.610 50 0 IJAARN CCc1ccc([C@@H](C)NC(=O)C2(Br)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095469459 569371573 /nfs/dbraw/zinc/37/15/73/569371573.db2.gz DMPWKRGPMPVGLI-OAHLLOKOSA-N 0 0 439.394 4.591 50 0 IJAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095473893 569372492 /nfs/dbraw/zinc/37/24/92/569372492.db2.gz CSBAVUKGVUODGZ-INIZCTEOSA-N 0 0 446.908 4.692 50 0 IJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475025 569372609 /nfs/dbraw/zinc/37/26/09/569372609.db2.gz OJAXOPYCUPNWGW-DJJJIMSYSA-N 0 0 447.557 4.631 50 0 IJAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000095482455 569374285 /nfs/dbraw/zinc/37/42/85/569374285.db2.gz XRRGXYKAOVMKAO-GOSISDBHSA-N 0 0 444.329 4.624 50 0 IJAARN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000095482400 569374358 /nfs/dbraw/zinc/37/43/58/569374358.db2.gz BHZQKDHVGYPNGX-KRWDZBQOSA-N 0 0 444.329 4.590 50 0 IJAARN O=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000095953833 569376657 /nfs/dbraw/zinc/37/66/57/569376657.db2.gz MJEZNMIOCCMIBI-DOTOQJQBSA-N 0 0 437.842 4.697 50 0 IJAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)Cc3ccc(C)c(O)c3)cc2Cl)n1 ZINC000095993617 569378436 /nfs/dbraw/zinc/37/84/36/569378436.db2.gz HXKSZBVLWQEIKU-INIZCTEOSA-N 0 0 440.931 4.548 50 0 IJAARN CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c2cccc(Cl)c2O1 ZINC000096009845 569379638 /nfs/dbraw/zinc/37/96/38/569379638.db2.gz OZJWMJDZOKFNFM-MRXNPFEDSA-N 0 0 433.957 4.874 50 0 IJAARN C[C@H](Cc1cccs1)C(=O)Nc1ccccc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096011781 569379917 /nfs/dbraw/zinc/37/99/17/569379917.db2.gz BZQYVHIFEWGOOC-SJORKVTESA-N 0 0 429.586 4.987 50 0 IJAARN Cc1cc(Br)cc(I)c1NC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000096013048 569380143 /nfs/dbraw/zinc/38/01/43/569380143.db2.gz WGFKIMCTANJRTM-QWRGUYRKSA-N 0 0 449.130 4.626 50 0 IJAARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119743 569384792 /nfs/dbraw/zinc/38/47/92/569384792.db2.gz FIFPRDWJMFKBBD-SPLOXXLWSA-N 0 0 433.489 4.556 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\C=C/c3ccccc3OC)C2=O)cc1 ZINC000096121189 569385002 /nfs/dbraw/zinc/38/50/02/569385002.db2.gz GNHQGHTUNIROHL-OLFUXPTBSA-N 0 0 425.484 4.983 50 0 IJAARN COc1ccc(C)cc1NC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124037 569385377 /nfs/dbraw/zinc/38/53/77/569385377.db2.gz FAVLENTYEBOPBF-UHFFFAOYSA-N 0 0 441.535 4.593 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124061 569385436 /nfs/dbraw/zinc/38/54/36/569385436.db2.gz NECFTJPPLCHZRG-FQEVSTJZSA-N 0 0 441.535 4.674 50 0 IJAARN COc1cc(/C=C/c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc(OC)c1OC ZINC000096193960 569386205 /nfs/dbraw/zinc/38/62/05/569386205.db2.gz WHBDQSGGUJDDME-CMDGGOBGSA-N 0 0 434.477 4.795 50 0 IJAARN CCOc1ccc([C@H](CC(=O)N2CCN(CC)CC2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276604 569388643 /nfs/dbraw/zinc/38/86/43/569388643.db2.gz JOANVWUSCZCOJP-NRFANRHFSA-N 0 0 439.987 4.906 50 0 IJAARN CCCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000096277434 569388769 /nfs/dbraw/zinc/38/87/69/569388769.db2.gz JFSWTSSVGHYSFP-UHFFFAOYSA-N 0 0 427.932 4.949 50 0 IJAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccncc1 ZINC000096277971 569388993 /nfs/dbraw/zinc/38/89/93/569388993.db2.gz JFGRSFMRDXNQGR-LJQANCHMSA-N 0 0 447.922 4.826 50 0 IJAARN O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCCCC2)C1 ZINC000096280525 569389588 /nfs/dbraw/zinc/38/95/88/569389588.db2.gz VHXNOAFPJSTSLQ-XUZZJYLKSA-N 0 0 437.559 4.938 50 0 IJAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NC[C@H]1COc2ccccc2O1 ZINC000096289097 569390568 /nfs/dbraw/zinc/39/05/68/569390568.db2.gz DRILBGMTKBIJCD-HKUYNNGSSA-N 0 0 447.922 4.695 50 0 IJAARN O=C(Nc1ccc2c(c1)S(=O)(=O)N=C(C1CC1)N2c1ccccc1)c1cccc(F)c1 ZINC000096292301 569391232 /nfs/dbraw/zinc/39/12/32/569391232.db2.gz DLVOQWWRMROYEB-UHFFFAOYSA-N 0 0 435.480 4.727 50 0 IJAARN CC(C)CN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)COCc1ccccc1 ZINC000096292872 569391339 /nfs/dbraw/zinc/39/13/39/569391339.db2.gz KOMBTYTYRLKVSB-UHFFFAOYSA-N 0 0 427.932 4.634 50 0 IJAARN CCCN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1c1cccc(C)c1 ZINC000096292405 569391356 /nfs/dbraw/zinc/39/13/56/569391356.db2.gz SNNBPAWIZIHOHM-UHFFFAOYSA-N 0 0 439.562 4.674 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)C)[C@H](C)c3ccccc3)n2)cc1OC ZINC000096293213 569391405 /nfs/dbraw/zinc/39/14/05/569391405.db2.gz AUIBMYFRLFACTF-GOSISDBHSA-N 0 0 437.540 4.932 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)C)[C@@H](C)c3ccccc3)n2)cc1OC ZINC000096293212 569391435 /nfs/dbraw/zinc/39/14/35/569391435.db2.gz AUIBMYFRLFACTF-SFHVURJKSA-N 0 0 437.540 4.932 50 0 IJAARN COc1ccc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)n2)cc1OC ZINC000096293249 569391473 /nfs/dbraw/zinc/39/14/73/569391473.db2.gz GLOIDNZBZBIVFE-FQEVSTJZSA-N 0 0 447.466 4.607 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(C2CC2)N3c2ccccc2)cc1 ZINC000096293400 569391577 /nfs/dbraw/zinc/39/15/77/569391577.db2.gz XHVBPXOWQHWTAD-UHFFFAOYSA-N 0 0 447.516 4.596 50 0 IJAARN CCOc1cc(/C=C\C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)ccc1OC(F)F ZINC000096308985 569392273 /nfs/dbraw/zinc/39/22/73/569392273.db2.gz AXAGNAISTOHSFI-UITAMQMPSA-N 0 0 431.414 4.972 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cc(C)ccc1C ZINC000096317334 569393344 /nfs/dbraw/zinc/39/33/44/569393344.db2.gz ONKWRGKLRBLXNV-UHFFFAOYSA-N 0 0 444.579 4.679 50 0 IJAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096317317 569393376 /nfs/dbraw/zinc/39/33/76/569393376.db2.gz KXWBMJVSTAMJIJ-UHFFFAOYSA-N 0 0 448.636 4.907 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2c(F)cccc2Cl)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317368 569393410 /nfs/dbraw/zinc/39/34/10/569393410.db2.gz WOCUQDMDZLYSKE-MRXNPFEDSA-N 0 0 446.998 4.986 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3cccc(Br)c3)no2)o1)c1ccccc1 ZINC000096322672 569394846 /nfs/dbraw/zinc/39/48/46/569394846.db2.gz VZISTCMWOSPVCS-UHFFFAOYSA-N 0 0 445.294 4.733 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000096323145 569395161 /nfs/dbraw/zinc/39/51/61/569395161.db2.gz KFYSWPVFQDWWAZ-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cc(C)cc(C)c2)C4)cc1 ZINC000096323749 569395524 /nfs/dbraw/zinc/39/55/24/569395524.db2.gz IAJQMGOBBKVROJ-UHFFFAOYSA-N 0 0 433.537 4.673 50 0 IJAARN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)c1ccc(OCc3ccccc3)cc1O2 ZINC000096341532 569396886 /nfs/dbraw/zinc/39/68/86/569396886.db2.gz KYNUNTVFVCXTPZ-NRFANRHFSA-N 0 0 425.525 4.851 50 0 IJAARN COc1ccccc1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 ZINC000096344592 569397038 /nfs/dbraw/zinc/39/70/38/569397038.db2.gz JKUAYUGMHOMWRG-DEOSSOPVSA-N 0 0 434.580 4.562 50 0 IJAARN CC(C)c1noc(-c2ccccc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)n1 ZINC000096346592 569397129 /nfs/dbraw/zinc/39/71/29/569397129.db2.gz DHWCCMFPZJRFCD-UHFFFAOYSA-N 0 0 432.436 4.539 50 0 IJAARN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4cccc(Br)c4)no3)cc2c1 ZINC000096349598 569397312 /nfs/dbraw/zinc/39/73/12/569397312.db2.gz AGKJHQKHJJAEKE-UHFFFAOYSA-N 0 0 439.313 4.604 50 0 IJAARN C[C@@H](NC(=O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1)c1ccc(F)cc1 ZINC000096386337 569398553 /nfs/dbraw/zinc/39/85/53/569398553.db2.gz YDBRCOJNSMEDFS-OAHLLOKOSA-N 0 0 444.963 4.753 50 0 IJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)c(Cl)c3)n[nH]2)cc2c1cccc2OC ZINC000096398645 569399801 /nfs/dbraw/zinc/39/98/01/569399801.db2.gz QOGAVZZFBXQJDW-UHFFFAOYSA-N 0 0 438.915 4.903 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl ZINC000096401192 569400486 /nfs/dbraw/zinc/40/04/86/569400486.db2.gz GODBHLHFMKJWQV-QXMHVHEDSA-N 0 0 430.980 4.700 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000021811230 569400748 /nfs/dbraw/zinc/40/07/48/569400748.db2.gz FKMQTRPFDWUEJC-YMJPAYASSA-N 0 0 433.552 4.652 50 0 IJAARN O=C([C@@H]1Cc2ccccc2N2CCCC[C@@H]12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000096457180 569400817 /nfs/dbraw/zinc/40/08/17/569400817.db2.gz CSFKRYNIGQQFFV-GGAORHGYSA-N 0 0 443.513 4.585 50 0 IJAARN COc1ccccc1C1=N/C(=C/c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C(=O)O1 ZINC000096935656 569402602 /nfs/dbraw/zinc/40/26/02/569402602.db2.gz YWKCDWBWZKRYLG-UDWIEESQSA-N 0 0 447.516 4.798 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000027970641 569404959 /nfs/dbraw/zinc/40/49/59/569404959.db2.gz KYSDTPYEKMRYNA-UHFFFAOYSA-N 0 0 428.330 4.880 50 0 IJAARN Cc1ccc([C@@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000002488225 569405171 /nfs/dbraw/zinc/40/51/71/569405171.db2.gz AHLOYDTWZUVSAV-IBGZPJMESA-N 0 0 430.323 4.752 50 0 IJAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1sc2ccccc2c1Cl ZINC000002616443 569410141 /nfs/dbraw/zinc/41/01/41/569410141.db2.gz SDEXCCZWDCZKOX-UHFFFAOYSA-N 0 0 449.713 4.682 50 0 IJAARN O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000002617150 569410249 /nfs/dbraw/zinc/41/02/49/569410249.db2.gz GXSIPSLGMRSJDD-UHFFFAOYSA-N 0 0 441.698 4.569 50 0 IJAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000002621876 569411232 /nfs/dbraw/zinc/41/12/32/569411232.db2.gz ZLADTPREMKKRKU-UHFFFAOYSA-N 0 0 442.924 4.878 50 0 IJAARN COc1ccc(Br)c(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000002626133 569411786 /nfs/dbraw/zinc/41/17/86/569411786.db2.gz MBNQYVGFONWOGG-KRWDZBQOSA-N 0 0 434.359 4.558 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCCC1=CCCCC1 ZINC000002628540 569412015 /nfs/dbraw/zinc/41/20/15/569412015.db2.gz YDPHCIFPESOXBL-UHFFFAOYSA-N 0 0 437.540 4.624 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000002629073 569412035 /nfs/dbraw/zinc/41/20/35/569412035.db2.gz PGCCTFAETXDYLN-UHFFFAOYSA-N 0 0 427.957 4.534 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3)s2)cc1 ZINC000002632582 569412518 /nfs/dbraw/zinc/41/25/18/569412518.db2.gz BQZHKIPHDAEAQE-CYBMUJFWSA-N 0 0 427.555 4.668 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000002638717 569413437 /nfs/dbraw/zinc/41/34/37/569413437.db2.gz HNYCSMXXFOBUPF-UHFFFAOYSA-N 0 0 431.359 4.836 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)s2)cc1C ZINC000002643466 569413904 /nfs/dbraw/zinc/41/39/04/569413904.db2.gz QYSCJMDMXUUERA-CYBMUJFWSA-N 0 0 428.539 4.747 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)n(-c2ccccc2)n1 ZINC000002644974 569414167 /nfs/dbraw/zinc/41/41/67/569414167.db2.gz LOESVHRMUXKIDV-UHFFFAOYSA-N 0 0 444.535 4.766 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(Br)c(Br)s1 ZINC000002648561 569414414 /nfs/dbraw/zinc/41/44/14/569414414.db2.gz AXYMNEAHIWFCRW-UHFFFAOYSA-N 0 0 428.149 4.727 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000002650423 569414749 /nfs/dbraw/zinc/41/47/49/569414749.db2.gz JKEFWAQUCZEQEF-HNNXBMFYSA-N 0 0 429.977 4.583 50 0 IJAARN C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002653409 569415099 /nfs/dbraw/zinc/41/50/99/569415099.db2.gz WVDCANRVNQHNAA-NSHDSACASA-N 0 0 438.336 4.891 50 0 IJAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)OCc2cc(Cl)cc3c2OCOC3)CC1=O ZINC000002653967 569415218 /nfs/dbraw/zinc/41/52/18/569415218.db2.gz UWZZWGBTLWJBLV-JKSUJKDBSA-N 0 0 443.927 4.816 50 0 IJAARN Cc1ccc(Nc2nc(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)cs2)cc1 ZINC000002657266 569415612 /nfs/dbraw/zinc/41/56/12/569415612.db2.gz XRLHKMLIOGEGJU-SFHVURJKSA-N 0 0 425.535 4.741 50 0 IJAARN Cc1cc(OCc2nc(SCC(=O)N(c3ccccc3)C(C)C)n[nH]2)ccc1Cl ZINC000002657370 569415651 /nfs/dbraw/zinc/41/56/51/569415651.db2.gz TUJLBFWQYWJONR-UHFFFAOYSA-N 0 0 430.961 4.879 50 0 IJAARN CCCCCCn1nc(C(=O)OCC(=O)c2cccc(Cl)c2)c2ccccc2c1=O ZINC000002658969 569415753 /nfs/dbraw/zinc/41/57/53/569415753.db2.gz JGFIHRJMQRSAQL-UHFFFAOYSA-N 0 0 426.900 4.670 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000002690533 569416985 /nfs/dbraw/zinc/41/69/85/569416985.db2.gz WONSHVMFZXMATO-UHFFFAOYSA-N 0 0 443.474 4.754 50 0 IJAARN O=C(COc1ccc2ccccc2c1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002724655 569418436 /nfs/dbraw/zinc/41/84/36/569418436.db2.gz RBJDGMBMWAZAFR-MHZLTWQESA-N 0 0 440.474 4.928 50 0 IJAARN Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)Nc1ccccc1OC(F)F ZINC000002728209 569418711 /nfs/dbraw/zinc/41/87/11/569418711.db2.gz UBBSNOKHNHKLOG-UHFFFAOYSA-N 0 0 442.841 4.842 50 0 IJAARN CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002756340 569420387 /nfs/dbraw/zinc/42/03/87/569420387.db2.gz KNLMOLHONGBGMW-KBPBESRZSA-N 0 0 445.283 4.834 50 0 IJAARN CCCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000002757618 569420393 /nfs/dbraw/zinc/42/03/93/569420393.db2.gz ZTPBHMKQJYTDFV-UKRRQHHQSA-N 0 0 445.283 4.836 50 0 IJAARN O=C(Nc1nn(Cc2ccccc2F)cc1Br)c1ccccc1OC(F)F ZINC000002795391 569422010 /nfs/dbraw/zinc/42/20/10/569422010.db2.gz AHDMHUWJYZGGST-UHFFFAOYSA-N 0 0 440.219 4.687 50 0 IJAARN Cc1ccc(OCc2ccc(C(=O)NCCCn3cc(Br)cn3)cc2)c(C)c1 ZINC000002796449 569422120 /nfs/dbraw/zinc/42/21/20/569422120.db2.gz QVSIHWSMSUQCDG-UHFFFAOYSA-N 0 0 442.357 4.662 50 0 IJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000002908019 569424585 /nfs/dbraw/zinc/42/45/85/569424585.db2.gz RQDBBJSKSVAPOF-ROUUACIJSA-N 0 0 443.794 4.804 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 ZINC000002908931 569424772 /nfs/dbraw/zinc/42/47/72/569424772.db2.gz DUPHMCLMAWQILS-UHFFFAOYSA-N 0 0 449.601 4.994 50 0 IJAARN CCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002922093 569425403 /nfs/dbraw/zinc/42/54/03/569425403.db2.gz UVWQCXADZXWRKK-UHFFFAOYSA-N 0 0 425.476 4.751 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(C(=O)OCC)cc2)c1C ZINC000002929200 569426024 /nfs/dbraw/zinc/42/60/24/569426024.db2.gz YDIKJNCJIDLACM-UHFFFAOYSA-N 0 0 448.519 4.846 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1 ZINC000002930903 569426113 /nfs/dbraw/zinc/42/61/13/569426113.db2.gz WFSWUFBDSAQFMV-UHFFFAOYSA-N 0 0 429.476 4.992 50 0 IJAARN O=c1cc(CSc2nc3ccccc3c(NCc3ccccc3)n2)nc2ccccn12 ZINC000002932989 569426223 /nfs/dbraw/zinc/42/62/23/569426223.db2.gz RXSLRJNOONFDKU-UHFFFAOYSA-N 0 0 425.517 4.542 50 0 IJAARN COc1cc(/C=C2/N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)ccc1OC(C)=O ZINC000002942632 569426792 /nfs/dbraw/zinc/42/67/92/569426792.db2.gz WWGCWZVCWJOWNO-QCPPYIPPSA-N 0 0 432.259 4.937 50 0 IJAARN COc1ccccc1-n1nc(C(=O)N(C)c2ccc(C(C)C)cc2)c2ccccc2c1=O ZINC000002943905 569426894 /nfs/dbraw/zinc/42/68/94/569426894.db2.gz GXESFNIEPACBSZ-UHFFFAOYSA-N 0 0 427.504 4.794 50 0 IJAARN FC(F)(F)c1ccc(N2CCCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)nc1 ZINC000029188497 569428630 /nfs/dbraw/zinc/42/86/30/569428630.db2.gz TZNAANDNJLFIMK-UHFFFAOYSA-N 0 0 437.853 4.516 50 0 IJAARN C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000057015956 569429144 /nfs/dbraw/zinc/42/91/44/569429144.db2.gz BEOGQCISYQTHMW-MBSDFSHPSA-N 0 0 438.572 4.961 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000057015957 569429162 /nfs/dbraw/zinc/42/91/62/569429162.db2.gz BEOGQCISYQTHMW-JPYJTQIMSA-N 0 0 438.572 4.961 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000057327433 569431188 /nfs/dbraw/zinc/43/11/88/569431188.db2.gz FUNYTJKXJQXORJ-XMMPIXPASA-N 0 0 434.561 4.650 50 0 IJAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H]([C@@H](C)CC)C(=O)N32)cc1 ZINC000002964630 569432901 /nfs/dbraw/zinc/43/29/01/569432901.db2.gz KLPDAACFRMQTBG-YCRPNKLZSA-N 0 0 434.565 4.626 50 0 IJAARN O=c1c2cc3c(cc2nc(SCc2ccc(Cl)cc2)n1Cc1ccco1)OCO3 ZINC000002974141 569433567 /nfs/dbraw/zinc/43/35/67/569433567.db2.gz PXFKHOKLUMDFFZ-UHFFFAOYSA-N 0 0 426.881 4.712 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 ZINC000057425502 569434416 /nfs/dbraw/zinc/43/44/16/569434416.db2.gz BLLFICFOLGKAEW-UHFFFAOYSA-N 0 0 435.574 4.570 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)Nc1ccc(F)cc1 ZINC000057426101 569434496 /nfs/dbraw/zinc/43/44/96/569434496.db2.gz BKNMGEWXHPCYHZ-UHFFFAOYSA-N 0 0 443.500 4.515 50 0 IJAARN c1ccc(COc2ccc(-c3noc(CN4CCN(c5ccccc5)CC4)n3)cc2)cc1 ZINC000057427802 569434757 /nfs/dbraw/zinc/43/47/57/569434757.db2.gz GPHQZLFYLSOQME-UHFFFAOYSA-N 0 0 426.520 4.638 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)cc1C ZINC000057428519 569434937 /nfs/dbraw/zinc/43/49/37/569434937.db2.gz PWMWFKGYKIJVDQ-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN O=C(NCc1ccc(Br)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000057477215 569435789 /nfs/dbraw/zinc/43/57/89/569435789.db2.gz ZQHVJYYQAQIFFE-UHFFFAOYSA-N 0 0 435.119 4.532 50 0 IJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000057478524 569435853 /nfs/dbraw/zinc/43/58/53/569435853.db2.gz QXSFYCPKKHTUHZ-UHFFFAOYSA-N 0 0 437.974 4.569 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2F)cc1Cl ZINC000003023673 569436105 /nfs/dbraw/zinc/43/61/05/569436105.db2.gz QMSFQZVXFKWEDP-ZIAGYGMSSA-N 0 0 438.952 4.706 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)c(C)c1 ZINC000003024999 569436210 /nfs/dbraw/zinc/43/62/10/569436210.db2.gz USYSFQJBDLXBKN-UHFFFAOYSA-N 0 0 440.540 4.524 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)ncn3-c2ccc(C)c(Cl)c2)cc1OC ZINC000003025722 569436259 /nfs/dbraw/zinc/43/62/59/569436259.db2.gz WNHVVBDJXYMOPE-UHFFFAOYSA-N 0 0 449.938 4.977 50 0 IJAARN CCOC(=O)CCN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003028433 569436490 /nfs/dbraw/zinc/43/64/90/569436490.db2.gz SJPMZKBGEKZLBC-UHFFFAOYSA-N 0 0 449.878 4.503 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCCc1ccc(Cl)cc1 ZINC000057486786 569436560 /nfs/dbraw/zinc/43/65/60/569436560.db2.gz APHCEDDUXFQPAM-UHFFFAOYSA-N 0 0 441.318 4.871 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1Cl ZINC000057487366 569436672 /nfs/dbraw/zinc/43/66/72/569436672.db2.gz DYQJDNNQWAZFET-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2C)c1 ZINC000057487470 569436722 /nfs/dbraw/zinc/43/67/22/569436722.db2.gz WVFHAKDPLICQIP-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl ZINC000057487766 569436855 /nfs/dbraw/zinc/43/68/55/569436855.db2.gz HYRWHCUMUBNCRS-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000057487701 569436865 /nfs/dbraw/zinc/43/68/65/569436865.db2.gz ABOYSGZWAAISEK-HUUCEWRRSA-N 0 0 441.622 4.661 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1CCc1cccs1 ZINC000057489027 569436979 /nfs/dbraw/zinc/43/69/79/569436979.db2.gz HDKYLLJMKXVURK-UHFFFAOYSA-N 0 0 435.640 4.503 50 0 IJAARN CN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)C1CCCCC1 ZINC000057489311 569437059 /nfs/dbraw/zinc/43/70/59/569437059.db2.gz KHXMSYPACQYJIN-UHFFFAOYSA-N 0 0 449.548 4.609 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1C ZINC000057491097 569437323 /nfs/dbraw/zinc/43/73/23/569437323.db2.gz XCJBBYANPFWJQJ-UHFFFAOYSA-N 0 0 447.560 4.593 50 0 IJAARN O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NCc1ccc(CN2CCOCC2)cc1 ZINC000029882504 569437510 /nfs/dbraw/zinc/43/75/10/569437510.db2.gz DQDQENRPVWQMIW-VMPITWQZSA-N 0 0 438.877 4.521 50 0 IJAARN Cc1nc(CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@H](C)c2ccc(Cl)cc2)oc1C ZINC000230106995 569437512 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O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ncc(Cl)cc1Cl ZINC000003259174 569443175 /nfs/dbraw/zinc/44/31/75/569443175.db2.gz KBRJYTDRRNUINX-UHFFFAOYSA-N 0 0 426.354 4.583 50 0 IJAARN CC(C)N(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000003279516 569443790 /nfs/dbraw/zinc/44/37/90/569443790.db2.gz MDAQNPFUIXBLPO-UHFFFAOYSA-N 0 0 428.867 4.935 50 0 IJAARN Cn1c(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)nnc1C(F)(F)F ZINC000003279072 569443797 /nfs/dbraw/zinc/44/37/97/569443797.db2.gz POGDXWDZJSNGFX-INIZCTEOSA-N 0 0 425.407 4.873 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)cc1Cl)COC(=O)c1ccc(Cl)cc1Cl ZINC000003283647 569444006 /nfs/dbraw/zinc/44/40/06/569444006.db2.gz ZMDYRUZENOSSQA-UHFFFAOYSA-N 0 0 436.074 4.883 50 0 IJAARN COc1ccc(-n2c(S[C@H]3CCCCC3=O)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000003290421 569444342 /nfs/dbraw/zinc/44/43/42/569444342.db2.gz HWPRBFCXODLCLP-IBGZPJMESA-N 0 0 440.590 4.938 50 0 IJAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Oc1ccc2cc(Br)ccc2c1 ZINC000003292571 569444496 /nfs/dbraw/zinc/44/44/96/569444496.db2.gz 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Cc1c(NC(=O)[C@H](C)Oc2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003310270 569445415 /nfs/dbraw/zinc/44/54/15/569445415.db2.gz WYHDOSGRKLLBQQ-IBGZPJMESA-N 0 0 443.503 4.683 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1NC(=O)c1ccco1 ZINC000003318952 569445877 /nfs/dbraw/zinc/44/58/77/569445877.db2.gz YXRVSFRRSKPSSS-UHFFFAOYSA-N 0 0 448.519 4.824 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccccc1OC(F)F ZINC000003322154 569446019 /nfs/dbraw/zinc/44/60/19/569446019.db2.gz WYMFXJAYYCZJOO-UHFFFAOYSA-N 0 0 426.419 4.511 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1C ZINC000003322965 569446050 /nfs/dbraw/zinc/44/60/50/569446050.db2.gz PNLUWDBBYLHOLY-UHFFFAOYSA-N 0 0 445.548 4.760 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NCCc1ccccc1 ZINC000003330274 569446378 /nfs/dbraw/zinc/44/63/78/569446378.db2.gz XRMQXNLGRGWEMT-UHFFFAOYSA-N 0 0 446.551 4.584 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c1 ZINC000003331833 569446472 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0 IJAARN COc1cccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1OC ZINC000003444218 569451346 /nfs/dbraw/zinc/45/13/46/569451346.db2.gz NRBVTADGHLISSH-UHFFFAOYSA-N 0 0 432.549 4.896 50 0 IJAARN C[C@H](NC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000003452796 569451695 /nfs/dbraw/zinc/45/16/95/569451695.db2.gz RKJUXNZPYIWGLJ-OALUTQOASA-N 0 0 442.515 4.554 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000003465827 569451973 /nfs/dbraw/zinc/45/19/73/569451973.db2.gz YGZBVBVGRDEUMN-UHFFFAOYSA-N 0 0 432.505 4.520 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)C(N)=O ZINC000003497087 569452687 /nfs/dbraw/zinc/45/26/87/569452687.db2.gz QBXRWAVIRXLZCM-SNVBAGLBSA-N 0 0 426.851 4.572 50 0 IJAARN C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000003495832 569452705 /nfs/dbraw/zinc/45/27/05/569452705.db2.gz UJTOTJXUJFUXHR-CRAIPNDOSA-N 0 0 436.537 4.795 50 0 IJAARN O=C(Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)Nc1cccc(OC(F)(F)F)c1 ZINC000031033519 569452740 /nfs/dbraw/zinc/45/27/40/569452740.db2.gz BXTLUJNBGMBKNM-UHFFFAOYSA-N 0 0 428.823 4.798 50 0 IJAARN COCCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(Cl)cc1 ZINC000003515599 569453105 /nfs/dbraw/zinc/45/31/05/569453105.db2.gz YQSSAFZQOPARGM-UHFFFAOYSA-N 0 0 441.940 4.952 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C ZINC000003551808 569453836 /nfs/dbraw/zinc/45/38/36/569453836.db2.gz UDPMPOVSOJTZEY-QFIPXVFZSA-N 0 0 449.624 4.559 50 0 IJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000003582740 569454377 /nfs/dbraw/zinc/45/43/77/569454377.db2.gz IPVXKGFRJAYLIO-HSZRJFAPSA-N 0 0 437.565 4.706 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000003630403 569455290 /nfs/dbraw/zinc/45/52/90/569455290.db2.gz HBZWQZCUXCXZEL-UHFFFAOYSA-N 0 0 437.908 4.963 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000003632012 569455393 /nfs/dbraw/zinc/45/53/93/569455393.db2.gz LOSWVVUMHDOUFX-UHFFFAOYSA-N 0 0 439.899 4.771 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]c2=S)cc1 ZINC000003632337 569455429 /nfs/dbraw/zinc/45/54/29/569455429.db2.gz JZOGQSAYLNXRFR-UHFFFAOYSA-N 0 0 431.517 4.552 50 0 IJAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1noc(-c2cccs2)n1 ZINC000031626544 569456907 /nfs/dbraw/zinc/45/69/07/569456907.db2.gz KJRXFXRONAHMSE-UHFFFAOYSA-N 0 0 426.910 4.938 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nc2ccccc2c(=O)n1CC ZINC000031691473 569456997 /nfs/dbraw/zinc/45/69/97/569456997.db2.gz CGWFICKKPLCFEZ-UHFFFAOYSA-N 0 0 433.533 4.742 50 0 IJAARN CCc1ccc(N(C(C)=O)c2nc(Cn3cnc4ccc(Cl)cc4c3=O)cs2)cc1 ZINC000031740479 569457172 /nfs/dbraw/zinc/45/71/72/569457172.db2.gz HSSDKFCVCUSEKL-UHFFFAOYSA-N 0 0 438.940 4.802 50 0 IJAARN O=C1Nc2ccc(Cl)cc2[C@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032072068 569459260 /nfs/dbraw/zinc/45/92/60/569459260.db2.gz PUZCHINMKOZNHG-IBGZPJMESA-N 0 0 432.789 4.774 50 0 IJAARN O=C(Cc1csc(-c2ccccc2F)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032089489 569459533 /nfs/dbraw/zinc/45/95/33/569459533.db2.gz IKQVLOATUHGICG-UHFFFAOYSA-N 0 0 430.932 4.655 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OCC(C)C ZINC000032093398 569459716 /nfs/dbraw/zinc/45/97/16/569459716.db2.gz HJJCJIIGDNYQIU-OAHLLOKOSA-N 0 0 441.919 4.791 50 0 IJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000032101365 569460084 /nfs/dbraw/zinc/46/00/84/569460084.db2.gz QRQSHBHWJREQMO-KRWDZBQOSA-N 0 0 445.306 4.696 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3cccc(-n4cccc4)c3)C2=O)cc1 ZINC000004123150 569460085 /nfs/dbraw/zinc/46/00/85/569460085.db2.gz WGRYZZIIMDCMCQ-MUUNZHRXSA-N 0 0 436.511 4.793 50 0 IJAARN CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C ZINC000032105867 569460278 /nfs/dbraw/zinc/46/02/78/569460278.db2.gz CLYVKDGUZROTRI-DEOSSOPVSA-N 0 0 434.927 4.962 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)OCc3ccccc3)n2-c2ccccc2)cc1 ZINC000004192181 569460836 /nfs/dbraw/zinc/46/08/36/569460836.db2.gz DQVMIZKGJVFIRX-UHFFFAOYSA-N 0 0 431.517 4.778 50 0 IJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(C)=O ZINC000004197469 569460845 /nfs/dbraw/zinc/46/08/45/569460845.db2.gz GXYMNPLOWKMRDI-CQSZACIVSA-N 0 0 429.460 4.620 50 0 IJAARN COc1cc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000032479806 569461882 /nfs/dbraw/zinc/46/18/82/569461882.db2.gz LWMCILDPPVREBW-UHFFFAOYSA-N 0 0 447.459 4.976 50 0 IJAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000032518573 569461912 /nfs/dbraw/zinc/46/19/12/569461912.db2.gz NXIGZNOBVICYDM-CQSZACIVSA-N 0 0 430.913 4.547 50 0 IJAARN CCOc1ccc(C(=O)NCCSc2nc(-c3ccc(C)cc3)c[nH]2)cc1OCC ZINC000004315422 569462018 /nfs/dbraw/zinc/46/20/18/569462018.db2.gz UGRCGMPSIBULGZ-UHFFFAOYSA-N 0 0 425.554 4.705 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)n1 ZINC000008156204 569462334 /nfs/dbraw/zinc/46/23/34/569462334.db2.gz ACQXUNZFCSTCNQ-UHFFFAOYSA-N 0 0 427.552 4.540 50 0 IJAARN CSc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)cc1 ZINC000038487872 569462964 /nfs/dbraw/zinc/46/29/64/569462964.db2.gz RFAQDHZTLIIBFP-UHFFFAOYSA-N 0 0 435.940 4.635 50 0 IJAARN Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000067207302 569464718 /nfs/dbraw/zinc/46/47/18/569464718.db2.gz JKXGAPYJWVYBDG-UHFFFAOYSA-N 0 0 437.297 4.915 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cccc(C(C)C)c3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236529 569465418 /nfs/dbraw/zinc/46/54/18/569465418.db2.gz YZHOAVIMBKIYFN-UHFFFAOYSA-N 0 0 436.537 4.529 50 0 IJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1F ZINC000067259092 569466185 /nfs/dbraw/zinc/46/61/85/569466185.db2.gz ZGIUZJNBXRAVNM-UHFFFAOYSA-N 0 0 435.524 4.892 50 0 IJAARN O=C1CCCN1c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067259202 569466217 /nfs/dbraw/zinc/46/62/17/569466217.db2.gz RNKRSPGUNGBRAL-UHFFFAOYSA-N 0 0 445.519 4.944 50 0 IJAARN C=Cc1ccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)cc1 ZINC000067260200 569466282 /nfs/dbraw/zinc/46/62/82/569466282.db2.gz ZRHARQBCESDUDT-UHFFFAOYSA-N 0 0 429.954 4.871 50 0 IJAARN Cc1ccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)cc1C ZINC000067260197 569466310 /nfs/dbraw/zinc/46/63/10/569466310.db2.gz JHDQARSJLLDQFE-UHFFFAOYSA-N 0 0 431.970 4.845 50 0 IJAARN Cc1ccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1C ZINC000067260097 569466315 /nfs/dbraw/zinc/46/63/15/569466315.db2.gz SFPJHLHTUPXSBQ-UHFFFAOYSA-N 0 0 431.970 4.845 50 0 IJAARN COc1ccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)cc1 ZINC000067260384 569466335 /nfs/dbraw/zinc/46/63/35/569466335.db2.gz AQBDKCPHGKPYMA-UHFFFAOYSA-N 0 0 436.518 4.602 50 0 IJAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(C)c(C)c5)c(=O)n4ccn3n2)cc1 ZINC000067260502 569466344 /nfs/dbraw/zinc/46/63/44/569466344.db2.gz MKBHQQFEFLBNBB-UHFFFAOYSA-N 0 0 441.535 4.655 50 0 IJAARN CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(F)cc5Cl)c(=O)n4ccn3n2)cc1 ZINC000067260593 569466393 /nfs/dbraw/zinc/46/63/93/569466393.db2.gz DQAOZPIUPRNDQA-UHFFFAOYSA-N 0 0 435.890 4.775 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCc5ccc6c(c5)OCO6)n4ccn3n2)cc1C ZINC000067260627 569466398 /nfs/dbraw/zinc/46/63/98/569466398.db2.gz RYAHSMISYNJRSN-UHFFFAOYSA-N 0 0 429.505 4.682 50 0 IJAARN COc1ccc(CCNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1OC ZINC000067261415 569466496 /nfs/dbraw/zinc/46/64/96/569466496.db2.gz IAFNCDCFQOUMPY-UHFFFAOYSA-N 0 0 443.482 4.755 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261301 569466497 /nfs/dbraw/zinc/46/64/97/569466497.db2.gz HNNZMTNLTNTRLP-UHFFFAOYSA-N 0 0 438.318 4.609 50 0 IJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(N(C)C)cc4)nccn3n2)cc1C ZINC000067289648 569467507 /nfs/dbraw/zinc/46/75/07/569467507.db2.gz WNRDHVDDGNYRPO-UHFFFAOYSA-N 0 0 431.565 4.810 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 ZINC000067290411 569467571 /nfs/dbraw/zinc/46/75/71/569467571.db2.gz GQCCOKWFISDYPR-UHFFFAOYSA-N 0 0 436.512 4.973 50 0 IJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067298175 569468051 /nfs/dbraw/zinc/46/80/51/569468051.db2.gz FZDUTGYUJONDGY-BWAHOGKJSA-N 0 0 447.394 4.978 50 0 IJAARN COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)c1 ZINC000067297617 569468053 /nfs/dbraw/zinc/46/80/53/569468053.db2.gz MORRSCMMIGJIDG-PNHLSOANSA-N 0 0 428.444 4.713 50 0 IJAARN CSc1nc2cc(C)n(CC(=O)Nc3ccc(C(C)C)cc3)c2c(=O)n1CC(C)C ZINC000067319928 569468568 /nfs/dbraw/zinc/46/85/68/569468568.db2.gz SNLRFHQHLRGJFI-UHFFFAOYSA-N 0 0 426.586 4.646 50 0 IJAARN O=C(Nc1ccc2[nH]ccc2c1)C1(N2C(=O)C[C@H]2c2ccc3c(c2)OCO3)CCCCC1 ZINC000038856592 569469314 /nfs/dbraw/zinc/46/93/14/569469314.db2.gz OWVNNSJTFJFIIR-FQEVSTJZSA-N 0 0 431.492 4.512 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1F)Nc1ccc(N2CCCCCC2)cc1 ZINC000008704034 569470254 /nfs/dbraw/zinc/47/02/54/569470254.db2.gz IQXCBUNCNYDBKH-UHFFFAOYSA-N 0 0 425.533 4.518 50 0 IJAARN Cc1cc(C(=O)Cn2c3ccccc3nc2[C@H](C)NC(=O)c2ccc(C)cc2)c(C)n1C ZINC000008706450 569470454 /nfs/dbraw/zinc/47/04/54/569470454.db2.gz SNXMRWRLIDYZFT-SFHVURJKSA-N 0 0 428.536 4.674 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000008712839 569471037 /nfs/dbraw/zinc/47/10/37/569471037.db2.gz MFOFIFAPUVXWJE-QGZVFWFLSA-N 0 0 436.533 4.718 50 0 IJAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000008723849 569471881 /nfs/dbraw/zinc/47/18/81/569471881.db2.gz QUNOLTRIGVYYAT-UHFFFAOYSA-N 0 0 432.476 4.558 50 0 IJAARN Cc1ccccc1OCc1nc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000008724345 569471976 /nfs/dbraw/zinc/47/19/76/569471976.db2.gz APEFRTSDKZRBJS-KRWDZBQOSA-N 0 0 432.549 4.815 50 0 IJAARN COc1cc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c(OC)cc1Cl ZINC000008724724 569472041 /nfs/dbraw/zinc/47/20/41/569472041.db2.gz YDBXPDFAMPVLDL-UHFFFAOYSA-N 0 0 430.888 4.722 50 0 IJAARN O=c1c2cc(Cl)ccc2ncn1Cc1cc(F)cc2c1O[C@H](c1ccsc1)OC2 ZINC000008733844 569472521 /nfs/dbraw/zinc/47/25/21/569472521.db2.gz QWTSRRWSIYWJPP-OAQYLSRUSA-N 0 0 428.872 4.907 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000008734881 569472558 /nfs/dbraw/zinc/47/25/58/569472558.db2.gz CLUQSPIEZXPLML-QGZVFWFLSA-N 0 0 435.907 4.741 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000008748514 569473231 /nfs/dbraw/zinc/47/32/31/569473231.db2.gz QTYFHAFKLQMAGX-QHCPKHFHSA-N 0 0 430.504 4.520 50 0 IJAARN C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc2c(c1)CCCC2 ZINC000008749784 569473281 /nfs/dbraw/zinc/47/32/81/569473281.db2.gz BJNLXJOECREHFA-AWEZNQCLSA-N 0 0 425.579 4.756 50 0 IJAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000008751185 569473399 /nfs/dbraw/zinc/47/33/99/569473399.db2.gz YPOAPKIWPTXRLA-UHFFFAOYSA-N 0 0 442.437 4.814 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(-c3nc(C)cs3)cc2)c1 ZINC000008755920 569474031 /nfs/dbraw/zinc/47/40/31/569474031.db2.gz RFPNGKXBZMFZBC-OAQYLSRUSA-N 0 0 438.549 4.878 50 0 IJAARN O=C(Nc1cccc(Br)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000008774372 569475336 /nfs/dbraw/zinc/47/53/36/569475336.db2.gz SLHRNBGDCNYZTG-UHFFFAOYSA-N 0 0 442.762 4.828 50 0 IJAARN COc1cccc(-n2cnnc2SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)c1 ZINC000008777491 569475375 /nfs/dbraw/zinc/47/53/75/569475375.db2.gz OLQGLSOCEOKTIG-UHFFFAOYSA-N 0 0 444.560 4.910 50 0 IJAARN C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008777263 569475387 /nfs/dbraw/zinc/47/53/87/569475387.db2.gz FRXWKYNNFKAYIP-AWEZNQCLSA-N 0 0 432.863 4.726 50 0 IJAARN Cc1cc(OCn2ccc(C(=O)Nc3ccc(Br)cn3)n2)cc(C)c1Cl ZINC000008782591 569475839 /nfs/dbraw/zinc/47/58/39/569475839.db2.gz GCMGEMAOIBMSRP-UHFFFAOYSA-N 0 0 435.709 4.600 50 0 IJAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCc4cccnc4)c(=O)oc12)CCCC3 ZINC000008791393 569476189 /nfs/dbraw/zinc/47/61/89/569476189.db2.gz QHOYNLWHNVFITB-UHFFFAOYSA-N 0 0 430.504 4.679 50 0 biogenic IJAARN Cc1ccc(N=C2NN=C(c3ccccc3)[C@@H](C(=O)Nc3ccc4c(c3)OCO4)S2)cc1 ZINC000008824697 569477238 /nfs/dbraw/zinc/47/72/38/569477238.db2.gz JNURCJSPXBVWDI-QFIPXVFZSA-N 0 0 444.516 4.650 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccccc1 ZINC000008825319 569477342 /nfs/dbraw/zinc/47/73/42/569477342.db2.gz OOPKBZCJCHEXRZ-ROUUACIJSA-N 0 0 436.581 4.825 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008825584 569477430 /nfs/dbraw/zinc/47/74/30/569477430.db2.gz LURWXFNZHIEUCG-UHFFFAOYSA-N 0 0 437.536 4.742 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O ZINC000008828147 569477768 /nfs/dbraw/zinc/47/77/68/569477768.db2.gz HFKQHNVHMSPXFX-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840687 569478403 /nfs/dbraw/zinc/47/84/03/569478403.db2.gz PRSGUHXWSLMMMK-UHFFFAOYSA-N 0 0 440.952 4.929 50 0 IJAARN COc1ccc(-c2csc3ncn([C@@H](C)C(=O)Nc4ccccc4Cl)c(=O)c23)cc1 ZINC000008844020 569478562 /nfs/dbraw/zinc/47/85/62/569478562.db2.gz QZXYKTGBEXNFBG-ZDUSSCGKSA-N 0 0 439.924 4.987 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)o2)cc1 ZINC000008844583 569478669 /nfs/dbraw/zinc/47/86/69/569478669.db2.gz QIPDQJVHOHKPMT-KRWDZBQOSA-N 0 0 432.929 4.727 50 0 IJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 ZINC000008845138 569478684 /nfs/dbraw/zinc/47/86/84/569478684.db2.gz OZCAYUMAAGJHRZ-VWLOTQADSA-N 0 0 440.503 4.712 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1 ZINC000008845046 569478689 /nfs/dbraw/zinc/47/86/89/569478689.db2.gz XYOIDYLEZWYZQK-FQEVSTJZSA-N 0 0 438.531 4.528 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)c1 ZINC000008851143 569479341 /nfs/dbraw/zinc/47/93/41/569479341.db2.gz MZXNOZDMZBUDMK-UHFFFAOYSA-N 0 0 445.541 4.511 50 0 IJAARN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc21)c1ccc(C)cc1 ZINC000008856134 569479729 /nfs/dbraw/zinc/47/97/29/569479729.db2.gz YZHXQCRRSHZEGV-NRFANRHFSA-N 0 0 441.549 4.520 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000008861722 569480027 /nfs/dbraw/zinc/48/00/27/569480027.db2.gz VFVNHOGBUKAMHL-ZDUSSCGKSA-N 0 0 438.380 4.959 50 0 IJAARN O=C(NCCCOC(=O)C1(c2ccccc2)CCCCC1)C1(c2ccccc2)CCOCC1 ZINC000008869803 569480506 /nfs/dbraw/zinc/48/05/06/569480506.db2.gz XWHOKGZOJYUNFJ-UHFFFAOYSA-N 0 0 449.591 4.686 50 0 IJAARN COc1ccc(C)cc1-n1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000008871037 569480740 /nfs/dbraw/zinc/48/07/40/569480740.db2.gz SUBADPLVVZWPDC-UHFFFAOYSA-N 0 0 438.487 4.830 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)c1 ZINC000008871413 569480779 /nfs/dbraw/zinc/48/07/79/569480779.db2.gz KDOXYKOMLWZQTR-CABCVRRESA-N 0 0 430.335 4.759 50 0 IJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1cccnc1)c1ccc(Cl)cc1 ZINC000039844351 569481856 /nfs/dbraw/zinc/48/18/56/569481856.db2.gz IITDUABAOUFFIE-UHFFFAOYSA-N 0 0 425.897 4.835 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)o2)cc1 ZINC000039995542 569482388 /nfs/dbraw/zinc/48/23/88/569482388.db2.gz SCATXTXSVIPUSA-UHFFFAOYSA-N 0 0 433.508 4.678 50 0 IJAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000040005108 569482446 /nfs/dbraw/zinc/48/24/46/569482446.db2.gz LKZLMVLPBUIOBC-UHFFFAOYSA-N 0 0 429.929 4.573 50 0 IJAARN Cc1nnc(Sc2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)n1N ZINC000040024889 569482839 /nfs/dbraw/zinc/48/28/39/569482839.db2.gz QDNIJRMBATYWDW-UHFFFAOYSA-N 0 0 440.623 4.627 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000008884460 569483186 /nfs/dbraw/zinc/48/31/86/569483186.db2.gz VPCXXXKIZVAOTQ-UHFFFAOYSA-N 0 0 426.438 4.859 50 0 IJAARN C[C@H]1CCCC[C@@H]1n1c(SCCCn2c3ccccc3[nH]c2=O)nnc1-c1cccnc1 ZINC000008886951 569483190 /nfs/dbraw/zinc/48/31/90/569483190.db2.gz PZXRPPOSGXMORG-PXNSSMCTSA-N 0 0 448.596 4.917 50 0 IJAARN CCOc1c(Br)cc(F)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000040040107 569483426 /nfs/dbraw/zinc/48/34/26/569483426.db2.gz RJQGMXARYAOEHB-LJQANCHMSA-N 0 0 447.304 4.890 50 0 IJAARN Cc1nc(Cc2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)cs1 ZINC000008893886 569483632 /nfs/dbraw/zinc/48/36/32/569483632.db2.gz QYNFVXKHVSKHBI-UHFFFAOYSA-N 0 0 428.583 4.883 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ncc(Cl)cc1Cl ZINC000008900661 569484171 /nfs/dbraw/zinc/48/41/71/569484171.db2.gz BCULREAQGNECEN-UHFFFAOYSA-N 0 0 440.381 4.698 50 0 IJAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)c1 ZINC000040051374 569484435 /nfs/dbraw/zinc/48/44/35/569484435.db2.gz ZLFBQBDCLZERTN-FQEVSTJZSA-N 0 0 440.547 4.725 50 0 IJAARN COc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000008913131 569485243 /nfs/dbraw/zinc/48/52/43/569485243.db2.gz QQZWYOJRUNUWNN-UHFFFAOYSA-N 0 0 432.549 4.988 50 0 IJAARN COc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000008913154 569485249 /nfs/dbraw/zinc/48/52/49/569485249.db2.gz CFXPGDLINZRIMG-UHFFFAOYSA-N 0 0 432.549 4.988 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000008920301 569486488 /nfs/dbraw/zinc/48/64/88/569486488.db2.gz CEDFPADUFBABBM-QHCPKHFHSA-N 0 0 444.369 4.982 50 0 IJAARN COc1ccccc1C(=O)C[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2C)C1=O ZINC000008922635 569486924 /nfs/dbraw/zinc/48/69/24/569486924.db2.gz OCDOEEVDRSDHNW-RUZDIDTESA-N 0 0 435.907 4.664 50 0 IJAARN Cc1nn(-c2ccccn2)c2ncc(C(=O)OCc3csc(-c4ccsc4)n3)cc12 ZINC000040090146 569487415 /nfs/dbraw/zinc/48/74/15/569487415.db2.gz XYCRQBFBUWRNGR-UHFFFAOYSA-N 0 0 433.518 4.666 50 0 IJAARN COc1cc(CN[C@H](c2nccn2C)c2ccccc2F)cc(Cl)c1OC(F)F ZINC000040091398 569487489 /nfs/dbraw/zinc/48/74/89/569487489.db2.gz OIPPSINEJBPKFN-KRWDZBQOSA-N 0 0 425.838 4.702 50 0 IJAARN C[C@H](OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008937868 569488141 /nfs/dbraw/zinc/48/81/41/569488141.db2.gz WSBWLCNFVLVWIV-CPJHTQCFSA-N 0 0 447.572 4.603 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000008942107 569488666 /nfs/dbraw/zinc/48/86/66/569488666.db2.gz AOWLWVQSVNNLSB-CHWSQXEVSA-N 0 0 431.587 4.820 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000040110496 569488734 /nfs/dbraw/zinc/48/87/34/569488734.db2.gz PDAUXKPTZDAQIF-LJQANCHMSA-N 0 0 432.973 4.626 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1OCC ZINC000040121965 569489547 /nfs/dbraw/zinc/48/95/47/569489547.db2.gz CAWHKHGPAGFXAG-INIZCTEOSA-N 0 0 446.975 4.986 50 0 IJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccnc3)C[C@H]21 ZINC000008951757 569489968 /nfs/dbraw/zinc/48/99/68/569489968.db2.gz KCIHHYYDCRDIMW-NLFFAJNJSA-N 0 0 431.492 4.740 50 0 IJAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)Nc1cccc3ccccc31)c2=O ZINC000008955975 569490189 /nfs/dbraw/zinc/49/01/89/569490189.db2.gz HSMYFXFVSVNWFL-UHFFFAOYSA-N 0 0 432.530 4.682 50 0 IJAARN Cn1ccnc1COc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000040134895 569490634 /nfs/dbraw/zinc/49/06/34/569490634.db2.gz RILSYAUXNPAPAN-UHFFFAOYSA-N 0 0 431.467 4.970 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1Cl ZINC000008961070 569490868 /nfs/dbraw/zinc/49/08/68/569490868.db2.gz VFGATJGGQRKOSE-UHFFFAOYSA-N 0 0 444.896 4.532 50 0 IJAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(CCSc2ccccc2)CC1 ZINC000040139420 569490870 /nfs/dbraw/zinc/49/08/70/569490870.db2.gz WRWFYBIJBXWBAK-UHFFFAOYSA-N 0 0 430.664 4.715 50 0 IJAARN CC[C@H](C(=O)NCCCc1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965270 569491365 /nfs/dbraw/zinc/49/13/65/569491365.db2.gz CZUTTWITMIUSMO-XMMPIXPASA-N 0 0 442.563 4.504 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](CC)n2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008965263 569491366 /nfs/dbraw/zinc/49/13/66/569491366.db2.gz GWBGUXSKFHMQFB-HSZRJFAPSA-N 0 0 428.536 4.956 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)Nc3ccccc3)c2)cc1 ZINC000008965496 569491434 /nfs/dbraw/zinc/49/14/34/569491434.db2.gz WXCPCMWEJDJIAS-UHFFFAOYSA-N 0 0 441.509 4.539 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1ccc(Cl)cc1 ZINC000008965328 569491443 /nfs/dbraw/zinc/49/14/43/569491443.db2.gz RSYOJNDKKQSDSW-UHFFFAOYSA-N 0 0 448.954 4.554 50 0 IJAARN Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008965863 569491571 /nfs/dbraw/zinc/49/15/71/569491571.db2.gz QSRDFVZMVLPCJJ-IBGZPJMESA-N 0 0 428.561 4.962 50 0 IJAARN CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccnc1OCc1ccccc1 ZINC000040146919 569492374 /nfs/dbraw/zinc/49/23/74/569492374.db2.gz WDOPSGKNKUBANV-UHFFFAOYSA-N 0 0 445.548 4.535 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)c1 ZINC000040150674 569493212 /nfs/dbraw/zinc/49/32/12/569493212.db2.gz JEVCEMMDPVJJMN-UHFFFAOYSA-N 0 0 443.887 4.678 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040153709 569493642 /nfs/dbraw/zinc/49/36/42/569493642.db2.gz WPKOZKGOMNWHLP-MBSDFSHPSA-N 0 0 427.976 4.731 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(Oc2ccccc2)(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000040155145 569493878 /nfs/dbraw/zinc/49/38/78/569493878.db2.gz AGMAITZJHHBDLH-UHFFFAOYSA-N 0 0 432.467 4.752 50 0 IJAARN O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)N1CCc2ccccc21 ZINC000040155658 569493973 /nfs/dbraw/zinc/49/39/73/569493973.db2.gz VJGHHTKJSMRCAF-UHFFFAOYSA-N 0 0 429.398 4.552 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4n3C)c12 ZINC000040156273 569494085 /nfs/dbraw/zinc/49/40/85/569494085.db2.gz GPRUNMMLUUJTKM-OAQYLSRUSA-N 0 0 430.556 4.654 50 0 IJAARN Cc1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2C2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000040157704 569494397 /nfs/dbraw/zinc/49/43/97/569494397.db2.gz BLBFKYNWZYAMSF-LOSJGSFVSA-N 0 0 444.531 4.532 50 0 IJAARN COc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000040161269 569495141 /nfs/dbraw/zinc/49/51/41/569495141.db2.gz HESWIPNOFMEFGG-UHFFFAOYSA-N 0 0 431.901 4.793 50 0 IJAARN Cc1n[nH]c2c1[C@H](c1ccc(Br)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000008992798 569495353 /nfs/dbraw/zinc/49/53/53/569495353.db2.gz WYZYGNIPIPJPQT-NRFANRHFSA-N 0 0 435.325 4.750 50 0 IJAARN Cc1c(C)c(C)c(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c(C)c1C ZINC000244998655 569496903 /nfs/dbraw/zinc/49/69/03/569496903.db2.gz KOGVAIQCUMDJRE-OAQYLSRUSA-N 0 0 435.636 4.566 50 0 IJAARN CCOc1ccc(N2C[C@@H](CNC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000009039746 569497441 /nfs/dbraw/zinc/49/74/41/569497441.db2.gz PWJTZGDVFMHOLM-HXUWFJFHSA-N 0 0 443.547 4.527 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000040268053 569497552 /nfs/dbraw/zinc/49/75/52/569497552.db2.gz SQAHPUSXJVPIQT-UHFFFAOYSA-N 0 0 443.547 4.503 50 0 IJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccnc3)n2C)c1 ZINC000009056150 569498970 /nfs/dbraw/zinc/49/89/70/569498970.db2.gz AMTXQLBAXSLWGZ-UHFFFAOYSA-N 0 0 429.549 4.511 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3n[nH]c(-c4ccccc4F)n3)cs2)cc1 ZINC000009056546 569499085 /nfs/dbraw/zinc/49/90/85/569499085.db2.gz IFTDMYCSSVIXRU-UHFFFAOYSA-N 0 0 439.541 4.849 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccccc2Br)n1C ZINC000009058074 569499219 /nfs/dbraw/zinc/49/92/19/569499219.db2.gz IYUIFUOAVJHHFU-CQSZACIVSA-N 0 0 445.386 4.523 50 0 IJAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000009061228 569499633 /nfs/dbraw/zinc/49/96/33/569499633.db2.gz XCJFHHWQPJOZFW-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN COCCn1c2ccccc2nc1SCc1cc(=O)oc2cc(Br)ccc12 ZINC000009073971 569500164 /nfs/dbraw/zinc/50/01/64/569500164.db2.gz QLGLNYZJGCNUKJ-UHFFFAOYSA-N 0 0 445.338 4.844 50 0 IJAARN COc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2nc3ccccc3[nH]2)cc1OC ZINC000009090771 569501073 /nfs/dbraw/zinc/50/10/73/569501073.db2.gz LEZKQRDXKPUQSE-QHCPKHFHSA-N 0 0 426.476 4.503 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccccc3F)C3CCCCC3)n2)cc1OC ZINC000009095299 569501339 /nfs/dbraw/zinc/50/13/39/569501339.db2.gz WQUAQBAATNTYOH-UHFFFAOYSA-N 0 0 439.487 4.868 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)COc3cc(C)c(Cl)c(C)c3)C(C)C)n2)cc1 ZINC000009095272 569501346 /nfs/dbraw/zinc/50/13/46/569501346.db2.gz ANWLAWIMLFWXAY-UHFFFAOYSA-N 0 0 443.931 4.831 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1 ZINC000009100561 569501495 /nfs/dbraw/zinc/50/14/95/569501495.db2.gz JARHHTYYGWEXNN-UHFFFAOYSA-N 0 0 443.503 4.780 50 0 IJAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)NCCC2=CCCCC2)cc1 ZINC000009100722 569501549 /nfs/dbraw/zinc/50/15/49/569501549.db2.gz HNKGYDUDJNLFHE-IBGZPJMESA-N 0 0 439.581 4.831 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)n1-c1ccccc1 ZINC000009111834 569502317 /nfs/dbraw/zinc/50/23/17/569502317.db2.gz DJOWWURPHVKBEU-MOPGFXCFSA-N 0 0 436.581 4.967 50 0 IJAARN CCCN(CC1CC1)C(=O)COc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000009113769 569502539 /nfs/dbraw/zinc/50/25/39/569502539.db2.gz CQNNKLMJKRPDTF-UHFFFAOYSA-N 0 0 445.357 4.729 50 0 IJAARN CCOc1ccc(CNC(=O)c2cc(Cl)ccc2NC(=O)C2=C(C)OCCS2)cc1 ZINC000009115196 569502721 /nfs/dbraw/zinc/50/27/21/569502721.db2.gz RPVBCTFNBQFBGZ-UHFFFAOYSA-N 0 0 446.956 4.602 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000069375175 569503419 /nfs/dbraw/zinc/50/34/19/569503419.db2.gz VYGDZEFEWCPZMQ-JOCHJYFZSA-N 0 0 448.573 4.712 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)cc1C ZINC000009119123 569503431 /nfs/dbraw/zinc/50/34/31/569503431.db2.gz LEWHFZRJEUAKBC-UHFFFAOYSA-N 0 0 442.556 4.508 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009119222 569503465 /nfs/dbraw/zinc/50/34/65/569503465.db2.gz YRVDRPGYNYPIMB-UHFFFAOYSA-N 0 0 442.556 4.546 50 0 IJAARN Cn1c2ccccc2c(C(=O)CSc2nnc(CN3CCCC3)o2)c1-c1ccccc1 ZINC000009127181 569505076 /nfs/dbraw/zinc/50/50/76/569505076.db2.gz ULHIBQANJSQQRK-UHFFFAOYSA-N 0 0 432.549 4.799 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000009127950 569505308 /nfs/dbraw/zinc/50/53/08/569505308.db2.gz REQDWXWWNPCXEU-ZDUSSCGKSA-N 0 0 444.281 4.890 50 0 IJAARN CN(Cc1ccc(Br)s1)C(=O)CCOc1cccc(Br)c1 ZINC000069428114 569506230 /nfs/dbraw/zinc/50/62/30/569506230.db2.gz TUYDEAPQUNIYIJ-UHFFFAOYSA-N 0 0 433.165 4.701 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2C1=O ZINC000009134538 569507059 /nfs/dbraw/zinc/50/70/59/569507059.db2.gz CTWWGERVVYULJO-UHFFFAOYSA-N 0 0 448.475 4.737 50 0 IJAARN O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1F ZINC000009144414 569507326 /nfs/dbraw/zinc/50/73/26/569507326.db2.gz MNYVJZXPUUNGCV-UHFFFAOYSA-N 0 0 426.473 4.665 50 0 IJAARN CN(C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)C1CCCCC1 ZINC000009152318 569507724 /nfs/dbraw/zinc/50/77/24/569507724.db2.gz 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CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc3ncccc32)[C@@H]1c1ccc(OC)cc1 ZINC000009223961 569513051 /nfs/dbraw/zinc/51/30/51/569513051.db2.gz HGCNBXRSIAUMIV-BWKNWUBXSA-N 0 0 431.536 4.962 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000009237181 569514196 /nfs/dbraw/zinc/51/41/96/569514196.db2.gz FGMDXZWIBYWVEE-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccccc1 ZINC000009238269 569514234 /nfs/dbraw/zinc/51/42/34/569514234.db2.gz UKKPKDMXECBKFZ-PMACEKPBSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1C ZINC000009238260 569514268 /nfs/dbraw/zinc/51/42/68/569514268.db2.gz DASANNYKMLNWFL-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238331 569514305 /nfs/dbraw/zinc/51/43/05/569514305.db2.gz DTOMAEGQLGABGB-WOJBJXKFSA-N 0 0 449.486 4.621 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2cccnc2)C3=O)c1 ZINC000009243325 569514821 /nfs/dbraw/zinc/51/48/21/569514821.db2.gz FQYQNEKUULWCKP-HSZRJFAPSA-N 0 0 428.467 4.679 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)s1 ZINC000009254356 569516391 /nfs/dbraw/zinc/51/63/91/569516391.db2.gz OIOSRWCKLAMOBT-NSHDSACASA-N 0 0 447.607 4.596 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000009255033 569516476 /nfs/dbraw/zinc/51/64/76/569516476.db2.gz UYSHJXMGQOTEKN-JOCHJYFZSA-N 0 0 431.916 4.549 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000009266738 569517456 /nfs/dbraw/zinc/51/74/56/569517456.db2.gz WJZTYGSDXGQZDP-UHFFFAOYSA-N 0 0 440.503 4.954 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000009266659 569517462 /nfs/dbraw/zinc/51/74/62/569517462.db2.gz LWHGVESXDVFVQM-UHFFFAOYSA-N 0 0 440.547 4.978 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)cc1 ZINC000009268293 569517586 /nfs/dbraw/zinc/51/75/86/569517586.db2.gz 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Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009293298 569520200 /nfs/dbraw/zinc/52/02/00/569520200.db2.gz LXWOAUWGBPDMFG-VXKWHMMOSA-N 0 0 431.858 4.678 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009293321 569520206 /nfs/dbraw/zinc/52/02/06/569520206.db2.gz DAGBMANEPOBDFA-NRFANRHFSA-N 0 0 432.863 4.595 50 0 IJAARN Fc1cc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)ccc1Cl ZINC000009293549 569520253 /nfs/dbraw/zinc/52/02/53/569520253.db2.gz WQFFPBVYTVNRFG-VXKWHMMOSA-N 0 0 431.858 4.678 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=N1)[C@H](c1ccc(Cl)cc1)O2 ZINC000009293545 569520256 /nfs/dbraw/zinc/52/02/56/569520256.db2.gz KQGFMGGWTVMSPE-PKTZIBPZSA-N 0 0 427.895 4.848 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 ZINC000009308535 569521499 /nfs/dbraw/zinc/52/14/99/569521499.db2.gz XQLBIZHPNSKQMW-UHFFFAOYSA-N 0 0 425.739 4.721 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(C)cc2)n2ccccc12 ZINC000009316940 569522273 /nfs/dbraw/zinc/52/22/73/569522273.db2.gz IRDKXLSFAFLNDS-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)c1 ZINC000009316757 569522298 /nfs/dbraw/zinc/52/22/98/569522298.db2.gz YFNHCNZKCMFKEN-UHFFFAOYSA-N 0 0 443.503 4.639 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn32)cc1OC ZINC000009316829 569522313 /nfs/dbraw/zinc/52/23/13/569522313.db2.gz WUWMOSYCZPYTNU-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN Cn1c2ccccc2c(=O)c(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccccc1Cl ZINC000009327869 569522774 /nfs/dbraw/zinc/52/27/74/569522774.db2.gz GLHWZLIGUBYMOY-UHFFFAOYSA-N 0 0 432.863 4.840 50 0 IJAARN Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009339133 569523723 /nfs/dbraw/zinc/52/37/23/569523723.db2.gz JXGHJLXYGJPWOM-RDPSFJRHSA-N 0 0 433.508 4.616 50 0 IJAARN COc1ccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2-c2ccccc2OC)cc1 ZINC000009339160 569523735 /nfs/dbraw/zinc/52/37/35/569523735.db2.gz MBCRLAJBKLMISP-UHFFFAOYSA-N 0 0 447.516 4.973 50 0 IJAARN COc1ccccc1C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000009344922 569524064 /nfs/dbraw/zinc/52/40/64/569524064.db2.gz YAQRYNCTSOAIAN-RTWAWAEBSA-N 0 0 425.492 4.685 50 0 IJAARN COc1ccccc1C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000009344924 569524091 /nfs/dbraw/zinc/52/40/91/569524091.db2.gz YAQRYNCTSOAIAN-NHCUHLMSSA-N 0 0 425.492 4.685 50 0 IJAARN CC(C)(C)OC(=O)NCC1CCC(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000009346047 569524215 /nfs/dbraw/zinc/52/42/15/569524215.db2.gz RGBKNQPTVAWOIS-UHFFFAOYSA-N 0 0 441.524 4.518 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC ZINC000009347723 569524301 /nfs/dbraw/zinc/52/43/01/569524301.db2.gz MJTVFPRTIJAPFI-XMMPIXPASA-N 0 0 441.483 4.864 50 0 IJAARN COCCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000009348803 569524583 /nfs/dbraw/zinc/52/45/83/569524583.db2.gz HRDVYCROHXXRKW-UHFFFAOYSA-N 0 0 437.467 4.739 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2cc(Cl)ccc2c1=O ZINC000009354371 569525015 /nfs/dbraw/zinc/52/50/15/569525015.db2.gz CNAGLCVJPZIWRG-HNNXBMFYSA-N 0 0 430.957 4.677 50 0 IJAARN O=C(CCC(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3)c1ccc(Cl)s1 ZINC000069947749 569525068 /nfs/dbraw/zinc/52/50/68/569525068.db2.gz ZHWHARYWNCYRAO-UHFFFAOYSA-N 0 0 445.968 4.990 50 0 IJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccc(F)cc1)cc2C ZINC000009354644 569525092 /nfs/dbraw/zinc/52/50/92/569525092.db2.gz KUTSUIWBFXFMCG-UHFFFAOYSA-N 0 0 449.228 4.851 50 0 IJAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1Cc2ccccc2-c2ccccc2C1 ZINC000069950920 569525378 /nfs/dbraw/zinc/52/53/78/569525378.db2.gz LGQINFNKHNLSMQ-FQEVSTJZSA-N 0 0 441.575 4.717 50 0 IJAARN CCCOc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1 ZINC000009368075 569526574 /nfs/dbraw/zinc/52/65/74/569526574.db2.gz MCZMEISYJVZECF-UHFFFAOYSA-N 0 0 435.505 4.505 50 0 IJAARN O=C(Nc1cccc2ccccc21)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009368499 569526590 /nfs/dbraw/zinc/52/65/90/569526590.db2.gz UXJGMIWXBYEEAI-UHFFFAOYSA-N 0 0 442.540 4.839 50 0 IJAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1=O ZINC000009372935 569526980 /nfs/dbraw/zinc/52/69/80/569526980.db2.gz UMFSQYOVWFGLHN-AREMUKBSSA-N 0 0 443.503 4.665 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000009372973 569526989 /nfs/dbraw/zinc/52/69/89/569526989.db2.gz PCPKEVRUZMKUNV-MRXNPFEDSA-N 0 0 441.356 4.573 50 0 IJAARN O=C(CSc1nncs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009376194 569527278 /nfs/dbraw/zinc/52/72/78/569527278.db2.gz PLOYQKHHXRCTKT-UHFFFAOYSA-N 0 0 438.456 4.540 50 0 IJAARN C[C@@H](NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1)c1cc2ccccc2o1 ZINC000009387948 569528490 /nfs/dbraw/zinc/52/84/90/569528490.db2.gz DJYCTQHENZUXSJ-GOSISDBHSA-N 0 0 428.488 4.619 50 0 IJAARN CCCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccccc1Cl ZINC000009390755 569528751 /nfs/dbraw/zinc/52/87/51/569528751.db2.gz BVTFIFJCVWYCNV-UHFFFAOYSA-N 0 0 430.961 4.752 50 0 IJAARN CCc1cccc(C)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1S[C@@H](C)CC ZINC000009390849 569528788 /nfs/dbraw/zinc/52/87/88/569528788.db2.gz LOUOSLOUUOSFCV-KRWDZBQOSA-N 0 0 438.597 4.967 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NC1CCCCC1 ZINC000009391813 569529054 /nfs/dbraw/zinc/52/90/54/569529054.db2.gz PNLGJVRYUOIJIT-UHFFFAOYSA-N 0 0 435.593 4.612 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000009404353 569529650 /nfs/dbraw/zinc/52/96/50/569529650.db2.gz WMDHQZJKZWTZEQ-QFIPXVFZSA-N 0 0 426.925 4.889 50 0 IJAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1ccc(OCC)cc1 ZINC000009405680 569529993 /nfs/dbraw/zinc/52/99/93/569529993.db2.gz LZNZQVMPENVGMY-UHFFFAOYSA-N 0 0 439.581 4.948 50 0 IJAARN Cc1ccc(-c2cn3c4ccc(C(=O)N5CCC6(CC5)OCCO6)cc4sc3n2)cc1 ZINC000009406335 569530040 /nfs/dbraw/zinc/53/00/40/569530040.db2.gz MMJRNPWYJQNXBZ-UHFFFAOYSA-N 0 0 433.533 4.504 50 0 IJAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2ccc(F)c(Cl)c2)c3C)n1 ZINC000009407831 569530346 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IJAARN COc1cccc(NCc2nnc(S[C@H](C)C(=O)N3CCCC3)n2C2CCCCC2)c1 ZINC000009415255 569532150 /nfs/dbraw/zinc/53/21/50/569532150.db2.gz HMNSSFRWRYUGNV-QGZVFWFLSA-N 0 0 443.617 4.507 50 0 IJAARN COc1ccc(Cn2nnnc2S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000009416156 569532256 /nfs/dbraw/zinc/53/22/56/569532256.db2.gz OZPYXPQXPRALQV-JOCHJYFZSA-N 0 0 445.548 4.511 50 0 IJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000009427640 569533410 /nfs/dbraw/zinc/53/34/10/569533410.db2.gz TUMLOLKPSYRUCZ-UHFFFAOYSA-N 0 0 431.583 4.586 50 0 IJAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(OC(C)C)cc2)N(c2nccs2)C1=O ZINC000009429714 569533750 /nfs/dbraw/zinc/53/37/50/569533750.db2.gz VCRZRWRXJAEZJL-HXUWFJFHSA-N 0 0 448.500 4.795 50 0 IJAARN CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(C)=O)=NN2c2ccc(Cl)cc2)N1C ZINC000009430990 569534021 /nfs/dbraw/zinc/53/40/21/569534021.db2.gz XKILTULBNKDFNA-LJQANCHMSA-N 0 0 439.990 4.660 50 0 IJAARN Cc1ccccc1OCc1nc2c3cnn(-c4cc(Cl)ccc4Cl)c3ncn2n1 ZINC000009431241 569534096 /nfs/dbraw/zinc/53/40/96/569534096.db2.gz IZCDUXYAAYTRJD-UHFFFAOYSA-N 0 0 425.279 4.657 50 0 IJAARN CCc1ccc2oc(C(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000009431307 569534157 /nfs/dbraw/zinc/53/41/57/569534157.db2.gz CTQKKGPNMXJVBF-KRWDZBQOSA-N 0 0 431.579 4.503 50 0 IJAARN CCCn1c2nnc(CCCC(=O)Nc3ccc(C(C)C)cc3)n2c2ccsc2c1=O ZINC000009431471 569534202 /nfs/dbraw/zinc/53/42/02/569534202.db2.gz FIHJYLDAMFQSQD-UHFFFAOYSA-N 0 0 437.569 4.601 50 0 IJAARN CSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)n1 ZINC000009431767 569534271 /nfs/dbraw/zinc/53/42/71/569534271.db2.gz JAAJGYXJSOPINZ-UHFFFAOYSA-N 0 0 444.394 4.901 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432761 569534469 /nfs/dbraw/zinc/53/44/69/569534469.db2.gz ANFKFZXGBBBQKC-DHIUTWEWSA-N 0 0 434.561 4.876 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3ccc4c(c3)OCCO4)[C@@H](c3ccco3)C2)cc1 ZINC000009442377 569535519 /nfs/dbraw/zinc/53/55/19/569535519.db2.gz DDSJGIUHYSOARP-HXUWFJFHSA-N 0 0 434.517 4.829 50 0 IJAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000009451879 569536448 /nfs/dbraw/zinc/53/64/48/569536448.db2.gz JUZGYMGPYVCESO-UHFFFAOYSA-N 0 0 427.500 4.688 50 0 IJAARN CCCCCN(C(=O)Cn1cnc2ccccc2c1=O)c1nc(-c2ccccc2)cs1 ZINC000009460084 569536877 /nfs/dbraw/zinc/53/68/77/569536877.db2.gz QUADWAKTLGVXMI-UHFFFAOYSA-N 0 0 432.549 4.743 50 0 IJAARN CCc1cccc2c(C(=O)[C@@H](OC(=O)CCn3c(C)csc3=O)c3ccccc3)c[nH]c21 ZINC000009463277 569537420 /nfs/dbraw/zinc/53/74/20/569537420.db2.gz WIUQGIMWDUITGX-DEOSSOPVSA-N 0 0 448.544 4.819 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c(C)n1C[C@H]1CCCO1 ZINC000009463240 569537421 /nfs/dbraw/zinc/53/74/21/569537421.db2.gz CDQFLYNWFRESJM-QGZVFWFLSA-N 0 0 431.945 4.962 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccccc1OC ZINC000009464370 569537651 /nfs/dbraw/zinc/53/76/51/569537651.db2.gz FRIGJEPTXJISNB-UHFFFAOYSA-N 0 0 438.372 4.773 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000009466084 569538160 /nfs/dbraw/zinc/53/81/60/569538160.db2.gz RRXGDLFJQUBPRF-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1C)c1ccccc1 ZINC000009466944 569538339 /nfs/dbraw/zinc/53/83/39/569538339.db2.gz BPFJOYCGRZBHLD-QGZVFWFLSA-N 0 0 444.560 4.795 50 0 IJAARN CSCC[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 ZINC000009467813 569538476 /nfs/dbraw/zinc/53/84/76/569538476.db2.gz LWLGGWQRHIPYFS-FQEVSTJZSA-N 0 0 448.596 4.990 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000009467536 569538480 /nfs/dbraw/zinc/53/84/80/569538480.db2.gz BAHMNLGTZVUWKW-UHFFFAOYSA-N 0 0 429.596 4.948 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc(OCC)c1OCC ZINC000009471871 569538959 /nfs/dbraw/zinc/53/89/59/569538959.db2.gz QZOKPQNQAHOOKF-UHFFFAOYSA-N 0 0 437.905 4.900 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)N[C@@H](C)c2cccc3ccccc32)s1)C1CC1 ZINC000009477180 569539125 /nfs/dbraw/zinc/53/91/25/569539125.db2.gz BKVSOJCQHLRAAB-AWEZNQCLSA-N 0 0 440.594 4.566 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)N[C@H](c1cccs1)c1ccccc1 ZINC000009477290 569539171 /nfs/dbraw/zinc/53/91/71/569539171.db2.gz PGNKAFZWUUFSOR-FQEVSTJZSA-N 0 0 440.981 4.980 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009478622 569539359 /nfs/dbraw/zinc/53/93/59/569539359.db2.gz RPDKSXAYCPKRFZ-AWEZNQCLSA-N 0 0 435.557 4.658 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000009483094 569539465 /nfs/dbraw/zinc/53/94/65/569539465.db2.gz KXQQHFSNMQHTPQ-MRXNPFEDSA-N 0 0 431.414 4.557 50 0 IJAARN CCOc1cccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000009487063 569539714 /nfs/dbraw/zinc/53/97/14/569539714.db2.gz MGEKAUFTVFYLFQ-QFIPXVFZSA-N 0 0 430.460 4.800 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000009490519 569540165 /nfs/dbraw/zinc/54/01/65/569540165.db2.gz MVJTTZDAMBLSLA-UHFFFAOYSA-N 0 0 432.904 4.947 50 0 IJAARN CN(C)S(=O)(=O)c1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000009490898 569540215 /nfs/dbraw/zinc/54/02/15/569540215.db2.gz MHGSRKBSTPUHJO-UHFFFAOYSA-N 0 0 438.789 4.706 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1ccco1 ZINC000009491975 569540446 /nfs/dbraw/zinc/54/04/46/569540446.db2.gz GQPOXUGWNACQRB-UHFFFAOYSA-N 0 0 429.502 4.551 50 0 IJAARN COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1 ZINC000009496240 569541160 /nfs/dbraw/zinc/54/11/60/569541160.db2.gz CUXWXRQPZHAGQT-OAHLLOKOSA-N 0 0 439.471 4.882 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cccc5ccccc54)C3=O)ccc2c1 ZINC000009497066 569541251 /nfs/dbraw/zinc/54/12/51/569541251.db2.gz XSDFWDRDJKWBNA-MHZLTWQESA-N 0 0 438.483 4.652 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1OC ZINC000009499802 569541500 /nfs/dbraw/zinc/54/15/00/569541500.db2.gz MCJWGSMENSDSTP-UHFFFAOYSA-N 0 0 449.536 4.563 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC(C)CC1 ZINC000009500498 569541555 /nfs/dbraw/zinc/54/15/55/569541555.db2.gz NOECAKXXPQNFRM-OAHLLOKOSA-N 0 0 434.993 4.585 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000009507449 569542003 /nfs/dbraw/zinc/54/20/03/569542003.db2.gz YAQKAGIZZJENFL-UHFFFAOYSA-N 0 0 448.573 4.988 50 0 IJAARN Cc1ccccc1Nc1nc(CSc2nnc(Cc3ccccc3F)n2N)cs1 ZINC000009507462 569542088 /nfs/dbraw/zinc/54/20/88/569542088.db2.gz LVVAACORYRLLFL-UHFFFAOYSA-N 0 0 426.546 4.523 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccc(F)c(F)c1F ZINC000009508704 569542408 /nfs/dbraw/zinc/54/24/08/569542408.db2.gz HUVMRLMCPHRKSU-UHFFFAOYSA-N 0 0 447.463 4.811 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1cccc(C)c1 ZINC000009539585 569545643 /nfs/dbraw/zinc/54/56/43/569545643.db2.gz CVKYBHXHFJIFRC-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)C1 ZINC000009544746 569546029 /nfs/dbraw/zinc/54/60/29/569546029.db2.gz NRHXKCKBMAJGNY-QGZVFWFLSA-N 0 0 441.000 4.997 50 0 IJAARN CCC(=O)c1cc(Br)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl ZINC000009545087 569546093 /nfs/dbraw/zinc/54/60/93/569546093.db2.gz FDQTXKYDZOZQOS-UHFFFAOYSA-N 0 0 442.712 4.872 50 0 IJAARN Cc1nn(-c2ccc(C)cc2C)c(OC(=O)c2ccccc2)c1S(=O)(=O)c1ccccc1 ZINC000009559093 569546955 /nfs/dbraw/zinc/54/69/55/569546955.db2.gz UFXILJPQWWZDQU-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1c[nH]c2ccccc21 ZINC000009559644 569546996 /nfs/dbraw/zinc/54/69/96/569546996.db2.gz YXPLVEBOOXETFO-DHIUTWEWSA-N 0 0 431.442 4.995 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1 ZINC000009561347 569547124 /nfs/dbraw/zinc/54/71/24/569547124.db2.gz XRPDXTYBUIMGSK-UHFFFAOYSA-N 0 0 428.883 4.605 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)c1 ZINC000009576417 569548059 /nfs/dbraw/zinc/54/80/59/569548059.db2.gz PDPPUCUXZKYFJX-JOCHJYFZSA-N 0 0 448.544 4.680 50 0 IJAARN O=C(Cn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O)Nc1ccccc1 ZINC000009576048 569548072 /nfs/dbraw/zinc/54/80/72/569548072.db2.gz HQDDQKIOXBRMEK-UHFFFAOYSA-N 0 0 440.322 4.526 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000009581821 569549171 /nfs/dbraw/zinc/54/91/71/569549171.db2.gz NYJVOOYIRMZESA-QFQUIRTJSA-N 0 0 429.564 4.962 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1F ZINC000009583373 569549288 /nfs/dbraw/zinc/54/92/88/569549288.db2.gz WVFHCQKKXAPTFK-UHFFFAOYSA-N 0 0 432.904 4.865 50 0 IJAARN CCOc1c(Br)cc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1OC ZINC000009586699 569549734 /nfs/dbraw/zinc/54/97/34/569549734.db2.gz UOAYMMNKJKSSOO-UHFFFAOYSA-N 0 0 434.315 4.627 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c(Cl)cc1Cl ZINC000009587297 569549767 /nfs/dbraw/zinc/54/97/67/569549767.db2.gz OEMHGJHOAOMJBH-UHFFFAOYSA-N 0 0 442.759 4.877 50 0 IJAARN O=C(Nc1ccccc1F)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009593831 569550488 /nfs/dbraw/zinc/55/04/88/569550488.db2.gz ZBICHAAMRJSZCQ-PMACEKPBSA-N 0 0 449.486 4.621 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)cc1 ZINC000009599600 569551290 /nfs/dbraw/zinc/55/12/90/569551290.db2.gz ACVRFEUUMREXND-UHFFFAOYSA-N 0 0 438.549 4.547 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000009606927 569551948 /nfs/dbraw/zinc/55/19/48/569551948.db2.gz KARICEUQYVMRDX-QGZVFWFLSA-N 0 0 430.533 4.593 50 0 IJAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4F)c(C)n3n2)c1 ZINC000009609228 569552275 /nfs/dbraw/zinc/55/22/75/569552275.db2.gz ACWDSYQKOGEPJS-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000009610799 569552638 /nfs/dbraw/zinc/55/26/38/569552638.db2.gz IFENKTNCBRLYOE-UHFFFAOYSA-N 0 0 433.891 4.951 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1[C@@H](C)Oc1ccccc1 ZINC000009615057 569553158 /nfs/dbraw/zinc/55/31/58/569553158.db2.gz CUDSAODKFLTNAG-CYBMUJFWSA-N 0 0 432.933 4.528 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cc2NC1=O ZINC000009619695 569553398 /nfs/dbraw/zinc/55/33/98/569553398.db2.gz KLUNZUBTCKTLBH-HNNXBMFYSA-N 0 0 444.516 4.632 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000009629750 569553602 /nfs/dbraw/zinc/55/36/02/569553602.db2.gz IMKPHEHCYCUDDG-UHFFFAOYSA-N 0 0 446.981 4.755 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1cccc(C)c1C ZINC000009632684 569554065 /nfs/dbraw/zinc/55/40/65/569554065.db2.gz ZUZITLTYAYXTSE-UHFFFAOYSA-N 0 0 446.334 4.959 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)Nc1ccccc1C ZINC000009632686 569554092 /nfs/dbraw/zinc/55/40/92/569554092.db2.gz XBSBSYJKOVTKCV-UHFFFAOYSA-N 0 0 432.307 4.651 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000009633849 569554358 /nfs/dbraw/zinc/55/43/58/569554358.db2.gz QQXBZJOROBQGML-UHFFFAOYSA-N 0 0 430.942 4.855 50 0 IJAARN O=C(COc1ncnc2ccc(Br)cc21)NC(c1ccccc1)c1ccccc1 ZINC000009634726 569554486 /nfs/dbraw/zinc/55/44/86/569554486.db2.gz UTGUKRAXMCNREP-UHFFFAOYSA-N 0 0 448.320 4.677 50 0 IJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2F)n1Cc1ccc(F)cc1 ZINC000009638309 569554996 /nfs/dbraw/zinc/55/49/96/569554996.db2.gz CRPYMTVKMLVHSF-IBGZPJMESA-N 0 0 430.252 4.889 50 0 IJAARN Cc1cc(C)cc(OCCSc2nc(-c3ccccc3Cl)nc3cc(=O)[nH]n32)c1 ZINC000009640795 569555467 /nfs/dbraw/zinc/55/54/67/569555467.db2.gz CJNHYTYNNPEAHL-UHFFFAOYSA-N 0 0 426.929 4.526 50 0 IJAARN Cc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3ccc(Cl)cc3C)n2)cc1 ZINC000009640692 569555469 /nfs/dbraw/zinc/55/54/69/569555469.db2.gz HWJQKIFPUHGRAT-UHFFFAOYSA-N 0 0 426.929 4.526 50 0 IJAARN CC(=O)c1sc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000009641259 569555598 /nfs/dbraw/zinc/55/55/98/569555598.db2.gz SGUVHWLNLDSWDC-UHFFFAOYSA-N 0 0 441.940 4.815 50 0 IJAARN O=C(CSc1ncnc2sccc21)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000009641329 569555616 /nfs/dbraw/zinc/55/56/16/569555616.db2.gz UNYDFOSWBXIFAW-UHFFFAOYSA-N 0 0 438.509 4.814 50 0 IJAARN O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)C(c1ccccc1)c1ccccc1 ZINC000009660952 569556930 /nfs/dbraw/zinc/55/69/30/569556930.db2.gz GJRGHXLYPXIQEP-UHFFFAOYSA-N 0 0 443.934 4.512 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)NCc1ccccc1Cl ZINC000009663229 569557215 /nfs/dbraw/zinc/55/72/15/569557215.db2.gz BHBZXULLZUSAOU-UHFFFAOYSA-N 0 0 438.734 4.561 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C ZINC000009664752 569557449 /nfs/dbraw/zinc/55/74/49/569557449.db2.gz OSHYHKMNLSJGGR-LLVKDONJSA-N 0 0 430.810 4.690 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000009669935 569558190 /nfs/dbraw/zinc/55/81/90/569558190.db2.gz FCGQXVXBZNJCCG-HOTGVXAUSA-N 0 0 441.988 4.864 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCC2)cc1 ZINC000009670328 569558267 /nfs/dbraw/zinc/55/82/67/569558267.db2.gz IKADIZVRQCLSCX-UHFFFAOYSA-N 0 0 433.552 4.672 50 0 IJAARN CN(Cc1ccco1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000009672095 569558738 /nfs/dbraw/zinc/55/87/38/569558738.db2.gz WZIFIJSXGOVRGB-UHFFFAOYSA-N 0 0 439.320 4.659 50 0 IJAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccc2cccnc21 ZINC000009672356 569558779 /nfs/dbraw/zinc/55/87/79/569558779.db2.gz RGAZGJGBMLTGLW-UHFFFAOYSA-N 0 0 439.443 4.566 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000009673139 569558839 /nfs/dbraw/zinc/55/88/39/569558839.db2.gz ZQOYIAJYQUUQNJ-XGHQBKJUSA-N 0 0 446.613 4.860 50 0 IJAARN CCOc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009674040 569559046 /nfs/dbraw/zinc/55/90/46/569559046.db2.gz RLXDHTQHPDOUDP-UHFFFAOYSA-N 0 0 443.547 4.937 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)NCCOC)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000009674149 569559112 /nfs/dbraw/zinc/55/91/12/569559112.db2.gz HVRIJJWXTICMEU-UHFFFAOYSA-N 0 0 429.973 4.814 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679501 569559868 /nfs/dbraw/zinc/55/98/68/569559868.db2.gz RZUZOJMLBWSPIY-IBGZPJMESA-N 0 0 430.291 4.951 50 0 IJAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 ZINC000009684882 569560594 /nfs/dbraw/zinc/56/05/94/569560594.db2.gz WYFOGHBNQVHSMX-UHFFFAOYSA-N 0 0 428.945 4.942 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(-c3ccno3)cc1)[nH]c1c2C(=O)CCC1 ZINC000009685970 569560690 /nfs/dbraw/zinc/56/06/90/569560690.db2.gz NEDQPDHTGJLPQL-UHFFFAOYSA-N 0 0 435.505 4.705 50 0 IJAARN COc1ccc(NC(=O)c2cc3c(s2)c2ccc(Cl)cc2n(C)c3=O)c(OC)c1 ZINC000009693031 569561143 /nfs/dbraw/zinc/56/11/43/569561143.db2.gz NDXXIDNKUMSERO-UHFFFAOYSA-N 0 0 428.897 4.676 50 0 IJAARN CCN(CCNC(=O)CSCc1nc(-c2cccc(OC)c2)oc1C)c1ccccc1 ZINC000009693938 569561210 /nfs/dbraw/zinc/56/12/10/569561210.db2.gz HCLALPPJGPQIED-UHFFFAOYSA-N 0 0 439.581 4.535 50 0 IJAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000009704119 569561432 /nfs/dbraw/zinc/56/14/32/569561432.db2.gz SYFMPPYSIJMCFE-UHFFFAOYSA-N 0 0 427.353 4.729 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000009712110 569562098 /nfs/dbraw/zinc/56/20/98/569562098.db2.gz RIKRWRYSEIRTES-IAGOWNOFSA-N 0 0 439.606 4.616 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cccc(OCc2c(C)noc2C)c1 ZINC000009712084 569562105 /nfs/dbraw/zinc/56/21/05/569562105.db2.gz JKAAUFCTTYUWJV-UHFFFAOYSA-N 0 0 436.468 4.566 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000009712111 569562116 /nfs/dbraw/zinc/56/21/16/569562116.db2.gz RIKRWRYSEIRTES-DLBZAZTESA-N 0 0 439.606 4.616 50 0 IJAARN COc1ccc(-c2cn3nc(CNc4ccc(OC)cc4OC)n4c3c2CCCC4)cc1 ZINC000009715192 569563057 /nfs/dbraw/zinc/56/30/57/569563057.db2.gz SGGXKAGMGDAHPJ-UHFFFAOYSA-N 0 0 432.524 4.777 50 0 IJAARN COc1ccc(-c2cn3nc(CNc4cc(OC)ccc4OC)n4c3c2CCCC4)cc1 ZINC000009715200 569563062 /nfs/dbraw/zinc/56/30/62/569563062.db2.gz LDTURPAOWQKCSV-UHFFFAOYSA-N 0 0 432.524 4.777 50 0 IJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000009725290 569563748 /nfs/dbraw/zinc/56/37/48/569563748.db2.gz NBLXPYSGWBELAM-UHFFFAOYSA-N 0 0 438.535 4.987 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccccc1F ZINC000009727029 569563938 /nfs/dbraw/zinc/56/39/38/569563938.db2.gz LRMKQOBYPCCIDW-UHFFFAOYSA-N 0 0 431.537 4.757 50 0 IJAARN COc1ccc(NC(=O)[C@@H](Sc2nnnn2C2CCCC2)c2ccccc2)cc1Cl ZINC000009739562 569565082 /nfs/dbraw/zinc/56/50/82/569565082.db2.gz KWAPPWFGMKIUAU-IBGZPJMESA-N 0 0 443.960 4.922 50 0 IJAARN COc1cc(CN(C)C(=O)c2ccc(-n3cccn3)cc2)ccc1OCc1ccccc1 ZINC000009744869 569565613 /nfs/dbraw/zinc/56/56/13/569565613.db2.gz CUYXNQHCBVFSBC-UHFFFAOYSA-N 0 0 427.504 4.732 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Br ZINC000009747831 569565888 /nfs/dbraw/zinc/56/58/88/569565888.db2.gz RYDHKRHJXZOYFS-HNNXBMFYSA-N 0 0 430.346 4.570 50 0 IJAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1cccc(Cl)c1 ZINC000009764358 569566779 /nfs/dbraw/zinc/56/67/79/569566779.db2.gz ZLBSKGOIOYLFQU-UHFFFAOYSA-N 0 0 434.978 4.875 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000009766218 569566847 /nfs/dbraw/zinc/56/68/47/569566847.db2.gz PJUZBXYNWFLOOP-SFHVURJKSA-N 0 0 432.549 4.611 50 0 IJAARN Cc1cccc(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)c1 ZINC000009775258 569566966 /nfs/dbraw/zinc/56/69/66/569566966.db2.gz QDXGTEVNWFWISB-UHFFFAOYSA-N 0 0 440.381 4.705 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009780547 569567483 /nfs/dbraw/zinc/56/74/83/569567483.db2.gz HLOKIDLXADKADA-UHFFFAOYSA-N 0 0 439.471 4.680 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000009790260 569568168 /nfs/dbraw/zinc/56/81/68/569568168.db2.gz XMGHCFROQQSLSJ-FQEVSTJZSA-N 0 0 432.505 4.635 50 0 IJAARN C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009792682 569568287 /nfs/dbraw/zinc/56/82/87/569568287.db2.gz RLWYSEHLGNUKTF-MGPUTAFESA-N 0 0 427.591 4.904 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)o1 ZINC000009794538 569568369 /nfs/dbraw/zinc/56/83/69/569568369.db2.gz JLVIXPLIENWSPT-UHFFFAOYSA-N 0 0 436.777 4.582 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 ZINC000009805669 569568735 /nfs/dbraw/zinc/56/87/35/569568735.db2.gz QUBWNVJFKFAZNH-UHFFFAOYSA-N 0 0 436.921 4.622 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000009811837 569569044 /nfs/dbraw/zinc/56/90/44/569569044.db2.gz UZMACNAHGSUSRA-SJLPKXTDSA-N 0 0 439.943 4.624 50 0 IJAARN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2ccc(F)cc2)cc1=O ZINC000009815998 569569221 /nfs/dbraw/zinc/56/92/21/569569221.db2.gz IOEHXODAACGUSK-UHFFFAOYSA-N 0 0 426.513 4.544 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000009819801 569569367 /nfs/dbraw/zinc/56/93/67/569569367.db2.gz SMJSQQZNEYGLSN-UHFFFAOYSA-N 0 0 449.001 4.967 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(-n3cccn3)cc1)CC2 ZINC000009823994 569569610 /nfs/dbraw/zinc/56/96/10/569569610.db2.gz UBEQRAZWXGFHKZ-AREMUKBSSA-N 0 0 439.515 4.677 50 0 IJAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C1=O ZINC000009827888 569569707 /nfs/dbraw/zinc/56/97/07/569569707.db2.gz BZIWLGWQEOQILN-UHFFFAOYSA-N 0 0 434.517 4.749 50 0 IJAARN CCCCOc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1 ZINC000009829214 569569950 /nfs/dbraw/zinc/56/99/50/569569950.db2.gz MIJLCVSXPDIXRC-UHFFFAOYSA-N 0 0 440.521 4.737 50 0 IJAARN C[C@H](Sc1nnnn1C1CCCC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000009832141 569570278 /nfs/dbraw/zinc/57/02/78/569570278.db2.gz IJACMWOCPVICJX-JTQLQIEISA-N 0 0 430.584 4.668 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])cc1OC ZINC000009833296 569570348 /nfs/dbraw/zinc/57/03/48/569570348.db2.gz HQBNFZKKOPFCOA-UHFFFAOYSA-N 0 0 444.531 4.737 50 0 IJAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)Nc1ccccc1N1CCCC1 ZINC000009834283 569570565 /nfs/dbraw/zinc/57/05/65/569570565.db2.gz PZTRGIIAHJTTSJ-UHFFFAOYSA-N 0 0 443.573 4.620 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2)c1cccs1 ZINC000009849979 569571356 /nfs/dbraw/zinc/57/13/56/569571356.db2.gz ZWVZWKOGRZDDBN-UHFFFAOYSA-N 0 0 444.306 4.765 50 0 IJAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000009855866 569571577 /nfs/dbraw/zinc/57/15/77/569571577.db2.gz VZLJIUWJCYTGGU-UHFFFAOYSA-N 0 0 428.463 4.573 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1cc(C)ccc1C ZINC000009859024 569571762 /nfs/dbraw/zinc/57/17/62/569571762.db2.gz GBQRJMIXKCABPJ-UHFFFAOYSA-N 0 0 447.556 4.816 50 0 IJAARN CCc1ccc(S(=O)(=O)c2cn(Cc3ccccc3C)c3ccc(OC)cc3c2=O)cc1 ZINC000009859037 569571786 /nfs/dbraw/zinc/57/17/86/569571786.db2.gz PYKOQGNNTPBARX-UHFFFAOYSA-N 0 0 447.556 4.762 50 0 IJAARN O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009865752 569572143 /nfs/dbraw/zinc/57/21/43/569572143.db2.gz DSSHPWUSTOFJSW-UHFFFAOYSA-N 0 0 429.545 4.586 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009871339 569572356 /nfs/dbraw/zinc/57/23/56/569572356.db2.gz NLLVGJGSVSRMTA-HNNXBMFYSA-N 0 0 439.610 4.598 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)cc2)cs1 ZINC000009884720 569572811 /nfs/dbraw/zinc/57/28/11/569572811.db2.gz MUXPWAYSUOQQAU-QGZVFWFLSA-N 0 0 425.941 4.759 50 0 IJAARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)Nc1sccc1C(N)=O ZINC000009885048 569572835 /nfs/dbraw/zinc/57/28/35/569572835.db2.gz FSEBRIALFHRILT-LLVKDONJSA-N 0 0 440.575 4.638 50 0 IJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000009885142 569572853 /nfs/dbraw/zinc/57/28/53/569572853.db2.gz YVBLSRGVWLOYMN-HNNXBMFYSA-N 0 0 426.973 4.654 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2cccc(Cl)c2)cc1 ZINC000009892015 569572963 /nfs/dbraw/zinc/57/29/63/569572963.db2.gz HZAMNYQZHJKOHH-GOSISDBHSA-N 0 0 442.968 4.721 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 ZINC000009903437 569573062 /nfs/dbraw/zinc/57/30/62/569573062.db2.gz IIXGNRHFPMTYHS-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2c1=O ZINC000009951420 569574476 /nfs/dbraw/zinc/57/44/76/569574476.db2.gz OLLAUEFPLPLVOJ-KRWDZBQOSA-N 0 0 446.576 4.682 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1C ZINC000009951603 569574501 /nfs/dbraw/zinc/57/45/01/569574501.db2.gz ALTJIOCCZWJZDX-UHFFFAOYSA-N 0 0 445.548 4.511 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000009951983 569574548 /nfs/dbraw/zinc/57/45/48/569574548.db2.gz ZXICKWSSRHKRFN-JKSUJKDBSA-N 0 0 426.611 4.960 50 0 IJAARN COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(C)cc3)c2=O)c1 ZINC000009959549 569575196 /nfs/dbraw/zinc/57/51/96/569575196.db2.gz MQJKDUWNAAROLG-UHFFFAOYSA-N 0 0 428.513 4.732 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4SCCS4)cc3)CC2)cc1 ZINC000009984154 569576662 /nfs/dbraw/zinc/57/66/62/569576662.db2.gz XVCHMAOXLNTSDK-UHFFFAOYSA-N 0 0 427.591 4.909 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009986820 569576800 /nfs/dbraw/zinc/57/68/00/569576800.db2.gz NYJTZKDQUMKHPC-DEOSSOPVSA-N 0 0 448.607 4.860 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000010109589 569577959 /nfs/dbraw/zinc/57/79/59/569577959.db2.gz SFZMVWHONSOLBC-UNMCSNQZSA-N 0 0 447.608 4.662 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000010109591 569577965 /nfs/dbraw/zinc/57/79/65/569577965.db2.gz SFZMVWHONSOLBC-RBBKRZOGSA-N 0 0 447.608 4.662 50 0 IJAARN CCOCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O ZINC000010137637 569578076 /nfs/dbraw/zinc/57/80/76/569578076.db2.gz WTTQNOJQHACMQJ-UHFFFAOYSA-N 0 0 439.581 4.677 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(F)cc3)nc21 ZINC000010186773 569578469 /nfs/dbraw/zinc/57/84/69/569578469.db2.gz AHRAARWJICQILG-UHFFFAOYSA-N 0 0 437.496 4.624 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccccc3S(C)(=O)=O)nc21 ZINC000010187495 569578576 /nfs/dbraw/zinc/57/85/76/569578576.db2.gz CKKJSESBMIYJDM-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214175 569579067 /nfs/dbraw/zinc/57/90/67/569579067.db2.gz NPMYOWWKQRVZEW-HXUWFJFHSA-N 0 0 441.915 4.538 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N1CCS[C@H]1c1ccccc1F ZINC000010214846 569579167 /nfs/dbraw/zinc/57/91/67/569579167.db2.gz MMVAJFIBAVPSIN-DEOSSOPVSA-N 0 0 436.508 4.731 50 0 IJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000010246499 569579744 /nfs/dbraw/zinc/57/97/44/569579744.db2.gz DORLNUWSXYLCOO-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000010327585 569581009 /nfs/dbraw/zinc/58/10/09/569581009.db2.gz BMUAJIRKVIVXMG-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN COc1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(cccc3C)s2)cc1OC ZINC000010381534 569581612 /nfs/dbraw/zinc/58/16/12/569581612.db2.gz PHFDYWLZIINPDO-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN COc1cc(OC)cc(C(=O)N(CCCn2ccnc2)c2nc3c(cccc3C)s2)c1 ZINC000010381533 569581621 /nfs/dbraw/zinc/58/16/21/569581621.db2.gz BDDSRPAOPOEQON-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN Cc1noc([C@@H]2CCCN(C(=O)c3ccccc3Nc3ccc(OC(F)F)cc3)C2)n1 ZINC000071830308 569582103 /nfs/dbraw/zinc/58/21/03/569582103.db2.gz DZHVKPNKSIJNLX-OAHLLOKOSA-N 0 0 428.439 4.743 50 0 IJAARN Cc1ccc(Sc2ccc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc2)cc1C ZINC000071851780 569582462 /nfs/dbraw/zinc/58/24/62/569582462.db2.gz QMPVUOMFULRIOF-UHFFFAOYSA-N 0 0 438.578 4.622 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cnc2ccccc2n1 ZINC000071877800 569582613 /nfs/dbraw/zinc/58/26/13/569582613.db2.gz UKVFHMQYZFUHKF-LJQANCHMSA-N 0 0 429.307 4.570 50 0 IJAARN CC(C)Oc1ccc(C(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000077191002 569585917 /nfs/dbraw/zinc/58/59/17/569585917.db2.gz ZHCVSPZETDIHKS-UHFFFAOYSA-N 0 0 431.414 4.782 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC[C@@H](c4nnc(-c5ccccc5F)s4)C3)[nH]c2c1 ZINC000077197916 569586239 /nfs/dbraw/zinc/58/62/39/569586239.db2.gz YSLXAUKOZOZYPQ-OAHLLOKOSA-N 0 0 436.512 4.854 50 0 IJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1nnn(-c2ccccc2F)c1-c1ccccn1 ZINC000077199883 569586258 /nfs/dbraw/zinc/58/62/58/569586258.db2.gz LXDSLUOZTWVMMI-UHFFFAOYSA-N 0 0 443.360 4.619 50 0 IJAARN COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000077200043 569586327 /nfs/dbraw/zinc/58/63/27/569586327.db2.gz XFUBVKVXYFFSBB-MRXNPFEDSA-N 0 0 430.785 4.802 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N(Cc3ccsc3)Cc3ccco3)n(C)n2)c1 ZINC000077200818 569586570 /nfs/dbraw/zinc/58/65/70/569586570.db2.gz QFVSKXHKMUEISU-UHFFFAOYSA-N 0 0 437.521 4.601 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(C3(C(=O)NC[C@@H]4CCCO4)CCCCC3)cc2)s1 ZINC000033277445 569587404 /nfs/dbraw/zinc/58/74/04/569587404.db2.gz BSZBCNFQAWEWEQ-FQEVSTJZSA-N 0 0 426.582 4.806 50 0 IJAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000008234225 291392862 /nfs/dbraw/zinc/39/28/62/291392862.db2.gz QMQIQBOGXYYATH-IDABPMKMSA-N 0 0 430.629 4.685 50 0 biogenic,in-man IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)Cc2ccccc2F)cc1 ZINC000000638497 193866440 /nfs/dbraw/zinc/86/64/40/193866440.db2.gz KUXSDNSXPWHSKN-UHFFFAOYSA-N 0 0 440.540 4.581 50 0 IJAARN CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000638589 193866776 /nfs/dbraw/zinc/86/67/76/193866776.db2.gz KDTIFMMODJAYGT-UHFFFAOYSA-N 0 0 442.151 4.559 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2)sc1NC(=O)c1ccc(C)cc1 ZINC000000645788 193869890 /nfs/dbraw/zinc/86/98/90/193869890.db2.gz BXWOPSDKYUUNFZ-UHFFFAOYSA-N 0 0 436.533 4.724 50 0 IJAARN CC(C)c1ccc(OCc2ccc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)cc2)cc1 ZINC000000653405 193873411 /nfs/dbraw/zinc/87/34/11/193873411.db2.gz CZNSKCQIFSPDNZ-JOCHJYFZSA-N 0 0 438.421 4.810 50 0 IJAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc3c(c(C(F)(F)F)c12)CCC3 ZINC000000664069 193877403 /nfs/dbraw/zinc/87/74/03/193877403.db2.gz BMKAUMDPAJJEGO-UHFFFAOYSA-N 0 0 425.863 4.969 50 0 IJAARN COc1ccccc1CNC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)ccc2c1N ZINC000000661385 193876197 /nfs/dbraw/zinc/87/61/97/193876197.db2.gz TXDDDYBPAZAARY-UHFFFAOYSA-N 0 0 449.532 4.501 50 0 IJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000006135584 193880657 /nfs/dbraw/zinc/88/06/57/193880657.db2.gz DTJLPDQZRVBTCQ-UHFFFAOYSA-N 0 0 429.977 4.911 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccco1 ZINC000009836095 193902184 /nfs/dbraw/zinc/90/21/84/193902184.db2.gz SJHNDSWPNVJJOX-INIZCTEOSA-N 0 0 436.512 4.560 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)OCc2cc(Cl)cc3c2OCOC3)cc1 ZINC000009838378 193903053 /nfs/dbraw/zinc/90/30/53/193903053.db2.gz HBKPEPOTEKUXKX-UHFFFAOYSA-N 0 0 443.883 4.676 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000009850584 193907813 /nfs/dbraw/zinc/90/78/13/193907813.db2.gz GFMJCAAHZRCVTM-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000009856128 193908802 /nfs/dbraw/zinc/90/88/02/193908802.db2.gz DQZVRFYNEOZFLE-UHFFFAOYSA-N 0 0 446.890 4.533 50 0 IJAARN CCCn1c(C(=O)NCCc2ccccn2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096276576 193952465 /nfs/dbraw/zinc/95/24/65/193952465.db2.gz AOSYMHBAHIJHAU-UHFFFAOYSA-N 0 0 440.547 4.980 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 ZINC000000717218 132229605 /nfs/dbraw/zinc/22/96/05/132229605.db2.gz SEDCYYJJQXQSBT-UHFFFAOYSA-N 0 0 429.875 4.977 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000001178829 132238632 /nfs/dbraw/zinc/23/86/32/132238632.db2.gz GFGTUUGTNHKIGR-UHFFFAOYSA-N 0 0 431.989 4.601 50 0 IJAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Br)cc1 ZINC000001206991 132239613 /nfs/dbraw/zinc/23/96/13/132239613.db2.gz NXXCDFUTGQLYLE-SFHVURJKSA-N 0 0 431.355 4.722 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)CC1 ZINC000002423877 132254210 /nfs/dbraw/zinc/25/42/10/132254210.db2.gz ODIDVVCOPJQODB-UHFFFAOYSA-N 0 0 446.576 4.675 50 0 IJAARN O=C(NC(=S)N1CCN(c2ccccc2F)CC1)c1sc2ccccc2c1Cl ZINC000002649085 132255944 /nfs/dbraw/zinc/25/59/44/132255944.db2.gz HOIIFIFDMRGZBB-UHFFFAOYSA-N 0 0 433.961 4.531 50 0 IJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@@H]4C)c3c2C)c(OC)c1 ZINC000002924196 132258727 /nfs/dbraw/zinc/25/87/27/132258727.db2.gz RUWZATNJTTYATQ-ZDUSSCGKSA-N 0 0 426.542 4.648 50 0 IJAARN C[C@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000003134697 132261804 /nfs/dbraw/zinc/26/18/04/132261804.db2.gz ILDZPNJBIOTOEO-LBPRGKRZSA-N 0 0 432.273 4.860 50 0 IJAARN O=C(Cc1ccccc1)Nc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1 ZINC000003102904 132261865 /nfs/dbraw/zinc/26/18/65/132261865.db2.gz VVTZUAQPMMTPMO-UHFFFAOYSA-N 0 0 432.479 4.920 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccccc1 ZINC000003403035 132265047 /nfs/dbraw/zinc/26/50/47/132265047.db2.gz OFYPORRKMTXSCU-UHFFFAOYSA-N 0 0 430.533 4.907 50 0 IJAARN COc1cccc(NC(=O)[C@H](CC(=O)N2CCCc3ccccc32)C(=O)c2ccccc2)c1 ZINC000003418240 132265246 /nfs/dbraw/zinc/26/52/46/132265246.db2.gz KLLVMRGVCJSPJN-HSZRJFAPSA-N 0 0 442.515 4.502 50 0 IJAARN O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccco1 ZINC000004122009 132270436 /nfs/dbraw/zinc/27/04/36/132270436.db2.gz HDBUINUQKOHOBY-UHFFFAOYSA-N 0 0 437.368 4.554 50 0 IJAARN COc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000004734320 132272977 /nfs/dbraw/zinc/27/29/77/132272977.db2.gz HUNXVTBVBNOPRW-UHFFFAOYSA-N 0 0 432.421 4.637 50 0 IJAARN CCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000006739595 132278426 /nfs/dbraw/zinc/27/84/26/132278426.db2.gz MDOBKSMGGNWIDG-UHFFFAOYSA-N 0 0 428.580 4.800 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2F)cc1F ZINC000008583218 132282567 /nfs/dbraw/zinc/28/25/67/132282567.db2.gz ZDZDIRCSEBVPQX-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 IJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c2cc(C)ccc2O1 ZINC000008588561 132283288 /nfs/dbraw/zinc/28/32/88/132283288.db2.gz IVKLISVHERPTSF-HSZRJFAPSA-N 0 0 449.595 4.553 50 0 IJAARN CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCCC[C@H]3C)cc21 ZINC000008596241 132285097 /nfs/dbraw/zinc/28/50/97/132285097.db2.gz RHBIJWPGBLIHOP-QGZVFWFLSA-N 0 0 442.556 4.681 50 0 IJAARN Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(N2CCC(C)CC2)cc1 ZINC000008671668 132289923 /nfs/dbraw/zinc/28/99/23/132289923.db2.gz FCPILGUUNQWDPT-UHFFFAOYSA-N 0 0 433.943 4.770 50 0 IJAARN CC(C)Cn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008685119 132290219 /nfs/dbraw/zinc/29/02/19/132290219.db2.gz NNRMNROCGLUOBU-GOSISDBHSA-N 0 0 438.597 4.648 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCC1)C1CCC1 ZINC000008825447 132295297 /nfs/dbraw/zinc/29/52/97/132295297.db2.gz PEEKZBYLNKBLLV-UHFFFAOYSA-N 0 0 447.988 4.870 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009119059 132304601 /nfs/dbraw/zinc/30/46/01/132304601.db2.gz XLDAXYSKEQBPRS-UHFFFAOYSA-N 0 0 442.556 4.682 50 0 IJAARN CCCN(C(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)c1ccccc1C ZINC000009211175 132308964 /nfs/dbraw/zinc/30/89/64/132308964.db2.gz HNFKMJYJDNVOIN-FQEVSTJZSA-N 0 0 446.599 4.521 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCC1 ZINC000009228370 132309995 /nfs/dbraw/zinc/30/99/95/132309995.db2.gz WSLLQLVSYQDJCD-UHFFFAOYSA-N 0 0 435.499 4.663 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)cc1 ZINC000009250394 132310813 /nfs/dbraw/zinc/31/08/13/132310813.db2.gz ZLJFORNPODCABT-UHFFFAOYSA-N 0 0 426.925 4.717 50 0 IJAARN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000009409376 132315976 /nfs/dbraw/zinc/31/59/76/132315976.db2.gz KGLSPROSGPQZLD-QHCPKHFHSA-N 0 0 426.969 4.812 50 0 IJAARN CCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000009435447 132317553 /nfs/dbraw/zinc/31/75/53/132317553.db2.gz BGHPAZHBRPQECS-UHFFFAOYSA-N 0 0 442.556 4.538 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1)NCc1ccco1 ZINC000009469529 132318784 /nfs/dbraw/zinc/31/87/84/132318784.db2.gz UQBJRMYPFBYAOS-UHFFFAOYSA-N 0 0 449.576 4.931 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000009594643 132322631 /nfs/dbraw/zinc/32/26/31/132322631.db2.gz CPYKMTIQNOEBAF-HDICACEKSA-N 0 0 436.581 4.591 50 0 IJAARN C[C@H](C(=O)NCc1cccs1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692863 132326114 /nfs/dbraw/zinc/32/61/14/132326114.db2.gz IIKMUHNGWQRAAU-BTYIYWSLSA-N 0 0 440.565 4.847 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000009713829 132327120 /nfs/dbraw/zinc/32/71/20/132327120.db2.gz KWTXAUMVSYDKCW-QGZVFWFLSA-N 0 0 448.596 4.785 50 0 IJAARN Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1Cl ZINC000009762067 132328425 /nfs/dbraw/zinc/32/84/25/132328425.db2.gz JQBFFRRTMQISHH-UHFFFAOYSA-N 0 0 431.327 4.811 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC ZINC000010013075 132334011 /nfs/dbraw/zinc/33/40/11/132334011.db2.gz SDQONDHJBVWTDG-UHFFFAOYSA-N 0 0 444.510 4.780 50 0 IJAARN COC(=O)c1ccc(CN(C)CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 ZINC000012940143 132340938 /nfs/dbraw/zinc/34/09/38/132340938.db2.gz XSFCPWVPGDNCHD-HSZRJFAPSA-N 0 0 446.572 4.785 50 0 IJAARN O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013056391 132343525 /nfs/dbraw/zinc/34/35/25/132343525.db2.gz IJHMBDYVCPNHHV-UHFFFAOYSA-N 0 0 432.273 4.773 50 0 IJAARN COc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000013060767 132343846 /nfs/dbraw/zinc/34/38/46/132343846.db2.gz GHIPUPRMEPXQIB-UHFFFAOYSA-N 0 0 436.939 4.890 50 0 IJAARN O=C(Cc1coc2cc3c(cc12)CCC3)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013096188 132344358 /nfs/dbraw/zinc/34/43/58/132344358.db2.gz DYLCQBVBGCLKBZ-UHFFFAOYSA-N 0 0 428.454 4.832 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013097827 132344362 /nfs/dbraw/zinc/34/43/62/132344362.db2.gz YAQCHCQVLBXXKG-UHFFFAOYSA-N 0 0 436.865 4.517 50 0 IJAARN O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583802 132351076 /nfs/dbraw/zinc/35/10/76/132351076.db2.gz VUJDNHDLFPUEAX-UHFFFAOYSA-N 0 0 432.973 4.544 50 0 IJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)C=Cc2ccccn2)C3)c1 ZINC000012097293 518339790 /nfs/dbraw/zinc/33/97/90/518339790.db2.gz DEAMXUJZEKTMIQ-WFNSPDMASA-N 0 0 430.479 4.532 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2nc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000015868172 518381686 /nfs/dbraw/zinc/38/16/86/518381686.db2.gz FSVWRGXGGISCFO-UHFFFAOYSA-N 0 0 439.397 4.573 50 0 IJAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000012772638 518408693 /nfs/dbraw/zinc/40/86/93/518408693.db2.gz LKXIUAGTIVNBON-OAQYLSRUSA-N 0 0 431.460 4.559 50 0 IJAARN CC(=O)c1cccc(S(=O)(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000012522954 518463379 /nfs/dbraw/zinc/46/33/79/518463379.db2.gz KBNLLORUNZDJJJ-UHFFFAOYSA-N 0 0 437.395 4.863 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000012617152 518475017 /nfs/dbraw/zinc/47/50/17/518475017.db2.gz FMYIHTVQNOUMCW-UHFFFAOYSA-N 0 0 430.533 4.762 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCc2ccccc21 ZINC000012925693 518555947 /nfs/dbraw/zinc/55/59/47/518555947.db2.gz NHAVNXYDJBSUES-UHFFFAOYSA-N 0 0 425.550 4.530 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1occc1COc1ccccc1 ZINC000012935169 518556805 /nfs/dbraw/zinc/55/68/05/518556805.db2.gz UXAGSJFEOVGVJT-UHFFFAOYSA-N 0 0 435.476 4.883 50 0 IJAARN CC(C)(C)c1cc(CCC(=O)NCCc2cn3c(n2)CCCC3)cc(C(C)(C)C)c1O ZINC000012525440 518996024 /nfs/dbraw/zinc/99/60/24/518996024.db2.gz YIXRIUJWZJNDJW-UHFFFAOYSA-N 0 0 425.617 4.812 50 0 IJAARN CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)s1 ZINC000065475660 519107997 /nfs/dbraw/zinc/10/79/97/519107997.db2.gz GBKVBUJBSFHODO-AWEZNQCLSA-N 0 0 426.369 4.991 50 0 IJAARN CC(C)(C)n1ncc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c1C(F)(F)F ZINC000065487639 519171729 /nfs/dbraw/zinc/17/17/29/519171729.db2.gz SDLADMXAAZRNDM-UHFFFAOYSA-N 0 0 443.416 4.670 50 0 IJAARN CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000021991690 519239035 /nfs/dbraw/zinc/23/90/35/519239035.db2.gz HNQNCMNLDYVOGH-KCWPFWIISA-N 0 0 443.547 4.510 50 0 IJAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O ZINC000021937053 519420008 /nfs/dbraw/zinc/42/00/08/519420008.db2.gz PALHFVRERVIRDK-AUUYWEPGSA-N 0 0 438.528 4.591 50 0 IJAARN CC(C)Cc1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CCCCC3 ZINC000035893279 519461781 /nfs/dbraw/zinc/46/17/81/519461781.db2.gz DVBXRFSPKHEFJF-UHFFFAOYSA-N 0 0 428.646 4.853 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000012741371 519481629 /nfs/dbraw/zinc/48/16/29/519481629.db2.gz FKZOLXLCGKCQPD-DEOSSOPVSA-N 0 0 431.561 4.741 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000012917970 519483286 /nfs/dbraw/zinc/48/32/86/519483286.db2.gz PKCGIMVSHAUXJU-FQEVSTJZSA-N 0 0 425.460 4.991 50 0 IJAARN CC(C)CC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)CC(C)C ZINC000036030061 519574864 /nfs/dbraw/zinc/57/48/64/519574864.db2.gz FTZOCFSNFRCNAL-UHFFFAOYSA-N 0 0 447.645 4.544 50 0 IJAARN CC(C)CCNC(=O)[C@@H]1c2c3ccccc3n(C)c2SCC(=O)N1Cc1cccs1 ZINC000021911704 519659804 /nfs/dbraw/zinc/65/98/04/519659804.db2.gz ZCEQBQRWQQBLFL-NRFANRHFSA-N 0 0 441.622 4.578 50 0 IJAARN CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000021650356 519701955 /nfs/dbraw/zinc/70/19/55/519701955.db2.gz XEWZZVMGUKBZHN-UHFFFAOYSA-N 0 0 445.567 4.611 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(Cl)cc4)ccc3[nH]2)cc1 ZINC000033037444 519715719 /nfs/dbraw/zinc/71/57/19/519715719.db2.gz WJFVIYLIOKLDKP-UHFFFAOYSA-N 0 0 446.938 4.890 50 0 IJAARN CC(C)CN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012878616 519719909 /nfs/dbraw/zinc/71/99/09/519719909.db2.gz CIFGKXNDGZFFBX-CLOONOSVSA-N 0 0 435.955 4.509 50 0 biogenic IJAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)sc2c1 ZINC000022501613 519735068 /nfs/dbraw/zinc/73/50/68/519735068.db2.gz UUGYTFSGBXCMOB-UHFFFAOYSA-N 0 0 436.493 4.691 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000245247221 519757157 /nfs/dbraw/zinc/75/71/57/519757157.db2.gz SDHHPVPFUVQWKY-MVBNZPLMSA-N 0 0 428.569 4.938 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023011196 519798435 /nfs/dbraw/zinc/79/84/35/519798435.db2.gz JOBPTHFHVBTGAN-JOCHJYFZSA-N 0 0 448.498 4.863 50 0 IJAARN CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)cc1 ZINC000020642555 519837003 /nfs/dbraw/zinc/83/70/03/519837003.db2.gz QXOVAKASCIPNBT-OAQYLSRUSA-N 0 0 434.565 4.796 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000021940200 519838420 /nfs/dbraw/zinc/83/84/20/519838420.db2.gz XBYFBXNEFMGVGY-GOSISDBHSA-N 0 0 429.517 4.567 50 0 IJAARN CCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892596 519869270 /nfs/dbraw/zinc/86/92/70/519869270.db2.gz HQHVEQASXJEUMK-UHFFFAOYSA-N 0 0 448.636 5.000 50 0 IJAARN CCCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796506 519869363 /nfs/dbraw/zinc/86/93/63/519869363.db2.gz IZNUOILQIFREIH-UHFFFAOYSA-N 0 0 443.526 4.675 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708168 519881300 /nfs/dbraw/zinc/88/13/00/519881300.db2.gz OCCAZVLLJDWBTD-MHZLTWQESA-N 0 0 442.559 4.688 50 0 IJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C[C@H]1CCCO1)C(=O)c1ccccc1 ZINC000035972257 519882049 /nfs/dbraw/zinc/88/20/49/519882049.db2.gz OSIXRYSSXWUVFP-HSZRJFAPSA-N 0 0 446.595 4.883 50 0 IJAARN CCOCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1 ZINC000033035590 519895276 /nfs/dbraw/zinc/89/52/76/519895276.db2.gz YWQYRNUUMKMHEX-QHCPKHFHSA-N 0 0 437.584 4.817 50 0 IJAARN CCCNC(=O)c1ccccc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000021974111 519905295 /nfs/dbraw/zinc/90/52/95/519905295.db2.gz MLGRHSAWGINRHW-UHFFFAOYSA-N 0 0 436.512 4.523 50 0 IJAARN CCN(C(=O)COC(=O)CSc1cc(C)c(Br)cc1C)C1CCCCC1 ZINC000012573746 519916379 /nfs/dbraw/zinc/91/63/79/519916379.db2.gz UDSBFGQGSQEERK-UHFFFAOYSA-N 0 0 442.419 4.882 50 0 IJAARN CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)C1CCCCC1 ZINC000022534055 520101485 /nfs/dbraw/zinc/10/14/85/520101485.db2.gz VIRMWIAUSUBQSM-GOSISDBHSA-N 0 0 426.582 4.621 50 0 IJAARN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012226419 520314943 /nfs/dbraw/zinc/31/49/43/520314943.db2.gz SKZFXAIBPVKWPR-UHFFFAOYSA-N 0 0 432.933 4.772 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(=O)c2cc(C)ccc2o1 ZINC000012484233 520352416 /nfs/dbraw/zinc/35/24/16/520352416.db2.gz QCNXLIOUKXGLPE-UHFFFAOYSA-N 0 0 433.291 4.509 50 0 IJAARN CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000022276500 520431550 /nfs/dbraw/zinc/43/15/50/520431550.db2.gz YTMKZZRPWDZLPP-UHFFFAOYSA-N 0 0 442.537 4.532 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3c(s2)CCCC3)[C@@H]1c1ccc(OC)cc1 ZINC000012691051 520557954 /nfs/dbraw/zinc/55/79/54/520557954.db2.gz JYPQBPJZLVTEED-GCJKJVERSA-N 0 0 441.597 4.749 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc3ccccc3c2)n1 ZINC000041156158 520570374 /nfs/dbraw/zinc/57/03/74/520570374.db2.gz MFFRCBDPOCZSRF-UHFFFAOYSA-N 0 0 428.945 4.544 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)Nc3nc(-c4ccccc4)c(-c4ncc[nH]4)s3)c2O1 ZINC000012507302 520581352 /nfs/dbraw/zinc/58/13/52/520581352.db2.gz JYWODVHCCHXFOP-UHFFFAOYSA-N 0 0 446.532 4.931 50 0 IJAARN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042211 520661207 /nfs/dbraw/zinc/66/12/07/520661207.db2.gz QRHWPBQKJHGUEX-LEWJYISDSA-N 0 0 432.486 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ZINC000020321458 520928608 /nfs/dbraw/zinc/92/86/08/520928608.db2.gz AMOFNXPKLPPYKN-UHFFFAOYSA-N 0 0 431.945 4.762 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCc2ccccc2F)CC1 ZINC000020645910 520934076 /nfs/dbraw/zinc/93/40/76/520934076.db2.gz IZKTYEPGOCWDLE-UHFFFAOYSA-N 0 0 447.557 4.683 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1OCC ZINC000024550083 520954901 /nfs/dbraw/zinc/95/49/01/520954901.db2.gz LAIQZXXTPICZSW-UHFFFAOYSA-N 0 0 427.932 4.604 50 0 IJAARN CCCCSCCCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020993449 520955933 /nfs/dbraw/zinc/95/59/33/520955933.db2.gz LKQKFDNPUYAPSC-UHFFFAOYSA-N 0 0 429.611 4.623 50 0 IJAARN CCOc1ccc(CN2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1OCC ZINC000021038457 520980193 /nfs/dbraw/zinc/98/01/93/520980193.db2.gz JRIMOCXXDKYWSN-UHFFFAOYSA-N 0 0 434.540 4.585 50 0 IJAARN CCCC[C@@H](CC)C(=O)N(CCOC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767705 521014171 /nfs/dbraw/zinc/01/41/71/521014171.db2.gz ONZGJUPLQXGFON-OAQYLSRUSA-N 0 0 446.563 4.639 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1OCC ZINC000023821170 521059064 /nfs/dbraw/zinc/05/90/64/521059064.db2.gz YLHCXHBRSRVNBT-SFHVURJKSA-N 0 0 449.551 4.535 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C)c(C)c4)C3)n2)c1 ZINC000035527731 521221149 /nfs/dbraw/zinc/22/11/49/521221149.db2.gz KXKFIXINTGUCBH-FQEVSTJZSA-N 0 0 432.524 4.722 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccc(C)cc3)N2C1=O ZINC000021936140 521253286 /nfs/dbraw/zinc/25/32/86/521253286.db2.gz PIARNOIHFZJCTC-WOJBJXKFSA-N 0 0 434.565 4.904 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3C)N2C1=O ZINC000021936351 521253406 /nfs/dbraw/zinc/25/34/06/521253406.db2.gz XZXHEMLIBBOKKS-OXJNMPFZSA-N 0 0 434.565 4.822 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936391 521254464 /nfs/dbraw/zinc/25/44/64/521254464.db2.gz MZBCUEHGBGVCPE-FZKQIMNGSA-N 0 0 440.956 4.859 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 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521516687 /nfs/dbraw/zinc/51/66/87/521516687.db2.gz DVPJYBUMHQKMQK-UHFFFAOYSA-N 0 0 443.459 4.745 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1 ZINC000035671808 521517516 /nfs/dbraw/zinc/51/75/16/521517516.db2.gz FKTPRMAMYGOXMU-UHFFFAOYSA-N 0 0 447.447 4.719 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)c1 ZINC000021530434 521538950 /nfs/dbraw/zinc/53/89/50/521538950.db2.gz DSVSOVBHBSQPJW-HXUWFJFHSA-N 0 0 434.517 4.651 50 0 IJAARN CCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CC[C@@H](C)C3 ZINC000035865963 521544698 /nfs/dbraw/zinc/54/46/98/521544698.db2.gz IIBQLIKSHVEGII-QGZVFWFLSA-N 0 0 434.609 4.731 50 0 IJAARN CCCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000012795244 521552746 /nfs/dbraw/zinc/55/27/46/521552746.db2.gz AIYUBRCSJSXXSX-UHFFFAOYSA-N 0 0 432.480 4.973 50 0 IJAARN CCOC(=O)c1cnc2c(sc(C(F)(F)F)c2-c2ccccc2)c1N1CCOCC1 ZINC000018117683 521574399 /nfs/dbraw/zinc/57/43/99/521574399.db2.gz YFDYGHDPEBNOAA-UHFFFAOYSA-N 0 0 436.455 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/nfs/dbraw/zinc/73/94/68/521739468.db2.gz VEYAMNPGJJWZHW-UHFFFAOYSA-N 0 0 442.579 4.998 50 0 IJAARN COC(=O)c1c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(C)cc2)C2CCCCC2)c(C)n1C ZINC000036025160 521751735 /nfs/dbraw/zinc/75/17/35/521751735.db2.gz UGEALLKDGVFJLU-IBGZPJMESA-N 0 0 438.568 4.783 50 0 IJAARN COC(=O)c1c(Cn2cnc3sccc3c2=O)nc2ccccc2c1-c1ccccc1 ZINC000012812877 521760353 /nfs/dbraw/zinc/76/03/53/521760353.db2.gz IHPRMHQIRWWTDJ-UHFFFAOYSA-N 0 0 427.485 4.508 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563392 521868668 /nfs/dbraw/zinc/86/86/68/521868668.db2.gz ZORRLNYIYKQSTO-FQEVSTJZSA-N 0 0 449.942 4.751 50 0 IJAARN COc1cc(-c2nnc(SCc3cccc(Br)c3)o2)cc(OC)c1OC ZINC000012773174 521909631 /nfs/dbraw/zinc/90/96/31/521909631.db2.gz BALMZIWOIFMJGZ-UHFFFAOYSA-N 0 0 437.315 4.817 50 0 IJAARN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccccc1 ZINC000033523932 521946228 /nfs/dbraw/zinc/94/62/28/521946228.db2.gz YQSIEVACZHRJKQ-QNGOZBTKSA-N 0 0 430.529 4.879 50 0 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ZINC000020454693 523202954 /nfs/dbraw/zinc/20/29/54/523202954.db2.gz XQMDKBDGJPIXMV-INIZCTEOSA-N 0 0 426.538 4.824 50 0 IJAARN COc1ccc(-c2nc3sc(CCNC(=O)c4cccc5ccccc54)c(C)n3n2)cc1 ZINC000015882106 523233811 /nfs/dbraw/zinc/23/38/11/523233811.db2.gz TYZARDCXIYXMFN-UHFFFAOYSA-N 0 0 442.544 4.901 50 0 IJAARN COc1ccc(-c2ncc(C(=O)N3CCC(C)CC3)c(N(C)Cc3ccccc3)n2)cc1 ZINC000035988124 523237779 /nfs/dbraw/zinc/23/77/79/523237779.db2.gz AZCIDTGYAKLMJR-UHFFFAOYSA-N 0 0 430.552 4.661 50 0 IJAARN COc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc32)cc1 ZINC000020996543 523244121 /nfs/dbraw/zinc/24/41/21/523244121.db2.gz ZTJNHLDEWCXHAQ-UHFFFAOYSA-N 0 0 432.499 4.848 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000009662093 523259992 /nfs/dbraw/zinc/25/99/92/523259992.db2.gz FMEZVMGZZMUUTN-OXQOHEQNSA-N 0 0 440.569 4.706 50 0 IJAARN COc1ccc(-c2nnc(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2N)cc1 ZINC000021657906 523265049 /nfs/dbraw/zinc/26/50/49/523265049.db2.gz IUCBQVQALFYGOX-UHFFFAOYSA-N 0 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ZINC000035845397 523284918 /nfs/dbraw/zinc/28/49/18/523284918.db2.gz YJXSVHAADSFQRT-UHFFFAOYSA-N 0 0 435.524 4.515 50 0 IJAARN COc1ccc(-c2noc(CN3CCCC[C@H]3c3cccc(F)c3)n2)c(OC)c1OC ZINC000012577297 523288422 /nfs/dbraw/zinc/28/84/22/523288422.db2.gz ZNYOKAHMKJGTGE-SFHVURJKSA-N 0 0 427.476 4.629 50 0 IJAARN CO[C@@H](C(=O)N1CCC[C@H](c2nc(SCc3ccccn3)ncc2C)C1)c1ccccc1 ZINC000012098948 523315893 /nfs/dbraw/zinc/31/58/93/523315893.db2.gz LXIGWATWWXQYGU-NZQKXSOJSA-N 0 0 448.592 4.566 50 0 IJAARN COc1ccc(-n2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3c2=O)cc1 ZINC000020508871 523326652 /nfs/dbraw/zinc/32/66/52/523326652.db2.gz RLVUBWVZRBBXBU-LJQANCHMSA-N 0 0 426.516 4.750 50 0 IJAARN COc1ccc(-n2nc3nc(NC4CCCCC4)nc(-c4ccc(F)cc4)c3c2N)cc1 ZINC000035930007 523349928 /nfs/dbraw/zinc/34/99/28/523349928.db2.gz QOYGECKRGLMPSX-UHFFFAOYSA-N 0 0 432.503 4.957 50 0 IJAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C(C)C)cc2)c(C)n1 ZINC000020608121 523367961 /nfs/dbraw/zinc/36/79/61/523367961.db2.gz LNZGVMQPZOSSNO-UHFFFAOYSA-N 0 0 429.561 4.865 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nc(C)ncc3Cc3ccccc3)C2)cc1 ZINC000012164226 523385032 /nfs/dbraw/zinc/38/50/32/523385032.db2.gz NIJHZYFOZQOZSZ-MEWQITQSSA-N 0 0 427.548 4.804 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909218 523418631 /nfs/dbraw/zinc/41/86/31/523418631.db2.gz DYBFGVQNXBGPQH-XMMPIXPASA-N 0 0 444.531 4.576 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909202 523421715 /nfs/dbraw/zinc/42/17/15/523421715.db2.gz QOEGULQNCOVYCL-HXUWFJFHSA-N 0 0 436.533 4.709 50 0 IJAARN CN(Cc1cccs1)C(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1 ZINC000012245804 523444412 /nfs/dbraw/zinc/44/44/12/523444412.db2.gz YFVQPSVJZIPKRJ-UHFFFAOYSA-N 0 0 431.546 4.878 50 0 IJAARN COc1ccc(Br)cc1C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000009668099 523494668 /nfs/dbraw/zinc/49/46/68/523494668.db2.gz VYPRDYGHTVWKNN-UHFFFAOYSA-N 0 0 438.281 4.591 50 0 IJAARN COc1ccc(Br)cc1CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000014253468 523503534 /nfs/dbraw/zinc/50/35/34/523503534.db2.gz ISIKAUXIJSHVNG-MRXNPFEDSA-N 0 0 435.299 4.646 50 0 IJAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012862399 523506744 /nfs/dbraw/zinc/50/67/44/523506744.db2.gz SUYBFMPXAKKBAI-GOSISDBHSA-N 0 0 438.368 4.587 50 0 IJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(Cl)cc1Cl ZINC000012654551 523544269 /nfs/dbraw/zinc/54/42/69/523544269.db2.gz DURBEURJVOFLQE-UHFFFAOYSA-N 0 0 426.687 4.734 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909481 523603797 /nfs/dbraw/zinc/60/37/97/523603797.db2.gz RPZXIKAIBYRDIL-NRFANRHFSA-N 0 0 428.479 4.793 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884453 523606604 /nfs/dbraw/zinc/60/66/04/523606604.db2.gz HJCVOFOWDSVCEY-QFIPXVFZSA-N 0 0 436.458 4.917 50 0 IJAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(OC)cc1OC ZINC000034901299 523613223 /nfs/dbraw/zinc/61/32/23/523613223.db2.gz KHKCIOWOQIKAEF-UHFFFAOYSA-N 0 0 433.430 4.536 50 0 IJAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1=O ZINC000012567487 523628781 /nfs/dbraw/zinc/62/87/81/523628781.db2.gz ZZZIIJIFNMFRQI-RUZDIDTESA-N 0 0 436.483 4.721 50 0 IJAARN CCn1nc(C)c(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C)c2)c1C ZINC000021362204 523644445 /nfs/dbraw/zinc/64/44/45/523644445.db2.gz LYZWPQSSSVDRLY-UHFFFAOYSA-N 0 0 443.551 4.800 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000013113257 523652071 /nfs/dbraw/zinc/65/20/71/523652071.db2.gz MQYPKSVNEZXNRF-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045723 523717644 /nfs/dbraw/zinc/71/76/44/523717644.db2.gz JFRXLBHXWRBDBF-RUZDIDTESA-N 0 0 434.605 4.891 50 0 IJAARN CCc1c(C)sc2nc(SCc3nc4ccccc4o3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000032570721 523721451 /nfs/dbraw/zinc/72/14/51/523721451.db2.gz AFDRJIREJLHQAE-CQSZACIVSA-N 0 0 441.578 4.941 50 0 IJAARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000020614256 523726812 /nfs/dbraw/zinc/72/68/12/523726812.db2.gz WQZQBJGRONLSOA-UHFFFAOYSA-N 0 0 425.598 4.535 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)C1CCC1 ZINC000035972711 523738516 /nfs/dbraw/zinc/73/85/16/523738516.db2.gz FCMOJXIAZUULDM-UHFFFAOYSA-N 0 0 449.551 4.757 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563743 523802592 /nfs/dbraw/zinc/80/25/92/523802592.db2.gz DJPBPCBHTUHFDF-JOCHJYFZSA-N 0 0 443.551 4.714 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(Cl)ccc2O)C12CCCCC2 ZINC000020718790 523808897 /nfs/dbraw/zinc/80/88/97/523808897.db2.gz BDWDEJFMDDSXFJ-NRFANRHFSA-N 0 0 442.943 4.573 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)C12CCCCC2 ZINC000020723687 523810994 /nfs/dbraw/zinc/81/09/94/523810994.db2.gz GRDJBMBFCDMAFG-OAQYLSRUSA-N 0 0 426.944 4.867 50 0 IJAARN CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)C1CCCCC1 ZINC000012882000 523842312 /nfs/dbraw/zinc/84/23/12/523842312.db2.gz UTFHUWZBZIRWQZ-IBGZPJMESA-N 0 0 449.020 4.661 50 0 IJAARN CCc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)on1 ZINC000021719369 523843660 /nfs/dbraw/zinc/84/36/60/523843660.db2.gz BKLZKDRQZYUYNR-OAHLLOKOSA-N 0 0 445.401 4.536 50 0 IJAARN CCc1cc2c(cc1S(=O)(=O)NCCc1sccc1C)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990398 523844767 /nfs/dbraw/zinc/84/47/67/523844767.db2.gz BPCUCKRMFAXJGG-UHFFFAOYSA-N 0 0 444.622 4.776 50 0 IJAARN CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C3=O)cc1 ZINC000021852949 523855700 /nfs/dbraw/zinc/85/57/00/523855700.db2.gz WPEGCRMSEGIYDW-MHZLTWQESA-N 0 0 448.611 4.719 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)c3ccccc3F)C2)cc1 ZINC000035944405 523881465 /nfs/dbraw/zinc/88/14/65/523881465.db2.gz ZHVCYPNCXJBDQU-NRFANRHFSA-N 0 0 436.458 4.809 50 0 IJAARN CCc1ccc(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000021657664 523962914 /nfs/dbraw/zinc/96/29/14/523962914.db2.gz VXYCIJSWHHHJJU-UHFFFAOYSA-N 0 0 428.460 4.863 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)cc1 ZINC000020575286 523989000 /nfs/dbraw/zinc/98/90/00/523989000.db2.gz XRJCSLSFYKMAQI-GOSISDBHSA-N 0 0 445.498 4.841 50 0 IJAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(CC)cc2)cc1 ZINC000023125762 523993131 /nfs/dbraw/zinc/99/31/31/523993131.db2.gz HFAYXCATFUHPCC-UHFFFAOYSA-N 0 0 428.579 4.950 50 0 IJAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3cccc4nsnc43)s2)cc1 ZINC000019076984 523996930 /nfs/dbraw/zinc/99/69/30/523996930.db2.gz PGNQYSKCKWPZOG-UHFFFAOYSA-N 0 0 428.568 4.580 50 0 IJAARN CCc1ccc(OCC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033266265 524004601 /nfs/dbraw/zinc/00/46/01/524004601.db2.gz PASSWIZIJCUMJK-HSZRJFAPSA-N 0 0 431.467 4.723 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)NCc4ccccc4)cc3)C2=O)cc1 ZINC000035916040 524026099 /nfs/dbraw/zinc/02/60/99/524026099.db2.gz FLTNIARVNZUDKD-UHFFFAOYSA-N 0 0 444.535 4.849 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4OC)cc3)C2=O)cc1 ZINC000037545329 524026459 /nfs/dbraw/zinc/02/64/59/524026459.db2.gz PHZUZAZVFRYUQU-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN COc1ccc(CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1F ZINC000012782791 524031076 /nfs/dbraw/zinc/03/10/76/524031076.db2.gz IZKHMTVHXOKSGG-UHFFFAOYSA-N 0 0 445.947 4.569 50 0 IJAARN COc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2nc3ccccc3n2C)cc1O ZINC000012431685 524038252 /nfs/dbraw/zinc/03/82/52/524038252.db2.gz DMHMYVVYHGRLIM-SANMLTNESA-N 0 0 438.531 4.917 50 0 IJAARN COc1ccc(CNC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)cc1 ZINC000020385910 524061943 /nfs/dbraw/zinc/06/19/43/524061943.db2.gz TWUUFEHJOBOPQO-UHFFFAOYSA-N 0 0 447.560 4.964 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)cc1OC ZINC000021362341 524065131 /nfs/dbraw/zinc/06/51/31/524065131.db2.gz PUCFPCRZHKJRSZ-UHFFFAOYSA-N 0 0 443.503 4.676 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(C)cc2)cc1 ZINC000021361333 524065322 /nfs/dbraw/zinc/06/53/22/524065322.db2.gz DPETVOBANWASPO-UHFFFAOYSA-N 0 0 427.504 4.976 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)cc1 ZINC000032983939 524066944 /nfs/dbraw/zinc/06/69/44/524066944.db2.gz PUMFGHOREKFPNE-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c(OC)c1 ZINC000035527314 524067490 /nfs/dbraw/zinc/06/74/90/524067490.db2.gz ZSHRWELQGSJATA-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(F)cc4C)n3)nc2c1 ZINC000021721448 524099675 /nfs/dbraw/zinc/09/96/75/524099675.db2.gz IJNWBVLDAJWSLX-UHFFFAOYSA-N 0 0 426.473 4.830 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4cnn(Cc5ccc(F)cc5)c4c3)CC2)c1 ZINC000035560041 524125893 /nfs/dbraw/zinc/12/58/93/524125893.db2.gz FRMFZGVNRUEUMO-UHFFFAOYSA-N 0 0 442.538 4.803 50 0 IJAARN COc1cccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034927999 524134786 /nfs/dbraw/zinc/13/47/86/524134786.db2.gz GMCHREJIGCMMKM-DNQXCXABSA-N 0 0 430.479 4.916 50 0 IJAARN Cc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C(C)C)cc4)C3)n2)c1 ZINC000021940145 524136150 /nfs/dbraw/zinc/13/61/50/524136150.db2.gz GNLOHXIGXVHQGZ-FQEVSTJZSA-N 0 0 425.554 4.737 50 0 IJAARN Cc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)c1 ZINC000036049525 524139763 /nfs/dbraw/zinc/13/97/63/524139763.db2.gz FRDXFAIQJDGCQW-UHFFFAOYSA-N 0 0 430.552 4.823 50 0 IJAARN COc1ccc(C[C@@H](N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694978 524140340 /nfs/dbraw/zinc/14/03/40/524140340.db2.gz OIVBKIFJXRMZRF-BXKMTCNYSA-N 0 0 429.520 4.575 50 0 IJAARN Cc1cccc(-n2nnnc2SCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1C ZINC000015512453 524149258 /nfs/dbraw/zinc/14/92/58/524149258.db2.gz UMRYLOJQPVSDAO-UHFFFAOYSA-N 0 0 443.576 4.619 50 0 IJAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)c1 ZINC000012848531 524183783 /nfs/dbraw/zinc/18/37/83/524183783.db2.gz ZVQDJIRONJMZRG-UXHICEINSA-N 0 0 444.457 4.824 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)N2CCCc3ccccc32)n[nH]1 ZINC000012799716 524190943 /nfs/dbraw/zinc/19/09/43/524190943.db2.gz VPXVANSGROCJKH-CYBMUJFWSA-N 0 0 428.945 4.594 50 0 IJAARN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)c1 ZINC000036062703 524204480 /nfs/dbraw/zinc/20/44/80/524204480.db2.gz DRGHUXISHWSAHR-OXQOHEQNSA-N 0 0 431.374 4.698 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000012434486 524221884 /nfs/dbraw/zinc/22/18/84/524221884.db2.gz HZURNUXRQXAIIE-QGZVFWFLSA-N 0 0 443.975 4.686 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012876474 524223767 /nfs/dbraw/zinc/22/37/67/524223767.db2.gz HKAPUZHAHFDHSN-OAHLLOKOSA-N 0 0 431.964 4.544 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@H](C(=O)c5ccccn5)C4)n3)CCCC2)cc1 ZINC000012386853 524229020 /nfs/dbraw/zinc/22/90/20/524229020.db2.gz GSEFFZVRULHOEJ-FQEVSTJZSA-N 0 0 430.552 4.728 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC(C)(C(=O)NCc2ccc(C)cc2)CC1 ZINC000035530352 524232091 /nfs/dbraw/zinc/23/20/91/524232091.db2.gz QTPXHJJALYHWLP-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CCC[C@H]3c3ccco3)c2n1 ZINC000021525415 524267968 /nfs/dbraw/zinc/26/79/68/524267968.db2.gz LJYLOTWCXFLBSS-KRWDZBQOSA-N 0 0 438.434 4.913 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000012811711 524278723 /nfs/dbraw/zinc/27/87/23/524278723.db2.gz WYNHOMLOCDRVOW-UHFFFAOYSA-N 0 0 446.334 4.953 50 0 IJAARN COc1ccccc1-c1noc(-c2cnn3c2nc(C)c(Cc2ccccc2C)c3C)n1 ZINC000021657691 524293572 /nfs/dbraw/zinc/29/35/72/524293572.db2.gz AAEXCJYSRVOBPQ-UHFFFAOYSA-N 0 0 425.492 4.971 50 0 IJAARN C[C@H](CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021810584 524312416 /nfs/dbraw/zinc/31/24/16/524312416.db2.gz CTYWEELMQMPOFA-WXTAPIANSA-N 0 0 433.552 4.701 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(Cc3ccccc3)CC1)c2-n1cccc1 ZINC000020465904 524348099 /nfs/dbraw/zinc/34/80/99/524348099.db2.gz ATALERPDRBEVFR-UHFFFAOYSA-N 0 0 430.577 4.662 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2F)C(=O)C2CCCC2)C1 ZINC000035835591 524373363 /nfs/dbraw/zinc/37/33/63/524373363.db2.gz VQBYSLYBNAUHGO-IBGZPJMESA-N 0 0 428.479 4.685 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C(=O)CC(C)(C)C)C1 ZINC000035835548 524374203 /nfs/dbraw/zinc/37/42/03/524374203.db2.gz QNOGNZWOIJHDFG-GOSISDBHSA-N 0 0 430.495 4.931 50 0 IJAARN Cc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021781941 524384552 /nfs/dbraw/zinc/38/45/52/524384552.db2.gz HBOGUCRYNCEHTN-MHZLTWQESA-N 0 0 445.563 4.920 50 0 IJAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902749 524398869 /nfs/dbraw/zinc/39/88/69/524398869.db2.gz CCXQSRUNMUIOEV-AREMUKBSSA-N 0 0 431.536 4.518 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@H]2c2cccnc2)cc1 ZINC000035225356 524400621 /nfs/dbraw/zinc/40/06/21/524400621.db2.gz JQCWYXMBRPSKDQ-JWQCQUIFSA-N 0 0 443.547 4.738 50 0 IJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000021106290 524400894 /nfs/dbraw/zinc/40/08/94/524400894.db2.gz NZFXVLPTVWGPDZ-NRFANRHFSA-N 0 0 425.872 4.532 50 0 IJAARN Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)NCc3cccnc3)cs2)s1 ZINC000035819431 524406144 /nfs/dbraw/zinc/40/61/44/524406144.db2.gz UVTJIXGWKSBLTF-UHFFFAOYSA-N 0 0 428.627 4.886 50 0 IJAARN Cc1cccc(CNC(=O)[C@H]2CC[C@H](c3ccc(F)c(C)c3)N(C(=O)NC(C)C)C2)c1 ZINC000034716004 524425161 /nfs/dbraw/zinc/42/51/61/524425161.db2.gz OWHSCFJGMUQJMG-JTHBVZDNSA-N 0 0 425.548 4.630 50 0 IJAARN Cc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021863726 524432426 /nfs/dbraw/zinc/43/24/26/524432426.db2.gz AHYMISVAXQBNNK-SANMLTNESA-N 0 0 431.536 4.530 50 0 IJAARN COc1ccc(NC(=O)CCCOc2nc(C3CC3)cc(C(F)(F)F)n2)cc1Cl ZINC000020616358 524477861 /nfs/dbraw/zinc/47/78/61/524477861.db2.gz WDPKHVVCIIVHPW-UHFFFAOYSA-N 0 0 429.826 4.833 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(SC)cc3)C2)c(C)c1 ZINC000012456452 524484512 /nfs/dbraw/zinc/48/45/12/524484512.db2.gz SFPLQXHMNGKLNB-GOSISDBHSA-N 0 0 426.582 4.997 50 0 IJAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)CCc3cccs3)cc2)n1 ZINC000012303320 524489211 /nfs/dbraw/zinc/48/92/11/524489211.db2.gz NYWDLHBDANHAFS-JOCHJYFZSA-N 0 0 436.581 4.503 50 0 IJAARN Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)c4ccco4)[C@H](C)C3)cc3ccsc32)c1 ZINC000034903030 524490677 /nfs/dbraw/zinc/49/06/77/524490677.db2.gz ZYHLASBKMVRXSJ-GOSISDBHSA-N 0 0 447.560 4.639 50 0 IJAARN Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc1 ZINC000015680830 524513819 /nfs/dbraw/zinc/51/38/19/524513819.db2.gz CGWLBWDYNKIEAX-UHFFFAOYSA-N 0 0 446.572 4.548 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000001150882 524523512 /nfs/dbraw/zinc/52/35/12/524523512.db2.gz VNZQGNXAAZPBCU-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398466 524529695 /nfs/dbraw/zinc/52/96/95/524529695.db2.gz RGKPEDVSPZJAJS-IBGZPJMESA-N 0 0 432.543 4.637 50 0 IJAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 ZINC000020615940 524530673 /nfs/dbraw/zinc/53/06/73/524530673.db2.gz PLJWRLZPKXLFML-CYBMUJFWSA-N 0 0 447.486 4.738 50 0 IJAARN COc1ccc(NC(=O)Cn2nc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc32)cc1 ZINC000035527709 524532669 /nfs/dbraw/zinc/53/26/69/524532669.db2.gz CJLOVJBQLJZPFG-UHFFFAOYSA-N 0 0 439.475 4.709 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000021811893 524536163 /nfs/dbraw/zinc/53/61/63/524536163.db2.gz YJLPDFADOPCENK-SANMLTNESA-N 0 0 446.551 4.628 50 0 IJAARN COc1ccccc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000009663880 524536177 /nfs/dbraw/zinc/53/61/77/524536177.db2.gz IRIBJFYBDARYDH-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccc4cnn(Cc5ccc(F)cc5)c4c3)CC2)c1C ZINC000035560038 524552532 /nfs/dbraw/zinc/55/25/32/524552532.db2.gz FIHBBBQKHDODAV-UHFFFAOYSA-N 0 0 442.538 4.803 50 0 IJAARN COc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c(OC)c1 ZINC000021037417 524570882 /nfs/dbraw/zinc/57/08/82/524570882.db2.gz SYARXFNJHWTEDF-OAQYLSRUSA-N 0 0 430.464 4.665 50 0 IJAARN Cc1cccc(NC(=O)CN(C)CCCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000012931871 524590921 /nfs/dbraw/zinc/59/09/21/524590921.db2.gz ZLPBGFZUGZCCNB-UHFFFAOYSA-N 0 0 446.473 4.875 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000034928007 524603799 /nfs/dbraw/zinc/60/37/99/524603799.db2.gz KVBCJGBZSGDJGG-JWQCQUIFSA-N 0 0 442.515 4.786 50 0 IJAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000035181021 524628362 /nfs/dbraw/zinc/62/83/62/524628362.db2.gz HGRCMNTUBZICFT-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1C ZINC000012415573 524630248 /nfs/dbraw/zinc/63/02/48/524630248.db2.gz AECMBERHXHLJIM-UHFFFAOYSA-N 0 0 437.887 4.513 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(SCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)c1 ZINC000021801052 524642879 /nfs/dbraw/zinc/64/28/79/524642879.db2.gz LZHGBAKUEAMFGW-UHFFFAOYSA-N 0 0 448.552 4.717 50 0 IJAARN COc1ccccc1Nc1nc(N)nc(CSCc2csc(-c3ccccc3)n2)n1 ZINC000012545791 524650627 /nfs/dbraw/zinc/65/06/27/524650627.db2.gz OADMUKKUXIQHOU-UHFFFAOYSA-N 0 0 436.566 4.763 50 0 IJAARN Cc1ccc(C[C@@]2(CCC(=O)NCC(c3ccccc3)c3ccccc3)CCC(=O)N2)cc1 ZINC000014995331 524667951 /nfs/dbraw/zinc/66/79/51/524667951.db2.gz IJSDHYFVQQEUPD-GDLZYMKVSA-N 0 0 440.587 4.915 50 0 IJAARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc21 ZINC000015391721 524717988 /nfs/dbraw/zinc/71/79/88/524717988.db2.gz WCKZIBWVQXFWAA-UHFFFAOYSA-N 0 0 428.970 4.830 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CSc4nnc(-c5ccncc5)n4C4CC4)nc(N)c23)C1 ZINC000012533003 524725106 /nfs/dbraw/zinc/72/51/06/524725106.db2.gz PLMYPWPOLNSTLS-GFCCVEGCSA-N 0 0 449.609 4.679 50 0 IJAARN C[C@H](Cc1ccco1)NC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000021522916 524743971 /nfs/dbraw/zinc/74/39/71/524743971.db2.gz IBGUAPUQMZZHRG-LJQANCHMSA-N 0 0 434.565 4.627 50 0 IJAARN COc1ccccc1[C@H](CNC(=O)c1sc(-c2cccs2)nc1C)N1CCCC1 ZINC000022680219 524794257 /nfs/dbraw/zinc/79/42/57/524794257.db2.gz AXOGLHAFGBGIPW-KRWDZBQOSA-N 0 0 427.595 4.756 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)c1 ZINC000012887877 524854114 /nfs/dbraw/zinc/85/41/14/524854114.db2.gz IQBXLIRNEPJHBA-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 biogenic IJAARN Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)nc21 ZINC000020801096 524879281 /nfs/dbraw/zinc/87/92/81/524879281.db2.gz ILRIWPOKQMGZRV-UHFFFAOYSA-N 0 0 444.000 4.556 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc3ccccc3[nH]2)no1 ZINC000033270979 524891753 /nfs/dbraw/zinc/89/17/53/524891753.db2.gz JCPKJBNUKDEZET-UHFFFAOYSA-N 0 0 427.917 4.771 50 0 IJAARN Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2cccnc2)cc1 ZINC000012522894 524919554 /nfs/dbraw/zinc/91/95/54/524919554.db2.gz BTKAYGXLTRZQFM-RGVLZGJSSA-N 0 0 429.501 4.796 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(Cn2ccc4ccccc42)n3C)cc1 ZINC000031820256 524937025 /nfs/dbraw/zinc/93/70/25/524937025.db2.gz CHYDODQOHXLLGM-UHFFFAOYSA-N 0 0 440.503 4.602 50 0 IJAARN C[C@@H]1CN(CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)C[C@@H](C)O1 ZINC000020590795 524958559 /nfs/dbraw/zinc/95/85/59/524958559.db2.gz BIZAJYNCAAMPKZ-HZPDHXFCSA-N 0 0 427.932 4.591 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)cc1Cl ZINC000001113731 524966632 /nfs/dbraw/zinc/96/66/32/524966632.db2.gz AHIXNGCAHKWMND-UHFFFAOYSA-N 0 0 433.788 4.775 50 0 IJAARN Cc1ccc(N2O[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000238923844 524987232 /nfs/dbraw/zinc/98/72/32/524987232.db2.gz PMGVEKQRRLEQFH-VABKMULXSA-N 0 0 432.907 4.695 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000021721374 524987952 /nfs/dbraw/zinc/98/79/52/524987952.db2.gz KGFFDZDYSMSXBR-UHFFFAOYSA-N 0 0 428.514 4.990 50 0 IJAARN COc1ncccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000012583921 525034586 /nfs/dbraw/zinc/03/45/86/525034586.db2.gz NZIWTVAFDAYDBE-OAQYLSRUSA-N 0 0 429.520 4.557 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000012766333 525040762 /nfs/dbraw/zinc/04/07/62/525040762.db2.gz UETNSPZUAPDTAL-UHFFFAOYSA-N 0 0 446.334 4.987 50 0 IJAARN Cc1ccccc1C(=O)NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000012778161 525055030 /nfs/dbraw/zinc/05/50/30/525055030.db2.gz PIVURKBDMPBVIO-UHFFFAOYSA-N 0 0 434.348 4.718 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2)cc1 ZINC000013055954 525076752 /nfs/dbraw/zinc/07/67/52/525076752.db2.gz JRXZSTVJDIPJAM-UHFFFAOYSA-N 0 0 448.544 4.830 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)NC1CCCCC1 ZINC000012624118 525080920 /nfs/dbraw/zinc/08/09/20/525080920.db2.gz CNCXZILOXYIFLU-UHFFFAOYSA-N 0 0 437.949 4.604 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021864069 525134679 /nfs/dbraw/zinc/13/46/79/525134679.db2.gz XCVAIUBJRSLUOZ-AREMUKBSSA-N 0 0 431.536 4.530 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1 ZINC000022503765 525185438 /nfs/dbraw/zinc/18/54/38/525185438.db2.gz AZRVLZXDGJNLMH-UHFFFAOYSA-N 0 0 439.512 4.920 50 0 IJAARN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000012739111 525198284 /nfs/dbraw/zinc/19/82/84/525198284.db2.gz INSMUWBXVWCOJN-VQIMIIECSA-N 0 0 442.544 4.609 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000021858055 525200488 /nfs/dbraw/zinc/20/04/88/525200488.db2.gz WRLNEZYKIYPOMX-RUZDIDTESA-N 0 0 435.593 4.957 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000021160080 525211401 /nfs/dbraw/zinc/21/14/01/525211401.db2.gz DMMICXDYKFWTNK-UHFFFAOYSA-N 0 0 438.575 4.926 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc(F)cc1 ZINC000021865795 525212836 /nfs/dbraw/zinc/21/28/36/525212836.db2.gz AUBVJSFAMIUARY-AREMUKBSSA-N 0 0 443.478 4.623 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cc1 ZINC000012683804 525243994 /nfs/dbraw/zinc/24/39/94/525243994.db2.gz ZINQGZMYPGSHSF-QHCPKHFHSA-N 0 0 433.552 4.819 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@H]4C)c3N2)cc1 ZINC000036007353 525261037 /nfs/dbraw/zinc/26/10/37/525261037.db2.gz YBQJYUOUXMXGEI-XWRIVVANSA-N 0 0 438.478 4.846 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)s2)cc1 ZINC000033114054 525262027 /nfs/dbraw/zinc/26/20/27/525262027.db2.gz AUPKPRVROFLFTP-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(OCCO)cc2)c(F)c1 ZINC000020869444 525277700 /nfs/dbraw/zinc/27/77/00/525277700.db2.gz XPXPAQYHWZIMEM-HHHXNRCGSA-N 0 0 446.522 4.834 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c(Br)c1 ZINC000033086497 525296655 /nfs/dbraw/zinc/29/66/55/525296655.db2.gz GHXRIEJRTHYXSE-UHFFFAOYSA-N 0 0 448.342 4.794 50 0 IJAARN COc1ccc([C@H](C)N(C)C(=O)[C@H]2CCCN(c3nc(C)c4ccc(C)cc4n3)C2)cc1 ZINC000012203955 525300079 /nfs/dbraw/zinc/30/00/79/525300079.db2.gz FWRJSGPXVUNVRZ-FPOVZHCZSA-N 0 0 432.568 4.691 50 0 IJAARN COc1ccc([C@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561055 525344393 /nfs/dbraw/zinc/34/43/93/525344393.db2.gz KTGBGKBKBQRTRT-QFIPXVFZSA-N 0 0 436.552 4.630 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)cc3)C2)cc1 ZINC000033289123 525480681 /nfs/dbraw/zinc/48/06/81/525480681.db2.gz AROAHQLUUFLJIW-IFMALSPDSA-N 0 0 430.552 4.980 50 0 IJAARN Cc1ccc(S(=O)(=O)C2(C(=O)NCCSCc3cccs3)CCCC2)cc1C ZINC000012770341 525485681 /nfs/dbraw/zinc/48/56/81/525485681.db2.gz BTFZORCRAAMNGC-UHFFFAOYSA-N 0 0 437.652 4.501 50 0 IJAARN COc1ccc2c(CC(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)coc2c1 ZINC000016045734 525501664 /nfs/dbraw/zinc/50/16/64/525501664.db2.gz HXOAFRJRQNVSHZ-UHFFFAOYSA-N 0 0 444.443 4.604 50 0 IJAARN C[C@@H]1Cc2c(nc3ccccc3c2C(=O)NCc2nnc3ccccn32)/C(=C/c2ccco2)C1 ZINC000022232214 525515385 /nfs/dbraw/zinc/51/53/85/525515385.db2.gz ALOOARVTXWDLET-XMGGNUPJSA-N 0 0 449.514 4.923 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1cc(Cl)ccc1Cl ZINC000012675805 525527764 /nfs/dbraw/zinc/52/77/64/525527764.db2.gz KEHNUJQMHPETIR-UHFFFAOYSA-N 0 0 428.337 4.696 50 0 IJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(C)ccc3OC)CC1)c1cccn1-2 ZINC000035446968 525551195 /nfs/dbraw/zinc/55/11/95/525551195.db2.gz FNBUGWZSQPJUOK-UHFFFAOYSA-N 0 0 432.524 4.752 50 0 biogenic IJAARN Cc1ccc(S(=O)(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 ZINC000016310305 525588759 /nfs/dbraw/zinc/58/87/59/525588759.db2.gz VFWMAHDZWYWTIC-FQEVSTJZSA-N 0 0 439.924 4.766 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cc(C)cc(C)c4)c3)nc2c1 ZINC000021100200 525606323 /nfs/dbraw/zinc/60/63/23/525606323.db2.gz IEEDYBIFXZIUSG-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2F)C3=O)o1 ZINC000021810797 525618133 /nfs/dbraw/zinc/61/81/33/525618133.db2.gz PPBVRQDODQKNSA-VWLOTQADSA-N 0 0 437.515 4.545 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCc2ccccc2)C3=O)o1 ZINC000021526796 525618448 /nfs/dbraw/zinc/61/84/48/525618448.db2.gz FBXKZBNRWWLGMO-HHHXNRCGSA-N 0 0 447.579 4.839 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3ccccc3Br)C2)s1 ZINC000033299594 525619767 /nfs/dbraw/zinc/61/97/67/525619767.db2.gz VRCCGBUOWVYKOY-INIZCTEOSA-N 0 0 444.398 4.900 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(C)cc1)C3=O ZINC000020902947 525642809 /nfs/dbraw/zinc/64/28/09/525642809.db2.gz DSOLKPLRBYVPLN-MHZLTWQESA-N 0 0 445.563 4.826 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4cccc(C)c4C)cc3)cc(=O)n2o1 ZINC000035429512 525675878 /nfs/dbraw/zinc/67/58/78/525675878.db2.gz CNJHGUFIWACCSJ-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN C[C@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000012383208 525697290 /nfs/dbraw/zinc/69/72/90/525697290.db2.gz RJVQLNZDMQEKTD-GACUPHCCSA-N 0 0 445.518 4.771 50 0 IJAARN COc1cccc(-c2nc(CSc3nnc(-c4ccccc4Cl)n3N)cs2)c1 ZINC000013113417 525725175 /nfs/dbraw/zinc/72/51/75/525725175.db2.gz BCPRHYAFRHHAIA-UHFFFAOYSA-N 0 0 429.958 4.737 50 0 IJAARN Cc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1C ZINC000012792157 525773231 /nfs/dbraw/zinc/77/32/31/525773231.db2.gz SEWYOTYWKNPJPT-SANMLTNESA-N 0 0 427.548 4.513 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1F ZINC000021863121 525791589 /nfs/dbraw/zinc/79/15/89/525791589.db2.gz ZNCGEGWKDRIQOA-SANMLTNESA-N 0 0 449.526 4.751 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccc(F)cc1 ZINC000021526558 525794378 /nfs/dbraw/zinc/79/43/78/525794378.db2.gz AOZQJKKSUAFHSQ-VWLOTQADSA-N 0 0 437.515 4.627 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)s1 ZINC000035460620 525798313 /nfs/dbraw/zinc/79/83/13/525798313.db2.gz JONFVFNVLQIWHM-UHFFFAOYSA-N 0 0 435.553 4.916 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCCCC3)no2)cc1 ZINC000035460587 525798870 /nfs/dbraw/zinc/79/88/70/525798870.db2.gz VHKGYRLDOMOVAK-UHFFFAOYSA-N 0 0 429.524 4.854 50 0 IJAARN Cc1ccc(-c2nn(C[C@H](O)c3cccc(Br)c3)c(=O)c3ccccc32)cc1 ZINC000013007105 525841107 /nfs/dbraw/zinc/84/11/07/525841107.db2.gz NBBOOIGEYZKYJY-NRFANRHFSA-N 0 0 435.321 4.868 50 0 IJAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4ccc(C)cc4C)n3)o2)cc1 ZINC000021721634 525857096 /nfs/dbraw/zinc/85/70/96/525857096.db2.gz FFBJLMZCWRUDDB-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1ccc(-c2nnc(SCc3noc(CCC(=O)Nc4c(C)cccc4C)n3)o2)cc1 ZINC000021721631 525857569 /nfs/dbraw/zinc/85/75/69/525857569.db2.gz CMQNFTUXIBXQJF-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN COc1cccc(C2=N/C(=C\c3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)C(=O)O2)c1 ZINC000014253072 525857498 /nfs/dbraw/zinc/85/74/98/525857498.db2.gz DZOYZWZCXJIMEA-MTJSOVHGSA-N 0 0 447.516 4.798 50 0 IJAARN Cc1ccc(-c2nnc(SC[C@H](O)Cn3c4ccccc4c4c3CCCC4)n2C)cc1 ZINC000012462081 525857636 /nfs/dbraw/zinc/85/76/36/525857636.db2.gz MKKCCKXAOUXRCF-LJQANCHMSA-N 0 0 432.593 4.777 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009237170 525859744 /nfs/dbraw/zinc/85/97/44/525859744.db2.gz JLIRMWWVNHXXAR-LEWJYISDSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012787499 525864058 /nfs/dbraw/zinc/86/40/58/525864058.db2.gz VLIMHRXEXITWDK-UHFFFAOYSA-N 0 0 447.922 4.969 50 0 IJAARN C[C@H](OC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C(=O)N(C)Cc1ccccc1 ZINC000069529892 525878901 /nfs/dbraw/zinc/87/89/01/525878901.db2.gz WGHKATBAGNUMBI-CPJSRVTESA-N 0 0 441.531 4.584 50 0 IJAARN COc1cccc(CCC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)c1OC ZINC000012772715 525883508 /nfs/dbraw/zinc/88/35/08/525883508.db2.gz CDCFSUKBRVSAIA-UHFFFAOYSA-N 0 0 434.323 4.827 50 0 IJAARN C[C@@H](OC(=O)[C@H](C)Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000016931042 525892046 /nfs/dbraw/zinc/89/20/46/525892046.db2.gz SKPFGARUFCSHDX-NEPJUHHUSA-N 0 0 426.307 4.639 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC(C)C)C(=O)C2CC2)cc1F ZINC000036051554 525904777 /nfs/dbraw/zinc/90/47/77/525904777.db2.gz BQVZIROKGGOYIG-UHFFFAOYSA-N 0 0 448.542 4.820 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3ccccc3F)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000035529134 525924926 /nfs/dbraw/zinc/92/49/26/525924926.db2.gz CWJHFOHYXJKQAC-OAQYLSRUSA-N 0 0 436.458 4.809 50 0 IJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012550174 525925552 /nfs/dbraw/zinc/92/55/52/525925552.db2.gz RCSVQCSCHSUYGX-SCLBCKFNSA-N 0 0 448.748 4.509 50 0 IJAARN Cc1ccc(-n2ncc3c2nc(C2CC2)nc3NC2CCC(NC(=O)CC(C)C)CC2)cc1 ZINC000036002022 525934024 /nfs/dbraw/zinc/93/40/24/525934024.db2.gz LZLRMUZBZLCWKV-UHFFFAOYSA-N 0 0 446.599 4.887 50 0 IJAARN Cc1cn2c(nc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2=O)s1 ZINC000020859424 525941003 /nfs/dbraw/zinc/94/10/03/525941003.db2.gz WLLKNHXYVAQKRJ-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN COc1cccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)c1 ZINC000021662864 526001975 /nfs/dbraw/zinc/00/19/75/526001975.db2.gz QSNHEWNFJDANIU-UHFFFAOYSA-N 0 0 425.488 4.799 50 0 IJAARN C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000012755630 526012778 /nfs/dbraw/zinc/01/27/78/526012778.db2.gz AUPOKJCETIYTJJ-HNNXBMFYSA-N 0 0 444.580 4.926 50 0 IJAARN Cc1cc(-c2csc(NC(=O)CN3CCSC3=O)n2)c(C)n1CCc1ccccc1 ZINC000012388823 526048794 /nfs/dbraw/zinc/04/87/94/526048794.db2.gz QUZQXFXVDDBXEN-UHFFFAOYSA-N 0 0 440.594 4.578 50 0 IJAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1=O ZINC000012520384 526096002 /nfs/dbraw/zinc/09/60/02/526096002.db2.gz AHLHPASIHQNYMF-LPHOPBHVSA-N 0 0 430.533 4.611 50 0 IJAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1=O ZINC000012520386 526096350 /nfs/dbraw/zinc/09/63/50/526096350.db2.gz AHLHPASIHQNYMF-QFBILLFUSA-N 0 0 430.533 4.611 50 0 IJAARN CSc1cccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000015827278 526106428 /nfs/dbraw/zinc/10/64/28/526106428.db2.gz VRHPMNZIBOINFB-UHFFFAOYSA-N 0 0 428.510 4.883 50 0 IJAARN CSc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000021099604 526128281 /nfs/dbraw/zinc/12/82/81/526128281.db2.gz XSQVRQDCBXZWQG-UHFFFAOYSA-N 0 0 432.505 4.639 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000021811450 526141224 /nfs/dbraw/zinc/14/12/24/526141224.db2.gz 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O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1ccc(Br)cc1Cl ZINC000012156029 527055475 /nfs/dbraw/zinc/05/54/75/527055475.db2.gz IBKQYYAFONUHHX-UHFFFAOYSA-N 0 0 429.771 4.684 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000018485497 527060555 /nfs/dbraw/zinc/06/05/55/527060555.db2.gz RVHOVZHUEKMRAQ-UHFFFAOYSA-N 0 0 436.533 4.648 50 0 IJAARN NC(=O)c1ccc(NC(=O)Cn2c(Cc3cccc4ccccc43)nc3ccccc32)cc1 ZINC000012575654 527060737 /nfs/dbraw/zinc/06/07/37/527060737.db2.gz AYZOAHOVBLOHAM-UHFFFAOYSA-N 0 0 434.499 4.518 50 0 IJAARN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000024630505 527065302 /nfs/dbraw/zinc/06/53/02/527065302.db2.gz LUHIGHKHPCXFFW-HNNXBMFYSA-N 0 0 449.001 4.565 50 0 IJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NC(=O)c1cccs1 ZINC000012782395 527073477 /nfs/dbraw/zinc/07/34/77/527073477.db2.gz DDDGGIAVLBXMIG-UHFFFAOYSA-N 0 0 429.523 4.608 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ccc2c(c1)OCCO2 ZINC000008862336 527080219 /nfs/dbraw/zinc/08/02/19/527080219.db2.gz HFQWKBIPULAAKB-UHFFFAOYSA-N 0 0 440.525 4.545 50 0 IJAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012632071 527086133 /nfs/dbraw/zinc/08/61/33/527086133.db2.gz KVDNXVPVWDYUCH-TZIWHRDSSA-N 0 0 439.629 4.531 50 0 IJAARN Cn1c(SCc2ccc(Br)cc2)nnc1-c1sc2ncccc2c1N ZINC000035477241 527086616 /nfs/dbraw/zinc/08/66/16/527086616.db2.gz GKNWOUOGZSVVQA-UHFFFAOYSA-N 0 0 432.372 4.729 50 0 IJAARN Cn1c(S[C@H]2CCc3ccccc3NC2=O)nnc1-c1ccccc1Br ZINC000020731553 527089273 /nfs/dbraw/zinc/08/92/73/527089273.db2.gz FGSJZYZIDGNSSW-INIZCTEOSA-N 0 0 429.343 4.940 50 0 IJAARN NC(=O)c1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000015982102 527092248 /nfs/dbraw/zinc/09/22/48/527092248.db2.gz JNGZRDWPXNMYKE-RUZDIDTESA-N 0 0 449.510 4.695 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000001030502 527104625 /nfs/dbraw/zinc/10/46/25/527104625.db2.gz ITAPNCLXKZDYHV-UHFFFAOYSA-N 0 0 434.336 4.693 50 0 IJAARN Cn1c2ccccc2c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1-c1ccccc1 ZINC000012814446 527109733 /nfs/dbraw/zinc/10/97/33/527109733.db2.gz YNIONDCYZUINAP-JOCHJYFZSA-N 0 0 445.588 4.710 50 0 IJAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1n[nH]c(-c2ccccc2)n1 ZINC000012628478 527119939 /nfs/dbraw/zinc/11/99/39/527119939.db2.gz RJJHZEUYSCRDRI-UHFFFAOYSA-N 0 0 428.062 4.886 50 0 IJAARN O=C(Nc1cc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)ccc1F)C1CCCCC1 ZINC000065477889 527128724 /nfs/dbraw/zinc/12/87/24/527128724.db2.gz ZQWAJKLKBYNATA-WOJBJXKFSA-N 0 0 447.551 4.536 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1cc2c(s1)CCC2 ZINC000012583514 527129861 /nfs/dbraw/zinc/12/98/61/527129861.db2.gz NLQIUTCGQWMHHZ-UHFFFAOYSA-N 0 0 439.002 4.707 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000035166825 527181719 /nfs/dbraw/zinc/18/17/19/527181719.db2.gz SEXMYNDDXWHZSY-INIZCTEOSA-N 0 0 433.895 4.584 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882867 527198449 /nfs/dbraw/zinc/19/84/49/527198449.db2.gz 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ZINC000012902528 527265664 /nfs/dbraw/zinc/26/56/64/527265664.db2.gz AHTBITDQTUDCRF-OAHLLOKOSA-N 0 0 445.176 4.737 50 0 IJAARN O=S(=O)(c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)N1CCc2ccccc21 ZINC000020533717 527277472 /nfs/dbraw/zinc/27/74/72/527277472.db2.gz USNMCCRPGMCLQT-UHFFFAOYSA-N 0 0 443.981 4.900 50 0 IJAARN O=S(=O)(c1nc(-c2cccs2)oc1NCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000012419707 527297276 /nfs/dbraw/zinc/29/72/76/527297276.db2.gz RXFZAMRKOJJTEQ-UHFFFAOYSA-N 0 0 448.957 4.588 50 0 IJAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1I ZINC000012862556 527299973 /nfs/dbraw/zinc/29/99/73/527299973.db2.gz HAEMQKJYLWCVJX-UHFFFAOYSA-N 0 0 449.317 4.753 50 0 IJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000012317316 527309004 /nfs/dbraw/zinc/30/90/04/527309004.db2.gz SEYKWYRTAJOLQN-IBGZPJMESA-N 0 0 432.499 4.584 50 0 IJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000022066958 527335094 /nfs/dbraw/zinc/33/50/94/527335094.db2.gz IWKQKQXHGCBAPO-UHFFFAOYSA-N 0 0 427.532 4.905 50 0 IJAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccc2c(c1)OCCO2 ZINC000020555426 527337633 /nfs/dbraw/zinc/33/76/33/527337633.db2.gz XCQATJFACGPPIR-UHFFFAOYSA-N 0 0 425.897 4.669 50 0 IJAARN O=C(Nc1cccc(I)c1)c1ccc(OCc2cscn2)cc1 ZINC000012764812 527356181 /nfs/dbraw/zinc/35/61/81/527356181.db2.gz YADIWHUNKOAUFA-UHFFFAOYSA-N 0 0 436.274 4.579 50 0 IJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012765499 527364496 /nfs/dbraw/zinc/36/44/96/527364496.db2.gz YAWDTYBKDNATAE-UHFFFAOYSA-N 0 0 431.414 4.664 50 0 IJAARN Cc1nccn1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000012601150 527390008 /nfs/dbraw/zinc/39/00/08/527390008.db2.gz FSKDYDSAYVZZJB-UHFFFAOYSA-N 0 0 428.945 4.676 50 0 IJAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccc(Br)o1 ZINC000022461494 527402731 /nfs/dbraw/zinc/40/27/31/527402731.db2.gz HVSQLTSQTUTHAN-UHFFFAOYSA-N 0 0 440.253 4.923 50 0 IJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCc1ccccn1)nc2-c1ccccc1 ZINC000035929502 527436249 /nfs/dbraw/zinc/43/62/49/527436249.db2.gz DVMDLJAZQASWDD-UHFFFAOYSA-N 0 0 441.926 4.768 50 0 IJAARN O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc(Br)cc2)on1 ZINC000012409372 527463534 /nfs/dbraw/zinc/46/35/34/527463534.db2.gz JSPBRXWZDKANKU-UHFFFAOYSA-N 0 0 429.299 4.663 50 0 IJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012421526 527497871 /nfs/dbraw/zinc/49/78/71/527497871.db2.gz NQQJQWNZLXKSFM-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015830796 527499616 /nfs/dbraw/zinc/49/96/16/527499616.db2.gz WDLJJGNFXFKOPQ-UHFFFAOYSA-N 0 0 434.094 4.695 50 0 IJAARN O=C(NC1CCCCC1)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938598 527516579 /nfs/dbraw/zinc/51/65/79/527516579.db2.gz ZLUDZPRTHRUFQO-UHFFFAOYSA-N 0 0 428.536 4.550 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012805363 527534461 /nfs/dbraw/zinc/53/44/61/527534461.db2.gz QPHJGVLWKYFJNC-HNNXBMFYSA-N 0 0 429.442 4.910 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(C)nc(NC3CCC(NC(=O)NC(C)(C)C)CC3)c12 ZINC000035993141 527534565 /nfs/dbraw/zinc/53/45/65/527534565.db2.gz ODEQWPDKQVJAKD-UHFFFAOYSA-N 0 0 449.603 4.562 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020891299 527571558 /nfs/dbraw/zinc/57/15/58/527571558.db2.gz UMACXZNLEFVRKU-SFHVURJKSA-N 0 0 428.489 4.843 50 0 IJAARN O=C(/C=C/c1ccc(I)o1)N[C@H](c1cccs1)c1ccccc1 ZINC000012264953 527610367 /nfs/dbraw/zinc/61/03/67/527610367.db2.gz VFAQKGVNNYISCH-CKDFRHGISA-N 0 0 435.286 4.865 50 0 IJAARN O=C(/C=C/c1ccc(F)cc1)NCc1cccc(CNC(=O)/C=C\c2ccc(F)cc2)c1 ZINC000033456136 527610871 /nfs/dbraw/zinc/61/08/71/527610871.db2.gz DKLBDVUDXSEHDQ-DJJIWSAGSA-N 0 0 432.470 4.624 50 0 IJAARN O=C(C=Cc1ccccn1)N1CCC(c2n[nH]cc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000012246302 527637080 /nfs/dbraw/zinc/63/70/80/527637080.db2.gz PSXNLEYEWQGRAM-BQYQJAHWSA-N 0 0 426.442 4.910 50 0 IJAARN C=C1C(N2CCN(c3cccc(C)c3)[C@H](C)C2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009251847 535239288 /nfs/dbraw/zinc/23/92/88/535239288.db2.gz DHMUUAMZJAPLQR-LJQANCHMSA-N 0 0 437.609 4.802 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc3c4c2CCCN4CCC3)nc1 ZINC000013147929 535418440 /nfs/dbraw/zinc/41/84/40/535418440.db2.gz XIFYXPPDGZFOAB-UHFFFAOYSA-N 0 0 449.576 4.788 50 0 IJAARN COC(=O)c1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000003282988 536818101 /nfs/dbraw/zinc/81/81/01/536818101.db2.gz HOJIETNXWUJGMT-RCCKNPSSSA-N 0 0 426.472 4.730 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)N4CCCc5ccccc54)c(C)c13)CCC(C)(C)O2 ZINC000013721907 536888698 /nfs/dbraw/zinc/88/86/98/536888698.db2.gz UBTGSQGKJTVUHQ-UHFFFAOYSA-N 0 0 447.531 4.736 50 0 IJAARN O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000626764 555512902 /nfs/dbraw/zinc/51/29/02/555512902.db2.gz KMLCWFDYWHAPNF-OAHLLOKOSA-N 0 0 439.298 4.758 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 ZINC000000627689 555513426 /nfs/dbraw/zinc/51/34/26/555513426.db2.gz LLJRITVCYCZUAD-HXUWFJFHSA-N 0 0 443.883 4.611 50 0 IJAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1C[C@@H]1CCCO1 ZINC000000632283 555515251 /nfs/dbraw/zinc/51/52/51/555515251.db2.gz GZGQDUSMTKLMQV-HNNXBMFYSA-N 0 0 426.567 4.516 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)c(C)c3C)n[nH]2)cc1 ZINC000000633987 555516107 /nfs/dbraw/zinc/51/61/07/555516107.db2.gz JUAIJTZHZXIBBO-UHFFFAOYSA-N 0 0 447.358 4.590 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1c(OC)ccc2ccccc21 ZINC000000641195 555518354 /nfs/dbraw/zinc/51/83/54/555518354.db2.gz RNLLDTQWLQTKQM-QHCPKHFHSA-N 0 0 447.560 4.679 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)N2CCc3ccccc32)cc1 ZINC000000645860 555520705 /nfs/dbraw/zinc/52/07/05/555520705.db2.gz GSEHLZQOBINPDT-UHFFFAOYSA-N 0 0 443.547 4.753 50 0 IJAARN O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000000646666 555521277 /nfs/dbraw/zinc/52/12/77/555521277.db2.gz NVKAQFLXHIJDOF-UHFFFAOYSA-N 0 0 428.410 4.653 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3c(=O)o1)C[C@H](C)CC2 ZINC000000650178 555522622 /nfs/dbraw/zinc/52/26/22/555522622.db2.gz CAJLJXBJPMKUGL-CYBMUJFWSA-N 0 0 425.506 4.797 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000652489 555523483 /nfs/dbraw/zinc/52/34/83/555523483.db2.gz VDLDYDIJJMYWAJ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000000652977 555523787 /nfs/dbraw/zinc/52/37/87/555523787.db2.gz SSVJRDFRKXBCGX-UHFFFAOYSA-N 0 0 436.577 4.542 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1cccc(C)c1 ZINC000000664225 555527613 /nfs/dbraw/zinc/52/76/13/555527613.db2.gz CQDNLHUPRFNMKC-UHFFFAOYSA-N 0 0 431.359 4.686 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000669290 555530143 /nfs/dbraw/zinc/53/01/43/555530143.db2.gz FSVMCNBSWYAVPF-XMMPIXPASA-N 0 0 434.492 4.882 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000000671006 555530968 /nfs/dbraw/zinc/53/09/68/555530968.db2.gz QDUDCXCNALDWKN-UHFFFAOYSA-N 0 0 448.588 4.878 50 0 IJAARN 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COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c3ccccc23)cc1OC ZINC000001182523 555672520 /nfs/dbraw/zinc/67/25/20/555672520.db2.gz NNTGIVMWDYPCJT-UHFFFAOYSA-N 0 0 445.338 4.746 50 0 IJAARN Cc1ccc(-n2nnnc2SCc2cccc(I)c2)cc1Cl ZINC000001185445 555673953 /nfs/dbraw/zinc/67/39/53/555673953.db2.gz XIPMQUKRHLSWTM-UHFFFAOYSA-N 0 0 442.713 4.521 50 0 IJAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001186614 555674611 /nfs/dbraw/zinc/67/46/11/555674611.db2.gz UAXDGWWWAACYHA-JXMROGBWSA-N 0 0 441.281 4.955 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)NCc3ccccc3C)cc2)S(C)(=O)=O)cc1C ZINC000001188873 555675163 /nfs/dbraw/zinc/67/51/63/555675163.db2.gz RFYPPYPINCKSBZ-UHFFFAOYSA-N 0 0 436.577 4.508 50 0 IJAARN COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001189248 555675597 /nfs/dbraw/zinc/67/55/97/555675597.db2.gz HRMPSTLMLQTUFW-DEOSSOPVSA-N 0 0 444.487 4.859 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000001206483 555680612 /nfs/dbraw/zinc/68/06/12/555680612.db2.gz 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CCCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000002081949 555738376 /nfs/dbraw/zinc/73/83/76/555738376.db2.gz NIDIKMNBYTYBNN-CYBMUJFWSA-N 0 0 447.553 4.718 50 0 IJAARN CCOC(=O)C1=C(N)Oc2ccc3cc(Br)ccc3c2[C@@H]1c1ccc(F)cc1 ZINC000002154086 555750232 /nfs/dbraw/zinc/75/02/32/555750232.db2.gz NAYSCBMQWMBQLQ-SFHVURJKSA-N 0 0 442.284 4.999 50 0 IJAARN COc1ccccc1NC(=O)CSCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000002219178 555758986 /nfs/dbraw/zinc/75/89/86/555758986.db2.gz SIHQRVRDBXQBKB-UHFFFAOYSA-N 0 0 432.545 4.830 50 0 IJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccco1 ZINC000002249155 555762290 /nfs/dbraw/zinc/76/22/90/555762290.db2.gz QRDJWQYZRKDNEV-UHFFFAOYSA-N 0 0 442.294 4.977 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 ZINC000002328707 555769202 /nfs/dbraw/zinc/76/92/02/555769202.db2.gz XJXVKNBYPIOYKO-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccco2)cc1 ZINC000002449533 555781061 /nfs/dbraw/zinc/78/10/61/555781061.db2.gz ZRCJVJZLPKZURD-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000002450957 555781695 /nfs/dbraw/zinc/78/16/95/555781695.db2.gz PZZRSWFKDUYXGY-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CN(C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)c1ccccc1 ZINC000002503288 555784884 /nfs/dbraw/zinc/78/48/84/555784884.db2.gz GKCWURFIYQPOTM-UHFFFAOYSA-N 0 0 439.231 4.812 50 0 IJAARN Cn1c(COc2cccc(C(F)(F)F)c2)c(Br)c(=O)n1-c1ccccc1 ZINC000002534735 555786441 /nfs/dbraw/zinc/78/64/41/555786441.db2.gz NLGUSAIPEHCZFQ-UHFFFAOYSA-N 0 0 427.220 4.536 50 0 IJAARN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034675788 555794169 /nfs/dbraw/zinc/79/41/69/555794169.db2.gz UPBIYEJCPBJIKR-UHFFFAOYSA-N 0 0 425.960 4.689 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCc1ccccn1 ZINC000034675932 555794407 /nfs/dbraw/zinc/79/44/07/555794407.db2.gz LXNVSBNDJJYOAE-UHFFFAOYSA-N 0 0 435.527 4.788 50 0 IJAARN COC(=O)c1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000002666991 555796526 /nfs/dbraw/zinc/79/65/26/555796526.db2.gz VVUHGIQMPCZDHE-MRXNPFEDSA-N 0 0 441.808 4.684 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1coc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000034678285 555797077 /nfs/dbraw/zinc/79/70/77/555797077.db2.gz WIPQHUOAEHLCSW-UHFFFAOYSA-N 0 0 445.350 4.552 50 0 IJAARN O=S(=O)(c1nnn2c1nc(Nc1ccc(Cl)cc1)c1ccccc12)c1ccccc1 ZINC000002692139 555799451 /nfs/dbraw/zinc/79/94/51/555799451.db2.gz LMOQDFPZFBOPDV-UHFFFAOYSA-N 0 0 435.896 4.507 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCN(c3cc4oc5ccccc5c4cc3OC)C2=O)cc1 ZINC000034696175 555810662 /nfs/dbraw/zinc/81/06/62/555810662.db2.gz NSPOWGDMEVKYHH-SFHVURJKSA-N 0 0 430.460 4.595 50 0 IJAARN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccco3)CC2)cc1 ZINC000034683694 555819135 /nfs/dbraw/zinc/81/91/35/555819135.db2.gz IWEVIFWJEBXGOB-UHFFFAOYSA-N 0 0 428.529 4.587 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NC(C)C ZINC000034708383 555822998 /nfs/dbraw/zinc/82/29/98/555822998.db2.gz UTMIPQGCDMHCTG-RPBOFIJWSA-N 0 0 434.580 4.561 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000034708368 555823028 /nfs/dbraw/zinc/82/30/28/555823028.db2.gz NQQIOIXQYPKNFP-IZZNHLLZSA-N 0 0 448.607 4.809 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711844 555824813 /nfs/dbraw/zinc/82/48/13/555824813.db2.gz ZLIXSDGRPRLLSL-IBGZPJMESA-N 0 0 428.941 4.951 50 0 IJAARN COc1cc(-c2nc(C(=O)NCc3cccnc3)cs2)ccc1OCc1ccccc1 ZINC000034712291 555825560 /nfs/dbraw/zinc/82/55/60/555825560.db2.gz JRINKIBHUMUHAF-UHFFFAOYSA-N 0 0 431.517 4.723 50 0 IJAARN COc1ccc(OCCSCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000002824403 555830789 /nfs/dbraw/zinc/83/07/89/555830789.db2.gz FCLYPDWPOZEIKA-UHFFFAOYSA-N 0 0 446.554 4.512 50 0 IJAARN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccco4)cc3n2)cc1 ZINC000002835666 555832958 /nfs/dbraw/zinc/83/29/58/555832958.db2.gz MFDSOCHVCZDUOQ-UHFFFAOYSA-N 0 0 433.537 4.791 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1Br ZINC000002840532 555835021 /nfs/dbraw/zinc/83/50/21/555835021.db2.gz NBPHBLBCPNXPAN-UHFFFAOYSA-N 0 0 435.318 4.703 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000002843614 555836648 /nfs/dbraw/zinc/83/66/48/555836648.db2.gz GWAIWHSWFGUMNP-UHFFFAOYSA-N 0 0 440.590 4.935 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(CSCc3ccc(Cl)cc3)n2C)cc1 ZINC000002846498 555837718 /nfs/dbraw/zinc/83/77/18/555837718.db2.gz VHSGFQRKCUFFFF-UHFFFAOYSA-N 0 0 433.002 4.941 50 0 IJAARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC000002846550 555838013 /nfs/dbraw/zinc/83/80/13/555838013.db2.gz QISFPTODUNWTHZ-UHFFFAOYSA-N 0 0 440.293 4.972 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000002851151 555839315 /nfs/dbraw/zinc/83/93/15/555839315.db2.gz KBLMWTZJJIPVTO-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000002852386 555839870 /nfs/dbraw/zinc/83/98/70/555839870.db2.gz YPPOLROPOPSWER-UHFFFAOYSA-N 0 0 429.524 4.836 50 0 IJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(Cn3cc(Cl)cn3)c2)s1 ZINC000002852967 555840225 /nfs/dbraw/zinc/84/02/25/555840225.db2.gz DNLZOYNXNNTPKE-UHFFFAOYSA-N 0 0 434.974 4.804 50 0 IJAARN CN(c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000002853209 555840421 /nfs/dbraw/zinc/84/04/21/555840421.db2.gz KUWSRPOMERNGEV-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000002866778 555847797 /nfs/dbraw/zinc/84/77/97/555847797.db2.gz JOKDXHDOCZQOPP-UHFFFAOYSA-N 0 0 430.529 4.846 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002873727 555851118 /nfs/dbraw/zinc/85/11/18/555851118.db2.gz VMLAWIAOMPQFFC-CRAIPNDOSA-N 0 0 430.386 4.524 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000002875206 555851792 /nfs/dbraw/zinc/85/17/92/555851792.db2.gz VYHRKAJTPZQBIX-UHFFFAOYSA-N 0 0 442.924 4.620 50 0 IJAARN O=C(c1ccccc1F)N(CCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2c1 ZINC000002875676 555852035 /nfs/dbraw/zinc/85/20/35/555852035.db2.gz MFAHFQYHNNOFJU-UHFFFAOYSA-N 0 0 438.458 4.922 50 0 IJAARN COc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1 ZINC000002877437 555852942 /nfs/dbraw/zinc/85/29/42/555852942.db2.gz XBCQPZBUOKOWBX-UHFFFAOYSA-N 0 0 438.290 4.566 50 0 IJAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl ZINC000002884317 555857261 /nfs/dbraw/zinc/85/72/61/555857261.db2.gz LPXDPHSWPPFGRK-UHFFFAOYSA-N 0 0 440.352 4.723 50 0 IJAARN O=C(NCCCn1ccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002922355 555863409 /nfs/dbraw/zinc/86/34/09/555863409.db2.gz MCYWUHMAYGHKCD-UHFFFAOYSA-N 0 0 435.325 4.681 50 0 IJAARN COC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(=O)OC)c1 ZINC000002937272 555864515 /nfs/dbraw/zinc/86/45/15/555864515.db2.gz QEBVDQMLCIZZLW-UHFFFAOYSA-N 0 0 449.303 4.550 50 0 IJAARN Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034714967 555864800 /nfs/dbraw/zinc/86/48/00/555864800.db2.gz KZSCJJVKLLJIJH-BJKOFHAPSA-N 0 0 430.523 4.696 50 0 IJAARN CCc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002965076 555868421 /nfs/dbraw/zinc/86/84/21/555868421.db2.gz OLAJPNAEAJCUBZ-UHFFFAOYSA-N 0 0 442.968 4.732 50 0 IJAARN Cc1ccc(C(=O)NC2CCCCC2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000034728887 555869020 /nfs/dbraw/zinc/86/90/20/555869020.db2.gz MDELWIQRAOEHTG-UHFFFAOYSA-N 0 0 441.522 4.751 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000002978491 555870624 /nfs/dbraw/zinc/87/06/24/555870624.db2.gz IQFHRNQEAPLPDP-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2Cl)cc1 ZINC000002982493 555872830 /nfs/dbraw/zinc/87/28/30/555872830.db2.gz GOTLZSFIYNZBIX-UHFFFAOYSA-N 0 0 437.005 4.641 50 0 IJAARN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)NC1CCCCC1 ZINC000002996816 555876342 /nfs/dbraw/zinc/87/63/42/555876342.db2.gz CZJVASODUAUQNE-UHFFFAOYSA-N 0 0 444.384 4.929 50 0 IJAARN O=C(OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003000079 555877590 /nfs/dbraw/zinc/87/75/90/555877590.db2.gz GKAOFIMMHHMROE-UHFFFAOYSA-N 0 0 447.306 4.574 50 0 IJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2=O)cc1 ZINC000034734436 555879108 /nfs/dbraw/zinc/87/91/08/555879108.db2.gz NTQBUKVVZGHWMV-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN CCOC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000003014172 555880317 /nfs/dbraw/zinc/88/03/17/555880317.db2.gz BDHAXSOEEVHTBV-SECBINFHSA-N 0 0 439.579 4.722 50 0 IJAARN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000034724822 555881711 /nfs/dbraw/zinc/88/17/11/555881711.db2.gz QXIDHJQGLBZZHR-UHFFFAOYSA-N 0 0 427.548 4.648 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000003103404 555887330 /nfs/dbraw/zinc/88/73/30/555887330.db2.gz KGBCAOZNVZDDTB-KRWDZBQOSA-N 0 0 435.229 4.657 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1cccc(Cl)c1)C(F)(F)F ZINC000003138072 555891119 /nfs/dbraw/zinc/89/11/19/555891119.db2.gz GYXWWZDSCWFVJN-QGZVFWFLSA-N 0 0 435.229 4.657 50 0 IJAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NC(C)C)cc1 ZINC000034785950 555896647 /nfs/dbraw/zinc/89/66/47/555896647.db2.gz QUDTUGWVMKWYRA-UHFFFAOYSA-N 0 0 433.434 4.679 50 0 IJAARN Cc1cccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)C2CCCC2)CC3)c1 ZINC000034757856 555902620 /nfs/dbraw/zinc/90/26/20/555902620.db2.gz BVQKXIANDGWFCS-UHFFFAOYSA-N 0 0 434.584 4.889 50 0 IJAARN C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000034807271 555907913 /nfs/dbraw/zinc/90/79/13/555907913.db2.gz NXPZNUXKWLSULU-BIUWRGFISA-N 0 0 448.522 4.642 50 0 biogenic IJAARN CC(C)(C)c1ccc(CN2C(=O)CSc3nnc(COc4ccccc4Cl)n32)cc1 ZINC000034809960 555908191 /nfs/dbraw/zinc/90/81/91/555908191.db2.gz XLBLNYSSLKVMPI-UHFFFAOYSA-N 0 0 442.972 4.579 50 0 IJAARN C[C@H]1CCCCN1c1nnc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000034838150 555914435 /nfs/dbraw/zinc/91/44/35/555914435.db2.gz KDSRTVKHCFMAPG-HNNXBMFYSA-N 0 0 428.458 4.957 50 0 IJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2c(OC)cccc2OC)c(OC)c1 ZINC000034796081 555917764 /nfs/dbraw/zinc/91/77/64/555917764.db2.gz XROBMEXEWOEQIG-UHFFFAOYSA-N 0 0 439.512 4.562 50 0 IJAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCCNC(=O)CCC3CCCC3)cs2)c1 ZINC000034905426 555919745 /nfs/dbraw/zinc/91/97/45/555919745.db2.gz BJAZTBCSIFQWDB-UHFFFAOYSA-N 0 0 443.613 4.545 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2-c2ccco2)cc1 ZINC000034911391 555923557 /nfs/dbraw/zinc/92/35/57/555923557.db2.gz VEGMHKKIRUBWJG-UHFFFAOYSA-N 0 0 426.520 4.931 50 0 IJAARN CCc1nc(C)nc(N2CCCN(C(=O)c3ccc(C)cc3)CC2)c1Cc1ccc(C)cc1 ZINC000034877837 555926442 /nfs/dbraw/zinc/92/64/42/555926442.db2.gz VXIFHNBFERPRNR-UHFFFAOYSA-N 0 0 442.607 4.908 50 0 IJAARN O=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000034899097 555928589 /nfs/dbraw/zinc/92/85/89/555928589.db2.gz AUGIXHMUHCHGTI-LBPRGKRZSA-N 0 0 431.380 4.887 50 0 IJAARN COCCCNC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCC2 ZINC000003462211 555935622 /nfs/dbraw/zinc/93/56/22/555935622.db2.gz ZWQNPWFOJDOEMU-UHFFFAOYSA-N 0 0 426.538 4.700 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4cc(C)ccc4C)c(C)n3n2)cc1 ZINC000003638173 555942743 /nfs/dbraw/zinc/94/27/43/555942743.db2.gz WMLARFDUHRWHLZ-UHFFFAOYSA-N 0 0 445.592 4.988 50 0 IJAARN C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000010562785 556067924 /nfs/dbraw/zinc/06/79/24/556067924.db2.gz JLUANBQGBKJLGW-GFCCVEGCSA-N 0 0 435.263 4.744 50 0 IJAARN O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000006457313 556089206 /nfs/dbraw/zinc/08/92/06/556089206.db2.gz XGPCVYHFUDLAKF-UHFFFAOYSA-N 0 0 442.338 4.550 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)Nc2cccc(Br)c2)n(C[C@H]2CCCO2)c1C ZINC000018596334 556114486 /nfs/dbraw/zinc/11/44/86/556114486.db2.gz YTEZWCOAUREMEM-RHSMWYFYSA-N 0 0 438.391 4.561 50 0 IJAARN O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010584993 556115018 /nfs/dbraw/zinc/11/50/18/556115018.db2.gz FZZFGWDVCDDSMO-JOCHJYFZSA-N 0 0 433.939 4.857 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCCO4)cc1C ZINC000002691624 556120029 /nfs/dbraw/zinc/12/00/29/556120029.db2.gz MLIJXICBZVTLTQ-UHFFFAOYSA-N 0 0 443.474 4.808 50 0 IJAARN Cc1cc(C)c(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c(C)c1 ZINC000002697085 556121467 /nfs/dbraw/zinc/12/14/67/556121467.db2.gz ZAWMRUFUSXUVSJ-HXUWFJFHSA-N 0 0 436.577 4.547 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002691263 556122071 /nfs/dbraw/zinc/12/20/71/556122071.db2.gz WNDOWROGJRPPMU-UHFFFAOYSA-N 0 0 441.483 4.581 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1OCC ZINC000002704210 556123594 /nfs/dbraw/zinc/12/35/94/556123594.db2.gz NQMCQITUXHRMHL-FQEVSTJZSA-N 0 0 448.500 4.797 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704279 556123606 /nfs/dbraw/zinc/12/36/06/556123606.db2.gz IOFIUMTZWYNTOY-JOCHJYFZSA-N 0 0 447.874 4.906 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000002720339 556126813 /nfs/dbraw/zinc/12/68/13/556126813.db2.gz RVYHVJMMDWDEJJ-UHFFFAOYSA-N 0 0 438.534 4.990 50 0 IJAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000002720623 556127076 /nfs/dbraw/zinc/12/70/76/556127076.db2.gz CHTHJINDWNXKGO-UHFFFAOYSA-N 0 0 444.491 4.737 50 0 IJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720803 556127447 /nfs/dbraw/zinc/12/74/47/556127447.db2.gz MCRZSZYPGQHZKV-UHFFFAOYSA-N 0 0 441.512 4.851 50 0 IJAARN CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002722909 556128486 /nfs/dbraw/zinc/12/84/86/556128486.db2.gz LTPADVPULKMICK-HJPURHCSSA-N 0 0 427.570 4.621 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000002717855 556131325 /nfs/dbraw/zinc/13/13/25/556131325.db2.gz GSLGJAMAQNQNIT-UHFFFAOYSA-N 0 0 439.928 4.522 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c(c2=O)SCC3)cc1 ZINC000002719751 556131966 /nfs/dbraw/zinc/13/19/66/556131966.db2.gz LQHBGCQCZAXAML-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN CCc1c(C)sc2ncn3nc(CSc4nccc(-c5ccc(OC)cc5)n4)nc3c12 ZINC000002790352 556139596 /nfs/dbraw/zinc/13/95/96/556139596.db2.gz TZTWBWRBUHSGCF-UHFFFAOYSA-N 0 0 448.577 4.968 50 0 IJAARN O=C(Nc1ncn(Cc2ccccc2F)n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000002799791 556142143 /nfs/dbraw/zinc/14/21/43/556142143.db2.gz YDCRFKCAFXVKRE-UHFFFAOYSA-N 0 0 432.242 4.680 50 0 IJAARN Cc1nn(Cc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)c(C)c1Br ZINC000002805573 556143632 /nfs/dbraw/zinc/14/36/32/556143632.db2.gz RUZXIIWZSJGZFE-UHFFFAOYSA-N 0 0 433.313 4.569 50 0 IJAARN CCOCCCN1C(=S)N=NC1c1ccc(COc2ccc(Br)cc2)o1 ZINC000002791952 556144421 /nfs/dbraw/zinc/14/44/21/556144421.db2.gz FGORXKRBRZOCGX-UHFFFAOYSA-N 0 0 438.347 4.595 50 0 IJAARN COc1cc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)ccc1OC(F)F ZINC000002793115 556144747 /nfs/dbraw/zinc/14/47/47/556144747.db2.gz ZQWAFFABGJWVDU-UHFFFAOYSA-N 0 0 425.334 4.999 50 0 IJAARN CCc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(CC)cc2)cc1 ZINC000002938504 556150098 /nfs/dbraw/zinc/15/00/98/556150098.db2.gz KGDLAHDGKJMAQR-VWLOTQADSA-N 0 0 443.543 4.579 50 0 IJAARN Cc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008385330 556161501 /nfs/dbraw/zinc/16/15/01/556161501.db2.gz DPLPPLZBRXZILW-INIZCTEOSA-N 0 0 433.982 4.693 50 0 IJAARN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000008400548 556166261 /nfs/dbraw/zinc/16/62/61/556166261.db2.gz BGITXOZEVRZQHQ-FYJGNVAPSA-N 0 0 432.501 4.832 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008431030 556170871 /nfs/dbraw/zinc/17/08/71/556170871.db2.gz QCQNPDQDQHXYRA-UHFFFAOYSA-N 0 0 429.259 4.991 50 0 IJAARN CCCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1NC(=O)c1ccccc1OCC ZINC000008432206 556171480 /nfs/dbraw/zinc/17/14/80/556171480.db2.gz LBBKYQJCESTVRY-DEOSSOPVSA-N 0 0 445.519 4.786 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCC(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000008432846 556172093 /nfs/dbraw/zinc/17/20/93/556172093.db2.gz CEVXNXJGTYHRCT-ZCIIYCOQSA-N 0 0 435.351 4.522 50 0 IJAARN COc1cccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)c1 ZINC000008451290 556181851 /nfs/dbraw/zinc/18/18/51/556181851.db2.gz UKNOOQNCDAAQHD-LICLKQGHSA-N 0 0 433.327 4.872 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000008453379 556184436 /nfs/dbraw/zinc/18/44/36/556184436.db2.gz GKJWYULRCHAYTN-MNOVXSKESA-N 0 0 443.135 4.671 50 0 IJAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1 ZINC000008594817 556189858 /nfs/dbraw/zinc/18/98/58/556189858.db2.gz VHTMUPVJMXSUKF-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000003071471 556198855 /nfs/dbraw/zinc/19/88/55/556198855.db2.gz CBXWXFDVFXUFCG-UHFFFAOYSA-N 0 0 430.529 4.982 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccccc1C(F)(F)F ZINC000008748642 556210373 /nfs/dbraw/zinc/21/03/73/556210373.db2.gz FOIUKCZAVWELJE-HNNXBMFYSA-N 0 0 447.434 4.538 50 0 IJAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1nc(-c2ccccc2)cs1 ZINC000008768631 556213017 /nfs/dbraw/zinc/21/30/17/556213017.db2.gz KGFKWLMVPNFLCH-UHFFFAOYSA-N 0 0 427.485 4.588 50 0 IJAARN O=C(c1ccc(F)cc1)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008994448 556239368 /nfs/dbraw/zinc/23/93/68/556239368.db2.gz GCEBOPBFGSEWKU-LJQANCHMSA-N 0 0 447.915 4.569 50 0 IJAARN COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000009010382 556240537 /nfs/dbraw/zinc/24/05/37/556240537.db2.gz UAPPZNGGELHREB-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000009058937 556243608 /nfs/dbraw/zinc/24/36/08/556243608.db2.gz ZMBKHYMCVPTPQV-UHFFFAOYSA-N 0 0 429.973 4.519 50 0 IJAARN FC(F)(F)c1nc2ccccc2n1Cc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 ZINC000009191617 556254145 /nfs/dbraw/zinc/25/41/45/556254145.db2.gz MEJZPPWTCATXQR-UHFFFAOYSA-N 0 0 448.861 4.706 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc32)cc1C ZINC000009209629 556257691 /nfs/dbraw/zinc/25/76/91/556257691.db2.gz LFLIVNJSAFNNFJ-UHFFFAOYSA-N 0 0 446.507 4.745 50 0 IJAARN COc1ccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)cc1OC ZINC000009216158 556257984 /nfs/dbraw/zinc/25/79/84/556257984.db2.gz QCUAJSHLLSDXPR-UHFFFAOYSA-N 0 0 432.451 4.614 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccccc3F)c2c1 ZINC000009225198 556259267 /nfs/dbraw/zinc/25/92/67/556259267.db2.gz UDUIFEFYGSQMHM-UHFFFAOYSA-N 0 0 445.494 4.708 50 0 IJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3cccc(F)c3)C2=O)N1c1ccc(F)c(F)c1 ZINC000009225759 556259821 /nfs/dbraw/zinc/25/98/21/556259821.db2.gz FLCXWTPAMLOILW-HSZRJFAPSA-N 0 0 440.446 4.584 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000009231892 556261116 /nfs/dbraw/zinc/26/11/16/556261116.db2.gz CGBCCMGYOQQZPW-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239299 556265832 /nfs/dbraw/zinc/26/58/32/556265832.db2.gz FURFTSOHTLCKDX-MSOLQXFVSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239577 556266107 /nfs/dbraw/zinc/26/61/07/556266107.db2.gz DANFXJWKBGTTAZ-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000009259547 556267786 /nfs/dbraw/zinc/26/77/86/556267786.db2.gz DDOWDCVRCUIZQN-VIZOYTHASA-N 0 0 441.698 4.757 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(OC)c2)cc1 ZINC000009288283 556272892 /nfs/dbraw/zinc/27/28/92/556272892.db2.gz YTLPGVJYAQJOAK-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289567 556273751 /nfs/dbraw/zinc/27/37/51/556273751.db2.gz SASKSPJNJHXPKR-QHCPKHFHSA-N 0 0 426.476 4.678 50 0 IJAARN CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000009296124 556275480 /nfs/dbraw/zinc/27/54/80/556275480.db2.gz CFWHJRWVODZVCL-WQRHYEAKSA-N 0 0 448.947 4.877 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccco2)cc1 ZINC000009307919 556277524 /nfs/dbraw/zinc/27/75/24/556277524.db2.gz TWLFIKHUNDVPIZ-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2Cc2ccco2)cc1 ZINC000009308300 556277853 /nfs/dbraw/zinc/27/78/53/556277853.db2.gz JQEIJXRAKPWYEP-UHFFFAOYSA-N 0 0 440.475 4.904 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000013689916 556279356 /nfs/dbraw/zinc/27/93/56/556279356.db2.gz KWTFSDOGIMPXRZ-VWLOTQADSA-N 0 0 443.547 4.556 50 0 IJAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009321008 556280814 /nfs/dbraw/zinc/28/08/14/556280814.db2.gz AENBSGPUZHSQQH-UHFFFAOYSA-N 0 0 436.471 4.594 50 0 IJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000009328244 556282344 /nfs/dbraw/zinc/28/23/44/556282344.db2.gz VUVDOICIFLLTDF-CYBMUJFWSA-N 0 0 446.935 4.557 50 0 IJAARN CC1(C)Cc2nc3oc4c(ncn(Cc5c(Cl)cccc5Cl)c4=O)c3cc2CO1 ZINC000009383678 556287545 /nfs/dbraw/zinc/28/75/45/556287545.db2.gz JNVWIYLKHRMCHY-UHFFFAOYSA-N 0 0 430.291 4.744 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3F)s2)n1 ZINC000009431806 556291180 /nfs/dbraw/zinc/29/11/80/556291180.db2.gz JCLYSLAZMDMTQC-UHFFFAOYSA-N 0 0 441.966 4.777 50 0 IJAARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 ZINC000009435659 556291574 /nfs/dbraw/zinc/29/15/74/556291574.db2.gz WCPXDXZNZDZBFN-PKOBYXMFSA-N 0 0 448.420 4.621 50 0 IJAARN COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013724538 556292169 /nfs/dbraw/zinc/29/21/69/556292169.db2.gz URGPYAPIWDPUNX-CQSZACIVSA-N 0 0 437.275 4.616 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2Cc2ccco2)c1 ZINC000009478256 556293634 /nfs/dbraw/zinc/29/36/34/556293634.db2.gz LPWIQHNBMSFFFK-UHFFFAOYSA-N 0 0 440.475 4.904 50 0 IJAARN O=C(CSCC(=O)N1c2ccccc2CCc2ccccc21)N1CCc2ccccc21 ZINC000009489152 556294803 /nfs/dbraw/zinc/29/48/03/556294803.db2.gz HLADDNRZGCHBAL-UHFFFAOYSA-N 0 0 428.557 4.772 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@H]4C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559812 556298260 /nfs/dbraw/zinc/29/82/60/556298260.db2.gz GYNIGXQVEMIMCO-WTANOLMUSA-N 0 0 441.524 4.607 50 0 IJAARN CCN(Cc1ccc(Br)s1)C(=O)c1ccc(OC)c(Br)c1 ZINC000032739515 556300020 /nfs/dbraw/zinc/30/00/20/556300020.db2.gz GGYSTAIJOGUIQF-UHFFFAOYSA-N 0 0 433.165 4.944 50 0 IJAARN COc1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)ccc1OC(C)C ZINC000032740897 556302096 /nfs/dbraw/zinc/30/20/96/556302096.db2.gz IGYDOXHDEQNTAM-QGZVFWFLSA-N 0 0 439.581 4.611 50 0 IJAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br ZINC000013764025 556302116 /nfs/dbraw/zinc/30/21/16/556302116.db2.gz SOFWYBQXWOOMTK-RCCKNPSSSA-N 0 0 435.321 4.536 50 0 IJAARN CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000009614355 556303560 /nfs/dbraw/zinc/30/35/60/556303560.db2.gz ZNMSKFMUKMLPJI-UHFFFAOYSA-N 0 0 444.553 4.843 50 0 IJAARN COc1ccc([C@@H](NC(=O)Cc2cc(OC)c(OC)cc2Br)C(C)C)cc1 ZINC000032744678 556304583 /nfs/dbraw/zinc/30/45/83/556304583.db2.gz TVGZLTJZRVSTDB-NRFANRHFSA-N 0 0 436.346 4.531 50 0 IJAARN O=C(CCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000013770221 556304649 /nfs/dbraw/zinc/30/46/49/556304649.db2.gz PJQIVEMOUQUOSK-UHFFFAOYSA-N 0 0 440.613 4.786 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000013770353 556304968 /nfs/dbraw/zinc/30/49/68/556304968.db2.gz JXJRNLZSYILYNO-YJYMSZOUSA-N 0 0 430.287 4.824 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1 ZINC000009673009 556305575 /nfs/dbraw/zinc/30/55/75/556305575.db2.gz HQSJVGJRCBRXGV-HXUWFJFHSA-N 0 0 437.613 4.524 50 0 IJAARN O=C1Nc2ccccc2C(=O)C1C(c1cccc(Cl)c1)C1C(=O)Nc2ccccc2C1=O ZINC000009698235 556306605 /nfs/dbraw/zinc/30/66/05/556306605.db2.gz MBLSRXCRCJWXOC-UHFFFAOYSA-N 0 0 444.874 4.614 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000013799368 556309699 /nfs/dbraw/zinc/30/96/99/556309699.db2.gz LVQLHUNXBWLWKM-HSZRJFAPSA-N 0 0 435.568 4.532 50 0 IJAARN CCCCNc1nc2c(S(=O)(=O)c3ccc(CC)cc3)nnn2c2ccc(Cl)cc21 ZINC000009830001 556309951 /nfs/dbraw/zinc/30/99/51/556309951.db2.gz PHRAPLATIUYIPU-UHFFFAOYSA-N 0 0 443.960 4.538 50 0 IJAARN COc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)cc1OC ZINC000013803694 556310896 /nfs/dbraw/zinc/31/08/96/556310896.db2.gz GOHXIAKZXGTBNN-UHFFFAOYSA-N 0 0 427.526 4.537 50 0 IJAARN CCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 ZINC000013810056 556311607 /nfs/dbraw/zinc/31/16/07/556311607.db2.gz DWEZGLCCKZKEIN-WOJGMQOQSA-N 0 0 446.359 4.851 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000009892187 556315210 /nfs/dbraw/zinc/31/52/10/556315210.db2.gz FUSNOYGWDFHVOD-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(OC)c4)cc3)nc2c1 ZINC000009892032 556315414 /nfs/dbraw/zinc/31/54/14/556315414.db2.gz FSROYRJXNGJQEG-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN CCc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc32)cc1 ZINC000009908869 556316383 /nfs/dbraw/zinc/31/63/83/556316383.db2.gz FWHSBWYQKVGUNF-UHFFFAOYSA-N 0 0 443.532 4.725 50 0 IJAARN Cc1sc2nc(C)nc(N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)c2c1C ZINC000032760715 556321393 /nfs/dbraw/zinc/32/13/93/556321393.db2.gz ATKVQKDMBYCYSB-UHFFFAOYSA-N 0 0 435.380 4.886 50 0 IJAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(COc2ccc(F)cc2)n1 ZINC000032753482 556322799 /nfs/dbraw/zinc/32/27/99/556322799.db2.gz RSJRNDRMZAXHOE-UHFFFAOYSA-N 0 0 435.860 4.643 50 0 IJAARN Cc1nnc2sc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nn12 ZINC000010078265 556325034 /nfs/dbraw/zinc/32/50/34/556325034.db2.gz BFUGZXMKBDXPQQ-UHFFFAOYSA-N 0 0 427.917 4.611 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1cccnc1 ZINC000010231066 556327968 /nfs/dbraw/zinc/32/79/68/556327968.db2.gz MBEUPNHRKOPFSD-CQSZACIVSA-N 0 0 438.582 4.725 50 0 IJAARN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccc2ccccc2c1 ZINC000013895481 556328886 /nfs/dbraw/zinc/32/88/86/556328886.db2.gz PEKUZEVCVHJIKP-UHFFFAOYSA-N 0 0 441.936 4.729 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)cc3)cc2)cc1 ZINC000013936359 556336290 /nfs/dbraw/zinc/33/62/90/556336290.db2.gz ZAPAKRLHLPWSNO-UHFFFAOYSA-N 0 0 427.551 4.613 50 0 IJAARN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000013936372 556336359 /nfs/dbraw/zinc/33/63/59/556336359.db2.gz HQDTXQDJMWHIEV-UHFFFAOYSA-N 0 0 441.578 4.867 50 0 IJAARN CC(C)CNC(=S)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000013937407 556336983 /nfs/dbraw/zinc/33/69/83/556336983.db2.gz GGOFVILOWNSGOC-UHFFFAOYSA-N 0 0 432.398 4.737 50 0 IJAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)cc1 ZINC000013944475 556341575 /nfs/dbraw/zinc/34/15/75/556341575.db2.gz BRLOSIXZXLOPEJ-LJQANCHMSA-N 0 0 434.565 4.582 50 0 IJAARN O=C(CCCc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000013944477 556341734 /nfs/dbraw/zinc/34/17/34/556341734.db2.gz LHFOULJKYUVYLT-MRXNPFEDSA-N 0 0 440.956 4.673 50 0 IJAARN O[C@@H](c1ccccn1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011662626 556343858 /nfs/dbraw/zinc/34/38/58/556343858.db2.gz SIGFGBAKBXSJBR-AREMUKBSSA-N 0 0 440.547 4.590 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c(C)c1 ZINC000059893458 556344273 /nfs/dbraw/zinc/34/42/73/556344273.db2.gz CTTKSKRFCLMBMN-UHFFFAOYSA-N 0 0 441.325 4.866 50 0 IJAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc2ccccc21 ZINC000014017647 556356016 /nfs/dbraw/zinc/35/60/16/556356016.db2.gz WZMPTNQGUYFEDS-UHFFFAOYSA-N 0 0 448.522 4.799 50 0 IJAARN CCCN(CC1CC1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000011814415 556357483 /nfs/dbraw/zinc/35/74/83/556357483.db2.gz YVAJBBBKWBZXGL-NDEPHWFRSA-N 0 0 444.575 4.551 50 0 IJAARN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2ccc(Sc3nncn3C)o2)C1 ZINC000011818252 556360441 /nfs/dbraw/zinc/36/04/41/556360441.db2.gz NJZLUDNURUEYRR-OAHLLOKOSA-N 0 0 430.961 4.616 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000014076506 556362136 /nfs/dbraw/zinc/36/21/36/556362136.db2.gz OQZSNXIMPRGMKL-UHFFFAOYSA-N 0 0 433.558 4.969 50 0 IJAARN O=C(c1ccc(-c2ccccc2F)o1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000014077378 556362452 /nfs/dbraw/zinc/36/24/52/556362452.db2.gz PPPVXBQVJNTDRE-QHCPKHFHSA-N 0 0 434.467 4.506 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000014095315 556367141 /nfs/dbraw/zinc/36/71/41/556367141.db2.gz PMPHYZXNNDBNSQ-UHFFFAOYSA-N 0 0 443.297 4.587 50 0 IJAARN COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000014095587 556367601 /nfs/dbraw/zinc/36/76/01/556367601.db2.gz OOCHRIKFROCSBT-KRWDZBQOSA-N 0 0 439.339 4.794 50 0 IJAARN CC[C@H](C)NC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C ZINC000011868852 556368630 /nfs/dbraw/zinc/36/86/30/556368630.db2.gz WHZVBWOBUPBGSG-INIZCTEOSA-N 0 0 438.597 4.688 50 0 IJAARN O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000032808764 556369403 /nfs/dbraw/zinc/36/94/03/556369403.db2.gz UCSMQIIJIWHUEV-UHFFFAOYSA-N 0 0 448.529 4.870 50 0 IJAARN Cc1cc(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(C)cc1Br ZINC000014113455 556370196 /nfs/dbraw/zinc/37/01/96/556370196.db2.gz KOSYCJMGEBEXPK-UHFFFAOYSA-N 0 0 449.414 4.629 50 0 IJAARN CCN1C(=S)N[C@H](c2ccc(NC(=O)CC(C)(C)C)cc2)C(C(=O)OC(C)C)=C1C ZINC000004507613 556371213 /nfs/dbraw/zinc/37/12/13/556371213.db2.gz SWBZUJFXCQZCJV-HXUWFJFHSA-N 0 0 431.602 4.538 50 0 IJAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(COC)s2)C1 ZINC000011878815 556371343 /nfs/dbraw/zinc/37/13/43/556371343.db2.gz FIOBRSLEGPLKNW-JOCHJYFZSA-N 0 0 435.973 4.576 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(C(F)(F)F)c1 ZINC000014120479 556371901 /nfs/dbraw/zinc/37/19/01/556371901.db2.gz PTFMCHQQBVMCFV-UHFFFAOYSA-N 0 0 446.429 4.660 50 0 IJAARN O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000032573804 556373865 /nfs/dbraw/zinc/37/38/65/556373865.db2.gz CYSUJMROIZCDLR-SFHVURJKSA-N 0 0 443.569 4.734 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1)NCc1ccccc1Cl ZINC000011933770 556377393 /nfs/dbraw/zinc/37/73/93/556377393.db2.gz GATWIMRSRFTBIK-SFHVURJKSA-N 0 0 430.951 4.747 50 0 IJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CC=CC[C@H]1C(=O)N1CCCC1 ZINC000014161208 556378211 /nfs/dbraw/zinc/37/82/11/556378211.db2.gz JUQWHAAUWYYIPU-UONOGXRCSA-N 0 0 445.279 4.611 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1SC(F)F ZINC000014164594 556379061 /nfs/dbraw/zinc/37/90/61/556379061.db2.gz FTWORZAXPYMWFD-UHFFFAOYSA-N 0 0 440.537 4.818 50 0 IJAARN CSc1ccccc1OCc1cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)no1 ZINC000011937778 556379601 /nfs/dbraw/zinc/37/96/01/556379601.db2.gz YNTWWPVZERXGLW-IBGZPJMESA-N 0 0 437.565 4.998 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000011999679 556385510 /nfs/dbraw/zinc/38/55/10/556385510.db2.gz XABHDZSNHNJRHM-UHFFFAOYSA-N 0 0 442.943 4.963 50 0 IJAARN CCN(C(C)=O)[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccc(F)c(F)c1 ZINC000014187976 556386662 /nfs/dbraw/zinc/38/66/62/556386662.db2.gz DXKWUSOWZYCSCY-GOSISDBHSA-N 0 0 425.273 4.584 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000014196902 556388498 /nfs/dbraw/zinc/38/84/98/556388498.db2.gz ACGHRAZJEJWAMC-UHFFFAOYSA-N 0 0 440.487 4.643 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)Cn1nc(Nc2ccccc2F)sc1=S ZINC000014197116 556388747 /nfs/dbraw/zinc/38/87/47/556388747.db2.gz FFCUTHMJBHMLPH-UHFFFAOYSA-N 0 0 440.573 4.891 50 0 IJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4cc5ccccc5oc4=O)C3)ccc2c1 ZINC000012030799 556388937 /nfs/dbraw/zinc/38/89/37/556388937.db2.gz VSNQEMUHWQNZBQ-NRFANRHFSA-N 0 0 441.483 4.690 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000014200491 556391171 /nfs/dbraw/zinc/39/11/71/556391171.db2.gz SZGVXLVVBYHHAM-UHFFFAOYSA-N 0 0 430.548 4.763 50 0 IJAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000014228035 556395662 /nfs/dbraw/zinc/39/56/62/556395662.db2.gz DFBADUAVWAYBBH-KRWDZBQOSA-N 0 0 430.504 4.567 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073880 556396702 /nfs/dbraw/zinc/39/67/02/556396702.db2.gz QVJSOVJELVVJAJ-QHCPKHFHSA-N 0 0 446.547 4.851 50 0 IJAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000014238387 556400241 /nfs/dbraw/zinc/40/02/41/556400241.db2.gz FSUBNWJVMYDHSU-GAJHUEQPSA-N 0 0 427.591 4.790 50 0 IJAARN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012090895 556402396 /nfs/dbraw/zinc/40/23/96/556402396.db2.gz YRZJKIAFMWDJBD-HXUWFJFHSA-N 0 0 429.841 4.955 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)N(Cc3ccco3)Cc3ccccc3)n[nH]2)cc1 ZINC000014241914 556402411 /nfs/dbraw/zinc/40/24/11/556402411.db2.gz RTAZXHLWRIMRDC-UHFFFAOYSA-N 0 0 432.549 4.948 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c(F)c1 ZINC000032581145 556404717 /nfs/dbraw/zinc/40/47/17/556404717.db2.gz KRZGEXIGQRPDTN-HSZRJFAPSA-N 0 0 442.494 4.643 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000012571393 556408623 /nfs/dbraw/zinc/40/86/23/556408623.db2.gz OYSSNUWMMYLNMS-LJQANCHMSA-N 0 0 441.453 4.685 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1 ZINC000032622810 556410224 /nfs/dbraw/zinc/41/02/24/556410224.db2.gz NIEXGJZEZPDUFQ-QFIPXVFZSA-N 0 0 439.943 4.961 50 0 IJAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032623000 556410490 /nfs/dbraw/zinc/41/04/90/556410490.db2.gz KTDDOFJRHMNGBH-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1)c1nnc(Nc2ccccc2)s1 ZINC000032624712 556411502 /nfs/dbraw/zinc/41/15/02/556411502.db2.gz NYOYVDANIBJAAE-GOSISDBHSA-N 0 0 446.469 4.976 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000014387648 556415414 /nfs/dbraw/zinc/41/54/14/556415414.db2.gz ZUBMRYFXAHOAEU-UHFFFAOYSA-N 0 0 437.337 4.644 50 0 IJAARN CCOC(=O)Cc1nnc(SCC(=O)c2ccc(C(C)C)cc2)n1Cc1ccccc1 ZINC000032829325 556416171 /nfs/dbraw/zinc/41/61/71/556416171.db2.gz GQPNIDVZGXWUIG-UHFFFAOYSA-N 0 0 437.565 4.530 50 0 IJAARN O=c1c2c(-c3cccs3)csc2nc(CN2CCCCC2)n1C[C@@H]1CCCCO1 ZINC000032829944 556416765 /nfs/dbraw/zinc/41/67/65/556416765.db2.gz URPLWSPSJGCWAQ-INIZCTEOSA-N 0 0 429.611 4.742 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000012943410 556417280 /nfs/dbraw/zinc/41/72/80/556417280.db2.gz XEJFXAGGUSLKLE-LZGZYFLISA-N 0 0 445.401 4.903 50 0 IJAARN O=C(Oc1ccc(Cl)c2cccnc12)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000032666044 556417323 /nfs/dbraw/zinc/41/73/23/556417323.db2.gz TXIVJQXAVXHGPZ-UHFFFAOYSA-N 0 0 441.874 4.866 50 0 IJAARN COc1cc(Cl)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000012970234 556418847 /nfs/dbraw/zinc/41/88/47/556418847.db2.gz NWRUCVNSLMNHLD-UHFFFAOYSA-N 0 0 430.231 4.830 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c(I)c1 ZINC000012976950 556422209 /nfs/dbraw/zinc/42/22/09/556422209.db2.gz AWYOWIDSVRVSPV-LJQANCHMSA-N 0 0 446.288 4.502 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1c(C)cccc1C)CC2 ZINC000012980568 556424285 /nfs/dbraw/zinc/42/42/85/556424285.db2.gz ODBQNPHHTUECFY-HHHXNRCGSA-N 0 0 430.548 4.907 50 0 IJAARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000012981454 556424451 /nfs/dbraw/zinc/42/44/51/556424451.db2.gz QMXFQFSIPXFLBL-IBGZPJMESA-N 0 0 445.357 4.694 50 0 IJAARN Cc1ccc(CN(C)C(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000012986567 556427155 /nfs/dbraw/zinc/42/71/55/556427155.db2.gz SZQWAYISXXBTFI-UHFFFAOYSA-N 0 0 431.561 4.791 50 0 IJAARN CCc1ccccc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000012986916 556427293 /nfs/dbraw/zinc/42/72/93/556427293.db2.gz TYCNMFKFBJWPCO-HHHXNRCGSA-N 0 0 430.548 4.852 50 0 IJAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000032848089 556430636 /nfs/dbraw/zinc/43/06/36/556430636.db2.gz XOKPOXBYOZKYKS-VWLOTQADSA-N 0 0 446.528 4.628 50 0 IJAARN O=C(CSc1nnc(C2CCCCC2)o1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032848725 556430823 /nfs/dbraw/zinc/43/08/23/556430823.db2.gz DFEKIIIZDQLRFQ-UHFFFAOYSA-N 0 0 443.569 4.566 50 0 IJAARN C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(Cl)cc1Cl ZINC000012996377 556431322 /nfs/dbraw/zinc/43/13/22/556431322.db2.gz HNWLPAAWMZPJBM-JTQLQIEISA-N 0 0 436.364 4.590 50 0 IJAARN CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000027824908 556433566 /nfs/dbraw/zinc/43/35/66/556433566.db2.gz GKNUMUNSQFFMJD-UHFFFAOYSA-N 0 0 442.718 4.817 50 0 IJAARN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCO[C@H](c2ccccc2)C1 ZINC000027914569 556435191 /nfs/dbraw/zinc/43/51/91/556435191.db2.gz FHXXBITYJHIXBG-SFHVURJKSA-N 0 0 435.833 4.758 50 0 IJAARN COc1ccccc1-n1nnnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000014728985 556436400 /nfs/dbraw/zinc/43/64/00/556436400.db2.gz VNHMQVCRASAARD-NSHDSACASA-N 0 0 448.430 4.593 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000013018136 556438951 /nfs/dbraw/zinc/43/89/51/556438951.db2.gz SEHOVTTUQFZOLL-DNQXCXABSA-N 0 0 429.520 4.772 50 0 IJAARN Cc1cccc(-n2c(COc3ccccc3)nnc2SCC(=O)NC2CCCCC2)c1 ZINC000028047343 556442480 /nfs/dbraw/zinc/44/24/80/556442480.db2.gz ZHFCBXKKDUMBBX-UHFFFAOYSA-N 0 0 436.581 4.696 50 0 IJAARN Cc1nc2ccccc2nc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000028191285 556444995 /nfs/dbraw/zinc/44/49/95/556444995.db2.gz HBZZALFGOJETAK-FQEVSTJZSA-N 0 0 435.549 4.555 50 0 IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000028287386 556448022 /nfs/dbraw/zinc/44/80/22/556448022.db2.gz QZWUCCFQPGKLHK-NRFANRHFSA-N 0 0 426.944 4.815 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 ZINC000028289174 556449126 /nfs/dbraw/zinc/44/91/26/556449126.db2.gz JLIJNZVQLMCIQS-NRFANRHFSA-N 0 0 438.955 4.966 50 0 IJAARN CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000013061138 556450403 /nfs/dbraw/zinc/45/04/03/556450403.db2.gz DATVPMCPZMIQJL-MHECFPHRSA-N 0 0 436.552 4.671 50 0 IJAARN C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013068275 556452291 /nfs/dbraw/zinc/45/22/91/556452291.db2.gz WILNQMCJTNKDAX-JTQLQIEISA-N 0 0 445.472 4.882 50 0 IJAARN Cc1cccc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000014886298 556455560 /nfs/dbraw/zinc/45/55/60/556455560.db2.gz PUXIAPHZRSENCI-NRFANRHFSA-N 0 0 439.515 4.887 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1nc2ccccc2n1C(F)F ZINC000014902530 556456913 /nfs/dbraw/zinc/45/69/13/556456913.db2.gz UTVLWXKGQFOLBP-ZDUSSCGKSA-N 0 0 430.480 4.641 50 0 IJAARN C[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000028607542 556457074 /nfs/dbraw/zinc/45/70/74/556457074.db2.gz ZQYJCITZCJLYIP-CQSZACIVSA-N 0 0 437.546 4.907 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000014940147 556459172 /nfs/dbraw/zinc/45/91/72/556459172.db2.gz HDWXMXYSVIURQX-UHFFFAOYSA-N 0 0 425.813 4.965 50 0 IJAARN O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc(-c2cccs2)nc2ccccc21 ZINC000013101012 556460476 /nfs/dbraw/zinc/46/04/76/556460476.db2.gz SVIBCTSQZVLUBG-UHFFFAOYSA-N 0 0 429.501 4.853 50 0 IJAARN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000013100857 556460518 /nfs/dbraw/zinc/46/05/18/556460518.db2.gz NHEIERBUIFOXSD-KRWDZBQOSA-N 0 0 425.941 4.954 50 0 IJAARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1=O ZINC000013102694 556461345 /nfs/dbraw/zinc/46/13/45/556461345.db2.gz VSOCSYIMHLNWBV-LBPRGKRZSA-N 0 0 426.822 4.667 50 0 IJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)s1 ZINC000013109047 556462643 /nfs/dbraw/zinc/46/26/43/556462643.db2.gz IRKBCRXBDKOBSY-UHFFFAOYSA-N 0 0 439.562 4.786 50 0 IJAARN CCN(CC(=O)Nc1ccc(OC)cc1)c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000013110160 556464250 /nfs/dbraw/zinc/46/42/50/556464250.db2.gz ZQOTVOIQGXHABU-UHFFFAOYSA-N 0 0 436.512 4.971 50 0 IJAARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013112491 556464828 /nfs/dbraw/zinc/46/48/28/556464828.db2.gz LLZPJPNRLOJOSC-MRXNPFEDSA-N 0 0 433.961 4.708 50 0 IJAARN CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000013112570 556465181 /nfs/dbraw/zinc/46/51/81/556465181.db2.gz AGRLYYAHXDTPQH-UHFFFAOYSA-N 0 0 425.831 4.717 50 0 IJAARN Cc1nc(C2(NC(=O)c3cc(Br)c(Br)s3)CCCCC2)no1 ZINC000029058459 556466318 /nfs/dbraw/zinc/46/63/18/556466318.db2.gz ZRDFSRLWGGOBIT-UHFFFAOYSA-N 0 0 449.168 4.554 50 0 IJAARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCCc1ccccn1 ZINC000029122749 556467822 /nfs/dbraw/zinc/46/78/22/556467822.db2.gz PFCZKJKEVDSHSO-UHFFFAOYSA-N 0 0 446.576 4.900 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000013115497 556467876 /nfs/dbraw/zinc/46/78/76/556467876.db2.gz HXBYXVQKWMOCFB-UHFFFAOYSA-N 0 0 435.524 4.808 50 0 IJAARN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 ZINC000013115643 556468203 /nfs/dbraw/zinc/46/82/03/556468203.db2.gz JLSZHOAUCUWGIF-UHFFFAOYSA-N 0 0 431.927 4.581 50 0 IJAARN CN(Cc1nccn1C(F)F)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000029183444 556469618 /nfs/dbraw/zinc/46/96/18/556469618.db2.gz ZSPRHQYTARICKF-UHFFFAOYSA-N 0 0 448.267 4.544 50 0 IJAARN Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000014980627 556470547 /nfs/dbraw/zinc/47/05/47/556470547.db2.gz BISQGTOCBWDVHM-STIKNRRDSA-N 0 0 433.021 4.546 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013117847 556470772 /nfs/dbraw/zinc/47/07/72/556470772.db2.gz NZJXLEMLIWNYLD-QGZVFWFLSA-N 0 0 431.533 4.584 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnc(-c3ccccc3)o2)C1=O ZINC000013117919 556471080 /nfs/dbraw/zinc/47/10/80/556471080.db2.gz XONMLAOGLIQALL-KRWDZBQOSA-N 0 0 427.913 4.704 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@H]3CCCc4ccccc43)nc2n1 ZINC000013119652 556471712 /nfs/dbraw/zinc/47/17/12/556471712.db2.gz USPYHHJQSNLUHN-QFIPXVFZSA-N 0 0 443.576 4.841 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N1CCCc2ccccc21 ZINC000013131148 556480151 /nfs/dbraw/zinc/48/01/51/556480151.db2.gz JHKGHHQPMKGTKV-UHFFFAOYSA-N 0 0 428.847 4.579 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000029706154 556480245 /nfs/dbraw/zinc/48/02/45/556480245.db2.gz VMWCNFFXAOLQHM-UHFFFAOYSA-N 0 0 444.922 4.634 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(-n3ccnc3)c1)CC2 ZINC000072287245 556480450 /nfs/dbraw/zinc/48/04/50/556480450.db2.gz JWTMERIPPDKNCJ-XMMPIXPASA-N 0 0 445.544 4.739 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000029839672 556483854 /nfs/dbraw/zinc/48/38/54/556483854.db2.gz ATVWZHZMMVCBJE-FYYLOGMGSA-N 0 0 430.573 4.775 50 0 IJAARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SC[C@@H]2CCCCO2)CCCC4)c1 ZINC000013138184 556485062 /nfs/dbraw/zinc/48/50/62/556485062.db2.gz YTMGPDCVSOUUGI-KRWDZBQOSA-N 0 0 442.606 4.996 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NC1CCCCC1 ZINC000013141078 556486359 /nfs/dbraw/zinc/48/63/59/556486359.db2.gz OHFWNUXXABGZKR-UHFFFAOYSA-N 0 0 438.572 4.868 50 0 IJAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000013141217 556486612 /nfs/dbraw/zinc/48/66/12/556486612.db2.gz LTGQAXACPDXMFV-XMMPIXPASA-N 0 0 449.894 4.538 50 0 IJAARN COc1ccc(N(Cc2cc(-c3ccco3)on2)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000013150435 556492236 /nfs/dbraw/zinc/49/22/36/556492236.db2.gz YKWVWARQIPJMGA-UHFFFAOYSA-N 0 0 438.505 4.956 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000011065302 556494015 /nfs/dbraw/zinc/49/40/15/556494015.db2.gz IMJFMAGYERVQJV-UHFFFAOYSA-N 0 0 433.917 4.907 50 0 IJAARN Clc1cc(CSc2n[nH]c(-c3ccccc3Br)n2)cc2c1OCCO2 ZINC000013164933 556497769 /nfs/dbraw/zinc/49/77/69/556497769.db2.gz KUDMRQDZWFCCRF-UHFFFAOYSA-N 0 0 438.734 4.951 50 0 IJAARN COc1ccc(C(=O)[C@H]2CCCN(Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077509 556499537 /nfs/dbraw/zinc/49/95/37/556499537.db2.gz CEVXFPXCJJVYRI-FQEVSTJZSA-N 0 0 431.536 4.564 50 0 IJAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(-c4ccccc4C)nc3)C2)c(OC)c1 ZINC000015077507 556499544 /nfs/dbraw/zinc/49/95/44/556499544.db2.gz CEVXFPXCJJVYRI-HXUWFJFHSA-N 0 0 431.536 4.564 50 0 IJAARN Cc1cc(C)c(C)c(C(=O)C[C@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c1C ZINC000004554469 556503194 /nfs/dbraw/zinc/50/31/94/556503194.db2.gz CWRVRZIUWUWLEL-NDEPHWFRSA-N 0 0 427.544 4.970 50 0 IJAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022937419 556506184 /nfs/dbraw/zinc/50/61/84/556506184.db2.gz NZALYTSLTXWZRB-DEOSSOPVSA-N 0 0 428.511 4.783 50 0 IJAARN Cc1cc(OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000030822680 556506809 /nfs/dbraw/zinc/50/68/09/556506809.db2.gz KOGUCOVWPCZPDZ-UHFFFAOYSA-N 0 0 449.503 4.672 50 0 IJAARN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032880013 556507856 /nfs/dbraw/zinc/50/78/56/556507856.db2.gz YSAQSNFJKJPBKF-UHFFFAOYSA-N 0 0 447.915 4.851 50 0 IJAARN CC(C)Cn1c(SCC(=O)N(C)Cc2ccsc2)nc2ccc(Cl)cc2c1=O ZINC000011071583 556514362 /nfs/dbraw/zinc/51/43/62/556514362.db2.gz RYMHSNYAQXAXQX-UHFFFAOYSA-N 0 0 436.002 4.518 50 0 IJAARN COc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)cc(OC)c1Br ZINC000030917765 556515291 /nfs/dbraw/zinc/51/52/91/556515291.db2.gz WWJGYTWJUJPUIB-UHFFFAOYSA-N 0 0 448.235 4.637 50 0 IJAARN CC(C)C(=O)N1CCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 ZINC000032892852 556520345 /nfs/dbraw/zinc/52/03/45/556520345.db2.gz PSQLAZWKJZSSLJ-UHFFFAOYSA-N 0 0 440.540 4.560 50 0 IJAARN CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000003100932 556521241 /nfs/dbraw/zinc/52/12/41/556521241.db2.gz WBEHYWOLRMMKAK-QFIPXVFZSA-N 0 0 440.565 4.532 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)nc2ncccc2c1=O ZINC000032893443 556521296 /nfs/dbraw/zinc/52/12/96/556521296.db2.gz WTGGPTDIJCJPCR-QGZVFWFLSA-N 0 0 446.576 4.570 50 0 IJAARN COc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000015412417 556525173 /nfs/dbraw/zinc/52/51/73/556525173.db2.gz YNIOJCBXGPZAGH-SANMLTNESA-N 0 0 444.531 4.948 50 0 IJAARN Cc1cc2oc(=O)c(CC(=O)Nc3ccccc3C(N)=O)c(C)c2c2occ(C(C)(C)C)c21 ZINC000013576273 556526261 /nfs/dbraw/zinc/52/62/61/556526261.db2.gz VJQUYLZDZFXEME-UHFFFAOYSA-N 0 0 446.503 4.734 50 0 IJAARN O=C(CSc1ccc(Sc2ccc(SCC(=O)NC3CC3)cc2)cc1)NC1CC1 ZINC000015413906 556526488 /nfs/dbraw/zinc/52/64/88/556526488.db2.gz HXWRBHAECABTJP-UHFFFAOYSA-N 0 0 444.647 4.579 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1sc2ccccc2c1Cl ZINC000015422671 556527105 /nfs/dbraw/zinc/52/71/05/556527105.db2.gz WLTOFRARTDVHTM-UHFFFAOYSA-N 0 0 446.937 4.879 50 0 IJAARN Cc1ccccc1COc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1 ZINC000013607643 556533601 /nfs/dbraw/zinc/53/36/01/556533601.db2.gz YNEUGJCGXNCEBK-QFIPXVFZSA-N 0 0 437.499 4.798 50 0 IJAARN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032902049 556538615 /nfs/dbraw/zinc/53/86/15/556538615.db2.gz OUIPJXWUMGURFX-CRAIPNDOSA-N 0 0 425.960 4.620 50 0 IJAARN COc1cc(CN(C)C(=O)C2(c3ccc(Br)cc3)CC2)ccc1OC(F)F ZINC000032903401 556539578 /nfs/dbraw/zinc/53/95/78/556539578.db2.gz XCNDRFUDFIEEOK-UHFFFAOYSA-N 0 0 440.284 4.749 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3Cl)c2)cc1 ZINC000015650220 556540526 /nfs/dbraw/zinc/54/05/26/556540526.db2.gz OWRQBYIXVRJRBB-UHFFFAOYSA-N 0 0 442.968 4.746 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000015659724 556541495 /nfs/dbraw/zinc/54/14/95/556541495.db2.gz HHNIFMUWHMJYHV-UHFFFAOYSA-N 0 0 449.688 4.965 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032904436 556543929 /nfs/dbraw/zinc/54/39/29/556543929.db2.gz MIVANYVWEKUMIJ-WOJBJXKFSA-N 0 0 431.565 4.526 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000032959745 556550283 /nfs/dbraw/zinc/55/02/83/556550283.db2.gz URRKYVTVPJLFGV-UHFFFAOYSA-N 0 0 432.343 4.979 50 0 IJAARN Cc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl ZINC000015777190 556550616 /nfs/dbraw/zinc/55/06/16/556550616.db2.gz RFKGTDLOTHLXMQ-HNNXBMFYSA-N 0 0 434.751 4.547 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997704 556551922 /nfs/dbraw/zinc/55/19/22/556551922.db2.gz ISPFANXESILWFY-JOCHJYFZSA-N 0 0 436.537 4.720 50 0 IJAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC([C@@H](C)C(=O)NC2CCCCCC2)CC1 ZINC000033115111 556554582 /nfs/dbraw/zinc/55/45/82/556554582.db2.gz LUWUZUJHEDTCKT-LJQANCHMSA-N 0 0 436.600 4.508 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033115418 556555552 /nfs/dbraw/zinc/55/55/52/556555552.db2.gz KHBZIOQWAVNRMK-UHFFFAOYSA-N 0 0 426.582 4.530 50 0 IJAARN Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)c2cccnc2)cc1C ZINC000015839796 556556347 /nfs/dbraw/zinc/55/63/47/556556347.db2.gz ZQUYTKGKHXZZIB-QFIPXVFZSA-N 0 0 425.326 4.746 50 0 IJAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(CCc4ccccc4)nc(SC)n3c(=O)c21 ZINC000015839511 556556361 /nfs/dbraw/zinc/55/63/61/556556361.db2.gz XUNPERLPVXJZAX-VWLOTQADSA-N 0 0 430.577 4.746 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1 ZINC000015859637 556558207 /nfs/dbraw/zinc/55/82/07/556558207.db2.gz BSLHNUGFWVGVJL-XMMPIXPASA-N 0 0 447.579 4.751 50 0 IJAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)Nc2ccccc2)cc1 ZINC000015860800 556558760 /nfs/dbraw/zinc/55/87/60/556558760.db2.gz QAWQPZCOCHMRFF-UHFFFAOYSA-N 0 0 433.533 4.855 50 0 IJAARN Cc1cc(N2CCC(C(=O)NC3CCCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274941 556559310 /nfs/dbraw/zinc/55/93/10/556559310.db2.gz PTAIALVUSIMZJP-UHFFFAOYSA-N 0 0 437.975 4.633 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1Cl ZINC000033274823 556559470 /nfs/dbraw/zinc/55/94/70/556559470.db2.gz NANTXLYDSZRVOD-UHFFFAOYSA-N 0 0 447.000 4.930 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000015869577 556560369 /nfs/dbraw/zinc/56/03/69/556560369.db2.gz HYKMFCSAWRBXHA-UHFFFAOYSA-N 0 0 448.588 4.576 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)cc1Cl ZINC000015882526 556561196 /nfs/dbraw/zinc/56/11/96/556561196.db2.gz OPSCMZAGCXYIIT-UHFFFAOYSA-N 0 0 429.958 4.812 50 0 IJAARN S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000072307739 556562325 /nfs/dbraw/zinc/56/23/25/556562325.db2.gz UFBFHBPDOMIJQQ-UHFFFAOYSA-N 0 0 449.609 4.876 50 0 IJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000033784247 556567771 /nfs/dbraw/zinc/56/77/71/556567771.db2.gz IPUKJWCADHFYRC-UHFFFAOYSA-N 0 0 437.528 4.629 50 0 IJAARN O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000015998534 556572051 /nfs/dbraw/zinc/57/20/51/556572051.db2.gz NMRPFUMXUCUKFS-UHFFFAOYSA-N 0 0 431.416 4.600 50 0 IJAARN COc1ccc2nc(N3CCC(O)(c4ccc(Br)cc4)CC3)cc(C)c2c1 ZINC000000758226 556573076 /nfs/dbraw/zinc/57/30/76/556573076.db2.gz QOQVFTFQZONBSP-UHFFFAOYSA-N 0 0 427.342 4.802 50 0 IJAARN O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 ZINC000000755004 556573116 /nfs/dbraw/zinc/57/31/16/556573116.db2.gz FBTXKABBDISDJY-FQEVSTJZSA-N 0 0 446.308 4.712 50 0 IJAARN O=C(c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000000865826 556573373 /nfs/dbraw/zinc/57/33/73/556573373.db2.gz KQMIMACSJDBGQK-MWLCHTKSSA-N 0 0 449.296 4.603 50 0 IJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2C1=O ZINC000016017002 556574809 /nfs/dbraw/zinc/57/48/09/556574809.db2.gz BFFJSXDENJSSEB-UHFFFAOYSA-N 0 0 441.487 4.642 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)Cc2nc3ccccc3n2C(F)F)s1 ZINC000032962759 556582042 /nfs/dbraw/zinc/58/20/42/556582042.db2.gz LGTRXESKKNQNFF-UHFFFAOYSA-N 0 0 447.507 4.772 50 0 IJAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000034847903 556583448 /nfs/dbraw/zinc/58/34/48/556583448.db2.gz RIBHFNBKGANMQT-UHFFFAOYSA-N 0 0 431.458 4.509 50 0 IJAARN COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(OC)cc1Cl ZINC000016115655 556584174 /nfs/dbraw/zinc/58/41/74/556584174.db2.gz PRPHQJIHHGIHDT-ULBZPVTCSA-N 0 0 445.902 4.754 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1 ZINC000032966620 556587258 /nfs/dbraw/zinc/58/72/58/556587258.db2.gz CMISFGQAJQQWPO-UHFFFAOYSA-N 0 0 429.476 4.523 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000016194105 556589263 /nfs/dbraw/zinc/58/92/63/556589263.db2.gz ZRJJXMYUBGUEBE-UHFFFAOYSA-N 0 0 435.501 4.804 50 0 IJAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)cc1OC ZINC000036248368 556595325 /nfs/dbraw/zinc/59/53/25/556595325.db2.gz PCCBYZFTOXNADG-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN CCC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302884 556596184 /nfs/dbraw/zinc/59/61/84/556596184.db2.gz PYQVLDXUFVBMIH-JOCHJYFZSA-N 0 0 437.584 4.836 50 0 IJAARN CCC[C@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036302881 556596356 /nfs/dbraw/zinc/59/63/56/556596356.db2.gz PYQVLDXUFVBMIH-QFIPXVFZSA-N 0 0 437.584 4.836 50 0 IJAARN CN1CCN(C(=S)c2cn(CCOc3cccc4ccccc43)c3ccccc23)CC1 ZINC000016294414 556598881 /nfs/dbraw/zinc/59/88/81/556598881.db2.gz KUKRNMWZITYFRQ-UHFFFAOYSA-N 0 0 429.589 4.796 50 0 IJAARN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000032983823 556602757 /nfs/dbraw/zinc/60/27/57/556602757.db2.gz GOKYZYWTIAZJRB-OIBAJTQMSA-N 0 0 441.593 4.978 50 0 IJAARN COCCNC(=O)c1csc(-c2ccccc2OCc2ccccc2C(F)(F)F)n1 ZINC000037614063 556605068 /nfs/dbraw/zinc/60/50/68/556605068.db2.gz IYTPUFDNDSHQBV-UHFFFAOYSA-N 0 0 436.455 4.784 50 0 IJAARN C[C@H]1CN(c2cc(Oc3cccc(Cl)c3)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037623618 556605219 /nfs/dbraw/zinc/60/52/19/556605219.db2.gz SCJIBTHWOGAMJV-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN O=C(Nc1sccc1C(=O)N1CCOCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000016400542 556605461 /nfs/dbraw/zinc/60/54/61/556605461.db2.gz SHXPQYVXJFDMKI-FQEVSTJZSA-N 0 0 438.574 4.693 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000016430508 556607458 /nfs/dbraw/zinc/60/74/58/556607458.db2.gz SYMPDMLANRMAFM-UHFFFAOYSA-N 0 0 439.968 4.545 50 0 IJAARN O=C(COc1ccc(Nc2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000032987971 556608779 /nfs/dbraw/zinc/60/87/79/556608779.db2.gz SKCUFBBUEUIUQQ-QHCPKHFHSA-N 0 0 430.504 4.944 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000032987983 556608784 /nfs/dbraw/zinc/60/87/84/556608784.db2.gz BEYPXABQJIZPRL-IBGZPJMESA-N 0 0 438.524 4.935 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N[C@@H](c3cccs3)C(C)C)s2)cc1 ZINC000032995141 556609971 /nfs/dbraw/zinc/60/99/71/556609971.db2.gz WDKNQCHDMCUIOH-HXUWFJFHSA-N 0 0 442.610 4.997 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1C ZINC000032996488 556611807 /nfs/dbraw/zinc/61/18/07/556611807.db2.gz PLYRRIUMJRGCFT-IBGZPJMESA-N 0 0 447.539 4.651 50 0 IJAARN CC(C)(C)OC(=O)[C@H](CC(C(F)(F)F)C(F)(F)F)NC(=O)OCc1ccccc1 ZINC000038428443 556612597 /nfs/dbraw/zinc/61/25/97/556612597.db2.gz UCDCJTVXSPRRAP-LBPRGKRZSA-N 0 0 429.357 4.754 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016506410 556613048 /nfs/dbraw/zinc/61/30/48/556613048.db2.gz UURYLAPTBGTIRO-UHFFFAOYSA-N 0 0 442.924 4.774 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000016598709 556616706 /nfs/dbraw/zinc/61/67/06/556616706.db2.gz RHPVVRFFYUFIRI-UHFFFAOYSA-N 0 0 437.565 4.894 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC(c2nc3ccccc3o2)CC1 ZINC000016684523 556625184 /nfs/dbraw/zinc/62/51/84/556625184.db2.gz ILCLNXBNOZRPHW-UHFFFAOYSA-N 0 0 428.414 4.603 50 0 IJAARN O=C(OCc1cc(-c2ccco2)on1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699193 556629219 /nfs/dbraw/zinc/62/92/19/556629219.db2.gz RMPLZEHHHUSQQE-UHFFFAOYSA-N 0 0 430.460 4.683 50 0 IJAARN O=C(Nc1nc(-c2ccccn2)cs1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699236 556629278 /nfs/dbraw/zinc/62/92/78/556629278.db2.gz XXKOXFPNIAOWFK-UHFFFAOYSA-N 0 0 442.544 4.849 50 0 IJAARN Nc1nnc(SCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)s1 ZINC000033752287 556630472 /nfs/dbraw/zinc/63/04/72/556630472.db2.gz ITBDZQWMWSJDDU-UHFFFAOYSA-N 0 0 425.564 4.642 50 0 IJAARN COc1ccc(-c2nc(CC(=O)Nc3nnc(C4CCCCC4)s3)cs2)cc1OC ZINC000016723404 556630711 /nfs/dbraw/zinc/63/07/11/556630711.db2.gz DQHQYLFXYNRNPB-UHFFFAOYSA-N 0 0 444.582 4.908 50 0 IJAARN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000061460561 556634886 /nfs/dbraw/zinc/63/48/86/556634886.db2.gz BYTFVNRSBPXBJV-UHFFFAOYSA-N 0 0 425.366 4.968 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(O)c2)N1CCc1ccccc1 ZINC000016741831 556635680 /nfs/dbraw/zinc/63/56/80/556635680.db2.gz MFZNISTVMGMYFD-QFIPXVFZSA-N 0 0 431.875 4.940 50 0 IJAARN CCOc1ccc(N2C(=O)C(=Cc3cccc(OC(F)(F)C(F)F)c3)NC2=S)cc1 ZINC000033796088 556636115 /nfs/dbraw/zinc/63/61/15/556636115.db2.gz HRHNQGZBRHEKPC-WJDWOHSUSA-N 0 0 440.418 4.996 50 0 IJAARN COc1ccc(-c2cc(OC(=O)COc3ccc(F)cc3)cc3sc(=O)oc32)cc1 ZINC000016742247 556636076 /nfs/dbraw/zinc/63/60/76/556636076.db2.gz DOFPAUASWHRXOH-UHFFFAOYSA-N 0 0 426.421 4.654 50 0 IJAARN CCCC[C@@H](CC)C(=O)N(CCC)CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1 ZINC000033789393 556636415 /nfs/dbraw/zinc/63/64/15/556636415.db2.gz GCCHWFQCIHTEQJ-QGZVFWFLSA-N 0 0 446.617 4.997 50 0 IJAARN COP(=O)(OC)c1nc(-c2ccc(Br)cc2)oc1NCc1ccccc1 ZINC000016750196 556637137 /nfs/dbraw/zinc/63/71/37/556637137.db2.gz KKCGTNKTLCPNOU-UHFFFAOYSA-N 0 0 437.230 4.827 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)coc2c1 ZINC000016752128 556637862 /nfs/dbraw/zinc/63/78/62/556637862.db2.gz AXTUGYNCIYMSCI-UHFFFAOYSA-N 0 0 434.517 4.996 50 0 IJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000016753277 556638517 /nfs/dbraw/zinc/63/85/17/556638517.db2.gz YJYDBNMPKNIQRF-ZSEKCTLFSA-N 0 0 444.318 4.813 50 0 IJAARN CC(C)NC(=O)c1cccc(Cn2ccs/c2=N\C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000037435424 556638569 /nfs/dbraw/zinc/63/85/69/556638569.db2.gz WELYKPGIHRPNQK-DAFNUICNSA-N 0 0 448.375 4.784 50 0 IJAARN CC(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037441366 556638759 /nfs/dbraw/zinc/63/87/59/556638759.db2.gz TXQITDHDZQEYRQ-LJQANCHMSA-N 0 0 437.437 4.958 50 0 IJAARN COc1ccc(NCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)cc1 ZINC000016769321 556640357 /nfs/dbraw/zinc/64/03/57/556640357.db2.gz CVZBGBGFRNDQOZ-UHFFFAOYSA-N 0 0 430.533 4.907 50 0 IJAARN COc1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccccc3Cl)s2)cc1 ZINC000016770247 556640455 /nfs/dbraw/zinc/64/04/55/556640455.db2.gz CGKIKGYZUGXBMD-LBPRGKRZSA-N 0 0 434.974 4.741 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2cc(C)c(C)cc2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000016806212 556643933 /nfs/dbraw/zinc/64/39/33/556643933.db2.gz VNXUHHITOAWOOT-QGZVFWFLSA-N 0 0 431.579 4.557 50 0 IJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(C)cc3C)c3ccccc32)ccc1C ZINC000016946522 556649869 /nfs/dbraw/zinc/64/98/69/556649869.db2.gz YOQZNCSIJACTGS-UHFFFAOYSA-N 0 0 432.549 4.874 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000016957249 556650701 /nfs/dbraw/zinc/65/07/01/556650701.db2.gz JFUDKSCELSXUAY-OAQYLSRUSA-N 0 0 449.532 4.513 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)s2)cc1 ZINC000017028416 556653596 /nfs/dbraw/zinc/65/35/96/556653596.db2.gz RWBGYCMGMBWLIJ-UHFFFAOYSA-N 0 0 449.985 4.715 50 0 IJAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCC[C@@H]4C)s3)c2C)cc1 ZINC000033000029 556654025 /nfs/dbraw/zinc/65/40/25/556654025.db2.gz WZFOUWDWUVLTDX-HNNXBMFYSA-N 0 0 438.597 4.868 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)c(OC)c1 ZINC000033004619 556654756 /nfs/dbraw/zinc/65/47/56/556654756.db2.gz TVCOGFFSPRZGKG-UHFFFAOYSA-N 0 0 442.585 4.733 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc(SCC(=O)N[C@H](C)c3ccccc3)c2=O)cc1 ZINC000033006746 556655552 /nfs/dbraw/zinc/65/55/52/556655552.db2.gz NGIZXQJJNLQRCJ-LJQANCHMSA-N 0 0 443.572 4.723 50 0 IJAARN COc1cc(NC(=O)Nc2ccc(Br)cc2)cc2sc(NC(C)=O)nc21 ZINC000033008546 556655751 /nfs/dbraw/zinc/65/57/51/556655751.db2.gz LYUNQEUOYXADEB-UHFFFAOYSA-N 0 0 435.303 4.670 50 0 IJAARN COc1cc(NC(=O)Nc2ccccc2Br)cc2sc(NC(C)=O)nc21 ZINC000033008530 556655861 /nfs/dbraw/zinc/65/58/61/556655861.db2.gz XAQWDDLNLOGBHD-UHFFFAOYSA-N 0 0 435.303 4.670 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)s1 ZINC000033011220 556659833 /nfs/dbraw/zinc/65/98/33/556659833.db2.gz QIUKPTCMCILKJB-UHFFFAOYSA-N 0 0 428.945 4.572 50 0 IJAARN O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(c2ccccc2)CC1 ZINC000017096234 556659990 /nfs/dbraw/zinc/65/99/90/556659990.db2.gz SCUTZYFQMDSMHX-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)CC2=O)cc1 ZINC000033012729 556662148 /nfs/dbraw/zinc/66/21/48/556662148.db2.gz PSZVFXQTVSCRNE-FQEVSTJZSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)CC2=O)cc1 ZINC000033012730 556662154 /nfs/dbraw/zinc/66/21/54/556662154.db2.gz PSZVFXQTVSCRNE-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1cccc(Cn2c3ccccc3nc2SCC(=O)OCC(=O)Oc2ccccc2)c1 ZINC000033014133 556664530 /nfs/dbraw/zinc/66/45/30/556664530.db2.gz HOFCNYRFGPZRKS-UHFFFAOYSA-N 0 0 446.528 4.634 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C=C2SC(=S)NC2=O)cc1OC ZINC000017101542 556666083 /nfs/dbraw/zinc/66/60/83/556666083.db2.gz FWLREJWSKPGFSX-ODLFYWEKSA-N 0 0 437.546 4.945 50 0 IJAARN O=c1c2ccc(OCc3ccccc3)cc2occ1N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000044123990 556666180 /nfs/dbraw/zinc/66/61/80/556666180.db2.gz DGNCYXDJQUIKSF-UHFFFAOYSA-N 0 0 445.490 4.999 50 0 IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCCc1ccccc1)nc2-c1ccccc1F ZINC000044854619 556671351 /nfs/dbraw/zinc/67/13/51/556671351.db2.gz NTBNUZBLIIUXIV-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN CC(=O)N1N=C(c2nc(Cl)ccc2Cl)O[C@]1(C)c1ccc(Br)cc1 ZINC000017198585 556673147 /nfs/dbraw/zinc/67/31/47/556673147.db2.gz YQHCYZFLDWEMLC-MRXNPFEDSA-N 0 0 429.101 4.564 50 0 IJAARN COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1NC(=O)c1cccc(F)c1 ZINC000032931488 556674252 /nfs/dbraw/zinc/67/42/52/556674252.db2.gz LZAYMBUSFPSQRK-UHFFFAOYSA-N 0 0 426.469 4.750 50 0 IJAARN Cc1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2Br)c(C)c1 ZINC000100798962 556675387 /nfs/dbraw/zinc/67/53/87/556675387.db2.gz FYQZNZSUDMXNJZ-IBGZPJMESA-N 0 0 436.689 4.668 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1C ZINC000010625793 556681623 /nfs/dbraw/zinc/68/16/23/556681623.db2.gz WCWCGSSGVAVODO-UHFFFAOYSA-N 0 0 445.972 4.977 50 0 IJAARN C=C(C)COc1ccccc1/C=C1/N=C(c2ccc(I)cc2)OC1=O ZINC000000651608 556682012 /nfs/dbraw/zinc/68/20/12/556682012.db2.gz QEDQIVYBAKICKW-GZTJUZNOSA-N 0 0 445.256 4.591 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 ZINC000238950845 556682150 /nfs/dbraw/zinc/68/21/50/556682150.db2.gz ZYGKAYLZIYAUON-JCNLHEQBSA-N 0 0 429.513 4.592 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3nc(-c4ccccc4)cs3)cs2)c(C)c1Cl ZINC000033019519 556682392 /nfs/dbraw/zinc/68/23/92/556682392.db2.gz NEICNNRICBXIAH-UHFFFAOYSA-N 0 0 429.958 4.904 50 0 IJAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000010628731 556682862 /nfs/dbraw/zinc/68/28/62/556682862.db2.gz HHZDIQZEXGJDBV-INIZCTEOSA-N 0 0 429.851 4.761 50 0 IJAARN COc1ccc2nc(N3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)sc2c1 ZINC000018212624 556687157 /nfs/dbraw/zinc/68/71/57/556687157.db2.gz PMRQRGFHYCLRAD-MYNGYRLFSA-N 0 0 438.508 4.702 50 0 IJAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252517094 556690569 /nfs/dbraw/zinc/69/05/69/556690569.db2.gz ZMGGWKNGKORATN-BHIYHBOVSA-N 0 0 434.330 4.507 50 0 IJAARN CCc1ccc(CNC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)cc1 ZINC000046006707 556690587 /nfs/dbraw/zinc/69/05/87/556690587.db2.gz PHOLKSCCKRZQDX-UHFFFAOYSA-N 0 0 442.563 4.857 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3nc2OC)cc1 ZINC000046006533 556690607 /nfs/dbraw/zinc/69/06/07/556690607.db2.gz HXUDSONTYFYLJA-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000046141318 556692789 /nfs/dbraw/zinc/69/27/89/556692789.db2.gz MWNLQSCFUFOFDP-LBPRGKRZSA-N 0 0 437.974 4.990 50 0 IJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000046141446 556692984 /nfs/dbraw/zinc/69/29/84/556692984.db2.gz PQQRXNYLNQHTDZ-LBPRGKRZSA-N 0 0 437.974 4.990 50 0 IJAARN O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000072314295 556696940 /nfs/dbraw/zinc/69/69/40/556696940.db2.gz NZOVWYPMWAEMJJ-NRFANRHFSA-N 0 0 426.524 4.733 50 0 IJAARN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000137812950 556698459 /nfs/dbraw/zinc/69/84/59/556698459.db2.gz WTGWVVNWSIZOJE-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1cccc2sc(NC(=O)CSc3nc(=O)c4c5c(sc4[nH]3)CCCC5)nc21 ZINC000048513871 556700257 /nfs/dbraw/zinc/70/02/57/556700257.db2.gz NXIZRTAFBPWBTC-UHFFFAOYSA-N 0 0 442.591 4.512 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033025930 556701960 /nfs/dbraw/zinc/70/19/60/556701960.db2.gz RMVNQFMMPOLDOM-UHFFFAOYSA-N 0 0 431.517 4.556 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000033025942 556701981 /nfs/dbraw/zinc/70/19/81/556701981.db2.gz UYGFHKNAPUWWIU-UHFFFAOYSA-N 0 0 445.544 4.946 50 0 IJAARN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN(C)Cc1csc(-c2cccs2)n1 ZINC000019225159 556716521 /nfs/dbraw/zinc/71/65/21/556716521.db2.gz NMWMMZVXFNLANI-UHFFFAOYSA-N 0 0 446.001 4.507 50 0 IJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)C1 ZINC000033035886 556718669 /nfs/dbraw/zinc/71/86/69/556718669.db2.gz KLUVJFQABKQGSZ-IBGZPJMESA-N 0 0 433.474 4.544 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000138934803 556720847 /nfs/dbraw/zinc/72/08/47/556720847.db2.gz AYRFJQUKJWQLHI-PCCBWWKXSA-N 0 0 449.304 4.500 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000033037355 556722739 /nfs/dbraw/zinc/72/27/39/556722739.db2.gz VWXPOKSNZILCKR-UHFFFAOYSA-N 0 0 442.494 4.875 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000033037276 556722791 /nfs/dbraw/zinc/72/27/91/556722791.db2.gz WNXQBWNPKAREJZ-UHFFFAOYSA-N 0 0 443.482 4.901 50 0 IJAARN COc1cccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 ZINC000033038146 556723982 /nfs/dbraw/zinc/72/39/82/556723982.db2.gz IIWWSYBRRVUSKH-UHFFFAOYSA-N 0 0 428.492 4.729 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4cccc(Cl)c4)cn3C)sc2c1 ZINC000061717810 556724430 /nfs/dbraw/zinc/72/44/30/556724430.db2.gz WTCKJOKAXGSMRP-UHFFFAOYSA-N 0 0 439.924 4.788 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCSCC1 ZINC000072328409 556725564 /nfs/dbraw/zinc/72/55/64/556725564.db2.gz QCEDJMMIXUAOGQ-UHFFFAOYSA-N 0 0 433.552 4.857 50 0 IJAARN CCOc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000072328492 556725873 /nfs/dbraw/zinc/72/58/73/556725873.db2.gz DOKQPQAOOPMVEO-UHFFFAOYSA-N 0 0 425.529 4.574 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(Br)cc2)cc1Cl ZINC000072329330 556726668 /nfs/dbraw/zinc/72/66/68/556726668.db2.gz XTVWHNYGKAYLND-UHFFFAOYSA-N 0 0 434.721 4.821 50 0 IJAARN COc1ccc(-n2ccnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)c2=O)cc1Cl ZINC000033039816 556731574 /nfs/dbraw/zinc/73/15/74/556731574.db2.gz ONOKFBDPXSUZGW-OAHLLOKOSA-N 0 0 428.941 4.875 50 0 IJAARN COc1cccc(N2CCN(Cc3nc(C4(c5ccc(C)cc5)CCCC4)no3)CC2)c1 ZINC000055134123 556735554 /nfs/dbraw/zinc/73/55/54/556735554.db2.gz YUSBRPOCYZESLK-UHFFFAOYSA-N 0 0 432.568 4.569 50 0 IJAARN CN1CCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)C[C@H](C(C)(C)C)CC3)CC1 ZINC000055480090 556741589 /nfs/dbraw/zinc/74/15/89/556741589.db2.gz UDQVONKYWXYONM-GOSISDBHSA-N 0 0 439.625 4.539 50 0 IJAARN COc1ccc(Br)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055542865 556741912 /nfs/dbraw/zinc/74/19/12/556741912.db2.gz CKQDIWPBQRFNTP-UHFFFAOYSA-N 0 0 429.280 4.799 50 0 IJAARN C[C@H](NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000033048977 556745783 /nfs/dbraw/zinc/74/57/83/556745783.db2.gz BZMHHBVIBGGWFE-HNNXBMFYSA-N 0 0 435.886 4.733 50 0 IJAARN C[C@@]12Oc3ccccc3[C@@H](NC(=O)N1Cc1ccccc1)[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000072333175 556749643 /nfs/dbraw/zinc/74/96/43/556749643.db2.gz GAZWBIDUWRLVTQ-FBLLAGFSSA-N 0 0 447.922 4.970 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000002478960 556761439 /nfs/dbraw/zinc/76/14/39/556761439.db2.gz VHTSPGSRKUHMAQ-QFIPXVFZSA-N 0 0 430.342 4.790 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000058159493 556763858 /nfs/dbraw/zinc/76/38/58/556763858.db2.gz RDJXPHAKQIZTPN-MRXNPFEDSA-N 0 0 437.462 4.586 50 0 IJAARN CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 ZINC000005326075 556764149 /nfs/dbraw/zinc/76/41/49/556764149.db2.gz SEPCAUUAGZRNAG-KRWDZBQOSA-N 0 0 426.561 4.580 50 0 IJAARN CC(=O)c1ccc(N2CCN([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000058161325 556765116 /nfs/dbraw/zinc/76/51/16/556765116.db2.gz WVIAUNMSQOLMKU-AREMUKBSSA-N 0 0 427.548 4.700 50 0 IJAARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000058308531 556779541 /nfs/dbraw/zinc/77/95/41/556779541.db2.gz UHTAFVPRGDGHAI-UHFFFAOYSA-N 0 0 439.468 4.657 50 0 IJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000058378089 556784026 /nfs/dbraw/zinc/78/40/26/556784026.db2.gz YXTQGBYJJDXBHU-UHFFFAOYSA-N 0 0 428.583 4.787 50 0 IJAARN O=c1c(Cl)c(N2CCC[C@@H]2c2cccc(F)c2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058402351 556785338 /nfs/dbraw/zinc/78/53/38/556785338.db2.gz IUZQNVFAQVSTOD-OAHLLOKOSA-N 0 0 438.812 4.780 50 0 IJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Br)c12 ZINC000058404069 556785671 /nfs/dbraw/zinc/78/56/71/556785671.db2.gz CCIQSGKYFSKTNK-UHFFFAOYSA-N 0 0 429.249 4.691 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cc(F)cc4nc(C)c(C)nc43)n2)cc1OC ZINC000058406315 556785844 /nfs/dbraw/zinc/78/58/44/556785844.db2.gz ADULSTZQJHMNEV-UHFFFAOYSA-N 0 0 438.484 4.779 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)c1 ZINC000058431312 556787945 /nfs/dbraw/zinc/78/79/45/556787945.db2.gz SDDAGNJOUCWUKM-OAHLLOKOSA-N 0 0 447.457 4.991 50 0 IJAARN CCc1ccc([C@H](NC(=O)Cc2csc(NC(=O)C(C)C)n2)c2cccs2)cc1 ZINC000058439441 556788778 /nfs/dbraw/zinc/78/87/78/556788778.db2.gz BPANIWDMKKISJL-FQEVSTJZSA-N 0 0 427.595 4.810 50 0 IJAARN CCOc1ccc([C@H](NC(=O)CCCNC(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000058775210 556792029 /nfs/dbraw/zinc/79/20/29/556792029.db2.gz AWQOVFDKNVNFAR-RUZDIDTESA-N 0 0 437.584 4.703 50 0 IJAARN C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000059109429 556794847 /nfs/dbraw/zinc/79/48/47/556794847.db2.gz LKQXSYKSNDBXJQ-NSHDSACASA-N 0 0 431.252 4.550 50 0 IJAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000003249711 556804894 /nfs/dbraw/zinc/80/48/94/556804894.db2.gz BNBNZRNQPIRUKO-LJQANCHMSA-N 0 0 445.382 4.718 50 0 IJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccccc2)n1 ZINC000003292194 556806924 /nfs/dbraw/zinc/80/69/24/556806924.db2.gz SYHCMGVYNUYFBJ-UHFFFAOYSA-N 0 0 425.513 4.806 50 0 IJAARN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)ccc1Br ZINC000003283865 556808452 /nfs/dbraw/zinc/80/84/52/556808452.db2.gz SJPIPFRKMZEFQY-RUDMXATFSA-N 0 0 440.240 4.554 50 0 IJAARN CCOc1ccc(-c2nnc(NC(=O)COc3ccccc3Cc3ccccc3)o2)cc1 ZINC000003354200 556813864 /nfs/dbraw/zinc/81/38/64/556813864.db2.gz CKXFSGIJSRHFSF-UHFFFAOYSA-N 0 0 429.476 4.744 50 0 IJAARN CCOc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1OCC ZINC000003375129 556816086 /nfs/dbraw/zinc/81/60/86/556816086.db2.gz VNSPVOQJNWBMFI-UHFFFAOYSA-N 0 0 433.504 4.547 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cncc(Br)c1 ZINC000060389054 556818089 /nfs/dbraw/zinc/81/80/89/556818089.db2.gz BFTYOYQSTXDDRK-UHFFFAOYSA-N 0 0 435.709 4.598 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2C)c1 ZINC000033064384 556819032 /nfs/dbraw/zinc/81/90/32/556819032.db2.gz ITMLAOXMRSOJBQ-UHFFFAOYSA-N 0 0 434.565 4.762 50 0 IJAARN CCc1ccccc1OCc1nnc(SCc2cc(=O)c3cccc(F)c3[nH]2)n1CC ZINC000033067712 556819568 /nfs/dbraw/zinc/81/95/68/556819568.db2.gz YFEWKIMLFFMTRO-UHFFFAOYSA-N 0 0 438.528 4.712 50 0 IJAARN CCc1ccc(OCc2nnc(SCc3cc(=O)c4cccc(F)c4[nH]3)n2CC)cc1 ZINC000033067718 556819623 /nfs/dbraw/zinc/81/96/23/556819623.db2.gz DPXACSYJRMIZBQ-UHFFFAOYSA-N 0 0 438.528 4.712 50 0 IJAARN COc1ccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)cc1 ZINC000064392424 556823494 /nfs/dbraw/zinc/82/34/94/556823494.db2.gz ZTBYFVIYDOPWAD-QGZVFWFLSA-N 0 0 446.576 4.684 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064661912 556825793 /nfs/dbraw/zinc/82/57/93/556825793.db2.gz QPVRGAAWOAYSOB-VWLOTQADSA-N 0 0 447.535 4.886 50 0 IJAARN Cc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)o1 ZINC000064817019 556827757 /nfs/dbraw/zinc/82/77/57/556827757.db2.gz GBPBSDDBKURRAG-UHFFFAOYSA-N 0 0 436.537 4.674 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1 ZINC000065003065 556831295 /nfs/dbraw/zinc/83/12/95/556831295.db2.gz MDFGXKYHCIOCKD-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000062579991 556835371 /nfs/dbraw/zinc/83/53/71/556835371.db2.gz OHPCUENWADITSE-NTEUORMPSA-N 0 0 436.515 4.854 50 0 IJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N(C)Cc1cnn(CC)c1 ZINC000019637035 556835786 /nfs/dbraw/zinc/83/57/86/556835786.db2.gz PXQCFFLOBHBIKM-UHFFFAOYSA-N 0 0 442.610 4.561 50 0 IJAARN CCOc1cccc(-c2cc(C(=O)N3NC(C)=C[C@]3(O)C(F)(F)F)c3ccccc3n2)c1 ZINC000019637854 556836230 /nfs/dbraw/zinc/83/62/30/556836230.db2.gz GBOVLXCQQNFDAD-QFIPXVFZSA-N 0 0 443.425 4.773 50 0 IJAARN Cc1sc2[nH]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c(=O)c2c1C ZINC000019639602 556836941 /nfs/dbraw/zinc/83/69/41/556836941.db2.gz JGVLCKSUYDKANO-UHFFFAOYSA-N 0 0 443.978 4.533 50 0 IJAARN CC(=O)c1cc(C)cc2c1N(C(=O)CSc1nnnn1-c1ccccc1)C(C)(C)C[C@@H]2C ZINC000334161395 556837191 /nfs/dbraw/zinc/83/71/91/556837191.db2.gz ZFHKAOHOKJEIHO-INIZCTEOSA-N 0 0 449.580 4.584 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1NC(C)=O ZINC000019684605 556841708 /nfs/dbraw/zinc/84/17/08/556841708.db2.gz PDSRTXBHYJYSDT-UHFFFAOYSA-N 0 0 431.897 4.742 50 0 IJAARN COc1cc(OC)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1Cl ZINC000011212412 556842383 /nfs/dbraw/zinc/84/23/83/556842383.db2.gz VOGZVKTZQMBOQQ-UHFFFAOYSA-N 0 0 438.915 4.741 50 0 IJAARN Cc1ccc(Cn2cc(S(=O)(=O)c3cccc(C)c3)c(=O)c3cc(F)c(F)cc32)cc1 ZINC000067340576 556842472 /nfs/dbraw/zinc/84/24/72/556842472.db2.gz VPRBCXATZOPJQF-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)n(-c2ccccc2)n1 ZINC000008825024 556849005 /nfs/dbraw/zinc/84/90/05/556849005.db2.gz UVROJRXGAJNGHZ-UHFFFAOYSA-N 0 0 447.322 4.667 50 0 IJAARN CCC[C@H](C)[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078695 556853718 /nfs/dbraw/zinc/85/37/18/556853718.db2.gz RHDZOEOYNQOLNO-INIZCTEOSA-N 0 0 429.948 4.601 50 0 IJAARN COc1cccc(NC(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)c1 ZINC000033085265 556855297 /nfs/dbraw/zinc/85/52/97/556855297.db2.gz LWDVDDBOXWRZLJ-UHFFFAOYSA-N 0 0 440.931 4.662 50 0 IJAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3ccc(OCC(C)C)cc3)sc2c1 ZINC000033088200 556856253 /nfs/dbraw/zinc/85/62/53/556856253.db2.gz JSLKJCJRQYRCKN-GOSISDBHSA-N 0 0 448.548 5.000 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(SC)cc3)sc2c1 ZINC000033088228 556856269 /nfs/dbraw/zinc/85/62/69/556856269.db2.gz BAYKLADURFFTEO-MRXNPFEDSA-N 0 0 436.562 4.995 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1OC)=C(C)N2 ZINC000033085376 556856403 /nfs/dbraw/zinc/85/64/03/556856403.db2.gz ORSMIZQCRKPOCJ-FQEVSTJZSA-N 0 0 435.553 4.635 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@@H]1COc2ccc(NC(=O)Nc3ccccc3)cc2C1 ZINC000033121679 556862663 /nfs/dbraw/zinc/86/26/63/556862663.db2.gz IJIQYNMGIABFFY-FQEVSTJZSA-N 0 0 445.519 4.597 50 0 IJAARN CSc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1 ZINC000033128002 556864864 /nfs/dbraw/zinc/86/48/64/556864864.db2.gz IHRNFLQKJAXTAT-JOCHJYFZSA-N 0 0 431.561 4.731 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128173 556865005 /nfs/dbraw/zinc/86/50/05/556865005.db2.gz MAMGJNUVCUNORK-HNNXBMFYSA-N 0 0 443.956 4.712 50 0 IJAARN Cc1ccc(-n2nc(SCC(=O)Nc3ccccc3C(F)(F)F)ccc2=O)cc1C ZINC000033128009 556865055 /nfs/dbraw/zinc/86/50/55/556865055.db2.gz RBXZUCZPVYNYKD-UHFFFAOYSA-N 0 0 433.455 4.599 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128194 556865232 /nfs/dbraw/zinc/86/52/32/556865232.db2.gz ACWJKINXUSANAA-OAHLLOKOSA-N 0 0 441.940 4.516 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000033126057 556866742 /nfs/dbraw/zinc/86/67/42/556866742.db2.gz VEUVPYSUOFNGRY-UHFFFAOYSA-N 0 0 443.613 4.560 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2ccc(F)cc2)C2CCCCC2)[C@@H]1C ZINC000004672567 556867737 /nfs/dbraw/zinc/86/77/37/556867737.db2.gz TVXDYQVOJSRYIB-JBYIUTFZSA-N 0 0 433.637 4.776 50 0 IJAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)Nc1ccc2c(c1)OCCO2 ZINC000033129515 556868662 /nfs/dbraw/zinc/86/86/62/556868662.db2.gz MBWKDIOYXUKAMH-UHFFFAOYSA-N 0 0 446.488 4.964 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129973 556869483 /nfs/dbraw/zinc/86/94/83/556869483.db2.gz AUAIFKXSGRDDNL-HXUWFJFHSA-N 0 0 448.588 4.938 50 0 IJAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)nn2)c1 ZINC000033130905 556871303 /nfs/dbraw/zinc/87/13/03/556871303.db2.gz WMLATFRHTGRITN-UHFFFAOYSA-N 0 0 441.443 4.926 50 0 IJAARN Cc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C(C)C)c3)cc2)ccc1Br ZINC000033140783 556876920 /nfs/dbraw/zinc/87/69/20/556876920.db2.gz DPTQUBUZESUMGE-UHFFFAOYSA-N 0 0 441.329 4.790 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1C ZINC000033141998 556877376 /nfs/dbraw/zinc/87/73/76/556877376.db2.gz URHPVZYFPABZSC-FQEVSTJZSA-N 0 0 430.552 4.980 50 0 IJAARN O=C(Nc1cc(F)ccc1F)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168631 556880603 /nfs/dbraw/zinc/88/06/03/556880603.db2.gz SUSHFJPKSFYHRG-UHFFFAOYSA-N 0 0 426.492 4.761 50 0 IJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000033168720 556880948 /nfs/dbraw/zinc/88/09/48/556880948.db2.gz UJWGDSIAFAGIIK-LJQANCHMSA-N 0 0 436.556 4.608 50 0 IJAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168759 556880964 /nfs/dbraw/zinc/88/09/64/556880964.db2.gz BOLMFBXEYCFEBL-SFHVURJKSA-N 0 0 438.984 4.814 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033171017 556881861 /nfs/dbraw/zinc/88/18/61/556881861.db2.gz NZEJPFRMXIRWJF-WQLSENKSSA-N 0 0 425.510 4.529 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000033173528 556883569 /nfs/dbraw/zinc/88/35/69/556883569.db2.gz OZWTWPANIOXWLQ-UHFFFAOYSA-N 0 0 438.427 4.926 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1CCc1ccccc1 ZINC000033249568 556889580 /nfs/dbraw/zinc/88/95/80/556889580.db2.gz KOJLAFKPWDBTMJ-MUUNZHRXSA-N 0 0 441.575 4.671 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251180 556892130 /nfs/dbraw/zinc/89/21/30/556892130.db2.gz POMWNLRJGATEOD-SFHVURJKSA-N 0 0 445.441 4.825 50 0 IJAARN Cc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000033252077 556892499 /nfs/dbraw/zinc/89/24/99/556892499.db2.gz LXRDVMCKJPISPF-UHFFFAOYSA-N 0 0 434.565 4.509 50 0 IJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc([C@H]3CC(=O)N(c4ccccc4)C3)n2)c1 ZINC000033257541 556895750 /nfs/dbraw/zinc/89/57/50/556895750.db2.gz UQYJIDWBNFEIHF-SFHVURJKSA-N 0 0 439.475 4.901 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000019774777 556913461 /nfs/dbraw/zinc/91/34/61/556913461.db2.gz XQNLYDGDHWFUID-UHFFFAOYSA-N 0 0 434.605 4.708 50 0 IJAARN CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@H](CC)c1cccs1 ZINC000019795217 556916295 /nfs/dbraw/zinc/91/62/95/556916295.db2.gz PQDIZYBNECSZGZ-OAHLLOKOSA-N 0 0 426.567 4.961 50 0 IJAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 ZINC000019819564 556922745 /nfs/dbraw/zinc/92/27/45/556922745.db2.gz CWQDXGHMCVIRGE-WEVVVXLNSA-N 0 0 437.634 4.970 50 0 IJAARN CCc1nn2c(ncc3c2ccn(-c2ccc(C(C)=O)cc2)c3=O)c1-c1ccc(F)cc1 ZINC000019821373 556924452 /nfs/dbraw/zinc/92/44/52/556924452.db2.gz MBXAVCIYTXCHMJ-UHFFFAOYSA-N 0 0 426.451 4.605 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000019823182 556924944 /nfs/dbraw/zinc/92/49/44/556924944.db2.gz HZIBTWOOEWQQEW-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019841038 556929420 /nfs/dbraw/zinc/92/94/20/556929420.db2.gz FIDNNCCPPWKTAH-UHFFFAOYSA-N 0 0 447.560 4.722 50 0 IJAARN Cc1cccc(-c2ccc(C(=O)NC[C@H](C)c3ccccc3)c(N3CCC(O)CC3)n2)c1 ZINC000019885432 556938251 /nfs/dbraw/zinc/93/82/51/556938251.db2.gz GWGJENFBUXHUEX-FQEVSTJZSA-N 0 0 429.564 4.552 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(OC)c(OC)c1)CO3 ZINC000019890939 556939201 /nfs/dbraw/zinc/93/92/01/556939201.db2.gz PHBKIBVDVNUUEB-UHFFFAOYSA-N 0 0 437.536 4.856 50 0 biogenic IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020113737 556986868 /nfs/dbraw/zinc/98/68/68/556986868.db2.gz NIDHXYCNIMGZFS-PJCFOSJUSA-N 0 0 438.543 4.823 50 0 IJAARN CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(OC)cc4)cnn32)cc1 ZINC000033269020 556987062 /nfs/dbraw/zinc/98/70/62/556987062.db2.gz WJKPLLUQEYRXBB-UHFFFAOYSA-N 0 0 448.548 4.843 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000097111220 556990024 /nfs/dbraw/zinc/99/00/24/556990024.db2.gz DSBCAVQWOQYHBC-SDHOMARFSA-N 0 0 446.522 4.723 50 0 IJAARN C[C@H]1CC[C@@H](Cc2nc(C(C)(C)S(=O)(=O)c3ccc(Br)cc3)no2)C1 ZINC000097141559 556992784 /nfs/dbraw/zinc/99/27/84/556992784.db2.gz MRFVEBXRLHTZPX-QWHCGFSZSA-N 0 0 427.364 4.520 50 0 IJAARN Cc1nc2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5n4C(C)C)C3)cc2o1 ZINC000097163196 556994215 /nfs/dbraw/zinc/99/42/15/556994215.db2.gz QOEDTIFVIAMZGG-QGZVFWFLSA-N 0 0 438.553 4.635 50 0 IJAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1CN1CCOCC1 ZINC000020188650 556996088 /nfs/dbraw/zinc/99/60/88/556996088.db2.gz LPZYSHDXFNABAH-SANMLTNESA-N 0 0 443.547 4.607 50 0 IJAARN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccn2)CC1 ZINC000020193514 556996896 /nfs/dbraw/zinc/99/68/96/556996896.db2.gz PMNWGMNJCRIDQV-HSZRJFAPSA-N 0 0 434.609 4.739 50 0 IJAARN O=c1c2nc(N3CCCCC3)sc2c(-c2ccco2)nn1Cc1ccccc1Cl ZINC000023109133 557003939 /nfs/dbraw/zinc/00/39/39/557003939.db2.gz NMKZDSVOQPZFMU-UHFFFAOYSA-N 0 0 426.929 4.805 50 0 IJAARN Cc1ccc(/C=C2/SC(=O)N(CN3CCN(c4ccc(C)c(Cl)c4)CC3)C2=O)cc1 ZINC000020266073 557004431 /nfs/dbraw/zinc/00/44/31/557004431.db2.gz KYOVOKJOYOCSDP-FYJGNVAPSA-N 0 0 441.984 4.773 50 0 IJAARN CN(C)c1c(Cl)cccc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000097212285 557004898 /nfs/dbraw/zinc/00/48/98/557004898.db2.gz KOTUQXKGGGBYPX-UHFFFAOYSA-N 0 0 425.838 4.804 50 0 IJAARN CC(C)(C)c1ccc2c(c1)N(Cc1nc(-c3ccc(Br)cc3)no1)C(=O)CO2 ZINC000023126525 557008184 /nfs/dbraw/zinc/00/81/84/557008184.db2.gz IJAXONFTZVMDDK-UHFFFAOYSA-N 0 0 442.313 4.722 50 0 IJAARN COc1ccccc1[C@@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 ZINC000020345699 557008766 /nfs/dbraw/zinc/00/87/66/557008766.db2.gz INECUPANMLATPL-XMMPIXPASA-N 0 0 443.551 4.550 50 0 IJAARN COc1cc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)ccc1OC(F)F ZINC000096935667 557009442 /nfs/dbraw/zinc/00/94/42/557009442.db2.gz CAPKAEPXTLZQIA-VIZOYTHASA-N 0 0 433.794 4.613 50 0 IJAARN CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2)no1 ZINC000023126886 557011327 /nfs/dbraw/zinc/01/13/27/557011327.db2.gz QOXKFKVEOVPZIX-UHFFFAOYSA-N 0 0 433.461 4.568 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1 ZINC000023127040 557011615 /nfs/dbraw/zinc/01/16/15/557011615.db2.gz FTUHSUUITABAQB-UHFFFAOYSA-N 0 0 449.557 4.595 50 0 IJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccccc2)no1 ZINC000023126895 557011708 /nfs/dbraw/zinc/01/17/08/557011708.db2.gz KKVWKFUPWDIKSQ-UHFFFAOYSA-N 0 0 431.926 4.944 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020368277 557012262 /nfs/dbraw/zinc/01/22/62/557012262.db2.gz MPNBISBCFYXWNJ-HXUWFJFHSA-N 0 0 439.924 4.766 50 0 IJAARN Cc1noc([C@H](Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c2ccccc2)n1 ZINC000097000557 557013251 /nfs/dbraw/zinc/01/32/51/557013251.db2.gz JGOYUJFVGBJSEB-FUHWJXTLSA-N 0 0 439.566 4.759 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020407882 557014034 /nfs/dbraw/zinc/01/40/34/557014034.db2.gz OJINIGMRAADIRP-UHFFFAOYSA-N 0 0 443.547 4.691 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5cccc(Cl)c5)n4ccn3n2)cc1 ZINC000045971269 557014217 /nfs/dbraw/zinc/01/42/17/557014217.db2.gz LTSSSSVMBQYOOL-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C1CC1 ZINC000011264748 557014860 /nfs/dbraw/zinc/01/48/60/557014860.db2.gz XWRPFRHILVHGTO-MRXNPFEDSA-N 0 0 432.549 4.741 50 0 IJAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 ZINC000046012254 557018791 /nfs/dbraw/zinc/01/87/91/557018791.db2.gz JTLOGLHJJDENEB-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](C)c1ccccc1 ZINC000046004159 557019199 /nfs/dbraw/zinc/01/91/99/557019199.db2.gz GWFATHSOZVRGFZ-GOSISDBHSA-N 0 0 434.561 4.863 50 0 IJAARN CC(C)COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1 ZINC000046016969 557020140 /nfs/dbraw/zinc/02/01/40/557020140.db2.gz FOKCERKSFDBEJD-HXUWFJFHSA-N 0 0 449.576 4.582 50 0 IJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C ZINC000046017172 557020451 /nfs/dbraw/zinc/02/04/51/557020451.db2.gz XJFYCFXXNKMWHQ-LJQANCHMSA-N 0 0 449.576 4.644 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1Br ZINC000010733147 557022061 /nfs/dbraw/zinc/02/20/61/557022061.db2.gz RHIIOOJSLUOJBO-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000046053267 557026121 /nfs/dbraw/zinc/02/61/21/557026121.db2.gz MJTUNRIJVVOFIP-UHFFFAOYSA-N 0 0 441.457 4.510 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000046053575 557026463 /nfs/dbraw/zinc/02/64/63/557026463.db2.gz FZGUGLMZZVKWMC-KRWDZBQOSA-N 0 0 441.959 4.603 50 0 IJAARN Cc1nc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2s1 ZINC000010784467 557027159 /nfs/dbraw/zinc/02/71/59/557027159.db2.gz BMODTRDYOJMQKY-UHFFFAOYSA-N 0 0 435.578 4.853 50 0 IJAARN CC[C@@H](C(=O)NCc1ccc(C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000032944753 557027837 /nfs/dbraw/zinc/02/78/37/557027837.db2.gz JQSKMKVSIUPTJJ-SFHVURJKSA-N 0 0 431.458 4.608 50 0 IJAARN Cc1oc(-c2cccs2)nc1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000010801180 557028122 /nfs/dbraw/zinc/02/81/22/557028122.db2.gz MLAXKCJRJKBZGV-INIZCTEOSA-N 0 0 425.510 4.699 50 0 IJAARN Cc1ccc(-n2ccn3c(SCc4cccc(C(F)(F)F)c4)nnc3c2=O)cc1C ZINC000046047441 557028112 /nfs/dbraw/zinc/02/81/12/557028112.db2.gz UILVCEFPUAAMHC-UHFFFAOYSA-N 0 0 430.455 4.808 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CCCC4)cc3c2)cc1 ZINC000046058588 557029533 /nfs/dbraw/zinc/02/95/33/557029533.db2.gz DALPEDUOSLBFIZ-UHFFFAOYSA-N 0 0 428.579 4.707 50 0 IJAARN CN(c1ccc2sc(C(=O)NCc3ccccc3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058476 557029566 /nfs/dbraw/zinc/02/95/66/557029566.db2.gz UDPYSTWLTJKLHX-UHFFFAOYSA-N 0 0 436.558 4.656 50 0 IJAARN CCN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000046073490 557029819 /nfs/dbraw/zinc/02/98/19/557029819.db2.gz SHHNMCYSZBCHPT-UHFFFAOYSA-N 0 0 428.579 4.661 50 0 IJAARN Nn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000032946479 557031668 /nfs/dbraw/zinc/03/16/68/557031668.db2.gz STJGTBWXOOXOOI-UHFFFAOYSA-N 0 0 441.573 4.550 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 ZINC000046077410 557033021 /nfs/dbraw/zinc/03/30/21/557033021.db2.gz MSNCZFKTXAOAQX-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 ZINC000046122868 557036533 /nfs/dbraw/zinc/03/65/33/557036533.db2.gz ZCUPKCMEVZUFSP-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000010855413 557040273 /nfs/dbraw/zinc/04/02/73/557040273.db2.gz WULQBUIDTWVOBL-UHFFFAOYSA-N 0 0 429.480 4.651 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(SCc2nc(-c3ccc(C(C)C)cc3)no2)nc1 ZINC000010865351 557043881 /nfs/dbraw/zinc/04/38/81/557043881.db2.gz GPSJMYKYTZTWPL-UHFFFAOYSA-N 0 0 446.598 4.578 50 0 IJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181234 557045399 /nfs/dbraw/zinc/04/53/99/557045399.db2.gz MWWGIONUPWDDSS-YADARESESA-N 0 0 437.584 4.565 50 0 IJAARN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Br)cc3)cs2)no1 ZINC000022919505 557046660 /nfs/dbraw/zinc/04/66/60/557046660.db2.gz XABKYMBFTPZPIA-OAHLLOKOSA-N 0 0 448.342 4.695 50 0 IJAARN CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)ccc1O ZINC000033271496 557049412 /nfs/dbraw/zinc/04/94/12/557049412.db2.gz QWFDUZSHQGROFA-HNNXBMFYSA-N 0 0 434.521 4.677 50 0 IJAARN O=C(NCc1ccccc1Cl)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271764 557050069 /nfs/dbraw/zinc/05/00/69/557050069.db2.gz FEJNVGYGMXQCST-UHFFFAOYSA-N 0 0 449.795 4.533 50 0 IJAARN Cc1c(-c2ccccc2)sc2nc(-c3cnn4c3nccc4C(F)(F)F)[nH]c(=O)c12 ZINC000048273937 557051245 /nfs/dbraw/zinc/05/12/45/557051245.db2.gz UCWLEINHSCRAHV-UHFFFAOYSA-N 0 0 427.411 4.689 50 0 IJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000022989847 557056141 /nfs/dbraw/zinc/05/61/41/557056141.db2.gz JMHJYDTVADEXGH-UHFFFAOYSA-N 0 0 445.566 4.529 50 0 IJAARN Cc1nc(C)c(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)s1 ZINC000033276430 557056808 /nfs/dbraw/zinc/05/68/08/557056808.db2.gz MVPASSQCVPUMDR-UHFFFAOYSA-N 0 0 426.523 4.586 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316852 557057269 /nfs/dbraw/zinc/05/72/69/557057269.db2.gz BNTUNBHAUBZVSV-FQEVSTJZSA-N 0 0 435.553 4.635 50 0 IJAARN O=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033279067 557061067 /nfs/dbraw/zinc/06/10/67/557061067.db2.gz AJYGTLKOUXOTRY-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023108049 557063756 /nfs/dbraw/zinc/06/37/56/557063756.db2.gz LSADJCUUYBNTQI-KRWDZBQOSA-N 0 0 439.478 4.809 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 ZINC000033287439 557064672 /nfs/dbraw/zinc/06/46/72/557064672.db2.gz ZFRJPXKRBJPBLQ-UHFFFAOYSA-N 0 0 432.911 4.765 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1c(C)cccc1C ZINC000023119141 557064820 /nfs/dbraw/zinc/06/48/20/557064820.db2.gz BZCPJNVESQRNLJ-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN CCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)cc1 ZINC000033288349 557065493 /nfs/dbraw/zinc/06/54/93/557065493.db2.gz DUHCLUKPZMMDAM-UHFFFAOYSA-N 0 0 448.523 4.531 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)NCc3ccccc3C)C2)c1 ZINC000033288807 557066131 /nfs/dbraw/zinc/06/61/31/557066131.db2.gz CYSAOFCLLQFHNK-NRFANRHFSA-N 0 0 432.593 4.777 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O ZINC000051364623 557066657 /nfs/dbraw/zinc/06/66/57/557066657.db2.gz VUXRJFMUPFUUEC-UHFFFAOYSA-N 0 0 446.370 4.546 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)o2)cc1 ZINC000033290851 557069091 /nfs/dbraw/zinc/06/90/91/557069091.db2.gz IAVTVHKEPBUQOY-HNNXBMFYSA-N 0 0 438.915 4.793 50 0 IJAARN Cc1cc(-c2nc3ccccc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000033289280 557071094 /nfs/dbraw/zinc/07/10/94/557071094.db2.gz SCGGNNDNWWYJET-UHFFFAOYSA-N 0 0 438.530 4.844 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 ZINC000033289818 557071596 /nfs/dbraw/zinc/07/15/96/557071596.db2.gz GKULVQZYCCSFCO-ARKBFRDHSA-N 0 0 444.535 4.813 50 0 IJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c2)sc1C ZINC000033297669 557073208 /nfs/dbraw/zinc/07/32/08/557073208.db2.gz IJPFMZNVOCVBPF-UHFFFAOYSA-N 0 0 432.514 4.986 50 0 IJAARN O=C(Cn1ccc2c1ccnc2SCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000033298612 557074562 /nfs/dbraw/zinc/07/45/62/557074562.db2.gz RQDNOSXYPPKSMX-UHFFFAOYSA-N 0 0 442.588 4.677 50 0 IJAARN COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1 ZINC000112292937 557077802 /nfs/dbraw/zinc/07/78/02/557077802.db2.gz ZFGKWPKPPGNPDD-OAQYLSRUSA-N 0 0 438.549 4.638 50 0 IJAARN CCCOc1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1OCCC ZINC000014892677 557077808 /nfs/dbraw/zinc/07/78/08/557077808.db2.gz IZWQVVUCXIWKSN-UHFFFAOYSA-N 0 0 432.904 4.854 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)ccc21 ZINC000023298908 557082960 /nfs/dbraw/zinc/08/29/60/557082960.db2.gz UJMUOPHGPXQKCD-UHFFFAOYSA-N 0 0 425.488 4.716 50 0 IJAARN Cc1cc(OCC(=O)NCc2ccccc2Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000049007033 557085662 /nfs/dbraw/zinc/08/56/62/557085662.db2.gz VUDJUJOGJOMARP-UHFFFAOYSA-N 0 0 435.833 4.819 50 0 IJAARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3ccccc3F)s2)c1NC(=O)C1CC1 ZINC000033306606 557085661 /nfs/dbraw/zinc/08/56/61/557085661.db2.gz CULTXEAHQLEQCI-CSKARUKUSA-N 0 0 447.513 4.503 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cccc(C)c4C)CC3=O)c2)c1 ZINC000033308625 557089495 /nfs/dbraw/zinc/08/94/95/557089495.db2.gz IFYXHNSZFMTVRE-NRFANRHFSA-N 0 0 441.531 4.856 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000033309863 557092636 /nfs/dbraw/zinc/09/26/36/557092636.db2.gz KJVILPKXALGUID-UHFFFAOYSA-N 0 0 447.608 4.657 50 0 IJAARN Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc21 ZINC000023484951 557094593 /nfs/dbraw/zinc/09/45/93/557094593.db2.gz GBOOSVUVPNAAIL-UHFFFAOYSA-N 0 0 432.549 4.908 50 0 IJAARN Cc1ccc2nc(NC(=O)CN3CCC(c4nnc(-c5ccco5)s4)CC3)sc2c1 ZINC000049363137 557094655 /nfs/dbraw/zinc/09/46/55/557094655.db2.gz ZUSBVCWGUBCRJD-UHFFFAOYSA-N 0 0 439.566 4.534 50 0 IJAARN CCc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405144 557100415 /nfs/dbraw/zinc/10/04/15/557100415.db2.gz ZQLKSSMYXVWRDJ-UHFFFAOYSA-N 0 0 440.956 4.649 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)Nc3ccccc3)cc2s1)NCc1ccco1 ZINC000033320695 557104152 /nfs/dbraw/zinc/10/41/52/557104152.db2.gz RIJGRFDZNVJDMF-UHFFFAOYSA-N 0 0 438.534 4.942 50 0 IJAARN CCOc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)no2)cc1 ZINC000033327413 557110035 /nfs/dbraw/zinc/11/00/35/557110035.db2.gz GSXJNHRNFXEEMT-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COc1ccc(N2c3c(sc(=O)n3C)[C@H](c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000049545288 557111171 /nfs/dbraw/zinc/11/11/71/557111171.db2.gz MIIYIYYAVRJGOA-HNNXBMFYSA-N 0 0 435.332 4.963 50 0 IJAARN Cc1nn([C@H](C)c2nn3c(nnc3-c3cc(F)ccc3Cl)s2)cc1Br ZINC000049546981 557112066 /nfs/dbraw/zinc/11/20/66/557112066.db2.gz RLARICWCUZWPBJ-MRVPVSSYSA-N 0 0 441.717 4.522 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cc2Cl)C12CCCC2 ZINC000049551060 557113562 /nfs/dbraw/zinc/11/35/62/557113562.db2.gz CZXXWYKOOVUADL-OAQYLSRUSA-N 0 0 426.944 4.786 50 0 IJAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC(C)C)C3=O)s1 ZINC000033331718 557115594 /nfs/dbraw/zinc/11/55/94/557115594.db2.gz MONFMMUZBZPBBO-XMMPIXPASA-N 0 0 429.630 4.975 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c(C)c1 ZINC000033331916 557116338 /nfs/dbraw/zinc/11/63/38/557116338.db2.gz QUQMBKPTQGSNIX-GTIOVZTQSA-N 0 0 433.552 4.965 50 0 IJAARN COc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000113562467 557117372 /nfs/dbraw/zinc/11/73/72/557117372.db2.gz KPGBPDYDOHYEOO-OAQYLSRUSA-N 0 0 447.516 4.763 50 0 IJAARN COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000113562350 557117379 /nfs/dbraw/zinc/11/73/79/557117379.db2.gz ZIHLTRNHYCQCEQ-OAQYLSRUSA-N 0 0 447.516 4.763 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1cccnc1Cl ZINC000017757996 557118098 /nfs/dbraw/zinc/11/80/98/557118098.db2.gz AWEOEMGAJDDAHI-UHFFFAOYSA-N 0 0 441.969 4.699 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001144223 557119275 /nfs/dbraw/zinc/11/92/75/557119275.db2.gz FKYZWVRWSREJHN-UHFFFAOYSA-N 0 0 436.577 4.750 50 0 IJAARN C[C@@H](c1nc2ccccc2s1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000023849580 557120678 /nfs/dbraw/zinc/12/06/78/557120678.db2.gz NBJQRPOORKWRMC-INIZCTEOSA-N 0 0 436.610 4.554 50 0 IJAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O)c1ccc(Br)cc1 ZINC000001098429 557121084 /nfs/dbraw/zinc/12/10/84/557121084.db2.gz XUKIRRRHZIGMNA-FOWTUZBSSA-N 0 0 438.233 4.606 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000647790 557124575 /nfs/dbraw/zinc/12/45/75/557124575.db2.gz QLIZRIIWDQXXKS-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Br)n1C ZINC000000649288 557124751 /nfs/dbraw/zinc/12/47/51/557124751.db2.gz TVGGMQSJIWYKHU-UHFFFAOYSA-N 0 0 445.386 4.846 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000000649407 557124787 /nfs/dbraw/zinc/12/47/87/557124787.db2.gz ACSAWKDOVGFOGL-UHFFFAOYSA-N 0 0 445.544 4.850 50 0 IJAARN O=C(Cc1coc2ccc3ccccc3c12)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000023967740 557127986 /nfs/dbraw/zinc/12/79/86/557127986.db2.gz OKUMHNAEIKMUGN-UHFFFAOYSA-N 0 0 425.488 4.635 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)cc1C ZINC000000655538 557129520 /nfs/dbraw/zinc/12/95/20/557129520.db2.gz SNYVAIVACJFSEV-QHCPKHFHSA-N 0 0 445.416 4.939 50 0 IJAARN Cc1ccccc1Nc1nc(N)nc(CN2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000023983953 557129901 /nfs/dbraw/zinc/12/99/01/557129901.db2.gz JVGLKKJUBHROKA-HXUWFJFHSA-N 0 0 434.594 4.777 50 0 IJAARN Cc1cccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c1 ZINC000000654295 557130186 /nfs/dbraw/zinc/13/01/86/557130186.db2.gz SZEVUNTUGSPPCO-QFIPXVFZSA-N 0 0 431.389 4.631 50 0 IJAARN CC(=O)c1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024025018 557132367 /nfs/dbraw/zinc/13/23/67/557132367.db2.gz RKOLCWJHQQICDK-UHFFFAOYSA-N 0 0 425.838 4.812 50 0 IJAARN CCOc1ccc(N(CC)C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 ZINC000006840543 557132890 /nfs/dbraw/zinc/13/28/90/557132890.db2.gz KHXHWCGZJXZNJO-UHFFFAOYSA-N 0 0 425.554 4.558 50 0 IJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 ZINC000002856903 557133389 /nfs/dbraw/zinc/13/33/89/557133389.db2.gz BXZNYLSMZUGERF-LBPRGKRZSA-N 0 0 427.257 4.961 50 0 IJAARN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c(F)c1F ZINC000002886790 557135162 /nfs/dbraw/zinc/13/51/62/557135162.db2.gz FUHWDLTTWYYWSL-UHFFFAOYSA-N 0 0 427.206 4.685 50 0 IJAARN CCNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 ZINC000024762539 557135189 /nfs/dbraw/zinc/13/51/89/557135189.db2.gz KIYBHLDBTNHTNJ-UHFFFAOYSA-N 0 0 429.929 4.539 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCC1)OCc1ccccc1 ZINC000000705982 557139889 /nfs/dbraw/zinc/13/98/89/557139889.db2.gz ZGXYTHWFZIANES-DEOSSOPVSA-N 0 0 433.552 4.844 50 0 IJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000024470624 557147711 /nfs/dbraw/zinc/14/77/11/557147711.db2.gz KANMEJUMZGPLDS-UHFFFAOYSA-N 0 0 440.468 4.793 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)[C@@H](OC(C)=O)c1ccccc1 ZINC000000719618 557149223 /nfs/dbraw/zinc/14/92/23/557149223.db2.gz ZUFJYPJJIHNMER-IBGZPJMESA-N 0 0 427.478 4.736 50 0 IJAARN CCOc1ccc(OCCC(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000011451506 557150180 /nfs/dbraw/zinc/15/01/80/557150180.db2.gz FAVMTBCCYCFJSC-UHFFFAOYSA-N 0 0 437.521 4.501 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 ZINC000011475183 557152432 /nfs/dbraw/zinc/15/24/32/557152432.db2.gz RXRBUNDGWAOJRV-INIZCTEOSA-N 0 0 448.317 4.750 50 0 IJAARN Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608587 557153938 /nfs/dbraw/zinc/15/39/38/557153938.db2.gz ZOHLUIDFWUEFIP-UHFFFAOYSA-N 0 0 449.016 4.952 50 0 IJAARN Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 ZINC000011512118 557156534 /nfs/dbraw/zinc/15/65/34/557156534.db2.gz RFDQKQGHAUQGQE-OAHLLOKOSA-N 0 0 437.009 4.893 50 0 IJAARN Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Cl ZINC000095929310 557161966 /nfs/dbraw/zinc/16/19/66/557161966.db2.gz VHRLQHUMNVKTDK-QFIPXVFZSA-N 0 0 432.911 4.610 50 0 IJAARN CCCCCSc1nc2ccc(NC(=O)c3ccc(CS(C)(=O)=O)o3)cc2s1 ZINC000072295400 557162667 /nfs/dbraw/zinc/16/26/67/557162667.db2.gz CFHDHDIWTPFLPF-UHFFFAOYSA-N 0 0 438.596 4.969 50 0 IJAARN O=C(CCSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccccc1F ZINC000024834967 557166435 /nfs/dbraw/zinc/16/64/35/557166435.db2.gz QCZWWIBGYPQHGI-UHFFFAOYSA-N 0 0 433.512 4.648 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccco3)no2)n1-c1cccc(Cl)c1 ZINC000024839195 557168003 /nfs/dbraw/zinc/16/80/03/557168003.db2.gz NMVILNJXYLPCAJ-UHFFFAOYSA-N 0 0 436.880 4.974 50 0 IJAARN COc1ccc(OC)c(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3)c2=O)c1 ZINC000000756682 557170111 /nfs/dbraw/zinc/17/01/11/557170111.db2.gz HZLNRBGZEZNPLZ-UHFFFAOYSA-N 0 0 443.575 4.706 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc2c(c1)OCC(=O)N2 ZINC000024833119 557171258 /nfs/dbraw/zinc/17/12/58/557171258.db2.gz IHAWAUYLKAGEQB-UHFFFAOYSA-N 0 0 434.304 4.624 50 0 IJAARN CC(=O)N[C@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000777973 557172986 /nfs/dbraw/zinc/17/29/86/557172986.db2.gz DYBPUXNBXIEJES-SECBINFHSA-N 0 0 443.998 4.766 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000024850625 557174184 /nfs/dbraw/zinc/17/41/84/557174184.db2.gz AJGGIFIFXREVTI-QGZVFWFLSA-N 0 0 442.544 4.758 50 0 IJAARN COc1cc(CC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc(OC)c1OC ZINC000024876904 557176186 /nfs/dbraw/zinc/17/61/86/557176186.db2.gz YMEMQPPWWOKVCD-RUZDIDTESA-N 0 0 431.488 4.907 50 0 IJAARN CCCOc1ccc(OCC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 ZINC000010967051 557176634 /nfs/dbraw/zinc/17/66/34/557176634.db2.gz LHYBTJQREBRLDC-UHFFFAOYSA-N 0 0 443.500 4.714 50 0 IJAARN Brc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193898 557182563 /nfs/dbraw/zinc/18/25/63/557182563.db2.gz QEEILUFTVGJCCV-UHFFFAOYSA-N 0 0 427.283 4.941 50 0 IJAARN COc1ccc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3)n2)cc1 ZINC000096210097 557183013 /nfs/dbraw/zinc/18/30/13/557183013.db2.gz HVOWLQXXXGIEHQ-LJQANCHMSA-N 0 0 439.899 4.507 50 0 IJAARN COc1cccc(NC(=O)Cc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000009306136 557186389 /nfs/dbraw/zinc/18/63/89/557186389.db2.gz WZVKGNCLUFUPKI-UHFFFAOYSA-N 0 0 437.352 4.604 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000024992774 557188031 /nfs/dbraw/zinc/18/80/31/557188031.db2.gz OBFYDVZFAWTKLF-UHFFFAOYSA-N 0 0 438.578 4.845 50 0 IJAARN O=C(CN[C@@H](c1cc2ccccc2o1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000024993273 557188345 /nfs/dbraw/zinc/18/83/45/557188345.db2.gz GQZJAAKKEAYNII-HHHXNRCGSA-N 0 0 439.515 4.877 50 0 IJAARN CC(=O)N1CCN(C(=O)c2c3ccccc3nc3c2C[C@@H](C)C/C3=C/c2ccccc2)CC1 ZINC000098003019 557189191 /nfs/dbraw/zinc/18/91/91/557189191.db2.gz ANDQAIGGQILDPC-ODXGNSPJSA-N 0 0 439.559 4.662 50 0 IJAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 ZINC000009526176 557190445 /nfs/dbraw/zinc/19/04/45/557190445.db2.gz VHFUERAJODWVMZ-LJQANCHMSA-N 0 0 444.560 4.816 50 0 IJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100873449 557196463 /nfs/dbraw/zinc/19/64/63/557196463.db2.gz VDTCUNLERPIAFF-XDOYNYLZSA-N 0 0 433.371 4.562 50 0 IJAARN CCc1nc([C@@H](C)CC)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096316942 557198703 /nfs/dbraw/zinc/19/87/03/557198703.db2.gz SWXNNHYAKUPFKD-IBGZPJMESA-N 0 0 440.607 4.977 50 0 IJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Nc2cccc(OC)c2)cc1 ZINC000100894805 557198906 /nfs/dbraw/zinc/19/89/06/557198906.db2.gz QMHFPZMSCVQBDW-UHFFFAOYSA-N 0 0 438.480 4.968 50 0 IJAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@H](c2ccccc2)C=C(c2ccccc2)N=3)S1 ZINC000003186303 557199720 /nfs/dbraw/zinc/19/97/20/557199720.db2.gz ILZZUBGVKDHEJZ-IBGZPJMESA-N 0 0 434.611 4.971 50 0 IJAARN CCOC(=O)C1=C(C)N(C)[C@H]2C=CC(OC(=O)C(c3ccccc3)c3ccccc3)=C[C@H]12 ZINC000011565800 557200119 /nfs/dbraw/zinc/20/01/19/557200119.db2.gz IUPRIJXDPRTPLU-GOTSBHOMSA-N 0 0 429.516 4.583 50 0 IJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000025274432 557202188 /nfs/dbraw/zinc/20/21/88/557202188.db2.gz GEFFJJDWZPJCJX-UHFFFAOYSA-N 0 0 436.468 4.566 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(C)c(-c3nccn3C)s2)o1 ZINC000025455249 557210466 /nfs/dbraw/zinc/21/04/66/557210466.db2.gz GWLYSJKKYWPOKY-UHFFFAOYSA-N 0 0 444.520 4.858 50 0 IJAARN CN(C(=O)c1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1)c1ccccc1 ZINC000069946549 557212912 /nfs/dbraw/zinc/21/29/12/557212912.db2.gz SFLQXCDXDOJCIY-QHCPKHFHSA-N 0 0 433.483 4.708 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3F)n2)cc1OC ZINC000011617244 557212933 /nfs/dbraw/zinc/21/29/33/557212933.db2.gz MDLPZHRGHILLEM-UHFFFAOYSA-N 0 0 437.290 4.981 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3ccccc3C)s2)cc(OCC)c1OCC ZINC000011617407 557212970 /nfs/dbraw/zinc/21/29/70/557212970.db2.gz XMDMDARFAZRRQY-UHFFFAOYSA-N 0 0 427.526 4.962 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl ZINC000025560766 557214758 /nfs/dbraw/zinc/21/47/58/557214758.db2.gz BOJVRARLNLUTKF-GOSISDBHSA-N 0 0 444.318 4.745 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)NCc1ccccc1Cn1ccnc1 ZINC000025666153 557220957 /nfs/dbraw/zinc/22/09/57/557220957.db2.gz ZLLXAEMWALLORH-UHFFFAOYSA-N 0 0 431.923 4.947 50 0 IJAARN COCCn1c(SCc2coc(-c3ccc(Cl)cc3)n2)nnc1-c1ccncc1 ZINC000025759389 557224615 /nfs/dbraw/zinc/22/46/15/557224615.db2.gz SJGPXAZXLFEYKR-UHFFFAOYSA-N 0 0 427.917 4.587 50 0 IJAARN CCOc1cc(C(=O)Nc2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc(OCC)c1OCC ZINC000101078555 557226686 /nfs/dbraw/zinc/22/66/86/557226686.db2.gz OYWPJXRTJQWUHJ-OAHLLOKOSA-N 0 0 438.524 4.531 50 0 IJAARN O=C(Nc1cccc(C(=O)N(CCc2cccs2)Cc2cccs2)c1)[C@@H]1CCCO1 ZINC000025848180 557228429 /nfs/dbraw/zinc/22/84/29/557228429.db2.gz CFLFLEGFCLHCJW-NRFANRHFSA-N 0 0 440.590 4.812 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1nnc(-c2ccco2)s1 ZINC000024926453 557231224 /nfs/dbraw/zinc/23/12/24/557231224.db2.gz VGPJZECVASDQJG-MRVPVSSYSA-N 0 0 428.695 4.620 50 0 IJAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(C(C)(C)C)cc4)CC3)n[nH]2)cc1 ZINC000098212741 557235715 /nfs/dbraw/zinc/23/57/15/557235715.db2.gz ICAUNDUTPILOJS-UHFFFAOYSA-N 0 0 432.568 4.782 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nc2ccccc2n1CCC(C)C ZINC000032950417 557236794 /nfs/dbraw/zinc/23/67/94/557236794.db2.gz NFLWEIIDNAKYGB-UHFFFAOYSA-N 0 0 438.597 4.546 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000011001357 557237412 /nfs/dbraw/zinc/23/74/12/557237412.db2.gz DWWGUGQTLABUCX-INIZCTEOSA-N 0 0 429.476 4.912 50 0 IJAARN O=C(Cc1csc(-c2ccccn2)n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000026391528 557240487 /nfs/dbraw/zinc/24/04/87/557240487.db2.gz OHICIIKGHDBVEF-UHFFFAOYSA-N 0 0 449.557 4.814 50 0 IJAARN O=C(CSc1nccc(C(F)(F)F)n1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000026480716 557242148 /nfs/dbraw/zinc/24/21/48/557242148.db2.gz WUFGHQPXGFPSNO-LBPRGKRZSA-N 0 0 438.456 4.620 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)CCC2CCCC2)c2ccccc2)cc1 ZINC000008150653 557243923 /nfs/dbraw/zinc/24/39/23/557243923.db2.gz GPOUAHLIPCZGKQ-HSZRJFAPSA-N 0 0 429.582 4.918 50 0 IJAARN NC(=O)c1ccc(Cl)c(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000018194913 557247640 /nfs/dbraw/zinc/24/76/40/557247640.db2.gz ZRATXQJOWHATJW-UHFFFAOYSA-N 0 0 438.481 4.853 50 0 IJAARN COc1ccc([C@@H](NC(=O)NCC2(Cc3nnc4ccccn43)CCCCC2)C(C)C)cc1 ZINC000604418605 557250814 /nfs/dbraw/zinc/25/08/14/557250814.db2.gz GMUJZEKBCBFKBT-DEOSSOPVSA-N 0 0 449.599 4.927 50 0 IJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000027024667 557255996 /nfs/dbraw/zinc/25/59/96/557255996.db2.gz BCBRMQGEGSWPJR-DVQDXYAYSA-N 0 0 442.799 4.807 50 0 IJAARN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000011016729 557256216 /nfs/dbraw/zinc/25/62/16/557256216.db2.gz PEVVZUMTRSKQQC-GSTAKATQSA-N 0 0 438.568 4.648 50 0 IJAARN CC(=O)N1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CS[C@H]1c1ccc(C)cc1 ZINC000027118177 557257272 /nfs/dbraw/zinc/25/72/72/557257272.db2.gz XXUVPSTZJDJBAG-FPOVZHCZSA-N 0 0 437.392 4.623 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000027161257 557258459 /nfs/dbraw/zinc/25/84/59/557258459.db2.gz KBNSSVQXCUFXCJ-XUZZJYLKSA-N 0 0 438.543 4.830 50 0 IJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390832184 557260025 /nfs/dbraw/zinc/26/00/25/557260025.db2.gz XVKPJYHHQGDSAM-QHCPKHFHSA-N 0 0 439.508 4.620 50 0 IJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000027344540 557260626 /nfs/dbraw/zinc/26/06/26/557260626.db2.gz GFGFPPWKHHDIMN-SFHVURJKSA-N 0 0 431.319 4.667 50 0 IJAARN CCCOc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 ZINC000100531640 557263602 /nfs/dbraw/zinc/26/36/02/557263602.db2.gz ZYDJPRLMRSWXCA-JOCHJYFZSA-N 0 0 448.544 4.632 50 0 IJAARN C[C@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000027561768 557265573 /nfs/dbraw/zinc/26/55/73/557265573.db2.gz PVAMIUAGHCODQA-XHCCPWGMSA-N 0 0 449.554 4.697 50 0 IJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000012976511 557265692 /nfs/dbraw/zinc/26/56/92/557265692.db2.gz WUGQPRAKARPFHS-QGZVFWFLSA-N 0 0 426.332 4.718 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1 ZINC000101282239 557267148 /nfs/dbraw/zinc/26/71/48/557267148.db2.gz NSHLLMSXEXBWOU-UHFFFAOYSA-N 0 0 442.906 4.710 50 0 IJAARN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000000821449 557268195 /nfs/dbraw/zinc/26/81/95/557268195.db2.gz FMBSKZXOQUFZPK-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 ZINC000027752880 557273181 /nfs/dbraw/zinc/27/31/81/557273181.db2.gz OOPZNXMABVYNTR-UHFFFAOYSA-N 0 0 443.532 4.571 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)NCc1ccc(F)c(Cl)c1 ZINC000101354159 557275122 /nfs/dbraw/zinc/27/51/22/557275122.db2.gz MCHPJUUXZVCCPQ-UHFFFAOYSA-N 0 0 435.886 4.653 50 0 IJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000013076157 557275494 /nfs/dbraw/zinc/27/54/94/557275494.db2.gz LSNQPMFXHXQYEX-XCVCLJGOSA-N 0 0 448.422 4.746 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)C(Cl)(Cl)Cl ZINC000100819957 557276641 /nfs/dbraw/zinc/27/66/41/557276641.db2.gz OJUMUZPZZIYLTQ-HNNXBMFYSA-N 0 0 434.714 4.643 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014013911 557282031 /nfs/dbraw/zinc/28/20/31/557282031.db2.gz FMQVRZIWYXZTIT-UHFFFAOYSA-N 0 0 436.002 4.836 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1cccnc1 ZINC000101087198 557282715 /nfs/dbraw/zinc/28/27/15/557282715.db2.gz XXBHXEZRUKNAKU-HXUWFJFHSA-N 0 0 428.883 4.635 50 0 IJAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1cccnc1 ZINC000101087202 557282736 /nfs/dbraw/zinc/28/27/36/557282736.db2.gz XXBHXEZRUKNAKU-FQEVSTJZSA-N 0 0 428.883 4.635 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)cc2F)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101619233 557292481 /nfs/dbraw/zinc/29/24/81/557292481.db2.gz JEBIODZDDCTLLF-KRWDZBQOSA-N 0 0 428.847 4.662 50 0 IJAARN C[C@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828531 557300066 /nfs/dbraw/zinc/30/00/66/557300066.db2.gz PEDISNONBLWLPU-AWEZNQCLSA-N 0 0 444.441 4.588 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1cccnc1 ZINC000101835269 557301691 /nfs/dbraw/zinc/30/16/91/557301691.db2.gz PTDYDVJVOJZQPE-HXUWFJFHSA-N 0 0 428.883 4.635 50 0 IJAARN CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3C(Cl)(Cl)Cl)cc1 ZINC000101875627 557304403 /nfs/dbraw/zinc/30/44/03/557304403.db2.gz YIDCSLWNSCOSEK-SFHVURJKSA-N 0 0 437.714 4.665 50 0 IJAARN COc1ccc(CNC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947853 557308618 /nfs/dbraw/zinc/30/86/18/557308618.db2.gz XBFBDVNVKIMQKI-UHFFFAOYSA-N 0 0 447.560 4.547 50 0 IJAARN CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OCC ZINC000032720177 557315543 /nfs/dbraw/zinc/31/55/43/557315543.db2.gz RCBXCMGEPFQFBI-UHFFFAOYSA-N 0 0 433.508 4.596 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)NCCc1ccc(Cl)cc1 ZINC000102300865 557316029 /nfs/dbraw/zinc/31/60/29/557316029.db2.gz OJXOCTWROOOZTM-UHFFFAOYSA-N 0 0 437.952 4.618 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)[C@H]1C ZINC000102352310 557317737 /nfs/dbraw/zinc/31/77/37/557317737.db2.gz KEGWHFOVNMYEND-RVKKMQEKSA-N 0 0 449.020 4.878 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138357 557325528 /nfs/dbraw/zinc/32/55/28/557325528.db2.gz WKALIQSIQMEXPX-INIZCTEOSA-N 0 0 441.578 4.562 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3cccc(C)c3)C2)cc1 ZINC000033168881 557326304 /nfs/dbraw/zinc/32/63/04/557326304.db2.gz MNJUQCAMEIJWQK-SFHVURJKSA-N 0 0 434.565 4.800 50 0 IJAARN Cc1cc2nc(SCc3noc(CCC(=O)Nc4c(F)cccc4F)n3)[nH]c2cc1C ZINC000033271030 557328649 /nfs/dbraw/zinc/32/86/49/557328649.db2.gz HVSIHDODFUSDRX-UHFFFAOYSA-N 0 0 443.479 4.705 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cccc(Cl)c2C)c3=O)cc1 ZINC000033277722 557329130 /nfs/dbraw/zinc/32/91/30/557329130.db2.gz SWGODTQMWFJXTH-UHFFFAOYSA-N 0 0 436.899 4.605 50 0 IJAARN CCCCOc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000033502538 557337036 /nfs/dbraw/zinc/33/70/36/557337036.db2.gz OLZJKHMEYYZVOA-SFQUDFHCSA-N 0 0 430.298 4.981 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000033630919 557340500 /nfs/dbraw/zinc/34/05/00/557340500.db2.gz OKVXELGWFBMVRX-UHFFFAOYSA-N 0 0 434.521 4.582 50 0 IJAARN CCOc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102529800 557340949 /nfs/dbraw/zinc/34/09/49/557340949.db2.gz GQQYNAMCHARJKW-UHFFFAOYSA-N 0 0 431.467 4.721 50 0 IJAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)NCCc1ccc(Cl)cc1 ZINC000102529948 557341160 /nfs/dbraw/zinc/34/11/60/557341160.db2.gz UAMNWSFXHOHTEU-UHFFFAOYSA-N 0 0 449.913 4.696 50 0 IJAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102530236 557341755 /nfs/dbraw/zinc/34/17/55/557341755.db2.gz LYPGZPLERJSYPA-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN O=C(c1cccc2c1OCCO2)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023427102 557353696 /nfs/dbraw/zinc/35/36/96/557353696.db2.gz SKBHRXGAJCGHKV-DEOSSOPVSA-N 0 0 448.950 4.659 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000023440945 557357957 /nfs/dbraw/zinc/35/79/57/557357957.db2.gz XXCWGXDNZRTJAF-RUZDIDTESA-N 0 0 433.504 4.509 50 0 IJAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102669748 557362874 /nfs/dbraw/zinc/36/28/74/557362874.db2.gz JEJYFVLRXKTNRC-HOYKHHGWSA-N 0 0 430.508 4.977 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cc(OC)ccc3OC)C2)cc1 ZINC000102753065 557383508 /nfs/dbraw/zinc/38/35/08/557383508.db2.gz OPKCENXLSILZCK-PEBXRYMYSA-N 0 0 448.479 4.724 50 0 IJAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102759769 557384124 /nfs/dbraw/zinc/38/41/24/557384124.db2.gz YHWRGPPHBFCXQM-DNVJHFABSA-N 0 0 448.906 4.790 50 0 IJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@H]1c1cccs1 ZINC000023936648 557387700 /nfs/dbraw/zinc/38/77/00/557387700.db2.gz DLOZVYURQJFVFG-QFIPXVFZSA-N 0 0 445.588 4.619 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)c1 ZINC000011693797 557391950 /nfs/dbraw/zinc/39/19/50/557391950.db2.gz RYUPKZGTMOSSDR-UHFFFAOYSA-N 0 0 426.523 4.635 50 0 IJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCc1occc1C(=O)OC ZINC000024039698 557393229 /nfs/dbraw/zinc/39/32/29/557393229.db2.gz PYZJTZVTMCTSPI-UHFFFAOYSA-N 0 0 446.579 4.872 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000013845244 557395512 /nfs/dbraw/zinc/39/55/12/557395512.db2.gz CYDVAFHDFQJXQL-UHFFFAOYSA-N 0 0 446.878 4.704 50 0 IJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000004903573 557402955 /nfs/dbraw/zinc/40/29/55/557402955.db2.gz CLWNZAUUNSQBRZ-JOCHJYFZSA-N 0 0 425.532 4.940 50 0 IJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000004903530 557403112 /nfs/dbraw/zinc/40/31/12/557403112.db2.gz JVKYUBJJYUFAAC-JOCHJYFZSA-N 0 0 425.532 4.940 50 0 IJAARN CSc1nc2ccc(NS(=O)(=O)c3ccc(Br)c(C)c3)cc2s1 ZINC000014075453 557420195 /nfs/dbraw/zinc/42/01/95/557420195.db2.gz UXMQRELRADXIOW-UHFFFAOYSA-N 0 0 429.386 4.890 50 0 IJAARN COc1ccc(C(=O)N(CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)CC(C)C)cc1 ZINC000033609913 557421608 /nfs/dbraw/zinc/42/16/08/557421608.db2.gz RWSRCNYBLLYSSJ-UHFFFAOYSA-N 0 0 448.563 4.924 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103298789 557433829 /nfs/dbraw/zinc/43/38/29/557433829.db2.gz VAGBWCOECHETHL-FHWLQOOXSA-N 0 0 435.593 4.715 50 0 IJAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000024525711 557439817 /nfs/dbraw/zinc/43/98/17/557439817.db2.gz KXRYIILUFAQPOC-OAQYLSRUSA-N 0 0 449.576 4.798 50 0 IJAARN COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccc[nH]3)o2)cs1 ZINC000018366593 557498772 /nfs/dbraw/zinc/49/87/72/557498772.db2.gz AIHQHZFKALOEPZ-UHFFFAOYSA-N 0 0 427.511 4.507 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000105631912 557509650 /nfs/dbraw/zinc/50/96/50/557509650.db2.gz YAJBWTDBXLOXGX-HKUYNNGSSA-N 0 0 426.582 4.758 50 0 IJAARN Cc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)o1 ZINC000085786766 557516886 /nfs/dbraw/zinc/51/68/86/557516886.db2.gz SQJOYCWMDGMIFV-OAHLLOKOSA-N 0 0 427.932 4.527 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000047146905 557517962 /nfs/dbraw/zinc/51/79/62/557517962.db2.gz IKJBCEYIMZPJDR-UHFFFAOYSA-N 0 0 426.586 4.614 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000106389884 557528511 /nfs/dbraw/zinc/52/85/11/557528511.db2.gz KSWGZGQBSSGZMU-CTNGQTDRSA-N 0 0 446.551 4.680 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)cc1 ZINC000106389760 557528580 /nfs/dbraw/zinc/52/85/80/557528580.db2.gz LYRHOWUIIYQDRL-FYYLOGMGSA-N 0 0 444.579 4.931 50 0 IJAARN Cc1ccccc1-c1nc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC000107539058 557535990 /nfs/dbraw/zinc/53/59/90/557535990.db2.gz KMJGPDCFGSQZBB-VQTJNVASSA-N 0 0 426.561 4.799 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccccc2OCC)C1 ZINC000044803829 557537373 /nfs/dbraw/zinc/53/73/73/557537373.db2.gz RKEVVJWVFPTKTD-SFHVURJKSA-N 0 0 434.540 4.672 50 0 IJAARN O=C(c1ccc(Br)o1)N1N=C(c2ccco2)C[C@@H]1c1ccc2nccnc2c1 ZINC000044894106 557540209 /nfs/dbraw/zinc/54/02/09/557540209.db2.gz SKHNSIABACEABZ-MRXNPFEDSA-N 0 0 437.253 4.570 50 0 IJAARN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CCO1 ZINC000108170514 557541802 /nfs/dbraw/zinc/54/18/02/557541802.db2.gz MSCMJAOKTIGABD-ZFMISHDWSA-N 0 0 444.616 4.569 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000044974431 557542239 /nfs/dbraw/zinc/54/22/39/557542239.db2.gz QDHVLYGLFOXILX-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CC(C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000109130917 557545581 /nfs/dbraw/zinc/54/55/81/557545581.db2.gz LKIYDCMHUIOJMY-IBGZPJMESA-N 0 0 444.329 4.529 50 0 IJAARN C[C@H](CNC(=O)C1CCN(c2ccc(Sc3ccccc3)nn2)CC1)c1ccccc1 ZINC000045921617 557547535 /nfs/dbraw/zinc/54/75/35/557547535.db2.gz YHSZKFYDBFWHQS-LJQANCHMSA-N 0 0 432.593 4.764 50 0 IJAARN CC[C@@H](C)NC(=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921485 557547610 /nfs/dbraw/zinc/54/76/10/557547610.db2.gz IKUGCQPEXDYEMT-CQSZACIVSA-N 0 0 449.418 4.521 50 0 IJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC ZINC000045942592 557551992 /nfs/dbraw/zinc/55/19/92/557551992.db2.gz MZBGPNYLETVHQY-DEOSSOPVSA-N 0 0 433.479 4.938 50 0 IJAARN CCOC(=O)c1cc(Br)cc(CC)c1NC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000225474823 557727036 /nfs/dbraw/zinc/72/70/36/557727036.db2.gz NJEMMDHSPWUYRA-UHFFFAOYSA-N 0 0 448.313 4.861 50 0 IJAARN CC(C)n1ncnc1CNc1cc(C(F)(F)F)nc2c(F)cc(Br)cc12 ZINC000225533983 557737766 /nfs/dbraw/zinc/73/77/66/557737766.db2.gz ILTXRIGBDVQFAP-UHFFFAOYSA-N 0 0 432.219 4.940 50 0 IJAARN CC(C)(C)OC(=O)NCc1cc(NC(=O)[C@H]2CCCc3n[nH]cc32)cc(C(F)(F)F)c1 ZINC000225629074 557754164 /nfs/dbraw/zinc/75/41/64/557754164.db2.gz JLPBNKKXTBZTPV-HNNXBMFYSA-N 0 0 438.450 4.512 50 0 IJAARN O=C(NCCO)c1ccc(NCc2ccc(-c3cccc(Br)c3)s2)cc1 ZINC000225642270 557755879 /nfs/dbraw/zinc/75/58/79/557755879.db2.gz WKIZEWAFQMKUKP-UHFFFAOYSA-N 0 0 431.355 4.512 50 0 IJAARN CC[C@H](C)n1nc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000225742381 557771616 /nfs/dbraw/zinc/77/16/16/557771616.db2.gz QGVAALSMWBKZKN-VIFPVBQESA-N 0 0 436.356 4.777 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000024985925 557828912 /nfs/dbraw/zinc/82/89/12/557828912.db2.gz QOEWITDZCMRHEL-HXUWFJFHSA-N 0 0 436.577 4.953 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC ZINC000229694523 557833028 /nfs/dbraw/zinc/83/30/28/557833028.db2.gz YAJBWTDBXLOXGX-MJGOQNOKSA-N 0 0 426.582 4.758 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1)[C@H]1CCC[C@@H](C)C1 ZINC000229811796 557833306 /nfs/dbraw/zinc/83/33/06/557833306.db2.gz JLEBFQJWRSAQSZ-HFJQGTKSSA-N 0 0 449.551 4.574 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3N2)cc1 ZINC000000866106 557839480 /nfs/dbraw/zinc/83/94/80/557839480.db2.gz XKZBOHYKZZVXLD-KXBFYZLASA-N 0 0 446.429 4.818 50 0 IJAARN COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000000866286 557839740 /nfs/dbraw/zinc/83/97/40/557839740.db2.gz GZOSEWSRYVKEAE-UHFFFAOYSA-N 0 0 434.355 4.838 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000015001564 557844329 /nfs/dbraw/zinc/84/43/29/557844329.db2.gz YAIFHWJBBDRKKN-UHFFFAOYSA-N 0 0 435.423 4.741 50 0 IJAARN COc1ccc(OC)c(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc(N(C)C)c3)C2)c1 ZINC000242339401 557847748 /nfs/dbraw/zinc/84/77/48/557847748.db2.gz ZHNMPQGHVNOWFE-OAQYLSRUSA-N 0 0 435.549 4.823 50 0 IJAARN Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000000878154 557848700 /nfs/dbraw/zinc/84/87/00/557848700.db2.gz XDTWSXYZNPROIN-UHFFFAOYSA-N 0 0 449.502 4.794 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccc(OC)cc1)C[C@H]2C(F)(F)F ZINC000244673701 557849408 /nfs/dbraw/zinc/84/94/08/557849408.db2.gz HUAPZXHZEINKAL-MNEFBYGVSA-N 0 0 436.478 4.957 50 0 IJAARN CC(C)c1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000245294784 557850010 /nfs/dbraw/zinc/85/00/10/557850010.db2.gz AFJANWBPFDEJLC-YRKFHGTDSA-N 0 0 446.584 4.533 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 ZINC000000883924 557854563 /nfs/dbraw/zinc/85/45/63/557854563.db2.gz BUSNWXJYWZZPDD-UHFFFAOYSA-N 0 0 449.454 4.910 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)Cc2ccccc2)cc1 ZINC000000885184 557854709 /nfs/dbraw/zinc/85/47/09/557854709.db2.gz ILHPMHYOHUQFFW-UHFFFAOYSA-N 0 0 436.577 4.948 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 ZINC000000884337 557854713 /nfs/dbraw/zinc/85/47/13/557854713.db2.gz TVEXXCALKWRGSH-RTBURBONSA-N 0 0 446.429 4.813 50 0 IJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001094930 562920436 /nfs/dbraw/zinc/92/04/36/562920436.db2.gz IAUBLRDIGPEBCU-UHFFFAOYSA-N 0 0 433.507 4.541 50 0 IJAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OC4CCCCC4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000001420859 562921823 /nfs/dbraw/zinc/92/18/23/562921823.db2.gz DSMBQMULATTZDV-OAHLLOKOSA-N 0 0 441.524 4.751 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c(C)c1 ZINC000001784949 562924643 /nfs/dbraw/zinc/92/46/43/562924643.db2.gz NWNPQCQQUIQTQQ-INIZCTEOSA-N 0 0 438.597 4.568 50 0 IJAARN CCCc1nc2sc3c(ncnc3SCC(=O)NCc3ccco3)c2c2c1CCC2 ZINC000002411848 562927473 /nfs/dbraw/zinc/92/74/73/562927473.db2.gz ROVCYKXDPUSVNC-UHFFFAOYSA-N 0 0 438.578 4.682 50 0 IJAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1NC[C@H]1CCCO1 ZINC000002417140 562927542 /nfs/dbraw/zinc/92/75/42/562927542.db2.gz DORNVAFGAGAUGV-CYBMUJFWSA-N 0 0 436.537 4.942 50 0 IJAARN CC(C)N(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C ZINC000002625860 562928674 /nfs/dbraw/zinc/92/86/74/562928674.db2.gz DXTADVUDADEFMK-UHFFFAOYSA-N 0 0 444.000 4.836 50 0 IJAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000002649354 562929235 /nfs/dbraw/zinc/92/92/35/562929235.db2.gz CMESBGDQHPKECY-INIZCTEOSA-N 0 0 425.916 4.640 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C[C@@H](C)c3ccccc3)o2)c1C ZINC000002662758 562929677 /nfs/dbraw/zinc/92/96/77/562929677.db2.gz QVZZYLFPFCGQLO-CYBMUJFWSA-N 0 0 427.526 4.512 50 0 IJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000002721949 562930027 /nfs/dbraw/zinc/93/00/27/562930027.db2.gz GVTWMDLKUIVOEG-UHFFFAOYSA-N 0 0 440.496 4.793 50 0 IJAARN O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F ZINC000003023616 562931784 /nfs/dbraw/zinc/93/17/84/562931784.db2.gz NGRBCSVSWPQULH-UHFFFAOYSA-N 0 0 442.915 4.872 50 0 IJAARN CCOC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003026160 562931845 /nfs/dbraw/zinc/93/18/45/562931845.db2.gz WNOQJCSZGCKQKH-UHFFFAOYSA-N 0 0 443.952 4.908 50 0 IJAARN CCOc1ccccc1NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000003438632 562935846 /nfs/dbraw/zinc/93/58/46/562935846.db2.gz MDFFLBAPBNRUMO-UHFFFAOYSA-N 0 0 438.549 4.618 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCc2ccccc2C1 ZINC000003465740 562936134 /nfs/dbraw/zinc/93/61/34/562936134.db2.gz PHWHDKFJPXZJCY-UHFFFAOYSA-N 0 0 446.601 4.732 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)c1 ZINC000006348618 562946661 /nfs/dbraw/zinc/94/66/61/562946661.db2.gz ZHJUSQNIRQGNAG-QHCPKHFHSA-N 0 0 435.549 4.558 50 0 IJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)o2)cc1 ZINC000006895769 562948536 /nfs/dbraw/zinc/94/85/36/562948536.db2.gz KYAAEDONPATQPY-SSEXGKCCSA-N 0 0 425.550 4.754 50 0 IJAARN COc1ccc2c(C[NH2+]CCc3ccccc3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000008583910 562949970 /nfs/dbraw/zinc/94/99/70/562949970.db2.gz SPKTVCQUWBOKSY-UHFFFAOYSA-N 0 0 432.495 4.868 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc3c(c1)OCO3)cn2Cc1ccc(Cl)cc1 ZINC000008598503 562954334 /nfs/dbraw/zinc/95/43/34/562954334.db2.gz BACQURYVVIRMFV-UHFFFAOYSA-N 0 0 431.875 4.971 50 0 aggregator IJAARN CCc1cccc2sc(N3CCN(C(=O)c4cc5ccccc5cc4OC)CC3)nc21 ZINC000008601730 562955591 /nfs/dbraw/zinc/95/55/91/562955591.db2.gz MVUZPCKKGCIAPX-UHFFFAOYSA-N 0 0 431.561 4.983 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000008602015 562955785 /nfs/dbraw/zinc/95/57/85/562955785.db2.gz OJFDQUJIYMHZMB-UHFFFAOYSA-N 0 0 434.923 4.872 50 0 IJAARN Cc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(n3)sc3c4CCCC3)c2)cc1 ZINC000008603836 562956101 /nfs/dbraw/zinc/95/61/01/562956101.db2.gz JAVYDQRTHIKQCK-UHFFFAOYSA-N 0 0 445.544 4.775 50 0 IJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000008604523 562956371 /nfs/dbraw/zinc/95/63/71/562956371.db2.gz OLLMVMFBEQBOTE-QFIPXVFZSA-N 0 0 446.528 4.682 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000008609126 562957626 /nfs/dbraw/zinc/95/76/26/562957626.db2.gz OVPVUAVHFNBXBF-GOSISDBHSA-N 0 0 445.950 4.854 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000008609384 562957789 /nfs/dbraw/zinc/95/77/89/562957789.db2.gz ABUWUFLJEDHAGO-UHFFFAOYSA-N 0 0 431.920 4.517 50 0 IJAARN CCOc1ccc(CCNC(=O)c2sc3ncccc3c2-n2cccc2)cc1OCC ZINC000008610754 562958273 /nfs/dbraw/zinc/95/82/73/562958273.db2.gz ZZNAJXTYNILVPQ-UHFFFAOYSA-N 0 0 435.549 4.857 50 0 IJAARN COc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000008611244 562958495 /nfs/dbraw/zinc/95/84/95/562958495.db2.gz DQGWHGARQPPJCI-UHFFFAOYSA-N 0 0 433.552 4.633 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)cc1 ZINC000008611519 562958613 /nfs/dbraw/zinc/95/86/13/562958613.db2.gz OPXYDJFEXMMUFF-UHFFFAOYSA-N 0 0 436.556 4.860 50 0 IJAARN CCOCCCNC(=O)c1c2c(sc1NC(=O)Cc1coc3ccc(C)cc13)CCC2 ZINC000008611958 562958844 /nfs/dbraw/zinc/95/88/44/562958844.db2.gz OWBIQWCJPVCSNJ-UHFFFAOYSA-N 0 0 440.565 4.629 50 0 IJAARN CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 ZINC000008656526 562960303 /nfs/dbraw/zinc/96/03/03/562960303.db2.gz OEKLOWQFBYIIJG-UHFFFAOYSA-N 0 0 448.426 4.737 50 0 IJAARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000008683892 562962077 /nfs/dbraw/zinc/96/20/77/562962077.db2.gz ZXXIMOHQGSAHOD-UHFFFAOYSA-N 0 0 427.485 4.869 50 0 aggregator IJAARN O=C(COC(=O)CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000008686326 562962815 /nfs/dbraw/zinc/96/28/15/562962815.db2.gz ASDAEQIPDUIWMU-UHFFFAOYSA-N 0 0 433.895 4.793 50 0 IJAARN CCc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc32)c1 ZINC000009116926 562967318 /nfs/dbraw/zinc/96/73/18/562967318.db2.gz IXDGVZGFSYTUMK-UHFFFAOYSA-N 0 0 449.561 4.786 50 0 IJAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000009465979 562971637 /nfs/dbraw/zinc/97/16/37/562971637.db2.gz IJNQLPFYDYWLQX-UQBPGWFLSA-N 0 0 426.291 4.782 50 0 IJAARN CC1=Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2Sc2ccc(Br)cc21 ZINC000009608205 562973999 /nfs/dbraw/zinc/97/39/99/562973999.db2.gz AZKFHJJOCFLONG-HNNXBMFYSA-N 0 0 431.355 4.963 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(s1)CSc1ccccc1-2 ZINC000010218960 562978518 /nfs/dbraw/zinc/97/85/18/562978518.db2.gz DINRZKDZFCFKJU-UHFFFAOYSA-N 0 0 448.566 4.748 50 0 IJAARN FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(Br)s2)Nc2ncnn21 ZINC000013123486 562984735 /nfs/dbraw/zinc/98/47/35/562984735.db2.gz QZZMMQOWOHYVHE-WDEREUQCSA-N 0 0 427.274 4.850 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)ccc1F ZINC000015942503 563019678 /nfs/dbraw/zinc/01/96/78/563019678.db2.gz FJAAADCGZCPQJS-UHFFFAOYSA-N 0 0 430.501 4.786 50 0 IJAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000019939361 563023356 /nfs/dbraw/zinc/02/33/56/563023356.db2.gz SFBOZNPJZNZJQL-QHCPKHFHSA-N 0 0 443.469 4.605 50 0 IJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985197 568623604 /nfs/dbraw/zinc/62/36/04/568623604.db2.gz PMUPHGFSKUWINQ-DNQXCXABSA-N 0 0 448.538 4.569 50 0 IJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2OC)c1 ZINC000248181823 568634360 /nfs/dbraw/zinc/63/43/60/568634360.db2.gz DTWIAOWCRRLBAN-LVXARBLLSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000000900245 568636115 /nfs/dbraw/zinc/63/61/15/568636115.db2.gz IVVNAZHRVVWHST-GOSISDBHSA-N 0 0 429.549 4.816 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(OC)cc2)cc1 ZINC000000917746 568637130 /nfs/dbraw/zinc/63/71/30/568637130.db2.gz SQZYHUYXUGKOMV-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN O=C1C(Cl)=C(Nc2cccc(Br)c2)C(=O)N1Cc1ccccc1Cl ZINC000000938212 568639304 /nfs/dbraw/zinc/63/93/04/568639304.db2.gz XAUMUFUCGFBXEL-UHFFFAOYSA-N 0 0 426.097 4.534 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)OCC(=O)c1ccccc1 ZINC000000938555 568639367 /nfs/dbraw/zinc/63/93/67/568639367.db2.gz QELCZGUAHYELJE-UHFFFAOYSA-N 0 0 435.530 4.514 50 0 IJAARN COc1ccc(Oc2coc3cc(OC(=O)c4c(OC)cccc4OC)ccc3c2=O)cc1 ZINC000000940498 568641652 /nfs/dbraw/zinc/64/16/52/568641652.db2.gz WXAMOFZBLNSHOI-UHFFFAOYSA-N 0 0 448.427 4.830 50 0 biogenic IJAARN COc1cc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc(OC)c1OC ZINC000000952295 568645617 /nfs/dbraw/zinc/64/56/17/568645617.db2.gz SMNVMFJHMWFQOC-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=S)N1 ZINC000000956695 568645914 /nfs/dbraw/zinc/64/59/14/568645914.db2.gz GAKWDJFLCCNLJM-HSZRJFAPSA-N 0 0 429.545 4.697 50 0 IJAARN CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCC2 ZINC000000984192 568649082 /nfs/dbraw/zinc/64/90/82/568649082.db2.gz ISOQDZVGKQQRIT-UHFFFAOYSA-N 0 0 427.444 4.840 50 0 IJAARN COc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc(Br)c1OC ZINC000000995957 568649337 /nfs/dbraw/zinc/64/93/37/568649337.db2.gz PEJBZYSBFPLSAH-WQRHYEAKSA-N 0 0 438.277 4.964 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000001002438 568650710 /nfs/dbraw/zinc/65/07/10/568650710.db2.gz KXJWTQKSXUBXFN-IRXDYDNUSA-N 0 0 428.579 4.740 50 0 IJAARN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 ZINC000001060072 568655400 /nfs/dbraw/zinc/65/54/00/568655400.db2.gz LTIXVNONCOALAI-DEOSSOPVSA-N 0 0 427.504 4.953 50 0 biogenic IJAARN COc1ccc(CCNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1OC ZINC000001078017 568656810 /nfs/dbraw/zinc/65/68/10/568656810.db2.gz JDRANMLJADVOAH-UHFFFAOYSA-N 0 0 435.549 4.694 50 0 IJAARN COc1ccc(CCN2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2cccc(F)c2)cc1OC ZINC000001080588 568657174 /nfs/dbraw/zinc/65/71/74/568657174.db2.gz MQFIOSFTESMZDR-DQEYMECFSA-N 0 0 435.495 4.725 50 0 IJAARN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)c1ccc2c(c1)OCO2 ZINC000001105090 568660456 /nfs/dbraw/zinc/66/04/56/568660456.db2.gz VHMOCXMETUYJEX-UHFFFAOYSA-N 0 0 429.910 4.815 50 0 IJAARN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000261493617 568734869 /nfs/dbraw/zinc/73/48/69/568734869.db2.gz FYDKNFPLRQXHTF-UHFFFAOYSA-N 0 0 438.387 4.981 50 0 IJAARN O=C(Cc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)NCC(F)(F)F ZINC000044035874 568746245 /nfs/dbraw/zinc/74/62/45/568746245.db2.gz PTHARSYGRDVOJM-UHFFFAOYSA-N 0 0 440.421 4.784 50 0 IJAARN CN(Cc1cccs1)C(=O)c1cc(Cl)cc(Cl)c1I ZINC000003353640 568746922 /nfs/dbraw/zinc/74/69/22/568746922.db2.gz AKJSULXGWAYQLY-UHFFFAOYSA-N 0 0 426.106 4.932 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000044087019 568748137 /nfs/dbraw/zinc/74/81/37/568748137.db2.gz SGNOJWUOYCWPIQ-UHFFFAOYSA-N 0 0 425.529 4.792 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2-c2ccc(C)cc2)c1 ZINC000003427224 568748914 /nfs/dbraw/zinc/74/89/14/568748914.db2.gz FDXGVNRVRRJQRL-UHFFFAOYSA-N 0 0 436.581 4.602 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2C)cc1 ZINC000012569821 568750342 /nfs/dbraw/zinc/75/03/42/568750342.db2.gz AVZKJHJAGRORFH-UHFFFAOYSA-N 0 0 438.593 4.803 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nc2ccccc2c1=O ZINC000003544750 568750634 /nfs/dbraw/zinc/75/06/34/568750634.db2.gz YVKZXGPUECKLQE-SFHVURJKSA-N 0 0 441.556 4.764 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(Br)cc3)cc2)c1 ZINC000003582238 568751405 /nfs/dbraw/zinc/75/14/05/568751405.db2.gz DNXGUKLKVMPNIY-UHFFFAOYSA-N 0 0 449.308 4.958 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3ncccc3c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586464 568759456 /nfs/dbraw/zinc/75/94/56/568759456.db2.gz URUFYINOAITKGG-DEOSSOPVSA-N 0 0 436.515 4.971 50 0 biogenic IJAARN O=C1C[C@@H](c2ccc3nccnc3c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc32)O1 ZINC000263588098 568760939 /nfs/dbraw/zinc/76/09/39/568760939.db2.gz PBLGLUPCAIVVOC-KRWDZBQOSA-N 0 0 438.414 4.983 50 0 IJAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC000263588902 568761252 /nfs/dbraw/zinc/76/12/52/568761252.db2.gz ZPEUDWKSOGFZIW-NRFANRHFSA-N 0 0 444.535 4.801 50 0 IJAARN Cc1nc2c(cc(OS(=O)(=O)c3ccc4oc(=O)ccc4c3)c3ccsc32)s1 ZINC000025672038 568774839 /nfs/dbraw/zinc/77/48/39/568774839.db2.gz ALDYGHWIHURUMN-UHFFFAOYSA-N 0 0 429.500 4.694 50 0 IJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)cc3CO2)cc1 ZINC000263616332 568776599 /nfs/dbraw/zinc/77/65/99/568776599.db2.gz ICRRFAZCDOSVNG-LJQANCHMSA-N 0 0 442.397 4.899 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263617859 568777425 /nfs/dbraw/zinc/77/74/25/568777425.db2.gz QCCZREBWQCOMCO-UHFFFAOYSA-N 0 0 440.421 4.879 50 0 IJAARN COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 ZINC000001296533 568778733 /nfs/dbraw/zinc/77/87/33/568778733.db2.gz ZTVWMKIIKPIBBX-UHFFFAOYSA-N 0 0 446.619 4.589 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000032101004 568780603 /nfs/dbraw/zinc/78/06/03/568780603.db2.gz OVMMDXWEQLLMBR-LLVKDONJSA-N 0 0 436.672 4.649 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000032101001 568780636 /nfs/dbraw/zinc/78/06/36/568780636.db2.gz OVMMDXWEQLLMBR-NSHDSACASA-N 0 0 436.672 4.649 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccccc2F)cc1 ZINC000045942125 568783624 /nfs/dbraw/zinc/78/36/24/568783624.db2.gz GMKCROIVZMSGCX-DEOSSOPVSA-N 0 0 449.478 4.904 50 0 IJAARN CCOC(=O)c1cnn(-c2nc(-c3ccc(Br)cc3)cs2)c1C(F)(F)F ZINC000001398881 568785690 /nfs/dbraw/zinc/78/56/90/568785690.db2.gz IJJFXUJAHBJWMW-UHFFFAOYSA-N 0 0 446.248 4.954 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000001400364 568786133 /nfs/dbraw/zinc/78/61/33/568786133.db2.gz PJSSPOCCRGSCGQ-UHFFFAOYSA-N 0 0 446.322 4.543 50 0 IJAARN CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(CC)cc2)C3=O)cc1 ZINC000001118188 568788035 /nfs/dbraw/zinc/78/80/35/568788035.db2.gz MBBLMAWLBCGCHQ-UHFFFAOYSA-N 0 0 441.483 4.652 50 0 IJAARN Cc1nn(C)c(C(=O)Nc2ccc3c(c2)sc(C(=O)N2CCCC2)c3Cl)c1Cl ZINC000002786189 568789326 /nfs/dbraw/zinc/78/93/26/568789326.db2.gz KYGZNPFZFVKKOF-UHFFFAOYSA-N 0 0 437.352 4.738 50 0 IJAARN COc1ccc(-n2c(CN[C@H](c3c(C)nn(C)c3C)C(F)(F)F)nc3ccccc32)cc1 ZINC000084011944 568789846 /nfs/dbraw/zinc/78/98/46/568789846.db2.gz IXSHQNQEVWBOST-JOCHJYFZSA-N 0 0 443.473 4.778 50 0 IJAARN Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4F)ccc3C)ccc2o1 ZINC000015543128 568797539 /nfs/dbraw/zinc/79/75/39/568797539.db2.gz DVEHGOAFSPKLIX-UHFFFAOYSA-N 0 0 439.468 4.637 50 0 IJAARN O=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000084405334 568797776 /nfs/dbraw/zinc/79/77/76/568797776.db2.gz IUQSHRDIQKHRPX-ZWKOTPCHSA-N 0 0 433.335 4.680 50 0 IJAARN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000084393616 568797828 /nfs/dbraw/zinc/79/78/28/568797828.db2.gz AEIRQZXDMWSOLE-MRXNPFEDSA-N 0 0 445.235 4.795 50 0 IJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000015669152 568801665 /nfs/dbraw/zinc/80/16/65/568801665.db2.gz WJAIYCVKDRWVBV-UHFFFAOYSA-N 0 0 437.931 4.670 50 0 IJAARN CCCCN1C=C(OC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O ZINC000015669463 568801939 /nfs/dbraw/zinc/80/19/39/568801939.db2.gz FHFAFHZKFCNLBY-UHFFFAOYSA-N 0 0 437.517 4.565 50 0 IJAARN CCCN1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2CCc2ccccc2)C1=O ZINC000015670816 568802274 /nfs/dbraw/zinc/80/22/74/568802274.db2.gz JMKQQPBQHGFKLH-HSZRJFAPSA-N 0 0 437.543 4.722 50 0 IJAARN COc1ccc(Br)cc1CNC(=O)c1cnc(SC)nc1-c1ccccc1 ZINC000015681119 568806390 /nfs/dbraw/zinc/80/63/90/568806390.db2.gz KVFJVAWSXSFNPI-UHFFFAOYSA-N 0 0 444.354 4.567 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000015700645 568807529 /nfs/dbraw/zinc/80/75/29/568807529.db2.gz NKAWCBDFTONRKN-UHFFFAOYSA-N 0 0 441.911 4.875 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219193194 568812119 /nfs/dbraw/zinc/81/21/19/568812119.db2.gz RPJVEEURKCBQEW-IBGZPJMESA-N 0 0 440.348 4.808 50 0 IJAARN C[C@@H](c1ccccc1)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015731054 568814458 /nfs/dbraw/zinc/81/44/58/568814458.db2.gz DAXMTEDRXKHEIR-INIZCTEOSA-N 0 0 442.562 4.666 50 0 IJAARN CCOc1ccc([C@H]2c3c([nH]nc3-c3cccc(OC)c3)C(=O)N2CCCOC(C)C)cc1 ZINC000085409654 568817870 /nfs/dbraw/zinc/81/78/70/568817870.db2.gz CQYDPNCNLOXLFP-VWLOTQADSA-N 0 0 449.551 4.844 50 0 IJAARN Cc1c2ccccc2n(Cc2ccccc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000035080478 568820226 /nfs/dbraw/zinc/82/02/26/568820226.db2.gz CMUPMJJBTNOJDK-UHFFFAOYSA-N 0 0 437.499 4.623 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006080371 568821781 /nfs/dbraw/zinc/82/17/81/568821781.db2.gz UBSOJGIVSVNWFS-UHFFFAOYSA-N 0 0 430.614 4.715 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C ZINC000006083116 568821939 /nfs/dbraw/zinc/82/19/39/568821939.db2.gz IFOVNTDNKJQRCZ-QFIPXVFZSA-N 0 0 428.598 4.719 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(C)c(F)c1)CC2 ZINC000015781720 568826189 /nfs/dbraw/zinc/82/61/89/568826189.db2.gz VUNCUSVEWOJJGR-FQEVSTJZSA-N 0 0 444.503 4.626 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(C)c4)ccc3=O)cc2)cc1 ZINC000085609841 568828094 /nfs/dbraw/zinc/82/80/94/568828094.db2.gz QOMOBGFISHIGAF-UHFFFAOYSA-N 0 0 425.488 4.681 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1Cl ZINC000085649125 568830741 /nfs/dbraw/zinc/83/07/41/568830741.db2.gz QXAYWJMUGOXVHK-UHFFFAOYSA-N 0 0 436.943 4.969 50 0 IJAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCc2cccc(Br)c2)o1 ZINC000085653631 568831908 /nfs/dbraw/zinc/83/19/08/568831908.db2.gz QKNLDRZHQJVBLK-UHFFFAOYSA-N 0 0 426.270 4.792 50 0 IJAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCc2cccc(Br)c2)o1 ZINC000085653664 568832185 /nfs/dbraw/zinc/83/21/85/568832185.db2.gz UQFGNSHRLKLHDD-UHFFFAOYSA-N 0 0 426.270 4.792 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cc(F)ccc2F)c1C ZINC000085712209 568835341 /nfs/dbraw/zinc/83/53/41/568835341.db2.gz DRLVVKLOKRFIKA-UHFFFAOYSA-N 0 0 431.439 4.914 50 0 IJAARN Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000019288576 568836928 /nfs/dbraw/zinc/83/69/28/568836928.db2.gz ZTVSYYFOJXBPMX-INIZCTEOSA-N 0 0 448.905 4.689 50 0 IJAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000101786961 568837217 /nfs/dbraw/zinc/83/72/17/568837217.db2.gz SATUNPTUJFOSJI-XDZVQPMWSA-N 0 0 437.495 4.855 50 0 IJAARN COc1cccc(CN2CC[C@@H]([N@H+](C)[C@H](C)c3cc(-c4ccccc4)n[nH]3)CCC2=O)c1 ZINC000104846236 568837335 /nfs/dbraw/zinc/83/73/35/568837335.db2.gz DRFLMNULGKRQTG-KNQAVFIVSA-N 0 0 432.568 4.659 50 0 IJAARN CCOc1ccc(NC(=O)COc2cc(CSc3nc(C)cs3)ncc2OC)cc1 ZINC000015823796 568840242 /nfs/dbraw/zinc/84/02/42/568840242.db2.gz BOBOXPQBVBFZFG-UHFFFAOYSA-N 0 0 445.566 4.564 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(-c2ccc(F)cc2)cs1 ZINC000025694727 568842734 /nfs/dbraw/zinc/84/27/34/568842734.db2.gz ZKERBCHQBFCHNR-UHFFFAOYSA-N 0 0 429.513 4.915 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000015859763 568847742 /nfs/dbraw/zinc/84/77/42/568847742.db2.gz CKAPTPVSRWWQIR-QHCPKHFHSA-N 0 0 432.549 4.607 50 0 IJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000006156078 568848171 /nfs/dbraw/zinc/84/81/71/568848171.db2.gz VAMYRYWJYPLDBF-AZIODVPDSA-N 0 0 426.601 4.561 50 0 IJAARN CCOc1ccccc1CNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000015863494 568849236 /nfs/dbraw/zinc/84/92/36/568849236.db2.gz NNMJLLARWVTKAA-UHFFFAOYSA-N 0 0 427.526 4.791 50 0 IJAARN COc1ccc(CC(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1OC ZINC000015863578 568849237 /nfs/dbraw/zinc/84/92/37/568849237.db2.gz BVUTXINPFXKSAW-UHFFFAOYSA-N 0 0 429.520 4.855 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccccc3Cl)nc2c1 ZINC000015865440 568849941 /nfs/dbraw/zinc/84/99/41/568849941.db2.gz JRRAFEGBLBRIDO-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nc12 ZINC000015865428 568850111 /nfs/dbraw/zinc/85/01/11/568850111.db2.gz HIJTYZFVDYXHFG-UHFFFAOYSA-N 0 0 427.504 4.958 50 0 IJAARN C[C@@H](Cc1nnc(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)o1)c1ccccc1 ZINC000006175445 568851377 /nfs/dbraw/zinc/85/13/77/568851377.db2.gz NDSYCSPWOCJBRS-RNXZQOMOSA-N 0 0 425.598 4.841 50 0 IJAARN CCOC(=O)c1cc(CSc2nnc3c4ccccc4nc(-c4cccc(C)c4)n23)on1 ZINC000015868041 568851429 /nfs/dbraw/zinc/85/14/29/568851429.db2.gz ILLLZYXJQWXBJO-UHFFFAOYSA-N 0 0 445.504 4.710 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000015880731 568854236 /nfs/dbraw/zinc/85/42/36/568854236.db2.gz DOVZIUIQHLGQSX-UHFFFAOYSA-N 0 0 443.916 4.580 50 0 IJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 ZINC000015882396 568856475 /nfs/dbraw/zinc/85/64/75/568856475.db2.gz QWVHPKCJWYGHEP-UHFFFAOYSA-N 0 0 445.519 4.629 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1 ZINC000015882201 568856854 /nfs/dbraw/zinc/85/68/54/568856854.db2.gz UPODWDAOFDBKBK-UHFFFAOYSA-N 0 0 436.581 4.743 50 0 IJAARN O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1nc2ccccc2s1 ZINC000015882727 568857240 /nfs/dbraw/zinc/85/72/40/568857240.db2.gz ARTVONMOQCCUGI-UHFFFAOYSA-N 0 0 442.551 4.523 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882861 568857387 /nfs/dbraw/zinc/85/73/87/568857387.db2.gz BPJMVWQXFRZCOR-UHFFFAOYSA-N 0 0 436.817 4.830 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)c(C)c1 ZINC000015883316 568857547 /nfs/dbraw/zinc/85/75/47/568857547.db2.gz GDCGYXXSFGJJFL-UHFFFAOYSA-N 0 0 440.547 4.852 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000016047969 568869378 /nfs/dbraw/zinc/86/93/78/568869378.db2.gz ISJPSAMEAJFFFY-UHFFFAOYSA-N 0 0 440.521 4.905 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000016048014 568869411 /nfs/dbraw/zinc/86/94/11/568869411.db2.gz XDOJWCJVPKTEER-UHFFFAOYSA-N 0 0 445.324 4.668 50 0 IJAARN O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000016048027 568869425 /nfs/dbraw/zinc/86/94/25/568869425.db2.gz PCUFGCLNCJPAGN-UHFFFAOYSA-N 0 0 426.494 4.515 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)C[C@@H]4COc5ccccc5O4)cc3)o2)c1 ZINC000012946308 568871274 /nfs/dbraw/zinc/87/12/74/568871274.db2.gz PZUWEAGHCCRUFG-OAQYLSRUSA-N 0 0 441.487 4.624 50 0 IJAARN C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000012946781 568871334 /nfs/dbraw/zinc/87/13/34/568871334.db2.gz ZIRVCCMYFBIWQZ-OAHLLOKOSA-N 0 0 430.346 4.570 50 0 IJAARN C/C=C/c1cc(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1OC ZINC000016170337 568872140 /nfs/dbraw/zinc/87/21/40/568872140.db2.gz WALMWRQTSIUAFC-XPUAEESYSA-N 0 0 436.464 4.570 50 0 IJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000025061457 568880341 /nfs/dbraw/zinc/88/03/41/568880341.db2.gz LOZAMKCQIGNVFH-MCIONIFRSA-N 0 0 426.007 4.525 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N[C@H](C(C)C)C(O)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000035340565 568880503 /nfs/dbraw/zinc/88/05/03/568880503.db2.gz SCOLSLSJLUGQMW-RUZDIDTESA-N 0 0 437.605 4.851 50 0 IJAARN CCOc1cc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000102912757 568890382 /nfs/dbraw/zinc/89/03/82/568890382.db2.gz UZRGYVYUKDJGNT-CXUHLZMHSA-N 0 0 437.348 4.659 50 0 IJAARN O=C(NCCc1ccccc1Br)N1CCC(c2nc3ccccc3o2)CC1 ZINC000064242836 568894429 /nfs/dbraw/zinc/89/44/29/568894429.db2.gz NVWFNBHMDOFZDQ-UHFFFAOYSA-N 0 0 428.330 4.722 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(I)cc3)s2)cs1 ZINC000012985325 568895633 /nfs/dbraw/zinc/89/56/33/568895633.db2.gz DSZYDPRXOKQRAC-UHFFFAOYSA-N 0 0 440.331 4.715 50 0 IJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000013008786 568899728 /nfs/dbraw/zinc/89/97/28/568899728.db2.gz MMCXOQXYBKJPIB-HSZRJFAPSA-N 0 0 449.526 4.927 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(OC)cc3)C2=O)cc1 ZINC000103005030 568900562 /nfs/dbraw/zinc/90/05/62/568900562.db2.gz NKMPNTWVOAGTLT-XQNSMLJCSA-N 0 0 442.471 4.512 50 0 IJAARN CCCc1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000013021708 568902265 /nfs/dbraw/zinc/90/22/65/568902265.db2.gz MGJWMKLCQQVXLF-VWLOTQADSA-N 0 0 431.561 4.706 50 0 IJAARN Cc1ccc(COc2ccc(Cl)cc2/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000006459228 568909431 /nfs/dbraw/zinc/90/94/31/568909431.db2.gz PHARLYLCOJQLJD-LPYMAVHISA-N 0 0 432.932 4.998 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000245312330 568914748 /nfs/dbraw/zinc/91/47/48/568914748.db2.gz UJXHMWBWBXEYSW-DXBBTUNJSA-N 0 0 448.950 4.779 50 0 IJAARN CCOc1ccc([C@@H]2C(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(C)=Nc3ncnn32)cc1 ZINC000245312282 568914861 /nfs/dbraw/zinc/91/48/61/568914861.db2.gz STFDJZNEOSYWML-BWWDHELJSA-N 0 0 438.572 4.970 50 0 IJAARN CCc1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000035744750 568917998 /nfs/dbraw/zinc/91/79/98/568917998.db2.gz DYKKEMPJZGGGGD-UHFFFAOYSA-N 0 0 428.536 4.855 50 0 IJAARN CCCCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](C)CC ZINC000016498259 568920348 /nfs/dbraw/zinc/92/03/48/568920348.db2.gz KBGSENKZZWDSIJ-QGZVFWFLSA-N 0 0 436.549 4.704 50 0 IJAARN CN(C(=O)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1)c1ccccc1 ZINC000001953826 568923897 /nfs/dbraw/zinc/92/38/97/568923897.db2.gz MJWYTYSEXVGHQY-UHFFFAOYSA-N 0 0 437.927 4.527 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc2)C(C(=O)OC)=C1C ZINC000016609310 568925744 /nfs/dbraw/zinc/92/57/44/568925744.db2.gz DAVPIZHDEMFZMU-BTYIYWSLSA-N 0 0 445.629 4.786 50 0 IJAARN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(OC)c1 ZINC000252600497 568925993 /nfs/dbraw/zinc/92/59/93/568925993.db2.gz DRWFEROMZIPLEC-UHFFFAOYSA-N 0 0 426.476 4.979 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000089481825 568926751 /nfs/dbraw/zinc/92/67/51/568926751.db2.gz WGZGUQOCFWQBRL-INIZCTEOSA-N 0 0 426.567 4.576 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCCCc2ccccc2)C1 ZINC000064452514 568929394 /nfs/dbraw/zinc/92/93/94/568929394.db2.gz QWHHABHDQYPSRP-QFIPXVFZSA-N 0 0 430.552 4.543 50 0 IJAARN COc1cc2nc(C(=O)N3CCSCC3)cc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000064474121 568930146 /nfs/dbraw/zinc/93/01/46/568930146.db2.gz NYVHOPHDYDIDAK-UHFFFAOYSA-N 0 0 437.565 4.801 50 0 IJAARN CCc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000064473129 568930427 /nfs/dbraw/zinc/93/04/27/568930427.db2.gz PQPBULGUMBSYAN-UHFFFAOYSA-N 0 0 431.515 4.933 50 0 IJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc4c(c3)OCO4)CO2)cc1 ZINC000054278161 568930994 /nfs/dbraw/zinc/93/09/94/568930994.db2.gz FXUGSZFBABTMQC-UHFFFAOYSA-N 0 0 443.455 4.549 50 0 biogenic IJAARN O=C1C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1S(=O)(=O)c1ccccc1 ZINC000064558074 568931963 /nfs/dbraw/zinc/93/19/63/568931963.db2.gz AZTAYPXCODHRFD-FQEVSTJZSA-N 0 0 439.920 4.667 50 0 IJAARN Cc1ccc(NC(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)cc1 ZINC000064565822 568932704 /nfs/dbraw/zinc/93/27/04/568932704.db2.gz HXHIUPVYJYTVEU-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc3c(s2)CCCC3)c1C ZINC000006581932 568933831 /nfs/dbraw/zinc/93/38/31/568933831.db2.gz FOVULTQAHUCVMG-IBGZPJMESA-N 0 0 426.582 4.504 50 0 IJAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCCc3ccccc3)c2)ncn1 ZINC000064578464 568933948 /nfs/dbraw/zinc/93/39/48/568933948.db2.gz GLLSRZUJRGHWAA-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN CC[C@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1ccc(C(C)C)cc1 ZINC000064593493 568935868 /nfs/dbraw/zinc/93/58/68/568935868.db2.gz VPEVVDJALCKJKX-FQEVSTJZSA-N 0 0 447.564 4.513 50 0 IJAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000027025141 568939262 /nfs/dbraw/zinc/93/92/62/568939262.db2.gz KAYALWUOXBNDFO-UHFFFAOYSA-N 0 0 435.398 4.546 50 0 IJAARN O=c1c(F)cn(Cc2ccc(Cl)cc2Cl)c(=O)n1Cc1ccc(Cl)cc1Cl ZINC000002063826 568941350 /nfs/dbraw/zinc/94/13/50/568941350.db2.gz RGVSWMTTZGEIBW-UHFFFAOYSA-N 0 0 448.108 4.859 50 0 IJAARN O=C1C[C@H](c2ccc(Br)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656616 568942168 /nfs/dbraw/zinc/94/21/68/568942168.db2.gz OCFUCMAIHYVEJJ-OAHLLOKOSA-N 0 0 448.363 4.818 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccc(OCC)cc4)sc3C2)cc1 ZINC000064660219 568942494 /nfs/dbraw/zinc/94/24/94/568942494.db2.gz CLKMZFRIOLTFFF-UHFFFAOYSA-N 0 0 442.606 4.908 50 0 IJAARN Cc1c(S(=O)(=O)NCc2ccccc2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668146 568943156 /nfs/dbraw/zinc/94/31/56/568943156.db2.gz VIZYVFXZGRDHPW-UHFFFAOYSA-N 0 0 441.553 4.742 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3cccnc3sc2c1=O ZINC000064699804 568944363 /nfs/dbraw/zinc/94/43/63/568944363.db2.gz OPDXOZZSOPXIOT-UHFFFAOYSA-N 0 0 442.541 4.532 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(F)cc2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000036083762 568947445 /nfs/dbraw/zinc/94/74/45/568947445.db2.gz XOFGNSWDZYPJOM-QFIPXVFZSA-N 0 0 440.515 4.716 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C)cc2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000036083849 568947598 /nfs/dbraw/zinc/94/75/98/568947598.db2.gz YZVBMUPBEAZJES-HXUWFJFHSA-N 0 0 449.334 4.894 50 0 IJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(Br)cc3)n2)c1 ZINC000064747478 568949865 /nfs/dbraw/zinc/94/98/65/568949865.db2.gz WZSGTWMWCOKNPB-KRWDZBQOSA-N 0 0 443.301 4.877 50 0 IJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cccc(Br)c2)n1 ZINC000064747614 568950126 /nfs/dbraw/zinc/95/01/26/568950126.db2.gz ZYLMRBBWVFICKI-INIZCTEOSA-N 0 0 443.301 4.877 50 0 IJAARN CCCN(Cc1csc(COc2ccc(C)cc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115383 568955279 /nfs/dbraw/zinc/95/52/79/568955279.db2.gz ALHGDWFACHMZTH-UHFFFAOYSA-N 0 0 446.594 4.640 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)CC(C)C ZINC000036119460 568956083 /nfs/dbraw/zinc/95/60/83/568956083.db2.gz UNYGCIXQTLGJQK-KNQAVFIVSA-N 0 0 442.625 4.926 50 0 IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C1CCCC1 ZINC000036119425 568956101 /nfs/dbraw/zinc/95/61/01/568956101.db2.gz BZSUIGHXOHDQAG-JOCHJYFZSA-N 0 0 440.609 4.680 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(C)(C)C ZINC000036118843 568956131 /nfs/dbraw/zinc/95/61/31/568956131.db2.gz BUCDISPPAKWQNQ-HXUWFJFHSA-N 0 0 428.598 4.517 50 0 IJAARN CC[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787484 568956306 /nfs/dbraw/zinc/95/63/06/568956306.db2.gz WPBCXPORRZWTFA-ZHYQCZFISA-N 0 0 446.595 4.560 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)CC(C)C ZINC000036120019 568956934 /nfs/dbraw/zinc/95/69/34/568956934.db2.gz QFOBWYUIWWEGKV-QFIPXVFZSA-N 0 0 442.625 4.846 50 0 IJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C(C)(C)C)cc1 ZINC000036120056 568956937 /nfs/dbraw/zinc/95/69/37/568956937.db2.gz WSOPIPVXKJPLRD-NRFANRHFSA-N 0 0 440.609 4.598 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(C)(C)C ZINC000036120054 568956942 /nfs/dbraw/zinc/95/69/42/568956942.db2.gz UEJOZCMNGFURAW-HXUWFJFHSA-N 0 0 428.598 4.598 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)c3cccs3)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791265 568957314 /nfs/dbraw/zinc/95/73/14/568957314.db2.gz XFSMIFDNMIRMDG-UHFFFAOYSA-N 0 0 428.477 4.519 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)C(C)C ZINC000036120843 568957733 /nfs/dbraw/zinc/95/77/33/568957733.db2.gz VOJVWCLYCHRMLF-DYESRHJHSA-N 0 0 446.588 4.675 50 0 IJAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121542 568958328 /nfs/dbraw/zinc/95/83/28/568958328.db2.gz IXJAYDATQFBZNO-HXUWFJFHSA-N 0 0 446.588 4.675 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)cc1 ZINC000064791487 568958945 /nfs/dbraw/zinc/95/89/45/568958945.db2.gz ZISWLUWIQLLCPI-UHFFFAOYSA-N 0 0 435.491 4.799 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2cccc(F)c2)n1C[C@H]1CCCO1 ZINC000064794631 568960080 /nfs/dbraw/zinc/96/00/80/568960080.db2.gz WDCRGIJCGNMXNH-OAHLLOKOSA-N 0 0 441.557 4.747 50 0 IJAARN CCNC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006712144 568961010 /nfs/dbraw/zinc/96/10/10/568961010.db2.gz HSOXAWCYXJMOKG-UHFFFAOYSA-N 0 0 428.552 4.608 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000064800414 568961180 /nfs/dbraw/zinc/96/11/80/568961180.db2.gz RILCPGRCDRPUMT-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(N2CCOCC2)n1 ZINC000064801548 568961465 /nfs/dbraw/zinc/96/14/65/568961465.db2.gz BZVSNOUYHAVDLT-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@@H]1CCCO1)C(=O)C(C)(C)C ZINC000006721996 568962775 /nfs/dbraw/zinc/96/27/75/568962775.db2.gz NXYLVMILMNSYPG-FQEVSTJZSA-N 0 0 431.621 4.681 50 0 IJAARN CC[C@@H](C)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722175 568962999 /nfs/dbraw/zinc/96/29/99/568962999.db2.gz CSICNFHWYFXSMW-QGZVFWFLSA-N 0 0 428.552 4.863 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152421 568963524 /nfs/dbraw/zinc/96/35/24/568963524.db2.gz KHWORUPRYROTTO-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1nc2[nH]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C ZINC000064813925 568963806 /nfs/dbraw/zinc/96/38/06/568963806.db2.gz MLEPCABMPZSMQY-UHFFFAOYSA-N 0 0 449.942 4.658 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3cccc(C)c3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819585 568966632 /nfs/dbraw/zinc/96/66/32/568966632.db2.gz QNBAAXHGGRHRMF-UHFFFAOYSA-N 0 0 440.547 4.852 50 0 IJAARN O=C(c1cccs1)N1CCS[C@]12C(=O)N(Cc1ccc(F)c(F)c1)c1ccccc12 ZINC000036166851 568967469 /nfs/dbraw/zinc/96/74/69/568967469.db2.gz BAIZEKPLZCEJFN-JOCHJYFZSA-N 0 0 442.512 4.615 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164245 568967999 /nfs/dbraw/zinc/96/79/99/568967999.db2.gz QKLQEBWDVBPSJY-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN O=C(C1CCCC1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12 ZINC000036165447 568968280 /nfs/dbraw/zinc/96/82/80/568968280.db2.gz RQLWACUASILKQL-HSZRJFAPSA-N 0 0 444.959 4.944 50 0 IJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@]3(SCCN3C(=O)CC(C)C)C2=O)cc1 ZINC000036165624 568968346 /nfs/dbraw/zinc/96/83/46/568968346.db2.gz JXVLSBNGZFPWOK-QHCPKHFHSA-N 0 0 428.985 4.970 50 0 IJAARN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(C4CCCCC4)cc3)no2)c1 ZINC000064841449 568970265 /nfs/dbraw/zinc/97/02/65/568970265.db2.gz LNVOWKXQBZAZBA-UHFFFAOYSA-N 0 0 439.581 4.956 50 0 IJAARN COC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847881 568971416 /nfs/dbraw/zinc/97/14/16/568971416.db2.gz RODFRCOQKKJWDP-OAHLLOKOSA-N 0 0 443.931 4.645 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c(C)c1 ZINC000064848174 568971602 /nfs/dbraw/zinc/97/16/02/568971602.db2.gz JPTVTRWQZNFSQN-UHFFFAOYSA-N 0 0 435.593 4.816 50 0 biogenic IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC(CC(=O)NCc2ccccc2C)CC1 ZINC000064847261 568972196 /nfs/dbraw/zinc/97/21/96/568972196.db2.gz LSIYLRUPIHBTRU-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cc(C)cc3C)c2)on1 ZINC000064866152 568974242 /nfs/dbraw/zinc/97/42/42/568974242.db2.gz JHJKYJLRTHPNEH-UHFFFAOYSA-N 0 0 426.538 4.686 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3C)c2)c1C ZINC000064867303 568975202 /nfs/dbraw/zinc/97/52/02/568975202.db2.gz VQVRUCXLULGLMW-UHFFFAOYSA-N 0 0 430.501 4.517 50 0 IJAARN CN(C)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000064872091 568977772 /nfs/dbraw/zinc/97/77/72/568977772.db2.gz MRPUZZHNYHQDCP-UHFFFAOYSA-N 0 0 449.985 4.545 50 0 IJAARN COc1ccc(CC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(Cl)c1 ZINC000064888007 568979116 /nfs/dbraw/zinc/97/91/16/568979116.db2.gz UPSWVRQEACKUKE-UHFFFAOYSA-N 0 0 447.966 4.842 50 0 IJAARN COc1cc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000036246322 568981733 /nfs/dbraw/zinc/98/17/33/568981733.db2.gz SKXAQVKJUAIDDT-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc([C@@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246907 568982050 /nfs/dbraw/zinc/98/20/50/568982050.db2.gz MQOURHREBIZHFQ-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930198 568987930 /nfs/dbraw/zinc/98/79/30/568987930.db2.gz PMOPYBLVJZYYGJ-GOSISDBHSA-N 0 0 440.956 4.740 50 0 IJAARN O=C(Nc1ccccc1F)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2Cl)s1 ZINC000064930796 568989194 /nfs/dbraw/zinc/98/91/94/568989194.db2.gz JTLJWDPQTYDJFN-INIZCTEOSA-N 0 0 445.907 4.952 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccc(NCc3ccc4c(c3)OCO4)nn2)cc1Cl ZINC000064945223 568993373 /nfs/dbraw/zinc/99/33/73/568993373.db2.gz JBTJAGLTAWWDFQ-UHFFFAOYSA-N 0 0 442.928 4.510 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CCOC)C[C@@H](O)C(C)C ZINC000036302878 568993674 /nfs/dbraw/zinc/99/36/74/568993674.db2.gz YRVRHRSTQAUIPK-RUZDIDTESA-N 0 0 437.584 4.692 50 0 IJAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303643 568995238 /nfs/dbraw/zinc/99/52/38/568995238.db2.gz QQSPFTNHNUPWFX-OAQYLSRUSA-N 0 0 443.975 4.846 50 0 IJAARN CCOc1ccc(-n2nc(-c3nc(-c4ccc(OC)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064949805 568995419 /nfs/dbraw/zinc/99/54/19/568995419.db2.gz RHRXTGVSJDIKCQ-UHFFFAOYSA-N 0 0 440.459 4.510 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCc3cccnc3)c(C)c12 ZINC000006803893 568996469 /nfs/dbraw/zinc/99/64/69/568996469.db2.gz CCKYHWVRFRXZFH-UHFFFAOYSA-N 0 0 427.552 4.607 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccc(C)cc1 ZINC000036312380 568997656 /nfs/dbraw/zinc/99/76/56/568997656.db2.gz FPGIUVGMRLYMHE-UHFFFAOYSA-N 0 0 433.552 4.929 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1OC ZINC000064955963 568998745 /nfs/dbraw/zinc/99/87/45/568998745.db2.gz MYBPYCIDMUWKLB-GOSISDBHSA-N 0 0 429.520 4.901 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCCC5)CC4)nccn3n2)c(C)c1 ZINC000064959037 568999791 /nfs/dbraw/zinc/99/97/91/568999791.db2.gz VMBSVLAOKDTDKL-UHFFFAOYSA-N 0 0 431.584 4.678 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4CC)c3C)c(C)o2)cc1 ZINC000064967623 569001427 /nfs/dbraw/zinc/00/14/27/569001427.db2.gz ZLGONUZWTISIDO-UHFFFAOYSA-N 0 0 445.523 4.812 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3C)c(C)o2)cc1 ZINC000064967423 569001882 /nfs/dbraw/zinc/00/18/82/569001882.db2.gz VVGNWAWDVPRPRD-UHFFFAOYSA-N 0 0 445.523 4.866 50 0 IJAARN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970926 569076366 /nfs/dbraw/zinc/07/63/66/569076366.db2.gz XXFCKBOMWHHKDV-OAQYLSRUSA-N 0 0 443.551 4.714 50 0 IJAARN CN(CCCNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1)c1ccccc1 ZINC000064972571 569077056 /nfs/dbraw/zinc/07/70/56/569077056.db2.gz LURLMZYJOAZSDE-UHFFFAOYSA-N 0 0 444.560 4.805 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000064976711 569077168 /nfs/dbraw/zinc/07/71/68/569077168.db2.gz ODIFSOFPRHEOID-UHFFFAOYSA-N 0 0 449.576 4.798 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)c2ccccc2Cl)c1 ZINC000064976703 569077172 /nfs/dbraw/zinc/07/71/72/569077172.db2.gz ZRMRRUQRDBYMNK-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064976955 569077398 /nfs/dbraw/zinc/07/73/98/569077398.db2.gz JPOGLHRDVLLLPK-UHFFFAOYSA-N 0 0 448.588 4.567 50 0 IJAARN CCCN1c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccco3)cc2Sc2ccccc2C1=O ZINC000064979744 569078244 /nfs/dbraw/zinc/07/82/44/569078244.db2.gz VTKFSLXIPPSLJJ-OAHLLOKOSA-N 0 0 449.532 4.558 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036344968 569080429 /nfs/dbraw/zinc/08/04/29/569080429.db2.gz XUHCENILLDFYEA-AREMUKBSSA-N 0 0 427.548 4.813 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000036345159 569080671 /nfs/dbraw/zinc/08/06/71/569080671.db2.gz CTNVYVRAXMXHNG-VWLOTQADSA-N 0 0 443.547 4.514 50 0 IJAARN CC(=O)c1c(C)n(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc21 ZINC000064987333 569082453 /nfs/dbraw/zinc/08/24/53/569082453.db2.gz PBAPEDYHYDLLLC-SANMLTNESA-N 0 0 434.536 4.827 50 0 IJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4ccccc4Br)cc32)cc1 ZINC000064989706 569083050 /nfs/dbraw/zinc/08/30/50/569083050.db2.gz MJMWMEDVDOJMGK-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccc(Cl)cc4)ccc3C[C@@H]2C)cc1 ZINC000064990130 569083122 /nfs/dbraw/zinc/08/31/22/569083122.db2.gz XXFGKRAVCQXPKT-INIZCTEOSA-N 0 0 434.923 4.870 50 0 IJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)[C@@H](C)C3)cc1 ZINC000064990216 569083266 /nfs/dbraw/zinc/08/32/66/569083266.db2.gz WHWVKDMGKQXFNZ-SFHVURJKSA-N 0 0 444.531 4.615 50 0 IJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)[C@@H](C)C2 ZINC000064990219 569083272 /nfs/dbraw/zinc/08/32/72/569083272.db2.gz JTXRKZOWGGUYQP-SFHVURJKSA-N 0 0 444.531 4.615 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(C)c4)cc32)cc1 ZINC000064990719 569083483 /nfs/dbraw/zinc/08/34/83/569083483.db2.gz BUYJAORYGQTYGA-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036352865 569083881 /nfs/dbraw/zinc/08/38/81/569083881.db2.gz PPRUZZRCIFYJSG-XMMPIXPASA-N 0 0 443.522 4.984 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)N[C@H](C)c4ccccc4)s3)c2C)cc1 ZINC000064998640 569085397 /nfs/dbraw/zinc/08/53/97/569085397.db2.gz XGYUEKDNTHFZJM-OAHLLOKOSA-N 0 0 447.564 4.897 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N(C)c4ccccc4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000401 569085953 /nfs/dbraw/zinc/08/59/53/569085953.db2.gz NEZCBBAYYARHTB-UHFFFAOYSA-N 0 0 428.532 4.886 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)Nc4cc(F)ccc4F)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000476 569086025 /nfs/dbraw/zinc/08/60/25/569086025.db2.gz HQKPUPALXYJYER-UHFFFAOYSA-N 0 0 436.458 4.832 50 0 IJAARN COc1ccccc1NC(=O)c1ccc2c(c1)ncn(-c1cccc(C(F)(F)F)c1)c2=O ZINC000036365571 569086825 /nfs/dbraw/zinc/08/68/25/569086825.db2.gz OZUUWEUYQYOCHW-UHFFFAOYSA-N 0 0 439.393 4.665 50 0 IJAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCCCN2CCCc3ccccc32)n1 ZINC000065010247 569088168 /nfs/dbraw/zinc/08/81/68/569088168.db2.gz MBGRGPDHJBFQJD-UHFFFAOYSA-N 0 0 430.508 4.672 50 0 IJAARN O=C(Nc1ccc(Br)cc1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023911 569089509 /nfs/dbraw/zinc/08/95/09/569089509.db2.gz WTIPWMQESNVVMI-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN Cc1ccc(-c2noc3nc(C)nc(OCC(=O)NCc4cccc(Cl)c4)c32)cc1C ZINC000065024884 569089781 /nfs/dbraw/zinc/08/97/81/569089781.db2.gz NOFSUWYGPKAHLL-UHFFFAOYSA-N 0 0 436.899 4.559 50 0 IJAARN CCOc1ccc(-c2ccnc3c(C(=O)NCc4ccc(C(F)(F)F)cc4)cnn32)cc1 ZINC000065026709 569089943 /nfs/dbraw/zinc/08/99/43/569089943.db2.gz LNHPEVLFGGCUGS-UHFFFAOYSA-N 0 0 440.425 4.744 50 0 IJAARN O=C(N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccc2ncccc2c1 ZINC000169753460 569093564 /nfs/dbraw/zinc/09/35/64/569093564.db2.gz XSGMEPCHQPPFQD-FQEVSTJZSA-N 0 0 431.927 4.677 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3ccc(F)cc3Cl)nc(N3CCC(C)CC3)c12 ZINC000065056426 569094770 /nfs/dbraw/zinc/09/47/70/569094770.db2.gz FZVWRSOMUJNZQI-UHFFFAOYSA-N 0 0 431.899 4.526 50 0 IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065058948 569095210 /nfs/dbraw/zinc/09/52/10/569095210.db2.gz KCPKORGZECKLDI-NRFANRHFSA-N 0 0 448.336 4.539 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000065058961 569095541 /nfs/dbraw/zinc/09/55/41/569095541.db2.gz PTULHPKMOWEJJF-OAQYLSRUSA-N 0 0 448.336 4.539 50 0 IJAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)c1 ZINC000065058849 569095692 /nfs/dbraw/zinc/09/56/92/569095692.db2.gz IJVAKUCVUWMYKW-QFIPXVFZSA-N 0 0 449.473 4.664 50 0 IJAARN CCOc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1OC ZINC000065061106 569096301 /nfs/dbraw/zinc/09/63/01/569096301.db2.gz KULZVKISUKSRPT-UHFFFAOYSA-N 0 0 447.510 4.797 50 0 IJAARN O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NCCc1ccco1 ZINC000065061242 569096431 /nfs/dbraw/zinc/09/64/31/569096431.db2.gz SLMSWIXHIGAXPS-UHFFFAOYSA-N 0 0 438.325 4.648 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1 ZINC000065074968 569099290 /nfs/dbraw/zinc/09/92/90/569099290.db2.gz DVEFSAASCFCKQU-RUZDIDTESA-N 0 0 434.923 4.627 50 0 IJAARN COc1cc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc(OC)c1OC ZINC000065079227 569100895 /nfs/dbraw/zinc/10/08/95/569100895.db2.gz AMVMTWQEXNMBNU-UHFFFAOYSA-N 0 0 437.521 4.578 50 0 IJAARN Cc1nn(-c2ccc(Cl)cc2)c2nc(N3CCC[C@H](C(=O)NCCC(C)C)C3)sc12 ZINC000065080705 569101223 /nfs/dbraw/zinc/10/12/23/569101223.db2.gz XXMBVUVFPDQBJS-INIZCTEOSA-N 0 0 446.020 4.823 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(F)cc1)CO2)c1cccc(Cl)c1 ZINC000065082773 569102362 /nfs/dbraw/zinc/10/23/62/569102362.db2.gz GPTUNDRFBOOTTA-SFHVURJKSA-N 0 0 438.886 4.599 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1F)CO2)c1cccc(Cl)c1 ZINC000065082791 569102448 /nfs/dbraw/zinc/10/24/48/569102448.db2.gz KYVQZWKJLOETKP-GOSISDBHSA-N 0 0 438.886 4.599 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2)c1ccc(Cl)cc1 ZINC000065082869 569102489 /nfs/dbraw/zinc/10/24/89/569102489.db2.gz HVPIPOPJQAAHBV-OAQYLSRUSA-N 0 0 448.950 4.892 50 0 IJAARN Cc1ccccc1CNC(=O)[C@H]1COc2ccc(NC(=O)c3cccc(Cl)c3)cc2C1 ZINC000065082797 569102525 /nfs/dbraw/zinc/10/25/25/569102525.db2.gz DOYJCSMSTIHPNV-HXUWFJFHSA-N 0 0 434.923 4.768 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099450 569105212 /nfs/dbraw/zinc/10/52/12/569105212.db2.gz FWCKQOKFOHSKGW-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCCCc3ccccc3)CC2)c1 ZINC000065102709 569106170 /nfs/dbraw/zinc/10/61/70/569106170.db2.gz DWSFGFOYQHAZFC-UHFFFAOYSA-N 0 0 446.620 4.902 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)CSc3nccnc3Oc3ccccc3C)CC2)c1 ZINC000065111152 569106337 /nfs/dbraw/zinc/10/63/37/569106337.db2.gz DBPHFYBRAKHGOF-UHFFFAOYSA-N 0 0 448.592 4.635 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000065116262 569107308 /nfs/dbraw/zinc/10/73/08/569107308.db2.gz COBJIQRBCSTSAN-UHFFFAOYSA-N 0 0 447.944 4.933 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)no2)cc1 ZINC000065111931 569107780 /nfs/dbraw/zinc/10/77/80/569107780.db2.gz COYSLZWISPHCLD-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)N1CCN(c2ncccc2-c2nnc(C(C)C)o2)CC1 ZINC000065118123 569108884 /nfs/dbraw/zinc/10/88/84/569108884.db2.gz CZOUZRGHMSIDKN-UHFFFAOYSA-N 0 0 440.935 4.571 50 0 IJAARN Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC4CCCCC4)CC3)n2)cc1 ZINC000065130812 569109262 /nfs/dbraw/zinc/10/92/62/569109262.db2.gz BVHLSZYKMLKKJK-UHFFFAOYSA-N 0 0 445.567 4.772 50 0 IJAARN CC1CCN(C(=O)c2ccc(OCC3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)CC1 ZINC000065179961 569113580 /nfs/dbraw/zinc/11/35/80/569113580.db2.gz SGZLFUSXELAHTB-UHFFFAOYSA-N 0 0 438.543 4.629 50 0 IJAARN CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000065180261 569113756 /nfs/dbraw/zinc/11/37/56/569113756.db2.gz VOQKFZVABQSOMS-UHFFFAOYSA-N 0 0 448.485 4.775 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3cc(C)cc(C)c3)cccn12 ZINC000065185248 569114158 /nfs/dbraw/zinc/11/41/58/569114158.db2.gz QIWZXBKBKJSRLZ-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN O=C(CC1CCCCC1)N1CCC[C@@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178448 569114450 /nfs/dbraw/zinc/11/44/50/569114450.db2.gz YGPXRSVUOHJIPZ-JOCHJYFZSA-N 0 0 426.601 4.901 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)cc1)N1CCCC1 ZINC000065178874 569114533 /nfs/dbraw/zinc/11/45/33/569114533.db2.gz UETLUALOBJZUHR-GOSISDBHSA-N 0 0 426.944 4.507 50 0 IJAARN CCOc1ccc(-c2cccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)c2)nn1 ZINC000065185873 569114663 /nfs/dbraw/zinc/11/46/63/569114663.db2.gz DLQWGXYNQKPUTP-UHFFFAOYSA-N 0 0 428.876 4.857 50 0 IJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4ccc(F)cc4)o3)c2C)c(C)c1 ZINC000065194981 569115170 /nfs/dbraw/zinc/11/51/70/569115170.db2.gz WWJZBUDRJMCTCR-UHFFFAOYSA-N 0 0 434.471 4.917 50 0 IJAARN C[C@H](NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccc(F)cc1 ZINC000065228028 569117646 /nfs/dbraw/zinc/11/76/46/569117646.db2.gz XSDVKHNNWZSWFD-QFBILLFUSA-N 0 0 449.530 4.632 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000065228435 569117814 /nfs/dbraw/zinc/11/78/14/569117814.db2.gz OXSVDFAUMLFGRK-INIZCTEOSA-N 0 0 426.398 4.797 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O ZINC000065232475 569118969 /nfs/dbraw/zinc/11/89/69/569118969.db2.gz QRLOLXIGQCGSJK-UHFFFAOYSA-N 0 0 430.533 4.543 50 0 IJAARN Cc1nc(-c2noc(-c3cccc(C)c3)n2)cn1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000065250466 569122136 /nfs/dbraw/zinc/12/21/36/569122136.db2.gz RXRBFXGYHTUNQN-UHFFFAOYSA-N 0 0 425.851 4.648 50 0 IJAARN Fc1cccc(Cl)c1CN1CCCN(c2ncccc2-c2nc(C3CC3)no2)CC1 ZINC000065257951 569124190 /nfs/dbraw/zinc/12/41/90/569124190.db2.gz NVNOSGHRCYSDPV-UHFFFAOYSA-N 0 0 427.911 4.514 50 0 IJAARN CCCc1noc(-c2cccnc2N2CCCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000065257938 569124265 /nfs/dbraw/zinc/12/42/65/569124265.db2.gz PMPBRYTXEVTOKP-UHFFFAOYSA-N 0 0 429.927 4.589 50 0 IJAARN Clc1ccc(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)cc1 ZINC000065258256 569124363 /nfs/dbraw/zinc/12/43/63/569124363.db2.gz MXSWXBTVNNVXOT-UHFFFAOYSA-N 0 0 432.915 4.537 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065258412 569124444 /nfs/dbraw/zinc/12/44/44/569124444.db2.gz HUQBKZQIMAOXPM-UHFFFAOYSA-N 0 0 439.924 4.802 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)c1 ZINC000065258584 569124599 /nfs/dbraw/zinc/12/45/99/569124599.db2.gz JKCZNMOTFCGBIT-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013129186 569125276 /nfs/dbraw/zinc/12/52/76/569125276.db2.gz GKQVOVGQFMPTCY-SFHVURJKSA-N 0 0 444.487 4.790 50 0 IJAARN C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013129185 569125279 /nfs/dbraw/zinc/12/52/79/569125279.db2.gz GKQVOVGQFMPTCY-GOSISDBHSA-N 0 0 444.487 4.790 50 0 IJAARN O=C(CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)s1 ZINC000036648633 569130452 /nfs/dbraw/zinc/13/04/52/569130452.db2.gz ZTWCLSPGUSILCD-UHFFFAOYSA-N 0 0 445.894 4.517 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCN(C(=O)c4ccc(C)cc4C)CC3)sc12 ZINC000065296993 569131720 /nfs/dbraw/zinc/13/17/20/569131720.db2.gz OEGDATAPIUFZLJ-UHFFFAOYSA-N 0 0 449.555 4.509 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCN(C(=O)c4ccc(C)c(F)c4)CC3)sc12 ZINC000065297118 569131727 /nfs/dbraw/zinc/13/17/27/569131727.db2.gz YZWOEASRYKQRFJ-UHFFFAOYSA-N 0 0 449.555 4.509 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC(NC(=O)c4cccc(F)c4)CC3)sc12 ZINC000065299804 569132146 /nfs/dbraw/zinc/13/21/46/569132146.db2.gz ICRGLIGFRFVVMU-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccc(F)cc4Cl)CC3)c12 ZINC000065301536 569132845 /nfs/dbraw/zinc/13/28/45/569132845.db2.gz XIKPKMRHISBNNB-UHFFFAOYSA-N 0 0 432.952 4.633 50 0 IJAARN CN(C)c1nc2cc(C(=O)NCc3ccc(F)cc3F)sc2n1-c1ccc(F)cc1 ZINC000065306733 569133424 /nfs/dbraw/zinc/13/34/24/569133424.db2.gz HLXBOIMTCJBICA-UHFFFAOYSA-N 0 0 430.455 4.500 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCC3)C2)cc1 ZINC000065315492 569134105 /nfs/dbraw/zinc/13/41/05/569134105.db2.gz QJCJDJRILANXDJ-SFHVURJKSA-N 0 0 449.555 4.633 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccccc2NC(=O)c2ccccc2C)cc(OC)c1OC ZINC000036709586 569135837 /nfs/dbraw/zinc/13/58/37/569135837.db2.gz SYVADPZTWZRLDQ-BUHFOSPRSA-N 0 0 446.503 4.925 50 0 IJAARN Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)cc1 ZINC000065320710 569136273 /nfs/dbraw/zinc/13/62/73/569136273.db2.gz PGAVPWAJKAZAIW-FQEVSTJZSA-N 0 0 425.554 4.805 50 0 IJAARN COc1ccc2nc(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)sc2c1 ZINC000036709377 569136320 /nfs/dbraw/zinc/13/63/20/569136320.db2.gz FGQMLHUVSGPBKX-UHFFFAOYSA-N 0 0 436.459 4.678 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)c1C ZINC000065320873 569136384 /nfs/dbraw/zinc/13/63/84/569136384.db2.gz JDUGWSUJHPTKDN-IBGZPJMESA-N 0 0 429.517 4.635 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322645 569136758 /nfs/dbraw/zinc/13/67/58/569136758.db2.gz SSDMCQGAJUAEIW-FQEVSTJZSA-N 0 0 447.926 4.702 50 0 IJAARN CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 ZINC000036844662 569138393 /nfs/dbraw/zinc/13/83/93/569138393.db2.gz LDQREVRCQGXYRW-UHFFFAOYSA-N 0 0 430.895 4.805 50 0 IJAARN COc1ccc(C)cc1-c1csc(NC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 ZINC000170600159 569142741 /nfs/dbraw/zinc/14/27/41/569142741.db2.gz ZAHGYHQTXOVNNK-CQSZACIVSA-N 0 0 431.558 4.569 50 0 IJAARN C[C@@H](NC(=O)CSc1ccc(O)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606014 569143852 /nfs/dbraw/zinc/14/38/52/569143852.db2.gz NANKAUXLIKCBQR-GFCCVEGCSA-N 0 0 432.343 4.514 50 0 IJAARN CN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000170609727 569144697 /nfs/dbraw/zinc/14/46/97/569144697.db2.gz JTNSKHAINFCOIW-RBUKOAKNSA-N 0 0 431.323 4.516 50 0 IJAARN CCc1nnc(C2CCN(C(=O)CCc3c4ccccc4[nH]c3-c3ccc(F)cc3)CC2)[nH]1 ZINC000170611607 569145263 /nfs/dbraw/zinc/14/52/63/569145263.db2.gz QODSYNYXAMAXOI-UHFFFAOYSA-N 0 0 445.542 4.993 50 0 IJAARN CC(C)[C@@H](C)NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000037276814 569145376 /nfs/dbraw/zinc/14/53/76/569145376.db2.gz YMHGNHVAHSTBES-QGZVFWFLSA-N 0 0 427.976 4.513 50 0 IJAARN CCN(CC)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000037277017 569145387 /nfs/dbraw/zinc/14/53/87/569145387.db2.gz JWYRLUPMNAAHGT-UHFFFAOYSA-N 0 0 448.394 4.874 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1cccc(OC)c1 ZINC000037278627 569145404 /nfs/dbraw/zinc/14/54/04/569145404.db2.gz GFSJJWZXLRMWJN-UHFFFAOYSA-N 0 0 437.540 4.791 50 0 IJAARN Cc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000037280340 569145806 /nfs/dbraw/zinc/14/58/06/569145806.db2.gz FPQVZHCIBRGHFJ-RUZDIDTESA-N 0 0 434.580 4.556 50 0 IJAARN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037281355 569146151 /nfs/dbraw/zinc/14/61/51/569146151.db2.gz BOEMCJXXJWMOCY-XZOQPEGZSA-N 0 0 440.559 4.639 50 0 IJAARN O=C(c1ccc(N2CCCCCC2)nc1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000170623579 569148310 /nfs/dbraw/zinc/14/83/10/569148310.db2.gz ZUSWTWGLBNODBY-HSZRJFAPSA-N 0 0 427.976 4.701 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)nc(C(F)(F)F)n3C(C)C)CC2 ZINC000170627114 569148495 /nfs/dbraw/zinc/14/84/95/569148495.db2.gz KGCLJUWIXFPSOD-UHFFFAOYSA-N 0 0 447.457 4.852 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccc(OC)c3OC)C2)cc1OC ZINC000010059057 569152113 /nfs/dbraw/zinc/15/21/13/569152113.db2.gz OZNKAWUUZYZUKR-NRFANRHFSA-N 0 0 446.503 4.713 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000010059764 569152353 /nfs/dbraw/zinc/15/23/53/569152353.db2.gz SZTCZLOTYUKDDR-FGZHOGPDSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000010218519 569153521 /nfs/dbraw/zinc/15/35/21/569153521.db2.gz SLMNLXCDPYKNBO-UHFFFAOYSA-N 0 0 433.533 4.731 50 0 IJAARN O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000010255569 569154101 /nfs/dbraw/zinc/15/41/01/569154101.db2.gz MGFHRRNLMZHRDC-HNNXBMFYSA-N 0 0 425.381 4.900 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc2ccc(Br)cn2c1=O ZINC000071824168 569154792 /nfs/dbraw/zinc/15/47/92/569154792.db2.gz KZBIVKCXPRWEMD-UHFFFAOYSA-N 0 0 428.330 4.956 50 0 IJAARN Nc1ccccc1CNC(=O)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 ZINC000013576598 569155955 /nfs/dbraw/zinc/15/59/55/569155955.db2.gz FSUAGWGTWJLXFS-JJIBRWJFSA-N 0 0 437.499 4.616 50 0 IJAARN Cc1cc(Cl)cc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 ZINC000013579831 569156315 /nfs/dbraw/zinc/15/63/15/569156315.db2.gz YQMDNEBRWRFRHD-WOJBJXKFSA-N 0 0 440.952 4.835 50 0 IJAARN Cc1cccc(C)c1OCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000013895462 569157307 /nfs/dbraw/zinc/15/73/07/569157307.db2.gz OCFYZJMYUIHYKR-KQWNVCNZSA-N 0 0 442.540 4.532 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000014019259 569157596 /nfs/dbraw/zinc/15/75/96/569157596.db2.gz QJJGSGDCSBMTCH-LBPRGKRZSA-N 0 0 447.771 4.686 50 0 IJAARN COc1ccc(C2=N/C(=C\c3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)C(=O)O2)cc1 ZINC000014253062 569158420 /nfs/dbraw/zinc/15/84/20/569158420.db2.gz VIBWISLNMLZDFW-MTJSOVHGSA-N 0 0 447.516 4.798 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000014360949 569158799 /nfs/dbraw/zinc/15/87/99/569158799.db2.gz YCDOFLXLDGNZSM-UHFFFAOYSA-N 0 0 428.492 4.553 50 0 IJAARN O=C(NCc1ccccc1COc1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014366809 569158803 /nfs/dbraw/zinc/15/88/03/569158803.db2.gz VMWDUFLJINMZEE-UHFFFAOYSA-N 0 0 441.531 4.940 50 0 IJAARN O=C(Nc1cccc2cccnc21)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000014516572 569159260 /nfs/dbraw/zinc/15/92/60/569159260.db2.gz KEBAPDNXSDPPQP-UHFFFAOYSA-N 0 0 427.847 4.941 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000014582834 569159316 /nfs/dbraw/zinc/15/93/16/569159316.db2.gz RKVUFOQDSUGVOA-UHFFFAOYSA-N 0 0 428.838 4.906 50 0 IJAARN Cc1cn2c(nc(C)c2CN(C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000089702082 569161758 /nfs/dbraw/zinc/16/17/58/569161758.db2.gz PSVBGEHDTFLSTO-NRFANRHFSA-N 0 0 442.585 4.551 50 0 IJAARN Cc1cn2c(nc(C)c2CN(C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)s1 ZINC000089702083 569161772 /nfs/dbraw/zinc/16/17/72/569161772.db2.gz PSVBGEHDTFLSTO-OAQYLSRUSA-N 0 0 442.585 4.551 50 0 IJAARN O=C(NC1CC1)c1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)cc1 ZINC000089768062 569162505 /nfs/dbraw/zinc/16/25/05/569162505.db2.gz WGCZVJWNQBDTDU-UHFFFAOYSA-N 0 0 443.290 4.720 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21 ZINC000016844128 569163791 /nfs/dbraw/zinc/16/37/91/569163791.db2.gz HKQPYRWFPPKIFH-UHFFFAOYSA-N 0 0 439.884 4.587 50 0 IJAARN O=C(Cc1coc(-c2cccs2)n1)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000089800064 569165018 /nfs/dbraw/zinc/16/50/18/569165018.db2.gz LAQIWPHUGGNRJN-INIZCTEOSA-N 0 0 442.541 4.546 50 0 IJAARN O=C(NOCc1ccccc1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000089836723 569165326 /nfs/dbraw/zinc/16/53/26/569165326.db2.gz YKXLRCULEAXEKX-UHFFFAOYSA-N 0 0 434.293 4.921 50 0 IJAARN COCc1c(C(=O)N2CCN(c3cccc(OC)c3)[C@H](C)C2)sc2cccc(F)c21 ZINC000089939370 569168295 /nfs/dbraw/zinc/16/82/95/569168295.db2.gz SWBJWVPSNCZEAM-OAHLLOKOSA-N 0 0 428.529 4.546 50 0 IJAARN Cc1nnc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)s1 ZINC000016992392 569169582 /nfs/dbraw/zinc/16/95/82/569169582.db2.gz ANBFGGROATYFGW-UHFFFAOYSA-N 0 0 446.608 4.528 50 0 IJAARN Cc1cc(C)c(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000016993982 569169684 /nfs/dbraw/zinc/16/96/84/569169684.db2.gz WRDFUROWLPGPCU-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1ccccc1Cl ZINC000037356086 569171339 /nfs/dbraw/zinc/17/13/39/569171339.db2.gz YHHNCZDYINHEBG-HNNXBMFYSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)ncn1 ZINC000037356129 569171813 /nfs/dbraw/zinc/17/18/13/569171813.db2.gz DDGOKGUTSGEGHF-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4ccc(Br)cc4)n3n2)cc1 ZINC000017051920 569171852 /nfs/dbraw/zinc/17/18/52/569171852.db2.gz UIVWPYFWYQPJKU-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN Cc1ccc(-c2ccc(OCCNC(=O)C3c4ccccc4Oc4ccccc43)nn2)cc1 ZINC000017051688 569171894 /nfs/dbraw/zinc/17/18/94/569171894.db2.gz VXAZVQXPFORVBF-UHFFFAOYSA-N 0 0 437.499 4.885 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)ncn1 ZINC000037356494 569172151 /nfs/dbraw/zinc/17/21/51/569172151.db2.gz HAMAAPUHXZCBGP-GOSISDBHSA-N 0 0 426.536 4.724 50 0 IJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3cccc(Br)c3)n2n1 ZINC000017136124 569174512 /nfs/dbraw/zinc/17/45/12/569174512.db2.gz OYOLCQHZYRTGKM-UHFFFAOYSA-N 0 0 441.354 4.501 50 0 IJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1cccc(F)c1)nc2-c1cccs1 ZINC000037358260 569176001 /nfs/dbraw/zinc/17/60/01/569176001.db2.gz RUJXIJKWVWMGSC-UHFFFAOYSA-N 0 0 430.512 4.937 50 0 IJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037358444 569176121 /nfs/dbraw/zinc/17/61/21/569176121.db2.gz KNLSRPZXHNMJLN-UHFFFAOYSA-N 0 0 425.323 4.972 50 0 IJAARN O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CCc2ccccc2C1 ZINC000001056864 569176537 /nfs/dbraw/zinc/17/65/37/569176537.db2.gz NKGLXNFVGXIIKF-UHFFFAOYSA-N 0 0 428.439 4.675 50 0 IJAARN COc1ccccc1-c1nc(NCCc2ccccc2)nc2nn(-c3ccccc3)c(N)c21 ZINC000037359317 569176977 /nfs/dbraw/zinc/17/69/77/569176977.db2.gz UGCATFJESOOWIH-UHFFFAOYSA-N 0 0 436.519 4.728 50 0 IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCc1ccccc1)nc2-c1ccccc1F ZINC000037359444 569177188 /nfs/dbraw/zinc/17/71/88/569177188.db2.gz LRNNACQLFWKELX-UHFFFAOYSA-N 0 0 428.446 4.955 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(c2cccc(Br)c2)CC1 ZINC000170636631 569178230 /nfs/dbraw/zinc/17/82/30/569178230.db2.gz LEPYHODAFWLRIT-HXUWFJFHSA-N 0 0 425.326 4.519 50 0 IJAARN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000002093830 569179058 /nfs/dbraw/zinc/17/90/58/569179058.db2.gz FQQQCFFIDKOTJW-LJQANCHMSA-N 0 0 437.492 4.977 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002093910 569179092 /nfs/dbraw/zinc/17/90/92/569179092.db2.gz ZMFJDMUPUVQCHU-MRXNPFEDSA-N 0 0 435.904 4.704 50 0 IJAARN COc1ccc2c(c1)c(C(=O)COc1cc(C)cc3oc(=O)c4c(c13)CCC4)c(C)n2C ZINC000002095155 569179193 /nfs/dbraw/zinc/17/91/93/569179193.db2.gz PCNSSUCWHXHMRP-UHFFFAOYSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002098482 569179463 /nfs/dbraw/zinc/17/94/63/569179463.db2.gz GWHMHHGEEABDRO-WIOPSUGQSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN CCCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002099348 569179541 /nfs/dbraw/zinc/17/95/41/569179541.db2.gz ZPCKPGQHIZGUAT-QPPBQGQZSA-N 0 0 435.955 4.696 50 0 biogenic IJAARN COc1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3c2=O)cc1 ZINC000002103012 569179885 /nfs/dbraw/zinc/17/98/85/569179885.db2.gz ONQQKZPCMMNPGV-UHFFFAOYSA-N 0 0 446.411 4.850 50 0 biogenic IJAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(C)c(F)c1)CCCC3 ZINC000002522461 569180936 /nfs/dbraw/zinc/18/09/36/569180936.db2.gz TVEJCVHDVOFITR-UHFFFAOYSA-N 0 0 431.558 4.535 50 0 IJAARN COc1ccc2c(c1)c(C(=O)COc1ccc3c4c(c(=O)oc3c1C)CCC4)c(C)n2C ZINC000002149928 569187189 /nfs/dbraw/zinc/18/71/89/569187189.db2.gz GGENRHGWWQJUNL-UHFFFAOYSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN CC(C)N1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1 ZINC000011667756 569188486 /nfs/dbraw/zinc/18/84/86/569188486.db2.gz PKSAVONHHOSKTL-UHFFFAOYSA-N 0 0 435.549 4.658 50 0 IJAARN CN(c1ccc(C(=O)Nc2nncs2)cn1)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252512591 569188819 /nfs/dbraw/zinc/18/88/19/569188819.db2.gz SQGACVKCRVWJJH-IRXDYDNUSA-N 0 0 447.486 4.977 50 0 IJAARN CCCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(OCC(F)(F)F)n1 ZINC000002192282 569190606 /nfs/dbraw/zinc/19/06/06/569190606.db2.gz FCYHYCRHITVYIR-UHFFFAOYSA-N 0 0 425.333 4.667 50 0 IJAARN CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000037384852 569192250 /nfs/dbraw/zinc/19/22/50/569192250.db2.gz JZCXAJLQNSYIPE-UHFFFAOYSA-N 0 0 444.966 4.986 50 0 IJAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@@H](C)C(=O)N1CCOCC1 ZINC000037439037 569196353 /nfs/dbraw/zinc/19/63/53/569196353.db2.gz OUJDAWWGOXNYDJ-SFHVURJKSA-N 0 0 437.565 4.513 50 0 IJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(F)c3)C(=O)C3CCCC3)C2)cc1OC ZINC000037440608 569196660 /nfs/dbraw/zinc/19/66/60/569196660.db2.gz HHUSPXHHHOQCIF-NRFANRHFSA-N 0 0 440.515 4.555 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2)cc1OC ZINC000037441025 569196704 /nfs/dbraw/zinc/19/67/04/569196704.db2.gz FLWMROXDYQIQEL-HXUWFJFHSA-N 0 0 442.531 4.801 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000037443051 569197081 /nfs/dbraw/zinc/19/70/81/569197081.db2.gz PHUQMMYKGVGSGM-IZJXBPLLSA-N 0 0 435.593 4.812 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037443719 569197189 /nfs/dbraw/zinc/19/71/89/569197189.db2.gz KORHELSOMQNRAK-XHAXBJHOSA-N 0 0 447.579 4.898 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000037524196 569198403 /nfs/dbraw/zinc/19/84/03/569198403.db2.gz UPXHQKLWYPRMIS-LJQANCHMSA-N 0 0 445.538 4.716 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)Cc2cccs2)CC1)c1ccccc1 ZINC000037524434 569198622 /nfs/dbraw/zinc/19/86/22/569198622.db2.gz LZMACPXKBATVGJ-LJQANCHMSA-N 0 0 447.604 4.567 50 0 IJAARN CN(C(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)C1CCCCC1 ZINC000037525204 569198957 /nfs/dbraw/zinc/19/89/57/569198957.db2.gz NPMQFGPXXLQECW-UHFFFAOYSA-N 0 0 437.559 4.629 50 0 IJAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000037525263 569198996 /nfs/dbraw/zinc/19/89/96/569198996.db2.gz AJXJJVYSUVGTET-UHFFFAOYSA-N 0 0 433.596 4.799 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)NC[C@H]2CCCO2)cc2sc(Br)cc21 ZINC000037542701 569199440 /nfs/dbraw/zinc/19/94/40/569199440.db2.gz JATHOJBHSZFXRV-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)COc4ccccc4)c3)C2=O)c1 ZINC000037543390 569199588 /nfs/dbraw/zinc/19/95/88/569199588.db2.gz LPDPYRFPXXVFJC-UHFFFAOYSA-N 0 0 429.520 4.845 50 0 IJAARN Cc1ccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3scc(Br)c32)cc1 ZINC000037545035 569199607 /nfs/dbraw/zinc/19/96/07/569199607.db2.gz JFQDLBDBLVVPMQ-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)N1CCSCC1 ZINC000037547047 569199821 /nfs/dbraw/zinc/19/98/21/569199821.db2.gz QZEGMKYMEGJLOC-UHFFFAOYSA-N 0 0 443.519 4.759 50 0 IJAARN CC(C)CCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559404 569200886 /nfs/dbraw/zinc/20/08/86/569200886.db2.gz GQFAIGLWGKGLTF-UHFFFAOYSA-N 0 0 448.542 4.706 50 0 IJAARN Cc1ccc(N(C2CCN(Cc3ccccc3F)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000037570536 569201209 /nfs/dbraw/zinc/20/12/09/569201209.db2.gz BOQPLECTBJBELN-UHFFFAOYSA-N 0 0 438.568 4.994 50 0 IJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000002211036 569201226 /nfs/dbraw/zinc/20/12/26/569201226.db2.gz FSOYJUPGHCQZFC-UHFFFAOYSA-N 0 0 431.561 4.926 50 0 IJAARN COc1ccc([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C(C)=C2C(=O)OC(C)C)c(OC)c1 ZINC000037576765 569201453 /nfs/dbraw/zinc/20/14/53/569201453.db2.gz DZYBRANFBLIRLS-NRFANRHFSA-N 0 0 441.499 4.585 50 0 IJAARN Cc1ccc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000037579341 569201659 /nfs/dbraw/zinc/20/16/59/569201659.db2.gz WATGDNGXNCCRJW-UHFFFAOYSA-N 0 0 432.499 4.515 50 0 IJAARN CCC(=O)N1CCc2ccc(OCC(=O)N(C)c3ccccc3)cc2[C@H]1c1ccc(C)cc1 ZINC000037603090 569202500 /nfs/dbraw/zinc/20/25/00/569202500.db2.gz XGPIABCFTPWECW-MUUNZHRXSA-N 0 0 442.559 4.921 50 0 IJAARN CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000037603884 569202652 /nfs/dbraw/zinc/20/26/52/569202652.db2.gz KVBDQRZGRFUKFK-DFBJGRDBSA-N 0 0 446.547 4.622 50 0 IJAARN O=c1c(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)sc2nc3ccccc3n12 ZINC000252670547 569209954 /nfs/dbraw/zinc/20/99/54/569209954.db2.gz KYOOUOQKDDLFSK-UHFFFAOYSA-N 0 0 436.895 4.828 50 0 IJAARN Cc1ccc(SCCOc2cccc(C=c3sc4nc5ccccc5n4c3=O)c2)cc1 ZINC000252674270 569210151 /nfs/dbraw/zinc/21/01/51/569210151.db2.gz RXXIXRBIHHGTKZ-UHFFFAOYSA-N 0 0 444.581 4.936 50 0 IJAARN CCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)sc2c1CCCC2 ZINC000002230741 569210424 /nfs/dbraw/zinc/21/04/24/569210424.db2.gz MVUILLWFBJIPAG-UHFFFAOYSA-N 0 0 444.940 4.697 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc1 ZINC000003008984 569212968 /nfs/dbraw/zinc/21/29/68/569212968.db2.gz GUBZXDIKFBXCNU-UHFFFAOYSA-N 0 0 443.956 4.504 50 0 IJAARN CCCCOc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000003115020 569213299 /nfs/dbraw/zinc/21/32/99/569213299.db2.gz DSXWUPGJLPHTLX-PDGQHHTCSA-N 0 0 447.272 4.815 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 ZINC000002255235 569216748 /nfs/dbraw/zinc/21/67/48/569216748.db2.gz YTOIHQQWYQSIPN-UHFFFAOYSA-N 0 0 426.582 4.589 50 0 IJAARN CCc1cccc(-n2c(N)c(C(=O)NCc3ccc(C)cc3)c3nc4ccccc4nc32)c1 ZINC000002257146 569217064 /nfs/dbraw/zinc/21/70/64/569217064.db2.gz SGFPHLDFELGZGD-UHFFFAOYSA-N 0 0 435.531 4.957 50 0 IJAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCC3 ZINC000002271798 569217554 /nfs/dbraw/zinc/21/75/54/569217554.db2.gz OUTRWAFAGPSIPX-UHFFFAOYSA-N 0 0 440.594 4.875 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002277837 569217946 /nfs/dbraw/zinc/21/79/46/569217946.db2.gz SWUCSANFULEBLS-UHFFFAOYSA-N 0 0 430.325 4.819 50 0 IJAARN Cc1cccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000027521049 569218299 /nfs/dbraw/zinc/21/82/99/569218299.db2.gz BRCBXBBRVOPWKF-XKZIYDEJSA-N 0 0 428.488 4.750 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027527478 569263199 /nfs/dbraw/zinc/26/31/99/569263199.db2.gz BDZPQIGKRRBJID-UHFFFAOYSA-N 0 0 440.286 4.763 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)Nc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291896 569268020 /nfs/dbraw/zinc/26/80/20/569268020.db2.gz OLTFCDCTVIOCOW-UHFFFAOYSA-N 0 0 437.503 4.784 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)cc1 ZINC000002291378 569268042 /nfs/dbraw/zinc/26/80/42/569268042.db2.gz JHAMUAYEWVWBPF-UHFFFAOYSA-N 0 0 441.466 4.615 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=NN2C(=O)c2cccs2)cc1OC ZINC000253431196 569268503 /nfs/dbraw/zinc/26/85/03/569268503.db2.gz ZNEFSFOBFUVUKE-FQEVSTJZSA-N 0 0 435.549 4.823 50 0 IJAARN CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(CC)CC ZINC000002315009 569272285 /nfs/dbraw/zinc/27/22/85/569272285.db2.gz QSPZMPYGNWOLPE-UHFFFAOYSA-N 0 0 436.577 4.628 50 0 IJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)Cc1cccs1 ZINC000002316479 569272420 /nfs/dbraw/zinc/27/24/20/569272420.db2.gz XZKXLAGKHLXBMB-UHFFFAOYSA-N 0 0 430.576 4.627 50 0 IJAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002316951 569272481 /nfs/dbraw/zinc/27/24/81/569272481.db2.gz HZEODNLLDDOKNT-QGZVFWFLSA-N 0 0 449.931 4.780 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 ZINC000002320858 569274017 /nfs/dbraw/zinc/27/40/17/569274017.db2.gz DNGMJIVDZHDKDW-UHFFFAOYSA-N 0 0 436.324 4.979 50 0 IJAARN Cc1cc(C)c2oc(C(=O)Nc3nnc(SCc4ccccc4F)s3)cc(=O)c2c1 ZINC000002331806 569274655 /nfs/dbraw/zinc/27/46/55/569274655.db2.gz LGFPOARNMZRNAC-UHFFFAOYSA-N 0 0 441.509 4.945 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000002346326 569281081 /nfs/dbraw/zinc/28/10/81/569281081.db2.gz AWCFSOZPODDTKE-UHFFFAOYSA-N 0 0 425.488 4.777 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccsc1)c1ccco1 ZINC000253471830 569282690 /nfs/dbraw/zinc/28/26/90/569282690.db2.gz FXFWHJPICPBOPA-OAQYLSRUSA-N 0 0 428.897 4.624 50 0 IJAARN COc1ccc([C@@H]2Oc3ccc(F)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002363154 569287783 /nfs/dbraw/zinc/28/77/83/569287783.db2.gz CTTVQNNUWJPABR-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002364978 569288314 /nfs/dbraw/zinc/28/83/14/569288314.db2.gz OFIUGTPXNKMYDM-UHFFFAOYSA-N 0 0 449.557 4.869 50 0 IJAARN CCCCCCNC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002366075 569288332 /nfs/dbraw/zinc/28/83/32/569288332.db2.gz UVVFXSZMLGXFFD-UHFFFAOYSA-N 0 0 445.567 4.728 50 0 IJAARN Cc1cc(C)n(-c2cnc3cc(-c4cnn(C)c4C(F)(F)F)nn3c2-c2ccccc2)n1 ZINC000008873587 569291750 /nfs/dbraw/zinc/29/17/50/569291750.db2.gz XXGWWSHFPOCXQW-UHFFFAOYSA-N 0 0 437.429 4.618 50 0 IJAARN COc1ccc(OC)c([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000002383219 569293720 /nfs/dbraw/zinc/29/37/20/569293720.db2.gz DOFHKWMKGXFOFC-YUDQIZAISA-N 0 0 433.485 4.714 50 0 IJAARN CCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cc(C)ccc3nc21 ZINC000002389276 569296240 /nfs/dbraw/zinc/29/62/40/569296240.db2.gz XIAPSWMZRPEWPW-UHFFFAOYSA-N 0 0 434.496 4.581 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000009445316 569296516 /nfs/dbraw/zinc/29/65/16/569296516.db2.gz DEUGMTQAEDGVLM-MRXNPFEDSA-N 0 0 441.578 4.626 50 0 IJAARN CC(=O)c1cccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002394050 569298078 /nfs/dbraw/zinc/29/80/78/569298078.db2.gz JDPOYWFKRBTGNW-UHFFFAOYSA-N 0 0 436.471 4.716 50 0 IJAARN Nc1nc2sc3c(c2c2nnc(SCc4ccc(Br)cc4)n21)CCCC3 ZINC000002394021 569298114 /nfs/dbraw/zinc/29/81/14/569298114.db2.gz GVIPEROEQVDZJG-UHFFFAOYSA-N 0 0 446.399 4.855 50 0 IJAARN COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2cc(Cl)ccc2O)cc1OC ZINC000002401797 569299629 /nfs/dbraw/zinc/29/96/29/569299629.db2.gz IEIPENLXEZMDDY-FQEVSTJZSA-N 0 0 439.939 4.944 50 0 IJAARN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000002403651 569299872 /nfs/dbraw/zinc/29/98/72/569299872.db2.gz XBXMTDKZZYUJDI-UHFFFAOYSA-N 0 0 435.940 4.710 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1C[C@H]1CCCO1 ZINC000002405550 569300107 /nfs/dbraw/zinc/30/01/07/569300107.db2.gz KJQNSHVGRNBSCR-BEFAXECRSA-N 0 0 430.287 4.824 50 0 IJAARN CCCc1noc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)n1 ZINC000027809670 569300641 /nfs/dbraw/zinc/30/06/41/569300641.db2.gz GKPJLOMRNBJBND-LBPRGKRZSA-N 0 0 430.917 4.880 50 0 IJAARN CCCCCCNC(=O)c1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002410804 569300783 /nfs/dbraw/zinc/30/07/83/569300783.db2.gz PUVPHBTUAFJZFU-UHFFFAOYSA-N 0 0 433.531 4.859 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)c1 ZINC000002414796 569301422 /nfs/dbraw/zinc/30/14/22/569301422.db2.gz JWBHBKBWXWCEJG-FQEVSTJZSA-N 0 0 447.516 4.800 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CN(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002416384 569301520 /nfs/dbraw/zinc/30/15/20/569301520.db2.gz LUHQVJUSDOJGIP-UHFFFAOYSA-N 0 0 438.528 4.632 50 0 IJAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C[C@H](c2ccccc2)N3)cc1 ZINC000002419504 569301777 /nfs/dbraw/zinc/30/17/77/569301777.db2.gz RWTJWDGNESMYHL-DHIUTWEWSA-N 0 0 439.519 4.614 50 0 IJAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C[C@@H](c2ccccc2)N3)cc1 ZINC000002419505 569301785 /nfs/dbraw/zinc/30/17/85/569301785.db2.gz RWTJWDGNESMYHL-GOTSBHOMSA-N 0 0 439.519 4.614 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002425443 569302481 /nfs/dbraw/zinc/30/24/81/569302481.db2.gz OENCJCDADFKYKD-FQEVSTJZSA-N 0 0 432.501 4.933 50 0 IJAARN Cc1ccc(-n2ncc3c4nc(CSc5nc6ccccc6s5)nn4cnc32)cc1 ZINC000002447261 569304481 /nfs/dbraw/zinc/30/44/81/569304481.db2.gz JHNRUVFPNYKYGQ-UHFFFAOYSA-N 0 0 429.534 4.674 50 0 IJAARN COc1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)cc1Cl ZINC000012981911 569305863 /nfs/dbraw/zinc/30/58/63/569305863.db2.gz VAQYRYHPULYBLG-UHFFFAOYSA-N 0 0 443.668 4.555 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 ZINC000013009870 569306544 /nfs/dbraw/zinc/30/65/44/569306544.db2.gz RKQDBFJVJYZZPY-UHFFFAOYSA-N 0 0 448.914 4.937 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cc(F)c(F)cc4Cl)cc3)nn2)n1 ZINC000013009707 569306545 /nfs/dbraw/zinc/30/65/45/569306545.db2.gz PFBCFRGRCWJBQU-UHFFFAOYSA-N 0 0 440.841 4.898 50 0 IJAARN COc1cccc(NC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)c1 ZINC000013010337 569306840 /nfs/dbraw/zinc/30/68/40/569306840.db2.gz LPALSAQHLKOMMM-UHFFFAOYSA-N 0 0 430.551 4.642 50 0 IJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013014611 569307011 /nfs/dbraw/zinc/30/70/11/569307011.db2.gz HHRRGHLFGTWUKD-UHFFFAOYSA-N 0 0 449.981 4.537 50 0 IJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013068973 569308860 /nfs/dbraw/zinc/30/88/60/569308860.db2.gz MIDGNCFMUWBJJV-UHFFFAOYSA-N 0 0 444.597 4.701 50 0 IJAARN COc1ccc2ccc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)cc2c1 ZINC000013071590 569309012 /nfs/dbraw/zinc/30/90/12/569309012.db2.gz WZXSTSCSPIYMPU-UHFFFAOYSA-N 0 0 447.560 4.966 50 0 IJAARN C[C@H](OC(=O)CCCOc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013071037 569309047 /nfs/dbraw/zinc/30/90/47/569309047.db2.gz XWTRALVMVCVGDL-AWEZNQCLSA-N 0 0 446.475 4.818 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000013163960 569312399 /nfs/dbraw/zinc/31/23/99/569312399.db2.gz MDZDXWOSQADHEJ-QGZVFWFLSA-N 0 0 439.167 4.656 50 0 IJAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)NCc3ccccc3)c2c1 ZINC000013283407 569312708 /nfs/dbraw/zinc/31/27/08/569312708.db2.gz AUQRUUBALYBSJX-UHFFFAOYSA-N 0 0 444.604 4.999 50 0 IJAARN Cc1c(S(=O)(=O)N2CCc3ccccc3C2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000013346236 569312897 /nfs/dbraw/zinc/31/28/97/569312897.db2.gz NZBXNJYVJVONBD-UHFFFAOYSA-N 0 0 449.601 4.871 50 0 IJAARN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 ZINC000078648519 569316748 /nfs/dbraw/zinc/31/67/48/569316748.db2.gz KXUGMQXVJGPYRH-FQEVSTJZSA-N 0 0 442.441 4.502 50 0 IJAARN CCCC12CN3CC(CCC)(CN(C1)C3c1cc(Br)ccc1OCC)C2=O ZINC000019334168 569318582 /nfs/dbraw/zinc/31/85/82/569318582.db2.gz IBAFJQFNYCHVQJ-UHFFFAOYSA-N 0 0 435.406 4.633 50 0 IJAARN O=C(CCc1ccc(F)cc1)NC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000078742858 569318826 /nfs/dbraw/zinc/31/88/26/569318826.db2.gz ZDRWPLJOTHTQTO-DEOSSOPVSA-N 0 0 436.502 4.504 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nnc(CNC(c2cccs2)c2cccs2)s1 ZINC000078968911 569320852 /nfs/dbraw/zinc/32/08/52/569320852.db2.gz ALINIOKQKAIRMZ-UHFFFAOYSA-N 0 0 444.582 4.609 50 0 IJAARN CC(=O)N1C[C@@H](C)CN(Cc2nc(-c3ccc(Br)s3)no2)c2ccccc21 ZINC000078970465 569320989 /nfs/dbraw/zinc/32/09/89/569320989.db2.gz WHGKMEBKJPMBJT-LBPRGKRZSA-N 0 0 447.358 4.570 50 0 IJAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000079015180 569321960 /nfs/dbraw/zinc/32/19/60/569321960.db2.gz JQKZUZKOWJICLJ-GMAHTHKFSA-N 0 0 444.547 4.997 50 0 IJAARN Cc1cc(C)nc(N2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000079480651 569330862 /nfs/dbraw/zinc/33/08/62/569330862.db2.gz HXOABUKCBJDSES-UHFFFAOYSA-N 0 0 428.580 4.648 50 0 IJAARN Cc1cc(=O)c(OCc2ccccc2Cl)cn1CC(=O)Nc1cccc2c1ccn2C ZINC000079482928 569331018 /nfs/dbraw/zinc/33/10/18/569331018.db2.gz ORHUAAPJXOBYCE-UHFFFAOYSA-N 0 0 435.911 4.520 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCCC(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000002463664 569331781 /nfs/dbraw/zinc/33/17/81/569331781.db2.gz QMSPTSFDDIOBCU-OAQYLSRUSA-N 0 0 430.570 4.713 50 0 IJAARN Cc1ccccc1-c1nc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)ns1 ZINC000020059921 569333014 /nfs/dbraw/zinc/33/30/14/569333014.db2.gz ONQRHBUJAZSLFY-UHFFFAOYSA-N 0 0 439.591 4.738 50 0 IJAARN COc1ccc2nc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)sc2c1 ZINC000020115863 569335006 /nfs/dbraw/zinc/33/50/06/569335006.db2.gz CPENIRGGFSOOQZ-UXHICEINSA-N 0 0 449.557 4.916 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(C)cc1 ZINC000020133854 569335573 /nfs/dbraw/zinc/33/55/73/569335573.db2.gz CJMNUPLPRHZCPN-HXUWFJFHSA-N 0 0 438.528 4.870 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](c3ccsc3)c3cccs3)n(C)n2)c1 ZINC000390826268 569353809 /nfs/dbraw/zinc/35/38/09/569353809.db2.gz GSSQJIPNMMNYHI-OAQYLSRUSA-N 0 0 439.562 4.747 50 0 IJAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390828858 569354096 /nfs/dbraw/zinc/35/40/96/569354096.db2.gz BZIJPEYBUNQCTF-NRFANRHFSA-N 0 0 429.538 4.556 50 0 IJAARN COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4ccc(F)cc4)cc3N(C)C2=O)cc1 ZINC000020179617 569354734 /nfs/dbraw/zinc/35/47/34/569354734.db2.gz MCFYNTDAKVNTPT-QRVIBDJDSA-N 0 0 448.519 4.874 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2)S3)cc1 ZINC000020179555 569354744 /nfs/dbraw/zinc/35/47/44/569354744.db2.gz ZZTIYGZIOOEDRI-OEAKJJBVSA-N 0 0 430.529 4.735 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)N1CCCC1 ZINC000020180994 569355216 /nfs/dbraw/zinc/35/52/16/569355216.db2.gz AEJDOENXYXCRPE-CPNJWEJPSA-N 0 0 443.366 4.551 50 0 IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000020180936 569355219 /nfs/dbraw/zinc/35/52/19/569355219.db2.gz RKJUNJUPCGJECS-AXYGZTAOSA-N 0 0 436.577 4.870 50 0 IJAARN Cc1cc(N2CCCC2)nc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc12 ZINC000020183110 569355547 /nfs/dbraw/zinc/35/55/47/569355547.db2.gz DCUJIKZIVTUCND-UHFFFAOYSA-N 0 0 431.609 4.662 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020213513 569356575 /nfs/dbraw/zinc/35/65/75/569356575.db2.gz HUAVYNVKGMFIGV-FQEVSTJZSA-N 0 0 447.457 4.893 50 0 IJAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242786 569358342 /nfs/dbraw/zinc/35/83/42/569358342.db2.gz XAAHDPRFNHAOMA-YTTGMZPUSA-N 0 0 446.572 4.790 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1cccs1 ZINC000020286380 569359222 /nfs/dbraw/zinc/35/92/22/569359222.db2.gz NMNPPZGBZPBXIR-OAHLLOKOSA-N 0 0 441.530 4.802 50 0 IJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC[C@H](C)C3)c2c1 ZINC000020381744 569362674 /nfs/dbraw/zinc/36/26/74/569362674.db2.gz DIWNAXYYNVVJGI-KRWDZBQOSA-N 0 0 440.565 4.711 50 0 IJAARN COc1cccc(CNC(=O)Nc2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CS3)c1 ZINC000020385689 569362962 /nfs/dbraw/zinc/36/29/62/569362962.db2.gz PHNHMUWHYOUKJD-UHFFFAOYSA-N 0 0 447.560 4.964 50 0 IJAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccc(Br)c2)c1C ZINC000020385349 569362979 /nfs/dbraw/zinc/36/29/79/569362979.db2.gz KDYDPWGAPMTACK-UHFFFAOYSA-N 0 0 425.326 4.745 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000095393815 569363559 /nfs/dbraw/zinc/36/35/59/569363559.db2.gz IJEPIIMERPHFHW-LJQANCHMSA-N 0 0 428.410 4.808 50 0 IJAARN CC[C@@H](Sc1ccccc1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000020441075 569365767 /nfs/dbraw/zinc/36/57/67/569365767.db2.gz ZNVNQIJSJMBVIR-QGZVFWFLSA-N 0 0 448.411 4.943 50 0 IJAARN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000095434544 569366453 /nfs/dbraw/zinc/36/64/53/569366453.db2.gz YIJZRQQWWPXCNZ-KGLIPLIRSA-N 0 0 435.977 4.839 50 0 IJAARN O=C(C[C@@H]1CCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccc(F)cc1 ZINC000095467629 569371045 /nfs/dbraw/zinc/37/10/45/569371045.db2.gz KYZPWQQTWNBUIL-KRWDZBQOSA-N 0 0 430.405 4.938 50 0 IJAARN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000095467090 569371082 /nfs/dbraw/zinc/37/10/82/569371082.db2.gz GDVZCYMFEGEUEI-QFIPXVFZSA-N 0 0 435.568 4.950 50 0 IJAARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2nc[nH]n2)cc1F ZINC000095467784 569371229 /nfs/dbraw/zinc/37/12/29/569371229.db2.gz GJBQVVPTAROJPZ-KRWDZBQOSA-N 0 0 434.519 4.826 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000095475158 569372727 /nfs/dbraw/zinc/37/27/27/569372727.db2.gz UHICJOFSJNVULT-PLMTUMEDSA-N 0 0 426.384 4.659 50 0 IJAARN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCc1ccccc1Cl ZINC000095482460 569374315 /nfs/dbraw/zinc/37/43/15/569374315.db2.gz YEZWMYGKIZERAK-UHFFFAOYSA-N 0 0 434.721 4.744 50 0 IJAARN O=S(=O)(Nc1c(Br)cccc1Br)c1ccccc1Cl ZINC000095944133 569375685 /nfs/dbraw/zinc/37/56/85/569375685.db2.gz KLJLYPVFPYRHKT-UHFFFAOYSA-N 0 0 425.529 4.666 50 0 IJAARN CC[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095992926 569378296 /nfs/dbraw/zinc/37/82/96/569378296.db2.gz HVFFAMQQQADFSN-KBPBESRZSA-N 0 0 438.393 4.954 50 0 IJAARN COc1ccc(-c2nnc(N3CCC(NC(=O)OC(C)(C)C)CC3)c3ccccc32)cc1 ZINC000096006374 569379329 /nfs/dbraw/zinc/37/93/29/569379329.db2.gz FEEONWHBLILKAP-UHFFFAOYSA-N 0 0 434.540 4.799 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000096103761 569382105 /nfs/dbraw/zinc/38/21/05/569382105.db2.gz BIPIMQRRVKLEQH-UHFFFAOYSA-N 0 0 438.837 4.826 50 0 IJAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1cccc2[nH]ccc21 ZINC000096115296 569383117 /nfs/dbraw/zinc/38/31/17/569383117.db2.gz HHSMFRIXBFYVIR-UHFFFAOYSA-N 0 0 426.428 4.664 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccnc2N2CCCCC2)S1 ZINC000096116934 569383989 /nfs/dbraw/zinc/38/39/89/569383989.db2.gz RMSMDNHMMCJBEC-APWZRJJASA-N 0 0 441.601 4.578 50 0 IJAARN O=C(c1ccsc1)c1ccc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000096119854 569384772 /nfs/dbraw/zinc/38/47/72/569384772.db2.gz ZSNQIHARIWUEPC-UHFFFAOYSA-N 0 0 445.509 4.679 50 0 IJAARN C/C=C\c1cc(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1OC ZINC000096128275 569385748 /nfs/dbraw/zinc/38/57/48/569385748.db2.gz WALMWRQTSIUAFC-AEZSJILPSA-N 0 0 436.464 4.570 50 0 IJAARN COc1ccc([C@@H](NC(=O)/C=C\c2ccc(-c3ccccc3F)o2)c2nccn2C)cc1 ZINC000096129251 569385764 /nfs/dbraw/zinc/38/57/64/569385764.db2.gz XTILCTPDFHNPNN-PEBGULEFSA-N 0 0 431.467 4.747 50 0 IJAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)NCc3ccco3)n2Cc2ccc(F)cc2)c1 ZINC000096275179 569388305 /nfs/dbraw/zinc/38/83/05/569388305.db2.gz KWTJNAUEAPHZJR-UHFFFAOYSA-N 0 0 433.483 4.946 50 0 IJAARN CC(C)CC(=O)Nc1ccc2c(cc(C(=O)NC[C@]3(C)CCCO3)n2Cc2ccccc2)c1 ZINC000096275658 569388431 /nfs/dbraw/zinc/38/84/31/569388431.db2.gz DTSDTTQJGNINOX-MHZLTWQESA-N 0 0 447.579 4.973 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2OC)=C1C ZINC000096278252 569388999 /nfs/dbraw/zinc/38/89/99/569388999.db2.gz MUUKJTCVUYOYDR-IBGZPJMESA-N 0 0 449.498 4.878 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCCC(C)C ZINC000096281175 569389826 /nfs/dbraw/zinc/38/98/26/569389826.db2.gz KVFPRNSHOWVRHT-IZZNHLLZSA-N 0 0 448.607 4.890 50 0 IJAARN COc1cccc(C(=O)COc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)c1 ZINC000096281006 569389859 /nfs/dbraw/zinc/38/98/59/569389859.db2.gz POMURYQHKWVBOO-UHFFFAOYSA-N 0 0 446.459 4.691 50 0 IJAARN CC[C@H](C(=O)N1CCOCC1)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096288086 569390418 /nfs/dbraw/zinc/39/04/18/569390418.db2.gz UVGKDFHZDAPPIC-LJQANCHMSA-N 0 0 432.351 4.744 50 0 IJAARN CC(C)(C)CC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)CC1CC1 ZINC000096290661 569391065 /nfs/dbraw/zinc/39/10/65/569391065.db2.gz BNZWIUNTINSDBG-UHFFFAOYSA-N 0 0 433.545 4.768 50 0 IJAARN O=C(NC1CC1)c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2F)c1 ZINC000096291199 569391095 /nfs/dbraw/zinc/39/10/95/569391095.db2.gz QMHOVGMRCOSNCL-UHFFFAOYSA-N 0 0 445.523 4.653 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096292963 569391478 /nfs/dbraw/zinc/39/14/78/569391478.db2.gz RNFXQRSVYBBQJP-BUXKBTBVSA-N 0 0 446.454 4.941 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccco3)[C@@H](C)c3ccccc3)n2)cc1OC ZINC000096293274 569391603 /nfs/dbraw/zinc/39/16/03/569391603.db2.gz NDLLVDCPJNISBX-KRWDZBQOSA-N 0 0 447.491 4.793 50 0 IJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)o1)Cc1ccccc1F ZINC000096322772 569394868 /nfs/dbraw/zinc/39/48/68/569394868.db2.gz AUHCSLWSNGLGIJ-UHFFFAOYSA-N 0 0 432.860 4.904 50 0 IJAARN Cc1noc(-c2cc(S(=O)(=O)NCc3cccc(Br)c3)c(C)s2)c1C ZINC000096323578 569395332 /nfs/dbraw/zinc/39/53/32/569395332.db2.gz HVBMLSSAFUSJQU-UHFFFAOYSA-N 0 0 441.372 4.569 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn32)C1 ZINC000096323790 569395511 /nfs/dbraw/zinc/39/55/11/569395511.db2.gz PCIMTQOYXICTNS-UHFFFAOYSA-N 0 0 427.892 4.841 50 0 IJAARN COc1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(Cl)cc5)nn43)C2)c1 ZINC000096323776 569395515 /nfs/dbraw/zinc/39/55/15/569395515.db2.gz BFVMQHFICFUIDJ-UHFFFAOYSA-N 0 0 439.928 4.710 50 0 IJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(F)cc2F)C4)cc1 ZINC000096323871 569395602 /nfs/dbraw/zinc/39/56/02/569395602.db2.gz OFDBEKYFBMOQFH-UHFFFAOYSA-N 0 0 425.464 4.635 50 0 IJAARN CCCn1cc(C2=CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000096386495 569398674 /nfs/dbraw/zinc/39/86/74/569398674.db2.gz PKHCTCLMIDINSS-UHFFFAOYSA-N 0 0 429.973 4.719 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nccnc2N2CCOCC2)c1 ZINC000096386623 569398685 /nfs/dbraw/zinc/39/86/85/569398685.db2.gz VRAGGJFWFBCUMG-UHFFFAOYSA-N 0 0 443.429 4.643 50 0 IJAARN Cc1oc(C2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc1C(=O)N1CCCC1 ZINC000096397055 569399321 /nfs/dbraw/zinc/39/93/21/569399321.db2.gz QEVLZVDQETUCHR-UHFFFAOYSA-N 0 0 430.936 4.592 50 0 IJAARN Cc1oc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc1Cn1cccn1 ZINC000096397225 569399427 /nfs/dbraw/zinc/39/94/27/569399427.db2.gz AJAXCIQODHUXQR-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN 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CCOc1ccc(Oc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)cc1 ZINC000029416633 569430158 /nfs/dbraw/zinc/43/01/58/569430158.db2.gz YMKFWKIRVLKWAY-UHFFFAOYSA-N 0 0 430.460 4.933 50 0 IJAARN CCCCn1c(SCC(=O)NCc2ccccc2)nc2c3ccccc3sc2c1=O ZINC000002962065 569432727 /nfs/dbraw/zinc/43/27/27/569432727.db2.gz YQUSWGKKOBUPEK-UHFFFAOYSA-N 0 0 437.590 4.820 50 0 IJAARN COc1cccc(CSc2nc3ccccc3c3nc(CCn4nc(C)cc4C)nn32)c1 ZINC000002969605 569433233 /nfs/dbraw/zinc/43/32/33/569433233.db2.gz NTGGDWBUCIHDAG-UHFFFAOYSA-N 0 0 444.564 4.634 50 0 IJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057425336 569434376 /nfs/dbraw/zinc/43/43/76/569434376.db2.gz CPDVPZMSMDNJNV-UHFFFAOYSA-N 0 0 427.473 4.618 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)cc1C ZINC000057426351 569434583 /nfs/dbraw/zinc/43/45/83/569434583.db2.gz IFFHJWLSHXJGGW-UHFFFAOYSA-N 0 0 435.574 4.854 50 0 IJAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2F)ccc1F ZINC000057428668 569434921 /nfs/dbraw/zinc/43/49/21/569434921.db2.gz 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Cc1ccc(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc2F)cc1Cl ZINC000003023712 569436134 /nfs/dbraw/zinc/43/61/34/569436134.db2.gz CAMRRHBGDPLBCO-VBKZILBWSA-N 0 0 438.952 4.897 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000003023824 569436171 /nfs/dbraw/zinc/43/61/71/569436171.db2.gz LOAIKQPHHHKNDD-UHFFFAOYSA-N 0 0 432.904 4.518 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000057487481 569436729 /nfs/dbraw/zinc/43/67/29/569436729.db2.gz XUOQEBAKAUFTRQ-UHFFFAOYSA-N 0 0 447.585 4.975 50 0 IJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1)c1ccccc1 ZINC000057487391 569436744 /nfs/dbraw/zinc/43/67/44/569436744.db2.gz UMDKKLRYCIFFKR-UHFFFAOYSA-N 0 0 435.574 4.901 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)Nc1ccccc1F ZINC000057487808 569436828 /nfs/dbraw/zinc/43/68/28/569436828.db2.gz VDFVQIIHKJJRTJ-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)C1 ZINC000057487783 569436838 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/nfs/dbraw/zinc/44/23/93/569442393.db2.gz UERNJPNVXZHLJG-LJQANCHMSA-N 0 0 443.528 4.536 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccco1 ZINC000003235263 569442424 /nfs/dbraw/zinc/44/24/24/569442424.db2.gz FXGDJAGXBPONCE-UHFFFAOYSA-N 0 0 433.247 4.878 50 0 IJAARN COc1ccc(-c2nn(CN(CC(C)C)CC(C)C)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000003246230 569442717 /nfs/dbraw/zinc/44/27/17/569442717.db2.gz UVDWWRTXIIHZGY-NRFANRHFSA-N 0 0 432.634 4.840 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1Cl ZINC000003247858 569442784 /nfs/dbraw/zinc/44/27/84/569442784.db2.gz DFCFRNUTCSHOKZ-UHFFFAOYSA-N 0 0 439.899 4.909 50 0 IJAARN CCN(c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1)C(C)C ZINC000003252447 569442941 /nfs/dbraw/zinc/44/29/41/569442941.db2.gz QTTNGLIARVFPID-UHFFFAOYSA-N 0 0 425.554 4.646 50 0 IJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ncc(Cl)cc1Cl ZINC000003258788 569443150 /nfs/dbraw/zinc/44/31/50/569443150.db2.gz PBLRLGLFABZOSD-UHFFFAOYSA-N 0 0 429.259 4.808 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)Cn4ncc(Cl)c(Cl)c4=O)cc3)sc2c1 ZINC000003266266 569443400 /nfs/dbraw/zinc/44/34/00/569443400.db2.gz VYEABJGVOWFQEN-UHFFFAOYSA-N 0 0 445.331 4.774 50 0 IJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Br)cc2)n1)CCC3 ZINC000003267073 569443421 /nfs/dbraw/zinc/44/34/21/569443421.db2.gz FNMMOWGXMCFVAJ-UHFFFAOYSA-N 0 0 434.384 4.982 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)OCc1ccccc1 ZINC000003273548 569443653 /nfs/dbraw/zinc/44/36/53/569443653.db2.gz HTBBXDLQSIXXNM-UHFFFAOYSA-N 0 0 425.868 4.723 50 0 IJAARN CC(=O)c1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1 ZINC000003279518 569443799 /nfs/dbraw/zinc/44/37/99/569443799.db2.gz AJLIYCVMXOYEBC-UHFFFAOYSA-N 0 0 443.908 4.587 50 0 IJAARN CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000003280774 569443911 /nfs/dbraw/zinc/44/39/11/569443911.db2.gz XEJNMIJGFMOBEN-FQEVSTJZSA-N 0 0 440.883 4.679 50 0 IJAARN CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc(C)ccc3C)cs2)cc1OC ZINC000057985697 569443974 /nfs/dbraw/zinc/44/39/74/569443974.db2.gz VCZYPUSCTICNNC-UHFFFAOYSA-N 0 0 431.579 4.949 50 0 IJAARN Cc1sc2c(c1C)CSC(C(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)=C2 ZINC000057996221 569444363 /nfs/dbraw/zinc/44/43/63/569444363.db2.gz ZEWMJAGPXWUGDR-UHFFFAOYSA-N 0 0 448.057 4.544 50 0 IJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 ZINC000003293187 569444543 /nfs/dbraw/zinc/44/45/43/569444543.db2.gz PDNKTKCFQIXBCR-UHFFFAOYSA-N 0 0 442.519 4.765 50 0 IJAARN CCOC(=O)[C@H](NC(=O)c1ccc(F)cc1Br)c1cccc2ccccc21 ZINC000058015996 569444949 /nfs/dbraw/zinc/44/49/49/569444949.db2.gz FZXXQQJKOBGIJL-LJQANCHMSA-N 0 0 430.273 4.776 50 0 IJAARN O=C(COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000003302441 569445076 /nfs/dbraw/zinc/44/50/76/569445076.db2.gz CKZVDAJXGWVQKV-JKSUJKDBSA-N 0 0 431.941 4.523 50 0 IJAARN Cc1sc2[nH]c(COC(=O)c3cc(-c4ccco4)nc4ccccc43)nc(=O)c2c1C ZINC000003302818 569445139 /nfs/dbraw/zinc/44/51/39/569445139.db2.gz GYZFYDHDKGVBML-UHFFFAOYSA-N 0 0 431.473 4.767 50 0 IJAARN Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)o1 ZINC000003307726 569445314 /nfs/dbraw/zinc/44/53/14/569445314.db2.gz UNILTZLNMHJAKZ-OAHLLOKOSA-N 0 0 444.443 4.716 50 0 IJAARN CC(C)CCn1c(SCC(=O)NCc2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000003315294 569445694 /nfs/dbraw/zinc/44/56/94/569445694.db2.gz LAPQXIQZDVHBBV-UHFFFAOYSA-N 0 0 429.973 4.505 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000003327661 569446259 /nfs/dbraw/zinc/44/62/59/569446259.db2.gz HZQWFWDPDCWYJP-UHFFFAOYSA-N 0 0 447.535 4.573 50 0 IJAARN Cc1sc2nc(-c3cccnc3)nc(NCC(=O)Nc3ccc(F)c(F)c3F)c2c1C ZINC000003332656 569446571 /nfs/dbraw/zinc/44/65/71/569446571.db2.gz MLLQBRNOKLFGHT-UHFFFAOYSA-N 0 0 443.454 4.838 50 0 IJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cc(Br)co3)s2)cc1 ZINC000058088788 569446995 /nfs/dbraw/zinc/44/69/95/569446995.db2.gz NCELUCXZPPJQQY-AUWJEWJLSA-N 0 0 438.734 4.869 50 0 IJAARN O=C(CCCSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(Br)cc1 ZINC000003352278 569447419 /nfs/dbraw/zinc/44/74/19/569447419.db2.gz ACQOJCNALMGINV-UHFFFAOYSA-N 0 0 447.310 4.983 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)n1N ZINC000003351804 569447423 /nfs/dbraw/zinc/44/74/23/569447423.db2.gz YIFWUGJBISGRAK-UHFFFAOYSA-N 0 0 439.585 4.645 50 0 IJAARN CCc1ccc(N2C[C@@H](C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)CC2=O)cc1 ZINC000003354855 569447586 /nfs/dbraw/zinc/44/75/86/569447586.db2.gz DZOYJXXCGRVJOY-WBVHZDCISA-N 0 0 441.984 4.780 50 0 IJAARN FC(F)(F)c1ccc(N2CCCCC2)c(NC(=S)NCc2ccc3c(c2)OCO3)c1 ZINC000003359022 569447780 /nfs/dbraw/zinc/44/77/80/569447780.db2.gz ALOYEEUQGCPOJO-UHFFFAOYSA-N 0 0 437.487 4.911 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1C[C@H]1CCCO1 ZINC000003362204 569447988 /nfs/dbraw/zinc/44/79/88/569447988.db2.gz XTAQGAVGZWSTFS-LJQANCHMSA-N 0 0 434.536 4.684 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000003399327 569449547 /nfs/dbraw/zinc/44/95/47/569449547.db2.gz DZOGDBHIHQOPAF-UHFFFAOYSA-N 0 0 441.713 4.758 50 0 IJAARN COc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2F)cc1 ZINC000003408664 569449980 /nfs/dbraw/zinc/44/99/80/569449980.db2.gz KOLHQWLKHWOKHP-UHFFFAOYSA-N 0 0 449.507 4.969 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000003412502 569450103 /nfs/dbraw/zinc/45/01/03/569450103.db2.gz LURNTUGBKUXGRZ-UHFFFAOYSA-N 0 0 446.931 4.624 50 0 IJAARN CC(=O)NCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000003419535 569450339 /nfs/dbraw/zinc/45/03/39/569450339.db2.gz ACKPQDVTHVZDHT-UHFFFAOYSA-N 0 0 436.895 4.828 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccc(O)cc1O ZINC000003436499 569451035 /nfs/dbraw/zinc/45/10/35/569451035.db2.gz XZKYNFLCDOWXRO-UHFFFAOYSA-N 0 0 430.913 4.551 50 0 IJAARN Cc1ccc(OCc2ccc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)o2)cc1 ZINC000030947047 569451422 /nfs/dbraw/zinc/45/14/22/569451422.db2.gz IQDNYSJCWNWCSR-UHFFFAOYSA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000003464318 569451923 /nfs/dbraw/zinc/45/19/23/569451923.db2.gz BEHJCVHZNFETLY-IRXDYDNUSA-N 0 0 435.593 4.599 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N(C)c1ccccc1 ZINC000003465958 569451971 /nfs/dbraw/zinc/45/19/71/569451971.db2.gz QPECAEOVZJXEMW-INIZCTEOSA-N 0 0 433.508 4.668 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000003472407 569452173 /nfs/dbraw/zinc/45/21/73/569452173.db2.gz WJQBRHJXIGEQSI-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCOc1cccc(C)c1 ZINC000003486597 569452419 /nfs/dbraw/zinc/45/24/19/569452419.db2.gz OGTFHTZYSJUUKP-UHFFFAOYSA-N 0 0 434.492 4.672 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)N[C@@H](C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000003491914 569452598 /nfs/dbraw/zinc/45/25/98/569452598.db2.gz CKWSTSWRYRWXQB-IBGZPJMESA-N 0 0 443.572 4.723 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000003504358 569452906 /nfs/dbraw/zinc/45/29/06/569452906.db2.gz OIZKWHRWFHNTBJ-SFHVURJKSA-N 0 0 444.560 4.652 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3ccccc3c2=O)cc1 ZINC000003529747 569453306 /nfs/dbraw/zinc/45/33/06/569453306.db2.gz NAOYODSTZZDASO-UHFFFAOYSA-N 0 0 433.577 4.793 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1Cc1ccccc1)N(C)C ZINC000003553121 569453859 /nfs/dbraw/zinc/45/38/59/569453859.db2.gz GJLSVQLJIWOHNJ-NRFANRHFSA-N 0 0 437.613 4.687 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000003558904 569454027 /nfs/dbraw/zinc/45/40/27/569454027.db2.gz WPYXPIWEUOZXRP-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cc(OC)ccc2OC)cc1 ZINC000003582737 569454390 /nfs/dbraw/zinc/45/43/90/569454390.db2.gz IPVXKGFRJAYLIO-QHCPKHFHSA-N 0 0 437.565 4.706 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000003582349 569454396 /nfs/dbraw/zinc/45/43/96/569454396.db2.gz WRTLNZHAGWIWDZ-UHFFFAOYSA-N 0 0 444.491 4.603 50 0 IJAARN CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000003654216 569455750 /nfs/dbraw/zinc/45/57/50/569455750.db2.gz HHHDNYWCXGFXTO-UHFFFAOYSA-N 0 0 445.493 4.525 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000003657859 569455812 /nfs/dbraw/zinc/45/58/12/569455812.db2.gz YWAWUWPQACHGIF-ZEQRLZLVSA-N 0 0 430.504 4.643 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)NC(C)C)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661374 569456004 /nfs/dbraw/zinc/45/60/04/569456004.db2.gz KCKJZJHKIIHETC-JWQCQUIFSA-N 0 0 446.522 4.840 50 0 IJAARN CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccc(F)cc3)cs2)cc1 ZINC000031412518 569456315 /nfs/dbraw/zinc/45/63/15/569456315.db2.gz NARKXRLVOYXICZ-UHFFFAOYSA-N 0 0 430.570 4.940 50 0 IJAARN Cc1ccccc1C(=O)N1CCC(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000031422836 569456425 /nfs/dbraw/zinc/45/64/25/569456425.db2.gz IQIUHLOEDYIOBA-UHFFFAOYSA-N 0 0 426.560 4.796 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)ccc12 ZINC000004046388 569458473 /nfs/dbraw/zinc/45/84/73/569458473.db2.gz MMHYJNIVXYNWHJ-SFHVURJKSA-N 0 0 429.513 4.749 50 0 biogenic IJAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032074668 569459365 /nfs/dbraw/zinc/45/93/65/569459365.db2.gz KRXHOUUQYPJZBV-QGZVFWFLSA-N 0 0 440.887 4.701 50 0 IJAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccccc1I ZINC000004119287 569459712 /nfs/dbraw/zinc/45/97/12/569459712.db2.gz IHVZDDLTAPBCJU-UHFFFAOYSA-N 0 0 441.681 4.715 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OCC(C)C ZINC000032093396 569459740 /nfs/dbraw/zinc/45/97/40/569459740.db2.gz HJJCJIIGDNYQIU-HNNXBMFYSA-N 0 0 441.919 4.791 50 0 IJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)Cc1nccn1C(F)F ZINC000032159642 569460530 /nfs/dbraw/zinc/46/05/30/569460530.db2.gz XTBIMOXYHHZQAV-UHFFFAOYSA-N 0 0 442.297 4.589 50 0 IJAARN CCC(CC)CN(CC)C(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000032263093 569460999 /nfs/dbraw/zinc/46/09/99/569460999.db2.gz JTCYSOVPUXBIDB-UHFFFAOYSA-N 0 0 442.556 4.620 50 0 IJAARN COc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)n2C[C@H]2CCCO2)cc1 ZINC000032384210 569461450 /nfs/dbraw/zinc/46/14/50/569461450.db2.gz UUQDREAPKRFRBQ-JOCHJYFZSA-N 0 0 447.564 4.611 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000008328429 569462590 /nfs/dbraw/zinc/46/25/90/569462590.db2.gz WOTICJXRZCLKNY-SANMLTNESA-N 0 0 427.548 4.900 50 0 IJAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)cc1 ZINC000038486706 569462809 /nfs/dbraw/zinc/46/28/09/569462809.db2.gz SSNXLOQTHWJAIM-UHFFFAOYSA-N 0 0 442.342 4.801 50 0 IJAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cc(C)n(C(C)C)n3)nc21 ZINC000038508316 569463141 /nfs/dbraw/zinc/46/31/41/569463141.db2.gz QBCPUQIEMQIJLE-UHFFFAOYSA-N 0 0 435.553 4.941 50 0 IJAARN Cc1cc2ncn(CC3CCN(C(=O)c4ccccc4Br)CC3)c2cc1C ZINC000038534494 569463179 /nfs/dbraw/zinc/46/31/79/569463179.db2.gz ILPUXRVIIKQBMS-UHFFFAOYSA-N 0 0 426.358 4.968 50 0 IJAARN Cc1cc([C@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546409 569463550 /nfs/dbraw/zinc/46/35/50/569463550.db2.gz SXSULZIUFRFREV-FQEVSTJZSA-N 0 0 429.973 4.892 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1 ZINC000038585872 569464197 /nfs/dbraw/zinc/46/41/97/569464197.db2.gz SRTJGBDXDFIQKC-NTEUORMPSA-N 0 0 448.486 4.514 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000067209128 569464832 /nfs/dbraw/zinc/46/48/32/569464832.db2.gz QTBJPOCKJCCEQJ-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1OC ZINC000008446304 569464892 /nfs/dbraw/zinc/46/48/92/569464892.db2.gz BAMIFFLVBLBVJB-UHFFFAOYSA-N 0 0 449.454 4.910 50 0 IJAARN Cc1cccc(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)c1C ZINC000067217191 569464906 /nfs/dbraw/zinc/46/49/06/569464906.db2.gz KAXLUXFFJGHYHR-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN Cc1ccc(C)c(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)c1 ZINC000067216968 569464918 /nfs/dbraw/zinc/46/49/18/569464918.db2.gz YMQPHPFOAGVOHD-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN COCc1cc(C)nc(N=NCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1C#N ZINC000008451327 569465098 /nfs/dbraw/zinc/46/50/98/569465098.db2.gz FHMMLUFROGIKKC-UHFFFAOYSA-N 0 0 427.483 4.996 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000067257611 569466117 /nfs/dbraw/zinc/46/61/17/569466117.db2.gz PFULUYQPOGPEPV-UHFFFAOYSA-N 0 0 444.354 4.954 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1Cl ZINC000067290096 569467560 /nfs/dbraw/zinc/46/75/60/569467560.db2.gz NOIKQEIHIBYIFP-UHFFFAOYSA-N 0 0 430.942 4.851 50 0 IJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000008584251 569469164 /nfs/dbraw/zinc/46/91/64/569469164.db2.gz XWWQREDEPINYHI-UHFFFAOYSA-N 0 0 441.559 4.925 50 0 IJAARN C[C@@H](NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000008631629 569469523 /nfs/dbraw/zinc/46/95/23/569469523.db2.gz GDLRWAVYZNAJJQ-MRVPVSSYSA-N 0 0 427.637 4.705 50 0 IJAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000008644526 569469623 /nfs/dbraw/zinc/46/96/23/569469623.db2.gz BZLBNCJLDMHCJT-VWLOTQADSA-N 0 0 445.544 4.634 50 0 IJAARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=c1\sc2nc3ccccc3n2c1=O ZINC000008654311 569469698 /nfs/dbraw/zinc/46/96/98/569469698.db2.gz MPBDKBYRKQYQSG-KZSQTELISA-N 0 0 437.524 4.836 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000008704910 569470342 /nfs/dbraw/zinc/47/03/42/569470342.db2.gz JJJILXPGCWIWHA-UHFFFAOYSA-N 0 0 440.971 4.637 50 0 IJAARN c1cc(-c2nc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)cs2)cs1 ZINC000008711015 569470968 /nfs/dbraw/zinc/47/09/68/569470968.db2.gz BHOKSLCUMLRKFQ-UHFFFAOYSA-N 0 0 441.607 4.581 50 0 IJAARN CSCc1nc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008719894 569471482 /nfs/dbraw/zinc/47/14/82/569471482.db2.gz KJKRNWCSCGQOQP-UHFFFAOYSA-N 0 0 436.606 4.915 50 0 IJAARN C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008720174 569471527 /nfs/dbraw/zinc/47/15/27/569471527.db2.gz OQXWWBNVWOOJIB-FQEVSTJZSA-N 0 0 427.504 4.708 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccccc1 ZINC000008720147 569471545 /nfs/dbraw/zinc/47/15/45/569471545.db2.gz GFJBOICLPWGXAY-SFHVURJKSA-N 0 0 428.355 4.951 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2c3ccccc3nc2-c2cscn2)c1 ZINC000008724257 569471936 /nfs/dbraw/zinc/47/19/36/569471936.db2.gz ZSXBPFCKPHVMPD-HXUWFJFHSA-N 0 0 448.548 4.541 50 0 IJAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000008724013 569471953 /nfs/dbraw/zinc/47/19/53/569471953.db2.gz ITSYZVCPVKYQHE-UHFFFAOYSA-N 0 0 436.867 4.696 50 0 IJAARN COc1ccc(C(NC(=O)CN2CCSc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000008747243 569473105 /nfs/dbraw/zinc/47/31/05/569473105.db2.gz CYUNDRIZGFBNII-UHFFFAOYSA-N 0 0 434.561 4.522 50 0 IJAARN COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000008751956 569473460 /nfs/dbraw/zinc/47/34/60/569473460.db2.gz MIVVLOJCELFARM-UHFFFAOYSA-N 0 0 433.504 4.765 50 0 biogenic IJAARN CCOc1cc(Br)c(Cn2cnc3sc(C)c(C)c3c2=O)cc1OCC ZINC000008752696 569473565 /nfs/dbraw/zinc/47/35/65/569473565.db2.gz OWQSDKJBTFULDU-UHFFFAOYSA-N 0 0 437.359 4.683 50 0 IJAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@](O)(C(F)(F)F)C2)cc1OC ZINC000008753851 569473715 /nfs/dbraw/zinc/47/37/15/569473715.db2.gz BHQLXJBASVDSSO-FQEVSTJZSA-N 0 0 449.454 4.693 50 0 IJAARN COc1ccccc1-n1c2c(cc(C(=O)Nc3ccccc3C)c1=O)C(=O)CC(C)(C)C2 ZINC000008757273 569474139 /nfs/dbraw/zinc/47/41/39/569474139.db2.gz OTKXNQVVMWEVFG-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc2c1C ZINC000008764809 569474649 /nfs/dbraw/zinc/47/46/49/569474649.db2.gz WLDPJALCZFDVRA-UHFFFAOYSA-N 0 0 429.428 4.752 50 0 biogenic IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccc(C)o2)c1 ZINC000008769745 569475074 /nfs/dbraw/zinc/47/50/74/569475074.db2.gz NIPMPZZWYMKLGK-UHFFFAOYSA-N 0 0 431.492 4.730 50 0 IJAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000008771655 569475261 /nfs/dbraw/zinc/47/52/61/569475261.db2.gz QZESIJPIZSOLSW-UHFFFAOYSA-N 0 0 433.537 4.858 50 0 IJAARN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccc2c(c1)OCCO2 ZINC000008775831 569475350 /nfs/dbraw/zinc/47/53/50/569475350.db2.gz YDIKTDGVBGDTOQ-UHFFFAOYSA-N 0 0 443.381 4.720 50 0 IJAARN CCCCN1C(=O)CC[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000008781806 569475710 /nfs/dbraw/zinc/47/57/10/569475710.db2.gz WHOFGVNHDJHISZ-NFBKMPQASA-N 0 0 427.928 4.846 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)cc1 ZINC000008791373 569476206 /nfs/dbraw/zinc/47/62/06/569476206.db2.gz SZJAASFWELQQBT-UHFFFAOYSA-N 0 0 444.487 4.866 50 0 biogenic IJAARN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCCO3)c(=O)oc12 ZINC000008791521 569476267 /nfs/dbraw/zinc/47/62/67/569476267.db2.gz AUCZCGLSITYYQE-GOSISDBHSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN COc1cccc2c1O[C@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3cccs3)C[C@H]21 ZINC000008798547 569476370 /nfs/dbraw/zinc/47/63/70/569476370.db2.gz IFZHYUKJCNCGHH-VGOFRKELSA-N 0 0 437.908 4.759 50 0 IJAARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCN(C(C)C)C2 ZINC000008793087 569476398 /nfs/dbraw/zinc/47/63/98/569476398.db2.gz BTEFNYQXFSXFOG-UHFFFAOYSA-N 0 0 427.353 4.860 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)N1CCC(c2ccccc2)=N1 ZINC000008824703 569477218 /nfs/dbraw/zinc/47/72/18/569477218.db2.gz ZJOZXDGLSYTPTO-UHFFFAOYSA-N 0 0 441.512 4.757 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000008825658 569477451 /nfs/dbraw/zinc/47/74/51/569477451.db2.gz MQWXCRAQXWUYBS-UHFFFAOYSA-N 0 0 433.339 4.567 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H]1CCSc2ccccc21 ZINC000008825986 569477538 /nfs/dbraw/zinc/47/75/38/569477538.db2.gz CUBUDIISXNTEJV-HKUYNNGSSA-N 0 0 447.398 4.557 50 0 IJAARN O=C(Nc1ccc(I)cc1)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000008826717 569477567 /nfs/dbraw/zinc/47/75/67/569477567.db2.gz BOOFHSRUCMARIH-HNNXBMFYSA-N 0 0 432.088 4.745 50 0 IJAARN CCCCN1c2ccc(NS(=O)(=O)c3ccc(OCCC)c(C)c3)cc2CCC1=O ZINC000008840788 569478407 /nfs/dbraw/zinc/47/84/07/569478407.db2.gz ZPHCZXPBRADGBY-UHFFFAOYSA-N 0 0 430.570 4.664 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008845050 569478742 /nfs/dbraw/zinc/47/87/42/569478742.db2.gz AWVKSSPBHPEDPD-OAQYLSRUSA-N 0 0 441.531 4.640 50 0 IJAARN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000008851381 569479422 /nfs/dbraw/zinc/47/94/22/569479422.db2.gz KYFYSTGZHHZXNZ-UHFFFAOYSA-N 0 0 428.941 4.980 50 0 IJAARN CCOc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008852912 569479532 /nfs/dbraw/zinc/47/95/32/569479532.db2.gz UZQUCFBZEZNZLQ-UHFFFAOYSA-N 0 0 441.578 4.762 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000008861787 569480064 /nfs/dbraw/zinc/48/00/64/569480064.db2.gz MEIPRAYLPXTHMY-UHFFFAOYSA-N 0 0 443.503 4.734 50 0 IJAARN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008867948 569480316 /nfs/dbraw/zinc/48/03/16/569480316.db2.gz FCMDHZACVDCQEC-SBTPEUDISA-N 0 0 444.641 4.586 50 0 IJAARN Cc1ccc(-n2ccc(=O)c(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)n2)cc1 ZINC000008868381 569480388 /nfs/dbraw/zinc/48/03/88/569480388.db2.gz LWAXZCPTEAPUFB-UHFFFAOYSA-N 0 0 449.466 4.770 50 0 IJAARN CCCCc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000008871039 569480728 /nfs/dbraw/zinc/48/07/28/569480728.db2.gz UZCVGJKLLPYSNI-LJQANCHMSA-N 0 0 444.535 4.834 50 0 IJAARN CC(C)=CCOc1ccc2c(C)c(CCC(=O)NC[C@H](O)c3ccccc3)c(=O)oc2c1C ZINC000008877152 569481184 /nfs/dbraw/zinc/48/11/84/569481184.db2.gz WZABNXQMTQMZST-QHCPKHFHSA-N 0 0 449.547 4.537 50 0 biogenic IJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3sccc3C(N)=O)cc12 ZINC000008879491 569481350 /nfs/dbraw/zinc/48/13/50/569481350.db2.gz LERQNTGRENSMPA-UHFFFAOYSA-N 0 0 430.942 4.521 50 0 IJAARN COc1ccc(C(C)=O)cc1COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000039481858 569481672 /nfs/dbraw/zinc/48/16/72/569481672.db2.gz PYCJCGUCPJOKQS-HSZRJFAPSA-N 0 0 431.488 4.502 50 0 IJAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1csc(-c2ccsc2)n1 ZINC000039983769 569482336 /nfs/dbraw/zinc/48/23/36/569482336.db2.gz YYHJKZLIARFSBP-GOSISDBHSA-N 0 0 430.551 4.866 50 0 IJAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000040024995 569482837 /nfs/dbraw/zinc/48/28/37/569482837.db2.gz SYMAOZUDDTYQHD-SANMLTNESA-N 0 0 445.494 4.679 50 0 IJAARN O=C(CN(Cc1ccco1)Cc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008882885 569482999 /nfs/dbraw/zinc/48/29/99/569482999.db2.gz XVDCSAHCAVNVGU-UHFFFAOYSA-N 0 0 435.549 4.891 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000008900511 569484074 /nfs/dbraw/zinc/48/40/74/569484074.db2.gz JWBJNJSTDGWOGK-KGLIPLIRSA-N 0 0 425.579 4.993 50 0 IJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000040056810 569484534 /nfs/dbraw/zinc/48/45/34/569484534.db2.gz PCIRTDVEOLIAQK-OAHLLOKOSA-N 0 0 446.956 4.551 50 0 IJAARN COc1cccc(-c2nc(C(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)cs2)c1OC ZINC000040057526 569484645 /nfs/dbraw/zinc/48/46/45/569484645.db2.gz JHGXZKSPTIGHAT-UHFFFAOYSA-N 0 0 440.521 4.620 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)nc1-c1ccccc1 ZINC000040058816 569484655 /nfs/dbraw/zinc/48/46/55/569484655.db2.gz PAXNABQSCZHSKO-MRXNPFEDSA-N 0 0 439.562 4.565 50 0 IJAARN COc1ccc(CCC(=O)NCCCc2nc3ccccc3s2)cc1Br ZINC000040059874 569484806 /nfs/dbraw/zinc/48/48/06/569484806.db2.gz QQMIFIMIVWBJMN-UHFFFAOYSA-N 0 0 433.371 4.749 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2cnccc2nc1SCc1cccc(OC)c1 ZINC000008913133 569485208 /nfs/dbraw/zinc/48/52/08/569485208.db2.gz SOIMQZHNYBZZLL-UHFFFAOYSA-N 0 0 432.549 4.933 50 0 IJAARN Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)cc(=O)c2cc1C ZINC000008915844 569485620 /nfs/dbraw/zinc/48/56/20/569485620.db2.gz RIFNJLVWMHHHIE-LJQANCHMSA-N 0 0 425.912 4.885 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000008920244 569486464 /nfs/dbraw/zinc/48/64/64/569486464.db2.gz YIDCNBZKKQQFOX-HSZRJFAPSA-N 0 0 444.369 4.900 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)CCCC2 ZINC000008927766 569487335 /nfs/dbraw/zinc/48/73/35/569487335.db2.gz IKDLUCUIQQYIKE-HHHXNRCGSA-N 0 0 429.491 4.712 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)ccc2Br)cc1Cl ZINC000040090601 569487418 /nfs/dbraw/zinc/48/74/18/569487418.db2.gz BKRWROIHVDLMHX-UHFFFAOYSA-N 0 0 427.701 4.976 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000008932412 569487594 /nfs/dbraw/zinc/48/75/94/569487594.db2.gz NEOJVSVWBHZDAO-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000040103719 569488093 /nfs/dbraw/zinc/48/80/93/569488093.db2.gz RQRSNUWFYUARTC-UHFFFAOYSA-N 0 0 429.673 4.677 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccccc3Cl)n2)cc1OC ZINC000008937156 569488109 /nfs/dbraw/zinc/48/81/09/569488109.db2.gz UNJWUJQDYMCFOJ-CYBMUJFWSA-N 0 0 431.945 4.770 50 0 IJAARN CN(Cc1ccccc1Br)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040104461 569488133 /nfs/dbraw/zinc/48/81/33/569488133.db2.gz LVCUEZLCVDERTG-UHFFFAOYSA-N 0 0 428.286 4.958 50 0 IJAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000008942037 569488668 /nfs/dbraw/zinc/48/86/68/569488668.db2.gz VMNAQYUTTAMDON-HOTGVXAUSA-N 0 0 436.537 4.816 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945232 569489025 /nfs/dbraw/zinc/48/90/25/569489025.db2.gz KXMWGYRSPQBRMT-XMMPIXPASA-N 0 0 428.532 4.824 50 0 IJAARN CCSc1nc2c(cnn2CCNC(=O)c2ccc3ccccc3c2)c(NCC(C)C)n1 ZINC000008948916 569489158 /nfs/dbraw/zinc/48/91/58/569489158.db2.gz MJOXCBBWEUSMKE-UHFFFAOYSA-N 0 0 448.596 4.589 50 0 IJAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Oc2ccccc2)cc1 ZINC000008949973 569489174 /nfs/dbraw/zinc/48/91/74/569489174.db2.gz JWPKHYUAXWHIGV-UHFFFAOYSA-N 0 0 431.517 4.768 50 0 IJAARN COc1cc(C(=O)N2CCC(n3cccn3)CC2)ccc1OCc1ccccc1Cl ZINC000040123087 569489724 /nfs/dbraw/zinc/48/97/24/569489724.db2.gz WLUOPCKYLCXFDS-UHFFFAOYSA-N 0 0 425.916 4.601 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1Cc2ccc(C)cc2C(=O)O1 ZINC000008951734 569489915 /nfs/dbraw/zinc/48/99/15/569489915.db2.gz IKHUWFJGQLZQHZ-LJQANCHMSA-N 0 0 435.501 4.620 50 0 IJAARN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000040135500 569490718 /nfs/dbraw/zinc/49/07/18/569490718.db2.gz SPNCFWKHAOHGOF-UHFFFAOYSA-N 0 0 442.343 4.776 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2C1=O ZINC000008961144 569490944 /nfs/dbraw/zinc/49/09/44/569490944.db2.gz JWBJBAZTEGWXDL-UHFFFAOYSA-N 0 0 426.469 4.707 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2C1=O ZINC000008961143 569491029 /nfs/dbraw/zinc/49/10/29/569491029.db2.gz HXDGQWJLOAMTJK-UHFFFAOYSA-N 0 0 426.469 4.707 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc1O2 ZINC000008961466 569491118 /nfs/dbraw/zinc/49/11/18/569491118.db2.gz KEQRWYDBPPIZEM-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NC[C@H](C)c1ccccc1 ZINC000008965356 569491418 /nfs/dbraw/zinc/49/14/18/569491418.db2.gz NFUFGKYQYAPISS-IBGZPJMESA-N 0 0 442.563 4.504 50 0 IJAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NCc1ccccc1 ZINC000008965898 569491557 /nfs/dbraw/zinc/49/15/57/569491557.db2.gz XTFIMJHDXLICIB-GOSISDBHSA-N 0 0 446.551 4.794 50 0 IJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccc(Br)cc1 ZINC000008965839 569491560 /nfs/dbraw/zinc/49/15/60/569491560.db2.gz YZEWZRREUJKEES-UHFFFAOYSA-N 0 0 443.389 4.983 50 0 IJAARN O=C(CCSCC(=O)Nc1ccc(Br)cc1)Nc1ccccc1Cl ZINC000040143002 569491862 /nfs/dbraw/zinc/49/18/62/569491862.db2.gz IDNBFTSLGCPPLD-UHFFFAOYSA-N 0 0 427.751 4.803 50 0 IJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000040145431 569492123 /nfs/dbraw/zinc/49/21/23/569492123.db2.gz HLMQCLQBKCIBGK-UHFFFAOYSA-N 0 0 444.453 4.958 50 0 IJAARN NC(=O)c1cccc(CN(Cc2nc(-c3cccc(Cl)c3)no2)Cc2ccccc2)c1 ZINC000040149549 569492522 /nfs/dbraw/zinc/49/25/22/569492522.db2.gz FIJSPAXZYNBDOF-UHFFFAOYSA-N 0 0 432.911 4.691 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008972222 569492825 /nfs/dbraw/zinc/49/28/25/569492825.db2.gz MCPOKWCXDDUCQG-XMMPIXPASA-N 0 0 442.544 4.650 50 0 IJAARN CCCOc1ccc([C@H](C)NC(=O)c2sc(-c3ncccn3)nc2C)cc1OCCC ZINC000040150353 569493177 /nfs/dbraw/zinc/49/31/77/569493177.db2.gz INIXOEFNENUEJR-HNNXBMFYSA-N 0 0 440.569 4.977 50 0 IJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c12 ZINC000040150948 569493215 /nfs/dbraw/zinc/49/32/15/569493215.db2.gz GJTVZFWTBSVWKB-UHFFFAOYSA-N 0 0 431.402 4.914 50 0 IJAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000040152836 569493571 /nfs/dbraw/zinc/49/35/71/569493571.db2.gz GPOOLYIKQQZZHW-AWEZNQCLSA-N 0 0 443.429 4.780 50 0 IJAARN CN(C[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC000040158231 569494490 /nfs/dbraw/zinc/49/44/90/569494490.db2.gz SXLYOYJZGZZJGK-GOSISDBHSA-N 0 0 433.556 4.775 50 0 IJAARN CC(=O)N(c1nc(COC(=O)COc2c(C)cccc2C)cs1)c1ccccc1F ZINC000040159290 569494717 /nfs/dbraw/zinc/49/47/17/569494717.db2.gz GFDQILOATHIQAJ-UHFFFAOYSA-N 0 0 428.485 4.706 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@@H](C)C(=O)Nc1ccccc1F ZINC000008988552 569494970 /nfs/dbraw/zinc/49/49/70/569494970.db2.gz UPHNKNVLTFNVQT-ZDUSSCGKSA-N 0 0 433.936 4.964 50 0 IJAARN COc1ccccc1OCC(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1 ZINC000009031565 569497103 /nfs/dbraw/zinc/49/71/03/569497103.db2.gz GGRUULWUHSXQLA-UHFFFAOYSA-N 0 0 435.524 4.794 50 0 IJAARN COC(=O)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)ccc1Cl ZINC000040287811 569498311 /nfs/dbraw/zinc/49/83/11/569498311.db2.gz DDJABVMTPJRVEH-IBGZPJMESA-N 0 0 445.306 4.683 50 0 IJAARN COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1OC ZINC000009059520 569499371 /nfs/dbraw/zinc/49/93/71/569499371.db2.gz RDTWJQNOKKFVRZ-UHFFFAOYSA-N 0 0 432.524 4.946 50 0 IJAARN O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000009073178 569500162 /nfs/dbraw/zinc/50/01/62/569500162.db2.gz YQQRWCGHSRJUCB-SFHVURJKSA-N 0 0 439.968 4.828 50 0 IJAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000009073816 569500193 /nfs/dbraw/zinc/50/01/93/569500193.db2.gz YUXARVYJSBWUFA-ZDUSSCGKSA-N 0 0 434.359 4.565 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1 ZINC000009090714 569501044 /nfs/dbraw/zinc/50/10/44/569501044.db2.gz KSIQGKYRECRGNC-JOCHJYFZSA-N 0 0 446.503 4.713 50 0 IJAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1c(F)cccc1F ZINC000009097080 569501504 /nfs/dbraw/zinc/50/15/04/569501504.db2.gz QVNQVQASWQLCNZ-UHFFFAOYSA-N 0 0 442.228 4.945 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)no1 ZINC000069351701 569501887 /nfs/dbraw/zinc/50/18/87/569501887.db2.gz QJOWKDWQECRKHZ-GOSISDBHSA-N 0 0 429.318 4.525 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000009111845 569502322 /nfs/dbraw/zinc/50/23/22/569502322.db2.gz WLFMNGJWYOVGKL-HXUWFJFHSA-N 0 0 430.533 4.813 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCCc3ccc(-n4cccn4)cc3)c2oc1-c1ccccc1 ZINC000009112185 569502409 /nfs/dbraw/zinc/50/24/09/569502409.db2.gz ADVHIHGSRVTVKM-UHFFFAOYSA-N 0 0 449.510 4.927 50 0 IJAARN CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1NC(=O)C1=C(C)OCCS1 ZINC000009115208 569502704 /nfs/dbraw/zinc/50/27/04/569502704.db2.gz HJNUPQASGVMMNA-UHFFFAOYSA-N 0 0 446.956 4.602 50 0 IJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)N3CCc4ccccc43)c3ccccc32)CC1 ZINC000009118466 569503375 /nfs/dbraw/zinc/50/33/75/569503375.db2.gz VGKLSUJSALICLM-UHFFFAOYSA-N 0 0 447.604 4.581 50 0 IJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)N(C)c3ccccc3)c3ccccc32)CC1 ZINC000009118529 569503383 /nfs/dbraw/zinc/50/33/83/569503383.db2.gz INJSKYUTTXXNFP-UHFFFAOYSA-N 0 0 435.593 4.655 50 0 IJAARN Cc1ccc(CNC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)cc1 ZINC000009118524 569503400 /nfs/dbraw/zinc/50/34/00/569503400.db2.gz HOUSRWBTVUIWGP-UHFFFAOYSA-N 0 0 449.620 4.617 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)[C@@H]1C ZINC000009119353 569503495 /nfs/dbraw/zinc/50/34/95/569503495.db2.gz KEGWHFOVNMYEND-IIDMSEBBSA-N 0 0 449.020 4.878 50 0 IJAARN O=C(CCSc1ccccc1Cl)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000009119262 569503507 /nfs/dbraw/zinc/50/35/07/569503507.db2.gz YQWXOZQLBOEHIC-UHFFFAOYSA-N 0 0 430.938 4.788 50 0 IJAARN C[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCC1CCCCC1 ZINC000009119834 569503651 /nfs/dbraw/zinc/50/36/51/569503651.db2.gz KTCWGRWISMGWCF-CQSZACIVSA-N 0 0 427.595 4.829 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(F)ccc4O)c3[C@H]2c2ccccc2)cc1 ZINC000009124137 569504266 /nfs/dbraw/zinc/50/42/66/569504266.db2.gz NWJSPVDMIRWQLK-RUZDIDTESA-N 0 0 443.478 4.718 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000009125368 569504649 /nfs/dbraw/zinc/50/46/49/569504649.db2.gz LUXRVQQOHHLVEN-UHFFFAOYSA-N 0 0 441.487 4.962 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000009126432 569504912 /nfs/dbraw/zinc/50/49/12/569504912.db2.gz SHBGZJFSDPBOBR-CQSZACIVSA-N 0 0 430.961 4.670 50 0 IJAARN CN(C)c1ccc([C@H](CNC(=O)COc2cccc(F)c2)c2c[nH]c3ccccc32)cc1 ZINC000009127581 569505232 /nfs/dbraw/zinc/50/52/32/569505232.db2.gz MZOFXPDRDWUBLC-QHCPKHFHSA-N 0 0 431.511 4.700 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C)N(Cc1nc(=O)c3c(-c4ccccc4)csc3[nH]1)CC2 ZINC000009129193 569505647 /nfs/dbraw/zinc/50/56/47/569505647.db2.gz YLOCLXXTESMYNO-OAHLLOKOSA-N 0 0 447.560 4.788 50 0 IJAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000009130705 569506120 /nfs/dbraw/zinc/50/61/20/569506120.db2.gz UREYJXOSZLIMEX-HSZRJFAPSA-N 0 0 435.524 4.932 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)cc3)o2)cc1 ZINC000009156072 569508375 /nfs/dbraw/zinc/50/83/75/569508375.db2.gz BBKZVYGSDHJQRO-QGZVFWFLSA-N 0 0 441.487 4.974 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167813 569509116 /nfs/dbraw/zinc/50/91/16/569509116.db2.gz HFHDCZMTWHXUKG-UHFFFAOYSA-N 0 0 436.961 4.611 50 0 IJAARN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000009172896 569509520 /nfs/dbraw/zinc/50/95/20/569509520.db2.gz KIVRXXCPASUUBQ-QFIPXVFZSA-N 0 0 432.549 4.613 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009174141 569509602 /nfs/dbraw/zinc/50/96/02/569509602.db2.gz ALRMGOXYCNMSPX-UHFFFAOYSA-N 0 0 430.570 4.594 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174286 569509615 /nfs/dbraw/zinc/50/96/15/569509615.db2.gz KSRPFLDAQPDGJT-UHFFFAOYSA-N 0 0 448.560 4.733 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1C ZINC000009174148 569509619 /nfs/dbraw/zinc/50/96/19/569509619.db2.gz YQIZVTLCCLEDHS-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN COc1ccccc1Nc1nnc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000009206130 569511334 /nfs/dbraw/zinc/51/13/34/569511334.db2.gz ZDKCUZCCGBTLSF-SFHVURJKSA-N 0 0 440.594 4.918 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)c(OC)c1 ZINC000009209280 569511569 /nfs/dbraw/zinc/51/15/69/569511569.db2.gz UTRMYDYUNATCTM-UHFFFAOYSA-N 0 0 435.509 4.504 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000009209446 569511576 /nfs/dbraw/zinc/51/15/76/569511576.db2.gz KIXOQLCUOMHEKT-MOPGFXCFSA-N 0 0 449.511 4.886 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC ZINC000009210604 569511706 /nfs/dbraw/zinc/51/17/06/569511706.db2.gz AAWYDRUEZCIQJE-HSZRJFAPSA-N 0 0 442.471 4.572 50 0 IJAARN O=C(Nc1c(F)cc(F)cc1Br)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000009211670 569511838 /nfs/dbraw/zinc/51/18/38/569511838.db2.gz QEEOIKKGYBRBPH-UHFFFAOYSA-N 0 0 443.251 4.956 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009219704 569512487 /nfs/dbraw/zinc/51/24/87/569512487.db2.gz GECGZWLXVVRTGE-QGZVFWFLSA-N 0 0 445.441 4.580 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1cccnc1 ZINC000009220331 569512544 /nfs/dbraw/zinc/51/25/44/569512544.db2.gz YECFNXCNUVDAKD-OAQYLSRUSA-N 0 0 429.549 4.559 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4c5ccccc5C[C@H]4C)n3c2c1 ZINC000009221058 569512600 /nfs/dbraw/zinc/51/26/00/569512600.db2.gz HYUGQLJNOOGNNT-HZPDHXFCSA-N 0 0 432.549 4.658 50 0 IJAARN COc1ccc([C@H](NC(=O)c2ccccc2SCC(=O)NC(C)C)c2ccccc2)cc1 ZINC000009223955 569513055 /nfs/dbraw/zinc/51/30/55/569513055.db2.gz AWJRJWWOMAPNBO-RUZDIDTESA-N 0 0 448.588 4.831 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000009237145 569514219 /nfs/dbraw/zinc/51/42/19/569514219.db2.gz UWIBFTMYKONKAA-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1 ZINC000009238257 569514278 /nfs/dbraw/zinc/51/42/78/569514278.db2.gz YZOGMPNPODSHME-NHCUHLMSSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238275 569514313 /nfs/dbraw/zinc/51/43/13/569514313.db2.gz FNRGXWFEFJSGLT-NHCUHLMSSA-N 0 0 427.533 4.651 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239389 569514486 /nfs/dbraw/zinc/51/44/86/569514486.db2.gz TVPPDUKNPGOEPE-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239406 569514580 /nfs/dbraw/zinc/51/45/80/569514580.db2.gz OZYKHIBPMWUWLY-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN Cc1nc2ccccc2c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1 ZINC000009245755 569515410 /nfs/dbraw/zinc/51/54/10/569515410.db2.gz ZDWJUEBDQREOKT-LJQANCHMSA-N 0 0 425.941 4.905 50 0 IJAARN Cc1nnsc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000009250886 569515751 /nfs/dbraw/zinc/51/57/51/569515751.db2.gz XUQBEJSCXOZBSK-UHFFFAOYSA-N 0 0 442.294 4.839 50 0 IJAARN CCOc1cccc2cc([C@H](C)NC(=O)CNC(=O)Cc3cccc4ccccc43)oc21 ZINC000009254533 569516353 /nfs/dbraw/zinc/51/63/53/569516353.db2.gz IEZHLUZLZKNDDV-KRWDZBQOSA-N 0 0 430.504 4.521 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000009256376 569516715 /nfs/dbraw/zinc/51/67/15/569516715.db2.gz KBTKSTQPLWRASS-UHFFFAOYSA-N 0 0 425.488 4.583 50 0 IJAARN CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009260780 569516915 /nfs/dbraw/zinc/51/69/15/569516915.db2.gz QLCXKXNKRZXDGY-OAQYLSRUSA-N 0 0 448.573 4.712 50 0 IJAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(Br)o1 ZINC000009260557 569516968 /nfs/dbraw/zinc/51/69/68/569516968.db2.gz JGEIUAKVMQKWFR-UHFFFAOYSA-N 0 0 444.672 4.851 50 0 IJAARN CCCCn1c2ccccc2c2nnc(SCC(=O)c3ccc(NC(C)=O)cc3)nc21 ZINC000009264054 569517282 /nfs/dbraw/zinc/51/72/82/569517282.db2.gz BOVPTCCZOWPLIQ-UHFFFAOYSA-N 0 0 433.537 4.713 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000009266441 569517445 /nfs/dbraw/zinc/51/74/45/569517445.db2.gz BIZKUQGBOIUNFQ-UHFFFAOYSA-N 0 0 430.508 4.869 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1F ZINC000009283538 569518905 /nfs/dbraw/zinc/51/89/05/569518905.db2.gz AAFSYAVPPFNTRR-UHFFFAOYSA-N 0 0 433.508 4.623 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCc1nnc(-c2ccccc2Br)o1 ZINC000009284095 569519040 /nfs/dbraw/zinc/51/90/40/569519040.db2.gz BQWIWSQIGNVTOW-UHFFFAOYSA-N 0 0 448.371 4.572 50 0 IJAARN O=C(c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)N1CCC2(CC1)OCCO2 ZINC000009288109 569519361 /nfs/dbraw/zinc/51/93/61/569519361.db2.gz WUWJZBFFBJBVLX-UHFFFAOYSA-N 0 0 428.941 4.952 50 0 IJAARN CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)COc2ccccc2)cc1 ZINC000009288857 569519437 /nfs/dbraw/zinc/51/94/37/569519437.db2.gz CPSZJLGPZCZBQC-UHFFFAOYSA-N 0 0 427.508 4.795 50 0 IJAARN CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289480 569519586 /nfs/dbraw/zinc/51/95/86/569519586.db2.gz ZGWXIOSIFWRAMF-HXUWFJFHSA-N 0 0 449.576 4.974 50 0 IJAARN CCOc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000009289484 569519603 /nfs/dbraw/zinc/51/96/03/569519603.db2.gz MTEULMCOCHXJFK-IBGZPJMESA-N 0 0 435.549 4.586 50 0 IJAARN Cc1ccc2c(c1)C1=C([C@H](c3ccccc3Cl)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 ZINC000009293538 569520248 /nfs/dbraw/zinc/52/02/48/569520248.db2.gz WWWIHJDDUKIGCL-PKTZIBPZSA-N 0 0 427.895 4.848 50 0 IJAARN COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009293673 569520301 /nfs/dbraw/zinc/52/03/01/569520301.db2.gz SWSUHBBWVUFAQU-GOTSBHOMSA-N 0 0 443.894 4.548 50 0 IJAARN Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000009306126 569521259 /nfs/dbraw/zinc/52/12/59/569521259.db2.gz WGUVNZCEBNOOGI-UHFFFAOYSA-N 0 0 433.313 4.569 50 0 IJAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc4c(c3)CCCC4)n3ccccc23)cc1 ZINC000009316630 569522226 /nfs/dbraw/zinc/52/22/26/569522226.db2.gz RQXNVCKONUADHL-UHFFFAOYSA-N 0 0 439.515 4.892 50 0 IJAARN CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(OC)ccc3OC)c3ccccn32)cc1 ZINC000009316753 569522305 /nfs/dbraw/zinc/52/23/05/569522305.db2.gz CAZLXDBYKNQJJP-UHFFFAOYSA-N 0 0 443.503 4.584 50 0 IJAARN CCCOc1ccc(OCCSCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000009337681 569523572 /nfs/dbraw/zinc/52/35/72/569523572.db2.gz BQYMXMLTYKCCRB-UHFFFAOYSA-N 0 0 449.370 4.558 50 0 IJAARN Cc1cc(OCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2c(C)c(C)c(=O)oc2c1 ZINC000009340591 569523867 /nfs/dbraw/zinc/52/38/67/569523867.db2.gz DVQYWWHTYIKXLE-UHFFFAOYSA-N 0 0 438.911 4.591 50 0 IJAARN COc1ccccc1C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000009344926 569524054 /nfs/dbraw/zinc/52/40/54/569524054.db2.gz YAQRYNCTSOAIAN-LEWJYISDSA-N 0 0 425.492 4.685 50 0 IJAARN CCCCN1c2ccc(NC(=O)c3cccc(S(=O)(=O)CC)c3)c3cccc(c23)C1=O ZINC000009347419 569524285 /nfs/dbraw/zinc/52/42/85/569524285.db2.gz IRJIYGCBHANSLG-UHFFFAOYSA-N 0 0 436.533 4.646 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccc(C(C)=O)cc4)ccc32)cc1 ZINC000009348590 569524501 /nfs/dbraw/zinc/52/45/01/569524501.db2.gz FGAOJISCWYLAJK-UHFFFAOYSA-N 0 0 443.455 4.689 50 0 biogenic IJAARN COc1ccccc1CN(C)C(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000009349762 569524813 /nfs/dbraw/zinc/52/48/13/569524813.db2.gz HCJSVZUUMOTZAO-UHFFFAOYSA-N 0 0 446.370 4.599 50 0 IJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009354718 569525126 /nfs/dbraw/zinc/52/51/26/569525126.db2.gz WOBUTDYUDOVMSO-RUZDIDTESA-N 0 0 442.515 4.979 50 0 IJAARN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1 ZINC000009363965 569525957 /nfs/dbraw/zinc/52/59/57/569525957.db2.gz SBUYGNQQLHNESZ-UHFFFAOYSA-N 0 0 426.513 4.516 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1)Nc1ccccc1 ZINC000009364065 569526012 /nfs/dbraw/zinc/52/60/12/569526012.db2.gz BGGLHXCUGKCUGL-UHFFFAOYSA-N 0 0 439.349 4.828 50 0 IJAARN O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccs2)N1Cc1ccc2c(c1)OCO2 ZINC000009364734 569526081 /nfs/dbraw/zinc/52/60/81/569526081.db2.gz KWGXGIZJUAJNJV-QFIPXVFZSA-N 0 0 430.489 4.634 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3cc(C)cc(C)c3)s2)c1 ZINC000009365443 569526167 /nfs/dbraw/zinc/52/61/67/569526167.db2.gz XOWFNJWESHHTET-UHFFFAOYSA-N 0 0 426.567 4.755 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c1C ZINC000009366969 569526310 /nfs/dbraw/zinc/52/63/10/569526310.db2.gz MHONPKLCFJYUQS-UHFFFAOYSA-N 0 0 432.343 4.962 50 0 IJAARN Cc1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1-c1ccccc1 ZINC000009368125 569526623 /nfs/dbraw/zinc/52/66/23/569526623.db2.gz CLHBWFVELRWHMB-IBGZPJMESA-N 0 0 440.956 4.543 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N(C)C3CCCCC3)nnc2-c2ccncc2)cc1 ZINC000009373299 569527052 /nfs/dbraw/zinc/52/70/52/569527052.db2.gz SPYJECKABOEXRH-UHFFFAOYSA-N 0 0 435.597 4.775 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000009377463 569527482 /nfs/dbraw/zinc/52/74/82/569527482.db2.gz KHPKDXFILAWCEF-OAQYLSRUSA-N 0 0 429.588 4.847 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2ccccc2c1 ZINC000009378593 569527640 /nfs/dbraw/zinc/52/76/40/569527640.db2.gz SDUIKHYZNRKJIS-UHFFFAOYSA-N 0 0 434.492 4.961 50 0 IJAARN Brc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc21 ZINC000009381981 569528168 /nfs/dbraw/zinc/52/81/68/569528168.db2.gz HMSKHDNMBBTHGE-UHFFFAOYSA-N 0 0 431.384 4.995 50 0 IJAARN CCn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1cccs1 ZINC000009390523 569528707 /nfs/dbraw/zinc/52/87/07/569528707.db2.gz MWGYSFIWAVVMLM-SECBINFHSA-N 0 0 428.370 4.848 50 0 IJAARN O=C(Nc1ccc2sccc2c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000009404736 569529723 /nfs/dbraw/zinc/52/97/23/569529723.db2.gz FLPFZHJHFYZGLR-UHFFFAOYSA-N 0 0 448.569 4.901 50 0 IJAARN CCCN(C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1)c1ccc(F)cc1 ZINC000009405519 569529923 /nfs/dbraw/zinc/52/99/23/569529923.db2.gz SUKDCVGAKKLWIV-UHFFFAOYSA-N 0 0 438.503 4.544 50 0 IJAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009409021 569530780 /nfs/dbraw/zinc/53/07/80/569530780.db2.gz NNUZTDKXRCJVAJ-RUZDIDTESA-N 0 0 441.487 4.766 50 0 IJAARN CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)c1 ZINC000009409035 569530824 /nfs/dbraw/zinc/53/08/24/569530824.db2.gz XJMUOODERQCNIM-XMMPIXPASA-N 0 0 435.524 4.543 50 0 IJAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009416672 569532362 /nfs/dbraw/zinc/53/23/62/569532362.db2.gz QDVBUHKUXUPZFM-UHFFFAOYSA-N 0 0 428.488 4.764 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009419035 569532471 /nfs/dbraw/zinc/53/24/71/569532471.db2.gz HXODDUVBMZZMRN-OAQYLSRUSA-N 0 0 448.573 4.712 50 0 IJAARN COc1cc(/C=C2/c3ccc(Cl)cc3N(CN3CCCCC3)C2=O)cc(OC)c1OC ZINC000009420040 569532584 /nfs/dbraw/zinc/53/25/84/569532584.db2.gz ZUWYNBOYJLGENK-ODLFYWEKSA-N 0 0 442.943 4.696 50 0 IJAARN COc1ccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2OC)cc1 ZINC000009425502 569533204 /nfs/dbraw/zinc/53/32/04/569533204.db2.gz SSALJZXQHKSGMQ-JWGURIENSA-N 0 0 445.471 4.506 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000009427617 569533358 /nfs/dbraw/zinc/53/33/58/569533358.db2.gz ZSOGOZDZJOOCJA-UHFFFAOYSA-N 0 0 445.610 4.976 50 0 IJAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000009427484 569533368 /nfs/dbraw/zinc/53/33/68/569533368.db2.gz GMQPQTYYXGPESR-UHFFFAOYSA-N 0 0 443.594 4.730 50 0 IJAARN Cc1ccc(Cl)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21 ZINC000009427425 569533390 /nfs/dbraw/zinc/53/33/90/569533390.db2.gz GVLJDIUROQXRRP-UHFFFAOYSA-N 0 0 449.985 4.685 50 0 IJAARN CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(C)=O)=NN2c2cccc(Cl)c2)N1C ZINC000009430987 569534043 /nfs/dbraw/zinc/53/40/43/569534043.db2.gz OWJWBECETMSCTE-LJQANCHMSA-N 0 0 439.990 4.660 50 0 IJAARN Cc1ccsc1CN(C(=O)c1oc2cc(C)cc(C)c2c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000009431312 569534155 /nfs/dbraw/zinc/53/41/55/569534155.db2.gz JIJVAAHKUOLOCN-QGZVFWFLSA-N 0 0 431.579 4.557 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)n1 ZINC000009431831 569534288 /nfs/dbraw/zinc/53/42/88/569534288.db2.gz DCWYLHAGOJFPLJ-UHFFFAOYSA-N 0 0 425.963 4.611 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000009433863 569534608 /nfs/dbraw/zinc/53/46/08/569534608.db2.gz RSCSPOSEVWCMBR-GEBKJHSDSA-N 0 0 441.940 4.525 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2Cl)NC(=S)N1 ZINC000009443178 569535682 /nfs/dbraw/zinc/53/56/82/569535682.db2.gz TZGLBQLYSOKWHZ-MRXNPFEDSA-N 0 0 425.863 4.790 50 0 IJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009446158 569535857 /nfs/dbraw/zinc/53/58/57/569535857.db2.gz MAAGMSVTZDQZMS-QFIPXVFZSA-N 0 0 446.890 4.904 50 0 IJAARN CCN(C(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1Cc1ccccc1)C1CCCCC1 ZINC000009447002 569536015 /nfs/dbraw/zinc/53/60/15/569536015.db2.gz CMZUNGGNQHSXHW-UHFFFAOYSA-N 0 0 442.563 4.801 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000009453540 569536565 /nfs/dbraw/zinc/53/65/65/569536565.db2.gz AZTQXVGECRMBBE-UHFFFAOYSA-N 0 0 429.442 4.860 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000009459270 569536777 /nfs/dbraw/zinc/53/67/77/569536777.db2.gz YLKFQHPEJMMPQL-GOSISDBHSA-N 0 0 443.883 4.619 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)c2oc1-c1ccccc1 ZINC000009459540 569536845 /nfs/dbraw/zinc/53/68/45/569536845.db2.gz UVWUYGHYEGWYIR-QGZVFWFLSA-N 0 0 427.456 4.952 50 0 IJAARN CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3cc4c(s3)CCCCC4)n2)cc1 ZINC000009460188 569536903 /nfs/dbraw/zinc/53/69/03/569536903.db2.gz GNBHLYNDJMUVQC-UHFFFAOYSA-N 0 0 432.592 4.796 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000009461316 569537048 /nfs/dbraw/zinc/53/70/48/569537048.db2.gz VPFVSHLPYAZBIR-GFCCVEGCSA-N 0 0 437.352 4.552 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1 ZINC000009460910 569537052 /nfs/dbraw/zinc/53/70/52/569537052.db2.gz SWYPIPBGSLBPOH-UHFFFAOYSA-N 0 0 445.544 4.688 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000009462409 569537198 /nfs/dbraw/zinc/53/71/98/569537198.db2.gz NZEUWKNIMGGIOJ-UHFFFAOYSA-N 0 0 445.953 4.796 50 0 IJAARN Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1cc(Cl)ccc1O[C@@H]2c1ccncc1 ZINC000009463148 569537332 /nfs/dbraw/zinc/53/73/32/569537332.db2.gz FWYMMNDRTOANLJ-FCHUYYIVSA-N 0 0 431.858 4.678 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000009463884 569537540 /nfs/dbraw/zinc/53/75/40/569537540.db2.gz UETXSZGDPLCZIL-AWEZNQCLSA-N 0 0 446.370 4.729 50 0 IJAARN CCOCCCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 ZINC000009463835 569537565 /nfs/dbraw/zinc/53/75/65/569537565.db2.gz VIZOELKFDGVFGB-UHFFFAOYSA-N 0 0 436.581 4.621 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1C ZINC000009463846 569537574 /nfs/dbraw/zinc/53/75/74/569537574.db2.gz WRSMDVSKIRMDOS-UHFFFAOYSA-N 0 0 432.977 4.851 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCC3)n2-c2ccccc2)cc1 ZINC000009465122 569537860 /nfs/dbraw/zinc/53/78/60/569537860.db2.gz GCPUTDWMILJHME-IBGZPJMESA-N 0 0 449.624 4.884 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000009467295 569538359 /nfs/dbraw/zinc/53/83/59/569538359.db2.gz FNHGIHZGBWBQSX-MAUKXSAKSA-N 0 0 429.973 4.514 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000009469876 569538859 /nfs/dbraw/zinc/53/88/59/569538859.db2.gz FWGMRWVOFQGOAG-UHFFFAOYSA-N 0 0 432.549 4.635 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nc3ccccc3o1)n2CC ZINC000009477233 569539158 /nfs/dbraw/zinc/53/91/58/569539158.db2.gz FMOVOKVXZJZLHK-UHFFFAOYSA-N 0 0 444.582 4.520 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000009476954 569539170 /nfs/dbraw/zinc/53/91/70/569539170.db2.gz XZPKOKGEHKCMDX-UHFFFAOYSA-N 0 0 441.531 4.803 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009477700 569539177 /nfs/dbraw/zinc/53/91/77/569539177.db2.gz ILZUAJBMUDYRKX-UHFFFAOYSA-N 0 0 428.492 4.573 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c(=O)c12 ZINC000009478195 569539335 /nfs/dbraw/zinc/53/93/35/569539335.db2.gz UMOKYIHGOVODBG-UHFFFAOYSA-N 0 0 443.981 4.807 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009478619 569539344 /nfs/dbraw/zinc/53/93/44/569539344.db2.gz RPDKSXAYCPKRFZ-CQSZACIVSA-N 0 0 435.557 4.658 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(S(=O)(=O)NC2CCCC2)ccc1F ZINC000009490335 569540181 /nfs/dbraw/zinc/54/01/81/569540181.db2.gz YNTKNCMKWJSYAI-UHFFFAOYSA-N 0 0 431.316 4.606 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000009491353 569540316 /nfs/dbraw/zinc/54/03/16/569540316.db2.gz GQMMXNVAZJVRJT-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN COc1ccccc1[C@H](C)NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC000009492036 569540519 /nfs/dbraw/zinc/54/05/19/569540519.db2.gz SAVQWHMPXBLCQZ-SFHVURJKSA-N 0 0 440.609 4.975 50 0 IJAARN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)c1cc(Cl)ccc1Cl ZINC000009493202 569540709 /nfs/dbraw/zinc/54/07/09/569540709.db2.gz QKBQMBIMHJKFEP-NSHDSACASA-N 0 0 444.311 4.619 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cccc(NC(=O)c3cccs3)c1)O[C@@H](C)C2 ZINC000009497690 569541268 /nfs/dbraw/zinc/54/12/68/569541268.db2.gz JIRCNJHTDWGUKU-HNNXBMFYSA-N 0 0 436.533 4.653 50 0 IJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N(c1ccccc1)C1CCCCC1 ZINC000009498382 569541380 /nfs/dbraw/zinc/54/13/80/569541380.db2.gz IWRSEBDOZANMAP-UHFFFAOYSA-N 0 0 437.521 4.923 50 0 IJAARN Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3CCc4ccccc4C3)c(=O)c3ccccc32)c1 ZINC000009503111 569541707 /nfs/dbraw/zinc/54/17/07/569541707.db2.gz WMEVJTPRHSXXOB-HXUWFJFHSA-N 0 0 437.543 4.826 50 0 IJAARN Cc1cc2sc(NC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)nc2c(C)c1 ZINC000009506935 569541873 /nfs/dbraw/zinc/54/18/73/569541873.db2.gz ORBWVJJDJVNDER-UHFFFAOYSA-N 0 0 448.525 4.543 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)NCC3CCCCC3)nnc2-c2ccncc2)cc1 ZINC000009507552 569542105 /nfs/dbraw/zinc/54/21/05/569542105.db2.gz OKUZVKCGWBBZLI-UHFFFAOYSA-N 0 0 435.597 4.680 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000009509087 569542443 /nfs/dbraw/zinc/54/24/43/569542443.db2.gz LPAPDSUGVZWHHQ-RHSMWYFYSA-N 0 0 440.594 4.965 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)c2)cs1 ZINC000009512631 569542990 /nfs/dbraw/zinc/54/29/90/569542990.db2.gz HPSOEISNGGEAFJ-KRWDZBQOSA-N 0 0 444.603 4.650 50 0 IJAARN O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCc1cccc(Cl)c1 ZINC000009512877 569543040 /nfs/dbraw/zinc/54/30/40/569543040.db2.gz UEEOVCWMRFIHIA-UHFFFAOYSA-N 0 0 429.303 4.941 50 0 IJAARN C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009515705 569543354 /nfs/dbraw/zinc/54/33/54/569543354.db2.gz CTUSTLXBDKPERL-LJQANCHMSA-N 0 0 429.520 4.832 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NCc1ccccc1Cl ZINC000009517736 569543742 /nfs/dbraw/zinc/54/37/42/569543742.db2.gz AZTYZBLIZWHIMB-UHFFFAOYSA-N 0 0 444.347 4.531 50 0 IJAARN COc1ccc(C)cc1NC(=O)COC(=O)Cn1c(-c2ccc(C)cc2)csc1=S ZINC000009540364 569545785 /nfs/dbraw/zinc/54/57/85/569545785.db2.gz PKVAGOYXKRKQDU-UHFFFAOYSA-N 0 0 442.562 4.753 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(SCc4c(Cl)cccc4Cl)n3N)n[nH]2)cc1 ZINC000009540921 569545852 /nfs/dbraw/zinc/54/58/52/569545852.db2.gz PZVXHPIKECOINI-UHFFFAOYSA-N 0 0 447.351 4.657 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)n(C2CCCCC2)c1C ZINC000009549856 569546699 /nfs/dbraw/zinc/54/66/99/569546699.db2.gz LMTLVSYHFXRAJM-CQSZACIVSA-N 0 0 446.642 4.774 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2C)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559008 569546906 /nfs/dbraw/zinc/54/69/06/569546906.db2.gz CZPHVEMQVHFWIH-UHFFFAOYSA-N 0 0 426.538 4.615 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)CCc2ccccc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009558999 569546914 /nfs/dbraw/zinc/54/69/14/569546914.db2.gz IYVKBCQWGRZBOO-UHFFFAOYSA-N 0 0 440.565 4.626 50 0 IJAARN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000009559619 569547012 /nfs/dbraw/zinc/54/70/12/569547012.db2.gz XUEUQJBPCWJOMQ-ZEQRLZLVSA-N 0 0 425.488 4.726 50 0 IJAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 ZINC000009573293 569547830 /nfs/dbraw/zinc/54/78/30/569547830.db2.gz XBKQCQZFOTXBED-UHFFFAOYSA-N 0 0 426.318 4.975 50 0 IJAARN Cc1occc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000009575982 569548001 /nfs/dbraw/zinc/54/80/01/569548001.db2.gz NVNQLCLKKFAWMP-MRXNPFEDSA-N 0 0 431.901 4.605 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)o1 ZINC000009575990 569548051 /nfs/dbraw/zinc/54/80/51/569548051.db2.gz HXLNVCSTLMECKU-CQSZACIVSA-N 0 0 440.550 4.746 50 0 IJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3nc4ccc(C)cc4s3)nn2)s1 ZINC000009577972 569548311 /nfs/dbraw/zinc/54/83/11/569548311.db2.gz IXAJJUVYTHWEMA-UHFFFAOYSA-N 0 0 427.580 4.866 50 0 IJAARN O=C(NCCc1nnc2ccc(SCc3cccc4ccccc43)nn21)c1ccccc1 ZINC000009578409 569548348 /nfs/dbraw/zinc/54/83/48/569548348.db2.gz BVKNHMLSEBBXQX-UHFFFAOYSA-N 0 0 439.544 4.542 50 0 IJAARN O=C(Cn1ccc2ccccc2c1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009578849 569548399 /nfs/dbraw/zinc/54/83/99/569548399.db2.gz ROZYPDZDBJORIB-NRFANRHFSA-N 0 0 431.879 4.626 50 0 IJAARN CN(C)[C@@H](CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000009579066 569548445 /nfs/dbraw/zinc/54/84/45/569548445.db2.gz PZDHXFPCELXXKI-QHCPKHFHSA-N 0 0 443.551 4.577 50 0 IJAARN O=c1c2ccc(-c3nnc(SCCCOc4ccccc4)o3)cc2nc2n1CCCCC2 ZINC000009588807 569549915 /nfs/dbraw/zinc/54/99/15/569549915.db2.gz BDDYOQOHVUAKLY-UHFFFAOYSA-N 0 0 448.548 4.734 50 0 IJAARN Cc1sc2ncnc(SCC(=O)Nc3nsc(-c4ccccc4C)n3)c2c1C ZINC000009591071 569550101 /nfs/dbraw/zinc/55/01/01/569550101.db2.gz FIFUXKWYIAJJCF-UHFFFAOYSA-N 0 0 427.580 4.866 50 0 IJAARN Cc1noc(C)c1CC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009593902 569550530 /nfs/dbraw/zinc/55/05/30/569550530.db2.gz SGKHVXZKAXVMEJ-UHFFFAOYSA-N 0 0 434.927 4.999 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cccc(Br)c4)C3=O)ccc2c1 ZINC000009596477 569550815 /nfs/dbraw/zinc/55/08/15/569550815.db2.gz FTHANNKVYMDOLM-JOCHJYFZSA-N 0 0 439.309 4.578 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@@H]1c1cccs1 ZINC000009597283 569550895 /nfs/dbraw/zinc/55/08/95/569550895.db2.gz XGMMICZSXDEGCS-QGZVFWFLSA-N 0 0 430.530 4.623 50 0 IJAARN CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Br)cc2)=N1 ZINC000009599248 569551212 /nfs/dbraw/zinc/55/12/12/569551212.db2.gz UIWGDMJAIVDZFV-UHFFFAOYSA-N 0 0 434.334 4.897 50 0 IJAARN CC(C)c1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000009601287 569551635 /nfs/dbraw/zinc/55/16/35/569551635.db2.gz KRLIHKYEDODWQO-UHFFFAOYSA-N 0 0 444.503 4.922 50 0 IJAARN CCSc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)s1 ZINC000009603228 569551796 /nfs/dbraw/zinc/55/17/96/569551796.db2.gz KZUPEBDVBFHTLN-UHFFFAOYSA-N 0 0 433.559 4.809 50 0 IJAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc(SC)nn32)cc1 ZINC000009608518 569552167 /nfs/dbraw/zinc/55/21/67/569552167.db2.gz MJZXJICNXRXEEY-SFHVURJKSA-N 0 0 441.944 4.590 50 0 IJAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4C)c(C)n3n2)c1 ZINC000009609175 569552241 /nfs/dbraw/zinc/55/22/41/569552241.db2.gz OTZUPUICPPLIRO-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN Cc1ccc(CNC(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)cc1 ZINC000009608960 569552243 /nfs/dbraw/zinc/55/22/43/569552243.db2.gz CIMADYOMVVAQAL-UHFFFAOYSA-N 0 0 433.435 4.728 50 0 IJAARN COc1cc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc(OC)c1 ZINC000009609838 569552418 /nfs/dbraw/zinc/55/24/18/569552418.db2.gz SGJJUAYFDSTFTP-UHFFFAOYSA-N 0 0 444.535 4.910 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc3oc2=O)cc1 ZINC000009610697 569552560 /nfs/dbraw/zinc/55/25/60/569552560.db2.gz ZAMIFXPBQZRTLJ-UHFFFAOYSA-N 0 0 447.512 4.803 50 0 IJAARN O=C(c1ccc(F)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc3c(cc2c1=O)OCO3 ZINC000009610730 569552577 /nfs/dbraw/zinc/55/25/77/569552577.db2.gz QPDNVEGWUXMSQJ-UHFFFAOYSA-N 0 0 435.838 4.802 50 0 IJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000009610794 569552613 /nfs/dbraw/zinc/55/26/13/569552613.db2.gz LTUBQHDOYWFUPM-UHFFFAOYSA-N 0 0 441.483 4.635 50 0 IJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc(OC)ccc32)cc1 ZINC000009610793 569552618 /nfs/dbraw/zinc/55/26/18/569552618.db2.gz GFRDFCHOGVSDEM-UHFFFAOYSA-N 0 0 427.500 4.915 50 0 IJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3cc4c(cc32)OCO4)c1 ZINC000009610782 569552642 /nfs/dbraw/zinc/55/26/42/569552642.db2.gz PECIKRDRAFAYHC-UHFFFAOYSA-N 0 0 441.483 4.635 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3F)c2=O)CCCC4)cc1 ZINC000009615360 569553206 /nfs/dbraw/zinc/55/32/06/569553206.db2.gz MEFPERKRNBEBDM-UHFFFAOYSA-N 0 0 434.536 4.843 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(Cl)cc3)c2=O)CCC4)cc1 ZINC000009615418 569553214 /nfs/dbraw/zinc/55/32/14/569553214.db2.gz AJXZRXKSWCKABT-UHFFFAOYSA-N 0 0 436.964 4.967 50 0 IJAARN C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009616466 569553284 /nfs/dbraw/zinc/55/32/84/569553284.db2.gz OEMBYSLIQQHRFU-IBGZPJMESA-N 0 0 429.520 4.832 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC(=O)NCc1ccco1 ZINC000009631756 569553794 /nfs/dbraw/zinc/55/37/94/569553794.db2.gz SLDYXYNEGRLNQH-UHFFFAOYSA-N 0 0 433.489 4.720 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000009633077 569554183 /nfs/dbraw/zinc/55/41/83/569554183.db2.gz UMXPORRKVXVADW-UHFFFAOYSA-N 0 0 429.476 4.981 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009642213 569555774 /nfs/dbraw/zinc/55/57/74/569555774.db2.gz GAZMRURTKNRCAL-OAHLLOKOSA-N 0 0 426.563 4.566 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(C)s2)c1 ZINC000009642114 569555781 /nfs/dbraw/zinc/55/57/81/569555781.db2.gz MAMMSINWBXODCM-UHFFFAOYSA-N 0 0 435.958 4.572 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000009646123 569556171 /nfs/dbraw/zinc/55/61/71/569556171.db2.gz MMSMVMFIIGUCCF-UHFFFAOYSA-N 0 0 430.913 4.792 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000009665324 569557539 /nfs/dbraw/zinc/55/75/39/569557539.db2.gz JMWUETKRJBZHAS-GOSISDBHSA-N 0 0 443.572 4.918 50 0 IJAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1C ZINC000009667720 569557851 /nfs/dbraw/zinc/55/78/51/569557851.db2.gz URUXVRDMOFOZGN-LJQANCHMSA-N 0 0 438.549 4.889 50 0 IJAARN COc1ccc(CC(=O)n2nc(-c3cccs3)nc2NCc2cccs2)cc1OC ZINC000009667669 569557867 /nfs/dbraw/zinc/55/78/67/569557867.db2.gz XFOXGCMMMPVZJR-UHFFFAOYSA-N 0 0 440.550 4.580 50 0 IJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009669853 569558144 /nfs/dbraw/zinc/55/81/44/569558144.db2.gz KCOYARUQIDHCCK-UHFFFAOYSA-N 0 0 440.927 4.872 50 0 IJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009670182 569558261 /nfs/dbraw/zinc/55/82/61/569558261.db2.gz QBYKWUOPQAYJAQ-SFHVURJKSA-N 0 0 430.533 4.615 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009671135 569558524 /nfs/dbraw/zinc/55/85/24/569558524.db2.gz PUKKXOGOTKTHSR-HSZRJFAPSA-N 0 0 446.551 4.919 50 0 IJAARN COc1cccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)c1 ZINC000009674039 569559020 /nfs/dbraw/zinc/55/90/20/569559020.db2.gz GLXOXBQQXFFYLX-UHFFFAOYSA-N 0 0 429.520 4.547 50 0 IJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009678794 569559682 /nfs/dbraw/zinc/55/96/82/569559682.db2.gz DNPUYRLDOSOEPF-UHFFFAOYSA-N 0 0 438.285 4.744 50 0 IJAARN COc1ccc2cc3cc(C(=O)NCc4cc(Br)ccc4OC)oc3nc2c1 ZINC000009680457 569560111 /nfs/dbraw/zinc/56/01/11/569560111.db2.gz TXHCVQJCJFGSCV-UHFFFAOYSA-N 0 0 441.281 4.691 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000009684200 569560481 /nfs/dbraw/zinc/56/04/81/569560481.db2.gz QEJLGRBYOYLOIX-GOSISDBHSA-N 0 0 441.556 4.764 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000009686011 569560698 /nfs/dbraw/zinc/56/06/98/569560698.db2.gz JKINWEPEMULVKW-UHFFFAOYSA-N 0 0 449.985 4.688 50 0 IJAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)Nc1cc(F)ccc1F ZINC000009687819 569560818 /nfs/dbraw/zinc/56/08/18/569560818.db2.gz KAXKMGAHXVWQFD-UHFFFAOYSA-N 0 0 425.460 4.890 50 0 IJAARN COc1cccc(-n2cnnc2SCCOc2ccc(Cl)cc2Br)c1 ZINC000009703549 569561335 /nfs/dbraw/zinc/56/13/35/569561335.db2.gz WIJWVCNGRPNUBT-UHFFFAOYSA-N 0 0 440.750 4.863 50 0 IJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(OCc2cscn2)cc1 ZINC000009713064 569562456 /nfs/dbraw/zinc/56/24/56/569562456.db2.gz BMYORYDRRBWSPF-UHFFFAOYSA-N 0 0 445.548 4.959 50 0 IJAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3nc4ccccc4s3)C2=O)cc1C ZINC000009713414 569562587 /nfs/dbraw/zinc/56/25/87/569562587.db2.gz WAMORELSIJMJLP-RUZDIDTESA-N 0 0 427.529 4.909 50 0 IJAARN COc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(Br)s3)cs2)cc1 ZINC000009713471 569562596 /nfs/dbraw/zinc/56/25/96/569562596.db2.gz UJLGFYFKURQCGZ-UHFFFAOYSA-N 0 0 437.384 4.844 50 0 IJAARN CCC(=O)N(c1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)s1)C1CC1 ZINC000009730231 569564387 /nfs/dbraw/zinc/56/43/87/569564387.db2.gz DECSWHISKLXJTB-UHFFFAOYSA-N 0 0 444.626 4.902 50 0 IJAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccc(N2CCCC2=O)cc1 ZINC000009731609 569564610 /nfs/dbraw/zinc/56/46/10/569564610.db2.gz GQPJKZBLNZTWHB-UHFFFAOYSA-N 0 0 446.576 4.609 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 ZINC000009741626 569565320 /nfs/dbraw/zinc/56/53/20/569565320.db2.gz DDYPJOZSJGRDAQ-HNNXBMFYSA-N 0 0 426.972 4.800 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ncc(Cc2ccccc2)s1)c1cccs1 ZINC000009742053 569565367 /nfs/dbraw/zinc/56/53/67/569565367.db2.gz CGTRNNLNHHHNHZ-FQEVSTJZSA-N 0 0 447.585 4.775 50 0 IJAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000009749313 569566014 /nfs/dbraw/zinc/56/60/14/569566014.db2.gz BJVSABDUGZUXSJ-UHFFFAOYSA-N 0 0 425.485 4.813 50 0 IJAARN CCc1ccccc1N(CC)C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000009776675 569567038 /nfs/dbraw/zinc/56/70/38/569567038.db2.gz QIDUSDAFXJKDDF-UHFFFAOYSA-N 0 0 436.552 4.904 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778707 569567340 /nfs/dbraw/zinc/56/73/40/569567340.db2.gz JKLHNYMZWYYLSX-NHCUHLMSSA-N 0 0 434.854 4.540 50 0 IJAARN Cc1cc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)n(-c2ccccc2)n1 ZINC000009780437 569567491 /nfs/dbraw/zinc/56/74/91/569567491.db2.gz FCPLQYOSEGDEME-UHFFFAOYSA-N 0 0 431.565 4.609 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009781134 569567585 /nfs/dbraw/zinc/56/75/85/569567585.db2.gz GGQAVGUGWPMYDR-UHFFFAOYSA-N 0 0 435.578 4.580 50 0 IJAARN COCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccccc1Cl ZINC000009797544 569568490 /nfs/dbraw/zinc/56/84/90/569568490.db2.gz AKNDSZNEMBIKQC-HNNXBMFYSA-N 0 0 430.961 4.754 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000009804732 569568701 /nfs/dbraw/zinc/56/87/01/569568701.db2.gz WOPQJDNNCKCMJN-HXUWFJFHSA-N 0 0 436.733 4.710 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000009804745 569568723 /nfs/dbraw/zinc/56/87/23/569568723.db2.gz AGJCELWVEOTFSH-IBGZPJMESA-N 0 0 443.931 4.904 50 0 IJAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000009823804 569569614 /nfs/dbraw/zinc/56/96/14/569569614.db2.gz JKOCLXRAGPFHCC-UHFFFAOYSA-N 0 0 425.275 4.648 50 0 IJAARN O=C(Oc1coc(CSc2ncccn2)cc1=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009829299 569570039 /nfs/dbraw/zinc/57/00/39/569570039.db2.gz QCYXMAQWGGTATD-UHFFFAOYSA-N 0 0 442.924 4.793 50 0 IJAARN Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)O2 ZINC000009833614 569570392 /nfs/dbraw/zinc/57/03/92/569570392.db2.gz OUSWOOHFRPCGBX-OAQYLSRUSA-N 0 0 434.879 4.608 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(C)c(Cl)c2)CC1 ZINC000009835352 569570639 /nfs/dbraw/zinc/57/06/39/569570639.db2.gz HMUYQGAQEOZEAR-OAQYLSRUSA-N 0 0 427.932 4.836 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)o1 ZINC000009835468 569570705 /nfs/dbraw/zinc/57/07/05/569570705.db2.gz MZATWVLCTLMTSU-UHFFFAOYSA-N 0 0 438.578 4.572 50 0 IJAARN CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000009836649 569570727 /nfs/dbraw/zinc/57/07/27/569570727.db2.gz PCDSXJBIOWVGGD-OAHLLOKOSA-N 0 0 437.594 4.886 50 0 IJAARN O=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)c1cccc(Br)c1 ZINC000009846181 569571030 /nfs/dbraw/zinc/57/10/30/569571030.db2.gz MZWPSSSMGVIILG-OAQYLSRUSA-N 0 0 440.293 4.554 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)cc1 ZINC000009847966 569571212 /nfs/dbraw/zinc/57/12/12/569571212.db2.gz MNGHBLKIYQSEHC-UHFFFAOYSA-N 0 0 434.590 4.945 50 0 IJAARN CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(CC)cc3c2=O)cc1 ZINC000009855884 569571570 /nfs/dbraw/zinc/57/15/70/569571570.db2.gz SXHHHWQAXGSLSZ-UHFFFAOYSA-N 0 0 438.527 4.996 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009858350 569571701 /nfs/dbraw/zinc/57/17/01/569571701.db2.gz QCPUHUNQSPRDQY-UHFFFAOYSA-N 0 0 445.592 4.853 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1nc2ccc(F)cc2s1 ZINC000009868374 569572336 /nfs/dbraw/zinc/57/23/36/569572336.db2.gz BPTHHCRPMGOHJH-UHFFFAOYSA-N 0 0 431.543 4.821 50 0 IJAARN CN(C(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[C@@H]1CCCc2ccccc21 ZINC000009871689 569572374 /nfs/dbraw/zinc/57/23/74/569572374.db2.gz SGIZMSKLPWOYFK-OAQYLSRUSA-N 0 0 447.535 4.800 50 0 IJAARN Cc1oc2cc(OCC(=O)N3CCc4ccccc4C3)ccc2c(=O)c1-c1ccccc1 ZINC000009872587 569572503 /nfs/dbraw/zinc/57/25/03/569572503.db2.gz RCDVNHDKSJJLJM-UHFFFAOYSA-N 0 0 425.484 4.732 50 0 IJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCC2 ZINC000071280324 569573621 /nfs/dbraw/zinc/57/36/21/569573621.db2.gz IPQYELWXHPOYEP-HSZRJFAPSA-N 0 0 433.552 4.936 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000009949774 569574247 /nfs/dbraw/zinc/57/42/47/569574247.db2.gz FKIAYNGPHKQMLM-UHFFFAOYSA-N 0 0 432.786 4.674 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009951177 569574459 /nfs/dbraw/zinc/57/44/59/569574459.db2.gz ODVIFSPKPJDFEH-KRWDZBQOSA-N 0 0 430.555 4.732 50 0 IJAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1F ZINC000009958648 569574888 /nfs/dbraw/zinc/57/48/88/569574888.db2.gz MIYHKRHSQYIDME-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000009959083 569575055 /nfs/dbraw/zinc/57/50/55/569575055.db2.gz LJNSCLCTMSRDLE-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c(OC)c1 ZINC000009959376 569575132 /nfs/dbraw/zinc/57/51/32/569575132.db2.gz PSMJIZYJHCARRC-UHFFFAOYSA-N 0 0 430.460 4.884 50 0 IJAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000009959817 569575201 /nfs/dbraw/zinc/57/52/01/569575201.db2.gz LIKZJBASUMILKS-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN O=C(CCc1ccc(-c2ccccc2)o1)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000009960535 569575426 /nfs/dbraw/zinc/57/54/26/569575426.db2.gz FGUAGCZIEKOFNF-UHFFFAOYSA-N 0 0 434.517 4.571 50 0 IJAARN COc1ccc(OC)c(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c32)c1 ZINC000071328136 569575464 /nfs/dbraw/zinc/57/54/64/569575464.db2.gz XMUKBRTXHGGXBB-UHFFFAOYSA-N 0 0 434.521 4.681 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)C=CC3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000009985288 569576712 /nfs/dbraw/zinc/57/67/12/569576712.db2.gz ZNAYVSIQPWCLRK-XNWCZRBMSA-N 0 0 437.923 4.802 50 0 IJAARN CCOc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(OCC)c1OCC ZINC000009985859 569576733 /nfs/dbraw/zinc/57/67/33/569576733.db2.gz KIVMORFQQGOVRK-UHFFFAOYSA-N 0 0 425.525 4.618 50 0 IJAARN COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1Cl ZINC000010013262 569577061 /nfs/dbraw/zinc/57/70/61/569577061.db2.gz GKBUZCXMUGVKDG-UHFFFAOYSA-N 0 0 440.286 4.953 50 0 IJAARN Cc1cc(SCC(=O)NCc2ccccc2Cn2cccn2)c(C)cc1Br ZINC000010235323 569579681 /nfs/dbraw/zinc/57/96/81/569579681.db2.gz KYAUOBWIZWHFIP-UHFFFAOYSA-N 0 0 444.398 4.719 50 0 IJAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000010252733 569579928 /nfs/dbraw/zinc/57/99/28/569579928.db2.gz URHBEYLRJPWHON-UHFFFAOYSA-N 0 0 441.361 4.702 50 0 IJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000010289620 569580539 /nfs/dbraw/zinc/58/05/39/569580539.db2.gz GPUDZNRHAYFYAD-JOCHJYFZSA-N 0 0 440.515 4.784 50 0 IJAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337035 569581136 /nfs/dbraw/zinc/58/11/36/569581136.db2.gz UZCVFKYSSPHPOG-FCHUYYIVSA-N 0 0 428.883 4.590 50 0 IJAARN Cc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=Nc3nnnn3[C@H](c3cccnc3)C21 ZINC000010337057 569581138 /nfs/dbraw/zinc/58/11/38/569581138.db2.gz NXBCOIGMGUAOHU-YADHBBJMSA-N 0 0 428.883 4.590 50 0 IJAARN Cc1cc(C)cc(-n2c(S[C@@H](C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 ZINC000010368649 569581489 /nfs/dbraw/zinc/58/14/89/569581489.db2.gz NDHVKAQPTKDZHT-SFHVURJKSA-N 0 0 435.593 4.932 50 0 IJAARN Cc1ccccc1Nc1oc2c(c1-c1ccc(Cl)c(Cl)c1)c(=O)n(C)c(=O)n2C ZINC000010383520 569581766 /nfs/dbraw/zinc/58/17/66/569581766.db2.gz XVWOBBYIRUMTGE-UHFFFAOYSA-N 0 0 430.291 4.856 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C\c3cnn(-c4ccccc4)c3)C2=O)cc1 ZINC000071802183 569581773 /nfs/dbraw/zinc/58/17/73/569581773.db2.gz KNPMVFLLEJRISE-MFKUBSTISA-N 0 0 435.483 4.604 50 0 IJAARN COc1cccc(NC(=O)[C@H](C)Sc2nc3sccc3c(=O)n2-c2ccccc2)c1 ZINC000010490612 569582593 /nfs/dbraw/zinc/58/25/93/569582593.db2.gz VDBSNKOVJMHYGC-AWEZNQCLSA-N 0 0 437.546 4.575 50 0 IJAARN O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(F)c1 ZINC000009108818 569583563 /nfs/dbraw/zinc/58/35/63/569583563.db2.gz LBPWKAPKZMJROS-UHFFFAOYSA-N 0 0 436.331 4.839 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)C(=O)C1CCCC1 ZINC000036049430 569583893 /nfs/dbraw/zinc/58/38/93/569583893.db2.gz RZLZFLQGTJMWSF-UHFFFAOYSA-N 0 0 444.579 5.133 50 0 IJAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099346 569585176 /nfs/dbraw/zinc/58/51/76/569585176.db2.gz OJOYMXACWDIAOL-UHFFFAOYSA-N 0 0 438.535 4.578 50 0 IJAARN COc1cc(COCC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000077099664 569585260 /nfs/dbraw/zinc/58/52/60/569585260.db2.gz ACLRMOLXFRGCGO-UHFFFAOYSA-N 0 0 437.458 4.792 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000077101226 569585595 /nfs/dbraw/zinc/58/55/95/569585595.db2.gz OQZCLLCCQBIYHV-UHFFFAOYSA-N 0 0 441.881 4.544 50 0 IJAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177413 569585785 /nfs/dbraw/zinc/58/57/85/569585785.db2.gz SFPFRFLKNLOFOK-INIZCTEOSA-N 0 0 433.512 4.754 50 0 IJAARN COc1cccc2cc(C(=O)N3CC(c4nc(-c5cccc(C(F)(F)F)c5)no4)C3)oc21 ZINC000077190953 569585918 /nfs/dbraw/zinc/58/59/18/569585918.db2.gz WYUYXHUYFANEDA-UHFFFAOYSA-N 0 0 443.381 4.750 50 0 IJAARN CCOC(=O)CCC(=O)Nc1ccc(-c2cccc(-c3cc(OC)ccc3OC)n2)cc1 ZINC000023335111 569587215 /nfs/dbraw/zinc/58/72/15/569587215.db2.gz PUZDQGXPEDFGDP-UHFFFAOYSA-N 0 0 434.492 4.715 50 0 IJAARN COc1ccc(CSc2nccc3c2ccn3CC(=O)Nc2ccccc2OC)cc1 ZINC000033298652 569587518 /nfs/dbraw/zinc/58/75/18/569587518.db2.gz KPQGSKYUYGTWOR-UHFFFAOYSA-N 0 0 433.533 4.985 50 0 IJAARN Cc1ccc(C(=O)NC2CCCCC2)c(C2CCN(C(=O)NCc3ccccc3)CC2)n1 ZINC000034729676 569587565 /nfs/dbraw/zinc/58/75/65/569587565.db2.gz NXOJHVJBGCFUFX-UHFFFAOYSA-N 0 0 434.584 4.542 50 0 IJAARN NC1=C(c2nc(-c3cccc(C(F)(F)F)c3)cs2)C(=O)CN1CCCc1ccccc1 ZINC000034770063 569587647 /nfs/dbraw/zinc/58/76/47/569587647.db2.gz NEDJNKBGYZYERA-UHFFFAOYSA-N 0 0 443.494 4.974 50 0 IJAARN COc1cc2nc(C(Cl)=Cc3csc(-c4ccsc4)n3)[nH]c(=O)c2cc1OC ZINC000211307926 569588244 /nfs/dbraw/zinc/58/82/44/569588244.db2.gz HRRMVOIORAVYQZ-WLRTZDKTSA-N 0 0 431.926 4.862 50 0 IJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(OC)cc3)cc21 ZINC000000623812 193860087 /nfs/dbraw/zinc/86/00/87/193860087.db2.gz UFNVECQMFSCSGS-UHFFFAOYSA-N 0 0 447.281 4.951 50 0 IJAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 ZINC000000636803 193865959 /nfs/dbraw/zinc/86/59/59/193865959.db2.gz LYBIXUFTHIORMC-JTQLQIEISA-N 0 0 428.337 4.984 50 0 IJAARN Cc1ccccc1N(CC(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000000640219 193867562 /nfs/dbraw/zinc/86/75/62/193867562.db2.gz JRGFFCDWDIVQGO-UHFFFAOYSA-N 0 0 426.563 4.551 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000006144500 193883518 /nfs/dbraw/zinc/88/35/18/193883518.db2.gz PKVSJLCECKEANK-BUHFOSPRSA-N 0 0 426.925 4.683 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1 ZINC000009837824 193903032 /nfs/dbraw/zinc/90/30/32/193903032.db2.gz OLJIQPIEMWKMKJ-UHFFFAOYSA-N 0 0 441.553 4.557 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4cc(OC)ccc4OC)CC3)sc2c1 ZINC000009847996 193906374 /nfs/dbraw/zinc/90/63/74/193906374.db2.gz OJTNEMIRXGTODN-UHFFFAOYSA-N 0 0 441.553 4.567 50 0 IJAARN O=C1CC2(CCN(c3nc(/C=C\c4ccccc4)nc4sc5c(c43)CCCC5)CC2)N1 ZINC000096313889 132225621 /nfs/dbraw/zinc/22/56/21/132225621.db2.gz JOBMYFZZBPZWCX-KHPPLWFESA-N 0 0 430.577 4.599 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(OCC)cc2)C=C(C(=O)OCC)C1c1ccc(C)s1 ZINC000000717231 132229834 /nfs/dbraw/zinc/22/98/34/132229834.db2.gz UWADIVYGSRCJIF-UHFFFAOYSA-N 0 0 441.549 4.953 50 0 IJAARN Clc1ccc(-c2csc3ncnc(NCc4ccc(N5CCOCC5)nc4)c23)cc1 ZINC000009498542 132232308 /nfs/dbraw/zinc/23/23/08/132232308.db2.gz OWMPJZAZMZBFLL-UHFFFAOYSA-N 0 0 437.956 4.855 50 0 IJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000009635184 132234483 /nfs/dbraw/zinc/23/44/83/132234483.db2.gz VINWMHCXHCGYBX-UHFFFAOYSA-N 0 0 432.364 4.742 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009646386 132234502 /nfs/dbraw/zinc/23/45/02/132234502.db2.gz JONOMDBIGKVYAA-NRFANRHFSA-N 0 0 429.501 4.996 50 0 IJAARN O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000009569385 132234875 /nfs/dbraw/zinc/23/48/75/132234875.db2.gz RFTMJZBLHXUAAT-UHFFFAOYSA-N 0 0 432.501 4.827 50 0 IJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(F)cc1 ZINC000001108535 132237234 /nfs/dbraw/zinc/23/72/34/132237234.db2.gz NMMNUZGNGJXONV-UHFFFAOYSA-N 0 0 425.451 4.962 50 0 IJAARN Cc1cccc(-n2ncc3c2ncnc3N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000001259875 132240932 /nfs/dbraw/zinc/24/09/32/132240932.db2.gz VWRZSJWNSRDQQY-UHFFFAOYSA-N 0 0 439.350 4.757 50 0 IJAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)cc1Cl ZINC000010186647 132243297 /nfs/dbraw/zinc/24/32/97/132243297.db2.gz XLYUAIJAWIGCMW-UHFFFAOYSA-N 0 0 429.307 4.539 50 0 IJAARN CSc1ccc([C@@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)cc1 ZINC000001427611 132245254 /nfs/dbraw/zinc/24/52/54/132245254.db2.gz KPUVLMUTOJASNH-INIZCTEOSA-N 0 0 430.323 4.502 50 0 IJAARN COc1cc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC ZINC000002338076 132252522 /nfs/dbraw/zinc/25/25/22/132252522.db2.gz OPQWCRILQBQTND-UHFFFAOYSA-N 0 0 426.520 4.641 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Br)cc1 ZINC000002835483 132257500 /nfs/dbraw/zinc/25/75/00/132257500.db2.gz ZYBOHZKRGZYZQH-UHFFFAOYSA-N 0 0 429.236 4.557 50 0 IJAARN Cn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1 ZINC000002882809 132258177 /nfs/dbraw/zinc/25/81/77/132258177.db2.gz GNAZTCAVDCAUBI-HKUYNNGSSA-N 0 0 432.574 4.576 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(Cl)cc1 ZINC000004109614 132269709 /nfs/dbraw/zinc/26/97/09/132269709.db2.gz CLENTWRQZSAFMH-UHFFFAOYSA-N 0 0 425.941 4.616 50 0 IJAARN C[C@@H](C(=O)NC1CCCCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000005022105 132274899 /nfs/dbraw/zinc/27/48/99/132274899.db2.gz DRUIUQOXDMYHIK-OPAMFIHVSA-N 0 0 426.557 4.918 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3Cc3cccc(C)c3)CC2)cc1 ZINC000006838811 132279542 /nfs/dbraw/zinc/27/95/42/132279542.db2.gz RIWZPZOPBGJYPF-UHFFFAOYSA-N 0 0 428.580 4.517 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 ZINC000008718487 132291553 /nfs/dbraw/zinc/29/15/53/132291553.db2.gz QNUKEQXFUIPILO-MBSDFSHPSA-N 0 0 434.517 4.908 50 0 IJAARN CC1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)CC1 ZINC000008774288 132293986 /nfs/dbraw/zinc/29/39/86/132293986.db2.gz UUPWFWGYEDHWHL-UHFFFAOYSA-N 0 0 437.609 4.890 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CCCN2c2cc(C(F)(F)F)ccc21 ZINC000008781593 132294470 /nfs/dbraw/zinc/29/44/70/132294470.db2.gz MBGJBGOAJFNMMQ-CQSZACIVSA-N 0 0 446.878 4.545 50 0 IJAARN O=C(Nc1nc2ccc(SC(F)F)cc2s1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000008825888 132295277 /nfs/dbraw/zinc/29/52/77/132295277.db2.gz BMEXHOXZWCSIDK-UHFFFAOYSA-N 0 0 432.477 4.733 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)cc1 ZINC000008912838 132297762 /nfs/dbraw/zinc/29/77/62/132297762.db2.gz KLIXXOAEGSACOQ-KRWDZBQOSA-N 0 0 434.540 4.825 50 0 IJAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912845 132297764 /nfs/dbraw/zinc/29/77/64/132297764.db2.gz ZKDXGMMDHIHCGE-QGZVFWFLSA-N 0 0 434.540 4.559 50 0 IJAARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000008990224 132299580 /nfs/dbraw/zinc/29/95/80/132299580.db2.gz NMEUQPOPSDJZFT-UHFFFAOYSA-N 0 0 433.939 4.928 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccc(C)cc3C)[C@@H](c3ccsc3)C2=O)c1 ZINC000009129933 132305814 /nfs/dbraw/zinc/30/58/14/132305814.db2.gz NQFWENKCAJQBHK-QHCPKHFHSA-N 0 0 436.533 4.503 50 0 IJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000009224247 132309786 /nfs/dbraw/zinc/30/97/86/132309786.db2.gz DMWAHUPUSMKHGK-UHFFFAOYSA-N 0 0 431.920 4.620 50 0 IJAARN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc12 ZINC000009229094 132310158 /nfs/dbraw/zinc/31/01/58/132310158.db2.gz FUVGHDDERZDCRW-UHFFFAOYSA-N 0 0 442.538 4.803 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000009405825 132315015 /nfs/dbraw/zinc/31/50/15/132315015.db2.gz MSVTWUSSIIXFOD-MRXNPFEDSA-N 0 0 441.959 4.960 50 0 IJAARN CCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009435727 132317658 /nfs/dbraw/zinc/31/76/58/132317658.db2.gz GGWSSQBHTKPHEG-UHFFFAOYSA-N 0 0 448.947 4.637 50 0 IJAARN Fc1ccc(-c2csc3ncnc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c23)cc1 ZINC000009527731 132320383 /nfs/dbraw/zinc/32/03/83/132320383.db2.gz XQJUKGXQVFARFN-UHFFFAOYSA-N 0 0 448.523 4.548 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000009539906 132321047 /nfs/dbraw/zinc/32/10/47/132321047.db2.gz DIWBTSFEBBOEEB-UHFFFAOYSA-N 0 0 444.597 4.903 50 0 IJAARN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12 ZINC000009598428 132322881 /nfs/dbraw/zinc/32/28/81/132322881.db2.gz BEYXWVAOMKNFQW-QZTJIDSGSA-N 0 0 448.567 4.654 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2C)C(=O)CS3)cc1 ZINC000009673021 132325330 /nfs/dbraw/zinc/32/53/30/132325330.db2.gz FPDIWVIJJCYXKC-UHFFFAOYSA-N 0 0 432.545 4.573 50 0 IJAARN CC(C)[C@@H](NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)c1cccs1 ZINC000009686337 132325816 /nfs/dbraw/zinc/32/58/16/132325816.db2.gz JGHQXACNGBCXNY-OAQYLSRUSA-N 0 0 426.611 4.997 50 0 IJAARN CCc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708833 132326675 /nfs/dbraw/zinc/32/66/75/132326675.db2.gz NWQNRKFSMMMOEV-UHFFFAOYSA-N 0 0 444.461 4.777 50 0 IJAARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009726359 132327763 /nfs/dbraw/zinc/32/77/63/132327763.db2.gz OXZHDOJMHSJSLZ-CQSZACIVSA-N 0 0 446.557 4.824 50 0 IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776479 132328613 /nfs/dbraw/zinc/32/86/13/132328613.db2.gz HUMIQEUXPSQIND-ILBGXUMGSA-N 0 0 448.494 4.966 50 0 IJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCc3ccc(F)cc3)c1)c1ccccc1O2 ZINC000009941769 132332404 /nfs/dbraw/zinc/33/24/04/132332404.db2.gz MIYQTAOPLYXAHI-PXDATVDWSA-N 0 0 431.467 4.525 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)c(OC)c1 ZINC000009962403 132332815 /nfs/dbraw/zinc/33/28/15/132332815.db2.gz GIVFWCTUUIPNAP-UHFFFAOYSA-N 0 0 448.588 4.789 50 0 biogenic IJAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc(Br)ccc1Cl ZINC000009972103 132333446 /nfs/dbraw/zinc/33/34/46/132333446.db2.gz ZXEHQWHGOGNBPJ-UHFFFAOYSA-N 0 0 430.129 4.845 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)N(CC(=O)c2ccccc2)c2ccccc2S1(=O)=O ZINC000010273602 132335493 /nfs/dbraw/zinc/33/54/93/132335493.db2.gz NSOGCOCNCIAHCT-UHFFFAOYSA-N 0 0 440.908 4.667 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(SC)c1 ZINC000011119266 132337399 /nfs/dbraw/zinc/33/73/99/132337399.db2.gz RQYIOQRQKVMWGS-UHFFFAOYSA-N 0 0 438.574 4.785 50 0 IJAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000013041858 132343538 /nfs/dbraw/zinc/34/35/38/132343538.db2.gz OTCLCDHDWDMWCB-MDZDMXLPSA-N 0 0 428.960 4.726 50 0 IJAARN Cc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000013056947 132343565 /nfs/dbraw/zinc/34/35/65/132343565.db2.gz CIJOXHWWKGTVCS-UHFFFAOYSA-N 0 0 447.966 4.640 50 0 IJAARN O=C(OCc1ccccc1)N1CN(Cc2ccccc2)Cc2c(=O)c3ccccc3oc21 ZINC000013426909 132346856 /nfs/dbraw/zinc/34/68/56/132346856.db2.gz RCPNXDMADRMXPO-UHFFFAOYSA-N 0 0 426.472 4.910 50 0 IJAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583850 132351133 /nfs/dbraw/zinc/35/11/33/132351133.db2.gz AXVWHTQBXZOXFB-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1OC ZINC000013610228 132351797 /nfs/dbraw/zinc/35/17/97/132351797.db2.gz OWNMRFBLCRFIDW-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1C ZINC000011873224 518221032 /nfs/dbraw/zinc/22/10/32/518221032.db2.gz BCDONEYYFMYQFX-GOSISDBHSA-N 0 0 427.520 4.553 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1C ZINC000023742645 518223493 /nfs/dbraw/zinc/22/34/93/518223493.db2.gz XJUAGSFEVCIAMZ-UHFFFAOYSA-N 0 0 426.520 4.959 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1C ZINC000012751109 518233241 /nfs/dbraw/zinc/23/32/41/518233241.db2.gz BEUFFJYRMQTRDZ-INIZCTEOSA-N 0 0 443.565 4.970 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)cc1 ZINC000012593198 518349072 /nfs/dbraw/zinc/34/90/72/518349072.db2.gz DDPVTBZAXCHOEF-UHFFFAOYSA-N 0 0 431.517 4.721 50 0 IJAARN CC(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000012909436 518355761 /nfs/dbraw/zinc/35/57/61/518355761.db2.gz MNNRFHPOHJBBOY-UHFFFAOYSA-N 0 0 429.398 4.532 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCc2nc(CSc3nc4cc(C)ccc4o3)no2)c1 ZINC000021355572 518427723 /nfs/dbraw/zinc/42/77/23/518427723.db2.gz XXTZJQHDVGCQPE-UHFFFAOYSA-N 0 0 436.493 4.585 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1 ZINC000021355561 518427961 /nfs/dbraw/zinc/42/79/61/518427961.db2.gz CGOVSNXKGOZQTB-UHFFFAOYSA-N 0 0 438.534 4.746 50 0 IJAARN CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012749825 518580715 /nfs/dbraw/zinc/58/07/15/518580715.db2.gz DGMXVQRIOCDGJX-UHFFFAOYSA-N 0 0 449.473 4.839 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c(=O)c23)C1 ZINC000021352439 518946321 /nfs/dbraw/zinc/94/63/21/518946321.db2.gz MCGHOMHXIRSZCF-CYBMUJFWSA-N 0 0 427.545 4.846 50 0 IJAARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C(C)(C)N1CCOCC1 ZINC000021486940 518953962 /nfs/dbraw/zinc/95/39/62/518953962.db2.gz VSLJBRUOVBWFNV-KOEDOTQGSA-N 0 0 438.403 4.848 50 0 IJAARN CC(C)(C)c1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000035622719 519005517 /nfs/dbraw/zinc/00/55/17/519005517.db2.gz HMWYLJGLRBQWBV-SFTDATJTSA-N 0 0 436.552 4.862 50 0 IJAARN CC(C)(C)c1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)(C)C)c1O ZINC000035622718 519006237 /nfs/dbraw/zinc/00/62/37/519006237.db2.gz HMWYLJGLRBQWBV-LEWJYISDSA-N 0 0 436.552 4.862 50 0 IJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2[nH]nc3c2CCCC3)cc1 ZINC000012447363 519011830 /nfs/dbraw/zinc/01/18/30/519011830.db2.gz MLNQDIQUUVYKGD-QFIPXVFZSA-N 0 0 445.611 4.898 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nc2)cc1 ZINC000034667610 519022092 /nfs/dbraw/zinc/02/20/92/519022092.db2.gz ULSCOPJEKBRRQL-UHFFFAOYSA-N 0 0 442.563 4.594 50 0 IJAARN CC(C)(C)c1ccc([C@H](CC(=O)NCCCN2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035893094 519050046 /nfs/dbraw/zinc/05/00/46/519050046.db2.gz XTHBBSVSBDEHJG-DEOSSOPVSA-N 0 0 447.623 4.826 50 0 IJAARN CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O)c1ccccc1 ZINC000021991696 519240128 /nfs/dbraw/zinc/24/01/28/519240128.db2.gz HNQNCMNLDYVOGH-YIXXDRMTSA-N 0 0 443.547 4.510 50 0 IJAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000021661376 519315935 /nfs/dbraw/zinc/31/59/35/519315935.db2.gz MIXVQMQBGNWUMW-UHFFFAOYSA-N 0 0 434.517 4.669 50 0 IJAARN CC(C)Cn1c(CNC(=O)c2ccccc2C(F)(F)F)nnc1SCc1ccncc1 ZINC000012152850 519486084 /nfs/dbraw/zinc/48/60/84/519486084.db2.gz DOVFFKPHEOHLIZ-UHFFFAOYSA-N 0 0 449.502 4.570 50 0 IJAARN CC(C)CC(=O)Nc1ccc2nc(SCc3cc(=O)n4ccsc4n3)sc2c1 ZINC000020983992 519607328 /nfs/dbraw/zinc/60/73/28/519607328.db2.gz SLLFODGVAWGDAJ-UHFFFAOYSA-N 0 0 430.580 4.643 50 0 IJAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000016762080 519631007 /nfs/dbraw/zinc/63/10/07/519631007.db2.gz LEFOKHWDNLYCHU-LBPRGKRZSA-N 0 0 427.913 4.663 50 0 IJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1nc(-c4ccc(F)c(F)c4)cs1)(C3)C2 ZINC000012751939 519643095 /nfs/dbraw/zinc/64/30/95/519643095.db2.gz XPCHDMFUYMEUPJ-NAZSJPOASA-N 0 0 431.508 4.502 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1C[C@@H](C)c1ccccc1 ZINC000021864735 519660004 /nfs/dbraw/zinc/66/00/04/519660004.db2.gz IMERFTDGWHLHBW-NFQMXDRXSA-N 0 0 447.579 4.929 50 0 IJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000033037085 519701663 /nfs/dbraw/zinc/70/16/63/519701663.db2.gz PZHMDVDNXVDNAA-UHFFFAOYSA-N 0 0 442.494 4.875 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000035684645 519725405 /nfs/dbraw/zinc/72/54/05/519725405.db2.gz GTCVDPBBVJMJQZ-GOSISDBHSA-N 0 0 437.887 4.642 50 0 IJAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000012593652 519731282 /nfs/dbraw/zinc/73/12/82/519731282.db2.gz GLGIRQXXNSVUDA-UHFFFAOYSA-N 0 0 437.565 4.503 50 0 IJAARN CC(C)[C@@H](C(=O)OCc1ccccc1)N1COc2ccc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000035828494 519789781 /nfs/dbraw/zinc/78/97/81/519789781.db2.gz ZOOCCPOPMFRAAH-DEOSSOPVSA-N 0 0 447.531 4.592 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000012852087 519798274 /nfs/dbraw/zinc/79/82/74/519798274.db2.gz NRCPQHDMBDMJDP-LJQANCHMSA-N 0 0 436.581 4.896 50 0 IJAARN CC(C)c1ccc(-c2nc(-c3ccc4c(c3)ncn4CCC(=O)N3CCCC3)no2)cc1 ZINC000035460138 519833892 /nfs/dbraw/zinc/83/38/92/519833892.db2.gz FBLDHCIYMVOUFP-UHFFFAOYSA-N 0 0 429.524 4.889 50 0 IJAARN CC(C)c1nc2c(cnn2-c2ccccc2)c(NC2CCC(NC(=O)C3CCCC3)CC2)n1 ZINC000036002970 519868702 /nfs/dbraw/zinc/86/87/02/519868702.db2.gz FIQCCLMSJKNWRY-UHFFFAOYSA-N 0 0 446.599 4.968 50 0 IJAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725344 520297120 /nfs/dbraw/zinc/29/71/20/520297120.db2.gz AOEUQZBJLRCFHX-HNNXBMFYSA-N 0 0 434.521 4.754 50 0 IJAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000012758582 520401174 /nfs/dbraw/zinc/40/11/74/520401174.db2.gz YCSYZWWBPZTMJP-FMIVXFBMSA-N 0 0 430.489 4.582 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000021725529 520433868 /nfs/dbraw/zinc/43/38/68/520433868.db2.gz JIOSTHIKNRLJSD-OAHLLOKOSA-N 0 0 434.521 4.754 50 0 IJAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2ccc3oc(C)cc3c2)CC1 ZINC000012475107 520463510 /nfs/dbraw/zinc/46/35/10/520463510.db2.gz VREAXWUGZXFGAD-UHFFFAOYSA-N 0 0 435.520 4.778 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cccn2-c2nccs2)CC1 ZINC000012440153 520465997 /nfs/dbraw/zinc/46/59/97/520465997.db2.gz PFPYCBMYNARIQQ-UHFFFAOYSA-N 0 0 444.000 4.975 50 0 IJAARN CCCCN(CCCC)c1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4 ZINC000020461523 520498185 /nfs/dbraw/zinc/49/81/85/520498185.db2.gz UYQCSIRTEXHHDE-UHFFFAOYSA-N 0 0 439.629 4.971 50 0 IJAARN CCCCN(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)Nc1ccc(F)cc1F ZINC000036000389 520541062 /nfs/dbraw/zinc/54/10/62/520541062.db2.gz FFDKQKOHURZGJG-UHFFFAOYSA-N 0 0 443.498 4.958 50 0 IJAARN CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000021005923 520564539 /nfs/dbraw/zinc/56/45/39/520564539.db2.gz LGWPNKLLLOBKAL-SFHVURJKSA-N 0 0 430.430 4.772 50 0 IJAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000012613022 520574385 /nfs/dbraw/zinc/57/43/85/520574385.db2.gz MJXOOOORYMYCEZ-QHCPKHFHSA-N 0 0 443.526 4.700 50 0 IJAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)ccc1O ZINC000021523877 520779564 /nfs/dbraw/zinc/77/95/64/520779564.db2.gz MCXDSHLXFSJMPD-FQEVSTJZSA-N 0 0 429.929 4.713 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012596265 520783024 /nfs/dbraw/zinc/78/30/24/520783024.db2.gz YQGMHCUNGJMQMJ-UHFFFAOYSA-N 0 0 428.476 4.605 50 0 IJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)cc1Br)O[C@@H](C)C2 ZINC000012739804 520796946 /nfs/dbraw/zinc/79/69/46/520796946.db2.gz PSVMIFDKJVJPAK-UONOGXRCSA-N 0 0 433.346 4.919 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1ccccc1Cl)CC2 ZINC000021043912 520797483 /nfs/dbraw/zinc/79/74/83/520797483.db2.gz ALAWBMNMRDKVEH-LJQANCHMSA-N 0 0 446.931 4.832 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cccc(C)c1C)CC2 ZINC000021043936 520798837 /nfs/dbraw/zinc/79/88/37/520798837.db2.gz CNYZLKZSJHIKCS-OAQYLSRUSA-N 0 0 440.540 4.795 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000021044117 520800159 /nfs/dbraw/zinc/80/01/59/520800159.db2.gz VEEXQTDRHQPKMR-NRFANRHFSA-N 0 0 440.540 4.795 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nc4sccc4c(=O)n3C)cs2)cc1OC ZINC000022150806 520816845 /nfs/dbraw/zinc/81/68/45/520816845.db2.gz QIOKGPLKICPLEL-UHFFFAOYSA-N 0 0 445.591 4.818 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N(C)Cc3ccco3)nnc2-c2ccccc2)cc1 ZINC000012593127 520832751 /nfs/dbraw/zinc/83/27/51/520832751.db2.gz FMGWWNKJJSBCII-UHFFFAOYSA-N 0 0 448.548 4.677 50 0 IJAARN CCOc1ccc(-n2nc(C(=O)N(C)c3ccccc3CC)c3ccccc3c2=O)cc1 ZINC000020804911 520838781 /nfs/dbraw/zinc/83/87/81/520838781.db2.gz VJVOZECCURKXAD-UHFFFAOYSA-N 0 0 427.504 4.623 50 0 IJAARN CCCCOc1ccc(C(NC(=O)Cc2ccccc2)NC(=O)Cc2ccccc2)cc1 ZINC000012410734 520873439 /nfs/dbraw/zinc/87/34/39/520873439.db2.gz TUGIBKWHFCHJHB-UHFFFAOYSA-N 0 0 430.548 4.582 50 0 IJAARN CCOc1ccc(C(=O)N(Cc2nc(-c3ccc(OC)cc3)no2)C(C)C)cc1OCC ZINC000012654418 520892926 /nfs/dbraw/zinc/89/29/26/520892926.db2.gz WXGWZZWQZDOPEW-UHFFFAOYSA-N 0 0 439.512 4.593 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCCC2)CC1 ZINC000021808703 520951201 /nfs/dbraw/zinc/95/12/01/520951201.db2.gz WOSBIJSXQLHZGP-XSVIMGFGSA-N 0 0 427.614 4.945 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(Cl)c2Cl)cc1OCC ZINC000023533041 521057789 /nfs/dbraw/zinc/05/77/89/521057789.db2.gz VUECQAHHEADASY-UHFFFAOYSA-N 0 0 425.312 4.502 50 0 IJAARN CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000033268956 521064878 /nfs/dbraw/zinc/06/48/78/521064878.db2.gz IRFKAQNOXDMLEM-UHFFFAOYSA-N 0 0 436.512 4.973 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033327347 521064941 /nfs/dbraw/zinc/06/49/41/521064941.db2.gz CBHUDTYIEBWSQI-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000035976684 521089832 /nfs/dbraw/zinc/08/98/32/521089832.db2.gz GVSIAYXWLVZCIZ-OAQYLSRUSA-N 0 0 449.551 4.899 50 0 IJAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000035980536 521089877 /nfs/dbraw/zinc/08/98/77/521089877.db2.gz KBJNQIQWXIOLHY-HXUWFJFHSA-N 0 0 449.551 4.806 50 0 IJAARN CCOc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000033263731 521094526 /nfs/dbraw/zinc/09/45/26/521094526.db2.gz SLXUMBPEPGGPNB-UHFFFAOYSA-N 0 0 429.524 4.551 50 0 IJAARN CCOc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 ZINC000021100004 521099691 /nfs/dbraw/zinc/09/96/91/521099691.db2.gz SKVOBBYUKFKTMT-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(C)cc1)C(F)(F)F ZINC000012412274 521172853 /nfs/dbraw/zinc/17/28/53/521172853.db2.gz MSNIAZFBXUGTTK-SFHVURJKSA-N 0 0 448.363 4.677 50 0 IJAARN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccccc2C(N)=O)cc1 ZINC000012801536 521182968 /nfs/dbraw/zinc/18/29/68/521182968.db2.gz LQSMVLURQDLJQQ-UHFFFAOYSA-N 0 0 440.883 4.647 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000033297908 521196292 /nfs/dbraw/zinc/19/62/92/521196292.db2.gz BPORCRSJMISACL-LCYFTJDESA-N 0 0 439.537 4.920 50 0 IJAARN CCC(=O)Nc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1 ZINC000024752377 521197684 /nfs/dbraw/zinc/19/76/84/521197684.db2.gz WPQBKBKXYPRPAI-UHFFFAOYSA-N 0 0 429.567 4.612 50 0 IJAARN CCOC(=O)[C@H](C)NC(=O)Nc1ccc2nc(-c3cccc(Cl)c3)cc(OC)c2c1 ZINC000033129261 521202635 /nfs/dbraw/zinc/20/26/35/521202635.db2.gz NUMDKEYZMRUIDM-ZDUSSCGKSA-N 0 0 427.888 4.637 50 0 IJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000015863791 521204145 /nfs/dbraw/zinc/20/41/45/521204145.db2.gz IVOMKAVGCANYEQ-QGZVFWFLSA-N 0 0 426.520 4.993 50 0 IJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000021523841 521248778 /nfs/dbraw/zinc/24/87/78/521248778.db2.gz SGCCBSYKYTZLDJ-NRFANRHFSA-N 0 0 427.501 4.502 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2cccc(F)c2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530627 521262509 /nfs/dbraw/zinc/26/25/09/521262509.db2.gz OFDCWDXOHUCINC-QFIPXVFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC ZINC000021523843 521275779 /nfs/dbraw/zinc/27/57/79/521275779.db2.gz SGCCBSYKYTZLDJ-OAQYLSRUSA-N 0 0 427.501 4.502 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2C)C1 ZINC000035987313 521295247 /nfs/dbraw/zinc/29/52/47/521295247.db2.gz XATOYOHUGPTJMT-FQEVSTJZSA-N 0 0 445.519 4.660 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)c(Cl)c3)c2C(C)C)C1 ZINC000035961414 521295856 /nfs/dbraw/zinc/29/58/56/521295856.db2.gz KOEMFIOHGYNXLU-AWEZNQCLSA-N 0 0 438.355 4.718 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccco2)C(=O)c2ccc(C)cc2)c1C ZINC000036004332 521363597 /nfs/dbraw/zinc/36/35/97/521363597.db2.gz ISOCVUWGYZICQZ-GOSISDBHSA-N 0 0 436.508 4.623 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2ccc(OC)cc2)c1C ZINC000035447881 521366567 /nfs/dbraw/zinc/36/65/67/521366567.db2.gz SXMUIGDSWYDYSC-UHFFFAOYSA-N 0 0 425.485 4.644 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000021486612 521371037 /nfs/dbraw/zinc/37/10/37/521371037.db2.gz GJFRGKIRGOOJGG-QZTJIDSGSA-N 0 0 444.597 4.646 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3ccc(C)cc3nc21 ZINC000017249675 521395763 /nfs/dbraw/zinc/39/57/63/521395763.db2.gz LOMLRSVCTRIRSY-UHFFFAOYSA-N 0 0 448.523 4.971 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527860 521406624 /nfs/dbraw/zinc/40/66/24/521406624.db2.gz GFQALWGZFUARGR-IBGZPJMESA-N 0 0 431.945 4.868 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000023336864 521423718 /nfs/dbraw/zinc/42/37/18/521423718.db2.gz HUUXGXIPVMKDJO-UHFFFAOYSA-N 0 0 437.565 4.828 50 0 IJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN(C)CCOc1ccc(Cl)cc1 ZINC000012635057 521428747 /nfs/dbraw/zinc/42/87/47/521428747.db2.gz IALJQMKSLOBGIN-UHFFFAOYSA-N 0 0 438.977 4.651 50 0 IJAARN CCOC(=O)c1cc(C2CC2)n(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000022650630 521432200 /nfs/dbraw/zinc/43/22/00/521432200.db2.gz AICGQVPQMAMGGQ-UHFFFAOYSA-N 0 0 436.339 4.721 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000012890192 521457690 /nfs/dbraw/zinc/45/76/90/521457690.db2.gz OJSGKIJZUKVMMK-UHFFFAOYSA-N 0 0 440.528 4.862 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000035944999 521483192 /nfs/dbraw/zinc/48/31/92/521483192.db2.gz XSGKCMBMYFWSQX-NRFANRHFSA-N 0 0 441.572 4.542 50 0 IJAARN CCOC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 ZINC000012543979 521518837 /nfs/dbraw/zinc/51/88/37/521518837.db2.gz JKNMWVPMTQVKCD-QFIPXVFZSA-N 0 0 431.492 4.555 50 0 IJAARN CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)NC3CCCC3)c2c1 ZINC000032985848 521533393 /nfs/dbraw/zinc/53/33/93/521533393.db2.gz XIGRPCJCOBQJCL-UHFFFAOYSA-N 0 0 432.520 4.825 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445890 521572894 /nfs/dbraw/zinc/57/28/94/521572894.db2.gz VNYVDCVYVAETGH-PMACEKPBSA-N 0 0 441.988 4.844 50 0 IJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012877708 521590281 /nfs/dbraw/zinc/59/02/81/521590281.db2.gz SEAWKEDAGUOXED-PBOGTNMJSA-N 0 0 449.547 4.722 50 0 biogenic IJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037396404 521601702 /nfs/dbraw/zinc/60/17/02/521601702.db2.gz IZRCJTOWCOFSDD-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccc(C)cc1 ZINC000012409618 521620304 /nfs/dbraw/zinc/62/03/04/521620304.db2.gz GSOALRKHVPWDMM-UHFFFAOYSA-N 0 0 440.565 4.917 50 0 IJAARN CCCn1c2nnc(SCc3cccc(Br)c3)n2c2ccsc2c1=O ZINC000035529162 521641855 /nfs/dbraw/zinc/64/18/55/521641855.db2.gz BTJHRFFLAJEXBZ-UHFFFAOYSA-N 0 0 435.372 4.571 50 0 IJAARN CCS(=O)(=O)c1ccc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)cc1 ZINC000022533962 521689424 /nfs/dbraw/zinc/68/94/24/521689424.db2.gz SOTINWKUCGKYDD-UHFFFAOYSA-N 0 0 431.583 4.652 50 0 IJAARN CCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(-c3ccc(Br)cc3)c(=O)c21 ZINC000015841659 521691386 /nfs/dbraw/zinc/69/13/86/521691386.db2.gz BMAILPXNFPSVAO-UHFFFAOYSA-N 0 0 425.326 4.569 50 0 IJAARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785117 521692448 /nfs/dbraw/zinc/69/24/48/521692448.db2.gz KDQPKRGRBQSAQF-OXQOHEQNSA-N 0 0 437.078 4.764 50 0 IJAARN CCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021868913 521701591 /nfs/dbraw/zinc/70/15/91/521701591.db2.gz CMHXDELGVFXISJ-MHZLTWQESA-N 0 0 446.595 4.814 50 0 IJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000035372144 521730467 /nfs/dbraw/zinc/73/04/67/521730467.db2.gz KLCDIYRIZNVABM-UHFFFAOYSA-N 0 0 435.593 4.614 50 0 biogenic IJAARN CCc1cccc(NC(=O)C2CCN(c3cc(C)c4cc(NC(C)=O)ccc4n3)CC2)c1 ZINC000021704195 521748629 /nfs/dbraw/zinc/74/86/29/521748629.db2.gz IKLLTJHORHVPFU-UHFFFAOYSA-N 0 0 430.552 4.919 50 0 IJAARN COCCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385530 521751542 /nfs/dbraw/zinc/75/15/42/521751542.db2.gz VXIFQYXWSGDFJK-UHFFFAOYSA-N 0 0 434.521 4.582 50 0 IJAARN COC(=O)c1cc(-c2ccccc2F)nc2c1c(=O)[nH]c(=S)n2[C@@H](C)c1ccccc1 ZINC000036617299 521795338 /nfs/dbraw/zinc/79/53/38/521795338.db2.gz ZBGRZNLZTBRWOG-ZDUSSCGKSA-N 0 0 435.480 4.656 50 0 IJAARN CCc1cccc2c([C@H](CC(=O)NCc3ccccn3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000035888825 521795853 /nfs/dbraw/zinc/79/58/53/521795853.db2.gz MCIHZBVVXRZDLV-JOCHJYFZSA-N 0 0 443.547 4.981 50 0 IJAARN CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc21 ZINC000020604844 521801606 /nfs/dbraw/zinc/80/16/06/521801606.db2.gz PSZQRLAZHWQSKC-OAHLLOKOSA-N 0 0 443.594 4.674 50 0 IJAARN CNC(=O)c1ccc(CN(Cc2ccco2)c2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000012855509 521810516 /nfs/dbraw/zinc/81/05/16/521810516.db2.gz WQWFXQMVNVGIDG-UHFFFAOYSA-N 0 0 440.425 4.808 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035537677 521851276 /nfs/dbraw/zinc/85/12/76/521851276.db2.gz JKFBUADCDLLIHH-MGPUTAFESA-N 0 0 439.512 4.588 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1nc(C)c2c(C)n(-c3ccc(C)cc3)nc2c1=O ZINC000020563717 521872386 /nfs/dbraw/zinc/87/23/86/521872386.db2.gz HDHMRIDILJGAOO-FQEVSTJZSA-N 0 0 449.942 4.751 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328847 521878775 /nfs/dbraw/zinc/87/87/75/521878775.db2.gz SYCCDZAHVCZQBR-UHFFFAOYSA-N 0 0 429.505 4.831 50 0 IJAARN COc1cc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)C(C)C)no2)cc(OC)c1OC ZINC000036012448 521895536 /nfs/dbraw/zinc/89/55/36/521895536.db2.gz XVSVUBLLKUAJSW-UHFFFAOYSA-N 0 0 442.487 4.691 50 0 IJAARN COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615966 521906355 /nfs/dbraw/zinc/90/63/55/521906355.db2.gz MTBQYNUZRWUJTC-UHFFFAOYSA-N 0 0 439.855 4.850 50 0 IJAARN CCc1ccccc1Nc1nnc(SCC(=O)N(C)Cc2ccc(OC)c(F)c2)s1 ZINC000012607659 521914212 /nfs/dbraw/zinc/91/42/12/521914212.db2.gz APDLHOWGLFEYEW-UHFFFAOYSA-N 0 0 446.573 4.743 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)c(C)o2)cc1 ZINC000012430680 521925967 /nfs/dbraw/zinc/92/59/67/521925967.db2.gz ZLSYQRMEDGRMAJ-NRFANRHFSA-N 0 0 434.471 4.789 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc(OC)c1OC ZINC000035586191 521933432 /nfs/dbraw/zinc/93/34/32/521933432.db2.gz XIXMTKXGLGKRBG-VMPITWQZSA-N 0 0 441.534 4.892 50 0 IJAARN COC(=O)c1ccc(CN(C)Cn2nc(Nc3cccc(C)c3C)sc2=S)cc1 ZINC000012528315 522002996 /nfs/dbraw/zinc/00/29/96/522002996.db2.gz UWIDARSSGFTAAM-UHFFFAOYSA-N 0 0 428.583 4.911 50 0 IJAARN CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000012568052 522041638 /nfs/dbraw/zinc/04/16/38/522041638.db2.gz MFRRTMMMZDOFQG-WNSKOXEYSA-N 0 0 434.565 4.749 50 0 IJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)Cc4ccccc4)CC2)n1)CCCC3 ZINC000035849254 522056849 /nfs/dbraw/zinc/05/68/49/522056849.db2.gz RMHWARHFMKTSRA-SFHVURJKSA-N 0 0 448.636 4.975 50 0 IJAARN COCCn1c(SCC(=O)c2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O ZINC000012787640 522072646 /nfs/dbraw/zinc/07/26/46/522072646.db2.gz WVASNBKLJOLMQU-UHFFFAOYSA-N 0 0 430.595 4.622 50 0 IJAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N[C@H](C)c1ccccc1Cl ZINC000012825214 522074168 /nfs/dbraw/zinc/07/41/68/522074168.db2.gz HISIERWTNKSZQQ-CYBMUJFWSA-N 0 0 438.380 4.959 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)nc2sc(C)c(C)c2c1=O ZINC000012792377 522075716 /nfs/dbraw/zinc/07/57/16/522075716.db2.gz BUZJGAICEQSEHX-INIZCTEOSA-N 0 0 430.595 4.702 50 0 IJAARN COC(=O)c1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020936168 522098327 /nfs/dbraw/zinc/09/83/27/522098327.db2.gz IOMMDYISPNIRQH-QHCPKHFHSA-N 0 0 428.488 4.508 50 0 IJAARN CN(C)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1C(=O)NCCc1ccccc1 ZINC000035706181 522231050 /nfs/dbraw/zinc/23/10/50/522231050.db2.gz KWAPFKHBOLCRHA-UHFFFAOYSA-N 0 0 438.478 4.647 50 0 IJAARN COC(=O)c1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000012800474 522275156 /nfs/dbraw/zinc/27/51/56/522275156.db2.gz FBXANMRNVVWDKE-UHFFFAOYSA-N 0 0 431.311 4.540 50 0 IJAARN COC(=O)c1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12 ZINC000035446761 522276656 /nfs/dbraw/zinc/27/66/56/522276656.db2.gz GYELCVHJSVCNFW-UHFFFAOYSA-N 0 0 430.508 4.521 50 0 biogenic IJAARN COc1cc(CN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C2CC2)ccc1OC(F)F ZINC000022877456 522340710 /nfs/dbraw/zinc/34/07/10/522340710.db2.gz YSCWNTSQFJXGSD-HXUWFJFHSA-N 0 0 447.478 4.659 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035537668 522379560 /nfs/dbraw/zinc/37/95/60/522379560.db2.gz JKFBUADCDLLIHH-QRWLVFNGSA-N 0 0 439.512 4.588 50 0 IJAARN CCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(NC2CCC(NC(=O)CC(C)C)CC2)n1 ZINC000036024892 522468743 /nfs/dbraw/zinc/46/87/43/522468743.db2.gz UCIGIAFWSVGCTG-UHFFFAOYSA-N 0 0 448.615 4.880 50 0 IJAARN COc1cc(CSCc2csc(NC(=O)COc3ccc(C)cc3)n2)cc(OC)c1 ZINC000012287318 522500107 /nfs/dbraw/zinc/50/01/07/522500107.db2.gz HZCWHZRLUHENSK-UHFFFAOYSA-N 0 0 444.578 4.920 50 0 IJAARN COc1cc(Cl)c(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC ZINC000036394154 522528966 /nfs/dbraw/zinc/52/89/66/522528966.db2.gz KDJCNMKKSPFQHL-IXQOCIMPSA-N 0 0 448.991 4.653 50 0 IJAARN COc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000016943728 522666920 /nfs/dbraw/zinc/66/69/20/522666920.db2.gz YQXUXBXXKLGMBN-UHFFFAOYSA-N 0 0 434.901 4.752 50 0 IJAARN COc1cc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc(OC)c1 ZINC000021037433 522698508 /nfs/dbraw/zinc/69/85/08/522698508.db2.gz NRSIOSQQADUSHU-OAQYLSRUSA-N 0 0 430.464 4.665 50 0 IJAARN COCC(=O)N1CCCc2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc21 ZINC000022503008 522738341 /nfs/dbraw/zinc/73/83/41/522738341.db2.gz CMIMLWUKMKPWTA-UHFFFAOYSA-N 0 0 429.520 4.523 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1F ZINC000021935875 522914245 /nfs/dbraw/zinc/91/42/45/522914245.db2.gz NCNOEDRBSONFSS-RBUKOAKNSA-N 0 0 438.528 4.591 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)c(OC)c2c1OCO2 ZINC000035324546 522924430 /nfs/dbraw/zinc/92/44/30/522924430.db2.gz WFWHSFMWTDHPSZ-ZDUSSCGKSA-N 0 0 444.896 4.684 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(C)cc1)N(Cc1ccccc1C)CC2 ZINC000036041046 523037451 /nfs/dbraw/zinc/03/74/51/523037451.db2.gz WZYFQCDKSLSKGZ-RUZDIDTESA-N 0 0 444.575 4.850 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)N(Cc1ccc(C)cc1)CC2 ZINC000036040977 523037675 /nfs/dbraw/zinc/03/76/75/523037675.db2.gz SARAVBBHMHXLCD-RUZDIDTESA-N 0 0 444.575 4.850 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc(C)c1C)CC2 ZINC000012873278 523043957 /nfs/dbraw/zinc/04/39/57/523043957.db2.gz ZGTDHYHAHQTVSW-VWLOTQADSA-N 0 0 436.577 4.968 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036042953 523048371 /nfs/dbraw/zinc/04/83/71/523048371.db2.gz QAEKULLGPXRQHZ-HRFSGMKKSA-N 0 0 444.575 4.930 50 0 IJAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000012874579 523085374 /nfs/dbraw/zinc/08/53/74/523085374.db2.gz NIKSZDVFRSBKAH-OXJNMPFZSA-N 0 0 448.548 4.812 50 0 IJAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)Cc2ccsc2)cc1OC ZINC000022467000 523142263 /nfs/dbraw/zinc/14/22/63/523142263.db2.gz KTELBKWGXIJLDB-UHFFFAOYSA-N 0 0 433.533 4.890 50 0 IJAARN COc1ccc(-c2nc3cc(F)ccc3n2C2CCN(C(=O)C(C)C)CC2)cc1OC ZINC000012246122 523230101 /nfs/dbraw/zinc/23/01/01/523230101.db2.gz ITKFIJSTFYDBMR-UHFFFAOYSA-N 0 0 425.504 4.679 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2nccs2)cc1OC ZINC000033469813 523242302 /nfs/dbraw/zinc/24/23/02/523242302.db2.gz AFUDJTMQELOXDS-LUAWRHEFSA-N 0 0 432.505 4.665 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2cnc3ccccn23)c(F)c1 ZINC000012200369 523244037 /nfs/dbraw/zinc/24/40/37/523244037.db2.gz GTQBASLRTDZFSM-UHFFFAOYSA-N 0 0 441.510 4.967 50 0 IJAARN COCc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccccc1 ZINC000021006121 523247269 /nfs/dbraw/zinc/24/72/69/523247269.db2.gz CWAKUNSRBLZHPT-UHFFFAOYSA-N 0 0 441.413 4.517 50 0 IJAARN CN(Cc1ccc(F)cc1F)C(=O)c1cc(Br)c(Br)s1 ZINC000022895419 523258975 /nfs/dbraw/zinc/25/89/75/523258975.db2.gz DMDHRLHOGPEECU-UHFFFAOYSA-N 0 0 425.092 4.824 50 0 IJAARN COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000020859804 523312697 /nfs/dbraw/zinc/31/26/97/523312697.db2.gz KIPZORGYZFQJLR-UHFFFAOYSA-N 0 0 428.513 4.732 50 0 IJAARN COc1ccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)cc1OC ZINC000017094645 523318589 /nfs/dbraw/zinc/31/85/89/523318589.db2.gz RKYBXAQXOABAHB-UHFFFAOYSA-N 0 0 425.938 4.799 50 0 IJAARN COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)c1 ZINC000021141233 523480617 /nfs/dbraw/zinc/48/06/17/523480617.db2.gz OIZQYMPQOAGEKB-ZDUSSCGKSA-N 0 0 428.282 4.795 50 0 IJAARN CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)CC3CCCC3)C2)cc1 ZINC000012451691 523480858 /nfs/dbraw/zinc/48/08/58/523480858.db2.gz VJVVPVXFEHAXMN-QFIPXVFZSA-N 0 0 425.573 4.504 50 0 IJAARN CCn1cc2nc(SCc3cccc(F)c3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020582067 523489068 /nfs/dbraw/zinc/48/90/68/523489068.db2.gz FWEKVLBWDYYJEG-UHFFFAOYSA-N 0 0 428.920 4.746 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000012137924 523495007 /nfs/dbraw/zinc/49/50/07/523495007.db2.gz VJQWLGBUEOTNRK-AWEZNQCLSA-N 0 0 440.721 4.921 50 0 IJAARN COCCCn1c(=S)n(CN2CCc3sccc3C2)nc1-c1ccc(Cl)cc1 ZINC000012869280 523499666 /nfs/dbraw/zinc/49/96/66/523499666.db2.gz FASNTGODCPQMFG-UHFFFAOYSA-N 0 0 435.018 4.848 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(C)c1 ZINC000012390813 523500337 /nfs/dbraw/zinc/50/03/37/523500337.db2.gz NFNKKVUQGSMDDB-UHFFFAOYSA-N 0 0 440.565 4.535 50 0 IJAARN COc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1OC ZINC000018835756 523602112 /nfs/dbraw/zinc/60/21/12/523602112.db2.gz BUTOHODPIHWVOJ-UHFFFAOYSA-N 0 0 430.298 4.999 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909203 523606478 /nfs/dbraw/zinc/60/64/78/523606478.db2.gz QOEGULQNCOVYCL-FQEVSTJZSA-N 0 0 436.533 4.709 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CC(c3ccccc3F)=NO2)c(OC)c1 ZINC000035835873 523617057 /nfs/dbraw/zinc/61/70/57/523617057.db2.gz DTEJCWZBFVDJAX-HXUWFJFHSA-N 0 0 448.494 4.679 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N(C)Cc3ccc(C)cc3)CC2)c2ccccc12 ZINC000012925756 523621763 /nfs/dbraw/zinc/62/17/63/523621763.db2.gz BKVNXFQCOJLIMB-UHFFFAOYSA-N 0 0 430.548 4.668 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c2ccccc12 ZINC000012729611 523622328 /nfs/dbraw/zinc/62/23/28/523622328.db2.gz SQVQWCIGROJYJU-UHFFFAOYSA-N 0 0 436.939 4.670 50 0 IJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccc3c(c1)OCO3)[C@@H]2c1ccccc1 ZINC000021045735 523717853 /nfs/dbraw/zinc/71/78/53/523717853.db2.gz ZBMFYFRXTPHZRR-RUZDIDTESA-N 0 0 448.588 4.612 50 0 IJAARN CCc1cc(C(=O)Nn2c(=O)c3cc(Cc4ccccc4)sc3[nH]c2=S)cs1 ZINC000017095568 523779590 /nfs/dbraw/zinc/77/95/90/523779590.db2.gz OINYMKGJRSCRFS-UHFFFAOYSA-N 0 0 427.576 4.719 50 0 IJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000015356375 523791831 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COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1O ZINC000012209635 524026512 /nfs/dbraw/zinc/02/65/12/524026512.db2.gz UZKGTIIREKVNHU-NRFANRHFSA-N 0 0 433.508 4.581 50 0 IJAARN CN1c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2OCC(C)(C)C1=O ZINC000022508244 524032457 /nfs/dbraw/zinc/03/24/57/524032457.db2.gz UYVWCBUQWSXBRK-UHFFFAOYSA-N 0 0 429.520 4.979 50 0 IJAARN COc1ccc(CN2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1F ZINC000012463904 524034171 /nfs/dbraw/zinc/03/41/71/524034171.db2.gz LAIFBTAZDZBXKP-UHFFFAOYSA-N 0 0 434.540 4.828 50 0 IJAARN CCc1ccc([C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2cccc(F)c2)cc1 ZINC000012622403 524051881 /nfs/dbraw/zinc/05/18/81/524051881.db2.gz WHAOGNNCWVRECX-VWLOTQADSA-N 0 0 447.510 4.521 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc32)cc1 ZINC000021662811 524065304 /nfs/dbraw/zinc/06/53/04/524065304.db2.gz DCTPIKTVBJOJRE-UHFFFAOYSA-N 0 0 425.488 4.799 50 0 IJAARN COc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)cc1 ZINC000021361975 524065335 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50 0 IJAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000032948761 524139145 /nfs/dbraw/zinc/13/91/45/524139145.db2.gz CGYMDMFZBAMOMU-FQEVSTJZSA-N 0 0 436.483 4.847 50 0 IJAARN Cc1cccc(-n2nc(C(=O)NCc3cccc(C(F)(F)F)c3)nc2-c2ccco2)c1 ZINC000034911524 524145974 /nfs/dbraw/zinc/14/59/74/524145974.db2.gz XFXCVDORSKQTIF-UHFFFAOYSA-N 0 0 426.398 4.785 50 0 IJAARN Cc1cccc(-n2nnnc2SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000021262970 524149024 /nfs/dbraw/zinc/14/90/24/524149024.db2.gz FOZOLQMBHYWYMB-JOCHJYFZSA-N 0 0 449.967 4.622 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCCC[C@@H]4CCN4CCCC4=O)n3)CCCC2)cc1 ZINC000012705338 524227494 /nfs/dbraw/zinc/22/74/94/524227494.db2.gz KHKHWAVSKIKADM-JOCHJYFZSA-N 0 0 436.600 4.605 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398023 524244517 /nfs/dbraw/zinc/24/45/17/524244517.db2.gz UHZCNNLRCAFOEE-KNQAVFIVSA-N 0 0 432.543 4.637 50 0 IJAARN COc1cccc2c1O[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1N=C(c3ccccc3)C[C@@H]21 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COc1ccccc1CC(=O)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000035655345 524385696 /nfs/dbraw/zinc/38/56/96/524385696.db2.gz LVGYSLTXADHQGT-UHFFFAOYSA-N 0 0 437.879 4.532 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021851005 524411950 /nfs/dbraw/zinc/41/19/50/524411950.db2.gz LYIZAEXFDLDSAI-AREMUKBSSA-N 0 0 446.551 4.628 50 0 IJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccccc2C)C2CC2)o1 ZINC000035809336 524414294 /nfs/dbraw/zinc/41/42/94/524414294.db2.gz MCGFMPFIWABOJL-UHFFFAOYSA-N 0 0 430.548 4.773 50 0 IJAARN C[C@H]1CCc2c(sc3nc(CSc4nnc(-c5ccncc5)n4C4CC4)nc(N)c23)C1 ZINC000012533004 524437804 /nfs/dbraw/zinc/43/78/04/524437804.db2.gz PLMYPWPOLNSTLS-LBPRGKRZSA-N 0 0 449.609 4.679 50 0 IJAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4ccc(CCO)cc4)c3)C2=O)cc1 ZINC000035180938 524445951 /nfs/dbraw/zinc/44/59/51/524445951.db2.gz RBHXWHMDRXZJGL-UHFFFAOYSA-N 0 0 443.547 4.614 50 0 IJAARN Cc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3CCc2ccccc2)c1 ZINC000035529398 524465084 /nfs/dbraw/zinc/46/50/84/524465084.db2.gz GEQIAIGEELKPGF-UHFFFAOYSA-N 0 0 432.574 4.949 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000012653505 524469500 /nfs/dbraw/zinc/46/95/00/524469500.db2.gz UKOGYANLABJHFQ-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009663537 524477948 /nfs/dbraw/zinc/47/79/48/524477948.db2.gz DMRPUUWLLHFBAS-HNNXBMFYSA-N 0 0 447.564 4.567 50 0 IJAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)CC2=O)cc1 ZINC000022402162 524479611 /nfs/dbraw/zinc/47/96/11/524479611.db2.gz BTHPDFPQXUYERF-KRWDZBQOSA-N 0 0 430.533 4.587 50 0 IJAARN COc1ccccc1CNC(=O)c1cc2c(s1)-c1c(C)nn(-c3ccccc3)c1CC2 ZINC000021043177 524480938 /nfs/dbraw/zinc/48/09/38/524480938.db2.gz OZJMSIJALQEVQY-UHFFFAOYSA-N 0 0 429.545 4.946 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc1Cl ZINC000012306680 524484609 /nfs/dbraw/zinc/48/46/09/524484609.db2.gz YKLOZKJKIKSJAM-QGZVFWFLSA-N 0 0 440.975 4.866 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c(OC)c1 ZINC000015670827 524513614 /nfs/dbraw/zinc/51/36/14/524513614.db2.gz CTJGSVIQYYXSNK-UHFFFAOYSA-N 0 0 438.509 4.583 50 0 IJAARN Cc1cccc(N2C3=C(C(=O)OC3)[C@@H](c3ccc(OCc4ccccc4)cc3)CC2=O)c1 ZINC000035143103 524535087 /nfs/dbraw/zinc/53/50/87/524535087.db2.gz MQAMOHFPHZXXQF-HSZRJFAPSA-N 0 0 425.484 4.905 50 0 IJAARN COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1OC ZINC000021944609 524542514 /nfs/dbraw/zinc/54/25/14/524542514.db2.gz KBMQWWWGXGJIMF-UHFFFAOYSA-N 0 0 436.487 4.582 50 0 biogenic IJAARN Cc1cccc(N2CCN(C(=O)c3cnc(N4CCCCC4)c4ccccc34)C[C@H]2C)c1 ZINC000033073193 524552819 /nfs/dbraw/zinc/55/28/19/524552819.db2.gz WBLYDUVBKOPTNI-OAQYLSRUSA-N 0 0 428.580 4.884 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2sc(-c3ccccc3Cl)nc2C)CC1 ZINC000012324845 524553574 /nfs/dbraw/zinc/55/35/74/524553574.db2.gz LAKQOGIVJDADJF-UHFFFAOYSA-N 0 0 427.957 4.743 50 0 IJAARN COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000012321741 524560510 /nfs/dbraw/zinc/56/05/10/524560510.db2.gz COYQECUGUBDRKW-SANMLTNESA-N 0 0 441.531 4.791 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccccc2)n1 ZINC000021523648 524574242 /nfs/dbraw/zinc/57/42/42/524574242.db2.gz IASYPELPUFHSBP-QFIPXVFZSA-N 0 0 427.533 4.721 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c(C)c1 ZINC000035598140 524579475 /nfs/dbraw/zinc/57/94/75/524579475.db2.gz HGTMKCUTTHVNFB-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN Cc1cccc(NC(=O)CCC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 ZINC000012717185 524585502 /nfs/dbraw/zinc/58/55/02/524585502.db2.gz HJGXKVJKHLPEAR-UHFFFAOYSA-N 0 0 438.952 4.607 50 0 IJAARN Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(F)cc3)c3ccccc32)c1 ZINC000020532960 524610188 /nfs/dbraw/zinc/61/01/88/524610188.db2.gz FKKZQEQTJVFSFT-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN COc1ccccc1NC(=O)Nc1ccccc1SCc1cc(=O)n2oc(C)cc2n1 ZINC000035429617 524617849 /nfs/dbraw/zinc/61/78/49/524617849.db2.gz AYZCDWRMIWSLSN-UHFFFAOYSA-N 0 0 436.493 4.541 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012508192 524628189 /nfs/dbraw/zinc/62/81/89/524628189.db2.gz WCFDUMKKPMDWJE-UHFFFAOYSA-N 0 0 436.533 4.627 50 0 IJAARN COc1ccc(NC(=O)c2nnc(CSc3nccn3-c3cccc(C)c3)s2)cc1 ZINC000012520292 524659801 /nfs/dbraw/zinc/65/98/01/524659801.db2.gz KGJVBXIWQZIBMK-UHFFFAOYSA-N 0 0 437.550 4.585 50 0 IJAARN COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)C1 ZINC000012162577 524752025 /nfs/dbraw/zinc/75/20/25/524752025.db2.gz IXLLIMGRBARQMH-RDPSFJRHSA-N 0 0 444.579 4.835 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000012674062 524766916 /nfs/dbraw/zinc/76/69/16/524766916.db2.gz ZDBUNZGWYPKKPA-RNXZQOMOSA-N 0 0 441.597 4.770 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000012674058 524767674 /nfs/dbraw/zinc/76/76/74/524767674.db2.gz ZDBUNZGWYPKKPA-NXTQRVMMSA-N 0 0 441.597 4.770 50 0 IJAARN COc1ccc(OC)c(C(=O)COC(=O)c2ccc(SCc3csc(C)n3)cc2)c1 ZINC000022474196 524805098 /nfs/dbraw/zinc/80/50/98/524805098.db2.gz CRRMGXNRAWNYKB-UHFFFAOYSA-N 0 0 443.546 4.801 50 0 IJAARN COc1ccccc1[C@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012051310 524809377 /nfs/dbraw/zinc/80/93/77/524809377.db2.gz OQPXMTZYGLZRLX-XMMPIXPASA-N 0 0 438.531 4.902 50 0 IJAARN COc1ccc(OC)c(CCNC(=O)[C@H](C)n2nc(-c3ccccc3)c3ccccc32)c1 ZINC000020355684 524819788 /nfs/dbraw/zinc/81/97/88/524819788.db2.gz HIMJMCVAHROOPY-SFHVURJKSA-N 0 0 429.520 4.640 50 0 IJAARN COc1ccc(OC)c(Nc2nc3c(cnn3C)c(Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000021873424 524871983 /nfs/dbraw/zinc/87/19/83/524871983.db2.gz DKWQIFYJKLAVQP-UHFFFAOYSA-N 0 0 440.891 4.530 50 0 IJAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1I ZINC000001157622 524875424 /nfs/dbraw/zinc/87/54/24/524875424.db2.gz RRTNKXRMTFHNMC-UHFFFAOYSA-N 0 0 436.076 4.924 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000020353720 524927647 /nfs/dbraw/zinc/92/76/47/524927647.db2.gz HKSROTLDPPOMIJ-HXUWFJFHSA-N 0 0 437.883 4.608 50 0 IJAARN COc1ccc(OCCCC(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1 ZINC000012622975 524944745 /nfs/dbraw/zinc/94/47/45/524944745.db2.gz WJVHTLHUYVKISA-UHFFFAOYSA-N 0 0 440.521 4.739 50 0 IJAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)C[C@H]2C)cc1 ZINC000017098646 524966824 /nfs/dbraw/zinc/96/68/24/524966824.db2.gz QFLHYFAYBGTXKD-CYBMUJFWSA-N 0 0 433.788 4.855 50 0 IJAARN COc1ccc(OCc2ncc(C(=O)N[C@@H](C)c3ccccc3)c(-c3ccncc3)n2)cc1 ZINC000033300951 524976152 /nfs/dbraw/zinc/97/61/52/524976152.db2.gz QFKXFRIBCASCSE-SFHVURJKSA-N 0 0 440.503 4.617 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2coc3c2C(=O)CCC3)C1 ZINC000012372745 524987146 /nfs/dbraw/zinc/98/71/46/524987146.db2.gz CLHBPJOIHQMEAH-INIZCTEOSA-N 0 0 426.488 4.517 50 0 IJAARN C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000012605279 524988807 /nfs/dbraw/zinc/98/88/07/524988807.db2.gz SVIUSLJRXZVIJD-HNNXBMFYSA-N 0 0 446.931 4.700 50 0 IJAARN Cc1cc(F)ccc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000012414535 524989236 /nfs/dbraw/zinc/98/92/36/524989236.db2.gz KAQOHCNAFNARHX-UHFFFAOYSA-N 0 0 439.849 4.942 50 0 IJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000012419114 525010623 /nfs/dbraw/zinc/01/06/23/525010623.db2.gz XOGCSQMPGBBIPW-IYBDPMFKSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000012564112 525020529 /nfs/dbraw/zinc/02/05/29/525020529.db2.gz ZZUDZZWXJRZEIY-QGZVFWFLSA-N 0 0 434.721 4.678 50 0 IJAARN Cc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NCc3ccco3)o2)n1 ZINC000036038929 525025553 /nfs/dbraw/zinc/02/55/53/525025553.db2.gz IDZVNJZTRXKQEF-UHFFFAOYSA-N 0 0 440.569 4.962 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4C)o3)no2)c(C)c1 ZINC000021721627 525040322 /nfs/dbraw/zinc/04/03/22/525040322.db2.gz BMCAULNYDBFFOZ-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1 ZINC000012909192 525043287 /nfs/dbraw/zinc/04/32/87/525043287.db2.gz HBYGXQLNZXYOBM-UHFFFAOYSA-N 0 0 440.503 4.731 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000035768973 525047725 /nfs/dbraw/zinc/04/77/25/525047725.db2.gz ILCWTWUYAYVNQI-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3F)cc2CN(CCc2ccccc2)C1=O ZINC000035883562 525062945 /nfs/dbraw/zinc/06/29/45/525062945.db2.gz VVICFVZKOQCKNC-MRXNPFEDSA-N 0 0 436.458 4.569 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1C ZINC000021643859 525071870 /nfs/dbraw/zinc/07/18/70/525071870.db2.gz GUXQRALWYLIBSU-HXUWFJFHSA-N 0 0 434.565 4.680 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3CCC[C@@H](C)C3)ncn2)c(Br)c1 ZINC000033301342 525077362 /nfs/dbraw/zinc/07/73/62/525077362.db2.gz NXOKIMNFUPWHTC-CQSZACIVSA-N 0 0 435.391 4.515 50 0 IJAARN C[C@@H](NC(=O)CN1c2ccccc2Sc2ncccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000020603470 525111746 /nfs/dbraw/zinc/11/17/46/525111746.db2.gz AIHMDCWBIYSFNA-KRGUIMPISA-N 0 0 447.604 4.914 50 0 IJAARN Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442056 525112578 /nfs/dbraw/zinc/11/25/78/525112578.db2.gz YOQMWSVASCGEAL-UHFFFAOYSA-N 0 0 445.479 4.746 50 0 IJAARN Cc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1Br ZINC000012771500 525130602 /nfs/dbraw/zinc/13/06/02/525130602.db2.gz FASZFBTWRHAQHJ-UHFFFAOYSA-N 0 0 446.370 4.506 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021859559 525134382 /nfs/dbraw/zinc/13/43/82/525134382.db2.gz XSILVSGTDBWOKA-NDEPHWFRSA-N 0 0 437.543 4.681 50 0 IJAARN Cc1cc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)ccc1Br ZINC000012659407 525150802 /nfs/dbraw/zinc/15/08/02/525150802.db2.gz LELSKOWTAKTERB-UHFFFAOYSA-N 0 0 429.314 4.743 50 0 IJAARN COc1ccc([C@@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1OC ZINC000020561052 525169813 /nfs/dbraw/zinc/16/98/13/525169813.db2.gz KTGBGKBKBQRTRT-JOCHJYFZSA-N 0 0 436.552 4.630 50 0 IJAARN Cc1ccccc1COc1ccc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000022241965 525174910 /nfs/dbraw/zinc/17/49/10/525174910.db2.gz XVQUYUVBFUEOLT-XKZIYDEJSA-N 0 0 432.932 4.998 50 0 IJAARN COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)cc1 ZINC000012697841 525197238 /nfs/dbraw/zinc/19/72/38/525197238.db2.gz KLQZOXXBTAZQSK-CYFREDJKSA-N 0 0 434.923 4.607 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021862951 525199201 /nfs/dbraw/zinc/19/92/01/525199201.db2.gz IKTOLBMJBDCARJ-AREMUKBSSA-N 0 0 431.536 4.612 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000021808285 525199968 /nfs/dbraw/zinc/19/99/68/525199968.db2.gz HUIAINPKCIPTGF-RUZDIDTESA-N 0 0 435.593 4.609 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccco1 ZINC000021864261 525200808 /nfs/dbraw/zinc/20/08/08/525200808.db2.gz IVUGJCGISQEFJZ-RUZDIDTESA-N 0 0 435.524 4.595 50 0 IJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccccc2F)n1 ZINC000033325027 525241286 /nfs/dbraw/zinc/24/12/86/525241286.db2.gz FMQIZNTUUHAYOM-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000022973135 525247720 /nfs/dbraw/zinc/24/77/20/525247720.db2.gz CCBFUEBAWOKBSE-UHFFFAOYSA-N 0 0 443.912 4.640 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2C)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017135868 525252204 /nfs/dbraw/zinc/25/22/04/525252204.db2.gz FRXBCMXCIABICR-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)ccc1N1CCCC1=O ZINC000012781462 525253576 /nfs/dbraw/zinc/25/35/76/525253576.db2.gz GJPZLGREFISFTR-UHFFFAOYSA-N 0 0 440.503 4.601 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000033142026 525325756 /nfs/dbraw/zinc/32/57/56/525325756.db2.gz HNMCHZVKAJQBBU-OAQYLSRUSA-N 0 0 444.579 4.931 50 0 IJAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccc(-n2ccnc2)cc1 ZINC000012589776 525335678 /nfs/dbraw/zinc/33/56/78/525335678.db2.gz JHKJFGSTHGZPJD-IQGLISFBSA-N 0 0 437.499 4.818 50 0 IJAARN Cc1cc(OCc2nc(CC(=O)Nc3nnc(CC(C)C)s3)cs2)ccc1Cl ZINC000033011743 525375596 /nfs/dbraw/zinc/37/55/96/525375596.db2.gz SVQYTBLAEPQUQQ-UHFFFAOYSA-N 0 0 436.990 4.915 50 0 IJAARN COc1ccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000022609420 525380645 /nfs/dbraw/zinc/38/06/45/525380645.db2.gz DEZMOXDFNQNIBK-OAQYLSRUSA-N 0 0 434.565 4.549 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c(C)cc1Cl ZINC000020554861 525423194 /nfs/dbraw/zinc/42/31/94/525423194.db2.gz ATJICCWRSYZJSK-UHFFFAOYSA-N 0 0 442.972 4.815 50 0 IJAARN Cc1[nH]c2ccc(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4F)c3)cc2c1C ZINC000012583694 525425499 /nfs/dbraw/zinc/42/54/99/525425499.db2.gz RGUUYXDJISKDJI-UHFFFAOYSA-N 0 0 437.496 4.977 50 0 IJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000012273721 525432798 /nfs/dbraw/zinc/43/27/98/525432798.db2.gz LUAVTRBXZMSOJP-QFQXNSOFSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000012292605 525459510 /nfs/dbraw/zinc/45/95/10/525459510.db2.gz QDUHCOHSFYVOAO-IBGZPJMESA-N 0 0 438.549 4.819 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3ccc(F)cc3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813148 525508103 /nfs/dbraw/zinc/50/81/03/525508103.db2.gz JTVRSIZSMNIQDM-QGZVFWFLSA-N 0 0 445.494 4.865 50 0 IJAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccccc1OC ZINC000012926318 525508615 /nfs/dbraw/zinc/50/86/15/525508615.db2.gz JLDHSXXFBOVBQH-RCCKNPSSSA-N 0 0 428.488 4.961 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000009891789 525508823 /nfs/dbraw/zinc/50/88/23/525508823.db2.gz TXVMSLHGYXPSKL-UHFFFAOYSA-N 0 0 430.529 4.982 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(Cc4ccsc4)CC3)c2oc1-c1ccccc1 ZINC000024113361 525522468 /nfs/dbraw/zinc/52/24/68/525522468.db2.gz ZAZGCOFNNNMKSK-UHFFFAOYSA-N 0 0 444.556 4.788 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c2oc1-c1ccccc1 ZINC000012787241 525524382 /nfs/dbraw/zinc/52/43/82/525524382.db2.gz AEDVPVVPEUBYSA-QFIPXVFZSA-N 0 0 438.527 4.773 50 0 IJAARN Cc1c(C(=O)N(C)Cc2cscn2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000012332060 525558860 /nfs/dbraw/zinc/55/88/60/525558860.db2.gz PDSJSFWMDNODCD-LBPRGKRZSA-N 0 0 429.596 4.963 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccc(C)c(C)c4)c3)nc2c1 ZINC000021100162 525606431 /nfs/dbraw/zinc/60/64/31/525606431.db2.gz ANLXNHMYRYLZBH-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2cccc(F)c2)C3=O)o1 ZINC000021810834 525618658 /nfs/dbraw/zinc/61/86/58/525618658.db2.gz QTHWPALRUIAGOK-VWLOTQADSA-N 0 0 437.515 4.545 50 0 IJAARN Cc1cc2nc(COc3cc(C)ccc3NC(=O)c3cccc4ccccc43)cc(=O)n2o1 ZINC000035378681 525672758 /nfs/dbraw/zinc/67/27/58/525672758.db2.gz UZEIGRNUJDPSRT-UHFFFAOYSA-N 0 0 439.471 4.889 50 0 IJAARN COc1ccc2nc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)sc2c1 ZINC000016695613 525673391 /nfs/dbraw/zinc/67/33/91/525673391.db2.gz VUHRGQUTQMQAJP-UHFFFAOYSA-N 0 0 445.544 4.949 50 0 IJAARN C[C@@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016694627 525701499 /nfs/dbraw/zinc/70/14/99/525701499.db2.gz GJOIGDSHXPASSV-OAHLLOKOSA-N 0 0 431.517 4.809 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CN(C)CC4)c3cnn(C(C)C)c3n2)cc1 ZINC000022086396 525728466 /nfs/dbraw/zinc/72/84/66/525728466.db2.gz OFRXUDYAZIBFAW-UHFFFAOYSA-N 0 0 446.580 4.684 50 0 IJAARN COc1cccc(-n2ccnc2SCc2nnc(-c3ccc(Br)o3)o2)c1 ZINC000022133830 525753562 /nfs/dbraw/zinc/75/35/62/525753562.db2.gz GVLPRARLLSHZOZ-UHFFFAOYSA-N 0 0 433.287 4.579 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000021548914 525766661 /nfs/dbraw/zinc/76/66/61/525766661.db2.gz XOLHZBHJWPZGSI-UHFFFAOYSA-N 0 0 437.750 4.927 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc4c5ccccc5[nH]c4n3)n2)cc1 ZINC000018219308 525781182 /nfs/dbraw/zinc/78/11/82/525781182.db2.gz XIASTMCOTMHKAU-UHFFFAOYSA-N 0 0 432.534 4.669 50 0 IJAARN COc1cccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)c1 ZINC000015991018 525789178 /nfs/dbraw/zinc/78/91/78/525789178.db2.gz IPTOIANOGLSERS-UHFFFAOYSA-N 0 0 432.398 4.588 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccc(Cl)c1 ZINC000021810462 525792835 /nfs/dbraw/zinc/79/28/35/525792835.db2.gz VOBDIQMIFXGKEA-DEOSSOPVSA-N 0 0 439.943 4.751 50 0 IJAARN Cc1ccsc1C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2nnc(C)s2)c1 ZINC000012707196 525819267 /nfs/dbraw/zinc/81/92/67/525819267.db2.gz GTTWTWXTZWRZLG-KRWDZBQOSA-N 0 0 426.567 4.517 50 0 IJAARN Cc1ccc(-c2nc3cccnc3n2CCCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000021155335 525826467 /nfs/dbraw/zinc/82/64/67/525826467.db2.gz FYDSQLKFKQGNMM-UHFFFAOYSA-N 0 0 448.592 4.701 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Oc3nc4ccccc4n4c(C)nnc34)cc2)c1 ZINC000035460917 525833245 /nfs/dbraw/zinc/83/32/45/525833245.db2.gz QIZMCHFINWGQPW-UHFFFAOYSA-N 0 0 425.448 4.639 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)n2)cc1 ZINC000035502348 525833655 /nfs/dbraw/zinc/83/36/55/525833655.db2.gz SMIPJJNRELDIIG-DEOSSOPVSA-N 0 0 426.564 4.862 50 0 IJAARN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)c1 ZINC000012628533 525856993 /nfs/dbraw/zinc/85/69/93/525856993.db2.gz QXHFMWZPUONQPT-ZHZULCJRSA-N 0 0 433.847 4.912 50 0 IJAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Cl)cc3)CN1C(=O)CN(C1CCCC1)C2=O ZINC000012875445 525917297 /nfs/dbraw/zinc/91/72/97/525917297.db2.gz HFZZLODLOFFUOT-IBVKSMDESA-N 0 0 447.966 4.795 50 0 biogenic IJAARN Cc1ccc(-n2cnnc2SCC(=O)N(Cc2ccco2)Cc2ccccc2)c(C)c1 ZINC000012554880 525920287 /nfs/dbraw/zinc/92/02/87/525920287.db2.gz HNMGLPWIQILISF-UHFFFAOYSA-N 0 0 432.549 4.798 50 0 IJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccc(F)cc3)cc2=O)s1 ZINC000021535920 525942045 /nfs/dbraw/zinc/94/20/45/525942045.db2.gz FXNGONNUFUCMPI-UHFFFAOYSA-N 0 0 425.510 4.748 50 0 IJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC2(C[C@H]2C(=O)NCc2cccs2)CC1 ZINC000012157082 525950752 /nfs/dbraw/zinc/95/07/52/525950752.db2.gz YKOUIRDEIBDVGD-SFHVURJKSA-N 0 0 441.984 4.750 50 0 IJAARN C[C@@H](SC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021937551 525967981 /nfs/dbraw/zinc/96/79/81/525967981.db2.gz WEVNMHQDPIUHSZ-IIBYNOLFSA-N 0 0 440.528 4.778 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)c2ccco2)cc1 ZINC000035949281 525986788 /nfs/dbraw/zinc/98/67/88/525986788.db2.gz UMOQEZKXTRGKDC-HSZRJFAPSA-N 0 0 429.520 4.655 50 0 IJAARN CSc1ccc(CN(C)C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC000021636092 525988384 /nfs/dbraw/zinc/98/83/84/525988384.db2.gz GUVRIHRGUOHWFN-UHFFFAOYSA-N 0 0 447.482 4.554 50 0 IJAARN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012536240 526085534 /nfs/dbraw/zinc/08/55/34/526085534.db2.gz SYPUITBWPKCPTL-HNNXBMFYSA-N 0 0 430.476 4.599 50 0 IJAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4cccc(C)c4)s3)c2C)c1 ZINC000033273859 526086115 /nfs/dbraw/zinc/08/61/15/526086115.db2.gz MAUZQAIIESCSBB-UHFFFAOYSA-N 0 0 449.605 4.968 50 0 IJAARN COc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)c1 ZINC000035400342 526108041 /nfs/dbraw/zinc/10/80/41/526108041.db2.gz WHISMJBEVOVUGL-UHFFFAOYSA-N 0 0 431.442 4.735 50 0 IJAARN C[C@H](c1ccccc1)n1c(SCC(=O)N(C)Cc2ccsc2)nc2ccccc2c1=O ZINC000018550965 526109190 /nfs/dbraw/zinc/10/91/90/526109190.db2.gz MOMCLTQPSRWPJN-QGZVFWFLSA-N 0 0 449.601 4.818 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(C)c4)c3c2=O)c1 ZINC000035400444 526109281 /nfs/dbraw/zinc/10/92/81/526109281.db2.gz SHSSLLDEMFHQCE-UHFFFAOYSA-N 0 0 427.479 4.904 50 0 IJAARN Cc1ccc2c(CC(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccccn3)cc(=O)oc2c1 ZINC000012307816 526121814 /nfs/dbraw/zinc/12/18/14/526121814.db2.gz KMSZDGUKUUAADS-NDEPHWFRSA-N 0 0 449.510 4.695 50 0 IJAARN Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)NCCc3c[nH]c4ccccc34)cc12 ZINC000012296380 526148447 /nfs/dbraw/zinc/14/84/47/526148447.db2.gz PIRGTIQAZVTIKZ-UHFFFAOYSA-N 0 0 432.520 4.661 50 0 biogenic IJAARN CSc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000012447746 526167338 /nfs/dbraw/zinc/16/73/38/526167338.db2.gz NPJSJMKFSSRSAK-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)c1cccn1-2 ZINC000035399284 526171612 /nfs/dbraw/zinc/17/16/12/526171612.db2.gz DQZFHGAUAVYABR-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccccc2)c1 ZINC000012566663 526197190 /nfs/dbraw/zinc/19/71/90/526197190.db2.gz RTVXUHCKSYHPKY-SFHVURJKSA-N 0 0 430.254 4.588 50 0 IJAARN COc1cccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 ZINC000012797428 526198507 /nfs/dbraw/zinc/19/85/07/526198507.db2.gz ZLIVYZQSKGSCOM-HNNXBMFYSA-N 0 0 429.538 4.587 50 0 IJAARN COc1cccc(OC)c1-c1cc2c(c(OC)c1)OCCN(C(=O)c1ccccc1F)C2 ZINC000012245952 526212920 /nfs/dbraw/zinc/21/29/20/526212920.db2.gz MFLWMWVEBBKFRD-UHFFFAOYSA-N 0 0 437.467 4.553 50 0 IJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCc3ccc(F)cc3)c2)C(=O)N1 ZINC000020854865 526213586 /nfs/dbraw/zinc/21/35/86/526213586.db2.gz MRPZGOPTDNMBIR-ATIYNZHBSA-N 0 0 445.494 4.834 50 0 IJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccncc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000035535088 526216191 /nfs/dbraw/zinc/21/61/91/526216191.db2.gz DNHNMDGWIAIIEZ-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2)cc1 ZINC000021706309 526219271 /nfs/dbraw/zinc/21/92/71/526219271.db2.gz RVBDTOUPJMZZDQ-JOCHJYFZSA-N 0 0 447.579 4.548 50 0 IJAARN Cc1nn2c(ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C)c1-c1ccccc1 ZINC000021914576 526313017 /nfs/dbraw/zinc/31/30/17/526313017.db2.gz ZKPFJGKPDCQVCF-UHFFFAOYSA-N 0 0 445.954 4.629 50 0 IJAARN Cc1nn2c(nccc2C(F)(F)F)c1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000012794593 526314259 /nfs/dbraw/zinc/31/42/59/526314259.db2.gz SVZYQSISOVZBEZ-VAWYXSNFSA-N 0 0 447.420 4.926 50 0 IJAARN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012324517 526315598 /nfs/dbraw/zinc/31/55/98/526315598.db2.gz JJNHNLJSAXXPCJ-IBGZPJMESA-N 0 0 448.748 4.532 50 0 IJAARN Fc1ccc(-c2noc3ncnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c23)cc1 ZINC000020574455 526319496 /nfs/dbraw/zinc/31/94/96/526319496.db2.gz IQYFRGGYSSYJNH-UHFFFAOYSA-N 0 0 443.404 4.769 50 0 IJAARN O=c1[nH]c(CN2CCCCCCC2)nc2c(Br)cc(Br)cc12 ZINC000021763228 526377142 /nfs/dbraw/zinc/37/71/42/526377142.db2.gz VOTKGNKTPPHPJO-UHFFFAOYSA-N 0 0 429.156 4.627 50 0 IJAARN O=C(OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2)c1ccncc1 ZINC000012679356 526424419 /nfs/dbraw/zinc/42/44/19/526424419.db2.gz OZQYOJPMZMYOGE-NRFANRHFSA-N 0 0 426.266 4.809 50 0 IJAARN O=C(CCCN1C(=O)COc2ccccc21)NCCC(c1ccccc1)c1ccccc1 ZINC000035829577 526431205 /nfs/dbraw/zinc/43/12/05/526431205.db2.gz CYNSDMYVRWCQIH-UHFFFAOYSA-N 0 0 428.532 4.531 50 0 IJAARN O=C(NCCc1ccccn1)C1CCN(c2nc3ccccc3n2C2CCCCC2)CC1 ZINC000034906575 526431768 /nfs/dbraw/zinc/43/17/68/526431768.db2.gz UHNFJFCBAIYYJW-UHFFFAOYSA-N 0 0 431.584 4.512 50 0 IJAARN O=C(Oc1cc2sc(=O)oc2c2ccccc12)c1ccccc1I ZINC000012366874 526437270 /nfs/dbraw/zinc/43/72/70/526437270.db2.gz ARKYARDQULZMNI-UHFFFAOYSA-N 0 0 448.237 4.832 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000022088633 526521879 /nfs/dbraw/zinc/52/18/79/526521879.db2.gz ZIRKRTSDTDCJAN-UHFFFAOYSA-N 0 0 442.519 4.726 50 0 IJAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000033086774 526567464 /nfs/dbraw/zinc/56/74/64/526567464.db2.gz IKKIPRLPJSQILC-HNNXBMFYSA-N 0 0 445.401 4.590 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000022913338 526581555 /nfs/dbraw/zinc/58/15/55/526581555.db2.gz UCGRXRYZBQJUJN-RRPNLBNLSA-N 0 0 439.559 4.755 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034712899 526602183 /nfs/dbraw/zinc/60/21/83/526602183.db2.gz VCJGQYBSBZUJJO-QGZVFWFLSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(CCc1nc(CSc2nnc(-c3ccco3)o2)no1)Nc1cccc2ccccc21 ZINC000021721697 526651298 /nfs/dbraw/zinc/65/12/98/526651298.db2.gz SILHEPJMXGDQFR-UHFFFAOYSA-N 0 0 447.476 4.729 50 0 IJAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000012454357 526664233 /nfs/dbraw/zinc/66/42/33/526664233.db2.gz OQPHQVNZPKDOFS-UHFFFAOYSA-N 0 0 430.483 4.529 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000012781006 526664658 /nfs/dbraw/zinc/66/46/58/526664658.db2.gz QZISEOJMSRFHLI-UHFFFAOYSA-N 0 0 431.483 4.787 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000021415470 526685768 /nfs/dbraw/zinc/68/57/68/526685768.db2.gz XEGVJBXTKXMPCL-UHFFFAOYSA-N 0 0 432.530 4.764 50 0 IJAARN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000022274570 526702740 /nfs/dbraw/zinc/70/27/40/526702740.db2.gz REPWZYTVFCDXTA-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012592083 526706030 /nfs/dbraw/zinc/70/60/30/526706030.db2.gz QKBAEOGOLRBNJG-XMMPIXPASA-N 0 0 436.527 4.583 50 0 IJAARN Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000035887966 526728985 /nfs/dbraw/zinc/72/89/85/526728985.db2.gz VZOWWCLIJXPTOL-UHFFFAOYSA-N 0 0 441.019 4.957 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccccc1 ZINC000012462870 526734496 /nfs/dbraw/zinc/73/44/96/526734496.db2.gz TTWSEPJFBBCEEL-UHFFFAOYSA-N 0 0 429.505 4.673 50 0 biogenic,in-vitro IJAARN O=C(NCc1ccccc1F)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000000720062 526752970 /nfs/dbraw/zinc/75/29/70/526752970.db2.gz AFFJMKFJTLRZLN-UHFFFAOYSA-N 0 0 436.846 4.815 50 0 IJAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000012823877 526793293 /nfs/dbraw/zinc/79/32/93/526793293.db2.gz MFCNQKNYGMHNQJ-UHFFFAOYSA-N 0 0 427.382 4.773 50 0 IJAARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374639 526796851 /nfs/dbraw/zinc/79/68/51/526796851.db2.gz QNWDUSMUDZYWSX-QTZVNIFKSA-N 0 0 426.541 4.505 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)o1 ZINC000009789077 526797641 /nfs/dbraw/zinc/79/76/41/526797641.db2.gz ZOHAEXQNMDDCSN-LJQANCHMSA-N 0 0 433.489 4.897 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000021533733 526799701 /nfs/dbraw/zinc/79/97/01/526799701.db2.gz PFDSOZIMUNQBMB-HXUWFJFHSA-N 0 0 429.476 4.818 50 0 IJAARN O=C(c1ccccc1COc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023968298 526801424 /nfs/dbraw/zinc/80/14/24/526801424.db2.gz DJZUOVYEOJITQS-UHFFFAOYSA-N 0 0 443.572 4.833 50 0 IJAARN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000012463818 526807898 /nfs/dbraw/zinc/80/78/98/526807898.db2.gz NXIFMGSIPXSHTN-UHFFFAOYSA-N 0 0 426.451 4.809 50 0 IJAARN O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023982491 526822376 /nfs/dbraw/zinc/82/23/76/526822376.db2.gz KSTHWFRVHSAOGL-UHFFFAOYSA-N 0 0 446.601 4.801 50 0 IJAARN O=C(c1ccco1)N(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1)C1CCCC1 ZINC000034691982 526826278 /nfs/dbraw/zinc/82/62/78/526826278.db2.gz YCKBRJPUPNXGOB-HXUWFJFHSA-N 0 0 436.474 4.584 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000020954694 526844781 /nfs/dbraw/zinc/84/47/81/526844781.db2.gz LLWOEVGRWFUAOJ-SFHVURJKSA-N 0 0 436.537 4.943 50 0 IJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012813806 526854996 /nfs/dbraw/zinc/85/49/96/526854996.db2.gz NCIQNGPGQTXDIV-INIZCTEOSA-N 0 0 434.348 4.697 50 0 IJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000035554908 526864974 /nfs/dbraw/zinc/86/49/74/526864974.db2.gz XVTUFNNWAHQIHZ-ZDUSSCGKSA-N 0 0 442.928 4.629 50 0 IJAARN Cc1sc(NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(C(N)=O)c1C ZINC000012137665 526882807 /nfs/dbraw/zinc/88/28/07/526882807.db2.gz PMGRVHAQRMZXJQ-UHFFFAOYSA-N 0 0 439.375 4.904 50 0 IJAARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)nc1-c1ccc(F)c(F)c1 ZINC000012825251 526883633 /nfs/dbraw/zinc/88/36/33/526883633.db2.gz CDBLLAJLZOLLTK-SFHVURJKSA-N 0 0 443.475 4.767 50 0 IJAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012791387 526890307 /nfs/dbraw/zinc/89/03/07/526890307.db2.gz DLQFRJVEWVHZKT-DEOSSOPVSA-N 0 0 445.544 4.589 50 0 IJAARN Cc1sc2nc(Cc3ccccc3)nc(N3CCN(C(=O)C4CCCC4)CC3)c2c1C ZINC000035866846 526894673 /nfs/dbraw/zinc/89/46/73/526894673.db2.gz JTWZLBVXCYCGBI-UHFFFAOYSA-N 0 0 434.609 4.738 50 0 IJAARN Cc1sc2nc([C@@H](C)SCCC(=O)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C ZINC000040067143 526896248 /nfs/dbraw/zinc/89/62/48/526896248.db2.gz SVUFFWHVHGCVBZ-CQSZACIVSA-N 0 0 427.595 4.913 50 0 IJAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCCc1ccc(Cl)cc1Cl ZINC000012529274 526906031 /nfs/dbraw/zinc/90/60/31/526906031.db2.gz AJBFZDMVXKDDNC-UHFFFAOYSA-N 0 0 438.326 4.846 50 0 IJAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000012430992 526909537 /nfs/dbraw/zinc/90/95/37/526909537.db2.gz BHXQECRFBGIOTF-QGZVFWFLSA-N 0 0 427.533 4.959 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1)N1CCCC1 ZINC000020788931 526911341 /nfs/dbraw/zinc/91/13/41/526911341.db2.gz UAMALTPWXWNRFZ-BMRADRMJSA-N 0 0 432.545 4.952 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1)NCc1ccco1 ZINC000021577188 526911692 /nfs/dbraw/zinc/91/16/92/526911692.db2.gz FNFQFAZNINPSOO-SAPNQHFASA-N 0 0 442.471 4.771 50 0 IJAARN O=C(COC(=O)c1ccc(COc2ccc3ccccc3c2)o1)NCCc1ccc(F)cc1 ZINC000012588630 526912567 /nfs/dbraw/zinc/91/25/67/526912567.db2.gz RRXXIGYRZNLOEF-UHFFFAOYSA-N 0 0 447.462 4.667 50 0 IJAARN Cc1nc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)sc1-c1ccccn1 ZINC000023499865 526988491 /nfs/dbraw/zinc/98/84/91/526988491.db2.gz CIVBPAQYMBQIJZ-GOSISDBHSA-N 0 0 448.573 4.555 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(N(C)C)n1 ZINC000021794082 527002976 /nfs/dbraw/zinc/00/29/76/527002976.db2.gz SPBGITRLXVYCDB-UHFFFAOYSA-N 0 0 426.318 4.609 50 0 IJAARN O=C(COc1nncc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012592574 527004264 /nfs/dbraw/zinc/00/42/64/527004264.db2.gz IPLDHPRSJIQIMQ-FQEVSTJZSA-N 0 0 432.867 4.633 50 0 IJAARN O=C1CS[C@@H](c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)N1c1ccc(F)cc1 ZINC000035910278 527017271 /nfs/dbraw/zinc/01/72/71/527017271.db2.gz QUEOKEMFJUWGLN-NRFANRHFSA-N 0 0 446.500 4.544 50 0 IJAARN O=C1C[C@@H](c2cccc(Br)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725725 527023517 /nfs/dbraw/zinc/02/35/17/527023517.db2.gz UURRCPNQFUWWLD-ZDUSSCGKSA-N 0 0 425.311 4.719 50 0 IJAARN O=C1C[C@H](N2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018220189 527027987 /nfs/dbraw/zinc/02/79/87/527027987.db2.gz CMRPYUAFIZDBOK-NRFANRHFSA-N 0 0 432.898 4.595 50 0 IJAARN Cn1c(C(=O)N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)cc2oc3ccccc3c21 ZINC000020386360 527041057 /nfs/dbraw/zinc/04/10/57/527041057.db2.gz YUEMNFDCKBYBEO-UHFFFAOYSA-N 0 0 449.938 4.747 50 0 IJAARN Cn1c(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)nc2ccccc21 ZINC000012307182 527054061 /nfs/dbraw/zinc/05/40/61/527054061.db2.gz UUVPUUOUUMAFBF-NRFANRHFSA-N 0 0 438.575 4.882 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccccc1N1CCCC1 ZINC000012595184 527078674 /nfs/dbraw/zinc/07/86/74/527078674.db2.gz HYTYNAVECFGIMN-UHFFFAOYSA-N 0 0 437.544 4.750 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000020942258 527095041 /nfs/dbraw/zinc/09/50/41/527095041.db2.gz XCHHVXPXBLLTCF-UHFFFAOYSA-N 0 0 431.536 4.520 50 0 IJAARN O=C(Nc1cc(C(=O)NCc2cccc(F)c2)ccc1N1CCCC1)NC1CCCCC1 ZINC000021050206 527102502 /nfs/dbraw/zinc/10/25/02/527102502.db2.gz RSRUFXDIZYCRBA-UHFFFAOYSA-N 0 0 438.547 4.810 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000021336865 527139006 /nfs/dbraw/zinc/13/90/06/527139006.db2.gz XXBXDLLVJPYBJY-OAHLLOKOSA-N 0 0 436.924 4.708 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2ccccc2c1 ZINC000012360496 527146854 /nfs/dbraw/zinc/14/68/54/527146854.db2.gz QAPVEXZYJZHMQK-MHZLTWQESA-N 0 0 425.459 4.986 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCCc1ccc(C(F)(F)F)cc1 ZINC000021556698 527148662 /nfs/dbraw/zinc/14/86/62/527148662.db2.gz BQTCSKMUKVRHDW-QFIPXVFZSA-N 0 0 440.465 4.926 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012195135 527164779 /nfs/dbraw/zinc/16/47/79/527164779.db2.gz DBNRYTPLMPALOD-UHFFFAOYSA-N 0 0 432.851 4.541 50 0 IJAARN O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767577 527193766 /nfs/dbraw/zinc/19/37/66/527193766.db2.gz DEFZDPKWRHYCMN-QFIPXVFZSA-N 0 0 447.025 4.621 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000033128489 527200743 /nfs/dbraw/zinc/20/07/43/527200743.db2.gz KSWHBUCOQALUER-UHFFFAOYSA-N 0 0 445.494 4.560 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012772905 527223948 /nfs/dbraw/zinc/22/39/48/527223948.db2.gz OIYOVNSLNBSMND-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000035598367 527229871 /nfs/dbraw/zinc/22/98/71/527229871.db2.gz VMYAXUCSYULMHG-UHFFFAOYSA-N 0 0 439.515 4.903 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000021877086 527240152 /nfs/dbraw/zinc/24/01/52/527240152.db2.gz ZWJUWKCLVGRBLE-UHFFFAOYSA-N 0 0 436.411 4.638 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Br)c(Br)s1 ZINC000012921872 527284742 /nfs/dbraw/zinc/28/47/42/527284742.db2.gz TVMCYEHNRHLCFV-UHFFFAOYSA-N 0 0 433.121 4.687 50 0 IJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1OC(F)(F)F ZINC000012558644 527337579 /nfs/dbraw/zinc/33/75/79/527337579.db2.gz UJYMESGPCYDCIT-UHFFFAOYSA-N 0 0 431.439 4.820 50 0 IJAARN O=C(Cn1c2ccccc2nc1SCc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000012520441 527361703 /nfs/dbraw/zinc/36/17/03/527361703.db2.gz KBXZBQLAPLOZGX-HXUWFJFHSA-N 0 0 429.545 4.969 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21)Nc1ccccc1F ZINC000020532946 527370064 /nfs/dbraw/zinc/37/00/64/527370064.db2.gz CATWGHDSSZKPCB-UHFFFAOYSA-N 0 0 440.471 4.532 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CN(c2nccs2)S(=O)(=O)c2ccccc2)cc1 ZINC000012769088 527399307 /nfs/dbraw/zinc/39/93/07/527399307.db2.gz NQHZMNJOWFOVMK-UHFFFAOYSA-N 0 0 449.557 4.791 50 0 IJAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000014596054 527403473 /nfs/dbraw/zinc/40/34/73/527403473.db2.gz ADJODKYKVSQXNL-UHFFFAOYSA-N 0 0 438.512 4.826 50 0 IJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCCc1ccccc1)nc2-c1ccc(F)cc1 ZINC000035930089 527436412 /nfs/dbraw/zinc/43/64/12/527436412.db2.gz QZACWLBLAWGKRV-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN Nc1c2c(nn1-c1ccccc1)nc(N1CCc3ccccc3C1)nc2-c1ccc(F)cc1 ZINC000035929850 527437827 /nfs/dbraw/zinc/43/78/27/527437827.db2.gz UZASAEGJTLLTHT-UHFFFAOYSA-N 0 0 436.494 4.767 50 0 IJAARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(-n2ccnc2)c(F)c1 ZINC000012627260 527462817 /nfs/dbraw/zinc/46/28/17/527462817.db2.gz YRROFQBRFHGOSI-NTEUORMPSA-N 0 0 426.373 4.684 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000011956610 527510977 /nfs/dbraw/zinc/51/09/77/527510977.db2.gz FSHQAOQFWXGSPO-KRWDZBQOSA-N 0 0 430.976 4.739 50 0 IJAARN Cn1nc(C(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020616659 527548272 /nfs/dbraw/zinc/54/82/72/527548272.db2.gz UTHRZNFUCXXDPL-UHFFFAOYSA-N 0 0 425.222 4.510 50 0 IJAARN Cc1nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c(C)c1Cc1ccc(C)cc1 ZINC000014609326 527569553 /nfs/dbraw/zinc/56/95/53/527569553.db2.gz GAIVAZIYUUXMEY-UHFFFAOYSA-N 0 0 430.577 4.704 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)SCC(=O)N2 ZINC000020744806 527573288 /nfs/dbraw/zinc/57/32/88/527573288.db2.gz CEFMYJIIKGAGCX-QFIPXVFZSA-N 0 0 443.532 4.974 50 0 IJAARN O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1nc(-c2ccccc2)c(-c2ncc[nH]2)s1 ZINC000012507184 527619420 /nfs/dbraw/zinc/61/94/20/527619420.db2.gz ZHLRINIKWDOMAD-VQHVLOKHSA-N 0 0 430.489 4.623 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N1CCC(n2c3ncccc3nc2[C@H]2CCCO2)CC1 ZINC000012217545 527634911 /nfs/dbraw/zinc/63/49/11/527634911.db2.gz UBNNWHLVOPXJIX-LCCNJJIFSA-N 0 0 436.943 4.813 50 0 IJAARN FC(F)(F)c1cccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC000012864217 527685173 /nfs/dbraw/zinc/68/51/73/527685173.db2.gz UOJHSVGRBWGEQI-UHFFFAOYSA-N 0 0 448.514 4.643 50 0 IJAARN CCCCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708852 535093548 /nfs/dbraw/zinc/09/35/48/535093548.db2.gz SQWDADXADDPBPB-UHFFFAOYSA-N 0 0 434.544 4.547 50 0 IJAARN CCCN(C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)c1ccccc1C ZINC000009211312 535197569 /nfs/dbraw/zinc/19/75/69/535197569.db2.gz SVLPKVZPROTKMC-UHFFFAOYSA-N 0 0 446.599 4.521 50 0 IJAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N1CCN(c2ccc(F)cc2)CC1 ZINC000013828547 535713401 /nfs/dbraw/zinc/71/34/01/535713401.db2.gz NHRKZLXSBKJFKS-UHFFFAOYSA-N 0 0 447.432 4.896 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4onc(-c5ccc(F)cc5)c43)C2)c1 ZINC000008596312 535901920 /nfs/dbraw/zinc/90/19/20/535901920.db2.gz PWFIZLVGIMHGCQ-SFHVURJKSA-N 0 0 445.498 4.841 50 0 IJAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCc3cccnc3)cc21 ZINC000013574335 536305826 /nfs/dbraw/zinc/30/58/26/536305826.db2.gz LWKVKOWDANKBGD-NHDPSOOVSA-N 0 0 435.936 4.775 50 0 IJAARN COc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000002692844 536661696 /nfs/dbraw/zinc/66/16/96/536661696.db2.gz FQPPQRYUQYRADO-UHFFFAOYSA-N 0 0 428.897 4.684 50 0 IJAARN COc1cc2c(cc1Br)oc(C)c2C(=O)N1CCN(c2ccccc2C)CC1 ZINC000003646829 536888621 /nfs/dbraw/zinc/88/86/21/536888621.db2.gz CZIDGNROYZDNMF-UHFFFAOYSA-N 0 0 443.341 4.783 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(Br)ccc1OC ZINC000009052592 555507746 /nfs/dbraw/zinc/50/77/46/555507746.db2.gz UYNMWHPNFWQXHA-CYBMUJFWSA-N 0 0 449.370 4.667 50 0 IJAARN Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)NCc2ccco2)n1-c1ccccc1 ZINC000009111749 555509214 /nfs/dbraw/zinc/50/92/14/555509214.db2.gz SLZIEJZXFNULHX-SFHVURJKSA-N 0 0 448.548 4.545 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n2cnc(-c3cccc(C)c3)cc12 ZINC000000633276 555515770 /nfs/dbraw/zinc/51/57/70/555515770.db2.gz WBBGSLDJMRUJAW-UHFFFAOYSA-N 0 0 444.487 4.735 50 0 IJAARN COc1cc(Br)c(C)c(C(O)c2cc(OC)cc(Br)c2C)c1 ZINC000000639832 555517889 /nfs/dbraw/zinc/51/78/89/555517889.db2.gz SRHNPQTWDWAZEO-UHFFFAOYSA-N 0 0 430.136 4.927 50 0 IJAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000000640212 555518053 /nfs/dbraw/zinc/51/80/53/555518053.db2.gz WDYRQFPFHBBJBW-INIZCTEOSA-N 0 0 444.940 4.926 50 0 IJAARN O=c1oc2c(cc(NS(=O)(=O)c3ccc(Br)cc3)c3ccccc23)s1 ZINC000000645716 555520799 /nfs/dbraw/zinc/52/07/99/555520799.db2.gz AGMBLTBTBRRXIZ-UHFFFAOYSA-N 0 0 436.308 4.571 50 0 IJAARN O=Cc1ccc(COc2c(Br)cc(Br)cc2Br)o1 ZINC000000650795 555522628 /nfs/dbraw/zinc/52/26/28/555522628.db2.gz SCGGVCQDZDTWIF-UHFFFAOYSA-N 0 0 438.897 4.959 50 0 IJAARN COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCC4)cc1OC ZINC000000663674 555527432 /nfs/dbraw/zinc/52/74/32/555527432.db2.gz HAWHERHPUOEDRM-UHFFFAOYSA-N 0 0 431.517 4.677 50 0 IJAARN O=C(NN1C(=O)C(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000000664960 555528005 /nfs/dbraw/zinc/52/80/05/555528005.db2.gz NNDDUHFGZIFQCJ-UHFFFAOYSA-N 0 0 437.282 4.618 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000000672667 555532181 /nfs/dbraw/zinc/53/21/81/555532181.db2.gz ODFGKSOJKHFFBL-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000673932 555532605 /nfs/dbraw/zinc/53/26/05/555532605.db2.gz DIVORLIQHJSYBP-JQWIXIFHSA-N 0 0 430.839 4.781 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 ZINC000000674893 555533798 /nfs/dbraw/zinc/53/37/98/555533798.db2.gz JOQMYFRHTQQNFT-UXHICEINSA-N 0 0 444.457 4.525 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C)cc1Cl ZINC000000678942 555536595 /nfs/dbraw/zinc/53/65/95/555536595.db2.gz AZSVFGYHKHLWGM-UHFFFAOYSA-N 0 0 427.751 4.936 50 0 IJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(OC)c3OC)c2C(N)=O)C1 ZINC000000679861 555537138 /nfs/dbraw/zinc/53/71/38/555537138.db2.gz AKSTXEPWTORWPM-ZDUSSCGKSA-N 0 0 430.570 4.658 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@@H](CC)C2 ZINC000000679960 555537152 /nfs/dbraw/zinc/53/71/52/555537152.db2.gz HEJSXWZMFUWDJH-CYBMUJFWSA-N 0 0 425.506 4.798 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 ZINC000000686606 555540082 /nfs/dbraw/zinc/54/00/82/555540082.db2.gz CUDMFHSURRWDKO-SFHVURJKSA-N 0 0 438.597 4.795 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000000686855 555540137 /nfs/dbraw/zinc/54/01/37/555540137.db2.gz CIZFACPJTUXKNB-UHFFFAOYSA-N 0 0 448.894 4.543 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)Cc1ccccc1 ZINC000000709120 555546176 /nfs/dbraw/zinc/54/61/76/555546176.db2.gz WRJQDMRIHQDFCE-UHFFFAOYSA-N 0 0 425.506 4.790 50 0 IJAARN Cc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000000721458 555550235 /nfs/dbraw/zinc/55/02/35/555550235.db2.gz XGFMDSQDVYSMJO-UHFFFAOYSA-N 0 0 425.883 4.810 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3ccccc3Cl)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729396 555552656 /nfs/dbraw/zinc/55/26/56/555552656.db2.gz CDZFHDZREXPTBF-XZOQPEGZSA-N 0 0 439.895 4.901 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccnc2)cc1 ZINC000000796440 555558319 /nfs/dbraw/zinc/55/83/19/555558319.db2.gz IASJYWGETNVGHC-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccccc2C)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000808531 555560213 /nfs/dbraw/zinc/56/02/13/555560213.db2.gz YZMGTZSINMYRHA-UHFFFAOYSA-N 0 0 449.981 4.899 50 0 IJAARN O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000000819811 555563541 /nfs/dbraw/zinc/56/35/41/555563541.db2.gz LUNNZZCKEHYXER-UHFFFAOYSA-N 0 0 425.469 4.863 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000834620 555566933 /nfs/dbraw/zinc/56/69/33/555566933.db2.gz ZZDKMNYUQADVIY-SNVBAGLBSA-N 0 0 428.113 4.748 50 0 IJAARN NS(=O)(=O)c1ccc(N2N=C(/C=C/c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000000861724 555572746 /nfs/dbraw/zinc/57/27/46/555572746.db2.gz QWDYXQDOUWVAGM-WZHTZEMWSA-N 0 0 439.487 4.633 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000000865962 555573842 /nfs/dbraw/zinc/57/38/42/555573842.db2.gz RWEPLADJJRKTBX-UKRRQHHQSA-N 0 0 439.800 4.983 50 0 IJAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCC1 ZINC000000866998 555574274 /nfs/dbraw/zinc/57/42/74/555574274.db2.gz GQJCCKXYLLGXOA-KGLIPLIRSA-N 0 0 430.833 4.962 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2-c2ccccc2)cc1 ZINC000000867242 555574353 /nfs/dbraw/zinc/57/43/53/555574353.db2.gz XRNDYJCOLVRLCQ-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccnc4)c(Cl)c3N2)cc1 ZINC000000867057 555574386 /nfs/dbraw/zinc/57/43/86/555574386.db2.gz DKBUYBOADVLOME-CVEARBPZSA-N 0 0 449.864 4.830 50 0 IJAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1nccs1 ZINC000009464774 555575331 /nfs/dbraw/zinc/57/53/31/555575331.db2.gz IORFQJLXTNXVAE-UHFFFAOYSA-N 0 0 425.564 4.783 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3F)cc2)S(C)(=O)=O)cc1C ZINC000000880273 555577140 /nfs/dbraw/zinc/57/71/40/555577140.db2.gz SLVFENUFZRCODP-UHFFFAOYSA-N 0 0 426.513 4.661 50 0 IJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)c1 ZINC000000884186 555578734 /nfs/dbraw/zinc/57/87/34/555578734.db2.gz NYAPBWFNFGQALT-IAGOWNOFSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000000888266 555579518 /nfs/dbraw/zinc/57/95/18/555579518.db2.gz IFLXVVNQIZYEGE-UHFFFAOYSA-N 0 0 444.560 4.906 50 0 IJAARN COc1ccccc1CNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901245 555581465 /nfs/dbraw/zinc/58/14/65/555581465.db2.gz WKABFGCUEJXGPQ-AWEZNQCLSA-N 0 0 447.482 4.968 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000000980275 555593097 /nfs/dbraw/zinc/59/30/97/555593097.db2.gz BFMXVIHTAZJZIT-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccc(Br)cc1 ZINC000000988016 555595423 /nfs/dbraw/zinc/59/54/23/555595423.db2.gz QEWKQCDWQTXQIU-UHFFFAOYSA-N 0 0 448.114 4.831 50 0 IJAARN Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000990614 555596212 /nfs/dbraw/zinc/59/62/12/555596212.db2.gz UKZXKHJJPUPGCJ-UHFFFAOYSA-N 0 0 431.488 4.669 50 0 IJAARN CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000000993263 555597500 /nfs/dbraw/zinc/59/75/00/555597500.db2.gz JDRITSWHWGBZOI-GFCCVEGCSA-N 0 0 426.822 4.749 50 0 IJAARN Cc1cc(Br)cc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccccc3)nc12 ZINC000000993245 555597535 /nfs/dbraw/zinc/59/75/35/555597535.db2.gz QDCSTULVTUWHEZ-QGZVFWFLSA-N 0 0 425.326 4.882 50 0 IJAARN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccccc4)CC3=O)cc2)cc1C ZINC000000993359 555597748 /nfs/dbraw/zinc/59/77/48/555597748.db2.gz FUXWADXMNCLINS-OAQYLSRUSA-N 0 0 443.499 4.875 50 0 IJAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1C(N)=O ZINC000000995679 555598306 /nfs/dbraw/zinc/59/83/06/555598306.db2.gz STICVNGPCDJXQI-FMIVXFBMSA-N 0 0 428.554 4.670 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C(=O)OC)c1C ZINC000000995741 555598387 /nfs/dbraw/zinc/59/83/87/555598387.db2.gz UFOVCKXFEZFQAO-UHFFFAOYSA-N 0 0 443.352 4.884 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3c(=O)o1)CCCCC2 ZINC000000997616 555599323 /nfs/dbraw/zinc/59/93/23/555599323.db2.gz RXQADBAUADOGSL-UHFFFAOYSA-N 0 0 425.506 4.941 50 0 IJAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000001000800 555600231 /nfs/dbraw/zinc/60/02/31/555600231.db2.gz QISKOPFDCKOACB-UHFFFAOYSA-N 0 0 433.533 4.853 50 0 IJAARN CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1[C@@H](C(=O)OCC)CC2 ZINC000001034628 555607704 /nfs/dbraw/zinc/60/77/04/555607704.db2.gz SUJXBENNRMZWFQ-ZDUSSCGKSA-N 0 0 436.917 4.815 50 0 IJAARN CCOC(=O)c1sc(SCc2ccc(Cl)cc2)c(S(=O)(=O)C(C)C)c1N ZINC000001037767 555608672 /nfs/dbraw/zinc/60/86/72/555608672.db2.gz QNOIBYVSKASGRH-UHFFFAOYSA-N 0 0 434.004 4.635 50 0 IJAARN CC(=O)c1sc(SCCS(=O)(=O)c2ccc(C)cc2)c2c1CC(C)(C)CC2=O ZINC000001038531 555609100 /nfs/dbraw/zinc/60/91/00/555609100.db2.gz LTJVUQAJBRPZNT-UHFFFAOYSA-N 0 0 436.620 4.980 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2)c1cccs1 ZINC000001057368 555614853 /nfs/dbraw/zinc/61/48/53/555614853.db2.gz DVAXIUJMENVYFE-UHFFFAOYSA-N 0 0 444.306 4.765 50 0 IJAARN CCOc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1OC(=O)C1CCCCC1 ZINC000001062275 555616640 /nfs/dbraw/zinc/61/66/40/555616640.db2.gz RWSUFXMUYKCBDH-KRWDZBQOSA-N 0 0 437.492 4.774 50 0 IJAARN Cc1nnc2sc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000001067121 555619062 /nfs/dbraw/zinc/61/90/62/555619062.db2.gz NUOKAHQXSMUEOS-SNVBAGLBSA-N 0 0 448.335 4.874 50 0 IJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OCc4ccc(C)cc4)c(C)c3C(=O)C2)c1 ZINC000001069531 555620211 /nfs/dbraw/zinc/62/02/11/555620211.db2.gz SFJCTUBRPUQOHP-SFHVURJKSA-N 0 0 433.504 4.918 50 0 IJAARN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000001070083 555620635 /nfs/dbraw/zinc/62/06/35/555620635.db2.gz GIXSFTFLSRTLNX-UHFFFAOYSA-N 0 0 438.292 4.561 50 0 IJAARN CC(=O)Nc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000001078339 555625300 /nfs/dbraw/zinc/62/53/00/555625300.db2.gz PUXSCKGHYPDZGP-XMMPIXPASA-N 0 0 437.503 4.922 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1 ZINC000001084859 555626580 /nfs/dbraw/zinc/62/65/80/555626580.db2.gz BPYWEFAOMGHYPY-HXOBKFHXSA-N 0 0 435.549 4.786 50 0 IJAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC3CCCC3)cc2Cl)NC(=O)N1 ZINC000001108798 555630151 /nfs/dbraw/zinc/63/01/51/555630151.db2.gz SIXKUVLRMUOCJY-HXUWFJFHSA-N 0 0 436.936 4.641 50 0 IJAARN Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001110770 555631369 /nfs/dbraw/zinc/63/13/69/555631369.db2.gz AJHUGIJNPKCGSH-UHFFFAOYSA-N 0 0 442.968 4.502 50 0 IJAARN COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C ZINC000001117712 555635163 /nfs/dbraw/zinc/63/51/63/555635163.db2.gz OTDVMNUZTKTKRK-UHFFFAOYSA-N 0 0 432.973 4.754 50 0 IJAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc(C)c1Cl ZINC000001118324 555635762 /nfs/dbraw/zinc/63/57/62/555635762.db2.gz FHEBUQLXIWAEOW-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000001119172 555636438 /nfs/dbraw/zinc/63/64/38/555636438.db2.gz FEFDCHJLEAFLAA-UHFFFAOYSA-N 0 0 429.369 4.523 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001120088 555637302 /nfs/dbraw/zinc/63/73/02/555637302.db2.gz HEPQJSSQJSHMNJ-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1I ZINC000001121187 555637957 /nfs/dbraw/zinc/63/79/57/555637957.db2.gz GKLQGTCJGLXDRQ-UHFFFAOYSA-N 0 0 428.273 4.765 50 0 IJAARN CC(C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000001124340 555639601 /nfs/dbraw/zinc/63/96/01/555639601.db2.gz ATFIQQNRLHPXNP-CXUHLZMHSA-N 0 0 435.705 4.987 50 0 IJAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000001124842 555640162 /nfs/dbraw/zinc/64/01/62/555640162.db2.gz UZVQWJNGRKBDDJ-UHFFFAOYSA-N 0 0 438.292 4.561 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000001125050 555640194 /nfs/dbraw/zinc/64/01/94/555640194.db2.gz FIJFVRABDJLMOR-UHFFFAOYSA-N 0 0 426.545 4.540 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000001126347 555641068 /nfs/dbraw/zinc/64/10/68/555641068.db2.gz MMMKDAANMIKAIJ-FQEVSTJZSA-N 0 0 443.334 4.987 50 0 IJAARN O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccc(Br)cc1 ZINC000001128309 555642611 /nfs/dbraw/zinc/64/26/11/555642611.db2.gz LXOLMYVNSVTFRM-UHFFFAOYSA-N 0 0 428.311 4.589 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC[C@H](C)C3 ZINC000001141310 555650051 /nfs/dbraw/zinc/65/00/51/555650051.db2.gz UZYICUILJDAKPP-ZDUSSCGKSA-N 0 0 441.622 4.721 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001144929 555652741 /nfs/dbraw/zinc/65/27/41/555652741.db2.gz BLAPZGWBCDLNGT-UHFFFAOYSA-N 0 0 426.973 4.865 50 0 IJAARN CCc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001146016 555653230 /nfs/dbraw/zinc/65/32/30/555653230.db2.gz WFTVPSXNJYDIBC-UHFFFAOYSA-N 0 0 440.590 4.805 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000001154856 555658430 /nfs/dbraw/zinc/65/84/30/555658430.db2.gz YWSBQRRSTNDTCP-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CC(=O)Nc1c(C)ccc(CNC(=O)CSc2nc(-c3ccccc3)cs2)c1C ZINC000001160006 555661197 /nfs/dbraw/zinc/66/11/97/555661197.db2.gz MMNZYSSLIPWUHG-UHFFFAOYSA-N 0 0 425.579 4.794 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1Br ZINC000001161381 555662091 /nfs/dbraw/zinc/66/20/91/555662091.db2.gz YPYYVGKZSTWYCL-UHFFFAOYSA-N 0 0 438.778 4.830 50 0 IJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 ZINC000001166487 555664418 /nfs/dbraw/zinc/66/44/18/555664418.db2.gz NOACTZPFLJKGMT-UHFFFAOYSA-N 0 0 430.508 4.762 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000001171549 555666939 /nfs/dbraw/zinc/66/69/39/555666939.db2.gz CIMYXIYTUGUGOB-UHFFFAOYSA-N 0 0 446.931 4.930 50 0 IJAARN O=C(Nc1ccc(NC(=O)c2ccc(I)cc2)cc1)c1cccs1 ZINC000001172634 555667939 /nfs/dbraw/zinc/66/79/39/555667939.db2.gz CQJXHSLFJVEZIF-UHFFFAOYSA-N 0 0 448.285 4.857 50 0 IJAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccco1 ZINC000001176452 555670002 /nfs/dbraw/zinc/67/00/02/555670002.db2.gz NIDPJAXCSZYXJD-UHFFFAOYSA-N 0 0 434.304 4.966 50 0 IJAARN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000001177068 555670258 /nfs/dbraw/zinc/67/02/58/555670258.db2.gz NNXYUVUWRQYPFE-UHFFFAOYSA-N 0 0 441.516 4.910 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(I)c1 ZINC000001182794 555672467 /nfs/dbraw/zinc/67/24/67/555672467.db2.gz IDABUMQDFDEVSD-UHFFFAOYSA-N 0 0 439.256 4.858 50 0 IJAARN CCc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001183078 555672805 /nfs/dbraw/zinc/67/28/05/555672805.db2.gz VHBAODFIORJKOD-UHFFFAOYSA-N 0 0 429.339 4.997 50 0 IJAARN COc1ccc(C(=O)N[C@H](Oc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001187839 555674868 /nfs/dbraw/zinc/67/48/68/555674868.db2.gz UGMUWONBGCOCGN-MRXNPFEDSA-N 0 0 439.122 4.862 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001190870 555675764 /nfs/dbraw/zinc/67/57/64/555675764.db2.gz UTBJWFDNIGUOPX-UHFFFAOYSA-N 0 0 436.577 4.682 50 0 IJAARN COc1ccc(CCNC(=O)[C@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC ZINC000001192491 555676147 /nfs/dbraw/zinc/67/61/47/555676147.db2.gz GFYCWYYKUGYCNI-XMMPIXPASA-N 0 0 429.560 4.986 50 0 biogenic IJAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000001199058 555677911 /nfs/dbraw/zinc/67/79/11/555677911.db2.gz SEIGQXQXACGCPE-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000001218650 555685063 /nfs/dbraw/zinc/68/50/63/555685063.db2.gz LETVJRRSAVFCEP-QGZVFWFLSA-N 0 0 434.721 4.678 50 0 IJAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000001218517 555685130 /nfs/dbraw/zinc/68/51/30/555685130.db2.gz WZEBPZYMZLJBQX-UHFFFAOYSA-N 0 0 428.897 4.904 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000001219385 555685450 /nfs/dbraw/zinc/68/54/50/555685450.db2.gz QHFGXLNMEIKVAP-UHFFFAOYSA-N 0 0 441.380 4.556 50 0 IJAARN Cc1cccc(NC(=O)Cc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000001243845 555687541 /nfs/dbraw/zinc/68/75/41/555687541.db2.gz XZGGONMURCJMIN-UHFFFAOYSA-N 0 0 436.324 4.979 50 0 IJAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1Cl ZINC000001405823 555693683 /nfs/dbraw/zinc/69/36/83/555693683.db2.gz JJHCCUWUNLVLPV-UHFFFAOYSA-N 0 0 449.157 4.595 50 0 IJAARN Cc1ncsc1CCN1c2ccccc2[C@](O)(CC(=O)c2cccc3ccccc32)C1=O ZINC000001422640 555695499 /nfs/dbraw/zinc/69/54/99/555695499.db2.gz HMESDXWSYXBUMH-AREMUKBSSA-N 0 0 442.540 4.655 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccccc1OC ZINC000001434700 555696564 /nfs/dbraw/zinc/69/65/64/555696564.db2.gz QNGIUJBJJZIDJG-UHFFFAOYSA-N 0 0 444.553 4.557 50 0 IJAARN CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 ZINC000001459949 555700576 /nfs/dbraw/zinc/70/05/76/555700576.db2.gz ADEKRSNZHGRTAP-MRXNPFEDSA-N 0 0 435.351 4.698 50 0 IJAARN O=C(OCCOCCOC(=O)c1c[nH]cc1-c1ccccc1)c1c[nH]cc1-c1ccccc1 ZINC000001618104 555705960 /nfs/dbraw/zinc/70/59/60/555705960.db2.gz MWPWHBVKXWQVOZ-UHFFFAOYSA-N 0 0 444.487 4.707 50 0 IJAARN CCCCOc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br ZINC000001777613 555714352 /nfs/dbraw/zinc/71/43/52/555714352.db2.gz GTMOHWQRMMKYOS-UHFFFAOYSA-N 0 0 438.318 4.906 50 0 IJAARN COc1cc(C=C2N=C(SCC(=O)c3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000001812004 555718138 /nfs/dbraw/zinc/71/81/38/555718138.db2.gz NWTZXPFAEPRUCU-XSFVSMFZSA-N 0 0 444.512 4.761 50 0 IJAARN CCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(Cl)cc3Cl)nn2c1=O ZINC000001835164 555719370 /nfs/dbraw/zinc/71/93/70/555719370.db2.gz UNWHAGPQEXFYBW-WOJGMQOQSA-N 0 0 446.359 4.851 50 0 IJAARN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889629 555725976 /nfs/dbraw/zinc/72/59/76/555725976.db2.gz OUQLQFUZYGGYQZ-SFHVURJKSA-N 0 0 443.956 4.657 50 0 IJAARN COc1ccc(C(=O)NC(NNc2cccc(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002050380 555728721 /nfs/dbraw/zinc/72/87/21/555728721.db2.gz QYCOSLYNLGIMBS-UHFFFAOYSA-N 0 0 441.759 4.516 50 0 IJAARN Cc1ccc(C)c(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)c1 ZINC000002070429 555734655 /nfs/dbraw/zinc/73/46/55/555734655.db2.gz HYHXULGATFPAAU-PXNMLYILSA-N 0 0 437.664 4.906 50 0 IJAARN CCCOc1ccccc1[C@@H]1Oc2nc(SC)nnc2-c2ccccc2N1C(=O)CC ZINC000002104426 555742968 /nfs/dbraw/zinc/74/29/68/555742968.db2.gz RIKIEYLVIGBXOE-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(C)c1 ZINC000002236038 555760841 /nfs/dbraw/zinc/76/08/41/555760841.db2.gz LKCXYUWHLUHNQQ-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)NC[C@H]3CCCO3)c2c1 ZINC000002315741 555767997 /nfs/dbraw/zinc/76/79/97/555767997.db2.gz LNPUXSQEXOHBJC-QGZVFWFLSA-N 0 0 425.326 4.882 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccco3)c(=O)c2c1C ZINC000002366588 555772660 /nfs/dbraw/zinc/77/26/60/555772660.db2.gz XOYGUHZAHNJWOG-UHFFFAOYSA-N 0 0 439.562 4.755 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4)n3N)ccc21 ZINC000002403479 555776221 /nfs/dbraw/zinc/77/62/21/555776221.db2.gz BSYUXYHLKQBFCD-UHFFFAOYSA-N 0 0 442.548 4.518 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1 ZINC000002412822 555777076 /nfs/dbraw/zinc/77/70/76/555777076.db2.gz OUXINPKKHJXQRH-QMHKHESXSA-N 0 0 427.504 4.968 50 0 IJAARN CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1 ZINC000002412823 555777132 /nfs/dbraw/zinc/77/71/32/555777132.db2.gz OUXINPKKHJXQRH-WAIKUNEKSA-N 0 0 427.504 4.968 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1 ZINC000002446005 555780170 /nfs/dbraw/zinc/78/01/70/555780170.db2.gz GECKEUQSAMRFMJ-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccc(C)c1 ZINC000002446265 555780196 /nfs/dbraw/zinc/78/01/96/555780196.db2.gz DXWBERQNSKVEQT-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 ZINC000034679909 555791160 /nfs/dbraw/zinc/79/11/60/555791160.db2.gz LHIXIWQOGPRSOP-UHFFFAOYSA-N 0 0 430.548 4.614 50 0 IJAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCc2ccccn2)cc1 ZINC000034676007 555794362 /nfs/dbraw/zinc/79/43/62/555794362.db2.gz WRDKCLVCBOKDIJ-UHFFFAOYSA-N 0 0 429.564 4.828 50 0 IJAARN CC(C)CC(=O)N[C@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl ZINC000002666979 555796497 /nfs/dbraw/zinc/79/64/97/555796497.db2.gz WLUYALUNHHDNBR-MRXNPFEDSA-N 0 0 432.804 4.985 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1Cl ZINC000002692299 555799436 /nfs/dbraw/zinc/79/94/36/555799436.db2.gz LKKLIVMOJCICIP-UHFFFAOYSA-N 0 0 449.923 4.816 50 0 IJAARN Cc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)NCc3ccncc3)c2)cc1 ZINC000034686553 555801380 /nfs/dbraw/zinc/80/13/80/555801380.db2.gz XZQOJVNGZDUILZ-UHFFFAOYSA-N 0 0 441.575 4.972 50 0 IJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C ZINC000002737721 555806744 /nfs/dbraw/zinc/80/67/44/555806744.db2.gz SZBOVYFCGLUDSF-QGZVFWFLSA-N 0 0 447.553 4.983 50 0 IJAARN COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc(OC)c1OC ZINC000002744904 555808318 /nfs/dbraw/zinc/80/83/18/555808318.db2.gz YEWFELXPMAMJAN-CYBMUJFWSA-N 0 0 447.553 4.716 50 0 IJAARN COc1cc2c(cc1N1CC[C@H](C(=O)N(C)Cc3ccccc3)C1=O)oc1ccccc12 ZINC000034696284 555810922 /nfs/dbraw/zinc/81/09/22/555810922.db2.gz SNALFGUQSQGBKU-LJQANCHMSA-N 0 0 428.488 4.606 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)NCc1ccncc1 ZINC000034679990 555812834 /nfs/dbraw/zinc/81/28/34/555812834.db2.gz AMAYAVLFXABLTE-UHFFFAOYSA-N 0 0 445.538 4.803 50 0 IJAARN O=C(Nc1ccccc1Br)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000002762469 555813150 /nfs/dbraw/zinc/81/31/50/555813150.db2.gz ZEKSQLZEXGFQIA-UHFFFAOYSA-N 0 0 435.119 4.709 50 0 IJAARN CCCOC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CC[C@@H](C)C2 ZINC000002768042 555814386 /nfs/dbraw/zinc/81/43/86/555814386.db2.gz XVKMMEHECIIJPU-CYBMUJFWSA-N 0 0 425.506 4.798 50 0 IJAARN O=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2cccc(C(F)(F)F)c2)N(C(=O)C2CC2)C1 ZINC000034709434 555823477 /nfs/dbraw/zinc/82/34/77/555823477.db2.gz WIYWDYPUMGQACU-IFMALSPDSA-N 0 0 444.497 4.754 50 0 IJAARN CS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCCC2)c1 ZINC000010541478 555825132 /nfs/dbraw/zinc/82/51/32/555825132.db2.gz MNSLFYXZVRABHZ-UHFFFAOYSA-N 0 0 440.487 4.742 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711944 555825135 /nfs/dbraw/zinc/82/51/35/555825135.db2.gz APTGYPCNBCWBLT-KRWDZBQOSA-N 0 0 430.476 4.576 50 0 IJAARN O=C(NCCc1ccccn1)c1csc(-c2cccc(OCc3ccccc3F)c2)n1 ZINC000034712648 555825767 /nfs/dbraw/zinc/82/57/67/555825767.db2.gz HSUBJQZFHYRGAO-UHFFFAOYSA-N 0 0 433.508 4.896 50 0 IJAARN COc1cc(-c2nc(C(=O)N3CCOCC3)cs2)ccc1OCc1ccccc1Cl ZINC000034712413 555825802 /nfs/dbraw/zinc/82/58/02/555825802.db2.gz KXYANUGKTBKSKA-UHFFFAOYSA-N 0 0 444.940 4.524 50 0 IJAARN O=C(NCc1cccnc1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034712896 555826082 /nfs/dbraw/zinc/82/60/82/555826082.db2.gz PVGODNFSLUXCIL-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2F)n1)N1CCOCC1 ZINC000034713306 555826347 /nfs/dbraw/zinc/82/63/47/555826347.db2.gz VFMYHJKJDABGND-UHFFFAOYSA-N 0 0 432.904 4.654 50 0 IJAARN CSc1nc2sc3c(c2c(=O)n1-c1cccc(Br)c1)CC(C)(C)OC3 ZINC000002825667 555830994 /nfs/dbraw/zinc/83/09/94/555830994.db2.gz UFQJQEIFUGQUJT-UHFFFAOYSA-N 0 0 437.384 4.783 50 0 IJAARN Cc1cc(C(=O)NCCNC(=O)c2cc(C)oc2-c2ccccc2)c(-c2ccccc2)o1 ZINC000002838402 555834382 /nfs/dbraw/zinc/83/43/82/555834382.db2.gz NRCMHXSTAPFFEL-UHFFFAOYSA-N 0 0 428.488 4.983 50 0 IJAARN COc1ccc2nc(N3C(=O)[C@H]4[C@H](C3=O)C3c5ccccc5C4c4ccccc43)sc2c1 ZINC000002841490 555835779 /nfs/dbraw/zinc/83/57/79/555835779.db2.gz PMRQRGFHYCLRAD-BWWMBTDCSA-N 0 0 438.508 4.702 50 0 IJAARN O=S(=O)(N[C@H]1CCCC[C@H]1Sc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000002843323 555836350 /nfs/dbraw/zinc/83/63/50/555836350.db2.gz CZEVQCGNCVAXCB-ZWKOTPCHSA-N 0 0 446.623 4.664 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1 ZINC000002849126 555838454 /nfs/dbraw/zinc/83/84/54/555838454.db2.gz YXGVUCOMMHMDTP-UHFFFAOYSA-N 0 0 432.501 4.749 50 0 IJAARN Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)NCc1ccc(Cl)cc1 ZINC000002850798 555839215 /nfs/dbraw/zinc/83/92/15/555839215.db2.gz JXGHZFQWZCNLGM-UHFFFAOYSA-N 0 0 425.307 4.572 50 0 IJAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(Br)cc3CC)CC2=O)cc1 ZINC000002853771 555840774 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O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccs1 ZINC000002871543 555850011 /nfs/dbraw/zinc/85/00/11/555850011.db2.gz JILXPKBVPKWENG-NRFANRHFSA-N 0 0 442.334 4.518 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002873725 555851081 /nfs/dbraw/zinc/85/10/81/555851081.db2.gz VMLAWIAOMPQFFC-QAPCUYQASA-N 0 0 430.386 4.524 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002876208 555852401 /nfs/dbraw/zinc/85/24/01/555852401.db2.gz SMGCZOOGFIJWCM-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002877900 555853256 /nfs/dbraw/zinc/85/32/56/555853256.db2.gz MDZQHLXCUIAYCW-INIZCTEOSA-N 0 0 428.941 4.800 50 0 IJAARN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c(F)c1F ZINC000002879766 555854260 /nfs/dbraw/zinc/85/42/60/555854260.db2.gz WAYYPAMTTSTUNM-UHFFFAOYSA-N 0 0 446.425 4.950 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000002880246 555854517 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555890822 /nfs/dbraw/zinc/89/08/22/555890822.db2.gz ORPXFNROQCAXNY-UHFFFAOYSA-N 0 0 429.423 4.836 50 0 IJAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCC(C)C)cc1 ZINC000034785946 555896653 /nfs/dbraw/zinc/89/66/53/555896653.db2.gz ALRMBSLJZISKOZ-UHFFFAOYSA-N 0 0 447.461 4.926 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034757893 555902571 /nfs/dbraw/zinc/90/25/71/555902571.db2.gz ZQDKXGXHSYXLQR-UHFFFAOYSA-N 0 0 432.499 4.597 50 0 IJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)c3cc(F)cc(F)c3)CC1)=N2 ZINC000034812740 555909767 /nfs/dbraw/zinc/90/97/67/555909767.db2.gz JRFWQDZUHLSUJS-UHFFFAOYSA-N 0 0 433.458 4.915 50 0 IJAARN CN1C(=S)N(c2ccc(Oc3ccccc3)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000034915818 555930152 /nfs/dbraw/zinc/93/01/52/555930152.db2.gz FMGNFSFQJFUWLD-DEDYPNTBSA-N 0 0 430.485 4.812 50 0 IJAARN CCCCC(=O)N1CCN(C[C@@H](OCc2cccc(OC)c2)c2ccc(Cl)cc2)CC1 ZINC000034915477 555930325 /nfs/dbraw/zinc/93/03/25/555930325.db2.gz OGYSXHSDDUYTOL-XMMPIXPASA-N 0 0 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ZINC000004003917 555952498 /nfs/dbraw/zinc/95/24/98/555952498.db2.gz MQGRWPHCKCMKFT-PDIWNELESA-N 0 0 444.553 4.558 50 0 IJAARN COc1ccc(NC(=S)NCCCCCCNC(=S)Nc2ccc(OC)cc2)cc1 ZINC000004065267 555957420 /nfs/dbraw/zinc/95/74/20/555957420.db2.gz RGPZTGRLVVVSDF-UHFFFAOYSA-N 0 0 446.642 4.537 50 0 IJAARN O=C(COC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@H]2CC[C@H]1C2)c1ccc(Br)cc1 ZINC000004179262 555974273 /nfs/dbraw/zinc/97/42/73/555974273.db2.gz CMCWEFUSUQTTGL-OVQGTLEDSA-N 0 0 441.321 4.720 50 0 IJAARN COC(=O)c1c(C)n(CCc2ccc(OC)c(OC)c2)c(C=O)c1-c1ccc(Cl)cc1 ZINC000004237701 555978435 /nfs/dbraw/zinc/97/84/35/555978435.db2.gz PPRBNIQOQLEPHK-UHFFFAOYSA-N 0 0 441.911 4.976 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000004283798 555982826 /nfs/dbraw/zinc/98/28/26/555982826.db2.gz NNVFXOKUKWHHQB-UHFFFAOYSA-N 0 0 430.309 4.760 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)cc1 ZINC000002298062 556073213 /nfs/dbraw/zinc/07/32/13/556073213.db2.gz BVUYBRUCOJDTBS-UHFFFAOYSA-N 0 0 445.426 4.687 50 0 IJAARN Cc1sc2nc(SCCCN3C(=O)c4cccc5cccc(c54)C3=O)nc(N)c2c1C ZINC000006154170 556078639 /nfs/dbraw/zinc/07/86/39/556078639.db2.gz UZGDLEHYJWPXCK-UHFFFAOYSA-N 0 0 448.573 4.822 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC ZINC000006162706 556078923 /nfs/dbraw/zinc/07/89/23/556078923.db2.gz XQPLCUCZJLKJTG-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1ccc(CCNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1OC ZINC000002688953 556119652 /nfs/dbraw/zinc/11/96/52/556119652.db2.gz DKMQENGQNKWHHE-UHFFFAOYSA-N 0 0 425.492 4.616 50 0 IJAARN COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)c1OC ZINC000002692358 556120486 /nfs/dbraw/zinc/12/04/86/556120486.db2.gz PKXKOFDUBHUVLU-UHFFFAOYSA-N 0 0 431.311 4.909 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002693528 556120880 /nfs/dbraw/zinc/12/08/80/556120880.db2.gz KQJVDGOHZHFIKS-UHFFFAOYSA-N 0 0 431.513 4.924 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000002703993 556122970 /nfs/dbraw/zinc/12/29/70/556122970.db2.gz MMXNXEVHSGNTQO-JOCHJYFZSA-N 0 0 447.874 4.906 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000002704136 556123235 /nfs/dbraw/zinc/12/32/35/556123235.db2.gz FXUCHKNGDUVATA-QHCPKHFHSA-N 0 0 425.440 4.576 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1OCC ZINC000002704212 556123561 /nfs/dbraw/zinc/12/35/61/556123561.db2.gz NQMCQITUXHRMHL-HXUWFJFHSA-N 0 0 448.500 4.797 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccc(OC)c4)C32)c1 ZINC000002707350 556124143 /nfs/dbraw/zinc/12/41/43/556124143.db2.gz DUFYQJXIGFIUOO-DQEYMECFSA-N 0 0 438.487 4.855 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)c2ccc(Cl)cc2)CCS3)cc1 ZINC000002719809 556126054 /nfs/dbraw/zinc/12/60/54/556126054.db2.gz MQYSVBAJSSQGFK-UHFFFAOYSA-N 0 0 428.966 4.818 50 0 IJAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)Nc1ccccc1 ZINC000002720620 556127120 /nfs/dbraw/zinc/12/71/20/556127120.db2.gz RMSQKSRRHAFQPV-UHFFFAOYSA-N 0 0 426.501 4.598 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C(C)C)cc1 ZINC000002713511 556129166 /nfs/dbraw/zinc/12/91/66/556129166.db2.gz OREHOILHEDRICB-UHFFFAOYSA-N 0 0 437.521 4.853 50 0 IJAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)c1 ZINC000002716513 556131057 /nfs/dbraw/zinc/13/10/57/556131057.db2.gz UUXANAQYVUWBKP-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000002717597 556131400 /nfs/dbraw/zinc/13/14/00/556131400.db2.gz ATDNXQGFFKMKIT-OAQYLSRUSA-N 0 0 428.598 4.700 50 0 IJAARN COc1cc(C(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc(OC)c1OC ZINC000002763100 556135661 /nfs/dbraw/zinc/13/56/61/556135661.db2.gz RNMOLOWMEUHUMJ-UHFFFAOYSA-N 0 0 447.894 4.619 50 0 IJAARN COc1ccc(-c2ccnc(SCc3nc4c5c6c(sc5ncn4n3)CCC6)n2)cc1 ZINC000002788900 556139142 /nfs/dbraw/zinc/13/91/42/556139142.db2.gz GUGAZWPJJFZKJH-UHFFFAOYSA-N 0 0 446.561 4.586 50 0 IJAARN CC[C@H]1CCc2c(sc3ncn4nc(CCn5nc(C(F)(F)F)cc5C)nc4c23)C1 ZINC000002790072 556139363 /nfs/dbraw/zinc/13/93/63/556139363.db2.gz QVCJCRZNNQWFIF-LBPRGKRZSA-N 0 0 434.491 4.620 50 0 IJAARN Cc1nn(C)cc1CNC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002769165 556140275 /nfs/dbraw/zinc/14/02/75/556140275.db2.gz OQOUDDXUVLWOTM-UHFFFAOYSA-N 0 0 435.325 4.636 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1F ZINC000002809124 556146931 /nfs/dbraw/zinc/14/69/31/556146931.db2.gz XOUXYRVCJWRWHK-UHFFFAOYSA-N 0 0 436.302 4.544 50 0 IJAARN CCCCCOc1ccc(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008384462 556160288 /nfs/dbraw/zinc/16/02/88/556160288.db2.gz PCOYZUPPFVDGAQ-HSZRJFAPSA-N 0 0 443.609 4.648 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2CC)cc1 ZINC000008400846 556166538 /nfs/dbraw/zinc/16/65/38/556166538.db2.gz UDNOVRVVCMVRAM-MRXNPFEDSA-N 0 0 426.542 4.568 50 0 IJAARN O=c1/c(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)sc2nc3ccccc3n12 ZINC000008407476 556166807 /nfs/dbraw/zinc/16/68/07/556166807.db2.gz LSNJYTAJEPFHLR-MTJSOVHGSA-N 0 0 436.895 4.828 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000003047663 556167942 /nfs/dbraw/zinc/16/79/42/556167942.db2.gz RSFAFHBZAWYNHC-UHFFFAOYSA-N 0 0 432.929 4.740 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000008438086 556174248 /nfs/dbraw/zinc/17/42/48/556174248.db2.gz JZODCCJOWSBIEW-HAJZJEPZSA-N 0 0 427.891 4.788 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000008438010 556174313 /nfs/dbraw/zinc/17/43/13/556174313.db2.gz LTUNJPUTUVFQSN-UHFFFAOYSA-N 0 0 432.505 4.805 50 0 IJAARN COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(F)cc1C)c1ccccc21 ZINC000008439318 556175453 /nfs/dbraw/zinc/17/54/53/556175453.db2.gz JLUHFTZJEVNUNU-UHFFFAOYSA-N 0 0 427.453 4.929 50 0 IJAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000008442711 556177786 /nfs/dbraw/zinc/17/77/86/556177786.db2.gz JCJPHKVFTVRRCB-MNHKFAADSA-N 0 0 442.922 4.733 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c(Br)c3C)n2)c1 ZINC000008592964 556189675 /nfs/dbraw/zinc/18/96/75/556189675.db2.gz ANQXQEXBHLCMEN-UHFFFAOYSA-N 0 0 427.224 4.736 50 0 IJAARN COc1cccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccccc2F)c1 ZINC000008595151 556190265 /nfs/dbraw/zinc/19/02/65/556190265.db2.gz MMMUPHMAKAEKDW-UHFFFAOYSA-N 0 0 426.451 4.695 50 0 IJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCC2=CCCCC2)cc1 ZINC000008599632 556190705 /nfs/dbraw/zinc/19/07/05/556190705.db2.gz KXUJYDHTRFJNGW-HSZRJFAPSA-N 0 0 447.535 4.752 50 0 IJAARN Cc1c(N2C(=O)[C@@H](C)S[C@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008716664 556202429 /nfs/dbraw/zinc/20/24/29/556202429.db2.gz VFDJUAJHQYBECF-ASSNKEHSSA-N 0 0 448.375 4.958 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 ZINC000008816517 556218111 /nfs/dbraw/zinc/21/81/11/556218111.db2.gz QFCRMAQRKNDGST-UHFFFAOYSA-N 0 0 436.459 4.723 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(I)cc1 ZINC000008834391 556225760 /nfs/dbraw/zinc/22/57/60/556225760.db2.gz HPCOHFZCFDEGDV-UHFFFAOYSA-N 0 0 435.286 4.759 50 0 IJAARN O=C(c1ccccc1F)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008995732 556239556 /nfs/dbraw/zinc/23/95/56/556239556.db2.gz OVKUQQIFPNRCMN-QGZVFWFLSA-N 0 0 447.915 4.569 50 0 IJAARN O=S1(=O)C[C@H]2N=C(SCc3cccc4ccccc43)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000009060790 556244194 /nfs/dbraw/zinc/24/41/94/556244194.db2.gz IUUISDBAXDFPHJ-NHCUHLMSSA-N 0 0 442.993 4.768 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc(-c3ccccc3F)s2)c1C ZINC000097549002 556247756 /nfs/dbraw/zinc/24/77/56/556247756.db2.gz VVTJZLJMDKYRIP-SFHVURJKSA-N 0 0 441.553 4.720 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009197980 556256220 /nfs/dbraw/zinc/25/62/20/556256220.db2.gz VDZSVGNDWJADFI-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccccc3)c2c1 ZINC000009225166 556259227 /nfs/dbraw/zinc/25/92/27/556259227.db2.gz XEYYTSPRJIIYGX-UHFFFAOYSA-N 0 0 427.504 4.569 50 0 IJAARN O=C1CS[C@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1cccc(Cl)c1 ZINC000009225682 556259533 /nfs/dbraw/zinc/25/95/33/556259533.db2.gz RLURYPHERQHQDD-HSZRJFAPSA-N 0 0 438.911 4.959 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1C ZINC000009225728 556259737 /nfs/dbraw/zinc/25/97/37/556259737.db2.gz MSWREFMIQVOEEQ-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000009225768 556259849 /nfs/dbraw/zinc/25/98/49/556259849.db2.gz FOAPCKOUOSUBQY-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239300 556265750 /nfs/dbraw/zinc/26/57/50/556265750.db2.gz FURFTSOHTLCKDX-ROUUACIJSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009239586 556266069 /nfs/dbraw/zinc/26/60/69/556266069.db2.gz YLLZWUCKHBEVRG-YADHBBJMSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000009239601 556266072 /nfs/dbraw/zinc/26/60/72/556266072.db2.gz GURQFIFTQAWUAU-YADHBBJMSA-N 0 0 435.597 4.808 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239619 556266367 /nfs/dbraw/zinc/26/63/67/556266367.db2.gz KZXHVGWJMLBBRF-FGZHOGPDSA-N 0 0 435.597 4.808 50 0 IJAARN COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289572 556273773 /nfs/dbraw/zinc/27/37/73/556273773.db2.gz XUFCVZYUDZINAQ-DEOSSOPVSA-N 0 0 440.503 4.987 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 ZINC000009291004 556274058 /nfs/dbraw/zinc/27/40/58/556274058.db2.gz WXZZKFYPDGJTQG-UHFFFAOYSA-N 0 0 428.561 4.960 50 0 IJAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1OC ZINC000009291146 556274253 /nfs/dbraw/zinc/27/42/53/556274253.db2.gz RGFIJNMONWMNJI-UHFFFAOYSA-N 0 0 443.569 4.738 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009294974 556274263 /nfs/dbraw/zinc/27/42/63/556274263.db2.gz FUQOUMUBGSTDII-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009294986 556274530 /nfs/dbraw/zinc/27/45/30/556274530.db2.gz FIWYDTFIZBIORY-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccccc2)cc1 ZINC000009296385 556275540 /nfs/dbraw/zinc/27/55/40/556275540.db2.gz JMPZBUSNUOGLQQ-QZTJIDSGSA-N 0 0 436.581 4.825 50 0 IJAARN COc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4ccccc4F)cc3)CCOCC2)cc1 ZINC000013692107 556281775 /nfs/dbraw/zinc/28/17/75/556281775.db2.gz DBAALJJEYJXEDY-UHFFFAOYSA-N 0 0 448.494 4.774 50 0 IJAARN CCOc1ccc(/C=C/C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC ZINC000009331469 556282630 /nfs/dbraw/zinc/28/26/30/556282630.db2.gz YLULQTFJIXRZES-YRNVUSSQSA-N 0 0 429.929 4.842 50 0 IJAARN CCCC[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21 ZINC000009333973 556282973 /nfs/dbraw/zinc/28/29/73/556282973.db2.gz MAZBSPJVUDEZSL-DEOSSOPVSA-N 0 0 425.598 4.579 50 0 IJAARN COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc(OC)c1OC ZINC000009429798 556290871 /nfs/dbraw/zinc/29/08/71/556290871.db2.gz BQEUJZRIHFRANW-UHFFFAOYSA-N 0 0 449.434 4.877 50 0 IJAARN CC(C)CN1CCn2c3ccc(NC(=O)c4cccc(Br)c4)cc3nc2C1 ZINC000013723322 556291502 /nfs/dbraw/zinc/29/15/02/556291502.db2.gz LABIDAVWKCRXJY-UHFFFAOYSA-N 0 0 427.346 4.523 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000009435829 556291804 /nfs/dbraw/zinc/29/18/04/556291804.db2.gz RHFRBUNEFCHCGM-PMACEKPBSA-N 0 0 444.432 4.881 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000009435831 556291897 /nfs/dbraw/zinc/29/18/97/556291897.db2.gz RHFRBUNEFCHCGM-UXHICEINSA-N 0 0 444.432 4.881 50 0 IJAARN COc1ccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000009487900 556294538 /nfs/dbraw/zinc/29/45/38/556294538.db2.gz MVDHHRQCTGRXSC-UHFFFAOYSA-N 0 0 449.576 4.759 50 0 IJAARN CC=CC=CC(=O)OCC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000009499431 556295395 /nfs/dbraw/zinc/29/53/95/556295395.db2.gz USOSDJHKRBOJNT-MQQKCMAXSA-N 0 0 429.266 4.527 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000009499325 556295512 /nfs/dbraw/zinc/29/55/12/556295512.db2.gz YPNFZZNHUSNGCC-UHFFFAOYSA-N 0 0 426.448 4.595 50 0 IJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)OCCc4ccccc4)c(C)c3C(=O)C2)c1 ZINC000009559781 556298228 /nfs/dbraw/zinc/29/82/28/556298228.db2.gz BRBPCUSRZBWFDN-SFHVURJKSA-N 0 0 433.504 4.653 50 0 IJAARN Cc1cccc(N2C(=O)c3ccc(NC(=O)c4ccc(Br)cc4)cc3C2=O)c1 ZINC000009600591 556302041 /nfs/dbraw/zinc/30/20/41/556302041.db2.gz YIHPNRHFRGVMCG-UHFFFAOYSA-N 0 0 435.277 4.810 50 0 IJAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000009668158 556305155 /nfs/dbraw/zinc/30/51/55/556305155.db2.gz JBBLAAHVALXXLO-DHZHZOJOSA-N 0 0 431.330 4.638 50 0 IJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(OC)cc2OC)c1C ZINC000009830242 556310372 /nfs/dbraw/zinc/31/03/72/556310372.db2.gz XXRHUMIWKATEBM-UHFFFAOYSA-N 0 0 436.508 4.605 50 0 IJAARN CCN(CCCNc1nc2ccccc2c2nc(-c3cccnc3)nn21)c1cccc(C)c1 ZINC000009831080 556312313 /nfs/dbraw/zinc/31/23/13/556312313.db2.gz QHTFIPSALOVMPO-UHFFFAOYSA-N 0 0 437.551 4.976 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)c(OC)c1 ZINC000013811178 556312594 /nfs/dbraw/zinc/31/25/94/556312594.db2.gz CYKXNCPBWSKQBA-DHIUTWEWSA-N 0 0 444.516 4.570 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CCN(C(=O)C2CC2)CC1 ZINC000032750604 556313111 /nfs/dbraw/zinc/31/31/11/556313111.db2.gz JSCLZSJWAYPBQP-OAQYLSRUSA-N 0 0 449.982 4.718 50 0 IJAARN Cc1occc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000032747756 556316613 /nfs/dbraw/zinc/31/66/13/556316613.db2.gz JOUVWQCNZOOMEM-UHFFFAOYSA-N 0 0 425.293 4.948 50 0 IJAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCc1ccc(Cl)cc1 ZINC000013839160 556317639 /nfs/dbraw/zinc/31/76/39/556317639.db2.gz HTUIUPKIBKERNP-VWLOTQADSA-N 0 0 443.934 4.725 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)s1 ZINC000013842686 556317951 /nfs/dbraw/zinc/31/79/51/556317951.db2.gz JLNIAZAACCBQAT-JOCHJYFZSA-N 0 0 429.900 4.856 50 0 IJAARN CCc1nnc2sc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 ZINC000013847576 556319682 /nfs/dbraw/zinc/31/96/82/556319682.db2.gz PSBNZSLCJJFVHD-UHFFFAOYSA-N 0 0 429.958 4.799 50 0 IJAARN Cc1cccc(C)c1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 ZINC000013882176 556326598 /nfs/dbraw/zinc/32/65/98/556326598.db2.gz JZFYPXAMGCNZCZ-XBLGPDGASA-N 0 0 429.362 4.592 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccncc1 ZINC000010231092 556327800 /nfs/dbraw/zinc/32/78/00/556327800.db2.gz NKRLMVAIRGYNAT-AWEZNQCLSA-N 0 0 438.582 4.725 50 0 IJAARN CN(c1ccc(C(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013896723 556329840 /nfs/dbraw/zinc/32/98/40/556329840.db2.gz VVQCLPFZQAQARH-UHFFFAOYSA-N 0 0 436.867 4.696 50 0 IJAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000013936219 556336047 /nfs/dbraw/zinc/33/60/47/556336047.db2.gz WHQOSCOOHMEHPN-UHFFFAOYSA-N 0 0 427.551 4.613 50 0 IJAARN CSc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1 ZINC000032774181 556336243 /nfs/dbraw/zinc/33/62/43/556336243.db2.gz GIWZGHNSCPIJFT-OAQYLSRUSA-N 0 0 428.579 4.503 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(C)c3C)cc2)cc1 ZINC000013936386 556336337 /nfs/dbraw/zinc/33/63/37/556336337.db2.gz RHOOLOKLMYWPES-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)CCCc4ccccc4)s3)CC2=O)c1 ZINC000013944470 556341640 /nfs/dbraw/zinc/34/16/40/556341640.db2.gz RSXPGKUDGCLHAD-IBGZPJMESA-N 0 0 434.565 4.637 50 0 IJAARN COc1ccc(C(=O)NCc2nnc(SCc3ccccc3Cl)n2CC(C)C)cc1 ZINC000011782916 556351345 /nfs/dbraw/zinc/35/13/45/556351345.db2.gz LFUXJXUUHKOREW-UHFFFAOYSA-N 0 0 444.988 4.818 50 0 IJAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1 ZINC000011785129 556352804 /nfs/dbraw/zinc/35/28/04/556352804.db2.gz MIEQHFLBIPQQBE-SFHVURJKSA-N 0 0 442.494 4.591 50 0 IJAARN Cc1ccccc1-c1ccccc1C(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000011812797 556356469 /nfs/dbraw/zinc/35/64/69/556356469.db2.gz ZLSZHRQUSPLTKU-UHFFFAOYSA-N 0 0 428.536 4.684 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000011841626 556365578 /nfs/dbraw/zinc/36/55/78/556365578.db2.gz QYLSOTDJQSCKRJ-QDPGVEIFSA-N 0 0 444.550 4.967 50 0 IJAARN CN1c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)c3cccc(c23)C1=O ZINC000011851904 556367501 /nfs/dbraw/zinc/36/75/01/556367501.db2.gz ITZKTHBSRJZDKT-UHFFFAOYSA-N 0 0 442.540 4.821 50 0 IJAARN Nc1c(Cl)cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1Cl ZINC000014135939 556375189 /nfs/dbraw/zinc/37/51/89/556375189.db2.gz DOEDEJJCGYRDAO-LJQANCHMSA-N 0 0 428.319 4.555 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000014138311 556375874 /nfs/dbraw/zinc/37/58/74/556375874.db2.gz UYCRFCKFAHPENX-FGZHOGPDSA-N 0 0 434.923 4.841 50 0 IJAARN Cc1nc2ccccn2c1CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000011935820 556378396 /nfs/dbraw/zinc/37/83/96/556378396.db2.gz JSJBOPYPXQAJMG-UHFFFAOYSA-N 0 0 428.467 4.786 50 0 IJAARN COc1cc2c(cc1OC)CN(Cn1nc(-c3cccs3)n(C3CC3)c1=S)CC2 ZINC000014181807 556382498 /nfs/dbraw/zinc/38/24/98/556382498.db2.gz GKABOZFDRFSMHL-UHFFFAOYSA-N 0 0 428.583 4.510 50 0 IJAARN COc1cc(C[C@@]2(CCC(=O)N[C@H](C)c3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011974270 556382903 /nfs/dbraw/zinc/38/29/03/556382903.db2.gz FRCWBTBVCXOJNK-DNOBIOAJSA-N 0 0 448.538 4.836 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CC=C(c2ccccc2)CC1 ZINC000014182927 556383118 /nfs/dbraw/zinc/38/31/18/556383118.db2.gz LLPIJVVCVQOEBC-UHFFFAOYSA-N 0 0 436.606 4.673 50 0 IJAARN Cc1cccc2c1ncn(CC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1)c2=O ZINC000014183381 556383531 /nfs/dbraw/zinc/38/35/31/556383531.db2.gz DSXRYDBNRUYHFE-DEOSSOPVSA-N 0 0 425.532 4.585 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014184323 556384476 /nfs/dbraw/zinc/38/44/76/556384476.db2.gz RCVAKBSTCXMLAP-MRXNPFEDSA-N 0 0 436.562 4.845 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](NCc1nnc2ccccn21)c1ccccc1 ZINC000014186176 556385954 /nfs/dbraw/zinc/38/59/54/556385954.db2.gz DVPISMYBBBNAPR-FQEVSTJZSA-N 0 0 426.307 4.506 50 0 IJAARN CC(C)CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cs1 ZINC000014188084 556386965 /nfs/dbraw/zinc/38/69/65/556386965.db2.gz JOMLNCICJIUONN-OAHLLOKOSA-N 0 0 431.558 4.624 50 0 IJAARN Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)n2)cc1F ZINC000014198360 556389646 /nfs/dbraw/zinc/38/96/46/556389646.db2.gz OQGDBNAWNLTFQP-UHFFFAOYSA-N 0 0 448.479 4.828 50 0 IJAARN Cc1cc(C(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c(C)n1Cc1ccc(F)cc1 ZINC000014200773 556391472 /nfs/dbraw/zinc/39/14/72/556391472.db2.gz WIQSSWZQTSFCBX-UHFFFAOYSA-N 0 0 439.556 4.687 50 0 IJAARN O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)c1cccc(-c2ccccc2F)c1 ZINC000012048705 556391739 /nfs/dbraw/zinc/39/17/39/556391739.db2.gz YMGLHHVQUSQFSS-FQEVSTJZSA-N 0 0 425.463 4.683 50 0 IJAARN CSc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012050610 556392039 /nfs/dbraw/zinc/39/20/39/556392039.db2.gz BBSJQZHPBOZSJC-INIZCTEOSA-N 0 0 432.536 4.636 50 0 IJAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)c(OC)c1 ZINC000012072728 556396108 /nfs/dbraw/zinc/39/61/08/556396108.db2.gz XGKPQOTUDWNYDG-GOSISDBHSA-N 0 0 445.629 4.592 50 0 IJAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)cc1 ZINC000032810279 556396397 /nfs/dbraw/zinc/39/63/97/556396397.db2.gz FKAFGMIACMUGFH-UHFFFAOYSA-N 0 0 448.320 4.773 50 0 IJAARN CC(C)c1c(C(=O)N2CCCC[C@H]2c2cccnc2)cnn1-c1nccc(-c2ccco2)n1 ZINC000012080186 556398706 /nfs/dbraw/zinc/39/87/06/556398706.db2.gz KRQPNKONTZXOMH-NRFANRHFSA-N 0 0 442.523 4.808 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN(C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000012091294 556402462 /nfs/dbraw/zinc/40/24/62/556402462.db2.gz UMJBCDJDYVHNSF-UHFFFAOYSA-N 0 0 444.535 4.871 50 0 IJAARN Clc1snnc1CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000014244655 556404484 /nfs/dbraw/zinc/40/44/84/556404484.db2.gz GXMQSLIUMFUTOR-UHFFFAOYSA-N 0 0 443.941 4.519 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)ccc4F)cc3)n2)cc1 ZINC000032578513 556405292 /nfs/dbraw/zinc/40/52/92/556405292.db2.gz ZMZQKRFGAHLTMY-UHFFFAOYSA-N 0 0 437.402 4.708 50 0 IJAARN CC(C)C[C@]1(c2ccccc2)NC(=O)N(CN2CCC[C@@H]2c2nc3ccccc3s2)C1=O ZINC000014250200 556408581 /nfs/dbraw/zinc/40/85/81/556408581.db2.gz KLSICHWMMQUAAB-CJFMBICVSA-N 0 0 448.592 4.884 50 0 IJAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000032622361 556409654 /nfs/dbraw/zinc/40/96/54/556409654.db2.gz PAGCNEHCUKVKBN-GOSISDBHSA-N 0 0 444.329 4.654 50 0 IJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(-n2cnnc2)c1 ZINC000032646829 556412779 /nfs/dbraw/zinc/41/27/79/556412779.db2.gz BRNIMOVMBJLUOY-CQSZACIVSA-N 0 0 429.318 4.561 50 0 IJAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000032675694 556415567 /nfs/dbraw/zinc/41/55/67/556415567.db2.gz KFBFAOQQUBBRNF-UHFFFAOYSA-N 0 0 449.551 4.650 50 0 IJAARN COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OCc1cccnc1 ZINC000032832206 556417314 /nfs/dbraw/zinc/41/73/14/556417314.db2.gz VHCXPHPBBOJVRS-UHFFFAOYSA-N 0 0 427.298 4.613 50 0 IJAARN COc1ccc2[nH]c(SCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)nc2c1 ZINC000032668356 556418265 /nfs/dbraw/zinc/41/82/65/556418265.db2.gz BKVJCLNORVFXTR-KRWDZBQOSA-N 0 0 438.534 4.696 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977781 556422758 /nfs/dbraw/zinc/42/27/58/556422758.db2.gz DDBOKRGXPRNPGG-JRUMVTRASA-N 0 0 449.364 4.734 50 0 IJAARN COc1cccc(-c2nnc(SC[C@H]3COc4ccccc4O3)n2Cc2ccco2)c1 ZINC000012980734 556424234 /nfs/dbraw/zinc/42/42/34/556424234.db2.gz REEPCQATCPATSY-LJQANCHMSA-N 0 0 435.505 4.527 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cs2)cc1OC ZINC000012986959 556427358 /nfs/dbraw/zinc/42/73/58/556427358.db2.gz FUDGCIWIVGHRSV-CQSZACIVSA-N 0 0 444.578 4.595 50 0 IJAARN O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000032848090 556430669 /nfs/dbraw/zinc/43/06/69/556430669.db2.gz XOKPOXBYOZKYKS-RUZDIDTESA-N 0 0 446.528 4.628 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000013000235 556432888 /nfs/dbraw/zinc/43/28/88/556432888.db2.gz OGXHOBRDVZAVHV-UHFFFAOYSA-N 0 0 432.398 4.685 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000013002277 556433780 /nfs/dbraw/zinc/43/37/80/556433780.db2.gz VGYMQRKOZKFAMF-UHFFFAOYSA-N 0 0 428.492 4.607 50 0 IJAARN NC(=O)N[C@H](CC(=O)Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000032857497 556433834 /nfs/dbraw/zinc/43/38/34/556433834.db2.gz IZNLKMLSZPBXRZ-HXUWFJFHSA-N 0 0 440.956 4.766 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)Cn3cnc4ccccc4c3=O)nc21 ZINC000014711319 556435579 /nfs/dbraw/zinc/43/55/79/556435579.db2.gz HYYMQPWWJPRPRU-UHFFFAOYSA-N 0 0 440.528 4.548 50 0 IJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OCc2csc(C)n2)c(OC)c1 ZINC000013011683 556435854 /nfs/dbraw/zinc/43/58/54/556435854.db2.gz PAJIHEYXBOVKAO-UHFFFAOYSA-N 0 0 446.550 4.756 50 0 IJAARN Cc1csc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cc(=O)n12 ZINC000013015159 556437332 /nfs/dbraw/zinc/43/73/32/556437332.db2.gz LNGYKZPHZAKDLI-SNVBAGLBSA-N 0 0 430.580 4.593 50 0 IJAARN CC[C@H](C)Nc1cnc2c(c1)c(NC(C)=O)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014742822 556439678 /nfs/dbraw/zinc/43/96/78/556439678.db2.gz VBGRDDXKCGMZRA-HNNXBMFYSA-N 0 0 447.539 4.716 50 0 IJAARN Cc1sc2nc(C)nc(SCc3cc(=O)n4c(n3)sc3c4CCCC3)c2c1C ZINC000013038742 556444742 /nfs/dbraw/zinc/44/47/42/556444742.db2.gz WYNMVWRTQMGQGI-UHFFFAOYSA-N 0 0 428.608 4.857 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000013042538 556448453 /nfs/dbraw/zinc/44/84/53/556448453.db2.gz UYSHJXMGQOTEKN-QFIPXVFZSA-N 0 0 431.916 4.549 50 0 IJAARN CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccccc1 ZINC000013061132 556450328 /nfs/dbraw/zinc/45/03/28/556450328.db2.gz DATVPMCPZMIQJL-HOYKHHGWSA-N 0 0 436.552 4.671 50 0 IJAARN O=C(Nc1cccnc1)c1nc(SCc2ccc(Cl)cc2)ncc1Br ZINC000028291967 556450354 /nfs/dbraw/zinc/45/03/54/556450354.db2.gz AGAQMHYTLWOHRM-UHFFFAOYSA-N 0 0 435.734 4.832 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c2ccccc12 ZINC000032865708 556451008 /nfs/dbraw/zinc/45/10/08/556451008.db2.gz QSWMBKPTUNMUIU-SANMLTNESA-N 0 0 442.559 4.968 50 0 IJAARN Cc1cc2nc(Oc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c3ccccc3n2n1 ZINC000013063086 556451768 /nfs/dbraw/zinc/45/17/68/556451768.db2.gz BOXWQHBDAQCZEG-UHFFFAOYSA-N 0 0 444.516 4.808 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000028304749 556451807 /nfs/dbraw/zinc/45/18/07/556451807.db2.gz MGVICXHAAPIZJS-OAQYLSRUSA-N 0 0 446.595 4.768 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000013071474 556453463 /nfs/dbraw/zinc/45/34/63/556453463.db2.gz AXLVBEFAAXZYRE-OAQYLSRUSA-N 0 0 446.638 4.636 50 0 IJAARN Brc1ccccc1-c1nnc(CSc2nnc(Cc3ccccc3)o2)o1 ZINC000028624520 556457319 /nfs/dbraw/zinc/45/73/19/556457319.db2.gz ARPJJBGSKYLCKY-UHFFFAOYSA-N 0 0 429.299 4.765 50 0 IJAARN COC(=O)c1ccc(COc2ccc([C@@H]3C[C@H](c4ccccc4)Nc4ncnn43)cc2)cc1 ZINC000013097409 556458312 /nfs/dbraw/zinc/45/83/12/556458312.db2.gz MIOVSTFUOCAKEG-RPWUZVMVSA-N 0 0 440.503 4.790 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1)c1ccc[nH]1 ZINC000028678242 556458708 /nfs/dbraw/zinc/45/87/08/556458708.db2.gz JXAACBVVZDELQK-UHFFFAOYSA-N 0 0 430.320 4.939 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000013102115 556461007 /nfs/dbraw/zinc/46/10/07/556461007.db2.gz ATBVZQHUNCLCQZ-UHFFFAOYSA-N 0 0 428.492 4.984 50 0 IJAARN COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)cc1Cl ZINC000013108782 556462324 /nfs/dbraw/zinc/46/23/24/556462324.db2.gz LZUPAUOPJWERRH-QGZVFWFLSA-N 0 0 439.737 4.504 50 0 IJAARN CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000014958197 556463074 /nfs/dbraw/zinc/46/30/74/556463074.db2.gz VYZZCIMXMREIOD-RRPNLBNLSA-N 0 0 436.571 4.624 50 0 IJAARN CN(CCOc1ccc(Br)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000013110238 556464299 /nfs/dbraw/zinc/46/42/99/556464299.db2.gz GUBNMNBRCHQWLQ-UHFFFAOYSA-N 0 0 440.341 4.663 50 0 IJAARN CCCCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013112461 556464918 /nfs/dbraw/zinc/46/49/18/556464918.db2.gz HDWAHCHMSQFAOG-GFCCVEGCSA-N 0 0 435.475 4.542 50 0 IJAARN Cc1sc2[nH]c(CN(C)Cc3ccc4c(c3)OCO4)nc(=O)c2c1-c1ccc(C)cc1 ZINC000013112973 556466213 /nfs/dbraw/zinc/46/62/13/556466213.db2.gz MOKFTGKLOCCULP-UHFFFAOYSA-N 0 0 433.533 4.629 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccc(OC)cc1 ZINC000013112982 556466231 /nfs/dbraw/zinc/46/62/31/556466231.db2.gz KEFWOKCAQOPUPN-XUZZJYLKSA-N 0 0 438.572 4.725 50 0 IJAARN COCCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C ZINC000013114608 556467043 /nfs/dbraw/zinc/46/70/43/556467043.db2.gz CZWFTWWUKVTRPI-UHFFFAOYSA-N 0 0 442.560 4.849 50 0 IJAARN COc1cc(NC(=O)CC[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976089 556468802 /nfs/dbraw/zinc/46/88/02/556468802.db2.gz IKPUNUXUXKUODR-QGZVFWFLSA-N 0 0 430.570 4.599 50 0 IJAARN COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc(OC)c1 ZINC000014976086 556468971 /nfs/dbraw/zinc/46/89/71/556468971.db2.gz IKPUNUXUXKUODR-KRWDZBQOSA-N 0 0 430.570 4.599 50 0 IJAARN CCCCCCn1nc(C(=O)Nc2ccc(OC)c(OC(F)F)c2)c2ccccc2c1=O ZINC000029198289 556469921 /nfs/dbraw/zinc/46/99/21/556469921.db2.gz AIGKBMYEKSREDS-UHFFFAOYSA-N 0 0 445.466 4.839 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000013117488 556470136 /nfs/dbraw/zinc/47/01/36/556470136.db2.gz IOMHYRMSAMFXDF-UHFFFAOYSA-N 0 0 441.560 4.608 50 0 IJAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000029266270 556471287 /nfs/dbraw/zinc/47/12/87/556471287.db2.gz WVIQXIUTGJNTDC-QFIPXVFZSA-N 0 0 446.576 4.903 50 0 IJAARN O=C(CSc1nnc(NCc2ccco2)s1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000013120983 556473623 /nfs/dbraw/zinc/47/36/23/556473623.db2.gz RJCANLNREJFKHJ-UHFFFAOYSA-N 0 0 447.542 4.737 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000013124635 556475188 /nfs/dbraw/zinc/47/51/88/556475188.db2.gz JFUSFBAGOHIRKT-MGPUTAFESA-N 0 0 431.558 4.763 50 0 IJAARN O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029477607 556476050 /nfs/dbraw/zinc/47/60/50/556476050.db2.gz CDHPQRIQXGFXPB-VWLOTQADSA-N 0 0 438.955 4.662 50 0 IJAARN CN(C(=O)CSc1ncnc2ccccc21)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000013128613 556478180 /nfs/dbraw/zinc/47/81/80/556478180.db2.gz UELHLXFRKBHBIF-QHCPKHFHSA-N 0 0 439.968 4.872 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2C)c(C)n1Cc1cccs1 ZINC000013129005 556478857 /nfs/dbraw/zinc/47/88/57/556478857.db2.gz DKUOEWQXXWBPQY-UHFFFAOYSA-N 0 0 426.567 4.887 50 0 IJAARN C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000032874003 556481904 /nfs/dbraw/zinc/48/19/04/556481904.db2.gz WKOVCRJAWYHGAG-OAHLLOKOSA-N 0 0 428.583 4.963 50 0 IJAARN C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000032874004 556481912 /nfs/dbraw/zinc/48/19/12/556481912.db2.gz WKOVCRJAWYHGAG-HNNXBMFYSA-N 0 0 428.583 4.963 50 0 IJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4nnc(C5CC5)s4)cc3)ccc12 ZINC000013135089 556483090 /nfs/dbraw/zinc/48/30/90/556483090.db2.gz BPTHENFQKJMFMJ-UHFFFAOYSA-N 0 0 433.489 4.662 50 0 IJAARN Cc1nc2cc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2n1-c1ccccc1 ZINC000029819459 556483552 /nfs/dbraw/zinc/48/35/52/556483552.db2.gz GVIUHLQJDFQPAX-KRWDZBQOSA-N 0 0 447.560 4.571 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000013141037 556486041 /nfs/dbraw/zinc/48/60/41/556486041.db2.gz LACQZDHSECDRJG-UHFFFAOYSA-N 0 0 432.505 4.520 50 0 IJAARN CSCc1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)o1 ZINC000029917794 556486478 /nfs/dbraw/zinc/48/64/78/556486478.db2.gz MVWHFLNFGJINHD-INIZCTEOSA-N 0 0 429.592 4.905 50 0 IJAARN O=C(Cc1cn2ccccc2n1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000029955850 556487337 /nfs/dbraw/zinc/48/73/37/556487337.db2.gz ZYYJNZQQLIYCIH-JOCHJYFZSA-N 0 0 449.436 4.678 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000030011819 556488867 /nfs/dbraw/zinc/48/88/67/556488867.db2.gz SVPDGJTZGNJYID-CQSZACIVSA-N 0 0 444.915 4.871 50 0 IJAARN Cc1nc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c32)sc1CC(N)=O ZINC000032871918 556489792 /nfs/dbraw/zinc/48/97/92/556489792.db2.gz COWDJYHJLPWXOL-UHFFFAOYSA-N 0 0 432.621 4.981 50 0 IJAARN CCc1ccc(C(=O)CSc2nnc(CN3CCCC3)n2Cc2ccccc2)s1 ZINC000013149572 556491363 /nfs/dbraw/zinc/49/13/63/556491363.db2.gz FXBNLPWIGFGBMA-UHFFFAOYSA-N 0 0 426.611 4.521 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3csc(C)n3)o2)c(C)n1Cc1ccccc1 ZINC000013150579 556492651 /nfs/dbraw/zinc/49/26/51/556492651.db2.gz VNQYKWUBLHLQMY-UHFFFAOYSA-N 0 0 438.578 4.867 50 0 IJAARN O=C(c1cccs1)N1CCC[C@H](C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000030300179 556492742 /nfs/dbraw/zinc/49/27/42/556492742.db2.gz BIDXFNHXIPBNHH-INIZCTEOSA-N 0 0 436.499 4.810 50 0 IJAARN Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1 ZINC000015068739 556494144 /nfs/dbraw/zinc/49/41/44/556494144.db2.gz CHOBBZRYMDCIPU-UHFFFAOYSA-N 0 0 430.552 4.630 50 0 IJAARN C[C@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1cccc(Br)c1 ZINC000030467781 556494701 /nfs/dbraw/zinc/49/47/01/556494701.db2.gz JXTPEAXLTZOGKY-HNNXBMFYSA-N 0 0 447.398 4.655 50 0 IJAARN COc1cccc(-c2nc(C(=O)Nc3ccnn3Cc3cccc(C)c3)cs2)c1OC ZINC000030526555 556496610 /nfs/dbraw/zinc/49/66/10/556496610.db2.gz YVQYKLYEXRSEOF-UHFFFAOYSA-N 0 0 434.521 4.633 50 0 IJAARN C[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)c2C(N)=O)C1 ZINC000013321895 556502796 /nfs/dbraw/zinc/50/27/96/556502796.db2.gz GQDMGQXULCBDOE-AWEZNQCLSA-N 0 0 442.544 4.834 50 0 IJAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)CC1 ZINC000004554378 556503147 /nfs/dbraw/zinc/50/31/47/556503147.db2.gz COOHTSIQAMVKBX-QGZVFWFLSA-N 0 0 425.598 4.796 50 0 IJAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)sc2c1 ZINC000013513463 556510820 /nfs/dbraw/zinc/51/08/20/556510820.db2.gz AGEOPUGSIMDHCA-ZDUSSCGKSA-N 0 0 440.011 4.754 50 0 IJAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000015243482 556513238 /nfs/dbraw/zinc/51/32/38/556513238.db2.gz IJGPBZNDPZXSIP-UHFFFAOYSA-N 0 0 447.560 4.914 50 0 IJAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)c1C ZINC000013541237 556513527 /nfs/dbraw/zinc/51/35/27/556513527.db2.gz CWVDKIKMCRTNHB-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)c2C1 ZINC000030871448 556513827 /nfs/dbraw/zinc/51/38/27/556513827.db2.gz NEQHIZWGBNHJOD-KRWDZBQOSA-N 0 0 438.531 4.870 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000032895170 556514611 /nfs/dbraw/zinc/51/46/11/556514611.db2.gz NMTHOTCZJLDRSC-QHCPKHFHSA-N 0 0 445.515 4.677 50 0 IJAARN O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000030902137 556515055 /nfs/dbraw/zinc/51/50/55/556515055.db2.gz JJECUIOINRLWED-JOCHJYFZSA-N 0 0 444.922 4.849 50 0 IJAARN O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000015354704 556522516 /nfs/dbraw/zinc/52/25/16/556522516.db2.gz TTWWFGDBKCAKTB-HNNXBMFYSA-N 0 0 440.282 4.991 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SC)cc2)cc1 ZINC000015438852 556528184 /nfs/dbraw/zinc/52/81/84/556528184.db2.gz SBADLSAZBFIGOA-UHFFFAOYSA-N 0 0 442.562 4.860 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1 ZINC000015439252 556528234 /nfs/dbraw/zinc/52/82/34/556528234.db2.gz ZFQVZNRCGSBZQP-UHFFFAOYSA-N 0 0 442.562 4.617 50 0 IJAARN O=C(Nc1ccccc1-c1nnc2n1CCCCC2)c1cc(Br)ccc1F ZINC000032900655 556529882 /nfs/dbraw/zinc/52/98/82/556529882.db2.gz AXBMXWRYCOHENX-UHFFFAOYSA-N 0 0 429.293 4.825 50 0 IJAARN CN(CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)C(c1ccccc1)c1ccccc1 ZINC000032899407 556530724 /nfs/dbraw/zinc/53/07/24/556530724.db2.gz KZDBSKYEORNSJX-NDEPHWFRSA-N 0 0 439.559 4.621 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3ccc4c(c3)OCC(=O)N4)ccc2OC(F)F)cc1 ZINC000015602074 556537118 /nfs/dbraw/zinc/53/71/18/556537118.db2.gz XROQXFVRZZSTHN-UHFFFAOYSA-N 0 0 440.402 4.547 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CCCn1ccnc1)C3=O ZINC000015671137 556542295 /nfs/dbraw/zinc/54/22/95/556542295.db2.gz MYKBFNPYSCKSCN-QFIPXVFZSA-N 0 0 447.922 4.895 50 0 IJAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Nc3ccccc3)cc1)C2=O ZINC000032904325 556543607 /nfs/dbraw/zinc/54/36/07/556543607.db2.gz XROUXRXXNLMDFK-UHFFFAOYSA-N 0 0 448.567 4.896 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032904464 556543990 /nfs/dbraw/zinc/54/39/90/556543990.db2.gz XNVDBKSZRYFSGJ-UHFFFAOYSA-N 0 0 446.532 4.635 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032653816 556546307 /nfs/dbraw/zinc/54/63/07/556546307.db2.gz ACQOBEIAPVVRKD-CPNJWEJPSA-N 0 0 436.533 4.792 50 0 IJAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000032905570 556548903 /nfs/dbraw/zinc/54/89/03/556548903.db2.gz FUKHKVXZKLUAJP-UHFFFAOYSA-N 0 0 429.907 4.746 50 0 IJAARN COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 ZINC000015760129 556548912 /nfs/dbraw/zinc/54/89/12/556548912.db2.gz IDCARVCUIGSOSV-UHFFFAOYSA-N 0 0 449.454 4.548 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)c1 ZINC000015768511 556549566 /nfs/dbraw/zinc/54/95/66/556549566.db2.gz RLBXAOMBZAZBNR-XSFVSMFZSA-N 0 0 438.867 4.519 50 0 IJAARN COc1ccc(CCC(=O)N2CCN([C@@H](C)c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC000072304872 556549640 /nfs/dbraw/zinc/54/96/40/556549640.db2.gz CLSKDMGMMMSZGR-FQEVSTJZSA-N 0 0 432.564 4.695 50 0 IJAARN Cc1cc(C)c(NC(=O)CCn2cnc3onc(-c4ccccc4Cl)c3c2=O)c(C)c1 ZINC000032933719 556549749 /nfs/dbraw/zinc/54/97/49/556549749.db2.gz RUWCSCWJDGJBKN-UHFFFAOYSA-N 0 0 436.899 4.659 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000015769025 556549943 /nfs/dbraw/zinc/54/99/43/556549943.db2.gz XTDMLEUSOQOUKW-UHFFFAOYSA-N 0 0 436.899 4.717 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1 ZINC000015768819 556549954 /nfs/dbraw/zinc/54/99/54/556549954.db2.gz BYJKIBMXUMKCPU-UHFFFAOYSA-N 0 0 432.586 4.640 50 0 IJAARN COc1cc(Nc2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)cc(OC)c1 ZINC000015779023 556551121 /nfs/dbraw/zinc/55/11/21/556551121.db2.gz FUIBBPAPGFCJII-UHFFFAOYSA-N 0 0 434.540 4.583 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997220 556551128 /nfs/dbraw/zinc/55/11/28/556551128.db2.gz UWTJBPWCBIBCBN-HXUWFJFHSA-N 0 0 428.464 4.763 50 0 IJAARN CCOc1ccc([C@H]2Oc3nc(SCC)nnc3-c3cc(C)ccc3N2C(C)=O)cc1 ZINC000032997510 556551717 /nfs/dbraw/zinc/55/17/17/556551717.db2.gz UMMIRQGJGHFVRD-JOCHJYFZSA-N 0 0 436.537 4.802 50 0 IJAARN CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998245 556552270 /nfs/dbraw/zinc/55/22/70/556552270.db2.gz KPMUHLNKVAFHCC-FQEVSTJZSA-N 0 0 442.928 4.757 50 0 IJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccccc1OC ZINC000032998157 556552290 /nfs/dbraw/zinc/55/22/90/556552290.db2.gz YNIUYEYOKBQTOE-FQEVSTJZSA-N 0 0 442.928 4.757 50 0 IJAARN COc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000015800303 556552756 /nfs/dbraw/zinc/55/27/56/556552756.db2.gz JJVOVSWPBYINDC-WQRHYEAKSA-N 0 0 433.913 4.747 50 0 IJAARN CN(Cc1cccc(NC(=O)c2ncoc2CCC(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000072305402 556552952 /nfs/dbraw/zinc/55/29/52/556552952.db2.gz FEISKRVAJQRXRL-UHFFFAOYSA-N 0 0 427.423 4.789 50 0 IJAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000015800656 556553036 /nfs/dbraw/zinc/55/30/36/556553036.db2.gz ZDOWBZGJCCDNSI-WQRHYEAKSA-N 0 0 432.929 4.562 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000015800531 556553049 /nfs/dbraw/zinc/55/30/49/556553049.db2.gz HOXKBCIQCNWXFR-QNGOZBTKSA-N 0 0 440.565 4.979 50 0 IJAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)c(C)c4)C3)c2c1C ZINC000032959996 556554083 /nfs/dbraw/zinc/55/40/83/556554083.db2.gz KVFNDXNXAPYUEZ-HNNXBMFYSA-N 0 0 443.345 4.766 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN3C[C@H](C)C(=O)N(C)c4ccccc43)cc2)cc1 ZINC000072305661 556554289 /nfs/dbraw/zinc/55/42/89/556554289.db2.gz KIBATBZHDHJDMM-SFHVURJKSA-N 0 0 429.520 4.567 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1 ZINC000033274504 556558413 /nfs/dbraw/zinc/55/84/13/556558413.db2.gz XRTUWWAYLHTLJO-UHFFFAOYSA-N 0 0 428.598 4.634 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccc(F)cc1 ZINC000015881930 556560511 /nfs/dbraw/zinc/56/05/11/556560511.db2.gz CQGDELQSVOUTEZ-UHFFFAOYSA-N 0 0 427.892 4.581 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1Cl ZINC000015881916 556560529 /nfs/dbraw/zinc/56/05/29/556560529.db2.gz ZKAWYXJFICNMPN-UHFFFAOYSA-N 0 0 437.956 4.674 50 0 IJAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O ZINC000015922059 556564248 /nfs/dbraw/zinc/56/42/48/556564248.db2.gz SNGYHZGKJRJNMV-FQEVSTJZSA-N 0 0 438.531 4.528 50 0 IJAARN CC(C)n1nccc1NC(=O)CN1CCC[C@H]1c1nc(-c2ccccc2C(F)(F)F)c[nH]1 ZINC000072308668 556565623 /nfs/dbraw/zinc/56/56/23/556565623.db2.gz AQBPXPMYRKAIOW-SFHVURJKSA-N 0 0 446.477 4.649 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4coc(-c5ccc(F)cc5)n4)C3=O)ccc2c1 ZINC000032909053 556567105 /nfs/dbraw/zinc/56/71/05/556567105.db2.gz NOLVXLIJHFESIW-VWLOTQADSA-N 0 0 445.450 4.610 50 0 IJAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000015982827 556571242 /nfs/dbraw/zinc/57/12/42/556571242.db2.gz MSIQYRDMUYUYIV-DEOSSOPVSA-N 0 0 446.572 4.513 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 ZINC000000713858 556573035 /nfs/dbraw/zinc/57/30/35/556573035.db2.gz FKBYSQDBMUWMRL-XMMPIXPASA-N 0 0 427.504 4.953 50 0 IJAARN C[C@@H](CC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)NC(=O)C1CCCC1 ZINC000072310824 556576984 /nfs/dbraw/zinc/57/69/84/556576984.db2.gz KWJCPHTVEHUYSK-MEDUHNTESA-N 0 0 425.369 4.937 50 0 IJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000072309867 556577644 /nfs/dbraw/zinc/57/76/44/556577644.db2.gz UNBJLCGNFYZGSO-KNQAVFIVSA-N 0 0 443.975 4.846 50 0 IJAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O ZINC000016044334 556578683 /nfs/dbraw/zinc/57/86/83/556578683.db2.gz CBDBCENRZFJGFL-XMMPIXPASA-N 0 0 445.991 4.601 50 0 IJAARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000016044074 556578688 /nfs/dbraw/zinc/57/86/88/556578688.db2.gz KMYHCCPCCQRBNA-UHFFFAOYSA-N 0 0 445.515 4.917 50 0 IJAARN NC(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc32)n1-c1ccccc1 ZINC000016046075 556579876 /nfs/dbraw/zinc/57/98/76/556579876.db2.gz ZERIMHHIOWHFHA-UHFFFAOYSA-N 0 0 437.528 4.727 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C ZINC000034687443 556580962 /nfs/dbraw/zinc/58/09/62/556580962.db2.gz UJXHMWBWBXEYSW-LRSLUSHPSA-N 0 0 448.950 4.779 50 0 IJAARN CCO[C@H]1C[C@H](NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)C12CCCCC2 ZINC000072311487 556585091 /nfs/dbraw/zinc/58/50/91/556585091.db2.gz KBVFPSVMNKQEIV-DQEYMECFSA-N 0 0 448.607 4.936 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)c1 ZINC000032969023 556588055 /nfs/dbraw/zinc/58/80/55/556588055.db2.gz CCXMLBXQBWOQTG-UHFFFAOYSA-N 0 0 447.459 4.925 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000032975186 556598462 /nfs/dbraw/zinc/59/84/62/556598462.db2.gz FWYUIHAUQGBOLD-UHFFFAOYSA-N 0 0 430.867 4.949 50 0 IJAARN O=C(Nc1ccc(Br)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016345944 556601376 /nfs/dbraw/zinc/60/13/76/556601376.db2.gz MMPQIBUCTVRXFI-QPJJXVBHSA-N 0 0 434.765 4.965 50 0 IJAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000016361622 556602659 /nfs/dbraw/zinc/60/26/59/556602659.db2.gz BUTBJTBZJATRNS-HSZRJFAPSA-N 0 0 431.467 4.671 50 0 IJAARN COc1ccc(CCNC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1OC ZINC000032985644 556605239 /nfs/dbraw/zinc/60/52/39/556605239.db2.gz WRVWRDFMRYZTSH-UHFFFAOYSA-N 0 0 442.515 4.657 50 0 biogenic IJAARN Fc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1 ZINC000016429854 556607282 /nfs/dbraw/zinc/60/72/82/556607282.db2.gz KYUUUAJFQYPYOD-UHFFFAOYSA-N 0 0 443.191 4.980 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1 ZINC000016447551 556608095 /nfs/dbraw/zinc/60/80/95/556608095.db2.gz QLRPFFAIWMVYTO-UHFFFAOYSA-N 0 0 449.595 4.810 50 0 IJAARN CN(C)c1cccc(-c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)c1 ZINC000071889788 556608399 /nfs/dbraw/zinc/60/83/99/556608399.db2.gz ZOAIHGYSRGBBFN-UHFFFAOYSA-N 0 0 428.330 4.662 50 0 IJAARN CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 ZINC000038486559 556612886 /nfs/dbraw/zinc/61/28/86/556612886.db2.gz IFDHACYQYIFWTC-UHFFFAOYSA-N 0 0 425.510 4.625 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3COc3ccccc3)sc2c1 ZINC000016678057 556622912 /nfs/dbraw/zinc/62/29/12/556622912.db2.gz WSETVWRQCPALPS-UHFFFAOYSA-N 0 0 438.530 4.531 50 0 IJAARN COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCCC4)cc3)n2)cc1 ZINC000032998850 556626469 /nfs/dbraw/zinc/62/64/69/556626469.db2.gz MEBUJSGFZVUVPW-UHFFFAOYSA-N 0 0 449.576 4.845 50 0 IJAARN COc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(F)cc4)ccc3=O)cc2)cc1 ZINC000032998799 556626493 /nfs/dbraw/zinc/62/64/93/556626493.db2.gz IELRQPPHWJXUKR-UHFFFAOYSA-N 0 0 447.491 4.784 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)n2)cc1 ZINC000032999014 556627359 /nfs/dbraw/zinc/62/73/59/556627359.db2.gz IRWVCXBZYJHCSV-UHFFFAOYSA-N 0 0 441.556 4.931 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1CCc1ccccc1 ZINC000016736099 556633386 /nfs/dbraw/zinc/63/33/86/556633386.db2.gz IAXICQCEKLXTLD-JOCHJYFZSA-N 0 0 431.875 4.940 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000097938696 556634944 /nfs/dbraw/zinc/63/49/44/556634944.db2.gz AIPHMXASEIRBBI-FQEVSTJZSA-N 0 0 427.508 4.894 50 0 IJAARN CN(C(=O)Cn1c2ccccc2n2c1nc(-c1cccc(Cl)c1)cc2=O)c1ccccc1 ZINC000040484906 556644036 /nfs/dbraw/zinc/64/40/36/556644036.db2.gz CNTHOZBHDDIMJK-UHFFFAOYSA-N 0 0 442.906 4.633 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037603712 556645448 /nfs/dbraw/zinc/64/54/48/556645448.db2.gz KCUAXXYGIRZEBZ-RPWUZVMVSA-N 0 0 440.559 4.638 50 0 IJAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ccn3n2)cc1C ZINC000016842757 556646385 /nfs/dbraw/zinc/64/63/85/556646385.db2.gz HHPHJXVUMVDVCC-UHFFFAOYSA-N 0 0 431.883 4.532 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602387 556646672 /nfs/dbraw/zinc/64/66/72/556646672.db2.gz GOILSACNRANAOR-BCHFMIIMSA-N 0 0 446.547 4.556 50 0 IJAARN Cc1ccc(-c2csc3c2nc(SCC(=O)N(C)c2ccccc2)n(C)c3=O)cc1 ZINC000016846076 556647067 /nfs/dbraw/zinc/64/70/67/556647067.db2.gz CCZUTOJLXHZNAR-UHFFFAOYSA-N 0 0 435.574 4.726 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000016847019 556647356 /nfs/dbraw/zinc/64/73/56/556647356.db2.gz BUGQGVCWLUTIIR-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1Cl ZINC000038486977 556647618 /nfs/dbraw/zinc/64/76/18/556647618.db2.gz RSQJDUURGBBHJV-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 ZINC000016884223 556647995 /nfs/dbraw/zinc/64/79/95/556647995.db2.gz SCSUYEGWYNTKIG-SFHVURJKSA-N 0 0 432.520 4.738 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)c2ccccc12 ZINC000011750480 556650347 /nfs/dbraw/zinc/65/03/47/556650347.db2.gz TXUWFBRMZRQYGB-UHFFFAOYSA-N 0 0 442.559 4.549 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)cc1 ZINC000011758572 556653200 /nfs/dbraw/zinc/65/32/00/556653200.db2.gz HUIOFFOSEBYUBE-UHFFFAOYSA-N 0 0 432.553 4.592 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2)cc1C ZINC000011765259 556654414 /nfs/dbraw/zinc/65/44/14/556654414.db2.gz BOGFCPYSAWXZMX-NRFANRHFSA-N 0 0 446.016 4.739 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248027730 556657508 /nfs/dbraw/zinc/65/75/08/556657508.db2.gz SOMIDSIHUPUOAD-AEFFLSMTSA-N 0 0 433.257 4.541 50 0 IJAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000017094879 556658129 /nfs/dbraw/zinc/65/81/29/556658129.db2.gz NXFBQFIEOKWSAO-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017095777 556659240 /nfs/dbraw/zinc/65/92/40/556659240.db2.gz QYJYWICXAQERTP-KRWDZBQOSA-N 0 0 428.454 4.975 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(C)ccc3[nH]1)CCCCC2 ZINC000017096629 556660494 /nfs/dbraw/zinc/66/04/94/556660494.db2.gz JGABCSFHWAWXNJ-UHFFFAOYSA-N 0 0 429.567 4.719 50 0 IJAARN CCC[C@H](Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1 ZINC000043024000 556660791 /nfs/dbraw/zinc/66/07/91/556660791.db2.gz MTJHLONVHHPNSI-IBGZPJMESA-N 0 0 434.544 4.950 50 0 in-man IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000017097124 556661183 /nfs/dbraw/zinc/66/11/83/556661183.db2.gz GJGZOEOQXFOBHQ-CQSZACIVSA-N 0 0 430.570 4.658 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000017097279 556661432 /nfs/dbraw/zinc/66/14/32/556661432.db2.gz YVXDIRXBUWMYHY-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CCCc2ccccc2)n1 ZINC000011854803 556661686 /nfs/dbraw/zinc/66/16/86/556661686.db2.gz FAHYSPNYKKCTNY-UHFFFAOYSA-N 0 0 447.564 4.598 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(-c3noc(-c4ccccc4C)n3)cc2OC)cc1 ZINC000033013115 556662360 /nfs/dbraw/zinc/66/23/60/556662360.db2.gz VHKUWSUYSWHNLX-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000033013230 556662609 /nfs/dbraw/zinc/66/26/09/556662609.db2.gz REMLYLUYGGEIPZ-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C)n(Cc2ccccc2F)n1 ZINC000017098946 556663710 /nfs/dbraw/zinc/66/37/10/556663710.db2.gz KPMOQHKJRRYUCU-UHFFFAOYSA-N 0 0 434.519 4.793 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013453 556664034 /nfs/dbraw/zinc/66/40/34/556664034.db2.gz DYWMBLLIAUYHJK-UHFFFAOYSA-N 0 0 427.526 4.902 50 0 IJAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011867385 556664957 /nfs/dbraw/zinc/66/49/57/556664957.db2.gz XIGKVZCRLXIALM-MRXNPFEDSA-N 0 0 435.904 4.534 50 0 IJAARN Cc1c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000013514140 556667200 /nfs/dbraw/zinc/66/72/00/556667200.db2.gz WGMBASUMUYNVHD-NRFANRHFSA-N 0 0 449.503 4.762 50 0 IJAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000011886231 556668304 /nfs/dbraw/zinc/66/83/04/556668304.db2.gz CORRKBXMZLGAJO-FQEVSTJZSA-N 0 0 430.574 4.736 50 0 IJAARN COc1ccc([C@H](NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000248143701 556668851 /nfs/dbraw/zinc/66/88/51/556668851.db2.gz DCMKUKOOWBVXTO-BKMJKUGQSA-N 0 0 438.568 4.507 50 0 IJAARN COc1ccccc1NC(=O)c1nc(SCc2ccccc2)ncc1Br ZINC000011916309 556673227 /nfs/dbraw/zinc/67/32/27/556673227.db2.gz OREAHLVEGVMBRW-UHFFFAOYSA-N 0 0 430.327 4.792 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 ZINC000017987767 556680981 /nfs/dbraw/zinc/68/09/81/556680981.db2.gz XXQCUJZVTCHZED-FSPWUOQZSA-N 0 0 426.900 4.527 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000010624227 556681526 /nfs/dbraw/zinc/68/15/26/556681526.db2.gz OENRNMGIZILCCE-UHFFFAOYSA-N 0 0 445.972 4.868 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000010629199 556683079 /nfs/dbraw/zinc/68/30/79/556683079.db2.gz GKXWNHKJVFMEPI-HNNXBMFYSA-N 0 0 440.750 4.505 50 0 IJAARN CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC ZINC000018106505 556684156 /nfs/dbraw/zinc/68/41/56/556684156.db2.gz FZZFVPLLCPFSKZ-QFIPXVFZSA-N 0 0 439.581 4.696 50 0 IJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000002053952 556686225 /nfs/dbraw/zinc/68/62/25/556686225.db2.gz QOOHRCMKUAGYPT-LFVJCYFKSA-N 0 0 426.516 4.967 50 0 IJAARN O=C(COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 ZINC000018243937 556687735 /nfs/dbraw/zinc/68/77/35/556687735.db2.gz XIAWKANNUUCSBD-IAGOWNOFSA-N 0 0 432.303 4.935 50 0 IJAARN CC(C)COC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018246892 556687880 /nfs/dbraw/zinc/68/78/80/556687880.db2.gz NBIZDFQEVMBBQY-TXFWVUOCSA-N 0 0 445.559 4.638 50 0 IJAARN CCN([C@H](c1ccc(Br)cc1)c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000072313066 556688180 /nfs/dbraw/zinc/68/81/80/556688180.db2.gz SZJJKOFKIZUJLS-HXUWFJFHSA-N 0 0 431.355 4.644 50 0 IJAARN CCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018247055 556688259 /nfs/dbraw/zinc/68/82/59/556688259.db2.gz VLVLARXXANXMPS-XIGIHCPSSA-N 0 0 437.495 4.650 50 0 IJAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c(C)n2n1 ZINC000046023849 556691123 /nfs/dbraw/zinc/69/11/23/556691123.db2.gz MGLBNVICRJMHRX-UHFFFAOYSA-N 0 0 439.441 4.917 50 0 IJAARN Cc1ccccc1N=c1oc2c(Br)cc(Br)cc2cc1C(N)=O ZINC000252666429 556693476 /nfs/dbraw/zinc/69/34/76/556693476.db2.gz BMBUMGJGXCMZIK-UHFFFAOYSA-N 0 0 436.103 4.598 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000137819506 556698353 /nfs/dbraw/zinc/69/83/53/556698353.db2.gz LSSSCLSZTSZTQM-RBZQAINGSA-N 0 0 441.462 4.667 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccc(Cl)cc1 ZINC000013609460 556702557 /nfs/dbraw/zinc/70/25/57/556702557.db2.gz WCUOFPDUYJZKGE-IYBDPMFKSA-N 0 0 441.959 4.899 50 0 IJAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000049694340 556707532 /nfs/dbraw/zinc/70/75/32/556707532.db2.gz WKXLGUFCTCLKMT-UHFFFAOYSA-N 0 0 438.531 4.769 50 0 IJAARN O=S(=O)(Cc1ccc(Br)cc1F)NC(c1ccccc1)c1ccccc1 ZINC000072318864 556709342 /nfs/dbraw/zinc/70/93/42/556709342.db2.gz QSKVSJRJCHEOAS-UHFFFAOYSA-N 0 0 434.330 4.797 50 0 IJAARN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)Nc1ccccc1Br ZINC000033031598 556711074 /nfs/dbraw/zinc/71/10/74/556711074.db2.gz KXLSEKBSBKUJMI-UHFFFAOYSA-N 0 0 442.288 4.575 50 0 IJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696207 556711887 /nfs/dbraw/zinc/71/18/87/556711887.db2.gz YAYNNXWRIYVAST-UHFFFAOYSA-N 0 0 426.563 4.704 50 0 IJAARN CCOCCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035409 556717637 /nfs/dbraw/zinc/71/76/37/556717637.db2.gz BHNHIULAPMPUFH-HXUWFJFHSA-N 0 0 443.975 4.908 50 0 IJAARN Cc1cc(C)cc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000033893108 556721988 /nfs/dbraw/zinc/72/19/88/556721988.db2.gz QSDOSUXWHMMORJ-JLPGSUDCSA-N 0 0 442.540 4.532 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038134 556723969 /nfs/dbraw/zinc/72/39/69/556723969.db2.gz ZFCSGZGQXZEMTH-UHFFFAOYSA-N 0 0 447.922 4.747 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)cc(F)c4)nccn3n2)cc1 ZINC000072328562 556726163 /nfs/dbraw/zinc/72/61/63/556726163.db2.gz GVPJQIPFFZNPFI-UHFFFAOYSA-N 0 0 440.475 4.804 50 0 IJAARN COc1cccc(-c2nc(CN3CCN(c4ccccc4Cl)CC3)c(C)o2)c1OC ZINC000055153825 556736191 /nfs/dbraw/zinc/73/61/91/556736191.db2.gz QHZOYTAGBGRBGC-UHFFFAOYSA-N 0 0 427.932 4.643 50 0 IJAARN COC(=O)C1[C@H](c2ccccc2)C(C(=O)Oc2ccc(C(C)=O)cc2)[C@H]1c1ccccc1 ZINC000000897502 556741275 /nfs/dbraw/zinc/74/12/75/556741275.db2.gz MLSOATJMJZPCMT-HHLXFHKQSA-N 0 0 428.484 4.781 50 0 IJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000055539403 556741776 /nfs/dbraw/zinc/74/17/76/556741776.db2.gz DTJQWSVXKZOPDN-UHFFFAOYSA-N 0 0 449.938 4.643 50 0 IJAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000005236251 556746696 /nfs/dbraw/zinc/74/66/96/556746696.db2.gz UIFRPENUNBJPJG-UHFFFAOYSA-N 0 0 427.497 4.618 50 0 IJAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058084225 556756955 /nfs/dbraw/zinc/75/69/55/556756955.db2.gz MYHJVYKBPYHLLR-SFHVURJKSA-N 0 0 438.531 4.617 50 0 IJAARN CCOc1c(Br)cc(F)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058102689 556758185 /nfs/dbraw/zinc/75/81/85/556758185.db2.gz ASKHDLZGSLJJSI-UHFFFAOYSA-N 0 0 446.320 4.971 50 0 IJAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 ZINC000058159592 556763841 /nfs/dbraw/zinc/76/38/41/556763841.db2.gz VKOXVGBZIOCXHQ-UHFFFAOYSA-N 0 0 440.758 4.610 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ncccc2c1)c1ccccc1 ZINC000058159692 556764145 /nfs/dbraw/zinc/76/41/45/556764145.db2.gz NAVCJCFGBMBIHF-GOSISDBHSA-N 0 0 425.488 4.743 50 0 IJAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1nc(C)c(C)s1)COC2=O ZINC000062001708 556764567 /nfs/dbraw/zinc/76/45/67/556764567.db2.gz MVWKIEITVGCDOT-KPKJPENVSA-N 0 0 444.553 4.664 50 0 biogenic IJAARN O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1sc2ccccc2c1Cl ZINC000062022979 556766632 /nfs/dbraw/zinc/76/66/32/556766632.db2.gz USEGMQRTWGPAMJ-LBPRGKRZSA-N 0 0 438.896 4.711 50 0 IJAARN CCc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccc(F)c2)cc1 ZINC000058171272 556768240 /nfs/dbraw/zinc/76/82/40/556768240.db2.gz CDNSFURZMGJEGQ-AREMUKBSSA-N 0 0 445.538 4.598 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@@H](C)COCC(F)(F)F ZINC000058175587 556769419 /nfs/dbraw/zinc/76/94/19/556769419.db2.gz VRVFTSGUZIWQPL-NSHDSACASA-N 0 0 431.252 4.517 50 0 IJAARN O=C(Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)c1cccs1 ZINC000058289448 556777522 /nfs/dbraw/zinc/77/75/22/556777522.db2.gz PSDUUTWXTHBRGQ-HXUWFJFHSA-N 0 0 436.537 4.609 50 0 IJAARN COc1ccccc1CN(C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000058342530 556781895 /nfs/dbraw/zinc/78/18/95/556781895.db2.gz YLXGGDAMAYCZBW-CALCHBBNSA-N 0 0 427.520 4.644 50 0 IJAARN CC1CCN(C(=O)[C@H](NC(=O)Nc2ccccc2Br)c2ccccc2)CC1 ZINC000058363086 556782977 /nfs/dbraw/zinc/78/29/77/556782977.db2.gz OSKMBXLIHRVPQN-LJQANCHMSA-N 0 0 430.346 4.570 50 0 IJAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cccc2[nH]ccc21 ZINC000058393481 556785166 /nfs/dbraw/zinc/78/51/66/556785166.db2.gz ZOPWIPZLIPNBHF-UHFFFAOYSA-N 0 0 439.471 4.615 50 0 IJAARN CCS(=O)(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000058404020 556785690 /nfs/dbraw/zinc/78/56/90/556785690.db2.gz DTYJJHTUSVIYKE-UHFFFAOYSA-N 0 0 431.583 4.652 50 0 IJAARN Cc1nc(C)c([C@H](C)NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)s1 ZINC000058406490 556785852 /nfs/dbraw/zinc/78/58/52/556785852.db2.gz HLNPYIFGQNSXCQ-HNNXBMFYSA-N 0 0 427.595 4.816 50 0 IJAARN CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058448478 556789252 /nfs/dbraw/zinc/78/92/52/556789252.db2.gz RPGHBXFCZCAHEA-OAQYLSRUSA-N 0 0 429.564 4.902 50 0 IJAARN COc1ccc(-n2c(/C=C\c3ccc(F)cc3)nc3cc(OC)c(OC)cc3c2=O)cc1 ZINC000034138703 556791040 /nfs/dbraw/zinc/79/10/40/556791040.db2.gz IIYIVQUPRIQYBJ-MLPAPPSSSA-N 0 0 432.451 4.721 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000011195294 556798030 /nfs/dbraw/zinc/79/80/30/556798030.db2.gz CVMQDFDIQFIZAQ-KWJFTMPMSA-N 0 0 445.560 4.601 50 0 IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)c12 ZINC000002112946 556799016 /nfs/dbraw/zinc/79/90/16/556799016.db2.gz SWOZHASTTGNWIZ-UHFFFAOYSA-N 0 0 443.540 4.900 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cccc(Cl)c3)c2)cc1 ZINC000002617051 556800269 /nfs/dbraw/zinc/80/02/69/556800269.db2.gz SRWSSSZFWQAJJK-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1OCC ZINC000002634004 556801323 /nfs/dbraw/zinc/80/13/23/556801323.db2.gz JMJZYFPGJRULPK-UHFFFAOYSA-N 0 0 438.446 4.592 50 0 IJAARN CCc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 ZINC000003187892 556804145 /nfs/dbraw/zinc/80/41/45/556804145.db2.gz KHGONJVUNIQSIW-XMMPIXPASA-N 0 0 448.588 4.620 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3ccccc31)C[C@@H](C)CC2 ZINC000003244815 556804720 /nfs/dbraw/zinc/80/47/20/556804720.db2.gz PKJNXLTWKZIGLX-ZDUSSCGKSA-N 0 0 441.578 4.724 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000003274683 556807867 /nfs/dbraw/zinc/80/78/67/556807867.db2.gz ZKAODVWUNKPAGF-UHFFFAOYSA-N 0 0 437.613 4.985 50 0 IJAARN CSCC[C@@H](C(=O)Oc1ccccc1Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003316124 556809864 /nfs/dbraw/zinc/80/98/64/556809864.db2.gz BWERKPAGCQOYFX-QFIPXVFZSA-N 0 0 445.540 4.601 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1Cl ZINC000003296089 556810965 /nfs/dbraw/zinc/81/09/65/556810965.db2.gz GTSUMIWEOUZEFW-UHFFFAOYSA-N 0 0 429.977 4.649 50 0 IJAARN CC(C)CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000011208600 556813928 /nfs/dbraw/zinc/81/39/28/556813928.db2.gz BETVOYAEQWCUHT-UHFFFAOYSA-N 0 0 429.973 4.505 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033061426 556816991 /nfs/dbraw/zinc/81/69/91/556816991.db2.gz HCMPYWXTUAMAMS-UHFFFAOYSA-N 0 0 435.336 4.977 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000005493236 556818680 /nfs/dbraw/zinc/81/86/80/556818680.db2.gz QIBNWTPIJPLNAK-XPWALMASSA-N 0 0 447.000 4.949 50 0 IJAARN COc1cc(OC)c(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1Cl ZINC000033064063 556818804 /nfs/dbraw/zinc/81/88/04/556818804.db2.gz DNVFJFQIBVFYJS-UHFFFAOYSA-N 0 0 446.956 4.687 50 0 IJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)c(OC)cc3OC)cc(=O)c2c1 ZINC000033064289 556819112 /nfs/dbraw/zinc/81/91/12/556819112.db2.gz PBMTUQICFAUCBH-UHFFFAOYSA-N 0 0 446.956 4.633 50 0 IJAARN Cc1cccc(OCc2nnc(SCc3cc(=O)c4c(C)ccc(C)c4[nH]3)n2C)c1C ZINC000033067693 556819487 /nfs/dbraw/zinc/81/94/87/556819487.db2.gz QYONWNUNSXBWHD-UHFFFAOYSA-N 0 0 434.565 4.762 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)nc12 ZINC000033067896 556820058 /nfs/dbraw/zinc/82/00/58/556820058.db2.gz KIQZASPPCIXPGS-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccccc4Cl)cc3)cc(=O)n2c1 ZINC000033068177 556820947 /nfs/dbraw/zinc/82/09/47/556820947.db2.gz OQLWQLKLFRDBTL-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN COc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2OC)c1 ZINC000033068656 556828847 /nfs/dbraw/zinc/82/88/47/556828847.db2.gz QTSTWTCIRNGDCQ-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN CCCCCNC(=O)[C@H]1CCCN(c2nccn3nc(-c4ccccc4Cl)cc23)C1 ZINC000064958879 556829765 /nfs/dbraw/zinc/82/97/65/556829765.db2.gz BQUVQBANZIRCED-KRWDZBQOSA-N 0 0 425.964 4.573 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCN(c2cc(C)nc(Nc3ccc(C)cc3)n2)CC1 ZINC000065364776 556835603 /nfs/dbraw/zinc/83/56/03/556835603.db2.gz HJKCGNSWCMSGHI-UHFFFAOYSA-N 0 0 446.555 4.508 50 0 IJAARN CCCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O ZINC000008708808 556843021 /nfs/dbraw/zinc/84/30/21/556843021.db2.gz OXYHLUDWONLWCL-AWEZNQCLSA-N 0 0 447.601 4.984 50 0 IJAARN O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2cc(Cl)c3c(c2)OCCO3)s1 ZINC000096793929 556845675 /nfs/dbraw/zinc/84/56/75/556845675.db2.gz IUULWQXBAXQKMX-DHDCSXOGSA-N 0 0 448.331 4.630 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 ZINC000096817088 556846741 /nfs/dbraw/zinc/84/67/41/556846741.db2.gz OHPCUENWADITSE-ZROIWOOFSA-N 0 0 436.515 4.854 50 0 IJAARN CCc1cccc(NC(=O)C2CCN(c3c(NC(C)=O)c(C)nn3-c3ccccc3)CC2)c1 ZINC000033069290 556850697 /nfs/dbraw/zinc/85/06/97/556850697.db2.gz QKTMVKMOTGATET-UHFFFAOYSA-N 0 0 445.567 4.557 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1ccc(-c2ccccc2)cc1 ZINC000008924506 556851369 /nfs/dbraw/zinc/85/13/69/556851369.db2.gz VPECAMSSUAZDFT-KRWDZBQOSA-N 0 0 429.549 4.514 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)c1 ZINC000033072691 556852311 /nfs/dbraw/zinc/85/23/11/556852311.db2.gz MOQAEPXENYRUDL-UHFFFAOYSA-N 0 0 426.520 4.952 50 0 IJAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000033073615 556852644 /nfs/dbraw/zinc/85/26/44/556852644.db2.gz NQRIOMFPMSRFOR-UHFFFAOYSA-N 0 0 444.535 4.506 50 0 IJAARN COc1cc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCC4)c3c2C)cc1Cl ZINC000033078906 556853882 /nfs/dbraw/zinc/85/38/82/556853882.db2.gz ZONPKHLVUPKOPH-UHFFFAOYSA-N 0 0 446.960 4.831 50 0 IJAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1C ZINC000033088388 556856425 /nfs/dbraw/zinc/85/64/25/556856425.db2.gz YJFRBCXGVZWFDH-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1C ZINC000033113481 556860378 /nfs/dbraw/zinc/86/03/78/556860378.db2.gz LCMUVGICCWQRBP-QGZVFWFLSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1C ZINC000033114098 556860904 /nfs/dbraw/zinc/86/09/04/556860904.db2.gz UXTHCNBAEPHQFL-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2=O)cc1 ZINC000033128325 556865601 /nfs/dbraw/zinc/86/56/01/556865601.db2.gz COQQPRGWVTURKT-AWEZNQCLSA-N 0 0 449.454 4.559 50 0 IJAARN C[C@H](NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccccc1 ZINC000004672555 556867729 /nfs/dbraw/zinc/86/77/29/556867729.db2.gz GISHOONZGQHWIX-SFHVURJKSA-N 0 0 427.589 4.712 50 0 IJAARN CCCCN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000004672942 556868046 /nfs/dbraw/zinc/86/80/46/556868046.db2.gz NIZPAIJNUVEJFE-XMMPIXPASA-N 0 0 430.589 4.719 50 0 IJAARN O=C(NCCc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130035 556868168 /nfs/dbraw/zinc/86/81/68/556868168.db2.gz FRRFEMWHTCFIOW-UHFFFAOYSA-N 0 0 448.588 4.501 50 0 IJAARN COc1cc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc(OC)c1OC ZINC000033129596 556868775 /nfs/dbraw/zinc/86/87/75/556868775.db2.gz BOQOTBXEIMCMLG-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3nccc(Oc4ccccc4OC)n3)c2)cc1 ZINC000033130546 556870564 /nfs/dbraw/zinc/87/05/64/556870564.db2.gz JLPXRBOLNLNJHG-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCCc3ccccc3)c2)nn1 ZINC000033131034 556871311 /nfs/dbraw/zinc/87/13/11/556871311.db2.gz YTPBEQCKWLQRJG-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN COc1ccc2c(C)c(C(=O)N[C@@H]3CCCN(c4ccc(C(F)(F)F)cn4)C3)oc2c1 ZINC000019720357 556876031 /nfs/dbraw/zinc/87/60/31/556876031.db2.gz IYDQLDLBCHLEFL-OAHLLOKOSA-N 0 0 433.430 4.562 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(Cl)c3)c2cc1OC ZINC000033172754 556883058 /nfs/dbraw/zinc/88/30/58/556883058.db2.gz ZCNUEDIYESIUII-UHFFFAOYSA-N 0 0 428.901 4.513 50 0 IJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)NCc3ccccc3Br)c2c1 ZINC000033172570 556883077 /nfs/dbraw/zinc/88/30/77/556883077.db2.gz DWDWSIYQTYAPIL-UHFFFAOYSA-N 0 0 441.354 4.591 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1 ZINC000033173817 556883992 /nfs/dbraw/zinc/88/39/92/556883992.db2.gz KMZMWHKZDDQQET-UHFFFAOYSA-N 0 0 431.461 4.665 50 0 IJAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170760 556886335 /nfs/dbraw/zinc/88/63/35/556886335.db2.gz VIIOBCSOJKBJIS-UHFFFAOYSA-N 0 0 440.906 4.982 50 0 IJAARN CCOc1cc(CNC(=O)c2sc(-c3cccn3C)nc2C)cc(OCC)c1OCC ZINC000033170703 556886377 /nfs/dbraw/zinc/88/63/77/556886377.db2.gz AGLWIQBUTZWENM-UHFFFAOYSA-N 0 0 443.569 4.583 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1C ZINC000033249367 556889137 /nfs/dbraw/zinc/88/91/37/556889137.db2.gz RXQJWOMARPYKRF-UHFFFAOYSA-N 0 0 428.941 4.574 50 0 IJAARN CCN(CC)C(=O)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000033249464 556889279 /nfs/dbraw/zinc/88/92/79/556889279.db2.gz CVDSBSOUZITDBZ-UHFFFAOYSA-N 0 0 434.920 4.651 50 0 IJAARN COc1ccc(NC(=O)Cc2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 ZINC000033252331 556892930 /nfs/dbraw/zinc/89/29/30/556892930.db2.gz XTSZQUGQCJMKEQ-UHFFFAOYSA-N 0 0 430.533 4.749 50 0 IJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 ZINC000016042366 556893099 /nfs/dbraw/zinc/89/30/99/556893099.db2.gz PBJHDZYMWMUFHK-OAQYLSRUSA-N 0 0 437.492 4.575 50 0 IJAARN Cc1ccc(CNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000033255145 556894841 /nfs/dbraw/zinc/89/48/41/556894841.db2.gz QZPJDSXVVFZXPV-UHFFFAOYSA-N 0 0 439.515 4.825 50 0 IJAARN COc1ccccc1OCCNC(=O)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000033257031 556895456 /nfs/dbraw/zinc/89/54/56/556895456.db2.gz XVUXHVJXCRWTJX-UHFFFAOYSA-N 0 0 440.503 4.705 50 0 IJAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c(Cl)c1 ZINC000033258440 556896192 /nfs/dbraw/zinc/89/61/92/556896192.db2.gz GMIOYAYXYPFXRW-UHFFFAOYSA-N 0 0 438.915 4.725 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)cc1 ZINC000033261225 556898779 /nfs/dbraw/zinc/89/87/79/556898779.db2.gz DXRRCGQJOCEQPS-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN COc1ccc(CNC(=O)CSCc2ccc(-c3nc(-c4ccccc4)no3)o2)cc1 ZINC000033262402 556900662 /nfs/dbraw/zinc/90/06/62/556900662.db2.gz WOPRQYBXJGWQCV-UHFFFAOYSA-N 0 0 435.505 4.555 50 0 IJAARN COC(=O)C[C@H](N[C@H]1c2ccccc2C(=O)N1[C@@H](C)c1ccccc1)c1cccc(F)c1 ZINC000019808927 556918614 /nfs/dbraw/zinc/91/86/14/556918614.db2.gz NXBINCCJBLFLIN-DQXHVOOISA-N 0 0 432.495 4.935 50 0 IJAARN COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC(C)C)cc1 ZINC000019833806 556927405 /nfs/dbraw/zinc/92/74/05/556927405.db2.gz KXKQUROHTCDZPZ-STZFKDTASA-N 0 0 438.911 4.904 50 0 IJAARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4ccncc4)CC3)C2=O)cc1 ZINC000019890277 556939211 /nfs/dbraw/zinc/93/92/11/556939211.db2.gz OPHPOHLALVXDPA-DEOSSOPVSA-N 0 0 435.568 4.552 50 0 IJAARN CCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911091 556943140 /nfs/dbraw/zinc/94/31/40/556943140.db2.gz BTOWTBYGJOPQJP-UHFFFAOYSA-N 0 0 426.345 4.702 50 0 IJAARN c1ccc(-c2nc3sc4c(ncnc4NCCN4CCOCC4)c3c3c2CCCC3)cc1 ZINC000019940189 556953584 /nfs/dbraw/zinc/95/35/84/556953584.db2.gz MPKBFKCNOXLRJW-UHFFFAOYSA-N 0 0 445.592 4.529 50 0 IJAARN O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)Nc1ccc(F)cc1 ZINC000033265130 556975045 /nfs/dbraw/zinc/97/50/45/556975045.db2.gz FFXPKWBEOBKASS-UHFFFAOYSA-N 0 0 446.507 4.995 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)c1 ZINC000033265098 556975074 /nfs/dbraw/zinc/97/50/74/556975074.db2.gz WJQZUROSLSJINR-UHFFFAOYSA-N 0 0 442.972 4.786 50 0 IJAARN COC(=O)CCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CCCC3 ZINC000033265484 556975720 /nfs/dbraw/zinc/97/57/20/556975720.db2.gz LUIOBAMZOYOYGG-HSZRJFAPSA-N 0 0 449.576 4.595 50 0 IJAARN CCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000020096572 556979786 /nfs/dbraw/zinc/97/97/86/556979786.db2.gz HECDSKZGBKOSRV-UHFFFAOYSA-N 0 0 439.987 4.849 50 0 IJAARN COc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c(OC)c1 ZINC000033267881 556982337 /nfs/dbraw/zinc/98/23/37/556982337.db2.gz IWSCFAYWTJUBTN-FQEVSTJZSA-N 0 0 430.508 4.544 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000033269044 556987323 /nfs/dbraw/zinc/98/73/23/556987323.db2.gz OJYIACVICFIUDS-QGZVFWFLSA-N 0 0 446.576 4.725 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC[C@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097123325 556990843 /nfs/dbraw/zinc/99/08/43/556990843.db2.gz GOXQSHVIVHMCJV-KRWDZBQOSA-N 0 0 437.297 4.541 50 0 IJAARN FC(F)(F)C1(NC2(C(Cl)(Cl)Cl)Oc3ccccc3O2)Oc2ccccc2O1 ZINC000020168744 556994530 /nfs/dbraw/zinc/99/45/30/556994530.db2.gz PKCFLMVSGZIILT-UHFFFAOYSA-N 0 0 442.604 4.759 50 0 IJAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)c1ccc(OC)c(Br)c1 ZINC000011243096 556997088 /nfs/dbraw/zinc/99/70/88/556997088.db2.gz QUOWASQXGFIYEA-UHFFFAOYSA-N 0 0 447.281 4.780 50 0 IJAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000077351967 556998926 /nfs/dbraw/zinc/99/89/26/556998926.db2.gz IKJJLXBFQRNKTR-HXUWFJFHSA-N 0 0 442.519 4.931 50 0 IJAARN CC1(C)[C@@]2(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC[C@]1(C)C(=O)C2 ZINC000020256137 557003763 /nfs/dbraw/zinc/00/37/63/557003763.db2.gz AMVZYPJVGACDLQ-IZLXSDGUSA-N 0 0 430.592 4.706 50 0 IJAARN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000020353723 557009714 /nfs/dbraw/zinc/00/97/14/557009714.db2.gz HKSROTLDPPOMIJ-FQEVSTJZSA-N 0 0 437.883 4.608 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCCC2)c2ccccc23)cc1 ZINC000020355970 557010044 /nfs/dbraw/zinc/01/00/44/557010044.db2.gz QLKPHBPDTYUXGR-UHFFFAOYSA-N 0 0 449.580 4.614 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127060 557011868 /nfs/dbraw/zinc/01/18/68/557011868.db2.gz NROIRTDIZHCGLE-UHFFFAOYSA-N 0 0 439.537 4.840 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c(C)c1 ZINC000045994484 557014613 /nfs/dbraw/zinc/01/46/13/557014613.db2.gz ABZIVGNRFHNERW-UHFFFAOYSA-N 0 0 439.515 4.899 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2cc(Cl)ccc2O3)cc1 ZINC000045994502 557014804 /nfs/dbraw/zinc/01/48/04/557014804.db2.gz IDYUWVDJGQNKOP-UHFFFAOYSA-N 0 0 445.906 4.936 50 0 IJAARN CCCCc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 ZINC000020421495 557015088 /nfs/dbraw/zinc/01/50/88/557015088.db2.gz LKZALYJYDXTEFW-UHFFFAOYSA-N 0 0 434.506 4.512 50 0 IJAARN CCOc1ccc(/C=C\C(=O)N(Cc2ccoc2C(=O)OC)[C@H](C)c2ccccn2)cc1 ZINC000097295162 557015774 /nfs/dbraw/zinc/01/57/74/557015774.db2.gz SAKQRQISHITVCX-ADYSOMBNSA-N 0 0 434.492 4.663 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc3C)cc1 ZINC000045990611 557016393 /nfs/dbraw/zinc/01/63/93/557016393.db2.gz PCPWQFBXIYIOKP-UHFFFAOYSA-N 0 0 442.519 4.820 50 0 IJAARN CCCCNC(=O)COc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(CC)cc3)c2n1 ZINC000045991306 557017098 /nfs/dbraw/zinc/01/70/98/557017098.db2.gz VTFAVPAGNLDJJD-UHFFFAOYSA-N 0 0 434.462 4.605 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)NCc1ccc(C)cc1)cc2-c1ccccc1 ZINC000045992299 557017993 /nfs/dbraw/zinc/01/79/93/557017993.db2.gz CAHLDOKJHUCYEW-IBGZPJMESA-N 0 0 428.536 4.819 50 0 IJAARN CCc1cc(OCC(=O)Nc2cccc(OC)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017164 557020460 /nfs/dbraw/zinc/02/04/60/557020460.db2.gz XXMDFEKDOYTDBN-UHFFFAOYSA-N 0 0 430.508 4.626 50 0 IJAARN COc1cc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc(OC)c1 ZINC000046022926 557022972 /nfs/dbraw/zinc/02/29/72/557022972.db2.gz AFDVGZRARDREII-UHFFFAOYSA-N 0 0 435.915 4.618 50 0 IJAARN COc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000023143053 557025056 /nfs/dbraw/zinc/02/50/56/557025056.db2.gz WWDGCAHUIATCLO-AWEZNQCLSA-N 0 0 446.429 4.619 50 0 IJAARN Fc1ccc([C@H](CNc2ncnc3sc4c(c32)CCCCC4)N2CCOCC2)cc1 ZINC000021742370 557026150 /nfs/dbraw/zinc/02/61/50/557026150.db2.gz JZBDKFXXHTXLPE-IBGZPJMESA-N 0 0 426.561 4.585 50 0 IJAARN CC[C@@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046059040 557029719 /nfs/dbraw/zinc/02/97/19/557029719.db2.gz LOYJIUZNSZIHQU-MRXNPFEDSA-N 0 0 430.595 4.953 50 0 IJAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3ccccc3Cl)cc1C(=O)N2 ZINC000046077594 557033310 /nfs/dbraw/zinc/03/33/10/557033310.db2.gz HVGLJVOWSJKCEW-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CS(=O)(=O)c1ccc2nc(N(Cc3ccco3)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010835922 557033879 /nfs/dbraw/zinc/03/38/79/557033879.db2.gz QTOUWDWOOLZAOH-RMKNXTFCSA-N 0 0 444.559 4.601 50 0 IJAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O ZINC000046079415 557034375 /nfs/dbraw/zinc/03/43/75/557034375.db2.gz UILGULXKJLIHLK-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)Nc3ccc(CCO)cc3)cc2)C1=O ZINC000046079438 557034442 /nfs/dbraw/zinc/03/44/42/557034442.db2.gz OEBXXFSBVHWEMT-UHFFFAOYSA-N 0 0 443.547 4.614 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4ccccc4F)C3=O)cc2)c1 ZINC000046079622 557034589 /nfs/dbraw/zinc/03/45/89/557034589.db2.gz STFYRWBXJNAGDH-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046122771 557036536 /nfs/dbraw/zinc/03/65/36/557036536.db2.gz PYXKDKSCZQIRGG-INIZCTEOSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)s1 ZINC000046123262 557036894 /nfs/dbraw/zinc/03/68/94/557036894.db2.gz JXFRVONJACHICM-ZDUSSCGKSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000017191334 557037194 /nfs/dbraw/zinc/03/71/94/557037194.db2.gz OHVCISLXPLWGKJ-UHFFFAOYSA-N 0 0 442.540 4.839 50 0 IJAARN O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1nnc(C2CCCCC2)s1 ZINC000017208956 557038726 /nfs/dbraw/zinc/03/87/26/557038726.db2.gz XYDZEXUGRYAWAU-UHFFFAOYSA-N 0 0 426.464 4.962 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1cc2ccccc2oc1=O ZINC000017201119 557040541 /nfs/dbraw/zinc/04/05/41/557040541.db2.gz OIRUHRKSBZVFNV-UHFFFAOYSA-N 0 0 430.485 4.700 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)OCc1cccc2cccnc21 ZINC000010865492 557043928 /nfs/dbraw/zinc/04/39/28/557043928.db2.gz BQEQSSQCXRANNP-QGZVFWFLSA-N 0 0 432.423 4.800 50 0 IJAARN CCOc1c(Br)cc(C(=O)NCc2coc(-c3cccs3)n2)cc1OC ZINC000010871003 557044531 /nfs/dbraw/zinc/04/45/31/557044531.db2.gz FIUFYSQAEIAETO-UHFFFAOYSA-N 0 0 437.315 4.503 50 0 IJAARN CC(C)Oc1ccccc1-c1nn2c(ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c2=O)o1 ZINC000033271236 557048917 /nfs/dbraw/zinc/04/89/17/557048917.db2.gz XAMDUGLJCKBMND-UHFFFAOYSA-N 0 0 446.507 4.687 50 0 IJAARN CN1c2ccc(C(=O)Nc3ccccc3Br)cc2-c2ccccc2S1(=O)=O ZINC000033271858 557050020 /nfs/dbraw/zinc/05/00/20/557050020.db2.gz CIRZEVYFAZJNIH-UHFFFAOYSA-N 0 0 443.322 4.507 50 0 IJAARN Cc1sc2[nH]c(CN3CCN(Cc4ccccc4)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022933666 557051231 /nfs/dbraw/zinc/05/12/31/557051231.db2.gz OPPHGKHIUJVVHN-UHFFFAOYSA-N 0 0 444.604 4.586 50 0 IJAARN Cc1sc2nc(-c3cnn4c3nccc4C(F)(F)F)[nH]c(=O)c2c1-c1ccc(F)cc1 ZINC000048274170 557051571 /nfs/dbraw/zinc/05/15/71/557051571.db2.gz WRJAWHALWYKCII-UHFFFAOYSA-N 0 0 445.401 4.828 50 0 IJAARN CC(=O)Nc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC000082039318 557056505 /nfs/dbraw/zinc/05/65/05/557056505.db2.gz AOPLDTRJAXAWAF-DEOSSOPVSA-N 0 0 444.535 4.826 50 0 IJAARN CCOc1c(Br)cc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1OC ZINC000048303899 557058748 /nfs/dbraw/zinc/05/87/48/557058748.db2.gz GKXBQFGNQQVEEI-UHFFFAOYSA-N 0 0 426.257 4.728 50 0 IJAARN CCN(CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1c(F)cccc1F ZINC000048308591 557059518 /nfs/dbraw/zinc/05/95/18/557059518.db2.gz HFIQFLTZKZLGFO-UHFFFAOYSA-N 0 0 430.282 4.561 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2c(C)cc(C)cc2C)c3=O)cc1 ZINC000033277734 557059522 /nfs/dbraw/zinc/05/95/22/557059522.db2.gz GHPOYXVNOCBYQJ-UHFFFAOYSA-N 0 0 430.508 4.568 50 0 IJAARN O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000033278915 557060823 /nfs/dbraw/zinc/06/08/23/557060823.db2.gz MYPNLYHBMQGQNW-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CC[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000033282251 557067791 /nfs/dbraw/zinc/06/77/91/557067791.db2.gz OBXUCVHPMIUNEY-DHIUTWEWSA-N 0 0 447.604 4.654 50 0 IJAARN CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3Br)c2)on1 ZINC000033290286 557068627 /nfs/dbraw/zinc/06/86/27/557068627.db2.gz ULDCBNUEUSGUAO-UHFFFAOYSA-N 0 0 427.345 4.837 50 0 IJAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cncc(Br)c1 ZINC000048340622 557070499 /nfs/dbraw/zinc/07/04/99/557070499.db2.gz LQKZFEKVMXGCOC-UHFFFAOYSA-N 0 0 426.101 4.648 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(-c4nnnn4C)c3)o2)cc1 ZINC000023182046 557070950 /nfs/dbraw/zinc/07/09/50/557070950.db2.gz FLCRDSSHACGJDB-UHFFFAOYSA-N 0 0 436.475 4.760 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C)s2)n1 ZINC000033289974 557071760 /nfs/dbraw/zinc/07/17/60/557071760.db2.gz BSTGCFYTFBRTEF-INIZCTEOSA-N 0 0 447.651 4.696 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)NCCCN3CCCc4ccccc43)c(C)s2)n1 ZINC000033290016 557071935 /nfs/dbraw/zinc/07/19/35/557071935.db2.gz PAEAMAAJHQEMPR-UHFFFAOYSA-N 0 0 447.651 4.610 50 0 IJAARN O=C(CCN1C(=O)COc2ccccc21)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000023199878 557072965 /nfs/dbraw/zinc/07/29/65/557072965.db2.gz ZUKGZABIQKDZED-SANMLTNESA-N 0 0 446.572 4.648 50 0 IJAARN COc1cc(C(=O)OCC(=O)c2oc3ccccc3c2C)cc(OC)c1Br ZINC000023229462 557075382 /nfs/dbraw/zinc/07/53/82/557075382.db2.gz PEGARKMJAXSXRP-UHFFFAOYSA-N 0 0 433.254 4.561 50 0 IJAARN CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)N[C@H](c2cc(OC)ccc2OC)[C@@H]1C ZINC000005952191 557083048 /nfs/dbraw/zinc/08/30/48/557083048.db2.gz GIMAZQRNBHQQHN-KAYCVPKSSA-N 0 0 429.557 4.664 50 0 IJAARN Cc1cccc(-n2cc(CN3CCN(C(=O)c4ccco4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000023338749 557085159 /nfs/dbraw/zinc/08/51/59/557085159.db2.gz JHKNBUGGXWGMDD-UHFFFAOYSA-N 0 0 444.510 4.538 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(N2CCCC2)n1 ZINC000049028102 557088373 /nfs/dbraw/zinc/08/83/73/557088373.db2.gz NCLUREKXXWVVLM-UHFFFAOYSA-N 0 0 446.511 4.544 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(C)cc4)nc3C)n[nH]2)c(OC)c1 ZINC000049002344 557090111 /nfs/dbraw/zinc/09/01/11/557090111.db2.gz WEUSFZZLTUVIDL-UHFFFAOYSA-N 0 0 448.548 4.764 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 ZINC000049002908 557090732 /nfs/dbraw/zinc/09/07/32/557090732.db2.gz DRMYVIWTRGVGGP-UHFFFAOYSA-N 0 0 426.307 4.985 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)ncn2)cc1 ZINC000049401921 557097343 /nfs/dbraw/zinc/09/73/43/557097343.db2.gz XYYBTSNWTKQTOZ-UHFFFAOYSA-N 0 0 434.515 4.503 50 0 IJAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000017579136 557098469 /nfs/dbraw/zinc/09/84/69/557098469.db2.gz BXSJGJWPFYIETO-FQEVSTJZSA-N 0 0 429.473 4.656 50 0 IJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)cc1C ZINC000033318590 557100104 /nfs/dbraw/zinc/10/01/04/557100104.db2.gz OLSDHDZUARXSCJ-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN CC(C)c1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404995 557100141 /nfs/dbraw/zinc/10/01/41/557100141.db2.gz VOQBHNSTPFOULV-UHFFFAOYSA-N 0 0 440.956 4.902 50 0 IJAARN CC(=O)N(c1nc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)cs1)c1ccccc1 ZINC000023634725 557101782 /nfs/dbraw/zinc/10/17/82/557101782.db2.gz WQFWGAYPCGJYKQ-UHFFFAOYSA-N 0 0 446.532 4.987 50 0 IJAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000023641318 557102144 /nfs/dbraw/zinc/10/21/44/557102144.db2.gz WXPHJRJZUWQUIM-WDBUWWRISA-N 0 0 441.524 4.594 50 0 IJAARN O=C(CSc1ncccc1-c1nc(-c2cccs2)no1)NCc1cccc(Cl)c1 ZINC000049407028 557102604 /nfs/dbraw/zinc/10/26/04/557102604.db2.gz DNRFIFCVLHEJBC-UHFFFAOYSA-N 0 0 442.953 4.922 50 0 IJAARN CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1 ZINC000033326732 557108594 /nfs/dbraw/zinc/10/85/94/557108594.db2.gz WGKRLAIQBGGEOD-UHFFFAOYSA-N 0 0 432.528 4.572 50 0 IJAARN CCOc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)cc1 ZINC000049421962 557109005 /nfs/dbraw/zinc/10/90/05/557109005.db2.gz KIRSJGYFHFOGHU-UHFFFAOYSA-N 0 0 440.503 4.835 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033328909 557112816 /nfs/dbraw/zinc/11/28/16/557112816.db2.gz QBOQQDPRZOXYBZ-UHFFFAOYSA-N 0 0 445.504 4.667 50 0 IJAARN CC(=O)Nc1ccc2c(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc(=O)oc2c1 ZINC000049579013 557113508 /nfs/dbraw/zinc/11/35/08/557113508.db2.gz KBADPJSQTVNUOY-UHFFFAOYSA-N 0 0 431.419 4.701 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000011370300 557114989 /nfs/dbraw/zinc/11/49/89/557114989.db2.gz YMGDGUPCIFLPMT-SKGSIYHRSA-N 0 0 445.563 4.679 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccncc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049611688 557115518 /nfs/dbraw/zinc/11/55/18/557115518.db2.gz OZNQCXIUBUATLY-SHQCIBLASA-N 0 0 449.554 4.993 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000001124712 557118931 /nfs/dbraw/zinc/11/89/31/557118931.db2.gz NOSASNJEPORHCJ-UHFFFAOYSA-N 0 0 447.276 4.912 50 0 IJAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c1 ZINC000023882837 557123591 /nfs/dbraw/zinc/12/35/91/557123591.db2.gz PYQOJXKNDOZUNW-UHFFFAOYSA-N 0 0 440.927 4.575 50 0 IJAARN O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1 ZINC000023882586 557123595 /nfs/dbraw/zinc/12/35/95/557123595.db2.gz LNZGWQUHFLVTEP-UHFFFAOYSA-N 0 0 428.561 4.589 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)cc1OC ZINC000018466978 557124524 /nfs/dbraw/zinc/12/45/24/557124524.db2.gz NATUCOBMOBJWNP-LLVKDONJSA-N 0 0 434.518 4.557 50 0 IJAARN CC(C)(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000001250691 557126016 /nfs/dbraw/zinc/12/60/16/557126016.db2.gz SEBBIJBINXISCD-UHFFFAOYSA-N 0 0 431.359 4.799 50 0 IJAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000023945904 557126952 /nfs/dbraw/zinc/12/69/52/557126952.db2.gz DVVCLEQCPIEMEH-QGZVFWFLSA-N 0 0 440.617 4.846 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000017897288 557127625 /nfs/dbraw/zinc/12/76/25/557127625.db2.gz KIBYERDEXQOPHZ-UHFFFAOYSA-N 0 0 432.933 4.583 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)c(C)c1 ZINC000000655546 557129489 /nfs/dbraw/zinc/12/94/89/557129489.db2.gz IEHIVPKTQXNLAP-QHCPKHFHSA-N 0 0 445.416 4.939 50 0 IJAARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000024030865 557132664 /nfs/dbraw/zinc/13/26/64/557132664.db2.gz JTTJMJQAGOYYBR-CYBMUJFWSA-N 0 0 445.338 4.950 50 0 IJAARN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000676555 557134057 /nfs/dbraw/zinc/13/40/57/557134057.db2.gz FGVOKBGAZKFSGQ-UHFFFAOYSA-N 0 0 436.368 4.948 50 0 IJAARN COc1cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC ZINC000002981776 557134428 /nfs/dbraw/zinc/13/44/28/557134428.db2.gz CPSHHICPRUBBDB-UHFFFAOYSA-N 0 0 448.850 4.511 50 0 IJAARN CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Br)c1OCCc1ccccc1 ZINC000000679173 557134581 /nfs/dbraw/zinc/13/45/81/557134581.db2.gz UMVJPVVUEXPRTM-PDGQHHTCSA-N 0 0 430.298 4.785 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([C@@H](C)CC)cc3)cc2)CC1 ZINC000000679708 557134582 /nfs/dbraw/zinc/13/45/82/557134582.db2.gz FBGBQOZFLVIWBU-FQEVSTJZSA-N 0 0 437.584 4.666 50 0 IJAARN COc1ccc(O[C@H](C(=O)O[C@@H]2C(=O)N(c3ccccc3)CC2(C)C)c2ccccc2)cc1 ZINC000000688155 557135838 /nfs/dbraw/zinc/13/58/38/557135838.db2.gz ZLLKQFMSZOXQPQ-BJKOFHAPSA-N 0 0 445.515 4.800 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000003121887 557136659 /nfs/dbraw/zinc/13/66/59/557136659.db2.gz KDVUKPVQKAFBHT-CQSZACIVSA-N 0 0 432.760 4.596 50 0 IJAARN O=C([C@H](Sc1nnc(COc2ccc(F)cc2)o1)c1ccccc1)N1CCCCC1 ZINC000024107705 557137682 /nfs/dbraw/zinc/13/76/82/557137682.db2.gz OAPCAYUPYCRTQL-HXUWFJFHSA-N 0 0 427.501 4.634 50 0 IJAARN Cc1c(C(=O)Nc2cc3c(cc2Br)OCCO3)cnn1-c1cccc(Cl)c1 ZINC000024785774 557139349 /nfs/dbraw/zinc/13/93/49/557139349.db2.gz SAXVSJNFRAFZTI-UHFFFAOYSA-N 0 0 448.704 4.620 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)cc1 ZINC000011424343 557146232 /nfs/dbraw/zinc/14/62/32/557146232.db2.gz HCODEKAWKCLQBN-UHFFFAOYSA-N 0 0 441.601 4.563 50 0 IJAARN CC(=O)Nc1ccc(C(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000016399844 557150364 /nfs/dbraw/zinc/15/03/64/557150364.db2.gz LYGGDNYLEYRJEI-UHFFFAOYSA-N 0 0 435.530 4.585 50 0 IJAARN O=C(Nc1ccc(I)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000006457316 557151483 /nfs/dbraw/zinc/15/14/83/557151483.db2.gz VTUGRNXEXARMLH-UHFFFAOYSA-N 0 0 430.245 4.518 50 0 IJAARN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608512 557153889 /nfs/dbraw/zinc/15/38/89/557153889.db2.gz BOTBDJXLWQMVKJ-UHFFFAOYSA-N 0 0 442.968 4.674 50 0 IJAARN Cc1ccc(NC(=O)c2cc(C3CC3)on2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000024618830 557155997 /nfs/dbraw/zinc/15/59/97/557155997.db2.gz WKKSYUYTJJTSNA-UHFFFAOYSA-N 0 0 431.901 4.567 50 0 IJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 ZINC000024777083 557167013 /nfs/dbraw/zinc/16/70/13/557167013.db2.gz CEQPLZKMHDZRGI-IBGZPJMESA-N 0 0 448.466 4.776 50 0 IJAARN COc1ccccc1CN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1cccs1 ZINC000024816727 557168695 /nfs/dbraw/zinc/16/86/95/557168695.db2.gz KIZGPOVSDSXNFL-SFHVURJKSA-N 0 0 449.576 4.523 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc(Br)c1 ZINC000014738952 557169531 /nfs/dbraw/zinc/16/95/31/557169531.db2.gz LKSHEBOLMDGGJO-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 ZINC000024837059 557172334 /nfs/dbraw/zinc/17/23/34/557172334.db2.gz ZMSMFKHDOWZLLD-UHFFFAOYSA-N 0 0 434.525 4.737 50 0 IJAARN CC(C)c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1C1CC1 ZINC000024836316 557172342 /nfs/dbraw/zinc/17/23/42/557172342.db2.gz XRQDHAJSSUEOQU-QGZVFWFLSA-N 0 0 432.977 4.703 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)c(F)c1 ZINC000010965937 557175982 /nfs/dbraw/zinc/17/59/82/557175982.db2.gz NTILYAMMHYXDNT-UHFFFAOYSA-N 0 0 427.354 4.716 50 0 IJAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)Cc3ccco3)no2)c(C)c1 ZINC000096210845 557183302 /nfs/dbraw/zinc/18/33/02/557183302.db2.gz UTOMYYZUSVEONB-UHFFFAOYSA-N 0 0 449.551 4.905 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000024989340 557187332 /nfs/dbraw/zinc/18/73/32/557187332.db2.gz GJWNZHCJSYEVBX-DHIUTWEWSA-N 0 0 443.591 4.611 50 0 IJAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025042169 557190306 /nfs/dbraw/zinc/19/03/06/557190306.db2.gz QKKRLTTYRVEZEK-UHFFFAOYSA-N 0 0 434.849 4.711 50 0 IJAARN CCCc1noc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)n1 ZINC000025048392 557190933 /nfs/dbraw/zinc/19/09/33/557190933.db2.gz FNUWLWYFIVICJE-UHFFFAOYSA-N 0 0 442.566 4.606 50 0 IJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000025078151 557194565 /nfs/dbraw/zinc/19/45/65/557194565.db2.gz CTOZOBSQXHDOKY-UHFFFAOYSA-N 0 0 431.492 4.518 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000025147807 557196840 /nfs/dbraw/zinc/19/68/40/557196840.db2.gz KPVSERQLODJXHI-MRXNPFEDSA-N 0 0 433.455 4.867 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000060211847 557200070 /nfs/dbraw/zinc/20/00/70/557200070.db2.gz CJIPSAMPLWJGFW-UHFFFAOYSA-N 0 0 426.929 5.376 50 0 IJAARN CCOC(=O)C1=C(C)N(C)[C@@H]2C=CC(OC(=O)C(c3ccccc3)c3ccccc3)=C[C@H]12 ZINC000011565799 557200097 /nfs/dbraw/zinc/20/00/97/557200097.db2.gz IUPRIJXDPRTPLU-XZOQPEGZSA-N 0 0 429.516 4.583 50 0 IJAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000072235904 557200437 /nfs/dbraw/zinc/20/04/37/557200437.db2.gz HGRVICWHNSGCGR-UHFFFAOYSA-N 0 0 446.547 4.979 50 0 IJAARN O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000025256997 557201384 /nfs/dbraw/zinc/20/13/84/557201384.db2.gz NVXFZUQCZKHRRF-SFHVURJKSA-N 0 0 430.401 4.760 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000011571742 557202545 /nfs/dbraw/zinc/20/25/45/557202545.db2.gz FNDZPKGDANUGIS-VWLOTQADSA-N 0 0 427.548 4.575 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cc3nc(C4(c5ccc(C)cc5)CCCC4)no3)CC2)cc1 ZINC000096806826 557205518 /nfs/dbraw/zinc/20/55/18/557205518.db2.gz PHMGZVUNTXNRKA-UHFFFAOYSA-N 0 0 444.579 4.763 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)ccc2OC)cc1 ZINC000025347104 557205640 /nfs/dbraw/zinc/20/56/40/557205640.db2.gz DPGCYLYQFKVJKH-DEOSSOPVSA-N 0 0 446.503 4.741 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1 ZINC000025435166 557209629 /nfs/dbraw/zinc/20/96/29/557209629.db2.gz HWAGLLLZIORDNK-UHFFFAOYSA-N 0 0 427.407 4.972 50 0 IJAARN COc1ccc(-c2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1OC ZINC000025455131 557210412 /nfs/dbraw/zinc/21/04/12/557210412.db2.gz LOAQNDKVDXKUTN-JOCHJYFZSA-N 0 0 427.504 4.902 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)o2)s1 ZINC000025459406 557211256 /nfs/dbraw/zinc/21/12/56/557211256.db2.gz OANOHHZXEMSXCW-NSHDSACASA-N 0 0 432.596 4.820 50 0 IJAARN COc1ccc(N2C(=O)CC[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000169775866 557212090 /nfs/dbraw/zinc/21/20/90/557212090.db2.gz NIDHXYCNIMGZFS-NDOYXKHWSA-N 0 0 438.543 4.823 50 0 IJAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)ccc1Br ZINC000169780414 557212366 /nfs/dbraw/zinc/21/23/66/557212366.db2.gz QXKNZQSDGUIDCV-FQEVSTJZSA-N 0 0 442.357 4.802 50 0 IJAARN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000000797492 557212610 /nfs/dbraw/zinc/21/26/10/557212610.db2.gz NXDPOHIOSCJTFN-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN COc1ccc(/C=C2\N=C(SCCCCO)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000072242381 557215307 /nfs/dbraw/zinc/21/53/07/557215307.db2.gz ORIISAYYLTZDAJ-UYRXBGFRSA-N 0 0 446.956 4.607 50 0 IJAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1 ZINC000010632973 557224041 /nfs/dbraw/zinc/22/40/41/557224041.db2.gz OVJYHUKRGOBROG-UHFFFAOYSA-N 0 0 435.505 4.604 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000023320342 557231657 /nfs/dbraw/zinc/23/16/57/557231657.db2.gz MCCBLRUQJQLRNH-AREMUKBSSA-N 0 0 434.967 4.961 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000023320489 557231820 /nfs/dbraw/zinc/23/18/20/557231820.db2.gz ARHJLVJYPHECPI-CQSZACIVSA-N 0 0 431.319 4.810 50 0 IJAARN Cc1ccc([C@@H](c2ccccc2C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000072260008 557232494 /nfs/dbraw/zinc/23/24/94/557232494.db2.gz KABCTMMCQAWYKB-SANMLTNESA-N 0 0 434.605 4.708 50 0 IJAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1 ZINC000011693523 557232555 /nfs/dbraw/zinc/23/25/55/557232555.db2.gz KSWMIGYFKGZYGL-UHFFFAOYSA-N 0 0 430.361 4.815 50 0 IJAARN O=C(NCc1coc(-c2cccs2)n1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000026065846 557233222 /nfs/dbraw/zinc/23/32/22/557233222.db2.gz ABMMTLWAAOYJDA-UHFFFAOYSA-N 0 0 427.489 4.581 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000026063270 557233231 /nfs/dbraw/zinc/23/32/31/557233231.db2.gz CVDREOKXCNXQEC-UHFFFAOYSA-N 0 0 448.357 4.603 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000026089768 557233986 /nfs/dbraw/zinc/23/39/86/557233986.db2.gz VNFAZHZWQMHWOU-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000026089910 557234011 /nfs/dbraw/zinc/23/40/11/557234011.db2.gz QNYHGOUKYJLOGF-UHFFFAOYSA-N 0 0 427.938 4.831 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c2ccccc2S1 ZINC000032950219 557234529 /nfs/dbraw/zinc/23/45/29/557234529.db2.gz MOIFTPFGPCUUDZ-OAHLLOKOSA-N 0 0 440.594 4.806 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)c4ccccc34)sc2c1 ZINC000018077018 557235331 /nfs/dbraw/zinc/23/53/31/557235331.db2.gz JZYLPPSVRFDVKN-UHFFFAOYSA-N 0 0 446.937 4.524 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000026226776 557237729 /nfs/dbraw/zinc/23/77/29/557237729.db2.gz KSSTVCMRDKXUAY-INIZCTEOSA-N 0 0 439.566 4.615 50 0 IJAARN O=C(Nc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1)[C@@H]1CCCO1 ZINC000024928715 557240812 /nfs/dbraw/zinc/24/08/12/557240812.db2.gz LNJJLKVKNOEJBY-QHCPKHFHSA-N 0 0 434.561 4.751 50 0 IJAARN Brc1cccc(OCCSc2nnc([C@@H]3COc4ccccc4O3)o2)c1 ZINC000026436077 557241045 /nfs/dbraw/zinc/24/10/45/557241045.db2.gz LEFQLHJEDJUNPM-INIZCTEOSA-N 0 0 435.299 4.516 50 0 IJAARN Cc1nc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n(C2CCCCC2)c1C ZINC000024932897 557243880 /nfs/dbraw/zinc/24/38/80/557243880.db2.gz SMVVXERKSYUYSY-MRXNPFEDSA-N 0 0 435.615 4.740 50 0 IJAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1Br ZINC000024933724 557244622 /nfs/dbraw/zinc/24/46/22/557244622.db2.gz SBDYUPIHINFMJD-IBGZPJMESA-N 0 0 428.305 4.640 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000026675918 557246205 /nfs/dbraw/zinc/24/62/05/557246205.db2.gz AKAPPMGKUCZELV-JOCHJYFZSA-N 0 0 429.476 4.507 50 0 IJAARN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018191465 557246977 /nfs/dbraw/zinc/24/69/77/557246977.db2.gz JDGAMABBGGXDNF-BDTNDASRSA-N 0 0 434.492 4.599 50 0 IJAARN COc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c(OC)cc1Cl ZINC000026843854 557249485 /nfs/dbraw/zinc/24/94/85/557249485.db2.gz DXTORQSNEVUSPD-UHFFFAOYSA-N 0 0 448.711 4.980 50 0 IJAARN CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000027015647 557253841 /nfs/dbraw/zinc/25/38/41/557253841.db2.gz GUXHSSDEXOEKQB-ZWOKBUDYSA-N 0 0 440.849 4.567 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000027131551 557257564 /nfs/dbraw/zinc/25/75/64/557257564.db2.gz OAZYIHDZKSBCGS-UHFFFAOYSA-N 0 0 425.488 4.517 50 0 IJAARN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101176622 557260772 /nfs/dbraw/zinc/26/07/72/557260772.db2.gz GIVHQZBGYVLNFQ-ZRBLBEILSA-N 0 0 448.906 4.790 50 0 IJAARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000100566912 557264842 /nfs/dbraw/zinc/26/48/42/557264842.db2.gz ZTJMXKJXJKCFMB-ZRBLBEILSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Br)cc2)cs1 ZINC000012975201 557265711 /nfs/dbraw/zinc/26/57/11/557265711.db2.gz IBJNRHXCZPHSIE-UHFFFAOYSA-N 0 0 435.368 4.632 50 0 IJAARN COc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1OC ZINC000027581164 557266517 /nfs/dbraw/zinc/26/65/17/557266517.db2.gz KCAFDHYAWMKIJJ-UHFFFAOYSA-N 0 0 440.927 4.981 50 0 IJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(-c2ccccc2)c[nH]1 ZINC000027660367 557268572 /nfs/dbraw/zinc/26/85/72/557268572.db2.gz RWCJTAKMUVLUJP-UHFFFAOYSA-N 0 0 439.566 4.719 50 0 IJAARN COc1ccc2[nH]cc(C(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000085902872 557269715 /nfs/dbraw/zinc/26/97/15/557269715.db2.gz MIVKAQIIGPEGCQ-UHFFFAOYSA-N 0 0 439.559 4.766 50 0 IJAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)c1C ZINC000027663654 557269749 /nfs/dbraw/zinc/26/97/49/557269749.db2.gz SSCJPGBFHQAWKH-UHFFFAOYSA-N 0 0 449.576 4.586 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(C3CCCCC3)o2)c1 ZINC000027719246 557271982 /nfs/dbraw/zinc/27/19/82/557271982.db2.gz BEULZTJEAIWBLJ-SFHVURJKSA-N 0 0 431.558 4.590 50 0 IJAARN O=C(NCc1cccnc1)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCC2 ZINC000027794123 557274391 /nfs/dbraw/zinc/27/43/91/557274391.db2.gz QJUBXWPVCAEWOY-UHFFFAOYSA-N 0 0 427.529 4.967 50 0 IJAARN COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1OC ZINC000027793793 557274460 /nfs/dbraw/zinc/27/44/60/557274460.db2.gz HPFDXQVJJFXSIE-ZDUSSCGKSA-N 0 0 447.944 4.899 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@H]2C1 ZINC000100830076 557276974 /nfs/dbraw/zinc/27/69/74/557276974.db2.gz GJCSTILUVXXYAX-IRXDYDNUSA-N 0 0 428.410 4.803 50 0 IJAARN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000100830067 557277001 /nfs/dbraw/zinc/27/70/01/557277001.db2.gz GJCSTILUVXXYAX-IAGOWNOFSA-N 0 0 428.410 4.803 50 0 IJAARN Cc1c(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)sc2nc(C)cc(C)c12 ZINC000024964088 557279983 /nfs/dbraw/zinc/27/99/83/557279983.db2.gz WQOGNHRXIXVAGO-UHFFFAOYSA-N 0 0 448.514 4.988 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(CC(=O)NCc3ccccc3)=CSC2=N1 ZINC000101387569 557282386 /nfs/dbraw/zinc/28/23/86/557282386.db2.gz ITDHLFYHJONHPR-HSZRJFAPSA-N 0 0 447.560 4.531 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NCCC(C)C)=CSC2=N1 ZINC000101397821 557283391 /nfs/dbraw/zinc/28/33/91/557283391.db2.gz JTGQXNWBHOVVDV-QFIPXVFZSA-N 0 0 441.597 4.685 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N[C@H](C)CC)=CSC2=N1 ZINC000101394783 557283456 /nfs/dbraw/zinc/28/34/56/557283456.db2.gz NCQUGXRIHQWCJI-ZUOKHONESA-N 0 0 447.988 4.783 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5cccs5)n4n3)cc2)c1 ZINC000011665518 557284182 /nfs/dbraw/zinc/28/41/82/557284182.db2.gz NLZPDWRGHFSKAX-UHFFFAOYSA-N 0 0 427.489 4.781 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@H]2C1 ZINC000101888915 557296324 /nfs/dbraw/zinc/29/63/24/557296324.db2.gz HFHOXXCKQXYOKK-XYPHTWIQSA-N 0 0 442.309 4.594 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827688 557299557 /nfs/dbraw/zinc/29/95/57/557299557.db2.gz NPXXUBMOPBVKSH-GJZGRUSLSA-N 0 0 434.927 4.590 50 0 IJAARN Cc1cccc(NC(=O)CNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1C ZINC000014094382 557302366 /nfs/dbraw/zinc/30/23/66/557302366.db2.gz NQIKLRJREICFTP-UHFFFAOYSA-N 0 0 440.499 4.754 50 0 IJAARN COc1cccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(Cl)ccc3C)C(=O)C2)c1 ZINC000101881753 557305727 /nfs/dbraw/zinc/30/57/27/557305727.db2.gz RWUAQXQECMPRKZ-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN COc1cc(NC(=O)c2nc(Cl)ccc2Cl)c(OC)cc1NC(=O)c1ccccc1 ZINC000014122217 557306133 /nfs/dbraw/zinc/30/61/33/557306133.db2.gz FTJKTSKABDCXDE-UHFFFAOYSA-N 0 0 446.290 4.910 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(Br)cc1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946369 557308169 /nfs/dbraw/zinc/30/81/69/557308169.db2.gz XZBWSFFOBUSLQH-QGZVFWFLSA-N 0 0 440.341 4.924 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/NC3CCCCCCC3)C2=O)cc1OC ZINC000103005164 557311598 /nfs/dbraw/zinc/31/15/98/557311598.db2.gz ZOTDXHIUPSJXRG-XLNRJJMWSA-N 0 0 434.536 4.934 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc2c1OCCO2 ZINC000032900638 557316984 /nfs/dbraw/zinc/31/69/84/557316984.db2.gz REVVPVIZGBAYJC-ZHACJKMWSA-N 0 0 445.475 4.762 50 0 IJAARN Cc1cc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)ccc1Br ZINC000032943594 557317668 /nfs/dbraw/zinc/31/76/68/557317668.db2.gz HFRURHWQYLJMFH-UHFFFAOYSA-N 0 0 446.370 4.834 50 0 IJAARN Cc1ccc2c(CC(=O)Oc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)coc2c1 ZINC000014201971 557317684 /nfs/dbraw/zinc/31/76/84/557317684.db2.gz WGJPDLOZLWFAAZ-UHFFFAOYSA-N 0 0 435.501 4.714 50 0 IJAARN O=C(Cn1c2ccccc2nc1C(=O)c1cccc(F)c1)Nc1ccc(F)c(Cl)c1 ZINC000032959153 557319184 /nfs/dbraw/zinc/31/91/84/557319184.db2.gz UWGKREHTAPLFIB-UHFFFAOYSA-N 0 0 425.822 4.838 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nc(N2CCCC2)n(-c2ccc(C)cc2)c3=O)cc1 ZINC000033251240 557327361 /nfs/dbraw/zinc/32/73/61/557327361.db2.gz AHYNMTBRLZLPDQ-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN CC(C)c1oc([C@@H]2CCCN2Cc2csc(CS(C)(=O)=O)n2)nc1-c1ccccc1 ZINC000072308403 557328170 /nfs/dbraw/zinc/32/81/70/557328170.db2.gz WHVVTHJYWCYKCR-SFHVURJKSA-N 0 0 445.610 4.803 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(F)c3)n2)cc1 ZINC000033325204 557333211 /nfs/dbraw/zinc/33/32/11/557333211.db2.gz WJGCRIJZXIXKLT-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN CCN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccccc1 ZINC000033328826 557333285 /nfs/dbraw/zinc/33/32/85/557333285.db2.gz GINDFPYRBZQQOG-UHFFFAOYSA-N 0 0 429.505 4.683 50 0 IJAARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC[C@@H]1CCCO1 ZINC000100141957 557333926 /nfs/dbraw/zinc/33/39/26/557333926.db2.gz GHSXEMHWLUJWSP-FYSMJZIKSA-N 0 0 437.565 4.673 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CC[C@H](c5nc(C6CC6)no5)C4)cc3)o2)c1 ZINC000328592406 557338038 /nfs/dbraw/zinc/33/80/38/557338038.db2.gz BYBTWWHKXVYHEQ-FQEVSTJZSA-N 0 0 441.491 4.602 50 0 IJAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(OC)cc3)CC2=O)c1 ZINC000102530229 557341736 /nfs/dbraw/zinc/34/17/36/557341736.db2.gz QHUJEHCNMAFYKJ-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN O=C(c1cccs1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610994 557345440 /nfs/dbraw/zinc/34/54/40/557345440.db2.gz HLIQELPRJUJIGQ-UHFFFAOYSA-N 0 0 429.299 4.663 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000023335364 557350256 /nfs/dbraw/zinc/35/02/56/557350256.db2.gz VCQCOAZLUCZTIZ-UHFFFAOYSA-N 0 0 425.916 4.755 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000023436486 557354251 /nfs/dbraw/zinc/35/42/51/557354251.db2.gz SRWGLSVIVALZRH-UHFFFAOYSA-N 0 0 447.535 4.787 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000023431569 557355393 /nfs/dbraw/zinc/35/53/93/557355393.db2.gz RHSCDBQIDFBFAO-UHFFFAOYSA-N 0 0 437.927 4.996 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000023431492 557355429 /nfs/dbraw/zinc/35/54/29/557355429.db2.gz FRFGTXMFLZGNCI-UHFFFAOYSA-N 0 0 431.536 4.959 50 0 IJAARN C[C@H]1c2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3c2N(CCC3)C1=O ZINC000102592178 557356882 /nfs/dbraw/zinc/35/68/82/557356882.db2.gz LSJAPBNTJVVSSC-INIZCTEOSA-N 0 0 434.517 4.676 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000023439482 557357710 /nfs/dbraw/zinc/35/77/10/557357710.db2.gz BFQSDYPDUBOROJ-DWXRJYCRSA-N 0 0 447.531 4.654 50 0 IJAARN O=C(c1c(F)cccc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023460783 557360679 /nfs/dbraw/zinc/36/06/79/557360679.db2.gz LNYIMXIONDGHAU-UHFFFAOYSA-N 0 0 430.458 4.537 50 0 IJAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000023507674 557364541 /nfs/dbraw/zinc/36/45/41/557364541.db2.gz RZVJPGOLEMTDMI-CQSZACIVSA-N 0 0 448.466 4.738 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000011690026 557368817 /nfs/dbraw/zinc/36/88/17/557368817.db2.gz POPZUVHAXSYFIT-UHFFFAOYSA-N 0 0 432.432 4.551 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000102730551 557371127 /nfs/dbraw/zinc/37/11/27/557371127.db2.gz QBIYPRGFEDEOSX-CCDWMCETSA-N 0 0 442.515 4.835 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000102737538 557379830 /nfs/dbraw/zinc/37/98/30/557379830.db2.gz MKQVRACFRHRUGC-IVZQSRNASA-N 0 0 448.479 4.724 50 0 IJAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102758933 557384112 /nfs/dbraw/zinc/38/41/12/557384112.db2.gz GHKRNQYQZXZPOV-CCDWMCETSA-N 0 0 442.515 4.917 50 0 IJAARN COc1cc2nc(SCc3cnc(Cl)s3)n(Cc3ccco3)c(=N)c2cc1OC ZINC000100330785 557400164 /nfs/dbraw/zinc/40/01/64/557400164.db2.gz ACHKAJGZONRZLQ-UHFFFAOYSA-N 0 0 448.957 4.576 50 0 IJAARN Fc1ccc(N2CCN(Cn3nc(C45CC6CC(CC(C6)C4)C5)oc3=S)CC2)cc1 ZINC000033504843 557402686 /nfs/dbraw/zinc/40/26/86/557402686.db2.gz LZGOTMWVLOMYJK-UHFFFAOYSA-N 0 0 428.577 4.592 50 0 IJAARN O=C(COc1ccc(N2CCCC2=O)cc1)N(Cc1cccs1)Cc1cccs1 ZINC000024467283 557415470 /nfs/dbraw/zinc/41/54/70/557415470.db2.gz OKOJAISLPXUMPQ-UHFFFAOYSA-N 0 0 426.563 4.544 50 0 IJAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)/C=C\c1cc(Cl)c(OC)c(OCC)c1 ZINC000103417892 557436783 /nfs/dbraw/zinc/43/67/83/557436783.db2.gz JJDISDCBQBOHPH-CPFIRTDXSA-N 0 0 447.959 4.569 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000103644519 557440455 /nfs/dbraw/zinc/44/04/55/557440455.db2.gz JZODCCJOWSBIEW-VRSHZLGDSA-N 0 0 427.891 4.788 50 0 IJAARN Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000103775500 557441509 /nfs/dbraw/zinc/44/15/09/557441509.db2.gz UXYGMFTYLAESNQ-CRAIPNDOSA-N 0 0 444.906 4.664 50 0 IJAARN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(c3cccc(Cl)c3)C[C@@H]12 ZINC000104916006 557464734 /nfs/dbraw/zinc/46/47/34/557464734.db2.gz SCQJEDTYCGTEHO-RSXGOPAZSA-N 0 0 445.994 4.566 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c1C ZINC000018355547 557497423 /nfs/dbraw/zinc/49/74/23/557497423.db2.gz BOEXPSREIYYRKU-INIZCTEOSA-N 0 0 438.528 4.711 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000018366486 557498758 /nfs/dbraw/zinc/49/87/58/557498758.db2.gz KRDXEFIENVGHFK-SECBINFHSA-N 0 0 427.536 4.945 50 0 IJAARN O=c1cc(C(F)F)c2cn(C3CCCC3)nc2n1S(=O)(=O)c1ccc2ccccc2c1 ZINC000036621525 557517342 /nfs/dbraw/zinc/51/73/42/557517342.db2.gz VWZVPFPEFGEMPO-UHFFFAOYSA-N 0 0 443.475 4.641 50 0 IJAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)cc1 ZINC000012062320 557526395 /nfs/dbraw/zinc/52/63/95/557526395.db2.gz LBTPVRMBNQOKOT-UHFFFAOYSA-N 0 0 439.581 4.619 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)nc1 ZINC000106922160 557533195 /nfs/dbraw/zinc/53/31/95/557533195.db2.gz QFHDBCCERPLQLG-NVXWUHKLSA-N 0 0 425.920 4.505 50 0 IJAARN CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000107532865 557536456 /nfs/dbraw/zinc/53/64/56/557536456.db2.gz UYIBGGCMDOVCRF-ZMSDIMECSA-N 0 0 444.767 4.737 50 0 IJAARN O=C(Nc1ccc(F)cc1Br)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837454 557538750 /nfs/dbraw/zinc/53/87/50/557538750.db2.gz RPJPIYWGQRSVBC-UHFFFAOYSA-N 0 0 439.082 4.993 50 0 IJAARN CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2c3cccnc3sc2c1=O ZINC000045895712 557546439 /nfs/dbraw/zinc/54/64/39/557546439.db2.gz HZYHFAFBRNSLHP-AWEZNQCLSA-N 0 0 432.427 4.615 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccc(OC)c2)cc1 ZINC000045941966 557551487 /nfs/dbraw/zinc/55/14/87/557551487.db2.gz AKOYHOKDMKLJEO-XMMPIXPASA-N 0 0 443.499 4.843 50 0 IJAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000045942848 557552161 /nfs/dbraw/zinc/55/21/61/557552161.db2.gz GSECGJJAHCOVJJ-UHFFFAOYSA-N 0 0 437.830 4.922 50 0 IJAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000045962023 557557048 /nfs/dbraw/zinc/55/70/48/557557048.db2.gz WOWFNVGAXAAANM-UHFFFAOYSA-N 0 0 432.929 4.910 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)cc1Cl ZINC000045970041 557557546 /nfs/dbraw/zinc/55/75/46/557557546.db2.gz RSQFBDKPBLJJOF-UHFFFAOYSA-N 0 0 432.867 4.505 50 0 IJAARN O=C(OCc1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000000841036 557604085 /nfs/dbraw/zinc/60/40/85/557604085.db2.gz UXIMRLNBBYKVSJ-UHFFFAOYSA-N 0 0 438.071 4.675 50 0 IJAARN O=c1c(Cl)c(Cl)cnn1-c1ccc(NCCOc2ccc(F)c(F)c2)c(Cl)c1 ZINC000225413700 557720025 /nfs/dbraw/zinc/72/00/25/557720025.db2.gz XLVMTZHBFFEYRM-UHFFFAOYSA-N 0 0 446.668 4.962 50 0 IJAARN CCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1ccn(C(C)C)n1)C1CC1 ZINC000225430440 557722409 /nfs/dbraw/zinc/72/24/09/557722409.db2.gz LVYWDTQIJPPHQH-FQEVSTJZSA-N 0 0 438.355 4.609 50 0 IJAARN Cn1cc(CNC(=O)Nc2cc3ccccc3nc2Br)c(-c2ccccc2)n1 ZINC000225443358 557723192 /nfs/dbraw/zinc/72/31/92/557723192.db2.gz ZOUXFPOYPDEUJI-UHFFFAOYSA-N 0 0 436.313 4.720 50 0 IJAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000225539055 557738602 /nfs/dbraw/zinc/73/86/02/557738602.db2.gz VQEVXRXQCZNQID-UHFFFAOYSA-N 0 0 437.005 4.681 50 0 IJAARN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000001319939 557781946 /nfs/dbraw/zinc/78/19/46/557781946.db2.gz QOLRLLFJMZLYQJ-WVNFNSSUSA-N 0 0 430.629 4.973 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccnc4Cl)c3n2)cc1 ZINC000000845041 557828542 /nfs/dbraw/zinc/82/85/42/557828542.db2.gz VIYKLVLTUQPZGK-UHFFFAOYSA-N 0 0 447.804 4.724 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000000846738 557828995 /nfs/dbraw/zinc/82/89/95/557828995.db2.gz OHDOLZLCIGFCCZ-UHFFFAOYSA-N 0 0 447.585 4.975 50 0 IJAARN CCOC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccc(C)cc1 ZINC000000862173 557835883 /nfs/dbraw/zinc/83/58/83/557835883.db2.gz PJWAHMYUKPTPAG-UHFFFAOYSA-N 0 0 432.343 4.660 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000000865302 557839083 /nfs/dbraw/zinc/83/90/83/557839083.db2.gz ZQQYJBOQBVGPFO-AEFFLSMTSA-N 0 0 432.402 4.510 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000025028750 557845547 /nfs/dbraw/zinc/84/55/47/557845547.db2.gz NNYTVVSYGYQXSU-UHFFFAOYSA-N 0 0 448.862 4.554 50 0 IJAARN O=C(COC(=O)c1ccccc1OCCOc1ccccc1)NC1CCCCCCC1 ZINC000005785840 557848110 /nfs/dbraw/zinc/84/81/10/557848110.db2.gz OXJNMJRJRPYJOX-UHFFFAOYSA-N 0 0 425.525 4.530 50 0 IJAARN Cc1cc2c3nnc(SCC(=O)Nc4ccccc4C(F)(F)F)nc3[nH]c2c(C)c1 ZINC000000877613 557848445 /nfs/dbraw/zinc/84/84/45/557848445.db2.gz CATMBMAODRRZTN-UHFFFAOYSA-N 0 0 431.443 4.873 50 0 IJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)c1 ZINC000000884157 557854573 /nfs/dbraw/zinc/85/45/73/557854573.db2.gz DOUWMMHWJRVWAO-VQTJNVASSA-N 0 0 444.457 4.525 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3cc(C)on3)n2)cc1 ZINC000000920530 562919584 /nfs/dbraw/zinc/91/95/84/562919584.db2.gz NOACGFZBPSWQOA-UHFFFAOYSA-N 0 0 438.431 4.588 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691213 562929795 /nfs/dbraw/zinc/92/97/95/562929795.db2.gz SXVBUPUMAFPXHK-UHFFFAOYSA-N 0 0 427.500 4.860 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)Cc1ccccc1)CC2 ZINC000003006402 562931525 /nfs/dbraw/zinc/93/15/25/562931525.db2.gz XCVUPUSNCXUXRO-QHCPKHFHSA-N 0 0 435.495 4.590 50 0 IJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(C)c2)cc1 ZINC000003006447 562931597 /nfs/dbraw/zinc/93/15/97/562931597.db2.gz QQKQBPUGBNLURO-XMMPIXPASA-N 0 0 447.531 4.839 50 0 IJAARN COc1ccc(-n2c(=O)c3sc(=S)n(-c4ccccc4)c3[nH]c2=S)c(OC)c1 ZINC000003018810 562931692 /nfs/dbraw/zinc/93/16/92/562931692.db2.gz JASTXBOVJBDOQP-UHFFFAOYSA-N 0 0 429.548 4.647 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2F)cc1Cl ZINC000003023653 562931787 /nfs/dbraw/zinc/93/17/87/562931787.db2.gz BITKTOYWSUTNNQ-UHFFFAOYSA-N 0 0 444.915 4.791 50 0 aggregator IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C)c1 ZINC000003031250 562931885 /nfs/dbraw/zinc/93/18/85/562931885.db2.gz AFCQOBDXEQCYRZ-UHFFFAOYSA-N 0 0 426.513 4.910 50 0 IJAARN Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000003234199 562933109 /nfs/dbraw/zinc/93/31/09/562933109.db2.gz HUBOOHPQUSNEHD-UHFFFAOYSA-N 0 0 432.851 4.645 50 0 IJAARN COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 ZINC000003254050 562933431 /nfs/dbraw/zinc/93/34/31/562933431.db2.gz RJNZBCCKXRDOAX-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)cc1Br ZINC000003275654 562933633 /nfs/dbraw/zinc/93/36/33/562933633.db2.gz XNLQGVGXGBCMOP-HNNXBMFYSA-N 0 0 436.371 4.579 50 0 IJAARN CCc1ccc(NC(=O)COc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000003282603 562933690 /nfs/dbraw/zinc/93/36/90/562933690.db2.gz RIPKIWNEJVCXMJ-UHFFFAOYSA-N 0 0 443.478 4.822 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1 ZINC000003334565 562934362 /nfs/dbraw/zinc/93/43/62/562934362.db2.gz IAVLUUBTSPNXOI-RUZDIDTESA-N 0 0 441.531 4.630 50 0 IJAARN COc1ccc(Cn2c3cc(OC)ccc3c(C[NH2+]Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000008588848 562950877 /nfs/dbraw/zinc/95/08/77/562950877.db2.gz BAULSQLSLRACSB-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN O=C(CSc1nncn2c3ccsc3cc12)Nc1ccc(Br)cc1F ZINC000008588951 562950924 /nfs/dbraw/zinc/95/09/24/562950924.db2.gz HUNDNBYLFWOAEL-UHFFFAOYSA-N 0 0 437.319 4.576 50 0 IJAARN CCc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3[C@H](C)CC)cc1 ZINC000008589671 562951383 /nfs/dbraw/zinc/95/13/83/562951383.db2.gz IDLKYEFIRUJHIG-OAHLLOKOSA-N 0 0 437.569 4.601 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000008589929 562951396 /nfs/dbraw/zinc/95/13/96/562951396.db2.gz VKQFGKYSIMXMCK-QFIPXVFZSA-N 0 0 430.342 4.619 50 0 IJAARN Cc1ccc(CNC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1 ZINC000008590502 562951705 /nfs/dbraw/zinc/95/17/05/562951705.db2.gz BEVPQUNXHVFQKG-UHFFFAOYSA-N 0 0 435.911 4.893 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)C2)cc1 ZINC000008591160 562951956 /nfs/dbraw/zinc/95/19/56/562951956.db2.gz KRHNLJDIXJHREF-OAQYLSRUSA-N 0 0 445.592 4.607 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 ZINC000008591955 562952207 /nfs/dbraw/zinc/95/22/07/562952207.db2.gz KNIXHKOINJVJFE-FQEVSTJZSA-N 0 0 437.883 4.608 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000008599437 562954710 /nfs/dbraw/zinc/95/47/10/562954710.db2.gz KYUOIOMILDJINU-UHFFFAOYSA-N 0 0 448.588 4.666 50 0 aggregator IJAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008601375 562955293 /nfs/dbraw/zinc/95/52/93/562955293.db2.gz UKJVKHSEYMKBSX-NRFANRHFSA-N 0 0 429.513 4.661 50 0 IJAARN Cc1cccc(-c2nc3cc(=O)[nH]n3c(SCCCOc3ccccc3Cl)n2)c1 ZINC000008603044 562955955 /nfs/dbraw/zinc/95/59/55/562955955.db2.gz LMWXVYYEJUBYSQ-UHFFFAOYSA-N 0 0 426.929 4.608 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2Cc2ccco2)c1 ZINC000008604927 562956500 /nfs/dbraw/zinc/95/65/00/562956500.db2.gz QYCKFSGICSSABZ-UHFFFAOYSA-N 0 0 445.500 4.823 50 0 IJAARN COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000008606547 562957006 /nfs/dbraw/zinc/95/70/06/562957006.db2.gz FIEALEDMLKAOHI-RUZDIDTESA-N 0 0 425.488 4.579 50 0 IJAARN COc1ccc(Cn2c3ccccc3nc2SCC(=O)N(C)Cc2ccccc2)cc1 ZINC000008609109 562957647 /nfs/dbraw/zinc/95/76/47/562957647.db2.gz KFLPYCCDTYIHLF-UHFFFAOYSA-N 0 0 431.561 4.844 50 0 IJAARN COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1Cl ZINC000008611317 562958483 /nfs/dbraw/zinc/95/84/83/562958483.db2.gz YNGWMZIDJATFGK-UHFFFAOYSA-N 0 0 441.959 4.652 50 0 IJAARN CCOc1ccc(NC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)cc1 ZINC000008611475 562958605 /nfs/dbraw/zinc/95/86/05/562958605.db2.gz YFUCROKUFLBPIQ-UHFFFAOYSA-N 0 0 444.535 4.622 50 0 IJAARN Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000008614115 562959500 /nfs/dbraw/zinc/95/95/00/562959500.db2.gz DAPJUEJLBHKHLN-HXUWFJFHSA-N 0 0 449.576 4.642 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1cccc(C)c1C ZINC000008614274 562959578 /nfs/dbraw/zinc/95/95/78/562959578.db2.gz LYCTXEWIOBXSSU-UHFFFAOYSA-N 0 0 428.536 4.840 50 0 IJAARN Cc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1C ZINC000008626963 562960082 /nfs/dbraw/zinc/96/00/82/562960082.db2.gz QVPFISGFRSBVFC-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)n1C[C@@H]1CCCO1 ZINC000008686105 562962706 /nfs/dbraw/zinc/96/27/06/562962706.db2.gz OCGOOLOLOULYMW-SFHVURJKSA-N 0 0 444.988 4.708 50 0 IJAARN COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccccc4O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000009243694 562968438 /nfs/dbraw/zinc/96/84/38/562968438.db2.gz KHEFPWFHLNTGCL-RUZDIDTESA-N 0 0 443.478 4.718 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009283224 562968802 /nfs/dbraw/zinc/96/88/02/562968802.db2.gz BAVKPIRVUIEQFO-CQSZACIVSA-N 0 0 426.822 4.730 50 0 IJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC[C@@H]3CCCO3)nc2-c2ccc(C)cc2)cc1 ZINC000009516715 562972731 /nfs/dbraw/zinc/97/27/31/562972731.db2.gz RNSSLXLVIQPNDP-NQIIRXRSSA-N 0 0 448.592 4.598 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000009591329 562973692 /nfs/dbraw/zinc/97/36/92/562973692.db2.gz FZURUBXJRIOYIA-QGZVFWFLSA-N 0 0 430.932 4.628 50 0 IJAARN COc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC ZINC000011816978 562979372 /nfs/dbraw/zinc/97/93/72/562979372.db2.gz ZXLOVQQNWVJKPM-LJQANCHMSA-N 0 0 449.551 4.650 50 0 IJAARN COc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1OC ZINC000019882409 563023201 /nfs/dbraw/zinc/02/32/01/563023201.db2.gz PKVKPQYTTIINDJ-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 aggregator,biogenic IJAARN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)c1 ZINC000020192444 563023956 /nfs/dbraw/zinc/02/39/56/563023956.db2.gz MRBWHVUGBKVYDH-NRFANRHFSA-N 0 0 426.538 4.640 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)c2cc3cc(OC)ccc3nc2C)c2ccccc21 ZINC000106171429 568625156 /nfs/dbraw/zinc/62/51/56/568625156.db2.gz ZDFSZARWODGXDG-MFEFFIJZSA-N 0 0 445.563 4.989 50 0 IJAARN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000000906809 568636179 /nfs/dbraw/zinc/63/61/79/568636179.db2.gz MZLMFOIQFHKKPC-HNNXBMFYSA-N 0 0 429.977 4.991 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000000915507 568636971 /nfs/dbraw/zinc/63/69/71/568636971.db2.gz GWTYECGMZSXWRJ-UHFFFAOYSA-N 0 0 439.924 4.730 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)c1 ZINC000000916247 568637446 /nfs/dbraw/zinc/63/74/46/568637446.db2.gz PRIBHOUVJVDIEY-UHFFFAOYSA-N 0 0 444.560 4.945 50 0 IJAARN Cc1cccc2nc(COC(=O)c3ccccc3Cc3nc4ccccc4s3)cc(=O)n12 ZINC000025131841 568637820 /nfs/dbraw/zinc/63/78/20/568637820.db2.gz MDSDNEXWLOYMHI-UHFFFAOYSA-N 0 0 441.512 4.560 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)c(-c2ccc3c(c2)OCO3)cn1C ZINC000025145989 568641084 /nfs/dbraw/zinc/64/10/84/568641084.db2.gz AUUGLWYXYRPMPE-UHFFFAOYSA-N 0 0 446.459 4.904 50 0 IJAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1 ZINC000000941442 568641705 /nfs/dbraw/zinc/64/17/05/568641705.db2.gz USSCHKMFLSPSAO-UHFFFAOYSA-N 0 0 449.399 4.634 50 0 IJAARN CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1 ZINC000086056988 568642221 /nfs/dbraw/zinc/64/22/21/568642221.db2.gz XGEQVYZJANHZGR-LJQANCHMSA-N 0 0 435.549 4.634 50 0 IJAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C1=O ZINC000000947523 568643611 /nfs/dbraw/zinc/64/36/11/568643611.db2.gz BZRNEXIBTRHCIJ-UHFFFAOYSA-N 0 0 431.197 4.803 50 0 IJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cc(OC)ccc1OC ZINC000000951948 568645639 /nfs/dbraw/zinc/64/56/39/568645639.db2.gz GOQIFEZTFQWSKH-UHFFFAOYSA-N 0 0 431.286 4.935 50 0 IJAARN CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958423 568646161 /nfs/dbraw/zinc/64/61/61/568646161.db2.gz RHQUUHOWSSSNTQ-HOCLYGCPSA-N 0 0 441.553 4.538 50 0 IJAARN CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000000958420 568646173 /nfs/dbraw/zinc/64/61/73/568646173.db2.gz RHQUUHOWSSSNTQ-GDBMZVCRSA-N 0 0 441.553 4.538 50 0 IJAARN Cc1ccccc1NC(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000960014 568646535 /nfs/dbraw/zinc/64/65/35/568646535.db2.gz WWTDIGNXPZVTIQ-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000000990109 568648346 /nfs/dbraw/zinc/64/83/46/568648346.db2.gz ZJENKJQRRGACRH-QHCPKHFHSA-N 0 0 438.321 4.820 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(OC)c1OCc1ccccc1C ZINC000000996522 568649377 /nfs/dbraw/zinc/64/93/77/568649377.db2.gz PWXODGYAXOCXIB-FYJGNVAPSA-N 0 0 429.472 4.936 50 0 IJAARN S=C(Sc1c(Cl)cnc(C(Cl)(Cl)Cl)c1Cl)N1CCOCC1 ZINC000001070839 568654990 /nfs/dbraw/zinc/65/49/90/568654990.db2.gz XZKNDCDPKJHNKF-UHFFFAOYSA-N 0 0 426.605 4.924 50 0 IJAARN Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000001098802 568658863 /nfs/dbraw/zinc/65/88/63/568658863.db2.gz YUFYDFTUNGVTMB-XKZIYDEJSA-N 0 0 444.512 4.591 50 0 IJAARN COc1ccc(CN(C(=O)c2cnn(-c3ccc(Br)cc3)c2C)C2CC2)cc1 ZINC000025477520 568659405 /nfs/dbraw/zinc/65/94/05/568659405.db2.gz OAUHENOEMMJBEG-UHFFFAOYSA-N 0 0 440.341 4.757 50 0 IJAARN O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 ZINC000001168785 568676485 /nfs/dbraw/zinc/67/64/85/568676485.db2.gz KGYIJCOWRJUMMH-HSZRJFAPSA-N 0 0 439.849 4.823 50 0 IJAARN O=C(Nc1ccc(F)cc1F)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 ZINC000001168786 568676829 /nfs/dbraw/zinc/67/68/29/568676829.db2.gz KGYIJCOWRJUMMH-QHCPKHFHSA-N 0 0 439.849 4.823 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357879 568731560 /nfs/dbraw/zinc/73/15/60/568731560.db2.gz QOLRLLFJMZLYQJ-NRLDBCOZSA-N 0 0 430.629 4.973 50 0 IJAARN C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC(=O)[C@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000257357880 568731599 /nfs/dbraw/zinc/73/15/99/568731599.db2.gz QOLRLLFJMZLYQJ-VLESBSSRSA-N 0 0 430.629 4.973 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000003360447 568747086 /nfs/dbraw/zinc/74/70/86/568747086.db2.gz RXOZURLSVFULLL-UHFFFAOYSA-N 0 0 441.556 4.664 50 0 IJAARN Cc1ccccc1Nc1nnc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)s1 ZINC000003426585 568748875 /nfs/dbraw/zinc/74/88/75/568748875.db2.gz TZYLHTGAWUCQPW-HNNXBMFYSA-N 0 0 430.942 4.668 50 0 IJAARN CN(Cc1csc(Br)c1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000083862040 568783829 /nfs/dbraw/zinc/78/38/29/568783829.db2.gz SJXZBFMBHCUSIP-ZDUSSCGKSA-N 0 0 445.791 4.626 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(Br)cc3)cc2)cc1 ZINC000003582241 568751259 /nfs/dbraw/zinc/75/12/59/568751259.db2.gz UAJPHUDIXBLTJC-UHFFFAOYSA-N 0 0 449.308 4.958 50 0 IJAARN CCCCOc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c1 ZINC000003622930 568751759 /nfs/dbraw/zinc/75/17/59/568751759.db2.gz IBGNKNCDGYTUAF-UHFFFAOYSA-N 0 0 445.368 4.675 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\c4cccc(Cl)c4)c(=O)n3n2)cc1 ZINC000003649004 568752624 /nfs/dbraw/zinc/75/26/24/568752624.db2.gz SECMFNOGWQGDGG-RGEXLXHISA-N 0 0 425.941 4.588 50 0 IJAARN COC(=O)COc1cccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c1 ZINC000263586250 568759512 /nfs/dbraw/zinc/75/95/12/568759512.db2.gz RRRFCIPJHVEITR-NRFANRHFSA-N 0 0 440.499 4.716 50 0 biogenic IJAARN O=C(NC1c2ccccc2Oc2ccccc21)c1cccc(I)c1 ZINC000001233141 568760220 /nfs/dbraw/zinc/76/02/20/568760220.db2.gz XKSSWRMVNFEFNQ-UHFFFAOYSA-N 0 0 427.241 4.916 50 0 IJAARN CCCCCn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000334157040 568762183 /nfs/dbraw/zinc/76/21/83/568762183.db2.gz NOUUOAPOBMUTGV-UHFFFAOYSA-O 0 0 436.561 4.838 50 0 IJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Br)c(C)c4)sc3nc12 ZINC000015441550 568762307 /nfs/dbraw/zinc/76/23/07/568762307.db2.gz YSSILXBZRXHDCW-UHFFFAOYSA-N 0 0 428.311 4.541 50 0 IJAARN COc1cccc(C(=O)Oc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)c1 ZINC000001237915 568774347 /nfs/dbraw/zinc/77/43/47/568774347.db2.gz OPDUIZQAJUUTTK-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001240311 568774536 /nfs/dbraw/zinc/77/45/36/568774536.db2.gz POQLJNPBYXGKAM-UHFFFAOYSA-N 0 0 445.610 4.945 50 0 IJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(I)c1 ZINC000001252130 568775074 /nfs/dbraw/zinc/77/50/74/568775074.db2.gz UYFBFWINSJHERO-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN CCOc1cc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(C)cc3)OC4)n2)ccc1OC ZINC000263617955 568777462 /nfs/dbraw/zinc/77/74/62/568777462.db2.gz QPTLOVZEJSXWRO-JOCHJYFZSA-N 0 0 432.480 4.587 50 0 IJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1 ZINC000263618746 568777629 /nfs/dbraw/zinc/77/76/29/568777629.db2.gz VIDWFMHFZWPHPR-GOSISDBHSA-N 0 0 442.397 4.899 50 0 IJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(SC)cc5)no4)cc3CO2)cc1 ZINC000263618117 568778004 /nfs/dbraw/zinc/77/80/04/568778004.db2.gz RHRQBHYAUBHQNO-OAQYLSRUSA-N 0 0 434.521 4.992 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000045941939 568783635 /nfs/dbraw/zinc/78/36/35/568783635.db2.gz GYNWKJSIVCRFJF-DEOSSOPVSA-N 0 0 443.499 4.843 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2N(C)Cc2ccccc2)cc1 ZINC000001398568 568785782 /nfs/dbraw/zinc/78/57/82/568785782.db2.gz PJUWLEGXLIZRQP-UHFFFAOYSA-N 0 0 429.545 4.921 50 0 IJAARN CC[C@H](OC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1)C(=O)c1ccccc1 ZINC000001121484 568788210 /nfs/dbraw/zinc/78/82/10/568788210.db2.gz IJGVWRPKAIPAKU-QFIPXVFZSA-N 0 0 427.456 4.614 50 0 IJAARN CC[C@@H](OC(=O)c1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1)C(=O)c1ccccc1 ZINC000001121486 568788300 /nfs/dbraw/zinc/78/83/00/568788300.db2.gz IJGVWRPKAIPAKU-JOCHJYFZSA-N 0 0 427.456 4.614 50 0 IJAARN Cc1nc2cc(F)cc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c2nc1C ZINC000084057209 568790374 /nfs/dbraw/zinc/79/03/74/568790374.db2.gz SCKWQVRHFYLGNU-UHFFFAOYSA-N 0 0 427.907 4.517 50 0 IJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1C ZINC000084057828 568790539 /nfs/dbraw/zinc/79/05/39/568790539.db2.gz ZMNATULUQQWHMQ-SFHVURJKSA-N 0 0 430.291 4.516 50 0 IJAARN COc1ccc(C(=O)Cn2c(=O)oc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000001432332 568795157 /nfs/dbraw/zinc/79/51/57/568795157.db2.gz AUOVBYGSUACWHA-UHFFFAOYSA-N 0 0 445.471 4.684 50 0 IJAARN COC(=O)c1ccc(C)c(N(Cc2[nH]cnc2C)C(=O)c2csc(-c3ccccc3)n2)c1 ZINC000084185489 568795844 /nfs/dbraw/zinc/79/58/44/568795844.db2.gz PAJWGXIDELTTEK-UHFFFAOYSA-N 0 0 446.532 4.784 50 0 IJAARN CC(C)(C)c1ccc([C@H]2CCCN2CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084284352 568796679 /nfs/dbraw/zinc/79/66/79/568796679.db2.gz HALJTWOZLXGUNG-OAQYLSRUSA-N 0 0 449.016 4.817 50 0 IJAARN O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1cccc(Cl)c1Cl ZINC000084339064 568797101 /nfs/dbraw/zinc/79/71/01/568797101.db2.gz RQWQAQHVQANZTM-OAQYLSRUSA-N 0 0 427.172 4.705 50 0 IJAARN O=C(NCc1ccc(Cl)c(NC(=O)c2cc(Cl)ccn2)c1)c1cc(Cl)ccn1 ZINC000084341316 568797152 /nfs/dbraw/zinc/79/71/52/568797152.db2.gz UCPSMFHTMGJLOA-UHFFFAOYSA-N 0 0 435.698 4.619 50 0 IJAARN C[C@@H]1CN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)C[C@H](C)O1 ZINC000084713795 568800153 /nfs/dbraw/zinc/80/01/53/568800153.db2.gz GIQFAKHPWSIZOB-TXEJJXNPSA-N 0 0 447.379 4.985 50 0 IJAARN Cc1ccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)c1 ZINC000015629187 568800226 /nfs/dbraw/zinc/80/02/26/568800226.db2.gz IZPDVKBVWHSKJM-UHFFFAOYSA-N 0 0 427.595 4.742 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000015676225 568804189 /nfs/dbraw/zinc/80/41/89/568804189.db2.gz OHRPVYNMOHDZKF-AREMUKBSSA-N 0 0 436.600 4.665 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccco1 ZINC000015677020 568804333 /nfs/dbraw/zinc/80/43/33/568804333.db2.gz IBOVTINLVPUVSK-SANMLTNESA-N 0 0 433.552 4.878 50 0 IJAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1 ZINC000015678994 568805419 /nfs/dbraw/zinc/80/54/19/568805419.db2.gz SKJWGFSZQFUTIG-INIZCTEOSA-N 0 0 426.904 4.562 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681458 568806656 /nfs/dbraw/zinc/80/66/56/568806656.db2.gz PKSBLXCKXPUDEQ-UHFFFAOYSA-N 0 0 428.492 4.709 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C)cc2)cc1OC ZINC000001443363 568813099 /nfs/dbraw/zinc/81/30/99/568813099.db2.gz QSMMWWUBJKPDMB-SANMLTNESA-N 0 0 447.531 4.817 50 0 IJAARN O=C(Cc1cccs1)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015727893 568813113 /nfs/dbraw/zinc/81/31/13/568813113.db2.gz AINSMRQSUQLICW-UHFFFAOYSA-N 0 0 445.544 4.638 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(Nc2ccc(-n3nc(C)c(C)c3C)nn2)cc1 ZINC000013009737 568821750 /nfs/dbraw/zinc/82/17/50/568821750.db2.gz DJIFRMIERTYXNH-UHFFFAOYSA-N 0 0 428.496 4.592 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)c(C)o2)cc1 ZINC000015774627 568823256 /nfs/dbraw/zinc/82/32/56/568823256.db2.gz QNEBGDMDFLRDSC-UHFFFAOYSA-N 0 0 434.540 4.625 50 0 IJAARN CCOc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781035 568825575 /nfs/dbraw/zinc/82/55/75/568825575.db2.gz UFHUHPGOVNSVSM-OAQYLSRUSA-N 0 0 447.553 4.539 50 0 IJAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccccc1S2 ZINC000015784982 568829770 /nfs/dbraw/zinc/82/97/70/568829770.db2.gz CHFSXFIQINMNPP-UHFFFAOYSA-N 0 0 446.528 4.840 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000085653711 568832264 /nfs/dbraw/zinc/83/22/64/568832264.db2.gz WNMXCDDPPOUBTJ-UHFFFAOYSA-N 0 0 444.510 4.766 50 0 IJAARN O=C(Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1)c1cccs1 ZINC000015787073 568836427 /nfs/dbraw/zinc/83/64/27/568836427.db2.gz DVSMNMMGEUQVKD-UHFFFAOYSA-N 0 0 434.955 4.639 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001511909 568837746 /nfs/dbraw/zinc/83/77/46/568837746.db2.gz ODMYJDIRZXMKFR-UHFFFAOYSA-N 0 0 443.594 4.873 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000015796832 568838996 /nfs/dbraw/zinc/83/89/96/568838996.db2.gz LAEQCPCQGSLNOC-PBHICJAKSA-N 0 0 427.595 4.580 50 0 IJAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000015860618 568847792 /nfs/dbraw/zinc/84/77/92/568847792.db2.gz JASKHDAJXORVLK-UHFFFAOYSA-N 0 0 448.523 4.787 50 0 IJAARN O=C(CSC1=NC(c2ccccc2)=NCN1c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000015860606 568847796 /nfs/dbraw/zinc/84/77/96/568847796.db2.gz ZYIQWEVYVSHKEJ-UHFFFAOYSA-N 0 0 436.487 4.917 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)C2CCCCC2)c1C ZINC000015862516 568848865 /nfs/dbraw/zinc/84/88/65/568848865.db2.gz BBOTXVMWXSRKKL-UHFFFAOYSA-N 0 0 426.557 4.926 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000015864405 568849927 /nfs/dbraw/zinc/84/99/27/568849927.db2.gz UQPVVKFRRPQMBC-UHFFFAOYSA-N 0 0 449.511 4.962 50 0 IJAARN CCc1ccc2[nH]c(CSc3nnc(COc4cc(C)ccc4C)n3C)cc(=O)c2c1 ZINC000015865360 568850153 /nfs/dbraw/zinc/85/01/53/568850153.db2.gz ASDSXPVSPUAGOZ-UHFFFAOYSA-N 0 0 434.565 4.707 50 0 IJAARN CCc1ccccc1S(=O)(=O)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000015870205 568851769 /nfs/dbraw/zinc/85/17/69/568851769.db2.gz DAKWWBLOOWXBRL-UHFFFAOYSA-N 0 0 437.546 4.912 50 0 IJAARN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1 ZINC000015868644 568852240 /nfs/dbraw/zinc/85/22/40/568852240.db2.gz UVDPLHBEKIEPKV-GOSISDBHSA-N 0 0 437.584 4.672 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1Cl ZINC000015880677 568854229 /nfs/dbraw/zinc/85/42/29/568854229.db2.gz BUJOELDKMDGVTA-UHFFFAOYSA-N 0 0 435.336 4.953 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1C ZINC000015880729 568854234 /nfs/dbraw/zinc/85/42/34/568854234.db2.gz QMIJWQRPNDQTRA-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(C)cc1Cl ZINC000015882152 568856803 /nfs/dbraw/zinc/85/68/03/568856803.db2.gz ORTOEJRIFOFBRC-UHFFFAOYSA-N 0 0 442.972 4.815 50 0 IJAARN COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C ZINC000015976854 568861293 /nfs/dbraw/zinc/86/12/93/568861293.db2.gz XYXYDMCFNPQQRD-UHFFFAOYSA-N 0 0 434.414 4.828 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(C)cc3)C2)c2ccccc12 ZINC000012938973 568867901 /nfs/dbraw/zinc/86/79/01/568867901.db2.gz UFEXYOXOEUPUKA-NRFANRHFSA-N 0 0 430.548 4.668 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012948952 568871569 /nfs/dbraw/zinc/87/15/69/568871569.db2.gz ZIVJMSUPPFOZSO-UHFFFAOYSA-N 0 0 434.499 4.801 50 0 IJAARN C/C=C/c1cc(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1OC ZINC000016170336 568872274 /nfs/dbraw/zinc/87/22/74/568872274.db2.gz WALMWRQTSIUAFC-FSNDINTDSA-N 0 0 436.464 4.570 50 0 IJAARN CCCCOc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OC ZINC000016262005 568875122 /nfs/dbraw/zinc/87/51/22/568875122.db2.gz LLQSWAIPUZIVPG-OAQYLSRUSA-N 0 0 427.932 4.780 50 0 IJAARN CCCOc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1OCC ZINC000016262201 568875127 /nfs/dbraw/zinc/87/51/27/568875127.db2.gz JRDSGXNEKADCSJ-OAQYLSRUSA-N 0 0 427.932 4.780 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)o2)cs1 ZINC000016298369 568876193 /nfs/dbraw/zinc/87/61/93/568876193.db2.gz HZBXIPSBAZXOQC-UHFFFAOYSA-N 0 0 426.929 4.848 50 0 IJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 ZINC000575609814 568878835 /nfs/dbraw/zinc/87/88/35/568878835.db2.gz QGYSLVOJTVYZLJ-GOSISDBHSA-N 0 0 434.883 4.622 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CSc2ccccc2)cc1=O ZINC000010255044 568884308 /nfs/dbraw/zinc/88/43/08/568884308.db2.gz WJIAZXBGJABWAA-UHFFFAOYSA-N 0 0 448.466 4.807 50 0 IJAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000011398378 568885754 /nfs/dbraw/zinc/88/57/54/568885754.db2.gz QAMLOCHEEFHZNW-KRWDZBQOSA-N 0 0 426.472 4.625 50 0 IJAARN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N21 ZINC000229612107 568886722 /nfs/dbraw/zinc/88/67/22/568886722.db2.gz LEHDGEHPOHUFBQ-OSSDZZHWSA-N 0 0 448.522 4.639 50 0 IJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)c(C)s3)ccc21 ZINC000012977364 568891322 /nfs/dbraw/zinc/89/13/22/568891322.db2.gz MQFVTXJBAAPVLR-UHFFFAOYSA-N 0 0 442.342 4.898 50 0 IJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012977657 568891423 /nfs/dbraw/zinc/89/14/23/568891423.db2.gz BFRLYXPHQVPKQW-CYBMUJFWSA-N 0 0 426.485 4.883 50 0 IJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N1CCC[C@H](C)C1 ZINC000012987887 568895348 /nfs/dbraw/zinc/89/53/48/568895348.db2.gz GXEOWHZEJFBVKS-LSDHHAIUSA-N 0 0 434.993 4.585 50 0 IJAARN O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N1CCN(c2nccs2)CC1 ZINC000032907975 568895799 /nfs/dbraw/zinc/89/57/99/568895799.db2.gz ZUHCBQUUHNQFQZ-CAPFRKAQSA-N 0 0 441.503 4.634 50 0 IJAARN CCc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC(F)F)c(OC)c2)NC1=S ZINC000039976014 568896353 /nfs/dbraw/zinc/89/63/53/568896353.db2.gz BZHXNIJTWZFXDW-ZROIWOOFSA-N 0 0 434.464 4.541 50 0 IJAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000102995131 568900540 /nfs/dbraw/zinc/90/05/40/568900540.db2.gz ZDBMAILRFPXDEN-FYJGNVAPSA-N 0 0 426.472 4.668 50 0 IJAARN COc1ccc(NC(=O)c2cc(C)oc2C)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013012546 568901226 /nfs/dbraw/zinc/90/12/26/568901226.db2.gz MWDZYVSHMNDGMH-UHFFFAOYSA-N 0 0 434.901 4.612 50 0 IJAARN CCc1ccc(NC(=O)N[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)[C@H](C)CC)cc1 ZINC000035724490 568908390 /nfs/dbraw/zinc/90/83/90/568908390.db2.gz VLLLMVUOWGLMGF-BEFAXECRSA-N 0 0 437.569 4.942 50 0 IJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000136194842 568908864 /nfs/dbraw/zinc/90/88/64/568908864.db2.gz MWQRUOLFFTVKCY-OEMFJLHTSA-N 0 0 430.479 4.802 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000137846288 568909260 /nfs/dbraw/zinc/90/92/60/568909260.db2.gz QJAIQSRXULGGAZ-RJGXRXQPSA-N 0 0 426.497 4.952 50 0 IJAARN Cc1cnc2c(cccc2S(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)c1 ZINC000026837091 568917580 /nfs/dbraw/zinc/91/75/80/568917580.db2.gz BRLLQPSYUXIKMV-UHFFFAOYSA-N 0 0 431.355 4.659 50 0 IJAARN COC(=O)c1ccccc1CSc1nnc(-c2sc3ncccc3c2N)n1C1CC1 ZINC000064370088 568920021 /nfs/dbraw/zinc/92/00/21/568920021.db2.gz XGJHVOADLLQLCF-UHFFFAOYSA-N 0 0 437.550 4.551 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3C[C@H](O)C[C@@H]3c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000089455348 568925635 /nfs/dbraw/zinc/92/56/35/568925635.db2.gz KCZKKVOUTFHOJN-VQIMIIECSA-N 0 0 448.466 4.786 50 0 IJAARN CC(C)CCNC(=O)CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000016612185 568925800 /nfs/dbraw/zinc/92/58/00/568925800.db2.gz KCIHLIMGJUTRTN-UHFFFAOYSA-N 0 0 436.531 4.950 50 0 IJAARN COc1ccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1OC ZINC000089464864 568925962 /nfs/dbraw/zinc/92/59/62/568925962.db2.gz RAMKRDFBXGEGDQ-UHFFFAOYSA-N 0 0 425.554 4.802 50 0 IJAARN COc1ccc(Nc2nc(N=NCc3ccc(O)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000252628936 568926244 /nfs/dbraw/zinc/92/62/44/568926244.db2.gz TVERXDMPQYCRBM-UHFFFAOYSA-N 0 0 427.468 4.519 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(c3ccccc3F)CC1)oc1ccccc12 ZINC000089518882 568929019 /nfs/dbraw/zinc/92/90/19/568929019.db2.gz DFSPTFFPFKCHMG-KRWDZBQOSA-N 0 0 447.510 4.883 50 0 IJAARN O=C(NCc1cccc(Br)c1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459992 568929338 /nfs/dbraw/zinc/92/93/38/568929338.db2.gz BEBJZPKOUJYUGL-UHFFFAOYSA-N 0 0 441.716 4.742 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035866989 568929570 /nfs/dbraw/zinc/92/95/70/568929570.db2.gz FWRZUPSQLPVKBI-INIZCTEOSA-N 0 0 429.634 4.715 50 0 IJAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc4c(c3)OCO4)c2cc1OC ZINC000064474100 568930271 /nfs/dbraw/zinc/93/02/71/568930271.db2.gz KRYZCHWCOGWAFU-UHFFFAOYSA-N 0 0 449.507 4.596 50 0 IJAARN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccs2)cc1 ZINC000064558494 568932352 /nfs/dbraw/zinc/93/23/52/568932352.db2.gz KXXYXQQNKDOBDA-HXUWFJFHSA-N 0 0 439.558 4.692 50 0 IJAARN Cc1cccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1C ZINC000064565862 568932681 /nfs/dbraw/zinc/93/26/81/568932681.db2.gz OYPWGJROWKCTKN-UHFFFAOYSA-N 0 0 438.959 4.997 50 0 IJAARN Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000064565989 568932850 /nfs/dbraw/zinc/93/28/50/568932850.db2.gz CGKIZJLCQMEWRU-UHFFFAOYSA-N 0 0 448.420 4.747 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccc(OC)cc4)ncn3)cc2)cc1 ZINC000064568533 568933663 /nfs/dbraw/zinc/93/36/63/568933663.db2.gz PQIYELZIBXSXHJ-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(CNC(=O)C2CCN(c3ccc(Sc4ccc(Cl)cc4)nn3)CC2)o1 ZINC000064580658 568934551 /nfs/dbraw/zinc/93/45/51/568934551.db2.gz YHQSRQMLNJAEBP-UHFFFAOYSA-N 0 0 442.972 4.715 50 0 IJAARN COCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000006597794 568935500 /nfs/dbraw/zinc/93/55/00/568935500.db2.gz ZOSMLGDQFLYJOZ-UHFFFAOYSA-N 0 0 430.618 4.603 50 0 IJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2)o1 ZINC000026998026 568936777 /nfs/dbraw/zinc/93/67/77/568936777.db2.gz WSPLXQYMYDDFEY-UHFFFAOYSA-N 0 0 438.487 4.857 50 0 IJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1F ZINC000064659070 568942379 /nfs/dbraw/zinc/94/23/79/568942379.db2.gz WJRRYMJQAQKBHU-UHFFFAOYSA-N 0 0 439.306 4.808 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000064667540 568942953 /nfs/dbraw/zinc/94/29/53/568942953.db2.gz XKFDKBTVZIRAIP-UHFFFAOYSA-N 0 0 447.413 4.922 50 0 IJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000064668003 568943179 /nfs/dbraw/zinc/94/31/79/568943179.db2.gz CEHUNHRKNDYYNL-INIZCTEOSA-N 0 0 425.598 4.666 50 0 IJAARN CC(C)CNC(=O)c1cccc(Nc2c(Oc3ccc(C(C)C)cc3)cnn(C)c2=O)c1 ZINC000036073166 568945723 /nfs/dbraw/zinc/94/57/23/568945723.db2.gz FNHUELNTSCIHBP-UHFFFAOYSA-N 0 0 434.540 4.825 50 0 IJAARN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)N2CCCC2)co1)Cc1ccc(F)cc1F ZINC000036073468 568945909 /nfs/dbraw/zinc/94/59/09/568945909.db2.gz AGUYFQXPJPFOQA-KRWDZBQOSA-N 0 0 425.479 4.952 50 0 IJAARN COc1ccccc1CN(CCc1c[nH]c2ccccc12)Cc1nc(C(=O)NC(C)C)co1 ZINC000036072577 568946241 /nfs/dbraw/zinc/94/62/41/568946241.db2.gz NCLICHSEEFKFOK-UHFFFAOYSA-N 0 0 446.551 4.548 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082707 568946845 /nfs/dbraw/zinc/94/68/45/568946845.db2.gz ZRJWSDULHYVGIG-UHFFFAOYSA-N 0 0 447.432 4.927 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036083423 568947033 /nfs/dbraw/zinc/94/70/33/568947033.db2.gz BACHGDOWROKKLS-FQEVSTJZSA-N 0 0 449.334 4.976 50 0 IJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000064746868 568949500 /nfs/dbraw/zinc/94/95/00/568949500.db2.gz QJLSOWLGHFHQBP-UHFFFAOYSA-N 0 0 446.454 4.589 50 0 IJAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)Nc1ccccc1 ZINC000064746989 568950278 /nfs/dbraw/zinc/95/02/78/568950278.db2.gz UCUVHKQIUSPHGV-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN CCc1ccccc1NC(=O)Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O ZINC000064746928 568950299 /nfs/dbraw/zinc/95/02/99/568950299.db2.gz AXQOTPJSBWIYMA-UHFFFAOYSA-N 0 0 440.528 4.874 50 0 IJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1F ZINC000036105232 568953434 /nfs/dbraw/zinc/95/34/34/568953434.db2.gz GBCODYWOKHJJRI-UHFFFAOYSA-N 0 0 428.529 4.767 50 0 IJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccccc1Br ZINC000064775758 568954867 /nfs/dbraw/zinc/95/48/67/568954867.db2.gz NBTCGTRTAYUQGR-UHFFFAOYSA-N 0 0 435.321 4.582 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2cccs2)C2CC2)cs1 ZINC000036114972 568955432 /nfs/dbraw/zinc/95/54/32/568955432.db2.gz VZERFTMPDYXXSS-UHFFFAOYSA-N 0 0 430.551 4.606 50 0 IJAARN CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115918 568955449 /nfs/dbraw/zinc/95/54/49/568955449.db2.gz BDEYEFXRFYAIKV-IERDGZPVSA-N 0 0 449.016 4.801 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036115606 568955601 /nfs/dbraw/zinc/95/56/01/568955601.db2.gz LYGKWGBQHIZJKW-HXUWFJFHSA-N 0 0 449.016 4.801 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(C)=O ZINC000036115711 568955612 /nfs/dbraw/zinc/95/56/12/568955612.db2.gz LKPSTEJJFGXPDW-FOIQADDNSA-N 0 0 434.989 4.553 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4cc(Cl)ccc4C)c(=O)n23)c1 ZINC000064787935 568956277 /nfs/dbraw/zinc/95/62/77/568956277.db2.gz GHYDLNPHPRKOGM-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(Cl)cc4C)c(=O)n23)c1 ZINC000064787934 568956291 /nfs/dbraw/zinc/95/62/91/568956291.db2.gz WXQVRWMDSGSWES-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(C(C)C)cc4)c(=O)n23)c1 ZINC000064788053 568956480 /nfs/dbraw/zinc/95/64/80/568956480.db2.gz VKZBASDXTDGNQC-UHFFFAOYSA-N 0 0 449.532 4.816 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119901 568956952 /nfs/dbraw/zinc/95/69/52/568956952.db2.gz LKYLRVQSDRPQRS-DENIHFKCSA-N 0 0 442.625 4.844 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1 ZINC000036120223 568957169 /nfs/dbraw/zinc/95/71/69/568957169.db2.gz LSRAZVYCMVWCHU-QFIPXVFZSA-N 0 0 442.625 4.846 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000036121670 568957857 /nfs/dbraw/zinc/95/78/57/568957857.db2.gz SKFSZAYMMKIGTO-UWJYYQICSA-N 0 0 446.588 4.677 50 0 IJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000064794624 568960083 /nfs/dbraw/zinc/96/00/83/568960083.db2.gz OMRBSCHGJFWEPL-HNNXBMFYSA-N 0 0 441.557 4.747 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1ccc(F)cc1 ZINC000036152667 568963691 /nfs/dbraw/zinc/96/36/91/568963691.db2.gz OMCHXAXRSJZQHH-QHCPKHFHSA-N 0 0 438.549 4.784 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC(C)(C)C)c1 ZINC000064815898 568963697 /nfs/dbraw/zinc/96/36/97/568963697.db2.gz MAIOMHCKJPKBKU-DEOSSOPVSA-N 0 0 436.581 4.562 50 0 IJAARN CCCCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816752 568964420 /nfs/dbraw/zinc/96/44/20/568964420.db2.gz ZVUPFHXZFCKMGO-UHFFFAOYSA-N 0 0 436.943 4.670 50 0 IJAARN O=C(c1cccs1)N1CCS[C@@]12C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 ZINC000036155420 568964649 /nfs/dbraw/zinc/96/46/49/568964649.db2.gz NEPSZMVLDMYDMM-QFIPXVFZSA-N 0 0 440.977 4.990 50 0 IJAARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)c1ccc(C)cc1)C(=O)N2Cc1ccccc1 ZINC000036155469 568964754 /nfs/dbraw/zinc/96/47/54/568964754.db2.gz VGTYZWPAGVIHFM-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)C1CCC1)C(=O)N2Cc1ccc(F)cc1 ZINC000036153159 568965051 /nfs/dbraw/zinc/96/50/51/568965051.db2.gz MQPOJCGNPUSHGC-VWLOTQADSA-N 0 0 438.568 4.988 50 0 IJAARN COc1cc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc(OC)c1OC ZINC000064819987 568966825 /nfs/dbraw/zinc/96/68/25/568966825.db2.gz DTYJMXDRAIHNHI-UHFFFAOYSA-N 0 0 439.487 4.769 50 0 IJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1c(F)cccc1F ZINC000036167055 568967660 /nfs/dbraw/zinc/96/76/60/568967660.db2.gz BDWAHZDQBYVKJJ-XMMPIXPASA-N 0 0 442.531 4.738 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(C)cc3Cl)no2)cc1 ZINC000064840462 568969921 /nfs/dbraw/zinc/96/99/21/568969921.db2.gz JKWKTKDCQLYAMK-UHFFFAOYSA-N 0 0 428.920 4.879 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(C)c(C)c1)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842794 568971026 /nfs/dbraw/zinc/97/10/26/568971026.db2.gz CSYBILZVDMKPQK-HXUWFJFHSA-N 0 0 446.507 4.575 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000064847883 568971324 /nfs/dbraw/zinc/97/13/24/568971324.db2.gz GPWCMTRZTTVVFV-HNNXBMFYSA-N 0 0 445.947 4.876 50 0 IJAARN COc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1OC ZINC000064858558 568972240 /nfs/dbraw/zinc/97/22/40/568972240.db2.gz FPWBBQNMNCDNTK-UHFFFAOYSA-N 0 0 431.536 4.668 50 0 biogenic IJAARN CCC[C@@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1 ZINC000036206595 568973169 /nfs/dbraw/zinc/97/31/69/568973169.db2.gz NPYDZYQSRNQMPA-QGZVFWFLSA-N 0 0 443.613 4.669 50 0 IJAARN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064866594 568974615 /nfs/dbraw/zinc/97/46/15/568974615.db2.gz GVHDJJIEDVMCCI-UHFFFAOYSA-N 0 0 442.537 4.585 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccccc2OCC)=Nc2ccccc2N1 ZINC000064869702 568976387 /nfs/dbraw/zinc/97/63/87/568976387.db2.gz TWOKAUUJXRTFFL-UHFFFAOYSA-N 0 0 439.537 4.750 50 0 IJAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)=Nc2ccccc2N1 ZINC000064869877 568976476 /nfs/dbraw/zinc/97/64/76/568976476.db2.gz ZWBXDLYOBBNLTI-HNNXBMFYSA-N 0 0 439.537 4.748 50 0 IJAARN CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(CC)cc2)cc1 ZINC000064872164 568977946 /nfs/dbraw/zinc/97/79/46/568977946.db2.gz FTSFRLNRZWNRPT-UHFFFAOYSA-N 0 0 444.578 4.787 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000064888038 568979356 /nfs/dbraw/zinc/97/93/56/568979356.db2.gz NWNONNRDJMWKSD-UHFFFAOYSA-N 0 0 425.941 4.644 50 0 IJAARN CC(=O)Nc1cccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1C ZINC000064890475 568981326 /nfs/dbraw/zinc/98/13/26/568981326.db2.gz DWVADEMUUQTDDB-UHFFFAOYSA-N 0 0 443.507 4.804 50 0 IJAARN COc1cccc(N([C@@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246845 568982177 /nfs/dbraw/zinc/98/21/77/568982177.db2.gz BZYSWUDCTCMEEC-INIZCTEOSA-N 0 0 445.512 4.808 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000036247632 568982209 /nfs/dbraw/zinc/98/22/09/568982209.db2.gz AKFNIAWCEBLPPF-HNNXBMFYSA-N 0 0 429.469 4.520 50 0 IJAARN COc1cc(OC)cc(N(Cc2ccccc2OC)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247578 568982238 /nfs/dbraw/zinc/98/22/38/568982238.db2.gz SYMZAFBKLIZQJK-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1ccc(CN(c2cccc(OC)c2)S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000036248417 568982724 /nfs/dbraw/zinc/98/27/24/568982724.db2.gz HHGNQTBOGCKTCY-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2cccc(F)c2)cc1OC ZINC000036248493 568982747 /nfs/dbraw/zinc/98/27/47/568982747.db2.gz YUCOJUXDTIUYIO-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@@H](C)c2ccc(F)cc2)c1 ZINC000036248556 568983421 /nfs/dbraw/zinc/98/34/21/568983421.db2.gz XBAITYFRJJXZEG-HNNXBMFYSA-N 0 0 429.469 4.520 50 0 IJAARN COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000064928077 568986848 /nfs/dbraw/zinc/98/68/48/568986848.db2.gz SNLZAYQNRUSNFG-UHFFFAOYSA-N 0 0 429.948 4.607 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928958 568987235 /nfs/dbraw/zinc/98/72/35/568987235.db2.gz UNHLANQMVWCGGY-DENIHFKCSA-N 0 0 432.543 4.637 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928941 568987288 /nfs/dbraw/zinc/98/72/88/568987288.db2.gz WEOHNQXTBZPOSA-MRXNPFEDSA-N 0 0 440.906 4.800 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000064930184 568987952 /nfs/dbraw/zinc/98/79/52/568987952.db2.gz PLBGZRADMFEMFZ-QGZVFWFLSA-N 0 0 426.929 4.730 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2cccc(F)c2)s1 ZINC000064930226 568988022 /nfs/dbraw/zinc/98/80/22/568988022.db2.gz SZVYRCYPLQTXLW-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3ccccc3Cl)s2)cc1 ZINC000064930120 568988515 /nfs/dbraw/zinc/98/85/15/568988515.db2.gz XKEGVKOXBRUHPX-KRWDZBQOSA-N 0 0 426.929 4.730 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930357 568988705 /nfs/dbraw/zinc/98/87/05/568988705.db2.gz KQRKMPISAAIYHF-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930672 568989031 /nfs/dbraw/zinc/98/90/31/568989031.db2.gz ZCMZELXTBDGKTO-MRXNPFEDSA-N 0 0 427.917 4.813 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3F)s2)c1C ZINC000064930798 568989208 /nfs/dbraw/zinc/98/92/08/568989208.db2.gz IJQVNECEVUEGKR-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064930857 568989286 /nfs/dbraw/zinc/98/92/86/568989286.db2.gz DCFSAXFNPVAHOE-KRWDZBQOSA-N 0 0 443.479 4.746 50 0 IJAARN CCOc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1 ZINC000064944098 568993227 /nfs/dbraw/zinc/99/32/27/568993227.db2.gz POKNVVGBNNZYMB-UHFFFAOYSA-N 0 0 443.598 4.596 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944306 568993294 /nfs/dbraw/zinc/99/32/94/568993294.db2.gz XSFZSBFSZUJTSW-UHFFFAOYSA-N 0 0 443.598 4.596 50 0 IJAARN COc1ccc(NC(=O)CSc2ccc(NCc3ccc(F)cc3)nn2)cc1Cl ZINC000064944960 568993443 /nfs/dbraw/zinc/99/34/43/568993443.db2.gz QTTMVZTXWXZJBG-UHFFFAOYSA-N 0 0 432.908 4.621 50 0 IJAARN O=C(CSc1nc2ccccc2n2c(-c3ccccc3)nnc12)Nc1cccc(F)c1 ZINC000064949320 568994997 /nfs/dbraw/zinc/99/49/97/568994997.db2.gz RLJAGVUGYTVNPW-UHFFFAOYSA-N 0 0 429.480 4.814 50 0 IJAARN CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310539 568996646 /nfs/dbraw/zinc/99/66/46/568996646.db2.gz MGMMLSPSSCTJSE-HYBUGGRVSA-N 0 0 442.648 4.681 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1cccc(F)c1 ZINC000036312386 568997573 /nfs/dbraw/zinc/99/75/73/568997573.db2.gz CDSGYNAWAUWCLJ-UHFFFAOYSA-N 0 0 437.515 4.760 50 0 IJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NCCc3c[nH]c4ccccc34)c(C)c12 ZINC000006809057 568998200 /nfs/dbraw/zinc/99/82/00/568998200.db2.gz YNBGLJQQNSIVHF-UHFFFAOYSA-N 0 0 431.584 4.884 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2ccccc2)c1 ZINC000036314374 568998342 /nfs/dbraw/zinc/99/83/42/568998342.db2.gz WPSURFTUHRIYMH-UHFFFAOYSA-N 0 0 431.536 4.539 50 0 IJAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1OC ZINC000064955860 568998685 /nfs/dbraw/zinc/99/86/85/568998685.db2.gz TZMYKLBZWKGCED-INIZCTEOSA-N 0 0 433.483 4.732 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 ZINC000036314201 568998965 /nfs/dbraw/zinc/99/89/65/568998965.db2.gz YLWDHGRZWXQCKI-UHFFFAOYSA-N 0 0 437.515 4.677 50 0 IJAARN COc1ccccc1NC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957133 568999450 /nfs/dbraw/zinc/99/94/50/568999450.db2.gz PBRMAAJDDDCMNQ-UHFFFAOYSA-N 0 0 442.519 4.853 50 0 IJAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4ccc(C(C)C)cc4)c(=O)[nH]c3C2)cc1 ZINC000064959122 568999876 /nfs/dbraw/zinc/99/98/76/568999876.db2.gz GYNAQYLBDWTIJN-GOSISDBHSA-N 0 0 430.504 4.672 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(NCc2ccccc2OCC)n1 ZINC000064960335 569000149 /nfs/dbraw/zinc/00/01/49/569000149.db2.gz FTOONPSAUJCNCD-UHFFFAOYSA-N 0 0 436.443 4.611 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccc(Cl)cc3)c2c(NCc2cccc(F)c2)n1 ZINC000064960266 569000193 /nfs/dbraw/zinc/00/01/93/569000193.db2.gz GHWHLSVUSMTVJH-UHFFFAOYSA-N 0 0 426.835 4.866 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000064960806 569000428 /nfs/dbraw/zinc/00/04/28/569000428.db2.gz IXFNIHHEBHLYJZ-UHFFFAOYSA-N 0 0 429.517 4.567 50 0 IJAARN COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(Cl)c3)c2C)c(C)o1 ZINC000064967476 569001222 /nfs/dbraw/zinc/00/12/22/569001222.db2.gz GYUDNFUGDKBLAF-UHFFFAOYSA-N 0 0 437.887 4.513 50 0 IJAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4ccc(C(C)C)cc4)ccc32)cc1 ZINC000064976979 569077390 /nfs/dbraw/zinc/07/73/90/569077390.db2.gz YNAJURSCFIWSHZ-UHFFFAOYSA-N 0 0 448.588 4.800 50 0 IJAARN CSc1cccc(NC(=O)CCc2c(C)n(C)c3cc(-c4ccccc4C)nn3c2=O)c1 ZINC000064977690 569077539 /nfs/dbraw/zinc/07/75/39/569077539.db2.gz PWFBOSNFNZXFFW-UHFFFAOYSA-N 0 0 446.576 4.610 50 0 IJAARN CN1c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Sc2ccccc2C1=O ZINC000064979713 569078220 /nfs/dbraw/zinc/07/82/20/569078220.db2.gz DJUALNZWVUVYJY-UHFFFAOYSA-N 0 0 428.469 4.787 50 0 IJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc5c(c4)nnn5C4CCCC4)no3)CC2=O)cc1C ZINC000064980038 569078320 /nfs/dbraw/zinc/07/83/20/569078320.db2.gz JRBPPWAIXWZSET-GOSISDBHSA-N 0 0 442.523 4.734 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)Cc4ccc(Cl)cc4)ccc3C[C@@H]2C)cc1 ZINC000064990214 569083243 /nfs/dbraw/zinc/08/32/43/569083243.db2.gz GVRWIQQRLGSATE-KRWDZBQOSA-N 0 0 448.950 4.799 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000064988755 569083675 /nfs/dbraw/zinc/08/36/75/569083675.db2.gz SXCMSVUDWRAODH-UHFFFAOYSA-N 0 0 444.938 4.722 50 0 IJAARN O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036353098 569083906 /nfs/dbraw/zinc/08/39/06/569083906.db2.gz NYCIPZKQXIZZOU-XMMPIXPASA-N 0 0 443.522 4.984 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCCC4)s3)c2C)cc1 ZINC000064998664 569085421 /nfs/dbraw/zinc/08/54/21/569085421.db2.gz LJIGOEWHROZREB-UHFFFAOYSA-N 0 0 439.585 4.859 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N4CCc5ccccc54)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000465 569085865 /nfs/dbraw/zinc/08/58/65/569085865.db2.gz PFBWCXHSWURFPM-UHFFFAOYSA-N 0 0 426.516 4.504 50 0 IJAARN CCOc1ccccc1N(CC)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840766 569086473 /nfs/dbraw/zinc/08/64/73/569086473.db2.gz ZVEPTNFGLIFKNV-UHFFFAOYSA-N 0 0 425.554 4.558 50 0 IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 ZINC000036359949 569086585 /nfs/dbraw/zinc/08/65/85/569086585.db2.gz XWQCYPUUUOQKQO-GOSISDBHSA-N 0 0 446.898 4.722 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCc2ccco2)CC1 ZINC000065006318 569087282 /nfs/dbraw/zinc/08/72/82/569087282.db2.gz VPLZGJXDKMIATC-UHFFFAOYSA-N 0 0 437.565 4.579 50 0 IJAARN Cc1ccc(-c2ccc(NCCC3=CCCCC3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009231 569087901 /nfs/dbraw/zinc/08/79/01/569087901.db2.gz ALGDMGARWIEUTE-UHFFFAOYSA-N 0 0 440.613 4.929 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccccc3F)c2oc1C(=O)N1CCCC1 ZINC000065010467 569088127 /nfs/dbraw/zinc/08/81/27/569088127.db2.gz XWNLPZLRNBZGRN-UHFFFAOYSA-N 0 0 430.501 4.534 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)cc1 ZINC000065023574 569089316 /nfs/dbraw/zinc/08/93/16/569089316.db2.gz FTMJSBYONRUCRX-QFIPXVFZSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)CNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027363 569090283 /nfs/dbraw/zinc/09/02/83/569090283.db2.gz VSDPDPNXAHEHGW-UHFFFAOYSA-N 0 0 427.888 4.545 50 0 IJAARN COc1cccc(Cn2nnc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000065030324 569091175 /nfs/dbraw/zinc/09/11/75/569091175.db2.gz BVQIAXPVWFNIOI-UHFFFAOYSA-N 0 0 426.398 4.759 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000036379649 569091836 /nfs/dbraw/zinc/09/18/36/569091836.db2.gz BZGCKIVKAUHLJM-CJFMBICVSA-N 0 0 434.561 4.562 50 0 IJAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4c(F)c(Cl)ccc4c(=O)c3C2)c(Cl)c1 ZINC000065034994 569092434 /nfs/dbraw/zinc/09/24/34/569092434.db2.gz NRHJAJIYRFGVJY-UHFFFAOYSA-N 0 0 434.298 4.692 50 0 IJAARN CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000036386124 569092924 /nfs/dbraw/zinc/09/29/24/569092924.db2.gz ZHJHWQJOQPSQLR-JNNRSPCRSA-N 0 0 437.367 4.537 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCCN(c2cc(-c3ccc(C)c(C)c3)[nH]n2)CC1 ZINC000169753134 569093373 /nfs/dbraw/zinc/09/33/73/569093373.db2.gz QRFLZEISZFMHNS-UHFFFAOYSA-N 0 0 438.959 4.708 50 0 IJAARN O=C1C[C@@H](c2noc(-c3cccc(OC(F)(F)F)c3)n2)CN1c1ccc(F)c(Cl)c1 ZINC000169755195 569093463 /nfs/dbraw/zinc/09/34/63/569093463.db2.gz IEJCHJXQEZMAEC-LLVKDONJSA-N 0 0 441.768 4.948 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3Cl)n2)cc1F ZINC000169754421 569093844 /nfs/dbraw/zinc/09/38/44/569093844.db2.gz DGDCEBLMWKFDRC-UHFFFAOYSA-N 0 0 426.835 4.645 50 0 IJAARN CSc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)n2)cc1 ZINC000169759005 569094086 /nfs/dbraw/zinc/09/40/86/569094086.db2.gz AAZWZQDWLNTTCG-KRWDZBQOSA-N 0 0 425.901 4.642 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)c1 ZINC000065057800 569095319 /nfs/dbraw/zinc/09/53/19/569095319.db2.gz GOUQRNFQAPOEAP-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000065058965 569095944 /nfs/dbraw/zinc/09/59/44/569095944.db2.gz QCVTWJHWMMPBCY-OAQYLSRUSA-N 0 0 437.437 4.795 50 0 IJAARN COc1ccc([C@H](CC(=O)Nc2ccccc2N2CCc3ccccc32)NC(C)=O)cc1 ZINC000036392221 569098160 /nfs/dbraw/zinc/09/81/60/569098160.db2.gz CWBRFTFKIODORX-QHCPKHFHSA-N 0 0 429.520 4.595 50 0 IJAARN O=C(c1cc(-c2ccco2)on1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000036392464 569098307 /nfs/dbraw/zinc/09/83/07/569098307.db2.gz SSCOGHJBYQYFLC-UHFFFAOYSA-N 0 0 449.457 4.760 50 0 IJAARN CSc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)cc1 ZINC000065075055 569099421 /nfs/dbraw/zinc/09/94/21/569099421.db2.gz SNTVUTPWDAXIIY-AREMUKBSSA-N 0 0 430.573 4.995 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000065075308 569099654 /nfs/dbraw/zinc/09/96/54/569099654.db2.gz DJVDEHOLLMKXAM-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4ccc(Br)cc4)CC3)no2)c1 ZINC000065076839 569099972 /nfs/dbraw/zinc/09/99/72/569099972.db2.gz NYUNRBCOEFFDBY-UHFFFAOYSA-N 0 0 442.313 4.528 50 0 IJAARN O=C(CSc1ccccc1Cl)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000036397854 569100976 /nfs/dbraw/zinc/10/09/76/569100976.db2.gz IKGOCLNKMPRRKB-UHFFFAOYSA-N 0 0 429.895 4.631 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)C2)o1 ZINC000065080938 569101139 /nfs/dbraw/zinc/10/11/39/569101139.db2.gz ZQQXXGKRVJPSAZ-SFHVURJKSA-N 0 0 449.580 4.533 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)sc12 ZINC000065080959 569101151 /nfs/dbraw/zinc/10/11/51/569101151.db2.gz HKAWNCWEOXJEJO-GOSISDBHSA-N 0 0 437.613 4.764 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccc(NC(=O)c3ccccc3F)cc2C1 ZINC000065081933 569102019 /nfs/dbraw/zinc/10/20/19/569102019.db2.gz UQNFTNDUUYTCPF-GHTZIAJQSA-N 0 0 446.522 4.767 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)N[C@H](C)CCc2ccccc2)CO3)c1 ZINC000065082098 569102107 /nfs/dbraw/zinc/10/21/07/569102107.db2.gz IYANKSBNHTVMML-YKSBVNFPSA-N 0 0 442.559 4.936 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(F)cc1)CO2)c1cccc(Cl)c1 ZINC000065082775 569102341 /nfs/dbraw/zinc/10/23/41/569102341.db2.gz GPTUNDRFBOOTTA-GOSISDBHSA-N 0 0 438.886 4.599 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000065086570 569102997 /nfs/dbraw/zinc/10/29/97/569102997.db2.gz CMFNOYBZWCRWRY-UHFFFAOYSA-N 0 0 437.956 4.834 50 0 IJAARN Cc1ccc(Oc2nccnc2SCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000065102761 569106212 /nfs/dbraw/zinc/10/62/12/569106212.db2.gz VFFOFXVEHGEKEC-UHFFFAOYSA-N 0 0 448.592 4.635 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2nccnc2Oc2ccccc2C)cc1Cl ZINC000065111135 569106331 /nfs/dbraw/zinc/10/63/31/569106331.db2.gz BMKCDXRUSHEVSU-UHFFFAOYSA-N 0 0 445.928 4.979 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000065116314 569107361 /nfs/dbraw/zinc/10/73/61/569107361.db2.gz MMXHSEHOUALJJK-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C1 ZINC000036437884 569109392 /nfs/dbraw/zinc/10/93/92/569109392.db2.gz HFAHGUJXOVZMEE-OXQOHEQNSA-N 0 0 431.989 4.520 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3CCCC[C@@H]3C)ncn2)c(Br)c1 ZINC000065133556 569110064 /nfs/dbraw/zinc/11/00/64/569110064.db2.gz MDTWNJGSADUHNV-AWEZNQCLSA-N 0 0 435.391 4.657 50 0 IJAARN Cc1cc(OCC(=O)N[C@H]2CCc3ccccc32)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134161 569110154 /nfs/dbraw/zinc/11/01/54/569110154.db2.gz AYNMIGKFWHQNAQ-IBGZPJMESA-N 0 0 427.426 4.653 50 0 IJAARN COc1ccccc1CNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000065136899 569110440 /nfs/dbraw/zinc/11/04/40/569110440.db2.gz PZZBJFCECMCGFU-KRWDZBQOSA-N 0 0 429.948 4.689 50 0 IJAARN COc1ccccc1NC(=O)CSc1nccc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000065151282 569111810 /nfs/dbraw/zinc/11/18/10/569111810.db2.gz YAMDCQHEZNLXDO-UHFFFAOYSA-N 0 0 448.592 4.675 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@](O)(c3cccc(Cl)c3)C2=O)c(Cl)c1 ZINC000065155476 569112422 /nfs/dbraw/zinc/11/24/22/569112422.db2.gz VSBBBHFFQQNKML-HSZRJFAPSA-N 0 0 441.314 4.523 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1N1CCCCC1 ZINC000065165858 569113057 /nfs/dbraw/zinc/11/30/57/569113057.db2.gz RJPVOLOOLVWOOO-UHFFFAOYSA-N 0 0 429.923 4.748 50 0 IJAARN O=C(NCc1cc(F)cc(F)c1)c1ccc(NC(=O)C2CCC2)cc1N1CCCCC1 ZINC000065165911 569113149 /nfs/dbraw/zinc/11/31/49/569113149.db2.gz AISGDAQOWMSZIX-UHFFFAOYSA-N 0 0 427.495 4.624 50 0 IJAARN CC[C@H](C(=O)N1CCC(COc2ccc(C(=O)N3CCCC3)cc2)CC1)c1ccccc1 ZINC000065179823 569113599 /nfs/dbraw/zinc/11/35/99/569113599.db2.gz OOCKSZQPCZGGNK-VWLOTQADSA-N 0 0 434.580 4.734 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1)N1CCCCC1 ZINC000065179782 569113655 /nfs/dbraw/zinc/11/36/55/569113655.db2.gz QAHQDYBMQYFFFB-UHFFFAOYSA-N 0 0 446.591 4.662 50 0 IJAARN CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000065180225 569113720 /nfs/dbraw/zinc/11/37/20/569113720.db2.gz QFURWKSRSUVCFM-UHFFFAOYSA-N 0 0 432.923 4.549 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3ccc(CC)cc3)cccn12 ZINC000065185253 569114204 /nfs/dbraw/zinc/11/42/04/569114204.db2.gz LBWSIKGLSUTQKZ-UHFFFAOYSA-N 0 0 448.592 4.866 50 0 IJAARN CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3cc(C)cc(C)c3)cccn12 ZINC000065185247 569114212 /nfs/dbraw/zinc/11/42/12/569114212.db2.gz KBEBFWCJKVYYFK-UHFFFAOYSA-N 0 0 434.565 4.612 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)cc1F ZINC000065178499 569114453 /nfs/dbraw/zinc/11/44/53/569114453.db2.gz QXAQQZXNFYFPID-FQEVSTJZSA-N 0 0 438.543 4.691 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3Cl)C2)cc1)N1CCCC1 ZINC000065178753 569114530 /nfs/dbraw/zinc/11/45/30/569114530.db2.gz VFGGBSIQKDKFAE-QGZVFWFLSA-N 0 0 444.934 4.646 50 0 IJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1ccc(Cl)cc1 ZINC000065194838 569114812 /nfs/dbraw/zinc/11/48/12/569114812.db2.gz BKEREJZAULFHKF-UHFFFAOYSA-N 0 0 426.929 4.853 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCN(C(=O)c2ccccc2)C3)cc1 ZINC000065201275 569116227 /nfs/dbraw/zinc/11/62/27/569116227.db2.gz ZKKFEBDDIGVPIP-QGZVFWFLSA-N 0 0 434.561 4.836 50 0 IJAARN C[C@@H](NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1)c1cccs1 ZINC000065209887 569116585 /nfs/dbraw/zinc/11/65/85/569116585.db2.gz NTPMKXWXLOOYDL-OAHLLOKOSA-N 0 0 445.548 4.687 50 0 IJAARN COc1cccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)c1OC ZINC000065219312 569117123 /nfs/dbraw/zinc/11/71/23/569117123.db2.gz UHQVHNYCZJDZHG-UHFFFAOYSA-N 0 0 425.441 4.874 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccsc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000065219406 569117163 /nfs/dbraw/zinc/11/71/63/569117163.db2.gz UBEYFDMRNVBJOE-UHFFFAOYSA-N 0 0 443.431 4.769 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccsc2-c2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000065219450 569117198 /nfs/dbraw/zinc/11/71/98/569117198.db2.gz DFONEEIXNGFVFK-UHFFFAOYSA-N 0 0 443.431 4.769 50 0 IJAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCC(c1ccccc1)c1ccccc1 ZINC000036596683 569118786 /nfs/dbraw/zinc/11/87/86/569118786.db2.gz BIBLNBDBTNYGIV-XMMPIXPASA-N 0 0 441.531 4.505 50 0 IJAARN CSc1cccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)c1 ZINC000065232339 569118972 /nfs/dbraw/zinc/11/89/72/569118972.db2.gz GVQVKOJEYBJHLV-UHFFFAOYSA-N 0 0 442.585 4.743 50 0 IJAARN CSc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)cc1 ZINC000065232344 569119030 /nfs/dbraw/zinc/11/90/30/569119030.db2.gz GDWJVLSFGMWQSM-UHFFFAOYSA-N 0 0 442.585 4.743 50 0 IJAARN CCN1c2cc(Cl)ccc2C(=O)NC12CCN(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000065235511 569119267 /nfs/dbraw/zinc/11/92/67/569119267.db2.gz SXSGPNBLVJGIAI-UHFFFAOYSA-N 0 0 426.948 4.551 50 0 biogenic IJAARN CCn1ncc([C@H](C)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c1C ZINC000036613525 569123878 /nfs/dbraw/zinc/12/38/78/569123878.db2.gz UCQACSHKWSAROP-INIZCTEOSA-N 0 0 430.556 4.751 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065258399 569124430 /nfs/dbraw/zinc/12/44/30/569124430.db2.gz GOZBAWHJDSAWLZ-UHFFFAOYSA-N 0 0 425.897 4.737 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C)c(Cl)c1 ZINC000065258416 569124499 /nfs/dbraw/zinc/12/44/99/569124499.db2.gz HVCQBLOBAGDLGD-UHFFFAOYSA-N 0 0 439.924 4.666 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cccc(C)c3)cc2c1C ZINC000036620886 569126054 /nfs/dbraw/zinc/12/60/54/569126054.db2.gz BRFQMXZREOMUOZ-HXUWFJFHSA-N 0 0 427.522 4.752 50 0 IJAARN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccccc4C(F)(F)F)CC3)c12 ZINC000065301530 569132854 /nfs/dbraw/zinc/13/28/54/569132854.db2.gz SSJGACIIMRRTRO-UHFFFAOYSA-N 0 0 448.514 4.860 50 0 IJAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3c(C)c(C)cc(C)c3C)n2)cc1 ZINC000065320712 569136213 /nfs/dbraw/zinc/13/62/13/569136213.db2.gz PGAVPWAJKAZAIW-HXUWFJFHSA-N 0 0 425.554 4.805 50 0 IJAARN Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)c1 ZINC000065320818 569136267 /nfs/dbraw/zinc/13/62/67/569136267.db2.gz NQDNYKDLTFSYJS-HXUWFJFHSA-N 0 0 425.554 4.868 50 0 IJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc1 ZINC000036748378 569137522 /nfs/dbraw/zinc/13/75/22/569137522.db2.gz VXWNPDUVFSUXFA-HNNXBMFYSA-N 0 0 445.350 4.871 50 0 IJAARN CCCNC(=O)c1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 ZINC000065594073 569140062 /nfs/dbraw/zinc/14/00/62/569140062.db2.gz DLJWIUITGMYPBL-UHFFFAOYSA-N 0 0 430.346 4.790 50 0 IJAARN CC[C@@H](NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1ccc(Br)cc1 ZINC000037117669 569140175 /nfs/dbraw/zinc/14/01/75/569140175.db2.gz DZLJUNKISDORGX-RTWAWAEBSA-N 0 0 427.342 4.981 50 0 IJAARN COc1cccc(N[C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc2)c1 ZINC000170599983 569142614 /nfs/dbraw/zinc/14/26/14/569142614.db2.gz VIILTMYGQYNUQL-DEOSSOPVSA-N 0 0 429.520 4.627 50 0 IJAARN O=C(c1nc[nH]c1C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000170600732 569142968 /nfs/dbraw/zinc/14/29/68/569142968.db2.gz BTRDTSLIMMXZOW-UHFFFAOYSA-N 0 0 427.426 4.679 50 0 IJAARN O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000170607641 569144438 /nfs/dbraw/zinc/14/44/38/569144438.db2.gz KMGOHDMFTZAZMT-LEWJYISDSA-N 0 0 443.385 4.672 50 0 IJAARN O=C(c1cccn1C1CC1)N(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccn2C2CC2)C1 ZINC000170611332 569145271 /nfs/dbraw/zinc/14/52/71/569145271.db2.gz KCEOLQAARCIOTH-QHCPKHFHSA-N 0 0 442.563 4.517 50 0 IJAARN COc1ccc(Oc2c(CCC(=O)N(C)C(C)C)c(C)nn2-c2ccc(OC)cc2)cc1 ZINC000037278641 569145449 /nfs/dbraw/zinc/14/54/49/569145449.db2.gz WSBHWTYVONJXQV-UHFFFAOYSA-N 0 0 437.540 4.790 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NC3CC3)c2)c1 ZINC000037280355 569145833 /nfs/dbraw/zinc/14/58/33/569145833.db2.gz MTSHLIMVGRHJFW-UHFFFAOYSA-N 0 0 428.532 4.672 50 0 IJAARN Cc1c(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008765727 569145908 /nfs/dbraw/zinc/14/59/08/569145908.db2.gz WRUACNQSKTXDCE-UHFFFAOYSA-N 0 0 445.906 4.621 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000037281066 569145994 /nfs/dbraw/zinc/14/59/94/569145994.db2.gz YNXNXGWCDRHQSE-CLJLJLNGSA-N 0 0 446.591 4.563 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037281185 569146023 /nfs/dbraw/zinc/14/60/23/569146023.db2.gz BTIWNUYMOZXEDP-ZEQRLZLVSA-N 0 0 440.559 4.638 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037281191 569146127 /nfs/dbraw/zinc/14/61/27/569146127.db2.gz BTIWNUYMOZXEDP-DNQXCXABSA-N 0 0 440.559 4.638 50 0 IJAARN FC(F)(F)c1ccc(-c2nc(CN3CCn4c(Br)cnc4C3)cs2)cc1 ZINC000170616786 569146755 /nfs/dbraw/zinc/14/67/55/569146755.db2.gz GKQWTGXSCXJSOA-UHFFFAOYSA-N 0 0 443.292 4.804 50 0 IJAARN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000170616032 569146890 /nfs/dbraw/zinc/14/68/90/569146890.db2.gz JJWTUOISFYSGBI-MRXNPFEDSA-N 0 0 442.951 4.504 50 0 IJAARN COc1cc(OC)c(S(=O)(=O)N(c2ccc(Cl)c(Cl)c2)C(C)C)c(OC)c1 ZINC000170617414 569147307 /nfs/dbraw/zinc/14/73/07/569147307.db2.gz PIYBRQWXIIEOSZ-UHFFFAOYSA-N 0 0 434.341 4.623 50 0 IJAARN C[C@@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@H](c2ccccc2)O1 ZINC000170621981 569147718 /nfs/dbraw/zinc/14/77/18/569147718.db2.gz SYEWSJFGGTWCTH-XMSQKQJNSA-N 0 0 428.960 4.560 50 0 IJAARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)N[C@@H]1c1csc(C2CC2)n1 ZINC000170623367 569148274 /nfs/dbraw/zinc/14/82/74/569148274.db2.gz WIYGKMMCCPKNDO-MRXNPFEDSA-N 0 0 448.342 4.501 50 0 IJAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009870007 569149353 /nfs/dbraw/zinc/14/93/53/569149353.db2.gz VXPRDKDHENQUPM-RUZDIDTESA-N 0 0 437.499 4.599 50 0 IJAARN COc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@@H]2CCCO2)cc1 ZINC000009870748 569149389 /nfs/dbraw/zinc/14/93/89/569149389.db2.gz GRBOIPKRIAILBV-SFHVURJKSA-N 0 0 438.509 4.673 50 0 IJAARN O=C(COC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000010029371 569151927 /nfs/dbraw/zinc/15/19/27/569151927.db2.gz UFPSGGTWKIEYEW-UHFFFAOYSA-N 0 0 429.860 4.879 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000010059766 569152293 /nfs/dbraw/zinc/15/22/93/569152293.db2.gz SZTCZLOTYUKDDR-FCHUYYIVSA-N 0 0 440.503 4.677 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010119415 569152746 /nfs/dbraw/zinc/15/27/46/569152746.db2.gz CUKDYRNAMAFJLK-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000010218953 569153584 /nfs/dbraw/zinc/15/35/84/569153584.db2.gz NJVUALOLIGCLDM-UHFFFAOYSA-N 0 0 438.480 4.827 50 0 IJAARN O=C(Nc1ccc(N2CCOC2=O)cc1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000071821439 569154684 /nfs/dbraw/zinc/15/46/84/569154684.db2.gz HPBDNDOOAUKSMN-UHFFFAOYSA-N 0 0 434.677 4.793 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000013522812 569155532 /nfs/dbraw/zinc/15/55/32/569155532.db2.gz INNGBKVQZUHADZ-QZTJIDSGSA-N 0 0 425.488 4.720 50 0 IJAARN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 ZINC000013696275 569156520 /nfs/dbraw/zinc/15/65/20/569156520.db2.gz IIZGEYBVIMKPGB-UHFFFAOYSA-N 0 0 432.954 4.546 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013696257 569156562 /nfs/dbraw/zinc/15/65/62/569156562.db2.gz OBCUDVVRMWZUPY-UHFFFAOYSA-N 0 0 432.954 4.714 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000013716729 569156785 /nfs/dbraw/zinc/15/67/85/569156785.db2.gz UAXJHTYSGVQWIC-UHFFFAOYSA-N 0 0 449.359 4.931 50 0 IJAARN COc1ccc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000014068655 569157710 /nfs/dbraw/zinc/15/77/10/569157710.db2.gz BMVSGEGCUIHYAW-UHFFFAOYSA-N 0 0 427.547 4.853 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)nn2-c2cccc(Cl)c2)cc1 ZINC000014609986 569159490 /nfs/dbraw/zinc/15/94/90/569159490.db2.gz HNDWDGVZCJMOLI-UHFFFAOYSA-N 0 0 444.922 4.795 50 0 IJAARN COc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014610012 569159505 /nfs/dbraw/zinc/15/95/05/569159505.db2.gz CHFYZGNVGQYDRO-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)nn2-c2ccccc2Cl)cc1 ZINC000014610102 569159590 /nfs/dbraw/zinc/15/95/90/569159590.db2.gz VDLWNCYIXAKSAK-UHFFFAOYSA-N 0 0 434.883 4.857 50 0 IJAARN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccccc2)cc1OC ZINC000089669252 569161189 /nfs/dbraw/zinc/16/11/89/569161189.db2.gz FEEAWBGEJYOPLG-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5OC)oc4C)ccn3n2)cc1 ZINC000016840092 569163132 /nfs/dbraw/zinc/16/31/32/569163132.db2.gz RZTKPNHHYJHLKF-UHFFFAOYSA-N 0 0 440.503 4.746 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 ZINC000016841078 569163230 /nfs/dbraw/zinc/16/32/30/569163230.db2.gz ALTIAROUHDWYNC-UHFFFAOYSA-N 0 0 447.310 4.622 50 0 IJAARN Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)n1 ZINC000016846556 569163935 /nfs/dbraw/zinc/16/39/35/569163935.db2.gz KZWRUGCYMYIWJE-UHFFFAOYSA-N 0 0 429.498 4.738 50 0 IJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000089814036 569165123 /nfs/dbraw/zinc/16/51/23/569165123.db2.gz RSOHOQZATVIQFK-FQEVSTJZSA-N 0 0 445.947 4.538 50 0 IJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891095 569165521 /nfs/dbraw/zinc/16/55/21/569165521.db2.gz WOVOTASTWRZPLK-GAJHUEQPSA-N 0 0 441.547 4.708 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 ZINC000014705530 569168547 /nfs/dbraw/zinc/16/85/47/569168547.db2.gz VCTLFEKEUXIECF-FQEVSTJZSA-N 0 0 433.537 4.612 50 0 IJAARN O=C(Cn1cnc2ccsc2c1=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000014702944 569168565 /nfs/dbraw/zinc/16/85/65/569168565.db2.gz LTSXSEYILHAJHR-UHFFFAOYSA-N 0 0 425.307 4.770 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@@H]1C ZINC000037355973 569171273 /nfs/dbraw/zinc/17/12/73/569171273.db2.gz DSYKBWZNICKLGR-PMACEKPBSA-N 0 0 440.588 4.839 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)ncn1 ZINC000037356074 569171378 /nfs/dbraw/zinc/17/13/78/569171378.db2.gz ZGWVRDNSPJNTPR-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN O=c1c(Cl)c(NCC2(c3ccccc3)CCOCC2)cnn1-c1ccc(Cl)cc1 ZINC000170632740 569172181 /nfs/dbraw/zinc/17/21/81/569172181.db2.gz SNTPKOMKZAIHAA-UHFFFAOYSA-N 0 0 430.335 4.700 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)c(Cl)c4)ncn3)CC2)cc1 ZINC000037356581 569172261 /nfs/dbraw/zinc/17/22/61/569172261.db2.gz UHDQRLLBNOEHKW-UHFFFAOYSA-N 0 0 440.906 4.586 50 0 IJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357658 569174742 /nfs/dbraw/zinc/17/47/42/569174742.db2.gz NOVXLEBVQOBZDE-UHFFFAOYSA-N 0 0 425.323 4.972 50 0 IJAARN O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000017169933 569175387 /nfs/dbraw/zinc/17/53/87/569175387.db2.gz BSNZVNQWCXSXOP-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN COc1ccccc1-c1nc(N2CCCCC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358654 569176425 /nfs/dbraw/zinc/17/64/25/569176425.db2.gz IWDRYWFSMPINAX-UHFFFAOYSA-N 0 0 434.931 4.717 50 0 IJAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 ZINC000001123773 569176837 /nfs/dbraw/zinc/17/68/37/569176837.db2.gz NEEQKVFQGFNQDG-OAHLLOKOSA-N 0 0 443.569 4.594 50 0 IJAARN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000002078720 569177103 /nfs/dbraw/zinc/17/71/03/569177103.db2.gz BEYYAGCQOUEDDW-WWEJGBHESA-N 0 0 430.287 4.748 50 0 IJAARN COc1cccc(OCCOc2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cc2)c1 ZINC000002822795 569177492 /nfs/dbraw/zinc/17/74/92/569177492.db2.gz XWEPRVUPDNAUKE-LFVJCYFKSA-N 0 0 429.472 4.806 50 0 IJAARN CCc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002875500 569177586 /nfs/dbraw/zinc/17/75/86/569177586.db2.gz MJFIWQVASOZMNA-FQEVSTJZSA-N 0 0 436.577 4.630 50 0 IJAARN CCOc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002093343 569178927 /nfs/dbraw/zinc/17/89/27/569178927.db2.gz AQTQWUOYTHBLNZ-UHFFFAOYSA-N 0 0 440.448 4.766 50 0 IJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NC(=O)OCc3ccccc3)ccc12 ZINC000002093533 569178987 /nfs/dbraw/zinc/17/89/87/569178987.db2.gz BLBZKRVJIUMZCQ-FQEVSTJZSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CC[C@H](C)N1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002097264 569179447 /nfs/dbraw/zinc/17/94/47/569179447.db2.gz XDBHFLWZLDVQGE-UIIQVKDUSA-N 0 0 429.564 4.775 50 0 biogenic IJAARN CC1(C)Cc2nc(NC(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)sc2C(=O)C1 ZINC000170639244 569179666 /nfs/dbraw/zinc/17/96/66/569179666.db2.gz WYWUWZKXWQWSMG-UHFFFAOYSA-N 0 0 430.917 4.573 50 0 IJAARN C[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000000702500 569180348 /nfs/dbraw/zinc/18/03/48/569180348.db2.gz OGJXUSXXTLNUJC-AWEZNQCLSA-N 0 0 442.512 4.695 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000001088872 569180434 /nfs/dbraw/zinc/18/04/34/569180434.db2.gz WNOTUCMXJVXHIX-UHFFFAOYSA-N 0 0 429.545 4.987 50 0 IJAARN Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4[C@@H]3c3cccc(C)c3)C2=O)cc1 ZINC000002108366 569181730 /nfs/dbraw/zinc/18/17/30/569181730.db2.gz YBYVPVNHTMOOIJ-LSYYVWMOSA-N 0 0 449.554 4.670 50 0 biogenic IJAARN Cc1ccc(CN2CC(=O)N3[C@H](c4cccc(C)c4)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002108365 569181732 /nfs/dbraw/zinc/18/17/32/569181732.db2.gz YBYVPVNHTMOOIJ-LBNVMWSVSA-N 0 0 449.554 4.670 50 0 biogenic IJAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C ZINC000002118279 569182567 /nfs/dbraw/zinc/18/25/67/569182567.db2.gz RRHIZLCOQXUPFO-DHLKQENFSA-N 0 0 442.515 4.752 50 0 biogenic IJAARN COc1ccc2c(c1)c(C(=O)COc1cc3oc(=O)cc(C)c3cc1Cl)c(C)n2C ZINC000002119515 569182822 /nfs/dbraw/zinc/18/28/22/569182822.db2.gz GTAUDGUEIMRTKE-UHFFFAOYSA-N 0 0 425.868 4.825 50 0 biogenic IJAARN COc1cccc(-c2nc(N3CCCC3)nc3nn(-c4ccc(C(C)C)cc4)c(N)c32)c1 ZINC000037375874 569185509 /nfs/dbraw/zinc/18/55/09/569185509.db2.gz VYCADTKNWYFXON-UHFFFAOYSA-N 0 0 428.540 4.797 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1OC ZINC000027226657 569186676 /nfs/dbraw/zinc/18/66/76/569186676.db2.gz CENUIVJWGLPHRQ-UHFFFAOYSA-N 0 0 427.570 4.508 50 0 IJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 ZINC000002148251 569186950 /nfs/dbraw/zinc/18/69/50/569186950.db2.gz HRQFCYDGXHIIGX-KRWDZBQOSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN Cc1cc(OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002148105 569187059 /nfs/dbraw/zinc/18/70/59/569187059.db2.gz PGNOOHBXSADRRU-QFIPXVFZSA-N 0 0 437.492 4.575 50 0 biogenic IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002151983 569187283 /nfs/dbraw/zinc/18/72/83/569187283.db2.gz JVSGGFUSVMNQTN-HXUWFJFHSA-N 0 0 437.492 4.719 50 0 biogenic IJAARN CCCCCCc1cc2c3c(c(=O)oc2cc1OC(=O)CNC(=O)OC(C)(C)C)CCC3 ZINC000002153072 569187416 /nfs/dbraw/zinc/18/74/16/569187416.db2.gz RBMZBLNJUMAZNK-UHFFFAOYSA-N 0 0 443.540 4.835 50 0 biogenic IJAARN CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1OCC ZINC000002192738 569190779 /nfs/dbraw/zinc/19/07/79/569190779.db2.gz ROPFKOKQGBJXJR-UHFFFAOYSA-N 0 0 431.554 4.782 50 0 IJAARN FC(F)(F)Oc1ccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002192800 569190811 /nfs/dbraw/zinc/19/08/11/569190811.db2.gz LMHMXTVBVOIDDO-UHFFFAOYSA-N 0 0 430.761 4.966 50 0 IJAARN O=C(COCc1ccccc1)NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc21 ZINC000037381971 569191930 /nfs/dbraw/zinc/19/19/30/569191930.db2.gz IZLZCIBNJKKDOO-UHFFFAOYSA-N 0 0 446.938 4.695 50 0 IJAARN COCCN(CCC(=O)NCc1ccccc1)c1nc(-c2cccs2)nc2ccccc21 ZINC000037383613 569192031 /nfs/dbraw/zinc/19/20/31/569192031.db2.gz FPRXPVZIDNDGGN-UHFFFAOYSA-N 0 0 446.576 4.518 50 0 IJAARN Cc1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)n(Cc2ccc(F)c(F)c2)c1C ZINC000037397029 569193040 /nfs/dbraw/zinc/19/30/40/569193040.db2.gz ZXVLNAZLCUFMEP-UHFFFAOYSA-N 0 0 441.497 4.841 50 0 IJAARN COCCNC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000037397714 569193639 /nfs/dbraw/zinc/19/36/39/569193639.db2.gz IUQSUGOYDNDTCR-UHFFFAOYSA-N 0 0 448.548 4.504 50 0 IJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)Nc1ccccc1OC ZINC000037401077 569195133 /nfs/dbraw/zinc/19/51/33/569195133.db2.gz YXLBXJVHRHWHJH-KRWDZBQOSA-N 0 0 434.558 4.645 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000027371581 569195459 /nfs/dbraw/zinc/19/54/59/569195459.db2.gz GYFUBEUHTZMYKF-GOSISDBHSA-N 0 0 438.553 4.775 50 0 IJAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@H](C)C(=O)N1CCOCC1 ZINC000037439039 569196376 /nfs/dbraw/zinc/19/63/76/569196376.db2.gz OUJDAWWGOXNYDJ-GOSISDBHSA-N 0 0 437.565 4.513 50 0 IJAARN COc1ccc(-c2csc(N(c3ccc(OC)cc3)[C@H](C)C(=O)N3CCCC3)n2)cc1 ZINC000037439256 569196409 /nfs/dbraw/zinc/19/64/09/569196409.db2.gz BFQQHORNWIHWRP-QGZVFWFLSA-N 0 0 437.565 4.976 50 0 IJAARN COCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440484 569196601 /nfs/dbraw/zinc/19/66/01/569196601.db2.gz HGRZAMCITQJWSQ-GOSISDBHSA-N 0 0 440.849 4.527 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000037441010 569196737 /nfs/dbraw/zinc/19/67/37/569196737.db2.gz PHIHOZBBWCILJP-QHCPKHFHSA-N 0 0 436.458 4.809 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2Cc2ccccc2)[C@@H]1C ZINC000037443452 569197166 /nfs/dbraw/zinc/19/71/66/569197166.db2.gz WDYKKHJZMBBXJG-BCFTUSIQSA-N 0 0 433.552 4.590 50 0 IJAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCC3CCCCC3)CC2)cc1 ZINC000037525156 569198981 /nfs/dbraw/zinc/19/89/81/569198981.db2.gz FFFPIFGGYLATNC-UHFFFAOYSA-N 0 0 447.623 4.958 50 0 IJAARN O=C(NCCc1ccccn1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037526144 569199095 /nfs/dbraw/zinc/19/90/95/569199095.db2.gz SNGHSOMLOCNRAY-UHFFFAOYSA-N 0 0 440.366 4.881 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)cc2F)C1 ZINC000037527011 569199219 /nfs/dbraw/zinc/19/92/19/569199219.db2.gz LBOAWSNHARPTFD-MRXNPFEDSA-N 0 0 446.519 4.753 50 0 IJAARN COc1cc(Cn2c(C(=O)NC(C)C)cc3scc(Br)c32)cc(OC)c1 ZINC000037543043 569199480 /nfs/dbraw/zinc/19/94/80/569199480.db2.gz VBABHKRLAKPFPG-UHFFFAOYSA-N 0 0 437.359 4.669 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)N1CCSCC1 ZINC000037546950 569199787 /nfs/dbraw/zinc/19/97/87/569199787.db2.gz QXEUDVCJESBHDU-UHFFFAOYSA-N 0 0 439.556 4.929 50 0 IJAARN Cc1ccc([C@H]2c3cc(OCC(=O)NCC(C)C)ccc3CCN2C(=O)CC(C)C)cc1 ZINC000037602376 569202360 /nfs/dbraw/zinc/20/23/60/569202360.db2.gz BPVUJJFVHSAGAT-MHZLTWQESA-N 0 0 436.596 4.666 50 0 IJAARN CSc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2)n1)CC(C)(C)OC3 ZINC000002214708 569202905 /nfs/dbraw/zinc/20/29/05/569202905.db2.gz RCIOPHVAKUBYQC-UHFFFAOYSA-N 0 0 431.608 4.995 50 0 IJAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 ZINC000002215523 569203260 /nfs/dbraw/zinc/20/32/60/569203260.db2.gz RNVVSCVRAJMGNG-LLVKDONJSA-N 0 0 428.323 4.991 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623579 569203323 /nfs/dbraw/zinc/20/33/23/569203323.db2.gz SCZGKSHNSOVJLA-PZJWPPBQSA-N 0 0 446.551 4.508 50 0 IJAARN Cc1cc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)c(Cl)cc1Cl ZINC000245170852 569205041 /nfs/dbraw/zinc/20/50/41/569205041.db2.gz XJFZYAAGXSLKIA-KRWDZBQOSA-N 0 0 448.418 4.639 50 0 IJAARN CCCc1nc2oc3c(ncnc3N(CCO)Cc3ccccc3)c2c2c1COC(C)(C)C2 ZINC000002237877 569212260 /nfs/dbraw/zinc/21/22/60/569212260.db2.gz ITNDPPJMGOBOPL-UHFFFAOYSA-N 0 0 446.551 4.574 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(F)cc4)C32)cc1 ZINC000002250815 569213847 /nfs/dbraw/zinc/21/38/47/569213847.db2.gz OPIFFYDAEPHBBN-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n21)CC(C)(C)OC3 ZINC000002247137 569214508 /nfs/dbraw/zinc/21/45/08/569214508.db2.gz SAJXLCNZAYCFJK-UHFFFAOYSA-N 0 0 442.541 4.613 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)cc1 ZINC000002253021 569215016 /nfs/dbraw/zinc/21/50/16/569215016.db2.gz TZJHBELVALUPGI-UHFFFAOYSA-N 0 0 447.560 4.928 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000002263524 569215909 /nfs/dbraw/zinc/21/59/09/569215909.db2.gz DEQQNPSKYSBUOV-UHFFFAOYSA-N 0 0 432.480 4.622 50 0 IJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc1c2C ZINC000015955313 569256945 /nfs/dbraw/zinc/25/69/45/569256945.db2.gz BZHNLONGKSMSHE-DWXRJYCRSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN COc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4)C32)c(OC)c1 ZINC000002285947 569263857 /nfs/dbraw/zinc/26/38/57/569263857.db2.gz ZJXADUIYZQHNDH-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000002286717 569263976 /nfs/dbraw/zinc/26/39/76/569263976.db2.gz WAEGELZYCVCWAU-UHFFFAOYSA-N 0 0 441.050 4.709 50 0 IJAARN FC(F)(F)c1ccc2sc(N3CCOC[C@@H]3c3ncnn3Cc3ccccc3)nc2c1 ZINC000253419284 569266684 /nfs/dbraw/zinc/26/66/84/569266684.db2.gz GJYCYMMCYABYRG-QGZVFWFLSA-N 0 0 445.470 4.533 50 0 IJAARN COc1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=NN1S(=O)(=O)c1ccccc1 ZINC000253428848 569267669 /nfs/dbraw/zinc/26/76/69/569267669.db2.gz RKGFAOWUASNMIQ-NRFANRHFSA-N 0 0 426.925 4.889 50 0 IJAARN Cc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002290569 569267901 /nfs/dbraw/zinc/26/79/01/569267901.db2.gz SEALEVANOBXLOZ-UHFFFAOYSA-N 0 0 435.531 4.745 50 0 IJAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002290889 569267916 /nfs/dbraw/zinc/26/79/16/569267916.db2.gz KGWIJPUGRKLHQW-UHFFFAOYSA-N 0 0 425.536 4.835 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002290488 569267931 /nfs/dbraw/zinc/26/79/31/569267931.db2.gz XTMLRLAXSKKXEV-UHFFFAOYSA-N 0 0 437.503 4.784 50 0 IJAARN CC(C)CNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002291897 569268008 /nfs/dbraw/zinc/26/80/08/569268008.db2.gz PZMYASOZOAUASJ-UHFFFAOYSA-N 0 0 428.323 4.849 50 0 IJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291921 569268023 /nfs/dbraw/zinc/26/80/23/569268023.db2.gz RWPOKRXRMGXKMB-UHFFFAOYSA-N 0 0 432.549 4.890 50 0 IJAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002337911 569274917 /nfs/dbraw/zinc/27/49/17/569274917.db2.gz JCDWMMSYZVCHLT-UHFFFAOYSA-N 0 0 429.430 4.746 50 0 IJAARN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000002349190 569281994 /nfs/dbraw/zinc/28/19/94/569281994.db2.gz BDLOFNBNMNAGLG-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 ZINC000253472223 569282705 /nfs/dbraw/zinc/28/27/05/569282705.db2.gz KKMHRUXJWQQSRN-OAQYLSRUSA-N 0 0 428.897 4.624 50 0 IJAARN C[C@H](CCC(=O)NC1CC1)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253535777 569284195 /nfs/dbraw/zinc/28/41/95/569284195.db2.gz DYVCWIDNNCVUOG-BJXGVWLVSA-N 0 0 431.661 4.672 50 0 IJAARN O=C(COc1cc(Br)cn2c(C(=O)c3ccccc3)cnc12)c1ccccc1 ZINC000514250911 569286180 /nfs/dbraw/zinc/28/61/80/569286180.db2.gz PEHVFQIKPBGTAE-UHFFFAOYSA-N 0 0 435.277 4.590 50 0 IJAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002388963 569295961 /nfs/dbraw/zinc/29/59/61/569295961.db2.gz RGBZDYVHSZCRKR-GFCCVEGCSA-N 0 0 427.430 4.703 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000002400099 569299186 /nfs/dbraw/zinc/29/91/86/569299186.db2.gz PJNJORAXVUOWAG-HSZRJFAPSA-N 0 0 429.447 4.729 50 0 IJAARN CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NC[C@H](C)O)n1 ZINC000002402745 569299800 /nfs/dbraw/zinc/29/98/00/569299800.db2.gz UINUNSHWJNARAH-NSHDSACASA-N 0 0 432.615 4.729 50 0 IJAARN CCCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002403747 569299886 /nfs/dbraw/zinc/29/98/86/569299886.db2.gz FUVWHEZIGGRLBB-UHFFFAOYSA-N 0 0 428.945 4.843 50 0 IJAARN COc1cc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc(OC)c1OC ZINC000002404295 569300010 /nfs/dbraw/zinc/30/00/10/569300010.db2.gz AVURWOAJRJVNSV-UHFFFAOYSA-N 0 0 448.523 4.827 50 0 IJAARN CCc1ccc(-n2c(N)c(S(=O)(=O)c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002406580 569300219 /nfs/dbraw/zinc/30/02/19/569300219.db2.gz ZFLMBDIBDXZZSP-UHFFFAOYSA-N 0 0 442.544 4.860 50 0 IJAARN Cc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000002413605 569301125 /nfs/dbraw/zinc/30/11/25/569301125.db2.gz XILZQVQFKSMUHO-QFIPXVFZSA-N 0 0 446.528 4.791 50 0 IJAARN CCCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002414248 569301318 /nfs/dbraw/zinc/30/13/18/569301318.db2.gz FJPOCIPPVXDXBS-OAHLLOKOSA-N 0 0 446.507 4.678 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002420141 569301898 /nfs/dbraw/zinc/30/18/98/569301898.db2.gz WIYNGHRSTDARFC-UHFFFAOYSA-N 0 0 442.544 4.914 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)s1 ZINC000002422860 569302248 /nfs/dbraw/zinc/30/22/48/569302248.db2.gz ATRXMAAYEBFAOM-IBGZPJMESA-N 0 0 435.480 4.732 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002425444 569302526 /nfs/dbraw/zinc/30/25/26/569302526.db2.gz OENCJCDADFKYKD-HXUWFJFHSA-N 0 0 432.501 4.933 50 0 IJAARN CCCCCCn1c(N)c(C(=O)NCCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002427664 569302556 /nfs/dbraw/zinc/30/25/56/569302556.db2.gz TVFQMIKYDCGXDU-UHFFFAOYSA-N 0 0 445.567 4.728 50 0 IJAARN O=S(=O)(c1cccs1)N1CN(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002429636 569302894 /nfs/dbraw/zinc/30/28/94/569302894.db2.gz HDMSUVHLTYNAAS-UHFFFAOYSA-N 0 0 442.953 4.518 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002434159 569303556 /nfs/dbraw/zinc/30/35/56/569303556.db2.gz HJFSCZPWWMHGED-YWZLYKJASA-N 0 0 441.936 4.893 50 0 IJAARN C[C@@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002439616 569304070 /nfs/dbraw/zinc/30/40/70/569304070.db2.gz MPSWTRHJCGBBMX-AWEZNQCLSA-N 0 0 434.546 4.670 50 0 IJAARN CCCn1c(C)cc(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)c1C ZINC000013039033 569307878 /nfs/dbraw/zinc/30/78/78/569307878.db2.gz KZJAKEWLMHSQOL-UHFFFAOYSA-N 0 0 446.594 4.663 50 0 IJAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1ccc(F)c(Cl)c1 ZINC000013062312 569308645 /nfs/dbraw/zinc/30/86/45/569308645.db2.gz LPEKCEDBIQQTGZ-AGUYFDCRSA-N 0 0 443.993 4.963 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COc1ccc(C(C)=O)cc1 ZINC000013062654 569308657 /nfs/dbraw/zinc/30/86/57/569308657.db2.gz DVHRSFIMGJDILR-UHFFFAOYSA-N 0 0 427.478 4.713 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)Oc2cccc(Cl)c2)c1 ZINC000013070936 569309021 /nfs/dbraw/zinc/30/90/21/569309021.db2.gz KJHIISSAXZAARF-UHFFFAOYSA-N 0 0 445.924 4.701 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)n2)cc1 ZINC000013075465 569309245 /nfs/dbraw/zinc/30/92/45/569309245.db2.gz JUVXPUQPBCECIX-UHFFFAOYSA-N 0 0 449.985 4.529 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@@H]4CCC[C@@H](C)[C@@H]4C)c23)C1 ZINC000013097104 569309709 /nfs/dbraw/zinc/30/97/09/569309709.db2.gz YHJSWKLUVTWZPI-VXIBKDFQSA-N 0 0 428.646 4.885 50 0 IJAARN CCOc1ccc(C(C)=O)cc1COC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000013109304 569310284 /nfs/dbraw/zinc/31/02/84/569310284.db2.gz GEBFQQCGKTUBTB-UHFFFAOYSA-N 0 0 449.598 4.720 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)N1CCCC1 ZINC000013112985 569310469 /nfs/dbraw/zinc/31/04/69/569310469.db2.gz XCUGMZZZYDRZDP-KRWDZBQOSA-N 0 0 438.597 4.987 50 0 IJAARN CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1OC ZINC000013112763 569310526 /nfs/dbraw/zinc/31/05/26/569310526.db2.gz BBDHKABQBXHUTI-NRFANRHFSA-N 0 0 436.581 4.820 50 0 IJAARN COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cc(C)ccc1C)CC[C@@H](C)C3 ZINC000013115869 569310926 /nfs/dbraw/zinc/31/09/26/569310926.db2.gz XSXPCAHBBMDPIO-UKRRQHHQSA-N 0 0 442.606 4.842 50 0 IJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)c1 ZINC000013117567 569311016 /nfs/dbraw/zinc/31/10/16/569311016.db2.gz XQMDQLIVVCKBCS-UHFFFAOYSA-N 0 0 437.565 4.648 50 0 IJAARN O=C(c1cccc(F)c1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456569 569312928 /nfs/dbraw/zinc/31/29/28/569312928.db2.gz QVPXKRROIDDHKD-NRFANRHFSA-N 0 0 439.284 4.772 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013355304 569313535 /nfs/dbraw/zinc/31/35/35/569313535.db2.gz LSICFRZYUIKZKX-UHFFFAOYSA-N 0 0 448.588 4.501 50 0 IJAARN Cc1ccc(C(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1C ZINC000013360081 569313914 /nfs/dbraw/zinc/31/39/14/569313914.db2.gz NQFOKXUSPFJODJ-UHFFFAOYSA-N 0 0 447.604 4.638 50 0 IJAARN CCn1cnnc1C1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000078806038 569319194 /nfs/dbraw/zinc/31/91/94/569319194.db2.gz XKAIQYMYQOIONC-UHFFFAOYSA-N 0 0 445.596 4.628 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cc1NC(=O)c1ccccc1 ZINC000078996381 569321731 /nfs/dbraw/zinc/32/17/31/569321731.db2.gz PWOJPKNUXFILFE-UHFFFAOYSA-N 0 0 428.467 4.957 50 0 IJAARN CCC(=O)N1CCC[C@H](C(=O)N(Cc2cccc(OC)c2)C23CC4CC(CC(C4)C2)C3)C1 ZINC000079020094 569322397 /nfs/dbraw/zinc/32/23/97/569322397.db2.gz CIOIGWJNIAFCQV-QKNOUNDKSA-N 0 0 438.612 4.641 50 0 IJAARN CCC(=O)N1CCC[C@@H](C(=O)N(Cc2cccc(OC)c2)C23CC4CC(CC(C4)C2)C3)C1 ZINC000079020098 569322424 /nfs/dbraw/zinc/32/24/24/569322424.db2.gz CIOIGWJNIAFCQV-SQGNYKRJSA-N 0 0 438.612 4.641 50 0 IJAARN CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)C1CCN(C(=O)COc2ccccc2)CC1 ZINC000079022464 569322508 /nfs/dbraw/zinc/32/25/08/569322508.db2.gz GLAODEFGTQNVBC-VWLOTQADSA-N 0 0 448.607 4.912 50 0 IJAARN C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1cccnc1)CC(=O)O3 ZINC000079193365 569328234 /nfs/dbraw/zinc/32/82/34/569328234.db2.gz NQPLFOMDCWKAHF-CMMDKQLCSA-N 0 0 449.503 4.710 50 0 IJAARN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019793251 569329445 /nfs/dbraw/zinc/32/94/45/569329445.db2.gz VMCFLPDWMBNHPX-UHFFFAOYSA-N 0 0 439.559 4.947 50 0 IJAARN O=C(COc1ccccc1Cl)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000019855294 569330445 /nfs/dbraw/zinc/33/04/45/569330445.db2.gz HOYZOZPXQSYMOR-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000079464609 569330510 /nfs/dbraw/zinc/33/05/10/569330510.db2.gz AEMJPCDJMHNGFK-UONOGXRCSA-N 0 0 442.368 4.847 50 0 IJAARN CCCCCCOC(=O)[C@@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000020073883 569333808 /nfs/dbraw/zinc/33/38/08/569333808.db2.gz XDWUVXQTOLJVMS-HSZRJFAPSA-N 0 0 438.568 4.509 50 0 biogenic IJAARN CSCC[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020116079 569335171 /nfs/dbraw/zinc/33/51/71/569335171.db2.gz QLRDXSSSCXJHFW-QGZVFWFLSA-N 0 0 427.408 4.514 50 0 IJAARN O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000020138974 569336132 /nfs/dbraw/zinc/33/61/32/569336132.db2.gz HENBJJNHAVXGNP-UHFFFAOYSA-N 0 0 436.842 4.934 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCc1cccnc1 ZINC000020181435 569355401 /nfs/dbraw/zinc/35/54/01/569355401.db2.gz LYWDVYFXLWSKHK-CIAFOILYSA-N 0 0 435.936 4.531 50 0 IJAARN Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCO4)cc1C ZINC000020285312 569359085 /nfs/dbraw/zinc/35/90/85/569359085.db2.gz KYQQRPUKXGUMMI-UHFFFAOYSA-N 0 0 429.447 4.765 50 0 IJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(Cc1ccc(Cl)cc1)C2 ZINC000020320013 569360207 /nfs/dbraw/zinc/36/02/07/569360207.db2.gz IIDSRIGSZCKNRH-UHFFFAOYSA-N 0 0 431.323 4.876 50 0 IJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC[C@@H](C)C3)c2c1 ZINC000020381740 569362604 /nfs/dbraw/zinc/36/26/04/569362604.db2.gz DIWNAXYYNVVJGI-QGZVFWFLSA-N 0 0 440.565 4.711 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000020384826 569362901 /nfs/dbraw/zinc/36/29/01/569362901.db2.gz YMYMSPRKVRJTSJ-DNVCBOLYSA-N 0 0 438.597 4.809 50 0 IJAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000020413582 569364160 /nfs/dbraw/zinc/36/41/60/569364160.db2.gz QGEUSMMJKIUMOG-UHFFFAOYSA-N 0 0 427.342 4.904 50 0 IJAARN O=C(Nc1cccc(Br)c1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000020436933 569365390 /nfs/dbraw/zinc/36/53/90/569365390.db2.gz CLOSGYMWVZPFJJ-UHFFFAOYSA-N 0 0 444.285 4.577 50 0 IJAARN Cc1ccc(C(=O)Oc2cccc([C@@H]3CN(C(=O)c4ccc(C)s4)CCO3)c2)s1 ZINC000095460625 569369653 /nfs/dbraw/zinc/36/96/53/569369653.db2.gz JSWVCKLHMUTCCC-SFHVURJKSA-N 0 0 427.547 4.859 50 0 IJAARN CCCCCn1cc(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c2ccccc21 ZINC000095464522 569370552 /nfs/dbraw/zinc/37/05/52/569370552.db2.gz OIZXXIJQHXADAX-GOSISDBHSA-N 0 0 435.532 4.517 50 0 IJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CCCc2ccc(Br)cc21 ZINC000095466575 569370936 /nfs/dbraw/zinc/37/09/36/569370936.db2.gz MMEUIKXKMUHDBI-LJQANCHMSA-N 0 0 441.325 4.629 50 0 IJAARN CC(C)Oc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000095471174 569371891 /nfs/dbraw/zinc/37/18/91/569371891.db2.gz SCRSVUTXKQPRHP-UHFFFAOYSA-N 0 0 439.943 4.760 50 0 IJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000095478039 569373298 /nfs/dbraw/zinc/37/32/98/569373298.db2.gz BIRKSJKFKIWXDT-KUHUBIRLSA-N 0 0 447.557 4.631 50 0 IJAARN O=C1CCC[C@@H]1[C@H](c1ccccc1)N(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000095481839 569374210 /nfs/dbraw/zinc/37/42/10/569374210.db2.gz LXFHVPSHSMKJLP-RDPSFJRHSA-N 0 0 430.529 4.753 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000095945130 569375776 /nfs/dbraw/zinc/37/57/76/569375776.db2.gz WNJFCJFQFWXJSJ-JOCHJYFZSA-N 0 0 446.503 4.713 50 0 IJAARN COc1ccc(CN(Cc2sc3ccccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000096102407 569381908 /nfs/dbraw/zinc/38/19/08/569381908.db2.gz GYHUAQWDQYCSKM-MRXNPFEDSA-N 0 0 435.998 4.753 50 0 IJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cc(Br)cs1 ZINC000096103656 569382168 /nfs/dbraw/zinc/38/21/68/569382168.db2.gz PVDBBZGLPNQSLQ-AWEZNQCLSA-N 0 0 435.343 4.540 50 0 IJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)c2ccccc12 ZINC000096116602 569383766 /nfs/dbraw/zinc/38/37/66/569383766.db2.gz LQXUMRIVHHSJJX-FQEVSTJZSA-N 0 0 441.578 4.593 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccnc2N2CCCCC2)S1 ZINC000096116937 569383995 /nfs/dbraw/zinc/38/39/95/569383995.db2.gz RMSMDNHMMCJBEC-QFBILLFUSA-N 0 0 441.601 4.578 50 0 IJAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119745 569384836 /nfs/dbraw/zinc/38/48/36/569384836.db2.gz FIFPRDWJMFKBBD-SZNDQCEHSA-N 0 0 433.489 4.556 50 0 IJAARN CSc1ccc(/C=C/C(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000096120404 569384927 /nfs/dbraw/zinc/38/49/27/569384927.db2.gz OIHWAWBHEQSNGA-DHZHZOJOSA-N 0 0 434.561 4.837 50 0 IJAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)NCc1ccncc1 ZINC000096277972 569389010 /nfs/dbraw/zinc/38/90/10/569389010.db2.gz JFGRSFMRDXNQGR-IBGZPJMESA-N 0 0 447.922 4.826 50 0 IJAARN Cc1nnc(SCc2ccccc2C(=O)NCc2ccc(F)cc2)n1Cc1ccccc1 ZINC000096290386 569390912 /nfs/dbraw/zinc/39/09/12/569390912.db2.gz SGSQLUPYXYXZFQ-UHFFFAOYSA-N 0 0 446.551 4.996 50 0 IJAARN COCCNC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C)c2)c1 ZINC000096292112 569391234 /nfs/dbraw/zinc/39/12/34/569391234.db2.gz YQKMYIHODRHMQT-UHFFFAOYSA-N 0 0 448.548 4.504 50 0 IJAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2N1c1ccc(F)cc1 ZINC000096293392 569391512 /nfs/dbraw/zinc/39/15/12/569391512.db2.gz FVEWGCAPCPHFRH-UHFFFAOYSA-N 0 0 441.459 4.866 50 0 IJAARN COc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1 ZINC000096293490 569391523 /nfs/dbraw/zinc/39/15/23/569391523.db2.gz GZDACYJOHZWPAT-UHFFFAOYSA-N 0 0 437.883 4.877 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)Oc1cccnc1Br ZINC000096298036 569392051 /nfs/dbraw/zinc/39/20/51/569392051.db2.gz XOOAONJRZPGSBH-KTKRTIGZSA-N 0 0 432.705 4.670 50 0 IJAARN C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccco4)n3-c3ccccc3)cc21 ZINC000096316517 569392763 /nfs/dbraw/zinc/39/27/63/569392763.db2.gz LIYMWVGXVDNZCP-AWEZNQCLSA-N 0 0 430.489 4.558 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000096316786 569392819 /nfs/dbraw/zinc/39/28/19/569392819.db2.gz GUYSVJDGVIFTDA-IBGZPJMESA-N 0 0 437.632 4.746 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000096316959 569393022 /nfs/dbraw/zinc/39/30/22/569393022.db2.gz CIFFNTQLRCOLKA-IBGZPJMESA-N 0 0 434.628 4.955 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000096317280 569393199 /nfs/dbraw/zinc/39/31/99/569393199.db2.gz OQDAUBURWUSRMU-IBGZPJMESA-N 0 0 437.632 4.828 50 0 IJAARN Cc1nc(C(C)C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1c(F)cccc1Cl ZINC000096317360 569393355 /nfs/dbraw/zinc/39/33/55/569393355.db2.gz WRIASMAARYFNPB-UHFFFAOYSA-N 0 0 444.982 4.740 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000096317394 569393412 /nfs/dbraw/zinc/39/34/12/569393412.db2.gz QVIXLDNCOKJABM-UHFFFAOYSA-N 0 0 449.643 4.754 50 0 IJAARN CC[C@@H]1Cn2c(C(=O)N3CCN(c4ccccc4F)CC3)cc3c2c(ccc3Cl)O1 ZINC000096319754 569393942 /nfs/dbraw/zinc/39/39/42/569393942.db2.gz IPFMBUMUGKMOQU-OAHLLOKOSA-N 0 0 427.907 4.567 50 0 IJAARN COc1ccc(CNC(=O)C[C@@H]2COc3cc(C)ccc3N2Cc2ccc(F)cc2)cc1 ZINC000096323004 569394986 /nfs/dbraw/zinc/39/49/86/569394986.db2.gz CKTSNIAIJPSTLM-JOCHJYFZSA-N 0 0 434.511 4.617 50 0 IJAARN COc1cc(OC)cc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)c1 ZINC000096324243 569395822 /nfs/dbraw/zinc/39/58/22/569395822.db2.gz YEDGFMVEUSTKAA-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN C[C@H](NC(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1)c1ccccc1 ZINC000096386349 569398547 /nfs/dbraw/zinc/39/85/47/569398547.db2.gz CLZSMZHRXAAYNX-INIZCTEOSA-N 0 0 426.973 4.614 50 0 IJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000096386855 569398788 /nfs/dbraw/zinc/39/87/88/569398788.db2.gz ZXUNRJHJMNVBCR-DEOSSOPVSA-N 0 0 425.532 4.655 50 0 IJAARN CCOc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000096387136 569398878 /nfs/dbraw/zinc/39/88/78/569398878.db2.gz LESMFKRDEISTIK-OAQYLSRUSA-N 0 0 435.911 4.542 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SCc4cccnc4)sc3c2)cc1 ZINC000096399451 569400091 /nfs/dbraw/zinc/40/00/91/569400091.db2.gz ZJQTVMFJXDCDRA-UHFFFAOYSA-N 0 0 443.575 4.793 50 0 IJAARN O=C(NC1CCCCC1)[C@@]12CCCC[C@H]1SCCC(=O)N2Cc1ccc(Cl)cc1 ZINC000096576704 569401500 /nfs/dbraw/zinc/40/15/00/569401500.db2.gz OSMFFVIRLQLILJ-NFBKMPQASA-N 0 0 435.033 4.936 50 0 IJAARN O=C(NC1CCCCC1)[C@]12CCCC[C@H]1SCCC(=O)N2Cc1ccc(Cl)cc1 ZINC000096576702 569401573 /nfs/dbraw/zinc/40/15/73/569401573.db2.gz OSMFFVIRLQLILJ-OFNKIYASSA-N 0 0 435.033 4.936 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccc(F)cc3)no2)n1Cc1ccccc1 ZINC000225534842 569403711 /nfs/dbraw/zinc/40/37/11/569403711.db2.gz WOEBMUSLYSWWKZ-UHFFFAOYSA-N 0 0 444.491 4.926 50 0 IJAARN Cc1c2ccc3c(c2oc(=O)c1Cc1ccccc1)CN(Cc1ccc2c(c1)OCO2)CO3 ZINC000055393774 569404240 /nfs/dbraw/zinc/40/42/40/569404240.db2.gz OPEHEJPQOFQXTJ-UHFFFAOYSA-N 0 0 441.483 4.773 50 0 biogenic IJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1Br ZINC000002475216 569404443 /nfs/dbraw/zinc/40/44/43/569404443.db2.gz YCRKJESMTVKRKL-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002501338 569405988 /nfs/dbraw/zinc/40/59/88/569405988.db2.gz USRWMKYGMDXBTR-QHCPKHFHSA-N 0 0 441.574 4.807 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000002503344 569406031 /nfs/dbraw/zinc/40/60/31/569406031.db2.gz OYOSTUKRSFRNQW-HSZRJFAPSA-N 0 0 441.574 4.711 50 0 IJAARN CCOc1cc(C(=O)NCc2cncc(-c3cccs3)c2)cc(OCC)c1OCC ZINC000225666233 569406395 /nfs/dbraw/zinc/40/63/95/569406395.db2.gz OCFQRRKQTHEXBZ-UHFFFAOYSA-N 0 0 426.538 4.936 50 0 IJAARN COc1ccc(CCC(=O)NCc2cncc(-c3cccs3)c2)cc1Br ZINC000225665003 569406418 /nfs/dbraw/zinc/40/64/18/569406418.db2.gz QBWWOJHKGPJIEL-UHFFFAOYSA-N 0 0 431.355 4.830 50 0 IJAARN CCOc1ccccc1C(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000028049111 569406591 /nfs/dbraw/zinc/40/65/91/569406591.db2.gz FPQRUMGNSHNYLT-UHFFFAOYSA-N 0 0 433.533 4.679 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1cc2c(cc1SC1CCCCC1)n(C)c(=O)n2C ZINC000028049188 569406744 /nfs/dbraw/zinc/40/67/44/569406744.db2.gz HMMPZMZCDOJYSY-UHFFFAOYSA-N 0 0 439.581 4.628 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cccc(Nc4ncccn4)c3)n2)cc1OC ZINC000028104664 569407452 /nfs/dbraw/zinc/40/74/52/569407452.db2.gz QPKSPWCVNQBEIA-UHFFFAOYSA-N 0 0 433.493 4.613 50 0 IJAARN CCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(OC)cc1 ZINC000002616823 569410243 /nfs/dbraw/zinc/41/02/43/569410243.db2.gz MPCVFODYBLKECE-UHFFFAOYSA-N 0 0 440.569 4.876 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000002626011 569411710 /nfs/dbraw/zinc/41/17/10/569411710.db2.gz PNGBBZIFEPMSRD-RDTXWAMCSA-N 0 0 441.557 4.732 50 0 IJAARN C[C@@]1(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)CC1(Cl)Cl ZINC000002636916 569413188 /nfs/dbraw/zinc/41/31/88/569413188.db2.gz HNRGSRSZOJFRDT-NRFANRHFSA-N 0 0 444.318 4.605 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000002637133 569413196 /nfs/dbraw/zinc/41/31/96/569413196.db2.gz MQSLSWHPBUBASL-UHFFFAOYSA-N 0 0 432.505 4.555 50 0 IJAARN C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002640796 569413670 /nfs/dbraw/zinc/41/36/70/569413670.db2.gz NLAIJUVAQJERLV-GFCCVEGCSA-N 0 0 425.287 4.910 50 0 IJAARN COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002642589 569413760 /nfs/dbraw/zinc/41/37/60/569413760.db2.gz BKPCKFVHGUGWMO-UHFFFAOYSA-N 0 0 434.496 4.972 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)Nc1cccnc1Cl ZINC000002649390 569414586 /nfs/dbraw/zinc/41/45/86/569414586.db2.gz PYMFDRBMRZZALW-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1csc(-c2ccccc2)n1)c1cccs1 ZINC000002661635 569416139 /nfs/dbraw/zinc/41/61/39/569416139.db2.gz KHECYPRUMRQPOV-FQEVSTJZSA-N 0 0 448.569 4.956 50 0 IJAARN CCOc1ccc(-c2c(C)sc(=O)n2NC(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000002684339 569416713 /nfs/dbraw/zinc/41/67/13/569416713.db2.gz VFTAZCLISCFYBC-UHFFFAOYSA-N 0 0 440.565 4.865 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(OC)c1 ZINC000002690309 569416966 /nfs/dbraw/zinc/41/69/66/569416966.db2.gz XBTGOEBHWLJDKG-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN CCc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000002691220 569416969 /nfs/dbraw/zinc/41/69/69/569416969.db2.gz HMCJPXRRTZDUFT-UHFFFAOYSA-N 0 0 445.490 5.000 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000002717861 569417940 /nfs/dbraw/zinc/41/79/40/569417940.db2.gz KRXCWBKZSBWBHD-UHFFFAOYSA-N 0 0 439.928 4.522 50 0 IJAARN COc1cc(C(=O)Nc2nnc(SCc3ccccc3F)s2)ccc1OC(F)F ZINC000002725891 569418538 /nfs/dbraw/zinc/41/85/38/569418538.db2.gz COMDQGITDIWOHB-UHFFFAOYSA-N 0 0 441.456 4.832 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)c(C)c1 ZINC000230045071 569418801 /nfs/dbraw/zinc/41/88/01/569418801.db2.gz MJRFWFVTWDACHE-YTFSRNRJSA-N 0 0 434.442 4.633 50 0 IJAARN CCc1ccc(OCc2ccc(C(=O)Nn3c(SC)nnc3C(F)(F)F)cc2)cc1 ZINC000002794539 569422039 /nfs/dbraw/zinc/42/20/39/569422039.db2.gz UMARZLDLEQTUEP-UHFFFAOYSA-N 0 0 436.459 4.544 50 0 IJAARN Cc1noc(C)c1NC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002804384 569422521 /nfs/dbraw/zinc/42/25/21/569422521.db2.gz LGBYTHZBDBUFIH-UHFFFAOYSA-N 0 0 441.822 4.987 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000002822074 569423154 /nfs/dbraw/zinc/42/31/54/569423154.db2.gz HPKMOWMLNJTSTJ-KGENOOAVSA-N 0 0 443.455 4.658 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(=O)c1ccccc1C ZINC000002821541 569423170 /nfs/dbraw/zinc/42/31/70/569423170.db2.gz LJHOALWNHSDTPV-DEDYPNTBSA-N 0 0 431.419 4.706 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000002908893 569424591 /nfs/dbraw/zinc/42/45/91/569424591.db2.gz LTWJZXUXAGRUJV-UHFFFAOYSA-N 0 0 439.537 4.880 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911201 569424808 /nfs/dbraw/zinc/42/48/08/569424808.db2.gz QGAGRPSMLIWFSE-UHFFFAOYSA-N 0 0 425.460 4.654 50 0 IJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 ZINC000002915128 569425086 /nfs/dbraw/zinc/42/50/86/569425086.db2.gz KXNGOFYAYSRYLX-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cc(OC)cc(OC)c2)c1C ZINC000002928827 569426003 /nfs/dbraw/zinc/42/60/03/569426003.db2.gz RPMBVJVDQAJFMT-UHFFFAOYSA-N 0 0 436.508 4.686 50 0 IJAARN CCc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 ZINC000002941407 569426728 /nfs/dbraw/zinc/42/67/28/569426728.db2.gz AQUINDLDAGUZLA-UHFFFAOYSA-N 0 0 434.561 4.928 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)cc1OC ZINC000056907781 569427545 /nfs/dbraw/zinc/42/75/45/569427545.db2.gz ZBWXVUGKKCJDJR-UHFFFAOYSA-N 0 0 438.549 4.589 50 0 IJAARN O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc(C(F)(F)F)cc1 ZINC000056949975 569428483 /nfs/dbraw/zinc/42/84/83/569428483.db2.gz XQOVSLPSPKWWKG-UHFFFAOYSA-N 0 0 444.453 4.560 50 0 IJAARN CC(C)C[C@@H]1CC(=O)N([C@]2(C(=O)NC3CCCC3)CC[C@H]3Cc4ccccc4C[C@H]3C2)C1 ZINC000254756994 569431807 /nfs/dbraw/zinc/43/18/07/569431807.db2.gz QXIPICBQAYJCPL-PSAQOYSPSA-N 0 0 436.640 4.894 50 0 IJAARN Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc1F ZINC000002953969 569432216 /nfs/dbraw/zinc/43/22/16/569432216.db2.gz SLKGWVUWMKBIGU-COOPMVRXSA-N 0 0 435.430 4.700 50 0 IJAARN COc1cccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000002969045 569433134 /nfs/dbraw/zinc/43/31/34/569433134.db2.gz GJRSXWXIHZRWPX-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN CC[C@H](Sc1nc2ccccc2c2nc(-c3ccccc3)nn21)C(=O)NCc1ccco1 ZINC000002969025 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COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1C ZINC000003005780 569435168 /nfs/dbraw/zinc/43/51/68/569435168.db2.gz LBIAYXFZUMIJEJ-QFIPXVFZSA-N 0 0 447.531 4.839 50 0 IJAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C)cc1 ZINC000003005784 569435181 /nfs/dbraw/zinc/43/51/81/569435181.db2.gz RKGHVZHXXNQGGB-QFIPXVFZSA-N 0 0 447.531 4.839 50 0 IJAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)NCCc1ccccc1Cl ZINC000003010403 569435353 /nfs/dbraw/zinc/43/53/53/569435353.db2.gz QQANSQNQJLOGCD-UHFFFAOYSA-N 0 0 449.963 4.603 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)C1 ZINC000003021883 569435987 /nfs/dbraw/zinc/43/59/87/569435987.db2.gz LPWJZMBUJKHVAD-LBPRGKRZSA-N 0 0 445.343 4.805 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000003024978 569436205 /nfs/dbraw/zinc/43/62/05/569436205.db2.gz ATYYGXDNIRAINV-UHFFFAOYSA-N 0 0 442.512 4.610 50 0 IJAARN O=C(CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1)c1ccc(F)cc1 ZINC000057486257 569436436 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IJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 ZINC000057487936 569436887 /nfs/dbraw/zinc/43/68/87/569436887.db2.gz WIQAZFRAKMLUBV-ZDUSSCGKSA-N 0 0 433.986 4.594 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)C1 ZINC000057488060 569436902 /nfs/dbraw/zinc/43/69/02/569436902.db2.gz LBQROVNAZFHPFR-ZIAGYGMSSA-N 0 0 448.013 4.697 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2SCC(=O)NC2CCCCC2)c(C)c1 ZINC000057488398 569436950 /nfs/dbraw/zinc/43/69/50/569436950.db2.gz IJKOJNCIEPVWBE-UHFFFAOYSA-N 0 0 427.595 4.605 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000057488226 569436962 /nfs/dbraw/zinc/43/69/62/569436962.db2.gz BLXSYHFCSLARAF-IRXDYDNUSA-N 0 0 441.622 4.661 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1C ZINC000057488778 569436977 /nfs/dbraw/zinc/43/69/77/569436977.db2.gz CFAIOYQZDUULLI-UHFFFAOYSA-N 0 0 433.574 4.635 50 0 IJAARN O=C(CNC(=S)N(Cc1cccs1)Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000003035020 569437858 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CC(C)CC(=O)N[C@@H](Nc1cccc(I)c1)C(Cl)(Cl)Cl ZINC000003168258 569441147 /nfs/dbraw/zinc/44/11/47/569441147.db2.gz RKTYTSCVIOAHCK-GFCCVEGCSA-N 0 0 449.547 4.562 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003216634 569441836 /nfs/dbraw/zinc/44/18/36/569441836.db2.gz RMSGWQKPPLPGIA-UHFFFAOYSA-N 0 0 432.284 4.623 50 0 IJAARN CCOC(=O)c1sc(Nc2ccc(C)cc2)c(C(=O)Nc2cccc(OC)c2)c1N ZINC000003222660 569442000 /nfs/dbraw/zinc/44/20/00/569442000.db2.gz NVPANOPRKIWKHK-UHFFFAOYSA-N 0 0 425.510 4.820 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000003222620 569442011 /nfs/dbraw/zinc/44/20/11/569442011.db2.gz HHEKOQNTCPCBEA-UHFFFAOYSA-N 0 0 429.476 4.817 50 0 IJAARN COc1ccc2nc(NC(=O)COc3ccc(N(C)C(=O)c4ccccc4)cc3)sc2c1 ZINC000003232020 569442352 /nfs/dbraw/zinc/44/23/52/569442352.db2.gz KWYKSJVXHHPTKQ-UHFFFAOYSA-N 0 0 447.516 4.599 50 0 IJAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1Sc1ccccc1 ZINC000003237386 569442464 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CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c1CC ZINC000003279393 569443798 /nfs/dbraw/zinc/44/37/98/569443798.db2.gz KETBSRAMMHYXAJ-UHFFFAOYSA-N 0 0 436.508 4.562 50 0 IJAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1F ZINC000003287046 569444126 /nfs/dbraw/zinc/44/41/26/569444126.db2.gz XHZKIHIKHFHUST-UHFFFAOYSA-N 0 0 433.414 4.613 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)COC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003298067 569444853 /nfs/dbraw/zinc/44/48/53/569444853.db2.gz QHXCHPBASYWHCS-UHFFFAOYSA-N 0 0 436.074 4.883 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)cc2)cc1 ZINC000030617924 569444989 /nfs/dbraw/zinc/44/49/89/569444989.db2.gz RWMCMIDFLIAZBU-SFHVURJKSA-N 0 0 434.492 4.962 50 0 IJAARN O=C(COC(=O)c1cc(O)c2ccccc2c1O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003307468 569445298 /nfs/dbraw/zinc/44/52/98/569445298.db2.gz ZFEBRHKCFWWUFK-UHFFFAOYSA-N 0 0 439.773 4.719 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)sc2c1 ZINC000003309511 569445321 /nfs/dbraw/zinc/44/53/21/569445321.db2.gz YFCJBUXRQMTHKZ-HZPDHXFCSA-N 0 0 443.594 4.524 50 0 IJAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003315342 569445727 /nfs/dbraw/zinc/44/57/27/569445727.db2.gz NKHWUYWWFWPPEB-UHFFFAOYSA-N 0 0 431.769 4.643 50 0 IJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(Br)cc3)C2=O)cc1 ZINC000003320168 569445906 /nfs/dbraw/zinc/44/59/06/569445906.db2.gz AQLCUIBCZGWWJC-JOCHJYFZSA-N 0 0 445.357 4.593 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 ZINC000003340611 569446856 /nfs/dbraw/zinc/44/68/56/569446856.db2.gz XWZBKKPQVRMWJQ-JOCHJYFZSA-N 0 0 428.517 4.942 50 0 IJAARN COc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 ZINC000003346567 569447134 /nfs/dbraw/zinc/44/71/34/569447134.db2.gz GVDMQKYTJUCKIX-CHWSQXEVSA-N 0 0 432.546 4.787 50 0 IJAARN C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003348033 569447217 /nfs/dbraw/zinc/44/72/17/569447217.db2.gz MWSJYAQKQNDCQP-AWEZNQCLSA-N 0 0 444.940 4.575 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1cccnc1 ZINC000003362731 569448005 /nfs/dbraw/zinc/44/80/05/569448005.db2.gz DSFUVESODSVCIP-SFHVURJKSA-N 0 0 429.549 4.781 50 0 IJAARN COc1cc2c(cc1NC(=O)COC(=O)c1ccc(Br)o1)oc1ccccc12 ZINC000003368944 569448274 /nfs/dbraw/zinc/44/82/74/569448274.db2.gz VSXRZNKBTOKGFA-UHFFFAOYSA-N 0 0 444.237 4.746 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCCC1=CCCCC1 ZINC000003371553 569448500 /nfs/dbraw/zinc/44/85/00/569448500.db2.gz BECJWCCXVIIYAG-UHFFFAOYSA-N 0 0 433.577 4.544 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)c2cc(OC)ccc2OC)s1 ZINC000003376205 569448597 /nfs/dbraw/zinc/44/85/97/569448597.db2.gz GCABVCHSIALKSY-UHFFFAOYSA-N 0 0 431.539 4.673 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1C ZINC000003391072 569449242 /nfs/dbraw/zinc/44/92/42/569449242.db2.gz JXCLLKRNNFTJQX-UHFFFAOYSA-N 0 0 434.521 4.709 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N(C(C)C)C(C)C)n1-c1ccc(C)cc1 ZINC000003401726 569449755 /nfs/dbraw/zinc/44/97/55/569449755.db2.gz SZUYIIMARUAEKL-UHFFFAOYSA-N 0 0 438.597 4.989 50 0 IJAARN Cc1sc2nc(CN3CCCC3)nc(Sc3n[nH]c(-c4cccs4)n3)c2c1C ZINC000003425374 569450566 /nfs/dbraw/zinc/45/05/66/569450566.db2.gz VBDPNDNKSZNUBR-UHFFFAOYSA-N 0 0 428.612 4.902 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1 ZINC000003440198 569451170 /nfs/dbraw/zinc/45/11/70/569451170.db2.gz WMTJNXUITYZJNH-MRXNPFEDSA-N 0 0 436.459 4.623 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1c(C)onc1-c1c(F)cccc1Cl)CC2 ZINC000031036105 569452717 /nfs/dbraw/zinc/45/27/17/569452717.db2.gz UVKUJGBHSKLTLQ-UHFFFAOYSA-N 0 0 430.863 4.658 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000031038711 569452800 /nfs/dbraw/zinc/45/28/00/569452800.db2.gz WMGNAHRRUJBYIE-CYBMUJFWSA-N 0 0 439.553 4.621 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NCc1cccs1 ZINC000003506369 569452889 /nfs/dbraw/zinc/45/28/89/569452889.db2.gz BJHPJENRMHGDBC-UHFFFAOYSA-N 0 0 432.640 4.906 50 0 IJAARN COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000003582297 569454381 /nfs/dbraw/zinc/45/43/81/569454381.db2.gz WBWGIQLZFGICRQ-UHFFFAOYSA-N 0 0 439.269 4.551 50 0 IJAARN O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003608394 569454902 /nfs/dbraw/zinc/45/49/02/569454902.db2.gz ADOFZBZZAAPACW-UHFFFAOYSA-N 0 0 448.878 4.622 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000003630241 569455218 /nfs/dbraw/zinc/45/52/18/569455218.db2.gz XMAFRNBHLXTPNU-UHFFFAOYSA-N 0 0 439.899 4.771 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000003631800 569455378 /nfs/dbraw/zinc/45/53/78/569455378.db2.gz NBLYVHQPIUYNFK-UHFFFAOYSA-N 0 0 443.862 4.858 50 0 IJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000031269615 569455484 /nfs/dbraw/zinc/45/54/84/569455484.db2.gz MUUSNBKAXGCZTI-HSZRJFAPSA-N 0 0 446.576 4.766 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc(=O)sc3c2)c(C)c1 ZINC000003654028 569455738 /nfs/dbraw/zinc/45/57/38/569455738.db2.gz OMMYHMAIYKXQKE-UHFFFAOYSA-N 0 0 445.562 4.774 50 0 IJAARN C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C(c1ccccc1)c1ccccc1 ZINC000031379586 569456184 /nfs/dbraw/zinc/45/61/84/569456184.db2.gz RBZOUUNDHPDWOZ-DVECYGJZSA-N 0 0 428.532 4.755 50 0 IJAARN CCOc1ccccc1C(=O)NCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031391344 569456267 /nfs/dbraw/zinc/45/62/67/569456267.db2.gz YFBXIBNHGIFIQS-IBGZPJMESA-N 0 0 437.565 4.569 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(Cn2ccc4ccccc42)n3C)cc1OC ZINC000031817926 569457959 /nfs/dbraw/zinc/45/79/59/569457959.db2.gz UWHRMPIPJRNZAX-UHFFFAOYSA-N 0 0 440.503 4.846 50 0 IJAARN COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)cc1Cl ZINC000031904055 569458387 /nfs/dbraw/zinc/45/83/87/569458387.db2.gz NWFUEQPMCAMRHF-UHFFFAOYSA-N 0 0 431.941 4.748 50 0 IJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000004087916 569458785 /nfs/dbraw/zinc/45/87/85/569458785.db2.gz UCDKJRSIVJPAJA-UHFFFAOYSA-N 0 0 436.924 4.907 50 0 IJAARN COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC(=O)N3)cc1 ZINC000032070650 569459158 /nfs/dbraw/zinc/45/91/58/569459158.db2.gz RJGXGLAYCFUBJY-QGZVFWFLSA-N 0 0 430.386 4.749 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl)N1CCCC1 ZINC000004145635 569460400 /nfs/dbraw/zinc/46/04/00/569460400.db2.gz YIHUPNLLQUTUDZ-UHFFFAOYSA-N 0 0 433.364 4.956 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004187086 569460788 /nfs/dbraw/zinc/46/07/88/569460788.db2.gz MRNCEXUGUJHSLR-UHFFFAOYSA-N 0 0 448.514 4.837 50 0 IJAARN O=C(CSC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)Nc1ccccc1 ZINC000004207847 569460913 /nfs/dbraw/zinc/46/09/13/569460913.db2.gz XOZJCNHGAJGYEO-UHFFFAOYSA-N 0 0 436.377 4.609 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)N3CC[C@@H](C)C[C@H]3C)n2-c2ccccc2)c1 ZINC000059462399 569461515 /nfs/dbraw/zinc/46/15/15/569461515.db2.gz YQBILZKCSWLVFX-QZTJIDSGSA-N 0 0 436.581 4.682 50 0 IJAARN O=C(NCCSCc1ccsc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000032448872 569461756 /nfs/dbraw/zinc/46/17/56/569461756.db2.gz FTNNHRAHXZMPDZ-UHFFFAOYSA-N 0 0 444.043 4.538 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008161765 569462436 /nfs/dbraw/zinc/46/24/36/569462436.db2.gz HDSOTLYQLNCOAO-JOCHJYFZSA-N 0 0 427.614 4.748 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1ccc(F)cc1Cl ZINC000038486521 569462774 /nfs/dbraw/zinc/46/27/74/569462774.db2.gz UOWSLVOUTDDTJV-UHFFFAOYSA-N 0 0 431.851 4.695 50 0 IJAARN COc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(C)c3)no2)c1 ZINC000038487236 569462917 /nfs/dbraw/zinc/46/29/17/569462917.db2.gz RBSZRKHRMOZJAY-UHFFFAOYSA-N 0 0 441.534 4.607 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CCC(Cn4cnc5cc(C)c(C)cc54)CC3)no2)cc1 ZINC000038488448 569463063 /nfs/dbraw/zinc/46/30/63/569463063.db2.gz KWZUNONUYIKGCU-UHFFFAOYSA-N 0 0 444.535 4.869 50 0 IJAARN CCc1cc([C@H](c2cccc(OC)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546443 569463539 /nfs/dbraw/zinc/46/35/39/569463539.db2.gz AUJAKHJFXVPNCF-QFIPXVFZSA-N 0 0 439.581 4.501 50 0 IJAARN Cc1ccc(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C(C)C)c(C)c1 ZINC000067192639 569464381 /nfs/dbraw/zinc/46/43/81/569464381.db2.gz OXOUMZAKNREKCE-UHFFFAOYSA-N 0 0 435.553 4.584 50 0 IJAARN COc1cc(-c2nnc(-c3ccccc3OC(=O)c3ccccc3)o2)cc(OC)c1OC ZINC000067239999 569465671 /nfs/dbraw/zinc/46/56/71/569465671.db2.gz BADBXRSJQNTFIA-UHFFFAOYSA-N 0 0 432.432 4.649 50 0 IJAARN COc1cccc2cc(-c3csc(Cc4nc(-c5cccc(F)c5)no4)n3)c(=O)oc21 ZINC000067246100 569465936 /nfs/dbraw/zinc/46/59/36/569465936.db2.gz FSILPWHQIITJEG-UHFFFAOYSA-N 0 0 435.436 4.705 50 0 IJAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000067246463 569466000 /nfs/dbraw/zinc/46/60/00/569466000.db2.gz WKPRMEMDSALCCX-UHFFFAOYSA-N 0 0 430.430 4.570 50 0 IJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)cc(OC)c2)c1 ZINC000067258623 569466130 /nfs/dbraw/zinc/46/61/30/569466130.db2.gz BRXJOXVAIHMFLM-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCCC2=O)cc1 ZINC000067258554 569466138 /nfs/dbraw/zinc/46/61/38/569466138.db2.gz YEHTVBIGZXTKLP-UHFFFAOYSA-N 0 0 449.620 4.999 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000067257757 569466164 /nfs/dbraw/zinc/46/61/64/569466164.db2.gz CVKTVQSDGZNYNN-UHFFFAOYSA-N 0 0 429.929 4.853 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3ccc(Cl)cc3)ncc2S1(=O)=O ZINC000067260220 569466311 /nfs/dbraw/zinc/46/63/11/569466311.db2.gz BECLUYYNTWTPHO-UHFFFAOYSA-N 0 0 438.361 4.881 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N[C@@H](C)c4ccc(F)cc4)ccn3n2)cc1 ZINC000067261018 569466483 /nfs/dbraw/zinc/46/64/83/569466483.db2.gz CYLWWJOXXHPIAI-SFHVURJKSA-N 0 0 446.526 4.693 50 0 IJAARN COc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)c(OC)c1 ZINC000067261390 569466531 /nfs/dbraw/zinc/46/65/31/569466531.db2.gz UAKYQGZWWJULLU-UHFFFAOYSA-N 0 0 429.455 4.713 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OCC)cc4)cc23)cc1 ZINC000067290244 569467580 /nfs/dbraw/zinc/46/75/80/569467580.db2.gz IHXMAZSNVUVXAO-UHFFFAOYSA-N 0 0 448.548 4.925 50 0 IJAARN COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 ZINC000067293165 569467806 /nfs/dbraw/zinc/46/78/06/569467806.db2.gz YDHIYYWDRNYDOV-RWEWTDSWSA-N 0 0 438.867 4.859 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298230 569468080 /nfs/dbraw/zinc/46/80/80/569468080.db2.gz WBMCNHBUNWQUAZ-NMWGTECJSA-N 0 0 427.869 4.742 50 0 IJAARN CCOC(=O)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297889 569468082 /nfs/dbraw/zinc/46/80/82/569468082.db2.gz ZVADLPMSXQJKQJ-PNHLSOANSA-N 0 0 443.459 4.503 50 0 IJAARN COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000067297630 569468087 /nfs/dbraw/zinc/46/80/87/569468087.db2.gz JLIBROJNUFWGAZ-PNHLSOANSA-N 0 0 428.444 4.713 50 0 IJAARN CCOc1ccc(-c2nc(CN(CC)CC(=O)Nc3ccc(OC)cc3)cs2)cc1 ZINC000008708407 569470662 /nfs/dbraw/zinc/47/06/62/569470662.db2.gz CZQVZMWQFVYPFE-UHFFFAOYSA-N 0 0 425.554 4.678 50 0 IJAARN O=C1Nc2ccc(Br)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000008717657 569471118 /nfs/dbraw/zinc/47/11/18/569471118.db2.gz HGFLNNYLVXKBDN-NZQKXSOJSA-N 0 0 446.304 4.798 50 0 IJAARN C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nnc(-c2cccs2)o1 ZINC000008725665 569472128 /nfs/dbraw/zinc/47/21/28/569472128.db2.gz BBAHXBPCDOQVEG-ZDUSSCGKSA-N 0 0 444.513 4.911 50 0 IJAARN CC(=O)NCCCc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1 ZINC000008750965 569473441 /nfs/dbraw/zinc/47/34/41/569473441.db2.gz ILAPJZNJEOQFKC-UHFFFAOYSA-N 0 0 427.595 4.660 50 0 IJAARN Cc1oc2c(cc3c(C)c(CC(=O)N4CCOCC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000008752005 569473456 /nfs/dbraw/zinc/47/34/56/569473456.db2.gz ICXNZUHSCFGSTH-UHFFFAOYSA-N 0 0 431.488 4.533 50 0 IJAARN CCOc1ccc(Oc2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)cc1 ZINC000008752692 569473580 /nfs/dbraw/zinc/47/35/80/569473580.db2.gz RVLMPCVFNYAYCY-UHFFFAOYSA-N 0 0 425.506 4.675 50 0 IJAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000008764273 569474504 /nfs/dbraw/zinc/47/45/04/569474504.db2.gz IBOJREPISZJSCT-OAHLLOKOSA-N 0 0 428.488 4.927 50 0 biogenic IJAARN COc1ccc(NC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1OC ZINC000008765123 569474698 /nfs/dbraw/zinc/47/46/98/569474698.db2.gz NTWQETSTKJYJLA-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 biogenic IJAARN CCCCN1C(=O)CC[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000008781807 569475708 /nfs/dbraw/zinc/47/57/08/569475708.db2.gz WHOFGVNHDJHISZ-OFNKIYASSA-N 0 0 427.928 4.846 50 0 IJAARN CCOc1ccc(CCN2C(=S)NNC2=C2C=C(c3ccc(C)cc3)N=N2)cc1OCC ZINC000008783448 569475879 /nfs/dbraw/zinc/47/58/79/569475879.db2.gz OELRWSYPUXUTGA-UHFFFAOYSA-N 0 0 449.580 4.972 50 0 IJAARN COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)c1 ZINC000008791549 569476244 /nfs/dbraw/zinc/47/62/44/569476244.db2.gz SRFZIHCTMYOIIB-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 biogenic IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000008824483 569477205 /nfs/dbraw/zinc/47/72/05/569477205.db2.gz MAWLZWZAXASGJJ-JOCHJYFZSA-N 0 0 433.577 4.539 50 0 IJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000008825121 569477268 /nfs/dbraw/zinc/47/72/68/569477268.db2.gz XHJZQCXUYOHIFV-UHFFFAOYSA-N 0 0 442.519 4.704 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2cccc(Cl)c2)c1NC(=O)CC(C)C ZINC000008836347 569478033 /nfs/dbraw/zinc/47/80/33/569478033.db2.gz YTJFPEBAIFMMST-UHFFFAOYSA-N 0 0 440.993 4.612 50 0 IJAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 ZINC000008845539 569478885 /nfs/dbraw/zinc/47/88/85/569478885.db2.gz DQURRGSWDKMPHO-XMMPIXPASA-N 0 0 435.524 4.781 50 0 IJAARN O=C(CSc1nc(CC(=O)Nc2ccc(F)cc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852457 569479505 /nfs/dbraw/zinc/47/95/05/569479505.db2.gz JGCJHNIWTOWURG-UHFFFAOYSA-N 0 0 435.933 4.848 50 0 IJAARN COc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000008852478 569479510 /nfs/dbraw/zinc/47/95/10/569479510.db2.gz MCIZKMVMFBNXSO-UHFFFAOYSA-N 0 0 447.969 4.717 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000008853257 569479562 /nfs/dbraw/zinc/47/95/62/569479562.db2.gz BEDZZGNFGVTICN-UHFFFAOYSA-N 0 0 429.545 4.771 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1 ZINC000008854256 569479633 /nfs/dbraw/zinc/47/96/33/569479633.db2.gz GCHHTBXYKBXSAH-UHFFFAOYSA-N 0 0 445.541 4.723 50 0 IJAARN CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccc(Cl)cc1Cl ZINC000008862385 569480142 /nfs/dbraw/zinc/48/01/42/569480142.db2.gz HOWIEZFEINWJOV-UHFFFAOYSA-N 0 0 441.409 4.784 50 0 IJAARN CCCOc1cccc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000008869786 569480475 /nfs/dbraw/zinc/48/04/75/569480475.db2.gz LUDWIOVCVGWMNG-QFIPXVFZSA-N 0 0 443.609 4.602 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N(Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869719 569480499 /nfs/dbraw/zinc/48/04/99/569480499.db2.gz XSUBATUFLLSDCS-HSZRJFAPSA-N 0 0 435.589 4.967 50 0 IJAARN COC(=O)c1c2cc(NS(=O)(=O)c3ccc(OC)cc3)c(C)cc2oc1C(C)(C)C ZINC000008870369 569480658 /nfs/dbraw/zinc/48/06/58/569480658.db2.gz VFUJQMDGNFOUDD-UHFFFAOYSA-N 0 0 431.510 4.635 50 0 IJAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)c12 ZINC000040024772 569482800 /nfs/dbraw/zinc/48/28/00/569482800.db2.gz SMUSGDAWLUARTM-SNVBAGLBSA-N 0 0 434.279 4.899 50 0 IJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c12 ZINC000040024968 569482820 /nfs/dbraw/zinc/48/28/20/569482820.db2.gz FTGSPGAJPFBCEU-LJQANCHMSA-N 0 0 440.503 4.689 50 0 IJAARN CCOc1ccccc1-c1nnc2n1N=C(c1ccc(NC(=O)C(C)C)cc1)[C@@H](C)S2 ZINC000008882400 569482914 /nfs/dbraw/zinc/48/29/14/569482914.db2.gz IZUJUDBEJWTBLA-OAHLLOKOSA-N 0 0 435.553 4.685 50 0 IJAARN CCCOc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nnco3)cc2)cc1OCCC ZINC000008883269 569483036 /nfs/dbraw/zinc/48/30/36/569483036.db2.gz LACYYMHUKSJCCO-QGZVFWFLSA-N 0 0 439.512 4.570 50 0 IJAARN O=C(Nc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)s1)C1CC1 ZINC000040032315 569483125 /nfs/dbraw/zinc/48/31/25/569483125.db2.gz RJRHHKDPPAROEJ-CQSZACIVSA-N 0 0 427.551 4.532 50 0 IJAARN O=C(Nc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)s1)C1CC1 ZINC000040032313 569483133 /nfs/dbraw/zinc/48/31/33/569483133.db2.gz RJRHHKDPPAROEJ-AWEZNQCLSA-N 0 0 427.551 4.532 50 0 IJAARN COc1cc(C2(CNC(=O)Cc3sc(=S)[nH]c3C)CCCC2)ccc1OC(F)F ZINC000040034397 569483192 /nfs/dbraw/zinc/48/31/92/569483192.db2.gz SNOPKAKGODLRLL-UHFFFAOYSA-N 0 0 442.553 4.521 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000040049140 569483773 /nfs/dbraw/zinc/48/37/73/569483773.db2.gz RQUUBYAWESEDHE-UHFFFAOYSA-N 0 0 430.386 4.919 50 0 IJAARN CCn1c(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)nnc1-c1ccncc1 ZINC000008899299 569484031 /nfs/dbraw/zinc/48/40/31/569484031.db2.gz MHCJJMCTQIFKJU-UHFFFAOYSA-N 0 0 443.576 4.994 50 0 IJAARN O=C(NCc1cccc(Br)c1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000008911727 569484908 /nfs/dbraw/zinc/48/49/08/569484908.db2.gz OFJZTQPLCMNUEW-UHFFFAOYSA-N 0 0 430.371 4.979 50 0 IJAARN CCOc1ccc(CNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000008912204 569484968 /nfs/dbraw/zinc/48/49/68/569484968.db2.gz PURNTYIWCQOYPI-UHFFFAOYSA-N 0 0 446.576 4.611 50 0 IJAARN O=C(NC1CC1)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008913380 569485320 /nfs/dbraw/zinc/48/53/20/569485320.db2.gz JLNVNAJYUHQGFM-UHFFFAOYSA-N 0 0 432.524 4.803 50 0 IJAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)n2)c1 ZINC000008917503 569486024 /nfs/dbraw/zinc/48/60/24/569486024.db2.gz JFWXOJCSCKPUQW-UHFFFAOYSA-N 0 0 449.466 4.770 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008917675 569486069 /nfs/dbraw/zinc/48/60/69/569486069.db2.gz GLTWOUIGBPGJDX-OAHLLOKOSA-N 0 0 437.945 4.523 50 0 IJAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000008921337 569486820 /nfs/dbraw/zinc/48/68/20/569486820.db2.gz AMRIDFDIEXPEPA-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000008921907 569486888 /nfs/dbraw/zinc/48/68/88/569486888.db2.gz MFWBLZPNMCPGPW-QFIPXVFZSA-N 0 0 430.342 4.510 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3c(F)cccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000008932539 569487685 /nfs/dbraw/zinc/48/76/85/569487685.db2.gz SILACEYKIJMRJK-UHFFFAOYSA-N 0 0 430.907 4.942 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c(OC)c1 ZINC000040104372 569488185 /nfs/dbraw/zinc/48/81/85/569488185.db2.gz DJDMUGMFAZZHAY-LJQANCHMSA-N 0 0 443.931 4.853 50 0 IJAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000040116313 569489218 /nfs/dbraw/zinc/48/92/18/569489218.db2.gz UAVXBLAVZQJLCX-DEOSSOPVSA-N 0 0 449.526 4.874 50 0 IJAARN Cn1ccnc1COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000040119392 569489376 /nfs/dbraw/zinc/48/93/76/569489376.db2.gz VLUDXCXXGXPRHB-UHFFFAOYSA-N 0 0 429.505 4.628 50 0 IJAARN Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nc3c(cc(C)cc3C)s2)cs1 ZINC000040128355 569489758 /nfs/dbraw/zinc/48/97/58/569489758.db2.gz ZBRDDQLXKNLUPW-UHFFFAOYSA-N 0 0 426.523 4.705 50 0 IJAARN CCN(C(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000040129120 569489820 /nfs/dbraw/zinc/48/98/20/569489820.db2.gz BIRFRUYLPBHGIH-UHFFFAOYSA-N 0 0 428.573 4.842 50 0 IJAARN CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1cccc(Cl)c1C)C(F)(F)F ZINC000008951269 569489904 /nfs/dbraw/zinc/48/99/04/569489904.db2.gz HUAOPMOUSYFKCS-SFHVURJKSA-N 0 0 449.256 4.965 50 0 IJAARN CC[C@H](C)N1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008952036 569489952 /nfs/dbraw/zinc/48/99/52/569489952.db2.gz LYCAFHNRNMDXRL-ZCWUUALQSA-N 0 0 435.955 4.651 50 0 biogenic IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000008953052 569490067 /nfs/dbraw/zinc/49/00/67/569490067.db2.gz FGVZLHWCHFHPOT-UHFFFAOYSA-N 0 0 438.455 4.962 50 0 IJAARN COc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1OC ZINC000008959250 569490294 /nfs/dbraw/zinc/49/02/94/569490294.db2.gz ZFSCXHZTONKZJY-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN CCCN1c2cc(NC(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000008959701 569490366 /nfs/dbraw/zinc/49/03/66/569490366.db2.gz OLEDKSGZXZROBS-UHFFFAOYSA-N 0 0 431.330 4.863 50 0 IJAARN CC(=O)Nc1cc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)ccc1F ZINC000040132650 569490400 /nfs/dbraw/zinc/49/04/00/569490400.db2.gz COBITSVDRGNHQQ-UHFFFAOYSA-N 0 0 428.895 4.730 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(F)cc1Cl ZINC000040134513 569490556 /nfs/dbraw/zinc/49/05/56/569490556.db2.gz ACGVFRQVRVWBRJ-UHFFFAOYSA-N 0 0 426.801 4.877 50 0 IJAARN CCOc1ccc(-c2nc(C(=O)Nc3cccc(OCCn4cccn4)c3)cs2)cc1 ZINC000040135698 569490760 /nfs/dbraw/zinc/49/07/60/569490760.db2.gz IYKGCMPAVSOEQF-UHFFFAOYSA-N 0 0 434.521 4.737 50 0 IJAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1=O ZINC000008961086 569490902 /nfs/dbraw/zinc/49/09/02/569490902.db2.gz MXKQLSJOHCHWIU-UHFFFAOYSA-N 0 0 428.897 4.664 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1Cl ZINC000008961237 569491009 /nfs/dbraw/zinc/49/10/09/569491009.db2.gz GUWSBHPLQZUHJQ-UHFFFAOYSA-N 0 0 430.869 4.507 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc1O2 ZINC000008961527 569491045 /nfs/dbraw/zinc/49/10/45/569491045.db2.gz LBPPCQLWCBWUDW-UHFFFAOYSA-N 0 0 442.924 4.973 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(F)cc3C)ccc1O2 ZINC000008961494 569491122 /nfs/dbraw/zinc/49/11/22/569491122.db2.gz NHWIGCABXZLBAF-UHFFFAOYSA-N 0 0 426.469 4.626 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008965204 569491310 /nfs/dbraw/zinc/49/13/10/569491310.db2.gz MHZQKOTVTOGXRV-KRWDZBQOSA-N 0 0 434.927 4.966 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1ccc(C)cc1C ZINC000008965340 569491459 /nfs/dbraw/zinc/49/14/59/569491459.db2.gz NVXQXCYXIGLWOX-UHFFFAOYSA-N 0 0 428.536 4.840 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)cc1 ZINC000040140049 569491493 /nfs/dbraw/zinc/49/14/93/569491493.db2.gz JMCYCXAPPDPPTI-UHFFFAOYSA-N 0 0 429.270 4.832 50 0 IJAARN CCC(CC)c1nnc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)s1 ZINC000040140603 569491635 /nfs/dbraw/zinc/49/16/35/569491635.db2.gz NKUFBQNDSXZPLH-UHFFFAOYSA-N 0 0 429.567 4.668 50 0 IJAARN COc1ccc(NC(=O)c2oc(Br)cc2C)cc1NC(=O)OC(C)(C)C ZINC000040142044 569491844 /nfs/dbraw/zinc/49/18/44/569491844.db2.gz ZZGKGYJEZXOLDA-UHFFFAOYSA-N 0 0 425.279 4.958 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)c2cccnc12 ZINC000040146606 569492255 /nfs/dbraw/zinc/49/22/55/569492255.db2.gz GLRREFVODFFNHB-UHFFFAOYSA-N 0 0 431.517 4.737 50 0 IJAARN CC(C)c1cc(C(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c2ccccc2n1 ZINC000040146986 569492364 /nfs/dbraw/zinc/49/23/64/569492364.db2.gz QAKGRBXYDWYPSV-UHFFFAOYSA-N 0 0 441.531 4.507 50 0 IJAARN Oc1ccccc1CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000040149343 569492443 /nfs/dbraw/zinc/49/24/43/569492443.db2.gz QLYRKFUSFBOZKS-UHFFFAOYSA-N 0 0 446.576 4.551 50 0 IJAARN O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000008972435 569492774 /nfs/dbraw/zinc/49/27/74/569492774.db2.gz BTTIQDHOWUKEGS-UHFFFAOYSA-N 0 0 432.130 4.758 50 0 IJAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)N(Cc3cccc(F)c3)C3CC3)cc2)c1C ZINC000040151168 569493309 /nfs/dbraw/zinc/49/33/09/569493309.db2.gz IPUPCDJTVRQKLV-UHFFFAOYSA-N 0 0 436.487 4.693 50 0 IJAARN C[C@]1(c2ccco2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O ZINC000008981502 569494407 /nfs/dbraw/zinc/49/44/07/569494407.db2.gz MGKSOJYBEVUEKQ-XMMPIXPASA-N 0 0 446.894 4.753 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2=O)cc1 ZINC000040159431 569494677 /nfs/dbraw/zinc/49/46/77/569494677.db2.gz GDZXYDIJPYTAIH-LBPRGKRZSA-N 0 0 433.505 4.911 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(C2CC2)nc2ccccc21 ZINC000008987127 569494912 /nfs/dbraw/zinc/49/49/12/569494912.db2.gz HDJNGMHFNZEMEZ-UHFFFAOYSA-N 0 0 430.533 4.811 50 0 IJAARN COc1ccc2c(c1)c(-c1csc(NC(=O)c3cccc(NC(C)=O)c3)n1)c(C)n2C ZINC000008993111 569495452 /nfs/dbraw/zinc/49/54/52/569495452.db2.gz ZTKKKOVWUXUNCB-UHFFFAOYSA-N 0 0 434.521 4.830 50 0 IJAARN CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000008993837 569495517 /nfs/dbraw/zinc/49/55/17/569495517.db2.gz JMWMGEOQNAGKGH-UHFFFAOYSA-N 0 0 435.955 4.584 50 0 IJAARN Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)c(Br)c1 ZINC000009031562 569497079 /nfs/dbraw/zinc/49/70/79/569497079.db2.gz XETOYOFIINQOSM-UHFFFAOYSA-N 0 0 444.329 4.624 50 0 IJAARN COc1ccccc1OCC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 ZINC000009031568 569497117 /nfs/dbraw/zinc/49/71/17/569497117.db2.gz LIHKJXCTVSOSPG-UHFFFAOYSA-N 0 0 435.524 4.794 50 0 IJAARN OCCn1c2ncn3nc(Cc4ccccc4)nc3c2c(-c2ccccc2)c1-c1ccccc1 ZINC000009042947 569497841 /nfs/dbraw/zinc/49/78/41/569497841.db2.gz WCWFBPZTBIZYSA-UHFFFAOYSA-N 0 0 445.526 4.996 50 0 IJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4cc(C)ccc4OC)ccc32)cc1 ZINC000009045291 569498083 /nfs/dbraw/zinc/49/80/83/569498083.db2.gz CBTJOGRUNWYKPG-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 biogenic IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1CCc1ccccc1 ZINC000009058077 569499202 /nfs/dbraw/zinc/49/92/02/569499202.db2.gz GZGCPCVPRSCTAB-UHFFFAOYSA-N 0 0 431.565 4.513 50 0 IJAARN Cc1c2ccc(OCC(=O)Nc3nc4ccccc4[nH]3)cc2oc(=O)c1Cc1ccccc1 ZINC000009059523 569499357 /nfs/dbraw/zinc/49/93/57/569499357.db2.gz ZOYLJDYUFYCETB-UHFFFAOYSA-N 0 0 439.471 4.586 50 0 IJAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000009073171 569500175 /nfs/dbraw/zinc/50/01/75/569500175.db2.gz SLHGTHPHJDBWSG-OAHLLOKOSA-N 0 0 431.970 4.847 50 0 IJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000009076299 569500312 /nfs/dbraw/zinc/50/03/12/569500312.db2.gz MVHDFNBQADRQKO-UHFFFAOYSA-N 0 0 427.489 4.602 50 0 IJAARN CC(C)Oc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000009094954 569501271 /nfs/dbraw/zinc/50/12/71/569501271.db2.gz KWBNNZRCYMIVAI-UHFFFAOYSA-N 0 0 438.549 4.692 50 0 IJAARN O=C(COc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000009109433 569501960 /nfs/dbraw/zinc/50/19/60/569501960.db2.gz CELOWCPZCBKZJX-VXKWHMMOSA-N 0 0 443.482 4.581 50 0 IJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245276853 569501962 /nfs/dbraw/zinc/50/19/62/569501962.db2.gz XSQUAHPSNSIDIS-LLBQEJIASA-N 0 0 425.573 4.704 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)Nc1ccc3c(c1)OCO3)cc2-c1cccnc1 ZINC000009114568 569502643 /nfs/dbraw/zinc/50/26/43/569502643.db2.gz NYLYOAQWAMAYBM-UHFFFAOYSA-N 0 0 445.500 4.765 50 0 IJAARN Cc1cccc([S@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)c1 ZINC000009115397 569502734 /nfs/dbraw/zinc/50/27/34/569502734.db2.gz AIEACZHKOGTGJG-SANMLTNESA-N 0 0 432.339 4.588 50 0 IJAARN COc1cccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)CC2)c1 ZINC000009117269 569503124 /nfs/dbraw/zinc/50/31/24/569503124.db2.gz GJKQNCYUTAVONR-UHFFFAOYSA-N 0 0 447.564 4.630 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1cccc(F)c1 ZINC000009118320 569503247 /nfs/dbraw/zinc/50/32/47/569503247.db2.gz MURLYLGNZQAYME-UHFFFAOYSA-N 0 0 425.529 4.524 50 0 IJAARN Cc1ccccc1NC(=O)CSc1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 ZINC000009118467 569503394 /nfs/dbraw/zinc/50/33/94/569503394.db2.gz DYJZIWJRPPPQHZ-UHFFFAOYSA-N 0 0 435.593 4.939 50 0 IJAARN CCn1c(CSc2ccc(OC)cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009126781 569505028 /nfs/dbraw/zinc/50/50/28/569505028.db2.gz HZESWJMBYUNRGM-UHFFFAOYSA-N 0 0 445.610 4.532 50 0 IJAARN CCOc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(OCC)c1OCC ZINC000009128733 569505504 /nfs/dbraw/zinc/50/55/04/569505504.db2.gz XAFYHBNOXLGOJX-UHFFFAOYSA-N 0 0 445.903 4.516 50 0 IJAARN O=C(Nc1ccccc1Br)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000069441329 569506547 /nfs/dbraw/zinc/50/65/47/569506547.db2.gz SMNOCSMEKLHNIK-MRXNPFEDSA-N 0 0 442.140 4.999 50 0 IJAARN Cc1ccc(OCc2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)cc1 ZINC000040488352 569506888 /nfs/dbraw/zinc/50/68/88/569506888.db2.gz POBXRISHBAZSGL-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000009131665 569506932 /nfs/dbraw/zinc/50/69/32/569506932.db2.gz JHQHKTMBDURMRR-OAHLLOKOSA-N 0 0 425.485 4.520 50 0 IJAARN Cc1nc2nc(CC(=O)Nc3ccccc3Cl)nn2c(C)c1Cc1ccccc1Cl ZINC000009134244 569507027 /nfs/dbraw/zinc/50/70/27/569507027.db2.gz DZFKCZHKUMQVSF-UHFFFAOYSA-N 0 0 440.334 4.820 50 0 IJAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(C2CCCCC2)cc1 ZINC000009154285 569508184 /nfs/dbraw/zinc/50/81/84/569508184.db2.gz BKHYCJCAYRFLCF-QHCPKHFHSA-N 0 0 429.520 4.561 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009158357 569508476 /nfs/dbraw/zinc/50/84/76/569508476.db2.gz GZFYNFKVCZYUAI-OAQYLSRUSA-N 0 0 432.863 4.908 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000009161035 569508746 /nfs/dbraw/zinc/50/87/46/569508746.db2.gz GZFYNFKVCZYUAI-NRFANRHFSA-N 0 0 432.863 4.908 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169498 569509210 /nfs/dbraw/zinc/50/92/10/569509210.db2.gz HSZBFTOGYCUKMY-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009171928 569509489 /nfs/dbraw/zinc/50/94/89/569509489.db2.gz DALDNRKOFOYQKT-UHFFFAOYSA-N 0 0 430.570 4.574 50 0 IJAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCc1ccccn1 ZINC000009186029 569510154 /nfs/dbraw/zinc/51/01/54/569510154.db2.gz VFJFQKSDHNHDGP-RUZDIDTESA-N 0 0 426.545 4.751 50 0 IJAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)c(C)n1 ZINC000009192331 569510761 /nfs/dbraw/zinc/51/07/61/569510761.db2.gz YUSBSSIERUKALF-FPYGCLRLSA-N 0 0 426.108 4.576 50 0 IJAARN Cc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)C)cc3Br)n2)cc1 ZINC000009194199 569510862 /nfs/dbraw/zinc/51/08/62/569510862.db2.gz ZDNDMQBNBKXAIZ-UHFFFAOYSA-N 0 0 444.329 4.626 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)CCCC5)n3C)n2)cc1 ZINC000009193301 569510864 /nfs/dbraw/zinc/51/08/64/569510864.db2.gz UJBMJJIQTGSIKO-UHFFFAOYSA-N 0 0 433.537 4.712 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009197941 569511044 /nfs/dbraw/zinc/51/10/44/569511044.db2.gz FPQNFHPMKJNBHB-RBUKOAKNSA-N 0 0 427.961 4.509 50 0 IJAARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C[C@H](C)O1 ZINC000009209504 569511588 /nfs/dbraw/zinc/51/15/88/569511588.db2.gz NPXSDQZKPRZKDZ-GJZGRUSLSA-N 0 0 448.997 4.928 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000009216599 569512133 /nfs/dbraw/zinc/51/21/33/569512133.db2.gz WSWDMOKNTAREKL-UHFFFAOYSA-N 0 0 435.549 4.648 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4ccc(Cl)cc4)n3c2c1 ZINC000009221454 569512668 /nfs/dbraw/zinc/51/26/68/569512668.db2.gz GRMRIHCAEYBQHE-ZDUSSCGKSA-N 0 0 426.929 4.972 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CC=CCC2)c1 ZINC000009223583 569513001 /nfs/dbraw/zinc/51/30/01/569513001.db2.gz JABQHBWQZWXEPF-SFHVURJKSA-N 0 0 428.554 4.804 50 0 IJAARN COc1cc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc(OC)c1OC ZINC000009228267 569513575 /nfs/dbraw/zinc/51/35/75/569513575.db2.gz XZXWSLOZKDFSNJ-UHFFFAOYSA-N 0 0 446.525 4.600 50 0 IJAARN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c1 ZINC000009228265 569513588 /nfs/dbraw/zinc/51/35/88/569513588.db2.gz JJPOHZBRRYJLCZ-UHFFFAOYSA-N 0 0 428.510 4.751 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1 ZINC000009238251 569514274 /nfs/dbraw/zinc/51/42/74/569514274.db2.gz YZOGMPNPODSHME-SFTDATJTSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 ZINC000009238361 569514290 /nfs/dbraw/zinc/51/42/90/569514290.db2.gz SFHQPJYHHRWPAC-LEWJYISDSA-N 0 0 445.523 4.790 50 0 IJAARN O=C(Nc1ccccc1F)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 ZINC000009238407 569514316 /nfs/dbraw/zinc/51/43/16/569514316.db2.gz ZBICHAAMRJSZCQ-UXHICEINSA-N 0 0 449.486 4.621 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239239 569514491 /nfs/dbraw/zinc/51/44/91/569514491.db2.gz DDHPODDYMWGTPG-MOPGFXCFSA-N 0 0 445.951 4.729 50 0 IJAARN O=C(c1nc2ccccc2s1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 ZINC000009242265 569514677 /nfs/dbraw/zinc/51/46/77/569514677.db2.gz KMKYYOAVBMHHDQ-UHFFFAOYSA-N 0 0 446.513 4.877 50 0 IJAARN Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(SCC(=O)Nc2nccs2)n1 ZINC000009250058 569515660 /nfs/dbraw/zinc/51/56/60/569515660.db2.gz LZNFQOVOWSWKCF-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN NC(=O)N[C@H](CC(=O)Nc1cccc2cccnc21)c1cccc(Oc2ccccc2)c1 ZINC000009254403 569516336 /nfs/dbraw/zinc/51/63/36/569516336.db2.gz ORWWXYHQLGLRLF-JOCHJYFZSA-N 0 0 426.476 4.765 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)s1 ZINC000009254353 569516358 /nfs/dbraw/zinc/51/63/58/569516358.db2.gz OIOSRWCKLAMOBT-LLVKDONJSA-N 0 0 447.607 4.596 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1Br ZINC000009254983 569516472 /nfs/dbraw/zinc/51/64/72/569516472.db2.gz KIXWUWPRWDLMJW-UHFFFAOYSA-N 0 0 441.310 4.777 50 0 IJAARN CCOc1ccccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000009266648 569517470 /nfs/dbraw/zinc/51/74/70/569517470.db2.gz IVYVTHVIMPKRAN-UHFFFAOYSA-N 0 0 426.520 4.935 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3cccc(Cl)c3C)c2n1 ZINC000009268363 569517582 /nfs/dbraw/zinc/51/75/82/569517582.db2.gz KTQZWZCPCOJKBF-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1ccc2c(C[NH2+]Cc3ccc4c(c3)OCO4)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274901 569518301 /nfs/dbraw/zinc/51/83/01/569518301.db2.gz FZYYQLNSTKNUMU-UHFFFAOYSA-N 0 0 446.478 4.854 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000009283554 569518893 /nfs/dbraw/zinc/51/88/93/569518893.db2.gz VRAWJUNZEZUATR-VIFPVBQESA-N 0 0 429.325 4.814 50 0 IJAARN COCCCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccc(Cl)cc1 ZINC000009283625 569518926 /nfs/dbraw/zinc/51/89/26/569518926.db2.gz LIRWISJNKGEYKF-UHFFFAOYSA-N 0 0 432.977 4.565 50 0 IJAARN CC(C)CCn1c(SCC(N)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000009284335 569519074 /nfs/dbraw/zinc/51/90/74/569519074.db2.gz SZKPGVQSEHTAMW-UHFFFAOYSA-N 0 0 431.565 4.784 50 0 IJAARN O=c1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)nc2sccn21 ZINC000009284441 569519095 /nfs/dbraw/zinc/51/90/95/569519095.db2.gz GSWHXMGKBFCFMK-UHFFFAOYSA-N 0 0 432.939 4.966 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c1 ZINC000009289590 569519566 /nfs/dbraw/zinc/51/95/66/569519566.db2.gz JAYWHLIOPQHCIH-UHFFFAOYSA-N 0 0 449.532 4.515 50 0 IJAARN O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000069815425 569519784 /nfs/dbraw/zinc/51/97/84/569519784.db2.gz PNWRIIFFLADSOR-LJQANCHMSA-N 0 0 432.490 4.797 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000009291858 569519882 /nfs/dbraw/zinc/51/98/82/569519882.db2.gz FDYFVRRXFIMSNS-RBUKOAKNSA-N 0 0 449.898 4.932 50 0 IJAARN COc1ccc(OCCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000009292391 569520002 /nfs/dbraw/zinc/52/00/02/569520002.db2.gz UTZJCXLJSKHEAF-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1C[C@H](O)c1ccccc1 ZINC000009292414 569520016 /nfs/dbraw/zinc/52/00/16/569520016.db2.gz AEHPWXWXVIHMOO-SIKLNZKXSA-N 0 0 431.875 4.725 50 0 IJAARN COc1ccc(-n2c(NCc3ccncc3)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000009293776 569520325 /nfs/dbraw/zinc/52/03/25/569520325.db2.gz QOKIVXXDMCSRQB-UHFFFAOYSA-N 0 0 432.549 4.732 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C(C)C)sc1C ZINC000009303873 569521071 /nfs/dbraw/zinc/52/10/71/569521071.db2.gz ZXGGRSQGPZZYLV-UHFFFAOYSA-N 0 0 445.614 4.859 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000009307415 569521418 /nfs/dbraw/zinc/52/14/18/569521418.db2.gz AWCDSTNPTDTIED-UHFFFAOYSA-N 0 0 434.521 4.716 50 0 IJAARN CCOc1ccccc1[C@@H]1Oc2ccc(C)cc2C2=C1[C@H](c1cccnc1)N1NC=NC1=N2 ZINC000009309781 569521622 /nfs/dbraw/zinc/52/16/22/569521622.db2.gz YVPGWSJMYWZOBR-DQEYMECFSA-N 0 0 437.503 4.593 50 0 IJAARN CCOc1ccccc1[C@H]1Oc2ccc(C)cc2C2=C1[C@H](c1cccnc1)N1NC=NC1=N2 ZINC000009309780 569521663 /nfs/dbraw/zinc/52/16/63/569521663.db2.gz YVPGWSJMYWZOBR-LOSJGSFVSA-N 0 0 437.503 4.593 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3cn4cc(C(F)(F)F)cc(Cl)c4n3)cc2)n1 ZINC000009335334 569523310 /nfs/dbraw/zinc/52/33/10/569523310.db2.gz HCEQEYAEZRVOHG-UHFFFAOYSA-N 0 0 447.848 4.739 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2s1 ZINC000009336510 569523381 /nfs/dbraw/zinc/52/33/81/569523381.db2.gz OGBNVOAZPJQBTO-UHFFFAOYSA-N 0 0 438.480 4.923 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000009337776 569523546 /nfs/dbraw/zinc/52/35/46/569523546.db2.gz DLUACJQMTQKMPW-HSZRJFAPSA-N 0 0 436.508 4.865 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cncn1-c1ccccc1)CC2 ZINC000009349746 569524825 /nfs/dbraw/zinc/52/48/25/569524825.db2.gz UZULLGQJSNXAPV-DEOSSOPVSA-N 0 0 445.544 4.739 50 0 IJAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccccc1)cc2C ZINC000009354643 569525083 /nfs/dbraw/zinc/52/50/83/569525083.db2.gz KPTGLZCGRUUEOA-UHFFFAOYSA-N 0 0 431.238 4.712 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000009364854 569526064 /nfs/dbraw/zinc/52/60/64/569526064.db2.gz AFBATWFPCJVLSA-QFIPXVFZSA-N 0 0 445.519 4.800 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000009366339 569526209 /nfs/dbraw/zinc/52/62/09/569526209.db2.gz DXYHYWWBSRQHGX-JOCHJYFZSA-N 0 0 448.906 4.505 50 0 IJAARN COc1ccc(Cc2noc(C3(c4cccc(Br)c4)CCOCC3)n2)cc1 ZINC000069972848 569526350 /nfs/dbraw/zinc/52/63/50/569526350.db2.gz OOUUZKMZZOFYOU-UHFFFAOYSA-N 0 0 429.314 4.528 50 0 IJAARN Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc21 ZINC000009367352 569526469 /nfs/dbraw/zinc/52/64/69/569526469.db2.gz VCGVIXANMATSLQ-GJZGRUSLSA-N 0 0 443.594 4.524 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000009368532 569526582 /nfs/dbraw/zinc/52/65/82/569526582.db2.gz VSNRRCSLBXXFAN-UHFFFAOYSA-N 0 0 438.277 4.719 50 0 IJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)s1 ZINC000009368780 569526693 /nfs/dbraw/zinc/52/66/93/569526693.db2.gz ZFLWXEAJZNQLOC-UHFFFAOYSA-N 0 0 444.607 4.923 50 0 IJAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000009374740 569527176 /nfs/dbraw/zinc/52/71/76/569527176.db2.gz KJVMSIUSLBCUFC-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CC(=O)n1c2ccccc2nc1S[C@H](c1ccccc1)c1nc2ccccc2[nH]c1=O ZINC000009374925 569527243 /nfs/dbraw/zinc/52/72/43/569527243.db2.gz RGTHHWHVZREAEE-JOCHJYFZSA-N 0 0 426.501 4.815 50 0 IJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000009375913 569527258 /nfs/dbraw/zinc/52/72/58/569527258.db2.gz UXWJYZSKXXRITM-UHFFFAOYSA-N 0 0 443.528 4.528 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CSc2nnc(NC[C@@H]3CCCO3)s2)cc1 ZINC000009376164 569527288 /nfs/dbraw/zinc/52/72/88/569527288.db2.gz HHMMOPRNHUDTAK-SFHVURJKSA-N 0 0 426.567 4.674 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000009377204 569527445 /nfs/dbraw/zinc/52/74/45/569527445.db2.gz WPSCNUROMCNTSJ-XMMPIXPASA-N 0 0 440.499 4.838 50 0 IJAARN Cc1ccc(Nc2ncccc2C(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c(C)c1 ZINC000009378757 569527642 /nfs/dbraw/zinc/52/76/42/569527642.db2.gz BQRJXSJFSIXWBG-UHFFFAOYSA-N 0 0 441.535 4.562 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1OCC ZINC000009378433 569527656 /nfs/dbraw/zinc/52/76/56/569527656.db2.gz KPXHWNGJXZMMIS-UHFFFAOYSA-N 0 0 441.915 4.744 50 0 IJAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)CCC1CCCC1 ZINC000009381292 569528130 /nfs/dbraw/zinc/52/81/30/569528130.db2.gz CLRLJDXPCSMMKS-UHFFFAOYSA-N 0 0 439.537 4.533 50 0 IJAARN Fc1ccc([C@H]2c3nc[nH]c3CCN2C(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009382429 569528281 /nfs/dbraw/zinc/52/82/81/569528281.db2.gz QHOKDTVHUUDXCM-SFHVURJKSA-N 0 0 436.434 4.792 50 0 IJAARN O=C(CSCC(=O)OCc1csc(-c2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000009390350 569528640 /nfs/dbraw/zinc/52/86/40/569528640.db2.gz JLLRXXGDLZCAPY-UHFFFAOYSA-N 0 0 432.954 4.879 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009398841 569529289 /nfs/dbraw/zinc/52/92/89/569529289.db2.gz ZWRBRHABRAOLSA-CABCVRRESA-N 0 0 429.973 4.818 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000009398902 569529298 /nfs/dbraw/zinc/52/92/98/569529298.db2.gz XOIREDQSQGNDDA-ZIAGYGMSSA-N 0 0 447.963 4.957 50 0 IJAARN O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Br)cc1 ZINC000009403967 569529530 /nfs/dbraw/zinc/52/95/30/569529530.db2.gz WLGUDUPKJLZVMC-UHFFFAOYSA-N 0 0 446.351 4.922 50 0 IJAARN COc1ccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000009404038 569529590 /nfs/dbraw/zinc/52/95/90/569529590.db2.gz LGTNWSAUEPBGOP-UHFFFAOYSA-N 0 0 436.356 4.707 50 0 IJAARN Cc1ccc(-c2cn3c4ccc(C(=O)N5CCC6(CC5)OCCO6)cc4sc3n2)c(C)c1 ZINC000009406648 569530121 /nfs/dbraw/zinc/53/01/21/569530121.db2.gz XQVGJGQCZUGIEC-UHFFFAOYSA-N 0 0 447.560 4.812 50 0 IJAARN Cc1nc2nc(-c3ccc(Cl)cc3Cl)nn2c(C)c1CCC(=O)NCCC(C)C ZINC000009408610 569530672 /nfs/dbraw/zinc/53/06/72/569530672.db2.gz LPLDUMQTXYFHAZ-UHFFFAOYSA-N 0 0 434.371 4.810 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC ZINC000009409235 569530934 /nfs/dbraw/zinc/53/09/34/569530934.db2.gz QUWSNEPGDJGLSE-XMMPIXPASA-N 0 0 435.524 4.925 50 0 IJAARN COc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000009409817 569531144 /nfs/dbraw/zinc/53/11/44/569531144.db2.gz CFUAIMNYZHWABX-UHFFFAOYSA-N 0 0 429.476 4.596 50 0 IJAARN O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000009412488 569531570 /nfs/dbraw/zinc/53/15/70/569531570.db2.gz QLUXZJJNZOSULV-UHFFFAOYSA-N 0 0 425.579 4.648 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000009412375 569531578 /nfs/dbraw/zinc/53/15/78/569531578.db2.gz FGHTYIXVLJIJJO-HZPDHXFCSA-N 0 0 431.627 4.549 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@](=O)C3)c(C)c1 ZINC000009413705 569531848 /nfs/dbraw/zinc/53/18/48/569531848.db2.gz RTPUGGLJMFKACL-MUUNZHRXSA-N 0 0 434.348 4.811 50 0 IJAARN COc1ccc(-n2ccnc2SCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000009417640 569532433 /nfs/dbraw/zinc/53/24/33/569532433.db2.gz QGSAJYNHBHHNMZ-QFIPXVFZSA-N 0 0 435.574 4.940 50 0 IJAARN COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn3nc(Cc4ccccc4)nc3c21 ZINC000009429601 569533724 /nfs/dbraw/zinc/53/37/24/569533724.db2.gz UTQUKQFNLFERNB-QHCPKHFHSA-N 0 0 436.471 4.715 50 0 IJAARN O=C(Oc1cc2sc(=O)oc2c(-c2ccc(Cl)cc2)c1)[C@H]1COc2ccccc2O1 ZINC000009430763 569533998 /nfs/dbraw/zinc/53/39/98/569533998.db2.gz VNSGTZVWZFFQAK-GOSISDBHSA-N 0 0 440.860 4.920 50 0 IJAARN CCc1ccc2oc(C(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 ZINC000009431306 569534152 /nfs/dbraw/zinc/53/41/52/569534152.db2.gz CTQKKGPNMXJVBF-QGZVFWFLSA-N 0 0 431.579 4.503 50 0 IJAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccc(OC)cc1 ZINC000009433732 569534606 /nfs/dbraw/zinc/53/46/06/569534606.db2.gz VOIUXLKHFJKPFI-UHFFFAOYSA-N 0 0 428.488 4.675 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009435585 569534798 /nfs/dbraw/zinc/53/47/98/569534798.db2.gz AOIWKDKAWYSZBE-UHFFFAOYSA-N 0 0 442.556 4.682 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc2c1 ZINC000009435299 569534840 /nfs/dbraw/zinc/53/48/40/569534840.db2.gz BDOHDRKYTUATSP-UHFFFAOYSA-N 0 0 438.911 4.536 50 0 IJAARN O=C(COc1cc2ccccc2cc1C(=O)NCc1ccccc1)NCc1ccc(F)cc1 ZINC000009439155 569534997 /nfs/dbraw/zinc/53/49/97/569534997.db2.gz HDKKFPYOWLPRJF-UHFFFAOYSA-N 0 0 442.490 4.604 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009440154 569535145 /nfs/dbraw/zinc/53/51/45/569535145.db2.gz QJTMTALQZPDZJB-LJQANCHMSA-N 0 0 444.531 4.779 50 0 IJAARN COc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000009441568 569535379 /nfs/dbraw/zinc/53/53/79/569535379.db2.gz ZTFSTSHZLOVTLX-HXUWFJFHSA-N 0 0 439.899 4.879 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000009444881 569535835 /nfs/dbraw/zinc/53/58/35/569535835.db2.gz HYGOYZRUVAPLKC-UHFFFAOYSA-N 0 0 437.908 4.620 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccc(F)cc2s1 ZINC000009446611 569535936 /nfs/dbraw/zinc/53/59/36/569535936.db2.gz CPMRKENDQJYILX-LJQANCHMSA-N 0 0 429.432 4.687 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000009447211 569536032 /nfs/dbraw/zinc/53/60/32/569536032.db2.gz NFBSNVMRDXRJIV-UHFFFAOYSA-N 0 0 428.879 4.603 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(C)n1C ZINC000009459486 569536850 /nfs/dbraw/zinc/53/68/50/569536850.db2.gz NTSWPWYYBUKDKF-UHFFFAOYSA-N 0 0 429.472 4.763 50 0 IJAARN O=c1c2ccc(-c3nnc(SCc4nc5ccccc5o4)o3)cc2nc2n1CCCCC2 ZINC000009464658 569537754 /nfs/dbraw/zinc/53/77/54/569537754.db2.gz LWNUFQIUWWZQQC-UHFFFAOYSA-N 0 0 445.504 4.606 50 0 IJAARN CCCn1c2ccccc2nc1NC(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000009465341 569537933 /nfs/dbraw/zinc/53/79/33/569537933.db2.gz XHACOMKGPIDJIU-UHFFFAOYSA-N 0 0 432.318 4.868 50 0 IJAARN Cc1ccc(Nc2nc(COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cs2)cc1 ZINC000009465538 569537962 /nfs/dbraw/zinc/53/79/62/569537962.db2.gz JUTDEHCXFKHQQS-UHFFFAOYSA-N 0 0 438.477 4.548 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000009466228 569538113 /nfs/dbraw/zinc/53/81/13/569538113.db2.gz POBAPGRJLBLXEX-DEOSSOPVSA-N 0 0 436.508 4.769 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000009466226 569538138 /nfs/dbraw/zinc/53/81/38/569538138.db2.gz POBAPGRJLBLXEX-XMMPIXPASA-N 0 0 436.508 4.769 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2C)cc1 ZINC000009466059 569538162 /nfs/dbraw/zinc/53/81/62/569538162.db2.gz WGGOMJGVDXGWDR-UHFFFAOYSA-N 0 0 428.561 4.788 50 0 IJAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000009466652 569538261 /nfs/dbraw/zinc/53/82/61/569538261.db2.gz YVKMFQUJDCRRBV-GFCCVEGCSA-N 0 0 429.851 4.584 50 0 IJAARN C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009467304 569538411 /nfs/dbraw/zinc/53/84/11/569538411.db2.gz NCNWXFPRGIJCJZ-NBGIEHNGSA-N 0 0 438.531 4.611 50 0 IJAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)c2C(N)=O)C1 ZINC000009467996 569538516 /nfs/dbraw/zinc/53/85/16/569538516.db2.gz PAYVXVHNXXRVMB-GFCCVEGCSA-N 0 0 428.485 4.535 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000009483328 569539522 /nfs/dbraw/zinc/53/95/22/569539522.db2.gz SNHFSFQVMLGVSH-UHFFFAOYSA-N 0 0 438.553 4.687 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000009483098 569539559 /nfs/dbraw/zinc/53/95/59/569539559.db2.gz KXQQHFSNMQHTPQ-INIZCTEOSA-N 0 0 431.414 4.557 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3c(F)cccc3F)c2oc1-c1ccccc1 ZINC000009486915 569539660 /nfs/dbraw/zinc/53/96/60/569539660.db2.gz YIJKZLTUUTZPIU-UHFFFAOYSA-N 0 0 449.409 4.842 50 0 IJAARN Cc1c(OC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000009488536 569539876 /nfs/dbraw/zinc/53/98/76/569539876.db2.gz RKRHPIWULSHPQR-UHFFFAOYSA-N 0 0 441.524 4.533 50 0 IJAARN CCCCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F ZINC000009490247 569540099 /nfs/dbraw/zinc/54/00/99/569540099.db2.gz HPQJXDIORJOSIY-UHFFFAOYSA-N 0 0 433.332 4.805 50 0 IJAARN O=C(CNC(=O)C1CCCCC1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000009491540 569540403 /nfs/dbraw/zinc/54/04/03/569540403.db2.gz VCARSNYNJOUWGR-FQEVSTJZSA-N 0 0 437.971 4.766 50 0 IJAARN O=C(Nc1ccccc1C(O)(c1ccccc1)c1ccccc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000009493038 569540681 /nfs/dbraw/zinc/54/06/81/569540681.db2.gz YRYVJBDWLYVRBM-SANMLTNESA-N 0 0 449.506 4.691 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000009493450 569540740 /nfs/dbraw/zinc/54/07/40/569540740.db2.gz BNBSSOVMUNYXGC-UHFFFAOYSA-N 0 0 442.151 4.705 50 0 IJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N(C)Cc1ccccc1 ZINC000009495988 569541136 /nfs/dbraw/zinc/54/11/36/569541136.db2.gz DMQVMXDKNHDUQI-INIZCTEOSA-N 0 0 431.565 4.901 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1Br ZINC000009496001 569541150 /nfs/dbraw/zinc/54/11/50/569541150.db2.gz STSWNWPMSXBPDJ-GOSISDBHSA-N 0 0 430.277 4.790 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n1C ZINC000009496475 569541204 /nfs/dbraw/zinc/54/12/04/569541204.db2.gz PKBKVDOAOCELAW-CQSZACIVSA-N 0 0 445.386 4.523 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000009503765 569541813 /nfs/dbraw/zinc/54/18/13/569541813.db2.gz PMRHKEICBCGNKA-UHFFFAOYSA-N 0 0 437.849 4.843 50 0 IJAARN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1cc(Cl)c(OCC)c(OC)c1 ZINC000009510647 569542796 /nfs/dbraw/zinc/54/27/96/569542796.db2.gz PVZMOMJZHRVLLL-BQYQJAHWSA-N 0 0 443.927 4.833 50 0 IJAARN Cc1sc2ncn(CC(=O)Nc3ccc(N4CCCC4)cc3)c(=O)c2c1-c1ccccc1 ZINC000009512667 569542995 /nfs/dbraw/zinc/54/29/95/569542995.db2.gz VHIYPOQDVKCVFU-UHFFFAOYSA-N 0 0 444.560 4.672 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 ZINC000009518356 569544057 /nfs/dbraw/zinc/54/40/57/569544057.db2.gz MMMVBGUKRIYHIB-MRXNPFEDSA-N 0 0 434.370 4.701 50 0 IJAARN COc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccc(OC)cc3)c2C(=O)[O-])cc1 ZINC000009531438 569545177 /nfs/dbraw/zinc/54/51/77/569545177.db2.gz GHRDAMKKBNIVSB-UHFFFAOYSA-N 0 0 430.504 4.695 50 0 IJAARN COc1ccc(OC)c(C[NH2+]Cc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])c1 ZINC000009531671 569545249 /nfs/dbraw/zinc/54/52/49/569545249.db2.gz GYDVHOFVHHZWHI-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN CCn1c2cc(C)ccc2c(C[NH2+]Cc2cc(Br)ccc2OC)c1C(=O)[O-] ZINC000009532893 569545355 /nfs/dbraw/zinc/54/53/55/569545355.db2.gz HJWXXSBQNKJOTL-UHFFFAOYSA-N 0 0 431.330 4.729 50 0 IJAARN Cn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000009540379 569545800 /nfs/dbraw/zinc/54/58/00/569545800.db2.gz HQEQMMJVAKNAKI-UHFFFAOYSA-N 0 0 441.000 4.709 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(OC)c(OC)c2)s1 ZINC000009540669 569545836 /nfs/dbraw/zinc/54/58/36/569545836.db2.gz NLSHYTCELWKCEA-UHFFFAOYSA-N 0 0 431.539 4.673 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000009545170 569546068 /nfs/dbraw/zinc/54/60/68/569546068.db2.gz PVJMZRLSJRBDKA-UHFFFAOYSA-N 0 0 427.353 4.729 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)c1cccs1 ZINC000009548916 569546530 /nfs/dbraw/zinc/54/65/30/569546530.db2.gz UWPISETXAPRUPU-LJQANCHMSA-N 0 0 434.517 4.749 50 0 IJAARN O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000009578261 569548265 /nfs/dbraw/zinc/54/82/65/569548265.db2.gz WWOBJTCLHYTEOW-UHFFFAOYSA-N 0 0 433.851 4.639 50 0 IJAARN COc1ccc(Br)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000070635476 569548684 /nfs/dbraw/zinc/54/86/84/569548684.db2.gz LXBIUGNEQICNIN-KRWDZBQOSA-N 0 0 444.247 4.690 50 0 IJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009582033 569549173 /nfs/dbraw/zinc/54/91/73/569549173.db2.gz FMMUOOYXHMUZQV-UHFFFAOYSA-N 0 0 432.716 4.518 50 0 IJAARN C[C@@H]1CSC(N(C(=O)[C@H]2CCCN2C(=O)c2cccs2)c2ccc(Cl)cc2)=N1 ZINC000009581976 569549203 /nfs/dbraw/zinc/54/92/03/569549203.db2.gz QTFGBXCUHJDUCL-CZUORRHYSA-N 0 0 433.986 4.531 50 0 IJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2c(cccc2F)s1 ZINC000009581902 569549205 /nfs/dbraw/zinc/54/92/05/569549205.db2.gz NFWFWPGHZVAEHM-UHFFFAOYSA-N 0 0 438.480 4.923 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1C ZINC000009584867 569549433 /nfs/dbraw/zinc/54/94/33/569549433.db2.gz ASAJLUGHNVSXIL-UHFFFAOYSA-N 0 0 425.583 4.962 50 0 IJAARN COc1ccc2ccccc2c1[C@@H]1OC(c2ccc(Br)cc2)=NN1C(C)=O ZINC000009584912 569549458 /nfs/dbraw/zinc/54/94/58/569549458.db2.gz TYXRQTNDQPKBMB-NRFANRHFSA-N 0 0 425.282 4.850 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000009584580 569549460 /nfs/dbraw/zinc/54/94/60/569549460.db2.gz IBYHIYOLUIIETH-UHFFFAOYSA-N 0 0 437.304 4.962 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000009586056 569549591 /nfs/dbraw/zinc/54/95/91/569549591.db2.gz XSPDEHQXUDYFDA-MRXNPFEDSA-N 0 0 449.601 4.898 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccc(Cl)cc2)cc1OC ZINC000009591156 569550193 /nfs/dbraw/zinc/55/01/93/569550193.db2.gz SHMBFSHIVQSVIT-UHFFFAOYSA-N 0 0 448.910 4.916 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000009592443 569550300 /nfs/dbraw/zinc/55/03/00/569550300.db2.gz PFWQLIUKMFAEDS-JOCHJYFZSA-N 0 0 427.529 4.661 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C[C@@H]1OC(=O)c3ccccc31)CC2 ZINC000009592785 569550339 /nfs/dbraw/zinc/55/03/39/569550339.db2.gz IQRHBJXJOPTYNK-CYFREDJKSA-N 0 0 449.528 4.541 50 0 IJAARN CCn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1ccco1 ZINC000009593156 569550375 /nfs/dbraw/zinc/55/03/75/569550375.db2.gz BIRFGEWDKYXAOL-UHFFFAOYSA-N 0 0 432.303 4.663 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2F)s1 ZINC000009593444 569550403 /nfs/dbraw/zinc/55/04/03/569550403.db2.gz HDBXLFYSNFYZKJ-SFHVURJKSA-N 0 0 439.443 4.625 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(OC)cc3OC)n2CC(C)C)cc1 ZINC000009594478 569550567 /nfs/dbraw/zinc/55/05/67/569550567.db2.gz ZTTZRNICQFQBFV-UHFFFAOYSA-N 0 0 441.553 4.602 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccco1 ZINC000009594210 569550573 /nfs/dbraw/zinc/55/05/73/569550573.db2.gz FWBDJRCQZWXSME-FQEVSTJZSA-N 0 0 432.476 4.589 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@@H]1c1ccc(C)cc1 ZINC000009597294 569550870 /nfs/dbraw/zinc/55/08/70/569550870.db2.gz SHAXWUJDYFLTFY-HXUWFJFHSA-N 0 0 438.528 4.870 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1ccc(F)cc1 ZINC000009597288 569550905 /nfs/dbraw/zinc/55/09/05/569550905.db2.gz XUVUIFPEDHGUIN-IBGZPJMESA-N 0 0 442.491 4.701 50 0 IJAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1Cl ZINC000009598504 569550985 /nfs/dbraw/zinc/55/09/85/569550985.db2.gz CDBRJEXMOOVSOT-XZOQPEGZSA-N 0 0 432.907 4.824 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1Cl ZINC000009598505 569551018 /nfs/dbraw/zinc/55/10/18/569551018.db2.gz CDBRJEXMOOVSOT-PKTZIBPZSA-N 0 0 432.907 4.824 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1ccccc1 ZINC000009599126 569551150 /nfs/dbraw/zinc/55/11/50/569551150.db2.gz SMRZGAIIQQGCCP-UHFFFAOYSA-N 0 0 435.549 4.707 50 0 IJAARN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000009601337 569551600 /nfs/dbraw/zinc/55/16/00/569551600.db2.gz CKMSKJSSRZUMTO-UHFFFAOYSA-N 0 0 445.614 4.805 50 0 IJAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccc2c(c1)OCO2 ZINC000009601415 569551608 /nfs/dbraw/zinc/55/16/08/569551608.db2.gz LASCAAUXSJFLGS-DEOSSOPVSA-N 0 0 442.581 4.737 50 0 IJAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3C)nc3c(c2=O)SCC3)c1 ZINC000009602731 569551698 /nfs/dbraw/zinc/55/16/98/569551698.db2.gz SDFGHIODAGAORO-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000009602398 569551732 /nfs/dbraw/zinc/55/17/32/569551732.db2.gz NBFKNGVUEVWVOF-MRXNPFEDSA-N 0 0 437.565 4.984 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccc(Cl)cc3)c(C)n2n1 ZINC000009609725 569552436 /nfs/dbraw/zinc/55/24/36/569552436.db2.gz UPWYVQGTJVBUOS-UHFFFAOYSA-N 0 0 448.954 4.924 50 0 IJAARN Cc1nn2c(nc(C)c(CC(=O)NCCc3ccc(Cl)cc3)c2C)c1-c1ccccc1 ZINC000009610246 569552483 /nfs/dbraw/zinc/55/24/83/569552483.db2.gz IEVVTYVDWAZIHX-UHFFFAOYSA-N 0 0 432.955 4.876 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccc(C)cc1 ZINC000009610748 569552578 /nfs/dbraw/zinc/55/25/78/569552578.db2.gz FXJQGNQCUCPOBP-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000009610787 569552640 /nfs/dbraw/zinc/55/26/40/569552640.db2.gz UWRIEQKOFGMNQT-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN Cc1csc(SCc2ccccc2C(=O)OCC(=O)NCc2ccc(C)cc2)n1 ZINC000009622708 569553461 /nfs/dbraw/zinc/55/34/61/569553461.db2.gz FMTMCUBGBJYZQF-UHFFFAOYSA-N 0 0 426.563 4.525 50 0 IJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3nc4c(cccc4C)s3)cs2)cc1 ZINC000009628043 569553573 /nfs/dbraw/zinc/55/35/73/569553573.db2.gz RMADKCPXKNJJOZ-UHFFFAOYSA-N 0 0 438.534 4.503 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1C ZINC000009630747 569553659 /nfs/dbraw/zinc/55/36/59/569553659.db2.gz ACUXITOSKADRKZ-UHFFFAOYSA-N 0 0 430.961 4.975 50 0 IJAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)c1 ZINC000009632133 569553942 /nfs/dbraw/zinc/55/39/42/569553942.db2.gz YRXYEDPUIDCDGY-UHFFFAOYSA-N 0 0 428.941 4.721 50 0 IJAARN Cc1cccc2sc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)nc21 ZINC000009632274 569553962 /nfs/dbraw/zinc/55/39/62/569553962.db2.gz XMDLAFMUFNVRJJ-UHFFFAOYSA-N 0 0 449.985 4.685 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cccnc1Cl ZINC000009632751 569554054 /nfs/dbraw/zinc/55/40/54/569554054.db2.gz RYYYNHOTGOXSEI-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)c(C)c1 ZINC000009632891 569554137 /nfs/dbraw/zinc/55/41/37/569554137.db2.gz PCHRXLSDARAPBP-UHFFFAOYSA-N 0 0 441.556 4.684 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](OC(=O)C[C@@H]2Sc3ccccc3NC2=O)c2ccccc2)cc1 ZINC000009634968 569554538 /nfs/dbraw/zinc/55/45/38/569554538.db2.gz UBIJZMSEFXUDRX-GMAHTHKFSA-N 0 0 446.528 4.721 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)o1 ZINC000009637408 569554786 /nfs/dbraw/zinc/55/47/86/569554786.db2.gz WAQJIJVKNMJCSU-UHFFFAOYSA-N 0 0 447.560 4.762 50 0 IJAARN O=C(CSc1nnnn1C1CCCC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009637119 569554788 /nfs/dbraw/zinc/55/47/88/569554788.db2.gz SKAGXEXYPXKAMD-IBGZPJMESA-N 0 0 437.594 4.761 50 0 IJAARN CSc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)c1 ZINC000009638728 569555041 /nfs/dbraw/zinc/55/50/41/569555041.db2.gz OMALLHDODNNONU-UHFFFAOYSA-N 0 0 436.566 4.685 50 0 IJAARN Cc1ccccc1OCCSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[nH]n21 ZINC000009641345 569555650 /nfs/dbraw/zinc/55/56/50/569555650.db2.gz DLQHQACAUCFMKM-UHFFFAOYSA-N 0 0 434.565 4.862 50 0 IJAARN COc1cccc(CNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)c1 ZINC000009642795 569555890 /nfs/dbraw/zinc/55/58/90/569555890.db2.gz RDRSVEZEDWVACI-UHFFFAOYSA-N 0 0 443.547 4.929 50 0 IJAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000009643084 569555915 /nfs/dbraw/zinc/55/59/15/569555915.db2.gz MVTHAIIPPRFLHE-UHFFFAOYSA-N 0 0 428.444 4.652 50 0 IJAARN CCN(C(=O)CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C1=CCCCC1 ZINC000009644007 569555978 /nfs/dbraw/zinc/55/59/78/569555978.db2.gz ATKLVZUWOWCCMM-MRXNPFEDSA-N 0 0 448.036 4.942 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)c3cc(C)n([C@H](C)COC)c3C)o2)cc1 ZINC000009644185 569556029 /nfs/dbraw/zinc/55/60/29/569556029.db2.gz LSFSKPAJJVOEQP-OAHLLOKOSA-N 0 0 429.542 4.736 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)CSc3nncn3-c3ccccc3F)n2)c1 ZINC000009644571 569556033 /nfs/dbraw/zinc/55/60/33/569556033.db2.gz AHIIABWMOHMYCF-UHFFFAOYSA-N 0 0 439.541 4.878 50 0 IJAARN O=c1c2ncccc2n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(Cl)cc1 ZINC000009660711 569556914 /nfs/dbraw/zinc/55/69/14/569556914.db2.gz DYDLNCOCZFYKCZ-UHFFFAOYSA-N 0 0 446.721 4.615 50 0 IJAARN Cc1cc(NC(=O)c2ccccc2C)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1 ZINC000009661121 569557002 /nfs/dbraw/zinc/55/70/02/569557002.db2.gz QCGSTHVNRYHMKK-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000009662091 569557097 /nfs/dbraw/zinc/55/70/97/569557097.db2.gz FMEZVMGZZMUUTN-UZLBHIALSA-N 0 0 440.569 4.706 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1nc2ccc(F)cc2s1 ZINC000009663618 569557240 /nfs/dbraw/zinc/55/72/40/569557240.db2.gz BSIRSQCQJTVZKW-UHFFFAOYSA-N 0 0 439.541 4.683 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000009665482 569557562 /nfs/dbraw/zinc/55/75/62/569557562.db2.gz RNDHTNNIGNGXCI-UHFFFAOYSA-N 0 0 436.562 4.867 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)n(-c2ccccc2)n1 ZINC000009666326 569557714 /nfs/dbraw/zinc/55/77/14/569557714.db2.gz BBAQNMWONSEEJF-UHFFFAOYSA-N 0 0 440.529 4.646 50 0 IJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000009670183 569558274 /nfs/dbraw/zinc/55/82/74/569558274.db2.gz QBYKWUOPQAYJAQ-GOSISDBHSA-N 0 0 430.533 4.615 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 ZINC000009671257 569558521 /nfs/dbraw/zinc/55/85/21/569558521.db2.gz DXCBMJNCDVERNR-DEOSSOPVSA-N 0 0 429.520 4.688 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 ZINC000009671717 569558589 /nfs/dbraw/zinc/55/85/89/569558589.db2.gz MRHPMZQNXJECHI-SFHVURJKSA-N 0 0 426.567 4.902 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000009673234 569558837 /nfs/dbraw/zinc/55/88/37/569558837.db2.gz VNCJJNANIPHQDN-WOJBJXKFSA-N 0 0 426.925 4.959 50 0 IJAARN O=C(CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009674086 569559049 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/nfs/dbraw/zinc/56/32/27/569563227.db2.gz SHIDEWFJGHAHKO-UHFFFAOYSA-N 0 0 432.520 4.563 50 0 IJAARN O=C(Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1)c1ccco1 ZINC000009724054 569563673 /nfs/dbraw/zinc/56/36/73/569563673.db2.gz HRDLGIUOCAZYQJ-UHFFFAOYSA-N 0 0 433.445 4.636 50 0 IJAARN COc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(OC)cc4c32)c1 ZINC000009725368 569563769 /nfs/dbraw/zinc/56/37/69/569563769.db2.gz INHBECBDQJLMAY-UHFFFAOYSA-N 0 0 438.487 4.907 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc(N2CCCC2)cc1 ZINC000009728541 569564172 /nfs/dbraw/zinc/56/41/72/569564172.db2.gz DGZVDMNDQIWWCE-UHFFFAOYSA-N 0 0 437.544 4.750 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000009730610 569564472 /nfs/dbraw/zinc/56/44/72/569564472.db2.gz UQGWBEHXEGSFQR-GOSISDBHSA-N 0 0 438.549 4.835 50 0 IJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc(C(F)(F)F)c3)co2)n1 ZINC000009739697 569565081 /nfs/dbraw/zinc/56/50/81/569565081.db2.gz JXGCRKDYITUVCD-UHFFFAOYSA-N 0 0 427.425 4.935 50 0 IJAARN CCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)NCc1ccccc1Cl ZINC000009751809 569566098 /nfs/dbraw/zinc/56/60/98/569566098.db2.gz FKQYPMUTEYPKOZ-UHFFFAOYSA-N 0 0 441.940 4.615 50 0 IJAARN O=C(CSc1nc2c3ccccc3oc2c(=O)n1C1CCCC1)NCc1ccccc1 ZINC000009752593 569566135 /nfs/dbraw/zinc/56/61/35/569566135.db2.gz USUSHQGUAYOWPR-UHFFFAOYSA-N 0 0 433.533 4.666 50 0 IJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000009766235 569566824 /nfs/dbraw/zinc/56/68/24/569566824.db2.gz RCFGBOICNBTJNH-UHFFFAOYSA-N 0 0 448.548 4.579 50 0 IJAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009780720 569567479 /nfs/dbraw/zinc/56/74/79/569567479.db2.gz RADQNWQXFCYSIM-OAHLLOKOSA-N 0 0 443.937 4.749 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c1C ZINC000009783012 569567808 /nfs/dbraw/zinc/56/78/08/569567808.db2.gz CHGASPRXLQSRNZ-UHFFFAOYSA-N 0 0 430.460 4.990 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000009783799 569567899 /nfs/dbraw/zinc/56/78/99/569567899.db2.gz LIAGETHUGWPRMK-GOSISDBHSA-N 0 0 432.549 4.994 50 0 IJAARN Nc1nc(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc(Nc2ccccc2)n1 ZINC000009788849 569568012 /nfs/dbraw/zinc/56/80/12/569568012.db2.gz VACMIYCLYKQYQP-UHFFFAOYSA-N 0 0 448.556 4.846 50 0 IJAARN CC(C)CNc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000009789260 569568046 /nfs/dbraw/zinc/56/80/46/569568046.db2.gz JHYNCGAZONORBA-UHFFFAOYSA-N 0 0 434.587 4.768 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(NCc4ccco4)s3)n2)cc1 ZINC000009789332 569568094 /nfs/dbraw/zinc/56/80/94/569568094.db2.gz OYOTVTZKUKBWOO-UHFFFAOYSA-N 0 0 443.579 4.906 50 0 IJAARN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cc2ccccc2o1 ZINC000009789377 569568131 /nfs/dbraw/zinc/56/81/31/569568131.db2.gz UVSVUXKFRXHLSW-KRWDZBQOSA-N 0 0 446.528 4.675 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000009795558 569568418 /nfs/dbraw/zinc/56/84/18/569568418.db2.gz QHHGJYCDYIWXSW-UHFFFAOYSA-N 0 0 446.601 4.597 50 0 IJAARN C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1ccc(F)c(F)c1F ZINC000009816741 569569259 /nfs/dbraw/zinc/56/92/59/569569259.db2.gz NUDQTVLAZHMYEB-JTQLQIEISA-N 0 0 433.407 4.909 50 0 IJAARN Cc1nnc2ccc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c3)nn12 ZINC000009829195 569569945 /nfs/dbraw/zinc/56/99/45/569569945.db2.gz NLXPVWQMIJTQDP-GFCCVEGCSA-N 0 0 442.306 4.813 50 0 IJAARN CCn1c(SCC(=O)N[C@H](c2cccs2)c2ccccc2)nnc1-c1ccoc1C ZINC000009835451 569570664 /nfs/dbraw/zinc/57/06/64/569570664.db2.gz HTONVLUIAJGTDK-FQEVSTJZSA-N 0 0 438.578 4.926 50 0 IJAARN O=C(Nc1cc2c(cc1[C@@H](O)c1ccccc1)OCCO2)c1cccc(Br)c1 ZINC000009846180 569571000 /nfs/dbraw/zinc/57/10/00/569571000.db2.gz MZWPSSSMGVIILG-NRFANRHFSA-N 0 0 440.293 4.554 50 0 IJAARN CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)c3ccco3)n2)cc1 ZINC000009847135 569571105 /nfs/dbraw/zinc/57/11/05/569571105.db2.gz UHVLOWWCOXTXBF-UHFFFAOYSA-N 0 0 429.524 4.909 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)sc2c1 ZINC000009848067 569571173 /nfs/dbraw/zinc/57/11/73/569571173.db2.gz LAFZSTWVBKDJFU-MRXNPFEDSA-N 0 0 429.973 4.881 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)cc1 ZINC000009858356 569571744 /nfs/dbraw/zinc/57/17/44/569571744.db2.gz WFSWGKNIBZGMBE-UHFFFAOYSA-N 0 0 445.592 4.798 50 0 IJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000009937569 569573780 /nfs/dbraw/zinc/57/37/80/569573780.db2.gz KTNZOAPIMOZUEJ-UHFFFAOYSA-N 0 0 434.561 4.895 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1cccc(Cl)c1 ZINC000009940606 569573950 /nfs/dbraw/zinc/57/39/50/569573950.db2.gz BRKUQHHSEMNOTF-UHFFFAOYSA-N 0 0 431.308 4.653 50 0 IJAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000009949298 569574287 /nfs/dbraw/zinc/57/42/87/569574287.db2.gz OLZYPJCLSPJQSS-UHFFFAOYSA-N 0 0 432.505 4.824 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009950133 569574322 /nfs/dbraw/zinc/57/43/22/569574322.db2.gz IMYXJEUWBVWJEO-RBBKRZOGSA-N 0 0 447.608 4.519 50 0 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/nfs/dbraw/zinc/57/48/89/569574889.db2.gz JOQBNZWKQOFLIC-UHFFFAOYSA-N 0 0 430.416 4.675 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)c1 ZINC000009958790 569574941 /nfs/dbraw/zinc/57/49/41/569574941.db2.gz KUAXPYAXTAGEHX-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000009959307 569575122 /nfs/dbraw/zinc/57/51/22/569575122.db2.gz FCWPREFNYKLNJE-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c32)cc1OC ZINC000071328135 569575458 /nfs/dbraw/zinc/57/54/58/569575458.db2.gz BTMTUMYYSHXXTE-UHFFFAOYSA-N 0 0 434.521 4.681 50 0 IJAARN O=c1c2ccc(Cl)cc2nc(SCCOc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000009962317 569575642 /nfs/dbraw/zinc/57/56/42/569575642.db2.gz QAEATRBMWHOZNL-KRWDZBQOSA-N 0 0 434.920 4.539 50 0 IJAARN Cc1sc2nc([C@H](C)OC(=O)c3ncc(Cl)c(Cl)c3Cl)[nH]c(=O)c2c1C ZINC000009963044 569575719 /nfs/dbraw/zinc/57/57/19/569575719.db2.gz ZXNBLPJNRHAZOL-LURJTMIESA-N 0 0 432.716 4.875 50 0 IJAARN Cc1sc2nc([C@@H](C)OC(=O)c3ncc(Cl)c(Cl)c3Cl)[nH]c(=O)c2c1C ZINC000009963043 569575743 /nfs/dbraw/zinc/57/57/43/569575743.db2.gz ZXNBLPJNRHAZOL-ZCFIWIBFSA-N 0 0 432.716 4.875 50 0 IJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccsc32)c1 ZINC000009970963 569576220 /nfs/dbraw/zinc/57/62/20/569576220.db2.gz QQNWLSIDOHGFON-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)cc1C ZINC000009971132 569576266 /nfs/dbraw/zinc/57/62/66/569576266.db2.gz IKUGUJOGSMALQQ-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN CCOc1ccccc1OCCC(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000009985930 569576697 /nfs/dbraw/zinc/57/66/97/569576697.db2.gz ZFEDWDMOEQDLBQ-UHFFFAOYSA-N 0 0 426.296 4.651 50 0 IJAARN C[C@@H](Sc1nnc(-c2cc(Cl)ccc2Cl)n1N)c1nnc(-c2cccs2)o1 ZINC000009990612 569576880 /nfs/dbraw/zinc/57/68/80/569576880.db2.gz SJWBWXQDKYAQOE-MRVPVSSYSA-N 0 0 439.353 4.931 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000010007623 569577017 /nfs/dbraw/zinc/57/70/17/569577017.db2.gz YHYFAKHYMKZCQN-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1C[C@H]1CCCO1 ZINC000010145498 569578135 /nfs/dbraw/zinc/57/81/35/569578135.db2.gz UEXAAPKUBJPTRD-MRXNPFEDSA-N 0 0 431.355 4.630 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 ZINC000010142295 569578148 /nfs/dbraw/zinc/57/81/48/569578148.db2.gz WKBIVKLSHWYQNX-UHFFFAOYSA-N 0 0 448.013 4.977 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)cc1 ZINC000010187538 569578573 /nfs/dbraw/zinc/57/85/73/569578573.db2.gz CRBGGMSFZNKPBZ-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccccc3)sc2c1 ZINC000010187516 569578599 /nfs/dbraw/zinc/57/85/99/569578599.db2.gz KWYPIOGIPVPACI-UHFFFAOYSA-N 0 0 436.558 4.612 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(S(C)(=O)=O)cc3)nc21 ZINC000010187496 569578608 /nfs/dbraw/zinc/57/86/08/569578608.db2.gz VNFHKLDQHONJKS-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN CCc1cccc2sc(N(Cc3ccccn3)C(=O)[C@H]3COc4ccccc4O3)nc21 ZINC000010187562 569578609 /nfs/dbraw/zinc/57/86/09/569578609.db2.gz BWQLDRLKUGEXQX-HXUWFJFHSA-N 0 0 431.517 4.627 50 0 IJAARN Cc1ccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3COc4ccccc4O3)nc2c1C ZINC000010187704 569578668 /nfs/dbraw/zinc/57/86/68/569578668.db2.gz SQGKORPIQITOEY-FQEVSTJZSA-N 0 0 431.517 4.681 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OCC)cc3)=NN12 ZINC000010213842 569579084 /nfs/dbraw/zinc/57/90/84/569579084.db2.gz IMVXKIBQRYSSAW-QFIPXVFZSA-N 0 0 435.524 4.577 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000010233015 569579339 /nfs/dbraw/zinc/57/93/39/569579339.db2.gz ZXMBUQSIMLGMPT-HXUWFJFHSA-N 0 0 436.851 4.810 50 0 IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000010253108 569579895 /nfs/dbraw/zinc/57/98/95/569579895.db2.gz NAJPFYNEKDQACA-UHFFFAOYSA-N 0 0 436.558 4.938 50 0 IJAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000010252652 569579896 /nfs/dbraw/zinc/57/98/96/569579896.db2.gz HXGAKYLOGFLIEO-UHFFFAOYSA-N 0 0 441.361 4.702 50 0 IJAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 ZINC000010253386 569579961 /nfs/dbraw/zinc/57/99/61/569579961.db2.gz FHXGQDROGPUNFD-UHFFFAOYSA-N 0 0 426.972 4.959 50 0 IJAARN COc1cc(CN(C(=O)NCCSCc2ccccc2)C2CC2)ccc1OC(F)F ZINC000010276661 569580420 /nfs/dbraw/zinc/58/04/20/569580420.db2.gz OSIPOFAABUSJKR-UHFFFAOYSA-N 0 0 436.524 4.904 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000010291426 569580553 /nfs/dbraw/zinc/58/05/53/569580553.db2.gz FWPVDGSRDYAQNC-LJQANCHMSA-N 0 0 441.509 4.637 50 0 IJAARN COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000010302252 569580631 /nfs/dbraw/zinc/58/06/31/569580631.db2.gz IQADRWUNVXPCJN-UHFFFAOYSA-N 0 0 436.943 4.753 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(Cl)ccc4C)ccc32)cc1 ZINC000010327694 569581042 /nfs/dbraw/zinc/58/10/42/569581042.db2.gz MKILPYGZQOOFFR-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)n2)cc1 ZINC000010390030 569581798 /nfs/dbraw/zinc/58/17/98/569581798.db2.gz XUPRQWHKFPQNJJ-UHFFFAOYSA-N 0 0 435.553 4.597 50 0 IJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccco3)C2)cc1 ZINC000010435169 569582182 /nfs/dbraw/zinc/58/21/82/569582182.db2.gz UWJNOVZMJRCKOY-HSZRJFAPSA-N 0 0 426.476 4.839 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000010441591 569582185 /nfs/dbraw/zinc/58/21/85/569582185.db2.gz VIGYTNYDMRBFFF-MRXNPFEDSA-N 0 0 443.519 4.547 50 0 IJAARN COc1ccc2cc(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)c(C)nc2c1 ZINC000010445122 569582262 /nfs/dbraw/zinc/58/22/62/569582262.db2.gz OXMYYZDSAUOSBZ-UHFFFAOYSA-N 0 0 435.505 4.945 50 0 IJAARN O=C(Nc1nnc2ccccn21)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000030691138 569583898 /nfs/dbraw/zinc/58/38/98/569583898.db2.gz PXJSTALSTPUDAT-UHFFFAOYSA-N 0 0 426.263 4.541 50 0 IJAARN CCOc1ccc(NC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000077191126 569585887 /nfs/dbraw/zinc/58/58/87/569585887.db2.gz SYHZYKSEMYAIAG-UHFFFAOYSA-N 0 0 432.402 4.785 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3nnn(-c4ccccc4)c3-c3ccccn3)sc2c1 ZINC000077199865 569586294 /nfs/dbraw/zinc/58/62/94/569586294.db2.gz DFVJVPUHFGPUBU-UHFFFAOYSA-N 0 0 442.504 4.590 50 0 IJAARN O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)Nc1ccc(F)c(F)c1 ZINC000020864076 569587154 /nfs/dbraw/zinc/58/71/54/569587154.db2.gz ZKRKKYXPFNRHFZ-UHFFFAOYSA-N 0 0 440.475 4.685 50 0 IJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N[C@@H]3C[C@@H]3c3ccccc3)c2)cc1OC ZINC000023458380 569587259 /nfs/dbraw/zinc/58/72/59/569587259.db2.gz LGPOIEYBAVGINL-DHIUTWEWSA-N 0 0 439.515 4.842 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nc1)c1ccccc1 ZINC000034681012 569587562 /nfs/dbraw/zinc/58/75/62/569587562.db2.gz CEHYRILDNDCSNR-NRFANRHFSA-N 0 0 448.592 4.628 50 0 IJAARN Cc1sc(C2=C(N)N(CC3CCCCC3)CC2=O)nc1-c1ccc(Br)cc1 ZINC000034784682 569587624 /nfs/dbraw/zinc/58/76/24/569587624.db2.gz QKWQBEAIZNTRLR-UHFFFAOYSA-N 0 0 446.414 4.973 50 0 IJAARN CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc4ccccc43)oc2c1 ZINC000000651800 193872462 /nfs/dbraw/zinc/87/24/62/193872462.db2.gz DOUADHLZYXSGOP-SGEDCAFJSA-N 0 0 427.504 4.941 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000000656990 193875082 /nfs/dbraw/zinc/87/50/82/193875082.db2.gz ZQQMVCBETHMGQY-UHFFFAOYSA-N 0 0 448.466 4.535 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3cccc(S(=O)(=O)N(C)C)c3)c2n1 ZINC000006143068 193882703 /nfs/dbraw/zinc/88/27/03/193882703.db2.gz KTVZFGHHIXZASJ-UHFFFAOYSA-N 0 0 425.337 4.679 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c2ccccc2S1 ZINC000009835090 193901247 /nfs/dbraw/zinc/90/12/47/193901247.db2.gz CLZWPFXBVJCYCX-OAHLLOKOSA-N 0 0 437.594 4.685 50 0 IJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc(C)cc2Cl)CC1 ZINC000009835329 193901695 /nfs/dbraw/zinc/90/16/95/193901695.db2.gz AZWWSFXMPYOTJK-NRFANRHFSA-N 0 0 427.932 4.836 50 0 IJAARN O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000000652203 132228618 /nfs/dbraw/zinc/22/86/18/132228618.db2.gz GDQNAKJMZOZPJV-UHFFFAOYSA-N 0 0 428.157 4.647 50 0 IJAARN CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 ZINC000000717230 132229848 /nfs/dbraw/zinc/22/98/48/132229848.db2.gz QTQXCUKSGDAYPY-UHFFFAOYSA-N 0 0 449.503 4.530 50 0 IJAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000009599630 132236471 /nfs/dbraw/zinc/23/64/71/132236471.db2.gz BCYSTYKTIILZSO-UHFFFAOYSA-N 0 0 448.588 4.879 50 0 IJAARN COc1ccccc1N1C(=S)N[C@H](c2cccc(C)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010355083 132246999 /nfs/dbraw/zinc/24/69/99/132246999.db2.gz PKODQAWUDXBEBS-JOCHJYFZSA-N 0 0 448.548 4.649 50 0 IJAARN CCCCN(CCCC)C(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3 ZINC000002221515 132249181 /nfs/dbraw/zinc/24/91/81/132249181.db2.gz HGDPQONFDLAIJD-UHFFFAOYSA-N 0 0 444.645 4.636 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000002384972 132253542 /nfs/dbraw/zinc/25/35/42/132253542.db2.gz ZLRFSVVXTVXQKU-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)c1 ZINC000002924457 132258868 /nfs/dbraw/zinc/25/88/68/132258868.db2.gz IWEYAQRDJYZKOP-ZDUSSCGKSA-N 0 0 440.569 4.956 50 0 IJAARN Clc1ccc(-c2nnc3c4ccccc4nc(N4CCN(c5ccccc5)CC4)n23)cc1 ZINC000003063785 132261675 /nfs/dbraw/zinc/26/16/75/132261675.db2.gz NSLHFSLBMBVMGM-UHFFFAOYSA-N 0 0 440.938 4.925 50 0 IJAARN Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000003203403 132262217 /nfs/dbraw/zinc/26/22/17/132262217.db2.gz BXLOOVWTMIQVEQ-UHFFFAOYSA-N 0 0 430.529 4.620 50 0 IJAARN Cc1csc(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)n1 ZINC000003427059 132265264 /nfs/dbraw/zinc/26/52/64/132265264.db2.gz VZTYJLHNCMFPDO-UHFFFAOYSA-N 0 0 427.570 4.845 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2)CC1 ZINC000004121146 132270159 /nfs/dbraw/zinc/27/01/59/132270159.db2.gz RONIRWTXPXKLSM-UHFFFAOYSA-N 0 0 437.584 4.585 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000004759807 132273597 /nfs/dbraw/zinc/27/35/97/132273597.db2.gz RFLYDQWSMYWGPM-UHFFFAOYSA-N 0 0 427.548 4.516 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000005145743 132275120 /nfs/dbraw/zinc/27/51/20/132275120.db2.gz XVCCNEHFVAWPQY-RHSMWYFYSA-N 0 0 426.561 4.895 50 0 IJAARN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000008443160 132282122 /nfs/dbraw/zinc/28/21/22/132282122.db2.gz HVOPBSHRQXQJNP-UHFFFAOYSA-N 0 0 443.547 4.690 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000008583829 132282561 /nfs/dbraw/zinc/28/25/61/132282561.db2.gz RZQSQKLUDDNWBZ-UHFFFAOYSA-N 0 0 443.478 4.787 50 0 IJAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)c1C ZINC000008602501 132286708 /nfs/dbraw/zinc/28/67/08/132286708.db2.gz RRCZQFFUBCXLRF-UHFFFAOYSA-N 0 0 437.609 4.565 50 0 aggregator IJAARN O=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000008608646 132287596 /nfs/dbraw/zinc/28/75/96/132287596.db2.gz SWKGCKVVHMSMLS-UHFFFAOYSA-N 0 0 432.954 4.795 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000008965692 132298987 /nfs/dbraw/zinc/29/89/87/132298987.db2.gz XJYRHDUOUGBBLI-HXUWFJFHSA-N 0 0 429.501 4.996 50 0 IJAARN Cc1cc(C)c(NC(=O)CCCN2c3ncccc3O[C@@H](c3ccccc3)C2=O)c(C)c1 ZINC000009114919 132303359 /nfs/dbraw/zinc/30/33/59/132303359.db2.gz BHHKXFYKFXBXQD-DEOSSOPVSA-N 0 0 429.520 4.892 50 0 IJAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1Cl ZINC000009119949 132304753 /nfs/dbraw/zinc/30/47/53/132304753.db2.gz AEDGXPMEBKYTDP-UHFFFAOYSA-N 0 0 439.924 4.910 50 0 IJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2cccs2)cc1 ZINC000009125629 132305206 /nfs/dbraw/zinc/30/52/06/132305206.db2.gz NBLUEIZKDZHCFX-VQIMIIECSA-N 0 0 438.578 4.908 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)c1 ZINC000009157886 132307245 /nfs/dbraw/zinc/30/72/45/132307245.db2.gz YDYFUHRQPFKJAW-UHFFFAOYSA-N 0 0 438.553 4.678 50 0 IJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OCC(=O)N2CCCC2)cc1 ZINC000009208546 132308628 /nfs/dbraw/zinc/30/86/28/132308628.db2.gz XZGROXNKTUOUDE-AREMUKBSSA-N 0 0 441.531 4.767 50 0 IJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009220760 132309446 /nfs/dbraw/zinc/30/94/46/132309446.db2.gz FDPKBXLOSNRFIX-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009223473 132309694 /nfs/dbraw/zinc/30/96/94/132309694.db2.gz FXJJBJHUZMXRJW-SFHVURJKSA-N 0 0 436.924 4.870 50 0 IJAARN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4c(F)cccc4Cl)CC3)CC2)c1C ZINC000009246621 132310606 /nfs/dbraw/zinc/31/06/06/132310606.db2.gz HADUTZFBMCIRCM-UHFFFAOYSA-N 0 0 443.994 4.657 50 0 IJAARN C[C@H]1CN(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c2cc(Cl)ccc2O1 ZINC000009405827 132315035 /nfs/dbraw/zinc/31/50/35/132315035.db2.gz UHQHCFIDSXZREA-AWEZNQCLSA-N 0 0 431.895 4.537 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)cc(Nc3ccc(C)cc3)n2)CC1)c1ccccc1 ZINC000009573245 132321979 /nfs/dbraw/zinc/32/19/79/132321979.db2.gz PJYMGCJCCNVDNN-HSZRJFAPSA-N 0 0 429.568 4.679 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000009594588 132322633 /nfs/dbraw/zinc/32/26/33/132322633.db2.gz USGFGFYSVKKLGS-IRXDYDNUSA-N 0 0 436.581 4.537 50 0 IJAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000009634526 132324120 /nfs/dbraw/zinc/32/41/20/132324120.db2.gz INUDRSCVOYJXHG-UHFFFAOYSA-N 0 0 448.363 4.578 50 0 IJAARN Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4SC[C@@H]3c3ccccc3)nc2n1 ZINC000009646375 132324784 /nfs/dbraw/zinc/32/47/84/132324784.db2.gz UJGIMJDQMLGCNC-LJQANCHMSA-N 0 0 447.589 4.713 50 0 IJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1)c1cc(Br)ccc1O2 ZINC000009937204 132332206 /nfs/dbraw/zinc/33/22/06/132332206.db2.gz AIJYBEKAHPPDPE-RHSMWYFYSA-N 0 0 438.119 4.981 50 0 IJAARN O=C(COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1)N1CCCC1 ZINC000009951325 132332673 /nfs/dbraw/zinc/33/26/73/132332673.db2.gz YCQCSDOCZSDDGG-VWLOTQADSA-N 0 0 445.494 4.598 50 0 IJAARN O=C(CSc1ccc2ccccc2n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010962459 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CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C=Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC000012788120 519630980 /nfs/dbraw/zinc/63/09/80/519630980.db2.gz BCGSVZRGYXTCCP-GBVBUYCNSA-N 0 0 432.303 4.730 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021863423 519653318 /nfs/dbraw/zinc/65/33/18/519653318.db2.gz BCZDAJZTKGWHFC-ZPHNUYGRSA-N 0 0 425.573 4.704 50 0 IJAARN CC(=O)Nc1cc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C)ccc1C ZINC000021653018 519703797 /nfs/dbraw/zinc/70/37/97/519703797.db2.gz RDWDOJANFDXTNT-UHFFFAOYSA-N 0 0 431.517 4.947 50 0 IJAARN CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000024689656 519707828 /nfs/dbraw/zinc/70/78/28/519707828.db2.gz UFUXBABVCPMZFO-UHFFFAOYSA-N 0 0 438.593 4.757 50 0 IJAARN CC(C)CN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)NC(C)C ZINC000035978048 519717990 /nfs/dbraw/zinc/71/79/90/519717990.db2.gz SMDWARUSVYIVBE-UHFFFAOYSA-N 0 0 425.499 4.533 50 0 IJAARN CC(C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000036003179 519718369 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4.949 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000035561958 519779454 /nfs/dbraw/zinc/77/94/54/519779454.db2.gz NEPJDCLOHISRTB-IBGZPJMESA-N 0 0 447.579 4.760 50 0 IJAARN CC(C)[C@@H](NC(=O)CSCc1nnc(C(=O)Nc2ccccc2)s1)c1cccs1 ZINC000032987224 519797170 /nfs/dbraw/zinc/79/71/70/519797170.db2.gz GPHCDNMYPBHHPV-GOSISDBHSA-N 0 0 446.623 4.599 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012748762 519798249 /nfs/dbraw/zinc/79/82/49/519798249.db2.gz WGZTVIKAPINYNE-HSZRJFAPSA-N 0 0 435.955 4.892 50 0 IJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)N2C1=O ZINC000021936043 519806459 /nfs/dbraw/zinc/80/64/59/519806459.db2.gz JNBSQYCIQZLEQW-ACJLOTCBSA-N 0 0 440.956 4.715 50 0 IJAARN CC(C)c1cc(CN2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)[nH]n1 ZINC000012314180 519832943 /nfs/dbraw/zinc/83/29/43/519832943.db2.gz OZIZBYUBGDTYTJ-UHFFFAOYSA-N 0 0 432.568 4.507 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)C2=O ZINC000021852219 519833747 /nfs/dbraw/zinc/83/37/47/519833747.db2.gz RYFZQSNVDFJNHM-QHCPKHFHSA-N 0 0 428.964 4.528 50 0 IJAARN CC(C)c1ccc(N(Cc2cccc(Cl)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000020867375 519836681 /nfs/dbraw/zinc/83/66/81/519836681.db2.gz VXXNGHGTNBIYHR-PMACEKPBSA-N 0 0 435.014 4.738 50 0 IJAARN CCOCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O ZINC000012904956 519901351 /nfs/dbraw/zinc/90/13/51/519901351.db2.gz FTKOTPJNVWOMRC-CQSZACIVSA-N 0 0 436.603 4.861 50 0 IJAARN CCN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042346 520201686 /nfs/dbraw/zinc/20/16/86/520201686.db2.gz VQNHRWGKYLQTSE-RTBURBONSA-N 0 0 438.877 4.693 50 0 IJAARN CCCCCNC(=S)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2C ZINC000012323997 520224686 /nfs/dbraw/zinc/22/46/86/520224686.db2.gz QGQYCPILMBYOND-UHFFFAOYSA-N 0 0 428.631 4.749 50 0 IJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1I ZINC000033292561 520226841 /nfs/dbraw/zinc/22/68/41/520226841.db2.gz DHOGOSSKWVMKCX-UHFFFAOYSA-N 0 0 447.276 4.853 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1OCC ZINC000012254047 520294095 /nfs/dbraw/zinc/29/40/95/520294095.db2.gz UWQDBCCWJPSQFG-FQEVSTJZSA-N 0 0 449.906 4.843 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023124726 520353924 /nfs/dbraw/zinc/35/39/24/520353924.db2.gz XENQWLBRYFBIGS-UHFFFAOYSA-N 0 0 436.943 4.812 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccc(C)cc1 ZINC000036046043 520373148 /nfs/dbraw/zinc/37/31/48/520373148.db2.gz ZNVPSWGISHBOEZ-UHFFFAOYSA-N 0 0 438.531 4.949 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 ZINC000023793231 520561860 /nfs/dbraw/zinc/56/18/60/520561860.db2.gz HVHATCMGZKXVPV-UHFFFAOYSA-N 0 0 438.959 4.936 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)c2O1 ZINC000012645540 520582187 /nfs/dbraw/zinc/58/21/87/520582187.db2.gz IYXBLWXDBPGKBQ-QFIPXVFZSA-N 0 0 441.531 4.755 50 0 IJAARN CCOc1cc(/C=C2/c3ccccc3C(=O)N(Cc3ccc(OC)cc3)C2=O)ccc1OC ZINC000018211870 520626544 /nfs/dbraw/zinc/62/65/44/520626544.db2.gz WCHPTRUKIMOVSM-HAHDFKILSA-N 0 0 443.499 4.826 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035867291 520634933 /nfs/dbraw/zinc/63/49/33/520634933.db2.gz DOSCPZFOEYEYNG-IAGOWNOFSA-N 0 0 443.661 4.961 50 0 IJAARN CCOc1cc(Br)c(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000012821767 520649806 /nfs/dbraw/zinc/64/98/06/520649806.db2.gz BPZDYJBPFYPWCT-UHFFFAOYSA-N 0 0 436.390 4.874 50 0 IJAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O ZINC000021523873 520785273 /nfs/dbraw/zinc/78/52/73/520785273.db2.gz XVBMYWYDKJXMHZ-HXUWFJFHSA-N 0 0 429.929 4.713 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)c2ccsc2)c1 ZINC000022423302 520807722 /nfs/dbraw/zinc/80/77/22/520807722.db2.gz VOKQDBRBCXXHCN-UHFFFAOYSA-N 0 0 430.551 4.823 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)Cc2ccsc2)c1 ZINC000012790085 520807995 /nfs/dbraw/zinc/80/79/95/520807995.db2.gz VTQFIQMGBFRPPF-UHFFFAOYSA-N 0 0 444.578 4.752 50 0 IJAARN CCCCOc1ccc(CN2CCN(CC(=O)NC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000022751997 520876069 /nfs/dbraw/zinc/87/60/69/520876069.db2.gz QQXKCXGATGADRQ-UHFFFAOYSA-N 0 0 443.676 4.704 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)o2)cc1 ZINC000012556312 520878782 /nfs/dbraw/zinc/87/87/82/520878782.db2.gz XDILZSYTHUFSAS-ZDUSSCGKSA-N 0 0 431.949 4.751 50 0 IJAARN CCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022293833 520885720 /nfs/dbraw/zinc/88/57/20/520885720.db2.gz JEOPSVRQWKSYSC-IRXDYDNUSA-N 0 0 429.586 4.621 50 0 IJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(C)C ZINC000069534028 520891682 /nfs/dbraw/zinc/89/16/82/520891682.db2.gz WZWBAMJBQWMMIE-UHFFFAOYSA-N 0 0 434.577 4.639 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1 ZINC000012237553 520919507 /nfs/dbraw/zinc/91/95/07/520919507.db2.gz NLWQDXXZGZYPPI-UHFFFAOYSA-N 0 0 436.475 4.504 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 ZINC000035429569 520919816 /nfs/dbraw/zinc/91/98/16/520919816.db2.gz PBPCCWIQDVSJED-UHFFFAOYSA-N 0 0 435.505 4.539 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000020514919 520952698 /nfs/dbraw/zinc/95/26/98/520952698.db2.gz FVEKRNXETMWCOZ-LJAQVGFWSA-N 0 0 431.941 4.612 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000020514625 520953124 /nfs/dbraw/zinc/95/31/24/520953124.db2.gz DNTJWIFZAQTLLU-LJAQVGFWSA-N 0 0 431.941 4.612 50 0 IJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858697 520967251 /nfs/dbraw/zinc/96/72/51/520967251.db2.gz FBXVRTWHZZEVEW-MHZLTWQESA-N 0 0 447.579 4.617 50 0 IJAARN CCC[C@H](C(=O)OCC)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)CC(C)C ZINC000035844950 520991553 /nfs/dbraw/zinc/99/15/53/520991553.db2.gz ZHINIGKGIQUHKB-HSZRJFAPSA-N 0 0 446.563 4.637 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000021105430 521040979 /nfs/dbraw/zinc/04/09/79/521040979.db2.gz CDFFYKHHGYGVDE-JOCHJYFZSA-N 0 0 439.899 4.922 50 0 IJAARN CCC(=O)N(c1nnc(SCCCc2nc(-c3ccc(Cl)cc3)no2)s1)C1CC1 ZINC000010109469 521090820 /nfs/dbraw/zinc/09/08/20/521090820.db2.gz UNCZYWLSWDMIBR-UHFFFAOYSA-N 0 0 449.989 4.872 50 0 IJAARN CCOc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000015865471 521101249 /nfs/dbraw/zinc/10/12/49/521101249.db2.gz OYZIABXUUBGWCZ-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000012629003 521109470 /nfs/dbraw/zinc/10/94/70/521109470.db2.gz BRFLCXLJSXHXFJ-AWEZNQCLSA-N 0 0 442.566 4.617 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000009192640 521123719 /nfs/dbraw/zinc/12/37/19/521123719.db2.gz LIAAUUJRBIDDHU-UHFFFAOYSA-N 0 0 443.547 4.577 50 0 IJAARN CCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892594 521124112 /nfs/dbraw/zinc/12/41/12/521124112.db2.gz CYCCKXILGAHEKV-UHFFFAOYSA-N 0 0 434.609 4.610 50 0 IJAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000011867386 521134844 /nfs/dbraw/zinc/13/48/44/521134844.db2.gz XIGKVZCRLXIALM-INIZCTEOSA-N 0 0 435.904 4.534 50 0 IJAARN CCOc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308023 521139578 /nfs/dbraw/zinc/13/95/78/521139578.db2.gz CLXZXOWRNFTBSF-HXUWFJFHSA-N 0 0 430.512 4.549 50 0 IJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc32)c2ccccc12 ZINC000001074503 521201047 /nfs/dbraw/zinc/20/10/47/521201047.db2.gz VTHAIQYYBMVLEX-UHFFFAOYSA-N 0 0 426.513 4.688 50 0 IJAARN CCOc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000012919893 521226400 /nfs/dbraw/zinc/22/64/00/521226400.db2.gz KGKYDFMNBZKNLS-MRXNPFEDSA-N 0 0 438.597 4.584 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1OC ZINC000021530623 521262801 /nfs/dbraw/zinc/26/28/01/521262801.db2.gz UHAQXSSCSPJQIS-QFIPXVFZSA-N 0 0 448.494 4.959 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(F)c2)C1 ZINC000035891867 521289536 /nfs/dbraw/zinc/28/95/36/521289536.db2.gz HSKFHMQOWFAEHK-UGKGYDQZSA-N 0 0 436.527 4.641 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccccc4)CC2)n1)CCCC3 ZINC000035864942 521313081 /nfs/dbraw/zinc/31/30/81/521313081.db2.gz DQZMTTGDCUGSOT-UHFFFAOYSA-N 0 0 434.609 4.875 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nccn1-c1ccc(Cl)cc1 ZINC000012629445 521325178 /nfs/dbraw/zinc/32/51/78/521325178.db2.gz YGYBRRYZABLDFM-UHFFFAOYSA-N 0 0 445.972 4.684 50 0 IJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000012753926 521330192 /nfs/dbraw/zinc/33/01/92/521330192.db2.gz BTIANDUTWODCHB-UHFFFAOYSA-N 0 0 443.503 4.545 50 0 IJAARN CCCCc1noc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)n1 ZINC000012887111 521353265 /nfs/dbraw/zinc/35/32/65/521353265.db2.gz YEHBYMOWQLNFHQ-ZDUSSCGKSA-N 0 0 436.965 4.665 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000012377626 521371284 /nfs/dbraw/zinc/37/12/84/521371284.db2.gz DRTBBSPCPCHOIM-IAGOWNOFSA-N 0 0 444.597 4.763 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000012625232 521371448 /nfs/dbraw/zinc/37/14/48/521371448.db2.gz GJFRGKIRGOOJGG-HDICACEKSA-N 0 0 444.597 4.646 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)c2ccc(OC)cc2)c1C ZINC000021152504 521383983 /nfs/dbraw/zinc/38/39/83/521383983.db2.gz PAAJOJDBWOLVTA-UHFFFAOYSA-N 0 0 434.536 4.968 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(C)cc2)c1C ZINC000015862532 521384119 /nfs/dbraw/zinc/38/41/19/521384119.db2.gz FVHDYONHQSDZQQ-UHFFFAOYSA-N 0 0 448.519 4.688 50 0 IJAARN CCCc1cc2c(s1)N[C@@H](c1cc(OC)c(OCC)cc1Br)NC2=O ZINC000017094328 521386650 /nfs/dbraw/zinc/38/66/50/521386650.db2.gz QMBUIXIQUIKSEC-INIZCTEOSA-N 0 0 425.348 4.725 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000035527859 521407516 /nfs/dbraw/zinc/40/75/16/521407516.db2.gz GFQALWGZFUARGR-LJQANCHMSA-N 0 0 431.945 4.868 50 0 IJAARN CCOC(=O)c1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000012413861 521409483 /nfs/dbraw/zinc/40/94/83/521409483.db2.gz SAXXZXDOGDCOQK-UHFFFAOYSA-N 0 0 440.609 4.697 50 0 IJAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(OC)cc3s2)c1 ZINC000033271618 521417061 /nfs/dbraw/zinc/41/70/61/521417061.db2.gz MJXNAAUCCUDFCE-KRWDZBQOSA-N 0 0 434.521 4.672 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3cccc(C)c3)CC2)n1 ZINC000023334705 521425657 /nfs/dbraw/zinc/42/56/57/521425657.db2.gz LPZGMKFOKVVPNU-UHFFFAOYSA-N 0 0 435.499 4.652 50 0 IJAARN CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3cccnc3)C[C@H]21 ZINC000012196126 521433790 /nfs/dbraw/zinc/43/37/90/521433790.db2.gz LQPPVHGLKZMDHE-CJFMBICVSA-N 0 0 431.492 4.740 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3CC)c2C)c(C)o1 ZINC000012416056 521441718 /nfs/dbraw/zinc/44/17/18/521441718.db2.gz FYPABCFNRAFYAO-UHFFFAOYSA-N 0 0 445.523 4.812 50 0 IJAARN CCOc1ccccc1/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1C ZINC000020617650 521450568 /nfs/dbraw/zinc/45/05/68/521450568.db2.gz RPKZFYHSJQPVDF-WCTVFOPTSA-N 0 0 443.503 4.820 50 0 IJAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCc1nc2ccccc2s1 ZINC000014570264 521453599 /nfs/dbraw/zinc/45/35/99/521453599.db2.gz CKFMQUCXCLYBTD-UHFFFAOYSA-N 0 0 440.956 4.558 50 0 IJAARN CCN(c1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1)C(C)C ZINC000012590414 521488945 /nfs/dbraw/zinc/48/89/45/521488945.db2.gz LQUSJLIPDGSEAJ-UHFFFAOYSA-N 0 0 438.528 4.560 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000021037296 521506450 /nfs/dbraw/zinc/50/64/50/521506450.db2.gz QAROYZKRLFFKLQ-OAQYLSRUSA-N 0 0 442.475 4.824 50 0 IJAARN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCc3ccncc3)cc2)n1 ZINC000036028404 521516412 /nfs/dbraw/zinc/51/64/12/521516412.db2.gz HMZCDPIFCLAVCZ-UHFFFAOYSA-N 0 0 435.597 4.503 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCCCc2nc(-c3ccncc3)no2)s1 ZINC000012522567 521555119 /nfs/dbraw/zinc/55/51/19/521555119.db2.gz RTVIZFYGBJJFRM-UHFFFAOYSA-N 0 0 440.554 4.850 50 0 IJAARN CCCc1nn2c(nc(CSc3ccccc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000020583255 521559047 /nfs/dbraw/zinc/55/90/47/521559047.db2.gz OABNRMHREWUSHI-UHFFFAOYSA-N 0 0 442.610 4.915 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000020445841 521572880 /nfs/dbraw/zinc/57/28/80/521572880.db2.gz OERDQORNCQQOCY-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN CCCN(CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035988430 521574279 /nfs/dbraw/zinc/57/42/79/521574279.db2.gz LULKNDGTCIJIHZ-UHFFFAOYSA-N 0 0 438.446 4.562 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)n1 ZINC000012863895 521592528 /nfs/dbraw/zinc/59/25/28/521592528.db2.gz LQQNJZGICTWMKO-LLVKDONJSA-N 0 0 430.530 4.990 50 0 IJAARN CCCn1c(CN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020622178 521629067 /nfs/dbraw/zinc/62/90/67/521629067.db2.gz PWVMIELJQWCNRY-UHFFFAOYSA-N 0 0 443.551 4.614 50 0 IJAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785133 521695603 /nfs/dbraw/zinc/69/56/03/521695603.db2.gz KDQPKRGRBQSAQF-JXFKEZNVSA-N 0 0 437.078 4.764 50 0 IJAARN CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785122 521695748 /nfs/dbraw/zinc/69/57/48/521695748.db2.gz KDQPKRGRBQSAQF-UZLBHIALSA-N 0 0 437.078 4.764 50 0 IJAARN CCCN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021853470 521702646 /nfs/dbraw/zinc/70/26/46/521702646.db2.gz JIVBAMIDAINZMS-SANMLTNESA-N 0 0 436.600 4.747 50 0 IJAARN COC(=O)c1c(C)c(C(=O)CN(C(=O)c2ccc(Cl)cc2)C2CCCCC2)c(C)n1C ZINC000036014364 521751392 /nfs/dbraw/zinc/75/13/92/521751392.db2.gz MACGABMKSNGAMI-UHFFFAOYSA-N 0 0 444.959 4.740 50 0 IJAARN COC(=O)c1cc(Br)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000012549231 521797614 /nfs/dbraw/zinc/79/76/14/521797614.db2.gz BGISWNNWTDFZJH-UHFFFAOYSA-N 0 0 426.694 4.685 50 0 IJAARN CCc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000009659498 521850670 /nfs/dbraw/zinc/85/06/70/521850670.db2.gz AQFPIAOEPFOVPB-UHFFFAOYSA-N 0 0 444.503 4.670 50 0 IJAARN COc1c2c(c(CSc3ccnc4cc(Cl)ccc43)c(OC)c1OC)C(=O)OC2 ZINC000012418067 521886475 /nfs/dbraw/zinc/88/64/75/521886475.db2.gz MIPVRECEPDRVJG-UHFFFAOYSA-N 0 0 431.897 4.877 50 0 IJAARN COC(=O)c1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012202144 522005292 /nfs/dbraw/zinc/00/52/92/522005292.db2.gz RJGGRSPAEQQDHV-XMMPIXPASA-N 0 0 445.519 4.654 50 0 IJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CCCCC3 ZINC000035892425 522056260 /nfs/dbraw/zinc/05/62/60/522056260.db2.gz NWUABGOOZWDEPF-INIZCTEOSA-N 0 0 426.630 4.922 50 0 IJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccccc1OC ZINC000035765191 522066716 /nfs/dbraw/zinc/06/67/16/522066716.db2.gz YKOWENUFWWYZFQ-OAQYLSRUSA-N 0 0 448.563 4.800 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2sc(C)c(C)c2c1=O ZINC000012800444 522073778 /nfs/dbraw/zinc/07/37/78/522073778.db2.gz XEQXEAZSQWRMBM-INIZCTEOSA-N 0 0 430.595 4.702 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)CC)c1)C(=O)c1ccccc1Cl ZINC000035770312 522097361 /nfs/dbraw/zinc/09/73/61/522097361.db2.gz MOPJQTXNIJGHOI-OAHLLOKOSA-N 0 0 439.961 4.518 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000012197040 522166376 /nfs/dbraw/zinc/16/63/76/522166376.db2.gz YDAYZMPDKSUZAB-NOZRDPDXSA-N 0 0 444.487 4.733 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034723567 522215354 /nfs/dbraw/zinc/21/53/54/522215354.db2.gz UMYAZVORNFOYJM-OAHLLOKOSA-N 0 0 447.501 4.957 50 0 IJAARN CN(C)c1ccc(NC(=O)C(C)(C)C)cc1CN(C[C@@H]1CCCO1)C(=O)c1cccs1 ZINC000034921649 522222498 /nfs/dbraw/zinc/22/24/98/522222498.db2.gz ASOAZLRBBCOMCD-IBGZPJMESA-N 0 0 443.613 4.620 50 0 IJAARN CCc1nc(C)nc(N2CCCN(C(=O)CCc3ccccc3)CC2)c1Cc1ccccc1 ZINC000035769279 522242066 /nfs/dbraw/zinc/24/20/66/522242066.db2.gz ABGCZMVXCVWUIG-UHFFFAOYSA-N 0 0 442.607 4.610 50 0 IJAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)ccc1C ZINC000012696283 522284129 /nfs/dbraw/zinc/28/41/29/522284129.db2.gz FHYTXSRODFGAGW-QGZVFWFLSA-N 0 0 443.544 4.795 50 0 IJAARN CC[C@H](NC(=O)CN1C(=S)N=NC1c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000012794161 522405167 /nfs/dbraw/zinc/40/51/67/522405167.db2.gz UXABDIPCXIUVRG-KRWDZBQOSA-N 0 0 445.386 4.572 50 0 IJAARN CCc1nc(SCc2cc(=O)n3cccc(C)c3n2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012756515 522410492 /nfs/dbraw/zinc/41/04/92/522410492.db2.gz POVZVOIWUZBBGI-UHFFFAOYSA-N 0 0 437.956 4.550 50 0 IJAARN CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2ncc3ccccc3c2=O)c2cccs2)cc1 ZINC000013007049 522431834 /nfs/dbraw/zinc/43/18/34/522431834.db2.gz PZEWIQHLCJZUBV-OSPHWJPCSA-N 0 0 431.561 4.877 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl)C(=O)CC(C)(C)C ZINC000035948265 522452165 /nfs/dbraw/zinc/45/21/65/522452165.db2.gz QRIVCBRERXWAME-SFHVURJKSA-N 0 0 431.989 4.974 50 0 IJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012865483 522516213 /nfs/dbraw/zinc/51/62/13/522516213.db2.gz KDMHPJQUBQAGDT-UHFFFAOYSA-N 0 0 431.414 4.519 50 0 IJAARN COC[C@H](C)Oc1cccc(CN(Cc2ccncc2)C(=O)/C=C/c2ccc(OC)cc2)c1 ZINC000012157528 522639369 /nfs/dbraw/zinc/63/93/69/522639369.db2.gz ICSCAILUDYNPHJ-ZRFOIIEFSA-N 0 0 446.547 4.746 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H]1CCCO1)C(C)=O ZINC000035975997 522640216 /nfs/dbraw/zinc/64/02/16/522640216.db2.gz BUHFSNZUHPEUNR-JOCHJYFZSA-N 0 0 437.515 4.894 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)cc1Cl ZINC000021914692 522813062 /nfs/dbraw/zinc/81/30/62/522813062.db2.gz IQADIVGHWPEQAQ-UHFFFAOYSA-N 0 0 436.899 4.936 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cccc4ccccc43)cs2)c1 ZINC000015881043 522859757 /nfs/dbraw/zinc/85/97/57/522859757.db2.gz KNQUSHDUBWNQNG-UHFFFAOYSA-N 0 0 447.516 4.747 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc(OC)c1O ZINC000263586673 522924365 /nfs/dbraw/zinc/92/43/65/522924365.db2.gz WUDVBKNKJGZIAS-SFHVURJKSA-N 0 0 428.488 4.887 50 0 biogenic IJAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OC(C)C ZINC000021725684 522924608 /nfs/dbraw/zinc/92/46/08/522924608.db2.gz XCYRNGVUMXYGDB-HNNXBMFYSA-N 0 0 434.521 4.752 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)c1ccc(C)cc1)N(Cc1ccccc1)CC2 ZINC000036043124 523038778 /nfs/dbraw/zinc/03/87/78/523038778.db2.gz CNCJYVAOFAFYFB-CCLHPLFOSA-N 0 0 444.575 4.930 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(F)cc1)CC2 ZINC000036042930 523049027 /nfs/dbraw/zinc/04/90/27/523049027.db2.gz GOMBNLNWBWBRCS-DWXRJYCRSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccc(F)cc1)CC2 ZINC000036042929 523049531 /nfs/dbraw/zinc/04/95/31/523049531.db2.gz GOMBNLNWBWBRCS-QYBDOPJKSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc(C)c1C)CC2 ZINC000012873270 523051558 /nfs/dbraw/zinc/05/15/58/523051558.db2.gz ZGTDHYHAHQTVSW-RUZDIDTESA-N 0 0 436.577 4.968 50 0 IJAARN CCc1sc2nc(SCc3noc(C)n3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000012918777 523080076 /nfs/dbraw/zinc/08/00/76/523080076.db2.gz ZVSDLHGHRZHVJO-UHFFFAOYSA-N 0 0 426.567 4.669 50 0 IJAARN CCn1c(C)c(C(=O)CN(C(=O)c2ccc(F)cc2)C2CCCCC2)c(C)c1C(=O)OC ZINC000036018664 523123707 /nfs/dbraw/zinc/12/37/07/523123707.db2.gz XPMBCQKVFALCBG-UHFFFAOYSA-N 0 0 442.531 4.708 50 0 IJAARN COc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)o2)cc1Cl ZINC000022078646 523136292 /nfs/dbraw/zinc/13/62/92/523136292.db2.gz IYXPNZONNHYAFF-LJQANCHMSA-N 0 0 429.929 4.512 50 0 IJAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)[C@@H](C)Oc4ccccc4)cc3)n2)cc1 ZINC000023437203 523144302 /nfs/dbraw/zinc/14/43/02/523144302.db2.gz AEVAJQLLXFREJF-GOSISDBHSA-N 0 0 427.504 4.836 50 0 IJAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012568586 523148229 /nfs/dbraw/zinc/14/82/29/523148229.db2.gz VOGMVEJRUXOETA-IBGZPJMESA-N 0 0 445.544 4.572 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000035684728 523152545 /nfs/dbraw/zinc/15/25/45/523152545.db2.gz QYBBDHKXGOTCNU-QGZVFWFLSA-N 0 0 446.385 4.629 50 0 IJAARN COc1ccc(-c2csc(N3CCN(C(=O)c4cc5ccccc5s4)CC3)n2)cc1 ZINC000012371037 523165389 /nfs/dbraw/zinc/16/53/89/523165389.db2.gz VIZWSHZEIOFEAK-UHFFFAOYSA-N 0 0 435.574 4.996 50 0 IJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012811685 523230500 /nfs/dbraw/zinc/23/05/00/523230500.db2.gz CEXDNFKZMQIPOD-JXMROGBWSA-N 0 0 431.363 4.904 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000023644002 523236836 /nfs/dbraw/zinc/23/68/36/523236836.db2.gz XFEDWQCQXDGPHG-UHFFFAOYSA-N 0 0 438.933 4.614 50 0 IJAARN COc1ccc(-c2nn(Cc3nc(-c4cccc(C)c4)oc3C)c(=O)c3noc(C)c32)cc1 ZINC000021883133 523246987 /nfs/dbraw/zinc/24/69/87/523246987.db2.gz JBPOKGHRQFODRH-UHFFFAOYSA-N 0 0 442.475 4.689 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)n2C(C)C)cc1 ZINC000013130390 523265649 /nfs/dbraw/zinc/26/56/49/523265649.db2.gz VSIKNTNOGZBHCB-MRXNPFEDSA-N 0 0 438.553 4.857 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000012379669 523275952 /nfs/dbraw/zinc/27/59/52/523275952.db2.gz YJAKIXCKHXFHSN-UHFFFAOYSA-N 0 0 428.448 4.623 50 0 IJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Br)cc3C)n2)cc1 ZINC000015669625 523285165 /nfs/dbraw/zinc/28/51/65/523285165.db2.gz MKTNIWJBFYHPOD-UHFFFAOYSA-N 0 0 430.302 4.778 50 0 IJAARN COc1ccc(-n2c(SC[C@H](O)COC(C)(C)C)nnc2-c2ccccc2Cl)cc1 ZINC000012517079 523322008 /nfs/dbraw/zinc/32/20/08/523322008.db2.gz UOECOHJKIIVGGQ-MRXNPFEDSA-N 0 0 447.988 4.864 50 0 IJAARN COc1ccc(-n2c(SCc3cc(C)ccc3C)nc3c(c2=O)SCC3)cc1OC ZINC000012140703 523322500 /nfs/dbraw/zinc/32/25/00/523322500.db2.gz QNFJIABVBNKXNB-UHFFFAOYSA-N 0 0 440.590 4.807 50 0 IJAARN COc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2C(F)(F)F)cc1 ZINC000016346929 523355503 /nfs/dbraw/zinc/35/55/03/523355503.db2.gz VUZZQUCWIOTSPZ-UHFFFAOYSA-N 0 0 434.809 4.504 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884450 523422560 /nfs/dbraw/zinc/42/25/60/523422560.db2.gz HJCVOFOWDSVCEY-JOCHJYFZSA-N 0 0 436.458 4.917 50 0 IJAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 ZINC000020615989 523494943 /nfs/dbraw/zinc/49/49/43/523494943.db2.gz NWSZHYHGIHQGQR-ZSOIEALJSA-N 0 0 437.087 4.565 50 0 IJAARN COCCCn1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605598 523502147 /nfs/dbraw/zinc/50/21/47/523502147.db2.gz KVELUJRCVHRKER-UHFFFAOYSA-N 0 0 435.540 4.896 50 0 IJAARN CC[S@@](=O)c1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022227754 523637626 /nfs/dbraw/zinc/63/76/26/523637626.db2.gz VZKTYAGTUMTVDS-MYGHRHJXSA-N 0 0 437.517 4.790 50 0 IJAARN CCn1nc(C)cc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012590649 523673387 /nfs/dbraw/zinc/67/33/87/523673387.db2.gz AEEVWTOOJLACAQ-INIZCTEOSA-N 0 0 436.478 4.501 50 0 IJAARN CCn1ncc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)c1C ZINC000036617290 523686378 /nfs/dbraw/zinc/68/63/78/523686378.db2.gz FOPKCHGXHYWSSL-UHFFFAOYSA-N 0 0 427.480 4.881 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)NC(C)C ZINC000035978551 523738218 /nfs/dbraw/zinc/73/82/18/523738218.db2.gz KICCBTFDGPIYAZ-UHFFFAOYSA-N 0 0 436.556 4.848 50 0 IJAARN COc1ccc(C(=O)Nc2cc(OC)ccc2N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000034739691 523745390 /nfs/dbraw/zinc/74/53/90/523745390.db2.gz INZBKHNPUUTZGP-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(-n3nc(OCC(C)C)nc3-c3ccco3)c2)cc1 ZINC000037385129 523755585 /nfs/dbraw/zinc/75/55/85/523755585.db2.gz JHVPDFHJBJBQOB-UHFFFAOYSA-N 0 0 432.480 4.823 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccc(OC)cc3)c2)cc1 ZINC000035912299 523758032 /nfs/dbraw/zinc/75/80/32/523758032.db2.gz LRBCFZBURXGKSU-DEOSSOPVSA-N 0 0 434.517 4.735 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(C)c1 ZINC000036031517 523775052 /nfs/dbraw/zinc/77/50/52/523775052.db2.gz GUPCVECJAOELCX-UHFFFAOYSA-N 0 0 430.957 4.973 50 0 IJAARN CN1CCCN(C(=O)c2cc(Br)ccc2Cl)c2nc3ccccc3nc21 ZINC000012798844 523804763 /nfs/dbraw/zinc/80/47/63/523804763.db2.gz WVDWZWDFSSAVSM-UHFFFAOYSA-N 0 0 431.721 4.532 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(Cl)cc2)C12CCCCC2 ZINC000020745322 523811071 /nfs/dbraw/zinc/81/10/71/523811071.db2.gz VANOQAHJZDNYOG-JOCHJYFZSA-N 0 0 440.971 4.545 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)COc1ccc(C)cc1OC)c1ccccc1 ZINC000020919302 523835954 /nfs/dbraw/zinc/83/59/54/523835954.db2.gz AQLPKLOHCJLYRY-VWLOTQADSA-N 0 0 449.503 4.623 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780779 523839626 /nfs/dbraw/zinc/83/96/26/523839626.db2.gz PLFZQWQVIPNSTO-KBMIEXCESA-N 0 0 441.535 4.615 50 0 IJAARN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(Cc2ccco2)C3=O)s1 ZINC000021809983 523847410 /nfs/dbraw/zinc/84/74/10/523847410.db2.gz RVNNOIGSJGQXQP-XMMPIXPASA-N 0 0 439.581 4.722 50 0 IJAARN CCc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3cccs3)N3CCOCC3)s2)cc1 ZINC000022357546 523859564 /nfs/dbraw/zinc/85/95/64/523859564.db2.gz PEADUJDWWBKUCT-LJQANCHMSA-N 0 0 441.622 4.546 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)nnc2-c2ccncc2)cc1 ZINC000245228190 523867833 /nfs/dbraw/zinc/86/78/33/523867833.db2.gz JOXSWMRZTUMBJG-JBYIUTFZSA-N 0 0 449.624 4.925 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000035944408 523879447 /nfs/dbraw/zinc/87/94/47/523879447.db2.gz CTVUOZIWSIEQGN-HSZRJFAPSA-N 0 0 436.458 4.809 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000020738450 523880049 /nfs/dbraw/zinc/88/00/49/523880049.db2.gz JWNPCDKHMFVPGA-QFQXNSOFSA-N 0 0 446.503 4.963 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3nccc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 ZINC000023335325 523886533 /nfs/dbraw/zinc/88/65/33/523886533.db2.gz FHKFBMCTRJFYJJ-UHFFFAOYSA-N 0 0 440.469 4.687 50 0 IJAARN CCc1ccc(C(=O)Nc2cccc([C@H]3C(C(=O)OC)=C(C)N=C4SCCCN43)c2)cc1 ZINC000016613639 523896035 /nfs/dbraw/zinc/89/60/35/523896035.db2.gz GKDSFSNJJPRUOW-QFIPXVFZSA-N 0 0 449.576 4.798 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1 ZINC000033311979 523932636 /nfs/dbraw/zinc/93/26/36/523932636.db2.gz DDDSEBAWUNOUTB-UHFFFAOYSA-N 0 0 444.579 4.927 50 0 IJAARN CCc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000015868720 523936558 /nfs/dbraw/zinc/93/65/58/523936558.db2.gz UNNSFCPFCOQQJG-SFHVURJKSA-N 0 0 447.579 4.544 50 0 IJAARN COc1ccc(CCNC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1 ZINC000011665721 523972831 /nfs/dbraw/zinc/97/28/31/523972831.db2.gz JYYAALIRVHXTKO-UHFFFAOYSA-N 0 0 438.890 4.503 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)s1 ZINC000042380393 524011882 /nfs/dbraw/zinc/01/18/82/524011882.db2.gz NBEHWZDLWNIWDU-ZDUSSCGKSA-N 0 0 437.587 4.536 50 0 IJAARN COc1ccc(CN2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 ZINC000021661368 524019615 /nfs/dbraw/zinc/01/96/15/524019615.db2.gz SOKZSLKKHLVHJG-UHFFFAOYSA-N 0 0 442.924 4.680 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2Br)cc1 ZINC000021106911 524021926 /nfs/dbraw/zinc/02/19/26/524021926.db2.gz BARJUOXVJOQXKK-NRFANRHFSA-N 0 0 438.325 4.928 50 0 IJAARN CN(C)C(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc32)cc1 ZINC000012424674 524024397 /nfs/dbraw/zinc/02/43/97/524024397.db2.gz BFXJHDXYGWXGFQ-UHFFFAOYSA-N 0 0 448.573 4.791 50 0 IJAARN Cc1cccc(-c2cc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)ncn2)c1 ZINC000035480961 524106517 /nfs/dbraw/zinc/10/65/17/524106517.db2.gz BBRGRPWMKVVFQS-XMMPIXPASA-N 0 0 426.564 4.862 50 0 IJAARN Cc1cccc(-c2cc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)ncn2)c1 ZINC000035480963 524106837 /nfs/dbraw/zinc/10/68/37/524106837.db2.gz BBRGRPWMKVVFQS-DEOSSOPVSA-N 0 0 426.564 4.862 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)nn2)c1 ZINC000035398418 524107867 /nfs/dbraw/zinc/10/78/67/524107867.db2.gz JYNHKMRZYGPLAX-RUZDIDTESA-N 0 0 426.564 4.862 50 0 IJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)nc2)c1 ZINC000035513278 524109761 /nfs/dbraw/zinc/10/97/61/524109761.db2.gz AZZWCLFRRMAEGY-RUZDIDTESA-N 0 0 426.564 4.862 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(F)c(F)c(F)c4)C3)nn2)c1 ZINC000035398291 524111515 /nfs/dbraw/zinc/11/15/15/524111515.db2.gz UWCXHPPXEWOGGA-MRXNPFEDSA-N 0 0 426.442 4.724 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021862662 524119980 /nfs/dbraw/zinc/11/99/80/524119980.db2.gz MCCLHBGQBYFETL-MHZLTWQESA-N 0 0 444.579 4.533 50 0 IJAARN Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(F)c(F)c3)n2)c1 ZINC000023126888 524129437 /nfs/dbraw/zinc/12/94/37/524129437.db2.gz ATQLLNPBDJMNBH-UHFFFAOYSA-N 0 0 447.488 4.877 50 0 IJAARN Cc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)COCc3ccccc3)n2)c1 ZINC000035845262 524133190 /nfs/dbraw/zinc/13/31/90/524133190.db2.gz VWZIKKGWCKVCFK-HSZRJFAPSA-N 0 0 427.504 4.662 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2C)c1OC ZINC000012753715 524135256 /nfs/dbraw/zinc/13/52/56/524135256.db2.gz VSPMVSANHNSAGJ-XMMPIXPASA-N 0 0 427.504 4.676 50 0 IJAARN Cc1cccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2-c2ccco2)c1 ZINC000034911489 524144281 /nfs/dbraw/zinc/14/42/81/524144281.db2.gz BHQBPRCRXXOSRU-UHFFFAOYSA-N 0 0 426.520 4.931 50 0 IJAARN Cc1cccc(-n2nnnc2SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000021262966 524148611 /nfs/dbraw/zinc/14/86/11/524148611.db2.gz FOZOLQMBHYWYMB-QFIPXVFZSA-N 0 0 449.967 4.622 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000035355442 524153495 /nfs/dbraw/zinc/15/34/95/524153495.db2.gz RZSAUGMTKJPKCV-HSZRJFAPSA-N 0 0 433.577 4.503 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021811239 524170560 /nfs/dbraw/zinc/17/05/60/524170560.db2.gz RMCNNJWRWDIFHW-YOPMBXEFSA-N 0 0 447.579 4.777 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000021809417 524171497 /nfs/dbraw/zinc/17/14/97/524171497.db2.gz FBHBYHSQZBNDRT-BUKPSGGLSA-N 0 0 427.614 4.945 50 0 IJAARN COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060404 524179746 /nfs/dbraw/zinc/17/97/46/524179746.db2.gz DHQJPGCGDPWFKT-CLJLJLNGSA-N 0 0 442.559 4.518 50 0 IJAARN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766053 524197811 /nfs/dbraw/zinc/19/78/11/524197811.db2.gz RGDGCQWVRIIVPO-NRFANRHFSA-N 0 0 426.969 4.940 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nc(-c3ccccc3C)no2)CC1 ZINC000035374942 524221304 /nfs/dbraw/zinc/22/13/04/524221304.db2.gz DAVWZVIHQUGHTO-UHFFFAOYSA-N 0 0 426.904 4.562 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000012804622 524221902 /nfs/dbraw/zinc/22/19/02/524221902.db2.gz SAYJJDHMPFWWHI-UHFFFAOYSA-N 0 0 447.919 4.630 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCCC[C@H]4CCN4CCCC4=O)n3)CCCC2)cc1 ZINC000012705346 524228422 /nfs/dbraw/zinc/22/84/22/524228422.db2.gz KHKHWAVSKIKADM-QFIPXVFZSA-N 0 0 436.600 4.605 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000014462851 524242249 /nfs/dbraw/zinc/24/22/49/524242249.db2.gz CNBADAZOIDYLKM-UHFFFAOYSA-N 0 0 436.961 4.554 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561929 524245176 /nfs/dbraw/zinc/24/51/76/524245176.db2.gz JUHBNGXWKZNMNT-WOJBJXKFSA-N 0 0 431.580 4.794 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002207866 524258184 /nfs/dbraw/zinc/25/81/84/524258184.db2.gz LTNMTISTHXWORT-UHFFFAOYSA-N 0 0 430.508 4.713 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)c(C)c1 ZINC000015881913 524290125 /nfs/dbraw/zinc/29/01/25/524290125.db2.gz XEBXVPXCJVDJHU-UHFFFAOYSA-N 0 0 431.565 4.638 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000027400001 524356986 /nfs/dbraw/zinc/35/69/86/524356986.db2.gz FMLNLMXCKXJSQI-JOCHJYFZSA-N 0 0 447.487 4.725 50 0 IJAARN Cc1cccc(CCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000021166820 524361785 /nfs/dbraw/zinc/36/17/85/524361785.db2.gz QBZFXNWHACWMSH-UHFFFAOYSA-N 0 0 431.966 4.637 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2F)C(=O)C2CCCC2)C1 ZINC000035835595 524374293 /nfs/dbraw/zinc/37/42/93/524374293.db2.gz VQBYSLYBNAUHGO-LJQANCHMSA-N 0 0 428.479 4.685 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@@H]2c2cccnc2)cc1 ZINC000035225358 524401900 /nfs/dbraw/zinc/40/19/00/524401900.db2.gz JQCWYXMBRPSKDQ-RPBOFIJWSA-N 0 0 443.547 4.738 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)c1 ZINC000021643939 524421367 /nfs/dbraw/zinc/42/13/67/524421367.db2.gz RWWIPLMIXQGWKZ-HXUWFJFHSA-N 0 0 434.565 4.680 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000021099782 524429824 /nfs/dbraw/zinc/42/98/24/524429824.db2.gz IQTZQKMFMHFCPL-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1OC ZINC000012894340 524473352 /nfs/dbraw/zinc/47/33/52/524473352.db2.gz UZEOKPQODNVZGU-UHFFFAOYSA-N 0 0 443.853 4.626 50 0 IJAARN COc1ccccc1CNC(=O)[C@H](C)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000012772210 524475820 /nfs/dbraw/zinc/47/58/20/524475820.db2.gz CMSQLGHDDDWAAZ-HNNXBMFYSA-N 0 0 444.000 4.843 50 0 IJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)c(C)c1 ZINC000012458184 524481610 /nfs/dbraw/zinc/48/16/10/524481610.db2.gz VOGTZFPFURQEEG-IBGZPJMESA-N 0 0 431.536 4.823 50 0 IJAARN Cc1cccc(Cn2c3ccccc3c3nnc(SCC(=O)NC4CCCCC4)nc32)c1 ZINC000035701240 524493765 /nfs/dbraw/zinc/49/37/65/524493765.db2.gz JLGWYOYMSVUCDM-UHFFFAOYSA-N 0 0 445.592 4.877 50 0 IJAARN COc1ccc(NC(=O)COc2c(Br)cccc2OC(F)F)cc1Cl ZINC000225824826 524502916 /nfs/dbraw/zinc/50/29/16/524502916.db2.gz RLMJGGAWRVLCEL-UHFFFAOYSA-N 0 0 436.636 4.730 50 0 IJAARN Cc1ccc(CNC(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000012764781 524509612 /nfs/dbraw/zinc/50/96/12/524509612.db2.gz JSLXEMJJCYYTSD-UHFFFAOYSA-N 0 0 441.603 4.571 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2OC)cc1 ZINC000033068665 524510692 /nfs/dbraw/zinc/51/06/92/524510692.db2.gz FEFYFMHBFKKPMK-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)n1 ZINC000020615939 524533154 /nfs/dbraw/zinc/53/31/54/524533154.db2.gz PLJWRLZPKXLFML-ZDUSSCGKSA-N 0 0 447.486 4.738 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000021811200 524535232 /nfs/dbraw/zinc/53/52/32/524535232.db2.gz HELZKSXTUDWZRA-BNJIMDBKSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3nn(C)c4c3CSc3ccc(C)cc3-4)C[C@@H]2C)c1 ZINC000021049225 524552410 /nfs/dbraw/zinc/55/24/10/524552410.db2.gz KDPNCRPCJNWXCE-SFHVURJKSA-N 0 0 432.593 4.661 50 0 IJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c(OC)c1 ZINC000023443900 524556219 /nfs/dbraw/zinc/55/62/19/524556219.db2.gz CPWHDCLTWZFIIE-RUZDIDTESA-N 0 0 448.519 4.901 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c(OC)c1 ZINC000035684570 524592270 /nfs/dbraw/zinc/59/22/70/524592270.db2.gz VDFIKXBKEHJYKH-KRWDZBQOSA-N 0 0 440.887 4.701 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1Cl ZINC000035398161 524593776 /nfs/dbraw/zinc/59/37/76/524593776.db2.gz GUWUDGLAHHTLCQ-GOSISDBHSA-N 0 0 436.943 4.969 50 0 IJAARN Cc1cccc(NC(=O)CNC(=O)CSc2nc3ccccc3n2CCC(C)C)c1C ZINC000012520478 524598284 /nfs/dbraw/zinc/59/82/84/524598284.db2.gz QYPLILJXCJXDCS-UHFFFAOYSA-N 0 0 438.597 4.546 50 0 IJAARN Cc1cc(C)nc(SCC(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1 ZINC000021369912 524599382 /nfs/dbraw/zinc/59/93/82/524599382.db2.gz AERQALSIBJNWPL-JOCHJYFZSA-N 0 0 440.496 4.676 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12 ZINC000021726870 524599791 /nfs/dbraw/zinc/59/97/91/524599791.db2.gz DHFIKGVFHIHVOM-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1C ZINC000035533741 524603752 /nfs/dbraw/zinc/60/37/52/524603752.db2.gz XGYJPEUOHOZXMM-ZDUSSCGKSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)c1C ZINC000035533744 524605319 /nfs/dbraw/zinc/60/53/19/524605319.db2.gz XGYJPEUOHOZXMM-CYBMUJFWSA-N 0 0 427.599 4.670 50 0 IJAARN COc1ccc(NC(=O)c2cccc(C)c2)cc1CN1CCn2c(nc3ccccc32)C1 ZINC000021800236 524640794 /nfs/dbraw/zinc/64/07/94/524640794.db2.gz ZDESGBBLIWBBPG-UHFFFAOYSA-N 0 0 426.520 4.621 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000012559971 524645164 /nfs/dbraw/zinc/64/51/64/524645164.db2.gz CQNCWJDRVVDQLR-UHFFFAOYSA-N 0 0 446.532 4.863 50 0 IJAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc2O1 ZINC000041158148 524658787 /nfs/dbraw/zinc/65/87/87/524658787.db2.gz MPJLWMCLEWXYRQ-HNNXBMFYSA-N 0 0 442.924 4.569 50 0 IJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1 ZINC000012678773 524663007 /nfs/dbraw/zinc/66/30/07/524663007.db2.gz WUEVBGBYYOBRLT-RUZDIDTESA-N 0 0 443.547 4.569 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000012861324 524667226 /nfs/dbraw/zinc/66/72/26/524667226.db2.gz YBYXYWRNALIYEN-UHFFFAOYSA-N 0 0 431.330 4.867 50 0 IJAARN Cc1ccc(C[C@@]2(CCC(=O)N3CCC(c4nc5ccccc5o4)CC3)CCC(=O)N2)cc1 ZINC000014979993 524667439 /nfs/dbraw/zinc/66/74/39/524667439.db2.gz GFQMWUZXTKRKAP-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ncn2)c1 ZINC000036038166 524716731 /nfs/dbraw/zinc/71/67/31/524716731.db2.gz KWRYZARPFSHSNY-UHFFFAOYSA-N 0 0 443.334 4.847 50 0 IJAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)cc1 ZINC000021639463 524721248 /nfs/dbraw/zinc/72/12/48/524721248.db2.gz VATBHSGNBYHSCL-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057670 524754250 /nfs/dbraw/zinc/75/42/50/524754250.db2.gz SOSXCGCYWWLKEM-GFCCVEGCSA-N 0 0 443.290 4.866 50 0 IJAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3cccs3)c2N1 ZINC000012847695 524760697 /nfs/dbraw/zinc/76/06/97/524760697.db2.gz DABBBHFHQJBZRB-RDJZCZTQSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C(C)(C)C)c1 ZINC000012688097 524782171 /nfs/dbraw/zinc/78/21/71/524782171.db2.gz SMAMUJLYLRPZLI-UHFFFAOYSA-N 0 0 445.581 4.695 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429822 524836894 /nfs/dbraw/zinc/83/68/94/524836894.db2.gz GBCOJRRQJMWFQC-UHFFFAOYSA-N 0 0 428.492 4.629 50 0 IJAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c1 ZINC000035446776 524857192 /nfs/dbraw/zinc/85/71/92/524857192.db2.gz IWFBAMCDJDBDQB-UHFFFAOYSA-N 0 0 432.524 4.752 50 0 biogenic IJAARN Cc1ccc(F)cc1NC(=O)CSc1ncnc2nc(N3CCC(C)CC3)sc21 ZINC000035533300 524859853 /nfs/dbraw/zinc/85/98/53/524859853.db2.gz DKNSGJJHTRBBQE-UHFFFAOYSA-N 0 0 431.562 4.501 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)c1 ZINC000013361682 524867885 /nfs/dbraw/zinc/86/78/85/524867885.db2.gz NSIHYMDPFPHWQP-CYBMUJFWSA-N 0 0 426.542 4.648 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1 ZINC000012871967 524893968 /nfs/dbraw/zinc/89/39/68/524893968.db2.gz MZYHXRMRJDFBNJ-VQFGERMISA-N 0 0 431.916 4.751 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3cc(-c4ccc(F)cc4)sc31)C[C@H]2O ZINC000012813682 524921841 /nfs/dbraw/zinc/92/18/41/524921841.db2.gz VVQUGUCEJGHYLX-QGZVFWFLSA-N 0 0 437.496 4.568 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021850988 524931942 /nfs/dbraw/zinc/93/19/42/524931942.db2.gz JGXHIAPIWBVPPX-AREMUKBSSA-N 0 0 446.551 4.628 50 0 IJAARN COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)n1 ZINC000035806557 524959642 /nfs/dbraw/zinc/95/96/42/524959642.db2.gz BBRSSJJZQVCSGJ-UHFFFAOYSA-N 0 0 444.491 4.521 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4noc(C5CCCC5)n4)c3)CC2=O)cc1 ZINC000021883517 524986376 /nfs/dbraw/zinc/98/63/76/524986376.db2.gz HEUPTVVLBPMJDG-LJQANCHMSA-N 0 0 430.508 4.694 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 ZINC000012433758 524986589 /nfs/dbraw/zinc/98/65/89/524986589.db2.gz FAGLFUWTHUGGAB-SFHVURJKSA-N 0 0 434.515 4.795 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc(C4CC4)n3C)nc21 ZINC000013128255 525000083 /nfs/dbraw/zinc/00/00/83/525000083.db2.gz GLOIDMPUSIVRKQ-UHFFFAOYSA-N 0 0 449.605 4.936 50 0 IJAARN Cc1ccccc1-c1cn2c(C(=O)N(C)CCc3nc4cc(F)ccc4[nH]3)csc2n1 ZINC000012307251 525005452 /nfs/dbraw/zinc/00/54/52/525005452.db2.gz YRGWGZMRLYXQED-UHFFFAOYSA-N 0 0 433.512 4.701 50 0 IJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1cc(=O)c2ccccc2o1 ZINC000012385891 525033988 /nfs/dbraw/zinc/03/39/88/525033988.db2.gz XTGSAAYEBCOJEF-IBGZPJMESA-N 0 0 427.504 4.731 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCc5ccccc5C4)sc32)cc1 ZINC000035533837 525084852 /nfs/dbraw/zinc/08/48/52/525084852.db2.gz XPQAKQZNMFGHBW-UHFFFAOYSA-N 0 0 447.589 4.688 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1Cl ZINC000021357232 525089510 /nfs/dbraw/zinc/08/95/10/525089510.db2.gz GSIGRQZKKOSEGR-UHFFFAOYSA-N 0 0 441.940 4.811 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1C ZINC000035399638 525102273 /nfs/dbraw/zinc/10/22/73/525102273.db2.gz IOBIFZZWTXREKZ-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526627 525135239 /nfs/dbraw/zinc/13/52/39/525135239.db2.gz UYRZWKPUEMDDMJ-SANMLTNESA-N 0 0 433.552 4.796 50 0 IJAARN Cc1ccccc1Cn1c(C(=O)NC[C@@H]2CCCO2)cc2scc(Br)c21 ZINC000037545072 525209204 /nfs/dbraw/zinc/20/92/04/525209204.db2.gz UHAUQCZIGHHDBE-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1ccccc1Cn1cc(CCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000021527968 525211238 /nfs/dbraw/zinc/21/12/38/525211238.db2.gz DFFWFWRSCUDJJF-UHFFFAOYSA-N 0 0 426.516 4.976 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012508273 525272791 /nfs/dbraw/zinc/27/27/91/525272791.db2.gz BOOUNSOMXQCLLO-UHFFFAOYSA-N 0 0 438.524 4.740 50 0 IJAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001088928 525277230 /nfs/dbraw/zinc/27/72/30/525277230.db2.gz KCIJVZDZECUOJA-VGOFRKELSA-N 0 0 435.549 4.650 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1Cl ZINC000035224281 525298221 /nfs/dbraw/zinc/29/82/21/525298221.db2.gz TVGAPKCIPDFHIA-UHFFFAOYSA-N 0 0 425.293 4.948 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)-c3c(C)cccc3OC4)CC2)cc1 ZINC000009970083 534849391 /nfs/dbraw/zinc/84/93/91/534849391.db2.gz RSLPEGHOODXRCG-UHFFFAOYSA-N 0 0 432.545 4.781 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O)c1ccccc1 ZINC000012864751 525352604 /nfs/dbraw/zinc/35/26/04/525352604.db2.gz TXYUJDMZYNGSJQ-KOSHJBKYSA-N 0 0 444.531 4.565 50 0 IJAARN Cc1ccccc1[C@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012632482 525414372 /nfs/dbraw/zinc/41/43/72/525414372.db2.gz PDKFMEVZUYCEFO-HNNXBMFYSA-N 0 0 445.972 4.621 50 0 IJAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041533 525422677 /nfs/dbraw/zinc/42/26/77/525422677.db2.gz WPYADPUEKHRDFP-DHIUTWEWSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)ccc1F ZINC000020604163 525425606 /nfs/dbraw/zinc/42/56/06/525425606.db2.gz HEGOGOPPUXHRHS-IBGZPJMESA-N 0 0 437.945 4.794 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805806 525428164 /nfs/dbraw/zinc/42/81/64/525428164.db2.gz NHVCMZVZKRHZAP-AREMUKBSSA-N 0 0 440.547 4.854 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805767 525430817 /nfs/dbraw/zinc/43/08/17/525430817.db2.gz MJTVPTJIDVCMDT-VWLOTQADSA-N 0 0 444.510 4.684 50 0 IJAARN Cc1cc(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)cc1Br ZINC000012599772 525435586 /nfs/dbraw/zinc/43/55/86/525435586.db2.gz RWXCGTUWCQBYBW-SRCQZFHVSA-N 0 0 442.419 4.642 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(OCCO)cc2)c(F)c1 ZINC000020869440 525437907 /nfs/dbraw/zinc/43/79/07/525437907.db2.gz XPXPAQYHWZIMEM-MHZLTWQESA-N 0 0 446.522 4.834 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c(NC(=O)C(C)(C)C)c1 ZINC000035447979 525442947 /nfs/dbraw/zinc/44/29/47/525442947.db2.gz JEXFVXULKZHMSV-UHFFFAOYSA-N 0 0 425.554 4.507 50 0 IJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)COc1ncnc2ccccc21 ZINC000011953319 525449514 /nfs/dbraw/zinc/44/95/14/525449514.db2.gz ALZDIJVBTFMKQQ-MHZLTWQESA-N 0 0 448.526 4.973 50 0 IJAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001088930 525450802 /nfs/dbraw/zinc/45/08/02/525450802.db2.gz KCIJVZDZECUOJA-VGSWGCGISA-N 0 0 435.549 4.650 50 0 IJAARN COc1ccc2c(CSc3ccccc3C(=O)OCC(=O)C(C)(C)C)cc(=O)oc2c1 ZINC000012917313 525501003 /nfs/dbraw/zinc/50/10/03/525501003.db2.gz MISRCBSWFOHFCP-UHFFFAOYSA-N 0 0 440.517 4.866 50 0 IJAARN C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2ccnc2)cc1 ZINC000012558617 525504482 /nfs/dbraw/zinc/50/44/82/525504482.db2.gz FMVZUGCHTJDWQJ-LBPRGKRZSA-N 0 0 429.851 4.584 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc32)cc1 ZINC000020889202 525552524 /nfs/dbraw/zinc/55/25/24/525552524.db2.gz JDPNAGPPRJWRFH-UHFFFAOYSA-N 0 0 444.915 4.791 50 0 IJAARN Cc1c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000022226819 525582066 /nfs/dbraw/zinc/58/20/66/525582066.db2.gz CYOUBOPNAWBHHU-UHFFFAOYSA-N 0 0 429.564 4.589 50 0 IJAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000016992437 525584220 /nfs/dbraw/zinc/58/42/20/525584220.db2.gz OEQBKFOJQNEHLN-UHFFFAOYSA-N 0 0 438.503 4.612 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)cc1 ZINC000008594474 534867328 /nfs/dbraw/zinc/86/73/28/534867328.db2.gz HJYUVPQBHUKQRA-UHFFFAOYSA-N 0 0 432.505 4.681 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccccc4C)ccc3C)nc2c1 ZINC000033068084 525607081 /nfs/dbraw/zinc/60/70/81/525607081.db2.gz BIYAOLIBWJUWDZ-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000021826389 525609313 /nfs/dbraw/zinc/60/93/13/525609313.db2.gz MWJMPMNPWPZYFG-UHFFFAOYSA-N 0 0 428.467 4.828 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909943 525609937 /nfs/dbraw/zinc/60/99/37/525609937.db2.gz OLNOPUUPVSIMAI-HNNXBMFYSA-N 0 0 437.446 4.919 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)c(C)c1)C3=O ZINC000021857455 525644152 /nfs/dbraw/zinc/64/41/52/525644152.db2.gz DIVBPJDOBLLQHG-HHHXNRCGSA-N 0 0 445.563 4.745 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(c1ccc(F)cc1)C3=O ZINC000020902894 525644492 /nfs/dbraw/zinc/64/44/92/525644492.db2.gz KMUMSQOXZCFLMB-AREMUKBSSA-N 0 0 449.526 4.657 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041089732 525675976 /nfs/dbraw/zinc/67/59/76/525675976.db2.gz GKQPGHXOVOFRHN-UHFFFAOYSA-N 0 0 425.897 4.794 50 0 IJAARN Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000021801650 525677071 /nfs/dbraw/zinc/67/70/71/525677071.db2.gz FTQLPUREZAIZIL-UHFFFAOYSA-N 0 0 433.313 4.818 50 0 IJAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)Nc3c(C)cccc3C)c(=O)c12 ZINC000032999213 525678137 /nfs/dbraw/zinc/67/81/37/525678137.db2.gz ATGRWWPXHVCBPM-UHFFFAOYSA-N 0 0 432.499 4.589 50 0 IJAARN Cc1c(C)n(Cc2ccco2)c(NC(=O)c2ccncc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012322734 525687766 /nfs/dbraw/zinc/68/77/66/525687766.db2.gz DKPBHYPIIDLIQN-UHFFFAOYSA-N 0 0 449.532 4.535 50 0 IJAARN COc1cccc(-c2ccc(SCc3nc(-c4ccc(OC)cc4OC)no3)nn2)c1 ZINC000033262480 525714377 /nfs/dbraw/zinc/71/43/77/525714377.db2.gz UEAYFSHYKUPKAI-UHFFFAOYSA-N 0 0 436.493 4.512 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)CC(C)C)no2)cc1 ZINC000036002321 525716282 /nfs/dbraw/zinc/71/62/82/525716282.db2.gz MEBYKVYIOROPTG-UHFFFAOYSA-N 0 0 437.515 4.594 50 0 IJAARN COc1cccc(-c2nc(C(=O)Nc3nc(CN4CCCCC4)cs3)cs2)c1OC ZINC000012760439 525722834 /nfs/dbraw/zinc/72/28/34/525722834.db2.gz QSEJGCOHYNTEHW-UHFFFAOYSA-N 0 0 444.582 4.522 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCCC5)CC4)nccn3n2)cc1C ZINC000021932458 525738388 /nfs/dbraw/zinc/73/83/88/525738388.db2.gz OENLDPFRLAGMRD-UHFFFAOYSA-N 0 0 431.584 4.678 50 0 IJAARN COc1cccc(-n2c(C)nc3ccc(O[C@@H]4CCc5ccccc5NC4=O)cc3c2=O)c1 ZINC000012296841 525746727 /nfs/dbraw/zinc/74/67/27/525746727.db2.gz YEJAZSGONZQRKK-XMMPIXPASA-N 0 0 441.487 4.685 50 0 biogenic IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)nn2)cc1 ZINC000035398522 525752622 /nfs/dbraw/zinc/75/26/22/525752622.db2.gz DBPGYIKQHGLYCE-RUZDIDTESA-N 0 0 426.564 4.862 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C ZINC000017101175 525768948 /nfs/dbraw/zinc/76/89/48/525768948.db2.gz COGVJHFAZIRBCR-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c2ccccc2)cc1 ZINC000012623505 525769335 /nfs/dbraw/zinc/76/93/35/525769335.db2.gz KUTFZWQTLWHQAY-VWLOTQADSA-N 0 0 448.588 4.607 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000020903022 525790434 /nfs/dbraw/zinc/79/04/34/525790434.db2.gz MQBMSQOGHKJZHX-VWLOTQADSA-N 0 0 435.955 4.768 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021855734 525791935 /nfs/dbraw/zinc/79/19/35/525791935.db2.gz ZFCXWZMKGGHLJL-SANMLTNESA-N 0 0 433.527 4.644 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034679900 525792329 /nfs/dbraw/zinc/79/23/29/525792329.db2.gz QLCGWIKKZDKAIE-UHFFFAOYSA-N 0 0 430.548 4.857 50 0 IJAARN Cc1ccc(-c2nc(CC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)cs2)cc1 ZINC000012575830 525804056 /nfs/dbraw/zinc/80/40/56/525804056.db2.gz RIGGHLHPNUSEGL-UHFFFAOYSA-N 0 0 448.617 4.615 50 0 IJAARN COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)sc3n2)c1 ZINC000021535973 525836417 /nfs/dbraw/zinc/83/64/17/525836417.db2.gz XFTLYPYMMXSRGV-UHFFFAOYSA-N 0 0 437.546 4.618 50 0 IJAARN C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1 ZINC000012549119 525884428 /nfs/dbraw/zinc/88/44/28/525884428.db2.gz GKGQDIODDXTADV-JTQLQIEISA-N 0 0 432.097 4.949 50 0 IJAARN C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1 ZINC000012549118 525889159 /nfs/dbraw/zinc/88/91/59/525889159.db2.gz GKGQDIODDXTADV-SNVBAGLBSA-N 0 0 432.097 4.949 50 0 IJAARN Cc1c([C@@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cnn1C ZINC000020615934 525892422 /nfs/dbraw/zinc/89/24/22/525892422.db2.gz ANBFFLLNFSVNIG-LLVKDONJSA-N 0 0 433.459 4.639 50 0 IJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCn2cnc3ccccc32)cc1 ZINC000011936896 525931574 /nfs/dbraw/zinc/93/15/74/525931574.db2.gz CKJCECDJDDIOMK-JOCHJYFZSA-N 0 0 427.552 4.750 50 0 IJAARN Cc1cn2c(nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc2=O)s1 ZINC000041085762 525941494 /nfs/dbraw/zinc/94/14/94/525941494.db2.gz LQWVGLWYXNBEOM-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cn2c(nc(CSc3nc4ccc(NC(=O)CC(C)C)cc4s3)cc2=O)s1 ZINC000020984332 525943524 /nfs/dbraw/zinc/94/35/24/525943524.db2.gz ZEJPGWNXAPBUGT-UHFFFAOYSA-N 0 0 444.607 4.951 50 0 IJAARN COc1cccc(CNC(=O)Nc2ccc(C)c(NC(=O)NCc3cccc(OC)c3)c2)c1 ZINC000022386098 525992386 /nfs/dbraw/zinc/99/23/86/525992386.db2.gz CXWWOCSNLYGFHI-UHFFFAOYSA-N 0 0 448.523 4.656 50 0 IJAARN Cc1c2cnn(CC(=O)Nc3c(C)cccc3C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000020417796 525996171 /nfs/dbraw/zinc/99/61/71/525996171.db2.gz HLLCXSWYZHTVHQ-UHFFFAOYSA-N 0 0 448.954 4.772 50 0 IJAARN C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012907826 526001997 /nfs/dbraw/zinc/00/19/97/526001997.db2.gz XVBQSTSDVWOZDQ-HNNXBMFYSA-N 0 0 447.564 4.938 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)c1nnc(-c2cccs2)o1 ZINC000009799443 526008027 /nfs/dbraw/zinc/00/80/27/526008027.db2.gz MEMGUFRDTZSTAG-MRVPVSSYSA-N 0 0 439.353 4.931 50 0 IJAARN COc1cccc(COc2cccc(-c3nc(C(=O)NCc4ccncc4)cs3)c2)c1 ZINC000034712903 526061167 /nfs/dbraw/zinc/06/11/67/526061167.db2.gz REXYEZMMXXXTHA-UHFFFAOYSA-N 0 0 431.517 4.723 50 0 IJAARN CSc1ccc2nc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)sc2c1 ZINC000012494963 526081252 /nfs/dbraw/zinc/08/12/52/526081252.db2.gz AQFJSYDSULXZDZ-UHFFFAOYSA-N 0 0 426.592 4.590 50 0 IJAARN Cc1ccc2c(CC(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccccn3)cc(=O)oc2c1 ZINC000012307817 526119956 /nfs/dbraw/zinc/11/99/56/526119956.db2.gz KMSZDGUKUUAADS-MUUNZHRXSA-N 0 0 449.510 4.695 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCCCC2)c2n1-c1ccccc1S[C@H](c1ccccn1)C2 ZINC000012152599 526125786 /nfs/dbraw/zinc/12/57/86/526125786.db2.gz FWDGFEFYAUOKBS-QHCPKHFHSA-N 0 0 431.561 4.557 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000012920148 526167892 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ZINC000001039757 526711317 /nfs/dbraw/zinc/71/13/17/526711317.db2.gz OKOLDVFHNINSAQ-UHFFFAOYSA-N 0 0 434.361 4.802 50 0 IJAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000032888530 526730193 /nfs/dbraw/zinc/73/01/93/526730193.db2.gz PMRLAGQZUFVPMB-UHFFFAOYSA-N 0 0 438.531 4.534 50 0 IJAARN O=C(c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1)N1CCCCC1 ZINC000035512274 526735736 /nfs/dbraw/zinc/73/57/36/526735736.db2.gz OPAPSJAAGDGZGR-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN Cc1oc(-c2ccccc2C)nc1CSc1nc2c(nc[nH]c2=O)n1-c1ccc(C)cc1 ZINC000012462147 526741660 /nfs/dbraw/zinc/74/16/60/526741660.db2.gz LXEWYMPPPMUOJG-UHFFFAOYSA-N 0 0 443.532 4.981 50 0 biogenic,in-vitro IJAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000035904251 526782669 /nfs/dbraw/zinc/78/26/69/526782669.db2.gz DUPFPXJVGHLGNX-UHFFFAOYSA-N 0 0 431.967 4.926 50 0 IJAARN O=C(NCc1ccncc1)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)n1 ZINC000036023637 526794765 /nfs/dbraw/zinc/79/47/65/526794765.db2.gz VTIVICJVXHOOCZ-UHFFFAOYSA-N 0 0 446.938 4.855 50 0 IJAARN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC000019644053 526829006 /nfs/dbraw/zinc/82/90/06/526829006.db2.gz UAALUMMFBXNDPR-UHFFFAOYSA-N 0 0 445.906 4.746 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H]1Cc2c(c(-c3ccncc3)ccc2F)O1 ZINC000011995488 526847609 /nfs/dbraw/zinc/84/76/09/526847609.db2.gz UTMILBQMCFVKAG-SFHVURJKSA-N 0 0 429.451 4.585 50 0 IJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012926278 526855274 /nfs/dbraw/zinc/85/52/74/526855274.db2.gz MZWUUGXVFZQCNG-UHFFFAOYSA-N 0 0 448.375 4.739 50 0 IJAARN NC(=O)C1CCN(c2ccc3cccc(OCc4cccc(C(F)(F)F)c4)c3n2)CC1 ZINC000017170697 526857938 /nfs/dbraw/zinc/85/79/38/526857938.db2.gz BCPGHWRFZYRRPR-UHFFFAOYSA-N 0 0 429.442 4.534 50 0 IJAARN O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N(Cc1ccccc1)CC1CCC1 ZINC000012702771 526865203 /nfs/dbraw/zinc/86/52/03/526865203.db2.gz CXSYLWKNVVTXEW-UHFFFAOYSA-N 0 0 428.458 4.788 50 0 IJAARN 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O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012759808 527164669 /nfs/dbraw/zinc/16/46/69/527164669.db2.gz ZWLAUTATJLTRAB-AQTBWJFISA-N 0 0 425.370 4.589 50 0 IJAARN Cn1cc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2c(F)cccc2Cl)cn1 ZINC000012837021 527183535 /nfs/dbraw/zinc/18/35/35/527183535.db2.gz YCSCGTMNFKSUEM-XMMPIXPASA-N 0 0 436.918 4.801 50 0 IJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012799961 527197914 /nfs/dbraw/zinc/19/79/14/527197914.db2.gz HYECQVWOHREPQN-UHFFFAOYSA-N 0 0 435.332 4.975 50 0 IJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)c1C ZINC000033122129 527204964 /nfs/dbraw/zinc/20/49/64/527204964.db2.gz TXBOYSZVVKEAIN-UHFFFAOYSA-N 0 0 426.452 4.815 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)s1 ZINC000035512002 527206221 /nfs/dbraw/zinc/20/62/21/527206221.db2.gz ZEVSZNDOUAQQHQ-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN Cc1nc2sc([C@H](c3cccc(Br)c3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000022626444 527206699 /nfs/dbraw/zinc/20/66/99/527206699.db2.gz WYPPPDHNUJGYLT-HSMVNMDESA-N 0 0 435.391 4.635 50 0 IJAARN Cc1nc2sc([C@H](c3cccc(Br)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022626456 527207221 /nfs/dbraw/zinc/20/72/21/527207221.db2.gz WYPPPDHNUJGYLT-MKBNYLNASA-N 0 0 435.391 4.635 50 0 IJAARN O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034927422 527209231 /nfs/dbraw/zinc/20/92/31/527209231.db2.gz SFRFXBSPBVEHNJ-UHFFFAOYSA-N 0 0 437.899 4.722 50 0 IJAARN O=S(=O)(NCCOc1ccccc1Cl)c1ccc(Br)c2ccccc21 ZINC000012360204 527217640 /nfs/dbraw/zinc/21/76/40/527217640.db2.gz BCFMPTSZKYQOBP-UHFFFAOYSA-N 0 0 440.746 4.613 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000012292980 527255277 /nfs/dbraw/zinc/25/52/77/527255277.db2.gz VVGUEFJRDZQXRM-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN O=S(=O)(c1cccc(F)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000012361562 527285125 /nfs/dbraw/zinc/28/51/25/527285125.db2.gz XWRCPTFVUZAFKN-IBGZPJMESA-N 0 0 425.312 4.728 50 0 IJAARN O=C(Cc1cccs1)NC[C@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1 ZINC000020599029 527303271 /nfs/dbraw/zinc/30/32/71/527303271.db2.gz RMNCRLBXXBZTJF-GOSISDBHSA-N 0 0 435.520 4.809 50 0 IJAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1nc2ccccc2s1 ZINC000012444163 527337912 /nfs/dbraw/zinc/33/79/12/527337912.db2.gz QPQTYJBLDWQYEZ-UHFFFAOYSA-N 0 0 425.560 4.909 50 0 IJAARN O=C(Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1)Nc1ccccc1F ZINC000033068281 527367683 /nfs/dbraw/zinc/36/76/83/527367683.db2.gz AFIFPZCANAMYJN-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN O=C(Cn1ccc2cc(Br)ccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000020733068 527379251 /nfs/dbraw/zinc/37/92/51/527379251.db2.gz CRUYLWJNSSHVCP-UHFFFAOYSA-N 0 0 447.760 4.567 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)OCCOc2c(Cl)cccc2Cl)CC1 ZINC000021179286 527392048 /nfs/dbraw/zinc/39/20/48/527392048.db2.gz CKRCXBDQULQYJH-UHFFFAOYSA-N 0 0 437.323 4.860 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4cccs4)nc3sc2c1=O)Nc1cccc(F)c1 ZINC000033284012 527400201 /nfs/dbraw/zinc/40/02/01/527400201.db2.gz DYKYUBAQISMMRX-UHFFFAOYSA-N 0 0 436.493 4.513 50 0 IJAARN O=C(Nc1ccccc1N1CCOCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000001096038 527427086 /nfs/dbraw/zinc/42/70/86/527427086.db2.gz USXYDSVEHYNFAE-UHFFFAOYSA-N 0 0 426.472 4.549 50 0 IJAARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001096051 527462684 /nfs/dbraw/zinc/46/26/84/527462684.db2.gz CTXLNJUJQXDPMK-UHFFFAOYSA-N 0 0 441.940 4.563 50 0 aggregator IJAARN Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1cccc(F)c1 ZINC000012604028 527463054 /nfs/dbraw/zinc/46/30/54/527463054.db2.gz SUJKNAIRZZLGMT-HXUWFJFHSA-N 0 0 440.931 4.784 50 0 IJAARN O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)nc2sc3c(n21)CCCC3 ZINC000021368968 527481611 /nfs/dbraw/zinc/48/16/11/527481611.db2.gz PHRTUGSJVNYDRG-UHFFFAOYSA-N 0 0 430.942 4.631 50 0 IJAARN O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986277 527512219 /nfs/dbraw/zinc/51/22/19/527512219.db2.gz GIRLRCHHYNKZIL-UHFFFAOYSA-N 0 0 435.593 4.993 50 0 IJAARN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1ccc2c(c1)OCC(=O)N2 ZINC000012757265 527519712 /nfs/dbraw/zinc/51/97/12/527519712.db2.gz WIEDOLRCUULYRM-UHFFFAOYSA-N 0 0 434.304 4.624 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000021531111 527519767 /nfs/dbraw/zinc/51/97/67/527519767.db2.gz AQDYMSNXNCCMEA-UHFFFAOYSA-N 0 0 442.563 4.940 50 0 IJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(-n4cc(Cl)cn4)cc3)sc21 ZINC000020617041 527551072 /nfs/dbraw/zinc/55/10/72/527551072.db2.gz OUWPRMKKPVXSPF-UHFFFAOYSA-N 0 0 425.823 4.745 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)c12 ZINC000036616548 527555065 /nfs/dbraw/zinc/55/50/65/527555065.db2.gz PWKWUGQRBDZXKY-UHFFFAOYSA-N 0 0 436.519 4.843 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc12 ZINC000033037407 527556744 /nfs/dbraw/zinc/55/67/44/527556744.db2.gz RVSADRFBORBYCQ-INIZCTEOSA-N 0 0 441.516 4.966 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(F)c1F)SCC(=O)N2 ZINC000020891292 527573096 /nfs/dbraw/zinc/57/30/96/527573096.db2.gz FDORGNSGPCEPRE-SFHVURJKSA-N 0 0 428.489 4.843 50 0 IJAARN O[C@@H](COc1ccccc1)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000012543988 527662649 /nfs/dbraw/zinc/66/26/49/527662649.db2.gz LIQFRVVQZWSOPS-IBGZPJMESA-N 0 0 438.940 4.515 50 0 IJAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@@H](OCc4ccccc4)C3)n2)c1 ZINC000012297534 527685840 /nfs/dbraw/zinc/68/58/40/527685840.db2.gz DMTNHJJYJGBAMJ-HXUWFJFHSA-N 0 0 431.458 4.860 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000008642527 535092673 /nfs/dbraw/zinc/09/26/73/535092673.db2.gz RHCINXONPOSNOD-UHFFFAOYSA-N 0 0 436.581 4.540 50 0 IJAARN C=C1C(N2CCN(c3cc(C)ccc3C)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009251844 535238438 /nfs/dbraw/zinc/23/84/38/535238438.db2.gz WQMZZNOOMQBXSQ-UHFFFAOYSA-N 0 0 437.609 4.722 50 0 IJAARN CC1CCN(c2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)cc2)CC1 ZINC000009416117 535286443 /nfs/dbraw/zinc/28/64/43/535286443.db2.gz UTSWCCVBTRLGKO-UHFFFAOYSA-N 0 0 448.596 4.642 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4CCCc5ccccc54)n3c2c1 ZINC000009221256 536963862 /nfs/dbraw/zinc/96/38/62/536963862.db2.gz ACSJIZFPSLICEZ-MRXNPFEDSA-N 0 0 432.549 4.660 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cc(C)ccc2C)CC1 ZINC000003063557 536970041 /nfs/dbraw/zinc/97/00/41/536970041.db2.gz XKUFIENFLQNPQI-UHFFFAOYSA-N 0 0 441.579 4.965 50 0 IJAARN COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000008782268 537063166 /nfs/dbraw/zinc/06/31/66/537063166.db2.gz XSNFSKAUNKPMCR-DTQAZKPQSA-N 0 0 428.532 4.636 50 0 IJAARN COC(=O)C1C(C)=Nc2nc3cc(C)c(C)cc3n2[C@H]1c1cccc(Br)c1 ZINC000000628953 555514080 /nfs/dbraw/zinc/51/40/80/555514080.db2.gz PYPZXWVDLJAFHU-IBGZPJMESA-N 0 0 426.314 4.878 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000000642507 555518963 /nfs/dbraw/zinc/51/89/63/555518963.db2.gz VWGXKEGJMJSWJN-UHFFFAOYSA-N 0 0 440.572 4.599 50 0 IJAARN O=C(C(Cc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21)N1CCc2ccccc21 ZINC000000642486 555519059 /nfs/dbraw/zinc/51/90/59/555519059.db2.gz AUELYORVVYFZRG-UHFFFAOYSA-N 0 0 430.935 4.677 50 0 IJAARN COc1cc(OC)c(-c2noc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c(OC)c1 ZINC000000643685 555519621 /nfs/dbraw/zinc/51/96/21/555519621.db2.gz ICVKRPVMCSBPBW-UHFFFAOYSA-N 0 0 443.455 4.829 50 0 IJAARN CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 ZINC000000647510 555521673 /nfs/dbraw/zinc/52/16/73/555521673.db2.gz ILTOYOLVORVDRQ-UKRRQHHQSA-N 0 0 445.283 4.692 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2)N1CCCC1 ZINC000000674993 555534066 /nfs/dbraw/zinc/53/40/66/555534066.db2.gz IHEGGJMSSCMLQU-UKRRQHHQSA-N 0 0 443.267 4.542 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000000676594 555534880 /nfs/dbraw/zinc/53/48/80/555534880.db2.gz KMFFHJMLBZIYTK-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ncc(C)s1 ZINC000000686601 555539751 /nfs/dbraw/zinc/53/97/51/555539751.db2.gz VMZKXZQFECJGKK-UHFFFAOYSA-N 0 0 445.614 4.805 50 0 IJAARN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 ZINC000000686604 555540033 /nfs/dbraw/zinc/54/00/33/555540033.db2.gz KMKYZLRHLPWCLG-UHFFFAOYSA-N 0 0 428.533 4.696 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000000686817 555540102 /nfs/dbraw/zinc/54/01/02/555540102.db2.gz LQDCDEBFSZDHCJ-UHFFFAOYSA-N 0 0 438.549 4.663 50 0 IJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(I)cc1 ZINC000000686962 555540142 /nfs/dbraw/zinc/54/01/42/555540142.db2.gz OUQFGBVXSSGWQZ-UHFFFAOYSA-N 0 0 437.668 4.691 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000687585 555540723 /nfs/dbraw/zinc/54/07/23/555540723.db2.gz ASRMESKZNANELH-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN COc1ccc(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nc3ccccc32)cc1 ZINC000000695940 555542520 /nfs/dbraw/zinc/54/25/20/555542520.db2.gz ZCAOQURGDVFSEA-UHFFFAOYSA-N 0 0 428.488 4.858 50 0 IJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1cccc(Cl)c1 ZINC000000703698 555544015 /nfs/dbraw/zinc/54/40/15/555544015.db2.gz IRWANHNBYISLMX-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000707044 555544978 /nfs/dbraw/zinc/54/49/78/555544978.db2.gz ATXPZNHTLLXAKT-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN CCOc1ccc(NC(=O)c2c(NC(=O)COc3ccccc3)sc3c2CCC3)cc1 ZINC000000716648 555548766 /nfs/dbraw/zinc/54/87/66/555548766.db2.gz DRSVBIPKUVQUKH-UHFFFAOYSA-N 0 0 436.533 4.905 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000000720750 555549978 /nfs/dbraw/zinc/54/99/78/555549978.db2.gz NDXGAVFCTCHOCE-RPWUZVMVSA-N 0 0 431.488 4.798 50 0 IJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 ZINC000000724981 555551390 /nfs/dbraw/zinc/55/13/90/555551390.db2.gz PQMPBUQTNRRTJA-UHFFFAOYSA-N 0 0 431.989 4.520 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1c(NC(=O)c2cccc3ccccc32)sc2c1CCCC2 ZINC000000730338 555552931 /nfs/dbraw/zinc/55/29/31/555552931.db2.gz VRARLFGGKLOWAN-KRWDZBQOSA-N 0 0 434.561 4.941 50 0 IJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1Br ZINC000000781477 555555142 /nfs/dbraw/zinc/55/51/42/555555142.db2.gz LJRGXZXJRYSIEN-UHFFFAOYSA-N 0 0 445.386 4.691 50 0 IJAARN COc1ccccc1NC(=O)c1sc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1C ZINC000000791232 555557141 /nfs/dbraw/zinc/55/71/41/555557141.db2.gz LQTPXMVFFMBGCQ-UHFFFAOYSA-N 0 0 439.924 4.729 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000000799820 555558979 /nfs/dbraw/zinc/55/89/79/555558979.db2.gz SOJFQNLCWTYHOU-INIZCTEOSA-N 0 0 436.762 4.534 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000000829558 555565976 /nfs/dbraw/zinc/56/59/76/555565976.db2.gz YNQCXSMSMTZTRH-UHFFFAOYSA-N 0 0 426.807 4.653 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000000844563 555569004 /nfs/dbraw/zinc/56/90/04/555569004.db2.gz QXKFCVZURABKTG-VWLOTQADSA-N 0 0 442.515 4.679 50 0 IJAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 ZINC000000844562 555569039 /nfs/dbraw/zinc/56/90/39/555569039.db2.gz QXKFCVZURABKTG-RUZDIDTESA-N 0 0 442.515 4.679 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000000853239 555570651 /nfs/dbraw/zinc/57/06/51/555570651.db2.gz FQTVGDUWNKXDGF-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN CC(C)(C)NC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865661 555573582 /nfs/dbraw/zinc/57/35/82/555573582.db2.gz AJWKUUPOJWIAIL-NWDGAFQWSA-N 0 0 445.283 4.834 50 0 IJAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCC1 ZINC000000867000 555574292 /nfs/dbraw/zinc/57/42/92/555574292.db2.gz GQJCCKXYLLGXOA-ZIAGYGMSSA-N 0 0 430.833 4.962 50 0 IJAARN O=C(NCc1ccco1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866994 555574329 /nfs/dbraw/zinc/57/43/29/555574329.db2.gz SEVFEQHVMKODQT-ZIAGYGMSSA-N 0 0 442.800 4.859 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(CNc3ccccc3Cl)n2CC)cc1 ZINC000000877924 555576448 /nfs/dbraw/zinc/57/64/48/555576448.db2.gz DKYYSNKOOMWZOE-UHFFFAOYSA-N 0 0 445.976 4.693 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000009495985 555576828 /nfs/dbraw/zinc/57/68/28/555576828.db2.gz GSLHBWFSJAVTII-GQCTYLIASA-N 0 0 425.834 4.974 50 0 IJAARN CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000000941304 555587018 /nfs/dbraw/zinc/58/70/18/555587018.db2.gz GKIXNCMBZZUZEB-UHFFFAOYSA-N 0 0 439.682 4.606 50 0 IJAARN COc1ccccc1-c1coc2cc(O[C@@H](C)C(=O)OCc3ccccc3)ccc2c1=O ZINC000000942666 555587426 /nfs/dbraw/zinc/58/74/26/555587426.db2.gz IEUADZUOWWWUAQ-KRWDZBQOSA-N 0 0 430.456 4.979 50 0 biogenic IJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(Br)c3)cc2)cc1 ZINC000000957961 555590625 /nfs/dbraw/zinc/59/06/25/555590625.db2.gz DUPDDAJFCAGAIG-UHFFFAOYSA-N 0 0 440.293 4.994 50 0 IJAARN O=C1S/C(=C\c2ccccc2)C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000974962 555592120 /nfs/dbraw/zinc/59/21/20/555592120.db2.gz JJTLVOAJHVEQNZ-PVFDWLMNSA-N 0 0 428.513 4.892 50 0 IJAARN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000000976968 555592581 /nfs/dbraw/zinc/59/25/81/555592581.db2.gz LUKCIQSAFOHUOH-UHFFFAOYSA-N 0 0 449.502 4.968 50 0 IJAARN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(N(C)C)cc1 ZINC000000980568 555593364 /nfs/dbraw/zinc/59/33/64/555593364.db2.gz GLLIQWNJWSMNDI-UHFFFAOYSA-N 0 0 442.151 4.604 50 0 IJAARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000000980801 555593394 /nfs/dbraw/zinc/59/33/94/555593394.db2.gz STOZPSSOEAUYBQ-HYARGMPZSA-N 0 0 446.478 4.896 50 0 IJAARN COC(=O)c1cc(OC(=O)c2cccnc2Cl)c2c(c1)Oc1nc3ccccc3nc1O2 ZINC000000983993 555594237 /nfs/dbraw/zinc/59/42/37/555594237.db2.gz ZUOQMGSRCKLJJC-UHFFFAOYSA-N 0 0 449.806 4.582 50 0 IJAARN Cc1cc(Br)cc2c(C(=O)NC[C@H]3CCCO3)cc(-c3cccs3)nc12 ZINC000000993385 555597726 /nfs/dbraw/zinc/59/77/26/555597726.db2.gz NTYXBURNBUVSBD-CQSZACIVSA-N 0 0 431.355 4.943 50 0 IJAARN CC(C)(C)NC(=O)c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000997681 555599318 /nfs/dbraw/zinc/59/93/18/555599318.db2.gz CKRAOUQEYXVOFK-UHFFFAOYSA-N 0 0 441.251 4.706 50 0 IJAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(OC)c1OCc1cccc(F)c1 ZINC000000997530 555599332 /nfs/dbraw/zinc/59/93/32/555599332.db2.gz KRWQFFFCQCEBBS-YVLHZVERSA-N 0 0 439.464 4.828 50 0 IJAARN CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000997733 555599360 /nfs/dbraw/zinc/59/93/60/555599360.db2.gz YKHKTLCRVOYABB-SNVBAGLBSA-N 0 0 441.251 4.706 50 0 IJAARN OC(c1ccccc1)=C1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000001006714 555601061 /nfs/dbraw/zinc/60/10/61/555601061.db2.gz LCRRTWPSNJMRPX-QHCPKHFHSA-N 0 0 426.501 4.844 50 0 IJAARN CCOc1ccc([C@H]2C(C(=O)OC)=C(Nc3ccc(C)cc3)C=C(C)[C@H]2C(=O)OC)cc1 ZINC000001019508 555603391 /nfs/dbraw/zinc/60/33/91/555603391.db2.gz WGCMAJCJJWEHFZ-DHIUTWEWSA-N 0 0 435.520 4.766 50 0 IJAARN O=S(=O)(CCSc1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000001038424 555609138 /nfs/dbraw/zinc/60/91/38/555609138.db2.gz XOCDDLPSKHQMFU-UHFFFAOYSA-N 0 0 431.379 4.565 50 0 IJAARN COC(=O)c1sccc1-c1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)o1 ZINC000001039456 555609399 /nfs/dbraw/zinc/60/93/99/555609399.db2.gz QNDSZXOZTORAFP-UHFFFAOYSA-N 0 0 448.909 4.549 50 0 IJAARN COc1cc(OC)cc(-c2nc3sc(-c4ccc(OC)c(OC)c4)c(C)c3c(N)n2)c1 ZINC000001048081 555611769 /nfs/dbraw/zinc/61/17/69/555611769.db2.gz QEEOTZDNPMEFRT-UHFFFAOYSA-N 0 0 437.521 4.950 50 0 IJAARN Fc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1 ZINC000001060011 555615782 /nfs/dbraw/zinc/61/57/82/555615782.db2.gz HTJYHALJFVSQTD-UHFFFAOYSA-N 0 0 436.497 4.872 50 0 IJAARN CC(C)C[C@H](c1nc2c3c4c(sc3ncn2n1)CCCC4)N1C(=O)c2ccccc2C1=O ZINC000001061882 555616719 /nfs/dbraw/zinc/61/67/19/555616719.db2.gz GDEZANJLINCVFP-QGZVFWFLSA-N 0 0 445.548 4.601 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1)c1ccccc1 ZINC000001063108 555616963 /nfs/dbraw/zinc/61/69/63/555616963.db2.gz BWLXZVAGDLAKBY-KRWDZBQOSA-N 0 0 430.533 4.609 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)cc1OC ZINC000001068339 555619654 /nfs/dbraw/zinc/61/96/54/555619654.db2.gz ZUBMNRRGZBXARW-UHFFFAOYSA-N 0 0 447.922 4.940 50 0 IJAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)o4)cc3n2)cc1 ZINC000001069713 555620630 /nfs/dbraw/zinc/62/06/30/555620630.db2.gz FMDIUQKGMRSICX-UHFFFAOYSA-N 0 0 425.286 4.899 50 0 IJAARN COc1cc(C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000001071769 555621480 /nfs/dbraw/zinc/62/14/80/555621480.db2.gz ITKLFGBCLKZFHH-UHFFFAOYSA-N 0 0 426.310 4.967 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3ccccc3c2=O)cc1 ZINC000001088892 555627169 /nfs/dbraw/zinc/62/71/69/555627169.db2.gz BAQJEULMBWFHBN-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2F)cc1 ZINC000001088885 555627252 /nfs/dbraw/zinc/62/72/52/555627252.db2.gz VALKCROBEMCRFJ-UHFFFAOYSA-N 0 0 449.507 4.654 50 0 IJAARN O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000001100369 555628761 /nfs/dbraw/zinc/62/87/61/555628761.db2.gz DNXZRRNFKOZYMM-UHFFFAOYSA-N 0 0 428.941 4.643 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001113788 555633262 /nfs/dbraw/zinc/63/32/62/555633262.db2.gz PYWIXGIPEKTBAV-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccc(Cl)cc2)cc1 ZINC000001114124 555633475 /nfs/dbraw/zinc/63/34/75/555633475.db2.gz HVKBZAWZDMOWAX-UHFFFAOYSA-N 0 0 444.988 4.947 50 0 IJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000001114399 555633545 /nfs/dbraw/zinc/63/35/45/555633545.db2.gz NSMZZIOFYWVAKZ-ZJUUUORDSA-N 0 0 427.353 4.685 50 0 IJAARN COc1ccc2nc(S[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)nc(C)c2c1 ZINC000001115322 555634016 /nfs/dbraw/zinc/63/40/16/555634016.db2.gz CKVYTCFWQSYERP-NRFANRHFSA-N 0 0 429.501 4.524 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1 ZINC000001115722 555634265 /nfs/dbraw/zinc/63/42/65/555634265.db2.gz HZWBLWZIAVYCEI-UHFFFAOYSA-N 0 0 434.308 4.729 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)c1 ZINC000001116375 555634615 /nfs/dbraw/zinc/63/46/15/555634615.db2.gz CAYVKXHSORFNIP-UHFFFAOYSA-N 0 0 432.505 4.900 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2C)c1 ZINC000001119132 555636434 /nfs/dbraw/zinc/63/64/34/555636434.db2.gz QQHYZXUEKRSVRL-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)c(C)c1 ZINC000001120150 555637231 /nfs/dbraw/zinc/63/72/31/555637231.db2.gz HMZLKQXOYLQPPE-UHFFFAOYSA-N 0 0 438.549 4.739 50 0 IJAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000001120229 555637281 /nfs/dbraw/zinc/63/72/81/555637281.db2.gz QWNWBKAXWXYALJ-UHFFFAOYSA-N 0 0 442.684 4.791 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001121847 555638481 /nfs/dbraw/zinc/63/84/81/555638481.db2.gz ZXZIZNYLXCOBAM-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN C[C@@]1(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)Cc2ccccc2C(=O)O1 ZINC000001123262 555639033 /nfs/dbraw/zinc/63/90/33/555639033.db2.gz RVTOUUPDAZHNCC-NRFANRHFSA-N 0 0 446.450 4.863 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1OC ZINC000001123755 555639317 /nfs/dbraw/zinc/63/93/17/555639317.db2.gz SRSWTGWXTZDMAO-XBXARRHUSA-N 0 0 443.668 4.614 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 ZINC000001125000 555640174 /nfs/dbraw/zinc/64/01/74/555640174.db2.gz SZZUZUGWVFPPIQ-SDNWHVSQSA-N 0 0 432.476 4.617 50 0 IJAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000001125070 555640207 /nfs/dbraw/zinc/64/02/07/555640207.db2.gz LXXDWJOXGOTANA-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)S(C)(=O)=O)cc1C ZINC000001131937 555645079 /nfs/dbraw/zinc/64/50/79/555645079.db2.gz CCESFISCQYCRQD-UHFFFAOYSA-N 0 0 426.513 4.661 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000001133600 555646065 /nfs/dbraw/zinc/64/60/65/555646065.db2.gz MRNOCZJICCRIIA-UHFFFAOYSA-N 0 0 434.989 4.683 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccccc2)cc1 ZINC000001139831 555649422 /nfs/dbraw/zinc/64/94/22/555649422.db2.gz PCDBEGKLERKQOE-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(Cn3nc(C)c(Cl)c3C)c1)CCC2 ZINC000001142573 555650947 /nfs/dbraw/zinc/65/09/47/555650947.db2.gz XKKCZTGQSHDFKE-UHFFFAOYSA-N 0 0 443.956 4.791 50 0 IJAARN Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000001146047 555653615 /nfs/dbraw/zinc/65/36/15/555653615.db2.gz ZFKCRBOCQGEAHL-UHFFFAOYSA-N 0 0 446.313 4.880 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)cc1 ZINC000001146682 555653839 /nfs/dbraw/zinc/65/38/39/555653839.db2.gz AAXQCNJZTZXIBN-UHFFFAOYSA-N 0 0 442.562 4.535 50 0 IJAARN O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001147650 555654354 /nfs/dbraw/zinc/65/43/54/555654354.db2.gz OTMYWXKOBTZZMB-LICLKQGHSA-N 0 0 432.545 4.790 50 0 IJAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)c1 ZINC000001148955 555655291 /nfs/dbraw/zinc/65/52/91/555655291.db2.gz PUSMSAHDATWLJZ-UHFFFAOYSA-N 0 0 447.560 4.987 50 0 IJAARN C[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001150886 555656372 /nfs/dbraw/zinc/65/63/72/555656372.db2.gz XGBBXCOWJXDVCA-GOSISDBHSA-N 0 0 440.590 4.772 50 0 IJAARN O=C(N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000001152183 555656942 /nfs/dbraw/zinc/65/69/42/555656942.db2.gz QDYLAOPXOMZIOU-SNVBAGLBSA-N 0 0 448.622 4.711 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1C ZINC000001152483 555656976 /nfs/dbraw/zinc/65/69/76/555656976.db2.gz SWFFXGJMANDAJQ-QHCPKHFHSA-N 0 0 431.561 4.897 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2c(Cl)cccc2Cl)cc1 ZINC000001158100 555660137 /nfs/dbraw/zinc/66/01/37/555660137.db2.gz QAUZTYLIMUNJFD-SFHVURJKSA-N 0 0 436.364 4.824 50 0 IJAARN CCOC(=O)[C@]1(C=C(O)c2ccc(F)cc2)C(=O)Oc2ccccc2[C@H]1c1ccccc1 ZINC000001158458 555660535 /nfs/dbraw/zinc/66/05/35/555660535.db2.gz XDNIGSIBLAUGCL-ZEQKJWHPSA-N 0 0 432.447 4.699 50 0 IJAARN Cc1oc2c(C)c(OC(=O)N3CCOCC3)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001159798 555661142 /nfs/dbraw/zinc/66/11/42/555661142.db2.gz QSXZMFSGTOGJSS-UHFFFAOYSA-N 0 0 436.489 4.518 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 ZINC000001160131 555661162 /nfs/dbraw/zinc/66/11/62/555661162.db2.gz LASOUKDWMDXYFN-VFADXPBXSA-N 0 0 431.315 4.850 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C2CCCCC2)cc1 ZINC000001161598 555662126 /nfs/dbraw/zinc/66/21/26/555662126.db2.gz CCSJBJGFPPKGRF-UHFFFAOYSA-N 0 0 438.952 4.750 50 0 IJAARN CSc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000001163423 555662959 /nfs/dbraw/zinc/66/29/59/555662959.db2.gz FHMXCVDFTGIAKT-UHFFFAOYSA-N 0 0 436.574 4.510 50 0 IJAARN Cc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000001163470 555662976 /nfs/dbraw/zinc/66/29/76/555662976.db2.gz SJANNUSBKWTZCG-UHFFFAOYSA-N 0 0 434.989 4.919 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)Cc2ccc(F)cc2)cc1 ZINC000001163924 555663324 /nfs/dbraw/zinc/66/33/24/555663324.db2.gz ROEVAGGDGIBXBV-UHFFFAOYSA-N 0 0 440.540 4.581 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000001171408 555667006 /nfs/dbraw/zinc/66/70/06/555667006.db2.gz PVVOCUUQMNOYLR-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000001172615 555667933 /nfs/dbraw/zinc/66/79/33/555667933.db2.gz VDRRQIARXLXNJD-UHFFFAOYSA-N 0 0 444.553 4.690 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000001173219 555668110 /nfs/dbraw/zinc/66/81/10/555668110.db2.gz RRSWUEBLRVVEKR-UHFFFAOYSA-N 0 0 433.249 4.603 50 0 IJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)COc3cccc(C)c3)c(Cl)c2)c1 ZINC000001175864 555669682 /nfs/dbraw/zinc/66/96/82/555669682.db2.gz AUSGRMUIIJWUHX-UHFFFAOYSA-N 0 0 438.911 4.992 50 0 IJAARN CCc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000001183375 555673132 /nfs/dbraw/zinc/67/31/32/555673132.db2.gz VZFRPZFAFYKUQN-UHFFFAOYSA-N 0 0 444.725 4.634 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2c1CCC2 ZINC000001200006 555678197 /nfs/dbraw/zinc/67/81/97/555678197.db2.gz AITNVZKCOHMAHB-UHFFFAOYSA-N 0 0 447.553 4.862 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3n2)cc1 ZINC000001216349 555683987 /nfs/dbraw/zinc/68/39/87/555683987.db2.gz UBVXRTKRLKTFSK-UHFFFAOYSA-N 0 0 442.397 4.690 50 0 IJAARN O=C(Cc1ccccc1)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001232899 555686797 /nfs/dbraw/zinc/68/67/97/555686797.db2.gz UVGIHQWBAFAVPG-HNNXBMFYSA-N 0 0 437.548 4.883 50 0 IJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001413809 555694626 /nfs/dbraw/zinc/69/46/26/555694626.db2.gz ZFPDTACDXPYGHB-UHFFFAOYSA-N 0 0 436.558 4.993 50 0 IJAARN COc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000001436738 555696865 /nfs/dbraw/zinc/69/68/65/555696865.db2.gz CTZTVEDKZURXHC-QFIPXVFZSA-N 0 0 429.476 4.515 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000001442340 555697889 /nfs/dbraw/zinc/69/78/89/555697889.db2.gz ZYWASLYFWPBFRS-JOCHJYFZSA-N 0 0 431.467 4.500 50 0 IJAARN O=C(NCCSCc1cc2cccc3c2n(c1=O)CCC3)c1ccc(C(F)(F)F)cc1 ZINC000001741376 555711502 /nfs/dbraw/zinc/71/15/02/555711502.db2.gz QKXCECGRZIWDIA-UHFFFAOYSA-N 0 0 446.494 4.630 50 0 IJAARN O=C(c1ccccc1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F ZINC000001779645 555714590 /nfs/dbraw/zinc/71/45/90/555714590.db2.gz SPWRKCPCUMOASI-UHFFFAOYSA-N 0 0 434.442 4.688 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000001800970 555717025 /nfs/dbraw/zinc/71/70/25/555717025.db2.gz PKTOJLSWPYYGDJ-UHFFFAOYSA-N 0 0 425.293 4.939 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889601 555725820 /nfs/dbraw/zinc/72/58/20/555725820.db2.gz MZPUCSTZULZHKM-SFHVURJKSA-N 0 0 443.956 4.657 50 0 IJAARN O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002054575 555729778 /nfs/dbraw/zinc/72/97/78/555729778.db2.gz LLVLNRUZGRHBMP-UHFFFAOYSA-N 0 0 448.566 4.883 50 0 IJAARN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1ccccc1 ZINC000002072181 555735167 /nfs/dbraw/zinc/73/51/67/555735167.db2.gz ZOJMVSUSXMEFRM-UHFFFAOYSA-N 0 0 435.475 4.660 50 0 IJAARN CCOC(=O)C1=C(N)Oc2ccc3cc(Br)ccc3c2[C@H]1c1ccc(F)cc1 ZINC000002154083 555750223 /nfs/dbraw/zinc/75/02/23/555750223.db2.gz NAYSCBMQWMBQLQ-GOSISDBHSA-N 0 0 442.284 4.999 50 0 IJAARN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000002182822 555754240 /nfs/dbraw/zinc/75/42/40/555754240.db2.gz SHNZSZZHFNZHMO-ABBNRAPFSA-N 0 0 448.591 4.936 50 0 IJAARN COc1ccccc1-n1c2nnc(S)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002279945 555765355 /nfs/dbraw/zinc/76/53/55/555765355.db2.gz LGSGNWVADZDHJA-UHFFFAOYSA-N 0 0 444.560 4.603 50 0 IJAARN CCOC(=O)c1c2nc3ccccc3nc2n(-c2ccccc2C)c1NC(=O)c1ccco1 ZINC000002287263 555765534 /nfs/dbraw/zinc/76/55/34/555765534.db2.gz UMSLVPCKSKHSMB-UHFFFAOYSA-N 0 0 440.459 4.904 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CN(Cc2cccs2)c2nc3ccccc3nc21 ZINC000002328842 555769328 /nfs/dbraw/zinc/76/93/28/555769328.db2.gz VKAFREJVQIXLTL-UHFFFAOYSA-N 0 0 442.953 4.518 50 0 IJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002360455 555772068 /nfs/dbraw/zinc/77/20/68/555772068.db2.gz ICANMQWYZXZTIL-KRWDZBQOSA-N 0 0 444.564 4.969 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)c1C ZINC000002364657 555772369 /nfs/dbraw/zinc/77/23/69/555772369.db2.gz NCGCOCOGPMKPDK-UHFFFAOYSA-N 0 0 448.548 4.846 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1cccc2ccccc21 ZINC000002379360 555774040 /nfs/dbraw/zinc/77/40/40/555774040.db2.gz KTDYLQMEWABELH-UHFFFAOYSA-N 0 0 441.516 4.865 50 0 IJAARN C[C@H](c1ccccc1)n1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 ZINC000002383902 555774614 /nfs/dbraw/zinc/77/46/14/555774614.db2.gz MGZBOPZCRWEPKC-OAHLLOKOSA-N 0 0 427.533 4.768 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1Cl ZINC000002389635 555775226 /nfs/dbraw/zinc/77/52/26/555775226.db2.gz HXKGVCPXJLPAFM-UHFFFAOYSA-N 0 0 444.900 4.572 50 0 IJAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002420777 555777683 /nfs/dbraw/zinc/77/76/83/555777683.db2.gz TUCIOZXOPFXYTB-FQEVSTJZSA-N 0 0 447.516 4.800 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 ZINC000002442518 555779400 /nfs/dbraw/zinc/77/94/00/555779400.db2.gz ILNKPIGEEHVPCY-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002443628 555779915 /nfs/dbraw/zinc/77/99/15/555779915.db2.gz KIRORDCTGUYLRZ-UHFFFAOYSA-N 0 0 434.924 4.709 50 0 IJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc5c(c4)OCO5)cc3N2)cc1 ZINC000002474744 555783517 /nfs/dbraw/zinc/78/35/17/555783517.db2.gz MJVVBWQZFWJWOP-BEFAXECRSA-N 0 0 444.413 4.833 50 0 IJAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002477893 555783520 /nfs/dbraw/zinc/78/35/20/555783520.db2.gz GQDFMPMSQWOYQY-UHFFFAOYSA-N 0 0 437.834 4.909 50 0 IJAARN CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002503256 555784763 /nfs/dbraw/zinc/78/47/63/555784763.db2.gz FKIKPHXCICSLMJ-UHFFFAOYSA-N 0 0 435.325 4.670 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000002625386 555790090 /nfs/dbraw/zinc/79/00/90/555790090.db2.gz BYRPHFHXZFBCPX-UHFFFAOYSA-N 0 0 435.940 4.773 50 0 IJAARN O=C(NCc1ccc(F)cc1F)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159010 555791100 /nfs/dbraw/zinc/79/11/00/555791100.db2.gz LSBZKNSEIRHJND-UHFFFAOYSA-N 0 0 446.379 4.707 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(F)cc2)c2ccccc23)cc1C ZINC000002693121 555799799 /nfs/dbraw/zinc/79/97/99/555799799.db2.gz SJLWKRIIJJQRIA-UHFFFAOYSA-N 0 0 447.495 4.610 50 0 IJAARN CC(C)c1ccc(-n2c3ncn(Cc4cccc(Cl)c4)c3c(=O)n(C3CC3)c2=O)cc1 ZINC000034692722 555805293 /nfs/dbraw/zinc/80/52/93/555805293.db2.gz HFXATIXFTQKDBZ-UHFFFAOYSA-N 0 0 434.927 4.509 50 0 IJAARN O=c1c2c(ncn2Cc2ccccc2)n(-c2ccccc2Cl)c(=O)n1C1CCCCC1 ZINC000034693029 555805869 /nfs/dbraw/zinc/80/58/69/555805869.db2.gz OELPKXFJLMLQSC-UHFFFAOYSA-N 0 0 434.927 4.556 50 0 IJAARN CC(C)CCn1c(=O)c2c(ncn2[C@@H](C)c2ccccc2)n(-c2ccc(Cl)cc2)c1=O ZINC000034694224 555809479 /nfs/dbraw/zinc/80/94/79/555809479.db2.gz RZQRBTOVXJAJLM-KRWDZBQOSA-N 0 0 436.943 4.658 50 0 IJAARN COc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)cc(OC)c1OC ZINC000002761975 555812854 /nfs/dbraw/zinc/81/28/54/555812854.db2.gz KRJDGBCOIUAYNR-UHFFFAOYSA-N 0 0 436.295 4.516 50 0 IJAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000002833657 555832310 /nfs/dbraw/zinc/83/23/10/555832310.db2.gz WYJQDKDIAAGYJK-UHFFFAOYSA-N 0 0 433.961 4.994 50 0 IJAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000002836482 555833144 /nfs/dbraw/zinc/83/31/44/555833144.db2.gz ABNTYNSOMORSHC-UHFFFAOYSA-N 0 0 429.270 4.620 50 0 IJAARN COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000002837665 555833771 /nfs/dbraw/zinc/83/37/71/555833771.db2.gz GJIJOQYPUAWIMI-UHFFFAOYSA-N 0 0 444.988 4.901 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 ZINC000002848259 555838452 /nfs/dbraw/zinc/83/84/52/555838452.db2.gz BUDHNLJQRZYMAE-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)c1C ZINC000002861660 555844750 /nfs/dbraw/zinc/84/47/50/555844750.db2.gz VGQHHFRNMQVSGW-UHFFFAOYSA-N 0 0 430.961 4.704 50 0 IJAARN Cc1sc2ncnc(SCC(=O)NC[C@H]3CCCO3)c2c1-c1ccc(Cl)cc1 ZINC000002861736 555845125 /nfs/dbraw/zinc/84/51/25/555845125.db2.gz VTSOBNINIFGZTP-OAHLLOKOSA-N 0 0 433.986 4.707 50 0 IJAARN CC[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC)C(=O)OC ZINC000002864506 555846433 /nfs/dbraw/zinc/84/64/33/555846433.db2.gz LTCYHVWCGMDAQR-ZWKOTPCHSA-N 0 0 437.319 4.948 50 0 IJAARN COc1cc(NC(=O)COc2ccc(Br)cc2Cl)c(OC)cc1Cl ZINC000002878285 555853636 /nfs/dbraw/zinc/85/36/36/555853636.db2.gz JVWKJKCSBWEFLQ-UHFFFAOYSA-N 0 0 435.101 4.791 50 0 IJAARN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)c1 ZINC000002880219 555854592 /nfs/dbraw/zinc/85/45/92/555854592.db2.gz LKOZPUNLHGUZNE-UHFFFAOYSA-N 0 0 434.924 4.534 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2F)n1)N1CCSCC1 ZINC000034722951 555860908 /nfs/dbraw/zinc/86/09/08/555860908.db2.gz KUODOPKJVWYTHC-UHFFFAOYSA-N 0 0 432.517 4.856 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1-2 ZINC000002911822 555861997 /nfs/dbraw/zinc/86/19/97/555861997.db2.gz AGRRYOMGBCYTTC-SFHVURJKSA-N 0 0 428.901 4.926 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000002915234 555862294 /nfs/dbraw/zinc/86/22/94/555862294.db2.gz OGIYHRCVPCNDAL-ZEQRLZLVSA-N 0 0 426.451 4.639 50 0 IJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000002915236 555862375 /nfs/dbraw/zinc/86/23/75/555862375.db2.gz OGIYHRCVPCNDAL-RPWUZVMVSA-N 0 0 426.451 4.639 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000002916807 555862703 /nfs/dbraw/zinc/86/27/03/555862703.db2.gz QIXOQKNKXURJFO-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000002958881 555867242 /nfs/dbraw/zinc/86/72/42/555867242.db2.gz BIMSUQOEQHTYAV-GOSISDBHSA-N 0 0 442.968 4.721 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000034733857 555878465 /nfs/dbraw/zinc/87/84/65/555878465.db2.gz XMGNUENTJSYVLU-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(Cl)cc1 ZINC000003016797 555880957 /nfs/dbraw/zinc/88/09/57/555880957.db2.gz SYGVIFTZEQERRY-UHFFFAOYSA-N 0 0 444.940 4.533 50 0 IJAARN CCOC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003130726 555890211 /nfs/dbraw/zinc/89/02/11/555890211.db2.gz DQJRHTSMMWQTPH-VIFPVBQESA-N 0 0 439.579 4.722 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Cl)cc1)C(F)(F)F ZINC000003138670 555891486 /nfs/dbraw/zinc/89/14/86/555891486.db2.gz OTZHEGSEMXJUIX-QGZVFWFLSA-N 0 0 435.229 4.657 50 0 IJAARN COc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2sccc2C)CC3)c1 ZINC000034755550 555900485 /nfs/dbraw/zinc/90/04/85/555900485.db2.gz OOROULQWEDCKOF-UHFFFAOYSA-N 0 0 436.581 4.806 50 0 IJAARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2cccs2)CC3)cc1 ZINC000034755638 555900789 /nfs/dbraw/zinc/90/07/89/555900789.db2.gz XLAPIKCSXPVQHW-UHFFFAOYSA-N 0 0 436.581 4.888 50 0 IJAARN COc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(Cc1cccs1)CC2 ZINC000034755607 555900794 /nfs/dbraw/zinc/90/07/94/555900794.db2.gz KJOCUOBWZWHCEQ-UHFFFAOYSA-N 0 0 436.581 4.888 50 0 IJAARN Cc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(F)c(C)c4)c3C2)c1 ZINC000034760309 555904093 /nfs/dbraw/zinc/90/40/93/555904093.db2.gz NCBHTEGKNOLGNM-UHFFFAOYSA-N 0 0 446.526 4.824 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034813031 555909789 /nfs/dbraw/zinc/90/97/89/555909789.db2.gz PVIGAOFUDXBHFE-UHFFFAOYSA-N 0 0 433.552 4.912 50 0 IJAARN COc1ccc(CCNC(=O)c2cn3cc(-c4cc(C)c(OC)c(C)c4)ccc3n2)cc1 ZINC000034831185 555912279 /nfs/dbraw/zinc/91/22/79/555912279.db2.gz NXMMXHOXFROCCJ-UHFFFAOYSA-N 0 0 429.520 4.608 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCc3cccnc3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000034832999 555912870 /nfs/dbraw/zinc/91/28/70/555912870.db2.gz MHKDRLOWNISSFJ-UHFFFAOYSA-N 0 0 449.514 4.705 50 0 IJAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000034907110 555920545 /nfs/dbraw/zinc/92/05/45/555920545.db2.gz WHDUJIZZBGWTQR-UHFFFAOYSA-N 0 0 441.373 4.779 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N3CCC(Cc4ccccc4)CC3)nc2-c2ccoc2)cc1 ZINC000034911256 555923663 /nfs/dbraw/zinc/92/36/63/555923663.db2.gz FGERFMQNKPGVHB-UHFFFAOYSA-N 0 0 426.520 4.931 50 0 IJAARN Cc1cccc(Cn2c(C(=O)N3CCN(C(=O)c4ccco4)[C@@H](C)C3)cc3ccsc32)c1 ZINC000034903032 555929543 /nfs/dbraw/zinc/92/95/43/555929543.db2.gz ZYHLASBKMVRXSJ-SFHVURJKSA-N 0 0 447.560 4.639 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)c1 ZINC000004089822 555961342 /nfs/dbraw/zinc/96/13/42/555961342.db2.gz UBOVGXYBRHZQNM-UHFFFAOYSA-N 0 0 432.505 4.805 50 0 IJAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1Cl ZINC000004426676 555994217 /nfs/dbraw/zinc/99/42/17/555994217.db2.gz LNMJQIPLSTTZIF-UHFFFAOYSA-N 0 0 438.705 4.556 50 0 IJAARN O=C1N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1F ZINC000004489469 555997134 /nfs/dbraw/zinc/99/71/34/555997134.db2.gz NHURIUDAUCYHHY-WQRHYEAKSA-N 0 0 441.256 4.941 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000004671407 556006007 /nfs/dbraw/zinc/00/60/07/556006007.db2.gz XZCITKUFCNLBIO-XTXLOEGASA-N 0 0 426.022 4.852 50 0 IJAARN COC(=O)[C@H](c1ccc(OC)cc1)[C@H]1C=C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000022649838 556017226 /nfs/dbraw/zinc/01/72/26/556017226.db2.gz IBTLBXPTDZXHIU-ADLFWFRXSA-N 0 0 434.319 4.633 50 0 IJAARN CC(C)=CC(=O)N1CCN(C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000022649953 556017648 /nfs/dbraw/zinc/01/76/48/556017648.db2.gz UWCDNXQLEVMLAM-QHCPKHFHSA-N 0 0 448.941 4.987 50 0 IJAARN C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004893325 556017901 /nfs/dbraw/zinc/01/79/01/556017901.db2.gz MSUDJJLYIIQOQD-XXQJYCGQSA-N 0 0 438.656 4.867 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)n1c2ccccc2nc1Cc1ccccc1 ZINC000006143472 556077784 /nfs/dbraw/zinc/07/77/84/556077784.db2.gz HDRMNWXNLFBTFV-UHFFFAOYSA-N 0 0 427.323 4.627 50 0 IJAARN COc1ccc(F)cc1C(=O)COC(=O)c1ccccc1SCc1csc(C)n1 ZINC000010574569 556091380 /nfs/dbraw/zinc/09/13/80/556091380.db2.gz NTPXLGCGKFFLOF-UHFFFAOYSA-N 0 0 431.510 4.931 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704277 556123603 /nfs/dbraw/zinc/12/36/03/556123603.db2.gz IOFIUMTZWYNTOY-QFIPXVFZSA-N 0 0 447.874 4.906 50 0 IJAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4ccc(C)cc4C)cccc3C2=O)c1 ZINC000002716550 556130994 /nfs/dbraw/zinc/13/09/94/556130994.db2.gz IXHFTIJIEKOPEY-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)CC1 ZINC000002724924 556133589 /nfs/dbraw/zinc/13/35/89/556133589.db2.gz NIFBFQNDMDQAJZ-UHIKRAFYSA-N 0 0 429.586 4.578 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000003022915 556157343 /nfs/dbraw/zinc/15/73/43/556157343.db2.gz UNJCFKVOKRPLAG-UHFFFAOYSA-N 0 0 441.369 4.999 50 0 IJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(I)cc1 ZINC000008384574 556160272 /nfs/dbraw/zinc/16/02/72/556160272.db2.gz ZOVPIKHRRWNCTP-VGOFMYFVSA-N 0 0 444.055 4.943 50 0 IJAARN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC ZINC000008396036 556163275 /nfs/dbraw/zinc/16/32/75/556163275.db2.gz IZVQHLYNZIVTOM-HMHNVIDESA-N 0 0 441.933 4.515 50 0 IJAARN C[C@H](COc1ccccc1)COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000008426266 556168834 /nfs/dbraw/zinc/16/88/34/556168834.db2.gz ULNKMOKKYYFWLS-BEXDPUPVSA-N 0 0 442.540 4.551 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000008434833 556172769 /nfs/dbraw/zinc/17/27/69/556172769.db2.gz SFKBXQJNPAPIKF-MNRXQERYSA-N 0 0 427.328 4.752 50 0 IJAARN CCCc1oc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2c1C(=O)OCC ZINC000008439218 556175155 /nfs/dbraw/zinc/17/51/55/556175155.db2.gz PFFHMRBKVDGYGN-UHFFFAOYSA-N 0 0 431.510 4.762 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1cc(C)ccc1C ZINC000008439064 556175263 /nfs/dbraw/zinc/17/52/63/556175263.db2.gz IFAZNZOGEKHRCI-UHFFFAOYSA-N 0 0 443.521 4.667 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)c1 ZINC000008444428 556179031 /nfs/dbraw/zinc/17/90/31/556179031.db2.gz JFAOHFRJMNEERR-UPRAQXHNSA-N 0 0 430.430 4.849 50 0 IJAARN CCOc1ccc([C@@H]2Cc3[nH]c(C(=O)OCCOc4ccccc4)c(C)c3C(=O)C2)cc1 ZINC000008594133 556189655 /nfs/dbraw/zinc/18/96/55/556189655.db2.gz IZKAWYYDKHKYPZ-LJQANCHMSA-N 0 0 433.504 4.870 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000008594900 556189909 /nfs/dbraw/zinc/18/99/09/556189909.db2.gz DSRFLTQSBPMIRC-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000008603413 556190962 /nfs/dbraw/zinc/19/09/62/556190962.db2.gz SSBVQXUSJXNGQG-HSZRJFAPSA-N 0 0 449.551 4.892 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2ccc(OC)cc2OC)c1C ZINC000008604498 556191298 /nfs/dbraw/zinc/19/12/98/556191298.db2.gz MFYZOBPQHBCHIL-UHFFFAOYSA-N 0 0 436.508 4.605 50 0 IJAARN O=C1c2ccccc2C(=O)N1CCCSc1nccn1-c1cc(Cl)ccc1Cl ZINC000008616650 556192661 /nfs/dbraw/zinc/19/26/61/556192661.db2.gz BNORPZADDRASEY-UHFFFAOYSA-N 0 0 432.332 4.958 50 0 IJAARN COc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c(OC)cc1Cl ZINC000008666937 556197925 /nfs/dbraw/zinc/19/79/25/556197925.db2.gz SOINLPPCOULWLA-UHFFFAOYSA-N 0 0 440.809 4.548 50 0 IJAARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000008720946 556202670 /nfs/dbraw/zinc/20/26/70/556202670.db2.gz BEXFMTROQQMDSB-XLNRJJMWSA-N 0 0 437.499 4.692 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)c(-n2nc3ccccc3n2)c1 ZINC000008721752 556203082 /nfs/dbraw/zinc/20/30/82/556203082.db2.gz AQZWFRWKFFUMRY-UHFFFAOYSA-N 0 0 437.297 4.509 50 0 IJAARN CN(C(=O)c1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000008722823 556203381 /nfs/dbraw/zinc/20/33/81/556203381.db2.gz SLOXORJQRDVOQQ-UHFFFAOYSA-N 0 0 444.000 4.800 50 0 IJAARN Cc1cc(Cn2c(CN3CCC(C)CC3)nc3scc(-c4cccs4)c3c2=O)no1 ZINC000008745907 556209407 /nfs/dbraw/zinc/20/94/07/556209407.db2.gz BNZOVRMMAGRBRK-UHFFFAOYSA-N 0 0 440.594 4.763 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)nnc1C1CC1 ZINC000008746071 556209640 /nfs/dbraw/zinc/20/96/40/556209640.db2.gz ZYYUTGKVYIVGHA-UHFFFAOYSA-N 0 0 439.507 4.525 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000008927859 556235133 /nfs/dbraw/zinc/23/51/33/556235133.db2.gz NZGWNHRQQORXMR-HHHXNRCGSA-N 0 0 429.516 4.710 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000009094730 556246101 /nfs/dbraw/zinc/24/61/01/556246101.db2.gz UEESOBGACBQWRJ-UHFFFAOYSA-N 0 0 434.275 4.566 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)cs2)n1C1CCCCC1 ZINC000009095727 556247077 /nfs/dbraw/zinc/24/70/77/556247077.db2.gz XTLQFPNPJLCGQD-UHFFFAOYSA-N 0 0 443.598 4.955 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000009189593 556252636 /nfs/dbraw/zinc/25/26/36/556252636.db2.gz OYFGAVBVIGJWRD-SFHVURJKSA-N 0 0 439.972 4.958 50 0 biogenic IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)Cc4ccc(Cl)cc4)s3)CC2=O)cc1C ZINC000009198240 556256485 /nfs/dbraw/zinc/25/64/85/556256485.db2.gz PWMZCWGTUBZKMU-INIZCTEOSA-N 0 0 440.956 4.510 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccc(F)cc1 ZINC000009225602 556259276 /nfs/dbraw/zinc/25/92/76/556259276.db2.gz ZQNMIWAFEQJPGZ-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(F)c3)C2=O)c1 ZINC000009225832 556260081 /nfs/dbraw/zinc/26/00/81/556260081.db2.gz XRWJIZHRHJZLFD-RUZDIDTESA-N 0 0 448.519 4.622 50 0 IJAARN CC(C)Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1 ZINC000009226225 556260135 /nfs/dbraw/zinc/26/01/35/556260135.db2.gz NFLHAHSWMVHQKY-UHFFFAOYSA-N 0 0 431.359 4.734 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239272 556265778 /nfs/dbraw/zinc/26/57/78/556265778.db2.gz YDDQTKMGXKRZFL-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239650 556266422 /nfs/dbraw/zinc/26/64/22/556266422.db2.gz FIAKFFQYMASSEC-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O ZINC000009260912 556268686 /nfs/dbraw/zinc/26/86/86/556268686.db2.gz GFIMLZRVJLRYTD-ONDHQXCVSA-N 0 0 428.485 4.678 50 0 IJAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c(OC)c1 ZINC000009288230 556272521 /nfs/dbraw/zinc/27/25/21/556272521.db2.gz MDKYJADJRDEDQX-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009294984 556274502 /nfs/dbraw/zinc/27/45/02/556274502.db2.gz FIWYDTFIZBIORY-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294992 556274513 /nfs/dbraw/zinc/27/45/13/556274513.db2.gz AYZXOOAIBODGQD-RTBURBONSA-N 0 0 445.951 4.729 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009294993 556274568 /nfs/dbraw/zinc/27/45/68/556274568.db2.gz AYZXOOAIBODGQD-RBUKOAKNSA-N 0 0 445.951 4.729 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295003 556274595 /nfs/dbraw/zinc/27/45/95/556274595.db2.gz HCXMVDPJIXBZPQ-PMACEKPBSA-N 0 0 441.988 4.899 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)cc1 ZINC000009305084 556276607 /nfs/dbraw/zinc/27/66/07/556276607.db2.gz CWTNNHFCXMPKGO-UHFFFAOYSA-N 0 0 448.342 4.855 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)cc1 ZINC000009307286 556277237 /nfs/dbraw/zinc/27/72/37/556277237.db2.gz MKDKBMKHKSARAE-UHFFFAOYSA-N 0 0 430.961 4.824 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2O)c1Oc1ccccc1 ZINC000013689351 556278733 /nfs/dbraw/zinc/27/87/33/556278733.db2.gz QWQURQGGXZGIDQ-UHFFFAOYSA-N 0 0 443.503 4.920 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2c1 ZINC000009319924 556280665 /nfs/dbraw/zinc/28/06/65/556280665.db2.gz BLDKIUBYJCTBNV-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000009410604 556288130 /nfs/dbraw/zinc/28/81/30/556288130.db2.gz OTVGQJUOYZEYPF-ZBEGNZNMSA-N 0 0 436.415 4.586 50 0 IJAARN O=c1n2nc(Cc3ccccc3)nc2c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000013719766 556288972 /nfs/dbraw/zinc/28/89/72/556288972.db2.gz DFSFMTQVRPIMFJ-UHFFFAOYSA-N 0 0 444.535 4.763 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(F)cc4)c(C)c13)CCC(C)(C)O2 ZINC000013720155 556289391 /nfs/dbraw/zinc/28/93/91/556289391.db2.gz YQRQJBVSBJOUDG-UHFFFAOYSA-N 0 0 425.456 4.534 50 0 IJAARN Cc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)s1 ZINC000013721566 556290546 /nfs/dbraw/zinc/29/05/46/556290546.db2.gz HGQHLALQFWPOPP-UHFFFAOYSA-N 0 0 448.533 4.571 50 0 IJAARN Cc1[nH]nc(-c2ccc(OCC(=O)Nc3ccc(O)cc3C)cc2O)c1-c1ccccc1 ZINC000013722348 556290895 /nfs/dbraw/zinc/29/08/95/556290895.db2.gz AEOATSWANVTVHF-UHFFFAOYSA-N 0 0 429.476 4.789 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000009488738 556294800 /nfs/dbraw/zinc/29/48/00/556294800.db2.gz HNTRXSWSTWSWDD-UHFFFAOYSA-N 0 0 429.442 4.860 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1 ZINC000009500026 556295497 /nfs/dbraw/zinc/29/54/97/556295497.db2.gz OIVYIHHGEVMAOW-UHFFFAOYSA-N 0 0 448.548 4.888 50 0 IJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OCc4ccc(C)cc4)c(C)c3C(=O)C2)cc1OC ZINC000009559819 556298316 /nfs/dbraw/zinc/29/83/16/556298316.db2.gz NKOJUOBDKZCYGN-IBGZPJMESA-N 0 0 433.504 4.918 50 0 IJAARN CCCCCCOc1ccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013748324 556298452 /nfs/dbraw/zinc/29/84/52/556298452.db2.gz RMHCZXLPCWXSNU-LJQANCHMSA-N 0 0 435.611 4.537 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)Nc1cccc(F)c1 ZINC000032741828 556303734 /nfs/dbraw/zinc/30/37/34/556303734.db2.gz SEJLXCJPZMMMRJ-UHFFFAOYSA-N 0 0 447.495 4.938 50 0 IJAARN CCOc1cc(-c2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc(OCC)c1OCC ZINC000013770705 556305154 /nfs/dbraw/zinc/30/51/54/556305154.db2.gz YZRSSRLSRLSZLR-UHFFFAOYSA-N 0 0 435.480 4.750 50 0 IJAARN O=C(Oc1ccc(C2SCCS2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000032738085 556306822 /nfs/dbraw/zinc/30/68/22/556306822.db2.gz LNLDWHDJVKDATM-UHFFFAOYSA-N 0 0 449.619 4.559 50 0 IJAARN Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000013775001 556307129 /nfs/dbraw/zinc/30/71/29/556307129.db2.gz IAHAFFWHCQRLKY-UHFFFAOYSA-N 0 0 431.515 4.784 50 0 IJAARN C[C@H](Oc1ccccc1)c1nc2c(Br)cc(Br)cc2c(=O)o1 ZINC000009720845 556307442 /nfs/dbraw/zinc/30/74/42/556307442.db2.gz OJNYYJYXVSXRRW-VIFPVBQESA-N 0 0 425.076 4.853 50 0 IJAARN O=C1N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1Cc1ccccc1F ZINC000009846142 556313071 /nfs/dbraw/zinc/31/30/71/556313071.db2.gz UDUFNQSUWJGPPF-WOJGMQOQSA-N 0 0 441.256 4.941 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 ZINC000009933940 556317219 /nfs/dbraw/zinc/31/72/19/556317219.db2.gz DSTMOICQSLDILI-QFIPXVFZSA-N 0 0 435.524 4.502 50 0 IJAARN O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1ccccc1C(=O)c1ccccc1 ZINC000013838779 556317246 /nfs/dbraw/zinc/31/72/46/556317246.db2.gz MNNISBHOIIZHEQ-UHFFFAOYSA-N 0 0 433.464 4.838 50 0 IJAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCc1ccc(Cl)cc1 ZINC000013839157 556317435 /nfs/dbraw/zinc/31/74/35/556317435.db2.gz HTUIUPKIBKERNP-RUZDIDTESA-N 0 0 443.934 4.725 50 0 IJAARN O=c1c2cc(Br)ccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000009938701 556318503 /nfs/dbraw/zinc/31/85/03/556318503.db2.gz KINPUSMDGGQHNN-UHFFFAOYSA-N 0 0 441.712 4.617 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000013844436 556318498 /nfs/dbraw/zinc/31/84/98/556318498.db2.gz IIGNUEFKRVNXGI-GYCJOSAFSA-N 0 0 425.488 4.749 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(C)c(C)c2)c2ccccc23)cc1 ZINC000009970199 556319134 /nfs/dbraw/zinc/31/91/34/556319134.db2.gz RPTRVSLBVGDQGN-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000013847242 556319139 /nfs/dbraw/zinc/31/91/39/556319139.db2.gz LCSTYRAHOJLGNI-UHFFFAOYSA-N 0 0 440.590 4.601 50 0 IJAARN COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c(OC)cc1Cl ZINC000032760157 556320213 /nfs/dbraw/zinc/32/02/13/556320213.db2.gz BIXFPHMKUOYJIS-UHFFFAOYSA-N 0 0 443.784 4.953 50 0 IJAARN O=C(COC(=O)C(OC(=O)c1ccco1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000013856644 556321089 /nfs/dbraw/zinc/32/10/89/556321089.db2.gz ZTYWLYDKGJJVDY-UHFFFAOYSA-N 0 0 440.451 4.806 50 0 IJAARN O=C(Cn1c(=O)sc2ccccc21)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000010035227 556323138 /nfs/dbraw/zinc/32/31/38/556323138.db2.gz KEDKQZIWLVAHDD-UHFFFAOYSA-N 0 0 446.351 4.588 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(CC)cc1 ZINC000010059681 556324035 /nfs/dbraw/zinc/32/40/35/556324035.db2.gz BIHCYPVNEKHLTF-OAQYLSRUSA-N 0 0 434.565 4.985 50 0 IJAARN CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000032759154 556324937 /nfs/dbraw/zinc/32/49/37/556324937.db2.gz JSDJNOHSGROUCI-UHFFFAOYSA-N 0 0 437.517 4.556 50 0 IJAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000013880084 556325365 /nfs/dbraw/zinc/32/53/65/556325365.db2.gz APARJJDFIHQVDU-UHFFFAOYSA-N 0 0 446.507 4.849 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 ZINC000010120175 556326505 /nfs/dbraw/zinc/32/65/05/556326505.db2.gz VMVVGLINVXWMAG-UHFFFAOYSA-N 0 0 434.448 4.782 50 0 IJAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccncc1 ZINC000010231093 556327797 /nfs/dbraw/zinc/32/77/97/556327797.db2.gz NKRLMVAIRGYNAT-CQSZACIVSA-N 0 0 438.582 4.725 50 0 IJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000013894316 556328350 /nfs/dbraw/zinc/32/83/50/556328350.db2.gz TYAZQSNALUYQBH-UHFFFAOYSA-N 0 0 445.479 4.741 50 0 IJAARN O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000032764520 556331881 /nfs/dbraw/zinc/33/18/81/556331881.db2.gz SUDZYSVZEYSIKK-UHFFFAOYSA-N 0 0 437.333 4.527 50 0 IJAARN COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000013936083 556335883 /nfs/dbraw/zinc/33/58/83/556335883.db2.gz OVYPOPOEOBWOLC-UHFFFAOYSA-N 0 0 447.969 4.958 50 0 IJAARN CSc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)cc1 ZINC000032774179 556336072 /nfs/dbraw/zinc/33/60/72/556336072.db2.gz GIWZGHNSCPIJFT-NRFANRHFSA-N 0 0 428.579 4.503 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(C)c3)cc2)cc1 ZINC000013936360 556336232 /nfs/dbraw/zinc/33/62/32/556336232.db2.gz NIJJUBWKWIIZQD-UHFFFAOYSA-N 0 0 427.551 4.613 50 0 IJAARN Cc1ccc(NC(=O)COCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000013943748 556341068 /nfs/dbraw/zinc/34/10/68/556341068.db2.gz SJTNCMUOWVPUIW-UHFFFAOYSA-N 0 0 438.911 4.821 50 0 IJAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944230 556341403 /nfs/dbraw/zinc/34/14/03/556341403.db2.gz MUOHWQDNTIDNOO-HNNXBMFYSA-N 0 0 426.929 4.527 50 0 IJAARN Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CC(=O)N(C)C)c3ccccc3n2C)cc1 ZINC000013945675 556342721 /nfs/dbraw/zinc/34/27/21/556342721.db2.gz GTYLNSJODVCBJQ-MHZLTWQESA-N 0 0 437.543 4.787 50 0 IJAARN O[C@H](c1ccccn1)C1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011662625 556344023 /nfs/dbraw/zinc/34/40/23/556344023.db2.gz SIGFGBAKBXSJBR-SANMLTNESA-N 0 0 440.547 4.590 50 0 IJAARN Cc1cccc(-n2ccnc2CN2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)c1 ZINC000011663507 556344348 /nfs/dbraw/zinc/34/43/48/556344348.db2.gz IIHHYAIOQRLJQJ-JOCHJYFZSA-N 0 0 438.575 4.976 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1c(F)cc(F)cc1Br ZINC000011703341 556347306 /nfs/dbraw/zinc/34/73/06/556347306.db2.gz SMCZFBFQJKBNQK-UHFFFAOYSA-N 0 0 432.271 4.570 50 0 IJAARN CCOC(=O)c1sc(N(CC(C)C)C(=O)c2ccccc2Br)nc1C ZINC000013961303 556348926 /nfs/dbraw/zinc/34/89/26/556348926.db2.gz QWWCNFCRBJGULL-UHFFFAOYSA-N 0 0 425.348 4.694 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000032781522 556349683 /nfs/dbraw/zinc/34/96/83/556349683.db2.gz BNHJBXYULKQEAQ-HXUWFJFHSA-N 0 0 442.631 4.898 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1F ZINC000014022912 556357062 /nfs/dbraw/zinc/35/70/62/556357062.db2.gz FUAKMAUEOYAQAV-FQEVSTJZSA-N 0 0 429.879 4.629 50 0 IJAARN CSc1nnc(CCCNC(=O)c2sc(C)nc2-c2ccccc2)n1C1CCCC1 ZINC000014066440 556359213 /nfs/dbraw/zinc/35/92/13/556359213.db2.gz MKGZJRMNRLDKKD-UHFFFAOYSA-N 0 0 441.626 4.910 50 0 IJAARN COc1ccc(-n2ccnc2CN2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1 ZINC000011820001 556361953 /nfs/dbraw/zinc/36/19/53/556361953.db2.gz RJPVQWBHIUQKHP-QGZVFWFLSA-N 0 0 439.943 4.638 50 0 IJAARN Cn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000014077613 556362521 /nfs/dbraw/zinc/36/25/21/556362521.db2.gz YSTVRJRVJGEMKP-IBGZPJMESA-N 0 0 426.973 4.981 50 0 IJAARN COc1ccc(CCNc2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)cc1OC ZINC000014103411 556368159 /nfs/dbraw/zinc/36/81/59/556368159.db2.gz PPOXWWWMWUYQKZ-UHFFFAOYSA-N 0 0 437.565 4.699 50 0 IJAARN COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(C)c2oc1=O ZINC000011867587 556368669 /nfs/dbraw/zinc/36/86/69/556368669.db2.gz QPJXFXVVLSOTSY-UHFFFAOYSA-N 0 0 435.259 4.651 50 0 IJAARN C[C@]1(CCc2ccc(Oc3ncnc4sc(-c5ccccc5)cc43)cc2)NC(=O)NC1=O ZINC000014115321 556370497 /nfs/dbraw/zinc/37/04/97/556370497.db2.gz ADTKVJWRNAKGLP-XMMPIXPASA-N 0 0 444.516 4.681 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCOc3ccccc3F)cc12 ZINC000014120049 556371927 /nfs/dbraw/zinc/37/19/27/556371927.db2.gz KSIWZQOTXLOEGH-UHFFFAOYSA-N 0 0 427.476 4.542 50 0 IJAARN CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000014128562 556373518 /nfs/dbraw/zinc/37/35/18/556373518.db2.gz LAYSZBLNEUUBAH-OAQYLSRUSA-N 0 0 430.533 4.896 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cncc(Br)c2)c(C)n1CCc1ccccc1 ZINC000014129426 556374501 /nfs/dbraw/zinc/37/45/01/556374501.db2.gz WSRJCUWBYZAWRR-UHFFFAOYSA-N 0 0 441.325 4.545 50 0 IJAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000014138693 556375811 /nfs/dbraw/zinc/37/58/11/556375811.db2.gz CBYZBBIYZVRYNG-QGZVFWFLSA-N 0 0 428.113 4.723 50 0 IJAARN CC(C)n1nccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000014164539 556379020 /nfs/dbraw/zinc/37/90/20/556379020.db2.gz XQLVRFTXDPUTIA-UHFFFAOYSA-N 0 0 426.523 4.598 50 0 IJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2cnc3ccccc32)cc1 ZINC000011936895 556379163 /nfs/dbraw/zinc/37/91/63/556379163.db2.gz CKJCECDJDDIOMK-QFIPXVFZSA-N 0 0 427.552 4.750 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)n[nH]2)cc1 ZINC000014166053 556379859 /nfs/dbraw/zinc/37/98/59/556379859.db2.gz ZFXQTHPLZDPNAI-QGZVFWFLSA-N 0 0 449.605 4.888 50 0 IJAARN O=S(=O)(c1ccc(N[C@H](c2cccs2)c2ccc(F)cc2)nc1)N1CCCCC1 ZINC000014169820 556381214 /nfs/dbraw/zinc/38/12/14/556381214.db2.gz MAEOXCYQVQBBJJ-NRFANRHFSA-N 0 0 431.558 4.658 50 0 IJAARN CCC[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000014182153 556382789 /nfs/dbraw/zinc/38/27/89/556382789.db2.gz IRINFKYLFNVMQK-KRWDZBQOSA-N 0 0 441.622 4.754 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCOc2cccc(C)c2)cc1 ZINC000014183729 556383712 /nfs/dbraw/zinc/38/37/12/556383712.db2.gz XYMOLKPDZOJYQL-UHFFFAOYSA-N 0 0 434.561 4.843 50 0 IJAARN O=c1c2c(ncn1C[C@@H](O)COC(c1ccccc1)c1ccccc1)sc1c2CCCC1 ZINC000014184114 556384082 /nfs/dbraw/zinc/38/40/82/556384082.db2.gz APESZUVIFZZYKR-HXUWFJFHSA-N 0 0 446.572 4.504 50 0 IJAARN COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996936 556384236 /nfs/dbraw/zinc/38/42/36/556384236.db2.gz FLRIYLNSNFNHLW-MRXNPFEDSA-N 0 0 437.458 4.826 50 0 IJAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(F)cc3)n(C)c2=S)c(OC)c1 ZINC000014188770 556387001 /nfs/dbraw/zinc/38/70/01/556387001.db2.gz WUCVBMUWSMHSPX-LJQANCHMSA-N 0 0 428.533 4.569 50 0 IJAARN CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000014190440 556388062 /nfs/dbraw/zinc/38/80/62/556388062.db2.gz XVUMRSKAIZVKIG-UHFFFAOYSA-N 0 0 428.941 4.832 50 0 IJAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)c1C ZINC000032818896 556393794 /nfs/dbraw/zinc/39/37/94/556393794.db2.gz FKLKXLXWTRSAEK-UHFFFAOYSA-N 0 0 442.313 4.681 50 0 IJAARN CCc1nc2cc(C(=O)N(C)C3CCCCC3)cc(NC(=O)c3ccccc3OC)c2n1C ZINC000012055575 556393902 /nfs/dbraw/zinc/39/39/02/556393902.db2.gz TUOFONZBTIHSTB-UHFFFAOYSA-N 0 0 448.567 4.801 50 0 IJAARN COc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1OC ZINC000032809453 556394031 /nfs/dbraw/zinc/39/40/31/556394031.db2.gz HSPYETZMDRCKIT-UHFFFAOYSA-N 0 0 440.540 4.529 50 0 IJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000014227459 556395512 /nfs/dbraw/zinc/39/55/12/556395512.db2.gz VAOCSFSMFGEOBL-UHFFFAOYSA-N 0 0 425.485 4.549 50 0 IJAARN CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 ZINC000014230513 556397300 /nfs/dbraw/zinc/39/73/00/556397300.db2.gz DAPRFUSHFLJQKD-UHFFFAOYSA-N 0 0 425.488 4.640 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1OC ZINC000014236544 556399401 /nfs/dbraw/zinc/39/94/01/556399401.db2.gz MDWBHTKGJGJFDS-UHFFFAOYSA-N 0 0 432.567 4.670 50 0 IJAARN Cc1sc2[nH]c(CNc3ccc4c(c3)NC(=O)[C@H](C)O4)nc(=O)c2c1-c1ccc(C)cc1 ZINC000032814876 556400635 /nfs/dbraw/zinc/40/06/35/556400635.db2.gz BSJBEAJVNVQHDU-ZDUSSCGKSA-N 0 0 446.532 4.600 50 0 IJAARN COc1ccccc1N(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014241965 556402383 /nfs/dbraw/zinc/40/23/83/556402383.db2.gz NINWNEHWGQIRAH-UHFFFAOYSA-N 0 0 444.896 4.992 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 ZINC000004518673 556403381 /nfs/dbraw/zinc/40/33/81/556403381.db2.gz FPSLPBQQNUZXIM-UHFFFAOYSA-N 0 0 425.558 4.568 50 0 IJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000032578861 556405701 /nfs/dbraw/zinc/40/57/01/556405701.db2.gz BXHDYGGBJJNCTG-UHFFFAOYSA-N 0 0 429.432 4.605 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219259184 556406395 /nfs/dbraw/zinc/40/63/95/556406395.db2.gz SRVONWUMGBGQGW-QGZVFWFLSA-N 0 0 446.377 4.591 50 0 IJAARN Cc1c2cc(Br)ccc2oc1C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000032593732 556407242 /nfs/dbraw/zinc/40/72/42/556407242.db2.gz HUKGEIADWWWEEA-UHFFFAOYSA-N 0 0 426.270 4.526 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)cc1 ZINC000004519100 556407525 /nfs/dbraw/zinc/40/75/25/556407525.db2.gz JFMLRJNLYLKUPM-QFIPXVFZSA-N 0 0 425.550 4.831 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CCSc2ccccc21 ZINC000014250471 556408840 /nfs/dbraw/zinc/40/88/40/556408840.db2.gz BXMRYYRVXKCKEN-DYVFJYSZSA-N 0 0 438.496 4.862 50 0 IJAARN CCc1cccc(C)c1Nc1nnc(SCC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000032824181 556409072 /nfs/dbraw/zinc/40/90/72/556409072.db2.gz MWDYVCNUUSNFTA-KRWDZBQOSA-N 0 0 440.594 4.885 50 0 IJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000014251785 556409246 /nfs/dbraw/zinc/40/92/46/556409246.db2.gz XOXBNMLQHXVNLA-QGZVFWFLSA-N 0 0 429.954 4.829 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1 ZINC000032622966 556410219 /nfs/dbraw/zinc/41/02/19/556410219.db2.gz DKPJNBPFJVTTGE-INIZCTEOSA-N 0 0 445.475 4.827 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4F)cc3)n2)cc1 ZINC000032624050 556411155 /nfs/dbraw/zinc/41/11/55/556411155.db2.gz LSDLQRCCGGRBBM-HNNXBMFYSA-N 0 0 433.439 4.957 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)/C=C/c1ccccc1)c1nnc(Nc2ccccc2)s1 ZINC000032624704 556411480 /nfs/dbraw/zinc/41/14/80/556411480.db2.gz IYQAGNYMRRKNIO-JKGDOXCYSA-N 0 0 444.453 4.596 50 0 IJAARN CC(C)Cc1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 ZINC000032820276 556412246 /nfs/dbraw/zinc/41/22/46/556412246.db2.gz UNPBDSFFDRTSJH-SANMLTNESA-N 0 0 445.588 4.952 50 0 IJAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000014356589 556413935 /nfs/dbraw/zinc/41/39/35/556413935.db2.gz UOYIVECPIYEKSB-UHFFFAOYSA-N 0 0 437.543 4.540 50 0 IJAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Oc1ccc(-c2ccc(C)cc2)cc1C ZINC000014358901 556414416 /nfs/dbraw/zinc/41/44/16/556414416.db2.gz CPSIISLJWLFAKQ-XMMPIXPASA-N 0 0 449.572 4.652 50 0 IJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2nc(-c3cccs3)no2)c1 ZINC000032671897 556414484 /nfs/dbraw/zinc/41/44/84/556414484.db2.gz ZAGSAGDTXPPEST-UHFFFAOYSA-N 0 0 448.529 4.798 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(Br)cc1 ZINC000012939262 556416520 /nfs/dbraw/zinc/41/65/20/556416520.db2.gz YRMQMMIXRBJVBN-UHFFFAOYSA-N 0 0 428.311 4.710 50 0 IJAARN O=C(c1ccccc1I)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012939625 556416527 /nfs/dbraw/zinc/41/65/27/556416527.db2.gz KINNEYJRSIJEOA-ZDUSSCGKSA-N 0 0 448.329 4.921 50 0 IJAARN O=C(NC1CC1)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccccc1 ZINC000012972609 556419267 /nfs/dbraw/zinc/41/92/67/556419267.db2.gz ZDINYZUCXVSGSN-QFIPXVFZSA-N 0 0 445.519 4.637 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012975853 556421352 /nfs/dbraw/zinc/42/13/52/556421352.db2.gz RGUAPHOUUJAZDR-HNNXBMFYSA-N 0 0 429.538 4.587 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976453 556421829 /nfs/dbraw/zinc/42/18/29/556421829.db2.gz WPMORWHRGXLHGI-NAVXVDNBSA-N 0 0 436.474 4.731 50 0 IJAARN COc1ccc(C)cc1NC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012976131 556421970 /nfs/dbraw/zinc/42/19/70/556421970.db2.gz DKEJLIBMWJXQJZ-MHZLTWQESA-N 0 0 446.547 4.607 50 0 IJAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000012977127 556422571 /nfs/dbraw/zinc/42/25/71/556422571.db2.gz PDODVRRSCCXSMO-UHFFFAOYSA-N 0 0 441.984 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C[C@H](Sc1nnc2n1CCCCC2)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000013120789 556472940 /nfs/dbraw/zinc/47/29/40/556472940.db2.gz YPDFIGQBRXPSJL-NSHDSACASA-N 0 0 429.596 4.884 50 0 IJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc(-n2cnnc2)ccc1Cl ZINC000013124609 556474869 /nfs/dbraw/zinc/47/48/69/556474869.db2.gz UOMZPKYMWVUMCH-UHFFFAOYSA-N 0 0 431.839 4.687 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccsc2)n1C[C@@H]1CCCO1 ZINC000014993660 556476454 /nfs/dbraw/zinc/47/64/54/556476454.db2.gz QUNCMSTUJFWXIR-FQEVSTJZSA-N 0 0 428.627 4.751 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)nnc1C1CC1 ZINC000013127921 556476771 /nfs/dbraw/zinc/47/67/71/556476771.db2.gz XJBJLCMYSIILAA-UHFFFAOYSA-N 0 0 444.564 4.759 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)c(C)n1CC(F)(F)F ZINC000013128725 556478171 /nfs/dbraw/zinc/47/81/71/556478171.db2.gz ONWMGMXZLUKCQA-UHFFFAOYSA-N 0 0 449.404 4.985 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)o1 ZINC000013128841 556478445 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CC(=O)c1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000013135085 556483076 /nfs/dbraw/zinc/48/30/76/556483076.db2.gz XQKXVLJAZDXFAI-UHFFFAOYSA-N 0 0 428.535 4.553 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000015013994 556484534 /nfs/dbraw/zinc/48/45/34/556484534.db2.gz QPQWKFRPOXJQTF-BGYRXZFFSA-N 0 0 434.609 4.934 50 0 IJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)ccc12 ZINC000013148810 556490346 /nfs/dbraw/zinc/49/03/46/556490346.db2.gz UHACPXBERJVISY-UHFFFAOYSA-N 0 0 446.430 4.859 50 0 IJAARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000013149986 556492015 /nfs/dbraw/zinc/49/20/15/556492015.db2.gz IBTZNESWBZFKHS-AWEZNQCLSA-N 0 0 435.936 4.756 50 0 IJAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000013153449 556492894 /nfs/dbraw/zinc/49/28/94/556492894.db2.gz HTOMMBPOSYARSE-UHFFFAOYSA-N 0 0 428.532 4.531 50 0 IJAARN O=C1C[C@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013153155 556493002 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IJAARN COc1ccc(NS(=O)(=O)c2ccc(Oc3ncnc4sc(C)c(C)c43)cc2)cc1 ZINC000015210716 556511395 /nfs/dbraw/zinc/51/13/95/556511395.db2.gz OAOUBFQKMNAUQH-UHFFFAOYSA-N 0 0 441.534 4.910 50 0 IJAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)c2C1 ZINC000030871441 556513746 /nfs/dbraw/zinc/51/37/46/556513746.db2.gz NEQHIZWGBNHJOD-QGZVFWFLSA-N 0 0 438.531 4.870 50 0 IJAARN Cc1noc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2F)CC[C@@H](C)C4)n1 ZINC000032895097 556514655 /nfs/dbraw/zinc/51/46/55/556514655.db2.gz KUYGVYHABQHQMV-LLVKDONJSA-N 0 0 442.541 4.695 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccccc1 ZINC000072294893 556514721 /nfs/dbraw/zinc/51/47/21/556514721.db2.gz YYJLYNIWPJREAU-AZGAKELHSA-N 0 0 440.547 4.911 50 0 IJAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1OC ZINC000032895203 556514955 /nfs/dbraw/zinc/51/49/55/556514955.db2.gz YRCMPBPYBZEPOA-HXUWFJFHSA-N 0 0 425.916 4.579 50 0 IJAARN CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1cccc(Cl)c1Cl ZINC000032718907 556517923 /nfs/dbraw/zinc/51/79/23/556517923.db2.gz RVYNBBCVDNFXBG-LJQANCHMSA-N 0 0 449.378 4.950 50 0 IJAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000011072698 556518623 /nfs/dbraw/zinc/51/86/23/556518623.db2.gz QEVZPFCEOURSNS-RUZDIDTESA-N 0 0 445.563 4.637 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2Cc2cc(OC)c(OC)cc2Br)c1 ZINC000015312885 556518627 /nfs/dbraw/zinc/51/86/27/556518627.db2.gz UPSRHNPWURAIOD-GOSISDBHSA-N 0 0 436.346 4.821 50 0 IJAARN O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccc2c(c1)OCCCO2 ZINC000011074062 556518965 /nfs/dbraw/zinc/51/89/65/556518965.db2.gz OIDPYAFURLZJTQ-UHFFFAOYSA-N 0 0 430.504 4.608 50 0 IJAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1SC(F)F ZINC000015325797 556521543 /nfs/dbraw/zinc/52/15/43/556521543.db2.gz IBHCOJYHZYJTFI-UHFFFAOYSA-N 0 0 441.503 4.982 50 0 IJAARN O=S(=O)(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(C2CCCCC2)cc1 ZINC000072301054 556524140 /nfs/dbraw/zinc/52/41/40/556524140.db2.gz JFULBVCKPGBJSH-UHFFFAOYSA-N 0 0 441.532 4.527 50 0 IJAARN CCn1c(SCC(=O)N2N=CC[C@@H]2c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000013591395 556529705 /nfs/dbraw/zinc/52/97/05/556529705.db2.gz GZDDJMFBMPHJGC-GOSISDBHSA-N 0 0 425.945 4.670 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000032900643 556529888 /nfs/dbraw/zinc/52/98/88/556529888.db2.gz TZYYTFFDDADACV-UHFFFAOYSA-N 0 0 438.528 4.916 50 0 IJAARN COc1cc(CN(C(=O)c2ccccc2Br)C2CC2)ccc1OC(F)F ZINC000015517452 556532577 /nfs/dbraw/zinc/53/25/77/556532577.db2.gz RCEJHGXMRLVNNF-UHFFFAOYSA-N 0 0 426.257 4.864 50 0 IJAARN C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032902048 556538655 /nfs/dbraw/zinc/53/86/55/556538655.db2.gz OUIPJXWUMGURFX-YJBOKZPZSA-N 0 0 425.960 4.620 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000015638378 556539555 /nfs/dbraw/zinc/53/95/55/556539555.db2.gz BVCNXPYNYCZOEU-QGZVFWFLSA-N 0 0 441.487 4.656 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCCn1ccnc1)C3=O ZINC000015671150 556542119 /nfs/dbraw/zinc/54/21/19/556542119.db2.gz JBKZGEXEYKLAIV-OAQYLSRUSA-N 0 0 433.895 4.587 50 0 IJAARN CCCCN(C(=O)c1cc(C2CC2)nc2onc(C)c21)c1nc(C)c(C(=O)OCC)s1 ZINC000013642186 556542514 /nfs/dbraw/zinc/54/25/14/556542514.db2.gz BSTUKLZJEFNYBG-UHFFFAOYSA-N 0 0 442.541 4.797 50 0 IJAARN O=C(Nc1c(F)cc(F)cc1Br)c1cc2nccc(-c3cccs3)n2n1 ZINC000013644566 556543184 /nfs/dbraw/zinc/54/31/84/556543184.db2.gz AWQFYNQISJQCBO-UHFFFAOYSA-N 0 0 435.253 4.751 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032904435 556543926 /nfs/dbraw/zinc/54/39/26/556543926.db2.gz MIVANYVWEKUMIJ-PMACEKPBSA-N 0 0 431.565 4.526 50 0 IJAARN CC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(Br)cc3C)cc2s1 ZINC000032959360 556546937 /nfs/dbraw/zinc/54/69/37/556546937.db2.gz CSUKZUATUIDPED-UHFFFAOYSA-N 0 0 432.343 4.897 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721807 556547385 /nfs/dbraw/zinc/54/73/85/556547385.db2.gz RLEXZKWYEBJHNW-LYBIEXDWSA-N 0 0 425.532 4.610 50 0 IJAARN O=C(NCCCN1CCOCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000015746367 556548084 /nfs/dbraw/zinc/54/80/84/556548084.db2.gz NFBFVIMXGDDMJI-UHFFFAOYSA-N 0 0 444.362 4.661 50 0 IJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3C(=O)c3ccc(Br)cc3)cc12 ZINC000032905587 556549115 /nfs/dbraw/zinc/54/91/15/556549115.db2.gz WWZMYAPFOAELSR-UHFFFAOYSA-N 0 0 449.308 4.523 50 0 IJAARN O=C(OCc1c(F)cccc1Cl)c1ccccc1-n1ncc(Cl)c(Cl)c1=O ZINC000011091335 556549799 /nfs/dbraw/zinc/54/97/99/556549799.db2.gz UOANPMYGRPZWKQ-UHFFFAOYSA-N 0 0 427.646 4.689 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 ZINC000032997187 556551109 /nfs/dbraw/zinc/55/11/09/556551109.db2.gz YPZRUCJMCZCBNO-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CC[C@@H](C)NC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000033115133 556554728 /nfs/dbraw/zinc/55/47/28/556554728.db2.gz QZXNUFGFWCOLHR-HXUWFJFHSA-N 0 0 444.579 4.696 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)c1 ZINC000033115384 556554953 /nfs/dbraw/zinc/55/49/53/556554953.db2.gz XNNFHAMUUJSDOQ-UHFFFAOYSA-N 0 0 440.609 4.975 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCCC4)CC3)cc2)cc1 ZINC000033115396 556555013 /nfs/dbraw/zinc/55/50/13/556555013.db2.gz PQDBHXLGPZCZGU-UHFFFAOYSA-N 0 0 440.609 4.920 50 0 IJAARN O=C(NC1CCCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033274812 556559242 /nfs/dbraw/zinc/55/92/42/556559242.db2.gz ZWAYXFWLENBAHY-UHFFFAOYSA-N 0 0 432.973 4.621 50 0 IJAARN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274833 556559374 /nfs/dbraw/zinc/55/93/74/556559374.db2.gz RJMOAQKNAMWILU-UHFFFAOYSA-N 0 0 428.598 4.634 50 0 IJAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869215 556559991 /nfs/dbraw/zinc/55/99/91/556559991.db2.gz OTXKIPNOBMBTOQ-UHFFFAOYSA-N 0 0 439.903 4.999 50 0 IJAARN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1csc(-c2cc(Br)cs2)n1 ZINC000072307217 556561551 /nfs/dbraw/zinc/56/15/51/556561551.db2.gz FQUZQZFXSVWAND-JSGCOSHPSA-N 0 0 437.388 4.744 50 0 IJAARN Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c2cnn(Cc3cccs3)c2n1 ZINC000032908833 556566059 /nfs/dbraw/zinc/56/60/59/556566059.db2.gz AGDDIXSTBHRJKJ-UHFFFAOYSA-N 0 0 446.561 4.544 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4coc(-c5ccc(F)cc5)n4)C3=O)ccc2c1 ZINC000032909052 556567004 /nfs/dbraw/zinc/56/70/04/556567004.db2.gz NOLVXLIJHFESIW-RUZDIDTESA-N 0 0 445.450 4.610 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc2c1CCCC2 ZINC000015946867 556567807 /nfs/dbraw/zinc/56/78/07/556567807.db2.gz SOLLNVQBBNJMBF-INIZCTEOSA-N 0 0 441.597 4.701 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCOc1ccc(Br)cc1 ZINC000032960961 556571457 /nfs/dbraw/zinc/57/14/57/556571457.db2.gz LQHXWZDVGHXZAM-UHFFFAOYSA-N 0 0 447.373 4.794 50 0 IJAARN Cc1ccc(S(=O)(=O)CCSc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000000754814 556573062 /nfs/dbraw/zinc/57/30/62/556573062.db2.gz AFIBTGBCNXTYME-UHFFFAOYSA-N 0 0 429.538 4.952 50 0 IJAARN COc1cc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)cc(OC)c1OC ZINC000001135741 556574099 /nfs/dbraw/zinc/57/40/99/556574099.db2.gz HOSHSTFTAHGRNA-UHFFFAOYSA-N 0 0 446.455 4.629 50 0 biogenic IJAARN Cc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)no1 ZINC000002261981 556574747 /nfs/dbraw/zinc/57/47/47/556574747.db2.gz RKURDFRODCNZDK-TZMCWYRMSA-N 0 0 425.798 4.746 50 0 IJAARN CCOc1ccc(-n2c(CN[C@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000016047203 556580593 /nfs/dbraw/zinc/58/05/93/556580593.db2.gz SMKOYBMBPBQLKV-DEOSSOPVSA-N 0 0 425.532 4.952 50 0 IJAARN O=C(NCc1ccccc1F)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccc(F)c2)C1 ZINC000034709688 556581163 /nfs/dbraw/zinc/58/11/63/556581163.db2.gz UDZWPUMIMNTKJB-FGZHOGPDSA-N 0 0 434.486 4.527 50 0 IJAARN CNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 ZINC000016064118 556581614 /nfs/dbraw/zinc/58/16/14/556581614.db2.gz XSIPVTKZGIDBPO-UHFFFAOYSA-N 0 0 438.940 4.720 50 0 IJAARN CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)N[C@H](c2cc(OC)ccc2OC)[C@H]1C ZINC000245295481 556583490 /nfs/dbraw/zinc/58/34/90/556583490.db2.gz GIMAZQRNBHQQHN-LOBSNCSYSA-N 0 0 429.557 4.664 50 0 IJAARN COc1ccc(OC)c(CN(Cc2nc(C(=O)NC(C)C)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073342 556592646 /nfs/dbraw/zinc/59/26/46/556592646.db2.gz LOZGJYMHVOTGSZ-SFHVURJKSA-N 0 0 437.540 4.593 50 0 IJAARN CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@@H](CC)C(=O)c1ccccc1 ZINC000016266509 556595616 /nfs/dbraw/zinc/59/56/16/556595616.db2.gz DEMNVRRDPCBGRC-ATZDWAIDSA-N 0 0 445.309 4.540 50 0 IJAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032914160 556596480 /nfs/dbraw/zinc/59/64/80/556596480.db2.gz QKEHVSDWBFQHDJ-UHFFFAOYSA-N 0 0 429.948 4.797 50 0 IJAARN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Br ZINC000016282207 556596709 /nfs/dbraw/zinc/59/67/09/556596709.db2.gz MVGYOJYGJCBBOY-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(C)c2)cc1 ZINC000016309964 556599291 /nfs/dbraw/zinc/59/92/91/556599291.db2.gz ZYYVEUSNQIPKRL-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)Nc4ccccc4)[C@H](C)C3)ncn2)c1 ZINC000037285043 556601437 /nfs/dbraw/zinc/60/14/37/556601437.db2.gz JMQSSMKTPUSPJU-QGZVFWFLSA-N 0 0 437.931 4.973 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000016347071 556601609 /nfs/dbraw/zinc/60/16/09/556601609.db2.gz RSLFPPQWWYDRTJ-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)cc1 ZINC000032983487 556602347 /nfs/dbraw/zinc/60/23/47/556602347.db2.gz QANXLNYYKJLIQQ-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN COc1ccccc1/C=C1/Oc2ccc(C(=O)NCc3cccc(Cl)c3)cc2NC1=O ZINC000032983657 556603637 /nfs/dbraw/zinc/60/36/37/556603637.db2.gz UIFAUPQPZVRINA-LPYMAVHISA-N 0 0 434.879 4.651 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032983646 556603698 /nfs/dbraw/zinc/60/36/98/556603698.db2.gz MAJAEJUWKRNKRS-ZDUSSCGKSA-N 0 0 426.592 4.799 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016447529 556608014 /nfs/dbraw/zinc/60/80/14/556608014.db2.gz YNYTYTWATHHLDM-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccccc1CSc1nc2ccccc2o1 ZINC000032988888 556608983 /nfs/dbraw/zinc/60/89/83/556608983.db2.gz MEDYHZOFFCOXJI-UHFFFAOYSA-N 0 0 431.473 4.703 50 0 IJAARN Cc1nc2ncnn2c(Sc2ccccc2NC(=O)c2ccc(Br)o2)c1C ZINC000032995744 556611016 /nfs/dbraw/zinc/61/10/16/556611016.db2.gz IFFMJQRKCRLQKC-UHFFFAOYSA-N 0 0 444.314 4.500 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000038486529 556612606 /nfs/dbraw/zinc/61/26/06/556612606.db2.gz AIIMKDOMWHGLTF-UHFFFAOYSA-N 0 0 427.888 4.865 50 0 IJAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C(C)C)n2)cc1NC(=O)C(C)C ZINC000016649919 556620397 /nfs/dbraw/zinc/62/03/97/556620397.db2.gz LMJFJUFWXQUCRT-UHFFFAOYSA-N 0 0 446.551 4.575 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1 ZINC000032998973 556626988 /nfs/dbraw/zinc/62/69/88/556626988.db2.gz GFQRFWJWKIGLQC-UHFFFAOYSA-N 0 0 427.529 4.622 50 0 IJAARN CCN(Cc1cccs1)C(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000011706927 556627607 /nfs/dbraw/zinc/62/76/07/556627607.db2.gz RUKWSKKRJBSQKH-UHFFFAOYSA-N 0 0 439.537 4.537 50 0 IJAARN Cc1ccccc1NC(=O)N(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(C)C ZINC000033766045 556631855 /nfs/dbraw/zinc/63/18/55/556631855.db2.gz JIIBSXHISUJWJQ-VWLOTQADSA-N 0 0 448.542 4.810 50 0 IJAARN O=c1/c(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2nc(-c3cccs3)nn12 ZINC000016733919 556632444 /nfs/dbraw/zinc/63/24/44/556632444.db2.gz WAXIESRATGXSOU-CXUHLZMHSA-N 0 0 446.340 4.994 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(C)cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000016736391 556633234 /nfs/dbraw/zinc/63/32/34/556633234.db2.gz FKSXMNUZZUPJRD-UHFFFAOYSA-N 0 0 441.531 4.648 50 0 IJAARN CCOc1ccc(C(=O)N2CC[C@@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)cc1 ZINC000097938665 556635122 /nfs/dbraw/zinc/63/51/22/556635122.db2.gz CQMGUGOCXRKFEL-HXUWFJFHSA-N 0 0 442.519 4.593 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000097938690 556635495 /nfs/dbraw/zinc/63/54/95/556635495.db2.gz ADHQIMLVRWLRHY-LJQANCHMSA-N 0 0 431.471 4.725 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000016749769 556636832 /nfs/dbraw/zinc/63/68/32/556636832.db2.gz JEDAHVKHTLHWPH-XMMPIXPASA-N 0 0 425.484 4.980 50 0 IJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000016753284 556638506 /nfs/dbraw/zinc/63/85/06/556638506.db2.gz YJYDBNMPKNIQRF-LRTDBIEQSA-N 0 0 444.318 4.813 50 0 IJAARN COc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1O ZINC000409414099 556639489 /nfs/dbraw/zinc/63/94/89/556639489.db2.gz NZAQNVXXFHQUMI-QFIPXVFZSA-N 0 0 431.492 4.786 50 0 IJAARN COc1ccc2[nH]c(SCc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)nc2c1 ZINC000016804631 556643137 /nfs/dbraw/zinc/64/31/37/556643137.db2.gz GZSMWXFPHFZVGW-UHFFFAOYSA-N 0 0 432.480 4.702 50 0 IJAARN CC(C)Cn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)NCc1cccs1 ZINC000016835260 556645583 /nfs/dbraw/zinc/64/55/83/556645583.db2.gz ALXHMNCMUFRLKY-CYBMUJFWSA-N 0 0 436.002 4.564 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3OC)cc12 ZINC000016842058 556646332 /nfs/dbraw/zinc/64/63/32/556646332.db2.gz IMFGKNSOCPVAIK-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCC3CC3)c2)c1 ZINC000037601439 556646457 /nfs/dbraw/zinc/64/64/57/556646457.db2.gz WCNPBZZOXQIQDV-UHFFFAOYSA-N 0 0 446.522 4.750 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)N1CCCc2ccccc21 ZINC000016844949 556646559 /nfs/dbraw/zinc/64/65/59/556646559.db2.gz NYSIFKZCDAADNH-UHFFFAOYSA-N 0 0 447.585 4.734 50 0 IJAARN CN(CC(=O)NC(C)(C)C)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S ZINC000016844802 556646599 /nfs/dbraw/zinc/64/65/99/556646599.db2.gz ZPFCGXCYOABTAQ-UHFFFAOYSA-N 0 0 444.004 4.528 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1C ZINC000016846893 556647498 /nfs/dbraw/zinc/64/74/98/556647498.db2.gz WYPGGIGFWXZZMJ-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN COc1ccc(OC)c(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016944482 556649517 /nfs/dbraw/zinc/64/95/17/556649517.db2.gz HPAYURPBKQSSAZ-UHFFFAOYSA-N 0 0 430.512 4.567 50 0 IJAARN COc1ccc(Cl)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 ZINC000016955237 556650377 /nfs/dbraw/zinc/65/03/77/556650377.db2.gz HQATVEWWRRGHMP-UHFFFAOYSA-N 0 0 425.920 4.905 50 0 IJAARN Cc1nc2scc(-c3cccc(NC(=O)[C@@H](C)Oc4cccc(F)c4)c3)n2c(=O)c1C ZINC000011773385 556655027 /nfs/dbraw/zinc/65/50/27/556655027.db2.gz GDZIEIUUOHUMCA-OAHLLOKOSA-N 0 0 437.496 4.585 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3)c2cc1C ZINC000033005955 556655292 /nfs/dbraw/zinc/65/52/92/556655292.db2.gz NBWHAEYQTNIFJH-UHFFFAOYSA-N 0 0 445.950 4.953 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c1C ZINC000017096140 556659718 /nfs/dbraw/zinc/65/97/18/556659718.db2.gz RGWDXEARDGQJKP-UHFFFAOYSA-N 0 0 428.642 4.724 50 0 IJAARN COc1cccc(C[C@H](C2CCN(C(=O)[C@H]3CC=CCC3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000011838898 556659912 /nfs/dbraw/zinc/65/99/12/556659912.db2.gz VQIKSHWPPLHZEP-UKILVPOCSA-N 0 0 440.628 4.706 50 0 IJAARN COc1cccc(C[C@@H](C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)N(C)C(=O)CC(C)C)c1 ZINC000011838899 556659923 /nfs/dbraw/zinc/65/99/23/556659923.db2.gz VQIKSHWPPLHZEP-NOZRDPDXSA-N 0 0 440.628 4.706 50 0 IJAARN CCOc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 ZINC000033012399 556661423 /nfs/dbraw/zinc/66/14/23/556661423.db2.gz NSLUAFSSFXNJOI-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000033012676 556661540 /nfs/dbraw/zinc/66/15/40/556661540.db2.gz YFJYELFDDSLJNG-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000011852507 556662576 /nfs/dbraw/zinc/66/25/76/556662576.db2.gz PELNZENECXEVKP-QHCPKHFHSA-N 0 0 432.545 4.727 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013480 556664000 /nfs/dbraw/zinc/66/40/00/556664000.db2.gz FIKDFADUCWKSQP-UHFFFAOYSA-N 0 0 441.553 4.614 50 0 IJAARN COc1ccc(-c2c(C)c3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3oc2=O)cc1 ZINC000011865118 556664943 /nfs/dbraw/zinc/66/49/43/556664943.db2.gz GCDHXUZUAJLSNS-UHFFFAOYSA-N 0 0 440.448 4.684 50 0 IJAARN CC(C)OCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc3c(c2)OCO3)n1 ZINC000017113531 556668049 /nfs/dbraw/zinc/66/80/49/556668049.db2.gz OIIKHWURAZQRKB-UHFFFAOYSA-N 0 0 446.511 4.515 50 0 IJAARN COc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccc(C)c(Cl)c4)n3c12 ZINC000011903261 556669999 /nfs/dbraw/zinc/66/99/99/556669999.db2.gz YXAXVCCPBKJKII-UHFFFAOYSA-N 0 0 426.929 4.892 50 0 IJAARN Ic1ccc2ncnc(Nc3ccc(Cc4ccncc4)cc3)c2c1 ZINC000011906968 556671809 /nfs/dbraw/zinc/67/18/09/556671809.db2.gz VDYWSLXCWMLHBT-UHFFFAOYSA-N 0 0 438.272 4.964 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 ZINC000017307861 556675007 /nfs/dbraw/zinc/67/50/07/556675007.db2.gz RZKDOZGUXHOCDD-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN Cc1oc(-c2ccccc2)nc1CN(c1ccc(Br)cc1C)S(C)(=O)=O ZINC000032932709 556675770 /nfs/dbraw/zinc/67/57/70/556675770.db2.gz BMPJVZJWVWNYHV-UHFFFAOYSA-N 0 0 435.343 4.687 50 0 IJAARN Cc1nc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3Br)cc2s1 ZINC000032932075 556676867 /nfs/dbraw/zinc/67/68/67/556676867.db2.gz BNMHEMOMTBKFRC-UHFFFAOYSA-N 0 0 431.290 4.944 50 0 IJAARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC(C)(C)C ZINC000033860115 556677580 /nfs/dbraw/zinc/67/75/80/556677580.db2.gz ZCBVTNUHUFPSAE-UHFFFAOYSA-N 0 0 436.549 4.560 50 0 IJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000017823668 556679666 /nfs/dbraw/zinc/67/96/66/556679666.db2.gz ZTJMXKJXJKCFMB-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN O=C(COc1ccc(Br)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000011999839 556679898 /nfs/dbraw/zinc/67/98/98/556679898.db2.gz FBSAFDDTWXATJZ-UHFFFAOYSA-N 0 0 431.355 4.844 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3ccc(Br)cc3)C(=O)[C@H]2C1 ZINC000017986978 556680725 /nfs/dbraw/zinc/68/07/25/556680725.db2.gz BERXNMPMOXOUNS-IRXDYDNUSA-N 0 0 440.293 4.514 50 0 IJAARN CCOC(=O)Nc1ccc2c(COC(=O)CCCc3c[nH]c4ccccc34)cc(=O)oc2c1 ZINC000010625460 556681491 /nfs/dbraw/zinc/68/14/91/556681491.db2.gz TWZOIUGRNMIZOH-UHFFFAOYSA-N 0 0 448.475 4.909 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000010629518 556683054 /nfs/dbraw/zinc/68/30/54/556683054.db2.gz KCUXSAAXLVAWIL-HNNXBMFYSA-N 0 0 429.851 4.761 50 0 IJAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](Cc4ccccc4)C[C@H]32)C(=O)O1 ZINC000247940756 556686391 /nfs/dbraw/zinc/68/63/91/556686391.db2.gz GGWQNCHYUDPHSC-UTKZUKDTSA-N 0 0 439.939 4.546 50 0 IJAARN COCCn1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)ccc21 ZINC000252488856 556690139 /nfs/dbraw/zinc/69/01/39/556690139.db2.gz JAQMISTZBJDOEW-DEOSSOPVSA-N 0 0 438.531 4.878 50 0 IJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000046006746 556690992 /nfs/dbraw/zinc/69/09/92/556690992.db2.gz XMKSVPUZDIXNIU-UHFFFAOYSA-N 0 0 436.462 4.895 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)cc1 ZINC000046141364 556692757 /nfs/dbraw/zinc/69/27/57/556692757.db2.gz KZULANITRQPCSV-UHFFFAOYSA-N 0 0 445.497 4.722 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1OCC ZINC000072034106 556695495 /nfs/dbraw/zinc/69/54/95/556695495.db2.gz AVAWVCVARHLNDZ-UHFFFAOYSA-N 0 0 432.948 4.612 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1 ZINC000033025464 556700797 /nfs/dbraw/zinc/70/07/97/556700797.db2.gz NLEOVKGKBUBMIG-UHFFFAOYSA-N 0 0 427.936 4.963 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027896 556708096 /nfs/dbraw/zinc/70/80/96/556708096.db2.gz USZSABDPJJJXFZ-CYBMUJFWSA-N 0 0 444.944 4.551 50 0 IJAARN COc1ccc2cc(CNC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)ccc2c1 ZINC000011123787 556710116 /nfs/dbraw/zinc/71/01/16/556710116.db2.gz CTJNPWMXBMVVMH-OAQYLSRUSA-N 0 0 436.939 4.670 50 0 IJAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000019228688 556717633 /nfs/dbraw/zinc/71/76/33/556717633.db2.gz CFPLWTHOHFZBCK-XMMPIXPASA-N 0 0 431.536 4.581 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)o2)cc(OCC)c1OCC ZINC000005169571 556719494 /nfs/dbraw/zinc/71/94/94/556719494.db2.gz DELPYKCLJVBZEH-UHFFFAOYSA-N 0 0 425.485 4.802 50 0 IJAARN COc1cc(CCC(=O)Nc2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2)on1 ZINC000013727702 556720607 /nfs/dbraw/zinc/72/06/07/556720607.db2.gz WEUYXGQGFHBGLN-UHFFFAOYSA-N 0 0 434.448 4.549 50 0 IJAARN Cc1ccc(CNC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038221 556724678 /nfs/dbraw/zinc/72/46/78/556724678.db2.gz UAQHENFEFYBBCD-UHFFFAOYSA-N 0 0 426.520 4.706 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000019298296 556734787 /nfs/dbraw/zinc/73/47/87/556734787.db2.gz KHULMNXKZIIBHG-UHFFFAOYSA-N 0 0 425.485 4.988 50 0 IJAARN COc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1OC ZINC000033048097 556743450 /nfs/dbraw/zinc/74/34/50/556743450.db2.gz XMOPXIKONSGFQY-UHFFFAOYSA-N 0 0 448.498 4.597 50 0 IJAARN CCCCc1cc(=O)oc2cc(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc12 ZINC000005244388 556746845 /nfs/dbraw/zinc/74/68/45/556746845.db2.gz YSQJSUONMUNBNC-UHFFFAOYSA-N 0 0 429.513 4.688 50 0 IJAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)COc3ccccc3F)cc2Cl)n1 ZINC000058014369 556753690 /nfs/dbraw/zinc/75/36/90/556753690.db2.gz IBNCIIVXIHSVSB-OAHLLOKOSA-N 0 0 444.894 4.510 50 0 IJAARN C[C@H](c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1nc(C2CC2)n(-c2ccccc2)n1 ZINC000058018665 556754327 /nfs/dbraw/zinc/75/43/27/556754327.db2.gz AZQALPRADLJQID-CYBMUJFWSA-N 0 0 437.443 4.578 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)NC1CCCCCC1 ZINC000002478149 556761474 /nfs/dbraw/zinc/76/14/74/556761474.db2.gz LJWGWJLCHFYATI-UHFFFAOYSA-N 0 0 445.279 4.988 50 0 IJAARN Cc1cc(=O)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nn1-c1ccccc1Cl ZINC000005279308 556762201 /nfs/dbraw/zinc/76/22/01/556762201.db2.gz OYGWLUGVBJWSJW-KSKOPSKJSA-N 0 0 425.960 4.529 50 0 IJAARN COc1ccc(C2=CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)cc1 ZINC000061965925 556762901 /nfs/dbraw/zinc/76/29/01/556762901.db2.gz HCVIUGFJSKXEPN-UHFFFAOYSA-N 0 0 438.325 4.777 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)cs2)n1 ZINC000062022566 556765921 /nfs/dbraw/zinc/76/59/21/556765921.db2.gz OZUGOPRMTYBVCU-UHFFFAOYSA-N 0 0 448.379 4.859 50 0 IJAARN COc1ccccc1C1=NN(C(C)=O)[C@H]([C@H]2CC(c3ccsc3)=NN2c2ccccc2)C1 ZINC000206590230 556767714 /nfs/dbraw/zinc/76/77/14/556767714.db2.gz FLPXCPXXLGASFV-BJKOFHAPSA-N 0 0 444.560 4.765 50 0 IJAARN COc1ccccc1C1=NN(C(C)=O)[C@@H]([C@@H]2CC(c3ccsc3)=NN2c2ccccc2)C1 ZINC000206590192 556767813 /nfs/dbraw/zinc/76/78/13/556767813.db2.gz FLPXCPXXLGASFV-RPWUZVMVSA-N 0 0 444.560 4.765 50 0 IJAARN CCc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccc(F)c2)cc1 ZINC000058171270 556768342 /nfs/dbraw/zinc/76/83/42/556768342.db2.gz CDNSFURZMGJEGQ-SANMLTNESA-N 0 0 445.538 4.598 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccncc2)no1 ZINC000058244760 556774974 /nfs/dbraw/zinc/77/49/74/556774974.db2.gz WHQCSSSMUDDTPK-HXUWFJFHSA-N 0 0 436.443 4.570 50 0 IJAARN CCn1ccnc1C=C(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl ZINC000058314180 556780343 /nfs/dbraw/zinc/78/03/43/556780343.db2.gz KSHBZADARJBYER-UHFFFAOYSA-N 0 0 429.307 4.871 50 0 IJAARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000058394187 556785345 /nfs/dbraw/zinc/78/53/45/556785345.db2.gz GEHRSMLVSYOXPK-UHFFFAOYSA-N 0 0 437.110 4.658 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3nc4cc(C)ccc4[nH]3)c(=O)oc2c1 ZINC000058402675 556785389 /nfs/dbraw/zinc/78/53/89/556785389.db2.gz ZDTMSIHRXCWDPM-QFIPXVFZSA-N 0 0 445.519 4.591 50 0 IJAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CC[C@H]1c1ccccc1 ZINC000058411429 556786322 /nfs/dbraw/zinc/78/63/22/556786322.db2.gz ASPUWAAHCGUUOO-INIZCTEOSA-N 0 0 435.368 4.708 50 0 IJAARN CC(C)[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1nc(-c2ccccc2)no1 ZINC000058428131 556787825 /nfs/dbraw/zinc/78/78/25/556787825.db2.gz ZFBWLEINVPDKAH-SFHVURJKSA-N 0 0 427.888 4.678 50 0 IJAARN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1SC1CCCC1 ZINC000058438602 556788412 /nfs/dbraw/zinc/78/84/12/556788412.db2.gz RYHFBPZGWMEBSL-UHFFFAOYSA-N 0 0 434.565 4.746 50 0 IJAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cnc(SC)nc3)CC2)c1 ZINC000019537347 556794494 /nfs/dbraw/zinc/79/44/94/556794494.db2.gz LFUMBFVMRMRAPG-UHFFFAOYSA-N 0 0 448.592 4.725 50 0 IJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000002649415 556802169 /nfs/dbraw/zinc/80/21/69/556802169.db2.gz JSIGYESMNTUXMZ-QPJJXVBHSA-N 0 0 446.252 4.928 50 0 IJAARN CSc1ccccc1NC(=O)COc1ccc(Br)cc1Br ZINC000002647601 556802174 /nfs/dbraw/zinc/80/21/74/556802174.db2.gz AETMVZSQBVNKOO-UHFFFAOYSA-N 0 0 431.149 4.951 50 0 IJAARN CC(=O)c1sc(NC(=O)c2ccccc2I)nc1-c1ccccc1 ZINC000003169454 556803789 /nfs/dbraw/zinc/80/37/89/556803789.db2.gz HZPNLTLRRUFEKJ-UHFFFAOYSA-N 0 0 448.285 4.870 50 0 IJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 ZINC000003314693 556809760 /nfs/dbraw/zinc/80/97/60/556809760.db2.gz FZNCAJSHNJPLDV-UHFFFAOYSA-N 0 0 426.516 4.940 50 0 IJAARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1Cl ZINC000003316475 556809918 /nfs/dbraw/zinc/80/99/18/556809918.db2.gz ULOSBAOHLXIMQD-UHFFFAOYSA-N 0 0 435.134 4.745 50 0 IJAARN COc1cccc(/C=C(/C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2)c1 ZINC000003331681 556812493 /nfs/dbraw/zinc/81/24/93/556812493.db2.gz BAWKQGZCKCPICZ-QUESDIRFSA-N 0 0 427.500 4.757 50 0 IJAARN CC(C)CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000011209014 556814195 /nfs/dbraw/zinc/81/41/95/556814195.db2.gz UVLYGKBAEHNZML-UHFFFAOYSA-N 0 0 433.936 4.966 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003458214 556816097 /nfs/dbraw/zinc/81/60/97/556816097.db2.gz BAAJBWJOIQSJGP-UHFFFAOYSA-N 0 0 431.488 4.890 50 0 IJAARN CCc1ccc(OCc2nnc(SCc3cc(=O)c4cc(F)ccc4[nH]3)n2CC)cc1 ZINC000033067727 556819523 /nfs/dbraw/zinc/81/95/23/556819523.db2.gz MHSOBRQDYHVQRW-UHFFFAOYSA-N 0 0 438.528 4.712 50 0 IJAARN Cc1ccc(C)c(Cn2c(CCCNC(=O)COc3ccccc3)nc3ccccc32)c1 ZINC000005545929 556823035 /nfs/dbraw/zinc/82/30/35/556823035.db2.gz DWQBBHZMOKGXTD-UHFFFAOYSA-N 0 0 427.548 4.829 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2cccc(OC)c2)cc1 ZINC000033068695 556829165 /nfs/dbraw/zinc/82/91/65/556829165.db2.gz ZSPAWIHNEUXGKR-UHFFFAOYSA-N 0 0 445.544 4.969 50 0 IJAARN CN(Cc1ccco1)C(=O)c1ccc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000065002287 556830665 /nfs/dbraw/zinc/83/06/65/556830665.db2.gz RWQUXTMUXRUGLG-UHFFFAOYSA-N 0 0 444.510 4.566 50 0 IJAARN O=C(NCc1cccc(F)c1)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002550 556831038 /nfs/dbraw/zinc/83/10/38/556831038.db2.gz BEEUXPAIXIFICV-UHFFFAOYSA-N 0 0 440.522 4.631 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1C ZINC000065003709 556831778 /nfs/dbraw/zinc/83/17/78/556831778.db2.gz BWRNZBHUMNSYRY-FQEVSTJZSA-N 0 0 448.588 4.682 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000019630296 556832319 /nfs/dbraw/zinc/83/23/19/556832319.db2.gz KDIMZRIKJBDDCV-UHFFFAOYSA-N 0 0 439.581 4.886 50 0 IJAARN COc1cccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(F)cc2)c1 ZINC000033068872 556832986 /nfs/dbraw/zinc/83/29/86/556832986.db2.gz HZDCAYFMJANUOR-UHFFFAOYSA-N 0 0 447.535 4.777 50 0 IJAARN O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000072406055 556841999 /nfs/dbraw/zinc/84/19/99/556841999.db2.gz NNXDYIUFUBZUCK-DEOSSOPVSA-N 0 0 431.580 4.973 50 0 IJAARN C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008723999 556843426 /nfs/dbraw/zinc/84/34/26/556843426.db2.gz FDBQSFAQDVCIIC-MRVPVSSYSA-N 0 0 437.270 4.646 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1Br ZINC000008747229 556845396 /nfs/dbraw/zinc/84/53/96/556845396.db2.gz QSMLEMPCYXUMBS-UHFFFAOYSA-N 0 0 444.354 4.891 50 0 IJAARN Cc1nc(NC(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)c(Cl)cc1Cl ZINC000008850994 556850069 /nfs/dbraw/zinc/85/00/69/556850069.db2.gz BDKDHIPTPXWSMZ-UHFFFAOYSA-N 0 0 437.356 4.527 50 0 IJAARN Cc1cccc(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c1C ZINC000033073943 556853018 /nfs/dbraw/zinc/85/30/18/556853018.db2.gz VJARGOOYLLZXGT-UHFFFAOYSA-N 0 0 446.526 4.945 50 0 IJAARN Cc1cc(NC(=O)C2CCN(c3ccc(-n4cccc4)cn3)CC2)ccc1Br ZINC000033106203 556858607 /nfs/dbraw/zinc/85/86/07/556858607.db2.gz HVKKHVMZAMQAFN-UHFFFAOYSA-N 0 0 439.357 4.798 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106718 556859429 /nfs/dbraw/zinc/85/94/29/556859429.db2.gz AGZCZJZHEVRXEO-UHFFFAOYSA-N 0 0 430.939 4.700 50 0 IJAARN CCCOc1c2cc(NC(=O)c3ccc(NC(C)=O)cc3)ccc2sc1C(=O)OC ZINC000033123489 556863966 /nfs/dbraw/zinc/86/39/66/556863966.db2.gz MOHSMUXQAKDMQC-UHFFFAOYSA-N 0 0 426.494 4.687 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128722 556865763 /nfs/dbraw/zinc/86/57/63/556865763.db2.gz NNNDGJPZLGEPGW-UHFFFAOYSA-N 0 0 429.476 4.710 50 0 IJAARN OCCOc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cc(F)ccc2F)cc1 ZINC000019720989 556876351 /nfs/dbraw/zinc/87/63/51/556876351.db2.gz AQHBIQRUAWQIEP-AREMUKBSSA-N 0 0 434.486 4.965 50 0 IJAARN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Sc3ccc(C)cc3)C2)cc1 ZINC000033168693 556880874 /nfs/dbraw/zinc/88/08/74/556880874.db2.gz XJOYDQUPQBAPQD-NRFANRHFSA-N 0 0 432.593 4.777 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000033173783 556883872 /nfs/dbraw/zinc/88/38/72/556883872.db2.gz YSOZJLYGRQIMKB-UHFFFAOYSA-N 0 0 435.880 4.597 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033169573 556884668 /nfs/dbraw/zinc/88/46/68/556884668.db2.gz IGUFCXQCZYOCLG-QGZVFWFLSA-N 0 0 432.549 4.631 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)c(C)c1 ZINC000033249335 556889053 /nfs/dbraw/zinc/88/90/53/556889053.db2.gz ZKELYUZYWZCFND-UHFFFAOYSA-N 0 0 442.968 4.964 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000033249570 556889480 /nfs/dbraw/zinc/88/94/80/556889480.db2.gz KTZXITWTDOGSJY-HHHXNRCGSA-N 0 0 445.538 4.768 50 0 IJAARN CC(C)CCN1C(=O)c2c(-n3cccc3)c3ccccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249534 556889491 /nfs/dbraw/zinc/88/94/91/556889491.db2.gz MUPXTKIAJHJWCI-HHHXNRCGSA-N 0 0 446.595 4.751 50 0 IJAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)cc1OC ZINC000033250497 556891445 /nfs/dbraw/zinc/89/14/45/556891445.db2.gz UKJAHLFGZBXMID-MRXNPFEDSA-N 0 0 441.553 4.559 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(C)c4)cc3nc2N2CCCC2)cc1 ZINC000033251239 556892104 /nfs/dbraw/zinc/89/21/04/556892104.db2.gz VDRZAEFDPPNIPC-UHFFFAOYSA-N 0 0 438.531 4.855 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cccc(F)c4)cc3nc2N2CCCC2)cc1 ZINC000033251235 556892144 /nfs/dbraw/zinc/89/21/44/556892144.db2.gz NMGMWNWBMRYOMF-UHFFFAOYSA-N 0 0 442.494 4.686 50 0 IJAARN CCOc1ccc(CNC(=O)c2[nH]c3ccc(OC)cc3c2NC(=O)c2ccccc2)cc1 ZINC000033252548 556893148 /nfs/dbraw/zinc/89/31/48/556893148.db2.gz CESFSQSMMBCPDA-UHFFFAOYSA-N 0 0 443.503 4.758 50 0 IJAARN C[C@H](Cc1ccco1)NC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255178 556894726 /nfs/dbraw/zinc/89/47/26/556894726.db2.gz TYNSBXZFHWZOFA-GOSISDBHSA-N 0 0 443.503 4.541 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3C(C)C)cc2)c2c1CCCC2 ZINC000072242365 556901722 /nfs/dbraw/zinc/90/17/22/556901722.db2.gz YFNGSKWIQRIJGI-UHFFFAOYSA-N 0 0 425.554 4.684 50 0 IJAARN O=C(CSCc1ccc(-c2nc(-c3cccc(F)c3)no2)o1)NCc1ccc(F)cc1 ZINC000033262390 556902101 /nfs/dbraw/zinc/90/21/01/556902101.db2.gz AAJPMIKCPXFAQV-UHFFFAOYSA-N 0 0 441.459 4.824 50 0 IJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2Br)CC1 ZINC000019790266 556914963 /nfs/dbraw/zinc/91/49/63/556914963.db2.gz SLSGVHGJLIXERE-UHFFFAOYSA-N 0 0 449.392 4.925 50 0 IJAARN CC(C)OC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 ZINC000019809915 556918967 /nfs/dbraw/zinc/91/89/67/556918967.db2.gz DFMYSLKRSXWOHF-UHFFFAOYSA-N 0 0 428.282 4.943 50 0 IJAARN COc1ccc(-c2noc(CN(C)Cc3cc4ccccc4s3)n2)c(OC)c1OC ZINC000019840048 556929440 /nfs/dbraw/zinc/92/94/40/556929440.db2.gz LTPGUAHGWUFPNI-UHFFFAOYSA-N 0 0 425.510 4.609 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 ZINC000019860722 556933185 /nfs/dbraw/zinc/93/31/85/556933185.db2.gz YIILBSGKTSFJLJ-IBGZPJMESA-N 0 0 434.989 4.644 50 0 IJAARN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 ZINC000019880657 556937022 /nfs/dbraw/zinc/93/70/22/556937022.db2.gz CEFZBYWDQNHLIR-HSZRJFAPSA-N 0 0 436.577 4.993 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)c2c1 ZINC000019901891 556942031 /nfs/dbraw/zinc/94/20/31/556942031.db2.gz ZJGSKEPKQIMVCB-NRFANRHFSA-N 0 0 426.944 4.760 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(Cc2ccccc2F)CC1 ZINC000020028688 556967671 /nfs/dbraw/zinc/96/76/71/556967671.db2.gz LQZWZHMGHZAJQS-UHFFFAOYSA-N 0 0 434.298 4.746 50 0 IJAARN O=C(NCc1cccc(Cl)c1)C1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000033266620 556977368 /nfs/dbraw/zinc/97/73/68/556977368.db2.gz BVTLOBDXRGOOJW-UHFFFAOYSA-N 0 0 445.954 4.583 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 ZINC000020095516 556979516 /nfs/dbraw/zinc/97/95/16/556979516.db2.gz YQVOXNUSCGAFAG-DEOSSOPVSA-N 0 0 443.547 4.890 50 0 IJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1 ZINC000020103041 556980717 /nfs/dbraw/zinc/98/07/17/556980717.db2.gz CGLFIVLYGAOLJS-UHFFFAOYSA-N 0 0 438.892 4.747 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2Cl)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033268576 556985076 /nfs/dbraw/zinc/98/50/76/556985076.db2.gz RKRBXQJAUPMTHO-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN Cc1cc(SCC(=O)NCCCc2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268957 556986708 /nfs/dbraw/zinc/98/67/08/556986708.db2.gz DQDAIMKRNATAGW-UHFFFAOYSA-N 0 0 434.540 4.685 50 0 IJAARN Cc1cc(SCC(=O)NC[C@@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268976 556986953 /nfs/dbraw/zinc/98/69/53/556986953.db2.gz AZZUUGLBRUUIBH-MRXNPFEDSA-N 0 0 434.540 4.856 50 0 IJAARN COCCCNC(=O)/C(=C\c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 ZINC000023055226 556988998 /nfs/dbraw/zinc/98/89/98/556988998.db2.gz XPILGEFDIMUHDR-LTGZKZEYSA-N 0 0 438.911 4.524 50 0 IJAARN CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1 ZINC000023080055 556996846 /nfs/dbraw/zinc/99/68/46/556996846.db2.gz FIIAPIZWDPJSSF-UHFFFAOYSA-N 0 0 444.597 4.707 50 0 IJAARN CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000020213722 556999346 /nfs/dbraw/zinc/99/93/46/556999346.db2.gz SGGSZYVWIRHKKJ-UHFFFAOYSA-N 0 0 437.590 4.809 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000023101977 557001239 /nfs/dbraw/zinc/00/12/39/557001239.db2.gz SASUBSYBBQCBSI-UHFFFAOYSA-N 0 0 448.441 4.970 50 0 IJAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCOCC2)c1 ZINC000020326001 557008123 /nfs/dbraw/zinc/00/81/23/557008123.db2.gz JWRKRXAHDSZNLS-UHFFFAOYSA-N 0 0 427.552 4.530 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000020353766 557009630 /nfs/dbraw/zinc/00/96/30/557009630.db2.gz YUUXTBFTRDLRJF-QFIPXVFZSA-N 0 0 449.457 4.639 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCCCCC2)c2ccccc23)cc1 ZINC000020355931 557010036 /nfs/dbraw/zinc/01/00/36/557010036.db2.gz ZFGIFFZFDBULJY-UHFFFAOYSA-N 0 0 435.553 4.553 50 0 IJAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)cc1Cl ZINC000020356860 557010847 /nfs/dbraw/zinc/01/08/47/557010847.db2.gz BLRGVOSICYRHTJ-UHFFFAOYSA-N 0 0 442.924 4.998 50 0 IJAARN Cn1c(SCC(=O)NCCCc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000023127010 557011594 /nfs/dbraw/zinc/01/15/94/557011594.db2.gz BBNOXQCIQWALHL-UHFFFAOYSA-N 0 0 449.601 4.503 50 0 IJAARN O=C(COC(=O)Cc1cccs1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000032942919 557011905 /nfs/dbraw/zinc/01/19/05/557011905.db2.gz LAOBBOCLWYVKEQ-UHFFFAOYSA-N 0 0 439.558 4.644 50 0 IJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1C ZINC000020394799 557013378 /nfs/dbraw/zinc/01/33/78/557013378.db2.gz GJAKFAJDILBBOV-UHFFFAOYSA-N 0 0 437.590 4.864 50 0 IJAARN CN1CCN(c2nc3ccc(NC(=O)c4cc(Cl)sc4Cl)cc3s2)CC1 ZINC000023135838 557018929 /nfs/dbraw/zinc/01/89/29/557018929.db2.gz QCTWOFFRDZPOOT-UHFFFAOYSA-N 0 0 427.382 4.669 50 0 IJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccc(C)cc1)n2C ZINC000046017170 557020487 /nfs/dbraw/zinc/02/04/87/557020487.db2.gz XJFYCFXXNKMWHQ-IBGZPJMESA-N 0 0 449.576 4.644 50 0 IJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)C[C@H](C)S2 ZINC000032944006 557022757 /nfs/dbraw/zinc/02/27/57/557022757.db2.gz NUEWYMUBXKVOJQ-ZDUSSCGKSA-N 0 0 436.986 4.686 50 0 IJAARN CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(S(C)(=O)=O)c4)n3)oc21 ZINC000010750646 557024443 /nfs/dbraw/zinc/02/44/43/557024443.db2.gz KBKMNHHTBOZPCY-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000010755988 557024685 /nfs/dbraw/zinc/02/46/85/557024685.db2.gz CBHMJYOVDQYDAX-QGZVFWFLSA-N 0 0 442.562 4.580 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 ZINC000023142814 557025066 /nfs/dbraw/zinc/02/50/66/557025066.db2.gz BUQUTUPGCXTRMB-SFHVURJKSA-N 0 0 449.942 4.611 50 0 IJAARN Cc1oc(-c2cccs2)nc1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000010801178 557028075 /nfs/dbraw/zinc/02/80/75/557028075.db2.gz MLAXKCJRJKBZGV-MRXNPFEDSA-N 0 0 425.510 4.699 50 0 IJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)NC(=O)NC2CCCC2)n1 ZINC000032945185 557028335 /nfs/dbraw/zinc/02/83/35/557028335.db2.gz JSCZHZKQAZODSJ-UHFFFAOYSA-N 0 0 426.567 4.527 50 0 IJAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057127 557028710 /nfs/dbraw/zinc/02/87/10/557028710.db2.gz AVDYHTOCISYWBR-AWEZNQCLSA-N 0 0 446.251 4.530 50 0 IJAARN Cc1nn(-c2ccc(C)cc2C)c2c1[C@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046056898 557028802 /nfs/dbraw/zinc/02/88/02/557028802.db2.gz GLZSFUALYMFNCN-QGZVFWFLSA-N 0 0 438.325 4.869 50 0 IJAARN CN(c1ccc2sc(C(=O)NC3CCCCC3)cc2c1)S(=O)(=O)c1ccccc1 ZINC000046058468 557029521 /nfs/dbraw/zinc/02/95/21/557029521.db2.gz OEDATXIXWNHMET-UHFFFAOYSA-N 0 0 428.579 4.789 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046059043 557029782 /nfs/dbraw/zinc/02/97/82/557029782.db2.gz LOYJIUZNSZIHQU-INIZCTEOSA-N 0 0 430.595 4.953 50 0 IJAARN CCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000046059047 557029857 /nfs/dbraw/zinc/02/98/57/557029857.db2.gz WISDOPBGCCOKMT-UHFFFAOYSA-N 0 0 430.595 4.953 50 0 IJAARN Cc1nc2sc([C@H](c3cccc(F)c3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157364 557030570 /nfs/dbraw/zinc/03/05/70/557030570.db2.gz CQUGXLRUFZDQCO-NRFANRHFSA-N 0 0 436.556 4.988 50 0 IJAARN CS(=O)(=O)c1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(F)c3)sc2c1 ZINC000010834708 557033003 /nfs/dbraw/zinc/03/30/03/557033003.db2.gz WUPPPBNGHJALTI-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)c3ccccc3F)cc1C(=O)N2 ZINC000046077556 557033236 /nfs/dbraw/zinc/03/32/36/557033236.db2.gz QQXIKTRVRFDKEK-UHFFFAOYSA-N 0 0 446.887 4.971 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078892 557033855 /nfs/dbraw/zinc/03/38/55/557033855.db2.gz SZQMTCFEMHWVFS-UHFFFAOYSA-N 0 0 448.906 4.972 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)c1 ZINC000046079480 557034386 /nfs/dbraw/zinc/03/43/86/557034386.db2.gz UMDGHNOYWQYPFR-UHFFFAOYSA-N 0 0 443.547 4.766 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000046079531 557034595 /nfs/dbraw/zinc/03/45/95/557034595.db2.gz IXFDIJQPJIAGJH-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000046079794 557034933 /nfs/dbraw/zinc/03/49/33/557034933.db2.gz RJBHJCTWFQWFPL-LJQANCHMSA-N 0 0 429.520 4.825 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527667 557035347 /nfs/dbraw/zinc/03/53/47/557035347.db2.gz NYVQHPFTYZUGRQ-BBPDEKDOSA-N 0 0 440.568 4.903 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 ZINC000046122865 557036501 /nfs/dbraw/zinc/03/65/01/557036501.db2.gz ZCUPKCMEVZUFSP-AWEZNQCLSA-N 0 0 444.919 4.603 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)s2)cc1 ZINC000046122955 557036539 /nfs/dbraw/zinc/03/65/39/557036539.db2.gz FZRQSWZBYXWEDV-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000017191217 557036957 /nfs/dbraw/zinc/03/69/57/557036957.db2.gz OMJBQMAXGWKDAE-UHFFFAOYSA-N 0 0 440.952 4.663 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4cccc(Cl)c4)s3)C2)cc1 ZINC000046123398 557037099 /nfs/dbraw/zinc/03/70/99/557037099.db2.gz PYWSHXCTORGHTE-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000023175922 557037135 /nfs/dbraw/zinc/03/71/35/557037135.db2.gz AMWIHKFHXYIDLC-XMMPIXPASA-N 0 0 446.507 4.617 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN(C(=O)c3cccs3)C2)s1 ZINC000046123377 557037197 /nfs/dbraw/zinc/03/71/97/557037197.db2.gz PKUUUXLLKLEYPR-GFCCVEGCSA-N 0 0 432.958 4.525 50 0 IJAARN C[C@H](Cc1ccco1)NC(=O)[C@@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125114 557037893 /nfs/dbraw/zinc/03/78/93/557037893.db2.gz GVUFGOHHVBVDBT-CVEARBPZSA-N 0 0 441.959 4.650 50 0 IJAARN COc1ccc(OC)c(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)c1 ZINC000017245728 557044397 /nfs/dbraw/zinc/04/43/97/557044397.db2.gz ZCPUKTTXOZKRMO-QGZVFWFLSA-N 0 0 444.539 4.813 50 0 IJAARN C[C@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181372 557045314 /nfs/dbraw/zinc/04/53/14/557045314.db2.gz IENLYVGTSNQQPQ-FDDCHVKYSA-N 0 0 439.556 4.928 50 0 IJAARN CN(c1ccccc1)c1ccccc1NC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000048234718 557046600 /nfs/dbraw/zinc/04/66/00/557046600.db2.gz UBFGHXSICRVRFA-HSZRJFAPSA-N 0 0 428.536 4.940 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000033270864 557047730 /nfs/dbraw/zinc/04/77/30/557047730.db2.gz YRUOBENCUUKOTG-UHFFFAOYSA-N 0 0 428.514 4.990 50 0 IJAARN Clc1ccc(CN2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000022923529 557047751 /nfs/dbraw/zinc/04/77/51/557047751.db2.gz YXTZSFQRJUECPO-UHFFFAOYSA-N 0 0 427.957 4.510 50 0 IJAARN CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1cccc(OC)c1 ZINC000017268677 557048074 /nfs/dbraw/zinc/04/80/74/557048074.db2.gz RHLPCLLLRUCFRI-HXUWFJFHSA-N 0 0 436.537 4.858 50 0 IJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cnc(-c2ccccc2)nc1 ZINC000048260187 557048985 /nfs/dbraw/zinc/04/89/85/557048985.db2.gz DPQJOHDKOLPIFJ-KRWDZBQOSA-N 0 0 444.438 4.604 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3OC)sc2c1 ZINC000033271675 557049795 /nfs/dbraw/zinc/04/97/95/557049795.db2.gz XEXYZCZPLRYICZ-INIZCTEOSA-N 0 0 434.521 4.672 50 0 IJAARN CCc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1 ZINC000022930964 557050109 /nfs/dbraw/zinc/05/01/09/557050109.db2.gz MZAWPPPCEZBJSK-UHFFFAOYSA-N 0 0 448.636 4.746 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272029 557050719 /nfs/dbraw/zinc/05/07/19/557050719.db2.gz XKUCDRSMINTBIU-UHFFFAOYSA-N 0 0 430.888 4.845 50 0 IJAARN Cc1ccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4F)s3)CC2)cc1 ZINC000033273137 557051144 /nfs/dbraw/zinc/05/11/44/557051144.db2.gz CWSTZXQJARXVMB-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CC[C@H](C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1)c1ccccc1 ZINC000033272890 557052941 /nfs/dbraw/zinc/05/29/41/557052941.db2.gz YVLZLIIYIDVPHE-FQEVSTJZSA-N 0 0 434.565 4.690 50 0 IJAARN CC(C)n1c(=O)c2c(nc1SCC(=O)NC1CCCCC1)c(-c1ccccc1)cn2C ZINC000033273916 557053141 /nfs/dbraw/zinc/05/31/41/557053141.db2.gz QIKFDEAZPCRUKV-UHFFFAOYSA-N 0 0 438.597 4.524 50 0 IJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000022977994 557055797 /nfs/dbraw/zinc/05/57/97/557055797.db2.gz QHBJEUWYAJHEAF-UHFFFAOYSA-N 0 0 432.885 4.644 50 0 IJAARN O=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCN(c2ccccc2F)CC1 ZINC000033279071 557061105 /nfs/dbraw/zinc/06/11/05/557061105.db2.gz HQIRMPRACJWMMF-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN CCOc1ccccc1NC(=O)N[C@@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948887 557063072 /nfs/dbraw/zinc/06/30/72/557063072.db2.gz BSUWVNHTJJARAD-FQEVSTJZSA-N 0 0 436.483 4.929 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC=CC[C@@H]1c1nc3ccccc3s1)CC2 ZINC000048302530 557063612 /nfs/dbraw/zinc/06/36/12/557063612.db2.gz RQNSQXKYTQEQQF-OALUTQOASA-N 0 0 434.561 4.948 50 0 IJAARN CN(C[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1)C(=O)OC(C)(C)C ZINC000048302987 557064340 /nfs/dbraw/zinc/06/43/40/557064340.db2.gz MZLVVQYFJVQJRR-IBGZPJMESA-N 0 0 426.557 4.985 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1Cl ZINC000033288158 557065252 /nfs/dbraw/zinc/06/52/52/557065252.db2.gz VIUWDRRFSMKMDZ-UHFFFAOYSA-N 0 0 447.922 4.846 50 0 IJAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000033287784 557065276 /nfs/dbraw/zinc/06/52/76/557065276.db2.gz AHLULFNANQGQRK-UHFFFAOYSA-N 0 0 438.531 4.691 50 0 IJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000033288308 557065582 /nfs/dbraw/zinc/06/55/82/557065582.db2.gz WZJHXQIECFNIGD-UHFFFAOYSA-N 0 0 444.535 4.889 50 0 IJAARN O=C(NCc1cccc(OCc2ccccn2)c1)[C@H](OCC(F)(F)F)c1ccccc1 ZINC000048332058 557069860 /nfs/dbraw/zinc/06/98/60/557069860.db2.gz IBQRPAWWVZQUPG-OAQYLSRUSA-N 0 0 430.426 4.597 50 0 IJAARN CCCN1CCN(C(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)CC1 ZINC000033289239 557070571 /nfs/dbraw/zinc/07/05/71/557070571.db2.gz VIHXKHKWSGAANA-UHFFFAOYSA-N 0 0 434.565 4.588 50 0 IJAARN O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000048341851 557071010 /nfs/dbraw/zinc/07/10/10/557071010.db2.gz ZGUWGZTZLUOMNB-SFHVURJKSA-N 0 0 445.466 4.882 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(NC(=O)CC)c4)no3)C2)cc1 ZINC000033289843 557071571 /nfs/dbraw/zinc/07/15/71/557071571.db2.gz VUUBQFQYOWJIBT-LJQANCHMSA-N 0 0 448.523 4.504 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)n2)c1 ZINC000033289873 557071613 /nfs/dbraw/zinc/07/16/13/557071613.db2.gz WTGZXHJKXMXVMM-GOSISDBHSA-N 0 0 443.507 4.586 50 0 IJAARN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000033293948 557072160 /nfs/dbraw/zinc/07/21/60/557072160.db2.gz GOQYFGPLSWYKHI-HMAPJEAMSA-N 0 0 432.501 4.906 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000033297874 557073513 /nfs/dbraw/zinc/07/35/13/557073513.db2.gz ZPNKTRRHFHZURR-WDZFZDKYSA-N 0 0 447.463 4.581 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000048355042 557073719 /nfs/dbraw/zinc/07/37/19/557073719.db2.gz MGUHUPGKIAZPMC-UHFFFAOYSA-N 0 0 433.430 4.830 50 0 IJAARN COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2N)cc1Cl ZINC000049001873 557081089 /nfs/dbraw/zinc/08/10/89/557081089.db2.gz KZMAJBOYINDGMD-UHFFFAOYSA-N 0 0 441.944 4.927 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)c1 ZINC000049001761 557081179 /nfs/dbraw/zinc/08/11/79/557081179.db2.gz IGELBKGKWOKRLO-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN CCOC(=O)c1sc2nc(CSc3nc4cc(Cl)ccc4[nH]3)nc(N)c2c1C ZINC000011322503 557088557 /nfs/dbraw/zinc/08/85/57/557088557.db2.gz RZHHDWWZQDLFLY-UHFFFAOYSA-N 0 0 433.946 4.581 50 0 IJAARN O=C(Cc1csc(Nc2ccccn2)n1)NCc1ccc(OCc2ccccc2)cc1 ZINC000049029556 557088983 /nfs/dbraw/zinc/08/89/83/557088983.db2.gz UAXPXIKRDRLXMR-UHFFFAOYSA-N 0 0 430.533 4.720 50 0 IJAARN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)n3c4ccccc4nc32)cc1 ZINC000023382090 557089210 /nfs/dbraw/zinc/08/92/10/557089210.db2.gz LXFVQOVXZXOIND-JOCHJYFZSA-N 0 0 428.467 4.601 50 0 IJAARN COc1cc2c(cc1OC)[C@H](C(=O)NC1CCCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004760135 557090397 /nfs/dbraw/zinc/09/03/97/557090397.db2.gz YEFNHDWBEHEITJ-FCHUYYIVSA-N 0 0 442.581 4.515 50 0 IJAARN O=C(c1ccccc1OCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)N1CCCCC1 ZINC000033310333 557093851 /nfs/dbraw/zinc/09/38/51/557093851.db2.gz RKYLPKXZUNYEEC-UHFFFAOYSA-N 0 0 446.591 4.662 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c1)N1CCCCC1 ZINC000033311263 557094926 /nfs/dbraw/zinc/09/49/26/557094926.db2.gz PUPBGRNLGZMULC-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN Cc1nc(C2(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)CCCCC2)no1 ZINC000023508475 557095132 /nfs/dbraw/zinc/09/51/32/557095132.db2.gz BGPPLIXDHPZWFH-UHFFFAOYSA-N 0 0 446.960 4.585 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405174 557100373 /nfs/dbraw/zinc/10/03/73/557100373.db2.gz WOONZOGVRWGFEV-UHFFFAOYSA-N 0 0 438.528 4.696 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(C(C)C)cc3)cccn12 ZINC000049405177 557100454 /nfs/dbraw/zinc/10/04/54/557100454.db2.gz IQIVKOXSRYPJFC-UHFFFAOYSA-N 0 0 438.528 4.696 50 0 IJAARN Cc1c(-c2ccccc2)sc(NC(=O)CSC(C)(C)C)c1C(=O)N1CCOCC1 ZINC000023686385 557106696 /nfs/dbraw/zinc/10/66/96/557106696.db2.gz ACKSZLMHYZSVFV-UHFFFAOYSA-N 0 0 432.611 4.666 50 0 IJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3C)n2)cc1 ZINC000033324975 557106962 /nfs/dbraw/zinc/10/69/62/557106962.db2.gz ZLLMFKWKQYOYRS-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)NCc4ccc(F)cc4)c3)cc2)cc1 ZINC000049422055 557108983 /nfs/dbraw/zinc/10/89/83/557108983.db2.gz XAKDDUBZYKICQB-UHFFFAOYSA-N 0 0 442.494 4.561 50 0 IJAARN COc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4C)c3)cc2)c1 ZINC000049422221 557109195 /nfs/dbraw/zinc/10/91/95/557109195.db2.gz ADYRSVBYUHATSH-UHFFFAOYSA-N 0 0 440.503 4.753 50 0 IJAARN Cc1cc(-c2ccccc2)c2c(n1)sc1c2ncn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000049422310 557109218 /nfs/dbraw/zinc/10/92/18/557109218.db2.gz NKWOSNYJFRPWFU-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN CCOc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4OC)c3)no2)cc1 ZINC000033327414 557110029 /nfs/dbraw/zinc/11/00/29/557110029.db2.gz SELPMBLDPIWYKT-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)N1CCC(Oc2nc3c(cc(F)cc3F)s2)CC1 ZINC000049435189 557110211 /nfs/dbraw/zinc/11/02/11/557110211.db2.gz NCOBXTFTKMBFSY-UHFFFAOYSA-N 0 0 440.874 4.980 50 0 IJAARN COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)ccc1OC(C)C ZINC000049545152 557111109 /nfs/dbraw/zinc/11/11/09/557111109.db2.gz WHUNHGQBIFFFMG-KRWDZBQOSA-N 0 0 442.512 4.582 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Br ZINC000000683072 557114751 /nfs/dbraw/zinc/11/47/51/557114751.db2.gz ABZGOOPOZGPGMM-UHFFFAOYSA-N 0 0 427.092 4.641 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1Br ZINC000000682542 557114779 /nfs/dbraw/zinc/11/47/79/557114779.db2.gz MFJCTHAKHQERMW-UHFFFAOYSA-N 0 0 427.092 4.641 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581044 557116233 /nfs/dbraw/zinc/11/62/33/557116233.db2.gz DRVKTQRCXNGEOJ-LJQANCHMSA-N 0 0 443.572 4.960 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000033331939 557116588 /nfs/dbraw/zinc/11/65/88/557116588.db2.gz CJUHYCHMKBQYHR-QKSGUBBWSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000033331947 557116672 /nfs/dbraw/zinc/11/66/72/557116672.db2.gz WXNVNSDLULRQKB-ZTEVPRNISA-N 0 0 433.552 4.965 50 0 IJAARN Cc1ccc(CN2C(=O)N/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000033334439 557118609 /nfs/dbraw/zinc/11/86/09/557118609.db2.gz UKXXVXURDCEXBG-MOSHPQCFSA-N 0 0 425.410 4.897 50 0 IJAARN COc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 ZINC000000622804 557121305 /nfs/dbraw/zinc/12/13/05/557121305.db2.gz SOCDZGPBSGCQLJ-UHFFFAOYSA-N 0 0 425.293 4.983 50 0 IJAARN Cc1cccc(OCC(=O)Nc2nnc(Cc3cccc(Br)c3)s2)c1C ZINC000098086573 557123290 /nfs/dbraw/zinc/12/32/90/557123290.db2.gz MRYUDQHCGZIJJS-UHFFFAOYSA-N 0 0 432.343 4.526 50 0 IJAARN Cn1cc([C@H]2[C@@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792862 557126053 /nfs/dbraw/zinc/12/60/53/557126053.db2.gz LHBFHLZVMSRRPM-DQEYMECFSA-N 0 0 429.564 4.928 50 0 IJAARN COCc1c(C(=O)OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)sc2cccc(F)c21 ZINC000017938184 557128806 /nfs/dbraw/zinc/12/88/06/557128806.db2.gz FRRGAUMSNJJOSG-AWEZNQCLSA-N 0 0 447.528 4.852 50 0 IJAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000017921084 557128996 /nfs/dbraw/zinc/12/89/96/557128996.db2.gz WERLURZLUWJOSE-POXSJBSRSA-N 0 0 446.807 4.561 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@@]3(O)C(F)F)c3ccccc3n2)cc1C ZINC000000655540 557129575 /nfs/dbraw/zinc/12/95/75/557129575.db2.gz SNYVAIVACJFSEV-HSZRJFAPSA-N 0 0 445.416 4.939 50 0 IJAARN Cc1ccccc1-c1cc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)c2ccccc2n1 ZINC000000654036 557129849 /nfs/dbraw/zinc/12/98/49/557129849.db2.gz QPYMSMPHYHPJJW-JOCHJYFZSA-N 0 0 431.389 4.631 50 0 IJAARN C[C@H](NC(=O)c1nc2n(c1Cl)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000200022554 557132684 /nfs/dbraw/zinc/13/26/84/557132684.db2.gz ZJQVENLCEUCAOC-XKQJLSEDSA-N 0 0 448.876 4.609 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3C)C2)c2ccccc12 ZINC000017964115 557133437 /nfs/dbraw/zinc/13/34/37/557133437.db2.gz HWQNEVZEKISUPY-VQTJNVASSA-N 0 0 430.548 4.886 50 0 IJAARN COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000002861173 557133742 /nfs/dbraw/zinc/13/37/42/557133742.db2.gz MSQOPGKYTNBSBR-UHFFFAOYSA-N 0 0 429.270 4.864 50 0 IJAARN CCc1cc2c(ncnc2Sc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)s1 ZINC000024060633 557134538 /nfs/dbraw/zinc/13/45/38/557134538.db2.gz BLSCGGLSYKVSBL-GFCCVEGCSA-N 0 0 428.562 4.747 50 0 IJAARN CCOC(=O)COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 ZINC000009171261 557136578 /nfs/dbraw/zinc/13/65/78/557136578.db2.gz CFJCHPSXLSPHLW-KRWDZBQOSA-N 0 0 440.546 4.743 50 0 IJAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2c1[C@H](C)CC2=O ZINC000024778836 557138693 /nfs/dbraw/zinc/13/86/93/557138693.db2.gz KDKMSJDLVCDGAU-QGZVFWFLSA-N 0 0 444.535 4.687 50 0 IJAARN O=C(c1ccc(C2SCCCS2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024142503 557138632 /nfs/dbraw/zinc/13/86/32/557138632.db2.gz MGOBJOUDVJIGMQ-UHFFFAOYSA-N 0 0 432.655 4.810 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4[C@@H](C)CCC[C@@H]4C)cc3n2)cc1 ZINC000000711604 557146100 /nfs/dbraw/zinc/14/61/00/557146100.db2.gz XKJBXGDXNIHBPF-KBPBESRZSA-N 0 0 432.446 4.827 50 0 IJAARN Cc1c(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000024401782 557146366 /nfs/dbraw/zinc/14/63/66/557146366.db2.gz HBOYILKKZURODS-UHFFFAOYSA-N 0 0 438.531 4.967 50 0 IJAARN COc1cc(Br)c(NC(=O)COc2ccc(C)cc2)c(Br)c1 ZINC000000716805 557148005 /nfs/dbraw/zinc/14/80/05/557148005.db2.gz SFEULFALFKDHTI-UHFFFAOYSA-N 0 0 429.108 4.546 50 0 IJAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc(Cl)c1OC ZINC000011450617 557149128 /nfs/dbraw/zinc/14/91/28/557149128.db2.gz PAYIERXNIRJZNO-UHFFFAOYSA-N 0 0 443.912 4.618 50 0 IJAARN CCOC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000011452270 557150383 /nfs/dbraw/zinc/15/03/83/557150383.db2.gz CIMJESATHNYSSH-UHFFFAOYSA-N 0 0 436.493 4.516 50 0 IJAARN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016393647 557150769 /nfs/dbraw/zinc/15/07/69/557150769.db2.gz SRRLMTKIAIPKIF-UHFFFAOYSA-N 0 0 444.019 4.944 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000024566447 557151219 /nfs/dbraw/zinc/15/12/19/557151219.db2.gz IRJZEWUXTKDRKS-UHFFFAOYSA-N 0 0 443.503 4.927 50 0 IJAARN O=C(Cc1csc(-c2ccco2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000024578531 557151927 /nfs/dbraw/zinc/15/19/27/557151927.db2.gz OSGPUMYHCIZDGU-HNNXBMFYSA-N 0 0 425.535 4.768 50 0 IJAARN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607119 557153357 /nfs/dbraw/zinc/15/33/57/557153357.db2.gz HKIDVXUHLCNFFA-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610665 557154848 /nfs/dbraw/zinc/15/48/48/557154848.db2.gz ZADQKQIMQMTZDA-UHFFFAOYSA-N 0 0 449.016 4.645 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccccc1N1CCCCC1 ZINC000024613251 557155771 /nfs/dbraw/zinc/15/57/71/557155771.db2.gz GWFSLOAUSJCICY-UHFFFAOYSA-N 0 0 427.961 4.642 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 ZINC000024671063 557158316 /nfs/dbraw/zinc/15/83/16/557158316.db2.gz NVLUAVYHERIPCD-UHFFFAOYSA-N 0 0 426.472 4.793 50 0 IJAARN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(COc2ccc(F)cc2)o1 ZINC000011534923 557160608 /nfs/dbraw/zinc/16/06/08/557160608.db2.gz ODCDLPDKNQUZSP-UHFFFAOYSA-N 0 0 434.423 4.773 50 0 IJAARN C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1 ZINC000024755883 557163266 /nfs/dbraw/zinc/16/32/66/557163266.db2.gz QLFHIFWGSHIFHQ-TZMCWYRMSA-N 0 0 448.976 4.763 50 0 IJAARN O=C(COc1ccc(F)c(Cl)c1)Nc1ccnn1Cc1cc(Br)cs1 ZINC000024757134 557163643 /nfs/dbraw/zinc/16/36/43/557163643.db2.gz FTFVQQLLWKWRPD-UHFFFAOYSA-N 0 0 444.713 4.565 50 0 IJAARN Cc1ccccc1-n1c(SCCN2C(=O)CCC2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000024757583 557163659 /nfs/dbraw/zinc/16/36/59/557163659.db2.gz JCVNNHBXBKDKHG-UHFFFAOYSA-N 0 0 448.592 4.781 50 0 IJAARN CN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(c1ccccc1)c1ccccc1 ZINC000024771631 557165890 /nfs/dbraw/zinc/16/58/90/557165890.db2.gz GIKYVQMEPHPLIO-UHFFFAOYSA-N 0 0 425.532 4.651 50 0 IJAARN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(CC(C)C)C(=O)C(C)C)c(C)c1 ZINC000000738893 557166004 /nfs/dbraw/zinc/16/60/04/557166004.db2.gz JWVPOWKDKYLCBX-UHFFFAOYSA-N 0 0 426.605 4.866 50 0 IJAARN O=C(c1ccccc1Br)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207013831 557170678 /nfs/dbraw/zinc/17/06/78/557170678.db2.gz GZGPXOAQKQNXFF-CYBMUJFWSA-N 0 0 432.343 4.656 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 ZINC000008784726 557173804 /nfs/dbraw/zinc/17/38/04/557173804.db2.gz OWKUPKVWPGDGIN-ZDUSSCGKSA-N 0 0 427.555 4.904 50 0 IJAARN COc1ccc(-c2ncc(C(=O)NCCc3ccccn3)c(Oc3cccc(C)c3)n2)cc1 ZINC000096210098 557182821 /nfs/dbraw/zinc/18/28/21/557182821.db2.gz WCDWSSMOCCIAGZ-UHFFFAOYSA-N 0 0 440.503 4.620 50 0 IJAARN COC(=O)c1occc1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000024969690 557183804 /nfs/dbraw/zinc/18/38/04/557183804.db2.gz INKVWVLUAPGSCC-UHFFFAOYSA-N 0 0 439.468 4.657 50 0 IJAARN COCc1nnc(SCc2ccccc2C(=O)NCc2ccco2)n1-c1cccc(C)c1 ZINC000096289947 557194341 /nfs/dbraw/zinc/19/43/41/557194341.db2.gz LGEILAPHHZFBJZ-UHFFFAOYSA-N 0 0 448.548 4.537 50 0 IJAARN C/C(=C\C(=O)N(C)C1CCN(c2cc(C)nc(C)n2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000098055732 557195746 /nfs/dbraw/zinc/19/57/46/557195746.db2.gz ROUHHTJHRGVCJL-FYWRMAATSA-N 0 0 432.490 4.643 50 0 IJAARN Cn1nc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc2c1=O ZINC000025301974 557203244 /nfs/dbraw/zinc/20/32/44/557203244.db2.gz LXROIMRXBJYQSU-UHFFFAOYSA-N 0 0 437.858 4.557 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025325048 557204031 /nfs/dbraw/zinc/20/40/31/557204031.db2.gz WDCQCTMEKBRVHF-UNMCSNQZSA-N 0 0 441.531 4.561 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc2OC)cc1 ZINC000025347107 557205667 /nfs/dbraw/zinc/20/56/67/557205667.db2.gz DPGCYLYQFKVJKH-XMMPIXPASA-N 0 0 446.503 4.741 50 0 IJAARN COc1cc2nc(SC[C@H]3CCCO3)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000011597380 557206821 /nfs/dbraw/zinc/20/68/21/557206821.db2.gz RREJPLCGODOTJW-QGZVFWFLSA-N 0 0 430.570 4.575 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccs5)n4n3)c2)cc1 ZINC000011613701 557209990 /nfs/dbraw/zinc/20/99/90/557209990.db2.gz JTKCAGZXMRNZDP-UHFFFAOYSA-N 0 0 427.489 4.781 50 0 IJAARN CC(C)c1ccc(-n2nnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 ZINC000011619784 557212806 /nfs/dbraw/zinc/21/28/06/557212806.db2.gz FFUCPUOZIBLOFG-UHFFFAOYSA-N 0 0 437.569 4.958 50 0 IJAARN C[C@@]1(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)Sc2ccccc2NC1=O ZINC000072243356 557213522 /nfs/dbraw/zinc/21/35/22/557213522.db2.gz ULUWKDRSUVLKPS-FQEVSTJZSA-N 0 0 429.954 4.583 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc(CN2CCCc3cc(C(F)(F)F)ccc32)s1 ZINC000060842969 557219167 /nfs/dbraw/zinc/21/91/67/557219167.db2.gz ZAXNLAORFKVWLH-UHFFFAOYSA-N 0 0 436.434 4.901 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000025618920 557219654 /nfs/dbraw/zinc/21/96/54/557219654.db2.gz CTVZVGCSTKIBHW-QFIPXVFZSA-N 0 0 426.538 4.622 50 0 IJAARN COc1cc(CN(C)C(=O)CCn2cnc3ccccc32)ccc1OCc1ccccc1 ZINC000025621623 557219686 /nfs/dbraw/zinc/21/96/86/557219686.db2.gz ZAAXWLCDFZIPAO-UHFFFAOYSA-N 0 0 429.520 4.673 50 0 IJAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000010702911 557224356 /nfs/dbraw/zinc/22/43/56/557224356.db2.gz LJWKAXPBMIYJSH-UHFFFAOYSA-N 0 0 431.492 4.538 50 0 IJAARN COc1ccc2c(c1)C1=C([C@H](c3ccccc3F)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000025783919 557226513 /nfs/dbraw/zinc/22/65/13/557226513.db2.gz ANMWZQSRUSFVKA-ZEQRLZLVSA-N 0 0 444.441 4.778 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3c2=O)cc1F ZINC000025833777 557228123 /nfs/dbraw/zinc/22/81/23/557228123.db2.gz JPKHSQJUAVQMEP-UHFFFAOYSA-N 0 0 437.471 4.703 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000025904826 557229914 /nfs/dbraw/zinc/22/99/14/557229914.db2.gz JBBMDXJJWOIJAG-GCJKJVERSA-N 0 0 436.602 4.836 50 0 IJAARN CCn1c(SCC(=O)c2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000014761099 557231207 /nfs/dbraw/zinc/23/12/07/557231207.db2.gz BWZCJTHTCLOCND-UHFFFAOYSA-N 0 0 440.956 4.720 50 0 IJAARN Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1C(=O)N1CCc2sccc2C1 ZINC000026045166 557232440 /nfs/dbraw/zinc/23/24/40/557232440.db2.gz TUBPDUBXPMKUID-UHFFFAOYSA-N 0 0 444.512 4.614 50 0 IJAARN Cc1cccc(Cc2cnc(NC(=O)CCn3c(=O)oc4ccccc43)s2)c1Cl ZINC000026038374 557232463 /nfs/dbraw/zinc/23/24/63/557232463.db2.gz KADRIRXIAPMAPD-UHFFFAOYSA-N 0 0 427.913 4.632 50 0 IJAARN Cc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)sc2nc(C3CC3)nc(C)c12 ZINC000026072831 557233717 /nfs/dbraw/zinc/23/37/17/557233717.db2.gz CBGWMXUPGXKEGT-HNNXBMFYSA-N 0 0 432.553 4.599 50 0 IJAARN COc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1c(C)noc1C ZINC000018047766 557233692 /nfs/dbraw/zinc/23/36/92/557233692.db2.gz GBVUHAOWATZLOZ-INIZCTEOSA-N 0 0 446.507 4.556 50 0 IJAARN CC(C)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000098211478 557234900 /nfs/dbraw/zinc/23/49/00/557234900.db2.gz RHTGDEUVCKYJTQ-UHFFFAOYSA-N 0 0 430.464 4.696 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cnc(Cl)c(Cl)c1 ZINC000018090120 557235254 /nfs/dbraw/zinc/23/52/54/557235254.db2.gz RLWMARWPLZBPHL-UHFFFAOYSA-N 0 0 426.101 4.648 50 0 IJAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000026212088 557237317 /nfs/dbraw/zinc/23/73/17/557237317.db2.gz GZEKKSXVUSENAC-UHFFFAOYSA-N 0 0 428.536 4.726 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3ccccc3Cl)cs2)no1 ZINC000014772339 557242847 /nfs/dbraw/zinc/24/28/47/557242847.db2.gz BPRHBOSHSRODPS-UHFFFAOYSA-N 0 0 426.885 4.986 50 0 IJAARN O=C(NCCSCc1ccc(Br)s1)c1cccnc1SC(F)F ZINC000018161405 557244802 /nfs/dbraw/zinc/24/48/02/557244802.db2.gz WNWFESOIQSSFKZ-UHFFFAOYSA-N 0 0 439.372 4.884 50 0 IJAARN Cc1ccc([C@H](c2ccccc2C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000072265282 557250565 /nfs/dbraw/zinc/25/05/65/557250565.db2.gz WEPGVCZBYQIXGS-RUZDIDTESA-N 0 0 438.568 4.538 50 0 IJAARN COc1cccc(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)c1 ZINC000005688249 557251512 /nfs/dbraw/zinc/25/15/12/557251512.db2.gz CDFGLMNBLHSDCT-XMMPIXPASA-N 0 0 427.548 4.733 50 0 IJAARN O=C(CSc1ncnc2ccsc21)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000026960467 557252467 /nfs/dbraw/zinc/25/24/67/557252467.db2.gz UZERXLQJEHBWQI-AWEZNQCLSA-N 0 0 426.548 4.816 50 0 IJAARN O=C(c1cccc(Br)c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000018271155 557254857 /nfs/dbraw/zinc/25/48/57/557254857.db2.gz CZSRMDCNRFCWOP-UHFFFAOYSA-N 0 0 430.733 4.613 50 0 IJAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000032952906 557256996 /nfs/dbraw/zinc/25/69/96/557256996.db2.gz YUEBAFRHHDGCGH-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Br)s1 ZINC000027601187 557267300 /nfs/dbraw/zinc/26/73/00/557267300.db2.gz LCPGHPPBLPIWRI-UHFFFAOYSA-N 0 0 445.294 4.744 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000027662855 557269184 /nfs/dbraw/zinc/26/91/84/557269184.db2.gz UJHWKQUIPJTHGZ-HXUWFJFHSA-N 0 0 428.941 4.714 50 0 IJAARN Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027663286 557269410 /nfs/dbraw/zinc/26/94/10/557269410.db2.gz MVSMTUZFSQFDGV-VWLOTQADSA-N 0 0 439.471 4.565 50 0 IJAARN Cc1cc(C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl ZINC000027663517 557269760 /nfs/dbraw/zinc/26/97/60/557269760.db2.gz RFGBGLVHEIKVRL-OAHLLOKOSA-N 0 0 444.355 4.579 50 0 IJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000100722291 557271316 /nfs/dbraw/zinc/27/13/16/557271316.db2.gz FLZQMQNJFHDFPB-YPAWHYETSA-N 0 0 436.870 4.526 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829961 557272555 /nfs/dbraw/zinc/27/25/55/557272555.db2.gz FDQPCPBGXPQJGM-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN Cc1cc(-c2cc(C(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c3c(C)noc3n2)c(C)o1 ZINC000070014939 557273709 /nfs/dbraw/zinc/27/37/09/557273709.db2.gz QVRJLZFSOSOPEO-LJQANCHMSA-N 0 0 446.507 4.624 50 0 IJAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100744321 557275337 /nfs/dbraw/zinc/27/53/37/557275337.db2.gz YTCLHUBKKIDIGF-MJXNMMHHSA-N 0 0 442.309 4.594 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2)N2C(CC(=O)NC3CCCCC3)=CSC2=N1 ZINC000101403550 557280439 /nfs/dbraw/zinc/28/04/39/557280439.db2.gz BREJUPNFEADNME-QFIPXVFZSA-N 0 0 439.581 4.664 50 0 IJAARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)c1OC ZINC000101032076 557281618 /nfs/dbraw/zinc/28/16/18/557281618.db2.gz HUNRMRVXJJPMKT-OAHLLOKOSA-N 0 0 434.830 4.606 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3C)N12 ZINC000101385942 557281945 /nfs/dbraw/zinc/28/19/45/557281945.db2.gz FLJKLWMMCFLMTK-AOMKIAJQSA-N 0 0 441.597 4.826 50 0 IJAARN Cc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)NCC(C)C)N21 ZINC000101385520 557281971 /nfs/dbraw/zinc/28/19/71/557281971.db2.gz FGZBWDLKCDXTRW-JOCHJYFZSA-N 0 0 441.597 4.684 50 0 IJAARN COc1cc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc(Cl)c1OC ZINC000013096157 557282170 /nfs/dbraw/zinc/28/21/70/557282170.db2.gz VSQDQALTNVZMTI-RFKZRZAASA-N 0 0 445.943 4.914 50 0 IJAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000101407627 557283991 /nfs/dbraw/zinc/28/39/91/557283991.db2.gz QEDNTYPEHCZCCK-ZFFYZDHPSA-N 0 0 437.495 4.716 50 0 IJAARN Cc1nc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)sc1SCC(N)=O ZINC000031798362 557293967 /nfs/dbraw/zinc/29/39/67/557293967.db2.gz DXLKOGHAWLFGCE-UHFFFAOYSA-N 0 0 440.575 4.558 50 0 IJAARN COc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000013109105 557296357 /nfs/dbraw/zinc/29/63/57/557296357.db2.gz AGBMLZJCCVBCCX-UHFFFAOYSA-N 0 0 443.858 4.862 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)C1 ZINC000101827694 557299534 /nfs/dbraw/zinc/29/95/34/557299534.db2.gz NPXXUBMOPBVKSH-HUUCEWRRSA-N 0 0 434.927 4.590 50 0 IJAARN C[C@@H](NC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1)c1ccc(F)cc1 ZINC000101828534 557300090 /nfs/dbraw/zinc/30/00/90/557300090.db2.gz PEDISNONBLWLPU-CQSZACIVSA-N 0 0 444.441 4.588 50 0 IJAARN CCCNC(=O)CN1c2cc(C)c(C)cc2N=C(c2ccc(Br)s2)CC1=O ZINC000101947478 557308360 /nfs/dbraw/zinc/30/83/60/557308360.db2.gz AADJXOCEZGQGNQ-UHFFFAOYSA-N 0 0 448.386 4.511 50 0 IJAARN CCOc1cc(/C=C/C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)ccc1OC ZINC000032833924 557316824 /nfs/dbraw/zinc/31/68/24/557316824.db2.gz XLCJRWNFZAQGMS-UXBLZVDNSA-N 0 0 434.492 4.728 50 0 IJAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)CCC(=O)N4CCCCCC4)cc3)nc2c1 ZINC000032960975 557319439 /nfs/dbraw/zinc/31/94/39/557319439.db2.gz UMOVMCBXLQLFQK-UHFFFAOYSA-N 0 0 432.568 4.778 50 0 IJAARN O=C(NC1CCCCCCC1)C1CCN(c2nc3cc(Br)ccc3[nH]2)CC1 ZINC000033071226 557323762 /nfs/dbraw/zinc/32/37/62/557323762.db2.gz JLIAVUAQYZYUPC-UHFFFAOYSA-N 0 0 433.394 4.771 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2ccccc2CC)c1 ZINC000033265076 557328340 /nfs/dbraw/zinc/32/83/40/557328340.db2.gz JFRICBLPSWHBKA-UHFFFAOYSA-N 0 0 436.581 4.695 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)cc1 ZINC000033297546 557330457 /nfs/dbraw/zinc/33/04/57/557330457.db2.gz ZTVPYDSIFFXWGG-UHFFFAOYSA-N 0 0 437.561 4.549 50 0 IJAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Br ZINC000000837374 557338238 /nfs/dbraw/zinc/33/82/38/557338238.db2.gz ISUAEGRHZZTAIX-UHFFFAOYSA-N 0 0 431.311 4.502 50 0 IJAARN COc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C(=O)C2)cc1 ZINC000102530208 557341774 /nfs/dbraw/zinc/34/17/74/557341774.db2.gz AQUZQWJYDQJBBI-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000014610740 557345148 /nfs/dbraw/zinc/34/51/48/557345148.db2.gz YCVLSFVZUFNMTK-UHFFFAOYSA-N 0 0 438.871 4.509 50 0 IJAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)NCC(C)(C)C)c3ccccc3n1)CC2 ZINC000023427291 557354018 /nfs/dbraw/zinc/35/40/18/557354018.db2.gz VWODCGZHONZEQY-UHFFFAOYSA-N 0 0 433.552 4.591 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(Cl)nc1)CC2 ZINC000023437090 557354640 /nfs/dbraw/zinc/35/46/40/557354640.db2.gz VDHAMPQRTVLRSH-JOCHJYFZSA-N 0 0 426.875 4.679 50 0 IJAARN COc1ccc(OCCNC(=O)c2cncn2-c2ccc(-c3cc(C)cc(C)c3)cc2)cc1 ZINC000023448590 557356292 /nfs/dbraw/zinc/35/62/92/557356292.db2.gz KYVLOBLSNJOBOV-UHFFFAOYSA-N 0 0 441.531 4.974 50 0 IJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(OC)c2)cc1 ZINC000023441936 557358367 /nfs/dbraw/zinc/35/83/67/557358367.db2.gz GWCACOILAIGGCE-RUZDIDTESA-N 0 0 433.504 4.509 50 0 IJAARN CC1(C)OC[C@@H](CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)[nH]n3)cc2)O1 ZINC000023447784 557359540 /nfs/dbraw/zinc/35/95/40/557359540.db2.gz SJFDTUUOPBYDAD-HXUWFJFHSA-N 0 0 427.504 4.778 50 0 IJAARN O=C(Cc1ccc(F)cc1)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023459612 557360194 /nfs/dbraw/zinc/36/01/94/557360194.db2.gz CRSZJBNFICODGC-UHFFFAOYSA-N 0 0 440.522 4.717 50 0 IJAARN COc1cccc(-c2c[nH]c(-c3cccc(CNC(=O)c4cc(OC)cc(OC)c4)c3)n2)c1 ZINC000023454751 557362209 /nfs/dbraw/zinc/36/22/09/557362209.db2.gz QHWRNDWCVBLUQA-UHFFFAOYSA-N 0 0 443.503 4.700 50 0 IJAARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000102667601 557362662 /nfs/dbraw/zinc/36/26/62/557362662.db2.gz DJQZXHBCWNXVGU-MWTRTKDXSA-N 0 0 446.507 4.678 50 0 IJAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102669739 557362836 /nfs/dbraw/zinc/36/28/36/557362836.db2.gz JEJYFVLRXKTNRC-UUOWRZLLSA-N 0 0 430.508 4.977 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(-c3[nH]nc4c3CCc3cc(OC)ccc3-4)cc2)c1 ZINC000023457328 557362999 /nfs/dbraw/zinc/36/29/99/557362999.db2.gz RLPJZDQKWWXZIY-UHFFFAOYSA-N 0 0 439.515 4.790 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102674030 557363239 /nfs/dbraw/zinc/36/32/39/557363239.db2.gz QPFMHYRSARPXKW-KRWDZBQOSA-N 0 0 444.557 4.724 50 0 IJAARN COc1cc(OC)c([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000102704742 557366015 /nfs/dbraw/zinc/36/60/15/557366015.db2.gz HZJFKSPTKVQDIE-GYCJOSAFSA-N 0 0 446.507 4.678 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(Br)cc2)cc1 ZINC000072328995 557366173 /nfs/dbraw/zinc/36/61/73/557366173.db2.gz WCLOSCVWKDKDIJ-UHFFFAOYSA-N 0 0 428.330 4.948 50 0 IJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000102719177 557375228 /nfs/dbraw/zinc/37/52/28/557375228.db2.gz KRQORUMZGUNJPE-DNVJHFABSA-N 0 0 432.907 4.954 50 0 IJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102738891 557380306 /nfs/dbraw/zinc/38/03/06/557380306.db2.gz GKMTWSNGBRALMJ-SPLOXXLWSA-N 0 0 448.479 4.724 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000102766432 557381271 /nfs/dbraw/zinc/38/12/71/557381271.db2.gz ILHSREBFKREXTF-DSNGMDLFSA-N 0 0 442.515 4.753 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cc(OC)ccc3OC)C2)cc1 ZINC000102753066 557383419 /nfs/dbraw/zinc/38/34/19/557383419.db2.gz OPKCENXLSILZCK-RCDICMHDSA-N 0 0 448.479 4.724 50 0 IJAARN CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102758935 557384282 /nfs/dbraw/zinc/38/42/82/557384282.db2.gz GHKRNQYQZXZPOV-DSNGMDLFSA-N 0 0 442.515 4.917 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@]31C ZINC000011692305 557388071 /nfs/dbraw/zinc/38/80/71/557388071.db2.gz BJFHDLIDJDLRGY-NRFANRHFSA-N 0 0 430.291 4.723 50 0 biogenic IJAARN COc1cc(OC)c([C@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)cc1OC ZINC000102832988 557394363 /nfs/dbraw/zinc/39/43/63/557394363.db2.gz ZIRQMJOMGXZTBH-RCDICMHDSA-N 0 0 448.479 4.724 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(C)c3)C2)cc1OC ZINC000408525672 557414169 /nfs/dbraw/zinc/41/41/69/557414169.db2.gz QBLOIVSGGLWYHS-QFIPXVFZSA-N 0 0 436.533 4.552 50 0 IJAARN O=C1N[C@]2(CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]32)NN1c1ccccc1 ZINC000103049174 557416967 /nfs/dbraw/zinc/41/69/67/557416967.db2.gz UBLXJJQOWTZNHB-POMLREGLSA-N 0 0 426.520 4.779 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000103051858 557417055 /nfs/dbraw/zinc/41/70/55/557417055.db2.gz QAEKULLGPXRQHZ-DCFHFQCYSA-N 0 0 444.575 4.930 50 0 IJAARN COP(=O)(OC)[C@H](NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)C(Cl)(Cl)Cl ZINC000103184533 557425677 /nfs/dbraw/zinc/42/56/77/557425677.db2.gz LYNZNFUZCVUVBU-HKPALBBZSA-N 0 0 447.510 4.876 50 0 IJAARN O=C(/C=C/c1ccccc1Br)Nc1ccccc1I ZINC000014429612 557447071 /nfs/dbraw/zinc/44/70/71/557447071.db2.gz UYRQAVSHTRADMV-MDZDMXLPSA-N 0 0 428.067 4.706 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)c(Cl)cc12 ZINC000223225708 557448212 /nfs/dbraw/zinc/44/82/12/557448212.db2.gz SFFSFTVNQWWJFS-JOCHJYFZSA-N 0 0 439.899 4.523 50 0 IJAARN COc1cc(OC)cc(-c2noc(CCN(C(=O)c3cccs3)C3CCCCC3)n2)c1 ZINC000096276165 557450351 /nfs/dbraw/zinc/45/03/51/557450351.db2.gz LNBGAYITZRMJAU-UHFFFAOYSA-N 0 0 441.553 4.833 50 0 IJAARN COc1ccc([C@H](C)NC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000096387130 557451869 /nfs/dbraw/zinc/45/18/69/557451869.db2.gz SYRGEIFTDPLCAZ-BTYIYWSLSA-N 0 0 435.911 4.713 50 0 IJAARN CCCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)ccc2c1=O ZINC000096320179 557451906 /nfs/dbraw/zinc/45/19/06/557451906.db2.gz TWLWNXZFRQCIHI-UHFFFAOYSA-N 0 0 444.413 4.616 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccccc3F)N12 ZINC000102744499 557458262 /nfs/dbraw/zinc/45/82/62/557458262.db2.gz PRLBVAALQCUPCJ-QKKBWIMNSA-N 0 0 445.560 4.657 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(C(Cl)=Cc3cccc(F)c3F)nc2c1 ZINC000209923384 557499926 /nfs/dbraw/zinc/49/99/26/557499926.db2.gz MWBFGBUPWSMUFR-GXDHUFHOSA-N 0 0 425.888 4.609 50 0 IJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000046913721 557513350 /nfs/dbraw/zinc/51/33/50/557513350.db2.gz NUYNHWMAGOLJJU-UHFFFAOYSA-N 0 0 425.414 4.939 50 0 IJAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)/C(=C/c1ccc(Br)cc1)c1cccs1 ZINC000040050833 557516588 /nfs/dbraw/zinc/51/65/88/557516588.db2.gz BLUJNVQZNBWQEN-XNTDXEJSSA-N 0 0 440.322 4.860 50 0 IJAARN COc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)c1 ZINC000012062310 557526311 /nfs/dbraw/zinc/52/63/11/557526311.db2.gz LVTCGAKGTIOUIM-SFHVURJKSA-N 0 0 439.581 4.617 50 0 IJAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)nn1 ZINC000106309441 557528060 /nfs/dbraw/zinc/52/80/60/557528060.db2.gz UGKKSURFTZZABZ-FYYLOGMGSA-N 0 0 428.580 4.806 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000044854648 557537676 /nfs/dbraw/zinc/53/76/76/557537676.db2.gz TUTZYHQIBOGYEN-UHFFFAOYSA-N 0 0 427.504 4.852 50 0 IJAARN CC[C@@H](c1nc2ccccc2c(=O)n1-c1cccc(C)c1C)N1C(=O)c2ccccc2C1=O ZINC000044928645 557541019 /nfs/dbraw/zinc/54/10/19/557541019.db2.gz YXCISINANSZAEZ-QFIPXVFZSA-N 0 0 437.499 4.750 50 0 IJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)ccn3n2)cc1 ZINC000045921758 557547604 /nfs/dbraw/zinc/54/76/04/557547604.db2.gz PKFRGYUDCYGUIS-UHFFFAOYSA-N 0 0 444.535 4.597 50 0 IJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942047 557551767 /nfs/dbraw/zinc/55/17/67/557551767.db2.gz JNVQQXIUPUQIIT-XMMPIXPASA-N 0 0 427.500 4.877 50 0 IJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC ZINC000045942590 557551871 /nfs/dbraw/zinc/55/18/71/557551871.db2.gz MZBGPNYLETVHQY-XMMPIXPASA-N 0 0 433.479 4.938 50 0 IJAARN COc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)cc(OC)c1 ZINC000045943206 557552216 /nfs/dbraw/zinc/55/22/16/557552216.db2.gz LBSZYKRVIVUBQF-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN Cn1c2cc(NC(=O)Cc3cccc(F)c3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000045961106 557555052 /nfs/dbraw/zinc/55/50/52/557555052.db2.gz DFVZILZMUDBEIN-UHFFFAOYSA-N 0 0 427.545 4.622 50 0 IJAARN Cc1ccc(C)c(-c2cc3c4nnc(SCC(=O)Nc5ccccc5C)n4ccn3n2)c1 ZINC000045971592 557555484 /nfs/dbraw/zinc/55/54/84/557555484.db2.gz DVUXQWUBQUEYBI-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000045962033 557557045 /nfs/dbraw/zinc/55/70/45/557557045.db2.gz WXLQXDVPBWIYRP-UHFFFAOYSA-N 0 0 434.517 4.823 50 0 IJAARN O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000045961910 557557052 /nfs/dbraw/zinc/55/70/52/557557052.db2.gz GWILLWSMLFRAQZ-UHFFFAOYSA-N 0 0 440.908 4.859 50 0 IJAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1Cl)N(C(=O)Cc1ccn(C(C)C)n1)C1CC1 ZINC000225430401 557722307 /nfs/dbraw/zinc/72/23/07/557722307.db2.gz LVYWDTQIJPPHQH-HXUWFJFHSA-N 0 0 438.355 4.609 50 0 IJAARN CCOc1ccc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4C)CC3)ccc2c1 ZINC000225542397 557739229 /nfs/dbraw/zinc/73/92/29/557739229.db2.gz SHDJAWCECYQRNZ-UHFFFAOYSA-N 0 0 444.984 4.711 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024982317 557827688 /nfs/dbraw/zinc/82/76/88/557827688.db2.gz VIFFHYWRZCEEDN-UHFFFAOYSA-N 0 0 427.854 4.926 50 0 IJAARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000003663785 557849511 /nfs/dbraw/zinc/84/95/11/557849511.db2.gz ALFYERKUZIPMQS-OAQYLSRUSA-N 0 0 434.561 4.753 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000015011004 557850776 /nfs/dbraw/zinc/85/07/76/557850776.db2.gz VTTNQBIGYOCXFC-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 ZINC000000884339 557854671 /nfs/dbraw/zinc/85/46/71/557854671.db2.gz TVEXXCALKWRGSH-OALUTQOASA-N 0 0 446.429 4.813 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 ZINC000000884341 557854786 /nfs/dbraw/zinc/85/47/86/557854786.db2.gz TVEXXCALKWRGSH-RBUKOAKNSA-N 0 0 446.429 4.813 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCCC[C@H]3C)n2)cc1 ZINC000000890689 557859069 /nfs/dbraw/zinc/85/90/69/557859069.db2.gz QFTCLRJYFIWMHV-CYBMUJFWSA-N 0 0 425.476 4.664 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2oc3ccccc3c2C)ccc1NC(=O)c1ccco1 ZINC000000893594 557860476 /nfs/dbraw/zinc/86/04/76/557860476.db2.gz AZLGXLXLPONWNX-UHFFFAOYSA-N 0 0 449.488 4.722 50 0 IJAARN CCCCCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2nc1SCc1ccccn1 ZINC000010274365 560211260 /nfs/dbraw/zinc/21/12/60/560211260.db2.gz DSTQURGOCGYFAN-UHFFFAOYSA-N 0 0 436.581 4.510 50 0 in-vitro IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1cccc(C)c1 ZINC000002965464 562931269 /nfs/dbraw/zinc/93/12/69/562931269.db2.gz KSKXGTQSAFKPHW-PMACEKPBSA-N 0 0 434.565 4.760 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1F)CC2 ZINC000003006458 562931576 /nfs/dbraw/zinc/93/15/76/562931576.db2.gz XALPKIIWDULWBJ-QFIPXVFZSA-N 0 0 439.458 4.801 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccc(Br)s1 ZINC000003227676 562933067 /nfs/dbraw/zinc/93/30/67/562933067.db2.gz OOGGFJBJUYKRAZ-UHFFFAOYSA-N 0 0 430.323 4.977 50 0 aggregator IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000003240494 562933214 /nfs/dbraw/zinc/93/32/14/562933214.db2.gz VCTRPPSYNSLYIN-OAHLLOKOSA-N 0 0 428.916 4.681 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1CC(C)C ZINC000003406999 562935229 /nfs/dbraw/zinc/93/52/29/562935229.db2.gz ZRGSCGXHLIYIJC-UHFFFAOYSA-N 0 0 434.949 4.895 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657917 562937513 /nfs/dbraw/zinc/93/75/13/562937513.db2.gz HTTLFEZENOANPZ-RPWUZVMVSA-N 0 0 430.504 4.561 50 0 IJAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCCC[C@H]1CO ZINC000004029085 562940799 /nfs/dbraw/zinc/94/07/99/562940799.db2.gz PUWRAXNZOZMMTO-CKSJMSFISA-N 0 0 435.649 4.793 50 0 biogenic IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1 ZINC000004313129 562943072 /nfs/dbraw/zinc/94/30/72/562943072.db2.gz IIZSWUVOWLYMPQ-UHFFFAOYSA-N 0 0 448.589 4.655 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=O ZINC000008587295 562950251 /nfs/dbraw/zinc/95/02/51/562950251.db2.gz WCGLRXHSNLGPFG-UHFFFAOYSA-N 0 0 445.906 4.948 50 0 IJAARN CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=O ZINC000008587459 562950279 /nfs/dbraw/zinc/95/02/79/562950279.db2.gz KBQCJHORRCZVHO-UHFFFAOYSA-N 0 0 445.906 4.867 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000008587790 562950446 /nfs/dbraw/zinc/95/04/46/562950446.db2.gz NIRMPIYGYNEIOE-HXUWFJFHSA-N 0 0 449.576 4.976 50 0 IJAARN COc1ccc(-n2cc(C(=O)N(C)c3cc(C)ccc3OC)c3ccccc3c2=O)cc1 ZINC000008588622 562950750 /nfs/dbraw/zinc/95/07/50/562950750.db2.gz BFDLAVVRMIQLEQ-UHFFFAOYSA-N 0 0 428.488 4.593 50 0 IJAARN CN(C(=O)CSc1cn(CC(=O)N2CCCCCC2)c2ccccc12)c1ccccc1 ZINC000008589549 562951267 /nfs/dbraw/zinc/95/12/67/562951267.db2.gz NPPGIUGHBLCGJT-UHFFFAOYSA-N 0 0 435.593 4.799 50 0 IJAARN CCCCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008590079 562951463 /nfs/dbraw/zinc/95/14/63/562951463.db2.gz ZZVNXOFTPOLVQZ-QHCPKHFHSA-N 0 0 443.609 4.818 50 0 IJAARN COc1ccc(NC(=O)Cn2c(SCc3ccc(C)cc3)nc3cccnc32)cc1OC ZINC000008590145 562951488 /nfs/dbraw/zinc/95/14/88/562951488.db2.gz FFHFMVDXTOGSNJ-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5C)CC4)sc3n2)cc1 ZINC000008591005 562951940 /nfs/dbraw/zinc/95/19/40/562951940.db2.gz OMMJURWYMOEMPA-UHFFFAOYSA-N 0 0 431.565 4.930 50 0 IJAARN Cc1ccc(CSc2nc3cccnc3n2Cc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000008591241 562951985 /nfs/dbraw/zinc/95/19/85/562951985.db2.gz XLFPUCBNJWVYQV-UHFFFAOYSA-N 0 0 428.561 4.973 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccccc2F)c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000008593550 562952772 /nfs/dbraw/zinc/95/27/72/562952772.db2.gz HTZCVVOOSDZGSA-UHFFFAOYSA-N 0 0 440.927 4.934 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000008600703 562955104 /nfs/dbraw/zinc/95/51/04/562955104.db2.gz ADNJVSTVJAEJOY-UHFFFAOYSA-N 0 0 425.457 4.963 50 0 IJAARN CCN(CC)c1ccc(NC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)c(C)c1 ZINC000008602698 562955868 /nfs/dbraw/zinc/95/58/68/562955868.db2.gz LRPFAYJMBVUHOW-UHFFFAOYSA-N 0 0 438.601 4.726 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000008603893 562956183 /nfs/dbraw/zinc/95/61/83/562956183.db2.gz SXSTWLDCXXDKAI-UHFFFAOYSA-N 0 0 443.446 4.608 50 0 IJAARN Cc1ccc(CCNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000008604142 562956311 /nfs/dbraw/zinc/95/63/11/562956311.db2.gz JFHHTSMCZPTXIS-UHFFFAOYSA-N 0 0 427.548 4.804 50 0 IJAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4cc(C)cc(C)c4)cc3c2=O)cc1 ZINC000008605531 562956737 /nfs/dbraw/zinc/95/67/37/562956737.db2.gz QEOYYMPCEDQQCW-UHFFFAOYSA-N 0 0 427.504 4.631 50 0 IJAARN COc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])c(OC)c1 ZINC000008610816 562958342 /nfs/dbraw/zinc/95/83/42/562958342.db2.gz RQNZVBKXUJLLER-UHFFFAOYSA-N 0 0 436.552 4.509 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)n1 ZINC000008612093 562959011 /nfs/dbraw/zinc/95/90/11/562959011.db2.gz BORDBOFYXUHCCE-UHFFFAOYSA-N 0 0 441.962 4.634 50 0 IJAARN CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000008619224 562959846 /nfs/dbraw/zinc/95/98/46/562959846.db2.gz MGBHZRALRYLALI-UHFFFAOYSA-N 0 0 446.472 4.688 50 0 aggregator IJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000008691198 562963368 /nfs/dbraw/zinc/96/33/68/562963368.db2.gz RMWLBBTZLPWUET-UHFFFAOYSA-N 0 0 444.812 4.887 50 0 IJAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000008691158 562963372 /nfs/dbraw/zinc/96/33/72/562963372.db2.gz CPNIFJQDXBODNR-UHFFFAOYSA-N 0 0 444.812 4.887 50 0 IJAARN Cc1ccccc1NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000008741806 562963919 /nfs/dbraw/zinc/96/39/19/562963919.db2.gz JKNDSUFKVDNADD-UHFFFAOYSA-N 0 0 437.087 4.879 50 0 IJAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000008830026 562964702 /nfs/dbraw/zinc/96/47/02/562964702.db2.gz DPMQPJCMFDVIGO-UHFFFAOYSA-N 0 0 435.549 4.691 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000009097254 562967041 /nfs/dbraw/zinc/96/70/41/562967041.db2.gz BTLAEAKBRCRHOZ-UHFFFAOYSA-N 0 0 434.876 4.541 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000009283223 562968829 /nfs/dbraw/zinc/96/88/29/562968829.db2.gz BAVKPIRVUIEQFO-AWEZNQCLSA-N 0 0 426.822 4.730 50 0 IJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)NC[C@H]3CCCO3)nc2-c2ccc(C)cc2)cc1 ZINC000009516717 562972727 /nfs/dbraw/zinc/97/27/27/562972727.db2.gz RNSSLXLVIQPNDP-WIYYLYMNSA-N 0 0 448.592 4.598 50 0 IJAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cccc(C)c4)nc23)cc1 ZINC000009969988 562978139 /nfs/dbraw/zinc/97/81/39/562978139.db2.gz OBUXLTVRXACCJL-UHFFFAOYSA-N 0 0 449.561 4.786 50 0 IJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cn(C)c3ccccc3c2=O)n1 ZINC000011938128 562979993 /nfs/dbraw/zinc/97/99/93/562979993.db2.gz MVPYGMRHWXGXPU-AREMUKBSSA-N 0 0 448.526 4.511 50 0 IJAARN COc1cccc(NC(=S)N(CCc2ccc(OC)c(OC)c2)Cc2ccccn2)c1 ZINC000013139220 562985182 /nfs/dbraw/zinc/98/51/82/562985182.db2.gz KZZMZAKQUIPXGW-UHFFFAOYSA-N 0 0 437.565 4.549 50 0 IJAARN Cc1ccccc1-c1c2c(c3n1-c1ccccc1N[C@@H]3c1ccccc1)n(C)c(=O)n(C)c2=O ZINC000015834288 563018057 /nfs/dbraw/zinc/01/80/57/563018057.db2.gz XCDAGQUCKFHONX-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)[nH]c1=O ZINC000015881344 563018240 /nfs/dbraw/zinc/01/82/40/563018240.db2.gz DWWDBGRQHVADQG-UHFFFAOYSA-N 0 0 441.535 4.708 50 0 IJAARN COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sccc32)cc1 ZINC000037526199 563095916 /nfs/dbraw/zinc/09/59/16/563095916.db2.gz YSVJMZUQIVIFAR-UHFFFAOYSA-N 0 0 445.588 4.718 50 0 IJAARN C[C@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015944 563143057 /nfs/dbraw/zinc/14/30/57/563143057.db2.gz NMEGQXPTZNDYOB-CVDCTZTESA-N 0 0 426.630 4.632 50 0 IJAARN Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000019939364 568613332 /nfs/dbraw/zinc/61/33/32/568613332.db2.gz IJVVTEQEUNQBFC-QHCPKHFHSA-N 0 0 443.469 4.605 50 0 IJAARN CC(C)(C)OC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982889 568622679 /nfs/dbraw/zinc/62/26/79/568622679.db2.gz YYKWXHIMKIRGAC-LEWJYISDSA-N 0 0 448.966 4.650 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984826 568623429 /nfs/dbraw/zinc/62/34/29/568623429.db2.gz BEOUDJBUXCHTII-LOSJGSFVSA-N 0 0 448.538 4.569 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)Nc1ccccc1Cl ZINC000000923640 568637834 /nfs/dbraw/zinc/63/78/34/568637834.db2.gz AQOZUEGKHZFODA-UHFFFAOYSA-N 0 0 449.967 4.967 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000925205 568637915 /nfs/dbraw/zinc/63/79/15/568637915.db2.gz JDPGXFKGINLPCM-UHFFFAOYSA-N 0 0 444.560 4.657 50 0 IJAARN O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(Br)cc1 ZINC000000936142 568638795 /nfs/dbraw/zinc/63/87/95/568638795.db2.gz WFWHXWDOGDRTJU-UHFFFAOYSA-N 0 0 428.311 4.565 50 0 IJAARN Cc1sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000000937714 568639210 /nfs/dbraw/zinc/63/92/10/568639210.db2.gz QUDKODYCZCMYNO-GFCCVEGCSA-N 0 0 425.460 4.911 50 0 IJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@H]4CCCc5ccccc54)c3)n2)o1 ZINC000025141988 568639385 /nfs/dbraw/zinc/63/93/85/568639385.db2.gz LFPKCUKXKYSNAD-QFIPXVFZSA-N 0 0 439.519 4.916 50 0 IJAARN COC(=O)c1cccc(N2C(=O)C(Cl)=C(Nc3ccc(Oc4ccccc4)cc3)C2=O)c1 ZINC000000938531 568639409 /nfs/dbraw/zinc/63/94/09/568639409.db2.gz IOQLCSBSKNNWNS-UHFFFAOYSA-N 0 0 448.862 4.701 50 0 IJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000951946 568645632 /nfs/dbraw/zinc/64/56/32/568645632.db2.gz JDCRDWLSCFUSDA-UHFFFAOYSA-N 0 0 429.270 4.689 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 ZINC000000954686 568646943 /nfs/dbraw/zinc/64/69/43/568646943.db2.gz BQLTVERCGUDQND-MRXNPFEDSA-N 0 0 435.702 4.561 50 0 IJAARN Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000976885 568648065 /nfs/dbraw/zinc/64/80/65/568648065.db2.gz DVHTXKZVRDOBBW-UHFFFAOYSA-N 0 0 438.940 4.932 50 0 IJAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000000991558 568650290 /nfs/dbraw/zinc/65/02/90/568650290.db2.gz AKFJQPSKBOWCFB-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)c(OC)c4)sc3n2)c1 ZINC000001026495 568653521 /nfs/dbraw/zinc/65/35/21/568653521.db2.gz DLJLEKJOJQGZDB-UHFFFAOYSA-N 0 0 435.505 4.824 50 0 IJAARN COc1ccc(Cl)cc1NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)S1 ZINC000001107403 568659390 /nfs/dbraw/zinc/65/93/90/568659390.db2.gz NULYPMPJTXCWSU-SFHVURJKSA-N 0 0 431.945 4.911 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccnc2ccccc21 ZINC000001127084 568661618 /nfs/dbraw/zinc/66/16/18/568661618.db2.gz JOBORKFXGZNROW-UHFFFAOYSA-N 0 0 427.489 4.806 50 0 IJAARN COC(=O)c1ccc(Oc2coc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001130844 568661992 /nfs/dbraw/zinc/66/19/92/568661992.db2.gz DJOJUQRNSMZHNE-UHFFFAOYSA-N 0 0 430.412 4.634 50 0 biogenic IJAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(I)cc3)C(=O)O2)cc1 ZINC000015134973 568664181 /nfs/dbraw/zinc/66/41/81/568664181.db2.gz ZYQCRLGOSSWKAQ-ATVHPVEESA-N 0 0 431.273 4.933 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4ccccc4)cc3N2)cc1 ZINC000001215200 568739653 /nfs/dbraw/zinc/73/96/53/568739653.db2.gz AOKRQZLDJMOVIE-ICSRJNTNSA-N 0 0 444.457 4.525 50 0 IJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1Br ZINC000003220315 568743117 /nfs/dbraw/zinc/74/31/17/568743117.db2.gz DAEAMHDDVIDYFH-UHFFFAOYSA-N 0 0 428.355 4.716 50 0 IJAARN CCOc1cc(C(=O)OCC(=O)Nc2cccc3ccccc32)cc(OCC)c1OCC ZINC000003259292 568744260 /nfs/dbraw/zinc/74/42/60/568744260.db2.gz ACZRSZWJFRDEOO-UHFFFAOYSA-N 0 0 437.492 4.831 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 ZINC000003274311 568744838 /nfs/dbraw/zinc/74/48/38/568744838.db2.gz WNXMHTYZSQDAIR-UHFFFAOYSA-N 0 0 434.974 4.742 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003345742 568746560 /nfs/dbraw/zinc/74/65/60/568746560.db2.gz NPWJJMOVIVGYLE-UHFFFAOYSA-N 0 0 445.894 4.590 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@H](C)Sc1nc3ccccc3c(=O)[nH]1)oc1ccccc12 ZINC000003358867 568747222 /nfs/dbraw/zinc/74/72/22/568747222.db2.gz RNVINOXBZQELCG-ZDUSSCGKSA-N 0 0 445.500 4.950 50 0 IJAARN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003413357 568748692 /nfs/dbraw/zinc/74/86/92/568748692.db2.gz DCLXLOBEEMIZJK-LBPRGKRZSA-N 0 0 443.550 4.631 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1Cc1ccco1 ZINC000003422594 568748858 /nfs/dbraw/zinc/74/88/58/568748858.db2.gz OEUPYSBMGCEOJC-KRWDZBQOSA-N 0 0 448.548 4.565 50 0 IJAARN Cc1ccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)[C@H](C)C2)nc3=O)cc1 ZINC000044167993 568749382 /nfs/dbraw/zinc/74/93/82/568749382.db2.gz ZEPVAZHGPGNHOJ-GOSISDBHSA-N 0 0 430.577 4.984 50 0 IJAARN COc1ccc(-n2c(/C=C3\c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)cc1 ZINC000031857535 568758488 /nfs/dbraw/zinc/75/84/88/568758488.db2.gz NEQDLRNEOMPZCA-CJLVFECKSA-N 0 0 437.499 4.690 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000031876011 568758691 /nfs/dbraw/zinc/75/86/91/568758691.db2.gz FYNZWVJOPBPENF-INIZCTEOSA-N 0 0 435.476 4.563 50 0 IJAARN COC(=O)COc1cccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)c1 ZINC000263586251 568759469 /nfs/dbraw/zinc/75/94/69/568759469.db2.gz RRRFCIPJHVEITR-OAQYLSRUSA-N 0 0 440.499 4.716 50 0 biogenic IJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cc(F)c(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263586976 568760026 /nfs/dbraw/zinc/76/00/26/568760026.db2.gz AOMMXXROKQJOSY-FQEVSTJZSA-N 0 0 439.437 4.840 50 0 IJAARN Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1cc4ccccc4nc1N(C)C)CC(=O)O2)CCC3 ZINC000263586942 568760063 /nfs/dbraw/zinc/76/00/63/568760063.db2.gz ZXIQFUPNROHRGG-SFHVURJKSA-N 0 0 440.499 4.645 50 0 biogenic IJAARN COc1ccc(CSc2nnc3c4c5c(sc4nc(C)n23)COC(C)(C)C5)cc1 ZINC000001244138 568774667 /nfs/dbraw/zinc/77/46/67/568774667.db2.gz VCFDWYYGHJFNNX-UHFFFAOYSA-N 0 0 426.567 4.800 50 0 IJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001255655 568775064 /nfs/dbraw/zinc/77/50/64/568775064.db2.gz JXVUXFANDCIWRU-UHFFFAOYSA-N 0 0 437.487 4.749 50 0 IJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263616022 568776596 /nfs/dbraw/zinc/77/65/96/568776596.db2.gz GNPLQIYCRSOESB-SFHVURJKSA-N 0 0 442.397 4.899 50 0 IJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263618144 568778213 /nfs/dbraw/zinc/77/82/13/568778213.db2.gz RLIKTEJRWAEBKT-MRXNPFEDSA-N 0 0 440.784 4.613 50 0 IJAARN O=c1c2ccccc2nc(/C=C\c2cc(Br)ccc2O)n1-c1ccc(O)cc1 ZINC000083330934 568780302 /nfs/dbraw/zinc/78/03/02/568780302.db2.gz SLRHVYJUCLGAGS-XGICHPGQSA-N 0 0 435.277 4.730 50 0 IJAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000004143423 568781926 /nfs/dbraw/zinc/78/19/26/568781926.db2.gz KNTUMKVNGVALJV-UHFFFAOYSA-N 0 0 426.495 4.641 50 0 IJAARN Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccc(Br)cc2)n1 ZINC000001392261 568785184 /nfs/dbraw/zinc/78/51/84/568785184.db2.gz KPJKFAUWTLVCDI-UHFFFAOYSA-N 0 0 435.368 4.673 50 0 IJAARN CCOC(=O)n1c2cc(Br)ccc2n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001397822 568785649 /nfs/dbraw/zinc/78/56/49/568785649.db2.gz FJDCTDALAAFGOL-UHFFFAOYSA-N 0 0 444.112 4.925 50 0 IJAARN COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SCc1cccc(Cl)c1)=N2 ZINC000001399095 568785951 /nfs/dbraw/zinc/78/59/51/568785951.db2.gz LHBWMVSBWHZMHN-IBGZPJMESA-N 0 0 443.956 4.905 50 0 IJAARN O=c1c(NS(=O)(=O)c2ccc(Cl)cc2)cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000001396503 568786131 /nfs/dbraw/zinc/78/61/31/568786131.db2.gz SOZSWUIVSFDXDY-UHFFFAOYSA-N 0 0 443.739 4.658 50 0 IJAARN Cn1c(CON2C(=O)c3ccccc3C2=O)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000001400586 568786319 /nfs/dbraw/zinc/78/63/19/568786319.db2.gz QYKYKIGPNYMIDF-UHFFFAOYSA-N 0 0 448.331 4.747 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CNC(=O)CC3CCCCC3)ccc2OC(F)F)cc1 ZINC000083952261 568786620 /nfs/dbraw/zinc/78/66/20/568786620.db2.gz AJDPUOZTYJQTTC-UHFFFAOYSA-N 0 0 446.494 4.989 50 0 IJAARN Cc1ccsc1[C@@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001422031 568793411 /nfs/dbraw/zinc/79/34/11/568793411.db2.gz HEFRAVIBLFBWNT-PMACEKPBSA-N 0 0 427.909 4.970 50 0 IJAARN Cc1cc(CN2CCCN(C(=O)c3cccs3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000084114672 568793586 /nfs/dbraw/zinc/79/35/86/568793586.db2.gz KPXYYICQKBNENN-UHFFFAOYSA-N 0 0 426.973 4.515 50 0 IJAARN COc1ccc([C@@H]2OC(=O)N(Cc3cccc(Cl)c3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001425594 568793773 /nfs/dbraw/zinc/79/37/73/568793773.db2.gz IDIIXCDNVWBCEH-UPVQGACJSA-N 0 0 439.895 4.896 50 0 IJAARN FC(F)(F)c1ccc(-c2noc(COc3ccc(I)cc3)n2)cc1 ZINC000001432783 568795402 /nfs/dbraw/zinc/79/54/02/568795402.db2.gz LGEDRXKUJBJJOJ-UHFFFAOYSA-N 0 0 446.166 4.939 50 0 IJAARN Cc1nc(C2(NC(=O)c3ccc(Oc4ccccc4Br)nc3)CCCC2)no1 ZINC000084280678 568796851 /nfs/dbraw/zinc/79/68/51/568796851.db2.gz BOKSQOFMPBIWGF-UHFFFAOYSA-N 0 0 443.301 4.527 50 0 IJAARN Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc3C)ccc2o1 ZINC000015542109 568797361 /nfs/dbraw/zinc/79/73/61/568797361.db2.gz RCAZEFBBOBXUES-UHFFFAOYSA-N 0 0 439.468 4.637 50 0 IJAARN O=c1c2ccccc2nc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)n1C1CC1 ZINC000084587406 568798951 /nfs/dbraw/zinc/79/89/51/568798951.db2.gz PVLIQYJALMMOKM-MHZLTWQESA-N 0 0 439.389 4.938 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000084647532 568799601 /nfs/dbraw/zinc/79/96/01/568799601.db2.gz VVGAYPFVRLSYDI-JXFKEZNVSA-N 0 0 428.529 4.537 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000001436984 568800610 /nfs/dbraw/zinc/80/06/10/568800610.db2.gz CTZPNOIPOGQGIQ-QHCPKHFHSA-N 0 0 430.529 4.972 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1)Nc1nccs1 ZINC000015669781 568802130 /nfs/dbraw/zinc/80/21/30/568802130.db2.gz YDAUIQQGGQVXFJ-UHFFFAOYSA-N 0 0 444.538 4.875 50 0 IJAARN CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000015669946 568802175 /nfs/dbraw/zinc/80/21/75/568802175.db2.gz OJOZJOIPHQUTNK-UHFFFAOYSA-N 0 0 427.460 4.932 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(Cc2ccco2)C3=O)o1 ZINC000015675715 568803895 /nfs/dbraw/zinc/80/38/95/568803895.db2.gz SYEIDURCESLGKH-RUZDIDTESA-N 0 0 437.540 4.780 50 0 IJAARN CCc1ccc(CNC(=O)CCCN2c3cc(C)ccc3Oc3ncccc3C2=O)cc1 ZINC000015680076 568805809 /nfs/dbraw/zinc/80/58/09/568805809.db2.gz UMTHWMDCOIRKLD-UHFFFAOYSA-N 0 0 429.520 4.802 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000015731979 568815077 /nfs/dbraw/zinc/81/50/77/568815077.db2.gz PARXXEWXPGYZLA-UHFFFAOYSA-N 0 0 448.573 4.881 50 0 IJAARN CSc1ccc(CNC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733432 568815877 /nfs/dbraw/zinc/81/58/77/568815877.db2.gz GPPSOZBXKBEDSA-UHFFFAOYSA-N 0 0 431.517 4.821 50 0 IJAARN CCn1c(SC(C)C)nnc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000085392921 568816912 /nfs/dbraw/zinc/81/69/12/568816912.db2.gz FKAKMBBYNRZPSF-UHFFFAOYSA-N 0 0 426.567 4.657 50 0 IJAARN COc1ccc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000001469784 568820666 /nfs/dbraw/zinc/82/06/66/568820666.db2.gz UWEUCCHUTZLMQT-UHFFFAOYSA-N 0 0 445.924 4.701 50 0 IJAARN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000015781033 568825551 /nfs/dbraw/zinc/82/55/51/568825551.db2.gz UFHUHPGOVNSVSM-NRFANRHFSA-N 0 0 447.553 4.539 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000026042468 568826575 /nfs/dbraw/zinc/82/65/75/568826575.db2.gz WAUYHIXKSYGSEK-HNNXBMFYSA-N 0 0 427.957 4.568 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000085651181 568831820 /nfs/dbraw/zinc/83/18/20/568831820.db2.gz CYNQMXHZZBKUJH-AWEZNQCLSA-N 0 0 427.888 4.640 50 0 IJAARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SC[C@@H]2CCCCO2)CCCC4)cc1 ZINC000001049827 568836424 /nfs/dbraw/zinc/83/64/24/568836424.db2.gz NXDSXUNKCSWESO-KRWDZBQOSA-N 0 0 442.606 4.996 50 0 IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccsc3)CC(=O)O4)c2=O)cc1 ZINC000085879444 568839144 /nfs/dbraw/zinc/83/91/44/568839144.db2.gz MQZJLPUHVZXFGV-INIZCTEOSA-N 0 0 434.469 4.980 50 0 biogenic IJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](c3ccc(C)o3)CC(=O)O4)c2=O)cc1 ZINC000085879854 568839145 /nfs/dbraw/zinc/83/91/45/568839145.db2.gz NTHXEBXJZSNKIR-MRXNPFEDSA-N 0 0 432.428 4.820 50 0 biogenic IJAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@H](C(=O)Nc1ccccc1)C2 ZINC000230129297 568839184 /nfs/dbraw/zinc/83/91/84/568839184.db2.gz HRQKTIVWAJOMSF-RSXGOPAZSA-N 0 0 427.548 4.510 50 0 IJAARN CCCC[C@H](CC)C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@H]1C ZINC000253390000 568839365 /nfs/dbraw/zinc/83/93/65/568839365.db2.gz OFMRYVGAPLYNKU-MOPGFXCFSA-N 0 0 426.561 4.531 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2cc(Oc3ccc(OC)cc3)ncn2)C[C@H]1C)c1ccccc1 ZINC000245327470 568839406 /nfs/dbraw/zinc/83/94/06/568839406.db2.gz JLHAXLRLCXQUSO-AUSIDOKSSA-N 0 0 446.551 4.508 50 0 IJAARN CCOc1ccccc1NC(=O)COc1cc(CSc2nc(C)cs2)ncc1OC ZINC000015823852 568840270 /nfs/dbraw/zinc/84/02/70/568840270.db2.gz YCAMUKQFAPKYBD-UHFFFAOYSA-N 0 0 445.566 4.564 50 0 IJAARN O=C(NCCNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000043191235 568842934 /nfs/dbraw/zinc/84/29/34/568842934.db2.gz KQAUTFQDLXFORG-UHFFFAOYSA-N 0 0 434.340 4.667 50 0 IJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cc(C)cc(C)c3)nc2c1 ZINC000015865446 568850601 /nfs/dbraw/zinc/85/06/01/568850601.db2.gz KYXDAKPQOYJQKU-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN COc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1OC ZINC000015881571 568855389 /nfs/dbraw/zinc/85/53/89/568855389.db2.gz ZYRGUQNKHHXLCO-UHFFFAOYSA-N 0 0 434.496 4.546 50 0 IJAARN COc1cc(/C=C/C(=O)NCCc2ccc(-c3ccsc3)s2)cc(OC)c1OC ZINC000575414092 568860790 /nfs/dbraw/zinc/86/07/90/568860790.db2.gz SIAANCSWJILRPB-QPJJXVBHSA-N 0 0 429.563 4.875 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000015979198 568861500 /nfs/dbraw/zinc/86/15/00/568861500.db2.gz NOFXIBIPZGISKN-UHFFFAOYSA-N 0 0 445.515 4.957 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2Cl)cc1 ZINC000015981049 568861860 /nfs/dbraw/zinc/86/18/60/568861860.db2.gz FHHAWDDRDXLHNR-HSZRJFAPSA-N 0 0 448.906 4.883 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)cc(OCC)c1OCC ZINC000016047590 568869157 /nfs/dbraw/zinc/86/91/57/568869157.db2.gz NWBXHMYJVZGCBK-UHFFFAOYSA-N 0 0 437.905 4.900 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016047974 568869363 /nfs/dbraw/zinc/86/93/63/568869363.db2.gz HXGRXMATZNSUHZ-UHFFFAOYSA-N 0 0 445.899 4.513 50 0 IJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2)o1 ZINC000012941798 568870157 /nfs/dbraw/zinc/87/01/57/568870157.db2.gz YYXVPQWVYQJINK-HXUWFJFHSA-N 0 0 441.487 4.624 50 0 IJAARN C[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(-c2ccccc2)cc1 ZINC000012946873 568871261 /nfs/dbraw/zinc/87/12/61/568871261.db2.gz PTYSUGDCBQEHKD-INIZCTEOSA-N 0 0 435.574 4.534 50 0 IJAARN O=C(NC1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006185549 568871291 /nfs/dbraw/zinc/87/12/91/568871291.db2.gz BIEOBNDAHXLPAF-UHFFFAOYSA-N 0 0 438.656 4.963 50 0 IJAARN O=C(c1ccccc1Br)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607540 568889872 /nfs/dbraw/zinc/88/98/72/568889872.db2.gz WXMAMGSCNQELGV-UHFFFAOYSA-N 0 0 429.236 4.547 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(NCc4ccccc4)s3)n2)c(OC)c1 ZINC000012976010 568890121 /nfs/dbraw/zinc/89/01/21/568890121.db2.gz MEOUGEPMAXIEMQ-UHFFFAOYSA-N 0 0 441.538 4.510 50 0 IJAARN COc1ccccc1-c1noc(COC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)n1 ZINC000032671751 568895946 /nfs/dbraw/zinc/89/59/46/568895946.db2.gz OIBPDDSHRBVCKA-ZRDIBKRKSA-N 0 0 438.480 4.545 50 0 IJAARN Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(OCc4ccccn4)cc3)CC2)c1C ZINC000036397657 568896388 /nfs/dbraw/zinc/89/63/88/568896388.db2.gz HKDVOSRDKHRZIY-SDNWHVSQSA-N 0 0 427.548 4.639 50 0 IJAARN Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000035671481 568897319 /nfs/dbraw/zinc/89/73/19/568897319.db2.gz QRZRCFUIQTVYHD-UHFFFAOYSA-N 0 0 436.518 4.729 50 0 IJAARN Cc1cccc(NC(=O)CN(C)C(=O)c2csc(COc3ccc(Cl)cc3)n2)c1C ZINC000013015440 568901308 /nfs/dbraw/zinc/90/13/08/568901308.db2.gz VEFZJBPDYHZVJH-UHFFFAOYSA-N 0 0 443.956 4.703 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(C)c2ccccc2)cc1OC ZINC000016446032 568902715 /nfs/dbraw/zinc/90/27/15/568902715.db2.gz VGKLEGSTXSFHBK-FQEVSTJZSA-N 0 0 435.549 4.579 50 0 IJAARN CCCN1C(=O)N[C@@H](c2cccc(NC(=O)C3CCCCC3)c2)C(C(=O)OCC)=C1C ZINC000035710554 568907611 /nfs/dbraw/zinc/90/76/11/568907611.db2.gz RGCXLFVQHJQUIQ-NRFANRHFSA-N 0 0 427.545 4.519 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000138934674 568909403 /nfs/dbraw/zinc/90/94/03/568909403.db2.gz MPNFCRMMSSJXAV-PCCBWWKXSA-N 0 0 438.405 4.757 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCC[C@H]3c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000239386686 568911377 /nfs/dbraw/zinc/91/13/77/568911377.db2.gz PZFKBUVCFMKXLV-SFTDATJTSA-N 0 0 435.549 4.865 50 0 IJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 ZINC000245254550 568913482 /nfs/dbraw/zinc/91/34/82/568913482.db2.gz AARNTHXWEJZYEM-LVXARBLLSA-N 0 0 446.503 4.963 50 0 IJAARN C[C@H](CNC(=O)c1cc(Br)ccc1I)c1ccccc1 ZINC000026755366 568916490 /nfs/dbraw/zinc/91/64/90/568916490.db2.gz QXLZNXLFXJCZBW-LLVKDONJSA-N 0 0 444.110 4.587 50 0 IJAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000026793067 568916889 /nfs/dbraw/zinc/91/68/89/568916889.db2.gz HAYFZBJEPXZWFP-UHFFFAOYSA-N 0 0 426.306 4.725 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 ZINC000026842251 568917831 /nfs/dbraw/zinc/91/78/31/568917831.db2.gz FKGVBQCYDBLWNN-AUUYWEPGSA-N 0 0 426.925 4.732 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)CCc1ccccc1 ZINC000001919169 568922859 /nfs/dbraw/zinc/92/28/59/568922859.db2.gz YMLLXPFLJPENOQ-UHFFFAOYSA-N 0 0 437.517 4.706 50 0 IJAARN COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)Nc2ccccc2OC)cc1 ZINC000001951721 568923780 /nfs/dbraw/zinc/92/37/80/568923780.db2.gz ROBOQEXAFZBPAT-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 IJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2ccccc2F)cc1OC ZINC000001978705 568924200 /nfs/dbraw/zinc/92/42/00/568924200.db2.gz JHVGHTPGEUYWJN-UHFFFAOYSA-N 0 0 449.434 4.634 50 0 IJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001994023 568924486 /nfs/dbraw/zinc/92/44/86/568924486.db2.gz QPNZCRZJCNSPAE-UHFFFAOYSA-N 0 0 443.455 4.689 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000016613701 568925789 /nfs/dbraw/zinc/92/57/89/568925789.db2.gz RLZFRMKCHRMNBC-OAQYLSRUSA-N 0 0 435.549 4.626 50 0 IJAARN C[C@@]1(CCc2ccc(O)cc2)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 ZINC000521398846 568927544 /nfs/dbraw/zinc/92/75/44/568927544.db2.gz MXGRFOXGGMSGKH-RUZDIDTESA-N 0 0 428.467 4.548 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000064452497 568929470 /nfs/dbraw/zinc/92/94/70/568929470.db2.gz QDLWTJCACXAINM-IBGZPJMESA-N 0 0 436.943 4.764 50 0 IJAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1F ZINC000064473160 568930304 /nfs/dbraw/zinc/93/03/04/568930304.db2.gz NWRDLKPKWXQZPA-UHFFFAOYSA-N 0 0 435.478 4.818 50 0 IJAARN CC(C)CCN1c2ccc(Br)cc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064202 568930781 /nfs/dbraw/zinc/93/07/81/568930781.db2.gz YXAHXKHOVJKSRZ-QHCPKHFHSA-N 0 0 438.369 4.712 50 0 biogenic IJAARN CCc1c(C)nc(-c2cccc(C)c2)nc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000035890631 568931010 /nfs/dbraw/zinc/93/10/10/568931010.db2.gz ASMSFNYMDNVIPB-UHFFFAOYSA-N 0 0 433.531 4.816 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)c1 ZINC000064578559 568933900 /nfs/dbraw/zinc/93/39/00/568933900.db2.gz ANORUNYYROMFNF-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 IJAARN CCn1cc(-c2nnc(SCC(=O)NC3CCCCCC3)n2CC)c2ccccc21 ZINC000004758605 568940207 /nfs/dbraw/zinc/94/02/07/568940207.db2.gz XUMARZGDLSOHEI-UHFFFAOYSA-N 0 0 425.602 4.871 50 0 IJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccc(C)cc3)csc21 ZINC000064656713 568942176 /nfs/dbraw/zinc/94/21/76/568942176.db2.gz FMCRYQICHJQDKC-QGZVFWFLSA-N 0 0 427.547 4.762 50 0 IJAARN O=C1C[C@H](c2cccc(Br)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656607 568942230 /nfs/dbraw/zinc/94/22/30/568942230.db2.gz SDVFBMSVBKWBLG-OAHLLOKOSA-N 0 0 448.363 4.818 50 0 IJAARN Cc1c(S(=O)(=O)NCc2ccc(C)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668063 568943091 /nfs/dbraw/zinc/94/30/91/568943091.db2.gz ZAFOVYOYWSRDJL-UHFFFAOYSA-N 0 0 437.590 4.911 50 0 IJAARN Cc1ccc(CNC(=O)Cc2csc3nc(-c4cccc(Br)c4)cn23)cc1 ZINC000064676316 568943937 /nfs/dbraw/zinc/94/39/37/568943937.db2.gz MCUBSFQJVCIAJK-UHFFFAOYSA-N 0 0 440.366 4.993 50 0 IJAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)NCCC(C)C)nn3c2NC(C)(C)C)cc1 ZINC000064704055 568944490 /nfs/dbraw/zinc/94/44/90/568944490.db2.gz QYOQNKFSPOAHOW-UHFFFAOYSA-N 0 0 442.633 4.575 50 0 IJAARN COCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000036073082 568945605 /nfs/dbraw/zinc/94/56/05/568945605.db2.gz FUSBXWIRQLQJGJ-UHFFFAOYSA-N 0 0 435.568 4.551 50 0 IJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccncc3)co2)Cc2ccccc2)c(C)c1 ZINC000036082898 568946821 /nfs/dbraw/zinc/94/68/21/568946821.db2.gz GAWMAWQSDBQLMU-UHFFFAOYSA-N 0 0 440.547 4.819 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2)N(CC)C(=O)N[C@@H]1c1ccccc1Cl ZINC000036083422 568947051 /nfs/dbraw/zinc/94/70/51/568947051.db2.gz MRICZXKBEAOKTG-JOCHJYFZSA-N 0 0 442.943 4.939 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000036083585 568947219 /nfs/dbraw/zinc/94/72/19/568947219.db2.gz BMZJFBSSRITHBY-DEOSSOPVSA-N 0 0 436.552 4.821 50 0 IJAARN O=C(NCc1ccccc1)c1coc(CN(Cc2ccccc2)Cc2cccc(F)c2)n1 ZINC000036082876 568947617 /nfs/dbraw/zinc/94/76/17/568947617.db2.gz VHCKMSGURFLJJK-UHFFFAOYSA-N 0 0 429.495 4.946 50 0 IJAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3OC)no2)cc1Cl ZINC000064747661 568950136 /nfs/dbraw/zinc/95/01/36/568950136.db2.gz BBVOIYHRHBISNA-MRXNPFEDSA-N 0 0 428.876 4.776 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1OC ZINC000064747856 568950442 /nfs/dbraw/zinc/95/04/42/568950442.db2.gz OMBVSXQPGDYEIJ-UHFFFAOYSA-N 0 0 438.596 4.862 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cccc(C)c4)CC3=O)c2)cc1 ZINC000064754766 568950963 /nfs/dbraw/zinc/95/09/63/568950963.db2.gz ACZJUTRWWTXTAT-HXUWFJFHSA-N 0 0 427.504 4.547 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1C ZINC000064754630 568951011 /nfs/dbraw/zinc/95/10/11/568951011.db2.gz NTQRIZWIONRGAP-HXUWFJFHSA-N 0 0 427.504 4.547 50 0 IJAARN Cc1sc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C(=O)Nc1ccc(F)c(F)c1 ZINC000064756226 568951440 /nfs/dbraw/zinc/95/14/40/568951440.db2.gz YDKRZQRMUPYKRF-UHFFFAOYSA-N 0 0 425.460 4.654 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000036115844 568955580 /nfs/dbraw/zinc/95/55/80/568955580.db2.gz GTRCVGVHPBNQCL-FQEVSTJZSA-N 0 0 447.000 4.555 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036115605 568955623 /nfs/dbraw/zinc/95/56/23/568955623.db2.gz LYGKWGBQHIZJKW-FQEVSTJZSA-N 0 0 449.016 4.801 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119448 568956106 /nfs/dbraw/zinc/95/61/06/568956106.db2.gz NUHFWQDWYKJCDB-NQIIRXRSSA-N 0 0 428.598 4.536 50 0 IJAARN CC(C)CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119694 568956845 /nfs/dbraw/zinc/95/68/45/568956845.db2.gz AVELERCGPRZPRQ-QFIPXVFZSA-N 0 0 442.625 4.784 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)CC(C)C ZINC000036121009 568957700 /nfs/dbraw/zinc/95/77/00/568957700.db2.gz XYPWMPTYWMHUAR-NRFANRHFSA-N 0 0 446.588 4.677 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(N2CCOCC2)n1 ZINC000064801328 568960980 /nfs/dbraw/zinc/96/09/80/568960980.db2.gz IUENUPOPJZNWQQ-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000006722509 568963169 /nfs/dbraw/zinc/96/31/69/568963169.db2.gz GEXARGIAMTYYLT-UHFFFAOYSA-N 0 0 425.554 4.844 50 0 IJAARN COc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036152583 568963700 /nfs/dbraw/zinc/96/37/00/568963700.db2.gz CZODKSWNWZBAJQ-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN O=C(C1CCCC1)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150718 568964061 /nfs/dbraw/zinc/96/40/61/568964061.db2.gz DLVZSASCUZPPHJ-UHFFFAOYSA-N 0 0 445.563 4.897 50 0 IJAARN COC(=O)C[C@H](N[C@@H]1c2ccccc2C(=O)N1[C@H](C)c1ccccc1)c1cccc(F)c1 ZINC000036154238 568964208 /nfs/dbraw/zinc/96/42/08/568964208.db2.gz NXBINCCJBLFLIN-LAMXGVLKSA-N 0 0 432.495 4.935 50 0 IJAARN CC(C)c1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000064816256 568965113 /nfs/dbraw/zinc/96/51/13/568965113.db2.gz HRTGMXBQXYIYEA-SANMLTNESA-N 0 0 446.551 4.744 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccs1)C(=O)N2Cc1cccc(C)c1 ZINC000036164865 568968112 /nfs/dbraw/zinc/96/81/12/568968112.db2.gz BIJRQRYBAZINFM-DEOSSOPVSA-N 0 0 434.586 4.954 50 0 IJAARN Cc1ccc(CN2c3ccc(C)cc3[C@@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036164803 568968248 /nfs/dbraw/zinc/96/82/48/568968248.db2.gz IDMDMTWKBLKLCN-AREMUKBSSA-N 0 0 428.557 4.892 50 0 IJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(Br)c(C)c3)no2)cc1 ZINC000064839895 568969749 /nfs/dbraw/zinc/96/97/49/568969749.db2.gz MIFKJGISBGDTMQ-UHFFFAOYSA-N 0 0 429.318 4.822 50 0 IJAARN Cc1cc(NC(=O)N(C)CCc2noc(-c3ccc(F)cc3)n2)ccc1Br ZINC000064840219 568969759 /nfs/dbraw/zinc/96/97/59/568969759.db2.gz INLQZDGGEYCXIY-UHFFFAOYSA-N 0 0 433.281 4.653 50 0 IJAARN Cc1ccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(C4CCCCC4)cc3)no2)cc1 ZINC000064841272 568969790 /nfs/dbraw/zinc/96/97/90/568969790.db2.gz KPAXWPZZFAVWHW-UHFFFAOYSA-N 0 0 439.581 4.956 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cc(Cl)ccc3C)no2)cc1 ZINC000064840472 568969859 /nfs/dbraw/zinc/96/98/59/568969859.db2.gz IHKATYYMSKNHGC-UHFFFAOYSA-N 0 0 428.920 4.879 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cc(Cl)ccc3OC)no2)cc1 ZINC000064840467 568969934 /nfs/dbraw/zinc/96/99/34/568969934.db2.gz QDDWLZZCCDZANG-UHFFFAOYSA-N 0 0 444.919 4.579 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2)cc1F ZINC000036188981 568970809 /nfs/dbraw/zinc/97/08/09/568970809.db2.gz NKJTVXICTYNITH-IAMHBRQHSA-N 0 0 436.524 4.629 50 0 IJAARN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nc(-c2ccc(OC)cc2)c2c(C)onc2c1=O ZINC000064842642 568971089 /nfs/dbraw/zinc/97/10/89/568971089.db2.gz BEWUWCCYSYUNDM-LJQANCHMSA-N 0 0 446.507 4.575 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000064847751 568971148 /nfs/dbraw/zinc/97/11/48/568971148.db2.gz MBJMCZUHGXUNNB-SFHVURJKSA-N 0 0 437.540 4.690 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000064847885 568971378 /nfs/dbraw/zinc/97/13/78/568971378.db2.gz GPWCMTRZTTVVFV-OAHLLOKOSA-N 0 0 445.947 4.876 50 0 IJAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848111 568971627 /nfs/dbraw/zinc/97/16/27/568971627.db2.gz BDIYMJXUYVMWDX-UHFFFAOYSA-N 0 0 445.947 4.684 50 0 biogenic IJAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000036214017 568977115 /nfs/dbraw/zinc/97/71/15/568977115.db2.gz HGNFQLLCMVHBRO-MRXNPFEDSA-N 0 0 442.544 4.962 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000064888032 568979203 /nfs/dbraw/zinc/97/92/03/568979203.db2.gz TZYLIZYETAIHDU-UHFFFAOYSA-N 0 0 431.970 4.705 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c(C)c1 ZINC000064888051 568979306 /nfs/dbraw/zinc/97/93/06/568979306.db2.gz JWXWZJXVFRBUIB-UHFFFAOYSA-N 0 0 437.540 4.746 50 0 IJAARN CCCn1c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2nc(C)c1=O ZINC000064890435 568981314 /nfs/dbraw/zinc/98/13/14/568981314.db2.gz SMPPDHOBHCKVLS-UHFFFAOYSA-N 0 0 425.286 4.594 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(C)cc2)[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000036247832 568982422 /nfs/dbraw/zinc/98/24/22/568982422.db2.gz MOBWIWSAWAPFMH-KRWDZBQOSA-N 0 0 425.506 4.689 50 0 IJAARN Cc1c(Cl)cccc1S(=O)(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000036248260 568982576 /nfs/dbraw/zinc/98/25/76/568982576.db2.gz NKQNAVAOKUUHPQ-UHFFFAOYSA-N 0 0 433.888 4.912 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1OC ZINC000036249401 568983202 /nfs/dbraw/zinc/98/32/02/568983202.db2.gz BMYWFASVZNDEEH-LJQANCHMSA-N 0 0 449.551 4.628 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928926 568987282 /nfs/dbraw/zinc/98/72/82/568987282.db2.gz NSKLMXXFDFZAQU-OAHLLOKOSA-N 0 0 428.870 4.930 50 0 IJAARN CCOc1ccc(CC(=O)N2CCN(Cc3ccc(C)cc3)c3ncccc32)cc1OCC ZINC000064929718 568988271 /nfs/dbraw/zinc/98/82/71/568988271.db2.gz XVTJTHSGTFZWGE-UHFFFAOYSA-N 0 0 445.563 4.783 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 ZINC000064930356 568988631 /nfs/dbraw/zinc/98/86/31/568988631.db2.gz KQRKMPISAAIYHF-QGZVFWFLSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)s1 ZINC000064930338 568988658 /nfs/dbraw/zinc/98/86/58/568988658.db2.gz WJOUCJGUWXGMEV-MRXNPFEDSA-N 0 0 445.907 4.952 50 0 IJAARN CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169677342 568989680 /nfs/dbraw/zinc/98/96/80/568989680.db2.gz AYAHQWHCPIBVJS-GMAHTHKFSA-N 0 0 445.529 4.735 50 0 IJAARN CC(=O)Nc1nc(-c2ccccc2)c2n1N(Cc1ccccc1)CN(Cc1ccccc1)C2 ZINC000169681384 568992234 /nfs/dbraw/zinc/99/22/34/568992234.db2.gz ABSSTYHDVFWKKT-UHFFFAOYSA-N 0 0 437.547 4.620 50 0 IJAARN CCOc1ccc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)cc1 ZINC000064945060 568993451 /nfs/dbraw/zinc/99/34/51/568993451.db2.gz RSTWAPHKHABIJY-UHFFFAOYSA-N 0 0 428.945 4.872 50 0 IJAARN O=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(Br)cc1 ZINC000064944722 568993461 /nfs/dbraw/zinc/99/34/61/568993461.db2.gz CSIBWLUBTOUJPK-UHFFFAOYSA-N 0 0 429.343 4.582 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1Cl ZINC000064947451 568995100 /nfs/dbraw/zinc/99/51/00/568995100.db2.gz GPRUCAUPAOKMTL-UHFFFAOYSA-N 0 0 446.941 4.647 50 0 IJAARN CC[C@H](C)CNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000036310542 568996654 /nfs/dbraw/zinc/99/66/54/568996654.db2.gz MGMMLSPSSCTJSE-RDPSFJRHSA-N 0 0 442.648 4.681 50 0 IJAARN O=C(c1ccccc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000036312475 568997713 /nfs/dbraw/zinc/99/77/13/568997713.db2.gz SBFPUZKZFCKOLR-JOCHJYFZSA-N 0 0 431.536 4.763 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)CC(C)(C)C ZINC000036313482 568998552 /nfs/dbraw/zinc/99/85/52/568998552.db2.gz JDZGZYQOPDNEDC-UHFFFAOYSA-N 0 0 440.632 4.904 50 0 IJAARN Cc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)n2)c1 ZINC000064960803 569000395 /nfs/dbraw/zinc/00/03/95/569000395.db2.gz MCHHIPUWAAXIKS-UHFFFAOYSA-N 0 0 425.554 4.737 50 0 IJAARN CSc1cccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4C)oc3C)c2C)c1 ZINC000064967497 569001116 /nfs/dbraw/zinc/00/11/16/569001116.db2.gz AXQFLWMGFZZSAG-UHFFFAOYSA-N 0 0 433.537 4.881 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000064976818 569077251 /nfs/dbraw/zinc/07/72/51/569077251.db2.gz OACFJAFHSIQTBQ-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3cccc(Cl)c3)cc2=O)s1 ZINC000064976860 569077276 /nfs/dbraw/zinc/07/72/76/569077276.db2.gz FXYDGXYUYDZAJE-UHFFFAOYSA-N 0 0 439.924 4.858 50 0 IJAARN COc1cc2c(C(=O)Oc3cccc(F)c3)cn(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000064977176 569077525 /nfs/dbraw/zinc/07/75/25/569077525.db2.gz DKQCOKUVCOZBSV-UHFFFAOYSA-N 0 0 433.435 4.675 50 0 IJAARN Cc1cc(C)c(C(=O)Cn2c3ccccc3c3nc(-c4ccc(F)cc4)nn3c2=O)cc1C ZINC000064977906 569077721 /nfs/dbraw/zinc/07/77/21/569077721.db2.gz JZUSIQBBDAZUDC-UHFFFAOYSA-N 0 0 440.478 4.658 50 0 IJAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4Cl)c(=O)n3n2)cc1 ZINC000064977885 569077733 /nfs/dbraw/zinc/07/77/33/569077733.db2.gz YXXVEJSITUYVLY-UHFFFAOYSA-N 0 0 428.879 4.556 50 0 IJAARN CCN1c2ccc(NC(=O)CSc3nccc(C)n3)cc2Sc2ccccc2C1=O ZINC000064979736 569078287 /nfs/dbraw/zinc/07/82/87/569078287.db2.gz LVVRAMVUCVCTMX-UHFFFAOYSA-N 0 0 436.562 4.647 50 0 IJAARN COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(C)CC2)c1 ZINC000036341694 569078964 /nfs/dbraw/zinc/07/89/64/569078964.db2.gz LIVJAOYXZVYAQJ-RUZDIDTESA-N 0 0 449.595 4.730 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345429 569080562 /nfs/dbraw/zinc/08/05/62/569080562.db2.gz HGWBVYMDFOIOFT-SANMLTNESA-N 0 0 427.523 4.870 50 0 IJAARN CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345989 569080936 /nfs/dbraw/zinc/08/09/36/569080936.db2.gz CDYPOPOKDHKAFJ-NRFANRHFSA-N 0 0 441.547 4.722 50 0 IJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)C2=O)cc1 ZINC000064988851 569082944 /nfs/dbraw/zinc/08/29/44/569082944.db2.gz OOHZSZRXZWPECD-UHFFFAOYSA-N 0 0 440.975 4.891 50 0 IJAARN CC[C@@H](C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2)c1ccccc1 ZINC000064989960 569083140 /nfs/dbraw/zinc/08/31/40/569083140.db2.gz UINKQIBLSRAIEV-XMMPIXPASA-N 0 0 428.532 4.708 50 0 IJAARN COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000064990712 569083489 /nfs/dbraw/zinc/08/34/89/569083489.db2.gz QGVQTGOVYGZKPQ-UHFFFAOYSA-N 0 0 435.911 4.873 50 0 IJAARN Cc1ccc(-n2cc3c(c(C(=O)N(C)c4ccccc4F)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000405 569085890 /nfs/dbraw/zinc/08/58/90/569085890.db2.gz YUECMOQMHFZQFO-UHFFFAOYSA-N 0 0 432.495 4.717 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023184 569089170 /nfs/dbraw/zinc/08/91/70/569089170.db2.gz MAKJVGKMJWBUGS-OAHLLOKOSA-N 0 0 428.870 4.930 50 0 IJAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(OC)c1 ZINC000065031553 569091480 /nfs/dbraw/zinc/09/14/80/569091480.db2.gz BMPUISAUQUSRFE-INIZCTEOSA-N 0 0 429.476 4.720 50 0 IJAARN CC(C)N(C(=O)Cn1cc(SCC(=O)N2CCCCCC2)c2ccccc21)C(C)C ZINC000006867541 569092984 /nfs/dbraw/zinc/09/29/84/569092984.db2.gz MDUNQCMDVAJJQV-UHFFFAOYSA-N 0 0 429.630 4.781 50 0 IJAARN Cc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)s1 ZINC000169753052 569093382 /nfs/dbraw/zinc/09/33/82/569093382.db2.gz YNCYRQPTUZGJPT-UHFFFAOYSA-N 0 0 445.386 4.562 50 0 IJAARN CCCc1cc(=O)n(CC(=O)Nc2cccc(SC)c2)c(-c2ccc(Cl)cc2)n1 ZINC000169756978 569093961 /nfs/dbraw/zinc/09/39/61/569093961.db2.gz AZFBMDOJJOCLSU-UHFFFAOYSA-N 0 0 427.957 4.877 50 0 IJAARN Cc1noc2nc(CCC(=O)Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)c12 ZINC000065056268 569094776 /nfs/dbraw/zinc/09/47/76/569094776.db2.gz HPRWHDJUYQVOSL-UHFFFAOYSA-N 0 0 433.434 4.507 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(OC)cc4)nc3)cc2)cc1 ZINC000065057727 569095370 /nfs/dbraw/zinc/09/53/70/569095370.db2.gz DKGUYBJBCJSHMB-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)c(OC)c1 ZINC000065058122 569095473 /nfs/dbraw/zinc/09/54/73/569095473.db2.gz MPYCBMQGGDEWIG-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000065058960 569095529 /nfs/dbraw/zinc/09/55/29/569095529.db2.gz PTULHPKMOWEJJF-NRFANRHFSA-N 0 0 448.336 4.539 50 0 IJAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000065058964 569095915 /nfs/dbraw/zinc/09/59/15/569095915.db2.gz QCVTWJHWMMPBCY-NRFANRHFSA-N 0 0 437.437 4.795 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCC4CCCCC4)c3=O)cc2)c1 ZINC000065062815 569097350 /nfs/dbraw/zinc/09/73/50/569097350.db2.gz UNQXYPBCPDOLHR-UHFFFAOYSA-N 0 0 443.547 4.708 50 0 IJAARN CCN1c2cc(C(=O)NCc3ccc(F)cc3Cl)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766475 569097578 /nfs/dbraw/zinc/09/75/78/569097578.db2.gz XSYIGXIZSIRKFD-NRFANRHFSA-N 0 0 429.923 4.591 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(Br)cc3)CC2)no1 ZINC000065076768 569099840 /nfs/dbraw/zinc/09/98/40/569099840.db2.gz RBVALRSIDCIFSY-UHFFFAOYSA-N 0 0 426.314 4.827 50 0 IJAARN Cc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccccc5)CC4)csc3n2)cc1C ZINC000065079664 569100991 /nfs/dbraw/zinc/10/09/91/569100991.db2.gz JCKTYAYHEPUVLC-UHFFFAOYSA-N 0 0 430.577 4.571 50 0 IJAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(Cl)cc2)C1 ZINC000065080676 569101035 /nfs/dbraw/zinc/10/10/35/569101035.db2.gz APQNFRYPYSXPKC-HIFRSBDPSA-N 0 0 431.993 4.575 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000065096768 569103662 /nfs/dbraw/zinc/10/36/62/569103662.db2.gz FMECUABAFAPJCC-XMMPIXPASA-N 0 0 434.923 4.556 50 0 IJAARN Fc1cccc(-c2noc(-c3ccc(N4CCN(c5cccc(Cl)c5)CC4)nc3)n2)c1 ZINC000065097904 569104132 /nfs/dbraw/zinc/10/41/32/569104132.db2.gz NGPBUWHLEZETHC-UHFFFAOYSA-N 0 0 435.890 4.918 50 0 IJAARN Cc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1C ZINC000065097906 569104138 /nfs/dbraw/zinc/10/41/38/569104138.db2.gz PWGBCQWZHSMRDN-UHFFFAOYSA-N 0 0 429.499 4.881 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cn(C)nc1-c1ccc(C)cc1 ZINC000065099297 569105048 /nfs/dbraw/zinc/10/50/48/569105048.db2.gz QNINRNMDTMBDOZ-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(NCc3ccccc3)c3ccccc32)cc1Cl ZINC000065101778 569105917 /nfs/dbraw/zinc/10/59/17/569105917.db2.gz FRNCJIXKTGQJRD-UHFFFAOYSA-N 0 0 432.911 4.609 50 0 IJAARN COc1cccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)c1 ZINC000065102413 569106128 /nfs/dbraw/zinc/10/61/28/569106128.db2.gz RDJHDFRSKVPJKU-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN Cc1ccc(Oc2nccnc2SCC(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000065102765 569106237 /nfs/dbraw/zinc/10/62/37/569106237.db2.gz ZGCIZZVSMDSTCU-UHFFFAOYSA-N 0 0 448.592 4.635 50 0 IJAARN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)cc1 ZINC000065111240 569106312 /nfs/dbraw/zinc/10/63/12/569106312.db2.gz VJDHKFHGMDTTHN-QFIPXVFZSA-N 0 0 430.552 4.673 50 0 IJAARN COc1cc(NC(=O)CSc2nccnc2Oc2ccccc2C)c(OC)cc1Cl ZINC000065111130 569106316 /nfs/dbraw/zinc/10/63/16/569106316.db2.gz GFNLCAJXRWWWHU-UHFFFAOYSA-N 0 0 445.928 4.979 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000065116329 569107305 /nfs/dbraw/zinc/10/73/05/569107305.db2.gz BYDHPUFIKJCHKT-UHFFFAOYSA-N 0 0 427.526 4.588 50 0 IJAARN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000065116389 569107342 /nfs/dbraw/zinc/10/73/42/569107342.db2.gz MLFYIJKGRZCFAY-UHFFFAOYSA-N 0 0 433.917 4.625 50 0 IJAARN Cc1ccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@@H](C)C3)ncn2)c(Br)c1 ZINC000065133391 569109891 /nfs/dbraw/zinc/10/98/91/569109891.db2.gz MFOSKVSNFPPVEM-HUUCEWRRSA-N 0 0 449.418 4.761 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCc1ccc(F)cc1Cl ZINC000065136402 569110281 /nfs/dbraw/zinc/11/02/81/569110281.db2.gz MPTUTGBTCBPMBY-OAHLLOKOSA-N 0 0 435.902 4.959 50 0 IJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cc(Cl)c(OC)cc1OC)CC2 ZINC000065149046 569110938 /nfs/dbraw/zinc/11/09/38/569110938.db2.gz SOQAFYWFWHYZHJ-UHFFFAOYSA-N 0 0 443.931 4.549 50 0 IJAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc23)n1 ZINC000065154366 569112211 /nfs/dbraw/zinc/11/22/11/569112211.db2.gz OWVDNIXSBDWERA-UHFFFAOYSA-N 0 0 440.862 4.606 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc1 ZINC000065154002 569112215 /nfs/dbraw/zinc/11/22/15/569112215.db2.gz ZIZOCLOLKCJUNA-UHFFFAOYSA-N 0 0 442.450 4.774 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1)N1CCCCC1 ZINC000065179748 569113550 /nfs/dbraw/zinc/11/35/50/569113550.db2.gz JZCWGVSWHAUBGO-UHFFFAOYSA-N 0 0 442.506 4.522 50 0 IJAARN CCOc1cccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)c1 ZINC000065185542 569114267 /nfs/dbraw/zinc/11/42/67/569114267.db2.gz QHVTVJKHSADGPV-UHFFFAOYSA-N 0 0 427.258 4.539 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000065178607 569114520 /nfs/dbraw/zinc/11/45/20/569114520.db2.gz VKEPRSXOIQWGIC-SFHVURJKSA-N 0 0 426.944 4.507 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2)CC1 ZINC000065178913 569114590 /nfs/dbraw/zinc/11/45/90/569114590.db2.gz IDXYQJAROKSPMP-OAQYLSRUSA-N 0 0 426.601 4.756 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2)CC1 ZINC000065178916 569114605 /nfs/dbraw/zinc/11/46/05/569114605.db2.gz IDXYQJAROKSPMP-NRFANRHFSA-N 0 0 426.601 4.756 50 0 IJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)NCc1ccccc1C(F)(F)F ZINC000065194796 569114871 /nfs/dbraw/zinc/11/48/71/569114871.db2.gz OBHUHAAKDXISOD-UHFFFAOYSA-N 0 0 432.446 4.758 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cn1c(C)cc(-c2nnc(-c3ccc(F)cc3)o2)c1C ZINC000065194967 569115215 /nfs/dbraw/zinc/11/52/15/569115215.db2.gz ZOQBDAUBWBKHME-UHFFFAOYSA-N 0 0 434.471 4.917 50 0 IJAARN COc1cc(CC(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)cc(OC)c1 ZINC000065219370 569117188 /nfs/dbraw/zinc/11/71/88/569117188.db2.gz HBAUCEVZVBPDOQ-UHFFFAOYSA-N 0 0 439.468 4.803 50 0 IJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000065219124 569117359 /nfs/dbraw/zinc/11/73/59/569117359.db2.gz BHEGIBNNSQVSDX-UHFFFAOYSA-N 0 0 425.441 4.874 50 0 IJAARN Cc1oc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc1Cn1cccn1 ZINC000065232384 569119024 /nfs/dbraw/zinc/11/90/24/569119024.db2.gz DEVUOMDXWVXQMX-UHFFFAOYSA-N 0 0 437.297 4.910 50 0 IJAARN O=C(Cn1cncc(-c2nc(-c3cccs3)cs2)c1=O)Nc1ccc(F)cc1Cl ZINC000065232507 569119103 /nfs/dbraw/zinc/11/91/03/569119103.db2.gz QVTCADNBGCATIA-UHFFFAOYSA-N 0 0 446.916 4.527 50 0 IJAARN Cc1nc(-c2noc(-c3cccc(F)c3)n2)cn1CC(=O)Nc1cccc(Cl)c1C ZINC000065250456 569122121 /nfs/dbraw/zinc/12/21/21/569122121.db2.gz HHWULNVGYJOGKU-UHFFFAOYSA-N 0 0 425.851 4.648 50 0 IJAARN CCn1cc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)n1 ZINC000036615976 569122676 /nfs/dbraw/zinc/12/26/76/569122676.db2.gz XXGXZIQDGKSRML-HNNXBMFYSA-N 0 0 428.540 4.622 50 0 IJAARN Cc1ccn(-c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4Cc3ccccc3)cc2)n1 ZINC000036616065 569122780 /nfs/dbraw/zinc/12/27/80/569122780.db2.gz YSMNJXXVXMGLKQ-UHFFFAOYSA-N 0 0 436.519 4.843 50 0 IJAARN CC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C)c1ccc(OC)cc1 ZINC000036613380 569123843 /nfs/dbraw/zinc/12/38/43/569123843.db2.gz CHRYHCAAMHKHKQ-JOCHJYFZSA-N 0 0 444.535 4.842 50 0 IJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065258349 569124482 /nfs/dbraw/zinc/12/44/82/569124482.db2.gz OBONABWUSZUOOX-ZDUSSCGKSA-N 0 0 439.924 4.882 50 0 IJAARN CC(C)N1c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2Sc2ncccc2C1=O ZINC000065258582 569124546 /nfs/dbraw/zinc/12/45/46/569124546.db2.gz WVPDCFJYHIVUTD-UHFFFAOYSA-N 0 0 433.489 4.582 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)cc1 ZINC000065258548 569124550 /nfs/dbraw/zinc/12/45/50/569124550.db2.gz QPHWKQWVTKOGJP-UHFFFAOYSA-N 0 0 433.533 4.791 50 0 IJAARN CC(C)N1c2ccc(NC(=O)COc3ccc(F)cc3)cc2Sc2ncccc2C1=O ZINC000065258581 569124552 /nfs/dbraw/zinc/12/45/52/569124552.db2.gz RAPPPRFRRKKJBK-UHFFFAOYSA-N 0 0 437.496 4.758 50 0 IJAARN CCOC(=O)CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccc(C)cc1)CCCCC3 ZINC000036618864 569124613 /nfs/dbraw/zinc/12/46/13/569124613.db2.gz ZTEZOVAJHUYATM-JOCHJYFZSA-N 0 0 430.595 4.978 50 0 IJAARN Cc1ccccc1NC(=O)CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O ZINC000036621351 569126073 /nfs/dbraw/zinc/12/60/73/569126073.db2.gz JGAPOGOENGMPQU-UHFFFAOYSA-N 0 0 436.462 4.521 50 0 IJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccc(O)c1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524731682 569126592 /nfs/dbraw/zinc/12/65/92/569126592.db2.gz HHOCKYFWKJSYOZ-HSZRJFAPSA-N 0 0 429.520 4.593 50 0 biogenic IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)c4ccsc4)CC3)sc12 ZINC000065300244 569132249 /nfs/dbraw/zinc/13/22/49/569132249.db2.gz YNPSZJXOJGEZKK-UHFFFAOYSA-N 0 0 437.594 4.513 50 0 IJAARN COc1ccccc1NC(=O)Cc1nc(CNc2ccc(Br)cc2)cs1 ZINC000170082810 569137216 /nfs/dbraw/zinc/13/72/16/569137216.db2.gz NWEYCINCOKKZSX-UHFFFAOYSA-N 0 0 432.343 4.708 50 0 IJAARN CC[C@@H](NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1ccc(Br)cc1 ZINC000037117667 569140184 /nfs/dbraw/zinc/14/01/84/569140184.db2.gz DZLJUNKISDORGX-NHCUHLMSSA-N 0 0 427.342 4.981 50 0 IJAARN O=C(NCCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(C(F)(F)F)cc1 ZINC000037263788 569144079 /nfs/dbraw/zinc/14/40/79/569144079.db2.gz SAPMKEQMKJTUSC-UHFFFAOYSA-N 0 0 429.320 4.747 50 0 IJAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3ccccc3)CC2)cc1 ZINC000037276431 569145349 /nfs/dbraw/zinc/14/53/49/569145349.db2.gz SLOFQFXSTYLUNN-UHFFFAOYSA-N 0 0 441.575 4.578 50 0 IJAARN CCc1ccccc1NC(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1 ZINC000037284988 569145953 /nfs/dbraw/zinc/14/59/53/569145953.db2.gz PGSJDDKKVAXLFV-UHFFFAOYSA-N 0 0 437.931 4.839 50 0 IJAARN COc1ccc([C@H]2CC(c3ccsc3)=NN2C(=O)c2cccs2)c(OC)c1OC ZINC000170618987 569147462 /nfs/dbraw/zinc/14/74/62/569147462.db2.gz ANRPAYYIRNBZLQ-MRXNPFEDSA-N 0 0 428.535 4.827 50 0 IJAARN Cc1nc(-c2c[nH]c(C(=O)N3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)c2)cs1 ZINC000170626997 569148749 /nfs/dbraw/zinc/14/87/49/569148749.db2.gz AFNHZVJXPDNNAL-UHFFFAOYSA-N 0 0 433.455 4.599 50 0 IJAARN Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009870789 569149429 /nfs/dbraw/zinc/14/94/29/569149429.db2.gz AWPLUSJOLYMNKU-UHFFFAOYSA-N 0 0 440.912 4.578 50 0 IJAARN O=C(CNC(=O)c1ccccc1Nc1ccc(F)cc1)Nc1ccccc1Br ZINC000009882951 569149919 /nfs/dbraw/zinc/14/99/19/569149919.db2.gz SSIHBAIABCVBEF-UHFFFAOYSA-N 0 0 442.288 4.700 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009908986 569150616 /nfs/dbraw/zinc/15/06/16/569150616.db2.gz OOXKMQADNQPOKH-UHFFFAOYSA-N 0 0 439.544 4.663 50 0 IJAARN COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000010025944 569151649 /nfs/dbraw/zinc/15/16/49/569151649.db2.gz VGCDQIXFPOOODR-UHFFFAOYSA-N 0 0 429.925 4.947 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)c2ccccc2)n1C ZINC000010059048 569152107 /nfs/dbraw/zinc/15/21/07/569152107.db2.gz ZRDPWNPJSMZEGU-IBGZPJMESA-N 0 0 442.972 4.571 50 0 IJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3OC)C[C@@H]2c2ccccc2)cc1 ZINC000010060388 569152568 /nfs/dbraw/zinc/15/25/68/569152568.db2.gz HJBSSOIXXIZYPH-DHIUTWEWSA-N 0 0 440.503 4.677 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000010060488 569152573 /nfs/dbraw/zinc/15/25/73/569152573.db2.gz WJXFKQZTUPEXOJ-UHFFFAOYSA-N 0 0 438.534 4.594 50 0 IJAARN O=C(NC1CCCCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000010119411 569152702 /nfs/dbraw/zinc/15/27/02/569152702.db2.gz SAFWSXVLYJLHAC-UHFFFAOYSA-N 0 0 432.973 4.544 50 0 IJAARN Cc1ccc(Cl)c2sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc21 ZINC000010219001 569153589 /nfs/dbraw/zinc/15/35/89/569153589.db2.gz DKYMZDCAZBEQKN-UHFFFAOYSA-N 0 0 426.922 4.590 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000010218942 569153597 /nfs/dbraw/zinc/15/35/97/569153597.db2.gz WWSZXKHETLYUOJ-UHFFFAOYSA-N 0 0 437.496 4.562 50 0 IJAARN CC(C)N(C(=O)Cn1cc(SCC(=O)N2CCc3ccccc32)c2ccccc21)C(C)C ZINC000010459203 569154737 /nfs/dbraw/zinc/15/47/37/569154737.db2.gz KFISMTLOTQDYMG-UHFFFAOYSA-N 0 0 449.620 4.968 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000013708790 569156805 /nfs/dbraw/zinc/15/68/05/569156805.db2.gz RZASLCCEOFNQOS-UHFFFAOYSA-N 0 0 427.504 4.582 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000014368432 569158847 /nfs/dbraw/zinc/15/88/47/569158847.db2.gz ZYYCHKWXJVNIJN-UHFFFAOYSA-N 0 0 430.577 4.568 50 0 IJAARN CC(=O)N(c1nc(CN2CCCN(c3ccc(C)cc3)CC2)cs1)c1ccc(F)cc1 ZINC000089633434 569160206 /nfs/dbraw/zinc/16/02/06/569160206.db2.gz FFSSHBAKYSEQSL-UHFFFAOYSA-N 0 0 438.572 4.988 50 0 IJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000016840526 569163160 /nfs/dbraw/zinc/16/31/60/569163160.db2.gz PUHBRBXTJDEMDE-UHFFFAOYSA-N 0 0 436.512 4.590 50 0 IJAARN COc1cc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc(OC)c1OC ZINC000016841031 569163251 /nfs/dbraw/zinc/16/32/51/569163251.db2.gz SXXGSPZNAZXYSE-UHFFFAOYSA-N 0 0 434.901 4.752 50 0 IJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)cc1C ZINC000016845382 569163774 /nfs/dbraw/zinc/16/37/74/569163774.db2.gz IVEKRQYKZBGEBV-UHFFFAOYSA-N 0 0 445.338 4.546 50 0 IJAARN O=C(Cc1coc(-c2cccs2)n1)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000089800065 569165021 /nfs/dbraw/zinc/16/50/21/569165021.db2.gz LAQIWPHUGGNRJN-MRXNPFEDSA-N 0 0 442.541 4.546 50 0 IJAARN O=C(NC1(c2noc(C3CCCC3)n2)CCCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000089818844 569165216 /nfs/dbraw/zinc/16/52/16/569165216.db2.gz MTSTUWFNNFAWJJ-UHFFFAOYSA-N 0 0 442.526 4.667 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891092 569165651 /nfs/dbraw/zinc/16/56/51/569165651.db2.gz WOVOTASTWRZPLK-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(CSc1nc2ccccc2c2nc(-c3cccs3)nn21)NCc1cccc(F)c1 ZINC000089872977 569166410 /nfs/dbraw/zinc/16/64/10/569166410.db2.gz ZLQGDSOLNCVUBZ-UHFFFAOYSA-N 0 0 449.536 4.554 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c1 ZINC000017010950 569170352 /nfs/dbraw/zinc/17/03/52/569170352.db2.gz VSNPTVDJELCVEO-UHFFFAOYSA-N 0 0 436.581 4.798 50 0 IJAARN Cc1cc(C)cc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000017010718 569170379 /nfs/dbraw/zinc/17/03/79/569170379.db2.gz SWXHZXKFLGUAGQ-UHFFFAOYSA-N 0 0 446.482 4.577 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cccc(F)c3)c3ccccc23)cc1 ZINC000017041742 569171476 /nfs/dbraw/zinc/17/14/76/569171476.db2.gz HYUUXBNMILWBGN-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000017041016 569171517 /nfs/dbraw/zinc/17/15/17/569171517.db2.gz NSKWMUMWGNVIEX-UHFFFAOYSA-N 0 0 443.898 4.524 50 0 IJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4cccs4)[C@@H](C)C3)ncn2)c1 ZINC000037356532 569172180 /nfs/dbraw/zinc/17/21/80/569172180.db2.gz BKMSODITUJXLNR-HNNXBMFYSA-N 0 0 428.945 4.643 50 0 IJAARN Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)nc21 ZINC000017135825 569174480 /nfs/dbraw/zinc/17/44/80/569174480.db2.gz VCGVIXANMATSLQ-GASCZTMLSA-N 0 0 443.594 4.524 50 0 IJAARN O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000170634473 569175103 /nfs/dbraw/zinc/17/51/03/569175103.db2.gz KOEGAQISYQFUGA-HNNXBMFYSA-N 0 0 434.389 4.941 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1Cc1cccs1 ZINC000017192271 569175796 /nfs/dbraw/zinc/17/57/96/569175796.db2.gz VTVUWCYXJCJJTC-UHFFFAOYSA-N 0 0 432.530 4.849 50 0 IJAARN O=C(c1ccccc1)[C@@]12c3ccccc3N(c3ccccc3)[C@]1(c1ccccc1)NC(=O)C2=O ZINC000002077900 569177073 /nfs/dbraw/zinc/17/70/73/569177073.db2.gz IQRAQHOHYXVUSC-WDYNHAJCSA-N 0 0 444.490 4.511 50 0 IJAARN CCOC(=O)c1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(-c2ccccc2)n1 ZINC000002873087 569177608 /nfs/dbraw/zinc/17/76/08/569177608.db2.gz UPLMRVOVJVDPLL-UHFFFAOYSA-N 0 0 426.472 4.787 50 0 IJAARN CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C ZINC000002091762 569178730 /nfs/dbraw/zinc/17/87/30/569178730.db2.gz JAXYCCAROQZPCI-FQEVSTJZSA-N 0 0 437.492 4.800 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NC(=O)OCc3ccccc3)c12 ZINC000002091939 569178847 /nfs/dbraw/zinc/17/88/47/569178847.db2.gz SDHASOISXVTUKX-LJQANCHMSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(Cl)cc12 ZINC000002095249 569179120 /nfs/dbraw/zinc/17/91/20/569179120.db2.gz KXAHWHORCNIIEW-IBGZPJMESA-N 0 0 437.920 4.854 50 0 biogenic IJAARN Nc1c2c(nn1-c1ccccc1)nc(NCCc1ccccc1)nc2-c1cccc(F)c1F ZINC000037361481 569181583 /nfs/dbraw/zinc/18/15/83/569181583.db2.gz XIEHWDKVOYUMDG-UHFFFAOYSA-N 0 0 442.473 4.998 50 0 IJAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@H](C)c3ccccc3)CC(=O)N21 ZINC000002108437 569181673 /nfs/dbraw/zinc/18/16/73/569181673.db2.gz IQFIOUOQMISOIJ-ATVOGRQSSA-N 0 0 449.554 4.922 50 0 biogenic IJAARN O=C(c1cc2c3ccccc3[nH]c2c(-c2cccc(Br)c2)n1)N1CCOCC1 ZINC000002119981 569182779 /nfs/dbraw/zinc/18/27/79/569182779.db2.gz OGAVGOCFKJERIK-UHFFFAOYSA-N 0 0 436.309 4.618 50 0 biogenic IJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000207999113 569183799 /nfs/dbraw/zinc/18/37/99/569183799.db2.gz OGIGCHAFGJURRT-HSZRJFAPSA-N 0 0 439.515 4.884 50 0 IJAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000002148257 569187073 /nfs/dbraw/zinc/18/70/73/569187073.db2.gz NYFFMGQOJOHZLV-UHFFFAOYSA-N 0 0 428.488 4.929 50 0 biogenic IJAARN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(N[C@H]3CCN(C)C3=O)cc2)CC1 ZINC000252510593 569188606 /nfs/dbraw/zinc/18/86/06/569188606.db2.gz AMSKQXNRAOUFKZ-TZYHBYERSA-N 0 0 439.987 4.781 50 0 IJAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccccc2)S1 ZINC000002192162 569190607 /nfs/dbraw/zinc/19/06/07/569190607.db2.gz IZCMJEUFJOXAEO-QFIPXVFZSA-N 0 0 439.562 4.802 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@](F)(OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000002191897 569190608 /nfs/dbraw/zinc/19/06/08/569190608.db2.gz AOUGDTHIAQJZAK-SFHVURJKSA-N 0 0 433.423 4.967 50 0 IJAARN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000037384621 569192120 /nfs/dbraw/zinc/19/21/20/569192120.db2.gz OZQKYPBCEPLSOP-UHFFFAOYSA-N 0 0 432.480 4.503 50 0 IJAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc(-c4ccccc4)cc3)nc(=O)n1CC2 ZINC000002202677 569192675 /nfs/dbraw/zinc/19/26/75/569192675.db2.gz OTIQEYFDAJWBDZ-UHFFFAOYSA-N 0 0 426.472 4.943 50 0 IJAARN COCCNC(=O)[C@@H](c1ccccc1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396826 569192939 /nfs/dbraw/zinc/19/29/39/569192939.db2.gz FVPUTFMUFAJLMQ-XMMPIXPASA-N 0 0 433.939 4.633 50 0 IJAARN CCc1c(C)c(C(=O)NCCc2ccc(OC)c(OC)c2)n(Cc2cccc(F)c2)c1C ZINC000037397540 569193386 /nfs/dbraw/zinc/19/33/86/569193386.db2.gz ADMFPVVVIQTMAA-UHFFFAOYSA-N 0 0 438.543 4.844 50 0 IJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccc(F)cc1)C3=O ZINC000002208753 569194083 /nfs/dbraw/zinc/19/40/83/569194083.db2.gz QZCKMVDXXYCGKS-JOCHJYFZSA-N 0 0 429.447 5.000 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)C(C)C)nn32)cc1 ZINC000002209274 569194094 /nfs/dbraw/zinc/19/40/94/569194094.db2.gz JCCIPEXPRXLJRT-MOPGFXCFSA-N 0 0 425.920 4.681 50 0 IJAARN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(C(=O)Nc1ccccc1OC)C(C)C ZINC000037422378 569195577 /nfs/dbraw/zinc/19/55/77/569195577.db2.gz NBBTVZDHRYBVHX-UHFFFAOYSA-N 0 0 440.949 4.520 50 0 IJAARN CC[C@@H](C)NC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1 ZINC000037425763 569195621 /nfs/dbraw/zinc/19/56/21/569195621.db2.gz PRVRZFNFJIPDTD-OAHLLOKOSA-N 0 0 444.532 4.566 50 0 IJAARN O=C(CN1CCn2cccc2[C@H]1c1ccc(F)cc1F)NCc1cccc(C(F)(F)F)c1 ZINC000037425817 569195647 /nfs/dbraw/zinc/19/56/47/569195647.db2.gz HVPKSWXZCYEFFH-JOCHJYFZSA-N 0 0 449.423 4.507 50 0 IJAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)NC(C)(C)C ZINC000037425612 569195711 /nfs/dbraw/zinc/19/57/11/569195711.db2.gz PKEDFZOXPPBLNU-QFIPXVFZSA-N 0 0 445.007 4.539 50 0 IJAARN Cc1cccc(Nc2nc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)cs2)c1 ZINC000037427332 569195894 /nfs/dbraw/zinc/19/58/94/569195894.db2.gz DJHPQYVQWKQYOW-INIZCTEOSA-N 0 0 438.528 4.825 50 0 IJAARN CC(C)CNC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1 ZINC000037438036 569196384 /nfs/dbraw/zinc/19/63/84/569196384.db2.gz WKNODBIJJHQBLK-HNNXBMFYSA-N 0 0 441.384 4.570 50 0 IJAARN COCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000037440481 569196599 /nfs/dbraw/zinc/19/65/99/569196599.db2.gz HGRZAMCITQJWSQ-SFHVURJKSA-N 0 0 440.849 4.527 50 0 IJAARN CCNC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442070 569196987 /nfs/dbraw/zinc/19/69/87/569196987.db2.gz ZDBYZYODCGHLQI-OAHLLOKOSA-N 0 0 442.293 4.996 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000037443199 569197073 /nfs/dbraw/zinc/19/70/73/569197073.db2.gz FBHBYHSQZBNDRT-YLNUKYHNSA-N 0 0 427.614 4.945 50 0 IJAARN Cc1ccc(N2C(=O)c3nc4ccccc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000037444151 569197147 /nfs/dbraw/zinc/19/71/47/569197147.db2.gz FQGKJSCTQJZASV-LAKDJGHHSA-N 0 0 444.579 4.705 50 0 IJAARN C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)c1ccc(Br)cc1 ZINC000037521934 569198303 /nfs/dbraw/zinc/19/83/03/569198303.db2.gz OLFLIDNZZQLKCH-NSHDSACASA-N 0 0 442.140 4.633 50 0 IJAARN Cc1cccc(Cn2c(C(=O)NC[C@H]3CCCO3)cc3sc(Br)cc32)c1 ZINC000037543203 569199498 /nfs/dbraw/zinc/19/94/98/569199498.db2.gz LKECIPHUBIKKTN-OAHLLOKOSA-N 0 0 433.371 4.731 50 0 IJAARN Cc1ccc(C(=O)NCc2ccccc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000037554055 569200388 /nfs/dbraw/zinc/20/03/88/569200388.db2.gz NMFKHZSUCYHWMI-UHFFFAOYSA-N 0 0 447.966 4.993 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)C(C)(C)C)CC2 ZINC000037602191 569202356 /nfs/dbraw/zinc/20/23/56/569202356.db2.gz UENROFWBLNVCDF-UZUQRXQVSA-N 0 0 440.559 4.639 50 0 IJAARN CCCNC(=O)COc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037601386 569202453 /nfs/dbraw/zinc/20/24/53/569202453.db2.gz ZLPWFLBTXYQAMI-AREMUKBSSA-N 0 0 434.580 4.564 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NC(C)C)cc2[C@@H]1c1ccc(F)cc1 ZINC000037603557 569202613 /nfs/dbraw/zinc/20/26/13/569202613.db2.gz XTNZJXNZRQHVHC-CJAUYULYSA-N 0 0 440.559 4.638 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037603714 569202634 /nfs/dbraw/zinc/20/26/34/569202634.db2.gz KCUAXXYGIRZEBZ-DNQXCXABSA-N 0 0 440.559 4.638 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2)c(=O)n1-c1cccc(Cl)c1)CCC3 ZINC000002214541 569202831 /nfs/dbraw/zinc/20/28/31/569202831.db2.gz VNUYUGVENPRLKZ-UHFFFAOYSA-N 0 0 426.900 4.543 50 0 IJAARN CCN(CC)C(=O)COc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CC(C)C)CC2 ZINC000037604153 569202898 /nfs/dbraw/zinc/20/28/98/569202898.db2.gz KCIYIRJBFUMQPL-SANMLTNESA-N 0 0 440.559 4.593 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc21 ZINC000002220423 569204593 /nfs/dbraw/zinc/20/45/93/569204593.db2.gz YXTIYMDTUBDJAG-UHFFFAOYSA-N 0 0 448.523 4.910 50 0 IJAARN O=C(/C=C/c1cccc(Br)c1)Nc1ccccc1I ZINC000003549492 569211933 /nfs/dbraw/zinc/21/19/33/569211933.db2.gz DBJRQCVJHZMTIF-CMDGGOBGSA-N 0 0 428.067 4.706 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000002911325 569212850 /nfs/dbraw/zinc/21/28/50/569212850.db2.gz KXBOFKMGBSTLPM-UHFFFAOYSA-N 0 0 425.517 4.845 50 0 IJAARN O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc(Cl)cc1Cl ZINC000027470157 569213871 /nfs/dbraw/zinc/21/38/71/569213871.db2.gz ZEKPSHALOJUACM-AUWJEWJLSA-N 0 0 444.055 4.943 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000002247922 569214579 /nfs/dbraw/zinc/21/45/79/569214579.db2.gz ZALVKRPDIANHBK-IBGZPJMESA-N 0 0 448.500 4.633 50 0 IJAARN CCCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 ZINC000027496097 569215740 /nfs/dbraw/zinc/21/57/40/569215740.db2.gz BILZNLGPMWQOMT-UHFFFAOYSA-N 0 0 447.557 4.516 50 0 IJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002263676 569216018 /nfs/dbraw/zinc/21/60/18/569216018.db2.gz KDYGFVYJNDZNNA-UTKZUKDTSA-N 0 0 429.586 4.885 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000027499884 569216414 /nfs/dbraw/zinc/21/64/14/569216414.db2.gz BBYGJOJCSDDDLW-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC(C)(C)OC3 ZINC000002254575 569216658 /nfs/dbraw/zinc/21/66/58/569216658.db2.gz WQTSVSQJXCWHHU-UHFFFAOYSA-N 0 0 440.594 4.838 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002256076 569216891 /nfs/dbraw/zinc/21/68/91/569216891.db2.gz SQVNKXFYOTVTGO-HXUWFJFHSA-N 0 0 448.500 4.797 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000027521295 569218385 /nfs/dbraw/zinc/21/83/85/569218385.db2.gz ZSAULULFJHEEAI-UHFFFAOYSA-N 0 0 434.487 4.802 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)[nH]c(=O)c2c1C ZINC000029884904 569257549 /nfs/dbraw/zinc/25/75/49/569257549.db2.gz NWXZEAOFKIRIOY-XFJVYGCCSA-N 0 0 445.610 4.598 50 0 IJAARN COC(=O)C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000036372072 569257744 /nfs/dbraw/zinc/25/77/44/569257744.db2.gz CDAUSDISIHTTHK-GINPPBHVSA-N 0 0 446.584 4.746 50 0 IJAARN COc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccccc2)cc1 ZINC000002280997 569263126 /nfs/dbraw/zinc/26/31/26/569263126.db2.gz KCVMWFQHOPKQFT-HSZRJFAPSA-N 0 0 428.492 4.548 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(C(C)C)cc2)cc1OC ZINC000027532127 569266364 /nfs/dbraw/zinc/26/63/64/569266364.db2.gz PIPCDBCXIAVKQO-UHFFFAOYSA-N 0 0 429.520 4.948 50 0 IJAARN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)Cc3c[nH]c4ccc(F)cc34)c2F)C1 ZINC000253416527 569266482 /nfs/dbraw/zinc/26/64/82/569266482.db2.gz IMHYFZNOPSCUTH-UHFFFAOYSA-N 0 0 441.478 4.921 50 0 IJAARN CC(C)(CO)[C@@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1cccs1 ZINC000253425587 569267225 /nfs/dbraw/zinc/26/72/25/569267225.db2.gz UXQMEXUEJJJMFV-SFHVURJKSA-N 0 0 440.034 4.836 50 0 IJAARN c1ccc(Cn2c(CSc3nc4ccccc4s3)nnc2SC2COC2)cc1 ZINC000253426022 569267244 /nfs/dbraw/zinc/26/72/44/569267244.db2.gz LQNFOIWRAAXKGM-UHFFFAOYSA-N 0 0 426.592 4.719 50 0 IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(c2ccco2)=NN1C(C)=O ZINC000253433172 569269341 /nfs/dbraw/zinc/26/93/41/569269341.db2.gz SUQSMLGKIWDLBO-QFIPXVFZSA-N 0 0 426.476 4.839 50 0 IJAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002300970 569271463 /nfs/dbraw/zinc/27/14/63/569271463.db2.gz RXEMZLBWKKZXLN-UHFFFAOYSA-N 0 0 443.526 4.974 50 0 IJAARN CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 ZINC000002305203 569271702 /nfs/dbraw/zinc/27/17/02/569271702.db2.gz AAPYMXCJIZILDF-UHFFFAOYSA-N 0 0 425.554 4.533 50 0 IJAARN COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002322790 569274138 /nfs/dbraw/zinc/27/41/38/569274138.db2.gz JFVJSYGTSHAJNU-INIZCTEOSA-N 0 0 437.201 4.560 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@H]3CSCN3[C@@]23c2ccccc2NC3=O)cc1 ZINC000002324962 569274308 /nfs/dbraw/zinc/27/43/08/569274308.db2.gz FGIYHNXMIJHZJO-INADMSBESA-N 0 0 440.568 4.814 50 0 IJAARN Cc1ccc(Cl)cc1-n1ncc2c3nc(-c4cc5ccccc5cc4O)nn3cnc21 ZINC000002327822 569274409 /nfs/dbraw/zinc/27/44/09/569274409.db2.gz IZRJAAGAKADBQE-UHFFFAOYSA-N 0 0 426.867 4.951 50 0 IJAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2O)c1 ZINC000002343815 569275314 /nfs/dbraw/zinc/27/53/14/569275314.db2.gz JIQFUESKBQULAO-UHFFFAOYSA-N 0 0 433.439 4.950 50 0 IJAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1OC ZINC000002343889 569275364 /nfs/dbraw/zinc/27/53/64/569275364.db2.gz XICDHUKYRLTMOC-UHFFFAOYSA-N 0 0 429.476 4.695 50 0 IJAARN CCOC(=O)[C@@H]1C[C@@]2(CC[C@@H]3[C@H]4CC=C5C=C(OC)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000253499504 569283416 /nfs/dbraw/zinc/28/34/16/569283416.db2.gz ISJDXRXJTVVHGY-BOFFOEFUSA-N 0 0 428.569 4.954 50 0 biogenic IJAARN C[C@H](CCC(=O)NC1CC1)[C@@H]1CC[C@@H]2[C@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O ZINC000253535774 569284177 /nfs/dbraw/zinc/28/41/77/569284177.db2.gz DYVCWIDNNCVUOG-AMCMWJBBSA-N 0 0 431.661 4.672 50 0 IJAARN COc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002368808 569288816 /nfs/dbraw/zinc/28/88/16/569288816.db2.gz YVASFIMVQVEVJA-UHFFFAOYSA-N 0 0 437.931 4.594 50 0 IJAARN CCCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O ZINC000002371390 569288963 /nfs/dbraw/zinc/28/89/63/569288963.db2.gz HOZRFHPUHNUQTQ-XMHGGMMESA-N 0 0 425.941 4.588 50 0 IJAARN COc1ccc(NC(=O)N[C@@H](COC(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000008888221 569291936 /nfs/dbraw/zinc/29/19/36/569291936.db2.gz BLCHWOUYSUPBNM-QFIPXVFZSA-N 0 0 435.480 4.815 50 0 IJAARN COc1ccc(OC)c([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000002383223 569293701 /nfs/dbraw/zinc/29/37/01/569293701.db2.gz DOFHKWMKGXFOFC-WVXBCFDCSA-N 0 0 433.485 4.714 50 0 IJAARN COc1cc(/C=C/C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc2c1OCCO2 ZINC000009245197 569294656 /nfs/dbraw/zinc/29/46/56/569294656.db2.gz WVFXAJOJCPEWGS-LQPWBEKMSA-N 0 0 425.481 4.586 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000002397732 569298574 /nfs/dbraw/zinc/29/85/74/569298574.db2.gz FYPAQGZRZPIDJL-UHFFFAOYSA-N 0 0 429.977 4.649 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002398657 569298652 /nfs/dbraw/zinc/29/86/52/569298652.db2.gz AXVWZPWXGPHYEG-RBUKOAKNSA-N 0 0 425.920 4.681 50 0 IJAARN CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 ZINC000002399728 569298940 /nfs/dbraw/zinc/29/89/40/569298940.db2.gz MFCCBVCSTFTHBN-UHFFFAOYSA-N 0 0 425.437 4.521 50 0 biogenic IJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1OC ZINC000002404368 569299986 /nfs/dbraw/zinc/29/99/86/569299986.db2.gz OZVLFUBIKPRKRW-OAQYLSRUSA-N 0 0 448.862 4.608 50 0 IJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC)s2)c1 ZINC000002415967 569301531 /nfs/dbraw/zinc/30/15/31/569301531.db2.gz PNBQEQWHOSILCL-HXUWFJFHSA-N 0 0 447.516 4.664 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000002418227 569301619 /nfs/dbraw/zinc/30/16/19/569301619.db2.gz YSKHOXNIMBDHCH-HSZRJFAPSA-N 0 0 447.437 4.868 50 0 IJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 ZINC000002428335 569302782 /nfs/dbraw/zinc/30/27/82/569302782.db2.gz DWUVKDQBLKAGLM-IBGZPJMESA-N 0 0 435.480 4.732 50 0 IJAARN CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002434153 569303530 /nfs/dbraw/zinc/30/35/30/569303530.db2.gz HJFSCZPWWMHGED-QRWLVFNGSA-N 0 0 441.936 4.893 50 0 IJAARN CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002437577 569303938 /nfs/dbraw/zinc/30/39/38/569303938.db2.gz CERJWKQGJPADFY-INIZCTEOSA-N 0 0 430.556 4.530 50 0 IJAARN CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002438115 569303955 /nfs/dbraw/zinc/30/39/55/569303955.db2.gz XJUXEFPGGBNUFE-QFIPXVFZSA-N 0 0 449.503 4.672 50 0 IJAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1CCCc1ccccc1 ZINC000002448167 569304595 /nfs/dbraw/zinc/30/45/95/569304595.db2.gz GPZQSGOEEPHTAI-UHFFFAOYSA-N 0 0 441.560 4.791 50 0 IJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)nn2)n1 ZINC000013009674 569306577 /nfs/dbraw/zinc/30/65/77/569306577.db2.gz QZUCKNYWMOESFG-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1nc(-c2ccccc2C)no1 ZINC000013038184 569307788 /nfs/dbraw/zinc/30/77/88/569307788.db2.gz PZVHUYQTVVDQSE-UHFFFAOYSA-N 0 0 436.899 4.917 50 0 IJAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1N1CCCCCC1 ZINC000013042463 569308297 /nfs/dbraw/zinc/30/82/97/569308297.db2.gz WLJMETXTEXMPMX-UHFFFAOYSA-N 0 0 439.943 4.735 50 0 IJAARN Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013074427 569309079 /nfs/dbraw/zinc/30/90/79/569309079.db2.gz APDAGNQRMGBONW-IBGZPJMESA-N 0 0 430.504 4.590 50 0 IJAARN COc1ccc(CN(C)c2nc(C)nc3sc4c(c32)CCCCC4)c(OC)c1OC ZINC000013075574 569309191 /nfs/dbraw/zinc/30/91/91/569309191.db2.gz OGBZVQHPYHVQBX-UHFFFAOYSA-N 0 0 427.570 4.931 50 0 IJAARN CCCCOc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(OC)cc2OC)cc1OCC ZINC000013075932 569309239 /nfs/dbraw/zinc/30/92/39/569309239.db2.gz JOCNQFKUAJCGIQ-MRXNPFEDSA-N 0 0 430.497 4.710 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)n1Cc1ccccc1Cl ZINC000013075958 569309282 /nfs/dbraw/zinc/30/92/82/569309282.db2.gz GXXLECOHWTYCDH-UFRUDQCGSA-N 0 0 441.955 4.928 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1)c1ccccc1 ZINC000013351841 569313323 /nfs/dbraw/zinc/31/33/23/569313323.db2.gz YPPNXUAWLGYLSK-UHFFFAOYSA-N 0 0 447.579 4.630 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC(C(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000013354568 569313458 /nfs/dbraw/zinc/31/34/58/569313458.db2.gz XBKPRWDZBYRTPM-UHFFFAOYSA-N 0 0 434.565 4.679 50 0 IJAARN CCc1ccccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 ZINC000013359638 569313828 /nfs/dbraw/zinc/31/38/28/569313828.db2.gz QHZSIIASUIJZPJ-UHFFFAOYSA-N 0 0 435.549 4.953 50 0 IJAARN O=C(NCCc1ccccc1)c1nnc([C@@H](Nc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000013364327 569314244 /nfs/dbraw/zinc/31/42/44/569314244.db2.gz HYJYODFFHRRXFT-NRFANRHFSA-N 0 0 432.911 4.897 50 0 IJAARN C[C@H](CCc1ccco1)NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366400 569314355 /nfs/dbraw/zinc/31/43/55/569314355.db2.gz YVRPBCMXICWAEE-DVECYGJZSA-N 0 0 448.588 4.675 50 0 IJAARN Cc1nn2c(nc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2=O)s1 ZINC000013367888 569314497 /nfs/dbraw/zinc/31/44/97/569314497.db2.gz NPGYAINAUVMSMU-UHFFFAOYSA-N 0 0 448.548 4.588 50 0 IJAARN O=C(NCc1cn2cc(Br)ccc2n1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000078648451 569316721 /nfs/dbraw/zinc/31/67/21/569316721.db2.gz USYNCXNIDHWLLX-GJZGRUSLSA-N 0 0 438.247 4.536 50 0 IJAARN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000078939329 569320329 /nfs/dbraw/zinc/32/03/29/569320329.db2.gz MDQNHNJCGXAWKP-PBHICJAKSA-N 0 0 439.394 4.536 50 0 IJAARN CN1c2cc(F)ccc2N(Cc2ncc(-c3ccccc3Br)o2)CCC1=O ZINC000078969306 569320896 /nfs/dbraw/zinc/32/08/96/569320896.db2.gz STIYMXPLDCWZHW-UHFFFAOYSA-N 0 0 430.277 4.616 50 0 IJAARN COC(=O)Cc1ccccc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000078974704 569321155 /nfs/dbraw/zinc/32/11/55/569321155.db2.gz XTZKPGRTUFNVAR-UHFFFAOYSA-N 0 0 442.519 4.955 50 0 IJAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000079015186 569321970 /nfs/dbraw/zinc/32/19/70/569321970.db2.gz JQKZUZKOWJICLJ-GGAORHGYSA-N 0 0 444.547 4.997 50 0 IJAARN CCCN(CCC)C(=O)c1ccc(NC(=O)NCCC[C@](C)(CC)C2OCCO2)cc1 ZINC000079015160 569321985 /nfs/dbraw/zinc/32/19/85/569321985.db2.gz RWIOEDUUIVSUBM-DEOSSOPVSA-N 0 0 433.593 4.640 50 0 IJAARN Cc1cccc(-n2c(SC3CCS(=O)(=O)CC3)nnc2-c2ccc(Cl)cc2)c1 ZINC000079058240 569323787 /nfs/dbraw/zinc/32/37/87/569323787.db2.gz BOODGAGYYXPTJA-UHFFFAOYSA-N 0 0 433.986 4.565 50 0 IJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1cccnc1)CC(=O)O3 ZINC000079193380 569328209 /nfs/dbraw/zinc/32/82/09/569328209.db2.gz NQPLFOMDCWKAHF-MNOABWKSSA-N 0 0 449.503 4.710 50 0 IJAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccc(Br)cc4)n3)cc2NC1=O ZINC000019796553 569329531 /nfs/dbraw/zinc/32/95/31/569329531.db2.gz AQVBIMYKOBRJJK-JTQLQIEISA-N 0 0 444.310 4.544 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)cc1 ZINC000019855332 569330455 /nfs/dbraw/zinc/33/04/55/569330455.db2.gz YGXGBMBPFQGPDX-UHFFFAOYSA-N 0 0 426.520 4.691 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3F)nn2[C@@H]1c1ccc(F)cc1 ZINC000020133894 569335583 /nfs/dbraw/zinc/33/55/83/569335583.db2.gz FWZSAMCZIPLBFD-LJQANCHMSA-N 0 0 442.491 4.701 50 0 IJAARN CCOC(=O)CSC1=N/C(=C\c2ccccc2F)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152010 569336466 /nfs/dbraw/zinc/33/64/66/569336466.db2.gz MCLVHIGQHWBCRG-YVLHZVERSA-N 0 0 448.903 4.528 50 0 IJAARN CCOc1ccc(/C=C2/N=C(SC)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC ZINC000020152146 569336636 /nfs/dbraw/zinc/33/66/36/569336636.db2.gz FAJAYLDXXDJKOH-MHWRWJLKSA-N 0 0 432.929 4.863 50 0 IJAARN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000020154107 569353568 /nfs/dbraw/zinc/35/35/68/569353568.db2.gz JTQYDODXLMMPFF-DNQXCXABSA-N 0 0 427.479 4.867 50 0 IJAARN Cc1ccc(C(=O)N2CCC(c3noc(-c4cc(-c5cccs5)[nH]n4)n3)CC2)s1 ZINC000390828624 569354038 /nfs/dbraw/zinc/35/40/38/569354038.db2.gz SJBLQKJFWVFYMA-UHFFFAOYSA-N 0 0 425.539 4.578 50 0 IJAARN CCOC(=O)C=C1N[C@]2(C)CCCC[C@@H]2[C@]12C=C(C)[C@H](c1cc(C)ccc1OC)CC2=O ZINC000390835471 569354554 /nfs/dbraw/zinc/35/45/54/569354554.db2.gz WQVSDWDDNOWAJV-CIIHLGDKSA-N 0 0 437.580 4.992 50 0 IJAARN CCCC1=Nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2Sc2ccccc21 ZINC000020178862 569354638 /nfs/dbraw/zinc/35/46/38/569354638.db2.gz NJBIVQSZKJCZOT-UHFFFAOYSA-N 0 0 437.565 4.986 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21 ZINC000020180874 569355212 /nfs/dbraw/zinc/35/52/12/569355212.db2.gz IRYYOMUCTRSPEY-ILELFARHSA-N 0 0 442.918 4.941 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCc2ccccc21 ZINC000020181233 569355314 /nfs/dbraw/zinc/35/53/14/569355314.db2.gz GZLNXMIXYBUDJR-HAHDFKILSA-N 0 0 430.504 4.895 50 0 IJAARN COc1ccc(CNC(=O)CSCc2nc(-c3ccc(SC)cc3)oc2C)cc1 ZINC000020241223 569357952 /nfs/dbraw/zinc/35/79/52/569357952.db2.gz DYTUKIDSADHMSG-UHFFFAOYSA-N 0 0 428.579 4.930 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000020280087 569358622 /nfs/dbraw/zinc/35/86/22/569358622.db2.gz FXMJMESIKKQZOA-UHFFFAOYSA-N 0 0 438.484 4.730 50 0 IJAARN COc1cccc(/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020285549 569359072 /nfs/dbraw/zinc/35/90/72/569359072.db2.gz NGWCWRRXDICOQJ-IZHYLOQSSA-N 0 0 435.501 4.824 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288875 569359319 /nfs/dbraw/zinc/35/93/19/569359319.db2.gz DCVOMSOFFQCGOX-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC[C@H](C)C3)c2c1 ZINC000020381557 569362682 /nfs/dbraw/zinc/36/26/82/569362682.db2.gz JIAXTVOTLIYPRM-HNNXBMFYSA-N 0 0 430.957 4.966 50 0 IJAARN C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)[C@H](O)c1ccc(Br)cc1 ZINC000095389982 569363453 /nfs/dbraw/zinc/36/34/53/569363453.db2.gz QIXALUGVHRCDFW-VLIAUNLRSA-N 0 0 435.325 4.988 50 0 IJAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000095397048 569363532 /nfs/dbraw/zinc/36/35/32/569363532.db2.gz UNFATYKLKHBGBO-SFHVURJKSA-N 0 0 429.528 4.571 50 0 IJAARN N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1F)c2=O ZINC000020411578 569363938 /nfs/dbraw/zinc/36/39/38/569363938.db2.gz RMUHLGNISUGGFC-JOCHJYFZSA-N 0 0 442.446 4.556 50 0 biogenic IJAARN CCc1cccc(C)c1NC(=O)Cn1ncc2c(C)n(Cc3ccc(F)cc3)c(C)c2c1=O ZINC000020417328 569364934 /nfs/dbraw/zinc/36/49/34/569364934.db2.gz RCLMBDBRKSIRGX-UHFFFAOYSA-N 0 0 446.526 4.512 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2OC)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020439071 569365700 /nfs/dbraw/zinc/36/57/00/569365700.db2.gz FGNUVNUABUDCHF-NKFKGCMQSA-N 0 0 445.563 4.843 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000095449942 569367765 /nfs/dbraw/zinc/36/77/65/569367765.db2.gz LSEHVSPTTKTPLA-XUZZJYLKSA-N 0 0 447.579 4.931 50 0 IJAARN CN(OCc1ccccc1)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000095455259 569368572 /nfs/dbraw/zinc/36/85/72/569368572.db2.gz WHZFAZAHKJXQNL-UHFFFAOYSA-N 0 0 446.576 4.759 50 0 IJAARN O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000095455863 569368671 /nfs/dbraw/zinc/36/86/71/569368671.db2.gz OOECSKZFFVGRPU-GMAHTHKFSA-N 0 0 447.535 4.714 50 0 IJAARN COCc1nnc(-c2cccc(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)c2)o1 ZINC000095463623 569370297 /nfs/dbraw/zinc/37/02/97/569370297.db2.gz VKGPTFJBCBTOAY-UHFFFAOYSA-N 0 0 433.439 4.744 50 0 IJAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N(C)c3ccc(F)c(Cl)c3)cc2)c1C ZINC000095463721 569370303 /nfs/dbraw/zinc/37/03/03/569370303.db2.gz LXQKDSABARRANB-UHFFFAOYSA-N 0 0 443.906 4.664 50 0 IJAARN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095463367 569370306 /nfs/dbraw/zinc/37/03/06/569370306.db2.gz AVOQADXXNHMXAQ-AVRWGWEMSA-N 0 0 448.538 4.724 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1csc(-c2ccccn2)n1 ZINC000095467880 569371177 /nfs/dbraw/zinc/37/11/77/569371177.db2.gz FCCRHNOACGDRKS-UHFFFAOYSA-N 0 0 429.914 4.639 50 0 IJAARN COC(=O)C[C@H](c1oc(CSc2ccc(Br)cc2)cc(=O)c1O)C(C)C ZINC000095480738 569373923 /nfs/dbraw/zinc/37/39/23/569373923.db2.gz ZDTNFDYBDIEYNY-HNNXBMFYSA-N 0 0 441.343 4.703 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)c1cccs1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000095945747 569375919 /nfs/dbraw/zinc/37/59/19/569375919.db2.gz LSSNAPOWCLFDNR-UHFFFAOYSA-N 0 0 441.468 4.524 50 0 IJAARN O=c1nc(CN2CCN(c3cccc(Cl)c3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000095949724 569376536 /nfs/dbraw/zinc/37/65/36/569376536.db2.gz ROOYEORHIDCFTL-UHFFFAOYSA-N 0 0 442.997 4.689 50 0 IJAARN O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000095953834 569376864 /nfs/dbraw/zinc/37/68/64/569376864.db2.gz MJEZNMIOCCMIBI-WBVHZDCISA-N 0 0 437.842 4.697 50 0 IJAARN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cc(N3CCOC3=O)ccc2F)C(C)(C)O1 ZINC000095991727 569378345 /nfs/dbraw/zinc/37/83/45/569378345.db2.gz SPAKVRQOOSQPAK-NRFANRHFSA-N 0 0 440.515 4.771 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3ncoc3-c3ccccc3Cl)C[C@@H]21 ZINC000096010148 569379662 /nfs/dbraw/zinc/37/96/62/569379662.db2.gz RUXMDDWLXWICLG-UWWQBHOKSA-N 0 0 445.947 4.760 50 0 IJAARN Cc1cc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)c(Cl)cc1Cl ZINC000096024878 569380611 /nfs/dbraw/zinc/38/06/11/569380611.db2.gz XHMFDRXEPPQOIF-UHFFFAOYSA-N 0 0 435.760 4.582 50 0 IJAARN O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)C1c2ccccc2Oc2ccccc21 ZINC000096103754 569382133 /nfs/dbraw/zinc/38/21/33/569382133.db2.gz HGUQAKPRKKVJFX-UHFFFAOYSA-N 0 0 427.426 4.833 50 0 IJAARN O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccccc1Br ZINC000096119633 569384665 /nfs/dbraw/zinc/38/46/65/569384665.db2.gz PGVCCZBJNURFQH-UHFFFAOYSA-N 0 0 435.281 4.737 50 0 IJAARN COc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1Br ZINC000096122530 569385294 /nfs/dbraw/zinc/38/52/94/569385294.db2.gz UOVGGGNAJDSMFV-UHFFFAOYSA-N 0 0 441.325 4.894 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1)c1ccccc1Cl ZINC000096275997 569388421 /nfs/dbraw/zinc/38/84/21/569388421.db2.gz DXTMKSWIAXTIMQ-LJQANCHMSA-N 0 0 447.878 4.833 50 0 IJAARN COc1ccc(-n2c(SCc3ccccc3C(N)=O)nnc2-c2ccc(C)cc2)cc1 ZINC000096289363 569390659 /nfs/dbraw/zinc/39/06/59/569390659.db2.gz OUYYUXDIKJYHJX-UHFFFAOYSA-N 0 0 430.533 4.643 50 0 IJAARN CCCN1c2ccc(NC(=O)c3ccccc3Cl)cc2S(=O)(=O)N=C1c1ccoc1 ZINC000096293432 569391496 /nfs/dbraw/zinc/39/14/96/569391496.db2.gz GGSFKWBTSZNWKL-UHFFFAOYSA-N 0 0 443.912 4.551 50 0 IJAARN CCNC(=O)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)CC(C)C ZINC000096294684 569391896 /nfs/dbraw/zinc/39/18/96/569391896.db2.gz IMAWYYLNXNEYEQ-UHFFFAOYSA-N 0 0 438.977 4.604 50 0 IJAARN COc1cccc(/C=C\C(=O)NC2(c3ccc(Br)cc3)CC2)c1OC(F)F ZINC000096297964 569391920 /nfs/dbraw/zinc/39/19/20/569391920.db2.gz JGHUUFOQQABKTQ-YHYXMXQVSA-N 0 0 438.268 4.878 50 0 IJAARN COc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc32)c(OC)cc1C ZINC000096305708 569392165 /nfs/dbraw/zinc/39/21/65/569392165.db2.gz WJEUMSCHQJHPGV-UHFFFAOYSA-N 0 0 428.293 4.635 50 0 IJAARN Cc1ccc(Cc2c(C)nc(CC(C)C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000096317285 569393397 /nfs/dbraw/zinc/39/33/97/569393397.db2.gz BYTYXJCZBOUDPM-UHFFFAOYSA-N 0 0 437.632 4.513 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)c3cc4ccccc4[nH]3)s2)cc1 ZINC000096321795 569394198 /nfs/dbraw/zinc/39/41/98/569394198.db2.gz XAVSQJKHVBYWQB-IBGZPJMESA-N 0 0 431.521 4.557 50 0 IJAARN Cc1ccccc1-c1noc(Cn2ccn3nc(-c4cccc5ccccc54)cc3c2=O)n1 ZINC000096322292 569394471 /nfs/dbraw/zinc/39/44/71/569394471.db2.gz FJGJXJIFOZAPOX-UHFFFAOYSA-N 0 0 433.471 4.723 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(-c2nc(-c3ccccc3C)no2)o1 ZINC000096322732 569394905 /nfs/dbraw/zinc/39/49/05/569394905.db2.gz NVAYXWXOZZDHCP-UHFFFAOYSA-N 0 0 444.896 4.941 50 0 IJAARN COc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4cc(C)c(C)cc4C)o3)n2)c1 ZINC000096322798 569394927 /nfs/dbraw/zinc/39/49/27/569394927.db2.gz XIHBABFONPJYHC-UHFFFAOYSA-N 0 0 438.505 4.904 50 0 IJAARN CCOc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(C)cc5)nn43)C2)cc1 ZINC000096323856 569395585 /nfs/dbraw/zinc/39/55/85/569395585.db2.gz LNSBLOUXNHTXPF-UHFFFAOYSA-N 0 0 433.537 4.755 50 0 IJAARN COc1cc(OC)cc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)c1 ZINC000096324400 569395835 /nfs/dbraw/zinc/39/58/35/569395835.db2.gz ZICCBNNNDOESAJ-UHFFFAOYSA-N 0 0 443.434 4.864 50 0 IJAARN COc1cccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000096335964 569396610 /nfs/dbraw/zinc/39/66/10/569396610.db2.gz YWQCCTCTBDBCCY-NZQKXSOJSA-N 0 0 447.874 4.987 50 0 IJAARN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000096344481 569397048 /nfs/dbraw/zinc/39/70/48/569397048.db2.gz DTYGJULLSSENKW-XMMPIXPASA-N 0 0 434.580 4.910 50 0 IJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1cc(F)ccc1Cl ZINC000096349888 569397346 /nfs/dbraw/zinc/39/73/46/569397346.db2.gz TWNBWNKINORZLQ-UHFFFAOYSA-N 0 0 433.270 4.979 50 0 IJAARN O=C(Nc1cccc(-c2nccnc2N2CCSCC2)c1)Nc1ccc(F)cc1F ZINC000096386640 569398611 /nfs/dbraw/zinc/39/86/11/569398611.db2.gz NPCVCLZSYJQTFN-UHFFFAOYSA-N 0 0 427.480 4.619 50 0 IJAARN COc1cccc(-c2cc(C3CCN(C(=O)c4ccccc4Br)CC3)[nH]n2)c1 ZINC000096386774 569398614 /nfs/dbraw/zinc/39/86/14/569398614.db2.gz FHEOETJSHZVCFI-UHFFFAOYSA-N 0 0 440.341 4.868 50 0 IJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)c2ccccc2)c1 ZINC000096481256 569400920 /nfs/dbraw/zinc/40/09/20/569400920.db2.gz KTULAXJIIUVFON-LJQANCHMSA-N 0 0 445.519 4.970 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1NN=C2N=C(Nc3ccccc3)N=C(Nc3ccccc3)N21 ZINC000096562590 569401175 /nfs/dbraw/zinc/40/11/75/569401175.db2.gz PKURFRUBDPTDSB-JOCHJYFZSA-N 0 0 434.507 4.601 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000096576606 569401423 /nfs/dbraw/zinc/40/14/23/569401423.db2.gz LDGNQEUGZQBGGJ-UHFFFAOYSA-N 0 0 432.501 4.902 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000334163028 569402269 /nfs/dbraw/zinc/40/22/69/569402269.db2.gz URITVCCCYLDGIM-UHFFFAOYSA-N 0 0 426.538 4.785 50 0 IJAARN COc1ccc(C2=N/C(=C/c3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)C(=O)O2)cc1 ZINC000096935609 569402633 /nfs/dbraw/zinc/40/26/33/569402633.db2.gz VIBWISLNMLZDFW-CIAFOILYSA-N 0 0 447.516 4.798 50 0 IJAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472338 569404259 /nfs/dbraw/zinc/40/42/59/569404259.db2.gz CKWHKYRMUDBNNS-BJKOFHAPSA-N 0 0 441.535 4.984 50 0 IJAARN O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH]n1 ZINC000225561827 569404502 /nfs/dbraw/zinc/40/45/02/569404502.db2.gz MBUACINQWSSCOS-UHFFFAOYSA-N 0 0 444.869 4.613 50 0 IJAARN C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)CCCC2)s1 ZINC000225684246 569406898 /nfs/dbraw/zinc/40/68/98/569406898.db2.gz LASLSOXEOPHZRK-CYBMUJFWSA-N 0 0 433.517 4.611 50 0 IJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)ccc12 ZINC000002618073 569410454 /nfs/dbraw/zinc/41/04/54/569410454.db2.gz PNBORNLOYGWJJO-UHFFFAOYSA-N 0 0 429.428 4.661 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3cccc(C)c3)s2)cc1 ZINC000002632581 569412516 /nfs/dbraw/zinc/41/25/16/569412516.db2.gz BQZHKIPHDAEAQE-ZDUSSCGKSA-N 0 0 427.555 4.668 50 0 IJAARN CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000028606588 569414418 /nfs/dbraw/zinc/41/44/18/569414418.db2.gz IKYJRSZYKXODDY-UHFFFAOYSA-N 0 0 436.562 4.579 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 ZINC000002648040 569414428 /nfs/dbraw/zinc/41/44/28/569414428.db2.gz ZAGMJXTWXWQYKQ-WOJBJXKFSA-N 0 0 444.531 4.598 50 0 IJAARN NC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000002655500 569415445 /nfs/dbraw/zinc/41/54/45/569415445.db2.gz YRTHDUZAJWSOEL-UHFFFAOYSA-N 0 0 429.501 4.838 50 0 IJAARN COc1ccc(OCCCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000002656714 569415527 /nfs/dbraw/zinc/41/55/27/569415527.db2.gz OFXBYIUQPCTPSE-UHFFFAOYSA-N 0 0 433.530 4.776 50 0 IJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(Cl)cc1 ZINC000002689870 569416831 /nfs/dbraw/zinc/41/68/31/569416831.db2.gz GVAGDBABIZNGHP-UHFFFAOYSA-N 0 0 446.890 4.533 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1C ZINC000002717854 569417942 /nfs/dbraw/zinc/41/79/42/569417942.db2.gz WJHFPMFLZANBNI-UHFFFAOYSA-N 0 0 439.928 4.522 50 0 IJAARN CCn1cc(C2N=NC(=S)N2c2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cn1 ZINC000002731162 569419451 /nfs/dbraw/zinc/41/94/51/569419451.db2.gz QJSAEFXNRBURID-UHFFFAOYSA-N 0 0 448.383 4.608 50 0 IJAARN CC(C)(C)NC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000002756339 569420380 /nfs/dbraw/zinc/42/03/80/569420380.db2.gz KNLMOLHONGBGMW-ZIAGYGMSSA-N 0 0 445.283 4.834 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@H]4C)c3n2)cc1 ZINC000002770269 569420757 /nfs/dbraw/zinc/42/07/57/569420757.db2.gz BPXJYXRVHSRVNC-CQSZACIVSA-N 0 0 434.446 4.934 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)c1 ZINC000002915247 569425064 /nfs/dbraw/zinc/42/50/64/569425064.db2.gz TYZHQMGJOCTEAY-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN Cc1cc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2nccs2)ccc1Cl ZINC000002925123 569425486 /nfs/dbraw/zinc/42/54/86/569425486.db2.gz CLEPIBUOMVBXAX-UHFFFAOYSA-N 0 0 448.982 4.596 50 0 IJAARN O=C(Nn1c(=O)c2sccc2nc1SCc1ccc(F)cc1Cl)c1ccccc1 ZINC000002925525 569425653 /nfs/dbraw/zinc/42/56/53/569425653.db2.gz DIXJSJNVDHJWAC-UHFFFAOYSA-N 0 0 445.928 4.927 50 0 IJAARN COc1ccc(-n2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3c2=O)cc1 ZINC000002937495 569426295 /nfs/dbraw/zinc/42/62/95/569426295.db2.gz ZSZBAHZXFAXPLB-UHFFFAOYSA-N 0 0 427.485 4.861 50 0 IJAARN COc1ccc(NC(=O)c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OC ZINC000002938052 569426422 /nfs/dbraw/zinc/42/64/22/569426422.db2.gz ZPZRFOCFBYZNSE-UHFFFAOYSA-N 0 0 428.488 4.877 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000057265533 569430319 /nfs/dbraw/zinc/43/03/19/569430319.db2.gz UFNCYDNLJWPEHX-UHFFFAOYSA-N 0 0 448.910 4.883 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000057338468 569431329 /nfs/dbraw/zinc/43/13/29/569431329.db2.gz NDDMPTKTGCGVJG-SANMLTNESA-N 0 0 445.563 4.919 50 0 IJAARN CC(C)C[C@@H]1CC(=O)N([C@]2(C(=O)NC3CCCC3)CC[C@@H]3Cc4ccccc4C[C@H]3C2)C1 ZINC000254756992 569431787 /nfs/dbraw/zinc/43/17/87/569431787.db2.gz QXIPICBQAYJCPL-IGGVYQGESA-N 0 0 436.640 4.894 50 0 IJAARN Cc1nc2ccccc2c(=O)n1CCC(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000029778488 569432741 /nfs/dbraw/zinc/43/27/41/569432741.db2.gz YTFJNHROZITPRF-UHFFFAOYSA-N 0 0 446.890 4.585 50 0 IJAARN CCc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(C)C)C(=O)N32)cc1 ZINC000002964507 569432856 /nfs/dbraw/zinc/43/28/56/569432856.db2.gz LUKOLRUOQLJZSS-HXUWFJFHSA-N 0 0 434.565 4.626 50 0 IJAARN CC[C@@H](Sc1nc2ccccc2c2nc(-c3ccccc3)nn21)C(=O)NCc1ccco1 ZINC000002969027 569433162 /nfs/dbraw/zinc/43/31/62/569433162.db2.gz QORWRDKXOHRZOK-HXUWFJFHSA-N 0 0 443.532 4.725 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NC1CCCCC1 ZINC000002969948 569433254 /nfs/dbraw/zinc/43/32/54/569433254.db2.gz CRQNTAPEPYUPOJ-UHFFFAOYSA-N 0 0 425.598 4.828 50 0 IJAARN O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1Cc1ccc2c(c1)OCO2 ZINC000002970025 569433305 /nfs/dbraw/zinc/43/33/05/569433305.db2.gz TYBABPCGHQTACQ-UHFFFAOYSA-N 0 0 438.455 4.744 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1C[C@@H]1COc2ccccc2O1 ZINC000002971153 569433403 /nfs/dbraw/zinc/43/34/03/569433403.db2.gz ZPRCGTFKVOBNRM-QGZVFWFLSA-N 0 0 434.492 4.668 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)c(C)c1 ZINC000057428640 569434949 /nfs/dbraw/zinc/43/49/49/569434949.db2.gz QSIOTFXOXRVXSK-OAHLLOKOSA-N 0 0 445.585 4.778 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000003007780 569435220 /nfs/dbraw/zinc/43/52/20/569435220.db2.gz YLUGGUBBGSVPFQ-WBVHZDCISA-N 0 0 432.923 4.888 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000003023733 569436111 /nfs/dbraw/zinc/43/61/11/569436111.db2.gz NWENZDFYPMCSBQ-AWEZNQCLSA-N 0 0 442.915 4.824 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000003023736 569436123 /nfs/dbraw/zinc/43/61/23/569436123.db2.gz NWENZDFYPMCSBQ-CQSZACIVSA-N 0 0 442.915 4.824 50 0 IJAARN COc1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1OC ZINC000057486359 569436429 /nfs/dbraw/zinc/43/64/29/569436429.db2.gz SMFRLXRAWOXAIY-UHFFFAOYSA-N 0 0 445.338 4.898 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1Cl ZINC000057486776 569436546 /nfs/dbraw/zinc/43/65/46/569436546.db2.gz QOBZQRWVRCQIFL-UHFFFAOYSA-N 0 0 427.291 4.828 50 0 IJAARN C[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1 ZINC000057486922 569436573 /nfs/dbraw/zinc/43/65/73/569436573.db2.gz XNPXFVKIXZWZAF-ZDUSSCGKSA-N 0 0 447.308 4.508 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)Nc1ccccc1 ZINC000057486908 569436577 /nfs/dbraw/zinc/43/65/77/569436577.db2.gz LMTXPMRLBYRLJD-UHFFFAOYSA-N 0 0 441.260 4.745 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)NCCC1=CCCCC1 ZINC000057487508 569436795 /nfs/dbraw/zinc/43/67/95/569436795.db2.gz AJNZPBUFJHFGEW-UHFFFAOYSA-N 0 0 443.569 4.685 50 0 IJAARN Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c1 ZINC000057487564 569436808 /nfs/dbraw/zinc/43/68/08/569436808.db2.gz DVKSCRLXMOFHDN-UHFFFAOYSA-N 0 0 439.537 4.650 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)NCc1ccccc1 ZINC000057487728 569436853 /nfs/dbraw/zinc/43/68/53/569436853.db2.gz DNNSYFCLUFOGSA-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000057488211 569436871 /nfs/dbraw/zinc/43/68/71/569436871.db2.gz KPVSWATYWVHNNF-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 ZINC000057487913 569436880 /nfs/dbraw/zinc/43/68/80/569436880.db2.gz JDZIYZHCUANORH-UHFFFAOYSA-N 0 0 436.002 4.841 50 0 IJAARN Cc1cc(C)cc(-n2c(SCC(=O)N(C)c3ccccc3)nc3ccsc3c2=O)c1 ZINC000057488271 569436923 /nfs/dbraw/zinc/43/69/23/569436923.db2.gz GXDKRYJEZKPCOH-UHFFFAOYSA-N 0 0 435.574 4.819 50 0 IJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3nc2SCC(=O)N2CCc3ccccc32)c1 ZINC000057488321 569436926 /nfs/dbraw/zinc/43/69/26/569436926.db2.gz CIKJWNOZOSIQSJ-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000057488391 569436963 /nfs/dbraw/zinc/43/69/63/569436963.db2.gz BZNRFLDEMIPXLA-HUUCEWRRSA-N 0 0 441.622 4.661 50 0 IJAARN CCOc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F ZINC000003031348 569437736 /nfs/dbraw/zinc/43/77/36/569437736.db2.gz HUODEAFHRUTKOK-UHFFFAOYSA-N 0 0 448.560 4.502 50 0 IJAARN Cc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1ccc(F)cc1Cl ZINC000003033447 569437886 /nfs/dbraw/zinc/43/78/86/569437886.db2.gz BMNMOXIXRYLLDY-UHFFFAOYSA-N 0 0 440.881 4.799 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4ccccc4F)c(C)n3n2)cc1C ZINC000003037371 569438009 /nfs/dbraw/zinc/43/80/09/569438009.db2.gz YJERHJSAGLORBY-UHFFFAOYSA-N 0 0 449.555 4.819 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2cccc(Br)c2)N1C1CCCCC1 ZINC000003040455 569438422 /nfs/dbraw/zinc/43/84/22/569438422.db2.gz OHJDUEFROIFLDV-OAQYLSRUSA-N 0 0 433.390 4.826 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000003040800 569438438 /nfs/dbraw/zinc/43/84/38/569438438.db2.gz DILSNNCENPQLDN-FQEVSTJZSA-N 0 0 444.556 4.907 50 0 IJAARN Cc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1cccc(Br)c1 ZINC000003045417 569438642 /nfs/dbraw/zinc/43/86/42/569438642.db2.gz HFXFDHULOQQDOI-UHFFFAOYSA-N 0 0 441.373 4.762 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CCc2ccccc2C1 ZINC000003047121 569438696 /nfs/dbraw/zinc/43/86/96/569438696.db2.gz HXJAUIFLRNDDFZ-JLPGSUDCSA-N 0 0 426.541 4.751 50 0 IJAARN C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000003049823 569438920 /nfs/dbraw/zinc/43/89/20/569438920.db2.gz BMXGUAHDZCUOCS-HNNXBMFYSA-N 0 0 435.886 4.690 50 0 IJAARN CC(C)CCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccccc21 ZINC000057524049 569439078 /nfs/dbraw/zinc/43/90/78/569439078.db2.gz YBVSDMXWSLHQHY-UHFFFAOYSA-N 0 0 437.569 4.692 50 0 IJAARN COC(=O)c1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c1 ZINC000057529695 569439210 /nfs/dbraw/zinc/43/92/10/569439210.db2.gz ORWDVZQMXYAGML-FQEVSTJZSA-N 0 0 443.459 4.602 50 0 IJAARN O=C(NCCSCc1ccccc1)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003051793 569439306 /nfs/dbraw/zinc/43/93/06/569439306.db2.gz MZGLBQHVIWEXHS-UHFFFAOYSA-N 0 0 447.585 4.711 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(c3ccccc3F)=NCC2=O)cc1C ZINC000003059906 569439498 /nfs/dbraw/zinc/43/94/98/569439498.db2.gz NWSWQKNRQSFGNX-UHFFFAOYSA-N 0 0 449.913 4.919 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nnc2ccccn21 ZINC000057563817 569439844 /nfs/dbraw/zinc/43/98/44/569439844.db2.gz ZUTSAUTUXXXQRE-MRXNPFEDSA-N 0 0 426.929 4.867 50 0 IJAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)CCc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003137262 569440776 /nfs/dbraw/zinc/44/07/76/569440776.db2.gz YCCOXIALRITVQR-QGZVFWFLSA-N 0 0 444.815 4.727 50 0 IJAARN Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000003136424 569440801 /nfs/dbraw/zinc/44/08/01/569440801.db2.gz SSGFBFOABAHLEO-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181489 569441014 /nfs/dbraw/zinc/44/10/14/569441014.db2.gz SOLGXZRUUOZGCG-UHFFFAOYSA-N 0 0 448.519 4.619 50 0 IJAARN COc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc2c1=O ZINC000003229010 569442235 /nfs/dbraw/zinc/44/22/35/569442235.db2.gz SGJJDHMXWIYAAN-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NCc1ccco1 ZINC000003234994 569442403 /nfs/dbraw/zinc/44/24/03/569442403.db2.gz JKEXFOMRZLTXTQ-UHFFFAOYSA-N 0 0 434.879 4.930 50 0 IJAARN O=C(c1cncc(Br)c1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000030450474 569442569 /nfs/dbraw/zinc/44/25/69/569442569.db2.gz YZKFIVRSPMQEEV-UHFFFAOYSA-N 0 0 442.382 4.531 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3ccccc3[S@@](C)=O)ccc2OC(F)F)cc1 ZINC000057892393 569442578 /nfs/dbraw/zinc/44/25/78/569442578.db2.gz IYIBPFFETAIWFD-PMERELPUSA-N 0 0 431.460 4.953 50 0 IJAARN O=C(COC(=O)c1ccc(Br)o1)Nc1ccccc1Sc1ccccc1 ZINC000003241877 569442619 /nfs/dbraw/zinc/44/26/19/569442619.db2.gz BLDRULQBUMWSNF-UHFFFAOYSA-N 0 0 432.295 4.989 50 0 IJAARN COc1cccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000003244102 569442672 /nfs/dbraw/zinc/44/26/72/569442672.db2.gz SAPZXUUZYFKHGG-UHFFFAOYSA-N 0 0 445.397 4.648 50 0 IJAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccccc1F ZINC000003255951 569443090 /nfs/dbraw/zinc/44/30/90/569443090.db2.gz PCRHXUHBLOWWON-UHFFFAOYSA-N 0 0 433.361 4.779 50 0 IJAARN COc1ccc(NC(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000003267785 569443499 /nfs/dbraw/zinc/44/34/99/569443499.db2.gz AWGPCGSTBBMEDT-UHFFFAOYSA-N 0 0 427.439 4.556 50 0 IJAARN CCOC(=O)c1c(NC(=O)CNc2cccc(C(F)(F)F)c2)sc2c1CCCC2 ZINC000003273114 569443590 /nfs/dbraw/zinc/44/35/90/569443590.db2.gz YURVSWWWWVEVGQ-UHFFFAOYSA-N 0 0 426.460 4.873 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003274239 569443660 /nfs/dbraw/zinc/44/36/60/569443660.db2.gz HIXFADKTNBHNNE-VIFPVBQESA-N 0 0 442.759 4.957 50 0 IJAARN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)cc1 ZINC000003278692 569443817 /nfs/dbraw/zinc/44/38/17/569443817.db2.gz QHIGDCUUZLQUTE-KRWDZBQOSA-N 0 0 445.548 4.879 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000003284404 569443999 /nfs/dbraw/zinc/44/39/99/569443999.db2.gz NKVKYRCFSRVRGV-UHFFFAOYSA-N 0 0 432.501 4.677 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000003287002 569444106 /nfs/dbraw/zinc/44/41/06/569444106.db2.gz ZSJMWVUJYMAQIC-UHFFFAOYSA-N 0 0 439.471 4.537 50 0 IJAARN Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003286373 569444121 /nfs/dbraw/zinc/44/41/21/569444121.db2.gz VWMMHEOVFZHQEO-KRWDZBQOSA-N 0 0 431.521 4.882 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccc(C)cc2)cc1 ZINC000003286416 569444136 /nfs/dbraw/zinc/44/41/36/569444136.db2.gz JNNUXVQGBDLPMT-UHFFFAOYSA-N 0 0 448.548 4.643 50 0 IJAARN COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000003290423 569444384 /nfs/dbraw/zinc/44/43/84/569444384.db2.gz HWPRBFCXODLCLP-LJQANCHMSA-N 0 0 440.590 4.938 50 0 IJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1 ZINC000058005081 569444570 /nfs/dbraw/zinc/44/45/70/569444570.db2.gz XFFVKLQKZUPCIU-OAHLLOKOSA-N 0 0 449.532 4.616 50 0 IJAARN Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2ccccc2)cc1C ZINC000003303747 569445119 /nfs/dbraw/zinc/44/51/19/569445119.db2.gz BRNUSGGLEFBVMP-UHFFFAOYSA-N 0 0 445.573 4.913 50 0 IJAARN CC(C)(C)c1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003306375 569445213 /nfs/dbraw/zinc/44/52/13/569445213.db2.gz SWPZRPRIXCRKQW-UHFFFAOYSA-N 0 0 445.592 4.764 50 0 IJAARN O=C(OCc1ccc(OCc2ccccn2)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000058051481 569446178 /nfs/dbraw/zinc/44/61/78/569446178.db2.gz NHJGUIFGZKFDIE-UHFFFAOYSA-N 0 0 425.488 4.692 50 0 IJAARN COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000058065592 569446503 /nfs/dbraw/zinc/44/65/03/569446503.db2.gz IFTLTODWRNSNCU-UHFFFAOYSA-N 0 0 428.964 4.693 50 0 IJAARN CC(C)n1cnnc1SCC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000058084975 569446912 /nfs/dbraw/zinc/44/69/12/569446912.db2.gz FSFOQPYJMNAXKC-UHFFFAOYSA-N 0 0 444.948 4.887 50 0 IJAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1C ZINC000003355574 569447566 /nfs/dbraw/zinc/44/75/66/569447566.db2.gz SYKREAJKKUUPHP-QGZVFWFLSA-N 0 0 433.504 4.976 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2)cc1 ZINC000003354695 569447600 /nfs/dbraw/zinc/44/76/00/569447600.db2.gz GCWHRTJPSZXURG-UHFFFAOYSA-N 0 0 437.927 4.671 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000003369215 569448249 /nfs/dbraw/zinc/44/82/49/569448249.db2.gz GHSNYXBRGAFJMJ-MRXNPFEDSA-N 0 0 431.608 4.508 50 0 IJAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000058139127 569448473 /nfs/dbraw/zinc/44/84/73/569448473.db2.gz LUWLPDWWRPAXOH-UHFFFAOYSA-N 0 0 432.273 4.773 50 0 IJAARN COC(=O)c1ccc(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000003376531 569448645 /nfs/dbraw/zinc/44/86/45/569448645.db2.gz GYPMUCHWKGEILY-CQSZACIVSA-N 0 0 430.961 4.622 50 0 IJAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc(=O)oc2c1 ZINC000003380958 569448810 /nfs/dbraw/zinc/44/88/10/569448810.db2.gz YAUNUTDLSUKWAC-CYBMUJFWSA-N 0 0 441.505 4.905 50 0 IJAARN COc1cc(CN(C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)ccc1OC(F)F ZINC000003387703 569449035 /nfs/dbraw/zinc/44/90/35/569449035.db2.gz MESQSUSBEQDJMW-UHFFFAOYSA-N 0 0 449.310 4.872 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 ZINC000003388661 569449070 /nfs/dbraw/zinc/44/90/70/569449070.db2.gz UJPINDMXRLXBOI-IBGZPJMESA-N 0 0 439.903 4.927 50 0 IJAARN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000058162023 569449330 /nfs/dbraw/zinc/44/93/30/569449330.db2.gz IDTJJSZDQQDCQJ-UHFFFAOYSA-N 0 0 447.498 4.603 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003405718 569449879 /nfs/dbraw/zinc/44/98/79/569449879.db2.gz CPEYXWHHHIBXDP-UHFFFAOYSA-N 0 0 447.516 4.907 50 0 IJAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)s2)cc1 ZINC000003405429 569449894 /nfs/dbraw/zinc/44/98/94/569449894.db2.gz CDWDUXQHDPSJQC-UHFFFAOYSA-N 0 0 427.555 4.533 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1C ZINC000003426635 569450584 /nfs/dbraw/zinc/45/05/84/569450584.db2.gz KVDWVBXBMAWHRR-UHFFFAOYSA-N 0 0 430.353 4.689 50 0 IJAARN Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3c(Cl)cc(Cl)cc3Cl)nc2n1 ZINC000003431005 569450802 /nfs/dbraw/zinc/45/08/02/569450802.db2.gz CRIQQIYSFCGMQB-VIFPVBQESA-N 0 0 430.748 4.821 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2Cl)cc1 ZINC000003430444 569450849 /nfs/dbraw/zinc/45/08/49/569450849.db2.gz QBHVLSHOYNMVLY-UHFFFAOYSA-N 0 0 442.972 4.701 50 0 IJAARN Cc1ccc(C)c(-n2c(S[C@H]3CCOC3=O)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000003505123 569452911 /nfs/dbraw/zinc/45/29/11/569452911.db2.gz PYDMFPVHDFNMSJ-GUYCJALGSA-N 0 0 440.590 4.596 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c(OC)c1 ZINC000003521593 569453205 /nfs/dbraw/zinc/45/32/05/569453205.db2.gz MWUCPPJGRMFHPL-UHFFFAOYSA-N 0 0 446.532 4.630 50 0 IJAARN COc1cccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)c1 ZINC000003565068 569454061 /nfs/dbraw/zinc/45/40/61/569454061.db2.gz YJLCLSJDEBPYPD-UHFFFAOYSA-N 0 0 425.941 4.946 50 0 IJAARN COc1ncccc1NC(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c21 ZINC000058413315 569454330 /nfs/dbraw/zinc/45/43/30/569454330.db2.gz ULDWPDKAMMXOBJ-UHFFFAOYSA-N 0 0 428.370 4.873 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccn3)nc3ccccc31)CC2 ZINC000031205304 569454796 /nfs/dbraw/zinc/45/47/96/569454796.db2.gz FWVBFIACMKANFD-UHFFFAOYSA-N 0 0 425.488 4.513 50 0 biogenic IJAARN Cc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(CN2CCC(C)CC2)C3=O)cc1C ZINC000003638941 569455478 /nfs/dbraw/zinc/45/54/78/569455478.db2.gz UEZYBTFBHMCMEP-RXFWQSSRSA-N 0 0 449.620 4.661 50 0 IJAARN CCc1ccc(S(=O)(=O)N(C(=O)C2CCCCC2)c2ccc3oc(=O)sc3c2)cc1 ZINC000003654038 569455761 /nfs/dbraw/zinc/45/57/61/569455761.db2.gz RHLKLQSQLPLJQC-UHFFFAOYSA-N 0 0 445.562 4.719 50 0 IJAARN CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003654207 569455770 /nfs/dbraw/zinc/45/57/70/569455770.db2.gz YSCCRFGRNHBWMC-UHFFFAOYSA-N 0 0 446.333 4.539 50 0 IJAARN CCOc1ccccc1N(C)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003661021 569455926 /nfs/dbraw/zinc/45/59/26/569455926.db2.gz GCRHREFWHNCPOH-LOSJGSFVSA-N 0 0 444.531 4.667 50 0 IJAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 ZINC000031632188 569456916 /nfs/dbraw/zinc/45/69/16/569456916.db2.gz MDBRGTDDAWXHMI-RUZDIDTESA-N 0 0 443.528 4.592 50 0 IJAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1noc(-c2ccsc2)n1 ZINC000031626616 569456926 /nfs/dbraw/zinc/45/69/26/569456926.db2.gz SCRBZLJEDJDAQX-UHFFFAOYSA-N 0 0 426.910 4.938 50 0 IJAARN CN(CCOc1ccc(Cl)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O ZINC000031732590 569457167 /nfs/dbraw/zinc/45/71/67/569457167.db2.gz AFGSABMXKWVMIH-UHFFFAOYSA-N 0 0 425.941 4.747 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Oc2ccccc2NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000004064314 569458499 /nfs/dbraw/zinc/45/84/99/569458499.db2.gz DZRJJMXYKYCXJM-UHFFFAOYSA-N 0 0 434.517 4.764 50 0 IJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)C[C@@H](OC(C)=O)[C@H]32)C1 ZINC000004082217 569458727 /nfs/dbraw/zinc/45/87/27/569458727.db2.gz MUKWHGGWGASXHY-BKLLOIHQSA-N 0 0 432.601 4.954 50 0 biogenic IJAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1 ZINC000032070998 569459160 /nfs/dbraw/zinc/45/91/60/569459160.db2.gz OLVDALHCAUZZDF-AWEZNQCLSA-N 0 0 427.892 4.545 50 0 IJAARN CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 ZINC000032074546 569459358 /nfs/dbraw/zinc/45/93/58/569459358.db2.gz DNEABVONPUNGLD-QGZVFWFLSA-N 0 0 426.929 4.756 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1OCCc1ccccc1)CC(=O)N2 ZINC000032097400 569459971 /nfs/dbraw/zinc/45/99/71/569459971.db2.gz JZZXPABIVAWAEN-HXUWFJFHSA-N 0 0 425.492 4.716 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000004123009 569460036 /nfs/dbraw/zinc/46/00/36/569460036.db2.gz DMVTUCLHARITCL-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN CC(C)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)C1=O ZINC000032102267 569460161 /nfs/dbraw/zinc/46/01/61/569460161.db2.gz SMOLFNGWDIGKSM-XMMPIXPASA-N 0 0 434.927 4.865 50 0 IJAARN CC(=O)N1N=C(c2ccncc2)O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008382959 569462681 /nfs/dbraw/zinc/46/26/81/569462681.db2.gz NBDHTFQPSSTETP-DEOSSOPVSA-N 0 0 443.894 4.827 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1C ZINC000038486867 569462861 /nfs/dbraw/zinc/46/28/61/569462861.db2.gz PHYXFZTWQRSXTF-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(-n2ccnc2)n1 ZINC000038488275 569463034 /nfs/dbraw/zinc/46/30/34/569463034.db2.gz XHMUUZOEAIADPR-UHFFFAOYSA-N 0 0 438.413 4.985 50 0 IJAARN O=C(c1ccccc1Br)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038518888 569463138 /nfs/dbraw/zinc/46/31/38/569463138.db2.gz UPIHARAOBIZYIA-UHFFFAOYSA-N 0 0 430.277 4.658 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N(C)C1CCCCC1 ZINC000067209175 569464799 /nfs/dbraw/zinc/46/47/99/569464799.db2.gz RSSULIMQTUEZLL-UHFFFAOYSA-N 0 0 427.595 4.639 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C ZINC000067209120 569464801 /nfs/dbraw/zinc/46/48/01/569464801.db2.gz HKSBRMCSGZPUSK-UHFFFAOYSA-N 0 0 449.601 4.896 50 0 IJAARN O=C(NN1c2ccccc2CCc2ccccc21)c1cccc(I)c1 ZINC000008453873 569465133 /nfs/dbraw/zinc/46/51/33/569465133.db2.gz WWMIYCYEDRPHIY-UHFFFAOYSA-N 0 0 440.284 4.873 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000067236307 569465360 /nfs/dbraw/zinc/46/53/60/569465360.db2.gz WPNDVVYCFRPXKP-UHFFFAOYSA-N 0 0 436.537 4.529 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)c(C)c1 ZINC000067235753 569465381 /nfs/dbraw/zinc/46/53/81/569465381.db2.gz ZPVCCJWIASFNIA-UHFFFAOYSA-N 0 0 434.927 4.619 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3F)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236765 569465436 /nfs/dbraw/zinc/46/54/36/569465436.db2.gz AMOQYAWRAPDPIB-UHFFFAOYSA-N 0 0 442.903 4.546 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3Cl)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236895 569465509 /nfs/dbraw/zinc/46/55/09/569465509.db2.gz AVHIBGYPGIYBEF-UHFFFAOYSA-N 0 0 442.903 4.546 50 0 IJAARN CN(c1ccsc1C(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245595 569465895 /nfs/dbraw/zinc/46/58/95/569465895.db2.gz PDYQWMROLCQDNS-UHFFFAOYSA-N 0 0 439.002 4.847 50 0 IJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2cc(F)cc(F)c2)c1 ZINC000067258641 569466150 /nfs/dbraw/zinc/46/61/50/569466150.db2.gz NTWRRBMLZCWEAN-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067293082 569467813 /nfs/dbraw/zinc/46/78/13/569467813.db2.gz ZNZSONRWKAABOH-ZLXSMEDCSA-N 0 0 447.318 4.889 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(C)cc3Cl)oc21 ZINC000067294109 569467874 /nfs/dbraw/zinc/46/78/74/569467874.db2.gz AONPJYNFEVTQOS-BTAOAOQOSA-N 0 0 426.900 4.544 50 0 IJAARN COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1Cl ZINC000067298225 569468119 /nfs/dbraw/zinc/46/81/19/569468119.db2.gz YXLYPNRWWWXWOP-NMWGTECJSA-N 0 0 427.869 4.742 50 0 IJAARN C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008716100 569471044 /nfs/dbraw/zinc/47/10/44/569471044.db2.gz QFXYYLLMNJOADX-HOTGVXAUSA-N 0 0 446.528 4.970 50 0 IJAARN Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000008719145 569471360 /nfs/dbraw/zinc/47/13/60/569471360.db2.gz OVQIOYLMSIVNJY-UHFFFAOYSA-N 0 0 442.368 4.514 50 0 IJAARN Cc1ccc(-n2ccnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1C ZINC000008719986 569471546 /nfs/dbraw/zinc/47/15/46/569471546.db2.gz MQWILTKVFYPMOC-LJQANCHMSA-N 0 0 431.565 4.644 50 0 IJAARN Fc1cccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2N2CCOCC2)c1 ZINC000008721251 569471703 /nfs/dbraw/zinc/47/17/03/569471703.db2.gz YRKJXAZVTWXSPH-UHFFFAOYSA-N 0 0 438.450 4.554 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCc1ccccc1 ZINC000008750166 569473335 /nfs/dbraw/zinc/47/33/35/569473335.db2.gz KCADPZZCEFKTAA-UHFFFAOYSA-N 0 0 449.963 4.507 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)no1 ZINC000008750309 569473359 /nfs/dbraw/zinc/47/33/59/569473359.db2.gz NCOQYCFEPRXCDF-UHFFFAOYSA-N 0 0 443.891 4.754 50 0 IJAARN COc1ccc(-c2cc(NC(=O)COc3ccc(C(C)=O)cc3OC)ccc2OC)cc1 ZINC000008751213 569473401 /nfs/dbraw/zinc/47/34/01/569473401.db2.gz QDVLBQWGCPOIHM-UHFFFAOYSA-N 0 0 435.476 4.600 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccccc4Br)o3)cc21 ZINC000008750953 569473436 /nfs/dbraw/zinc/47/34/36/569473436.db2.gz LPXDEYDZLDXKJB-SNVBAGLBSA-N 0 0 444.310 4.530 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 ZINC000008758505 569474179 /nfs/dbraw/zinc/47/41/79/569474179.db2.gz LWOPWGABLDFYIE-FQEVSTJZSA-N 0 0 441.531 4.931 50 0 IJAARN Cc1occc1-c1nc2s/c(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2n1 ZINC000008763593 569474442 /nfs/dbraw/zinc/47/44/42/569474442.db2.gz WZHVJLZEUIOVKE-YVLHZVERSA-N 0 0 443.406 4.546 50 0 IJAARN COc1cccc(CCNC(=O)c2sc(NC(=O)Nc3cccc(Cl)c3)nc2C)c1 ZINC000008772009 569475256 /nfs/dbraw/zinc/47/52/56/569475256.db2.gz SZDMDYVJAIUBJW-UHFFFAOYSA-N 0 0 444.944 4.730 50 0 IJAARN CCCCCCc1c(C(=O)OC)nnn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000008781845 569475680 /nfs/dbraw/zinc/47/56/80/569475680.db2.gz ZABQZJNQRIKYGA-UHFFFAOYSA-N 0 0 433.434 4.653 50 0 IJAARN Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000008782580 569475812 /nfs/dbraw/zinc/47/58/12/569475812.db2.gz MELBOSULZJVFQR-UHFFFAOYSA-N 0 0 441.413 4.889 50 0 IJAARN COc1ccc(CN2C[C@@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008786961 569475893 /nfs/dbraw/zinc/47/58/93/569475893.db2.gz NXERRXWHPVJMPI-IRXDYDNUSA-N 0 0 444.362 4.755 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008790719 569476131 /nfs/dbraw/zinc/47/61/31/569476131.db2.gz SOWNFUYKOJOTFG-STNVRERYSA-N 0 0 449.554 4.775 50 0 biogenic IJAARN COC(=O)c1ccc(COc2ccc3cc(-c4cc(OC)ccc4OC)c(=O)oc3c2)cc1 ZINC000008791046 569476148 /nfs/dbraw/zinc/47/61/48/569476148.db2.gz BRVGMMLTLXJHHB-UHFFFAOYSA-N 0 0 446.455 4.843 50 0 biogenic IJAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(cc3oc2=O)oc2c4CCCC2)cc1 ZINC000008791700 569476273 /nfs/dbraw/zinc/47/62/73/569476273.db2.gz UHNRCKUNXPNJLY-UHFFFAOYSA-N 0 0 431.488 4.594 50 0 biogenic IJAARN Cc1ccc(N=C2NN=C(c3ccccc3)[C@H](C(=O)Nc3ccc4c(c3)OCO4)S2)cc1 ZINC000008824696 569477256 /nfs/dbraw/zinc/47/72/56/569477256.db2.gz JNURCJSPXBVWDI-JOCHJYFZSA-N 0 0 444.516 4.650 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000008825567 569477417 /nfs/dbraw/zinc/47/74/17/569477417.db2.gz ZOTSPYXKFYZMGY-UHFFFAOYSA-N 0 0 443.484 4.972 50 0 IJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)c1 ZINC000008836655 569478115 /nfs/dbraw/zinc/47/81/15/569478115.db2.gz SCCMRIPRXCOSBH-UHFFFAOYSA-N 0 0 427.533 4.764 50 0 IJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846095 569478984 /nfs/dbraw/zinc/47/89/84/569478984.db2.gz QMSDFSSOHKJGCT-HSZRJFAPSA-N 0 0 426.472 4.641 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)c1 ZINC000008851097 569479361 /nfs/dbraw/zinc/47/93/61/569479361.db2.gz GQSBSDWBMNKPHB-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1C ZINC000008852047 569479433 /nfs/dbraw/zinc/47/94/33/569479433.db2.gz YWQIILJXJYGMTB-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c(C)c1 ZINC000008852040 569479463 /nfs/dbraw/zinc/47/94/63/569479463.db2.gz LEXCBFWOCWGPPG-UHFFFAOYSA-N 0 0 429.542 4.811 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)n1-c1ccccc1 ZINC000008861106 569479992 /nfs/dbraw/zinc/47/99/92/569479992.db2.gz APSJLLFZXNAZBU-MRXNPFEDSA-N 0 0 430.533 4.906 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1OCCC ZINC000008867927 569480339 /nfs/dbraw/zinc/48/03/39/569480339.db2.gz HJFAIHPDOHKIPP-OAHLLOKOSA-N 0 0 443.475 4.859 50 0 IJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 ZINC000008871391 569480782 /nfs/dbraw/zinc/48/07/82/569480782.db2.gz XTGWRMZJBLAHLT-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)n2)cc1 ZINC000008877832 569481238 /nfs/dbraw/zinc/48/12/38/569481238.db2.gz WLLDHXBPVIWSMT-DYJHLDHHSA-N 0 0 440.565 4.638 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1cncn1-c1ccc(F)cc1 ZINC000040005299 569482458 /nfs/dbraw/zinc/48/24/58/569482458.db2.gz TWVZNOOFRGICGP-UHFFFAOYSA-N 0 0 430.270 4.815 50 0 IJAARN Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccccc1 ZINC000040034731 569483287 /nfs/dbraw/zinc/48/32/87/569483287.db2.gz WFJQRSYCRDLQMM-IFMALSPDSA-N 0 0 443.547 4.584 50 0 IJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1S[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000008893348 569483601 /nfs/dbraw/zinc/48/36/01/569483601.db2.gz RQISMGBDVJMWDD-INIZCTEOSA-N 0 0 444.000 4.845 50 0 IJAARN Cc1nc(NC(=O)Cc2coc3cc(C)ccc23)sc1C1N=NC(=S)N1C1CC1 ZINC000040059536 569484737 /nfs/dbraw/zinc/48/47/37/569484737.db2.gz OUMBOQDVKQKLRV-UHFFFAOYSA-N 0 0 425.539 4.569 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008915721 569485594 /nfs/dbraw/zinc/48/55/94/569485594.db2.gz HFWXECOUGZSEPV-HUUCEWRRSA-N 0 0 430.335 4.759 50 0 IJAARN CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 ZINC000008917513 569486044 /nfs/dbraw/zinc/48/60/44/569486044.db2.gz PKLCEBFJQJNDJE-UHFFFAOYSA-N 0 0 437.805 4.556 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC(c4c[nH]c5ccccc54)CC3)C2)cc1 ZINC000040082851 569486665 /nfs/dbraw/zinc/48/66/65/569486665.db2.gz WMIISXHXRBJACU-JOCHJYFZSA-N 0 0 429.564 4.735 50 0 IJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)o1 ZINC000008923618 569487032 /nfs/dbraw/zinc/48/70/32/569487032.db2.gz IUXMFHNOBGRVDB-JOCHJYFZSA-N 0 0 430.287 4.902 50 0 IJAARN CC(C)OCCCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O ZINC000008924366 569487170 /nfs/dbraw/zinc/48/71/70/569487170.db2.gz CWJDUNAEQIJILU-UHFFFAOYSA-N 0 0 436.577 4.675 50 0 IJAARN O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000008927765 569487321 /nfs/dbraw/zinc/48/73/21/569487321.db2.gz ZPPAXNKDOHQDGI-HHHXNRCGSA-N 0 0 425.459 4.986 50 0 IJAARN CCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2)cc1OC ZINC000008945435 569488981 /nfs/dbraw/zinc/48/89/81/569488981.db2.gz OLIWSDKXSCPOCH-UHFFFAOYSA-N 0 0 429.108 4.871 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000040128777 569489737 /nfs/dbraw/zinc/48/97/37/569489737.db2.gz LNEFBJPNWMFBLE-UHFFFAOYSA-N 0 0 427.526 4.784 50 0 IJAARN CC(C)CN1c2cc(NC(=O)c3ccc(Br)o3)ccc2OCC(C)(C)C1=O ZINC000008959784 569490357 /nfs/dbraw/zinc/49/03/57/569490357.db2.gz LNKHJGASOMSTBD-UHFFFAOYSA-N 0 0 435.318 4.702 50 0 IJAARN O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1N1CCc2sccc2C1 ZINC000040134164 569490491 /nfs/dbraw/zinc/49/04/91/569490491.db2.gz ZLZZAZKHNQECHK-UHFFFAOYSA-N 0 0 425.579 4.521 50 0 IJAARN CN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000040134788 569490553 /nfs/dbraw/zinc/49/05/53/569490553.db2.gz JKXHFRWEYGAMKY-DEOSSOPVSA-N 0 0 447.966 4.835 50 0 IJAARN CCc1ccccc1-n1cnnc1SCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000040139155 569490803 /nfs/dbraw/zinc/49/08/03/569490803.db2.gz CQJPKPLTIUGGMS-UHFFFAOYSA-N 0 0 446.498 4.920 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc1O2 ZINC000008961281 569490958 /nfs/dbraw/zinc/49/09/58/569490958.db2.gz XUTFUPYCRCFQLQ-UHFFFAOYSA-N 0 0 432.860 4.946 50 0 IJAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C ZINC000008961241 569491007 /nfs/dbraw/zinc/49/10/07/569491007.db2.gz LWJKMQHWTQZTKA-UHFFFAOYSA-N 0 0 438.505 4.943 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCc1ccccc1Cl ZINC000008965327 569491382 /nfs/dbraw/zinc/49/13/82/569491382.db2.gz LOYCWDRKFZATSF-UHFFFAOYSA-N 0 0 448.954 4.554 50 0 IJAARN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965278 569491392 /nfs/dbraw/zinc/49/13/92/569491392.db2.gz COMJLRZWEHICDC-GAJHUEQPSA-N 0 0 428.536 4.633 50 0 IJAARN CC[C@@H](C(=O)Nc1cc(F)ccc1F)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965295 569491405 /nfs/dbraw/zinc/49/14/05/569491405.db2.gz KVGWDEKDCDUKNT-NRFANRHFSA-N 0 0 436.462 4.672 50 0 IJAARN Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000008965864 569491563 /nfs/dbraw/zinc/49/15/63/569491563.db2.gz QSRDFVZMVLPCJJ-LJQANCHMSA-N 0 0 428.561 4.962 50 0 IJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000008965994 569491658 /nfs/dbraw/zinc/49/16/58/569491658.db2.gz PYXKEIHCCYAAMS-NDEPHWFRSA-N 0 0 449.510 4.913 50 0 IJAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000008965995 569491679 /nfs/dbraw/zinc/49/16/79/569491679.db2.gz PYXKEIHCCYAAMS-MUUNZHRXSA-N 0 0 449.510 4.913 50 0 IJAARN CCCc1cc(=O)[nH]c(SCc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)n1 ZINC000008966307 569491718 /nfs/dbraw/zinc/49/17/18/569491718.db2.gz LUHOGRRJLGMAGC-UHFFFAOYSA-N 0 0 444.969 4.633 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)c2sc(-c3ccccc3)cc2OCC(=O)N2CCCCC2)C1 ZINC000040145378 569492107 /nfs/dbraw/zinc/49/21/07/569492107.db2.gz LDTQCUCTSFXDCE-OALUTQOASA-N 0 0 440.609 4.925 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@@H]1Cc2ccccc2O1 ZINC000040154982 569493854 /nfs/dbraw/zinc/49/38/54/569493854.db2.gz QUIFINMMCYXHEL-LEWJYISDSA-N 0 0 426.285 4.798 50 0 IJAARN Cc1n[nH]c2c1[C@@H](c1ccc(Br)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000008992797 569495377 /nfs/dbraw/zinc/49/53/77/569495377.db2.gz WYZYGNIPIPJPQT-OAQYLSRUSA-N 0 0 435.325 4.750 50 0 IJAARN C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccncc1 ZINC000008995544 569495621 /nfs/dbraw/zinc/49/56/21/569495621.db2.gz HBSBTKFXRAHFBM-OAHLLOKOSA-N 0 0 434.879 4.592 50 0 IJAARN COc1cc2c(cc1N1C(=O)[C@@H]3Cc4c([nH]c5ccccc54)CN3C1=O)oc1ccccc12 ZINC000009033945 569497233 /nfs/dbraw/zinc/49/72/33/569497233.db2.gz LNMNVLKNBAYVNZ-NRFANRHFSA-N 0 0 437.455 4.969 50 0 biogenic IJAARN Fc1ccccc1-c1noc(-c2cncnc2NCc2ccccc2Br)n1 ZINC000245170819 569497766 /nfs/dbraw/zinc/49/77/66/569497766.db2.gz XHPBKFJDPISYKM-UHFFFAOYSA-N 0 0 426.249 4.707 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3cccc(C(N)=O)c3)cc12 ZINC000009053906 569498880 /nfs/dbraw/zinc/49/88/80/569498880.db2.gz MAPCZALQQJAGEN-UHFFFAOYSA-N 0 0 444.438 4.765 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009054304 569498928 /nfs/dbraw/zinc/49/89/28/569498928.db2.gz UAYFKPDMAZDYST-OAQYLSRUSA-N 0 0 435.973 4.656 50 0 IJAARN Cc1ccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)CC(C)(C)C)s2)cc1 ZINC000040364287 569500077 /nfs/dbraw/zinc/50/00/77/569500077.db2.gz VFZLEOZNWHAFQS-LJQANCHMSA-N 0 0 436.581 4.616 50 0 IJAARN Cc1ccc(-c2nnc(NC(=O)[C@H](Cc3ccccc3)NC(=O)CC(C)(C)C)s2)cc1 ZINC000040364289 569500112 /nfs/dbraw/zinc/50/01/12/569500112.db2.gz VFZLEOZNWHAFQS-IBGZPJMESA-N 0 0 436.581 4.616 50 0 IJAARN COc1ccc(CCNC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 ZINC000009086485 569500671 /nfs/dbraw/zinc/50/06/71/569500671.db2.gz BDBYLUZAVFCZAH-UHFFFAOYSA-N 0 0 433.533 4.535 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009100571 569501547 /nfs/dbraw/zinc/50/15/47/569501547.db2.gz CTOMTBYAWXRSJV-UHFFFAOYSA-N 0 0 441.487 4.534 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)[C@H]1C ZINC000245261370 569501673 /nfs/dbraw/zinc/50/16/73/569501673.db2.gz ZYZGGXGQNFAIOT-NNIYEDBRSA-N 0 0 439.581 4.651 50 0 IJAARN O=C(COc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000009109432 569501950 /nfs/dbraw/zinc/50/19/50/569501950.db2.gz CELOWCPZCBKZJX-FGZHOGPDSA-N 0 0 443.482 4.581 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@H]1C ZINC000245279091 569501997 /nfs/dbraw/zinc/50/19/97/569501997.db2.gz BZMHVEWDBUBRFS-RTBURBONSA-N 0 0 428.552 4.970 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 ZINC000009111715 569502336 /nfs/dbraw/zinc/50/23/36/569502336.db2.gz QWPFYFIJHSVAKD-ZDUSSCGKSA-N 0 0 448.379 4.739 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2Cl)cc1 ZINC000009115339 569502686 /nfs/dbraw/zinc/50/26/86/569502686.db2.gz DAHWOGSTCPCBSG-UHFFFAOYSA-N 0 0 446.956 4.602 50 0 IJAARN CSc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000009115679 569502787 /nfs/dbraw/zinc/50/27/87/569502787.db2.gz WSOJWGQAOQWOQO-MUUNZHRXSA-N 0 0 433.982 4.935 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)c1 ZINC000009115647 569502811 /nfs/dbraw/zinc/50/28/11/569502811.db2.gz LBMUGSZMLJGFCG-LJAQVGFWSA-N 0 0 431.897 4.670 50 0 IJAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2cccc(Cl)c2)c2ccccc21 ZINC000009118249 569503260 /nfs/dbraw/zinc/50/32/60/569503260.db2.gz CGJZASCZXNQDJU-UHFFFAOYSA-N 0 0 429.973 4.894 50 0 IJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)Nc3ccc(F)cc3)c3ccccc32)CC1 ZINC000009118483 569503398 /nfs/dbraw/zinc/50/33/98/569503398.db2.gz VCVFGAQKMGNEBJ-UHFFFAOYSA-N 0 0 439.556 4.770 50 0 IJAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cncc(Br)c1 ZINC000009119816 569503665 /nfs/dbraw/zinc/50/36/65/569503665.db2.gz JORJIMHTCYUNPD-UHFFFAOYSA-N 0 0 441.763 4.894 50 0 IJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3nn(CC)c(=O)c4ccccc43)n2)c1C ZINC000009120245 569503789 /nfs/dbraw/zinc/50/37/89/569503789.db2.gz SXCHQFJOSISEIL-UHFFFAOYSA-N 0 0 435.553 4.621 50 0 IJAARN Cc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000009123801 569504168 /nfs/dbraw/zinc/50/41/68/569504168.db2.gz RNIXJJIPQFCPIH-IBGZPJMESA-N 0 0 428.883 4.866 50 0 IJAARN O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ncc(Cl)cc1Cl ZINC000009125003 569504552 /nfs/dbraw/zinc/50/45/52/569504552.db2.gz DJVSXXMABVLFKO-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CN(C)Cc1ccco1 ZINC000009125522 569504655 /nfs/dbraw/zinc/50/46/55/569504655.db2.gz BQVBDNQUGHVVIS-UHFFFAOYSA-N 0 0 441.915 4.573 50 0 IJAARN CCn1c(SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)nnc1-c1cccs1 ZINC000009125678 569504728 /nfs/dbraw/zinc/50/47/28/569504728.db2.gz NFWAXSPUGWVZMX-GOSISDBHSA-N 0 0 440.598 4.508 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccccc1CCc1ccccc1 ZINC000009126222 569504876 /nfs/dbraw/zinc/50/48/76/569504876.db2.gz OUZKTTWAXKKEJW-UHFFFAOYSA-N 0 0 436.939 4.845 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000009126512 569504947 /nfs/dbraw/zinc/50/49/47/569504947.db2.gz MGUJZBYDQGUYCH-UHFFFAOYSA-N 0 0 432.524 4.932 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)c(F)c1 ZINC000009127283 569505170 /nfs/dbraw/zinc/50/51/70/569505170.db2.gz KIRFVZFAVVLXSN-AWEZNQCLSA-N 0 0 447.967 4.722 50 0 IJAARN CCOc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1 ZINC000009130283 569506015 /nfs/dbraw/zinc/50/60/15/569506015.db2.gz RUCXNCAYEJTGAD-UHFFFAOYSA-N 0 0 425.535 4.614 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1=O ZINC000009134656 569507042 /nfs/dbraw/zinc/50/70/42/569507042.db2.gz WVTDTSNKKPFCMT-UHFFFAOYSA-N 0 0 426.428 4.818 50 0 IJAARN CN(Cc1nnc2n1CCC2)c1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC000009154075 569508218 /nfs/dbraw/zinc/50/82/18/569508218.db2.gz XUFDAUVUQFURAD-UHFFFAOYSA-N 0 0 448.621 4.646 50 0 IJAARN CN(C(=O)CSc1nc2ccccc2s1)c1ccccc1C(=O)NCc1ccco1 ZINC000009155141 569508248 /nfs/dbraw/zinc/50/82/48/569508248.db2.gz FUKQFOJBMXEZHK-UHFFFAOYSA-N 0 0 437.546 4.574 50 0 IJAARN CCOc1cccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)c1 ZINC000009158206 569508491 /nfs/dbraw/zinc/50/84/91/569508491.db2.gz KILZFZKODXJANU-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN CC(C)CN1c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009172453 569509568 /nfs/dbraw/zinc/50/95/68/569509568.db2.gz ANBUESCGIUEXDP-UHFFFAOYSA-N 0 0 436.961 4.548 50 0 IJAARN CC(C)CN1c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000009172534 569509580 /nfs/dbraw/zinc/50/95/80/569509580.db2.gz WTWMEMNZHLNQRD-UHFFFAOYSA-N 0 0 436.961 4.548 50 0 IJAARN CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)c1 ZINC000009184781 569509970 /nfs/dbraw/zinc/50/99/70/569509970.db2.gz MIRXWCRVXPSBGS-VWLOTQADSA-N 0 0 440.503 4.712 50 0 IJAARN CN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 ZINC000009193146 569510804 /nfs/dbraw/zinc/51/08/04/569510804.db2.gz PBTJMKZZVZOBMT-QFIPXVFZSA-N 0 0 435.487 4.849 50 0 IJAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000009195239 569510972 /nfs/dbraw/zinc/51/09/72/569510972.db2.gz KYTOOAKUADAIHQ-UHFFFAOYSA-N 0 0 441.535 4.947 50 0 IJAARN FC(F)(F)c1ccnc(N2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655365 569511619 /nfs/dbraw/zinc/51/16/19/569511619.db2.gz JTEPYOOSISCRLV-AWEZNQCLSA-N 0 0 435.837 4.973 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000009216655 569512205 /nfs/dbraw/zinc/51/22/05/569512205.db2.gz SEEDONPRXNZQCH-UHFFFAOYSA-N 0 0 430.508 4.603 50 0 IJAARN Cc1cn2nc(N3CCC4(C[C@H]4c4nc(-c5cccc(Cl)c5)no4)CC3)sc2n1 ZINC000069668739 569512299 /nfs/dbraw/zinc/51/22/99/569512299.db2.gz BSESHAOHUSZZSP-HNNXBMFYSA-N 0 0 426.933 4.577 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000009218077 569512354 /nfs/dbraw/zinc/51/23/54/569512354.db2.gz VKEZAMPQFMZIOO-PXDATVDWSA-N 0 0 430.552 4.602 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)C1 ZINC000009219404 569512512 /nfs/dbraw/zinc/51/25/12/569512512.db2.gz BVBISGGNKNNRDQ-HZPDHXFCSA-N 0 0 441.984 4.636 50 0 IJAARN COc1ccc2c(C)cc3nnc(S[C@H](C)C(=O)N4c5ccccc5C[C@@H]4C)n3c2c1 ZINC000009221056 569512616 /nfs/dbraw/zinc/51/26/16/569512616.db2.gz HYUGQLJNOOGNNT-JKSUJKDBSA-N 0 0 432.549 4.658 50 0 IJAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(CN3CCc4ccccc43)nc(=O)c12 ZINC000009220773 569512642 /nfs/dbraw/zinc/51/26/42/569512642.db2.gz LLDURIGIMVJKHF-UHFFFAOYSA-N 0 0 444.560 4.725 50 0 IJAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2Cc2ccccc2Cl)no1 ZINC000009223045 569512831 /nfs/dbraw/zinc/51/28/31/569512831.db2.gz UFBZLWGMNJPHIE-UHFFFAOYSA-N 0 0 439.928 4.821 50 0 IJAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000009223350 569512927 /nfs/dbraw/zinc/51/29/27/569512927.db2.gz PHCYXOKWPLTZQN-UHFFFAOYSA-N 0 0 440.540 4.898 50 0 IJAARN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000009228268 569513569 /nfs/dbraw/zinc/51/35/69/569513569.db2.gz WOMKTELLYBMLRP-UHFFFAOYSA-N 0 0 428.510 4.751 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c1 ZINC000009236925 569514182 /nfs/dbraw/zinc/51/41/82/569514182.db2.gz QKDPCMDLKYPIAQ-FCHUYYIVSA-N 0 0 441.560 4.960 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(Nc2ccc(C)cc2)n1 ZINC000009244619 569515107 /nfs/dbraw/zinc/51/51/07/569515107.db2.gz PUACBFUEHBCFJA-UHFFFAOYSA-N 0 0 430.961 4.928 50 0 IJAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1cccc2ccccc21 ZINC000009245546 569515327 /nfs/dbraw/zinc/51/53/27/569515327.db2.gz AGUCHSMOKTUIKL-NDEPHWFRSA-N 0 0 434.495 4.713 50 0 IJAARN COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2OC)cc1 ZINC000009250157 569515662 /nfs/dbraw/zinc/51/56/62/569515662.db2.gz DWYYHUJSWLRKFK-UHFFFAOYSA-N 0 0 436.533 4.943 50 0 IJAARN Cc1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccccc2)n1Cc1ccccc1 ZINC000009252845 569516074 /nfs/dbraw/zinc/51/60/74/569516074.db2.gz YQZSOLGEJWRDRC-JOCHJYFZSA-N 0 0 434.590 4.694 50 0 IJAARN NC(=O)N[C@@H](CC(=O)Nc1cccc2cccnc21)c1cccc(Oc2ccccc2)c1 ZINC000009254406 569516354 /nfs/dbraw/zinc/51/63/54/569516354.db2.gz ORWWXYHQLGLRLF-QFIPXVFZSA-N 0 0 426.476 4.765 50 0 IJAARN c1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@H]4CCCO4)s3)c12 ZINC000009257869 569516866 /nfs/dbraw/zinc/51/68/66/569516866.db2.gz FYSLPSGARMZLEA-CYBMUJFWSA-N 0 0 427.580 4.952 50 0 IJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000009267904 569517506 /nfs/dbraw/zinc/51/75/06/569517506.db2.gz NHCSKWOWHWWYOF-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN CCOc1ccc(C(=O)Nc2nnc(-c3cc(OCC)c(OCC)c(OCC)c3)o2)cc1 ZINC000009274828 569518240 /nfs/dbraw/zinc/51/82/40/569518240.db2.gz CBXNVKDAAGKQNH-UHFFFAOYSA-N 0 0 441.484 4.584 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009283593 569518918 /nfs/dbraw/zinc/51/89/18/569518918.db2.gz ITMRLWWSBLPSMT-SECBINFHSA-N 0 0 430.839 4.867 50 0 IJAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1c3ccccc3n(C)c1-c1ccccc1)C2=O ZINC000009285838 569519237 /nfs/dbraw/zinc/51/92/37/569519237.db2.gz NDZZOTCQIHFOEG-QLXKLKPCSA-N 0 0 429.520 4.529 50 0 IJAARN COc1ccccc1/C=C/C(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 ZINC000009288843 569519408 /nfs/dbraw/zinc/51/94/08/569519408.db2.gz YBJMVRJTTXRPFK-VAWYXSNFSA-N 0 0 445.910 4.968 50 0 IJAARN Cc1nn([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2c3ccccc3sc21 ZINC000009288743 569519425 /nfs/dbraw/zinc/51/94/25/569519425.db2.gz GDGXHRITCHLASO-SFHVURJKSA-N 0 0 445.588 4.962 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000009288459 569519427 /nfs/dbraw/zinc/51/94/27/569519427.db2.gz AYIVBKZDLRCSIP-UHFFFAOYSA-N 0 0 448.903 4.931 50 0 IJAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009292014 569519950 /nfs/dbraw/zinc/51/99/50/569519950.db2.gz VOJIKKIHFNFQCI-XZOQPEGZSA-N 0 0 427.895 4.848 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009293320 569520225 /nfs/dbraw/zinc/52/02/25/569520225.db2.gz DAGBMANEPOBDFA-OAQYLSRUSA-N 0 0 432.863 4.595 50 0 IJAARN COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Br)c1OCc1ccccc1 ZINC000009295563 569520332 /nfs/dbraw/zinc/52/03/32/569520332.db2.gz XXEHLJSDCNFNNM-UHFFFAOYSA-N 0 0 437.293 4.940 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC1CCCCCC1 ZINC000009309937 569521724 /nfs/dbraw/zinc/52/17/24/569521724.db2.gz LVQLHUNXBWLWKM-QHCPKHFHSA-N 0 0 435.568 4.532 50 0 IJAARN Cc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000009328402 569522854 /nfs/dbraw/zinc/52/28/54/569522854.db2.gz VCEIJTONYBKGOG-UHFFFAOYSA-N 0 0 429.428 4.718 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(NC(=O)c4ccco4)nc3N2)cc1 ZINC000009344681 569524030 /nfs/dbraw/zinc/52/40/30/569524030.db2.gz NMAKJCSTXJIZLA-RBUKOAKNSA-N 0 0 449.898 4.932 50 0 IJAARN CC(=O)CCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CC(C)(C)OC3 ZINC000009345434 569524133 /nfs/dbraw/zinc/52/41/33/569524133.db2.gz ABEIHCHRYLSTSG-UHFFFAOYSA-N 0 0 430.599 4.806 50 0 IJAARN CCSc1ccccc1C(=O)N1CCN(c2nc3c(s2)c(C)ccc3OC)CC1 ZINC000009346967 569524278 /nfs/dbraw/zinc/52/42/78/569524278.db2.gz LMGSNCKUUXKKKW-UHFFFAOYSA-N 0 0 427.595 4.688 50 0 IJAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1SCc1ccsc1 ZINC000069969036 569525966 /nfs/dbraw/zinc/52/59/66/569525966.db2.gz SKYNJQNMWBQFIN-UHFFFAOYSA-N 0 0 443.594 4.624 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)Cc3cccc4ccccc43)s2)c1 ZINC000009364408 569526014 /nfs/dbraw/zinc/52/60/14/569526014.db2.gz COWNBMLUSHDIAO-UHFFFAOYSA-N 0 0 448.573 4.912 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)CCC(=O)N5)c(=O)c23)cc1C ZINC000009365803 569526158 /nfs/dbraw/zinc/52/61/58/569526158.db2.gz SINWYEYNSUOPGA-UHFFFAOYSA-N 0 0 443.528 4.509 50 0 IJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009365984 569526228 /nfs/dbraw/zinc/52/62/28/569526228.db2.gz KFTYQZHKQZQLEO-FOIQADDNSA-N 0 0 438.622 4.940 50 0 IJAARN CCCSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(C(F)(F)F)c1 ZINC000009368982 569526685 /nfs/dbraw/zinc/52/66/85/569526685.db2.gz FTVUBRLEWZYXFA-UHFFFAOYSA-N 0 0 438.450 4.857 50 0 IJAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000009369128 569526720 /nfs/dbraw/zinc/52/67/20/569526720.db2.gz GYGUPIVXXOTMMP-UHFFFAOYSA-N 0 0 442.566 4.537 50 0 IJAARN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000009377970 569527601 /nfs/dbraw/zinc/52/76/01/569527601.db2.gz JEBLKKYEENHZBM-UHFFFAOYSA-N 0 0 428.583 4.815 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cs2)cc1 ZINC000009385684 569528467 /nfs/dbraw/zinc/52/84/67/569528467.db2.gz AGKGZZSSWPQVKU-HXUWFJFHSA-N 0 0 436.533 4.957 50 0 IJAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009387042 569528468 /nfs/dbraw/zinc/52/84/68/569528468.db2.gz JGMDQWRRJJWOLE-UHFFFAOYSA-N 0 0 448.548 4.547 50 0 IJAARN O=c1[nH]nc(SC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000070014784 569528547 /nfs/dbraw/zinc/52/85/47/569528547.db2.gz IRBIFHCQKPZXBK-QGZVFWFLSA-N 0 0 436.364 4.939 50 0 IJAARN Cn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccccc1Cl ZINC000009390390 569528632 /nfs/dbraw/zinc/52/86/32/569528632.db2.gz HQBOTOICIDGALW-UHFFFAOYSA-N 0 0 428.764 4.935 50 0 IJAARN CCc1cccc(CC)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C ZINC000009390727 569528758 /nfs/dbraw/zinc/52/87/58/569528758.db2.gz QCTHDYUQMYXSSP-UHFFFAOYSA-N 0 0 438.597 4.831 50 0 IJAARN Cc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C1CCCCC1 ZINC000009392238 569529088 /nfs/dbraw/zinc/52/90/88/569529088.db2.gz LHRVOXBHMPFXLM-QHCPKHFHSA-N 0 0 439.581 4.625 50 0 IJAARN Cc1ccccc1C(=O)NCCn1cc(SCC(=O)NC2CCCC2)c2ccccc21 ZINC000009394502 569529153 /nfs/dbraw/zinc/52/91/53/569529153.db2.gz ZMRCMHLQZMLQAC-UHFFFAOYSA-N 0 0 435.593 4.531 50 0 IJAARN COc1ccc(-c2nsc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000009404043 569529602 /nfs/dbraw/zinc/52/96/02/569529602.db2.gz BOPAPVLITKGSBU-UHFFFAOYSA-N 0 0 441.456 4.843 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1Cl ZINC000009407510 569530252 /nfs/dbraw/zinc/53/02/52/569530252.db2.gz NCCHIDQDGGASJM-UHFFFAOYSA-N 0 0 449.937 4.625 50 0 IJAARN CCCCOc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408948 569530856 /nfs/dbraw/zinc/53/08/56/569530856.db2.gz PJXBAKDZVSGSIS-CLOONOSVSA-N 0 0 447.535 4.685 50 0 IJAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5cccs5)nn4cnc32)cc1OC ZINC000009410085 569531276 /nfs/dbraw/zinc/53/12/76/569531276.db2.gz ULUJHUBAUOHXJT-UHFFFAOYSA-N 0 0 433.537 4.684 50 0 IJAARN O=C(COc1cccc(Br)c1)Nc1c(-c2ccccc2)nc2sccn21 ZINC000009412203 569531624 /nfs/dbraw/zinc/53/16/24/569531624.db2.gz UAYIQAQWFNEQGD-UHFFFAOYSA-N 0 0 428.311 4.843 50 0 IJAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000009413610 569531794 /nfs/dbraw/zinc/53/17/94/569531794.db2.gz YEVQOCBAVCOXPI-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN O=S(=O)(c1cccs1)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000009421080 569532714 /nfs/dbraw/zinc/53/27/14/569532714.db2.gz JWPJYBUKDJJVJW-FQEVSTJZSA-N 0 0 441.553 4.811 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H](O)c1ccccc1)occ3C(C)(C)C ZINC000009429687 569533733 /nfs/dbraw/zinc/53/37/33/569533733.db2.gz SPOZRBBRAJEZEV-NRFANRHFSA-N 0 0 433.504 4.537 50 0 IJAARN COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn3nc(Cc4ccccc4)nc3c21 ZINC000009429599 569533738 /nfs/dbraw/zinc/53/37/38/569533738.db2.gz UTQUKQFNLFERNB-HSZRJFAPSA-N 0 0 436.471 4.715 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)n1 ZINC000009431805 569534310 /nfs/dbraw/zinc/53/43/10/569534310.db2.gz FWRSRPPLCTYMGU-UHFFFAOYSA-N 0 0 441.966 4.777 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]1c1cccs1 ZINC000009432774 569534457 /nfs/dbraw/zinc/53/44/57/569534457.db2.gz HWPRLQLVOYXSSI-XZOQPEGZSA-N 0 0 448.544 4.517 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000009432796 569534490 /nfs/dbraw/zinc/53/44/90/569534490.db2.gz MTCUUAUVBHHYNC-SFTDATJTSA-N 0 0 440.952 4.967 50 0 IJAARN COc1cccc(-n2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3c2=O)c1 ZINC000009438905 569535046 /nfs/dbraw/zinc/53/50/46/569535046.db2.gz BSHMYZDGVIGMDK-IBGZPJMESA-N 0 0 426.516 4.750 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)cc1 ZINC000009442270 569535484 /nfs/dbraw/zinc/53/54/84/569535484.db2.gz OUDGWNVDRFVYJW-CQSZACIVSA-N 0 0 443.619 4.909 50 0 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ZINC000009549731 569546608 /nfs/dbraw/zinc/54/66/08/569546608.db2.gz DWLJDMIGEUAMNZ-OAQYLSRUSA-N 0 0 439.562 4.514 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2C)c1S(=O)(=O)c1ccccc1 ZINC000009559039 569546882 /nfs/dbraw/zinc/54/68/82/569546882.db2.gz HRVRZPPQOCRMBF-UHFFFAOYSA-N 0 0 432.501 4.541 50 0 IJAARN CCCCCn1nc(C(=O)OCC(=O)Nc2ccccc2[C@@H](C)CC)c2ccccc2c1=O ZINC000009561768 569547142 /nfs/dbraw/zinc/54/71/42/569547142.db2.gz IWODFJPKXPSSAN-SFHVURJKSA-N 0 0 449.551 4.896 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)ccc2n1-c1ccccc1 ZINC000009562617 569547345 /nfs/dbraw/zinc/54/73/45/569547345.db2.gz BTPZFCTVLOWXPU-UHFFFAOYSA-N 0 0 439.393 4.547 50 0 IJAARN C[C@H](O)CNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(SC(F)F)cc2)n1 ZINC000009573563 569547900 /nfs/dbraw/zinc/54/79/00/569547900.db2.gz YVWNLOFYJFGGJR-ZDUSSCGKSA-N 0 0 442.495 4.667 50 0 IJAARN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc32)c(OC)c1 ZINC000009587826 569549858 /nfs/dbraw/zinc/54/98/58/569549858.db2.gz YUQQAJXBBSDJLY-UHFFFAOYSA-N 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569553294 /nfs/dbraw/zinc/55/32/94/569553294.db2.gz JZUFPPYAMVYRCV-UHFFFAOYSA-N 0 0 428.583 4.575 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(C(F)(F)F)n3C)ccc21 ZINC000009631769 569553827 /nfs/dbraw/zinc/55/38/27/569553827.db2.gz UFCPOTAZEVEJNN-UHFFFAOYSA-N 0 0 433.459 4.693 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cc(Cl)c(OC)cc2OC)nc1 ZINC000009633016 569554172 /nfs/dbraw/zinc/55/41/72/569554172.db2.gz GWCHIXSIMKBLKI-UHFFFAOYSA-N 0 0 447.944 4.711 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009634630 569554526 /nfs/dbraw/zinc/55/45/26/569554526.db2.gz PPGFNSUYKMCKGU-UHFFFAOYSA-N 0 0 430.917 4.774 50 0 IJAARN CC(C)(C)c1ccc(OCCSc2nc(-c3ccc(F)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000009641122 569555547 /nfs/dbraw/zinc/55/55/47/569555547.db2.gz CMYQIXJFOUJSTK-UHFFFAOYSA-N 0 0 438.528 4.692 50 0 IJAARN Cc1ccc(OCCCSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1C ZINC000009640890 569555570 /nfs/dbraw/zinc/55/55/70/569555570.db2.gz CXGJEEQBQAKBJE-UHFFFAOYSA-N 0 0 440.956 4.916 50 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CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3c(cccc3F)s2)cc1 ZINC000010187505 569578574 /nfs/dbraw/zinc/57/85/74/569578574.db2.gz JTKTYSVDRQCGER-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N1CCS[C@@H]1c1ccccc1F ZINC000010214843 569579168 /nfs/dbraw/zinc/57/91/68/569579168.db2.gz MMVAJFIBAVPSIN-XMMPIXPASA-N 0 0 436.508 4.731 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)cc1C ZINC000010253396 569579939 /nfs/dbraw/zinc/57/99/39/569579939.db2.gz ZUPPMKNTEPGCQG-UHFFFAOYSA-N 0 0 430.551 4.562 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)cc1 ZINC000010413444 569581972 /nfs/dbraw/zinc/58/19/72/569581972.db2.gz YXQYFCHPTQUOLC-UHFFFAOYSA-N 0 0 434.525 4.655 50 0 IJAARN CCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000010433573 569582062 /nfs/dbraw/zinc/58/20/62/569582062.db2.gz HZHIWGATJCTCJF-UHFFFAOYSA-N 0 0 433.895 4.754 50 0 IJAARN COc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(C)=O)c3)ccc2OC(F)F)cc1 ZINC000010515763 569582641 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O=C(c1ccc2c(c1)NC(=O)c1ccccc1S2)N1CCN(c2ccc(F)cc2)CC1 ZINC000009971962 132333450 /nfs/dbraw/zinc/33/34/50/132333450.db2.gz DGHCPUYFJZXEIH-UHFFFAOYSA-N 0 0 433.508 4.505 50 0 IJAARN O=C(N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012955985 132341124 /nfs/dbraw/zinc/34/11/24/132341124.db2.gz ZJDJHJZYDPYMQE-UHFFFAOYSA-N 0 0 427.898 4.619 50 0 IJAARN O=C(CCN1C(=O)COc2ccccc21)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012980616 132341289 /nfs/dbraw/zinc/34/12/89/132341289.db2.gz ACEFRRMXDPCFPE-UHFFFAOYSA-N 0 0 448.331 4.871 50 0 IJAARN Cc1ccc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013073656 132344079 /nfs/dbraw/zinc/34/40/79/132344079.db2.gz UNXIOTARIVXUAG-UHFFFAOYSA-N 0 0 429.895 4.503 50 0 IJAARN Fc1ccc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(F)c1 ZINC000013469187 132347027 /nfs/dbraw/zinc/34/70/27/132347027.db2.gz IXMFNZFHHRZZMJ-UHFFFAOYSA-N 0 0 436.837 4.551 50 0 IJAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1Cl ZINC000014195179 132356631 /nfs/dbraw/zinc/35/66/31/132356631.db2.gz ZKOMXXGBGQJCPN-UHFFFAOYSA-N 0 0 443.172 4.517 50 0 IJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H](C)Oc2ccccc2)C3)s1 ZINC000012331680 518295437 /nfs/dbraw/zinc/29/54/37/518295437.db2.gz UVYSOSMGJVOICF-HNAYVOBHSA-N 0 0 439.508 4.644 50 0 IJAARN CC(=O)c1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H](C)Oc2ccccc2)cc1 ZINC000012551523 518395901 /nfs/dbraw/zinc/39/59/01/518395901.db2.gz CRNPRMDZKNVWFO-CTNGQTDRSA-N 0 0 430.504 4.819 50 0 IJAARN CC(=O)c1ccc(OC[C@@H](O)Cn2c3ccccc3nc2[C@H](C)Oc2ccccc2)cc1 ZINC000012551526 518396546 /nfs/dbraw/zinc/39/65/46/518396546.db2.gz CRNPRMDZKNVWFO-FPOVZHCZSA-N 0 0 430.504 4.819 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 ZINC000012159756 518474883 /nfs/dbraw/zinc/47/48/83/518474883.db2.gz KSYMMHJSNKMNGR-KRWDZBQOSA-N 0 0 440.569 4.529 50 0 IJAARN CC(C)(C)C(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)C(C)(C)C)cc2)cc1 ZINC000021084931 518556385 /nfs/dbraw/zinc/55/63/85/518556385.db2.gz LPILYIHQWQNXQG-UHFFFAOYSA-N 0 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4.960 50 0 IJAARN CC(C)n1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000012760321 519924000 /nfs/dbraw/zinc/92/40/00/519924000.db2.gz DEYOTINVZKJZQI-LJQANCHMSA-N 0 0 439.606 4.640 50 0 IJAARN CCOCCOC(=O)c1ccc2c(c1)N(Cc1ccncc1)C(=O)c1ccccc1S2 ZINC000021939321 519974932 /nfs/dbraw/zinc/97/49/32/519974932.db2.gz IYSXFQWILCLSDA-UHFFFAOYSA-N 0 0 434.517 4.587 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000023982912 520079047 /nfs/dbraw/zinc/07/90/47/520079047.db2.gz OALYOZZLXDSCDY-UHFFFAOYSA-N 0 0 445.592 4.699 50 0 IJAARN CCN(C)C(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042347 520216283 /nfs/dbraw/zinc/21/62/83/520216283.db2.gz VQNHRWGKYLQTSE-MOPGFXCFSA-N 0 0 438.877 4.693 50 0 IJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)cc1 ZINC000035171080 520339691 /nfs/dbraw/zinc/33/96/91/520339691.db2.gz SXFGACOEJXEAIR-KRWDZBQOSA-N 0 0 425.435 4.556 50 0 IJAARN CCN(CC(=O)Nc1ccc(I)cc1)c1cccc2ccccc21 ZINC000012619338 520360109 /nfs/dbraw/zinc/36/01/09/520360109.db2.gz ORGWOHLELTUSHS-UHFFFAOYSA-N 0 0 430.289 4.909 50 0 IJAARN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057281490 520370972 /nfs/dbraw/zinc/37/09/72/520370972.db2.gz TYRXTHBPLGLARE-UHFFFAOYSA-N 0 0 444.560 4.535 50 0 IJAARN CCN(CC(=O)c1c2ccccc2[nH]c1-c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012931627 520386278 /nfs/dbraw/zinc/38/62/78/520386278.db2.gz OMMOQOVYTKVFJL-UHFFFAOYSA-N 0 0 436.515 4.776 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000253376237 520386715 /nfs/dbraw/zinc/38/67/15/520386715.db2.gz SMQPALBQOAGWGP-WXFUMESZSA-N 0 0 428.488 4.527 50 0 IJAARN CCCOc1ccc(NC(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1OCCC ZINC000012854408 520393244 /nfs/dbraw/zinc/39/32/44/520393244.db2.gz PULJXAVUPCCCCP-UHFFFAOYSA-N 0 0 433.936 4.986 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCOc2ccccc2)CC1 ZINC000012715774 520464418 /nfs/dbraw/zinc/46/44/18/520464418.db2.gz SUKBEYHKHSGSDQ-UHFFFAOYSA-N 0 0 429.944 4.524 50 0 IJAARN CCCCN(CCCC)c1nc(F)c2c(c1F)S(=O)(=O)CCN2C1CCCCC1 ZINC000024615855 520498998 /nfs/dbraw/zinc/49/89/98/520498998.db2.gz UXYHFPQJINDKLX-UHFFFAOYSA-N 0 0 429.577 4.693 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1c(Cl)cccc1Cl ZINC000012859288 520532209 /nfs/dbraw/zinc/53/22/09/520532209.db2.gz ASHRJXHDUYDCTK-HNNXBMFYSA-N 0 0 448.327 4.826 50 0 IJAARN CCOC(=O)C1=CN(c2ccc(OCC)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1 ZINC000001107195 520543992 /nfs/dbraw/zinc/54/39/92/520543992.db2.gz GRADHLHMNDBEMY-UHFFFAOYSA-N 0 0 439.483 4.722 50 0 IJAARN CCOC(=O)C1CCN(c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)CC1 ZINC000021883561 520587858 /nfs/dbraw/zinc/58/78/58/520587858.db2.gz RJVUNLMSQWUKEM-UHFFFAOYSA-N 0 0 445.564 4.587 50 0 IJAARN CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC000012905248 520595787 /nfs/dbraw/zinc/59/57/87/520595787.db2.gz RHBAHPRBJWUAJO-GOSISDBHSA-N 0 0 431.916 4.886 50 0 IJAARN CC1(C)Oc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)cc2O1 ZINC000065478404 520614696 /nfs/dbraw/zinc/61/46/96/520614696.db2.gz LTGCKPWEPFQPBP-MRXNPFEDSA-N 0 0 435.307 4.744 50 0 IJAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000021889568 520783407 /nfs/dbraw/zinc/78/34/07/520783407.db2.gz MPWWOTNMDPHSRD-VWLOTQADSA-N 0 0 431.536 4.778 50 0 IJAARN CCOc1cc2c(cc1NC(=O)c1cc(C)nc3c1cnn3Cc1cccs1)O[C@@H](C)C2 ZINC000012863742 520796805 /nfs/dbraw/zinc/79/68/05/520796805.db2.gz MTLXJHVRULMVBL-HNNXBMFYSA-N 0 0 448.548 4.824 50 0 IJAARN CCOC(=O)CSc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 ZINC000020895267 520810853 /nfs/dbraw/zinc/81/08/53/520810853.db2.gz JGYMRTOJMJZDMW-UHFFFAOYSA-N 0 0 436.942 4.622 50 0 IJAARN CCOc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)cc4)CC3)c(C)o2)cc1 ZINC000033085241 520814565 /nfs/dbraw/zinc/81/45/65/520814565.db2.gz YSOYCYPBDOUGJZ-UHFFFAOYSA-N 0 0 438.503 4.538 50 0 IJAARN CCOc1ccc(-c2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2C)cc1 ZINC000009390529 520821765 /nfs/dbraw/zinc/82/17/65/520821765.db2.gz ZMYAHNRGQNTQRY-UHFFFAOYSA-N 0 0 443.956 4.929 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccc(OC)cc4)n3)o2)cc1 ZINC000012522873 520878290 /nfs/dbraw/zinc/87/82/90/520878290.db2.gz YQLXMUZLAHVSCN-UHFFFAOYSA-N 0 0 437.525 4.934 50 0 IJAARN CCN(CC)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c(C)c1 ZINC000017288059 520914990 /nfs/dbraw/zinc/91/49/90/520914990.db2.gz ZZGBRFXOBDPFKN-UHFFFAOYSA-N 0 0 438.528 4.544 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CCCn2nc(-c3ccc(C)cc3)ccc2=O)c(C)c1 ZINC000012441149 520915907 /nfs/dbraw/zinc/91/59/07/520915907.db2.gz VSLJSODMCIVJJY-UHFFFAOYSA-N 0 0 432.568 4.792 50 0 IJAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000012554103 520923940 /nfs/dbraw/zinc/92/39/40/520923940.db2.gz JPVZIMHVYRLXCF-HOTGVXAUSA-N 0 0 442.560 4.791 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CS[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000024520815 520925798 /nfs/dbraw/zinc/92/57/98/520925798.db2.gz GQOMPBCLFAFKJD-MRXNPFEDSA-N 0 0 440.565 4.674 50 0 IJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2C2CCCCCC2)CC1 ZINC000021811064 520949489 /nfs/dbraw/zinc/94/94/89/520949489.db2.gz OVTQTDGZRQIOSV-ZQYQLRQTSA-N 0 0 425.573 4.867 50 0 IJAARN CCOC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035892695 520961631 /nfs/dbraw/zinc/96/16/31/520961631.db2.gz MNDTZIDJUYVWFF-UHFFFAOYSA-N 0 0 428.602 4.896 50 0 IJAARN CCC[C@H](C(=O)OCC)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844811 520990849 /nfs/dbraw/zinc/99/08/49/520990849.db2.gz QZVCSERLXJLNJU-XMMPIXPASA-N 0 0 442.600 4.603 50 0 IJAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)cc1OCC ZINC000033174383 520992462 /nfs/dbraw/zinc/99/24/62/520992462.db2.gz ATUMNGYVENEUIA-GOSISDBHSA-N 0 0 439.581 4.627 50 0 IJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000002345571 521033693 /nfs/dbraw/zinc/03/36/93/521033693.db2.gz GIAWFXIWCCCBKI-CYBMUJFWSA-N 0 0 431.282 4.861 50 0 IJAARN CCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000012411837 521037117 /nfs/dbraw/zinc/03/71/17/521037117.db2.gz CSASVGCVSIKPNN-VWLOTQADSA-N 0 0 448.519 4.704 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902793 521040944 /nfs/dbraw/zinc/04/09/44/521040944.db2.gz JOEDLZJEPORSJD-HHHXNRCGSA-N 0 0 445.563 4.908 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858491 521041597 /nfs/dbraw/zinc/04/15/97/521041597.db2.gz KEZMTMQHEWVCMC-AREMUKBSSA-N 0 0 433.552 4.621 50 0 IJAARN CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000034916877 521043544 /nfs/dbraw/zinc/04/35/44/521043544.db2.gz CIXBHFFPUHSFBU-DHLKQENFSA-N 0 0 428.532 4.538 50 0 IJAARN CCOc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 ZINC000021100292 521101262 /nfs/dbraw/zinc/10/12/62/521101262.db2.gz WQHXGPJYFIPYII-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(F)c2)C1 ZINC000035891865 521104118 /nfs/dbraw/zinc/10/41/18/521104118.db2.gz HSKFHMQOWFAEHK-KNQAVFIVSA-N 0 0 436.527 4.641 50 0 IJAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2NC(=S)N(CC)C(CC)=C2C(=O)OC)cc1 ZINC000035729587 521162102 /nfs/dbraw/zinc/16/21/02/521162102.db2.gz WKPPEIBDUWUJHX-HRAATJIYSA-N 0 0 445.629 4.930 50 0 IJAARN CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OCC ZINC000012856949 521195413 /nfs/dbraw/zinc/19/54/13/521195413.db2.gz DXCLXQQOVYRYAE-KRWDZBQOSA-N 0 0 432.567 4.620 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CCOc2ccc(F)cc2)c1=O ZINC000020899523 521227464 /nfs/dbraw/zinc/22/74/64/521227464.db2.gz ZLPIVAUVAHVNJY-UHFFFAOYSA-N 0 0 431.467 4.630 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2C(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000012792469 521242935 /nfs/dbraw/zinc/24/29/35/521242935.db2.gz WHVJODQXGFDTKV-IBGZPJMESA-N 0 0 442.972 4.650 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3F)N2C1=O ZINC000021936185 521254458 /nfs/dbraw/zinc/25/44/58/521254458.db2.gz OLGBDXNXSOGKNQ-RTBURBONSA-N 0 0 438.528 4.735 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 ZINC000024611269 521276527 /nfs/dbraw/zinc/27/65/27/521276527.db2.gz RPFPMPWGHNFWGF-UHFFFAOYSA-N 0 0 428.598 4.518 50 0 IJAARN CCCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000020572699 521286289 /nfs/dbraw/zinc/28/62/89/521286289.db2.gz IXZZWRXXHITHKO-UHFFFAOYSA-N 0 0 428.642 4.833 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)sc2c1 ZINC000020383361 521300288 /nfs/dbraw/zinc/30/02/88/521300288.db2.gz ZJKFNTOAJZASNB-UHFFFAOYSA-N 0 0 429.973 4.881 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2ccc(F)cc2)c1C ZINC000036000969 521360623 /nfs/dbraw/zinc/36/06/23/521360623.db2.gz UDFXBJOAYHBXOG-UHFFFAOYSA-N 0 0 442.531 4.853 50 0 IJAARN CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c3ccccc3oc2c1=O ZINC000009749266 521372125 /nfs/dbraw/zinc/37/21/25/521372125.db2.gz URFMJBRNQURDGB-UHFFFAOYSA-N 0 0 437.521 4.682 50 0 IJAARN CCCCn1c2nnc(SCc3ccc(Br)cc3)n2c2ccsc2c1=O ZINC000035529106 521380068 /nfs/dbraw/zinc/38/00/68/521380068.db2.gz YFCRDXQGEUOBEM-UHFFFAOYSA-N 0 0 449.399 4.961 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2cc(OCC)ccc2[nH]1 ZINC000012530069 521391827 /nfs/dbraw/zinc/39/18/27/521391827.db2.gz SSRCKSKDPITFCE-UHFFFAOYSA-N 0 0 433.555 4.547 50 0 IJAARN CCCCn1nc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cc1C ZINC000036617054 521396516 /nfs/dbraw/zinc/39/65/16/521396516.db2.gz LFZRDASWRJEVCC-UHFFFAOYSA-N 0 0 432.528 4.510 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CC[C@H](CC)C2 ZINC000012273891 521411414 /nfs/dbraw/zinc/41/14/14/521411414.db2.gz XALRJZJNEJIXTJ-ZDUSSCGKSA-N 0 0 425.506 4.798 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000023429663 521426542 /nfs/dbraw/zinc/42/65/42/521426542.db2.gz DSHVGPCBTJOBOQ-SFHVURJKSA-N 0 0 431.536 4.897 50 0 IJAARN CCC(CC)C(=O)Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1 ZINC000035372125 521502007 /nfs/dbraw/zinc/50/20/07/521502007.db2.gz MKJOKEGELDYNKB-UHFFFAOYSA-N 0 0 425.554 4.589 50 0 IJAARN CCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000008396371 521526998 /nfs/dbraw/zinc/52/69/98/521526998.db2.gz YMVTTWHBPPXFGP-YBFXNURJSA-N 0 0 439.924 4.990 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(=O)Nc1ccccc1 ZINC000035471563 521540262 /nfs/dbraw/zinc/54/02/62/521540262.db2.gz SMZYEKLNQSKZRO-DEOSSOPVSA-N 0 0 434.515 4.503 50 0 IJAARN CCOc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000016497154 521601720 /nfs/dbraw/zinc/60/17/20/521601720.db2.gz PAAFFWMJAIZBIH-UHFFFAOYSA-N 0 0 432.455 4.733 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2c1C ZINC000021150925 521607996 /nfs/dbraw/zinc/60/79/96/521607996.db2.gz DRRLOTAWFBRSBS-LJQANCHMSA-N 0 0 431.485 4.583 50 0 IJAARN CCOC(=O)c1sc(SC)c2c1CCc1cnc(SCC(=O)C(C)(C)C)nc1-2 ZINC000036048359 521615684 /nfs/dbraw/zinc/61/56/84/521615684.db2.gz RRCYTWXSCAFDQA-UHFFFAOYSA-N 0 0 436.624 4.910 50 0 IJAARN CCC1(CC)Cc2ccccc2-c2nc(CSc3nc4ccccc4c(=O)[nH]3)[nH]c(=O)c21 ZINC000020899584 521691095 /nfs/dbraw/zinc/69/10/95/521691095.db2.gz MVDQECAKNFDGCR-UHFFFAOYSA-N 0 0 444.560 4.580 50 0 IJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)C=Cc3ccccc3)cc2)C(C(=O)OCC)=C1C ZINC000035710118 521700580 /nfs/dbraw/zinc/70/05/80/521700580.db2.gz CRZIWNFWAYIRJG-VLSFKVKESA-N 0 0 447.535 4.652 50 0 IJAARN CCNC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000035978257 521739358 /nfs/dbraw/zinc/73/93/58/521739358.db2.gz IZLDABRCIGYGSV-UHFFFAOYSA-N 0 0 440.519 4.544 50 0 IJAARN CCNC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000035946350 521739479 /nfs/dbraw/zinc/73/94/79/521739479.db2.gz PTSFBZCHOJTDIE-UHFFFAOYSA-N 0 0 440.563 4.752 50 0 IJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000035978540 521739517 /nfs/dbraw/zinc/73/95/17/521739517.db2.gz NVLMKQIDBARFDC-UHFFFAOYSA-N 0 0 434.540 4.923 50 0 IJAARN COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000037385543 521751505 /nfs/dbraw/zinc/75/15/05/521751505.db2.gz OCIGCWZOXSLNKP-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN CCc1cccc(NC(=O)c2nc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000021727625 521769957 /nfs/dbraw/zinc/76/99/57/521769957.db2.gz KLOWQEVMZHXYLD-UHFFFAOYSA-N 0 0 441.413 4.633 50 0 IJAARN COC(=O)c1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)oc1C ZINC000023936903 521864052 /nfs/dbraw/zinc/86/40/52/521864052.db2.gz NDBMCKUFJASPAU-UHFFFAOYSA-N 0 0 434.517 4.983 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc(OC)c1OC ZINC000022463218 521911340 /nfs/dbraw/zinc/91/13/40/521911340.db2.gz MIMHYZOJEJVWJY-UHFFFAOYSA-N 0 0 425.485 4.804 50 0 IJAARN COC(=O)c1ccc(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)o1 ZINC000012645508 522043737 /nfs/dbraw/zinc/04/37/37/522043737.db2.gz YYCPESKBQXOOFX-NTCAYCPXSA-N 0 0 442.471 4.984 50 0 IJAARN COc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc(Cl)c1OC ZINC000012857283 522098382 /nfs/dbraw/zinc/09/83/82/522098382.db2.gz PASJWCJHZXCIMY-UHFFFAOYSA-N 0 0 443.927 4.596 50 0 IJAARN CC[C@@H](C)N1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021868882 522110734 /nfs/dbraw/zinc/11/07/34/522110734.db2.gz SPRJAQGUDIPPBF-XHCCPWGMSA-N 0 0 446.595 4.812 50 0 IJAARN COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c(C)c1 ZINC000012796918 522112672 /nfs/dbraw/zinc/11/26/72/522112672.db2.gz UZBGGGFITGTTAS-LLVKDONJSA-N 0 0 426.694 4.604 50 0 IJAARN CCc1nc(-c2cccc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)c2)no1 ZINC000035539596 522147687 /nfs/dbraw/zinc/14/76/87/522147687.db2.gz KXIHCPUMEAAYRQ-UHFFFAOYSA-N 0 0 447.516 4.525 50 0 IJAARN COC(=O)c1cccc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)c1 ZINC000012528643 522219994 /nfs/dbraw/zinc/21/99/94/522219994.db2.gz JYUXCKKJLNWERT-SFHVURJKSA-N 0 0 436.581 4.893 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035928522 522220607 /nfs/dbraw/zinc/22/06/07/522220607.db2.gz JUKGPFQBOFHCNO-DEOSSOPVSA-N 0 0 435.524 4.923 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O ZINC000012274616 522282491 /nfs/dbraw/zinc/28/24/91/522282491.db2.gz DSKIWVJAHXRBSE-NRFANRHFSA-N 0 0 435.863 4.833 50 0 IJAARN COc1cc(C2CC(=O)N(c3ccccn3)C(=O)C2)ccc1OCc1ccccc1Cl ZINC000012419538 522307779 /nfs/dbraw/zinc/30/77/79/522307779.db2.gz ZHVMAJBUEGJSOF-UHFFFAOYSA-N 0 0 436.895 4.760 50 0 IJAARN COC(=O)c1cn(C)c(-c2ccc(NC(=O)c3cccc4ccccc43)cc2)c1C(=O)OC ZINC000040105197 522308247 /nfs/dbraw/zinc/30/82/47/522308247.db2.gz DPJQDQIQFRWNDH-UHFFFAOYSA-N 0 0 442.471 4.671 50 0 IJAARN COc1cc(CNC(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1OC(F)F ZINC000022878450 522415294 /nfs/dbraw/zinc/41/52/94/522415294.db2.gz LDMUEBRCHIWGQA-UHFFFAOYSA-N 0 0 433.499 4.629 50 0 IJAARN CC[C@@H](C)c1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C(C)C)cc1 ZINC000012799568 522431763 /nfs/dbraw/zinc/43/17/63/522431763.db2.gz FZTYMRLYQJHFSV-MWTRTKDXSA-N 0 0 432.586 4.843 50 0 IJAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)Nc2ccccc2)n1 ZINC000036003081 522442555 /nfs/dbraw/zinc/44/25/55/522442555.db2.gz RMPQMCZGEHHDSL-QGZVFWFLSA-N 0 0 429.528 4.563 50 0 IJAARN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(C)=O ZINC000035972625 522637106 /nfs/dbraw/zinc/63/71/06/522637106.db2.gz YSQPAWQUVOYEHF-QFIPXVFZSA-N 0 0 437.515 4.894 50 0 IJAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000020982964 522709891 /nfs/dbraw/zinc/70/98/91/522709891.db2.gz VZHUZSCWOLLJSG-UHFFFAOYSA-N 0 0 436.562 4.566 50 0 IJAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000035946157 522784508 /nfs/dbraw/zinc/78/45/08/522784508.db2.gz SKGXQUKLYGFOKB-IBGZPJMESA-N 0 0 439.600 4.864 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccccc1F ZINC000021935867 522913664 /nfs/dbraw/zinc/91/36/64/522913664.db2.gz NCNOEDRBSONFSS-OALUTQOASA-N 0 0 438.528 4.591 50 0 IJAARN COc1cc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccccc1 ZINC000012419500 522925980 /nfs/dbraw/zinc/92/59/80/522925980.db2.gz REJHMIJVIGGMNT-IBGZPJMESA-N 0 0 427.456 4.557 50 0 IJAARN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(N(C)C)cc2)ccc1O ZINC000020745740 522934356 /nfs/dbraw/zinc/93/43/56/522934356.db2.gz LPBOQPXVLDXBSF-RUZDIDTESA-N 0 0 440.503 4.607 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccccc1F ZINC000012419603 522961080 /nfs/dbraw/zinc/96/10/80/522961080.db2.gz SWQRRTWIACOENI-GOSISDBHSA-N 0 0 445.446 4.696 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000035454936 523029427 /nfs/dbraw/zinc/02/94/27/523029427.db2.gz GVXKEZJGYHTEMS-IBGZPJMESA-N 0 0 446.613 4.937 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccc(C)s3)nc3onc(C)c31)CC2 ZINC000012858310 523029722 /nfs/dbraw/zinc/02/97/22/523029722.db2.gz LCYZMRSGVHCNLZ-UHFFFAOYSA-N 0 0 449.532 4.784 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CCCC1)N(Cc1ccc(C)cc1)CC2 ZINC000036042957 523047936 /nfs/dbraw/zinc/04/79/36/523047936.db2.gz BKNIKJMIFLJZRD-BCHFMIIMSA-N 0 0 436.596 4.807 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000012751755 523052461 /nfs/dbraw/zinc/05/24/61/523052461.db2.gz RNKFJNRVFNETMU-HSZRJFAPSA-N 0 0 444.503 4.630 50 0 IJAARN COc1ccc(-c2cc(C(=O)N3CC(=O)Nc4ccccc43)c3ccccc3n2)cc1OC ZINC000022064212 523093145 /nfs/dbraw/zinc/09/31/45/523093145.db2.gz LMOOUPAFBIQPFV-UHFFFAOYSA-N 0 0 439.471 4.518 50 0 IJAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)no2)cc1OC ZINC000036019173 523109041 /nfs/dbraw/zinc/10/90/41/523109041.db2.gz KOETVPOXLMRYKB-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)cc1Br ZINC000017195357 523168328 /nfs/dbraw/zinc/16/83/28/523168328.db2.gz GASHJFHUQQUOAC-UHFFFAOYSA-N 0 0 433.327 4.907 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)n2)c(OC)c1 ZINC000012748343 523171118 /nfs/dbraw/zinc/17/11/18/523171118.db2.gz SNLGNACKGPEHLU-UHFFFAOYSA-N 0 0 439.493 4.578 50 0 IJAARN COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000016189812 523171952 /nfs/dbraw/zinc/17/19/52/523171952.db2.gz JEZAKBZOQFAXHY-MDWZMJQESA-N 0 0 425.940 4.762 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc2n1CCCCC2 ZINC000009450701 523192589 /nfs/dbraw/zinc/19/25/89/523192589.db2.gz BMSVGDBLPJAGBB-UHFFFAOYSA-N 0 0 430.961 4.669 50 0 IJAARN COc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)Nc4ccccc4)n32)cc1 ZINC000021727092 523231761 /nfs/dbraw/zinc/23/17/61/523231761.db2.gz SEQBBKSGOGAKJU-UHFFFAOYSA-N 0 0 441.516 4.684 50 0 IJAARN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000033116527 523285430 /nfs/dbraw/zinc/28/54/30/523285430.db2.gz RRGNTXPDTBAPCK-UHFFFAOYSA-N 0 0 441.503 4.920 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(CCOc2ccccc2)C1=O ZINC000035909110 523419707 /nfs/dbraw/zinc/41/97/07/523419707.db2.gz OSBIZQGVUVHOHZ-HSZRJFAPSA-N 0 0 448.494 4.657 50 0 IJAARN CCn1cc2nc(SCc3ccccc3F)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020582055 523488688 /nfs/dbraw/zinc/48/86/88/523488688.db2.gz APKJWTQOJZJERI-UHFFFAOYSA-N 0 0 428.920 4.746 50 0 IJAARN COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000012444201 523589559 /nfs/dbraw/zinc/58/95/59/523589559.db2.gz FKHUBTCANSNTKX-UHFFFAOYSA-N 0 0 432.954 4.961 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909350 523607043 /nfs/dbraw/zinc/60/70/43/523607043.db2.gz PIKWNFZSHDDNDL-FQEVSTJZSA-N 0 0 438.524 4.882 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(CCOc2ccccc2)C1=O ZINC000035909111 523607493 /nfs/dbraw/zinc/60/74/93/523607493.db2.gz OSBIZQGVUVHOHZ-QHCPKHFHSA-N 0 0 448.494 4.657 50 0 IJAARN COc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1 ZINC000035765026 523610747 /nfs/dbraw/zinc/61/07/47/523610747.db2.gz QXRUUJDPXPNVFZ-UHFFFAOYSA-N 0 0 448.563 4.658 50 0 IJAARN COc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000012500235 523745311 /nfs/dbraw/zinc/74/53/11/523745311.db2.gz LPSAHBWHPUBMCE-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1=O ZINC000012567486 523747375 /nfs/dbraw/zinc/74/73/75/523747375.db2.gz ZZZIIJIFNMFRQI-VWLOTQADSA-N 0 0 436.483 4.721 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000035887542 523763703 /nfs/dbraw/zinc/76/37/03/523763703.db2.gz ZZHMSQLWVKXHAH-DEOSSOPVSA-N 0 0 446.570 4.666 50 0 IJAARN COc1ccc(C(=O)c2sc(CCn3ccc(C)n3)nc2-c2ccc(OC)cc2)cc1 ZINC000020605991 523780915 /nfs/dbraw/zinc/78/09/15/523780915.db2.gz QGFSVOXQNKIJSJ-UHFFFAOYSA-N 0 0 433.533 4.806 50 0 IJAARN COc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021158483 523782124 /nfs/dbraw/zinc/78/21/24/523782124.db2.gz KMURHFTZULYSSJ-UHFFFAOYSA-N 0 0 437.543 4.797 50 0 IJAARN CCc1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000036028535 523788307 /nfs/dbraw/zinc/78/83/07/523788307.db2.gz RMOJMXYJTCCBHR-UHFFFAOYSA-N 0 0 438.597 4.947 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1)n1c2ccccc2nc(-c2ccccc2NC(C)=O)c1=O ZINC000021789417 523804900 /nfs/dbraw/zinc/80/49/00/523804900.db2.gz KAWMHCYJRHVDBX-JOCHJYFZSA-N 0 0 440.503 4.612 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(Cl)ccc2O)C12CCCCC2 ZINC000020718794 523810595 /nfs/dbraw/zinc/81/05/95/523810595.db2.gz BDWDEJFMDDSXFJ-OAQYLSRUSA-N 0 0 442.943 4.573 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000012484682 523867411 /nfs/dbraw/zinc/86/74/11/523867411.db2.gz FXYJTQUNBYXVFD-UHFFFAOYSA-N 0 0 441.556 4.630 50 0 IJAARN CCc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858767 523924180 /nfs/dbraw/zinc/92/41/80/523924180.db2.gz ZBWSSBOHSXEJKU-MHZLTWQESA-N 0 0 431.580 4.781 50 0 IJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)NC(C)(C)C ZINC000035770368 523942561 /nfs/dbraw/zinc/94/25/61/523942561.db2.gz GDBFVUNFEUXJHR-INIZCTEOSA-N 0 0 436.549 4.702 50 0 IJAARN CCc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000020604255 523967451 /nfs/dbraw/zinc/96/74/51/523967451.db2.gz QGJRPLBCPGNJHV-UHFFFAOYSA-N 0 0 427.957 4.632 50 0 IJAARN COc1ccc(CN(C2CCCC2)S(=O)(=O)c2c(F)cccc2F)cc1OC(C)C ZINC000012204035 524010780 /nfs/dbraw/zinc/01/07/80/524010780.db2.gz AYURENGFRMPBDR-UHFFFAOYSA-N 0 0 439.524 4.894 50 0 IJAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021855654 524021056 /nfs/dbraw/zinc/02/10/56/524021056.db2.gz DRLLSCRNFDVQPQ-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)c2ccc(Cl)cc2)c1C ZINC000036005113 524022859 /nfs/dbraw/zinc/02/28/59/524022859.db2.gz SAQFHGOWWNQNPE-MRXNPFEDSA-N 0 0 432.948 4.831 50 0 IJAARN CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccs2)cc1 ZINC000021523313 524041261 /nfs/dbraw/zinc/04/12/61/524041261.db2.gz VGCLYCNZTKHSAR-HSZRJFAPSA-N 0 0 448.592 4.938 50 0 IJAARN COc1ccc(CN2[C@@H](c3cccc(Cl)c3F)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986935 524043481 /nfs/dbraw/zinc/04/34/81/524043481.db2.gz OHSWYPSLWTYVRD-NRFANRHFSA-N 0 0 432.904 4.803 50 0 IJAARN CCc1ccc2c(c1)[C@]1(Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN31)C(=O)N2 ZINC000012130233 524059591 /nfs/dbraw/zinc/05/95/91/524059591.db2.gz STOVDFZFUJDFKB-GJZUVCINSA-N 0 0 443.478 4.745 50 0 IJAARN CCc1ccc2nc(C)cc(C(=O)N3CCC4(C[C@H]4C(=O)Nc4ccccc4)CC3)c2c1 ZINC000012162660 524060122 /nfs/dbraw/zinc/06/01/22/524060122.db2.gz ZYTDXPGOQYJZJH-QHCPKHFHSA-N 0 0 427.548 4.987 50 0 IJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)nn2)c1 ZINC000035398433 524107957 /nfs/dbraw/zinc/10/79/57/524107957.db2.gz LQYDWQXNPVTGHL-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccc(C)c(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000021657662 524119486 /nfs/dbraw/zinc/11/94/86/524119486.db2.gz SWIHORJDGXAUFW-UHFFFAOYSA-N 0 0 428.460 4.917 50 0 IJAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060407 524120373 /nfs/dbraw/zinc/12/03/73/524120373.db2.gz DHQJPGCGDPWFKT-UIOOFZCWSA-N 0 0 442.559 4.518 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021864822 524141840 /nfs/dbraw/zinc/14/18/40/524141840.db2.gz ZHQVPZVOIQSRBO-WXJXEWBDSA-N 0 0 445.563 4.858 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033273074 524144396 /nfs/dbraw/zinc/14/43/96/524144396.db2.gz PCGYAIACSBYIKG-UHFFFAOYSA-N 0 0 435.553 4.819 50 0 IJAARN C[C@@H]1CCCC[C@H]1N1CC(=O)N(Cc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000020678412 524162244 /nfs/dbraw/zinc/16/22/44/524162244.db2.gz IFAMPEKMURVOMQ-VZPUWSDOSA-N 0 0 428.935 4.970 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012604368 524186149 /nfs/dbraw/zinc/18/61/49/524186149.db2.gz RXKJABFNAGNCAN-GJZGRUSLSA-N 0 0 435.446 4.790 50 0 IJAARN C[C@@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)C1 ZINC000021162766 524187772 /nfs/dbraw/zinc/18/77/72/524187772.db2.gz OJEQHEKZAPERQZ-LJQANCHMSA-N 0 0 434.559 4.699 50 0 IJAARN Cc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)c(C)s1 ZINC000035511546 524199201 /nfs/dbraw/zinc/19/92/01/524199201.db2.gz QMADSJMKGGNDKE-MRXNPFEDSA-N 0 0 444.354 4.930 50 0 IJAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc(C4CC4)sc3n2)c1 ZINC000020983104 524221116 /nfs/dbraw/zinc/22/11/16/524221116.db2.gz KAOPARCNECVKHR-UHFFFAOYSA-N 0 0 448.573 4.881 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020993370 524221325 /nfs/dbraw/zinc/22/13/25/524221325.db2.gz IJIKEJMKOBVCHH-UHFFFAOYSA-N 0 0 439.924 4.884 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(C)c(OC)c2)C1 ZINC000015073616 524222437 /nfs/dbraw/zinc/22/24/37/524222437.db2.gz KMFCZEGGLBRDQW-QGZVFWFLSA-N 0 0 444.959 4.937 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2 ZINC000012621042 524225278 /nfs/dbraw/zinc/22/52/78/524225278.db2.gz DRENJMZPIAYYEB-CQSZACIVSA-N 0 0 438.911 4.817 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000035376393 524236323 /nfs/dbraw/zinc/23/63/23/524236323.db2.gz AIAXRIXWYSCFQG-UHFFFAOYSA-N 0 0 435.915 4.890 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 ZINC000012342145 524240573 /nfs/dbraw/zinc/24/05/73/524240573.db2.gz JQDMHYAOAUOWGM-UHFFFAOYSA-N 0 0 425.897 4.728 50 0 IJAARN C[C@H](CCc1ccco1)N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977934 524255681 /nfs/dbraw/zinc/25/56/81/524255681.db2.gz NHFLPDAIUHTCQM-LLVKDONJSA-N 0 0 434.461 4.657 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(OC)c(F)c2)cc1 ZINC000023642699 524256731 /nfs/dbraw/zinc/25/67/31/524256731.db2.gz YSQYIGZTOUDYLM-UHFFFAOYSA-N 0 0 436.508 4.893 50 0 IJAARN COc1ccccc1-c1cc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)no1 ZINC000036012497 524267901 /nfs/dbraw/zinc/26/79/01/524267901.db2.gz SUWBVQDWNTUSNE-UHFFFAOYSA-N 0 0 432.432 4.515 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCC[C@@H](C)C3)sc21 ZINC000035533584 524282010 /nfs/dbraw/zinc/28/20/10/524282010.db2.gz UFNCKMPHDPGCLJ-CYBMUJFWSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cc(C)c(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c(C)c1 ZINC000033293186 524292834 /nfs/dbraw/zinc/29/28/34/524292834.db2.gz GTIXWPFINWVVPX-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(C)c1 ZINC000012772365 524302960 /nfs/dbraw/zinc/30/29/60/524302960.db2.gz LETOJIGULPNSIO-INIZCTEOSA-N 0 0 433.537 4.566 50 0 IJAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCc4cccs4)cc3)c2n1 ZINC000020992893 524341704 /nfs/dbraw/zinc/34/17/04/524341704.db2.gz BKRKKJJKZQZFDM-UHFFFAOYSA-N 0 0 441.560 4.879 50 0 IJAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCCc4ccccc4)cc3)c2n1 ZINC000020992867 524342037 /nfs/dbraw/zinc/34/20/37/524342037.db2.gz WRXOZBMPMCVBRM-UHFFFAOYSA-N 0 0 449.558 4.860 50 0 IJAARN COc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000012422080 524371824 /nfs/dbraw/zinc/37/18/24/524371824.db2.gz VZANZPJMZJALSI-HSZRJFAPSA-N 0 0 426.451 4.769 50 0 IJAARN Cc1cccc(CN2CCCN(c3cccc(C(=O)Nc4ccc(CCO)cc4)c3)C2=O)c1 ZINC000035180974 524394487 /nfs/dbraw/zinc/39/44/87/524394487.db2.gz FXOZLJXASREWBB-UHFFFAOYSA-N 0 0 443.547 4.614 50 0 IJAARN COc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000020902747 524398072 /nfs/dbraw/zinc/39/80/72/524398072.db2.gz CCXQSRUNMUIOEV-SANMLTNESA-N 0 0 431.536 4.518 50 0 IJAARN COc1ccc(N2C(=S)N[C@@H](c3ccc(C)cc3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000012782336 524401773 /nfs/dbraw/zinc/40/17/73/524401773.db2.gz ZJOUBUMVVMZZLU-QFIPXVFZSA-N 0 0 440.565 4.674 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021810960 524411666 /nfs/dbraw/zinc/41/16/66/524411666.db2.gz BJHKPCUZFOYGBX-GTIOVZTQSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113486 524426011 /nfs/dbraw/zinc/42/60/11/524426011.db2.gz AMXQSKUAKNFQKQ-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526480 524432999 /nfs/dbraw/zinc/43/29/99/524432999.db2.gz JIYMJEIQJIQAOR-SANMLTNESA-N 0 0 433.552 4.796 50 0 IJAARN C[C@H](CNC(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000012768402 524447632 /nfs/dbraw/zinc/44/76/32/524447632.db2.gz YZJQCSBHEOAROB-KGLIPLIRSA-N 0 0 446.370 4.900 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(COc3cccc(C)c3)n2)cc1 ZINC000033325061 524503751 /nfs/dbraw/zinc/50/37/51/524503751.db2.gz RFOUVDHCJRAYOI-UHFFFAOYSA-N 0 0 445.475 4.650 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000009666584 524509416 /nfs/dbraw/zinc/50/94/16/524509416.db2.gz OHWFBBMUKIOCKI-UHFFFAOYSA-N 0 0 426.545 4.923 50 0 IJAARN COc1ccccc1Cn1c2nnc(SCc3ccccc3C)n2c2ccsc2c1=O ZINC000035529460 524520205 /nfs/dbraw/zinc/52/02/05/524520205.db2.gz IVQLHLYJVJWNLI-UHFFFAOYSA-N 0 0 448.573 4.763 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CCN1c2cccnc2Sc2ccccc2C1=O ZINC000020512194 524530022 /nfs/dbraw/zinc/53/00/22/524530022.db2.gz HLGQDEVSQYGPMH-SFHVURJKSA-N 0 0 431.561 4.721 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1 ZINC000020678524 524531374 /nfs/dbraw/zinc/53/13/74/524531374.db2.gz DDXOWYUFTDZQCI-IBGZPJMESA-N 0 0 443.682 4.895 50 0 IJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cccc(Br)c3)C2)cc1 ZINC000035536992 524552613 /nfs/dbraw/zinc/55/26/13/524552613.db2.gz XZOQOXFQGZESFZ-JOCHJYFZSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC ZINC000023442589 524557058 /nfs/dbraw/zinc/55/70/58/524557058.db2.gz RKGVZIRTMSCHTG-VWLOTQADSA-N 0 0 448.519 4.901 50 0 IJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccccc2F)n1 ZINC000021523677 524575562 /nfs/dbraw/zinc/57/55/62/524575562.db2.gz JDTZTQQRILQIRQ-JOCHJYFZSA-N 0 0 445.523 4.860 50 0 IJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3F)n2)c1 ZINC000033325006 524599027 /nfs/dbraw/zinc/59/90/27/524599027.db2.gz VVVFTFSSDCZWJK-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012736062 524671414 /nfs/dbraw/zinc/67/14/14/524671414.db2.gz BYDCWFKLOZJWCI-UHFFFAOYSA-N 0 0 440.503 4.818 50 0 IJAARN COc1ccccc1OCCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000015381291 524676787 /nfs/dbraw/zinc/67/67/87/524676787.db2.gz CHDXEGPZQSYPJM-UHFFFAOYSA-N 0 0 429.472 4.586 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccc(-n4cccc4)c3)c2)cc1 ZINC000012541977 524697149 /nfs/dbraw/zinc/69/71/49/524697149.db2.gz CEMHBVWCLXWOJA-UHFFFAOYSA-N 0 0 447.516 4.539 50 0 IJAARN COc1ccc(Nc2nnc(SCc3cc(=O)oc4cc(OC)ccc34)s2)cc1 ZINC000016051223 524722580 /nfs/dbraw/zinc/72/25/80/524722580.db2.gz PPXFZXBKIKEMCE-UHFFFAOYSA-N 0 0 427.507 4.698 50 0 IJAARN Cc1cccc(OCCCOc2ccccc2/C=c2/sc3nc4ccccc4n3c2=O)c1 ZINC000012285150 524736047 /nfs/dbraw/zinc/73/60/47/524736047.db2.gz VFWFYIXXUXWPNS-JJIBRWJFSA-N 0 0 442.540 4.613 50 0 IJAARN COc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000036051631 524816522 /nfs/dbraw/zinc/81/65/22/524816522.db2.gz WCHCOENKXQEHJE-DHIUTWEWSA-N 0 0 448.950 4.521 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)c1 ZINC000015822066 524842409 /nfs/dbraw/zinc/84/24/09/524842409.db2.gz RIWAYQLKALVXLU-HXUWFJFHSA-N 0 0 440.297 4.632 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021915104 524867046 /nfs/dbraw/zinc/86/70/46/524867046.db2.gz MFJVKQLDOORGLX-UHFFFAOYSA-N 0 0 445.519 4.793 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021851752 524928603 /nfs/dbraw/zinc/92/86/03/524928603.db2.gz MZTXAMDBQXLCOO-SANMLTNESA-N 0 0 446.551 4.710 50 0 IJAARN Cc1cccc2sc(N(CCN3CCOCC3)C(=O)Cc3cccc4ccccc43)nc21 ZINC000020742617 525000150 /nfs/dbraw/zinc/00/01/50/525000150.db2.gz PTIZKCPIXWSOLE-UHFFFAOYSA-N 0 0 445.588 4.666 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCC2)cc1 ZINC000012654734 525015278 /nfs/dbraw/zinc/01/52/78/525015278.db2.gz LYPJNIXSBVVFFZ-UHFFFAOYSA-N 0 0 447.944 4.532 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)nnc1-c1cccnc1 ZINC000021737149 525027257 /nfs/dbraw/zinc/02/72/57/525027257.db2.gz VLDMGPQTQANIPE-ZIFCJYIRSA-N 0 0 435.597 4.623 50 0 IJAARN C[C@@H](NC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000020465980 525079765 /nfs/dbraw/zinc/07/97/65/525079765.db2.gz KKVXVOLYVOJDHD-LJQCHSNASA-N 0 0 430.976 4.567 50 0 IJAARN C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 ZINC000013049389 525079824 /nfs/dbraw/zinc/07/98/24/525079824.db2.gz JQNBYKBOGUOJBS-AWEZNQCLSA-N 0 0 442.313 4.855 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000033050585 525080440 /nfs/dbraw/zinc/08/04/40/525080440.db2.gz AIIWBXBGVYMWGV-UHFFFAOYSA-N 0 0 448.523 4.853 50 0 IJAARN C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Br ZINC000012777411 525081225 /nfs/dbraw/zinc/08/12/25/525081225.db2.gz DGSKDIXTOQMYIN-AWEZNQCLSA-N 0 0 442.313 4.855 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035399934 525099787 /nfs/dbraw/zinc/09/97/87/525099787.db2.gz WASZBYGNVDXLGP-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000020903024 525197609 /nfs/dbraw/zinc/19/76/09/525197609.db2.gz MQBMSQOGHKJZHX-RUZDIDTESA-N 0 0 435.955 4.768 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000021855739 525198257 /nfs/dbraw/zinc/19/82/57/525198257.db2.gz ZFCXWZMKGGHLJL-AREMUKBSSA-N 0 0 433.527 4.644 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccccc1 ZINC000021863038 525198805 /nfs/dbraw/zinc/19/88/05/525198805.db2.gz MUWZBSNVFZYGRZ-HHHXNRCGSA-N 0 0 445.563 4.654 50 0 IJAARN Cc1ccccc1Cn1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccccc1Cl ZINC000034693592 525211798 /nfs/dbraw/zinc/21/17/98/525211798.db2.gz ZFOTWHNLVRRORB-UHFFFAOYSA-N 0 0 448.954 4.864 50 0 IJAARN C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 ZINC000013049391 525215239 /nfs/dbraw/zinc/21/52/39/525215239.db2.gz JQNBYKBOGUOJBS-CQSZACIVSA-N 0 0 442.313 4.855 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000012763965 525245645 /nfs/dbraw/zinc/24/56/45/525245645.db2.gz DNPFKCHCJMQFLD-DEOSSOPVSA-N 0 0 430.504 4.581 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1OC ZINC000012495550 525270505 /nfs/dbraw/zinc/27/05/05/525270505.db2.gz YYVUZJGYXZNHJB-FNZWTVRRSA-N 0 0 444.487 4.717 50 0 IJAARN C[C@@H](NC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035981580 525274546 /nfs/dbraw/zinc/27/45/46/525274546.db2.gz GHKUNTWXGFICKW-XZYNZQCKSA-N 0 0 440.971 4.965 50 0 IJAARN Cc1ccc(NCc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000020576317 525284949 /nfs/dbraw/zinc/28/49/49/525284949.db2.gz LQUJKYBPMGKSRA-UHFFFAOYSA-N 0 0 444.608 4.572 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Sc1n[nH]c(-c2ccccc2Br)n1)c1ccc(F)cc1 ZINC000012568459 525285230 /nfs/dbraw/zinc/28/52/30/525285230.db2.gz IDRVSLLHQJFKLP-NEPJUHHUSA-N 0 0 449.349 4.731 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(Cl)c3)ccc2C)cc1 ZINC000012637051 525297240 /nfs/dbraw/zinc/29/72/40/525297240.db2.gz UHLSHNZNWCCVSG-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN Cc1ccc(Nc2nn(CN3CCC(NC(=O)c4ccccc4)CC3)c(=S)s2)cc1 ZINC000024528254 525329417 /nfs/dbraw/zinc/32/94/17/525329417.db2.gz LORUSZRBDURTBG-UHFFFAOYSA-N 0 0 439.610 4.578 50 0 IJAARN COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2c[nH]c3ccccc32)cc1 ZINC000012806558 525356740 /nfs/dbraw/zinc/35/67/40/525356740.db2.gz ZAKRIQPHAIPLHM-NRFANRHFSA-N 0 0 429.520 4.886 50 0 IJAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)N[C@H](C)c4nc5ccccc5[nH]4)o3)cc2c1C ZINC000021150194 525419947 /nfs/dbraw/zinc/41/99/47/525419947.db2.gz WNDGIBGCZSOVJB-CQSZACIVSA-N 0 0 446.536 4.681 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000012468574 525427932 /nfs/dbraw/zinc/42/79/32/525427932.db2.gz IBTVECZJKBMLHS-RTBURBONSA-N 0 0 431.521 4.747 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805690 525430258 /nfs/dbraw/zinc/43/02/58/525430258.db2.gz QJINGQGEGPRCJG-VWLOTQADSA-N 0 0 444.510 4.684 50 0 IJAARN C[C@H](NCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3)c1nccs1 ZINC000014989971 525434386 /nfs/dbraw/zinc/43/43/86/525434386.db2.gz JRNBMCSPHULFMX-AWEZNQCLSA-N 0 0 437.496 4.989 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)NCCC(C)C)CCC(=O)N2c2ccc(C)cc2)cc1OC ZINC000012766922 525436018 /nfs/dbraw/zinc/43/60/18/525436018.db2.gz JHAPTVLKEOWTNI-BWKNWUBXSA-N 0 0 438.568 4.659 50 0 IJAARN Cc1cccn2c(=O)cc(COc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)nc12 ZINC000033067871 525460972 /nfs/dbraw/zinc/46/09/72/525460972.db2.gz KXFBSSFAZVOHGD-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)COc1ccccc1)[C@@H]3c1ccc(F)cc1 ZINC000021779953 525480694 /nfs/dbraw/zinc/48/06/94/525480694.db2.gz XLGOUUFIUVUVRS-AREMUKBSSA-N 0 0 430.479 4.869 50 0 IJAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000012773118 525506845 /nfs/dbraw/zinc/50/68/45/525506845.db2.gz JXCXINXZNOJOJF-LBPRGKRZSA-N 0 0 429.851 4.584 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)Cc3cccc(Cl)c3)c(=O)c12 ZINC000012766244 525508567 /nfs/dbraw/zinc/50/85/67/525508567.db2.gz UINJGSPQHPVNNM-UHFFFAOYSA-N 0 0 437.952 4.745 50 0 IJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035684858 525508706 /nfs/dbraw/zinc/50/87/06/525508706.db2.gz ZPSQVDLRZKQAFA-MRXNPFEDSA-N 0 0 430.386 4.929 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1cccc(C)c1 ZINC000020848537 525512638 /nfs/dbraw/zinc/51/26/38/525512638.db2.gz QIBWLCFIBCDAQN-UHFFFAOYSA-N 0 0 432.553 4.952 50 0 IJAARN Cc1cc([C@H]2CCCN2C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)on1 ZINC000021718471 525545256 /nfs/dbraw/zinc/54/52/56/525545256.db2.gz PXUWJCNGLQUBSI-CQSZACIVSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1cc2c(cc1C)n(CC(=O)Nc1ccccc1Cl)cc(C(=O)c1ccncc1)c2=O ZINC000035535156 525605595 /nfs/dbraw/zinc/60/55/95/525605595.db2.gz GRDFXODZPICGFX-UHFFFAOYSA-N 0 0 445.906 4.536 50 0 IJAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000018086371 525608537 /nfs/dbraw/zinc/60/85/37/525608537.db2.gz IUQOXARDQXRXGC-UHFFFAOYSA-N 0 0 428.467 4.828 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)N(Cc1ccco1)C1CCCC1)[nH]c1c2C(=O)CCC1 ZINC000020990334 525614636 /nfs/dbraw/zinc/61/46/36/525614636.db2.gz TWMQGNIQIMYYBK-UHFFFAOYSA-N 0 0 426.538 4.722 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)cc1 ZINC000035910252 525615069 /nfs/dbraw/zinc/61/50/69/525615069.db2.gz MOZALBPPNGQJAI-QFIPXVFZSA-N 0 0 442.537 4.714 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCCc2ccccc2)C3=O)o1 ZINC000021810757 525618485 /nfs/dbraw/zinc/61/84/85/525618485.db2.gz RYQBQUCYJXJMFK-HHHXNRCGSA-N 0 0 447.579 4.839 50 0 IJAARN COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccc2c1 ZINC000012781680 525625565 /nfs/dbraw/zinc/62/55/65/525625565.db2.gz NXBZGOOWTXZSDO-UHFFFAOYSA-N 0 0 431.319 4.544 50 0 IJAARN Cc1c(C(=O)NCc2ccccc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000012274482 525630493 /nfs/dbraw/zinc/63/04/93/525630493.db2.gz CNOBQAUTBCCCJM-UHFFFAOYSA-N 0 0 443.894 4.967 50 0 IJAARN COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cccc(Br)c4)C3=O)ccc2c1 ZINC000012575714 525641991 /nfs/dbraw/zinc/64/19/91/525641991.db2.gz FTHANNKVYMDOLM-QFIPXVFZSA-N 0 0 439.309 4.578 50 0 IJAARN Cc1c(C(=O)N[C@H](c2ccccn2)C(F)(F)F)sc2ncnc(NCc3ccco3)c12 ZINC000012247354 525644488 /nfs/dbraw/zinc/64/44/88/525644488.db2.gz OXOCEFOIQBEWMS-MRXNPFEDSA-N 0 0 447.442 4.633 50 0 IJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4OC)c3)cn2n1 ZINC000012441291 525654931 /nfs/dbraw/zinc/65/49/31/525654931.db2.gz IECJEJRAJLEACQ-UHFFFAOYSA-N 0 0 443.290 4.973 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)COc4c(C)cccc4C)cc3)cc(=O)n2o1 ZINC000035429516 525674132 /nfs/dbraw/zinc/67/41/32/525674132.db2.gz LWIKKRWRPRYUAW-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)cc(=O)n2o1 ZINC000041089743 525675895 /nfs/dbraw/zinc/67/58/95/525675895.db2.gz LOTCULZHRCKUQJ-UHFFFAOYSA-N 0 0 443.887 4.933 50 0 IJAARN Cc1cc2nn(CN3CCN(Cc4ccc(Cl)cc4)CC3)c(=S)n2c2ccccc12 ZINC000022918049 525688608 /nfs/dbraw/zinc/68/86/08/525688608.db2.gz NDDBNQRSANBKEN-UHFFFAOYSA-N 0 0 438.000 4.756 50 0 IJAARN COc1cccc(-c2cc(C3=NN(C(C)=O)[C@@H](c4ccc(Cl)cc4Cl)O3)n[nH]2)c1 ZINC000021151738 525706045 /nfs/dbraw/zinc/70/60/45/525706045.db2.gz LKHJMVOEKSZJQS-HXUWFJFHSA-N 0 0 431.279 4.631 50 0 IJAARN COc1cccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)cs2)c1OC ZINC000012809582 525727376 /nfs/dbraw/zinc/72/73/76/525727376.db2.gz LUQCQNKITRRMMD-UHFFFAOYSA-N 0 0 439.566 4.712 50 0 IJAARN Cc1ccc(-c2cc3nc(S[C@H]4CCOC4=O)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000012807357 525740314 /nfs/dbraw/zinc/74/03/14/525740314.db2.gz LOBVWMJFPMXSHH-IBGZPJMESA-N 0 0 448.569 4.889 50 0 IJAARN COc1cccc(-n2c(C)nc3ccc(O[C@H]4CCc5ccccc5NC4=O)cc3c2=O)c1 ZINC000012296842 525747067 /nfs/dbraw/zinc/74/70/67/525747067.db2.gz YEJAZSGONZQRKK-DEOSSOPVSA-N 0 0 441.487 4.685 50 0 biogenic IJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000021533797 525749561 /nfs/dbraw/zinc/74/95/61/525749561.db2.gz JEEAUJYIOZWXCJ-AWEZNQCLSA-N 0 0 440.956 4.690 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)o2)cc1 ZINC000022357788 525768200 /nfs/dbraw/zinc/76/82/00/525768200.db2.gz PDMBKUSTTZIWEQ-UHFFFAOYSA-N 0 0 447.516 4.525 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CN(C)CC(=O)Nc3cccc(C)c3C)n2)cc1C ZINC000012819352 525782025 /nfs/dbraw/zinc/78/20/25/525782025.db2.gz STCMCUQOLRXIAP-UHFFFAOYSA-N 0 0 436.581 4.553 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4cccc(Cl)c4)c(=O)c23)cc1 ZINC000012778573 525788429 /nfs/dbraw/zinc/78/84/29/525788429.db2.gz SDYJGBRZGIGPSG-HNNXBMFYSA-N 0 0 437.952 4.964 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCc1ccc(Cl)cc1 ZINC000020903030 525790245 /nfs/dbraw/zinc/79/02/45/525790245.db2.gz AXHSJIVJXHQZKQ-SANMLTNESA-N 0 0 449.982 4.811 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1cccs1 ZINC000021863086 525792241 /nfs/dbraw/zinc/79/22/41/525792241.db2.gz WRZRQZKKPWSYEW-DEOSSOPVSA-N 0 0 437.565 4.673 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3Br)cs2)cc1 ZINC000012788008 525797324 /nfs/dbraw/zinc/79/73/24/525797324.db2.gz SRLIDCVBZCQIQL-UHFFFAOYSA-N 0 0 444.354 4.592 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)N[C@@H](C)CCc4ccccc4)CC3)n2)cc1 ZINC000035502364 525832196 /nfs/dbraw/zinc/83/21/96/525832196.db2.gz SONZCFLKVREDCE-NRFANRHFSA-N 0 0 428.580 4.806 50 0 IJAARN Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)C3)n2)cc1 ZINC000035483027 525835168 /nfs/dbraw/zinc/83/51/68/525835168.db2.gz IXYMJZQNQIQWEW-ISKFKSNPSA-N 0 0 426.564 4.862 50 0 IJAARN Cc1c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000012581170 525836293 /nfs/dbraw/zinc/83/62/93/525836293.db2.gz GEPVLIKAGCTPPL-UHFFFAOYSA-N 0 0 436.364 4.663 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@H](c3ccc(C)cc3)C2)c1 ZINC000035961931 525858542 /nfs/dbraw/zinc/85/85/42/525858542.db2.gz HQHDVKYOSFJPED-QHCPKHFHSA-N 0 0 435.568 4.576 50 0 IJAARN COc1cccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1OC ZINC000012857167 525878381 /nfs/dbraw/zinc/87/83/81/525878381.db2.gz GYNNXJAIFJJUBI-UHFFFAOYSA-N 0 0 444.575 4.570 50 0 IJAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CNC(=O)c1ccccc1Cl ZINC000035961818 525891136 /nfs/dbraw/zinc/89/11/36/525891136.db2.gz QISYXYFDZYVRKA-QGZVFWFLSA-N 0 0 443.981 4.879 50 0 IJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000012701645 525931674 /nfs/dbraw/zinc/93/16/74/525931674.db2.gz XRJMEOJEVJIKGD-OAQYLSRUSA-N 0 0 431.536 4.672 50 0 IJAARN Cc1ccc(-n2ncc3c2nc(C)nc3NC2CCC(NC(=O)C3CCCC3)CC2)c(C)c1 ZINC000036025898 525934087 /nfs/dbraw/zinc/93/40/87/525934087.db2.gz LUYLCHAMXUAHMV-UHFFFAOYSA-N 0 0 446.599 4.770 50 0 IJAARN CSc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000021647961 525949443 /nfs/dbraw/zinc/94/94/43/525949443.db2.gz CZAUAPHSSZBKIE-GOSISDBHSA-N 0 0 443.594 4.644 50 0 IJAARN CSc1ccc(CCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000020978064 525986095 /nfs/dbraw/zinc/98/60/95/525986095.db2.gz SYNWKDVOZYFOIV-UHFFFAOYSA-N 0 0 448.513 4.665 50 0 IJAARN C[C@@H](Sc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3)C(=O)Nc1ccccc1 ZINC000001856255 526003916 /nfs/dbraw/zinc/00/39/16/526003916.db2.gz QTKVEPVUVMSUCZ-LLVKDONJSA-N 0 0 430.624 4.961 50 0 IJAARN Cc1cc(-c2c(C)nc3c(OCc4ccc(F)cc4)cccn3c2=O)nn1-c1ccccc1 ZINC000035911284 526037248 /nfs/dbraw/zinc/03/72/48/526037248.db2.gz WXOYESAOKXQZCC-UHFFFAOYSA-N 0 0 440.478 4.882 50 0 IJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3c(F)cccc3F)ccc2OCC1=O ZINC000035909709 526058215 /nfs/dbraw/zinc/05/82/15/526058215.db2.gz YAIVENYVLDVKTC-AWEZNQCLSA-N 0 0 440.421 4.838 50 0 IJAARN CSc1cccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000024334908 526085974 /nfs/dbraw/zinc/08/59/74/526085974.db2.gz BREUEQJDCUEQAM-UHFFFAOYSA-N 0 0 446.557 4.711 50 0 IJAARN C[C@H](c1ccccc1)N(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000015731053 526094973 /nfs/dbraw/zinc/09/49/73/526094973.db2.gz DAXMTEDRXKHEIR-MRXNPFEDSA-N 0 0 442.562 4.666 50 0 IJAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1=O ZINC000012520385 526101136 /nfs/dbraw/zinc/10/11/36/526101136.db2.gz AHLHPASIHQNYMF-VQIMIIECSA-N 0 0 430.533 4.611 50 0 IJAARN COc1cccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)c1 ZINC000033050493 526107691 /nfs/dbraw/zinc/10/76/91/526107691.db2.gz DXRBCLMMBGZDBR-UHFFFAOYSA-N 0 0 435.524 4.987 50 0 IJAARN COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cc(F)cc(F)c4)c3c2=O)c1 ZINC000035372046 526110839 /nfs/dbraw/zinc/11/08/39/526110839.db2.gz MGEIQXMIAXRKQU-UHFFFAOYSA-N 0 0 449.432 4.874 50 0 IJAARN CSc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000021099994 526129274 /nfs/dbraw/zinc/12/92/74/526129274.db2.gz OJISWJOKVCQUGC-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021527547 526139624 /nfs/dbraw/zinc/13/96/24/526139624.db2.gz ONMJQISHKLHJCA-MHZLTWQESA-N 0 0 445.563 4.908 50 0 IJAARN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(Br)c2)c1 ZINC000012554477 526141781 /nfs/dbraw/zinc/14/17/81/526141781.db2.gz GSEWLSJDPKKIBR-FQEVSTJZSA-N 0 0 425.282 4.934 50 0 IJAARN Cc1ccc2c(c1)CCCN2C(=O)C1CCN(c2ccc(-c3ccccc3C)nn2)CC1 ZINC000022494130 526145439 /nfs/dbraw/zinc/14/54/39/526145439.db2.gz YUKZJQMZMPWGEJ-UHFFFAOYSA-N 0 0 426.564 4.956 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883313 526172958 /nfs/dbraw/zinc/17/29/58/526172958.db2.gz CXPJJNFAZNHXCH-UHFFFAOYSA-N 0 0 448.320 4.768 50 0 IJAARN COc1cccc(NC(=O)CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 ZINC000014914219 526173075 /nfs/dbraw/zinc/17/30/75/526173075.db2.gz ACNQRDOOWXYEDA-VWLOTQADSA-N 0 0 427.504 4.671 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2)cc1 ZINC000014300555 526196514 /nfs/dbraw/zinc/19/65/14/526196514.db2.gz BDESMKAQGPGHDE-UNMCSNQZSA-N 0 0 443.547 4.584 50 0 IJAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4F)C3=O)c2)c1 ZINC000035180984 526202893 /nfs/dbraw/zinc/20/28/93/526202893.db2.gz BPCXVUHZANVUBH-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1cccc(NC(=O)c2nc3c(c(C)c(C)n3-c3ccccc3)c(N3CCCC3)n2)c1 ZINC000033279941 526205735 /nfs/dbraw/zinc/20/57/35/526205735.db2.gz CMBGQFSHYFLSQO-UHFFFAOYSA-N 0 0 441.535 4.898 50 0 IJAARN Cc1cc(C(=O)COC(=O)C=Cc2cccc(F)c2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012638178 526210752 /nfs/dbraw/zinc/21/07/52/526210752.db2.gz HVHYCESSCIXVCP-ZJVMWOEPSA-N 0 0 449.478 4.523 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2cc(C)cc(C)c2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012638051 526211997 /nfs/dbraw/zinc/21/19/97/526211997.db2.gz SEQVRICHUBATHB-OAQYLSRUSA-N 0 0 433.504 4.601 50 0 IJAARN COc1cccc(Oc2c(C)oc3c(ccc4c3CN(Cc3ccccn3)CO4)c2=O)c1 ZINC000012442653 526240523 /nfs/dbraw/zinc/24/05/23/526240523.db2.gz BUEUIUIPXUTEFY-UHFFFAOYSA-N 0 0 430.460 4.649 50 0 IJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000024982355 526249599 /nfs/dbraw/zinc/24/95/99/526249599.db2.gz ARZQAYSTWFTYOV-UHFFFAOYSA-N 0 0 439.562 4.767 50 0 IJAARN Cc1ccc2nc(N3CCC(C(=O)NCc4ccccc4C(F)(F)F)CC3)nc(C)c2c1 ZINC000014993145 526252736 /nfs/dbraw/zinc/25/27/36/526252736.db2.gz GSYQWTFTQNGPMO-UHFFFAOYSA-N 0 0 442.485 4.798 50 0 IJAARN Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)NCc3ccco3)Cc3ccccc3)no2)c1 ZINC000036015450 526255607 /nfs/dbraw/zinc/25/56/07/526255607.db2.gz BDFWIJZDWHEANP-UHFFFAOYSA-N 0 0 443.503 4.510 50 0 IJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012753168 526256765 /nfs/dbraw/zinc/25/67/65/526256765.db2.gz AUFLJGZZEOHGNH-JSGCOSHPSA-N 0 0 433.624 4.641 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@H](c3ccco3)N(C)C)cc12 ZINC000012785647 526291241 /nfs/dbraw/zinc/29/12/41/526291241.db2.gz FBGRHOIEMILNDA-GOSISDBHSA-N 0 0 442.972 4.734 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3)n2)o1 ZINC000023336373 526314900 /nfs/dbraw/zinc/31/49/00/526314900.db2.gz SUYHHJOFOYXIEO-QZTJIDSGSA-N 0 0 435.572 4.937 50 0 IJAARN Fc1ccc(-c2n[nH]cc2CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000020421676 526315722 /nfs/dbraw/zinc/31/57/22/526315722.db2.gz NXCTYILLNYZGLE-UHFFFAOYSA-N 0 0 439.844 4.605 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000012564043 526376105 /nfs/dbraw/zinc/37/61/05/526376105.db2.gz CWHBFDDTGNUMQD-UHFFFAOYSA-N 0 0 438.959 4.686 50 0 IJAARN O=C([C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1)N1CCOCC1 ZINC000012566965 526450355 /nfs/dbraw/zinc/45/03/55/526450355.db2.gz CIKQLFTZQAAZBO-QHCPKHFHSA-N 0 0 429.545 4.975 50 0 IJAARN O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(C(F)(F)F)cc1 ZINC000020604292 526455864 /nfs/dbraw/zinc/45/58/64/526455864.db2.gz SUXKIWYQNPINQD-UHFFFAOYSA-N 0 0 434.418 4.588 50 0 IJAARN Cc1csc2nc(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)cc(=O)n12 ZINC000023937006 526456712 /nfs/dbraw/zinc/45/67/12/526456712.db2.gz MGJHRFBMVWOTKG-UHFFFAOYSA-N 0 0 449.561 4.565 50 0 IJAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000018238667 526479146 /nfs/dbraw/zinc/47/91/46/526479146.db2.gz SBHNEABQYDOKRC-QZTJIDSGSA-N 0 0 426.900 4.636 50 0 IJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Br ZINC000022907024 526495007 /nfs/dbraw/zinc/49/50/07/526495007.db2.gz JVRBGGATBLJGSZ-FQEVSTJZSA-N 0 0 425.326 4.572 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc(Br)s2)cc1 ZINC000022226567 526522381 /nfs/dbraw/zinc/52/23/81/526522381.db2.gz YKKAYGTVKPSWAU-UHFFFAOYSA-N 0 0 435.343 4.667 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)NCc1cc(F)ccc1F ZINC000012149984 526562837 /nfs/dbraw/zinc/56/28/37/526562837.db2.gz PIXNYNJGMKBLPM-MHZLTWQESA-N 0 0 448.513 4.920 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)o2)cs1 ZINC000012749505 526571372 /nfs/dbraw/zinc/57/13/72/526571372.db2.gz KEWZZSVWVFOEMR-UHFFFAOYSA-N 0 0 427.526 4.666 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(Br)c2)cs1 ZINC000012782593 526579953 /nfs/dbraw/zinc/57/99/53/526579953.db2.gz GDFJZWJUCBAWNW-UHFFFAOYSA-N 0 0 435.368 4.632 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1 ZINC000022913334 526581221 /nfs/dbraw/zinc/58/12/21/526581221.db2.gz UCGRXRYZBQJUJN-SVBPBHIXSA-N 0 0 439.559 4.755 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000017149939 526581854 /nfs/dbraw/zinc/58/18/54/526581854.db2.gz PSKDZFMERNKMPA-GOSISDBHSA-N 0 0 440.373 5.000 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000015076395 526593961 /nfs/dbraw/zinc/59/39/61/526593961.db2.gz AKXROXMRWQUPCT-MUUNZHRXSA-N 0 0 437.543 4.754 50 0 IJAARN O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(Cc2noc3ccccc23)CC1 ZINC000021664382 526595259 /nfs/dbraw/zinc/59/52/59/526595259.db2.gz DNXRGOVKRUXTMR-UHFFFAOYSA-N 0 0 438.487 4.594 50 0 IJAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)NCc1ccc2c(c1)OCO2 ZINC000021527954 526634900 /nfs/dbraw/zinc/63/49/00/526634900.db2.gz QUQAQDSODXEBJH-UHFFFAOYSA-N 0 0 430.479 4.806 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(F)cc1F ZINC000021721716 526651688 /nfs/dbraw/zinc/65/16/88/526651688.db2.gz FKLIDZDLHAAMAH-UHFFFAOYSA-N 0 0 432.477 4.821 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000020730404 526661112 /nfs/dbraw/zinc/66/11/12/526661112.db2.gz KCRLNMHPOUXHHB-UHFFFAOYSA-N 0 0 448.950 4.957 50 0 IJAARN O=C(c1ccc(Cn2cccn2)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000022101594 526684726 /nfs/dbraw/zinc/68/47/26/526684726.db2.gz HOHSSIVEQIDITK-UHFFFAOYSA-N 0 0 431.517 4.611 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)o2)s1 ZINC000012730815 526686728 /nfs/dbraw/zinc/68/67/28/526686728.db2.gz OXWDSNARCDIRBS-UHFFFAOYSA-N 0 0 439.360 4.612 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261313 526700039 /nfs/dbraw/zinc/70/00/39/526700039.db2.gz QKOWINDLSBWLNI-UHFFFAOYSA-N 0 0 442.450 4.685 50 0 IJAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012872556 526712871 /nfs/dbraw/zinc/71/28/71/526712871.db2.gz SWFGHLLEXAOKKD-UHFFFAOYSA-N 0 0 441.915 4.716 50 0 IJAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000012544357 526721228 /nfs/dbraw/zinc/72/12/28/526721228.db2.gz FARFOGPJCVEJLT-UHFFFAOYSA-N 0 0 428.536 4.555 50 0 IJAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cc1Cl ZINC000012795086 526725730 /nfs/dbraw/zinc/72/57/30/526725730.db2.gz GQRXVMYPOASIRC-UHFFFAOYSA-N 0 0 435.749 4.636 50 0 IJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000015067726 526735568 /nfs/dbraw/zinc/73/55/68/526735568.db2.gz JMDXDEQZSGQREA-UHFFFAOYSA-N 0 0 443.503 4.993 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3ccccc3Cl)no2)c1C ZINC000033296824 526741264 /nfs/dbraw/zinc/74/12/64/526741264.db2.gz JYAZOHHZPOTJQH-UHFFFAOYSA-N 0 0 432.871 4.969 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3cc(F)ccc3Cl)C2)c1)N1CCCC1 ZINC000033311510 526775198 /nfs/dbraw/zinc/77/51/98/526775198.db2.gz TXGKNTDIHRCZFJ-KRWDZBQOSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(NCc1cccs1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986267 526781556 /nfs/dbraw/zinc/78/15/56/526781556.db2.gz FXIDENMKJZJNND-UHFFFAOYSA-N 0 0 449.601 4.922 50 0 IJAARN Cc1nc(CN2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000024661071 526863603 /nfs/dbraw/zinc/86/36/03/526863603.db2.gz NQHIJMBEYQKIPT-UHFFFAOYSA-N 0 0 434.609 4.501 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)OCc1ccccc1 ZINC000012376214 526864282 /nfs/dbraw/zinc/86/42/82/526864282.db2.gz LFFKYDVBEGVJRG-MCSIRMTHSA-N 0 0 432.564 4.609 50 0 IJAARN Cc1sc(NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)nc1-c1ccc(F)c(F)c1 ZINC000012760234 526878851 /nfs/dbraw/zinc/87/88/51/526878851.db2.gz LZXBVWKDOYZJJP-GFCCVEGCSA-N 0 0 443.475 4.539 50 0 IJAARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)nc1-c1ccc(F)c(F)c1 ZINC000012825253 526882682 /nfs/dbraw/zinc/88/26/82/526882682.db2.gz CDBLLAJLZOLLTK-GOSISDBHSA-N 0 0 443.475 4.767 50 0 IJAARN O=C(c1cncs1)N(Cc1cccc(OCCc2cccs2)c1)C[C@@H]1CCCO1 ZINC000012455901 526885836 /nfs/dbraw/zinc/88/58/36/526885836.db2.gz UMTAXOORYDUDSN-IBGZPJMESA-N 0 0 428.579 4.648 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCc2ccccc2C1 ZINC000012851126 526891423 /nfs/dbraw/zinc/89/14/23/526891423.db2.gz RYRNFUDALUUFKM-WOJBJXKFSA-N 0 0 426.442 4.742 50 0 IJAARN Cc1sc2nc([C@H](C)SCCC(=O)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C ZINC000040067146 526896156 /nfs/dbraw/zinc/89/61/56/526896156.db2.gz SVUFFWHVHGCVBZ-AWEZNQCLSA-N 0 0 427.595 4.913 50 0 IJAARN O=C(CNc1cccc(OC2CCCC2)c1)Nc1cc2c(cc1Br)OCCO2 ZINC000012537139 526897919 /nfs/dbraw/zinc/89/79/19/526897919.db2.gz OFWGOXGLNPOXBD-UHFFFAOYSA-N 0 0 447.329 4.592 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1)N1CCOCC1 ZINC000034713479 526900679 /nfs/dbraw/zinc/90/06/79/526900679.db2.gz CBEDPSBPYMLGKR-UHFFFAOYSA-N 0 0 432.904 4.654 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)no1 ZINC000021441982 526911751 /nfs/dbraw/zinc/91/17/51/526911751.db2.gz HGXWEHMWNYTGEK-UHFFFAOYSA-N 0 0 440.912 4.910 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000012624818 526916493 /nfs/dbraw/zinc/91/64/93/526916493.db2.gz ZRSJDJIJNULHPZ-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000012538323 526918540 /nfs/dbraw/zinc/91/85/40/526918540.db2.gz HXBPXNOLKLJJFW-UHFFFAOYSA-N 0 0 447.303 4.789 50 0 IJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(-c2cccc(Cl)c2)no1 ZINC000020437543 526938156 /nfs/dbraw/zinc/93/81/56/526938156.db2.gz KKATXDPGQNNNFI-UHFFFAOYSA-N 0 0 427.819 4.944 50 0 IJAARN O=C(COc1cccc(F)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000012643452 526976247 /nfs/dbraw/zinc/97/62/47/526976247.db2.gz FKZSSGMCVKLMCM-UHFFFAOYSA-N 0 0 429.879 4.879 50 0 IJAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)c1ccccc1Cl ZINC000012376079 526986822 /nfs/dbraw/zinc/98/68/22/526986822.db2.gz VQCRFDNTFCVHGN-NRFANRHFSA-N 0 0 449.860 4.560 50 0 IJAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N21)Nc1ccc(F)cc1 ZINC000021644030 527012835 /nfs/dbraw/zinc/01/28/35/527012835.db2.gz LVRNOKXDGBBPPL-OAQYLSRUSA-N 0 0 444.491 4.529 50 0 IJAARN Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n(C[C@H]2CCCO2)c1C ZINC000022092464 527016267 /nfs/dbraw/zinc/01/62/67/527016267.db2.gz NSMKPOFWTGUTQV-CRAIPNDOSA-N 0 0 431.627 4.689 50 0 IJAARN O=C1CS[C@]2(c3ccccc3N(Cc3ccccc3F)C2=O)N1c1ccc(F)c(F)c1 ZINC000020573822 527016589 /nfs/dbraw/zinc/01/65/89/527016589.db2.gz XWPTXFBOPMZZPQ-QHCPKHFHSA-N 0 0 440.446 4.584 50 0 IJAARN Cc1nc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)n(C[C@H]2CCCO2)c1C ZINC000012733493 527016836 /nfs/dbraw/zinc/01/68/36/527016836.db2.gz FSLKABSGWBNSED-DNQXCXABSA-N 0 0 449.620 4.871 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n(C[C@H]2CCCO2)c1C ZINC000012553003 527018302 /nfs/dbraw/zinc/01/83/02/527018302.db2.gz ODJJFHFQYFUZOA-JOCHJYFZSA-N 0 0 442.629 4.790 50 0 IJAARN Cn1c(-c2ccccc2Cl)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S ZINC000012933522 527019280 /nfs/dbraw/zinc/01/92/80/527019280.db2.gz NZTCPVOBBOEBBQ-UHFFFAOYSA-N 0 0 426.973 4.824 50 0 IJAARN O=C(CSc1ccccc1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012469241 527040464 /nfs/dbraw/zinc/04/04/64/527040464.db2.gz KUZJMXJNRNPZNL-SFHVURJKSA-N 0 0 443.012 4.519 50 0 IJAARN O=C(CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)NC1CC1 ZINC000012818642 527043698 /nfs/dbraw/zinc/04/36/98/527043698.db2.gz DKSZBXQTJWBMBP-UHFFFAOYSA-N 0 0 445.516 4.711 50 0 IJAARN O=C(CSc1n[nH]c(C=Cc2ccc(F)cc2)n1)N(Cc1ccccc1F)C1CC1 ZINC000012902447 527047491 /nfs/dbraw/zinc/04/74/91/527047491.db2.gz HAULHMJBHYXMDO-KPKJPENVSA-N 0 0 426.492 4.537 50 0 IJAARN O=C(CSc1nc[nH]n1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000020807914 527074013 /nfs/dbraw/zinc/07/40/13/527074013.db2.gz URDYEAXDCLKQIP-NRFANRHFSA-N 0 0 435.597 4.819 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1cccc(F)c1 ZINC000015881923 527076058 /nfs/dbraw/zinc/07/60/58/527076058.db2.gz QXLHFSJEXZLYDY-UHFFFAOYSA-N 0 0 427.892 4.581 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1F ZINC000012695410 527082040 /nfs/dbraw/zinc/08/20/40/527082040.db2.gz DVMXZKOHWSTFKD-UHFFFAOYSA-N 0 0 448.523 4.931 50 0 IJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000015634675 527091355 /nfs/dbraw/zinc/09/13/55/527091355.db2.gz SDMCIDQKVYUJNZ-OFNKIYASSA-N 0 0 446.304 4.798 50 0 IJAARN O=C(CSc1nncn1CCc1cccs1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022133647 527091910 /nfs/dbraw/zinc/09/19/10/527091910.db2.gz VHMBJNAYUFTOAP-QFIPXVFZSA-N 0 0 448.617 4.775 50 0 IJAARN O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012631342 527157606 /nfs/dbraw/zinc/15/76/06/527157606.db2.gz CTQDTEMZIQKNQN-BUHFOSPRSA-N 0 0 448.953 4.553 50 0 IJAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)c1=O ZINC000033005863 527162063 /nfs/dbraw/zinc/16/20/63/527162063.db2.gz IGRAVNXQLOANIZ-IBGZPJMESA-N 0 0 425.532 4.504 50 0 IJAARN O=C(Cc1ccc(F)cc1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000021522303 527228458 /nfs/dbraw/zinc/22/84/58/527228458.db2.gz SKWOPIFTLVUKPL-UHFFFAOYSA-N 0 0 436.918 4.561 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(Br)cc2)CCCC1 ZINC000012857186 527229583 /nfs/dbraw/zinc/22/95/83/527229583.db2.gz OXDAMCYBIBVKFA-UHFFFAOYSA-N 0 0 429.358 4.736 50 0 IJAARN O=S(=O)(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccc(Cl)c1 ZINC000012763728 527248059 /nfs/dbraw/zinc/24/80/59/527248059.db2.gz RFDHTIQMWZMANR-UHFFFAOYSA-N 0 0 437.352 4.779 50 0 IJAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CC=C(c2ccccc2)CC1 ZINC000020977678 527268412 /nfs/dbraw/zinc/26/84/12/527268412.db2.gz OVPDNRSWISDTRI-UHFFFAOYSA-N 0 0 440.468 4.900 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012361526 527276846 /nfs/dbraw/zinc/27/68/46/527276846.db2.gz QNZDSUMIDUVYSO-LJQANCHMSA-N 0 0 425.312 4.728 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3ccccc3F)C2)s1 ZINC000035512021 527344954 /nfs/dbraw/zinc/34/49/54/527344954.db2.gz CCWLANMJQGDBDS-ZDUSSCGKSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CN2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000022799471 527398518 /nfs/dbraw/zinc/39/85/18/527398518.db2.gz FTJRYNYCWGMZFG-UHFFFAOYSA-N 0 0 442.588 4.866 50 0 IJAARN O=C(Cn1cnc2c(sc3cccc(Cl)c32)c1=O)Nc1ccccc1C(F)(F)F ZINC000017177645 527400747 /nfs/dbraw/zinc/40/07/47/527400747.db2.gz YCJXPOFCKOFBSW-UHFFFAOYSA-N 0 0 437.830 4.922 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(Cl)cc1 ZINC000012603193 527453334 /nfs/dbraw/zinc/45/33/34/527453334.db2.gz QKGQCJGKGFGBOU-SFHVURJKSA-N 0 0 428.970 4.707 50 0 IJAARN O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1F ZINC000008721654 527462700 /nfs/dbraw/zinc/46/27/00/527462700.db2.gz DUAZUXJTWPPNPK-UHFFFAOYSA-N 0 0 436.331 4.839 50 0 IJAARN O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccc(CN2CCCC2=O)c1 ZINC000021637516 527519212 /nfs/dbraw/zinc/51/92/12/527519212.db2.gz TYEPSYOIHQZOJG-UHFFFAOYSA-N 0 0 425.941 4.762 50 0 IJAARN O=C(NC1CCCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020729135 527520217 /nfs/dbraw/zinc/52/02/17/527520217.db2.gz YVJDGPKLRAOCCE-UHFFFAOYSA-N 0 0 441.037 4.654 50 0 IJAARN O=C(NC1c2ccccc2-c2ccccc21)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000012596320 527545076 /nfs/dbraw/zinc/54/50/76/527545076.db2.gz HGRRVYHRILXLRH-SFHVURJKSA-N 0 0 430.935 4.965 50 0 IJAARN Cn1nc(CC(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccccc2c1=O ZINC000012809620 527553174 /nfs/dbraw/zinc/55/31/74/527553174.db2.gz QREXSLSSOLLTRB-UHFFFAOYSA-N 0 0 437.421 4.801 50 0 IJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(N(C)C)cc1)SCC(=O)N2 ZINC000020891253 527571353 /nfs/dbraw/zinc/57/13/53/527571353.db2.gz POOADEUZFJRMLI-FQEVSTJZSA-N 0 0 435.578 4.631 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)SCC(=O)N2 ZINC000020744807 527573084 /nfs/dbraw/zinc/57/30/84/527573084.db2.gz CEFMYJIIKGAGCX-JOCHJYFZSA-N 0 0 443.532 4.974 50 0 IJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000020745805 527573184 /nfs/dbraw/zinc/57/31/84/527573184.db2.gz CPPCDHNSHNKCOV-OAQYLSRUSA-N 0 0 425.492 4.716 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000012168119 527618826 /nfs/dbraw/zinc/61/88/26/527618826.db2.gz WSOLGCMPMZKRFQ-UHFFFAOYSA-N 0 0 438.527 4.906 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2ccccc21)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020676775 527656783 /nfs/dbraw/zinc/65/67/83/527656783.db2.gz KNJHILWVDZHXFX-AREMUKBSSA-N 0 0 425.532 4.701 50 0 IJAARN FC(F)(F)c1cccc(Cc2noc(CN3CCC(OCc4ccccc4)CC3)n2)c1 ZINC000012592775 527685533 /nfs/dbraw/zinc/68/55/33/527685533.db2.gz NKZFCUKEDSRZBN-UHFFFAOYSA-N 0 0 431.458 4.860 50 0 IJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCc1cccc(Cl)c1 ZINC000002976422 535132721 /nfs/dbraw/zinc/13/27/21/535132721.db2.gz QTFZCJQBHRBDSD-UHFFFAOYSA-N 0 0 444.000 4.979 50 0 IJAARN CCOC(=O)C1CCN(c2ncnc3c2sc2nc(C)cc(-c4ccccc4)c23)CC1 ZINC000013363311 535606417 /nfs/dbraw/zinc/60/64/17/535606417.db2.gz AEHLIWLRKFQEKW-UHFFFAOYSA-N 0 0 432.549 4.994 50 0 IJAARN COC(=O)c1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 ZINC000002114027 536737320 /nfs/dbraw/zinc/73/73/20/536737320.db2.gz GZJDTWWNIVBZJU-UHFFFAOYSA-N 0 0 441.483 4.835 50 0 biogenic IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000000621947 555511112 /nfs/dbraw/zinc/51/11/12/555511112.db2.gz LKJSJQPPCYSYCD-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1 ZINC000000622457 555511134 /nfs/dbraw/zinc/51/11/34/555511134.db2.gz OTLZCUYPKHVQER-UHFFFAOYSA-N 0 0 441.338 4.552 50 0 IJAARN COc1c(C)cccc1C(=O)Nc1ccc(I)cc1C(F)(F)F ZINC000000624105 555511758 /nfs/dbraw/zinc/51/17/58/555511758.db2.gz NPWIXTXEPWSFOR-UHFFFAOYSA-N 0 0 435.183 4.879 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000000630756 555514803 /nfs/dbraw/zinc/51/48/03/555514803.db2.gz UWYIPYJCBVLFLY-UHFFFAOYSA-N 0 0 440.540 4.854 50 0 IJAARN O=C(Cn1c(=O)sc2cccc(Cl)c21)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000632909 555515467 /nfs/dbraw/zinc/51/54/67/555515467.db2.gz NCQUUCIFPSPXIO-JOCHJYFZSA-N 0 0 437.904 4.884 50 0 IJAARN COC(=O)c1cc(C(=O)c2ccc(OC)cc2OC)n2ccc(Cc3ccccc3)cc12 ZINC000000638928 555517869 /nfs/dbraw/zinc/51/78/69/555517869.db2.gz NCIHOYFRSGBIRP-UHFFFAOYSA-N 0 0 429.472 4.565 50 0 IJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(C)c1C ZINC000000641279 555518710 /nfs/dbraw/zinc/51/87/10/555518710.db2.gz RPMIVBLCIZUEHD-QHCPKHFHSA-N 0 0 431.561 4.897 50 0 IJAARN COC(=O)c1c(NC(=O)c2ccc(OC(F)F)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000000652978 555523793 /nfs/dbraw/zinc/52/37/93/555523793.db2.gz DQKJAMIWMYTUNN-JTQLQIEISA-N 0 0 425.453 4.522 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3cc(C)ccc3C)c(C)s2)c1 ZINC000000655319 555524773 /nfs/dbraw/zinc/52/47/73/555524773.db2.gz WYMCVSBDGFDYHB-UHFFFAOYSA-N 0 0 441.578 4.879 50 0 IJAARN CCc1ccc(-c2nc(NC(=S)NC(=O)c3c(OC)cccc3OC)sc2C)cc1 ZINC000000655403 555524843 /nfs/dbraw/zinc/52/48/43/555524843.db2.gz AMNJEMBIPRRHLR-UHFFFAOYSA-N 0 0 441.578 4.825 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccccc2)nc1 ZINC000000657444 555525404 /nfs/dbraw/zinc/52/54/04/555525404.db2.gz JZMYKFGESTWECY-NHCUHLMSSA-N 0 0 429.564 4.584 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000000667199 555528938 /nfs/dbraw/zinc/52/89/38/555528938.db2.gz BSAPOTTZWCQXNU-KRWDZBQOSA-N 0 0 426.563 4.631 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C)c1ccccc1 ZINC000000667457 555529260 /nfs/dbraw/zinc/52/92/60/555529260.db2.gz KILNTQSITAOYKX-CYBMUJFWSA-N 0 0 426.929 4.851 50 0 aggregator IJAARN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000667618 555529597 /nfs/dbraw/zinc/52/95/97/555529597.db2.gz HNPSOZCPIOYEHA-UHFFFAOYSA-N 0 0 446.528 4.891 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000000670909 555530948 /nfs/dbraw/zinc/53/09/48/555530948.db2.gz XUWQRGYVMLSTGC-UHFFFAOYSA-N 0 0 434.561 4.632 50 0 IJAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)COc3cc(C)ccc3C)cc2)c1 ZINC000000675094 555533956 /nfs/dbraw/zinc/53/39/56/555533956.db2.gz FZOYMHGIUXWVIU-UHFFFAOYSA-N 0 0 432.520 4.955 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000000676598 555534894 /nfs/dbraw/zinc/53/48/94/555534894.db2.gz MPMCMEPVMMMSOM-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN Cc1c(Br)ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)c1C ZINC000000687352 555540402 /nfs/dbraw/zinc/54/04/02/555540402.db2.gz ODBJDVNHONDQEC-UHFFFAOYSA-N 0 0 445.386 4.516 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3C)n2C)c1 ZINC000000687351 555540442 /nfs/dbraw/zinc/54/04/42/555540442.db2.gz WYVVRDXBINDAEP-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN Cc1c(Br)ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1C ZINC000000687457 555540795 /nfs/dbraw/zinc/54/07/95/555540795.db2.gz PUHREKRADGYTIM-UHFFFAOYSA-N 0 0 448.342 4.759 50 0 IJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)cc1 ZINC000000688644 555541301 /nfs/dbraw/zinc/54/13/01/555541301.db2.gz AOWZLNPUYUYNRU-SFHVURJKSA-N 0 0 441.483 4.841 50 0 IJAARN O=S(=O)(Nc1c(Br)cc(Br)c2cccnc21)c1ccccc1 ZINC000000762946 555554148 /nfs/dbraw/zinc/55/41/48/555554148.db2.gz PEKXTLSWDZEBSL-UHFFFAOYSA-N 0 0 442.132 4.561 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000000791304 555557088 /nfs/dbraw/zinc/55/70/88/555557088.db2.gz IKFCIZOKJLZLHZ-UHFFFAOYSA-N 0 0 433.533 4.779 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccncc2)cc1 ZINC000000796352 555557959 /nfs/dbraw/zinc/55/79/59/555557959.db2.gz ICMMBJWQSRPGCY-UHFFFAOYSA-N 0 0 433.512 4.762 50 0 IJAARN COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCOCC2)cc1OC ZINC000000799862 555559037 /nfs/dbraw/zinc/55/90/37/555559037.db2.gz ALJSDRIYCPNZJE-UHFFFAOYSA-N 0 0 445.559 4.700 50 0 IJAARN COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1Br ZINC000000822533 555564138 /nfs/dbraw/zinc/56/41/38/555564138.db2.gz JEVCBZYMKARGES-MRXNPFEDSA-N 0 0 431.315 4.535 50 0 IJAARN CN(C(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)C1CCCCC1 ZINC000000848484 555570128 /nfs/dbraw/zinc/57/01/28/555570128.db2.gz NTVHTOFJUHZNQS-UHFFFAOYSA-N 0 0 428.458 4.918 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865894 555573520 /nfs/dbraw/zinc/57/35/20/555573520.db2.gz FDYAFRSSEFXQOM-DGCLKSJQSA-N 0 0 441.866 4.583 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000000865961 555573859 /nfs/dbraw/zinc/57/38/59/555573859.db2.gz RWEPLADJJRKTBX-DZGCQCFKSA-N 0 0 439.800 4.983 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000000867608 555574681 /nfs/dbraw/zinc/57/46/81/555574681.db2.gz ZYQBHZTZHKAHAF-INIZCTEOSA-N 0 0 432.505 4.849 50 0 IJAARN O=C(C=Cc1ccc2ccccc2n1)OCC(=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000009464869 555575726 /nfs/dbraw/zinc/57/57/26/555575726.db2.gz BXZPOYIQWINIRN-JXMROGBWSA-N 0 0 449.356 4.877 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Cl ZINC000000881956 555577679 /nfs/dbraw/zinc/57/76/79/555577679.db2.gz ZUWFHXGAJGDUAB-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000000882072 555577758 /nfs/dbraw/zinc/57/77/58/555577758.db2.gz SLNXKVQXKSQFBP-UHFFFAOYSA-N 0 0 439.924 4.728 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1Br ZINC000000907393 555582053 /nfs/dbraw/zinc/58/20/53/555582053.db2.gz BAOVBKRJAVETKL-UHFFFAOYSA-N 0 0 431.359 4.767 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCOCC2)C1 ZINC000000920995 555584708 /nfs/dbraw/zinc/58/47/08/555584708.db2.gz PXZHIRCJIMUWDR-AWEZNQCLSA-N 0 0 432.611 4.685 50 0 IJAARN COc1cc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc(OC)c1OC ZINC000000935563 555585564 /nfs/dbraw/zinc/58/55/64/555585564.db2.gz VZQMOSYWGCPMKB-INIZCTEOSA-N 0 0 431.901 4.502 50 0 IJAARN O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(I)cc1 ZINC000000942808 555587335 /nfs/dbraw/zinc/58/73/35/555587335.db2.gz MGCCZDRZAVHFQU-UHFFFAOYSA-N 0 0 429.257 4.976 50 0 IJAARN O=C(COc1ccccc1Br)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000942877 555587402 /nfs/dbraw/zinc/58/74/02/555587402.db2.gz JIMKSXLNQVBSSF-UHFFFAOYSA-N 0 0 432.314 4.956 50 0 IJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(I)cc3C)sc2n1 ZINC000000950123 555588828 /nfs/dbraw/zinc/58/88/28/555588828.db2.gz DIZUMKAJGCCVKO-UHFFFAOYSA-N 0 0 437.306 4.661 50 0 IJAARN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000000954533 555589750 /nfs/dbraw/zinc/58/97/50/555589750.db2.gz OCTRBFAWWPOGMO-GFCCVEGCSA-N 0 0 445.338 4.683 50 0 IJAARN O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000000955527 555589924 /nfs/dbraw/zinc/58/99/24/555589924.db2.gz TULLHTFPYGBVJQ-UHFFFAOYSA-N 0 0 442.437 4.695 50 0 IJAARN COc1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000000969889 555591193 /nfs/dbraw/zinc/59/11/93/555591193.db2.gz UWXBIICEINFCLN-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(F)cc2)cc1 ZINC000000972338 555591783 /nfs/dbraw/zinc/59/17/83/555591783.db2.gz DGGYFVNLHZBQGK-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN O=C(COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000000990473 555595914 /nfs/dbraw/zinc/59/59/14/555595914.db2.gz YBUDKFMHYGWCQZ-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000991321 555596617 /nfs/dbraw/zinc/59/66/17/555596617.db2.gz BSPCNSXVBGMLLN-UHFFFAOYSA-N 0 0 438.277 4.741 50 0 IJAARN COc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 ZINC000000993063 555597180 /nfs/dbraw/zinc/59/71/80/555597180.db2.gz VFRFWPVIAFMTDX-UHFFFAOYSA-N 0 0 440.293 4.972 50 0 IJAARN COc1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc(Br)c1OC ZINC000000995956 555598403 /nfs/dbraw/zinc/59/84/03/555598403.db2.gz PEJBZYSBFPLSAH-WOJGMQOQSA-N 0 0 438.277 4.964 50 0 IJAARN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000000997067 555599000 /nfs/dbraw/zinc/59/90/00/555599000.db2.gz CYUDRMVPIPNLFW-UHFFFAOYSA-N 0 0 443.290 4.753 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000001003950 555600823 /nfs/dbraw/zinc/60/08/23/555600823.db2.gz BWWIRJZNVHZUGV-UHFFFAOYSA-N 0 0 431.330 4.529 50 0 IJAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1O ZINC000001011358 555601907 /nfs/dbraw/zinc/60/19/07/555601907.db2.gz NTNDHJZKOZEVHH-APSNUPSMSA-N 0 0 438.274 4.539 50 0 IJAARN COc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000001017056 555602812 /nfs/dbraw/zinc/60/28/12/555602812.db2.gz YDEQWDIEJFAPSL-JTQLQIEISA-N 0 0 429.108 4.626 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1C1CCCCC1)NC(=O)Nc1ccccc1 ZINC000001035685 555608107 /nfs/dbraw/zinc/60/81/07/555608107.db2.gz AXMSQLSYJJXFOV-UHFFFAOYSA-N 0 0 441.582 4.952 50 0 IJAARN CCCS(=O)(=O)c1cscc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000001037698 555608653 /nfs/dbraw/zinc/60/86/53/555608653.db2.gz QHVOMEMRCSEBSH-UHFFFAOYSA-N 0 0 442.921 4.940 50 0 IJAARN Cc1nc(C(F)(F)F)ccc1NC(=O)N1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000001048349 555611852 /nfs/dbraw/zinc/61/18/52/555611852.db2.gz FDBAQSZQDVVXKM-UHFFFAOYSA-N 0 0 444.860 4.941 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001049411 555612427 /nfs/dbraw/zinc/61/24/27/555612427.db2.gz JEISOKJKCZDNGF-MRXNPFEDSA-N 0 0 444.940 4.926 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccccc1O ZINC000001068697 555619984 /nfs/dbraw/zinc/61/99/84/555619984.db2.gz VJJIMJBPFQAKHD-QHCPKHFHSA-N 0 0 442.298 4.706 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccccc2F)C(=S)N1C1CCCCC1)Nc1ccc(F)cc1 ZINC000001071147 555621206 /nfs/dbraw/zinc/62/12/06/555621206.db2.gz XNLDTLWQKVGLSO-HXUWFJFHSA-N 0 0 443.519 4.628 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000001075837 555623861 /nfs/dbraw/zinc/62/38/61/555623861.db2.gz ZLZXUMCYATTZBC-JOCHJYFZSA-N 0 0 430.342 4.592 50 0 IJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000001075784 555623968 /nfs/dbraw/zinc/62/39/68/555623968.db2.gz KHNJTJJHONWDLH-UHFFFAOYSA-N 0 0 434.492 4.813 50 0 IJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000001080687 555625985 /nfs/dbraw/zinc/62/59/85/555625985.db2.gz DIPWQLMSRKMYBF-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000001093348 555627479 /nfs/dbraw/zinc/62/74/79/555627479.db2.gz GRJHPGBENMIQDP-UHFFFAOYSA-N 0 0 445.548 4.643 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1cc2ccccc2oc1=O ZINC000001101344 555628726 /nfs/dbraw/zinc/62/87/26/555628726.db2.gz JZQWMCTXMDZYKQ-UHFFFAOYSA-N 0 0 443.278 4.581 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2C)cc1Cl ZINC000001108948 555630514 /nfs/dbraw/zinc/63/05/14/555630514.db2.gz HFCVCCNNFHMLFP-UHFFFAOYSA-N 0 0 433.002 4.941 50 0 IJAARN Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000001109382 555630835 /nfs/dbraw/zinc/63/08/35/555630835.db2.gz PLGRHCYLKWUSJC-UHFFFAOYSA-N 0 0 436.965 4.772 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001112359 555632458 /nfs/dbraw/zinc/63/24/58/555632458.db2.gz ITGAAGWTXOSHQF-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN CSc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000001112575 555632648 /nfs/dbraw/zinc/63/26/48/555632648.db2.gz UYVPZKUSRUGGNP-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)cc4F)c3n2)cc1 ZINC000001120757 555637580 /nfs/dbraw/zinc/63/75/80/555637580.db2.gz JXYFQISWVXRDQP-UHFFFAOYSA-N 0 0 430.361 4.873 50 0 IJAARN CCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2 ZINC000001120783 555637658 /nfs/dbraw/zinc/63/76/58/555637658.db2.gz DKXFGKHTDPFQAA-LJQANCHMSA-N 0 0 430.892 4.887 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 ZINC000001125434 555640558 /nfs/dbraw/zinc/64/05/58/555640558.db2.gz VDKJVNCBSUABFX-IBGZPJMESA-N 0 0 428.561 4.963 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 ZINC000001129276 555643386 /nfs/dbraw/zinc/64/33/86/555643386.db2.gz YHDVQFYNVQYPBX-UHFFFAOYSA-N 0 0 438.549 4.531 50 0 IJAARN C[C@@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)c1ccccc1 ZINC000001130505 555644181 /nfs/dbraw/zinc/64/41/81/555644181.db2.gz SZTHHFJJKORWKU-QGZVFWFLSA-N 0 0 431.923 4.984 50 0 IJAARN C[C@H](NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)c1ccccc1 ZINC000001130504 555644185 /nfs/dbraw/zinc/64/41/85/555644185.db2.gz SZTHHFJJKORWKU-KRWDZBQOSA-N 0 0 431.923 4.984 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000001133673 555646048 /nfs/dbraw/zinc/64/60/48/555646048.db2.gz WRPPPEFNVQNNKJ-LJQANCHMSA-N 0 0 438.549 4.889 50 0 IJAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000001133679 555646068 /nfs/dbraw/zinc/64/60/68/555646068.db2.gz NCGQDRMACMFGHZ-UHFFFAOYSA-N 0 0 436.577 4.924 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSCc1ccccc1 ZINC000001135469 555646782 /nfs/dbraw/zinc/64/67/82/555646782.db2.gz MMUNYBABQBNKKS-UHFFFAOYSA-N 0 0 436.533 4.828 50 0 IJAARN CCOc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001138198 555648129 /nfs/dbraw/zinc/64/81/29/555648129.db2.gz QJCPYCRSAXGEFX-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000001138849 555648438 /nfs/dbraw/zinc/64/84/38/555648438.db2.gz OGNBUDOGNJCCAM-JPYJTQIMSA-N 0 0 429.520 4.722 50 0 IJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2c(F)cccc2Cl)c(C(=O)OCC)c1C ZINC000001140198 555649495 /nfs/dbraw/zinc/64/94/95/555649495.db2.gz YHGZQULKHWWNES-MDZDMXLPSA-N 0 0 439.892 4.854 50 0 IJAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000001140376 555649692 /nfs/dbraw/zinc/64/96/92/555649692.db2.gz QVNHFACIROFVSV-NDEPHWFRSA-N 0 0 437.495 4.856 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000001141421 555650320 /nfs/dbraw/zinc/65/03/20/555650320.db2.gz UTDRGGNXZPFVNR-UHFFFAOYSA-N 0 0 440.540 4.785 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 ZINC000001144531 555652342 /nfs/dbraw/zinc/65/23/42/555652342.db2.gz YFUGMZMPMPWFII-UHFFFAOYSA-N 0 0 435.322 4.597 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000001144890 555652703 /nfs/dbraw/zinc/65/27/03/555652703.db2.gz RAXBRHAQAMOHEC-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000001147839 555654359 /nfs/dbraw/zinc/65/43/59/555654359.db2.gz DDQQBOGHJQDMSN-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000001147798 555654385 /nfs/dbraw/zinc/65/43/85/555654385.db2.gz WEALODGOPHGYCV-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000001148751 555655255 /nfs/dbraw/zinc/65/52/55/555655255.db2.gz VXDBGUYZMYOGAJ-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 ZINC000001149780 555655598 /nfs/dbraw/zinc/65/55/98/555655598.db2.gz JUQZLHBQDHJNFH-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1C ZINC000001156487 555658951 /nfs/dbraw/zinc/65/89/51/555658951.db2.gz YHAZMXLESIMGSB-UHFFFAOYSA-N 0 0 429.517 4.740 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 ZINC000001158298 555660202 /nfs/dbraw/zinc/66/02/02/555660202.db2.gz QZZIBVIVCQWKAN-UHFFFAOYSA-N 0 0 427.551 4.733 50 0 IJAARN CCOC(=O)[C@@]1(C=C(O)c2ccc(F)cc2)C(=O)Oc2ccccc2[C@H]1c1ccccc1 ZINC000001158459 555660466 /nfs/dbraw/zinc/66/04/66/555660466.db2.gz XDNIGSIBLAUGCL-BVAGGSTKSA-N 0 0 432.447 4.699 50 0 IJAARN COc1cc(NC(=O)COc2cc(C)c(Br)c(C)c2)c(OC)cc1Cl ZINC000001160490 555661420 /nfs/dbraw/zinc/66/14/20/555661420.db2.gz KTEUJTYPUNSLOX-UHFFFAOYSA-N 0 0 428.710 4.754 50 0 IJAARN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000001161676 555662026 /nfs/dbraw/zinc/66/20/26/555662026.db2.gz YVHPQQUNZJXPFI-HVOBPNNYSA-N 0 0 432.879 4.758 50 0 IJAARN CCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001161719 555662342 /nfs/dbraw/zinc/66/23/42/555662342.db2.gz ZAEUHNIQHWJCIO-UHFFFAOYSA-N 0 0 434.989 4.865 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001162122 555662359 /nfs/dbraw/zinc/66/23/59/555662359.db2.gz XCYPBBOVCMVQLR-UHFFFAOYSA-N 0 0 437.912 4.839 50 0 IJAARN O=C(C[C@@]1(O)c2ccccc2N(CCc2ccccc2)C1=O)c1ccc2c3c(cccc31)CC2 ZINC000001162691 555662683 /nfs/dbraw/zinc/66/26/83/555662683.db2.gz CUBKFWLVSJIPON-SSEXGKCCSA-N 0 0 447.534 4.988 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000001162824 555662997 /nfs/dbraw/zinc/66/29/97/555662997.db2.gz QDSZPZPXZVXFGZ-UHFFFAOYSA-N 0 0 442.915 4.580 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 ZINC000001167655 555664891 /nfs/dbraw/zinc/66/48/91/555664891.db2.gz UAFVEGDZNSNQLS-UHFFFAOYSA-N 0 0 439.537 4.575 50 0 IJAARN COc1cc(OC)c(NC(=O)COc2ccc(Br)cc2Cl)cc1Cl ZINC000001168923 555665321 /nfs/dbraw/zinc/66/53/21/555665321.db2.gz JCRMKDQEBLTEKZ-UHFFFAOYSA-N 0 0 435.101 4.791 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000001167962 555665326 /nfs/dbraw/zinc/66/53/26/555665326.db2.gz PXLINZDXNFOALZ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Br ZINC000001169177 555665660 /nfs/dbraw/zinc/66/56/60/555665660.db2.gz QASHNWVAERUPJW-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN O[C@@H](COc1ccc(Br)cc1)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000001172172 555667306 /nfs/dbraw/zinc/66/73/06/555667306.db2.gz SJOUZAPTFMAFBJ-LJQANCHMSA-N 0 0 437.337 4.830 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccccc2)cc1 ZINC000001172312 555667523 /nfs/dbraw/zinc/66/75/23/555667523.db2.gz NCUHCXTWWBBVOO-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)cc1 ZINC000001172565 555667910 /nfs/dbraw/zinc/66/79/10/555667910.db2.gz ZPYAFZPYEHIAGV-GOSISDBHSA-N 0 0 441.483 4.841 50 0 IJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 ZINC000001179749 555671142 /nfs/dbraw/zinc/67/11/42/555671142.db2.gz KCHDZYCUEMCJBA-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000001196998 555677351 /nfs/dbraw/zinc/67/73/51/555677351.db2.gz QWDADKWEZWTUBY-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)cc3n2)cc1 ZINC000001204040 555679680 /nfs/dbraw/zinc/67/96/80/555679680.db2.gz NKYPVBPGRADVGH-UHFFFAOYSA-N 0 0 448.351 4.954 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000001206086 555680634 /nfs/dbraw/zinc/68/06/34/555680634.db2.gz ZCBADNVSRVYLPR-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN COC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001206565 555680639 /nfs/dbraw/zinc/68/06/39/555680639.db2.gz AYDBGVNSPFBJEO-UHFFFAOYSA-N 0 0 429.925 4.831 50 0 IJAARN O=C(c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1)N1CCCC1 ZINC000001212560 555682783 /nfs/dbraw/zinc/68/27/83/555682783.db2.gz JXRPDQUZABHJFN-UHFFFAOYSA-N 0 0 429.229 4.958 50 0 IJAARN CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000001220286 555685726 /nfs/dbraw/zinc/68/57/26/555685726.db2.gz CNIQWGWSKMNZOL-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2C)cc1 ZINC000001220811 555686031 /nfs/dbraw/zinc/68/60/31/555686031.db2.gz WQZQGPQIOBEWFP-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3)n2)cc1Br ZINC000001312118 555689663 /nfs/dbraw/zinc/68/96/63/555689663.db2.gz PYKSCFWUMACSDK-UHFFFAOYSA-N 0 0 433.327 4.907 50 0 IJAARN O=C(NCc1ccccc1)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000001413033 555694712 /nfs/dbraw/zinc/69/47/12/555694712.db2.gz LREYYAMKKIJFCK-UHFFFAOYSA-N 0 0 434.517 4.538 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1ccc(F)cc1 ZINC000001439739 555697189 /nfs/dbraw/zinc/69/71/89/555697189.db2.gz ROBAURRMMKGTQV-UHFFFAOYSA-N 0 0 432.517 4.687 50 0 IJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1CCc1ccc(F)cc1 ZINC000001446131 555699034 /nfs/dbraw/zinc/69/90/34/555699034.db2.gz KMOLZGDAQJBCPU-XZOQPEGZSA-N 0 0 439.870 4.781 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446568 555699244 /nfs/dbraw/zinc/69/92/44/555699244.db2.gz LHPOLZTWYZXESR-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN O=C(NCc1cccs1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000001517198 555702587 /nfs/dbraw/zinc/70/25/87/555702587.db2.gz GPVGRHBHGYEXOJ-UHFFFAOYSA-N 0 0 428.439 4.505 50 0 IJAARN CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775139 555714059 /nfs/dbraw/zinc/71/40/59/555714059.db2.gz NXPLDAUYCRLMSD-AWEZNQCLSA-N 0 0 432.856 4.586 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc(C)c(C)c31)CCC2 ZINC000001896133 555723273 /nfs/dbraw/zinc/72/32/73/555723273.db2.gz WCHXDUDTBAWQCO-UHFFFAOYSA-N 0 0 447.607 4.766 50 0 IJAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000002060252 555731620 /nfs/dbraw/zinc/73/16/20/555731620.db2.gz HOMOUEHROCIHAJ-CMPLNLGQSA-N 0 0 442.092 4.600 50 0 IJAARN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(CC)cc1 ZINC000002061457 555732001 /nfs/dbraw/zinc/73/20/01/555732001.db2.gz OFJYFJAKRYDRQF-UHFFFAOYSA-N 0 0 443.521 4.612 50 0 IJAARN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002078486 555736369 /nfs/dbraw/zinc/73/63/69/555736369.db2.gz PBRSVTJKRLUMKY-KRWDZBQOSA-N 0 0 434.989 4.541 50 0 IJAARN CCOC(=O)CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002083069 555738925 /nfs/dbraw/zinc/73/89/25/555738925.db2.gz JRJIEIPQSPRFJG-UHFFFAOYSA-N 0 0 428.579 4.761 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000002097985 555742406 /nfs/dbraw/zinc/74/24/06/555742406.db2.gz MUTGWIKAGKUBMS-ZETCQYMHSA-N 0 0 446.441 4.946 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000002135823 555747227 /nfs/dbraw/zinc/74/72/27/555747227.db2.gz SVUFPILEHLLGRV-UHFFFAOYSA-N 0 0 426.694 4.687 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1C ZINC000002152279 555750029 /nfs/dbraw/zinc/75/00/29/555750029.db2.gz CQJONPYCQJWGPO-BUVRLJJBSA-N 0 0 443.572 4.976 50 0 IJAARN COCCCNC(=O)c1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002161259 555750898 /nfs/dbraw/zinc/75/08/98/555750898.db2.gz KHRVDELBIGYESD-UHFFFAOYSA-N 0 0 448.363 4.743 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl ZINC000002240716 555761533 /nfs/dbraw/zinc/76/15/33/555761533.db2.gz XITQFWATCXZMAJ-UHFFFAOYSA-N 0 0 445.953 4.789 50 0 IJAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002320487 555768291 /nfs/dbraw/zinc/76/82/91/555768291.db2.gz BXIRFNUOFLMUSX-JWQCQUIFSA-N 0 0 440.543 4.798 50 0 IJAARN Cc1c(Cl)c(=O)oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002317298 555768303 /nfs/dbraw/zinc/76/83/03/555768303.db2.gz VDTBBDNIVPZQHA-LJQANCHMSA-N 0 0 443.883 4.926 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002410003 555776761 /nfs/dbraw/zinc/77/67/61/555776761.db2.gz AYHGNLBFEWVGTC-QHCPKHFHSA-N 0 0 429.447 4.729 50 0 IJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002424026 555777689 /nfs/dbraw/zinc/77/76/89/555777689.db2.gz DJMQBQKPNXIQDR-FQEVSTJZSA-N 0 0 429.875 4.946 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2CC)cc1 ZINC000002431913 555778225 /nfs/dbraw/zinc/77/82/25/555778225.db2.gz DOLQLLFLXSPMDI-UHFFFAOYSA-N 0 0 429.615 4.527 50 0 IJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC ZINC000002442980 555779663 /nfs/dbraw/zinc/77/96/63/555779663.db2.gz RKHBWRAITPBHFF-UHFFFAOYSA-N 0 0 430.961 4.975 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)c1 ZINC000002446248 555780175 /nfs/dbraw/zinc/78/01/75/555780175.db2.gz PUWWDSCHKWQYOT-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000002447615 555780565 /nfs/dbraw/zinc/78/05/65/555780565.db2.gz WDJFQMVRHVPZDF-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN CC1=C(C(N)=O)[C@H](c2ccc(C(C)C)cc2)n2nc(SCc3ccccc3F)nc2N1 ZINC000002458755 555782916 /nfs/dbraw/zinc/78/29/16/555782916.db2.gz QJBVFZXJAZBSMZ-FQEVSTJZSA-N 0 0 437.544 4.607 50 0 IJAARN COc1ccc2c(c1)C1=C([C@@H](c3ccc(F)cc3)N3NC=NC3=N1)[C@@H](c1ccccc1F)O2 ZINC000002542246 555786431 /nfs/dbraw/zinc/78/64/31/555786431.db2.gz ANMWZQSRUSFVKA-DNQXCXABSA-N 0 0 444.441 4.778 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1)NCc1ccccn1 ZINC000034675960 555794486 /nfs/dbraw/zinc/79/44/86/555794486.db2.gz WTHVBPMEGFBGPS-UHFFFAOYSA-N 0 0 443.478 4.520 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000034680993 555814015 /nfs/dbraw/zinc/81/40/15/555814015.db2.gz VKYLHHUOJILVOS-UHFFFAOYSA-N 0 0 449.382 4.726 50 0 IJAARN O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)nc1)C1CCCCC1 ZINC000034681102 555814339 /nfs/dbraw/zinc/81/43/39/555814339.db2.gz GROHQYVHBBKCDI-UHFFFAOYSA-N 0 0 440.975 4.606 50 0 IJAARN CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000002773972 555816783 /nfs/dbraw/zinc/81/67/83/555816783.db2.gz XAZSVFVEKCQKHB-HXUWFJFHSA-N 0 0 444.915 4.548 50 0 IJAARN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683196 555818427 /nfs/dbraw/zinc/81/84/27/555818427.db2.gz NGEMXAOGOQOFPC-UHFFFAOYSA-N 0 0 444.547 4.649 50 0 IJAARN O=C(NCc1ccccc1F)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684601 555820084 /nfs/dbraw/zinc/82/00/84/555820084.db2.gz MYNHRXGTNMICKG-UHFFFAOYSA-N 0 0 437.946 4.731 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2 ZINC000034708406 555823077 /nfs/dbraw/zinc/82/30/77/555823077.db2.gz JZDZHCCTYDBLHM-RPBOFIJWSA-N 0 0 434.580 4.563 50 0 IJAARN O=C(c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1)N1CCOCC1 ZINC000034712034 555825146 /nfs/dbraw/zinc/82/51/46/555825146.db2.gz QPCJJILITJGPOH-UHFFFAOYSA-N 0 0 432.904 4.654 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 ZINC000002835331 555832638 /nfs/dbraw/zinc/83/26/38/555832638.db2.gz FQNNXHXRXHZDAA-UHFFFAOYSA-N 0 0 437.750 4.629 50 0 IJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002838102 555834090 /nfs/dbraw/zinc/83/40/90/555834090.db2.gz QFXCRTMZDXEYGV-UHFFFAOYSA-N 0 0 444.512 4.904 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000002838480 555834349 /nfs/dbraw/zinc/83/43/49/555834349.db2.gz ISKZTDFXKCJTTR-GOSISDBHSA-N 0 0 430.295 4.521 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(F)cc2Cl)sc2c1CCCC2 ZINC000002841844 555836108 /nfs/dbraw/zinc/83/61/08/555836108.db2.gz NAYRVCVNKSRAJT-UHFFFAOYSA-N 0 0 440.949 4.723 50 0 IJAARN COC(=O)c1ccc(-n2c(SCCCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000002846513 555837660 /nfs/dbraw/zinc/83/76/60/555837660.db2.gz RSQXLGDGHVGHHU-UHFFFAOYSA-N 0 0 430.529 4.897 50 0 IJAARN CCOc1ccc(Br)cc1/C=C1\NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000002856532 555842038 /nfs/dbraw/zinc/84/20/38/555842038.db2.gz XWKHVTXPZIOOGD-GDNBJRDFSA-N 0 0 437.746 4.763 50 0 IJAARN CCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002879650 555854286 /nfs/dbraw/zinc/85/42/86/555854286.db2.gz HBHGTDJOHHMIOJ-UHFFFAOYSA-N 0 0 438.549 4.509 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 ZINC000002881456 555855563 /nfs/dbraw/zinc/85/55/63/555855563.db2.gz QLDABSIWDBASIN-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1cccs1)Nc1ccc(Cl)cc1 ZINC000002882008 555855904 /nfs/dbraw/zinc/85/59/04/555855904.db2.gz JNWXNGHMDUWCEN-LJQANCHMSA-N 0 0 439.924 4.768 50 0 IJAARN CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000002897891 555860323 /nfs/dbraw/zinc/86/03/23/555860323.db2.gz ONRGMOVFZFJIBG-UHFFFAOYSA-N 0 0 427.320 4.599 50 0 IJAARN Cc1cc([C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715026 555864766 /nfs/dbraw/zinc/86/47/66/555864766.db2.gz LQRQSBFUTDUBMM-LOSJGSFVSA-N 0 0 444.550 4.739 50 0 IJAARN CCCCNC(=O)N1C[C@@H](c2ccc(F)c(C)c2)C[C@H](C(=O)NCc2cccc(F)c2)C1 ZINC000034715917 555865015 /nfs/dbraw/zinc/86/50/15/555865015.db2.gz ODNFRAOICNZIGL-SFTDATJTSA-N 0 0 443.538 4.505 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000002969356 555869009 /nfs/dbraw/zinc/86/90/09/555869009.db2.gz CWZLBHDUVSPHJF-UHFFFAOYSA-N 0 0 443.668 4.764 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2cc(C)cc(C)c2)cc1 ZINC000002982848 555873084 /nfs/dbraw/zinc/87/30/84/555873084.db2.gz YOYPIVCXJSVMLV-UHFFFAOYSA-N 0 0 430.614 4.604 50 0 IJAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccccc1C ZINC000002986901 555874369 /nfs/dbraw/zinc/87/43/69/555874369.db2.gz BJCTVURBBAIMHD-PGMHBOJBSA-N 0 0 429.472 4.806 50 0 IJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000034733867 555878488 /nfs/dbraw/zinc/87/84/88/555878488.db2.gz FQKBYALFIMFLIG-UHFFFAOYSA-N 0 0 435.474 4.978 50 0 IJAARN CC(C)CC(=O)N[C@@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000003051562 555882677 /nfs/dbraw/zinc/88/26/77/555882677.db2.gz ANSWTUWRQCMHCO-GFCCVEGCSA-N 0 0 449.547 4.562 50 0 IJAARN CC(C)CC(=O)N[C@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000003051560 555882697 /nfs/dbraw/zinc/88/26/97/555882697.db2.gz ANSWTUWRQCMHCO-LBPRGKRZSA-N 0 0 449.547 4.562 50 0 IJAARN COc1ccc(NC(=O)Cc2ccccc2)cc1N1CCCN(Cc2ccccc2F)C1=O ZINC000034739761 555882733 /nfs/dbraw/zinc/88/27/33/555882733.db2.gz OFTRGNVIFPHGIL-UHFFFAOYSA-N 0 0 447.510 4.848 50 0 IJAARN CCOC(=O)c1c(C)oc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C(=O)OCC ZINC000003136285 555890836 /nfs/dbraw/zinc/89/08/36/555890836.db2.gz GOYZPXYMNHLTMH-UHFFFAOYSA-N 0 0 428.363 4.604 50 0 IJAARN Cc1cc(Oc2nc(N3CCCC3)nc3c2CN(C(=O)Nc2ccccc2)CC3)ccc1F ZINC000034757180 555901979 /nfs/dbraw/zinc/90/19/79/555901979.db2.gz FSGVJYYVGPUDJN-UHFFFAOYSA-N 0 0 447.514 4.907 50 0 IJAARN O=C(Cc1ccccc1)N1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034758134 555902937 /nfs/dbraw/zinc/90/29/37/555902937.db2.gz BENWSLDYMXZCJZ-UHFFFAOYSA-N 0 0 446.526 4.526 50 0 IJAARN Cc1ccccc1Oc1nc(N2CCCCC2)nc2c1CN(C(=O)c1cccc(F)c1)CC2 ZINC000034758203 555902959 /nfs/dbraw/zinc/90/29/59/555902959.db2.gz CONGIYDBNKRGCJ-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833534 555913257 /nfs/dbraw/zinc/91/32/57/555913257.db2.gz YQSXYXAHQVNSNO-UHFFFAOYSA-N 0 0 432.499 4.772 50 0 IJAARN CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)cnc3ccccc32)C1 ZINC000034868208 555925643 /nfs/dbraw/zinc/92/56/43/555925643.db2.gz FWIDIZNLGZOMBQ-IBGZPJMESA-N 0 0 432.520 4.644 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2cccc(Cl)c2)cc1 ZINC000003430306 555933504 /nfs/dbraw/zinc/93/35/04/555933504.db2.gz ASRDJGITBGUHCK-UHFFFAOYSA-N 0 0 444.988 4.947 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000003515520 555937487 /nfs/dbraw/zinc/93/74/87/555937487.db2.gz USVVKWRTLSEAIW-NSHDSACASA-N 0 0 441.119 4.820 50 0 IJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000003670157 555945340 /nfs/dbraw/zinc/94/53/40/555945340.db2.gz YSOABHXUTDAWQE-KCWPFWIISA-N 0 0 441.531 4.694 50 0 IJAARN CC(C)c1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)[C@](C)(O)CC(=O)[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000004111608 555963506 /nfs/dbraw/zinc/96/35/06/555963506.db2.gz AFJANWBPFDEJLC-XCBFCAQUSA-N 0 0 446.584 4.533 50 0 IJAARN CC(C)CCOC(=O)C1(C(=O)OCCC(C)C)CC2(C1)COC(c1ccccc1)OC2 ZINC000004321919 555986490 /nfs/dbraw/zinc/98/64/90/555986490.db2.gz XCKXNGXFYMQXNZ-UHFFFAOYSA-N 0 0 432.557 4.677 50 0 IJAARN Clc1ccccc1[C@@H]1OCCOCCOCCOCCO[C@H]1c1ccccc1Cl ZINC000004577029 556002290 /nfs/dbraw/zinc/00/22/90/556002290.db2.gz ZWBDHJPYSSIFKP-VXKWHMMOSA-N 0 0 441.351 4.872 50 0 IJAARN COC(=O)C[C@@H](O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000004773729 556011139 /nfs/dbraw/zinc/01/11/39/556011139.db2.gz BOCZYIUKFAQNLG-PVAZVXKLSA-N 0 0 425.500 4.717 50 0 IJAARN CSc1ncc(Br)c(C(c2ccccc2)(c2ccccc2)n2ccnc2)n1 ZINC000005313909 556044802 /nfs/dbraw/zinc/04/48/02/556044802.db2.gz JPHVUOJCXRKILP-UHFFFAOYSA-N 0 0 437.366 4.998 50 0 IJAARN COC(=O)c1c2c(sc1NC(=S)Nc1ccc(Br)cn1)C[C@@H](C)CC2 ZINC000006427899 556087284 /nfs/dbraw/zinc/08/72/84/556087284.db2.gz DCGDGXBYJKBWMP-VIFPVBQESA-N 0 0 440.388 4.626 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3C)o2)c(OC)c1 ZINC000018596878 556114826 /nfs/dbraw/zinc/11/48/26/556114826.db2.gz LSFWZUOXGMRYQL-GFCCVEGCSA-N 0 0 433.917 4.835 50 0 IJAARN CCOc1cccc2c1Oc1nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c(=S)c1C2 ZINC000002691564 556119960 /nfs/dbraw/zinc/11/99/60/556119960.db2.gz UQSRJHPPMHFTFY-UHFFFAOYSA-N 0 0 426.494 4.553 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1ccc(C)cc1 ZINC000002691091 556122068 /nfs/dbraw/zinc/12/20/68/556122068.db2.gz VGOCAMOMZRXTOX-UHFFFAOYSA-N 0 0 433.529 4.590 50 0 IJAARN COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002704591 556123860 /nfs/dbraw/zinc/12/38/60/556123860.db2.gz BUIJHMWAWLDVTF-HSZRJFAPSA-N 0 0 427.456 4.561 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1c(F)cccc1Cl ZINC000002711575 556125073 /nfs/dbraw/zinc/12/50/73/556125073.db2.gz XTLRQVDBDVQWPZ-UHFFFAOYSA-N 0 0 434.945 4.926 50 0 IJAARN O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Br)cc1)CCS2 ZINC000002720040 556126516 /nfs/dbraw/zinc/12/65/16/556126516.db2.gz QDEALFNQZGYCEW-UHFFFAOYSA-N 0 0 431.380 4.936 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)cc1 ZINC000002719985 556126556 /nfs/dbraw/zinc/12/65/56/556126556.db2.gz SYRIRJCOZZLCBZ-UHFFFAOYSA-N 0 0 443.981 4.573 50 0 IJAARN CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000002713698 556129472 /nfs/dbraw/zinc/12/94/72/556129472.db2.gz DZTSZWLWRUZQEH-UHFFFAOYSA-N 0 0 447.512 4.706 50 0 IJAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1CCn1cc(Cl)cn1 ZINC000002733750 556135151 /nfs/dbraw/zinc/13/51/51/556135151.db2.gz CYCLLISWYNKRKW-UHFFFAOYSA-N 0 0 431.348 4.892 50 0 IJAARN O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2cccnc21 ZINC000002763475 556136009 /nfs/dbraw/zinc/13/60/09/556136009.db2.gz BOVPXHFDWYNNRK-UHFFFAOYSA-N 0 0 440.528 4.566 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1sc2c(c1Cl)c(OC(F)F)ccc2Br ZINC000002782629 556138370 /nfs/dbraw/zinc/13/83/70/556138370.db2.gz UZCYAKRLUPHPIL-ZETCQYMHSA-N 0 0 440.693 4.827 50 0 IJAARN Cn1nc(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1C(F)(F)F ZINC000002787613 556138820 /nfs/dbraw/zinc/13/88/20/556138820.db2.gz TYIPIQMJLYUYQC-JTQLQIEISA-N 0 0 434.491 4.909 50 0 IJAARN Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=S)NC[C@@H]1CCCO1 ZINC000002809047 556146906 /nfs/dbraw/zinc/14/69/06/556146906.db2.gz TYJNYZDHJDWXRV-QFIPXVFZSA-N 0 0 436.581 4.806 50 0 IJAARN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000002980787 556153885 /nfs/dbraw/zinc/15/38/85/556153885.db2.gz YNEIPJGLGOBWJF-UHFFFAOYSA-N 0 0 445.548 4.563 50 0 IJAARN COc1cc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc(OC)c1OC ZINC000003008346 556154554 /nfs/dbraw/zinc/15/45/54/556154554.db2.gz MEKUPUBNBZMPAJ-UHFFFAOYSA-N 0 0 439.537 4.514 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1F ZINC000003023393 556157284 /nfs/dbraw/zinc/15/72/84/556157284.db2.gz GWXWZLBRLMEMBQ-BFUOFWGJSA-N 0 0 438.952 4.897 50 0 IJAARN CC(C)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 ZINC000003015406 556158294 /nfs/dbraw/zinc/15/82/94/556158294.db2.gz BYHXRCLHLNLYKZ-UHFFFAOYSA-N 0 0 431.536 4.599 50 0 aggregator IJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008385071 556160910 /nfs/dbraw/zinc/16/09/10/556160910.db2.gz HKOHFUAAVWOGBW-IBGZPJMESA-N 0 0 445.968 4.841 50 0 IJAARN O=C(NCc1cccnc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000008400468 556166242 /nfs/dbraw/zinc/16/62/42/556166242.db2.gz QEHUTJISNCCAGU-DOTOQJQBSA-N 0 0 435.837 4.522 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 ZINC000008427362 556169657 /nfs/dbraw/zinc/16/96/57/556169657.db2.gz PYXGEHWCFKWSRC-UHFFFAOYSA-N 0 0 446.638 4.833 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2OC)n1 ZINC000008432223 556171824 /nfs/dbraw/zinc/17/18/24/556171824.db2.gz GJIWPALFSQATGH-UHFFFAOYSA-N 0 0 446.290 4.910 50 0 IJAARN COc1c(Cl)cc(Cl)cc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000008434831 556172758 /nfs/dbraw/zinc/17/27/58/556172758.db2.gz SFKBXQJNPAPIKF-SIMVJXQJSA-N 0 0 427.328 4.752 50 0 IJAARN O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000008450011 556181329 /nfs/dbraw/zinc/18/13/29/556181329.db2.gz BEYYAGCQOUEDDW-KHGIDLIESA-N 0 0 430.287 4.748 50 0 IJAARN COc1cc2nc(NCc3ccccc3Cl)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000008604729 556191362 /nfs/dbraw/zinc/19/13/62/556191362.db2.gz NPMZVGQKTYJQGQ-UHFFFAOYSA-N 0 0 446.898 4.622 50 0 aggregator IJAARN NS(=O)(=O)c1ccc(-c2ccc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 ZINC000008622526 556193188 /nfs/dbraw/zinc/19/31/88/556193188.db2.gz NGPYMZRAWALBDQ-XMMPIXPASA-N 0 0 442.500 4.583 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1)C(F)(F)F ZINC000008637081 556194994 /nfs/dbraw/zinc/19/49/94/556194994.db2.gz KXOOURGKDRUYFU-GOSISDBHSA-N 0 0 430.810 4.605 50 0 IJAARN CN1c2ccc(Br)cc2[C@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000008654336 556196982 /nfs/dbraw/zinc/19/69/82/556196982.db2.gz GATYPCFUIQXRNY-JOCHJYFZSA-N 0 0 431.293 4.569 50 0 IJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000008723178 556203666 /nfs/dbraw/zinc/20/36/66/556203666.db2.gz VMQLNVNSZFCKHK-MRXNPFEDSA-N 0 0 440.721 4.678 50 0 IJAARN COCCn1c(SCc2cc3c(c(Cl)c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000008745703 556209030 /nfs/dbraw/zinc/20/90/30/556209030.db2.gz ZEGBZVQQKUKRSL-UHFFFAOYSA-N 0 0 438.336 4.919 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O ZINC000008875074 556230277 /nfs/dbraw/zinc/23/02/77/556230277.db2.gz LPJPCQLCOLZJRL-UHFFFAOYSA-N 0 0 434.275 4.566 50 0 IJAARN COc1ccccc1C(=O)C[C@]1(O)c2cc(Cl)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000008922716 556233758 /nfs/dbraw/zinc/23/37/58/556233758.db2.gz JQWXHCLLUMWCFN-VWLOTQADSA-N 0 0 435.907 4.664 50 0 IJAARN CCOc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000008923064 556233831 /nfs/dbraw/zinc/23/38/31/556233831.db2.gz WQQVKFPICOCJQL-AREMUKBSSA-N 0 0 449.934 4.789 50 0 IJAARN CCOc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000008927857 556235107 /nfs/dbraw/zinc/23/51/07/556235107.db2.gz NZGWNHRQQORXMR-MHZLTWQESA-N 0 0 429.516 4.710 50 0 IJAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000008984295 556238245 /nfs/dbraw/zinc/23/82/45/556238245.db2.gz BBLVBIHSCMRBDT-UHFFFAOYSA-N 0 0 442.878 4.713 50 0 IJAARN O=C(NCCCn1ccnc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000008994556 556239435 /nfs/dbraw/zinc/23/94/35/556239435.db2.gz LGMILTZUWSFISV-UHFFFAOYSA-N 0 0 433.515 4.980 50 0 IJAARN O=S1(=O)C[C@@H]2N=C(SCc3cccc4ccccc43)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000009060789 556244252 /nfs/dbraw/zinc/24/42/52/556244252.db2.gz IUUISDBAXDFPHJ-SFTDATJTSA-N 0 0 442.993 4.768 50 0 IJAARN CCCSc1nnc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](CC)CC4)s1 ZINC000009088349 556245842 /nfs/dbraw/zinc/24/58/42/556245842.db2.gz GFOFDXBLNCCJNZ-JTQLQIEISA-N 0 0 433.628 4.999 50 0 IJAARN Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1C ZINC000009189591 556252286 /nfs/dbraw/zinc/25/22/86/556252286.db2.gz METQLNGQBRUKDG-HXUWFJFHSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN CCOc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1 ZINC000009189595 556252701 /nfs/dbraw/zinc/25/27/01/556252701.db2.gz IFALMAUIPVUORM-HXUWFJFHSA-N 0 0 449.580 4.703 50 0 biogenic IJAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 ZINC000009199467 556257072 /nfs/dbraw/zinc/25/70/72/556257072.db2.gz UPIDOULVCAUJMO-HNNXBMFYSA-N 0 0 426.929 4.527 50 0 IJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1C ZINC000009199250 556257089 /nfs/dbraw/zinc/25/70/89/556257089.db2.gz LZARPYFMBZAAJW-AWEZNQCLSA-N 0 0 426.929 4.581 50 0 IJAARN CCCN(C(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O)c1ccc(Cl)c(Cl)c1 ZINC000009225946 556260121 /nfs/dbraw/zinc/26/01/21/556260121.db2.gz FNASZWCQTDXELH-UHFFFAOYSA-N 0 0 443.334 4.936 50 0 IJAARN COc1ccc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3cccc(C)c3)c2c1 ZINC000009228319 556261015 /nfs/dbraw/zinc/26/10/15/556261015.db2.gz ZFLXVIQTCZMQFE-UHFFFAOYSA-N 0 0 441.531 4.878 50 0 IJAARN COc1ccc(C(=O)CN2C(=O)SC(=Cc3ccc(OCC(C)C)cc3)C2=O)cc1 ZINC000009233584 556262388 /nfs/dbraw/zinc/26/23/88/556262388.db2.gz PSJZVYVXZWIHCV-CIAFOILYSA-N 0 0 425.506 4.649 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2 ZINC000009239296 556265762 /nfs/dbraw/zinc/26/57/62/556265762.db2.gz ZKFRGWGNDACESA-ROUUACIJSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000009239598 556266096 /nfs/dbraw/zinc/26/60/96/556266096.db2.gz GURQFIFTQAWUAU-FGZHOGPDSA-N 0 0 435.597 4.808 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1C[C@@H](O)c1ccccc1 ZINC000009292237 556274308 /nfs/dbraw/zinc/27/43/08/556274308.db2.gz DZBDHUSWYFYFIV-KNQAVFIVSA-N 0 0 431.875 4.725 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009295106 556274841 /nfs/dbraw/zinc/27/48/41/556274841.db2.gz ONOSLCJKUGCLMC-UXHICEINSA-N 0 0 441.988 4.844 50 0 IJAARN CCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)NC1=S ZINC000009295970 556275263 /nfs/dbraw/zinc/27/52/63/556275263.db2.gz COCWXFHOWIBNIU-SXGWCWSVSA-N 0 0 437.348 4.659 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2-c2ccccc2)cc1 ZINC000009307162 556277142 /nfs/dbraw/zinc/27/71/42/556277142.db2.gz ULRWSENVJDCKNJ-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN Cc1c(C)n(Cc2ccncc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009340693 556283451 /nfs/dbraw/zinc/28/34/51/556283451.db2.gz JSMQCQSUFKUTJB-UHFFFAOYSA-N 0 0 441.520 4.573 50 0 IJAARN COc1ccc(OC)c([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000009359598 556285410 /nfs/dbraw/zinc/28/54/10/556285410.db2.gz JHDSSZONUOSKPT-DEOSSOPVSA-N 0 0 429.451 4.983 50 0 IJAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 ZINC000009380275 556287187 /nfs/dbraw/zinc/28/71/87/556287187.db2.gz VJDDYLRGUUCFEM-VWLOTQADSA-N 0 0 441.487 4.852 50 0 IJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1c(F)cccc1Cl ZINC000009410175 556288208 /nfs/dbraw/zinc/28/82/08/556288208.db2.gz NMZAOUHRKMXYIK-UHFFFAOYSA-N 0 0 427.863 4.848 50 0 IJAARN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000009425916 556289843 /nfs/dbraw/zinc/28/98/43/556289843.db2.gz XHNRGQWMYGTJSC-UHFFFAOYSA-N 0 0 438.863 4.536 50 0 IJAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(Cc2ccccn2)CO4)cc1OC ZINC000013723083 556291318 /nfs/dbraw/zinc/29/13/18/556291318.db2.gz PFFSOBPVLLCZRV-UHFFFAOYSA-N 0 0 444.487 4.533 50 0 IJAARN COc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc(OC)c1 ZINC000009479023 556293731 /nfs/dbraw/zinc/29/37/31/556293731.db2.gz AKNUWXGDJMFZIO-UHFFFAOYSA-N 0 0 440.569 4.528 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000009488347 556294443 /nfs/dbraw/zinc/29/44/43/556294443.db2.gz NSYXIESNQJRSGX-UHFFFAOYSA-N 0 0 445.441 4.740 50 0 IJAARN Brc1ccc(OCc2nn3c(nnc3-c3ccc4ccccc4n3)s2)cc1 ZINC000013729246 556294470 /nfs/dbraw/zinc/29/44/70/556294470.db2.gz ITNLHTREPGHVGO-UHFFFAOYSA-N 0 0 438.310 4.743 50 0 IJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OCCc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000009559779 556298312 /nfs/dbraw/zinc/29/83/12/556298312.db2.gz WSPNAICHWIFJEH-IBGZPJMESA-N 0 0 433.504 4.653 50 0 IJAARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569602 556299777 /nfs/dbraw/zinc/29/97/77/556299777.db2.gz DTEWWOHODGGSKI-GOSISDBHSA-N 0 0 427.570 4.790 50 0 IJAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n(C[C@@H]2CCCO2)c1C ZINC000032739681 556300053 /nfs/dbraw/zinc/30/00/53/556300053.db2.gz GKPYINRDYDNTKC-JTSKRJEESA-N 0 0 427.614 4.527 50 0 IJAARN O=C(Nc1cc(Br)ccc1O)c1cc(-c2ccc(Br)cc2)on1 ZINC000009597810 556301774 /nfs/dbraw/zinc/30/17/74/556301774.db2.gz WRMRDHGPXDYTPS-UHFFFAOYSA-N 0 0 438.075 4.825 50 0 IJAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccc(O)c2)on1 ZINC000009597877 556302198 /nfs/dbraw/zinc/30/21/98/556302198.db2.gz ZOHFFYDIENJVDB-UHFFFAOYSA-N 0 0 429.263 4.851 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)NCc1cccs1 ZINC000032741831 556303748 /nfs/dbraw/zinc/30/37/48/556303748.db2.gz BPZUAXCZHDSWPS-UHFFFAOYSA-N 0 0 449.561 4.538 50 0 IJAARN O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1cccc(O)c1 ZINC000013774976 556307151 /nfs/dbraw/zinc/30/71/51/556307151.db2.gz OYNDUZWVVWFPJN-DHZHZOJOSA-N 0 0 435.277 4.730 50 0 IJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 ZINC000032744996 556314470 /nfs/dbraw/zinc/31/44/70/556314470.db2.gz OXHRDFJNGGAUPT-UHFFFAOYSA-N 0 0 448.544 4.677 50 0 IJAARN CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013842729 556317777 /nfs/dbraw/zinc/31/77/77/556317777.db2.gz VZLCTIJVCZWISV-UHFFFAOYSA-N 0 0 446.981 4.896 50 0 IJAARN Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000009934135 556317955 /nfs/dbraw/zinc/31/79/55/556317955.db2.gz ODDMBFUFZPYDGI-QFIPXVFZSA-N 0 0 431.467 4.500 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc2ccccc2oc1=O ZINC000009971523 556319523 /nfs/dbraw/zinc/31/95/23/556319523.db2.gz LRLYLZKVQNETOA-UHFFFAOYSA-N 0 0 443.278 4.581 50 0 IJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1NS(C)(=O)=O ZINC000032760051 556320158 /nfs/dbraw/zinc/32/01/58/556320158.db2.gz UDWIPVZBTYVCPV-UHFFFAOYSA-N 0 0 429.567 4.866 50 0 IJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@H](C)C(=O)c3ccc(C)cc3)sc2c1 ZINC000013857237 556321302 /nfs/dbraw/zinc/32/13/02/556321302.db2.gz URHOZZUHMNHAAR-OAHLLOKOSA-N 0 0 440.521 4.537 50 0 IJAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000032753465 556322365 /nfs/dbraw/zinc/32/23/65/556322365.db2.gz QCMQJJKQRPDFEN-UHFFFAOYSA-N 0 0 434.486 4.544 50 0 IJAARN CS(=O)(=O)c1ccc(F)c(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 ZINC000032753464 556322600 /nfs/dbraw/zinc/32/26/00/556322600.db2.gz YJAUKYJNZZHRQR-UHFFFAOYSA-N 0 0 442.493 4.865 50 0 IJAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1OC ZINC000010060194 556324448 /nfs/dbraw/zinc/32/44/48/556324448.db2.gz IBYYROGKOGXBJD-HSZRJFAPSA-N 0 0 440.503 4.981 50 0 IJAARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000010060192 556324461 /nfs/dbraw/zinc/32/44/61/556324461.db2.gz POFCSBHRNWZWKT-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000004325464 556327449 /nfs/dbraw/zinc/32/74/49/556327449.db2.gz ZHQCGPDBHZNPGI-UHFFFAOYSA-N 0 0 448.589 4.655 50 0 IJAARN COc1ccc(C[C@H](NC(=O)Cc2c(C)nn(CC(C)C)c2C)c2ccc(OC)cc2)cc1 ZINC000032768807 556333501 /nfs/dbraw/zinc/33/35/01/556333501.db2.gz RJKHFVYIVPWGTC-SANMLTNESA-N 0 0 449.595 4.816 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)cc3C)cc2)cc1 ZINC000013936389 556336351 /nfs/dbraw/zinc/33/63/51/556336351.db2.gz CFCKFXUHHDZJRS-UHFFFAOYSA-N 0 0 441.578 4.922 50 0 IJAARN O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1CCc1ccccc1 ZINC000013945531 556342692 /nfs/dbraw/zinc/34/26/92/556342692.db2.gz FDQFBFZZTYSFJJ-VBKFSLOCSA-N 0 0 435.286 4.570 50 0 IJAARN COc1ccc(-n2ccnc2CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1 ZINC000011663803 556344703 /nfs/dbraw/zinc/34/47/03/556344703.db2.gz YLNYIRMTDWZBGB-OAQYLSRUSA-N 0 0 433.552 4.763 50 0 IJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000011663924 556344856 /nfs/dbraw/zinc/34/48/56/556344856.db2.gz ZZKQYZLNVNCBIQ-VWLOTQADSA-N 0 0 426.520 4.955 50 0 IJAARN COc1ccc2cc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccccn3)n(C)c2c1 ZINC000011664957 556345637 /nfs/dbraw/zinc/34/56/37/556345637.db2.gz JMLPHDQROMWQFU-SANMLTNESA-N 0 0 436.515 4.851 50 0 IJAARN O=C(/C=C\c1ccc(OC(F)F)cc1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013959867 556346727 /nfs/dbraw/zinc/34/67/27/556346727.db2.gz OXJVSWVVWSBQIE-BAQGIRSFSA-N 0 0 441.305 4.952 50 0 IJAARN COC(=O)c1sc2cc(NC(=O)c3cc(-c4cccc(OC)c4)[nH]n3)ccc2c1Cl ZINC000013960123 556347383 /nfs/dbraw/zinc/34/73/83/556347383.db2.gz DXSREIVKJBFFES-UHFFFAOYSA-N 0 0 441.896 4.992 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000011711189 556347559 /nfs/dbraw/zinc/34/75/59/556347559.db2.gz CPOPYMOUIBYTLY-DEOSSOPVSA-N 0 0 428.463 4.882 50 0 IJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C)n(Cc2ccccc2C)n1 ZINC000013961394 556348936 /nfs/dbraw/zinc/34/89/36/556348936.db2.gz GKFNHBRETFXQFQ-UHFFFAOYSA-N 0 0 430.556 4.962 50 0 IJAARN CCc1cc(C(=O)OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)C)s1 ZINC000013961411 556348969 /nfs/dbraw/zinc/34/89/69/556348969.db2.gz ZDKXIGDRUGYRHO-UHFFFAOYSA-N 0 0 426.542 4.861 50 0 IJAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000013961465 556348999 /nfs/dbraw/zinc/34/89/99/556348999.db2.gz NVGCVCBJEFSSEV-UHFFFAOYSA-N 0 0 445.611 4.684 50 0 IJAARN CCCn1c2ccccc2c2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)nc21 ZINC000032778395 556351494 /nfs/dbraw/zinc/35/14/94/556351494.db2.gz ZMIXDXLZDLWMJU-QGZVFWFLSA-N 0 0 437.594 4.907 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)c1ccccc1F ZINC000013987001 556352158 /nfs/dbraw/zinc/35/21/58/556352158.db2.gz GXDAMNXIGQYDSZ-UHFFFAOYSA-N 0 0 447.491 4.836 50 0 IJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000032795081 556355967 /nfs/dbraw/zinc/35/59/67/556355967.db2.gz CXLJLUOHFBVHHQ-MRXNPFEDSA-N 0 0 436.383 4.728 50 0 IJAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000014076996 556362175 /nfs/dbraw/zinc/36/21/75/556362175.db2.gz AHFAAZQVHBYNOD-OAQYLSRUSA-N 0 0 442.629 4.621 50 0 IJAARN Cc1cc(C)n(CCC(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)n1 ZINC000014110039 556369065 /nfs/dbraw/zinc/36/90/65/556369065.db2.gz UTVNYNLYLKPXOS-UHFFFAOYSA-N 0 0 445.548 4.905 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000014119288 556371957 /nfs/dbraw/zinc/37/19/57/556371957.db2.gz RPJFRQZVCBVFAN-UHFFFAOYSA-N 0 0 431.330 4.533 50 0 IJAARN COc1cccc(C[C@@]2(CCC(=O)NC(c3ccccc3)c3ccccc3)CCC(=O)N2)c1 ZINC000011880415 556372550 /nfs/dbraw/zinc/37/25/50/556372550.db2.gz HJJQQABALSWFNN-MUUNZHRXSA-N 0 0 442.559 4.573 50 0 IJAARN CNC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccc(C)cc1 ZINC000004508752 556373218 /nfs/dbraw/zinc/37/32/18/556373218.db2.gz UELAEQMCJVIIEM-UYRXBGFRSA-N 0 0 439.309 4.534 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SC[C@H]1CCCO1)O[C@@H](C)C2 ZINC000014128597 556373784 /nfs/dbraw/zinc/37/37/84/556373784.db2.gz VPVUECPBQDGVFM-QFBILLFUSA-N 0 0 427.566 4.610 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1cccc(Cl)c1 ZINC000014141877 556376830 /nfs/dbraw/zinc/37/68/30/556376830.db2.gz AKEOXMUCCMVJTE-UHFFFAOYSA-N 0 0 431.923 4.864 50 0 IJAARN CN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000014165709 556379497 /nfs/dbraw/zinc/37/94/97/556379497.db2.gz VKYLXMSJESYMHP-UHFFFAOYSA-N 0 0 434.439 4.783 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H]3Cc4cccc(-c5ncccc5C)c4O3)cc2)n1 ZINC000011974505 556382843 /nfs/dbraw/zinc/38/28/43/556382843.db2.gz WVZCPXBGHZRHAW-QHCPKHFHSA-N 0 0 438.531 4.593 50 0 IJAARN CC(=O)c1ccc(N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014183482 556383477 /nfs/dbraw/zinc/38/34/77/556383477.db2.gz RBAHETKXKCRBDR-UHFFFAOYSA-N 0 0 443.908 4.667 50 0 IJAARN Cc1cnc(C)c(-c2ccc(F)c3c2O[C@H](CNC(=O)Cc2ccc4ccccc4c2)C3)n1 ZINC000011977122 556383549 /nfs/dbraw/zinc/38/35/49/556383549.db2.gz NGNOERGQNMNRPB-NRFANRHFSA-N 0 0 441.506 4.715 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3ccc(F)cc3)n(C)c2=S)c1 ZINC000014185887 556385479 /nfs/dbraw/zinc/38/54/79/556385479.db2.gz NKHPGOHMLRQWSR-IBGZPJMESA-N 0 0 428.533 4.569 50 0 IJAARN C[C@H](c1nccs1)N(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012022283 556387003 /nfs/dbraw/zinc/38/70/03/556387003.db2.gz WBMDSGSCHXXUFD-QGZVFWFLSA-N 0 0 432.549 4.977 50 0 IJAARN O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)c1cccc3ccccc31)CC2 ZINC000012052780 556392701 /nfs/dbraw/zinc/39/27/01/556392701.db2.gz BQHWLSPAKBLLOT-VWLOTQADSA-N 0 0 426.560 4.831 50 0 IJAARN Cn1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012053020 556392871 /nfs/dbraw/zinc/39/28/71/556392871.db2.gz DCQJHLKIVPUIMA-LJQANCHMSA-N 0 0 432.549 4.805 50 0 IJAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C(C)C)C(C)C)CC2=O)c1 ZINC000012062023 556395220 /nfs/dbraw/zinc/39/52/20/556395220.db2.gz VLWHZFNSLJVBPT-FQEVSTJZSA-N 0 0 432.568 4.511 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)cc1 ZINC000012073879 556396860 /nfs/dbraw/zinc/39/68/60/556396860.db2.gz QVJSOVJELVVJAJ-HSZRJFAPSA-N 0 0 446.547 4.851 50 0 IJAARN Cc1noc(C)c1CC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012079505 556398262 /nfs/dbraw/zinc/39/82/62/556398262.db2.gz SDUQZRPYNIGYRI-INIZCTEOSA-N 0 0 430.426 4.640 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc(Cl)cc1C ZINC000014242791 556403387 /nfs/dbraw/zinc/40/33/87/556403387.db2.gz OWNISXYWCTURDD-UHFFFAOYSA-N 0 0 428.838 4.533 50 0 IJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219259133 556406379 /nfs/dbraw/zinc/40/63/79/556406379.db2.gz SRVONWUMGBGQGW-KRWDZBQOSA-N 0 0 446.377 4.591 50 0 IJAARN COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)cc1 ZINC000032593745 556407259 /nfs/dbraw/zinc/40/72/59/556407259.db2.gz NHDPOKCLTOWQQX-UHFFFAOYSA-N 0 0 428.492 4.726 50 0 IJAARN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1Cl ZINC000032593819 556407463 /nfs/dbraw/zinc/40/74/63/556407463.db2.gz QPZCAYZZECGSEL-UHFFFAOYSA-N 0 0 430.736 4.943 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1 ZINC000032593884 556407546 /nfs/dbraw/zinc/40/75/46/556407546.db2.gz VXJZBQGODOADDQ-UHFFFAOYSA-N 0 0 440.702 4.781 50 0 IJAARN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000032594809 556407972 /nfs/dbraw/zinc/40/79/72/556407972.db2.gz BLCHTBWAWQQTRO-UHFFFAOYSA-N 0 0 429.807 4.742 50 0 IJAARN CCc1cccc(C)c1Nc1nnc(SCC(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000032824178 556409048 /nfs/dbraw/zinc/40/90/48/556409048.db2.gz MWDYVCNUUSNFTA-QGZVFWFLSA-N 0 0 440.594 4.885 50 0 IJAARN COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)c1 ZINC000032622408 556409925 /nfs/dbraw/zinc/40/99/25/556409925.db2.gz KDCOOQDIZWTJDX-HSZRJFAPSA-N 0 0 449.551 4.624 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(-n2cnnc2)c1 ZINC000032646949 556412877 /nfs/dbraw/zinc/41/28/77/556412877.db2.gz YTPAGENSAAISNY-UHFFFAOYSA-N 0 0 439.475 4.655 50 0 IJAARN CN(CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012974840 556420919 /nfs/dbraw/zinc/42/09/19/556420919.db2.gz DQQFXWHUIVWMQD-UHFFFAOYSA-N 0 0 448.272 4.911 50 0 IJAARN CC(=O)N(c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1 ZINC000012975761 556421266 /nfs/dbraw/zinc/42/12/66/556421266.db2.gz DXKZOJLESQFFRI-OAQYLSRUSA-N 0 0 435.549 4.936 50 0 IJAARN O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012977429 556422482 /nfs/dbraw/zinc/42/24/82/556422482.db2.gz JSPHSMJJWLJECR-XMMPIXPASA-N 0 0 444.531 4.667 50 0 IJAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012977723 556422739 /nfs/dbraw/zinc/42/27/39/556422739.db2.gz PKALPVLOHLVOQW-MRXNPFEDSA-N 0 0 428.337 4.681 50 0 IJAARN CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)C1CCCCC1 ZINC000012983967 556425982 /nfs/dbraw/zinc/42/59/82/556425982.db2.gz XFNWKGGPQUPVHA-UHFFFAOYSA-N 0 0 449.580 4.951 50 0 IJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000032848695 556430821 /nfs/dbraw/zinc/43/08/21/556430821.db2.gz RCIWAFXGJGZFOM-LBPRGKRZSA-N 0 0 430.497 4.582 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)n1 ZINC000027810544 556433091 /nfs/dbraw/zinc/43/30/91/556433091.db2.gz LFJCNJFTQVRVRC-OAHLLOKOSA-N 0 0 436.537 4.642 50 0 IJAARN Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000011025064 556434578 /nfs/dbraw/zinc/43/45/78/556434578.db2.gz HDDQWKVWKQFJMW-UHFFFAOYSA-N 0 0 447.112 4.625 50 0 IJAARN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Sc1ccc2c(c1)OCCO2 ZINC000027851724 556434582 /nfs/dbraw/zinc/43/45/82/556434582.db2.gz QLLQIDQXIUUBEC-KBPBESRZSA-N 0 0 438.471 4.855 50 0 IJAARN O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)NC(=O)CS2 ZINC000013015642 556437768 /nfs/dbraw/zinc/43/77/68/556437768.db2.gz UKCLYXBHEDDWEB-KRWDZBQOSA-N 0 0 433.558 4.836 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1 ZINC000013016290 556438059 /nfs/dbraw/zinc/43/80/59/556438059.db2.gz OODONPGTRDYUNN-HSZRJFAPSA-N 0 0 428.488 4.620 50 0 IJAARN CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1cccs1 ZINC000013018538 556439405 /nfs/dbraw/zinc/43/94/05/556439405.db2.gz COPDUSKLZYBMQJ-UHFFFAOYSA-N 0 0 429.596 4.866 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)nc2ccccc21 ZINC000013021038 556439615 /nfs/dbraw/zinc/43/96/15/556439615.db2.gz MBMPCUREDNEJLO-UHFFFAOYSA-N 0 0 443.507 4.661 50 0 IJAARN O=C(CSc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21)NCc1ccco1 ZINC000013027269 556441003 /nfs/dbraw/zinc/44/10/03/556441003.db2.gz LRDNHCIKRJLJLA-LJQANCHMSA-N 0 0 438.574 4.655 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)cc1 ZINC000032957353 556441600 /nfs/dbraw/zinc/44/16/00/556441600.db2.gz ZHLYQXDRALXIRS-INIZCTEOSA-N 0 0 439.537 4.713 50 0 IJAARN Cc1cccc(C)c1-n1c(COc2ccccc2)nnc1SCC(=O)NC1CCCC1 ZINC000028047369 556442498 /nfs/dbraw/zinc/44/24/98/556442498.db2.gz URROKZBGNFRBGF-UHFFFAOYSA-N 0 0 436.581 4.614 50 0 IJAARN CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000014749337 556442651 /nfs/dbraw/zinc/44/26/51/556442651.db2.gz FSMWPUULJBYXOD-UHFFFAOYSA-N 0 0 439.559 4.782 50 0 IJAARN Cc1cc(=O)c(C(=O)O[C@H](C)c2ccc(F)cc2F)nn1-c1ccccc1C(F)(F)F ZINC000072272970 556445834 /nfs/dbraw/zinc/44/58/34/556445834.db2.gz JKJQBPQAFFKHKL-GFCCVEGCSA-N 0 0 438.352 4.756 50 0 IJAARN Cc1c2ccc(C)cc2oc1C(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000028231738 556446243 /nfs/dbraw/zinc/44/62/43/556446243.db2.gz UPDAPNHGYHLQEW-HNNXBMFYSA-N 0 0 449.931 4.672 50 0 IJAARN CCOc1ccc(-c2nsc(NC(=O)c3ccccc3Br)n2)cc1OC ZINC000028286749 556447595 /nfs/dbraw/zinc/44/75/95/556447595.db2.gz ROTBPALAIIAXHE-UHFFFAOYSA-N 0 0 434.315 4.627 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)C1 ZINC000028287205 556447975 /nfs/dbraw/zinc/44/79/75/556447975.db2.gz ABUDCZKYIXYLHE-LJQANCHMSA-N 0 0 428.492 4.731 50 0 IJAARN O=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000013042521 556448584 /nfs/dbraw/zinc/44/85/84/556448584.db2.gz JAWBNPGSCKTJCY-UHFFFAOYSA-N 0 0 443.421 4.857 50 0 IJAARN C[C@@H](NC(=O)CSc1nc(-c2ccco2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000032868682 556449267 /nfs/dbraw/zinc/44/92/67/556449267.db2.gz AHRKLPHUTKKEQQ-OAHLLOKOSA-N 0 0 447.516 4.631 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000032868887 556449499 /nfs/dbraw/zinc/44/94/99/556449499.db2.gz ADCTZEZBPJGKDT-UHFFFAOYSA-N 0 0 437.503 4.649 50 0 IJAARN CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028292060 556450294 /nfs/dbraw/zinc/45/02/94/556450294.db2.gz BAUUBHMLYWCSQJ-XMMPIXPASA-N 0 0 438.612 4.966 50 0 IJAARN CCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000013063260 556451738 /nfs/dbraw/zinc/45/17/38/556451738.db2.gz HSZCUFHFCUCGAL-UHFFFAOYSA-N 0 0 448.272 4.911 50 0 IJAARN Cc1nn(C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)c(C)c1Br ZINC000028297133 556451822 /nfs/dbraw/zinc/45/18/22/556451822.db2.gz XSVGBNKTQDJJKU-CQSZACIVSA-N 0 0 436.781 4.810 50 0 IJAARN Cc1cc2oc(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)cc(=O)c2cc1C ZINC000028402884 556453431 /nfs/dbraw/zinc/45/34/31/556453431.db2.gz BCOOPRIEEBRBMT-UHFFFAOYSA-N 0 0 446.282 4.536 50 0 IJAARN Cc1ccc(C)c(OCC(=O)N(C)c2ccccc2C(=O)N(C)CCc2ccccc2)c1 ZINC000072275301 556455693 /nfs/dbraw/zinc/45/56/93/556455693.db2.gz QYKZBRABVTWJQA-UHFFFAOYSA-N 0 0 430.548 4.660 50 0 IJAARN COCc1c(C(=O)N(C)Cc2ccsc2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014951519 556460830 /nfs/dbraw/zinc/46/08/30/556460830.db2.gz KTTBULRRHUANRD-UHFFFAOYSA-N 0 0 444.984 4.533 50 0 IJAARN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1Cl ZINC000013108780 556462328 /nfs/dbraw/zinc/46/23/28/556462328.db2.gz LZUPAUOPJWERRH-KRWDZBQOSA-N 0 0 439.737 4.504 50 0 IJAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 ZINC000029060078 556466283 /nfs/dbraw/zinc/46/62/83/556466283.db2.gz YOBGZWYJKAGFFD-CJAUYULYSA-N 0 0 442.515 4.517 50 0 IJAARN Cc1cccc(SC2CCN(C(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)CC2)c1 ZINC000014969277 556466573 /nfs/dbraw/zinc/46/65/73/556466573.db2.gz IQJBEFYOJMCBKS-NRFANRHFSA-N 0 0 428.642 4.897 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 ZINC000029072591 556466664 /nfs/dbraw/zinc/46/66/64/556466664.db2.gz YFWIAJMQFDNAHP-MAUKXSAKSA-N 0 0 442.972 4.897 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013114391 556466755 /nfs/dbraw/zinc/46/67/55/556466755.db2.gz YTYDCMGXYHOHSM-QGZVFWFLSA-N 0 0 431.533 4.584 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000013116228 556468948 /nfs/dbraw/zinc/46/89/48/556468948.db2.gz JWBJNJSTDGWOGK-UONOGXRCSA-N 0 0 425.579 4.993 50 0 IJAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1COc2ccccc2O1 ZINC000014980903 556470488 /nfs/dbraw/zinc/47/04/88/556470488.db2.gz GLAPRSNXGLWSDU-NRFANRHFSA-N 0 0 427.504 4.522 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1ccccc1SCc1cc(C)on1)O[C@@H](C)C2 ZINC000013118043 556471511 /nfs/dbraw/zinc/47/15/11/556471511.db2.gz JZKUYHMCHQSXCV-HNNXBMFYSA-N 0 0 438.549 4.927 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3F)[C@H]2c2ccccc2)cc1 ZINC000013128214 556477532 /nfs/dbraw/zinc/47/75/32/556477532.db2.gz ANWIAVXAQPMCTN-RCZVLFRGSA-N 0 0 432.495 4.635 50 0 IJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2cccc(C)c2)c1C ZINC000029556831 556478049 /nfs/dbraw/zinc/47/80/49/556478049.db2.gz XBRODAXGALLLGH-UHFFFAOYSA-N 0 0 445.350 4.897 50 0 IJAARN COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(OC)c1 ZINC000013128742 556478119 /nfs/dbraw/zinc/47/81/19/556478119.db2.gz JRVQWADAOSAHAA-KRWDZBQOSA-N 0 0 437.521 4.599 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 ZINC000013129177 556478886 /nfs/dbraw/zinc/47/88/86/556478886.db2.gz JOAADFCIUILUMQ-UHFFFAOYSA-N 0 0 448.903 4.931 50 0 IJAARN Cc1c(C(=O)N[C@@H](C)Cc2ccsc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000015005727 556481406 /nfs/dbraw/zinc/48/14/06/556481406.db2.gz VVFFKHZURDFZQQ-INIZCTEOSA-N 0 0 443.576 4.549 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000029786914 556482558 /nfs/dbraw/zinc/48/25/58/556482558.db2.gz PJXSXRVNAQGNAE-UHFFFAOYSA-N 0 0 426.925 4.745 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000013134993 556483078 /nfs/dbraw/zinc/48/30/78/556483078.db2.gz LIDFICUKUKRHDE-AWEZNQCLSA-N 0 0 427.595 4.722 50 0 IJAARN O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000013137856 556484705 /nfs/dbraw/zinc/48/47/05/556484705.db2.gz HIBIEDNZQAAJBH-UHFFFAOYSA-N 0 0 449.688 4.716 50 0 IJAARN O=S(=O)(CCSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000029872782 556484772 /nfs/dbraw/zinc/48/47/72/556484772.db2.gz HWPLFQKMYSXXML-UHFFFAOYSA-N 0 0 445.349 4.521 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1cccnc1 ZINC000013141716 556486963 /nfs/dbraw/zinc/48/69/63/556486963.db2.gz ZCDLFNPSKHFWTH-YVWKXTFCSA-N 0 0 435.597 4.671 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1C[C@@H]1CCCO1 ZINC000013141837 556487105 /nfs/dbraw/zinc/48/71/05/556487105.db2.gz IYVIQSHNKVHIDD-IBGZPJMESA-N 0 0 445.515 4.948 50 0 IJAARN Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)cs1 ZINC000029957011 556487297 /nfs/dbraw/zinc/48/72/97/556487297.db2.gz NWABSGTYFLBGEZ-IBGZPJMESA-N 0 0 430.455 4.795 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Cl ZINC000030135274 556491007 /nfs/dbraw/zinc/49/10/07/556491007.db2.gz TXIKNVXNOPNMSF-YLJYHZDGSA-N 0 0 431.920 4.546 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000030216841 556491538 /nfs/dbraw/zinc/49/15/38/556491538.db2.gz PVBCQBDUTKOTMO-UHFFFAOYSA-N 0 0 432.549 4.759 50 0 IJAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(Cl)s3)C2=O)cc1C ZINC000013150104 556492022 /nfs/dbraw/zinc/49/20/22/556492022.db2.gz KWWKOXBDRXJGKI-QHCPKHFHSA-N 0 0 438.936 4.697 50 0 IJAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1=O ZINC000013150056 556492035 /nfs/dbraw/zinc/49/20/35/556492035.db2.gz FSDLJFJLUBFQJO-CABCVRRESA-N 0 0 430.932 4.862 50 0 IJAARN O=C(CN1CCCC[C@H]1CNC(=O)Nc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000030590019 556498985 /nfs/dbraw/zinc/49/89/85/556498985.db2.gz ISBGDVLGHKPKNK-INIZCTEOSA-N 0 0 435.355 4.608 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2ccco2)cc1 ZINC000013370270 556503394 /nfs/dbraw/zinc/50/33/94/556503394.db2.gz MILZCIVEJHIZFF-QGOAFFKASA-N 0 0 425.282 4.760 50 0 IJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000015106669 556504137 /nfs/dbraw/zinc/50/41/37/556504137.db2.gz LNNCCDBSZUELRX-INIZCTEOSA-N 0 0 438.505 4.506 50 0 IJAARN COc1ccc(-c2csc3ncnc(N[C@H](C)c4ccc(S(C)(=O)=O)cc4)c23)cc1 ZINC000015119033 556504845 /nfs/dbraw/zinc/50/48/45/556504845.db2.gz IMKWVTWNBKNTJI-CQSZACIVSA-N 0 0 439.562 4.944 50 0 IJAARN COc1ccc2c(c1OC)[C@H](Cc1ccccc1)N1CCc3cc4c(cc3[C@H]1C2)OCO4 ZINC000013425190 556505590 /nfs/dbraw/zinc/50/55/90/556505590.db2.gz SKWMDAJIQZJZKL-YADHBBJMSA-N 0 0 429.516 4.872 50 0 IJAARN CC(C)Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)no1 ZINC000030790102 556505828 /nfs/dbraw/zinc/50/58/28/556505828.db2.gz YIUBHKSYEFRHJU-UHFFFAOYSA-N 0 0 428.464 4.538 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1nccn1-c1cccc(F)c1 ZINC000032716925 556506527 /nfs/dbraw/zinc/50/65/27/556506527.db2.gz ZNJYJUWRKMPNIR-UHFFFAOYSA-N 0 0 449.555 4.565 50 0 IJAARN O=C(OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccc(Nc2ncccn2)c1 ZINC000030837464 556507503 /nfs/dbraw/zinc/50/75/03/556507503.db2.gz BEKVOJJZUWMJRA-UHFFFAOYSA-N 0 0 441.369 4.646 50 0 IJAARN CN1C(=O)Cc2cc(-c3csc(C4(NC(=O)c5ccccc5)CCCCC4)n3)ccc21 ZINC000072294557 556510974 /nfs/dbraw/zinc/51/09/74/556510974.db2.gz YGLAMPAAXICYBI-UHFFFAOYSA-N 0 0 431.561 4.918 50 0 IJAARN CC(=O)N1CCc2cc(NC(=O)COc3ccccc3-c3nc4ccccc4s3)ccc21 ZINC000032888480 556511501 /nfs/dbraw/zinc/51/15/01/556511501.db2.gz PPRIZRJMDWHCKY-UHFFFAOYSA-N 0 0 443.528 4.890 50 0 IJAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CCC(C(=O)c4ccccc4)CC3)n2)cc1 ZINC000032898857 556517184 /nfs/dbraw/zinc/51/71/84/556517184.db2.gz BCLKVNGPSRYWFF-UHFFFAOYSA-N 0 0 431.536 4.914 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccccc1 ZINC000072294894 556517586 /nfs/dbraw/zinc/51/75/86/556517586.db2.gz YYJLYNIWPJREAU-AHWVRZQESA-N 0 0 440.547 4.911 50 0 IJAARN CC(C)c1cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c2cnn(C(C)C)c2n1 ZINC000032898931 556517649 /nfs/dbraw/zinc/51/76/49/556517649.db2.gz AEDYQFROXIEUPL-UHFFFAOYSA-N 0 0 434.540 4.576 50 0 IJAARN COc1ccc([C@@H](NCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc2)cc1 ZINC000032718924 556518269 /nfs/dbraw/zinc/51/82/69/556518269.db2.gz STMQRPQNWDCDIG-QHCPKHFHSA-N 0 0 431.561 4.751 50 0 IJAARN CCOc1ccc(C(=O)N[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1 ZINC000011072674 556518302 /nfs/dbraw/zinc/51/83/02/556518302.db2.gz HRNLXAONHIGIFD-VWLOTQADSA-N 0 0 445.563 4.637 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(OC)c(F)c2)[C@@H]1c1ccc(OC)cc1 ZINC000032719122 556521859 /nfs/dbraw/zinc/52/18/59/556521859.db2.gz ZPFVEQPVEBPTBC-RDPSFJRHSA-N 0 0 443.515 4.666 50 0 IJAARN O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)NCCc1c[nH]c2ccccc12 ZINC000013574717 556525075 /nfs/dbraw/zinc/52/50/75/556525075.db2.gz DJUYRJDJCNAETR-OGMQXUJQSA-N 0 0 445.544 4.509 50 0 IJAARN CCCN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)C1=O ZINC000031829086 556526842 /nfs/dbraw/zinc/52/68/42/556526842.db2.gz BEXFMTROQQMDSB-OQKWZONESA-N 0 0 437.499 4.692 50 0 IJAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)CCOCC2)cc1 ZINC000013591042 556529337 /nfs/dbraw/zinc/52/93/37/556529337.db2.gz IVMFFNKKJNIVLO-UHFFFAOYSA-N 0 0 430.504 4.634 50 0 IJAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)C1(c2ccc(F)cc2)CCCC1 ZINC000013591402 556529685 /nfs/dbraw/zinc/52/96/85/556529685.db2.gz PLFYMEBLKOJWNT-UHFFFAOYSA-N 0 0 440.828 4.669 50 0 IJAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccc(F)cc5)nn4cnc32)cc1OC ZINC000013607162 556533264 /nfs/dbraw/zinc/53/32/64/556533264.db2.gz SIKPAUBGGBPFTF-UHFFFAOYSA-N 0 0 445.498 4.762 50 0 IJAARN COC(=O)COc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(OC)cc3)c2c1 ZINC000013608055 556533625 /nfs/dbraw/zinc/53/36/25/556533625.db2.gz HWUSHRBIAICTGJ-SLEBQGDGSA-N 0 0 445.471 4.901 50 0 IJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccc(F)cc45)c(C)c3cc2c1C ZINC000013609220 556534058 /nfs/dbraw/zinc/53/40/58/556534058.db2.gz FJEUJCBSGJRZLF-UHFFFAOYSA-N 0 0 446.478 4.986 50 0 IJAARN COc1cc(CN(C(=O)COc2ccc(Cl)c(C)c2)C2CC2)ccc1OC(F)F ZINC000015616345 556538634 /nfs/dbraw/zinc/53/86/34/556538634.db2.gz DTRBDPZHDMXWGK-UHFFFAOYSA-N 0 0 425.859 4.828 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3F)n2CC(C)C)c1 ZINC000032579567 556541483 /nfs/dbraw/zinc/54/14/83/556541483.db2.gz MKNOJUZYDZKAMW-UHFFFAOYSA-N 0 0 428.533 4.788 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Br)c1OCC ZINC000013647078 556544176 /nfs/dbraw/zinc/54/41/76/556544176.db2.gz GXSPOUMKKFZXIZ-YBEGLDIGSA-N 0 0 434.261 4.730 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1 ZINC000032721559 556546922 /nfs/dbraw/zinc/54/69/22/556546922.db2.gz SFUQUWYOZJLZJJ-AWEZNQCLSA-N 0 0 433.480 4.556 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@@H](c3cccc(Oc4ccccc4)c3)NC2=O)c1 ZINC000032721831 556547429 /nfs/dbraw/zinc/54/74/29/556547429.db2.gz GVNRNJSRAZKVHN-QHCPKHFHSA-N 0 0 443.503 4.717 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032721805 556547463 /nfs/dbraw/zinc/54/74/63/556547463.db2.gz RLEXZKWYEBJHNW-DVQUGTPSSA-N 0 0 425.532 4.610 50 0 IJAARN COc1cccc(CNC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778774 556550804 /nfs/dbraw/zinc/55/08/04/556550804.db2.gz ADDKCKYVFLDFTJ-NRFANRHFSA-N 0 0 448.910 4.987 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1cccc(C)c1 ZINC000032998384 556552542 /nfs/dbraw/zinc/55/25/42/556552542.db2.gz XFNARERMLNPAPY-UHFFFAOYSA-N 0 0 429.270 4.864 50 0 IJAARN CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\SC(=N)NC2=O)cc1OC ZINC000015800310 556552825 /nfs/dbraw/zinc/55/28/25/556552825.db2.gz GQLAIWGBYIDKMN-JTMDUIFQSA-N 0 0 426.538 4.805 50 0 IJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCC(C)CC2)o1 ZINC000015860523 556558640 /nfs/dbraw/zinc/55/86/40/556558640.db2.gz GVAVQSQBMCHJIS-IBGZPJMESA-N 0 0 442.943 4.859 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1C ZINC000033274821 556559410 /nfs/dbraw/zinc/55/94/10/556559410.db2.gz KZCVHWDZYBGONA-UHFFFAOYSA-N 0 0 440.609 4.893 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 ZINC000015869224 556559964 /nfs/dbraw/zinc/55/99/64/556559964.db2.gz VYEQZUHNYFBYRB-UHFFFAOYSA-N 0 0 439.903 4.999 50 0 IJAARN Cc1c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cnn1-c1ccccc1F ZINC000032906993 556560343 /nfs/dbraw/zinc/56/03/43/556560343.db2.gz IQQGEUIMPHQQLO-UHFFFAOYSA-N 0 0 428.439 4.898 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccccc1F ZINC000015881924 556560628 /nfs/dbraw/zinc/56/06/28/556560628.db2.gz KTVJGLOKLGGKIW-UHFFFAOYSA-N 0 0 427.892 4.581 50 0 IJAARN CSc1cccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)n3)CC2)c1 ZINC000033326800 556561728 /nfs/dbraw/zinc/56/17/28/556561728.db2.gz GAGKFEYGGZZJFY-UHFFFAOYSA-N 0 0 448.596 4.913 50 0 IJAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000032908412 556564941 /nfs/dbraw/zinc/56/49/41/556564941.db2.gz RNWGODVMSNIJNF-UHFFFAOYSA-N 0 0 448.335 4.921 50 0 IJAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2Cl)N3)C1 ZINC000015947024 556567800 /nfs/dbraw/zinc/56/78/00/556567800.db2.gz ZOGMQQUKBVPMJE-HNNXBMFYSA-N 0 0 426.325 4.998 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000001208485 556574358 /nfs/dbraw/zinc/57/43/58/556574358.db2.gz FMEAKKZXEXZDEA-UHFFFAOYSA-N 0 0 439.265 4.980 50 0 IJAARN Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@@H](C)N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000072310516 556576155 /nfs/dbraw/zinc/57/61/55/556576155.db2.gz VOTRSCPWJDDIOS-LLVKDONJSA-N 0 0 439.343 4.826 50 0 IJAARN O=C(O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1ccc(N2CCNC2=O)cc1 ZINC000072310826 556577051 /nfs/dbraw/zinc/57/70/51/556577051.db2.gz ADWZPORUJSJHRS-HNNXBMFYSA-N 0 0 432.320 4.695 50 0 IJAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1ccccc1C(F)(F)F ZINC000071327950 556582053 /nfs/dbraw/zinc/58/20/53/556582053.db2.gz XJRVBUOWIUFCIE-UHFFFAOYSA-N 0 0 429.442 4.636 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)cc1 ZINC000032910680 556584425 /nfs/dbraw/zinc/58/44/25/556584425.db2.gz FBEBNCIELRDDDU-SANMLTNESA-N 0 0 449.551 4.826 50 0 IJAARN CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016184130 556587531 /nfs/dbraw/zinc/58/75/31/556587531.db2.gz DUVQYNWHTJRUBM-KRWDZBQOSA-N 0 0 434.492 4.752 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000016262238 556595144 /nfs/dbraw/zinc/59/51/44/556595144.db2.gz LWCUIVYQRREXMF-SFHVURJKSA-N 0 0 428.970 4.681 50 0 IJAARN COc1ccc(CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246417 556595282 /nfs/dbraw/zinc/59/52/82/556595282.db2.gz YELYLYMXEMQWSK-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN Cc1ccc(-c2csc3nc(SCC(=O)c4ccccc4Cl)n(N)c(=O)c23)cc1 ZINC000036646119 556599603 /nfs/dbraw/zinc/59/96/03/556599603.db2.gz LNIATOJCPNOZPC-UHFFFAOYSA-N 0 0 441.965 4.776 50 0 IJAARN COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983537 556601677 /nfs/dbraw/zinc/60/16/77/556601677.db2.gz XJNZFFKXNAEPAG-UUYOSTAYSA-N 0 0 434.879 4.651 50 0 IJAARN COCCNC(=O)CCn1c(Cc2ccc(Cl)cc2Cl)nc2cc(C)c(C)cc21 ZINC000037399003 556602852 /nfs/dbraw/zinc/60/28/52/556602852.db2.gz UVYODYGBFBLGJE-UHFFFAOYSA-N 0 0 434.367 4.703 50 0 IJAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(Br)cc2)N1CCc1ccccc1 ZINC000032986946 556606692 /nfs/dbraw/zinc/60/66/92/556606692.db2.gz WLBIXLXFALZUDK-NRFANRHFSA-N 0 0 443.366 4.807 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2nc(C)nc(C)c2Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000033679348 556621330 /nfs/dbraw/zinc/62/13/30/556621330.db2.gz BRANIIMYVSWXPS-DEOSSOPVSA-N 0 0 446.570 4.666 50 0 IJAARN CCOC(=O)c1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000016687886 556625641 /nfs/dbraw/zinc/62/56/41/556625641.db2.gz VQKWWNXTKJOBKQ-UHFFFAOYSA-N 0 0 427.932 4.742 50 0 IJAARN CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)cc1 ZINC000016732920 556632210 /nfs/dbraw/zinc/63/22/10/556632210.db2.gz IUODFQBAJATPFX-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016750167 556637134 /nfs/dbraw/zinc/63/71/34/556637134.db2.gz DAOAYHFZHPTSAH-XMMPIXPASA-N 0 0 441.483 4.564 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2F)CC(=O)N1Cc1cc(F)cc(F)c1 ZINC000037574906 556643235 /nfs/dbraw/zinc/64/32/35/556643235.db2.gz PGJZNPVYDORRIX-IBGZPJMESA-N 0 0 435.417 4.985 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Cl)c(Cl)c1)N(CCO)C3=O ZINC000016806468 556644162 /nfs/dbraw/zinc/64/41/62/556644162.db2.gz UUOQMAFIRZFCBC-KRWDZBQOSA-N 0 0 438.694 4.599 50 0 IJAARN CCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)CC)CC3)o1 ZINC000037605438 556645537 /nfs/dbraw/zinc/64/55/37/556645537.db2.gz ILVRUDRHRWVRRG-SANMLTNESA-N 0 0 446.547 4.801 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000037601751 556646371 /nfs/dbraw/zinc/64/63/71/556646371.db2.gz IYRTUZCBFWDWSB-IZZNHLLZSA-N 0 0 448.607 4.809 50 0 IJAARN COc1ccc2nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 ZINC000016945143 556649848 /nfs/dbraw/zinc/64/98/48/556649848.db2.gz WBEJLEQBIGKWIQ-UHFFFAOYSA-N 0 0 439.928 4.719 50 0 IJAARN Cc1ccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3c2cnn3C)c(C)c1 ZINC000017025958 556653517 /nfs/dbraw/zinc/65/35/17/556653517.db2.gz SEUWTUPSDLASFV-UHFFFAOYSA-N 0 0 447.974 4.704 50 0 IJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Br)s1 ZINC000011763231 556654420 /nfs/dbraw/zinc/65/44/20/556654420.db2.gz COUHYKKNISLOAD-UHFFFAOYSA-N 0 0 434.384 4.778 50 0 IJAARN Cc1nn(-c2nc(CC(=O)N3CCC(C)CC3)cs2)c(C)c1Cc1ccccc1Cl ZINC000033004562 556654661 /nfs/dbraw/zinc/65/46/61/556654661.db2.gz OCOZAUDCKNNJAH-UHFFFAOYSA-N 0 0 443.016 4.991 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)cc1 ZINC000032926277 556655379 /nfs/dbraw/zinc/65/53/79/556655379.db2.gz SNWKJLXLIJWBIG-UHFFFAOYSA-N 0 0 425.510 4.839 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(Br)cc4F)cc(=O)n3c2cc1C ZINC000033008971 556656213 /nfs/dbraw/zinc/65/62/13/556656213.db2.gz WQSNQBRMJZCZLQ-UHFFFAOYSA-N 0 0 446.301 4.680 50 0 IJAARN O=C(CN(Cc1nccn1C(F)F)C1CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000032927371 556656337 /nfs/dbraw/zinc/65/63/37/556656337.db2.gz FYDSIQPHXGIOQK-UHFFFAOYSA-N 0 0 434.506 4.743 50 0 IJAARN O=C(Nc1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2s1)c1ccccc1 ZINC000033007672 556656462 /nfs/dbraw/zinc/65/64/62/556656462.db2.gz ZCSWSSHTTZRRBX-UHFFFAOYSA-N 0 0 445.472 4.628 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009489 556657661 /nfs/dbraw/zinc/65/76/61/556657661.db2.gz QHWUOIZVFCVRIZ-UHFFFAOYSA-N 0 0 444.491 4.912 50 0 IJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc2cccc(OCC)c2oc1=N ZINC000017095864 556659247 /nfs/dbraw/zinc/65/92/47/556659247.db2.gz AXGLBVHJYGSPNL-UHFFFAOYSA-N 0 0 428.510 4.925 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)s1 ZINC000033011294 556659859 /nfs/dbraw/zinc/65/98/59/556659859.db2.gz OUIJFAQTSYWPIM-QGZVFWFLSA-N 0 0 436.581 4.740 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(OC)cc4)no3)c2)cc1 ZINC000033012392 556661528 /nfs/dbraw/zinc/66/15/28/556661528.db2.gz BZPCIHDSWXBCHA-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4csc5c4CCCC5)c(=O)c23)C1 ZINC000017097678 556662030 /nfs/dbraw/zinc/66/20/30/556662030.db2.gz MXCGRUDGJGSMDU-JTQLQIEISA-N 0 0 431.608 4.570 50 0 IJAARN Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)CC1=O ZINC000033012728 556662138 /nfs/dbraw/zinc/66/21/38/556662138.db2.gz XNFVKVFHIUIRNM-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN CC(C)n1cnc2nc(CSc3ccccc3NC(=O)CCC3CCCC3)cc(=O)n21 ZINC000033014310 556664392 /nfs/dbraw/zinc/66/43/92/556664392.db2.gz YNHBFAIDYRAXSO-UHFFFAOYSA-N 0 0 439.585 4.673 50 0 IJAARN O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000060317765 556664932 /nfs/dbraw/zinc/66/49/32/556664932.db2.gz QARJEZMHISKNLU-UHFFFAOYSA-N 0 0 429.776 4.795 50 0 IJAARN CC(C)OC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)ccc2oc1=O ZINC000011865100 556665042 /nfs/dbraw/zinc/66/50/42/556665042.db2.gz HOCHDEKTXYZFPD-UHFFFAOYSA-N 0 0 440.835 4.550 50 0 biogenic IJAARN COc1ccc(-c2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)cs2)cc1OC ZINC000022983376 556665523 /nfs/dbraw/zinc/66/55/23/556665523.db2.gz NNWFVBYBFULICM-UHFFFAOYSA-N 0 0 430.835 4.710 50 0 IJAARN COc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1OC ZINC000011865905 556665753 /nfs/dbraw/zinc/66/57/53/556665753.db2.gz WUHUQJHKBBPYOM-UHFFFAOYSA-N 0 0 437.348 4.993 50 0 IJAARN COc1ccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000017113529 556668168 /nfs/dbraw/zinc/66/81/68/556668168.db2.gz HSUUIRYNEOSHMI-UHFFFAOYSA-N 0 0 432.528 4.795 50 0 IJAARN CCN1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(=O)OC)C1 ZINC000011882581 556668747 /nfs/dbraw/zinc/66/87/47/556668747.db2.gz QEPJOTWZPDGSLF-UHFFFAOYSA-N 0 0 436.533 4.957 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)[C@H]1C ZINC000248162261 556672719 /nfs/dbraw/zinc/67/27/19/556672719.db2.gz PMRQHTRWENQZKG-QWQRMKEZSA-N 0 0 443.487 4.827 50 0 IJAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032932861 556676174 /nfs/dbraw/zinc/67/61/74/556676174.db2.gz PBRAKFUKBUVVSH-QGZVFWFLSA-N 0 0 435.549 4.859 50 0 IJAARN COc1cccc(COc2coc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2=O)c1 ZINC000011963418 556677466 /nfs/dbraw/zinc/67/74/66/556677466.db2.gz QNEDYDHPKDDVBS-UHFFFAOYSA-N 0 0 442.880 4.743 50 0 IJAARN Cc1nn(-c2nc(CC(=O)NCc3ccc(C)cc3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033019490 556682401 /nfs/dbraw/zinc/68/24/01/556682401.db2.gz AKZYXZWNUCGKGD-UHFFFAOYSA-N 0 0 448.567 4.843 50 0 IJAARN COC(=O)c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000018097862 556683822 /nfs/dbraw/zinc/68/38/22/556683822.db2.gz NWYAFNXZIXYAFB-MYNGYRLFSA-N 0 0 443.886 4.523 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1 ZINC000018116170 556684046 /nfs/dbraw/zinc/68/40/46/556684046.db2.gz OMWUVJYHYNPOCN-UHFFFAOYSA-N 0 0 427.551 4.522 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)s1 ZINC000033022889 556688215 /nfs/dbraw/zinc/68/82/15/556688215.db2.gz PBMWCCPZNSVABZ-QGZVFWFLSA-N 0 0 436.581 4.740 50 0 IJAARN CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000032937413 556689940 /nfs/dbraw/zinc/68/99/40/556689940.db2.gz LUEBBVHWTPJXOR-QGZVFWFLSA-N 0 0 435.524 4.628 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1F ZINC000046006038 556690077 /nfs/dbraw/zinc/69/00/77/556690077.db2.gz JKIDARGMGZYIKW-UHFFFAOYSA-N 0 0 446.526 4.824 50 0 IJAARN Cc1ccc2nc(NC(=O)c3c[nH]nc3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2c1 ZINC000252491641 556690529 /nfs/dbraw/zinc/69/05/29/556690529.db2.gz LPBUBXGQIFYYLZ-AWEZNQCLSA-N 0 0 441.557 4.695 50 0 IJAARN CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252517095 556690896 /nfs/dbraw/zinc/69/08/96/556690896.db2.gz ZMGGWKNGKORATN-QXAKKESOSA-N 0 0 434.330 4.507 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000033025998 556701748 /nfs/dbraw/zinc/70/17/48/556701748.db2.gz MTSNAFSRRKCNRJ-UHFFFAOYSA-N 0 0 445.544 4.946 50 0 IJAARN Cc1ccc(C(=O)NCCc2nc3cc(NC(=O)c4ccccc4C)ccc3n2C)cc1F ZINC000033026107 556702245 /nfs/dbraw/zinc/70/22/45/556702245.db2.gz VQQUJISDDZUVFL-UHFFFAOYSA-N 0 0 444.510 4.554 50 0 IJAARN COc1ccc(-c2coc3c(ccc4c3CN(CCc3ccccc3OC)CO4)c2=O)cc1 ZINC000013685102 556710699 /nfs/dbraw/zinc/71/06/99/556710699.db2.gz QUPRGGBTYLNINT-UHFFFAOYSA-N 0 0 443.499 4.872 50 0 biogenic IJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1ccc(C)cc1 ZINC000033036398 556717958 /nfs/dbraw/zinc/71/79/58/556717958.db2.gz CKZOWPPZONJKRI-UHFFFAOYSA-N 0 0 431.359 4.701 50 0 IJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000033036396 556718077 /nfs/dbraw/zinc/71/80/77/556718077.db2.gz PTKGWVDUDOJONQ-UHFFFAOYSA-N 0 0 435.322 4.532 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000005177021 556721686 /nfs/dbraw/zinc/72/16/86/556721686.db2.gz HJSUXHFYTBSYMD-UHFFFAOYSA-N 0 0 429.590 4.789 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000033037173 556722098 /nfs/dbraw/zinc/72/20/98/556722098.db2.gz CTBFZMCXICLEGQ-UHFFFAOYSA-N 0 0 430.552 4.987 50 0 IJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000033037296 556722724 /nfs/dbraw/zinc/72/27/24/556722724.db2.gz YBLOCKGMYNTVTC-UHFFFAOYSA-N 0 0 434.515 4.961 50 0 IJAARN COc1ccc(C(=O)N/C(=C/c2c[nH]c3ccccc23)C(=O)Nc2ccccc2OC)cc1 ZINC000033912964 556723703 /nfs/dbraw/zinc/72/37/03/556723703.db2.gz VYTOSKATGSRDCB-HZHRSRAPSA-N 0 0 441.487 4.595 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)nn2)cc1C ZINC000072328344 556724955 /nfs/dbraw/zinc/72/49/55/556724955.db2.gz AEQZOEUHEVCVEE-HXUWFJFHSA-N 0 0 436.506 4.571 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4Cl)cn3C)sc2c1 ZINC000061719288 556726023 /nfs/dbraw/zinc/72/60/23/556726023.db2.gz QAWOVIVUVGGBGY-UHFFFAOYSA-N 0 0 439.924 4.788 50 0 IJAARN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)CC1 ZINC000019311680 556735349 /nfs/dbraw/zinc/73/53/49/556735349.db2.gz BLNJXXXZJLWQOZ-HSZRJFAPSA-N 0 0 434.646 4.609 50 0 IJAARN C[C@H](Sc1nnc(-c2cccnc2)n1CCc1ccccc1)C(=O)Nc1ccccc1 ZINC000033936662 556743083 /nfs/dbraw/zinc/74/30/83/556743083.db2.gz PTVHZZYZCNATIJ-SFHVURJKSA-N 0 0 429.549 4.702 50 0 IJAARN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)COc3ccccc3F)cc2Cl)n1 ZINC000058014368 556753735 /nfs/dbraw/zinc/75/37/35/556753735.db2.gz IBNCIIVXIHSVSB-HNNXBMFYSA-N 0 0 444.894 4.510 50 0 IJAARN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000011165723 556759663 /nfs/dbraw/zinc/75/96/63/556759663.db2.gz XXQHERWZHXDJMQ-INIZCTEOSA-N 0 0 430.430 4.606 50 0 IJAARN Cc1csc([C@](O)(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C(F)(F)F)n1 ZINC000058140406 556761087 /nfs/dbraw/zinc/76/10/87/556761087.db2.gz FQWJXSJJIWHVEP-WIYYLYMNSA-N 0 0 434.483 4.692 50 0 IJAARN CCOc1ccc(NC=C2N=C(C(F)(F)F)N(c3nc4ccccc4s3)C2=O)cc1 ZINC000001020682 556762581 /nfs/dbraw/zinc/76/25/81/556762581.db2.gz FIGHNUXADHYJTH-RVDMUPIBSA-N 0 0 432.427 4.956 50 0 IJAARN O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1Sc1ccccn1 ZINC000058161880 556765415 /nfs/dbraw/zinc/76/54/15/556765415.db2.gz NZHTWBDOSUMABS-UHFFFAOYSA-N 0 0 436.924 4.625 50 0 IJAARN Cn1c2ccccc2c(Br)c1C(=O)OCc1csc(-c2ccccn2)n1 ZINC000058162208 556765781 /nfs/dbraw/zinc/76/57/81/556765781.db2.gz BNVDDLYDMAELTR-UHFFFAOYSA-N 0 0 428.311 4.816 50 0 IJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)cc1Cl ZINC000058162345 556766023 /nfs/dbraw/zinc/76/60/23/556766023.db2.gz BXAZWJCEKLZOPV-DEOSSOPVSA-N 0 0 435.955 4.856 50 0 IJAARN COC(=O)c1occc1CN(C(=O)c1ccc(Br)cc1)[C@@H](C)c1ccccn1 ZINC000058203516 556771693 /nfs/dbraw/zinc/77/16/93/556771693.db2.gz RSPLDATWJDKTON-AWEZNQCLSA-N 0 0 443.297 4.627 50 0 IJAARN CC(=O)Nc1cccc2c1N(C(=O)c1cc(-c3cc(C)oc3C)nc3onc(C)c31)CCC2 ZINC000058209890 556771956 /nfs/dbraw/zinc/77/19/56/556771956.db2.gz BSMISFFNVYVMRR-UHFFFAOYSA-N 0 0 444.491 4.959 50 0 IJAARN CCCCn1c(SCc2nccn2CC(F)(F)F)nnc1-c1ccc(OC)cc1 ZINC000058297733 556778375 /nfs/dbraw/zinc/77/83/75/556778375.db2.gz WMSWUACMKCPJRB-UHFFFAOYSA-N 0 0 425.480 4.805 50 0 IJAARN COc1ccccc1CN(C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 ZINC000058342532 556781871 /nfs/dbraw/zinc/78/18/71/556781871.db2.gz YLXGGDAMAYCZBW-IAGOWNOFSA-N 0 0 427.520 4.644 50 0 IJAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000058355100 556782366 /nfs/dbraw/zinc/78/23/66/556782366.db2.gz JPAVIWAPTBRNDY-DEOSSOPVSA-N 0 0 436.556 4.652 50 0 IJAARN Cc1ccccc1NC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000058370420 556783473 /nfs/dbraw/zinc/78/34/73/556783473.db2.gz YQHSIRNUYAZZSP-UHFFFAOYSA-N 0 0 432.895 4.932 50 0 IJAARN O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CC[C@@H]1c1ccccc1 ZINC000058411432 556786251 /nfs/dbraw/zinc/78/62/51/556786251.db2.gz ASPUWAAHCGUUOO-MRXNPFEDSA-N 0 0 435.368 4.708 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000058425310 556787823 /nfs/dbraw/zinc/78/78/23/556787823.db2.gz JYDSHGUYUOVYSR-LLVKDONJSA-N 0 0 427.863 4.818 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000058438723 556788440 /nfs/dbraw/zinc/78/84/40/556788440.db2.gz CGBRWURLLFCELN-UHFFFAOYSA-N 0 0 427.460 4.720 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000059025334 556794250 /nfs/dbraw/zinc/79/42/50/556794250.db2.gz GQBUKRWPTKWVAL-UHFFFAOYSA-N 0 0 435.977 4.901 50 0 IJAARN CCN1c2ccc(NC(=O)c3ccccc3I)c3cccc(c23)C1=O ZINC000001514520 556797545 /nfs/dbraw/zinc/79/75/45/556797545.db2.gz JDBNFPIFVSKWBZ-UHFFFAOYSA-N 0 0 442.256 4.677 50 0 IJAARN COc1cccc(OCCOc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2OC)c1 ZINC000002180174 556799664 /nfs/dbraw/zinc/79/96/64/556799664.db2.gz JNKHAQIBYBAWRF-PXLXIMEGSA-N 0 0 445.471 4.506 50 0 IJAARN COc1ccc(C(=O)C2CCN(Cc3ccc(OC)c(OC)c3Br)CC2)cc1 ZINC000059808929 556804616 /nfs/dbraw/zinc/80/46/16/556804616.db2.gz RJQBURKKBLXUQS-UHFFFAOYSA-N 0 0 448.357 4.570 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000060012716 556805844 /nfs/dbraw/zinc/80/58/44/556805844.db2.gz KCKDGEIFIDTEFQ-ZDUSSCGKSA-N 0 0 435.421 4.844 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)C[C@@H](C)O1 ZINC000060082402 556806345 /nfs/dbraw/zinc/80/63/45/556806345.db2.gz LRXBZONDQQLDIV-CHWSQXEVSA-N 0 0 427.854 4.615 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000003261801 556807457 /nfs/dbraw/zinc/80/74/57/556807457.db2.gz UCQKTGISMGZFEA-UHFFFAOYSA-N 0 0 442.566 4.806 50 0 IJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000003282161 556808529 /nfs/dbraw/zinc/80/85/29/556808529.db2.gz RUTBYNOGEFHFMV-UHFFFAOYSA-N 0 0 437.879 4.917 50 0 IJAARN CN(C)c1ccc(C(=O)OCc2ccc(COC(=O)c3ccc(N(C)C)cc3)cc2)cc1 ZINC000003289622 556808975 /nfs/dbraw/zinc/80/89/75/556808975.db2.gz FAESUBKFDQGGKR-UHFFFAOYSA-N 0 0 432.520 4.533 50 0 IJAARN O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000003310579 556809462 /nfs/dbraw/zinc/80/94/62/556809462.db2.gz JRBOTFKNXDYJRU-UHFFFAOYSA-N 0 0 436.512 4.935 50 0 IJAARN COc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003300241 556811246 /nfs/dbraw/zinc/81/12/46/556811246.db2.gz NXYQIMIOTDEDBJ-SFHVURJKSA-N 0 0 435.476 4.827 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C ZINC000003360717 556811738 /nfs/dbraw/zinc/81/17/38/556811738.db2.gz KGXLKXOLXLAEFT-UHFFFAOYSA-N 0 0 430.555 4.687 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011205247 556812237 /nfs/dbraw/zinc/81/22/37/556812237.db2.gz FIOOZNQJIMQREB-HXUWFJFHSA-N 0 0 439.899 4.578 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(Oc3ccccc3)cc2)c1 ZINC000003566592 556817691 /nfs/dbraw/zinc/81/76/91/556817691.db2.gz RHMKIEIVMWKNNC-UHFFFAOYSA-N 0 0 425.506 4.729 50 0 IJAARN Cc1ccc2nc(COc3cccc(NC(=O)Nc4cc(F)ccc4F)c3)cc(=O)n2c1 ZINC000033068168 556820880 /nfs/dbraw/zinc/82/08/80/556820880.db2.gz CWXKYFXMOHHPHJ-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000064450459 556823837 /nfs/dbraw/zinc/82/38/37/556823837.db2.gz DXCUIEOSMMKFDG-UHFFFAOYSA-N 0 0 425.535 4.594 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCc1cccc(C)c1 ZINC000064450499 556824215 /nfs/dbraw/zinc/82/42/15/556824215.db2.gz QUWLONRRDJXZRB-UHFFFAOYSA-N 0 0 425.535 4.560 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1Cl ZINC000064662031 556825977 /nfs/dbraw/zinc/82/59/77/556825977.db2.gz ZLFNMMKGWZRINI-QHCPKHFHSA-N 0 0 441.984 4.830 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000064816930 556827577 /nfs/dbraw/zinc/82/75/77/556827577.db2.gz KTXQAZQAZGEAGV-UHFFFAOYSA-N 0 0 432.549 4.773 50 0 IJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccc(C)cc2)cc1 ZINC000033068725 556829162 /nfs/dbraw/zinc/82/91/62/556829162.db2.gz FSDJNMDKNQRNKW-UHFFFAOYSA-N 0 0 443.572 4.946 50 0 IJAARN CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1[C@@H]1C[C@@H]1c1ccc(C)cc1 ZINC000019633067 556833399 /nfs/dbraw/zinc/83/33/99/556833399.db2.gz TWUMTSWYBJCVKU-WOJBJXKFSA-N 0 0 441.000 4.939 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 ZINC000019642738 556838117 /nfs/dbraw/zinc/83/81/17/556838117.db2.gz BHKYXJZGXBVITE-XEGUGMAKSA-N 0 0 445.283 4.834 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCC(C(=O)OCC)CC1 ZINC000019645054 556839649 /nfs/dbraw/zinc/83/96/49/556839649.db2.gz QQWBNTRRUUQNDW-UHFFFAOYSA-N 0 0 446.594 4.564 50 0 IJAARN O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000072406054 556842018 /nfs/dbraw/zinc/84/20/18/556842018.db2.gz NNXDYIUFUBZUCK-XMMPIXPASA-N 0 0 431.580 4.973 50 0 IJAARN c1cn(CC[C@H]2CCCCN2Cc2nc(C(c3ccccc3)c3ccccc3)no2)cn1 ZINC000067491413 556843041 /nfs/dbraw/zinc/84/30/41/556843041.db2.gz QAWAZXVILFINJW-HSZRJFAPSA-N 0 0 427.552 4.891 50 0 IJAARN O=C1c2ccccc2/C(=C\c2cccc3cccnc23)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000096812534 556846237 /nfs/dbraw/zinc/84/62/37/556846237.db2.gz UQPLPVUMKDYVOL-HYARGMPZSA-N 0 0 434.451 4.687 50 0 IJAARN O=c1c2ccccc2nc(CN2CCN(c3cccc(Cl)c3)CC2)n1-c1ccc(F)cc1 ZINC000068741473 556849755 /nfs/dbraw/zinc/84/97/55/556849755.db2.gz DMHYHYAANYOITE-UHFFFAOYSA-N 0 0 448.929 4.500 50 0 IJAARN COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3cccc(C)c3)CC2)c1 ZINC000033073618 556852751 /nfs/dbraw/zinc/85/27/51/556852751.db2.gz KDXXSVQYVAMYBH-UHFFFAOYSA-N 0 0 444.535 4.506 50 0 IJAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(-c1cccc(F)c1)c2=O ZINC000033077565 556854772 /nfs/dbraw/zinc/85/47/72/556854772.db2.gz GUQHOIBBEDVUGL-UHFFFAOYSA-N 0 0 447.535 4.957 50 0 IJAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084342 556855370 /nfs/dbraw/zinc/85/53/70/556855370.db2.gz WGRNWYHMHUFGKJ-UHFFFAOYSA-N 0 0 428.989 4.924 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033113469 556860109 /nfs/dbraw/zinc/86/01/09/556860109.db2.gz VEAJGZUOFOSVGW-CQSZACIVSA-N 0 0 441.944 4.855 50 0 IJAARN CCOC(=O)c1c2ccc(C)c(OCC(=O)Nc3cccc(F)c3)c2sc1NC(C)=O ZINC000033113607 556860373 /nfs/dbraw/zinc/86/03/73/556860373.db2.gz FFJJLFHPGXELQJ-UHFFFAOYSA-N 0 0 444.484 4.501 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000033113976 556860753 /nfs/dbraw/zinc/86/07/53/556860753.db2.gz FFKVYGVAMUSELO-UHFFFAOYSA-N 0 0 432.958 4.525 50 0 IJAARN COC(=O)c1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2C(C)C)o1 ZINC000033114578 556861518 /nfs/dbraw/zinc/86/15/18/556861518.db2.gz BRVRITBXKWFUHD-UHFFFAOYSA-N 0 0 437.521 4.655 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4cccc(C)c4)ccc3s2)cc1 ZINC000033116505 556862147 /nfs/dbraw/zinc/86/21/47/556862147.db2.gz PWBTVGAWZKQMJX-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1ccc(OC)c(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000033128659 556865743 /nfs/dbraw/zinc/86/57/43/556865743.db2.gz PCRQZVAHSHDHDA-UHFFFAOYSA-N 0 0 431.492 4.859 50 0 IJAARN CCC[N@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000033126305 556867064 /nfs/dbraw/zinc/86/70/64/556867064.db2.gz MRKRFNATWYXGGS-UHFFFAOYSA-N 0 0 446.551 4.509 50 0 IJAARN Cc1ccccc1CNC(=O)c1cc2c(n(-c3ccc(C(C)C)cc3)c1=O)CCCC2=O ZINC000033126892 556867369 /nfs/dbraw/zinc/86/73/69/556867369.db2.gz IWBAAGIWEAXYHZ-UHFFFAOYSA-N 0 0 428.532 4.718 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1C ZINC000033126724 556867421 /nfs/dbraw/zinc/86/74/21/556867421.db2.gz DSIFDYUJJFPFQT-KRWDZBQOSA-N 0 0 432.495 4.603 50 0 IJAARN CCCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000004672815 556868125 /nfs/dbraw/zinc/86/81/25/556868125.db2.gz GGDGXKZKINEFJY-IWRZYZMASA-N 0 0 430.589 4.573 50 0 IJAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)Nc1ccc2c(c1)OCO2 ZINC000033129519 556868612 /nfs/dbraw/zinc/86/86/12/556868612.db2.gz NTEDOUNVCQWTDS-UHFFFAOYSA-N 0 0 432.461 4.921 50 0 IJAARN COc1cccc(CNC(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033129518 556868639 /nfs/dbraw/zinc/86/86/39/556868639.db2.gz UQBLKCDVSVRFMF-UHFFFAOYSA-N 0 0 432.505 4.879 50 0 IJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCCCN1CCN(c2ccccc2F)CC1 ZINC000033139663 556874547 /nfs/dbraw/zinc/87/45/47/556874547.db2.gz LHBKCIUXASMVKO-UHFFFAOYSA-N 0 0 448.586 4.688 50 0 IJAARN Cc1cc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)ccc1Br ZINC000033140823 556876967 /nfs/dbraw/zinc/87/69/67/556876967.db2.gz PVIQRENXFMTZOD-UHFFFAOYSA-N 0 0 439.313 4.544 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168866 556881280 /nfs/dbraw/zinc/88/12/80/556881280.db2.gz URCADULPDRZBEI-HXUWFJFHSA-N 0 0 448.592 4.559 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033171024 556881690 /nfs/dbraw/zinc/88/16/90/556881690.db2.gz RKKZUBAHYJLFSY-YFHOEESVSA-N 0 0 425.510 4.529 50 0 IJAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)cc1OCC ZINC000033174385 556884297 /nfs/dbraw/zinc/88/42/97/556884297.db2.gz ATUMNGYVENEUIA-SFHVURJKSA-N 0 0 439.581 4.627 50 0 IJAARN Cc1cc(C)n2cc(COC(=O)CSc3cc(C)c(Br)cc3C)nc2n1 ZINC000060561077 556888638 /nfs/dbraw/zinc/88/86/38/556888638.db2.gz PJNHIIUOIKHLIE-UHFFFAOYSA-N 0 0 434.359 4.561 50 0 IJAARN CC1CCN(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033249281 556889041 /nfs/dbraw/zinc/88/90/41/556889041.db2.gz UKVOLMOFOFVSAQ-UHFFFAOYSA-N 0 0 428.941 4.593 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000033249337 556889127 /nfs/dbraw/zinc/88/91/27/556889127.db2.gz SNUAIODJOCTQTK-UHFFFAOYSA-N 0 0 428.941 4.656 50 0 IJAARN CC[C@@H](C(=O)Nc1cc(C)ccc1OC)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251148 556891881 /nfs/dbraw/zinc/89/18/81/556891881.db2.gz HEBZIEONPIDMGK-KRWDZBQOSA-N 0 0 447.457 4.939 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccccc2F)CC1 ZINC000033252376 556892864 /nfs/dbraw/zinc/89/28/64/556892864.db2.gz KHZXSBXNISPMNZ-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000033252318 556892992 /nfs/dbraw/zinc/89/29/92/556892992.db2.gz AMSDVQYZXYUIBX-UHFFFAOYSA-N 0 0 440.931 4.924 50 0 IJAARN O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000033252428 556893190 /nfs/dbraw/zinc/89/31/90/556893190.db2.gz IASIOXGTWYDWOD-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033258229 556896002 /nfs/dbraw/zinc/89/60/02/556896002.db2.gz FCBJURBIBBTNQH-UHFFFAOYSA-N 0 0 441.894 4.761 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033261355 556900522 /nfs/dbraw/zinc/90/05/22/556900522.db2.gz JMIWHZFARWFAIR-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccc(C)cc34)c2)s1 ZINC000033262677 556900953 /nfs/dbraw/zinc/90/09/53/556900953.db2.gz DSHUKZXVCDIHSM-UHFFFAOYSA-N 0 0 447.564 4.505 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000019823943 556925352 /nfs/dbraw/zinc/92/53/52/556925352.db2.gz IBTLSGTZOBMVJM-UHFFFAOYSA-N 0 0 434.521 4.965 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)NC(=Nc2nc3ccccc3o2)N1 ZINC000019891113 556939553 /nfs/dbraw/zinc/93/95/53/556939553.db2.gz FDGFXJOSVYWKIJ-JOCHJYFZSA-N 0 0 441.466 4.992 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000019897562 556940656 /nfs/dbraw/zinc/94/06/56/556940656.db2.gz PVYMDXOKKPAGNA-UHFFFAOYSA-N 0 0 436.924 4.666 50 0 IJAARN Cc1ccccc1C(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000019898581 556941141 /nfs/dbraw/zinc/94/11/41/556941141.db2.gz VMCOJCBQQNQBHD-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN CCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1 ZINC000019898557 556941199 /nfs/dbraw/zinc/94/11/99/556941199.db2.gz PYXVDZNMIADNMB-FCQUAONHSA-N 0 0 429.611 4.890 50 0 IJAARN CCc1c(-c2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)cnn1-c1ccccn1 ZINC000019910352 556943158 /nfs/dbraw/zinc/94/31/58/556943158.db2.gz XAYBYSCDBCQEFU-UHFFFAOYSA-N 0 0 441.442 4.682 50 0 IJAARN CC1(C)CC(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)nc2Nc2ccccc2)C1 ZINC000020028230 556967222 /nfs/dbraw/zinc/96/72/22/556967222.db2.gz AJNZZMBFYOWEIU-UHFFFAOYSA-N 0 0 441.579 4.698 50 0 IJAARN Cc1nc(C)c(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)s1 ZINC000072437731 556973110 /nfs/dbraw/zinc/97/31/10/556973110.db2.gz CXCPVGPZFWPBMC-UHFFFAOYSA-N 0 0 433.541 4.657 50 0 IJAARN Cc1ccc(OCCNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 ZINC000023028333 556978019 /nfs/dbraw/zinc/97/80/19/556978019.db2.gz ZJGCBGVNLOEDDQ-QHCPKHFHSA-N 0 0 436.939 4.705 50 0 IJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000020085928 556979011 /nfs/dbraw/zinc/97/90/11/556979011.db2.gz STIKOXAKRPSMDD-UHFFFAOYSA-N 0 0 444.336 4.669 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 ZINC000020103572 556981349 /nfs/dbraw/zinc/98/13/49/556981349.db2.gz IGVLRHYAKBJRAL-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN CCOCN(C(=O)Cn1c(CN2CCCC2)nc2ccccc21)c1c(C)cccc1CC ZINC000023042554 556985765 /nfs/dbraw/zinc/98/57/65/556985765.db2.gz YJEKTBPKWAECPL-UHFFFAOYSA-N 0 0 434.584 4.530 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000033269047 556987261 /nfs/dbraw/zinc/98/72/61/556987261.db2.gz RQDPBCZAOABWGJ-UHFFFAOYSA-N 0 0 436.512 4.892 50 0 IJAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccc(O)cc2)on1 ZINC000020137463 556988777 /nfs/dbraw/zinc/98/87/77/556988777.db2.gz HSWJYZZIJYONGE-UHFFFAOYSA-N 0 0 429.263 4.851 50 0 IJAARN CCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000097122996 556990840 /nfs/dbraw/zinc/99/08/40/556990840.db2.gz OEJSHSCFIKLGMO-HNNXBMFYSA-N 0 0 442.361 4.934 50 0 IJAARN C[C@@H]1CC[C@H](Cc2nc(C(C)(C)S(=O)(=O)c3ccc(Br)cc3)no2)C1 ZINC000097141556 556992823 /nfs/dbraw/zinc/99/28/23/556992823.db2.gz MRFVEBXRLHTZPX-OLZOCXBDSA-N 0 0 427.364 4.520 50 0 IJAARN CCOC(=O)c1oc2ccccc2c1COC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000023076674 556995690 /nfs/dbraw/zinc/99/56/90/556995690.db2.gz ZJRRHARRGATGEN-UHFFFAOYSA-N 0 0 446.381 4.721 50 0 IJAARN CCc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212612 556998955 /nfs/dbraw/zinc/99/89/55/556998955.db2.gz GJOACKUMOPCMMP-UHFFFAOYSA-N 0 0 438.369 4.614 50 0 IJAARN COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)ccc1F ZINC000020255615 557003679 /nfs/dbraw/zinc/00/36/79/557003679.db2.gz MUJAWZCGENEQDV-QHCPKHFHSA-N 0 0 434.540 4.975 50 0 IJAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000020274354 557005025 /nfs/dbraw/zinc/00/50/25/557005025.db2.gz ANEPEPKJQVMTFC-HSZRJFAPSA-N 0 0 447.535 4.752 50 0 IJAARN Cc1nc(-c2cnn(C)c2)sc1C(=O)O[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000097212525 557005180 /nfs/dbraw/zinc/00/51/80/557005180.db2.gz SJPPXQAGHJNMOW-MRXNPFEDSA-N 0 0 432.343 4.923 50 0 IJAARN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC(C)C)C2=O)c1 ZINC000020353743 557009704 /nfs/dbraw/zinc/00/97/04/557009704.db2.gz RSMRAJXRLPPUBF-HXUWFJFHSA-N 0 0 443.931 4.561 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N[C@H]2CCCC[C@@H]2C)c2ccccc23)c1 ZINC000020355986 557010246 /nfs/dbraw/zinc/01/02/46/557010246.db2.gz OQLKKCQTPNUZHC-LPHOPBHVSA-N 0 0 449.580 4.718 50 0 IJAARN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N(C)Cc1ccc(Br)o1 ZINC000097287196 557013518 /nfs/dbraw/zinc/01/35/18/557013518.db2.gz FANBFBQVMSICPZ-CYBMUJFWSA-N 0 0 426.380 4.685 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5c(C)cccc5C)n4ccn3n2)cc1 ZINC000045971315 557014246 /nfs/dbraw/zinc/01/42/46/557014246.db2.gz FAXCGEYNKITNJR-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020417563 557014434 /nfs/dbraw/zinc/01/44/34/557014434.db2.gz YWKFKMGYHYONAI-UHFFFAOYSA-N 0 0 443.547 4.691 50 0 IJAARN Cc1cccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)c1C ZINC000045994485 557014597 /nfs/dbraw/zinc/01/45/97/557014597.db2.gz KTRKOUYFHRDPEG-UHFFFAOYSA-N 0 0 425.488 4.591 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)Nc1ccc(F)c(Cl)c1 ZINC000045994559 557014893 /nfs/dbraw/zinc/01/48/93/557014893.db2.gz PGDJBFXUUHHITQ-UHFFFAOYSA-N 0 0 449.869 4.767 50 0 IJAARN Cc1cc2nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n2o1 ZINC000045984854 557015683 /nfs/dbraw/zinc/01/56/83/557015683.db2.gz MYMRDGOVQKLEDS-UHFFFAOYSA-N 0 0 431.492 4.725 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N2CCCc4ccccc42)cc3C)cc1 ZINC000045990749 557016482 /nfs/dbraw/zinc/01/64/82/557016482.db2.gz PIVHFXZLUUKENX-UHFFFAOYSA-N 0 0 440.547 4.958 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(O[C@H](C)C(=O)NCc3ccc(Cl)cc3)cc(C)c12 ZINC000045991676 557017065 /nfs/dbraw/zinc/01/70/65/557017065.db2.gz QZGCBZMXQUAEPR-QGZVFWFLSA-N 0 0 434.927 4.774 50 0 IJAARN COc1cccc(CCC(=O)N([C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)c1OC ZINC000072274688 557021033 /nfs/dbraw/zinc/02/10/33/557021033.db2.gz PDPTUFOGOROSFO-QGZVFWFLSA-N 0 0 425.525 4.550 50 0 IJAARN COc1cccc(CNC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022234 557022031 /nfs/dbraw/zinc/02/20/31/557022031.db2.gz OBWXUWQYLLEQRI-UHFFFAOYSA-N 0 0 427.595 4.668 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1OCC ZINC000010733085 557022041 /nfs/dbraw/zinc/02/20/41/557022041.db2.gz DPZYEUMOICVDFE-UHFFFAOYSA-N 0 0 434.492 4.754 50 0 IJAARN CCC[C@@H](NC(=O)c1cc2cc(S(=O)(=O)N(CC)CC)ccc2n1C)c1cccs1 ZINC000046023077 557022887 /nfs/dbraw/zinc/02/28/87/557022887.db2.gz HMBAIEXXJQOIIR-GOSISDBHSA-N 0 0 447.626 4.542 50 0 IJAARN CCCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032240 557024818 /nfs/dbraw/zinc/02/48/18/557024818.db2.gz NKCCMJZVSOPEIS-UHFFFAOYSA-N 0 0 436.556 4.835 50 0 IJAARN CCOCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000010786037 557026901 /nfs/dbraw/zinc/02/69/01/557026901.db2.gz YSGRIEDNLMQBBC-UHFFFAOYSA-N 0 0 439.581 4.677 50 0 IJAARN CC[C@H](NC(=O)COc1c(C)cccc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000072275054 557027223 /nfs/dbraw/zinc/02/72/23/557027223.db2.gz LQPULXZZLXLKSO-KRWDZBQOSA-N 0 0 444.329 4.762 50 0 IJAARN CCc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Br)cc2)cc1 ZINC000046057062 557028688 /nfs/dbraw/zinc/02/86/88/557028688.db2.gz WABIYECNXMNIDP-GOSISDBHSA-N 0 0 438.325 4.814 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057001 557028695 /nfs/dbraw/zinc/02/86/95/557028695.db2.gz IUNXDSBILJFPTP-SFHVURJKSA-N 0 0 438.325 4.869 50 0 IJAARN Cc1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077408 557033066 /nfs/dbraw/zinc/03/30/66/557033066.db2.gz SMNIRLYMLBUUFK-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000046078893 557033832 /nfs/dbraw/zinc/03/38/32/557033832.db2.gz FRPUWUUNDWCABV-UHFFFAOYSA-N 0 0 448.906 4.972 50 0 IJAARN CS(=O)(=O)c1ccc2nc(N(Cc3ccco3)C(=O)/C=C/c3ccccc3)sc2c1 ZINC000010835819 557033943 /nfs/dbraw/zinc/03/39/43/557033943.db2.gz CTDMNBPPGNPEIY-FMIVXFBMSA-N 0 0 438.530 4.539 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4ccccc4C)C3=O)cc2)c1 ZINC000046079424 557034354 /nfs/dbraw/zinc/03/43/54/557034354.db2.gz DSXDHHFFOGRAKY-UHFFFAOYSA-N 0 0 443.547 4.766 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)c1 ZINC000046079570 557034711 /nfs/dbraw/zinc/03/47/11/557034711.db2.gz QTZARIDQVFLBNA-UHFFFAOYSA-N 0 0 447.510 4.597 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000046079804 557035030 /nfs/dbraw/zinc/03/50/30/557035030.db2.gz CTORRFGSVIEGDV-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)s1 ZINC000046123151 557036916 /nfs/dbraw/zinc/03/69/16/557036916.db2.gz COMHXWNSAKTLIE-CQSZACIVSA-N 0 0 444.919 4.603 50 0 IJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181246 557045301 /nfs/dbraw/zinc/04/53/01/557045301.db2.gz LBBOTFUYMWJUOG-YADARESESA-N 0 0 437.584 4.565 50 0 IJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181236 557045437 /nfs/dbraw/zinc/04/54/37/557045437.db2.gz MWWGIONUPWDDSS-DVECYGJZSA-N 0 0 437.584 4.565 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000017269451 557048612 /nfs/dbraw/zinc/04/86/12/557048612.db2.gz PPCSPYRKGWSCHR-HNNXBMFYSA-N 0 0 447.557 4.641 50 0 IJAARN O=C(CCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1)Nc1c(F)cccc1F ZINC000033271007 557048632 /nfs/dbraw/zinc/04/86/32/557048632.db2.gz JIUFGNAXHFWBCO-UHFFFAOYSA-N 0 0 449.870 4.741 50 0 IJAARN CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271474 557049179 /nfs/dbraw/zinc/04/91/79/557049179.db2.gz ZJTRBPRLRRQIAM-INIZCTEOSA-N 0 0 448.548 4.980 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c(OC)c1 ZINC000033271535 557049379 /nfs/dbraw/zinc/04/93/79/557049379.db2.gz TYSJUJVWJQGWCJ-MRXNPFEDSA-N 0 0 434.521 4.590 50 0 IJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)n1 ZINC000048253901 557052583 /nfs/dbraw/zinc/05/25/83/557052583.db2.gz QOHYDQHFUXXXFY-UHFFFAOYSA-N 0 0 436.562 4.931 50 0 IJAARN O=S(=O)(Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1ccc(Cl)cc1 ZINC000033274031 557053252 /nfs/dbraw/zinc/05/32/52/557053252.db2.gz SPFTUDDPYZFGKV-UHFFFAOYSA-N 0 0 440.908 4.943 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1OCC ZINC000017315526 557053424 /nfs/dbraw/zinc/05/34/24/557053424.db2.gz AIAVEUBEAIJPJI-UHFFFAOYSA-N 0 0 434.492 4.922 50 0 IJAARN CCc1cc(Sc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n2nc(C)nc2n1 ZINC000033276006 557054992 /nfs/dbraw/zinc/05/49/92/557054992.db2.gz OUUGGOQGAQQKAY-UHFFFAOYSA-N 0 0 434.525 4.799 50 0 IJAARN COc1ccc(OC)c(NC(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)c1 ZINC000022978215 557055750 /nfs/dbraw/zinc/05/57/50/557055750.db2.gz ILQTVCPSAWMVNI-UHFFFAOYSA-N 0 0 431.916 4.741 50 0 IJAARN CN(CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)[C@@H](c1ccccc1)c1ccccn1 ZINC000048275734 557056001 /nfs/dbraw/zinc/05/60/01/557056001.db2.gz JMRCVNLLTVWFFX-HLTVDCFTSA-N 0 0 434.584 4.587 50 0 IJAARN CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)s1 ZINC000017316906 557057295 /nfs/dbraw/zinc/05/72/95/557057295.db2.gz XPHBGIRJSRKBCJ-UHFFFAOYSA-N 0 0 445.517 4.585 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(Cl)cc2C)c3=O)cc1 ZINC000033277699 557059543 /nfs/dbraw/zinc/05/95/43/557059543.db2.gz DQOWRGNUCBNLSD-UHFFFAOYSA-N 0 0 436.899 4.605 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1 ZINC000048300006 557062049 /nfs/dbraw/zinc/06/20/49/557062049.db2.gz YMTLRGWHSAOHAC-UHFFFAOYSA-N 0 0 434.315 4.993 50 0 IJAARN O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033287254 557064258 /nfs/dbraw/zinc/06/42/58/557064258.db2.gz DQKGXUIHCJWLOW-UHFFFAOYSA-N 0 0 433.911 4.964 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364536 557065078 /nfs/dbraw/zinc/06/50/78/557065078.db2.gz OFCKUMUSHYJKRT-OAHLLOKOSA-N 0 0 427.273 4.747 50 0 IJAARN O=C(Nc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1)c1ccc(Br)o1 ZINC000048324568 557065364 /nfs/dbraw/zinc/06/53/64/557065364.db2.gz QABUFMUNQHNUCK-INIZCTEOSA-N 0 0 441.281 4.548 50 0 IJAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccccc3N(C)c3ccccc3)CC2)c(C)o1 ZINC000048324720 557065535 /nfs/dbraw/zinc/06/55/35/557065535.db2.gz ZNKIHRLNGVVUOC-UHFFFAOYSA-N 0 0 432.524 4.654 50 0 IJAARN O=C(CSc1nccnc1Sc1ccccc1)NCc1ccc(Br)cc1 ZINC000033288892 557066058 /nfs/dbraw/zinc/06/60/58/557066058.db2.gz XMEGHCGNLROXNY-UHFFFAOYSA-N 0 0 446.395 4.799 50 0 IJAARN COc1cc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc(OC)c1 ZINC000033288937 557066481 /nfs/dbraw/zinc/06/64/81/557066481.db2.gz ICACBUWYKLNNGY-UHFFFAOYSA-N 0 0 427.551 4.684 50 0 IJAARN Cc1ccc(COCc2nn(C)c3c2CN(C(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1 ZINC000033282682 557068052 /nfs/dbraw/zinc/06/80/52/557068052.db2.gz CJMQKFCVYXUERG-UHFFFAOYSA-N 0 0 431.580 4.941 50 0 IJAARN CCOc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033283398 557068571 /nfs/dbraw/zinc/06/85/71/557068571.db2.gz NXGLDIYMNZHBJC-UHFFFAOYSA-N 0 0 434.540 4.943 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncnc(N4CCSCC4)c32)cc1 ZINC000033291582 557069795 /nfs/dbraw/zinc/06/97/95/557069795.db2.gz JNQXFJNKZYKBRP-UHFFFAOYSA-N 0 0 443.576 4.599 50 0 IJAARN COc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3c3nc4ccccc4s3)CC2)c1 ZINC000048340169 557070110 /nfs/dbraw/zinc/07/01/10/557070110.db2.gz IYDULPRDFLCZRK-LEWJYISDSA-N 0 0 433.577 4.704 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3ccccc3C)no2)c1C ZINC000033296973 557072936 /nfs/dbraw/zinc/07/29/36/557072936.db2.gz BDUPUOODNBLRIE-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN COc1ccccc1-c1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)n1 ZINC000023221948 557074264 /nfs/dbraw/zinc/07/42/64/557074264.db2.gz ASTLCWFKAQTUCM-UHFFFAOYSA-N 0 0 442.500 4.737 50 0 IJAARN COc1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000023233803 557075528 /nfs/dbraw/zinc/07/55/28/557075528.db2.gz NOKGVUXDRIPLRX-UHFFFAOYSA-N 0 0 437.490 4.913 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033299259 557077390 /nfs/dbraw/zinc/07/73/90/557077390.db2.gz YNJVDHYYSCAIMC-UHFFFAOYSA-N 0 0 428.457 4.872 50 0 IJAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000085817296 557077443 /nfs/dbraw/zinc/07/74/43/557077443.db2.gz RJPQMVZCEOACKV-MRXNPFEDSA-N 0 0 427.386 4.609 50 0 IJAARN Cc1ccc(-n2c(N(C)C)nc3cc(C(=O)NCc4cc(F)cc(F)c4)sc32)cc1 ZINC000033301019 557082987 /nfs/dbraw/zinc/08/29/87/557082987.db2.gz YGZXOSXHEQLZQR-UHFFFAOYSA-N 0 0 426.492 4.670 50 0 IJAARN COc1cccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc32)c1 ZINC000048989335 557083476 /nfs/dbraw/zinc/08/34/76/557083476.db2.gz LHHQBIWBXSNEOU-INIZCTEOSA-N 0 0 435.524 4.876 50 0 IJAARN COc1cc(Nc2nc(-c3nnn(-c4ccc(Cl)cc4)c3C)ns2)cc(OC)c1 ZINC000033302139 557083603 /nfs/dbraw/zinc/08/36/03/557083603.db2.gz HCWURUPRDBNBDV-UHFFFAOYSA-N 0 0 428.905 4.508 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cc(F)ccc4C)CC3=O)c2)c1 ZINC000033308658 557089507 /nfs/dbraw/zinc/08/95/07/557089507.db2.gz UPPRXQKDYZEBIU-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4cc(C)ccc4F)CC3=O)c2)c1 ZINC000033308655 557089529 /nfs/dbraw/zinc/08/95/29/557089529.db2.gz MVWJHVSNMWNVBW-IBGZPJMESA-N 0 0 445.494 4.686 50 0 IJAARN COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(C)c(C)c4)s3)c2C)c1 ZINC000049002381 557090213 /nfs/dbraw/zinc/09/02/13/557090213.db2.gz JDOKTRXCYKVHKM-UHFFFAOYSA-N 0 0 447.564 4.563 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000010903249 557090512 /nfs/dbraw/zinc/09/05/12/557090512.db2.gz SXFOWLGRZYQXPU-INIZCTEOSA-N 0 0 432.351 4.939 50 0 IJAARN O=C(CC1CCCCC1)N1CCC[C@@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311081 557094905 /nfs/dbraw/zinc/09/49/05/557094905.db2.gz QETIMIVNHFLVMC-JOCHJYFZSA-N 0 0 426.601 4.901 50 0 IJAARN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000023506721 557095146 /nfs/dbraw/zinc/09/51/46/557095146.db2.gz FAGYXJIUTAHXGX-OAHLLOKOSA-N 0 0 430.476 4.599 50 0 IJAARN O=C(CSc1nccc(N2CCCCC2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000049399670 557095209 /nfs/dbraw/zinc/09/52/09/557095209.db2.gz MVNSJHWXBQEGFS-UHFFFAOYSA-N 0 0 430.883 4.870 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 ZINC000033311951 557095248 /nfs/dbraw/zinc/09/52/48/557095248.db2.gz GCTZTWLYQRLICJ-UHFFFAOYSA-N 0 0 446.551 4.591 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Oc2ccccc2)cc1OCC ZINC000023533064 557096250 /nfs/dbraw/zinc/09/62/50/557096250.db2.gz WRCQFLAHLAMYJO-UHFFFAOYSA-N 0 0 448.519 4.987 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c(C)c1 ZINC000033312734 557096409 /nfs/dbraw/zinc/09/64/09/557096409.db2.gz YQYRWYFJXYKYKK-LJQANCHMSA-N 0 0 434.561 4.546 50 0 IJAARN CC(C)c1cccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1 ZINC000049401281 557097100 /nfs/dbraw/zinc/09/71/00/557097100.db2.gz DQTGXQJAIDNTJT-UHFFFAOYSA-N 0 0 428.492 4.691 50 0 IJAARN Cc1ccc(CSc2nc(CC(=O)NCc3ccccc3C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000033313185 557098190 /nfs/dbraw/zinc/09/81/90/557098190.db2.gz QDHPFZUDTIGXPG-UHFFFAOYSA-N 0 0 447.482 4.661 50 0 IJAARN O=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccc(Cl)cc1 ZINC000049403629 557099247 /nfs/dbraw/zinc/09/92/47/557099247.db2.gz UIACRAFKALXLOP-UHFFFAOYSA-N 0 0 445.350 4.539 50 0 IJAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc(N2CCCC2)n1 ZINC000033318486 557100168 /nfs/dbraw/zinc/10/01/68/557100168.db2.gz BIXVDFCUQSYLRK-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN C=Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 ZINC000049405205 557100625 /nfs/dbraw/zinc/10/06/25/557100625.db2.gz XGQNUIKLWGEDJT-UHFFFAOYSA-N 0 0 438.940 4.730 50 0 IJAARN Cc1ccc(CNC(=O)CSc2ncccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000049407053 557102593 /nfs/dbraw/zinc/10/25/93/557102593.db2.gz GSKZKCDISXRTNT-UHFFFAOYSA-N 0 0 430.533 4.824 50 0 IJAARN O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1CCC1=CCCCC1 ZINC000017665846 557106525 /nfs/dbraw/zinc/10/65/25/557106525.db2.gz DUWOMOLJDWXECT-UHFFFAOYSA-N 0 0 444.564 4.555 50 0 IJAARN O=C([C@@H](Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1)N1CCCC1 ZINC000017665772 557106541 /nfs/dbraw/zinc/10/65/41/557106541.db2.gz LXRYGYJFLUYWMP-KRWDZBQOSA-N 0 0 444.354 4.955 50 0 IJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(COc3cccc(C)c3)n2)c1 ZINC000033325001 557106998 /nfs/dbraw/zinc/10/69/98/557106998.db2.gz OSISIFISCSYSFE-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)cc1 ZINC000049422174 557109192 /nfs/dbraw/zinc/10/91/92/557109192.db2.gz HFMPELUIZXIVEV-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)c1 ZINC000049422204 557109231 /nfs/dbraw/zinc/10/92/31/557109231.db2.gz YMMYFUGDDMXGDJ-UHFFFAOYSA-N 0 0 428.467 4.884 50 0 IJAARN O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2nc3c(cccc3Cl)s2)CC1 ZINC000049432806 557110234 /nfs/dbraw/zinc/11/02/34/557110234.db2.gz HPNGDKYNKUYNHG-UHFFFAOYSA-N 0 0 440.908 4.740 50 0 IJAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000049548543 557112307 /nfs/dbraw/zinc/11/23/07/557112307.db2.gz WCPHWTGUGPQKNG-MRXNPFEDSA-N 0 0 427.888 4.734 50 0 IJAARN Cc1cc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)sc1-c1ccccc1 ZINC000585152225 557112396 /nfs/dbraw/zinc/11/23/96/557112396.db2.gz CATOXUOEVIMAEK-OAQYLSRUSA-N 0 0 439.602 4.861 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000049550272 557113284 /nfs/dbraw/zinc/11/32/84/557113284.db2.gz QSXGVHZSSQQZHD-KRWDZBQOSA-N 0 0 444.413 4.887 50 0 IJAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000049523140 557114465 /nfs/dbraw/zinc/11/44/65/557114465.db2.gz NLECIGPPXIRUTP-UHFFFAOYSA-N 0 0 443.547 4.986 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N1CCc2ccccc21 ZINC000011367964 557114638 /nfs/dbraw/zinc/11/46/38/557114638.db2.gz DEIYBASKWVQKCK-UHFFFAOYSA-N 0 0 440.503 4.653 50 0 IJAARN O=C(COC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1c[nH]c2ccccc12 ZINC000049580899 557115841 /nfs/dbraw/zinc/11/58/41/557115841.db2.gz UKGVNDAUERDOQU-UHFFFAOYSA-N 0 0 440.499 4.599 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000033331940 557116690 /nfs/dbraw/zinc/11/66/90/557116690.db2.gz CJUHYCHMKBQYHR-CMPWMSKVSA-N 0 0 433.552 4.965 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1OC ZINC000000881562 557116715 /nfs/dbraw/zinc/11/67/15/557116715.db2.gz YKCGSGSCHWIZMH-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCSc4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000023814474 557117703 /nfs/dbraw/zinc/11/77/03/557117703.db2.gz YYPYZURQAORUGO-NRFANRHFSA-N 0 0 433.533 4.578 50 0 IJAARN CN1C(=O)S/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000098086353 557121992 /nfs/dbraw/zinc/12/19/92/557121992.db2.gz QXSYKBHJWMHFEY-CXUHLZMHSA-N 0 0 437.304 4.677 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)NCc1ccco1 ZINC000017838231 557125208 /nfs/dbraw/zinc/12/52/08/557125208.db2.gz XEAFRCHPUFJDQX-UHFFFAOYSA-N 0 0 447.495 4.556 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](NCc2ccccc2CN2CCOCC2)c2ccccc2)c1 ZINC000023908546 557125313 /nfs/dbraw/zinc/12/53/13/557125313.db2.gz KMKMNLDRYMLLCL-HHHXNRCGSA-N 0 0 443.591 4.605 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cc1cccc2ccccc21 ZINC000017862173 557126957 /nfs/dbraw/zinc/12/69/57/557126957.db2.gz FSOIURPMBVWVPL-UHFFFAOYSA-N 0 0 425.326 4.550 50 0 IJAARN Cc1ccc([C@H](C)Nc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)o1 ZINC000023955701 557127696 /nfs/dbraw/zinc/12/76/96/557127696.db2.gz IWLXGMNJERNEGH-HOCLYGCPSA-N 0 0 426.586 4.723 50 0 IJAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023967956 557128432 /nfs/dbraw/zinc/12/84/32/557128432.db2.gz KHXUYXUKTFRHDN-UHFFFAOYSA-N 0 0 443.572 4.833 50 0 IJAARN CC(C)C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000023975568 557128920 /nfs/dbraw/zinc/12/89/20/557128920.db2.gz ZHJHWQJOQPSQLR-HWLIBYHHSA-N 0 0 437.367 4.537 50 0 IJAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023982583 557129442 /nfs/dbraw/zinc/12/94/42/557129442.db2.gz REGIVSLDALLKMR-UHFFFAOYSA-N 0 0 438.553 4.517 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 ZINC000102644486 557129546 /nfs/dbraw/zinc/12/95/46/557129546.db2.gz YTCLHUBKKIDIGF-ZNOIYHFQSA-N 0 0 442.309 4.594 50 0 IJAARN OCCn1c2cc(Cl)ccc2nc1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000023983477 557129685 /nfs/dbraw/zinc/12/96/85/557129685.db2.gz KKACQJMYETZBLA-OAQYLSRUSA-N 0 0 429.998 4.953 50 0 IJAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000017945978 557129990 /nfs/dbraw/zinc/12/99/90/557129990.db2.gz CCQPZMHVIORRKE-LJQANCHMSA-N 0 0 437.971 4.976 50 0 IJAARN CCN(C(=O)CSc1nnc(C(C)C)n1Cc1ccco1)c1nc2ccccc2s1 ZINC000010933788 557137024 /nfs/dbraw/zinc/13/70/24/557137024.db2.gz DUCSBWBLPVNQJF-UHFFFAOYSA-N 0 0 441.582 4.798 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000003144148 557143403 /nfs/dbraw/zinc/14/34/03/557143403.db2.gz CXOHAZSALSDTDK-DEOSSOPVSA-N 0 0 443.547 4.949 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 ZINC000011475191 557152512 /nfs/dbraw/zinc/15/25/12/557152512.db2.gz RXRBUNDGWAOJRV-MRXNPFEDSA-N 0 0 448.317 4.750 50 0 IJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606486 557153050 /nfs/dbraw/zinc/15/30/50/557153050.db2.gz RNAGDSDDRKOBKG-QGZVFWFLSA-N 0 0 442.562 4.580 50 0 IJAARN CCCc1ccc([C@@H](NC(=O)CN2c3ccccc3OCCC2=O)c2cccs2)cc1 ZINC000024648301 557156931 /nfs/dbraw/zinc/15/69/31/557156931.db2.gz MOUDSXWCZIINBD-RUZDIDTESA-N 0 0 434.561 4.722 50 0 IJAARN COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccc(F)cc23)Cc2ccccc2)cc1 ZINC000016957284 557158717 /nfs/dbraw/zinc/15/87/17/557158717.db2.gz BYLUOJLHNRTKDA-UHFFFAOYSA-N 0 0 438.524 4.749 50 0 IJAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1c(F)cccc1F ZINC000024720016 557160766 /nfs/dbraw/zinc/16/07/66/557160766.db2.gz LJKLVHBOTSLFKL-SNVBAGLBSA-N 0 0 426.539 4.652 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2csc(C)n2)cc1 ZINC000024752708 557162713 /nfs/dbraw/zinc/16/27/13/557162713.db2.gz XQQSAGWGMONOLS-CQSZACIVSA-N 0 0 442.562 4.936 50 0 IJAARN O=S(=O)(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)cc1 ZINC000206892247 557165617 /nfs/dbraw/zinc/16/56/17/557165617.db2.gz GSUGXKFOCNPKKR-UHFFFAOYSA-N 0 0 426.498 4.889 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c1C ZINC000000752962 557168567 /nfs/dbraw/zinc/16/85/67/557168567.db2.gz KLMNFGHFLJBYJC-UHFFFAOYSA-N 0 0 429.567 4.585 50 0 IJAARN CCn1cc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c(=O)c2ccc(C)nc21 ZINC000206993393 557169171 /nfs/dbraw/zinc/16/91/71/557169171.db2.gz TXOQKZZNKXRXNC-HXUWFJFHSA-N 0 0 441.984 4.699 50 0 IJAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3Cl)cc1)C2=O ZINC000024837259 557172344 /nfs/dbraw/zinc/17/23/44/557172344.db2.gz FZEULLLVYVBRJW-CMJOXMDJSA-N 0 0 441.915 4.572 50 0 IJAARN Cc1cnc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cn1 ZINC000024842992 557173510 /nfs/dbraw/zinc/17/35/10/557173510.db2.gz GEGFGPFNWOBNLY-MRXNPFEDSA-N 0 0 448.470 4.753 50 0 IJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000024871228 557173687 /nfs/dbraw/zinc/17/36/87/557173687.db2.gz IYDGNYVEVBLTMX-UHFFFAOYSA-N 0 0 439.523 4.766 50 0 IJAARN CC(=O)Nc1nc(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cs1 ZINC000024907217 557178269 /nfs/dbraw/zinc/17/82/69/557178269.db2.gz QOSNVOGOCCICRX-UHFFFAOYSA-N 0 0 436.562 4.710 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2Cl)c2ccccc2)cc1 ZINC000024927557 557180437 /nfs/dbraw/zinc/18/04/37/557180437.db2.gz VRMBIZHTORWRAD-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1nc2ccccc2n1CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000024928532 557180876 /nfs/dbraw/zinc/18/08/76/557180876.db2.gz MVEUILKNGATJOY-UHFFFAOYSA-N 0 0 447.848 4.633 50 0 IJAARN CCc1nnc(SCC(=O)Nc2ccc(Br)c(C)c2)n1-c1ccccc1 ZINC000009095808 557181439 /nfs/dbraw/zinc/18/14/39/557181439.db2.gz MZQKYFNZYLDCHO-UHFFFAOYSA-N 0 0 431.359 4.631 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000009264804 557182778 /nfs/dbraw/zinc/18/27/78/557182778.db2.gz IKCUMDBAYZPRMY-UHFFFAOYSA-N 0 0 442.544 4.528 50 0 IJAARN Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)sc1C ZINC000009265256 557183158 /nfs/dbraw/zinc/18/31/58/557183158.db2.gz PMKQNHJIRVQDIU-AWEZNQCLSA-N 0 0 425.539 4.720 50 0 IJAARN Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)c1 ZINC000024976126 557184700 /nfs/dbraw/zinc/18/47/00/557184700.db2.gz LTYMVOXRVORSAI-UHFFFAOYSA-N 0 0 448.588 4.571 50 0 IJAARN COc1cc(CNC(=O)c2cccc(Nc3ncccn3)c2)ccc1OCc1ccccc1 ZINC000024979258 557185182 /nfs/dbraw/zinc/18/51/82/557185182.db2.gz ZHBKNNNCVHHXMM-UHFFFAOYSA-N 0 0 440.503 4.738 50 0 IJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c(Cl)c1 ZINC000025053130 557191701 /nfs/dbraw/zinc/19/17/01/557191701.db2.gz KLWTUJCSMZNXLL-UHFFFAOYSA-N 0 0 446.981 4.709 50 0 IJAARN CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1O ZINC000009615108 557192193 /nfs/dbraw/zinc/19/21/93/557192193.db2.gz BKZPYRKGIWQIRE-UHFFFAOYSA-N 0 0 430.961 4.615 50 0 IJAARN Cc1cc(CN(C)C(=O)c2cc(-c3ccccc3C(F)(F)F)nc3onc(C)c32)no1 ZINC000025138775 557196145 /nfs/dbraw/zinc/19/61/45/557196145.db2.gz LJDOUZRZWOJGSY-UHFFFAOYSA-N 0 0 430.386 4.786 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000010971853 557197137 /nfs/dbraw/zinc/19/71/37/557197137.db2.gz RBMTUGSJWYFYTG-UHFFFAOYSA-N 0 0 439.899 4.937 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1)c1ccco1 ZINC000010975812 557200429 /nfs/dbraw/zinc/20/04/29/557200429.db2.gz DKONCGDIRMQFCF-UHFFFAOYSA-N 0 0 437.927 4.533 50 0 IJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000072236013 557200796 /nfs/dbraw/zinc/20/07/96/557200796.db2.gz BIPIRBCQQSVIMP-UHFFFAOYSA-N 0 0 447.358 4.716 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000025325047 557204113 /nfs/dbraw/zinc/20/41/13/557204113.db2.gz WDCQCTMEKBRVHF-IFMALSPDSA-N 0 0 441.531 4.561 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1 ZINC000010136581 557207511 /nfs/dbraw/zinc/20/75/11/557207511.db2.gz LLHRIXPRIROHGD-UHFFFAOYSA-N 0 0 432.427 4.859 50 0 IJAARN O=C(CSc1nnc(NCc2ccco2)s1)NC1c2ccccc2-c2ccccc21 ZINC000010981786 557210372 /nfs/dbraw/zinc/21/03/72/557210372.db2.gz GFKZANJMEZXHCO-UHFFFAOYSA-N 0 0 434.546 4.722 50 0 IJAARN COc1ccc(-c2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1OC ZINC000025455124 557210436 /nfs/dbraw/zinc/21/04/36/557210436.db2.gz LOAQNDKVDXKUTN-QFIPXVFZSA-N 0 0 427.504 4.902 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2ncccn2)cc1 ZINC000000797115 557212092 /nfs/dbraw/zinc/21/20/92/557212092.db2.gz OITMRGUQXMGHLC-VXKWHMMOSA-N 0 0 433.558 4.805 50 0 aggregator IJAARN C[C@]1(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)Sc2ccccc2NC1=O ZINC000072243357 557213549 /nfs/dbraw/zinc/21/35/49/557213549.db2.gz ULUWKDRSUVLKPS-HXUWFJFHSA-N 0 0 429.954 4.583 50 0 IJAARN O=C(NCc1csc(-c2ccccc2)n1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000025583157 557216940 /nfs/dbraw/zinc/21/69/40/557216940.db2.gz WBXOLRLZPVFNPZ-UHFFFAOYSA-N 0 0 440.528 4.967 50 0 IJAARN CC(=O)c1cc(C(=O)c2ccc(I)cc2)n2cnc3ccccc3c12 ZINC000025584486 557217330 /nfs/dbraw/zinc/21/73/30/557217330.db2.gz OKRGHAOFHYGWQF-UHFFFAOYSA-N 0 0 440.240 4.526 50 0 IJAARN Brc1ccc([C@H]2CC(c3cccc(Br)c3)=Nc3ncnn32)cc1 ZINC000101071680 557225120 /nfs/dbraw/zinc/22/51/20/557225120.db2.gz DXNJVTVBWKKRKF-MRXNPFEDSA-N 0 0 432.119 4.859 50 0 IJAARN Brc1ccc([C@@H]2CC(c3cccc(Br)c3)=Nc3ncnn32)cc1 ZINC000101071681 557225217 /nfs/dbraw/zinc/22/52/17/557225217.db2.gz DXNJVTVBWKKRKF-INIZCTEOSA-N 0 0 432.119 4.859 50 0 IJAARN Cc1c(C(=O)c2cccc3ccccc32)c2cccc3c2n1[C@H](CN1CCOCC1)CO3 ZINC000025783468 557226206 /nfs/dbraw/zinc/22/62/06/557226206.db2.gz HQVHOQAKMCMIIM-HXUWFJFHSA-N 0 0 426.516 4.600 50 0 in-vivo IJAARN Cc1nn(C)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1Br ZINC000017099460 557226935 /nfs/dbraw/zinc/22/69/35/557226935.db2.gz CZEJWEXOGBLVKM-UHFFFAOYSA-N 0 0 435.391 4.668 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1)[C@@H]1CCCO1 ZINC000025904526 557230030 /nfs/dbraw/zinc/23/00/30/557230030.db2.gz JPEJSBOJYBCZQL-GMAHTHKFSA-N 0 0 432.545 4.654 50 0 IJAARN C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000026055345 557232941 /nfs/dbraw/zinc/23/29/41/557232941.db2.gz WPRIFUYMGSKYIV-GOSISDBHSA-N 0 0 446.580 4.826 50 0 IJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1 ZINC000026071409 557233609 /nfs/dbraw/zinc/23/36/09/557233609.db2.gz UOGNTFWCKXKQTQ-UHFFFAOYSA-N 0 0 425.510 4.636 50 0 IJAARN C[C@H]1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccco2)c2ccccc2S1 ZINC000032950222 557234936 /nfs/dbraw/zinc/23/49/36/557234936.db2.gz MOIFTPFGPCUUDZ-HNNXBMFYSA-N 0 0 440.594 4.806 50 0 IJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000018110784 557237582 /nfs/dbraw/zinc/23/75/82/557237582.db2.gz ZUPLEAVAHSNQSJ-UHFFFAOYSA-N 0 0 435.593 4.605 50 0 IJAARN CCc1nc2sc(C(=O)N(CC)CC(=O)Nc3cc(Cl)ccc3C)c(C)c2c(C)n1 ZINC000026254345 557238031 /nfs/dbraw/zinc/23/80/31/557238031.db2.gz SLTFNCJNFWHCPX-UHFFFAOYSA-N 0 0 444.988 4.933 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000026380554 557240044 /nfs/dbraw/zinc/24/00/44/557240044.db2.gz LSDDWXDWSIAKMI-UHFFFAOYSA-N 0 0 438.959 4.726 50 0 IJAARN CCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000026770312 557247719 /nfs/dbraw/zinc/24/77/19/557247719.db2.gz DYCZJZRYHFTEHP-XMHGGMMESA-N 0 0 432.501 4.694 50 0 IJAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000026783480 557248887 /nfs/dbraw/zinc/24/88/87/557248887.db2.gz ZJTVPVAFGMMYJV-UHFFFAOYSA-N 0 0 429.501 4.718 50 0 IJAARN Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3C(=O)[O-])CC2)c1 ZINC000072265274 557250329 /nfs/dbraw/zinc/25/03/29/557250329.db2.gz USVVOJOLVWMFOF-VWLOTQADSA-N 0 0 428.532 4.549 50 0 IJAARN COc1ccc(CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000005688255 557251541 /nfs/dbraw/zinc/25/15/41/557251541.db2.gz YYKWEZWEXSUPNJ-DEOSSOPVSA-N 0 0 427.548 4.733 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc3c(C)cc(=O)oc3c2)cs1 ZINC000018235600 557253728 /nfs/dbraw/zinc/25/37/28/557253728.db2.gz XLISZTDAKPCITQ-UHFFFAOYSA-N 0 0 432.501 4.501 50 0 IJAARN CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 ZINC000027019179 557254531 /nfs/dbraw/zinc/25/45/31/557254531.db2.gz OQMDWVCSIPWKKY-VHXPQNKSSA-N 0 0 435.574 4.689 50 0 IJAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1C ZINC000027019978 557254815 /nfs/dbraw/zinc/25/48/15/557254815.db2.gz PJNRVXDVWDACFK-RQOTYCFOSA-N 0 0 439.515 4.699 50 0 IJAARN COc1cc2c(cc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12 ZINC000027152562 557258236 /nfs/dbraw/zinc/25/82/36/557258236.db2.gz RCVNUOCLKBUGBL-UHFFFAOYSA-N 0 0 429.881 4.660 50 0 IJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4ccccc4F)CC3)c2c1 ZINC000032953321 557260178 /nfs/dbraw/zinc/26/01/78/557260178.db2.gz VFSDMCVZCZMJHD-UHFFFAOYSA-N 0 0 426.495 4.707 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027344517 557260401 /nfs/dbraw/zinc/26/04/01/557260401.db2.gz QOQUKCKXRAULSY-JOCHJYFZSA-N 0 0 440.950 4.849 50 0 IJAARN COc1cc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)cc(OC)c1OC ZINC000101192256 557263036 /nfs/dbraw/zinc/26/30/36/557263036.db2.gz DBGQRTIXQURXMK-UHFFFAOYSA-N 0 0 435.432 4.640 50 0 IJAARN CC[C@@H](NC(=O)c1oc2ccc(Br)cc2c1C)c1nnc2n1CCCCC2 ZINC000072271643 557263420 /nfs/dbraw/zinc/26/34/20/557263420.db2.gz AOJPPEBRPZVGLS-OAHLLOKOSA-N 0 0 431.334 4.703 50 0 IJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000821197 557268090 /nfs/dbraw/zinc/26/80/90/557268090.db2.gz OXDFUXLHKUOHHC-CQSZACIVSA-N 0 0 426.460 4.521 50 0 IJAARN CCC(=O)Oc1c(OC)cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC ZINC000000822878 557268562 /nfs/dbraw/zinc/26/85/62/557268562.db2.gz OGJRQXJMWJBCBC-LDADJPATSA-N 0 0 437.492 4.661 50 0 IJAARN COc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OC ZINC000027662383 557268896 /nfs/dbraw/zinc/26/88/96/557268896.db2.gz SPLFGAFPFBDZNZ-UHFFFAOYSA-N 0 0 433.917 4.510 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027663504 557269731 /nfs/dbraw/zinc/26/97/31/557269731.db2.gz LMTAZSRLABHLCI-LJQANCHMSA-N 0 0 443.952 4.738 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@H]1COc2ccccc2O1 ZINC000027664591 557270588 /nfs/dbraw/zinc/27/05/88/557270588.db2.gz XSJZDJZSMCBSGH-HXUWFJFHSA-N 0 0 432.407 4.603 50 0 IJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000100722289 557271401 /nfs/dbraw/zinc/27/14/01/557271401.db2.gz FLZQMQNJFHDFPB-BHIFYINESA-N 0 0 436.870 4.526 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)c1nn(-c2ccc(Br)cc2)ccc1=O ZINC000027795245 557274980 /nfs/dbraw/zinc/27/49/80/557274980.db2.gz BUSNSHFVHARABF-UHFFFAOYSA-N 0 0 439.096 4.554 50 0 IJAARN O=[N+]([O-])C(=CNc1ccc(SC(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100943325 557279420 /nfs/dbraw/zinc/27/94/20/557279420.db2.gz PMKJDLRYYOZBCX-NTEUORMPSA-N 0 0 438.836 4.913 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951115 557279658 /nfs/dbraw/zinc/27/96/58/557279658.db2.gz JTORNGPWERPYQQ-GOSISDBHSA-N 0 0 427.570 4.790 50 0 IJAARN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC(C)C)N2[C@H]1c1cccc(Cl)c1 ZINC000101402766 557280381 /nfs/dbraw/zinc/28/03/81/557280381.db2.gz NURZQCIBYRZRJV-FQEVSTJZSA-N 0 0 447.988 4.640 50 0 IJAARN COc1ccc(Cl)cc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101096632 557283034 /nfs/dbraw/zinc/28/30/34/557283034.db2.gz UJJJRZSRHCDKPD-UHFFFAOYSA-N 0 0 448.928 4.610 50 0 IJAARN Cc1ccc(C(=O)CN2c3ccccc3SC2=C2N=C(c3ccccc3)OC2=O)cc1 ZINC000101411091 557284055 /nfs/dbraw/zinc/28/40/55/557284055.db2.gz PEULJRWBQYNIEM-GYHWCHFESA-N 0 0 426.497 4.963 50 0 IJAARN Cc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000101670356 557293392 /nfs/dbraw/zinc/29/33/92/557293392.db2.gz XILZQVQFKSMUHO-JOCHJYFZSA-N 0 0 446.528 4.791 50 0 IJAARN CCCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)C(C)C ZINC000033385287 557295530 /nfs/dbraw/zinc/29/55/30/557295530.db2.gz IFZIVUCIHKFJRQ-UHFFFAOYSA-N 0 0 444.597 4.599 50 0 IJAARN COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013108956 557296354 /nfs/dbraw/zinc/29/63/54/557296354.db2.gz NKVYZHZJGNBQFA-UHFFFAOYSA-N 0 0 432.524 4.590 50 0 IJAARN O=C(Oc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000102096332 557298968 /nfs/dbraw/zinc/29/89/68/557298968.db2.gz OLVTUVGURROYJI-HUVFLSCGSA-N 0 0 425.484 4.979 50 0 IJAARN O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)N1CCC(c2ccccc2)=N1 ZINC000014095320 557302790 /nfs/dbraw/zinc/30/27/90/557302790.db2.gz UJYJWQDLTBUIAT-UHFFFAOYSA-N 0 0 441.354 4.568 50 0 IJAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccnc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101837042 557303198 /nfs/dbraw/zinc/30/31/98/557303198.db2.gz OUOJBVGPRDNNEQ-OAQYLSRUSA-N 0 0 442.910 4.943 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000102652307 557304791 /nfs/dbraw/zinc/30/47/91/557304791.db2.gz JZODCCJOWSBIEW-NVAYYLCWSA-N 0 0 427.891 4.788 50 0 IJAARN CCOCCOC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)c(OC)c1)CC2 ZINC000102957665 557310631 /nfs/dbraw/zinc/31/06/31/557310631.db2.gz KAAYSXPMBJXSSK-OBGWFSINSA-N 0 0 433.504 4.932 50 0 IJAARN CC(C)C[N@@H+]1CCN(c2nc3ccccc3c3nnc(-c4ccc(Cl)cc4)n32)C[C@@H]1C ZINC000102128399 557312948 /nfs/dbraw/zinc/31/29/48/557312948.db2.gz RHDAWXXZLRTUPG-KRWDZBQOSA-N 0 0 434.975 4.764 50 0 IJAARN Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)cc(=O)c2c1 ZINC000032593925 557314084 /nfs/dbraw/zinc/31/40/84/557314084.db2.gz WRIJICAPXXZCPB-UHFFFAOYSA-N 0 0 448.323 4.696 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C2CC2)cc1 ZINC000014189502 557315160 /nfs/dbraw/zinc/31/51/60/557315160.db2.gz WRUQBIPRVQZBQX-UHFFFAOYSA-N 0 0 439.515 4.508 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000102227676 557315782 /nfs/dbraw/zinc/31/57/82/557315782.db2.gz QOFRJFYRVAOCNS-XFQAVAEZSA-N 0 0 427.928 4.669 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 ZINC000102319758 557316462 /nfs/dbraw/zinc/31/64/62/557316462.db2.gz HNUYMRHVXZBNGA-MBOZVWFJSA-N 0 0 430.618 4.958 50 0 IJAARN CC(=O)c1cc(Br)ccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000014199746 557317064 /nfs/dbraw/zinc/31/70/64/557317064.db2.gz KDZNRTHQQFNBBH-UHFFFAOYSA-N 0 0 442.309 4.853 50 0 IJAARN O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000011667516 557320938 /nfs/dbraw/zinc/32/09/38/557320938.db2.gz ZMXUEIGSCMQLDJ-FQEVSTJZSA-N 0 0 447.292 4.977 50 0 IJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000033035945 557322487 /nfs/dbraw/zinc/32/24/87/557322487.db2.gz PQVQPEYDEAPSLV-FQEVSTJZSA-N 0 0 447.501 4.933 50 0 IJAARN O=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1 ZINC000033069191 557323715 /nfs/dbraw/zinc/32/37/15/557323715.db2.gz APPOUZGKYRRVTP-UHFFFAOYSA-N 0 0 440.906 4.723 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000033106569 557326101 /nfs/dbraw/zinc/32/61/01/557326101.db2.gz XZFSGHVGZGDURE-UHFFFAOYSA-N 0 0 425.536 4.747 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1C1CCCC1 ZINC000033249544 557327273 /nfs/dbraw/zinc/32/72/73/557327273.db2.gz YPFUJVUQTUDSIC-HHHXNRCGSA-N 0 0 444.579 4.648 50 0 IJAARN Cc1ccc2[nH]c(CNC(=O)c3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)nc2c1 ZINC000033278976 557329236 /nfs/dbraw/zinc/32/92/36/557329236.db2.gz NVQXOJTXLJNDIP-UHFFFAOYSA-N 0 0 427.439 4.657 50 0 IJAARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000102483138 557330603 /nfs/dbraw/zinc/33/06/03/557330603.db2.gz URZGKTIEKJFVGG-VOIUYBSRSA-N 0 0 426.476 4.910 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1OCC ZINC000033318326 557332814 /nfs/dbraw/zinc/33/28/14/557332814.db2.gz OVZBQUNXTDBVBT-UHFFFAOYSA-N 0 0 435.528 4.644 50 0 IJAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)c1 ZINC000000836690 557336223 /nfs/dbraw/zinc/33/62/23/557336223.db2.gz VZZXRLUZRXGHPG-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(Br)c1OC ZINC000033502168 557336796 /nfs/dbraw/zinc/33/67/96/557336796.db2.gz HPDOOJSGENNJES-OVCLIPMQSA-N 0 0 436.689 4.854 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)N[C@@H](C)CCc3ccccc3)C(=O)C2)cc1 ZINC000102529647 557340650 /nfs/dbraw/zinc/34/06/50/557340650.db2.gz MIJOGDCQSNEJFU-NRFANRHFSA-N 0 0 439.559 4.990 50 0 IJAARN CN(C)c1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023331427 557344165 /nfs/dbraw/zinc/34/41/65/557344165.db2.gz ZPRGWTXAIDGEDS-VWLOTQADSA-N 0 0 433.983 4.953 50 0 IJAARN COc1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)c1 ZINC000014609276 557345205 /nfs/dbraw/zinc/34/52/05/557345205.db2.gz UYVYVEUKVKRNEC-UHFFFAOYSA-N 0 0 432.549 4.726 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(C)cc3)CC2)c1 ZINC000023332557 557345668 /nfs/dbraw/zinc/34/56/68/557345668.db2.gz LUICVCWXUHHHOC-AREMUKBSSA-N 0 0 430.548 4.560 50 0 IJAARN O=S(=O)(c1cccc(Cl)c1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023431940 557355435 /nfs/dbraw/zinc/35/54/35/557355435.db2.gz JCBZVWDLQZAPJN-HSZRJFAPSA-N 0 0 444.959 4.575 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3[C@H](C)C=C[C@@H]3C)cc2)n1 ZINC000023433195 557355689 /nfs/dbraw/zinc/35/56/89/557355689.db2.gz SHYLUBUUAHYTNO-KDURUIRLSA-N 0 0 429.520 4.813 50 0 IJAARN CCOc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000023448528 557356225 /nfs/dbraw/zinc/35/62/25/557356225.db2.gz VWMAOEXXZDBQKM-SANMLTNESA-N 0 0 447.531 4.899 50 0 IJAARN O=C(CSc1c[nH]c2ccccc12)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220930707 557371397 /nfs/dbraw/zinc/37/13/97/557371397.db2.gz UFLGNNKDIPACEO-HNNXBMFYSA-N 0 0 438.578 4.853 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000023685719 557371471 /nfs/dbraw/zinc/37/14/71/557371471.db2.gz MPCIHAZAOIFLCC-UHFFFAOYSA-N 0 0 437.546 4.616 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cc(OC)ccc3OC)C2)cc1 ZINC000102753063 557383433 /nfs/dbraw/zinc/38/34/33/557383433.db2.gz OPKCENXLSILZCK-FPTDNZKUSA-N 0 0 448.479 4.724 50 0 IJAARN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102759498 557384167 /nfs/dbraw/zinc/38/41/67/557384167.db2.gz WETDZGATNOLJMJ-YPAWHYETSA-N 0 0 434.492 4.599 50 0 IJAARN CC[C@@H](CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004927416 557409115 /nfs/dbraw/zinc/40/91/15/557409115.db2.gz SUKFVSRXNOIQTN-CQTINVLISA-N 0 0 426.645 4.820 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)NC(C)(C)C)C2CC2)s1 ZINC000033574780 557412681 /nfs/dbraw/zinc/41/26/81/557412681.db2.gz QMWIFOWOZBKMHS-UHFFFAOYSA-N 0 0 431.577 4.697 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1[C@H](C)c1ccccc1 ZINC000024464625 557414905 /nfs/dbraw/zinc/41/49/05/557414905.db2.gz QGKHJXBUEOHVFL-QGZVFWFLSA-N 0 0 431.565 4.880 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(C)c1)CC2 ZINC000103051988 557416897 /nfs/dbraw/zinc/41/68/97/557416897.db2.gz WRNMAPOFJBYEKC-UUOWRZLLSA-N 0 0 439.600 4.598 50 0 IJAARN CCCC[C@H](CC)C(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC ZINC000103059375 557416917 /nfs/dbraw/zinc/41/69/17/557416917.db2.gz MZTANJNXNYDYAD-JTDSTZFVSA-N 0 0 446.617 4.900 50 0 IJAARN CCc1nc(CC(C)C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccc(C)cc1 ZINC000096317611 557451612 /nfs/dbraw/zinc/45/16/12/557451612.db2.gz UBJHYKPKTVQOKA-UHFFFAOYSA-N 0 0 446.595 4.692 50 0 IJAARN Cc1ccc(-n2nc3c4cc(C(=O)NCc5cccc(Cl)c5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281899 557456125 /nfs/dbraw/zinc/45/61/25/557456125.db2.gz OKGVXUXGYCPFSV-UHFFFAOYSA-N 0 0 442.906 4.710 50 0 IJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000046913685 557513282 /nfs/dbraw/zinc/51/32/82/557513282.db2.gz GOVMXOHJPKGMSP-UHFFFAOYSA-N 0 0 425.414 4.939 50 0 IJAARN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000003243147 557523751 /nfs/dbraw/zinc/52/37/51/557523751.db2.gz SFUZMRUAJQVTNE-JWGURIENSA-N 0 0 430.483 4.655 50 0 IJAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000012062318 557526405 /nfs/dbraw/zinc/52/64/05/557526405.db2.gz PUHXYZSEBGMATF-SFHVURJKSA-N 0 0 439.581 4.617 50 0 IJAARN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000108171085 557542008 /nfs/dbraw/zinc/54/20/08/557542008.db2.gz UUAPHMQOSYIGMQ-HLLBOEOZSA-N 0 0 428.495 4.646 50 0 IJAARN COc1cccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)c1 ZINC000045900545 557546977 /nfs/dbraw/zinc/54/69/77/557546977.db2.gz RIZOBCIXJSRHAH-UHFFFAOYSA-N 0 0 438.871 4.558 50 0 IJAARN CC[C@H](C)NC(=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921490 557547568 /nfs/dbraw/zinc/54/75/68/557547568.db2.gz IKUGCQPEXDYEMT-AWEZNQCLSA-N 0 0 449.418 4.521 50 0 IJAARN CCNC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000004894395 557551043 /nfs/dbraw/zinc/55/10/43/557551043.db2.gz SLPJXGRZFDMHLE-UHFFFAOYSA-N 0 0 425.573 4.524 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000045942094 557551740 /nfs/dbraw/zinc/55/17/40/557551740.db2.gz UXBBZAAZMJGGLF-QHCPKHFHSA-N 0 0 429.472 4.847 50 0 IJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(F)cc1Cl ZINC000045943061 557552202 /nfs/dbraw/zinc/55/22/02/557552202.db2.gz WXAIIXKHKMRZEB-UHFFFAOYSA-N 0 0 433.867 4.744 50 0 IJAARN COc1cccc(CNC(=O)[C@@H](C)Sc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000045943407 557552622 /nfs/dbraw/zinc/55/26/22/557552622.db2.gz KGHBBWHXSQWVME-CYBMUJFWSA-N 0 0 447.354 4.910 50 0 IJAARN Cc1csc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)n1 ZINC000040160529 557709529 /nfs/dbraw/zinc/70/95/29/557709529.db2.gz WQYZTIIALQPUGS-LJQANCHMSA-N 0 0 438.940 4.566 50 0 IJAARN Cc1nnc(Sc2ccc(NC(=O)[C@@H]3CC(c4cc(F)ccc4F)=NO3)c(C)c2)s1 ZINC000225383840 557716985 /nfs/dbraw/zinc/71/69/85/557716985.db2.gz QZOREAQLIPCXAF-SFHVURJKSA-N 0 0 446.504 4.716 50 0 IJAARN Cc1ccc(-c2nnc(CCC(=O)NCC[C@H](O)c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000225448494 557724192 /nfs/dbraw/zinc/72/41/92/557724192.db2.gz HRCQPHRVXOMJPE-SFHVURJKSA-N 0 0 434.323 4.524 50 0 IJAARN CCc1nc(-c2ccc(-c3noc([C@H]4CC(=O)N(c5ccc(OC)cc5)C4)n3)cc2)cs1 ZINC000040454993 557737521 /nfs/dbraw/zinc/73/75/21/557737521.db2.gz ASCKMXLENMPLRA-KRWDZBQOSA-N 0 0 446.532 4.952 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000225610759 557751380 /nfs/dbraw/zinc/75/13/80/557751380.db2.gz KKBDMYDORLGJBR-DFBJGRDBSA-N 0 0 445.563 4.884 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 ZINC000225781557 557777455 /nfs/dbraw/zinc/77/74/55/557777455.db2.gz WPHAOXVNBZJBDY-HSZRJFAPSA-N 0 0 448.935 4.823 50 0 IJAARN COc1ccccc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000226990619 557811657 /nfs/dbraw/zinc/81/16/57/557811657.db2.gz LBRWZPVCECDHRK-YTFSRNRJSA-N 0 0 448.906 4.708 50 0 IJAARN CC(C)Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000012401549 557820892 /nfs/dbraw/zinc/82/08/92/557820892.db2.gz LEUWKQPQFRXBOR-VHXPQNKSSA-N 0 0 441.622 4.890 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000846512 557828984 /nfs/dbraw/zinc/82/89/84/557828984.db2.gz VTEWTLHAOXSWSU-FQEVSTJZSA-N 0 0 438.405 4.551 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2F)cc1 ZINC000000857936 557831587 /nfs/dbraw/zinc/83/15/87/557831587.db2.gz QLLITMQNODDEOQ-UHFFFAOYSA-N 0 0 426.513 4.585 50 0 IJAARN O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776410 557836608 /nfs/dbraw/zinc/83/66/08/557836608.db2.gz WVXMZNBDZCJBFX-WUMKDDEVSA-N 0 0 427.928 4.620 50 0 IJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3Br)C(C)C)n2)cc1 ZINC000238950792 557842247 /nfs/dbraw/zinc/84/22/47/557842247.db2.gz ZMQRJWOZZNPGTD-QGZVFWFLSA-N 0 0 430.302 4.635 50 0 IJAARN CC[C@H](c1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1)N(C)C ZINC000239667832 557845020 /nfs/dbraw/zinc/84/50/20/557845020.db2.gz BRROHCAMCVLOSP-UKRRQHHQSA-N 0 0 444.454 4.595 50 0 IJAARN CC(C)(CO)[C@H](NC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cccs1 ZINC000239760945 557845071 /nfs/dbraw/zinc/84/50/71/557845071.db2.gz CIPPGDSSVNDBFO-JOCHJYFZSA-N 0 0 449.576 4.832 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1ccccc1C ZINC000000872032 557845521 /nfs/dbraw/zinc/84/55/21/557845521.db2.gz SSTWGKQQESCZSQ-UHFFFAOYSA-N 0 0 426.469 4.795 50 0 IJAARN CCN(C(=O)CCc1nc(-c2ccncc2)no1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000241409052 557846390 /nfs/dbraw/zinc/84/63/90/557846390.db2.gz NEEVPIBZPUCINO-OAHLLOKOSA-N 0 0 432.446 4.563 50 0 IJAARN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cc2ccccc2nc1Br ZINC000242292547 557847586 /nfs/dbraw/zinc/84/75/86/557847586.db2.gz YNDLZWKPXNCNMD-UHFFFAOYSA-N 0 0 448.320 4.909 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)c1 ZINC000000884153 557854571 /nfs/dbraw/zinc/85/45/71/557854571.db2.gz DOUWMMHWJRVWAO-PMACEKPBSA-N 0 0 444.457 4.525 50 0 IJAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000001075746 562920323 /nfs/dbraw/zinc/92/03/23/562920323.db2.gz SPRRXHSRYFFKFG-HOTGVXAUSA-N 0 0 444.881 4.700 50 0 IJAARN COc1cc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O ZINC000001106344 562920486 /nfs/dbraw/zinc/92/04/86/562920486.db2.gz RTWUBZKPEZFNIJ-UHFFFAOYSA-N 0 0 426.060 4.699 50 0 IJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)c1ccccc1 ZINC000001153526 562920637 /nfs/dbraw/zinc/92/06/37/562920637.db2.gz NIRHFDRKBJNONG-UHFFFAOYSA-N 0 0 441.578 4.627 50 0 IJAARN O=c1ccc(NS(=O)(=O)c2ccccc2Cl)cn1Cc1ccc(Cl)c(Cl)c1 ZINC000001396491 562921740 /nfs/dbraw/zinc/92/17/40/562921740.db2.gz PQAPPBPANKMKHC-UHFFFAOYSA-N 0 0 443.739 4.658 50 0 IJAARN COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002093365 562925755 /nfs/dbraw/zinc/92/57/55/562925755.db2.gz IKANLDMCFJPGKF-UHFFFAOYSA-N 0 0 433.504 4.765 50 0 biogenic IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1Cc1ccco1 ZINC000002410457 562927450 /nfs/dbraw/zinc/92/74/50/562927450.db2.gz QGFFEGHKRRHRJZ-IBGZPJMESA-N 0 0 436.261 4.894 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1C[C@H]1CCCO1 ZINC000002636950 562929020 /nfs/dbraw/zinc/92/90/20/562929020.db2.gz DYLXBHOFEFCYKH-OAHLLOKOSA-N 0 0 446.573 4.993 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)c1C ZINC000002662759 562929691 /nfs/dbraw/zinc/92/96/91/562929691.db2.gz QVZZYLFPFCGQLO-ZDUSSCGKSA-N 0 0 427.526 4.512 50 0 IJAARN COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)cc1)cn2Cc1ccccc1C ZINC000002687915 562929745 /nfs/dbraw/zinc/92/97/45/562929745.db2.gz ZWXZQOVNJUOKPF-UHFFFAOYSA-N 0 0 433.529 4.508 50 0 IJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 ZINC000002980121 562931420 /nfs/dbraw/zinc/93/14/20/562931420.db2.gz QABOGQUOXNKGFU-HSZRJFAPSA-N 0 0 448.519 4.923 50 0 IJAARN CCCCOc1ccc([C@H](C)NC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000003006234 562931514 /nfs/dbraw/zinc/93/15/14/562931514.db2.gz DTRZZTNBBUERDL-KRWDZBQOSA-N 0 0 437.989 4.701 50 0 aggregator IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)NC2CCCCC2)c1 ZINC000003031833 562931911 /nfs/dbraw/zinc/93/19/11/562931911.db2.gz LAIDODQELJBUQB-UHFFFAOYSA-N 0 0 445.343 4.996 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c1 ZINC000003672720 562937590 /nfs/dbraw/zinc/93/75/90/562937590.db2.gz JATLGFCACVJPSM-UHFFFAOYSA-N 0 0 430.942 4.851 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)c1 ZINC000006348619 562946701 /nfs/dbraw/zinc/94/67/01/562946701.db2.gz ZHJUSQNIRQGNAG-HSZRJFAPSA-N 0 0 435.549 4.558 50 0 IJAARN O=C(Cn1c2ccccc2nc1SCCOc1ccccc1Cl)N1CCCCC1 ZINC000008586862 562950152 /nfs/dbraw/zinc/95/01/52/562950152.db2.gz PZBVXYDVWRWYEC-UHFFFAOYSA-N 0 0 429.973 4.873 50 0 IJAARN CCCCOc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008590078 562951486 /nfs/dbraw/zinc/95/14/86/562951486.db2.gz ZZVNXOFTPOLVQZ-HSZRJFAPSA-N 0 0 443.609 4.818 50 0 IJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)c1C ZINC000008592946 562952481 /nfs/dbraw/zinc/95/24/81/562952481.db2.gz UEDFXPJTRVTUFS-UHFFFAOYSA-N 0 0 442.556 4.744 50 0 IJAARN Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)cc1Cl ZINC000008595911 562953690 /nfs/dbraw/zinc/95/36/90/562953690.db2.gz HXPVPYQVUPBRAY-UHFFFAOYSA-N 0 0 441.984 4.956 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3cccc(Cl)c3)c(C)n2n1 ZINC000008598547 562954305 /nfs/dbraw/zinc/95/43/05/562954305.db2.gz UOEIXGPLPKIDHO-UHFFFAOYSA-N 0 0 448.954 4.924 50 0 IJAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000008601251 562955225 /nfs/dbraw/zinc/95/52/25/562955225.db2.gz YLXRLBYVPOOOJH-SFHVURJKSA-N 0 0 439.480 4.712 50 0 IJAARN COc1ccc(CNC(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc1 ZINC000008603355 562956006 /nfs/dbraw/zinc/95/60/06/562956006.db2.gz FOACLZQYPUHIJX-UHFFFAOYSA-N 0 0 443.547 4.929 50 0 IJAARN CCc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccc(Br)cc3)o2)cc1 ZINC000008610391 562958164 /nfs/dbraw/zinc/95/81/64/562958164.db2.gz GKHCOKLQZGDQBY-HHHXNRCGSA-N 0 0 446.366 4.842 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NC3CCCCCC3)c(=O)c21 ZINC000008611034 562958389 /nfs/dbraw/zinc/95/83/89/562958389.db2.gz DYFQLVMUTFRIJU-UHFFFAOYSA-N 0 0 442.563 4.547 50 0 IJAARN COc1ccccc1NC(=O)CCn1nc(-c2ccccc2OC)c2c1nc(C)cc2C ZINC000008611559 562958724 /nfs/dbraw/zinc/95/87/24/562958724.db2.gz WGKULEGWHKCPJX-UHFFFAOYSA-N 0 0 430.508 4.761 50 0 IJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000008612160 562959040 /nfs/dbraw/zinc/95/90/40/562959040.db2.gz LTMPYUBNWPLKOL-MRXNPFEDSA-N 0 0 449.931 4.672 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008613844 562959471 /nfs/dbraw/zinc/95/94/71/562959471.db2.gz AGZRBECVZPHAMX-UHFFFAOYSA-N 0 0 445.903 4.990 50 0 IJAARN COc1ccc(CCNC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1 ZINC000008654551 562960224 /nfs/dbraw/zinc/96/02/24/562960224.db2.gz CSBXPPPYFYHGHJ-UHFFFAOYSA-N 0 0 433.504 4.683 50 0 biogenic IJAARN Cc1cc2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2c2ccccc12 ZINC000008665027 562960436 /nfs/dbraw/zinc/96/04/36/562960436.db2.gz RIWDNPWRWRQCDB-HXUWFJFHSA-N 0 0 448.523 4.644 50 0 IJAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008671367 562960851 /nfs/dbraw/zinc/96/08/51/562960851.db2.gz LPHZQKMYLPRSMD-LLVKDONJSA-N 0 0 425.341 4.504 50 0 IJAARN O=c1cc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c2ccccc2[nH]1 ZINC000008685416 562962457 /nfs/dbraw/zinc/96/24/57/562962457.db2.gz IDNXUYUSAUIOAG-UHFFFAOYSA-N 0 0 440.528 4.980 50 0 IJAARN Cc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000008774530 562964054 /nfs/dbraw/zinc/96/40/54/562964054.db2.gz VZSHRQFJGUVAAB-UHFFFAOYSA-N 0 0 444.940 4.857 50 0 IJAARN CN(C(=O)CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N21)C1CCCCC1 ZINC000008801947 562964293 /nfs/dbraw/zinc/96/42/93/562964293.db2.gz IOZDANKKISHPMB-QFIPXVFZSA-N 0 0 446.576 4.542 50 0 IJAARN CN(C(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3)c1ccccc1 ZINC000009487797 562971865 /nfs/dbraw/zinc/97/18/65/562971865.db2.gz PCJLRUAPDILPSW-UHFFFAOYSA-N 0 0 436.581 4.607 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 ZINC000009573428 562973404 /nfs/dbraw/zinc/97/34/04/562973404.db2.gz VJCPNDKHQOGMEK-UHFFFAOYSA-N 0 0 443.507 4.734 50 0 IJAARN CSc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 ZINC000009835626 562977328 /nfs/dbraw/zinc/97/73/28/562977328.db2.gz PPDNDUPXDZINNN-UHFFFAOYSA-N 0 0 438.618 4.946 50 0 IJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 ZINC000017013405 563021284 /nfs/dbraw/zinc/02/12/84/563021284.db2.gz AEYHKGGGKBVGEH-UHFFFAOYSA-N 0 0 442.317 4.737 50 0 IJAARN COc1ccc(NC(=O)CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1 ZINC000018002805 563022090 /nfs/dbraw/zinc/02/20/90/563022090.db2.gz PTHNBLFFFZWFMP-UHFFFAOYSA-N 0 0 434.561 4.615 50 0 IJAARN COc1ccc(F)cc1CN1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000054074879 563142175 /nfs/dbraw/zinc/14/21/75/563142175.db2.gz UKMWFZRYWJUUNI-UHFFFAOYSA-N 0 0 434.540 4.828 50 0 IJAARN C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182686 568616000 /nfs/dbraw/zinc/61/60/00/568616000.db2.gz JMUYSAXUESGRJN-WZONZLPQSA-N 0 0 438.572 4.961 50 0 IJAARN CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000018939351 568627425 /nfs/dbraw/zinc/62/74/25/568627425.db2.gz TTZWCYMYANYTGQ-UHFFFAOYSA-N 0 0 443.297 4.508 50 0 IJAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000018992440 568631184 /nfs/dbraw/zinc/63/11/84/568631184.db2.gz CQZIXCZVUDGKAX-INIZCTEOSA-N 0 0 447.299 4.517 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c1 ZINC000000902409 568636292 /nfs/dbraw/zinc/63/62/92/568636292.db2.gz CXSQXCFBGKIBQM-UHFFFAOYSA-N 0 0 429.545 4.792 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)nc1C ZINC000000943701 568641973 /nfs/dbraw/zinc/64/19/73/568641973.db2.gz CZNOJTLOIDKFCO-UHFFFAOYSA-N 0 0 438.549 4.972 50 0 IJAARN COc1ccc(CCNC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)cc1 ZINC000086056769 568642187 /nfs/dbraw/zinc/64/21/87/568642187.db2.gz OFMJCEKVFJUQQU-UHFFFAOYSA-N 0 0 430.957 4.973 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1 ZINC000000948678 568643867 /nfs/dbraw/zinc/64/38/67/568643867.db2.gz SYPWQKQYQIXIRS-UHFFFAOYSA-N 0 0 441.475 4.960 50 0 IJAARN CCOC(=O)[C@H](CC)n1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O ZINC000000958881 568646334 /nfs/dbraw/zinc/64/63/34/568646334.db2.gz NBMSYGMSSGZLBU-AWEZNQCLSA-N 0 0 435.343 4.710 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000000960015 568646528 /nfs/dbraw/zinc/64/65/28/568646528.db2.gz CBMUBLNWCQISQA-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nnnc2N1 ZINC000000954687 568647016 /nfs/dbraw/zinc/64/70/16/568647016.db2.gz BQLTVERCGUDQND-INIZCTEOSA-N 0 0 435.702 4.561 50 0 IJAARN CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000001002436 568650733 /nfs/dbraw/zinc/65/07/33/568650733.db2.gz KXJWTQKSXUBXFN-DLBZAZTESA-N 0 0 428.579 4.740 50 0 IJAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCc4cccc(OC)c4OC)sc3n2)c1 ZINC000001026486 568653144 /nfs/dbraw/zinc/65/31/44/568653144.db2.gz ISYQRJUKMWGLOE-UHFFFAOYSA-N 0 0 449.532 4.501 50 0 IJAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000001104196 568660639 /nfs/dbraw/zinc/66/06/39/568660639.db2.gz LVHWKRBAHJEIPR-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000001138755 568660822 /nfs/dbraw/zinc/66/08/22/568660822.db2.gz ACQOBEIAPVVRKD-UYRXBGFRSA-N 0 0 436.533 4.792 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1cccc(F)c1 ZINC000001157857 568663876 /nfs/dbraw/zinc/66/38/76/568663876.db2.gz UBJYHCGWEIEQSI-UDWIEESQSA-N 0 0 431.419 4.706 50 0 IJAARN CN(C)c1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN(C(=O)c3ccccc3F)C2)cc1 ZINC000034731656 568737768 /nfs/dbraw/zinc/73/77/68/568737768.db2.gz DFSPUEOKIJIMDS-NHCUHLMSSA-N 0 0 445.538 4.776 50 0 IJAARN O=C(NCc1ccc(Br)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000001774885 568739565 /nfs/dbraw/zinc/73/95/65/568739565.db2.gz LHRZUIACEDKFPU-UHFFFAOYSA-N 0 0 433.305 4.868 50 0 IJAARN CC(C)N(C(=O)Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21)c1ccccc1 ZINC000006015138 568740093 /nfs/dbraw/zinc/74/00/93/568740093.db2.gz AIBZILRYQURWIC-UHFFFAOYSA-N 0 0 446.595 4.717 50 0 IJAARN O=c1ccc(C(F)(F)F)cn1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000031625322 568741119 /nfs/dbraw/zinc/74/11/19/568741119.db2.gz GSYHGZBXPWSLDV-UHFFFAOYSA-N 0 0 437.830 4.534 50 0 IJAARN Cc1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)n1C[C@@H]1CCCO1 ZINC000003297041 568745312 /nfs/dbraw/zinc/74/53/12/568745312.db2.gz RWHSTYFHMUNCFV-HNNXBMFYSA-N 0 0 434.323 4.796 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3cccc(C)c3C)s2)cc1 ZINC000003316471 568745884 /nfs/dbraw/zinc/74/58/84/568745884.db2.gz ZXQFFDUCBBBMLG-AWEZNQCLSA-N 0 0 441.582 4.976 50 0 IJAARN C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003348034 568746652 /nfs/dbraw/zinc/74/66/52/568746652.db2.gz MWSJYAQKQNDCQP-CQSZACIVSA-N 0 0 444.940 4.575 50 0 IJAARN CCc1cc2c(ncnc2SCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)s1 ZINC000003357446 568746987 /nfs/dbraw/zinc/74/69/87/568746987.db2.gz USODKCGTQNORPM-JTQLQIEISA-N 0 0 428.608 4.969 50 0 IJAARN CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(OC(F)F)cc1 ZINC000044088120 568747789 /nfs/dbraw/zinc/74/77/89/568747789.db2.gz GYOPQRHWTWLERL-UHFFFAOYSA-N 0 0 434.464 4.805 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000003410885 568748682 /nfs/dbraw/zinc/74/86/82/568748682.db2.gz IYRBDQCUODZXTH-OAQYLSRUSA-N 0 0 449.981 4.755 50 0 IJAARN CN(Cc1csc(Br)c1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000083862039 568783846 /nfs/dbraw/zinc/78/38/46/568783846.db2.gz SJXZBFMBHCUSIP-CYBMUJFWSA-N 0 0 445.791 4.626 50 0 IJAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)c1 ZINC000003655710 568753303 /nfs/dbraw/zinc/75/33/03/568753303.db2.gz UUBXVWMZMLRKQA-HXUWFJFHSA-N 0 0 447.516 4.819 50 0 IJAARN CCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)NC1=S ZINC000003662721 568753934 /nfs/dbraw/zinc/75/39/34/568753934.db2.gz OKDNYOVBKJSYRZ-PDGQHHTCSA-N 0 0 430.957 4.785 50 0 IJAARN COc1ccc(S(=O)(=O)NCCCc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000003765538 568754443 /nfs/dbraw/zinc/75/44/43/568754443.db2.gz BRVHUUHLHAQLCW-UHFFFAOYSA-N 0 0 434.561 4.609 50 0 IJAARN CCOC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)oc(C)c1C(C)=O ZINC000012615526 568754963 /nfs/dbraw/zinc/75/49/63/568754963.db2.gz UYEJPPXVFPHTJL-DEOSSOPVSA-N 0 0 448.519 4.593 50 0 IJAARN Cc1nc(CC(=O)NCc2nc(-c3ccccc3NC(=O)c3ccccc3)oc2C)cs1 ZINC000299776534 568757016 /nfs/dbraw/zinc/75/70/16/568757016.db2.gz LYOOWLNUAQBMFN-UHFFFAOYSA-N 0 0 446.532 4.526 50 0 IJAARN Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1ccc(Br)cc1 ZINC000334157606 568762145 /nfs/dbraw/zinc/76/21/45/568762145.db2.gz RTIBLNGYGZWWQP-UHFFFAOYSA-N 0 0 439.140 4.925 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001243017 568774657 /nfs/dbraw/zinc/77/46/57/568774657.db2.gz JKWQIZONLKQHEN-QFIPXVFZSA-N 0 0 446.503 4.713 50 0 IJAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000001264156 568775410 /nfs/dbraw/zinc/77/54/10/568775410.db2.gz NTECHAFSAMCXEC-UHFFFAOYSA-N 0 0 437.487 4.831 50 0 IJAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccncc3)cc(C(F)(F)F)c12 ZINC000001278187 568775987 /nfs/dbraw/zinc/77/59/87/568775987.db2.gz GPJPZFNBDOVCLX-UHFFFAOYSA-N 0 0 443.406 4.919 50 0 IJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)cc1 ZINC000263616021 568776359 /nfs/dbraw/zinc/77/63/59/568776359.db2.gz GNPLQIYCRSOESB-GOSISDBHSA-N 0 0 442.397 4.899 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)cc1OC ZINC000263616544 568776822 /nfs/dbraw/zinc/77/68/22/568776822.db2.gz JJFOSDMFEFRIHQ-MRXNPFEDSA-N 0 0 431.851 4.524 50 0 IJAARN CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)c(Cl)nc2c1 ZINC000001296355 568778825 /nfs/dbraw/zinc/77/88/25/568778825.db2.gz ZVCIQGRKYAUFKK-NRFANRHFSA-N 0 0 443.956 4.706 50 0 IJAARN O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C1CCN(C(=O)C2CC2)CC1 ZINC000025792441 568780482 /nfs/dbraw/zinc/78/04/82/568780482.db2.gz MFRMEVNLHGLWAW-UHFFFAOYSA-N 0 0 430.907 4.645 50 0 IJAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4c(F)cccc4F)c12)OC(C)(C)CC3 ZINC000032104288 568781027 /nfs/dbraw/zinc/78/10/27/568781027.db2.gz RZECFNUTKJWDQP-UHFFFAOYSA-N 0 0 429.419 4.501 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3n2)cc1 ZINC000004181752 568786864 /nfs/dbraw/zinc/78/68/64/568786864.db2.gz ZHLLOYNXRBKQNB-UHFFFAOYSA-N 0 0 434.805 4.900 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2SCc2ccco2)CC1 ZINC000032212544 568787443 /nfs/dbraw/zinc/78/74/43/568787443.db2.gz RQKGWUXRISTAGH-UHFFFAOYSA-N 0 0 434.561 4.741 50 0 IJAARN O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000001409914 568787509 /nfs/dbraw/zinc/78/75/09/568787509.db2.gz DQPRZLMDTMQIOB-LVWGJNHUSA-N 0 0 434.908 4.581 50 0 IJAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C)c1ccc(F)cc1 ZINC000025894144 568787864 /nfs/dbraw/zinc/78/78/64/568787864.db2.gz OULRTHJBNFRNBP-KBPBESRZSA-N 0 0 448.951 4.545 50 0 IJAARN Clc1ccc(-c2cc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)n[nH]2)cc1Cl ZINC000002802510 568789424 /nfs/dbraw/zinc/78/94/24/568789424.db2.gz OHHMOVLCKUZWPK-UHFFFAOYSA-N 0 0 447.289 4.827 50 0 IJAARN COc1ccc(NC(=O)[C@H](c2cccs2)N(Cc2ccc(C)cc2)C(C)=O)c(OC)c1 ZINC000001413079 568789837 /nfs/dbraw/zinc/78/98/37/568789837.db2.gz BILLWRNDBZSTNE-QHCPKHFHSA-N 0 0 438.549 4.802 50 0 IJAARN Cc1ccsc1[C@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001422028 568793357 /nfs/dbraw/zinc/79/33/57/568793357.db2.gz HEFRAVIBLFBWNT-WOJBJXKFSA-N 0 0 427.909 4.970 50 0 IJAARN CCOC(=O)C1C(CNc2ccc(C)c(Cl)c2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001423288 568793559 /nfs/dbraw/zinc/79/35/59/568793559.db2.gz BGPUZZZKKFICPH-NRFANRHFSA-N 0 0 427.932 4.548 50 0 IJAARN Cc1nc2sc(C(=O)Nc3ccccc3I)c(N)c2c(C)c1C ZINC000001428488 568794217 /nfs/dbraw/zinc/79/42/17/568794217.db2.gz WVQHRRHLJPQOBZ-UHFFFAOYSA-N 0 0 437.306 4.661 50 0 IJAARN CCOC(=O)CCCSc1nnc(-c2cc(OC)cc(OC)c2)n1-c1ccc(C)cc1 ZINC000004212732 568796982 /nfs/dbraw/zinc/79/69/82/568796982.db2.gz ICKLDDUIQPPZJU-UHFFFAOYSA-N 0 0 441.553 4.695 50 0 IJAARN C[C@@H](CCO)CNC(=O)Nc1ccc(-c2nc3cc(Br)ccc3s2)cc1 ZINC000084637333 568799295 /nfs/dbraw/zinc/79/92/95/568799295.db2.gz JKYCCOAHIJQLLQ-LBPRGKRZSA-N 0 0 434.359 4.866 50 0 IJAARN CC1(C)Cc2nc(NC(=O)c3ccccc3NC(=O)c3ccsc3)sc2C(=O)C1 ZINC000084673772 568799772 /nfs/dbraw/zinc/79/97/72/568799772.db2.gz UPGYTOZZKPMGLF-UHFFFAOYSA-N 0 0 425.535 4.864 50 0 IJAARN Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c2=N)cc1 ZINC000015659202 568801255 /nfs/dbraw/zinc/80/12/55/568801255.db2.gz ZXVJPIBUWFDBNA-UHFFFAOYSA-N 0 0 434.337 4.924 50 0 IJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000015669153 568801897 /nfs/dbraw/zinc/80/18/97/568801897.db2.gz YTXREKBONILCFE-UHFFFAOYSA-N 0 0 437.931 4.670 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000015675493 568803907 /nfs/dbraw/zinc/80/39/07/568803907.db2.gz FGGJLSKIUGTQRP-MHZLTWQESA-N 0 0 447.579 4.921 50 0 IJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(Cc2cccnc2)C3=O)o1 ZINC000015675700 568804017 /nfs/dbraw/zinc/80/40/17/568804017.db2.gz IIKAITQDUKEECL-AREMUKBSSA-N 0 0 448.567 4.582 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccco1 ZINC000015678200 568804744 /nfs/dbraw/zinc/80/47/44/568804744.db2.gz DKGIWEUCWAKNQN-SANMLTNESA-N 0 0 449.551 4.985 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000015682272 568807103 /nfs/dbraw/zinc/80/71/03/568807103.db2.gz KXYQOCCAOWUPAU-YTTGMZPUSA-N 0 0 445.544 4.591 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000015705125 568807550 /nfs/dbraw/zinc/80/75/50/568807550.db2.gz YTUXCOOFPZRHDE-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032493220 568811385 /nfs/dbraw/zinc/81/13/85/568811385.db2.gz OXZYEANTTLSPJM-GOSISDBHSA-N 0 0 448.523 4.693 50 0 IJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c3ncsc32)cc1 ZINC000015729834 568813719 /nfs/dbraw/zinc/81/37/19/568813719.db2.gz IVCSAVDYDHALLU-ZDUSSCGKSA-N 0 0 449.985 4.765 50 0 IJAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000015731966 568814998 /nfs/dbraw/zinc/81/49/98/568814998.db2.gz ZKBRYIPKOKNXLQ-UHFFFAOYSA-N 0 0 428.583 4.525 50 0 IJAARN CCOc1cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC ZINC000006047691 568815691 /nfs/dbraw/zinc/81/56/91/568815691.db2.gz OVBTVHPGXUUTQQ-UHFFFAOYSA-N 0 0 430.541 4.825 50 0 IJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC ZINC000085411908 568818125 /nfs/dbraw/zinc/81/81/25/568818125.db2.gz NGNIIZWBRXIISN-HXUWFJFHSA-N 0 0 431.558 4.984 50 0 IJAARN COc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 ZINC000001453405 568819039 /nfs/dbraw/zinc/81/90/39/568819039.db2.gz LNRQJWXGFRFHKS-UHFFFAOYSA-N 0 0 433.327 4.523 50 0 IJAARN Cc1nc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc2n1-c1ccccc1 ZINC000015758858 568820875 /nfs/dbraw/zinc/82/08/75/568820875.db2.gz XXDVOWAYZBQEGF-UHFFFAOYSA-N 0 0 426.520 4.661 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 ZINC000013009774 568821950 /nfs/dbraw/zinc/82/19/50/568821950.db2.gz MWWQPMHDNQNMMO-UHFFFAOYSA-N 0 0 442.523 4.521 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CCCOc3ccc(Cl)c(C)c3)nc2c1 ZINC000006101389 568825036 /nfs/dbraw/zinc/82/50/36/568825036.db2.gz PZVOXONAJRAKER-UHFFFAOYSA-N 0 0 435.977 4.567 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)CC2CCCC2)c1C ZINC000085711255 568835001 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O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000001518535 568841482 /nfs/dbraw/zinc/84/14/82/568841482.db2.gz VYEAGFMTDYKNTQ-UHFFFAOYSA-N 0 0 427.485 4.869 50 0 IJAARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C=CN(S(C)(=O)=O)C=C[C@@H]12 ZINC000005179829 568842042 /nfs/dbraw/zinc/84/20/42/568842042.db2.gz PERYMQRKZWVYHA-KZHJIPFUSA-N 0 0 431.557 4.741 50 0 IJAARN CCC(=O)[C@@H](CCC1(C)SCCCS1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000101144264 568843698 /nfs/dbraw/zinc/84/36/98/568843698.db2.gz JMRUFJXYLBYPPI-ZWKOTPCHSA-N 0 0 435.611 4.538 50 0 IJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(OC)cc3OC)cc2s1 ZINC000015861824 568848267 /nfs/dbraw/zinc/84/82/67/568848267.db2.gz MPIWTAYINGHNQC-UHFFFAOYSA-N 0 0 427.526 4.623 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)c2cc(OC)cc(OC)c2)C2CCCCC2)c1C ZINC000015862483 568848837 /nfs/dbraw/zinc/84/88/37/568848837.db2.gz HVBICHFXBJLXAF-UHFFFAOYSA-N 0 0 442.556 4.801 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)c1C ZINC000015862513 568848867 /nfs/dbraw/zinc/84/88/67/568848867.db2.gz QHCLCVUAOLVBLH-UHFFFAOYSA-N 0 0 426.538 4.721 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000015862525 568848878 /nfs/dbraw/zinc/84/88/78/568848878.db2.gz MFNBQINAVHUXQE-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN COc1cc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc(OC)c1OC ZINC000015863591 568849278 /nfs/dbraw/zinc/84/92/78/568849278.db2.gz FDKRLLAOVJITLE-UHFFFAOYSA-N 0 0 445.519 4.935 50 0 IJAARN CCc1ccc(OCc2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2C)cc1 ZINC000015865330 568850144 /nfs/dbraw/zinc/85/01/44/568850144.db2.gz ZZJKHICBSRCLSU-UHFFFAOYSA-N 0 0 434.565 4.707 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870218 568851690 /nfs/dbraw/zinc/85/16/90/568851690.db2.gz UCXAAJLJLPPIOI-UHFFFAOYSA-N 0 0 429.567 4.924 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000015870173 568851771 /nfs/dbraw/zinc/85/17/71/568851771.db2.gz XDZKCEJIIJGRMN-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(Cl)c2)cs1 ZINC000015880767 568854249 /nfs/dbraw/zinc/85/42/49/568854249.db2.gz UEBMHAGLZQZDIG-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN O=C(Nc1cccc2c1CCCC2)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012936835 568866160 /nfs/dbraw/zinc/86/61/60/568866160.db2.gz FVIHEIGPKDSHJH-UHFFFAOYSA-N 0 0 432.973 4.646 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000016047473 568868896 /nfs/dbraw/zinc/86/88/96/568868896.db2.gz XEIQTNRRXAFKGJ-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000012949428 568871818 /nfs/dbraw/zinc/87/18/18/568871818.db2.gz OETBUZAUADMWBU-GFCCVEGCSA-N 0 0 430.580 4.741 50 0 IJAARN CC(=O)c1ccc(N2CCN(Cn3nc(Nc4ccccc4F)sc3=S)CC2)cc1 ZINC000016346924 568877332 /nfs/dbraw/zinc/87/73/32/568877332.db2.gz PBVGIVQHBUYKQP-UHFFFAOYSA-N 0 0 443.573 4.539 50 0 IJAARN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CC[C@@]2(C)C(=O)CC[C@@H]12 ZINC000169620872 568883765 /nfs/dbraw/zinc/88/37/65/568883765.db2.gz FJZWJWKNZPCVAV-WIOPSUGQSA-N 0 0 437.561 4.745 50 0 IJAARN CCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1OCC ZINC000089267965 568887555 /nfs/dbraw/zinc/88/75/55/568887555.db2.gz NKOKOBFDXQUROX-UHFFFAOYSA-N 0 0 447.487 4.511 50 0 IJAARN Cc1cccc(NC(=O)CN2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c1C ZINC000012978618 568891780 /nfs/dbraw/zinc/89/17/80/568891780.db2.gz NRUFVIIIBZPZCB-UHFFFAOYSA-N 0 0 441.984 4.568 50 0 IJAARN COc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)c(OC)c1 ZINC000012979347 568891986 /nfs/dbraw/zinc/89/19/86/568891986.db2.gz LVZZERAZKUJFBV-RUZDIDTESA-N 0 0 434.536 4.833 50 0 IJAARN CC(C)(C)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 ZINC000014013656 568892841 /nfs/dbraw/zinc/89/28/41/568892841.db2.gz DXEYOZXURLSFKD-RGEXLXHISA-N 0 0 426.513 4.590 50 0 IJAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012998790 568897926 /nfs/dbraw/zinc/89/79/26/568897926.db2.gz LQMAAQWXTMENDD-FQEVSTJZSA-N 0 0 428.891 4.542 50 0 IJAARN CCn1c2ccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cc2nc(C)c1=O ZINC000013005999 568899364 /nfs/dbraw/zinc/89/93/64/568899364.db2.gz PSTSDQANLLMYRF-FQEVSTJZSA-N 0 0 432.549 4.702 50 0 IJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccc2OC)n1 ZINC000013012882 568901191 /nfs/dbraw/zinc/90/11/91/568901191.db2.gz FUGPIIJZYHOCIS-OAHLLOKOSA-N 0 0 436.537 4.892 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1NC(C)=O ZINC000013016908 568901649 /nfs/dbraw/zinc/90/16/49/568901649.db2.gz LGSZPEGEQXODIC-UHFFFAOYSA-N 0 0 425.510 4.803 50 0 IJAARN CCCNC(=O)[C@@H](C)Sc1nc2scc(-c3cccs3)c2c(=O)n1CC(C)C ZINC000013021982 568902210 /nfs/dbraw/zinc/90/22/10/568902210.db2.gz FCAQFCQTVRFMQV-CYBMUJFWSA-N 0 0 435.640 4.849 50 0 IJAARN CCOCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000001774650 568906287 /nfs/dbraw/zinc/90/62/87/568906287.db2.gz PSZMVNBKOWOGNH-KRWDZBQOSA-N 0 0 426.465 4.549 50 0 IJAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000245255838 568913764 /nfs/dbraw/zinc/91/37/64/568913764.db2.gz LQKZKLFCIIATAJ-TVMWTZSWSA-N 0 0 448.950 4.597 50 0 IJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@H]3C2=O)c(C)c1 ZINC000245311096 568914633 /nfs/dbraw/zinc/91/46/33/568914633.db2.gz MJRFWFVTWDACHE-DNVJHFABSA-N 0 0 434.442 4.633 50 0 IJAARN COC(=O)c1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)c1 ZINC000064370089 568920017 /nfs/dbraw/zinc/92/00/17/568920017.db2.gz IHXHMUVBPTUENP-UHFFFAOYSA-N 0 0 437.550 4.551 50 0 IJAARN CCCC[C@H](CC)C(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC ZINC000016571787 568922284 /nfs/dbraw/zinc/92/22/84/568922284.db2.gz MZTANJNXNYDYAD-TXPKVOOTSA-N 0 0 446.617 4.900 50 0 IJAARN CC[C@H](C)[C@H](NC(=O)Nc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000016572435 568922319 /nfs/dbraw/zinc/92/23/19/568922319.db2.gz ASSMMRZAVWVPKK-LPHOPBHVSA-N 0 0 437.569 4.997 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001953986 568923741 /nfs/dbraw/zinc/92/37/41/568923741.db2.gz QEIOBCFXHRQFAE-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001857640 568924938 /nfs/dbraw/zinc/92/49/38/568924938.db2.gz NIBGOVUZKQSLCH-UHFFFAOYSA-N 0 0 443.455 4.682 50 0 biogenic IJAARN O=C(COc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000016601995 568925155 /nfs/dbraw/zinc/92/51/55/568925155.db2.gz PYWBPGIGULGVJV-UHFFFAOYSA-N 0 0 432.307 4.828 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(NC(=O)c3ccccc3C)c2)N2CCCSC2=N1 ZINC000016613777 568925726 /nfs/dbraw/zinc/92/57/26/568925726.db2.gz MJKCKNICUUWRCI-JOCHJYFZSA-N 0 0 449.576 4.934 50 0 IJAARN O=[N+]([O-])c1ccc(F)c(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000252609054 568926217 /nfs/dbraw/zinc/92/62/17/568926217.db2.gz HQDYSDFXVYLGST-UHFFFAOYSA-N 0 0 444.430 4.852 50 0 IJAARN CN(C)c1ccc(C=NNc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000252618440 568926399 /nfs/dbraw/zinc/92/63/99/568926399.db2.gz LGSHUDJQQYXEAT-UHFFFAOYSA-N 0 0 443.576 4.838 50 0 IJAARN COc1cc(OC)c(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1Cl ZINC000064439008 568928252 /nfs/dbraw/zinc/92/82/52/568928252.db2.gz FZHWMWGGIYAMIS-UHFFFAOYSA-N 0 0 429.904 4.957 50 0 IJAARN COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452547 568929495 /nfs/dbraw/zinc/92/94/95/568929495.db2.gz KSWGZGQBSSGZMU-FPOVZHCZSA-N 0 0 446.551 4.680 50 0 IJAARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccs1 ZINC000016653490 568929580 /nfs/dbraw/zinc/92/95/80/568929580.db2.gz FARYFDKWCWJACR-UHFFFAOYSA-N 0 0 447.553 4.953 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000006560270 568931162 /nfs/dbraw/zinc/93/11/62/568931162.db2.gz ZZCIRJIYAHTRGD-UHFFFAOYSA-N 0 0 429.582 4.824 50 0 IJAARN CCCCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O ZINC000006557952 568931270 /nfs/dbraw/zinc/93/12/70/568931270.db2.gz UVOKIXGKRZTVJH-UHFFFAOYSA-N 0 0 425.554 4.716 50 0 IJAARN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccs2)cc1 ZINC000064558496 568932349 /nfs/dbraw/zinc/93/23/49/568932349.db2.gz KXXYXQQNKDOBDA-FQEVSTJZSA-N 0 0 439.558 4.692 50 0 IJAARN CSc1cccc(NC(=O)N2CCc3c(c(COCc4cccc(F)c4)nn3C)C2)c1 ZINC000064565898 568932714 /nfs/dbraw/zinc/93/27/14/568932714.db2.gz XEYYXLLGRQHSDX-UHFFFAOYSA-N 0 0 440.544 4.588 50 0 IJAARN COc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4OC)ncn3)c2)cc1 ZINC000064578468 568933910 /nfs/dbraw/zinc/93/39/10/568933910.db2.gz XDUQHRPHQMAFPE-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CCOC(=O)c1sc2nc(CN3CCCCCC3)nc(N3CCCCCC3)c2c1C ZINC000006585102 568933913 /nfs/dbraw/zinc/93/39/13/568933913.db2.gz NOZLOOSXODZAGU-UHFFFAOYSA-N 0 0 430.618 4.933 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccccc4)ncn3)cc2)c(OC)c1 ZINC000064578335 568934141 /nfs/dbraw/zinc/93/41/41/568934141.db2.gz KPSSIZMFWYUGMT-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000064581043 568934552 /nfs/dbraw/zinc/93/45/52/568934552.db2.gz MENJYJSVPAIKRW-UHFFFAOYSA-N 0 0 430.302 4.685 50 0 IJAARN Cc1noc(C)c1COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000089529458 568936431 /nfs/dbraw/zinc/93/64/31/568936431.db2.gz DUHYCRRJRGVHNR-UHFFFAOYSA-N 0 0 430.570 4.970 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1nc(-c2ccccc2)cc(NC(=O)C(C)C)c1=O ZINC000064605290 568939465 /nfs/dbraw/zinc/93/94/65/568939465.db2.gz VEIZLZCABPURON-HSZRJFAPSA-N 0 0 446.551 4.711 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000002065636 568941449 /nfs/dbraw/zinc/94/14/49/568941449.db2.gz JQYHKEDGVCUUAR-VXGBXAGGSA-N 0 0 445.279 4.938 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000002065637 568941635 /nfs/dbraw/zinc/94/16/35/568941635.db2.gz JQYHKEDGVCUUAR-RYUDHWBXSA-N 0 0 445.279 4.938 50 0 IJAARN CCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)c1 ZINC000064656743 568942211 /nfs/dbraw/zinc/94/22/11/568942211.db2.gz CMVLNMCEFBXYRY-SFHVURJKSA-N 0 0 427.547 4.762 50 0 IJAARN COc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2C)CC3)cc1 ZINC000064660207 568942489 /nfs/dbraw/zinc/94/24/89/568942489.db2.gz JXSGEBPOMKFGRC-UHFFFAOYSA-N 0 0 434.970 4.528 50 0 IJAARN CCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000064667970 568942945 /nfs/dbraw/zinc/94/29/45/568942945.db2.gz PMSULBBGLHSZSZ-KRWDZBQOSA-N 0 0 427.614 4.832 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000064668019 568943145 /nfs/dbraw/zinc/94/31/45/568943145.db2.gz WFGPFVORFNNHAU-UHFFFAOYSA-N 0 0 429.561 4.559 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)n2C)n1 ZINC000064668257 568943169 /nfs/dbraw/zinc/94/31/69/568943169.db2.gz DGRHCVBJWHUURX-UHFFFAOYSA-N 0 0 440.388 4.637 50 0 IJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc(Br)cc1 ZINC000064676132 568943918 /nfs/dbraw/zinc/94/39/18/568943918.db2.gz RSWGITWJIWQDEX-UHFFFAOYSA-N 0 0 426.339 4.684 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(c2ccccc2F)CC1 ZINC000064677183 568944028 /nfs/dbraw/zinc/94/40/28/568944028.db2.gz DGASPXCGJIKMMP-UHFFFAOYSA-N 0 0 446.551 4.767 50 0 IJAARN CCOc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063938 568945116 /nfs/dbraw/zinc/94/51/16/568945116.db2.gz VPUOFJFTKSAJIM-SFHVURJKSA-N 0 0 425.529 4.643 50 0 IJAARN CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000036083584 568947247 /nfs/dbraw/zinc/94/72/47/568947247.db2.gz BMZJFBSSRITHBY-XMMPIXPASA-N 0 0 436.552 4.821 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)c1nnn(Cc2ccccc2Cl)c1-n1cccc1 ZINC000064744050 568948880 /nfs/dbraw/zinc/94/88/80/568948880.db2.gz VRFQZAHKUQKEBY-UHFFFAOYSA-N 0 0 426.307 4.985 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O ZINC000064746950 568950253 /nfs/dbraw/zinc/95/02/53/568950253.db2.gz NXMMHIDLSXPWOA-UHFFFAOYSA-N 0 0 440.528 4.929 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(C)cc4C)CC3=O)c2)cc1 ZINC000064754706 568950960 /nfs/dbraw/zinc/95/09/60/568950960.db2.gz HVEFBPONZKNPDS-NRFANRHFSA-N 0 0 441.531 4.856 50 0 IJAARN COc1cc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)cc(OC)c1 ZINC000064758027 568952235 /nfs/dbraw/zinc/95/22/35/568952235.db2.gz GYDKRULRELYSLA-UHFFFAOYSA-N 0 0 426.542 4.650 50 0 IJAARN COc1ccccc1CN(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102945 568952948 /nfs/dbraw/zinc/95/29/48/568952948.db2.gz WCBRMCPHLMXWDF-QFIPXVFZSA-N 0 0 429.919 4.930 50 0 IJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3ccccc3C(F)(F)F)s2)n1 ZINC000064769359 568953152 /nfs/dbraw/zinc/95/31/52/568953152.db2.gz TZMKOKGZTLRTAC-UHFFFAOYSA-N 0 0 432.514 4.931 50 0 IJAARN COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cccc(Cl)c4C)c(=O)[nH]c3C2)cc1 ZINC000064775487 568954714 /nfs/dbraw/zinc/95/47/14/568954714.db2.gz VASYFXBDEOMNFV-OAHLLOKOSA-N 0 0 436.895 4.510 50 0 IJAARN COc1cccc(OC)c1OCc1nc(CN(C(=O)c2ccccc2)C(C)C)cs1 ZINC000036114929 568955238 /nfs/dbraw/zinc/95/52/38/568955238.db2.gz HIVSYWDMFGCYLX-UHFFFAOYSA-N 0 0 426.538 4.790 50 0 IJAARN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)c(C)c1 ZINC000036118654 568955918 /nfs/dbraw/zinc/95/59/18/568955918.db2.gz ZMNCSAFHOOWWPO-OAQYLSRUSA-N 0 0 440.609 4.517 50 0 IJAARN CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)c1ccccc1 ZINC000036119409 568956126 /nfs/dbraw/zinc/95/61/26/568956126.db2.gz ZVFMSJVMSHCUHU-HSZRJFAPSA-N 0 0 448.588 4.804 50 0 IJAARN CC(C)CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C(=O)C(C)C ZINC000036119695 568956789 /nfs/dbraw/zinc/95/67/89/568956789.db2.gz AVELERCGPRZPRQ-JOCHJYFZSA-N 0 0 442.625 4.784 50 0 IJAARN CCOc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788003 568956793 /nfs/dbraw/zinc/95/67/93/568956793.db2.gz HFSFZNWVNJRWOH-UHFFFAOYSA-N 0 0 425.897 4.727 50 0 IJAARN CCOc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000064788004 568956997 /nfs/dbraw/zinc/95/69/97/568956997.db2.gz FEYGLCJBRPGPQD-UHFFFAOYSA-N 0 0 425.897 4.727 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)[C@@H](C)CC ZINC000036119908 568957008 /nfs/dbraw/zinc/95/70/08/568957008.db2.gz IDQZTCXMXZTNBW-RXVVDRJESA-N 0 0 428.598 4.598 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C(C)C ZINC000036120358 568957452 /nfs/dbraw/zinc/95/74/52/568957452.db2.gz OCBWNMLZLRRCKR-HXUWFJFHSA-N 0 0 446.588 4.675 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCOCC2)n1 ZINC000064801100 568960944 /nfs/dbraw/zinc/96/09/44/568960944.db2.gz AYJKZQNZRNBOMX-UHFFFAOYSA-N 0 0 439.519 4.771 50 0 IJAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 ZINC000064801346 568960972 /nfs/dbraw/zinc/96/09/72/568960972.db2.gz ACFJZTHBTVTEJV-UHFFFAOYSA-N 0 0 432.528 4.572 50 0 IJAARN CC(C)(C)OC[C@@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145982 568962220 /nfs/dbraw/zinc/96/22/20/568962220.db2.gz YYKWXHIMKIRGAC-SFTDATJTSA-N 0 0 448.966 4.650 50 0 IJAARN CCNC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722765 568963210 /nfs/dbraw/zinc/96/32/10/568963210.db2.gz LNPLCFURXJVHFY-QGZVFWFLSA-N 0 0 428.552 4.720 50 0 IJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccccc2Cl)C(C)C)c1 ZINC000006723248 568963845 /nfs/dbraw/zinc/96/38/45/568963845.db2.gz YLSGPJLDHXSWKC-UHFFFAOYSA-N 0 0 430.980 4.987 50 0 IJAARN Cc1nc2[nH]c(N(Cc3ccc(C(C)C)cc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C ZINC000064813917 568963868 /nfs/dbraw/zinc/96/38/68/568963868.db2.gz DJQRHZCXZOYDKI-UHFFFAOYSA-N 0 0 449.942 4.658 50 0 IJAARN O=C(c1cccs1)N1CCS[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000036155364 568964708 /nfs/dbraw/zinc/96/47/08/568964708.db2.gz OQYGNZYTOJVAQJ-JOCHJYFZSA-N 0 0 440.977 4.990 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(C(F)(F)F)c3)n(Cc3ccco3)c(=O)c21 ZINC000064817521 568964729 /nfs/dbraw/zinc/96/47/29/568964729.db2.gz GLPSGJUZZSCACH-UHFFFAOYSA-N 0 0 448.470 4.874 50 0 IJAARN O=C(c1cccs1)N1CCS[C@]12C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 ZINC000036155417 568964758 /nfs/dbraw/zinc/96/47/58/568964758.db2.gz NEPSZMVLDMYDMM-JOCHJYFZSA-N 0 0 440.977 4.990 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819141 568966012 /nfs/dbraw/zinc/96/60/12/568966012.db2.gz JUBYSLAHZQUUMR-UHFFFAOYSA-N 0 0 435.837 4.656 50 0 IJAARN O=C([O-])c1ccc(N2CCC(CC[NH+]3CCCCC3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000064820623 568967163 /nfs/dbraw/zinc/96/71/63/568967163.db2.gz KFVFHTYBEILTQI-UHFFFAOYSA-N 0 0 435.568 4.730 50 0 IJAARN O=C(Nc1ccccc1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036161620 568967562 /nfs/dbraw/zinc/96/75/62/568967562.db2.gz PWOCBVPAOCXMLH-DEOSSOPVSA-N 0 0 433.508 4.806 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164248 568968034 /nfs/dbraw/zinc/96/80/34/568968034.db2.gz QKLQEBWDVBPSJY-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN Cc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccccc3C(F)(F)F)no2)c(C)c1 ZINC000064840577 568969876 /nfs/dbraw/zinc/96/98/76/568969876.db2.gz RWRILJFEFGVFGC-UHFFFAOYSA-N 0 0 448.445 4.991 50 0 IJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cccc(SC)c3)no2)cc1 ZINC000064840442 568969956 /nfs/dbraw/zinc/96/99/56/568969956.db2.gz ZLXQASOIBYXORW-UHFFFAOYSA-N 0 0 426.542 4.639 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c(C)c1 ZINC000064848092 568971351 /nfs/dbraw/zinc/97/13/51/568971351.db2.gz JIUMRDDODLJNKQ-UHFFFAOYSA-N 0 0 441.984 4.853 50 0 biogenic IJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1C ZINC000064848175 568971507 /nfs/dbraw/zinc/97/15/07/568971507.db2.gz YDHICGOBCCZXHU-UHFFFAOYSA-N 0 0 435.593 4.816 50 0 biogenic IJAARN CCCCOc1ccc(CNC(=O)CC2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000064847148 568972167 /nfs/dbraw/zinc/97/21/67/568972167.db2.gz APBOVIHPTKUETJ-UHFFFAOYSA-N 0 0 429.605 4.626 50 0 IJAARN Cc1ccccc1CNC(=O)CC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000064847218 568972275 /nfs/dbraw/zinc/97/22/75/568972275.db2.gz MDZCYMXFRGWSPU-UHFFFAOYSA-N 0 0 433.474 4.964 50 0 IJAARN Cc1nc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2n(Cc2ccccc2)c1=O ZINC000064859330 568972456 /nfs/dbraw/zinc/97/24/56/568972456.db2.gz SUELHAPLKARSPV-LJQANCHMSA-N 0 0 425.532 4.504 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C)c(F)c2)=Nc2ccccc2N1 ZINC000064869764 568976529 /nfs/dbraw/zinc/97/65/29/568976529.db2.gz QMIGCNSRQDZNCE-UHFFFAOYSA-N 0 0 427.501 4.799 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cc(C)ccc2OC)=Nc2ccccc2N1 ZINC000064869816 568976558 /nfs/dbraw/zinc/97/65/58/568976558.db2.gz UTAJEBXKHUCIAB-UHFFFAOYSA-N 0 0 439.537 4.668 50 0 IJAARN O=C(Nc1ccc(Br)cc1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000064872553 568978116 /nfs/dbraw/zinc/97/81/16/568978116.db2.gz RTJCGIZPPDXWOJ-UHFFFAOYSA-N 0 0 437.341 4.761 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1F ZINC000064873440 568978454 /nfs/dbraw/zinc/97/84/54/568978454.db2.gz FJCRADWVBASWSH-UHFFFAOYSA-N 0 0 447.441 4.650 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000064888021 568979176 /nfs/dbraw/zinc/97/91/76/568979176.db2.gz BNTQBNGSRUTPBF-UHFFFAOYSA-N 0 0 425.941 4.644 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888176 568979413 /nfs/dbraw/zinc/97/94/13/568979413.db2.gz SESNGUAMVHSJOS-UHFFFAOYSA-N 0 0 447.604 4.923 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2cccc(Cl)c2)cc1 ZINC000036247397 568982314 /nfs/dbraw/zinc/98/23/14/568982314.db2.gz IZGRAZVILWQASP-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000036247496 568982320 /nfs/dbraw/zinc/98/23/20/568982320.db2.gz DYGJPJVBXUVUAH-UHFFFAOYSA-N 0 0 432.904 4.833 50 0 IJAARN COc1ccccc1CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000036248512 568982726 /nfs/dbraw/zinc/98/27/26/568982726.db2.gz VGJTWCHPDVMECT-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN COc1cccc(CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000036248810 568983432 /nfs/dbraw/zinc/98/34/32/568983432.db2.gz MTWIBUVOZFSBQA-UHFFFAOYSA-N 0 0 445.512 4.555 50 0 IJAARN CC1(C(=O)NCc2ccc(F)cc2)CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000064928054 568986890 /nfs/dbraw/zinc/98/68/90/568986890.db2.gz CAKDYIUOXCQGBV-UHFFFAOYSA-N 0 0 448.336 4.539 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929097 568987458 /nfs/dbraw/zinc/98/74/58/568987458.db2.gz IRJPMCIBFRBZBY-OAQYLSRUSA-N 0 0 448.542 4.604 50 0 IJAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1Cl ZINC000064929082 568987463 /nfs/dbraw/zinc/98/74/63/568987463.db2.gz WNGWJQOCKSDSBG-INIZCTEOSA-N 0 0 440.906 4.800 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064929963 568988360 /nfs/dbraw/zinc/98/83/60/568988360.db2.gz WNBNNUUFSSELIZ-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1C ZINC000064930345 568988698 /nfs/dbraw/zinc/98/86/98/568988698.db2.gz NOWHRQYKQPGSQF-SFHVURJKSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c(C)c1 ZINC000064930386 568988880 /nfs/dbraw/zinc/98/88/80/568988880.db2.gz WWLYCVPEOSQRSU-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2oc1-c1nc(-c2cccnc2)no1 ZINC000064948586 568994416 /nfs/dbraw/zinc/99/44/16/568994416.db2.gz MRKHLIOLPNGECK-UHFFFAOYSA-N 0 0 446.488 4.962 50 0 IJAARN COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(Br)cc3)cs2)c1N ZINC000064948703 568994552 /nfs/dbraw/zinc/99/45/52/568994552.db2.gz IANUAJDIEGKZCQ-UHFFFAOYSA-N 0 0 442.342 4.720 50 0 IJAARN CCOc1ccc(-n2nc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064949800 568995464 /nfs/dbraw/zinc/99/54/64/568995464.db2.gz HSYVPRHXZVTJKH-UHFFFAOYSA-N 0 0 428.423 4.641 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1OC ZINC000036312566 568997792 /nfs/dbraw/zinc/99/77/92/568997792.db2.gz DBGNEDIIQFTXIR-UHFFFAOYSA-N 0 0 449.551 4.629 50 0 IJAARN COc1ccc(NC(=O)N2CCN(Cc3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 ZINC000064957087 568999451 /nfs/dbraw/zinc/99/94/51/568999451.db2.gz FUXQLMZGUXQBCS-UHFFFAOYSA-N 0 0 442.519 4.853 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315446 568999633 /nfs/dbraw/zinc/99/96/33/568999633.db2.gz DBCGMOUDSOAGRE-LJQANCHMSA-N 0 0 443.849 4.825 50 0 IJAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000064972210 569076901 /nfs/dbraw/zinc/07/69/01/569076901.db2.gz QGYDWSDALITZLH-RUZDIDTESA-N 0 0 448.588 4.873 50 0 IJAARN Cc1ccc(OCc2cc(=O)n3ccsc3n2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000064976735 569077292 /nfs/dbraw/zinc/07/72/92/569077292.db2.gz LBGAXBHYLMGBQO-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000036340934 569078948 /nfs/dbraw/zinc/07/89/48/569078948.db2.gz JYMMBMNLYANFMC-SANMLTNESA-N 0 0 427.548 4.813 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341651 569079371 /nfs/dbraw/zinc/07/93/71/569079371.db2.gz CEPWPHHPKLJCHR-VWLOTQADSA-N 0 0 443.547 4.514 50 0 IJAARN COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN(C)Cc2ccccc2)c1 ZINC000036345647 569080688 /nfs/dbraw/zinc/08/06/88/569080688.db2.gz ZNSCOPGUCCBWAB-SANMLTNESA-N 0 0 427.548 4.813 50 0 IJAARN CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036345990 569080842 /nfs/dbraw/zinc/08/08/42/569080842.db2.gz CDYPOPOKDHKAFJ-OAQYLSRUSA-N 0 0 441.547 4.722 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C(C)C ZINC000064987276 569082462 /nfs/dbraw/zinc/08/24/62/569082462.db2.gz KCJMCXLGSPAGNG-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN C[C@@H]1Cc2ccc(CNC(=O)c3ccc(Br)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989872 569083134 /nfs/dbraw/zinc/08/31/34/569083134.db2.gz CKNACLKPBOPTJI-MRXNPFEDSA-N 0 0 449.348 4.971 50 0 IJAARN COc1cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc(OC)c1 ZINC000064990348 569083248 /nfs/dbraw/zinc/08/32/48/569083248.db2.gz XVBZZHNCRSMZPY-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc(OC)c1 ZINC000064990615 569083332 /nfs/dbraw/zinc/08/33/32/569083332.db2.gz GZSRTPCOUWMYLC-QGZVFWFLSA-N 0 0 445.519 4.617 50 0 IJAARN O=C(NC[C@H](O)c1ccccc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036356875 569084445 /nfs/dbraw/zinc/08/44/45/569084445.db2.gz AITDBXZSZYVUAR-LOSJGSFVSA-N 0 0 440.543 4.593 50 0 IJAARN CC(C)(C)NC(=O)N1CCC(CN2C(=O)CS[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000006836133 569084721 /nfs/dbraw/zinc/08/47/21/569084721.db2.gz AXGGXLCXYMGVMM-NRFANRHFSA-N 0 0 431.646 4.778 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 ZINC000036358577 569085290 /nfs/dbraw/zinc/08/52/90/569085290.db2.gz OWNSKVOZOLQMHT-UHFFFAOYSA-N 0 0 430.247 4.920 50 0 IJAARN CCN(C(=O)c1c2c(cn(-c3ccc(C)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccccc1 ZINC000065000420 569085901 /nfs/dbraw/zinc/08/59/01/569085901.db2.gz YLLKXSRMXBGIHL-UHFFFAOYSA-N 0 0 428.532 4.968 50 0 IJAARN CN(Cc1ccccc1)C(=O)c1c2c(cn(-c3ccc(Cl)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000851 569086052 /nfs/dbraw/zinc/08/60/52/569086052.db2.gz KMCXOSCUGPQYET-UHFFFAOYSA-N 0 0 448.950 4.918 50 0 IJAARN Cc1ccccc1NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999760 569086250 /nfs/dbraw/zinc/08/62/50/569086250.db2.gz JFODTVFIZARWGK-UHFFFAOYSA-N 0 0 426.563 4.760 50 0 IJAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c(C)c1 ZINC000065009065 569087873 /nfs/dbraw/zinc/08/78/73/569087873.db2.gz GIWIFJRNEPLCNU-UHFFFAOYSA-N 0 0 432.615 4.721 50 0 IJAARN Cc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009251 569087903 /nfs/dbraw/zinc/08/79/03/569087903.db2.gz GPAQUNANAMORPU-UHFFFAOYSA-N 0 0 426.517 4.509 50 0 IJAARN CSc1ccc(CNC(=O)COc2nc(C)nc3onc(-c4ccc(C)c(C)c4)c32)cc1 ZINC000065024897 569089181 /nfs/dbraw/zinc/08/91/81/569089181.db2.gz ZPNDVMPTWWXUQQ-UHFFFAOYSA-N 0 0 448.548 4.627 50 0 IJAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023665 569089281 /nfs/dbraw/zinc/08/92/81/569089281.db2.gz GXZFBWNFGYOLBY-KRWDZBQOSA-N 0 0 437.341 4.761 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1 ZINC000065023832 569089460 /nfs/dbraw/zinc/08/94/60/569089460.db2.gz KHANXTNMGCQAOR-UHFFFAOYSA-N 0 0 444.579 4.774 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000065029819 569091162 /nfs/dbraw/zinc/09/11/62/569091162.db2.gz JBBSHGLLZMYICI-UHFFFAOYSA-N 0 0 434.393 4.873 50 0 IJAARN COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)C(F)(F)F)cc21 ZINC000065034025 569091887 /nfs/dbraw/zinc/09/18/87/569091887.db2.gz XEFPMRIMCXLENM-UHFFFAOYSA-N 0 0 438.789 4.608 50 0 IJAARN CCCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c(-c2ccc(Cl)cc2)n1 ZINC000169756971 569093919 /nfs/dbraw/zinc/09/39/19/569093919.db2.gz MJSMUHNOVMCLFI-UHFFFAOYSA-N 0 0 446.334 4.817 50 0 IJAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000065058956 569095475 /nfs/dbraw/zinc/09/54/75/569095475.db2.gz ROEHGRYBALVCDT-OAQYLSRUSA-N 0 0 448.336 4.539 50 0 IJAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCCc4ccccc4)c3)cn2)c1 ZINC000065057985 569095489 /nfs/dbraw/zinc/09/54/89/569095489.db2.gz QUYICBQABXKSTN-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cc(Cl)ccc3C)C2)c1 ZINC000065058820 569095547 /nfs/dbraw/zinc/09/55/47/569095547.db2.gz HXAOAJLKOXTDHP-QHCPKHFHSA-N 0 0 429.948 4.607 50 0 IJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000065059059 569096001 /nfs/dbraw/zinc/09/60/01/569096001.db2.gz PGHXECZAXJSCTD-JOCHJYFZSA-N 0 0 444.373 4.708 50 0 IJAARN CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059732 569096166 /nfs/dbraw/zinc/09/61/66/569096166.db2.gz OJSAUGUBXADZLL-QGZVFWFLSA-N 0 0 439.537 4.511 50 0 IJAARN CCc1ccccc1NC(=O)[C@H](C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062109 569097068 /nfs/dbraw/zinc/09/70/68/569097068.db2.gz YSMJTYUUBJZBPG-CQSZACIVSA-N 0 0 441.018 4.639 50 0 IJAARN Cc1ccc(-c2csc(NCCCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)s1 ZINC000036393124 569098443 /nfs/dbraw/zinc/09/84/43/569098443.db2.gz WWVZANSOCRRLGH-UHFFFAOYSA-N 0 0 444.601 4.860 50 0 IJAARN CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000065074538 569098995 /nfs/dbraw/zinc/09/89/95/569098995.db2.gz WMZBEVKBZPUEES-QGZVFWFLSA-N 0 0 439.537 4.511 50 0 IJAARN COc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000065074939 569099269 /nfs/dbraw/zinc/09/92/69/569099269.db2.gz JBQVAFMFUOUZEA-HHHXNRCGSA-N 0 0 428.532 4.590 50 0 IJAARN Cc1nn(-c2cccc(F)c2)c2nc(N3CCC[C@@H](C(=O)NC4CCCCC4)C3)sc12 ZINC000065081189 569101325 /nfs/dbraw/zinc/10/13/25/569101325.db2.gz RODVVKNISQAONG-MRXNPFEDSA-N 0 0 441.576 4.595 50 0 IJAARN CC(C)OCCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772747 569101771 /nfs/dbraw/zinc/10/17/71/569101771.db2.gz HJIJHRZJVVFYNN-XMMPIXPASA-N 0 0 434.580 4.670 50 0 IJAARN O=C(NCCc1ccncc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000169773991 569102085 /nfs/dbraw/zinc/10/20/85/569102085.db2.gz KOQUBVALNALRII-RUZDIDTESA-N 0 0 439.559 4.887 50 0 IJAARN CCc1cccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2ccncc2)c1 ZINC000065083314 569102157 /nfs/dbraw/zinc/10/21/57/569102157.db2.gz IHKFOECCLGYSDW-UHFFFAOYSA-N 0 0 429.549 4.544 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)CO2)c1cccc(Cl)c1 ZINC000065082741 569102368 /nfs/dbraw/zinc/10/23/68/569102368.db2.gz HSKYZEDHVITTOL-SFHVURJKSA-N 0 0 426.944 4.982 50 0 IJAARN O=S(=O)(NCc1ccccc1Cl)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098034 569104588 /nfs/dbraw/zinc/10/45/88/569104588.db2.gz FGACBBXVDYPOSU-UHFFFAOYSA-N 0 0 449.916 4.736 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(NCc2ccc(C)cc2)nc1=O ZINC000065101814 569105938 /nfs/dbraw/zinc/10/59/38/569105938.db2.gz WRUOBLAYNMCFMF-UHFFFAOYSA-N 0 0 426.520 4.518 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(N(C)c2ccccc2)c2ccccc21 ZINC000065102012 569105963 /nfs/dbraw/zinc/10/59/63/569105963.db2.gz MHWLOLUREXVKPB-UHFFFAOYSA-N 0 0 432.911 4.765 50 0 IJAARN COc1cccc(NC(=O)Cn2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc32)c1 ZINC000065111310 569106441 /nfs/dbraw/zinc/10/64/41/569106441.db2.gz SHJCFOJVRCMOKF-UHFFFAOYSA-N 0 0 439.475 4.709 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)c1 ZINC000065111408 569106454 /nfs/dbraw/zinc/10/64/54/569106454.db2.gz XPAADFNTNNLOEC-UHFFFAOYSA-N 0 0 432.524 4.722 50 0 IJAARN CC(=O)Nc1ccc(-c2noc(C3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc1 ZINC000065111574 569107624 /nfs/dbraw/zinc/10/76/24/569107624.db2.gz SFXUKYNXJNNMEH-UHFFFAOYSA-N 0 0 442.878 4.507 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000065112070 569107968 /nfs/dbraw/zinc/10/79/68/569107968.db2.gz QPWFSVKGTDMUPK-UHFFFAOYSA-N 0 0 443.544 4.643 50 0 IJAARN CCCc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000065111968 569107973 /nfs/dbraw/zinc/10/79/73/569107973.db2.gz SEVGEPWLTUZIOC-UHFFFAOYSA-N 0 0 445.972 4.911 50 0 IJAARN Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1Cl ZINC000065113455 569108450 /nfs/dbraw/zinc/10/84/50/569108450.db2.gz FAAQCKSAUXGUDJ-UHFFFAOYSA-N 0 0 432.911 4.800 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)s1 ZINC000065129136 569108816 /nfs/dbraw/zinc/10/88/16/569108816.db2.gz SWEICDURZNHKOA-OAQYLSRUSA-N 0 0 448.636 4.787 50 0 IJAARN Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)N4CCCCCC4)CC3)n2)c1 ZINC000065130700 569109176 /nfs/dbraw/zinc/10/91/76/569109176.db2.gz AQSZVTFUIKORTJ-UHFFFAOYSA-N 0 0 445.567 4.726 50 0 IJAARN CSc1ccc(CNC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)cc1 ZINC000065133131 569109922 /nfs/dbraw/zinc/10/99/22/569109922.db2.gz VNOLPQIDQDVPDN-UHFFFAOYSA-N 0 0 445.013 4.873 50 0 IJAARN COc1ccc(C)cc1NC(=O)COc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065133983 569110018 /nfs/dbraw/zinc/11/00/18/569110018.db2.gz UYTMLRNMJIRAEQ-UHFFFAOYSA-N 0 0 431.414 4.805 50 0 IJAARN COc1ccc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000065133984 569110043 /nfs/dbraw/zinc/11/00/43/569110043.db2.gz PNARIXROUWLPBJ-UHFFFAOYSA-N 0 0 431.414 4.805 50 0 IJAARN CCn1nccc1-c1cccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 ZINC000065137312 569110343 /nfs/dbraw/zinc/11/03/43/569110343.db2.gz WEJUAHSRNZZGTJ-KRWDZBQOSA-N 0 0 433.899 4.794 50 0 IJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1Br)CC2 ZINC000065148880 569110866 /nfs/dbraw/zinc/11/08/66/569110866.db2.gz KIPPZRAWYXPXSC-UHFFFAOYSA-N 0 0 428.330 4.640 50 0 IJAARN CC(C)Cn1cc(CCNC(=O)Nc2ccc(Br)cc2F)c2cccnc21 ZINC000065156700 569111907 /nfs/dbraw/zinc/11/19/07/569111907.db2.gz BATWAPGYQRAPPA-UHFFFAOYSA-N 0 0 433.325 4.958 50 0 IJAARN Cc1ccc(-c2ncc(C(=O)N3CCN(c4ccccc4C)CC3)c(-c3ccncc3)n2)cc1 ZINC000065153897 569112209 /nfs/dbraw/zinc/11/22/09/569112209.db2.gz WJHAYRJDMLWEAT-UHFFFAOYSA-N 0 0 449.558 4.785 50 0 IJAARN O=C(NCc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065165992 569113124 /nfs/dbraw/zinc/11/31/24/569113124.db2.gz HUEOFWZOCWWBDU-UHFFFAOYSA-N 0 0 427.495 4.624 50 0 IJAARN O=C(CC1CCCCC1)N1CCC(COc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000065179729 569113556 /nfs/dbraw/zinc/11/35/56/569113556.db2.gz LEOHDACYEKXBNU-UHFFFAOYSA-N 0 0 426.601 4.901 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc1)N1CCCC1 ZINC000065179870 569113588 /nfs/dbraw/zinc/11/35/88/569113588.db2.gz RUZYVIBAGOAPTD-UHFFFAOYSA-N 0 0 444.934 4.646 50 0 IJAARN O=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)Nc1ccccc1Cl ZINC000065184249 569114087 /nfs/dbraw/zinc/11/40/87/569114087.db2.gz HARSLPZVMOKCNX-UHFFFAOYSA-N 0 0 431.323 4.862 50 0 IJAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)Nc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000065185613 569114345 /nfs/dbraw/zinc/11/43/45/569114345.db2.gz ZFPXIJMUWBTGIK-UHFFFAOYSA-N 0 0 446.488 4.567 50 0 IJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1)N1CCCCC1 ZINC000065178429 569114389 /nfs/dbraw/zinc/11/43/89/569114389.db2.gz BGMNNYMMYKLVSZ-IBGZPJMESA-N 0 0 440.971 4.897 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)cc1F ZINC000065178501 569114433 /nfs/dbraw/zinc/11/44/33/569114433.db2.gz QXAQQZXNFYFPID-HXUWFJFHSA-N 0 0 438.543 4.691 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc2)CC1 ZINC000065179020 569114641 /nfs/dbraw/zinc/11/46/41/569114641.db2.gz NEGICTTZQOFKBD-HXUWFJFHSA-N 0 0 438.543 4.629 50 0 IJAARN O=C(Cc1ccccc1Cl)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209259 569116104 /nfs/dbraw/zinc/11/61/04/569116104.db2.gz ABILTUSDXUSIKQ-NRFANRHFSA-N 0 0 438.959 4.746 50 0 IJAARN CC[C@H]1CCCCN1C(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209870 569116552 /nfs/dbraw/zinc/11/65/52/569116552.db2.gz KTDFULZIVVSVDG-NRFANRHFSA-N 0 0 431.540 4.540 50 0 IJAARN CCc1nn2c(nc(-c3ccccc3)c2CNC(=O)c2ccccc2Br)s1 ZINC000065217829 569117115 /nfs/dbraw/zinc/11/71/15/569117115.db2.gz MKWVCZULKFUSIS-UHFFFAOYSA-N 0 0 441.354 4.713 50 0 IJAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)[C@H](C)NC(=O)c3ccccc3)n2)c1 ZINC000065219281 569117138 /nfs/dbraw/zinc/11/71/38/569117138.db2.gz SAOAWKHRUKOXLZ-HNNXBMFYSA-N 0 0 432.505 4.531 50 0 IJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000065219422 569117260 /nfs/dbraw/zinc/11/72/60/569117260.db2.gz HDIXKEOPGADGFE-UHFFFAOYSA-N 0 0 427.432 4.933 50 0 IJAARN COc1ccc(OCC(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065219134 569117372 /nfs/dbraw/zinc/11/73/72/569117372.db2.gz ZYEHZADWUPXHIE-UHFFFAOYSA-N 0 0 425.441 4.630 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000065229609 569118238 /nfs/dbraw/zinc/11/82/38/569118238.db2.gz RJKZKYKKJXKWPU-GOSISDBHSA-N 0 0 434.540 4.538 50 0 IJAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(Br)cc1F ZINC000036616052 569122654 /nfs/dbraw/zinc/12/26/54/569122654.db2.gz IFDRTXNAFKGUCV-UHFFFAOYSA-N 0 0 425.261 4.789 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1OC ZINC000036616304 569122781 /nfs/dbraw/zinc/12/27/81/569122781.db2.gz ATVBQBZADBVVMY-QGZVFWFLSA-N 0 0 444.535 4.605 50 0 IJAARN CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C)c1ccc(OC)cc1 ZINC000036613379 569123874 /nfs/dbraw/zinc/12/38/74/569123874.db2.gz CHRYHCAAMHKHKQ-QFIPXVFZSA-N 0 0 444.535 4.842 50 0 IJAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c(C)n1 ZINC000036613424 569123875 /nfs/dbraw/zinc/12/38/75/569123875.db2.gz JLYYYNIINQWLAY-MRXNPFEDSA-N 0 0 430.556 4.751 50 0 IJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=NC(C)(C)C ZINC000065260140 569124954 /nfs/dbraw/zinc/12/49/54/569124954.db2.gz DTTAPDOZVNUGLF-RUZDIDTESA-N 0 0 435.572 4.914 50 0 IJAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013134937 569125567 /nfs/dbraw/zinc/12/55/67/569125567.db2.gz QADYJFOIJXBQOC-UHFFFAOYSA-N 0 0 434.517 4.552 50 0 IJAARN CC(C)(C)OC(=O)NC1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000036619572 569126293 /nfs/dbraw/zinc/12/62/93/569126293.db2.gz UHDKASVVVFRQCY-UHFFFAOYSA-N 0 0 428.480 4.717 50 0 IJAARN C[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000036626632 569126308 /nfs/dbraw/zinc/12/63/08/569126308.db2.gz QOHUBHLAJBWUSI-AWEZNQCLSA-N 0 0 437.439 4.763 50 0 IJAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCC1(Cc2nnc3ccccn32)CCCCC1 ZINC000524735589 569128164 /nfs/dbraw/zinc/12/81/64/569128164.db2.gz LXNYAZJDHZICMO-OAQYLSRUSA-N 0 0 447.608 4.881 50 0 IJAARN O=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccc(C(F)(F)F)s1 ZINC000065272465 569129073 /nfs/dbraw/zinc/12/90/73/569129073.db2.gz DQQXHBWCXQAFBN-UHFFFAOYSA-N 0 0 438.475 4.989 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)N[C@@H](C)c3ccc(OC)cc3)CC2)n1 ZINC000065301424 569132264 /nfs/dbraw/zinc/13/22/64/569132264.db2.gz ROQXQOWMNROVNE-HNNXBMFYSA-N 0 0 438.597 4.665 50 0 IJAARN O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000036704670 569134217 /nfs/dbraw/zinc/13/42/17/569134217.db2.gz BTAOWJWTHSSLSX-UHFFFAOYSA-N 0 0 448.470 4.590 50 0 IJAARN Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(C)c1 ZINC000065315675 569134249 /nfs/dbraw/zinc/13/42/49/569134249.db2.gz ISXXCFOIXWGAJB-UHFFFAOYSA-N 0 0 444.579 4.597 50 0 IJAARN CCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NCCOC)cc1OC ZINC000065319341 569134792 /nfs/dbraw/zinc/13/47/92/569134792.db2.gz XZISECVVIQQUAP-UHFFFAOYSA-N 0 0 427.526 4.690 50 0 IJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(CC(C)C)cc3)n2)c1 ZINC000065320810 569136211 /nfs/dbraw/zinc/13/62/11/569136211.db2.gz KYXNCJOYCBTXIL-NRFANRHFSA-N 0 0 425.554 4.769 50 0 IJAARN Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(CC(C)C)cc3)n2)c1 ZINC000065320811 569136249 /nfs/dbraw/zinc/13/62/49/569136249.db2.gz KYXNCJOYCBTXIL-OAQYLSRUSA-N 0 0 425.554 4.769 50 0 IJAARN COC(=O)c1cccc(Nc2c(-c3ccc(C)cc3)nc3cnc(Br)cn32)c1 ZINC000065331643 569137340 /nfs/dbraw/zinc/13/73/40/569137340.db2.gz OUMZCWLKLPPZKR-UHFFFAOYSA-N 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Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)n2)cc1 ZINC000037171001 569140512 /nfs/dbraw/zinc/14/05/12/569140512.db2.gz NEAJUWIAVKFVAR-OAHLLOKOSA-N 0 0 445.350 4.871 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N(C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000037210667 569140829 /nfs/dbraw/zinc/14/08/29/569140829.db2.gz BRPJJYSWNKTDKL-PUAOIOHZSA-N 0 0 444.560 4.867 50 0 IJAARN COc1ccccc1Oc1ccc(NC(=O)c2cc(C)nc3nc(C(F)(F)F)nn32)cc1 ZINC000170596315 569141875 /nfs/dbraw/zinc/14/18/75/569141875.db2.gz XMYLFWFOQQYBQI-UHFFFAOYSA-N 0 0 443.385 4.505 50 0 IJAARN O=S(=O)(c1cnc2ccccc2c1Cl)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000170603706 569143693 /nfs/dbraw/zinc/14/36/93/569143693.db2.gz VAAUWCFXVXQVPO-UHFFFAOYSA-N 0 0 425.941 4.938 50 0 IJAARN C[C@@H](NC(=O)CCc1cccc(F)c1F)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170606032 569143881 /nfs/dbraw/zinc/14/38/81/569143881.db2.gz NBUMRXPCZHFELN-GFCCVEGCSA-N 0 0 434.284 4.927 50 0 IJAARN C[C@@H]1S[C@H](c2ccc(C(F)(F)F)cc2)N(CCC(=O)NCc2ccc(F)cc2)C1=O ZINC000037264218 569144013 /nfs/dbraw/zinc/14/40/13/569144013.db2.gz WEAQMVGYKRJHQV-RNODOKPDSA-N 0 0 440.462 4.514 50 0 IJAARN O=C(c1cccn1C1CC1)N(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccn2C2CC2)C1 ZINC000170611331 569145214 /nfs/dbraw/zinc/14/52/14/569145214.db2.gz KCEOLQAARCIOTH-HSZRJFAPSA-N 0 0 442.563 4.517 50 0 IJAARN CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@H](C)C(C)C)CC1)c1ccccc1 ZINC000037276856 569145317 /nfs/dbraw/zinc/14/53/17/569145317.db2.gz OZDHGVWAIDASQA-NFBKMPQASA-N 0 0 435.612 4.740 50 0 IJAARN Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000037276532 569145320 /nfs/dbraw/zinc/14/53/20/569145320.db2.gz UJIDRSGNAALIFF-NRFANRHFSA-N 0 0 441.575 4.885 50 0 IJAARN CCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000037277105 569145325 /nfs/dbraw/zinc/14/53/25/569145325.db2.gz YDNIEDMKJXJNCT-UHFFFAOYSA-N 0 0 433.596 4.520 50 0 IJAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000037279441 569145565 /nfs/dbraw/zinc/14/55/65/569145565.db2.gz IHMIBERHSYMJML-VWLOTQADSA-N 0 0 434.580 4.556 50 0 IJAARN COc1cc(C(=O)Nc2ccc(-n3cnnc3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000170614390 569146339 /nfs/dbraw/zinc/14/63/39/569146339.db2.gz XCNYVSFRLKPMGG-UHFFFAOYSA-N 0 0 434.883 4.761 50 0 IJAARN CCCCCCOc1ccc(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1OC ZINC000170616126 569146918 /nfs/dbraw/zinc/14/69/18/569146918.db2.gz CBJPBEZEWSGHBA-UHFFFAOYSA-N 0 0 440.584 4.863 50 0 IJAARN C[C@H]1CN(C(=O)NCC2(c3ccccc3Cl)CCOCC2)C[C@H](c2ccccc2)O1 ZINC000170621982 569147765 /nfs/dbraw/zinc/14/77/65/569147765.db2.gz SYEWSJFGGTWCTH-PGRDOPGGSA-N 0 0 428.960 4.560 50 0 IJAARN COc1ccc(NC(=O)c2cc3cc(Oc4ccccc4)ccc3n3nnnc23)cc1Cl ZINC000170622737 569148006 /nfs/dbraw/zinc/14/80/06/569148006.db2.gz QZGPWYTXZBUZTE-UHFFFAOYSA-N 0 0 445.866 4.984 50 0 IJAARN CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000170624964 569148138 /nfs/dbraw/zinc/14/81/38/569148138.db2.gz FIFZLXLLQBVZQJ-SPYBWZPUSA-N 0 0 436.861 4.726 50 0 IJAARN CCSc1nnc(-c2nc(-c3ccc(C)cc3)oc2N2CCOCC2)n1-c1ccccc1 ZINC000071195132 569149561 /nfs/dbraw/zinc/14/95/61/569149561.db2.gz GAHUHYDUAQKCTR-UHFFFAOYSA-N 0 0 447.564 4.846 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2Cc2ccccc2)c2ccccc2)c1 ZINC000009883581 569150143 /nfs/dbraw/zinc/15/01/43/569150143.db2.gz ZEVLLVYJEZRTMF-JOCHJYFZSA-N 0 0 429.549 4.810 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009908836 569150599 /nfs/dbraw/zinc/15/05/99/569150599.db2.gz VKEBTKFTOBQJPF-UHFFFAOYSA-N 0 0 447.516 4.723 50 0 IJAARN O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc([C@H]2CCCO2)s1 ZINC000071287074 569150877 /nfs/dbraw/zinc/15/08/77/569150877.db2.gz POBDZWJTANWLQC-OAQYLSRUSA-N 0 0 448.548 4.952 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010060250 569152486 /nfs/dbraw/zinc/15/24/86/569152486.db2.gz PMMGNIYWLHFDQO-QFIPXVFZSA-N 0 0 426.925 4.637 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060450 569152523 /nfs/dbraw/zinc/15/25/23/569152523.db2.gz KMIOXJIUOJPNRP-PKTZIBPZSA-N 0 0 440.503 4.677 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217319 569153222 /nfs/dbraw/zinc/15/32/22/569153222.db2.gz HUKDHSSQSAZGNQ-UHFFFAOYSA-N 0 0 429.567 4.502 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000013578961 569156053 /nfs/dbraw/zinc/15/60/53/569156053.db2.gz FUGKKGZENJXXHW-QGZVFWFLSA-N 0 0 433.533 4.988 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000250575494 569157313 /nfs/dbraw/zinc/15/73/13/569157313.db2.gz JWNPCDKHMFVPGA-LVXARBLLSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc(C)c2sc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)nc21 ZINC000013973137 569157394 /nfs/dbraw/zinc/15/73/94/569157394.db2.gz ZBHPYYROBCWLHS-UHFFFAOYSA-N 0 0 431.561 4.658 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)C3CCN(c4nc5ccccc5o4)CC3)ccc12 ZINC000014049562 569157580 /nfs/dbraw/zinc/15/75/80/569157580.db2.gz VKKVBPDNGHQQDA-UHFFFAOYSA-N 0 0 432.476 4.709 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000014406726 569158914 /nfs/dbraw/zinc/15/89/14/569158914.db2.gz PRQIVAODARNESD-XMMPIXPASA-N 0 0 431.467 4.636 50 0 IJAARN Cc1ccccc1-c1nc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC000089696908 569161397 /nfs/dbraw/zinc/16/13/97/569161397.db2.gz KMJGPDCFGSQZBB-PMACEKPBSA-N 0 0 426.561 4.799 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C ZINC000016840922 569163255 /nfs/dbraw/zinc/16/32/55/569163255.db2.gz YNYYCIRHPUUKBP-UHFFFAOYSA-N 0 0 438.940 4.621 50 0 IJAARN O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000089809716 569165119 /nfs/dbraw/zinc/16/51/19/569165119.db2.gz CIEIEZGKCANWSI-UHFFFAOYSA-N 0 0 446.391 4.605 50 0 IJAARN C[C@@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891210 569165767 /nfs/dbraw/zinc/16/57/67/569165767.db2.gz SGWJIDQWSNWDNV-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891125 569165776 /nfs/dbraw/zinc/16/57/76/569165776.db2.gz ZMUYOBKNTITZLC-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000089851309 569166149 /nfs/dbraw/zinc/16/61/49/569166149.db2.gz DXOQCIJGMHCJGW-KRWDZBQOSA-N 0 0 449.864 4.920 50 0 IJAARN C[C@H](OC(=O)[C@H](C)Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000016931046 569166658 /nfs/dbraw/zinc/16/66/58/569166658.db2.gz SKPFGARUFCSHDX-RYUDHWBXSA-N 0 0 426.307 4.639 50 0 IJAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c(OC)c1 ZINC000016944676 569166913 /nfs/dbraw/zinc/16/69/13/569166913.db2.gz YQOMZCUUUNBEHB-UHFFFAOYSA-N 0 0 449.326 4.852 50 0 IJAARN CC[C@H]1CN(C(=O)c2cccnc2Sc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000089948612 569168580 /nfs/dbraw/zinc/16/85/80/569168580.db2.gz QOLZEBCLOGXWPJ-FXAWDEMLSA-N 0 0 441.597 4.998 50 0 IJAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000017011220 569170358 /nfs/dbraw/zinc/17/03/58/569170358.db2.gz FORZEVWBQVWCSE-UHFFFAOYSA-N 0 0 439.302 4.957 50 0 IJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000017013121 569170870 /nfs/dbraw/zinc/17/08/70/569170870.db2.gz GTSSDBZQZQCBLX-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@H]1C ZINC000037355873 569171157 /nfs/dbraw/zinc/17/11/57/569171157.db2.gz KWSLPPRAESBRRW-LJQANCHMSA-N 0 0 426.561 4.593 50 0 IJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000017043556 569171496 /nfs/dbraw/zinc/17/14/96/569171496.db2.gz BKSKZGAZJTVZKC-UHFFFAOYSA-N 0 0 441.361 4.838 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)ncn1 ZINC000037356130 569171815 /nfs/dbraw/zinc/17/18/15/569171815.db2.gz DDGOKGUTSGEGHF-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(Cl)c1 ZINC000017155280 569175012 /nfs/dbraw/zinc/17/50/12/569175012.db2.gz DOWVTSRLNCTNOK-UHFFFAOYSA-N 0 0 442.972 4.978 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c32)C1 ZINC000000936979 569176245 /nfs/dbraw/zinc/17/62/45/569176245.db2.gz TXHOCEZDVDPEPU-QGZVFWFLSA-N 0 0 435.593 4.588 50 0 IJAARN CCOc1cc(C=O)cc(I)c1OCCOc1ccc(Cl)cc1 ZINC000002874789 569177572 /nfs/dbraw/zinc/17/75/72/569177572.db2.gz WQAXNMQBOMKFPB-UHFFFAOYSA-N 0 0 446.668 4.614 50 0 IJAARN COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCc1ccccc1F ZINC000002085587 569178370 /nfs/dbraw/zinc/17/83/70/569178370.db2.gz NYDAUCOENAIRMK-UDWIEESQSA-N 0 0 448.406 4.666 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1C ZINC000002092560 569178786 /nfs/dbraw/zinc/17/87/86/569178786.db2.gz HZFDBQASINORAX-HXUWFJFHSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)c12 ZINC000002094433 569179164 /nfs/dbraw/zinc/17/91/64/569179164.db2.gz ATDUYAJPCYXUEC-KRWDZBQOSA-N 0 0 437.492 4.664 50 0 biogenic IJAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002099775 569179539 /nfs/dbraw/zinc/17/95/39/569179539.db2.gz OTAOUUCOAMABDT-FQEVSTJZSA-N 0 0 435.476 4.765 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000000623006 569180326 /nfs/dbraw/zinc/18/03/26/569180326.db2.gz LXFRXJHHVYLJFM-UHFFFAOYSA-N 0 0 444.560 4.988 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 ZINC000001476601 569180540 /nfs/dbraw/zinc/18/05/40/569180540.db2.gz FCLGQZNBSXSNHU-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N([C@@H](C)c3ccccc3)CC(=O)N12 ZINC000002108436 569181753 /nfs/dbraw/zinc/18/17/53/569181753.db2.gz IQFIOUOQMISOIJ-VRKFOXNMSA-N 0 0 449.554 4.922 50 0 biogenic IJAARN COc1cccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c4ccccc4[nH]c32)c1 ZINC000002117184 569182589 /nfs/dbraw/zinc/18/25/89/569182589.db2.gz GQBMNFMNFIEWBD-DEOSSOPVSA-N 0 0 437.499 4.855 50 0 biogenic IJAARN CCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433546 569183214 /nfs/dbraw/zinc/18/32/14/569183214.db2.gz UQHGWJZCLJKYGJ-YADHBBJMSA-N 0 0 426.582 4.514 50 0 IJAARN Cc1cc2ncc(CCCNC(=O)CCc3cccc(Oc4ccc(F)cc4)c3)cn2n1 ZINC000207995323 569183792 /nfs/dbraw/zinc/18/37/92/569183792.db2.gz DDZMKLJFVNPYFU-UHFFFAOYSA-N 0 0 432.499 4.651 50 0 IJAARN COc1cc(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc(OC)c1OC ZINC000002140579 569186563 /nfs/dbraw/zinc/18/65/63/569186563.db2.gz JMSKKNWHNOCILA-UHFFFAOYSA-N 0 0 432.428 4.705 50 0 biogenic IJAARN Cn1ccc2cc([C@@H](O)CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000252484944 569186576 /nfs/dbraw/zinc/18/65/76/569186576.db2.gz GKWRBYVELXUWGB-KRWDZBQOSA-N 0 0 430.348 4.679 50 0 IJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(Br)c3)cc2oc1=O ZINC000002148119 569187104 /nfs/dbraw/zinc/18/71/04/569187104.db2.gz NLTKDESKTIOUBB-UHFFFAOYSA-N 0 0 445.309 4.939 50 0 biogenic IJAARN CN(C)c1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000252499128 569188107 /nfs/dbraw/zinc/18/81/07/569188107.db2.gz RVUUCOZPKMBINH-HSZRJFAPSA-N 0 0 439.968 4.946 50 0 IJAARN CN(c1ccc(C(=O)Nc2nncs2)cn1)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252512590 569188824 /nfs/dbraw/zinc/18/88/24/569188824.db2.gz SQGACVKCRVWJJH-DLBZAZTESA-N 0 0 447.486 4.977 50 0 IJAARN CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccccc2)S1 ZINC000002192163 569190694 /nfs/dbraw/zinc/19/06/94/569190694.db2.gz IZCMJEUFJOXAEO-JOCHJYFZSA-N 0 0 439.562 4.802 50 0 IJAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000037382817 569192009 /nfs/dbraw/zinc/19/20/09/569192009.db2.gz YFUIMCBSYLDQJO-UHFFFAOYSA-N 0 0 440.522 4.636 50 0 IJAARN CCC[C@@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037396775 569193031 /nfs/dbraw/zinc/19/30/31/569193031.db2.gz WVQBZLGENKKDDA-DEOSSOPVSA-N 0 0 430.527 4.861 50 0 IJAARN COc1ccc(NC(=O)CCn2c(Cc3cccc(C)c3)nc3ccccc32)cc1OC ZINC000037397308 569193328 /nfs/dbraw/zinc/19/33/28/569193328.db2.gz MCCGNANBIXNIFW-UHFFFAOYSA-N 0 0 429.520 4.982 50 0 IJAARN O=C(Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCCc1ccccn1 ZINC000037397579 569193657 /nfs/dbraw/zinc/19/36/57/569193657.db2.gz NLTZIKNYKUSANE-UHFFFAOYSA-N 0 0 439.346 4.688 50 0 IJAARN Cc1ccccc1-n1c(=O)c2cc3c(nc2nc1SCC(=O)c1ccccc1)CCCC3 ZINC000002209237 569194033 /nfs/dbraw/zinc/19/40/33/569194033.db2.gz LRTQYMGFCWJLMI-UHFFFAOYSA-N 0 0 441.556 4.943 50 0 IJAARN CC(C)CN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(Cl)c1)C(=O)NC(C)(C)C ZINC000037425613 569195690 /nfs/dbraw/zinc/19/56/90/569195690.db2.gz PKEDFZOXPPBLNU-JOCHJYFZSA-N 0 0 445.007 4.539 50 0 IJAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)nc2c1 ZINC000037426003 569195753 /nfs/dbraw/zinc/19/57/53/569195753.db2.gz ZVIAUBMAVURXME-UHFFFAOYSA-N 0 0 438.480 4.988 50 0 IJAARN CC(C)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000037439988 569196506 /nfs/dbraw/zinc/19/65/06/569196506.db2.gz UNSDHBIGGUCATB-UHFFFAOYSA-N 0 0 437.515 4.922 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccc(F)c2)c1 ZINC000037441013 569196773 /nfs/dbraw/zinc/19/67/73/569196773.db2.gz PHIHOZBBWCILJP-HSZRJFAPSA-N 0 0 436.458 4.809 50 0 IJAARN CC(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441643 569196798 /nfs/dbraw/zinc/19/67/98/569196798.db2.gz GDMMZCQMZQCRMM-LJQANCHMSA-N 0 0 428.916 4.637 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000037443311 569197033 /nfs/dbraw/zinc/19/70/33/569197033.db2.gz RMCNNJWRWDIFHW-NUANOYTQSA-N 0 0 447.579 4.777 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037443558 569197207 /nfs/dbraw/zinc/19/72/07/569197207.db2.gz VEASBBXXJQJYNU-DFPFIFOISA-N 0 0 433.552 4.903 50 0 IJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)COc1ccc(Cl)cc1 ZINC000037522778 569198440 /nfs/dbraw/zinc/19/84/40/569198440.db2.gz YLYJDJOFSLENJQ-GOSISDBHSA-N 0 0 434.923 4.650 50 0 IJAARN O=C(NCc1cccnc1)c1cc2sc(Br)cc2n1Cc1ccccc1F ZINC000037541509 569199342 /nfs/dbraw/zinc/19/93/42/569199342.db2.gz RPCQXHAITQMCBE-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN Cc1cccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3sc(Br)cc32)c1 ZINC000037543201 569199415 /nfs/dbraw/zinc/19/94/15/569199415.db2.gz LKECIPHUBIKKTN-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1ccccc1F ZINC000037543091 569199436 /nfs/dbraw/zinc/19/94/36/569199436.db2.gz DMVFIKTUFYDZNW-CYBMUJFWSA-N 0 0 437.334 4.562 50 0 IJAARN COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NCC3CCCCC3)CC2)cc1 ZINC000037554089 569200336 /nfs/dbraw/zinc/20/03/36/569200336.db2.gz XLURORPPBDJQQY-UHFFFAOYSA-N 0 0 449.595 4.729 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(CCCOC(C)C)C3=O ZINC000002210613 569201101 /nfs/dbraw/zinc/20/11/01/569201101.db2.gz BTPVPICTCMUBGF-NRFANRHFSA-N 0 0 441.911 4.821 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCc3ccco3)cc2[C@H]1c1ccc(C)cc1 ZINC000037602386 569202392 /nfs/dbraw/zinc/20/23/92/569202392.db2.gz GOILSACNRANAOR-AFMDSPMNSA-N 0 0 446.547 4.556 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(Cl)c4)ncn3)C[C@@H]2C)cc1 ZINC000037623684 569203248 /nfs/dbraw/zinc/20/32/48/569203248.db2.gz LMQAUWIBKWXCSH-KRWDZBQOSA-N 0 0 436.943 4.836 50 0 IJAARN CCc1nc2sc3c(c2c(SCC(=O)N(C)c2ccccc2)n1)CC(C)(C)OC3 ZINC000002219081 569204155 /nfs/dbraw/zinc/20/41/55/569204155.db2.gz ORUXCAFRIIGNQU-UHFFFAOYSA-N 0 0 427.595 4.860 50 0 IJAARN COc1ccc(Cl)cc1-c1ccc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)o1 ZINC000252667148 569209698 /nfs/dbraw/zinc/20/96/98/569209698.db2.gz CVFMGNFDBLSTNZ-UHFFFAOYSA-N 0 0 436.920 4.996 50 0 IJAARN Cc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(C)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000252674560 569210158 /nfs/dbraw/zinc/21/01/58/569210158.db2.gz SHNZSZZHFNZHMO-MHZLTWQESA-N 0 0 448.591 4.936 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c(C)c1 ZINC000002717856 569212694 /nfs/dbraw/zinc/21/26/94/569212694.db2.gz PFHVGGKTKFVVPG-UHFFFAOYSA-N 0 0 439.928 4.522 50 0 IJAARN COc1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000002245933 569214422 /nfs/dbraw/zinc/21/44/22/569214422.db2.gz PWJYSPKTMMGQIO-UHFFFAOYSA-N 0 0 440.503 4.915 50 0 IJAARN CCN(CC)C(=O)CSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 ZINC000002246648 569214467 /nfs/dbraw/zinc/21/44/67/569214467.db2.gz YSYJXOPOIKTEID-UHFFFAOYSA-N 0 0 439.625 4.649 50 0 IJAARN COc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(OC)c1OC ZINC000027501115 569216608 /nfs/dbraw/zinc/21/66/08/569216608.db2.gz XARQUJLPDMTUBW-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN Cc1ccc(NC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002256186 569216913 /nfs/dbraw/zinc/21/69/13/569216913.db2.gz ILJFAAHUSXHRTD-UHFFFAOYSA-N 0 0 425.467 4.915 50 0 IJAARN O=C(NC1CCCCC1)/C(=C/c1ccccc1F)NC(=O)c1ccc(Br)cc1 ZINC000027520571 569218068 /nfs/dbraw/zinc/21/80/68/569218068.db2.gz LBRWQXPXTNPOSY-ZHZULCJRSA-N 0 0 445.332 4.808 50 0 IJAARN Cc1ccccc1C(=O)Nn1c(=O)c2ccccc2nc1-c1ccc(Br)cc1 ZINC000027527370 569263203 /nfs/dbraw/zinc/26/32/03/569263203.db2.gz YAVUZGDMSXFGBG-UHFFFAOYSA-N 0 0 434.293 4.518 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cnn1-c1ccc(Cl)cc1 ZINC000253392785 569264485 /nfs/dbraw/zinc/26/44/85/569264485.db2.gz SFORNFATDFLANK-UHFFFAOYSA-N 0 0 449.313 4.716 50 0 IJAARN O=C(NCCCO[C@H]1CCCc2ccccc21)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000253418711 569266692 /nfs/dbraw/zinc/26/66/92/569266692.db2.gz WZJIXGHTGLGWKT-IBGZPJMESA-N 0 0 427.451 4.888 50 0 IJAARN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccsc2Cl)cc1OC ZINC000253428186 569267515 /nfs/dbraw/zinc/26/75/15/569267515.db2.gz PJUICEKWRFUJNW-UHFFFAOYSA-N 0 0 446.912 4.689 50 0 IJAARN CC(=O)c1sc(=Nc2cccc(C)c2)n(C(=N)Nc2nc(C)c3ccccc3n2)c1C ZINC000253496044 569283146 /nfs/dbraw/zinc/28/31/46/569283146.db2.gz ZPKYWHIWFWPNAX-RWEWTDSWSA-N 0 0 430.537 4.748 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000253502024 569283498 /nfs/dbraw/zinc/28/34/98/569283498.db2.gz WOJKRRDDERNLBU-VKIHKMGBSA-N 0 0 430.629 4.973 50 0 IJAARN C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000253502021 569283598 /nfs/dbraw/zinc/28/35/98/569283598.db2.gz WOJKRRDDERNLBU-PWGZDNIUSA-N 0 0 430.629 4.973 50 0 IJAARN CC(=O)O[C@@H]1C=C2C(C)=C[C@@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533886 569284076 /nfs/dbraw/zinc/28/40/76/569284076.db2.gz SDHHPVPFUVQWKY-DMUCQPGPSA-N 0 0 428.569 4.938 50 0 IJAARN CCOc1ccccc1OCCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000002352800 569284275 /nfs/dbraw/zinc/28/42/75/569284275.db2.gz ZJGRPSDZUFMVSN-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002367569 569288460 /nfs/dbraw/zinc/28/84/60/569288460.db2.gz PBOPWTHDLCBAOX-RUCTVCJSSA-N 0 0 446.012 4.867 50 0 IJAARN CCCCNC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc21 ZINC000002369957 569288850 /nfs/dbraw/zinc/28/88/50/569288850.db2.gz GUEAFNUHLVSMEF-UHFFFAOYSA-N 0 0 428.323 4.993 50 0 IJAARN COc1cc(-c2noc(-c3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc(OC)c1OC ZINC000002372746 569289110 /nfs/dbraw/zinc/28/91/10/569289110.db2.gz QZIOKTCCCNARNV-UHFFFAOYSA-N 0 0 449.438 4.821 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002393585 569298039 /nfs/dbraw/zinc/29/80/39/569298039.db2.gz TWPWVKFVWHJIPD-JNKLARPZSA-N 0 0 431.985 4.693 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc12 ZINC000002397242 569298613 /nfs/dbraw/zinc/29/86/13/569298613.db2.gz UNAOQJDSICJXNK-UHFFFAOYSA-N 0 0 448.523 4.766 50 0 IJAARN O=C(C=Cc1cc(Cl)cc(Cl)c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009991446 569298948 /nfs/dbraw/zinc/29/89/48/569298948.db2.gz ADNSUJPRRMVDER-DAFODLJHSA-N 0 0 446.330 4.899 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000002402220 569299656 /nfs/dbraw/zinc/29/96/56/569299656.db2.gz JQEWUWOAXKKJFY-HNAYVOBHSA-N 0 0 430.287 4.824 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3cc4ccccc4oc3=O)cc1)CCCC2 ZINC000002413512 569301184 /nfs/dbraw/zinc/30/11/84/569301184.db2.gz UHWQJMYJLBCNLD-UHFFFAOYSA-N 0 0 444.512 4.752 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000002422034 569302159 /nfs/dbraw/zinc/30/21/59/569302159.db2.gz KDFUNGGNVFKELF-UHFFFAOYSA-N 0 0 433.537 4.836 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 ZINC000013009821 569306593 /nfs/dbraw/zinc/30/65/93/569306593.db2.gz ADDZLJKBMLNWGX-UHFFFAOYSA-N 0 0 428.496 4.674 50 0 IJAARN CC(=O)Nc1ccc(F)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1 ZINC000013012847 569307024 /nfs/dbraw/zinc/30/70/24/569307024.db2.gz NCXCWUUTJCSGAG-VIFPVBQESA-N 0 0 429.673 4.606 50 0 IJAARN COc1cc(C(=O)OCc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000013075103 569309214 /nfs/dbraw/zinc/30/92/14/569309214.db2.gz KBSQXSJWFSBAHY-UHFFFAOYSA-N 0 0 437.467 4.826 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013110027 569310339 /nfs/dbraw/zinc/31/03/39/569310339.db2.gz AOBZVNYGJFENRC-UHFFFAOYSA-N 0 0 444.409 4.984 50 0 IJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013112735 569310527 /nfs/dbraw/zinc/31/05/27/569310527.db2.gz IOZBIUXJCUQZHV-UHFFFAOYSA-N 0 0 429.549 4.976 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)n[nH]2)cc1 ZINC000013121449 569311121 /nfs/dbraw/zinc/31/11/21/569311121.db2.gz HRKGAIMVNUVFRY-UHFFFAOYSA-N 0 0 443.504 4.913 50 0 IJAARN CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nnc1-c1cccs1 ZINC000013120539 569311136 /nfs/dbraw/zinc/31/11/36/569311136.db2.gz VCXIWOHSHQOSAH-ZDUSSCGKSA-N 0 0 443.623 4.948 50 0 IJAARN Cc1cccc(C)c1-n1c(=O)c2ccccc2nc1SCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000013146113 569311857 /nfs/dbraw/zinc/31/18/57/569311857.db2.gz JEKXHODCBYRYDR-CALCHBBNSA-N 0 0 435.593 4.599 50 0 IJAARN O=S(=O)(NC[C@@H](NCc1ccccc1Cl)c1ccccc1)c1ccc(Cl)s1 ZINC000013149384 569312282 /nfs/dbraw/zinc/31/22/82/569312282.db2.gz AWXOQVDCLGUAAK-QGZVFWFLSA-N 0 0 441.405 4.864 50 0 IJAARN O=C(C1CCCCC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456554 569312950 /nfs/dbraw/zinc/31/29/50/569312950.db2.gz ITAVHXNJOGWTGA-OAQYLSRUSA-N 0 0 427.342 4.900 50 0 IJAARN O=C(NCCC1=CCCCC1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355056 569313576 /nfs/dbraw/zinc/31/35/76/569313576.db2.gz KCXXTPGTAMMXJE-UHFFFAOYSA-N 0 0 438.593 4.758 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(F)cc4F)ccc32)cc1 ZINC000013359672 569313833 /nfs/dbraw/zinc/31/38/33/569313833.db2.gz RAWKPVTYBDGOPS-UHFFFAOYSA-N 0 0 443.475 4.669 50 0 IJAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1ccccc1Cl ZINC000013359688 569313870 /nfs/dbraw/zinc/31/38/70/569313870.db2.gz SFWCAABCVMRILX-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN CN(C)c1ccc(C2=N[C@@H](C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 ZINC000019227945 569316499 /nfs/dbraw/zinc/31/64/99/569316499.db2.gz FBOLJPGVZDVOQV-SNVBAGLBSA-N 0 0 436.985 4.567 50 0 IJAARN O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000328591993 569317172 /nfs/dbraw/zinc/31/71/72/569317172.db2.gz LFYNKCRVOLDLME-OAHLLOKOSA-N 0 0 425.891 4.544 50 0 IJAARN Cc1cc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)n2)c(F)cc1F ZINC000079013970 569321821 /nfs/dbraw/zinc/32/18/21/569321821.db2.gz CMRBKUHMZDPIGK-INIZCTEOSA-N 0 0 433.505 4.702 50 0 IJAARN CO[C@@H](C)c1noc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1 ZINC000079015639 569322005 /nfs/dbraw/zinc/32/20/05/569322005.db2.gz IFMJKDPPHBYMOL-JTQLQIEISA-N 0 0 441.340 4.702 50 0 IJAARN CCOC(=O)c1sc2nc(C)nc(N[C@@H](C)c3nc(Cc4ccccc4)no3)c2c1C ZINC000079046730 569323163 /nfs/dbraw/zinc/32/31/63/569323163.db2.gz UIVOKOZOFMWQHV-ZDUSSCGKSA-N 0 0 437.525 4.632 50 0 IJAARN Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2)oc1-c1ccc(Cl)cc1 ZINC000079092362 569325166 /nfs/dbraw/zinc/32/51/66/569325166.db2.gz LSRYKUBFXWKIST-UHFFFAOYSA-N 0 0 441.734 4.544 50 0 IJAARN COCc1ccccc1CNc1nc2cccnc2nc1NCc1ccccc1COC ZINC000079099330 569325541 /nfs/dbraw/zinc/32/55/41/569325541.db2.gz XOSVJCLGICDWNZ-UHFFFAOYSA-N 0 0 429.524 4.542 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079489154 569331285 /nfs/dbraw/zinc/33/12/85/569331285.db2.gz UHICJOFSJNVULT-MDKPJZGXSA-N 0 0 426.384 4.659 50 0 IJAARN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N1CCN(c2ccccc2F)CC1 ZINC000020103796 569334064 /nfs/dbraw/zinc/33/40/64/569334064.db2.gz HFYUMNFVLOGBGP-UHFFFAOYSA-N 0 0 447.432 4.896 50 0 IJAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CC=C(c2ccccc2)CC1 ZINC000020131676 569335419 /nfs/dbraw/zinc/33/54/19/569335419.db2.gz OLZLDILRKOXJRQ-UHFFFAOYSA-N 0 0 435.549 4.839 50 0 IJAARN COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3Cl)c2=O)c1 ZINC000020151692 569336489 /nfs/dbraw/zinc/33/64/89/569336489.db2.gz KOFJAEKBUVFRIA-UHFFFAOYSA-N 0 0 426.925 4.541 50 0 IJAARN Cc1ccccc1/C=C1\Sc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O ZINC000020181431 569355300 /nfs/dbraw/zinc/35/53/00/569355300.db2.gz DEXVXJXSFZDWPC-ULJHMMPZSA-N 0 0 428.557 4.834 50 0 IJAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)cc23)c1 ZINC000020233476 569357273 /nfs/dbraw/zinc/35/72/73/569357273.db2.gz DZOXGRRNNUHZDV-CQSZACIVSA-N 0 0 449.532 4.573 50 0 IJAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(Cl)cc3c2=O)cc1 ZINC000020326573 569360454 /nfs/dbraw/zinc/36/04/54/569360454.db2.gz DASZAPBCLVSSJJ-UHFFFAOYSA-N 0 0 430.891 4.833 50 0 IJAARN Cc1c(C[NH2+]Cc2ccccc2Br)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000020413580 569364183 /nfs/dbraw/zinc/36/41/83/569364183.db2.gz SXAMAQGMSPWLRV-UHFFFAOYSA-N 0 0 427.342 4.904 50 0 IJAARN COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000095431342 569366249 /nfs/dbraw/zinc/36/62/49/569366249.db2.gz BTUGDDHZMRDKJK-UHFFFAOYSA-N 0 0 433.508 4.750 50 0 IJAARN Cc1c(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cnn1-c1ccncc1 ZINC000095448032 569367473 /nfs/dbraw/zinc/36/74/73/569367473.db2.gz LRIWXKJEYOVJTG-XMMPIXPASA-N 0 0 440.503 4.729 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000095459184 569369357 /nfs/dbraw/zinc/36/93/57/569369357.db2.gz ZJQAMIFXIWDTCQ-XMSQKQJNSA-N 0 0 434.540 4.506 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Br)c4)c32)ccc1O ZINC000095472840 569372356 /nfs/dbraw/zinc/37/23/56/569372356.db2.gz APMBPFJXBGXEKS-SFHVURJKSA-N 0 0 446.326 4.773 50 0 IJAARN O=C(CSCc1c(F)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482240 569374356 /nfs/dbraw/zinc/37/43/56/569374356.db2.gz JXKSNSLXXJGREU-UHFFFAOYSA-N 0 0 426.300 4.732 50 0 IJAARN CCCn1ccc2ccc(NC(=O)N(C)[C@@H]3CS(=O)(=O)c4ccc(Cl)cc43)cc21 ZINC000095942669 569375585 /nfs/dbraw/zinc/37/55/85/569375585.db2.gz HOFOLILEPXEWKA-LJQANCHMSA-N 0 0 431.945 4.697 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(NCc2csc(COc3ccc(C)cc3)n2)c1 ZINC000095946958 569376217 /nfs/dbraw/zinc/37/62/17/569376217.db2.gz LTZVFRDHUCTNOK-UHFFFAOYSA-N 0 0 445.610 4.673 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CNCc2ccnc(N(C)C)n2)cc1 ZINC000095989207 569378203 /nfs/dbraw/zinc/37/82/03/569378203.db2.gz IKGIVLWYWZUESF-UHFFFAOYSA-N 0 0 432.959 4.647 50 0 IJAARN O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103472 569382006 /nfs/dbraw/zinc/38/20/06/569382006.db2.gz KYERILPOPAOOHD-IBGZPJMESA-N 0 0 431.966 4.757 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000096105669 569382574 /nfs/dbraw/zinc/38/25/74/569382574.db2.gz GPANPQMAXPCGDU-UHFFFAOYSA-N 0 0 438.531 4.592 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccnc2N2CCCCC2)S1 ZINC000096116935 569384028 /nfs/dbraw/zinc/38/40/28/569384028.db2.gz RMSMDNHMMCJBEC-LPHOPBHVSA-N 0 0 441.601 4.578 50 0 IJAARN COc1ccc(Br)cc1CCC(=O)Nc1ccc(N2CCC[C@@H](OC)C2)cc1 ZINC000096122453 569385195 /nfs/dbraw/zinc/38/51/95/569385195.db2.gz SQBAIPLYPDMBID-HXUWFJFHSA-N 0 0 447.373 4.644 50 0 IJAARN Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000096203755 569386362 /nfs/dbraw/zinc/38/63/62/569386362.db2.gz POKQOPHBQVQBQC-JOCHJYFZSA-N 0 0 442.437 4.832 50 0 IJAARN COc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 ZINC000096203767 569386411 /nfs/dbraw/zinc/38/64/11/569386411.db2.gz MKKYUIMCJCNQNB-NRFANRHFSA-N 0 0 430.426 4.770 50 0 IJAARN Cc1cc(OCC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)c2c3c(c(=O)oc2c1)CCC3 ZINC000096230671 569387471 /nfs/dbraw/zinc/38/74/71/569387471.db2.gz GDUSVJZVUHLULS-NRFANRHFSA-N 0 0 442.515 4.644 50 0 IJAARN COC(=O)c1nc(NC(=O)c2sc(C)nc2C(C)C)sc1CCc1ccccc1 ZINC000096230739 569387476 /nfs/dbraw/zinc/38/74/76/569387476.db2.gz ADEPRQYLYAVDQP-UHFFFAOYSA-N 0 0 429.567 4.856 50 0 IJAARN COc1ccc2c(c1)Oc1cc(C)ccc1N=C2N1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000096247434 569388070 /nfs/dbraw/zinc/38/80/70/569388070.db2.gz XMZHYAFFHJFTCJ-UHFFFAOYSA-N 0 0 436.556 4.703 50 0 IJAARN CCS(=O)(=O)c1ccc2oc(-c3c(C)cccc3NC(=O)c3ccc(F)cc3)nc2c1 ZINC000096278944 569389199 /nfs/dbraw/zinc/38/91/99/569389199.db2.gz SSAHIECXWVITHO-UHFFFAOYSA-N 0 0 438.480 4.988 50 0 IJAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(C)cc1-c1nc2cc(C)ccc2o1 ZINC000096279113 569389228 /nfs/dbraw/zinc/38/92/28/569389228.db2.gz WGZDXSQEDYZHOR-UHFFFAOYSA-N 0 0 443.502 4.727 50 0 IJAARN O=C(COc1ccc2c(c1)n(CC1CCC1)c(=O)cc2C(F)(F)F)Nc1cccc(F)c1 ZINC000096281979 569390168 /nfs/dbraw/zinc/39/01/68/569390168.db2.gz KABFGLUNQZRSCJ-UHFFFAOYSA-N 0 0 448.416 4.977 50 0 IJAARN COc1ccc(NC(=O)N2CCN(c3nc(-c4ccco4)nc4ccc(C)cc43)CC2)cc1 ZINC000096292695 569391327 /nfs/dbraw/zinc/39/13/27/569391327.db2.gz VQZBNKHCEHWXJN-UHFFFAOYSA-N 0 0 443.507 4.561 50 0 IJAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000096292359 569391340 /nfs/dbraw/zinc/39/13/40/569391340.db2.gz BDHYJVMQJBDPOO-UHFFFAOYSA-N 0 0 447.341 4.529 50 0 IJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)CCc1ccccc1 ZINC000096292912 569391368 /nfs/dbraw/zinc/39/13/68/569391368.db2.gz LBHTWVNCGKBPQD-GOSISDBHSA-N 0 0 437.540 4.556 50 0 IJAARN CC(C)C1=NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N1c1ccccc1 ZINC000096293431 569391536 /nfs/dbraw/zinc/39/15/36/569391536.db2.gz HYRVBKFVJNYAOI-UHFFFAOYSA-N 0 0 425.535 4.895 50 0 IJAARN O=C(/C=C\c1ccc(N2CCCC2=O)cc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000096316156 569392777 /nfs/dbraw/zinc/39/27/77/569392777.db2.gz JHPUDCACTHHLML-XEZIEYNOSA-N 0 0 442.519 4.630 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccccc1F ZINC000096317209 569393162 /nfs/dbraw/zinc/39/31/62/569393162.db2.gz VIQXKNVPGXNOQL-LJQANCHMSA-N 0 0 440.607 4.977 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C3CC3)nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096317167 569393165 /nfs/dbraw/zinc/39/31/65/569393165.db2.gz DZKPFBNIWASFFL-UHFFFAOYSA-N 0 0 444.554 4.663 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccccc2Cl)C4)cc1 ZINC000096323744 569395496 /nfs/dbraw/zinc/39/54/96/569395496.db2.gz OZTIXGUFPIXMFP-UHFFFAOYSA-N 0 0 439.928 4.710 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323812 569395526 /nfs/dbraw/zinc/39/55/26/569395526.db2.gz SDGFKQYNTPXAOS-UHFFFAOYSA-N 0 0 427.892 4.841 50 0 IJAARN COc1ccc(Cl)c2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1cccc(Cl)c1C)C3 ZINC000096326913 569396281 /nfs/dbraw/zinc/39/62/81/569396281.db2.gz FOCJCGWSJMMWFY-UHFFFAOYSA-N 0 0 446.334 4.561 50 0 IJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)C2(c3ccccc3)CC2)no1 ZINC000096349682 569397251 /nfs/dbraw/zinc/39/72/51/569397251.db2.gz XUQHTHMBCDDMQF-UHFFFAOYSA-N 0 0 428.536 4.821 50 0 IJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc(Cl)c4)n(Cc4ccccc4)c3nc12 ZINC000096347432 569397333 /nfs/dbraw/zinc/39/73/33/569397333.db2.gz ORZCORSJWLBGLB-UHFFFAOYSA-N 0 0 442.906 4.912 50 0 IJAARN CSc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2=O)cc1 ZINC000096372446 569397840 /nfs/dbraw/zinc/39/78/40/569397840.db2.gz ADUSHXIOBVCPJT-UHFFFAOYSA-N 0 0 442.544 4.667 50 0 IJAARN COC1CCN(c2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3Cl)cc2)CC1 ZINC000096382335 569398142 /nfs/dbraw/zinc/39/81/42/569398142.db2.gz FQZHVMIOTDVIEZ-UHFFFAOYSA-N 0 0 429.369 4.718 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000096386353 569398497 /nfs/dbraw/zinc/39/84/97/569398497.db2.gz SHKWCUKWVRPBNY-UHFFFAOYSA-N 0 0 441.000 4.785 50 0 IJAARN Cc1cccc(-n2c(CC(=O)NCc3ccc(OC(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000096387085 569398796 /nfs/dbraw/zinc/39/87/96/569398796.db2.gz YIFFCZYQUNGAAQ-QHCPKHFHSA-N 0 0 429.520 4.585 50 0 IJAARN COc1cccc(CC(=O)Nc2ccc(-c3nc(Cn4nc(C)cc4C)c(C)o3)cc2)c1 ZINC000096397294 569399485 /nfs/dbraw/zinc/39/94/85/569399485.db2.gz JECIWURSGPGTEM-UHFFFAOYSA-N 0 0 430.508 4.701 50 0 IJAARN CCOc1ccc(OCC(=O)Nc2n[nH]c(C)c2-c2ccc(OCC)c(OCC)c2)cc1 ZINC000096399006 569399822 /nfs/dbraw/zinc/39/98/22/569399822.db2.gz DZNSMFOZFZGNAN-UHFFFAOYSA-N 0 0 439.512 4.599 50 0 IJAARN CCSc1nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2s1 ZINC000096399586 569400149 /nfs/dbraw/zinc/40/01/49/569400149.db2.gz MJXGYEBIPWSIEB-UHFFFAOYSA-N 0 0 429.386 4.972 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000021811194 569400708 /nfs/dbraw/zinc/40/07/08/569400708.db2.gz HELZKSXTUDWZRA-QKSGUBBWSA-N 0 0 433.552 4.965 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000096499415 569401017 /nfs/dbraw/zinc/40/10/17/569401017.db2.gz VTWFNGASXBDOOS-UHFFFAOYSA-N 0 0 445.494 4.866 50 0 IJAARN CC(NCc1cccs1)=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000096562292 569401131 /nfs/dbraw/zinc/40/11/31/569401131.db2.gz PJQNMOQJBDMIAG-UHFFFAOYSA-N 0 0 429.586 4.568 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000096592574 569401901 /nfs/dbraw/zinc/40/19/01/569401901.db2.gz NFEKOIPQWIFDOP-MRXNPFEDSA-N 0 0 428.794 4.810 50 0 IJAARN O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 ZINC000334156950 569402126 /nfs/dbraw/zinc/40/21/26/569402126.db2.gz CJMQVXXIEVALCF-UHFFFAOYSA-O 0 0 440.508 4.600 50 0 IJAARN CCCNC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2 ZINC000096915623 569402522 /nfs/dbraw/zinc/40/25/22/569402522.db2.gz APLIKJBYXVHGFN-KAKMCVKYSA-N 0 0 444.531 4.802 50 0 IJAARN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccccc3F)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000002468661 569403920 /nfs/dbraw/zinc/40/39/20/569403920.db2.gz BOFKSVNOKBWVOZ-ZEQRLZLVSA-N 0 0 427.479 4.867 50 0 IJAARN Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc21 ZINC000002475039 569404408 /nfs/dbraw/zinc/40/44/08/569404408.db2.gz UCFWVGSQFWNMHW-UHFFFAOYSA-N 0 0 449.557 4.608 50 0 IJAARN Cn1c2cc(NC(=O)c3c(F)cccc3F)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049210 569406684 /nfs/dbraw/zinc/40/66/84/569406684.db2.gz UHJKYHDNFKGMGE-UHFFFAOYSA-N 0 0 431.508 4.832 50 0 IJAARN COc1ccc(Sc2cc3c(cc2NC(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000028049299 569406715 /nfs/dbraw/zinc/40/67/15/569406715.db2.gz MMNBXUGSWGDSDP-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN CCCCSc1cc2c(cc1NC(=O)c1ccc(Br)cc1)n(C)c(=O)n2C ZINC000028049251 569406740 /nfs/dbraw/zinc/40/67/40/569406740.db2.gz RCKNKJSNCJHWQU-UHFFFAOYSA-N 0 0 448.386 4.784 50 0 IJAARN COc1ccccc1[C@H](CNC(=O)c1oc2ccc(Br)cc2c1C)N(C)C ZINC000028232071 569409297 /nfs/dbraw/zinc/40/92/97/569409297.db2.gz IHRBJTQXHUFEDX-KRWDZBQOSA-N 0 0 431.330 4.545 50 0 IJAARN CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000002585287 569410006 /nfs/dbraw/zinc/41/00/06/569410006.db2.gz NBDHTFQPSSTETP-XMMPIXPASA-N 0 0 443.894 4.827 50 0 IJAARN COc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)ccc1OC(C)C ZINC000002617296 569410376 /nfs/dbraw/zinc/41/03/76/569410376.db2.gz BLYLDDDUIJFUFT-UHFFFAOYSA-N 0 0 425.481 4.582 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000002626012 569411704 /nfs/dbraw/zinc/41/17/04/569411704.db2.gz PNGBBZIFEPMSRD-KSSFIOAISA-N 0 0 441.557 4.732 50 0 IJAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)c1ccc(Br)cc1 ZINC000002627066 569411902 /nfs/dbraw/zinc/41/19/02/569411902.db2.gz SQIGVRJHXNBBFH-JTQLQIEISA-N 0 0 433.283 4.591 50 0 IJAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)s2)cc1C ZINC000002643465 569413896 /nfs/dbraw/zinc/41/38/96/569413896.db2.gz QYSCJMDMXUUERA-ZDUSSCGKSA-N 0 0 428.539 4.747 50 0 IJAARN CCN1C(=O)C(Cc2cccc(Cl)c2)(Cc2cccc(Cl)c2)C(=O)N(CC)C1=S ZINC000002643658 569413928 /nfs/dbraw/zinc/41/39/28/569413928.db2.gz ZITWPMDAZMDVMB-UHFFFAOYSA-N 0 0 449.403 4.761 50 0 IJAARN CCOc1ccc2nc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000002644938 569414032 /nfs/dbraw/zinc/41/40/32/569414032.db2.gz PPZURTDQGWCQJP-UHFFFAOYSA-N 0 0 432.501 4.944 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)n2C(C)C)cc1 ZINC000002644708 569414056 /nfs/dbraw/zinc/41/40/56/569414056.db2.gz VYSCNTDCYPVOOS-UHFFFAOYSA-N 0 0 426.542 4.657 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cccc(C)c1 ZINC000002691085 569416970 /nfs/dbraw/zinc/41/69/70/569416970.db2.gz CBNDOZKVTOOAGI-UHFFFAOYSA-N 0 0 433.529 4.590 50 0 IJAARN O=C(CSc1nc2ccccc2s1)NN=C/C(Br)=C\c1ccccc1 ZINC000002704904 569417407 /nfs/dbraw/zinc/41/74/07/569417407.db2.gz RQYUVKSFILBYJB-NLRSGHBVSA-N 0 0 432.368 4.926 50 0 IJAARN Clc1ccccc1OCc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)o1 ZINC000002796761 569422149 /nfs/dbraw/zinc/42/21/49/569422149.db2.gz YNACATADOZRLSA-UHFFFAOYSA-N 0 0 442.866 4.956 50 0 IJAARN O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1nn(Cc2ccccc2Cl)cc1Cl ZINC000002805310 569422664 /nfs/dbraw/zinc/42/26/64/569422664.db2.gz CNHMCSYPGPGMSN-UHFFFAOYSA-N 0 0 440.281 4.888 50 0 IJAARN O=c1c2sccc2nc(SCc2ccccc2F)n1Cc1ccc2c(c1)OCO2 ZINC000002909055 569424741 /nfs/dbraw/zinc/42/47/41/569424741.db2.gz TWICIXIJURDYSD-UHFFFAOYSA-N 0 0 426.494 4.666 50 0 IJAARN CCCn1cnc2sc(C(=O)Nc3c(C)cc(Br)cc3C)c(C)c2c1=O ZINC000002910949 569424854 /nfs/dbraw/zinc/42/48/54/569424854.db2.gz JOZRBHPKIOONGS-UHFFFAOYSA-N 0 0 434.359 4.808 50 0 IJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)c1 ZINC000002915252 569425088 /nfs/dbraw/zinc/42/50/88/569425088.db2.gz TYZHQMGJOCTEAY-JWQCQUIFSA-N 0 0 438.487 4.508 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)c1 ZINC000002915250 569425151 /nfs/dbraw/zinc/42/51/51/569425151.db2.gz TYZHQMGJOCTEAY-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(OC)c(OC)c2)c1C ZINC000002929242 569426032 /nfs/dbraw/zinc/42/60/32/569426032.db2.gz GWUNGWZEEYGQAR-UHFFFAOYSA-N 0 0 436.508 4.686 50 0 IJAARN COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1Br ZINC000002945783 569426888 /nfs/dbraw/zinc/42/68/88/569426888.db2.gz RSXWNOSJMHWDAT-RIYZIHGNSA-N 0 0 437.087 4.565 50 0 IJAARN CCCCN(C)C(=O)CSc1nc2ccccc2c(Nc2cc(OC)cc(OC)c2)n1 ZINC000002949082 569427260 /nfs/dbraw/zinc/42/72/60/569427260.db2.gz VCXMQLAKZIIHID-UHFFFAOYSA-N 0 0 440.569 4.741 50 0 IJAARN COCCn1c2ccc(Cl)cc2nc1SCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000029424637 569430157 /nfs/dbraw/zinc/43/01/57/569430157.db2.gz NJLHRSTXCZUOEC-AWEZNQCLSA-N 0 0 435.952 4.787 50 0 IJAARN CC(C)[C@H](NC(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000029404398 569430162 /nfs/dbraw/zinc/43/01/62/569430162.db2.gz KUAYHVPQNOUPIY-FQEVSTJZSA-N 0 0 430.961 4.643 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccccc2Cl)cc1 ZINC000057312342 569430744 /nfs/dbraw/zinc/43/07/44/569430744.db2.gz LMIIORUVYPIMPI-MRXNPFEDSA-N 0 0 437.927 4.890 50 0 IJAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N/c3cccc(F)c3)oc12 ZINC000002954570 569432409 /nfs/dbraw/zinc/43/24/09/569432409.db2.gz OMISTOLUESZNMF-NFFVHWSESA-N 0 0 437.858 4.906 50 0 IJAARN CC(C)(C)c1ccc(Cn2nccc2NC(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000029766271 569432685 /nfs/dbraw/zinc/43/26/85/569432685.db2.gz AYJXAANTPLFZAS-UHFFFAOYSA-N 0 0 435.553 4.912 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NCCc1ccccc1 ZINC000002969958 569433267 /nfs/dbraw/zinc/43/32/67/569433267.db2.gz MYYRUCJLGXMUPK-UHFFFAOYSA-N 0 0 447.604 4.738 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1C[C@H]1COc2ccccc2O1 ZINC000002971151 569433411 /nfs/dbraw/zinc/43/34/11/569433411.db2.gz ZPRCGTFKVOBNRM-KRWDZBQOSA-N 0 0 434.492 4.668 50 0 IJAARN CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)N(c2ccccc2)C(C)C)=N1 ZINC000057401859 569433568 /nfs/dbraw/zinc/43/35/68/569433568.db2.gz MUESTBFNTBFIBJ-UHFFFAOYSA-N 0 0 444.988 4.899 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000057425536 569434415 /nfs/dbraw/zinc/43/44/15/569434415.db2.gz BWTIIKVTZRXOLP-UHFFFAOYSA-N 0 0 447.585 4.726 50 0 IJAARN CC(C)Cn1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000057426203 569434529 /nfs/dbraw/zinc/43/45/29/569434529.db2.gz MZKWXVHWWWBTAE-UHFFFAOYSA-N 0 0 441.500 4.864 50 0 IJAARN O=c1oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)cc2c2c1CCCC2 ZINC000002991527 569435014 /nfs/dbraw/zinc/43/50/14/569435014.db2.gz UNCYCOKAVJWJBL-UHFFFAOYSA-N 0 0 425.289 4.746 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)C(C)C)CC2 ZINC000003006334 569435182 /nfs/dbraw/zinc/43/51/82/569435182.db2.gz FHMNTEDHZNCKIJ-IBGZPJMESA-N 0 0 437.458 4.883 50 0 IJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)CCc1ccccc1)CC2 ZINC000003006478 569435183 /nfs/dbraw/zinc/43/51/83/569435183.db2.gz RTFPBVZEJPCWFY-DEOSSOPVSA-N 0 0 449.522 4.981 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1cccc(Cl)c1)NC1CCCCC1 ZINC000057472578 569435640 /nfs/dbraw/zinc/43/56/40/569435640.db2.gz CNLWBPXWFZDWTN-UHFFFAOYSA-N 0 0 441.984 4.639 50 0 IJAARN CCOc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1OCC ZINC000057477206 569435806 /nfs/dbraw/zinc/43/58/06/569435806.db2.gz XKTOZNPRFBLKLI-UHFFFAOYSA-N 0 0 444.329 4.567 50 0 IJAARN CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000003022167 569436008 /nfs/dbraw/zinc/43/60/08/569436008.db2.gz YFUKYCWXFOFDCS-UHFFFAOYSA-N 0 0 432.904 4.552 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2C)c1 ZINC000003023079 569436087 /nfs/dbraw/zinc/43/60/87/569436087.db2.gz ZIZMDKLUYQEQDG-UHFFFAOYSA-N 0 0 426.513 4.910 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1)NC1CCCCC1 ZINC000057486994 569436570 /nfs/dbraw/zinc/43/65/70/569436570.db2.gz QRFZGYKEUKSUQP-UHFFFAOYSA-N 0 0 434.418 4.553 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)Cn1cccc1-c1nc(-c3cccc(Cl)c3)no1)CCO2 ZINC000057487254 569436679 /nfs/dbraw/zinc/43/66/79/569436679.db2.gz AIWZEIKXILBNQR-UHFFFAOYSA-N 0 0 434.883 4.593 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCc1ccc(F)cc1Cl ZINC000057487329 569436713 /nfs/dbraw/zinc/43/67/13/569436713.db2.gz WGHXAHDSVFKEJY-UHFFFAOYSA-N 0 0 445.281 4.967 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2cccc(F)c2)c1 ZINC000057487456 569436736 /nfs/dbraw/zinc/43/67/36/569436736.db2.gz VLFLJAJWLOXZPG-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000057487431 569436737 /nfs/dbraw/zinc/43/67/37/569436737.db2.gz PBXXRPKNLQCULC-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000057487482 569436749 /nfs/dbraw/zinc/43/67/49/569436749.db2.gz KNAOANHZJHQRGY-LJQANCHMSA-N 0 0 447.585 4.651 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000057487416 569436763 /nfs/dbraw/zinc/43/67/63/569436763.db2.gz ZZZSWACSYFYGLG-UHFFFAOYSA-N 0 0 425.510 4.626 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)c1 ZINC000057487446 569436766 /nfs/dbraw/zinc/43/67/66/569436766.db2.gz DFLIWJUALFEIRV-UHFFFAOYSA-N 0 0 449.557 4.689 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)C1 ZINC000057487785 569436826 /nfs/dbraw/zinc/43/68/26/569436826.db2.gz NEZYZHURFMSQBE-ZIAGYGMSSA-N 0 0 448.013 4.697 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)cc1 ZINC000057488516 569436922 /nfs/dbraw/zinc/43/69/22/569436922.db2.gz PCINYVOEOXNESQ-UHFFFAOYSA-N 0 0 449.601 4.781 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)Nc1cccc(F)c1 ZINC000057489334 569437038 /nfs/dbraw/zinc/43/70/38/569437038.db2.gz AFFUFXFJDQDNHA-UHFFFAOYSA-N 0 0 447.463 4.595 50 0 IJAARN O=C(CNC(=S)N(Cc1cccs1)C1CCCC1)N[C@@H]1CCCc2ccccc21 ZINC000003035613 569437912 /nfs/dbraw/zinc/43/79/12/569437912.db2.gz BKNXARLOYKNWFX-OAQYLSRUSA-N 0 0 427.639 4.561 50 0 IJAARN CCCCNC(=O)[C@@H](CC)Sc1nc2nc(C)c(Cc3cccc(Cl)c3)c(C)n2n1 ZINC000003038404 569437964 /nfs/dbraw/zinc/43/79/64/569437964.db2.gz GAQAUGGVIYOECO-LJQANCHMSA-N 0 0 446.020 4.772 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000003043910 569438607 /nfs/dbraw/zinc/43/86/07/569438607.db2.gz SFUINSYEZYFNAK-SCLBCKFNSA-N 0 0 427.957 4.636 50 0 IJAARN C[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000003049825 569438915 /nfs/dbraw/zinc/43/89/15/569438915.db2.gz BMXGUAHDZCUOCS-OAHLLOKOSA-N 0 0 435.886 4.690 50 0 IJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1C ZINC000057527935 569439189 /nfs/dbraw/zinc/43/91/89/569439189.db2.gz DQRXIEDSCURYAA-UHFFFAOYSA-N 0 0 435.833 4.838 50 0 IJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1cccc(C)c1 ZINC000003059253 569439424 /nfs/dbraw/zinc/43/94/24/569439424.db2.gz ZRBQKDTYFCSWDO-UHFFFAOYSA-N 0 0 449.601 4.960 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000003070981 569439846 /nfs/dbraw/zinc/43/98/46/569439846.db2.gz VHLXMNVPKZZQAV-KRWDZBQOSA-N 0 0 444.815 4.645 50 0 IJAARN COc1ccc(Br)cc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O ZINC000003118217 569440452 /nfs/dbraw/zinc/44/04/52/569440452.db2.gz AJISUEBGKWBPBC-RZNTYIFUSA-N 0 0 428.616 4.734 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c1C ZINC000003165676 569441100 /nfs/dbraw/zinc/44/11/00/569441100.db2.gz QRERVFJVDSXGEF-UHFFFAOYSA-N 0 0 429.567 4.667 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCCOC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003208449 569441765 /nfs/dbraw/zinc/44/17/65/569441765.db2.gz XJXBUPSBAAVNAJ-UHFFFAOYSA-N 0 0 430.957 4.988 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)Nc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000003213269 569441799 /nfs/dbraw/zinc/44/17/99/569441799.db2.gz QCOGGSOVKBEFQU-UHFFFAOYSA-N 0 0 441.466 4.615 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2c(Cl)nc3sccn32)cc1 ZINC000003241514 569442614 /nfs/dbraw/zinc/44/26/14/569442614.db2.gz XMMJSVAJXGEYNN-UHFFFAOYSA-N 0 0 426.885 4.562 50 0 IJAARN COc1ccc(NC(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)cc1Cl ZINC000003261012 569443236 /nfs/dbraw/zinc/44/32/36/569443236.db2.gz BAUUFVJUIRQOOX-UHFFFAOYSA-N 0 0 440.883 4.653 50 0 IJAARN Cc1cc(Br)ccc1SCC(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000003271024 569443586 /nfs/dbraw/zinc/44/35/86/569443586.db2.gz HHMYEHKUSHAULK-GOSISDBHSA-N 0 0 448.382 4.587 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000003274691 569443663 /nfs/dbraw/zinc/44/36/63/569443663.db2.gz HTDOVPGRSRNAGE-UHFFFAOYSA-N 0 0 440.550 4.632 50 0 IJAARN Cn1c(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)nnc1C(F)(F)F ZINC000003279075 569443773 /nfs/dbraw/zinc/44/37/73/569443773.db2.gz POGDXWDZJSNGFX-MRXNPFEDSA-N 0 0 425.407 4.873 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1C ZINC000003279270 569443774 /nfs/dbraw/zinc/44/37/74/569443774.db2.gz XHKCNRHPLOYFBI-UHFFFAOYSA-N 0 0 438.384 4.769 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3Br)n2)cc1 ZINC000003290905 569444437 /nfs/dbraw/zinc/44/44/37/569444437.db2.gz LKOGKTZKIDYYPM-UHFFFAOYSA-N 0 0 431.311 4.677 50 0 IJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nc3ccccc3s2)c1 ZINC000003299272 569444928 /nfs/dbraw/zinc/44/49/28/569444928.db2.gz SFPLRGKHLGWZLT-HNNXBMFYSA-N 0 0 434.542 4.667 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003302613 569445108 /nfs/dbraw/zinc/44/51/08/569445108.db2.gz BBTKRODZGPLZQC-OAHLLOKOSA-N 0 0 443.459 4.637 50 0 IJAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)sc2c1 ZINC000003309510 569445330 /nfs/dbraw/zinc/44/53/30/569445330.db2.gz YFCJBUXRQMTHKZ-HOTGVXAUSA-N 0 0 443.594 4.524 50 0 IJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000030629747 569445375 /nfs/dbraw/zinc/44/53/75/569445375.db2.gz SBCSANIVZOFFBV-UHFFFAOYSA-N 0 0 445.566 4.529 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000003319773 569445938 /nfs/dbraw/zinc/44/59/38/569445938.db2.gz FENVMIKRAZBTQA-UHFFFAOYSA-N 0 0 441.505 4.563 50 0 IJAARN COCCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 ZINC000003330976 569446437 /nfs/dbraw/zinc/44/64/37/569446437.db2.gz CIKWNBBTXCLCCF-UHFFFAOYSA-N 0 0 430.533 4.629 50 0 IJAARN Cc1cc2nnc(SCc3nc(=O)c4c5c(sc4[nH]3)CCCC5)n2c2ccccc12 ZINC000003347632 569447197 /nfs/dbraw/zinc/44/71/97/569447197.db2.gz LBTBFINQQHVGQS-UHFFFAOYSA-N 0 0 433.562 4.660 50 0 IJAARN CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccco1 ZINC000003350019 569447293 /nfs/dbraw/zinc/44/72/93/569447293.db2.gz QYIMAQLTJRCSRQ-UHFFFAOYSA-N 0 0 439.566 4.796 50 0 IJAARN COc1ccc(NC(=O)COC(=O)CSc2cccc3cccc(Cl)c32)cc1OC ZINC000003349687 569447331 /nfs/dbraw/zinc/44/73/31/569447331.db2.gz QQYZROXAWUDQNE-UHFFFAOYSA-N 0 0 445.924 4.784 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2C)cc1 ZINC000003352443 569447418 /nfs/dbraw/zinc/44/74/18/569447418.db2.gz FMEXSCBBGNJKBC-UHFFFAOYSA-N 0 0 429.929 4.539 50 0 IJAARN Cc1cc2oc(=O)cc(CSc3nnc(Cc4cccc5ccccc54)n3N)c2cc1C ZINC000003358545 569447742 /nfs/dbraw/zinc/44/77/42/569447742.db2.gz ZWAUNQDAVAHCMF-UHFFFAOYSA-N 0 0 442.544 4.751 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1OC ZINC000003363104 569448013 /nfs/dbraw/zinc/44/80/13/569448013.db2.gz BANYFAMSNGINNJ-UHFFFAOYSA-N 0 0 435.505 4.579 50 0 IJAARN Cn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccc(Cl)cc1 ZINC000003365586 569448178 /nfs/dbraw/zinc/44/81/78/569448178.db2.gz CFHFJZMEGMOATK-UHFFFAOYSA-N 0 0 428.764 4.935 50 0 IJAARN CCCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c21)[C@@H](C)C(=O)Nc1ccccc1 ZINC000058159161 569449115 /nfs/dbraw/zinc/44/91/15/569449115.db2.gz NWCGJHWUODQLPM-INIZCTEOSA-N 0 0 432.480 4.671 50 0 IJAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003403560 569449832 /nfs/dbraw/zinc/44/98/32/569449832.db2.gz HHDKGWMAKXXFOZ-MRXNPFEDSA-N 0 0 446.878 4.729 50 0 IJAARN Cc1sc2ncnc(Sc3nnc(-c4cccs4)n3C[C@H]3CCCO3)c2c1C ZINC000003423097 569450506 /nfs/dbraw/zinc/45/05/06/569450506.db2.gz UTAVVODYGWKRQC-CYBMUJFWSA-N 0 0 429.596 4.958 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000003439292 569451123 /nfs/dbraw/zinc/45/11/23/569451123.db2.gz GNUCPTJZZYLGMM-SFHVURJKSA-N 0 0 426.567 4.576 50 0 IJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 ZINC000003442529 569451266 /nfs/dbraw/zinc/45/12/66/569451266.db2.gz IMHGDQHSKCFABB-MHZLTWQESA-N 0 0 449.595 4.578 50 0 IJAARN O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1sc2cc(F)ccc2c1Cl ZINC000003445779 569451398 /nfs/dbraw/zinc/45/13/98/569451398.db2.gz GNWIKMMMWFCCCB-UHFFFAOYSA-N 0 0 431.872 4.927 50 0 IJAARN Cn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)NCCC1=CCCCC1 ZINC000003448197 569451459 /nfs/dbraw/zinc/45/14/59/569451459.db2.gz AWSBVXNSJBFAQF-UHFFFAOYSA-N 0 0 439.606 4.761 50 0 IJAARN CCCCn1c2ccccc2nc(CCC(=O)OCc2csc(-c3ccccc3)n2)c1=O ZINC000003448325 569451492 /nfs/dbraw/zinc/45/14/92/569451492.db2.gz CXNPMGGMKHQQCM-UHFFFAOYSA-N 0 0 447.560 4.996 50 0 IJAARN O=C(CSc1nnc2n1CCCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003451299 569451657 /nfs/dbraw/zinc/45/16/57/569451657.db2.gz VVLJLXWFNGDJTQ-UHFFFAOYSA-N 0 0 440.956 4.620 50 0 IJAARN CCCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccncc1 ZINC000003451129 569451673 /nfs/dbraw/zinc/45/16/73/569451673.db2.gz YZAFJSYBJAPVOE-UHFFFAOYSA-N 0 0 435.525 4.796 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000003454652 569451720 /nfs/dbraw/zinc/45/17/20/569451720.db2.gz KBRXQCITRNEQJZ-HNNXBMFYSA-N 0 0 429.973 4.675 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003491559 569452594 /nfs/dbraw/zinc/45/25/94/569452594.db2.gz VKFIIYKFULYWRG-QGZVFWFLSA-N 0 0 445.548 4.766 50 0 IJAARN C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000003495829 569452697 /nfs/dbraw/zinc/45/26/97/569452697.db2.gz UJTOTJXUJFUXHR-MAUKXSAKSA-N 0 0 436.537 4.795 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000031038708 569452788 /nfs/dbraw/zinc/45/27/88/569452788.db2.gz WMGNAHRRUJBYIE-ZDUSSCGKSA-N 0 0 439.553 4.621 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCc1cccs1 ZINC000003534542 569453473 /nfs/dbraw/zinc/45/34/73/569453473.db2.gz VEUXMWLYXDYOQJ-UHFFFAOYSA-N 0 0 444.969 4.710 50 0 IJAARN Cc1ccc(-c2nc(NC(=O)CSc3nnc4cc(C)c5ccccc5n43)ns2)cc1 ZINC000003655251 569455734 /nfs/dbraw/zinc/45/57/34/569455734.db2.gz TVOGGBKTZCTBQH-UHFFFAOYSA-N 0 0 446.561 4.749 50 0 IJAARN O=C(c1ccccc1Cl)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 ZINC000003654130 569455755 /nfs/dbraw/zinc/45/57/55/569455755.db2.gz AYRIRWUYFDOZMK-UHFFFAOYSA-N 0 0 445.905 4.544 50 0 IJAARN COc1cc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc(OC)c1Br ZINC000031330434 569456003 /nfs/dbraw/zinc/45/60/03/569456003.db2.gz ZJJCQXAZVFHQKT-UHFFFAOYSA-N 0 0 448.235 4.637 50 0 IJAARN O=S(=O)(Nc1ccc(Br)c(Br)c1)c1ccc(Cl)cc1 ZINC000003991763 569457484 /nfs/dbraw/zinc/45/74/84/569457484.db2.gz OIZGKVGNTIEUPY-UHFFFAOYSA-N 0 0 425.529 4.666 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Br)cc1F ZINC000031959735 569458579 /nfs/dbraw/zinc/45/85/79/569458579.db2.gz VMMKLJZUCXATOY-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)C[C@@H](OC(C)=O)[C@H]32)C1 ZINC000004082218 569458712 /nfs/dbraw/zinc/45/87/12/569458712.db2.gz MUKWHGGWGASXHY-LJSYBWGZSA-N 0 0 432.601 4.954 50 0 biogenic IJAARN O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000032093161 569459737 /nfs/dbraw/zinc/45/97/37/569459737.db2.gz WNYAWGCDQLZISA-DEOSSOPVSA-N 0 0 433.939 4.918 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1C ZINC000004123002 569460042 /nfs/dbraw/zinc/46/00/42/569460042.db2.gz FFYKUKCPLQOEFP-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN CC(C)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000032101538 569460086 /nfs/dbraw/zinc/46/00/86/569460086.db2.gz ZWUCWMNBYKSNOT-HSZRJFAPSA-N 0 0 438.890 4.945 50 0 IJAARN COc1cccc(NC(=O)c2oc3nc(-c4ccco4)c4c(c3c2N)CC(C)(C)OC4)c1 ZINC000032102632 569460143 /nfs/dbraw/zinc/46/01/43/569460143.db2.gz YOXDRSBAVBIQOF-UHFFFAOYSA-N 0 0 433.464 4.782 50 0 IJAARN CCCCc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)cc1 ZINC000004248693 569461379 /nfs/dbraw/zinc/46/13/79/569461379.db2.gz SQIQOYQDVCSVKZ-UHFFFAOYSA-N 0 0 425.554 4.963 50 0 IJAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000032350814 569461432 /nfs/dbraw/zinc/46/14/32/569461432.db2.gz OBUZTRKPWMVHBI-FQEVSTJZSA-N 0 0 445.544 4.539 50 0 IJAARN CCCCn1nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c2ccccc2c1=O ZINC000032505617 569461947 /nfs/dbraw/zinc/46/19/47/569461947.db2.gz YOERDMPPUCZMKF-UHFFFAOYSA-N 0 0 447.535 4.510 50 0 IJAARN CC1CCN(c2ccc(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2)CC1 ZINC000008193607 569462435 /nfs/dbraw/zinc/46/24/35/569462435.db2.gz UOBXYZLTHVXMIV-UHFFFAOYSA-N 0 0 425.536 4.968 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000008328428 569462596 /nfs/dbraw/zinc/46/25/96/569462596.db2.gz WOTICJXRZCLKNY-AREMUKBSSA-N 0 0 427.548 4.900 50 0 IJAARN O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1cccc(F)c1 ZINC000038487259 569462893 /nfs/dbraw/zinc/46/28/93/569462893.db2.gz WZHUNTRCPZVCPI-UHFFFAOYSA-N 0 0 427.391 4.576 50 0 IJAARN O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)Nc1ccccc1C(F)(F)F ZINC000038489756 569463115 /nfs/dbraw/zinc/46/31/15/569463115.db2.gz HPCVUHDKXDCFDM-UHFFFAOYSA-N 0 0 433.839 4.543 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1CCC1=CCCCC1 ZINC000008391223 569463190 /nfs/dbraw/zinc/46/31/90/569463190.db2.gz CWIVSDIOHNMUFC-CRICUBBOSA-N 0 0 425.573 4.679 50 0 IJAARN CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000067207471 569464734 /nfs/dbraw/zinc/46/47/34/569464734.db2.gz ZCBFENXAXYGBOC-KRWDZBQOSA-N 0 0 443.345 4.759 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)cc1Cl ZINC000067235698 569465384 /nfs/dbraw/zinc/46/53/84/569465384.db2.gz VGNBLWLBOJOPSA-UHFFFAOYSA-N 0 0 441.318 4.656 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237883 569465526 /nfs/dbraw/zinc/46/55/26/569465526.db2.gz ABHQQIGYAWKJAL-UHFFFAOYSA-N 0 0 439.368 4.727 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000067245583 569465901 /nfs/dbraw/zinc/46/59/01/569465901.db2.gz BAHMOAARWPMOHJ-UHFFFAOYSA-N 0 0 428.579 4.544 50 0 IJAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000067246331 569466005 /nfs/dbraw/zinc/46/60/05/569466005.db2.gz SKEPSQCUHBVDJH-UHFFFAOYSA-N 0 0 430.430 4.570 50 0 IJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2OC)cc1 ZINC000067258895 569466195 /nfs/dbraw/zinc/46/61/95/569466195.db2.gz DAIJEZKNJMMAMW-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN CCOc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1 ZINC000067260246 569466318 /nfs/dbraw/zinc/46/63/18/569466318.db2.gz UXDAJLLUWAQGOP-UHFFFAOYSA-N 0 0 434.561 4.958 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1OC ZINC000038678226 569466617 /nfs/dbraw/zinc/46/66/17/569466617.db2.gz ZNWFTVNQYFIZOH-UKTHLTGXSA-N 0 0 442.515 4.554 50 0 IJAARN CCOc1cc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)ccc1OC ZINC000067262238 569466630 /nfs/dbraw/zinc/46/66/30/569466630.db2.gz RURHQXDDSIUIOH-UHFFFAOYSA-N 0 0 425.492 4.964 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc43)CC2)c1 ZINC000067263329 569466668 /nfs/dbraw/zinc/46/66/68/569466668.db2.gz XFANCXWAAVQEHY-UHFFFAOYSA-N 0 0 434.547 4.888 50 0 IJAARN Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067292197 569467766 /nfs/dbraw/zinc/46/77/66/569467766.db2.gz PXEMZADITNRMBH-JUZPYSENSA-N 0 0 441.325 4.645 50 0 IJAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067293349 569467777 /nfs/dbraw/zinc/46/77/77/569467777.db2.gz QXKQKJABDXLZNQ-MEFGMAGPSA-N 0 0 441.365 4.917 50 0 IJAARN Cc1cc2nc(SCC(=O)N[C@H](C)c3ccc(C)cc3)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000067319547 569468579 /nfs/dbraw/zinc/46/85/79/569468579.db2.gz VXDLAJMOCBXDNK-GOSISDBHSA-N 0 0 446.576 4.609 50 0 IJAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cnn(-c4ccccc4)c3C)nc21 ZINC000038839707 569469203 /nfs/dbraw/zinc/46/92/03/569469203.db2.gz OJGVVNUKXOENHJ-GOSISDBHSA-N 0 0 448.548 4.625 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nnc1-c1ccco1 ZINC000008706997 569470586 /nfs/dbraw/zinc/47/05/86/569470586.db2.gz LHPXLIHBHMIDGQ-UHFFFAOYSA-N 0 0 431.518 4.674 50 0 IJAARN CCCCn1nc(C)c(C(=O)N(C)Cc2cc(Br)ccc2OC)c1Cl ZINC000008709642 569470816 /nfs/dbraw/zinc/47/08/16/569470816.db2.gz NZCVEMXNDAOSKO-UHFFFAOYSA-N 0 0 428.758 4.688 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008710277 569470857 /nfs/dbraw/zinc/47/08/57/569470857.db2.gz SXUWXMUMUMTFPF-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccc(F)cc1 ZINC000008710710 569470944 /nfs/dbraw/zinc/47/09/44/569470944.db2.gz IBGJJICYNJMZSN-IAGOWNOFSA-N 0 0 443.478 4.859 50 0 IJAARN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000008722298 569471795 /nfs/dbraw/zinc/47/17/95/569471795.db2.gz GJUFMUYKDAOPEM-HAHDFKILSA-N 0 0 434.492 4.733 50 0 IJAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1F ZINC000008734648 569472571 /nfs/dbraw/zinc/47/25/71/569472571.db2.gz FLYWQBUXOVFKAR-UHFFFAOYSA-N 0 0 448.903 4.676 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000008749803 569473279 /nfs/dbraw/zinc/47/32/79/569473279.db2.gz UFNLRCJYNNRYJH-ZWKOTPCHSA-N 0 0 433.479 4.788 50 0 IJAARN Cc1cc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755955 569473998 /nfs/dbraw/zinc/47/39/98/569473998.db2.gz SIXWGPHKRRLPGS-GOSISDBHSA-N 0 0 431.565 4.609 50 0 IJAARN Cc1cc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)n(-c2ccccc2)n1 ZINC000008755951 569474028 /nfs/dbraw/zinc/47/40/28/569474028.db2.gz SIXWGPHKRRLPGS-SFHVURJKSA-N 0 0 431.565 4.609 50 0 IJAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000008764620 569474605 /nfs/dbraw/zinc/47/46/05/569474605.db2.gz QQDFKLDLRGFVDP-UHFFFAOYSA-N 0 0 449.547 4.505 50 0 biogenic IJAARN CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000008773816 569475308 /nfs/dbraw/zinc/47/53/08/569475308.db2.gz KGRSPDOWHRHVCX-LUPSEXQWSA-N 0 0 442.515 4.704 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008777285 569475403 /nfs/dbraw/zinc/47/54/03/569475403.db2.gz KMRLQNVYFUVICE-MRXNPFEDSA-N 0 0 436.581 4.600 50 0 IJAARN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000008781764 569475695 /nfs/dbraw/zinc/47/56/95/569475695.db2.gz ZUADWSZKQKJGGS-UHFFFAOYSA-N 0 0 444.509 4.657 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008790715 569476101 /nfs/dbraw/zinc/47/61/01/569476101.db2.gz SOWNFUYKOJOTFG-OTGIWPJISA-N 0 0 449.554 4.775 50 0 biogenic IJAARN CCn1c(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)nnc1-c1cccs1 ZINC000008824047 569477167 /nfs/dbraw/zinc/47/71/67/569477167.db2.gz MGOWAKFFXLALRN-UHFFFAOYSA-N 0 0 427.555 4.705 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CN(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1C ZINC000008828362 569477835 /nfs/dbraw/zinc/47/78/35/569477835.db2.gz SNXOJRXVYKWDTJ-UHFFFAOYSA-N 0 0 448.523 4.559 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000008844172 569478626 /nfs/dbraw/zinc/47/86/26/569478626.db2.gz KWKJVDIWRJEPJE-GFCCVEGCSA-N 0 0 444.438 4.739 50 0 IJAARN COc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000008844996 569478628 /nfs/dbraw/zinc/47/86/28/569478628.db2.gz UMBGRVGPMHXRFL-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846096 569478978 /nfs/dbraw/zinc/47/89/78/569478978.db2.gz QMSDFSSOHKJGCT-QHCPKHFHSA-N 0 0 426.472 4.641 50 0 IJAARN O=C(CSc1nc(CC(=O)NCCC2=CCCCC2)cs1)Nc1ccc(F)cc1 ZINC000008851851 569479382 /nfs/dbraw/zinc/47/93/82/569479382.db2.gz IBJSGMOTBNJJNB-UHFFFAOYSA-N 0 0 433.574 4.562 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000008851570 569479417 /nfs/dbraw/zinc/47/94/17/569479417.db2.gz AWGPBYDFGRDDJK-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN COc1cc(C)ccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000008852143 569479459 /nfs/dbraw/zinc/47/94/59/569479459.db2.gz XSQZFYWDFVYGGP-UHFFFAOYSA-N 0 0 445.541 4.511 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000008867277 569480273 /nfs/dbraw/zinc/48/02/73/569480273.db2.gz CTWHKWSYZCIIBK-JCMHNJIXSA-N 0 0 447.922 4.853 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2c(C)cccc2C)cc1OCCC ZINC000008867457 569480290 /nfs/dbraw/zinc/48/02/90/569480290.db2.gz JBNPONDTCFUZSG-UHFFFAOYSA-N 0 0 439.512 4.949 50 0 IJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000008869516 569480411 /nfs/dbraw/zinc/48/04/11/569480411.db2.gz NPSVSROYFOWBFX-QHCPKHFHSA-N 0 0 439.467 4.633 50 0 IJAARN Cc1ccc(/C=C/C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008869700 569480474 /nfs/dbraw/zinc/48/04/74/569480474.db2.gz CVNRTCPHJNDOCR-UDFXALJUSA-N 0 0 425.594 4.522 50 0 IJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 ZINC000008871431 569480841 /nfs/dbraw/zinc/48/08/41/569480841.db2.gz KKWSXFWZDRYNAX-LJQANCHMSA-N 0 0 427.504 4.644 50 0 IJAARN Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2ccc(Cl)cc2Cl)n1 ZINC000039383690 569481500 /nfs/dbraw/zinc/48/15/00/569481500.db2.gz RXMOPDSZJJCDPO-UHFFFAOYSA-N 0 0 445.354 4.822 50 0 IJAARN CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 ZINC000068785718 569481981 /nfs/dbraw/zinc/48/19/81/569481981.db2.gz MVIOBCPMVAMRBZ-UWJYYQICSA-N 0 0 438.959 4.582 50 0 IJAARN CSc1nnc(CCCNc2nc(C)nc3sc4c(c32)CCC4)n1C1CCCC1 ZINC000039982745 569482242 /nfs/dbraw/zinc/48/22/42/569482242.db2.gz WOBCQMTYOIVGJY-UHFFFAOYSA-N 0 0 428.631 4.962 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)CSc3nccn3-c3cccc(F)c3)s2)cs1 ZINC000039996886 569482449 /nfs/dbraw/zinc/48/24/49/569482449.db2.gz WJSAFLQVSKRQTM-UHFFFAOYSA-N 0 0 444.582 4.913 50 0 IJAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCC(=O)Nc2ccccc2-c2ccccc2)C1=O ZINC000040024996 569482813 /nfs/dbraw/zinc/48/28/13/569482813.db2.gz SYMAOZUDDTYQHD-AREMUKBSSA-N 0 0 445.494 4.679 50 0 IJAARN CCOc1ccccc1-c1nnc2n1N=C(c1ccc(NC(=O)C(C)C)cc1)[C@H](C)S2 ZINC000008882396 569482940 /nfs/dbraw/zinc/48/29/40/569482940.db2.gz IZUJUDBEJWTBLA-HNNXBMFYSA-N 0 0 435.553 4.685 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000008897724 569483939 /nfs/dbraw/zinc/48/39/39/569483939.db2.gz HALFQOLFCWFHPV-SNVBAGLBSA-N 0 0 433.986 4.802 50 0 IJAARN Cc1ccc2nc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)sc2c1 ZINC000008898184 569483991 /nfs/dbraw/zinc/48/39/91/569483991.db2.gz AYHWAZWDLIUILG-UHFFFAOYSA-N 0 0 427.580 4.990 50 0 IJAARN COc1ccc(N2C(=S)N[C@@H](c3sccc3C)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000040050433 569484232 /nfs/dbraw/zinc/48/42/32/569484232.db2.gz RKKZMCODAPQUHZ-LJQANCHMSA-N 0 0 446.594 4.735 50 0 IJAARN COc1cccc(CNC(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)c1 ZINC000008911764 569484887 /nfs/dbraw/zinc/48/48/87/569484887.db2.gz VOUPSXVSAUKSJN-UHFFFAOYSA-N 0 0 435.524 4.943 50 0 IJAARN COc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c(OC)c1 ZINC000008917572 569486064 /nfs/dbraw/zinc/48/60/64/569486064.db2.gz RFAOSOOOYFBBFL-UHFFFAOYSA-N 0 0 433.892 4.831 50 0 IJAARN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc2)c1C ZINC000040081326 569486589 /nfs/dbraw/zinc/48/65/89/569486589.db2.gz VQELRBHHVCWZPT-UHFFFAOYSA-N 0 0 430.508 4.637 50 0 IJAARN Cc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000008932522 569487641 /nfs/dbraw/zinc/48/76/41/569487641.db2.gz SJKKONSGSAWKNT-UHFFFAOYSA-N 0 0 444.890 4.662 50 0 IJAARN Cc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000008932610 569487647 /nfs/dbraw/zinc/48/76/47/569487647.db2.gz UCEQFRLTGLOUNU-UHFFFAOYSA-N 0 0 426.900 4.523 50 0 IJAARN Cc1cccc(C)c1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933028 569487737 /nfs/dbraw/zinc/48/77/37/569487737.db2.gz SUECXSVOSGHQFC-UHFFFAOYSA-N 0 0 436.515 4.655 50 0 IJAARN CCc1ccc(NC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)cc1 ZINC000008933031 569487752 /nfs/dbraw/zinc/48/77/52/569487752.db2.gz YEYRMALWAKTYLZ-UHFFFAOYSA-N 0 0 436.515 4.601 50 0 IJAARN Cc1nc(COc2ccc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cc2)cs1 ZINC000008935761 569488013 /nfs/dbraw/zinc/48/80/13/569488013.db2.gz NKWWRHUEGRUSJQ-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008945574 569489076 /nfs/dbraw/zinc/48/90/76/569489076.db2.gz QDMVIUULJRWARQ-INIZCTEOSA-N 0 0 436.606 4.744 50 0 IJAARN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000040117385 569489300 /nfs/dbraw/zinc/48/93/00/569489300.db2.gz NWICBGOKXVFESG-QHCPKHFHSA-N 0 0 426.507 4.865 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000069055512 569489964 /nfs/dbraw/zinc/48/99/64/569489964.db2.gz KYMGRLZBSPJQSH-ADLMAVQZSA-N 0 0 429.294 4.903 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1OC ZINC000008959296 569490341 /nfs/dbraw/zinc/49/03/41/569490341.db2.gz SVYWIIWGIMVUKI-UHFFFAOYSA-N 0 0 440.540 4.754 50 0 IJAARN Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc1O2 ZINC000008961349 569490991 /nfs/dbraw/zinc/49/09/91/569490991.db2.gz QLVNMIYKFSCCMP-UHFFFAOYSA-N 0 0 428.897 4.948 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2C1=O ZINC000008961173 569490996 /nfs/dbraw/zinc/49/09/96/569490996.db2.gz WSDADFHYGPAEIX-UHFFFAOYSA-N 0 0 426.469 4.540 50 0 IJAARN CC[C@@H](C(=O)N[C@H](C)c1ccccc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965279 569491399 /nfs/dbraw/zinc/49/13/99/569491399.db2.gz COMJLRZWEHICDC-HXOBKFHXSA-N 0 0 428.536 4.633 50 0 IJAARN CN(c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1F)C1CCCCC1 ZINC000040145373 569492108 /nfs/dbraw/zinc/49/21/08/569492108.db2.gz DDCXIZHWVIDWFZ-UHFFFAOYSA-N 0 0 442.535 4.614 50 0 IJAARN Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000040146337 569492274 /nfs/dbraw/zinc/49/22/74/569492274.db2.gz BPPMNJJFHWRVLL-UHFFFAOYSA-N 0 0 449.898 4.944 50 0 IJAARN O=C(Nc1cccc(Br)c1)c1cccc(NS(=O)(=O)Cc2ccccc2)c1 ZINC000040146480 569492309 /nfs/dbraw/zinc/49/23/09/569492309.db2.gz OIYVYNFEINZJQQ-UHFFFAOYSA-N 0 0 445.338 4.643 50 0 IJAARN CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008972221 569492785 /nfs/dbraw/zinc/49/27/85/569492785.db2.gz MCPOKWCXDDUCQG-DEOSSOPVSA-N 0 0 442.544 4.650 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(-c2n[nH]c(C3CC3)n2)c1 ZINC000040150961 569493228 /nfs/dbraw/zinc/49/32/28/569493228.db2.gz CPOLYAWIDATTDX-UHFFFAOYSA-N 0 0 440.429 4.665 50 0 IJAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000040152699 569493517 /nfs/dbraw/zinc/49/35/17/569493517.db2.gz AXFMBGCPLJCUOF-UHFFFAOYSA-N 0 0 440.438 4.637 50 0 IJAARN Cc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2C2CCN(C(=O)c3ccco3)CC2)cc1C ZINC000040157702 569494389 /nfs/dbraw/zinc/49/43/89/569494389.db2.gz BLBFKYNWZYAMSF-DQEYMECFSA-N 0 0 444.531 4.532 50 0 IJAARN CN(C(=O)CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCCC1 ZINC000040160067 569495048 /nfs/dbraw/zinc/49/50/48/569495048.db2.gz GEYLWSATIWYLAQ-UHFFFAOYSA-N 0 0 439.553 4.551 50 0 IJAARN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000008992516 569495388 /nfs/dbraw/zinc/49/53/88/569495388.db2.gz ROABYCNEFKJMFW-UHFFFAOYSA-N 0 0 448.335 4.983 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000009036675 569497300 /nfs/dbraw/zinc/49/73/00/569497300.db2.gz JBZSSVWIGODZPL-UHFFFAOYSA-N 0 0 445.302 4.802 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040287564 569498208 /nfs/dbraw/zinc/49/82/08/569498208.db2.gz XNVBHHCVGUSHPS-UHFFFAOYSA-N 0 0 443.503 4.826 50 0 IJAARN COc1cc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc(OC)c1OC ZINC000040288003 569498422 /nfs/dbraw/zinc/49/84/22/569498422.db2.gz STNKLCXGWZOXPR-UHFFFAOYSA-N 0 0 446.503 4.885 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)Oc3ccccc3F)o2)c1 ZINC000009050416 569498611 /nfs/dbraw/zinc/49/86/11/569498611.db2.gz XZVHXUYGFYQDID-KGLIPLIRSA-N 0 0 429.473 4.671 50 0 IJAARN COc1ccc(-c2coc3cc(OCC(=O)NCCC4=CCCCC4)ccc3c2=O)cc1 ZINC000009051195 569498735 /nfs/dbraw/zinc/49/87/35/569498735.db2.gz CKHGYHPDMLLWCT-UHFFFAOYSA-N 0 0 433.504 4.854 50 0 biogenic IJAARN COc1ccc(NC(=O)c2cnc3nc(SCc4cccc(Cl)c4)nn3c2C)cc1 ZINC000009059479 569499359 /nfs/dbraw/zinc/49/93/59/569499359.db2.gz XVEYCXKUHGUACE-UHFFFAOYSA-N 0 0 439.928 4.639 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355886 569499896 /nfs/dbraw/zinc/49/98/96/569499896.db2.gz SKBYEJMMKPUTPJ-UHFFFAOYSA-N 0 0 441.381 4.622 50 0 IJAARN COc1cccc(CNC(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)c1 ZINC000040355823 569499903 /nfs/dbraw/zinc/49/99/03/569499903.db2.gz WHIULXPUIDJYDH-UHFFFAOYSA-N 0 0 436.320 4.641 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245236772 569500411 /nfs/dbraw/zinc/50/04/11/569500411.db2.gz VQRFUCDGOCDZBS-QZTZHPFYSA-N 0 0 445.629 4.677 50 0 IJAARN Cc1ccc2c(c1)sc1nc(C(C)(C)C)c(CN3CCN(C(=O)NC(C)(C)C)CC3)n21 ZINC000040387791 569500914 /nfs/dbraw/zinc/50/09/14/569500914.db2.gz NMXAAOFIVZHFAJ-UHFFFAOYSA-N 0 0 441.645 4.781 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1OC ZINC000009100549 569501500 /nfs/dbraw/zinc/50/15/00/569501500.db2.gz OLQGJAZOPOKLMS-UHFFFAOYSA-N 0 0 443.503 4.780 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(C)cc3OC)ncn2)C[C@H]1C ZINC000245279132 569502081 /nfs/dbraw/zinc/50/20/81/569502081.db2.gz DSYKBWZNICKLGR-WOJBJXKFSA-N 0 0 440.588 4.839 50 0 IJAARN CCOC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O ZINC000009113272 569502522 /nfs/dbraw/zinc/50/25/22/569502522.db2.gz DMYQQGYTHUJZCA-CIAFOILYSA-N 0 0 434.517 4.597 50 0 IJAARN CCOc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000009115452 569502747 /nfs/dbraw/zinc/50/27/47/569502747.db2.gz DNTJWIFZAQTLLU-GDLZYMKVSA-N 0 0 431.941 4.612 50 0 IJAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 ZINC000009118253 569503263 /nfs/dbraw/zinc/50/32/63/569503263.db2.gz QATLLBGPHVCZOP-UHFFFAOYSA-N 0 0 431.508 4.519 50 0 IJAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)CCCC2 ZINC000009126327 569504872 /nfs/dbraw/zinc/50/48/72/569504872.db2.gz KENDAWAJYFTILP-UHFFFAOYSA-N 0 0 441.336 4.688 50 0 IJAARN CC(C)[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000009127673 569505237 /nfs/dbraw/zinc/50/52/37/569505237.db2.gz MQASXBMLGSHQLX-DEOSSOPVSA-N 0 0 427.504 4.686 50 0 IJAARN O=C(Nc1ccc(C2(C(=O)NC[C@H]3CCCO3)CCCCC2)cc1)c1cc(F)ccc1F ZINC000040454870 569506492 /nfs/dbraw/zinc/50/64/92/569506492.db2.gz GRRWFVOXVSVPEH-HXUWFJFHSA-N 0 0 442.506 4.714 50 0 IJAARN Clc1cc(Cl)cc(-c2nnc3ccc(N4CCO[C@H](c5ccccc5)C4)nn32)c1 ZINC000069441308 569506529 /nfs/dbraw/zinc/50/65/29/569506529.db2.gz CZKPHFQUXPPKMD-SFHVURJKSA-N 0 0 426.307 4.676 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2c(C[NH2+]Cc2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC000009152393 569507832 /nfs/dbraw/zinc/50/78/32/569507832.db2.gz DVLOSCGEJMSKJL-UHFFFAOYSA-N 0 0 428.488 4.715 50 0 IJAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc2ccccc2oc1=O ZINC000069586863 569508441 /nfs/dbraw/zinc/50/84/41/569508441.db2.gz KFMHZCTZMNQQQB-UHFFFAOYSA-N 0 0 432.303 4.578 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000009174281 569509641 /nfs/dbraw/zinc/50/96/41/569509641.db2.gz PFVJHWRYEJNNLD-UHFFFAOYSA-N 0 0 444.597 4.902 50 0 IJAARN COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1-c1cccc(OC)c1 ZINC000009192410 569510780 /nfs/dbraw/zinc/51/07/80/569510780.db2.gz FCLPJSRPCGZYHP-AREMUKBSSA-N 0 0 440.499 4.572 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000009197919 569511049 /nfs/dbraw/zinc/51/10/49/569511049.db2.gz QNHAJNSSNDNKCK-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1-c1ccccc1C ZINC000009205881 569511369 /nfs/dbraw/zinc/51/13/69/569511369.db2.gz LXIZXLDQPIBUMG-UHFFFAOYSA-N 0 0 435.597 4.995 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009206739 569511373 /nfs/dbraw/zinc/51/13/73/569511373.db2.gz ZLMUESRXVDUCDU-OAQYLSRUSA-N 0 0 438.553 4.774 50 0 IJAARN COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 ZINC000009208735 569511501 /nfs/dbraw/zinc/51/15/01/569511501.db2.gz MYRSPJPTBPEXBQ-SANMLTNESA-N 0 0 438.531 4.749 50 0 IJAARN Cc1nc2[nH]c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc2cc1Br ZINC000009210905 569511664 /nfs/dbraw/zinc/51/16/64/569511664.db2.gz YIROVRFMMZJYQJ-UHFFFAOYSA-N 0 0 429.702 4.552 50 0 IJAARN O=C(Nc1ccccc1Br)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000009211678 569511812 /nfs/dbraw/zinc/51/18/12/569511812.db2.gz IGVCEAPGJAEWBQ-UHFFFAOYSA-N 0 0 425.261 4.817 50 0 IJAARN COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000009215718 569512030 /nfs/dbraw/zinc/51/20/30/569512030.db2.gz BCAOBNXRRGYLNZ-UHFFFAOYSA-N 0 0 439.943 4.501 50 0 IJAARN COc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc(Cl)c1OC(C)=O ZINC000009215683 569512065 /nfs/dbraw/zinc/51/20/65/569512065.db2.gz GHJLUHGKZGEMFC-UUASQNMZSA-N 0 0 440.666 4.925 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)CCCC2 ZINC000009216803 569512225 /nfs/dbraw/zinc/51/22/25/569512225.db2.gz ODMNPMBJJASIDL-INIZCTEOSA-N 0 0 433.581 4.523 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnc(-c3ccccc3F)o2)C1=O ZINC000009217228 569512234 /nfs/dbraw/zinc/51/22/34/569512234.db2.gz GTZIGCBUOGLQAE-QGZVFWFLSA-N 0 0 445.903 4.843 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccco1 ZINC000009217782 569512313 /nfs/dbraw/zinc/51/23/13/569512313.db2.gz RKDAFBCAEXTQMI-NRFANRHFSA-N 0 0 448.906 4.851 50 0 IJAARN Cn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc2sc3c(c2c1=O)CCCC3 ZINC000009219407 569512468 /nfs/dbraw/zinc/51/24/68/569512468.db2.gz PSJDIDNCYWGVNN-UHFFFAOYSA-N 0 0 428.623 4.751 50 0 IJAARN O=C(CCNc1ccccc1)OCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000009220910 569512590 /nfs/dbraw/zinc/51/25/90/569512590.db2.gz XXESXFXIGGDUAO-UHFFFAOYSA-N 0 0 449.576 4.601 50 0 IJAARN O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000009221432 569512603 /nfs/dbraw/zinc/51/26/03/569512603.db2.gz CESCUFXRSNIEIR-UHFFFAOYSA-N 0 0 443.528 4.583 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000009222162 569512647 /nfs/dbraw/zinc/51/26/47/569512647.db2.gz GRSKZTNCKBCOQJ-UHFFFAOYSA-N 0 0 436.533 4.824 50 0 IJAARN CCN(Cc1nc(-c2cccc(Br)c2)no1)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000009223946 569513036 /nfs/dbraw/zinc/51/30/36/569513036.db2.gz XOVVYOWQTVOKKU-HNNXBMFYSA-N 0 0 443.345 4.657 50 0 IJAARN CSc1ccc(CCNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1 ZINC000009228915 569513671 /nfs/dbraw/zinc/51/36/71/569513671.db2.gz WYXVFBOJNDLEMA-UHFFFAOYSA-N 0 0 447.560 4.582 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccc(C)cc2)cc1 ZINC000009236273 569514119 /nfs/dbraw/zinc/51/41/19/569514119.db2.gz ZKSAXOXIXDLUGU-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1)S2 ZINC000009239394 569514484 /nfs/dbraw/zinc/51/44/84/569514484.db2.gz TVPPDUKNPGOEPE-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN Cc1csc(N(C(=O)CSc2nnnn2-c2cc(C)ccc2C)c2ccccc2)n1 ZINC000009244511 569515079 /nfs/dbraw/zinc/51/50/79/569515079.db2.gz BRCLFKQZDUTVIA-UHFFFAOYSA-N 0 0 436.566 4.501 50 0 IJAARN O=c1[nH]c(CSCc2cc(Cl)cc3c2OCOC3)nc2sc3c(c21)CCCC3 ZINC000009244604 569515110 /nfs/dbraw/zinc/51/51/10/569515110.db2.gz CJUMUPDVEKKSSK-UHFFFAOYSA-N 0 0 434.970 4.817 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)Nc1nnc(N3CCCC[C@@H]3C)s1)CCCC2 ZINC000009251163 569515813 /nfs/dbraw/zinc/51/58/13/569515813.db2.gz FQLXPMHZFLCKEC-LBPRGKRZSA-N 0 0 449.602 4.678 50 0 IJAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000009272590 569517932 /nfs/dbraw/zinc/51/79/32/569517932.db2.gz GNKNJZXDCQPZRJ-UHFFFAOYSA-N 0 0 428.488 4.782 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1OC ZINC000009282057 569518692 /nfs/dbraw/zinc/51/86/92/569518692.db2.gz OQXPGBHOXYXVTN-UHFFFAOYSA-N 0 0 434.536 4.829 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4nn(C)c(=O)c5ccccc54)cc3)sc2c1 ZINC000009284157 569519018 /nfs/dbraw/zinc/51/90/18/569519018.db2.gz FJLGZXSENTZNKD-UHFFFAOYSA-N 0 0 426.501 4.771 50 0 IJAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 ZINC000009284849 569519109 /nfs/dbraw/zinc/51/91/09/569519109.db2.gz RCFOHCNGJLNNNV-UHFFFAOYSA-N 0 0 426.517 4.581 50 0 IJAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000009284622 569519148 /nfs/dbraw/zinc/51/91/48/569519148.db2.gz RIKLJSXSNZXVAC-CYBMUJFWSA-N 0 0 444.509 4.525 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(OC)c3)c3ncnn32)cc1 ZINC000009288981 569519468 /nfs/dbraw/zinc/51/94/68/569519468.db2.gz RCRARKSCECOVDH-DNQXCXABSA-N 0 0 440.503 4.677 50 0 IJAARN CSc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000009292331 569519999 /nfs/dbraw/zinc/51/99/99/569519999.db2.gz VNKJAEUYKBMNEQ-XZOQPEGZSA-N 0 0 425.517 4.608 50 0 IJAARN Fc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000009293500 569520227 /nfs/dbraw/zinc/52/02/27/569520227.db2.gz OOAADACSUPZIMW-VXKWHMMOSA-N 0 0 431.858 4.678 50 0 IJAARN CC[C@@H](CO)Nc1nc(SC)nc2c3c4c(c(-c5ccco5)nc3sc21)CCC4 ZINC000009309165 569521587 /nfs/dbraw/zinc/52/15/87/569521587.db2.gz KGGGJABXEVOAPR-NSHDSACASA-N 0 0 426.567 4.893 50 0 IJAARN COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000009328030 569522808 /nfs/dbraw/zinc/52/28/08/569522808.db2.gz BSBNXGGUJLJJRK-UHFFFAOYSA-N 0 0 431.469 4.918 50 0 IJAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCO3)c1 ZINC000009328399 569522901 /nfs/dbraw/zinc/52/29/01/569522901.db2.gz YGODDFSBDNAKJZ-UHFFFAOYSA-N 0 0 429.428 4.718 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC3=NCCS3)cc12 ZINC000009335704 569523365 /nfs/dbraw/zinc/52/33/65/569523365.db2.gz HXGIMHGOGLBGEB-UHFFFAOYSA-N 0 0 425.366 4.594 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccccc3N3CCCC3)c(=O)c12 ZINC000009338560 569523651 /nfs/dbraw/zinc/52/36/51/569523651.db2.gz MMBMOLWQBMZUCR-UHFFFAOYSA-N 0 0 444.560 4.672 50 0 IJAARN O=C(CN1CCc2cc3c(cc2C1)OCCCO3)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009348209 569524471 /nfs/dbraw/zinc/52/44/71/569524471.db2.gz SNTFOHNRSANLNA-UHFFFAOYSA-N 0 0 440.849 4.517 50 0 IJAARN O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000009348816 569524545 /nfs/dbraw/zinc/52/45/45/569524545.db2.gz DVBUNZWJNIQWJF-GEBKJHSDSA-N 0 0 441.940 4.525 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(C)c1 ZINC000009365158 569526107 /nfs/dbraw/zinc/52/61/07/569526107.db2.gz HCXCZVATKCKPHL-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009365988 569526224 /nfs/dbraw/zinc/52/62/24/569526224.db2.gz KFTYQZHKQZQLEO-QRWLVFNGSA-N 0 0 438.622 4.940 50 0 IJAARN CCCC(=O)Nc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000009365932 569526231 /nfs/dbraw/zinc/52/62/31/569526231.db2.gz SJIAIDKYKGUBKL-UHFFFAOYSA-N 0 0 438.884 4.680 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)C1 ZINC000009367575 569526483 /nfs/dbraw/zinc/52/64/83/569526483.db2.gz JBEUKGUVIAUJGL-QZTJIDSGSA-N 0 0 448.588 4.857 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccccc2)c1 ZINC000009373259 569527000 /nfs/dbraw/zinc/52/70/00/569527000.db2.gz QHFCOQCDHYWXLB-DEOSSOPVSA-N 0 0 427.456 4.947 50 0 IJAARN C[C@H](NC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)C1CC1 ZINC000009377278 569527447 /nfs/dbraw/zinc/52/74/47/569527447.db2.gz LMPHYCAEINSMFY-NSHDSACASA-N 0 0 446.878 4.688 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1-c1ccc(C)cc1 ZINC000009379109 569527740 /nfs/dbraw/zinc/52/77/40/569527740.db2.gz JMPXBXGJSIFPNH-LJQANCHMSA-N 0 0 449.605 4.950 50 0 IJAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000009379717 569527764 /nfs/dbraw/zinc/52/77/64/569527764.db2.gz FPZZNWRGTJCUFP-DEOSSOPVSA-N 0 0 429.451 4.983 50 0 IJAARN Brc1ccc2nc(N3CCN(c4nc5ccccc5s4)CC3)sc2c1 ZINC000009381985 569528148 /nfs/dbraw/zinc/52/81/48/569528148.db2.gz VEXGABWUUFBYIG-UHFFFAOYSA-N 0 0 431.384 4.995 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1c[nH]c2ccccc21 ZINC000009382277 569528222 /nfs/dbraw/zinc/52/82/22/569528222.db2.gz PNOVBNVTDOWKAV-UHFFFAOYSA-N 0 0 431.443 4.713 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000009382278 569528242 /nfs/dbraw/zinc/52/82/42/569528242.db2.gz WDRPLICCQUXGAW-UHFFFAOYSA-N 0 0 431.443 4.713 50 0 IJAARN CC[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccc(OC)cc1 ZINC000009382871 569528319 /nfs/dbraw/zinc/52/83/19/569528319.db2.gz DOWJCVAHEGUJIT-CQSZACIVSA-N 0 0 426.567 4.591 50 0 IJAARN COc1ccc(-n2c(Cn3c4ccccc4sc3=O)nnc2SC2CCCC2)cc1 ZINC000009382875 569528363 /nfs/dbraw/zinc/52/83/63/569528363.db2.gz AURBBJUHCDOEOE-UHFFFAOYSA-N 0 0 438.578 4.735 50 0 IJAARN O=C(CSc1ccc2ccccc2c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009387689 569528522 /nfs/dbraw/zinc/52/85/22/569528522.db2.gz UTUXHERTFVAJRU-UHFFFAOYSA-N 0 0 448.544 4.538 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2cc1C ZINC000009388660 569528552 /nfs/dbraw/zinc/52/85/52/569528552.db2.gz SVWSTTBGLPEMHJ-AWEZNQCLSA-N 0 0 443.594 4.586 50 0 IJAARN CCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1C ZINC000009390743 569528776 /nfs/dbraw/zinc/52/87/76/569528776.db2.gz QZJGRMBCHUXPQX-UHFFFAOYSA-N 0 0 430.961 4.670 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc1C ZINC000009391203 569528915 /nfs/dbraw/zinc/52/89/15/569528915.db2.gz VBELTBXPYXQPOG-XMMPIXPASA-N 0 0 449.576 4.867 50 0 biogenic IJAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)N[C@@H]1CCCc2ccccc21 ZINC000009403875 569529563 /nfs/dbraw/zinc/52/95/63/569529563.db2.gz ISTHVTLNEIVNKA-JOCHJYFZSA-N 0 0 437.499 4.647 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000009404354 569529651 /nfs/dbraw/zinc/52/96/51/569529651.db2.gz WMDHQZJKZWTZEQ-JOCHJYFZSA-N 0 0 426.925 4.889 50 0 IJAARN Cc1ccc(Cn2c(=O)c3nccnc3nc2SCc2c(F)cccc2Cl)cc1 ZINC000009405376 569529868 /nfs/dbraw/zinc/52/98/68/569529868.db2.gz HGAWQUPUJJYHTQ-UHFFFAOYSA-N 0 0 426.904 4.628 50 0 IJAARN O=C(NCc1ccccc1Cl)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407725 569530302 /nfs/dbraw/zinc/53/03/02/569530302.db2.gz REUYBHCAONYWII-UHFFFAOYSA-N 0 0 438.357 4.939 50 0 IJAARN O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCC2)Nc1ccc(F)c(Cl)c1 ZINC000009407922 569530402 /nfs/dbraw/zinc/53/04/02/569530402.db2.gz DVGJGRFJAHPMCP-UHFFFAOYSA-N 0 0 431.870 4.549 50 0 IJAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009409055 569530800 /nfs/dbraw/zinc/53/08/00/569530800.db2.gz PPTVLHFOOINDAT-HXUWFJFHSA-N 0 0 432.307 4.671 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1 ZINC000009409063 569530806 /nfs/dbraw/zinc/53/08/06/569530806.db2.gz YWGJJLILRPLHJB-XMMPIXPASA-N 0 0 435.524 4.543 50 0 IJAARN O=S(=O)(c1nc(/C=C/c2ccc(F)cc2)oc1NCc1cccnc1)c1ccccc1 ZINC000009409500 569531067 /nfs/dbraw/zinc/53/10/67/569531067.db2.gz PRONAPHKYUSFIC-JLHYYAGUSA-N 0 0 435.480 4.824 50 0 IJAARN O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(=O)[nH]c(-c3ccccc3)nc2N1 ZINC000009410019 569531190 /nfs/dbraw/zinc/53/11/90/569531190.db2.gz QCBRPYZTAPSBDJ-HXUWFJFHSA-N 0 0 441.462 4.629 50 0 IJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000009412544 569531599 /nfs/dbraw/zinc/53/15/99/569531599.db2.gz UOPQLJODLAMWLA-XMMPIXPASA-N 0 0 439.515 4.762 50 0 IJAARN O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000009413873 569531882 /nfs/dbraw/zinc/53/18/82/569531882.db2.gz XJZJLUSGXZGWLV-PMERELPUSA-N 0 0 439.968 4.739 50 0 IJAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)cc(C)c4)nn32)cc1 ZINC000009415233 569532157 /nfs/dbraw/zinc/53/21/57/569532157.db2.gz VBXDZRYBUGXUHF-UHFFFAOYSA-N 0 0 433.537 4.538 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2NC1=O ZINC000009416013 569532285 /nfs/dbraw/zinc/53/22/85/569532285.db2.gz OPHURXPCPZRBEN-HNNXBMFYSA-N 0 0 425.444 4.980 50 0 IJAARN COc1cc(NC(=O)c2cccc(-n3cccc3)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009417407 569532379 /nfs/dbraw/zinc/53/23/79/569532379.db2.gz CZHXMBRJOPPTFD-UHFFFAOYSA-N 0 0 441.487 4.999 50 0 IJAARN COc1ccc(NC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)c(OC)c1 ZINC000009419097 569532492 /nfs/dbraw/zinc/53/24/92/569532492.db2.gz MYGVYQKDSRJKQD-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 IJAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c(C)c1 ZINC000009427633 569533346 /nfs/dbraw/zinc/53/33/46/569533346.db2.gz BNYHQLAPJQRTCA-UHFFFAOYSA-N 0 0 443.594 4.586 50 0 IJAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCc1ccccc1 ZINC000009441459 569535384 /nfs/dbraw/zinc/53/53/84/569535384.db2.gz ORRFPVFCOAFAGS-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN COc1ccc(CSc2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)s2)cc1 ZINC000009442271 569535486 /nfs/dbraw/zinc/53/54/86/569535486.db2.gz OUDGWNVDRFVYJW-AWEZNQCLSA-N 0 0 443.619 4.909 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000009443700 569535711 /nfs/dbraw/zinc/53/57/11/569535711.db2.gz IDALMECQXWUHPW-IBGZPJMESA-N 0 0 428.330 4.839 50 0 IJAARN Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cs1 ZINC000009446427 569535862 /nfs/dbraw/zinc/53/58/62/569535862.db2.gz QDEBKZUWHJKKCK-INIZCTEOSA-N 0 0 440.594 4.740 50 0 IJAARN Cc1cccc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000009450579 569536337 /nfs/dbraw/zinc/53/63/37/569536337.db2.gz UVMYPQKZGKCJAA-UHFFFAOYSA-N 0 0 438.936 4.885 50 0 IJAARN CC(C)c1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009451645 569536493 /nfs/dbraw/zinc/53/64/93/569536493.db2.gz JVXKOACRONVWMP-QHCPKHFHSA-N 0 0 443.609 4.528 50 0 IJAARN COCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 ZINC000009452516 569536510 /nfs/dbraw/zinc/53/65/10/569536510.db2.gz MEBBBMYOGZBENX-AWEZNQCLSA-N 0 0 448.951 4.812 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000009452606 569536515 /nfs/dbraw/zinc/53/65/15/569536515.db2.gz AYFACTFMGWILBI-UHFFFAOYSA-N 0 0 431.323 4.543 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000009453073 569536597 /nfs/dbraw/zinc/53/65/97/569536597.db2.gz LYFMFEPLLUHKJO-VWLOTQADSA-N 0 0 441.506 4.776 50 0 IJAARN C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009454045 569536644 /nfs/dbraw/zinc/53/66/44/569536644.db2.gz VUQQRLOPMVYMMA-LJQANCHMSA-N 0 0 430.504 4.798 50 0 IJAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@H](c2ccc(Br)cc2)C1 ZINC000009461211 569537013 /nfs/dbraw/zinc/53/70/13/569537013.db2.gz MBNAVTWMAPUPHJ-SFHVURJKSA-N 0 0 435.705 4.725 50 0 IJAARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000009464217 569537605 /nfs/dbraw/zinc/53/76/05/569537605.db2.gz FEHYDKIHIPFZBT-UHFFFAOYSA-N 0 0 435.524 4.854 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cccc4cccnc43)ccc2Cl)C1 ZINC000009464557 569537728 /nfs/dbraw/zinc/53/77/28/569537728.db2.gz ZZHOIZKMXIMOSZ-OAHLLOKOSA-N 0 0 443.956 4.561 50 0 IJAARN COc1cc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)ccc1OCc1ccccc1 ZINC000009464727 569537812 /nfs/dbraw/zinc/53/78/12/569537812.db2.gz BVJKIVMRTPJOFE-UHFFFAOYSA-N 0 0 429.472 4.653 50 0 IJAARN Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009466318 569538161 /nfs/dbraw/zinc/53/81/61/569538161.db2.gz DCAYNKPAQCXEQL-QGZVFWFLSA-N 0 0 449.605 4.684 50 0 IJAARN C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000009467285 569538348 /nfs/dbraw/zinc/53/83/48/569538348.db2.gz FNHGIHZGBWBQSX-YJBOKZPZSA-N 0 0 429.973 4.514 50 0 IJAARN COc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000009467578 569538427 /nfs/dbraw/zinc/53/84/27/569538427.db2.gz MHDPSVZAVWNYFZ-UHFFFAOYSA-N 0 0 446.528 4.830 50 0 IJAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cn1 ZINC000009467915 569538569 /nfs/dbraw/zinc/53/85/69/569538569.db2.gz XCXQFXCMFKRUOL-UHFFFAOYSA-N 0 0 426.700 4.568 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3-c3ccccc3)c2C)no1 ZINC000009469467 569538772 /nfs/dbraw/zinc/53/87/72/569538772.db2.gz REJHFHZQUNZQIN-UHFFFAOYSA-N 0 0 433.537 4.824 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)CC1 ZINC000009473355 569539048 /nfs/dbraw/zinc/53/90/48/569539048.db2.gz NPQDDJSMOKLLFY-UHFFFAOYSA-N 0 0 441.528 4.621 50 0 IJAARN CCc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)s1 ZINC000009476821 569539123 /nfs/dbraw/zinc/53/91/23/569539123.db2.gz JFOGPAGQWQXLHI-UHFFFAOYSA-N 0 0 442.566 4.736 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)c1 ZINC000009485732 569539581 /nfs/dbraw/zinc/53/95/81/569539581.db2.gz BUMIQGHPSADFNM-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 biogenic IJAARN COc1cc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc(OC)c1OC ZINC000009488397 569539874 /nfs/dbraw/zinc/53/98/74/569539874.db2.gz QHTFDWFVNAUYLD-UHFFFAOYSA-N 0 0 437.473 4.800 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000009491847 569540430 /nfs/dbraw/zinc/54/04/30/569540430.db2.gz AMFYCWGKRMUTQM-UHFFFAOYSA-N 0 0 438.578 4.845 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000009492021 569540523 /nfs/dbraw/zinc/54/05/23/569540523.db2.gz VRWYXTRXOBCLHU-UHFFFAOYSA-N 0 0 434.867 4.642 50 0 IJAARN O=S(=O)(c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2)nc1)N1CCCC1 ZINC000009492443 569540568 /nfs/dbraw/zinc/54/05/68/569540568.db2.gz FRYQJXCLILZLRN-UHFFFAOYSA-N 0 0 437.546 4.935 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1Br ZINC000009496004 569541133 /nfs/dbraw/zinc/54/11/33/569541133.db2.gz STSWNWPMSXBPDJ-SFHVURJKSA-N 0 0 430.277 4.790 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cccc(NC(=O)c3cccs3)c1)O[C@H](C)C2 ZINC000009497685 569541273 /nfs/dbraw/zinc/54/12/73/569541273.db2.gz JIRCNJHTDWGUKU-OAHLLOKOSA-N 0 0 436.533 4.653 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000009501775 569541694 /nfs/dbraw/zinc/54/16/94/569541694.db2.gz PLEFUGFEZDFOIS-UHFFFAOYSA-N 0 0 439.031 4.731 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N[C@H](C)C(C)C)nnc2-c2ccccc2)cc1Cl ZINC000009507820 569542107 /nfs/dbraw/zinc/54/21/07/569542107.db2.gz QKFFAMBGTGBOPZ-OAHLLOKOSA-N 0 0 444.988 4.849 50 0 IJAARN CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 ZINC000009507703 569542109 /nfs/dbraw/zinc/54/21/09/569542109.db2.gz VJWHCQGVLFHAOY-UHFFFAOYSA-N 0 0 445.734 4.872 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 ZINC000009508072 569542199 /nfs/dbraw/zinc/54/21/99/569542199.db2.gz GNSKIDAAGLEPNO-RDJZCZTQSA-N 0 0 428.583 4.613 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000009508076 569542200 /nfs/dbraw/zinc/54/22/00/569542200.db2.gz GNSKIDAAGLEPNO-DOTOQJQBSA-N 0 0 428.583 4.613 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2Cl)c1 ZINC000009508930 569542386 /nfs/dbraw/zinc/54/23/86/569542386.db2.gz PITKEZPYQUHZPN-UHFFFAOYSA-N 0 0 444.940 4.816 50 0 IJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 ZINC000009512395 569543005 /nfs/dbraw/zinc/54/30/05/569543005.db2.gz SLYNEJVYZDXFPV-HSZRJFAPSA-N 0 0 444.560 4.887 50 0 IJAARN CCc1ccccc1Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 ZINC000009512869 569543049 /nfs/dbraw/zinc/54/30/49/569543049.db2.gz AULQLNCEVDPADP-UHFFFAOYSA-N 0 0 428.587 4.887 50 0 IJAARN Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000009513470 569543081 /nfs/dbraw/zinc/54/30/81/569543081.db2.gz CBBZGAYJJTWGJJ-UHFFFAOYSA-N 0 0 449.605 4.509 50 0 IJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009514615 569543202 /nfs/dbraw/zinc/54/32/02/569543202.db2.gz IHROJHYYFGLCBZ-UHFFFAOYSA-N 0 0 434.588 4.712 50 0 IJAARN CCOc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000009517670 569543699 /nfs/dbraw/zinc/54/36/99/569543699.db2.gz QATFVLYZIMBPTO-UHFFFAOYSA-N 0 0 439.928 4.598 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F ZINC000009518470 569544080 /nfs/dbraw/zinc/54/40/80/569544080.db2.gz UUJORBFVCUYRLD-UHFFFAOYSA-N 0 0 436.370 4.944 50 0 IJAARN Cc1ccc(CSc2nnc(CCNC(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000009526158 569544486 /nfs/dbraw/zinc/54/44/86/569544486.db2.gz PXGWRPAWSYCSIH-UHFFFAOYSA-N 0 0 428.561 4.841 50 0 IJAARN COc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)c1 ZINC000009540775 569545825 /nfs/dbraw/zinc/54/58/25/569545825.db2.gz ZAJOCNYRAWQCLB-DEOSSOPVSA-N 0 0 440.503 4.548 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)Nc1c(C)nn(C)c1C)cc2-c1ccccc1 ZINC000009548558 569546493 /nfs/dbraw/zinc/54/64/93/569546493.db2.gz RFJLPSVQIUNUOY-UHFFFAOYSA-N 0 0 432.549 4.992 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009549286 569546619 /nfs/dbraw/zinc/54/66/19/569546619.db2.gz INUHRWVGJYZLFP-HXUWFJFHSA-N 0 0 449.576 4.620 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(C)cc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559010 569546913 /nfs/dbraw/zinc/54/69/13/569546913.db2.gz TUDMMUSRQCKXES-UHFFFAOYSA-N 0 0 426.538 4.615 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2C)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559069 569546929 /nfs/dbraw/zinc/54/69/29/569546929.db2.gz VEXMSEZUBCRJQH-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000009572504 569547836 /nfs/dbraw/zinc/54/78/36/569547836.db2.gz UVFLQUWKKGZEHC-UHFFFAOYSA-N 0 0 439.585 4.792 50 0 IJAARN C[C@@H](O)CNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(SC(F)F)cc2)n1 ZINC000009573564 569547903 /nfs/dbraw/zinc/54/79/03/569547903.db2.gz YVWNLOFYJFGGJR-CYBMUJFWSA-N 0 0 442.495 4.667 50 0 IJAARN Cc1cc(NC(=O)CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)no1 ZINC000009578189 569548285 /nfs/dbraw/zinc/54/82/85/569548285.db2.gz FSAUBYIHRCTDCQ-UHFFFAOYSA-N 0 0 441.513 4.742 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)cc1Cl ZINC000070635350 569548649 /nfs/dbraw/zinc/54/86/49/569548649.db2.gz CYLMJTYZFICMTD-UHFFFAOYSA-N 0 0 439.975 4.936 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1 ZINC000009580476 569548791 /nfs/dbraw/zinc/54/87/91/569548791.db2.gz AMFFRMMZRBLSRO-QZTJIDSGSA-N 0 0 444.557 4.740 50 0 IJAARN COC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1cccc(OC)c1 ZINC000009581969 569549169 /nfs/dbraw/zinc/54/91/69/569549169.db2.gz BFMOBEVHFGGSLX-SANMLTNESA-N 0 0 440.499 4.952 50 0 IJAARN Cc1ccc(-c2noc(CN(C(=O)COc3ccc(Br)cc3)C(C)C)n2)cc1 ZINC000009582076 569549204 /nfs/dbraw/zinc/54/92/04/569549204.db2.gz DULCALBPLCTHDH-UHFFFAOYSA-N 0 0 444.329 4.624 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 ZINC000009583506 569549282 /nfs/dbraw/zinc/54/92/82/569549282.db2.gz AUKRWYDMJDYCEH-UHFFFAOYSA-N 0 0 446.326 4.792 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009584859 569549438 /nfs/dbraw/zinc/54/94/38/569549438.db2.gz CRKLUSOWUAYBJS-UHFFFAOYSA-N 0 0 448.903 4.849 50 0 IJAARN Cc1ccc(CNC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000009586060 569549611 /nfs/dbraw/zinc/54/96/11/569549611.db2.gz XSPDEHQXUDYFDA-INIZCTEOSA-N 0 0 449.601 4.898 50 0 IJAARN O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000009588643 569549908 /nfs/dbraw/zinc/54/99/08/569549908.db2.gz LXNINWZPLFMCSD-UHFFFAOYSA-N 0 0 445.538 4.533 50 0 IJAARN COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009592299 569550297 /nfs/dbraw/zinc/55/02/97/569550297.db2.gz PMMGKBQRCGIFOZ-IBGZPJMESA-N 0 0 436.464 4.764 50 0 IJAARN Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccs4)n3C3CC3)sc2c1 ZINC000009593550 569550463 /nfs/dbraw/zinc/55/04/63/569550463.db2.gz GKYBUCBRXDGBNH-UHFFFAOYSA-N 0 0 441.607 4.914 50 0 IJAARN Cc1ccsc1CN(C)C(=O)Cn1c(C)nc2scc(-c3cccs3)c2c1=O ZINC000009594740 569550651 /nfs/dbraw/zinc/55/06/51/569550651.db2.gz ULVFNQPDSCYIHK-UHFFFAOYSA-N 0 0 429.592 4.523 50 0 IJAARN CC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000009595444 569550672 /nfs/dbraw/zinc/55/06/72/569550672.db2.gz PIFMBAGQWFWDND-UHFFFAOYSA-N 0 0 448.338 4.732 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1cccs1 ZINC000009597284 569550877 /nfs/dbraw/zinc/55/08/77/569550877.db2.gz XGMMICZSXDEGCS-KRWDZBQOSA-N 0 0 430.530 4.623 50 0 IJAARN COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)Nc4ccc(F)cc4)c(C)n3n2)c1 ZINC000009609116 569552248 /nfs/dbraw/zinc/55/22/48/569552248.db2.gz HIYCXBPNPOBOBQ-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1OC ZINC000009609256 569552296 /nfs/dbraw/zinc/55/22/96/569552296.db2.gz OEJFMVWDSXRWHB-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN Clc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2C[C@H]2CCCO2)cc1 ZINC000009609700 569552363 /nfs/dbraw/zinc/55/23/63/569552363.db2.gz PYAVHEUOHFIRSJ-OAHLLOKOSA-N 0 0 443.916 4.713 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1cn(Cc2ccccc2F)c2cc3c(cc2c1=O)OCCO3 ZINC000009610742 569552555 /nfs/dbraw/zinc/55/25/55/569552555.db2.gz SCIXGRPOMQRBBX-UHFFFAOYSA-N 0 0 449.865 4.845 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000009610720 569552599 /nfs/dbraw/zinc/55/25/99/569552599.db2.gz JWQGZGAXOZHFPN-UHFFFAOYSA-N 0 0 443.499 4.697 50 0 IJAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc(OC)c1OC ZINC000009612089 569552822 /nfs/dbraw/zinc/55/28/22/569552822.db2.gz ZBEGWGFMMWKXPN-OAQYLSRUSA-N 0 0 425.872 4.532 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)c1 ZINC000009612513 569552855 /nfs/dbraw/zinc/55/28/55/569552855.db2.gz KGHCWGVUOCZDEZ-UHFFFAOYSA-N 0 0 443.532 4.537 50 0 IJAARN COc1cccc(-n2c(=O)c3c4c(sc3n(Cc3cc(C)ccc3C)c2=O)CCCC4)c1 ZINC000009615343 569553175 /nfs/dbraw/zinc/55/31/75/569553175.db2.gz RBOSZYYPHMZJHX-UHFFFAOYSA-N 0 0 446.572 4.766 50 0 IJAARN COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 ZINC000009615893 569553237 /nfs/dbraw/zinc/55/32/37/569553237.db2.gz YHZKUIGGTLXOSF-AUUYWEPGSA-N 0 0 440.594 4.965 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cc2NC1=O ZINC000009619692 569553401 /nfs/dbraw/zinc/55/34/01/569553401.db2.gz KLUNZUBTCKTLBH-OAHLLOKOSA-N 0 0 444.516 4.632 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000009631850 569553851 /nfs/dbraw/zinc/55/38/51/569553851.db2.gz RFZMUTMMQMEACE-UHFFFAOYSA-N 0 0 434.561 4.632 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C(C)C)cc1 ZINC000009632911 569554134 /nfs/dbraw/zinc/55/41/34/569554134.db2.gz ZZJMXTMDESJCRU-UHFFFAOYSA-N 0 0 440.613 4.712 50 0 IJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2Cc2ccco2)c1 ZINC000009633895 569554368 /nfs/dbraw/zinc/55/43/68/569554368.db2.gz LNZVABLXVUVVJN-UHFFFAOYSA-N 0 0 433.489 4.599 50 0 IJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1ncc(-c2ccccc2)o1 ZINC000009634459 569554427 /nfs/dbraw/zinc/55/44/27/569554427.db2.gz NLVSHCNJMDJHFG-UHFFFAOYSA-N 0 0 426.881 4.683 50 0 IJAARN Cc1ccc(-c2nc3cc(=O)[nH]n3c(SCCOc3cc(C)ccc3C(C)C)n2)cc1 ZINC000009640681 569555437 /nfs/dbraw/zinc/55/54/37/569555437.db2.gz IVBGTZCVEPESDE-UHFFFAOYSA-N 0 0 434.565 4.996 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc4cccnc43)cc2)cc1 ZINC000009642059 569555817 /nfs/dbraw/zinc/55/58/17/569555817.db2.gz MACASVFSPUQDOQ-UHFFFAOYSA-N 0 0 427.460 4.513 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000009646093 569556222 /nfs/dbraw/zinc/55/62/22/569556222.db2.gz FTRIXNUOIZJZNX-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN COCCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1Cl ZINC000009647068 569556405 /nfs/dbraw/zinc/55/64/05/569556405.db2.gz DRGPHOZJJOGAJS-CQSZACIVSA-N 0 0 448.951 4.893 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 ZINC000009647742 569556457 /nfs/dbraw/zinc/55/64/57/569556457.db2.gz LWWVSSAQPVLFAW-KRWDZBQOSA-N 0 0 438.487 4.819 50 0 IJAARN CN(C)C(=O)[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 ZINC000009647819 569556502 /nfs/dbraw/zinc/55/65/02/569556502.db2.gz ASXKFHUQSGQHRF-FQEVSTJZSA-N 0 0 442.972 4.767 50 0 IJAARN Cc1ccc2c(COC(=O)COc3ccc(Cl)cc3Br)cc(=O)oc2c1 ZINC000009664835 569557485 /nfs/dbraw/zinc/55/74/85/569557485.db2.gz OBYLGSMPXOJACP-UHFFFAOYSA-N 0 0 437.673 4.640 50 0 IJAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000009665065 569557525 /nfs/dbraw/zinc/55/75/25/569557525.db2.gz UPIRTYMMWKDGOZ-LJQANCHMSA-N 0 0 443.576 4.916 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000009666121 569557715 /nfs/dbraw/zinc/55/77/15/569557715.db2.gz JAYWKNIPEJFECB-UHFFFAOYSA-N 0 0 438.336 4.503 50 0 IJAARN CCOc1ccc2nc(NC(=O)CSc3n[nH]c(-c4ccc(C)cc4)n3)sc2c1 ZINC000009669824 569558150 /nfs/dbraw/zinc/55/81/50/569558150.db2.gz TZKPSDSFZQRZPG-UHFFFAOYSA-N 0 0 425.539 4.519 50 0 IJAARN CCc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000009669833 569558184 /nfs/dbraw/zinc/55/81/84/569558184.db2.gz QOSHWACSQPEADV-LBPRGKRZSA-N 0 0 431.359 4.916 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000009670923 569558425 /nfs/dbraw/zinc/55/84/25/569558425.db2.gz UJPKDABMSIORMG-UHFFFAOYSA-N 0 0 444.560 4.597 50 0 IJAARN COc1cc(CN(C)C(=O)c2cncn2-c2ccccc2)ccc1OCc1ccccc1 ZINC000009672269 569558825 /nfs/dbraw/zinc/55/88/25/569558825.db2.gz ANAHSIHQTDXMLU-UHFFFAOYSA-N 0 0 427.504 4.732 50 0 IJAARN O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000009674101 569559061 /nfs/dbraw/zinc/55/90/61/569559061.db2.gz MOPSCTQKJFJFIF-GOSISDBHSA-N 0 0 445.947 4.924 50 0 IJAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(F)cc1F ZINC000009687737 569560834 /nfs/dbraw/zinc/56/08/34/569560834.db2.gz CHIJJHUMVFEIPW-UHFFFAOYSA-N 0 0 425.460 4.890 50 0 IJAARN COc1cc(OC)c(NC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)cc1Cl ZINC000009693050 569561141 /nfs/dbraw/zinc/56/11/41/569561141.db2.gz YCDSZQPIFPNETH-UHFFFAOYSA-N 0 0 428.897 4.676 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000009708335 569561927 /nfs/dbraw/zinc/56/19/27/569561927.db2.gz DTAPGFVVFHYJLZ-FQEVSTJZSA-N 0 0 439.968 4.569 50 0 IJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000009713832 569562680 /nfs/dbraw/zinc/56/26/80/569562680.db2.gz XRQKDHYJNWKZEU-UHFFFAOYSA-N 0 0 428.517 4.745 50 0 IJAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000009720719 569563323 /nfs/dbraw/zinc/56/33/23/569563323.db2.gz CKCFEFKKKYJUEU-KAECEXQPSA-N 0 0 433.570 4.975 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)c1nnc(-c2cccs2)o1 ZINC000009721366 569563387 /nfs/dbraw/zinc/56/33/87/569563387.db2.gz WCDMWYUZADGLKW-GFCCVEGCSA-N 0 0 426.571 4.921 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)NCc2cccn2Cc2c(C)cc(C)cc2C)cc1 ZINC000009723161 569563566 /nfs/dbraw/zinc/56/35/66/569563566.db2.gz UXQAJNCSFAISFD-UHFFFAOYSA-N 0 0 433.552 4.889 50 0 IJAARN CCOC(=O)CC1(NC(=O)NCc2cccn2Cc2ccc(Cl)cc2)CCCCC1 ZINC000009723630 569563586 /nfs/dbraw/zinc/56/35/86/569563586.db2.gz OPSATWAATVLUQC-UHFFFAOYSA-N 0 0 431.964 4.645 50 0 IJAARN CSCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 ZINC000009725800 569563804 /nfs/dbraw/zinc/56/38/04/569563804.db2.gz LOFUIKYAOZHLII-UHFFFAOYSA-N 0 0 448.610 4.654 50 0 IJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1cc2c(cc1Br)OCO2 ZINC000009727435 569563967 /nfs/dbraw/zinc/56/39/67/569563967.db2.gz JSCSMWINJWPMLB-UHFFFAOYSA-N 0 0 433.327 4.761 50 0 IJAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(N3CCCCCC3)cc2)c(C)c1 ZINC000009727407 569564021 /nfs/dbraw/zinc/56/40/21/569564021.db2.gz RYEBVCKAKQBCLB-UHFFFAOYSA-N 0 0 435.597 4.995 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)Nc3ccc(N4CCCC4)cc3)s2)c1 ZINC000009729129 569564216 /nfs/dbraw/zinc/56/42/16/569564216.db2.gz BQJJMSFUWFBLOO-UHFFFAOYSA-N 0 0 441.582 4.621 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 ZINC000009737779 569564817 /nfs/dbraw/zinc/56/48/17/569564817.db2.gz FSTZITMIMDTTQP-UHFFFAOYSA-N 0 0 427.892 4.581 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000009743829 569565553 /nfs/dbraw/zinc/56/55/53/569565553.db2.gz YYUAXKGIKMTYFW-UHFFFAOYSA-N 0 0 447.516 4.532 50 0 IJAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000009752237 569566092 /nfs/dbraw/zinc/56/60/92/569566092.db2.gz MWICMZMWTRMRRH-UHFFFAOYSA-N 0 0 443.912 4.555 50 0 IJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000009752770 569566140 /nfs/dbraw/zinc/56/61/40/569566140.db2.gz FSDZMAAGHQKUSS-UHFFFAOYSA-N 0 0 434.588 4.712 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)cc2)n1 ZINC000009765705 569566846 /nfs/dbraw/zinc/56/68/46/569566846.db2.gz KMGSIOOQVBMNGD-UHFFFAOYSA-N 0 0 443.532 4.750 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)n[nH]2)cc1 ZINC000009778432 569567268 /nfs/dbraw/zinc/56/72/68/569567268.db2.gz LPYDNEZDZICHKX-HXUWFJFHSA-N 0 0 438.553 4.979 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009783444 569567824 /nfs/dbraw/zinc/56/78/24/569567824.db2.gz YSGABIKEDJQOKI-QFIPXVFZSA-N 0 0 431.561 4.967 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCCC1 ZINC000009783602 569567860 /nfs/dbraw/zinc/56/78/60/569567860.db2.gz QOCGTXWBMAWEPH-UHFFFAOYSA-N 0 0 432.520 4.800 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(NCC(C)C)s2)o1 ZINC000009789261 569568077 /nfs/dbraw/zinc/56/80/77/569568077.db2.gz PKZYLGMEAZQLSB-UHFFFAOYSA-N 0 0 428.543 4.912 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(SC)c2)cc1 ZINC000009789748 569568183 /nfs/dbraw/zinc/56/81/83/569568183.db2.gz HMKDNIIXNXEIIL-UHFFFAOYSA-N 0 0 426.563 4.876 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)n1C1CC1 ZINC000009791460 569568225 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CCn1c(SCC(=O)Nc2ccc3[nH]c(C)nc3c2)nnc1-c1cc2ccccc2o1 ZINC000010006500 569576994 /nfs/dbraw/zinc/57/69/94/569576994.db2.gz QMNYSNDLTPONHV-UHFFFAOYSA-N 0 0 432.509 4.627 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000010007624 569577000 /nfs/dbraw/zinc/57/70/00/569577000.db2.gz HBHFJQOZDPDDAI-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 ZINC000010007615 569577022 /nfs/dbraw/zinc/57/70/22/569577022.db2.gz HNORDEWOPCVICX-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN O=C(CSc1nc2ccccc2o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000010140851 569578113 /nfs/dbraw/zinc/57/81/13/569578113.db2.gz BLAMHNOCGACQGF-UHFFFAOYSA-N 0 0 440.912 4.815 50 0 IJAARN Cc1cc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)ccc1Br ZINC000010187782 569578677 /nfs/dbraw/zinc/57/86/77/569578677.db2.gz JQGCLVMLDOGPQR-UHFFFAOYSA-N 0 0 431.717 4.873 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000010187794 569578715 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0 IJAARN Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337029 569581179 /nfs/dbraw/zinc/58/11/79/569581179.db2.gz UZCVFKYSSPHPOG-FGZHOGPDSA-N 0 0 428.883 4.590 50 0 IJAARN COc1cc(OC)cc(C(=O)N(CCCn2ccnc2)c2nc3ccc(C)cc3s2)c1 ZINC000010381563 569581625 /nfs/dbraw/zinc/58/16/25/569581625.db2.gz BQRMZLQVASJATJ-UHFFFAOYSA-N 0 0 436.537 4.556 50 0 IJAARN CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1 ZINC000010381587 569581690 /nfs/dbraw/zinc/58/16/90/569581690.db2.gz UAGQYHSWKVNDAC-UHFFFAOYSA-N 0 0 438.528 4.697 50 0 IJAARN COc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc(OC)c1OC ZINC000010509006 569582595 /nfs/dbraw/zinc/58/25/95/569582595.db2.gz ANVVGFVMGKNUTH-UHFFFAOYSA-N 0 0 436.468 4.550 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC(C)C)C2CC2)cc1C ZINC000036049441 569584118 /nfs/dbraw/zinc/58/41/18/569584118.db2.gz ICJMTBFFDNVYTD-UHFFFAOYSA-N 0 0 444.579 5.132 50 0 IJAARN CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)n(C(=O)c3ccncc3)n2)cc1 ZINC000575443574 569584555 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O=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000644218 193869201 /nfs/dbraw/zinc/86/92/01/193869201.db2.gz MAATZQMBXJYFQN-CYBMUJFWSA-N 0 0 427.715 4.808 50 0 IJAARN O=C(Nc1ccc(Br)cc1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3 ZINC000000651039 193872075 /nfs/dbraw/zinc/87/20/75/193872075.db2.gz KUYYHRDEFJHLKO-UHFFFAOYSA-N 0 0 439.235 4.642 50 0 IJAARN O=S(=O)(c1ccc2oc(Nc3ccc(Cc4ccncc4)cc3)nc2c1)N1CCCCC1 ZINC000006144356 193883597 /nfs/dbraw/zinc/88/35/97/193883597.db2.gz RCOAEVDZTJVGEK-UHFFFAOYSA-N 0 0 448.548 4.732 50 0 IJAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N(c1ccccc1)C1CCCCC1 ZINC000009846657 193905099 /nfs/dbraw/zinc/90/50/99/193905099.db2.gz ZWVRJHMOXTUZTL-GOSISDBHSA-N 0 0 432.615 4.587 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(C)cc32)cc1 ZINC000009847551 193906040 /nfs/dbraw/zinc/90/60/40/193906040.db2.gz IDEKIAFLQOKCCF-UHFFFAOYSA-N 0 0 431.513 4.924 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(OC)cc32)cc1 ZINC000009847553 193906091 /nfs/dbraw/zinc/90/60/91/193906091.db2.gz KVULNIGRZKSFRJ-UHFFFAOYSA-N 0 0 447.512 4.624 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(F)c3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000009859144 193910258 /nfs/dbraw/zinc/91/02/58/193910258.db2.gz BYWCEHSQMFDFDC-UHFFFAOYSA-N 0 0 443.446 4.608 50 0 IJAARN Clc1ccccc1-n1c(Cn2cnc3ccccc32)nnc1SC[C@@H]1CCCCO1 ZINC000051103448 193922580 /nfs/dbraw/zinc/92/25/80/193922580.db2.gz FRYDSBDAYKYJNX-INIZCTEOSA-N 0 0 439.972 4.980 50 0 IJAARN COc1ccc2[nH]cc([C@H](CC(=O)N3CCOCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275431 193951618 /nfs/dbraw/zinc/95/16/18/193951618.db2.gz BXKGRHRJOOTRND-GOSISDBHSA-N 0 0 432.442 4.576 50 0 IJAARN Cc1nn(C[C@H](O)CN2c3ccccc3Sc3ccccc32)c(C)c1Br ZINC000000706992 132229434 /nfs/dbraw/zinc/22/94/34/132229434.db2.gz GPGOSCYGHUNOLB-OAHLLOKOSA-N 0 0 430.371 4.926 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCCc2ccccc21 ZINC000000902415 132233765 /nfs/dbraw/zinc/23/37/65/132233765.db2.gz FELBJNIRDQVKSK-UHFFFAOYSA-N 0 0 441.556 4.516 50 0 IJAARN O=C(COC(=O)c1cncc(Br)c1)N1c2ccccc2Sc2ccccc21 ZINC000009691308 132236843 /nfs/dbraw/zinc/23/68/43/132236843.db2.gz BFCREJQSOOLNSR-UHFFFAOYSA-N 0 0 441.306 4.830 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4c(F)cccc4F)cc32)cc1 ZINC000009738537 132240321 /nfs/dbraw/zinc/24/03/21/132240321.db2.gz FFGYCOWEIZCZDS-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(C(=O)OC)cc1)C(=O)C2 ZINC000001322055 132241639 /nfs/dbraw/zinc/24/16/39/132241639.db2.gz BJYKXJKFHSUOAZ-AREMUKBSSA-N 0 0 445.515 4.949 50 0 biogenic IJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000009951919 132242506 /nfs/dbraw/zinc/24/25/06/132242506.db2.gz YNJJXSGNGRVMOR-UHFFFAOYSA-N 0 0 447.608 4.925 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010220758 132243765 /nfs/dbraw/zinc/24/37/65/132243765.db2.gz DWKHUCKQLYLISC-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN COc1ccccc1N1C(=S)N[C@@H](c2cccc(C)c2)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010355084 132247058 /nfs/dbraw/zinc/24/70/58/132247058.db2.gz PKODQAWUDXBEBS-QFIPXVFZSA-N 0 0 448.548 4.649 50 0 IJAARN COc1ccccc1C(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc32)CC1 ZINC000002849096 132257615 /nfs/dbraw/zinc/25/76/15/132257615.db2.gz BOEMGLZDFUAUAR-UHFFFAOYSA-N 0 0 438.531 4.576 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CN1c2ccccc2O/C(=C/c2ccccc2)C1=O ZINC000003058056 132261288 /nfs/dbraw/zinc/26/12/88/132261288.db2.gz WSNYQKWVJJZUAJ-HBTCSRNFSA-N 0 0 426.516 4.591 50 0 IJAARN O=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003217382 132262258 /nfs/dbraw/zinc/26/22/58/132262258.db2.gz NIAONMDQQWNERG-UHFFFAOYSA-N 0 0 430.533 4.690 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 ZINC000003340308 132264338 /nfs/dbraw/zinc/26/43/38/132264338.db2.gz SWYHIRLCYSTANG-UHFFFAOYSA-N 0 0 431.964 4.533 50 0 IJAARN C[C@@H](C(=O)NC1CCCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000005022110 132274889 /nfs/dbraw/zinc/27/48/89/132274889.db2.gz DRUIUQOXDMYHIK-ZHRRBRCNSA-N 0 0 426.557 4.918 50 0 IJAARN CCC(=O)N1CCN(c2nc(-c3ccccc3)nc(CC)c2Cc2cccc(C)c2)CC1 ZINC000006776910 132278980 /nfs/dbraw/zinc/27/89/80/132278980.db2.gz YTRFXINRGSSCGH-UHFFFAOYSA-N 0 0 428.580 4.664 50 0 IJAARN Cc1ccc(N2CCN(C(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c(C)c1 ZINC000008595822 132284834 /nfs/dbraw/zinc/28/48/34/132284834.db2.gz SARTZHXYLXSTGL-UHFFFAOYSA-N 0 0 432.568 4.628 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)c1nsc2ccccc21 ZINC000008599415 132285872 /nfs/dbraw/zinc/28/58/72/132285872.db2.gz MNOKULKGPVACHS-UHFFFAOYSA-N 0 0 442.544 4.511 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3C(F)(F)F)CC2)cc1F ZINC000008599943 132286147 /nfs/dbraw/zinc/28/61/47/132286147.db2.gz DYQJCXHXNUJPTP-UHFFFAOYSA-N 0 0 432.421 4.951 50 0 IJAARN COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)c1 ZINC000008604315 132286771 /nfs/dbraw/zinc/28/67/71/132286771.db2.gz ZXQOPYNKSOFYLQ-UHFFFAOYSA-N 0 0 448.588 4.789 50 0 biogenic IJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000008707683 132291142 /nfs/dbraw/zinc/29/11/42/132291142.db2.gz ACZFKVALEZQFNL-RUZDIDTESA-N 0 0 427.548 4.657 50 0 IJAARN Cc1ccc(-c2nc(C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)cs2)cc1 ZINC000008965663 132298938 /nfs/dbraw/zinc/29/89/38/132298938.db2.gz WXVZYBVEQQNBQJ-QFIPXVFZSA-N 0 0 447.560 4.539 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)CC2)c1 ZINC000009117190 132304233 /nfs/dbraw/zinc/30/42/33/132304233.db2.gz VRMFPALDBJLPGS-UHFFFAOYSA-N 0 0 446.570 4.995 50 0 IJAARN CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009130065 132305762 /nfs/dbraw/zinc/30/57/62/132305762.db2.gz OIHVAYVGZFNVSN-AREMUKBSSA-N 0 0 444.531 4.832 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(F)c(F)c1 ZINC000009250421 132310870 /nfs/dbraw/zinc/31/08/70/132310870.db2.gz WOEGDKCZHWEHHN-UHFFFAOYSA-N 0 0 442.487 4.903 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000009252138 132311119 /nfs/dbraw/zinc/31/11/19/132311119.db2.gz QKZYTZVFFJEMJI-UHFFFAOYSA-N 0 0 425.941 4.872 50 0 IJAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1 ZINC000009366363 132314509 /nfs/dbraw/zinc/31/45/09/132314509.db2.gz HFYQOHIGVAZRGW-UHFFFAOYSA-N 0 0 446.501 4.790 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)Nc3ccccc3Cl)CC1)C[C@@H](C)O2 ZINC000009405913 132315270 /nfs/dbraw/zinc/31/52/70/132315270.db2.gz CPWSMWASQYUOPE-MRXNPFEDSA-N 0 0 427.932 4.706 50 0 IJAARN O=C(Nc1ccccc1O)C1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000009504179 132319691 /nfs/dbraw/zinc/31/96/91/132319691.db2.gz IPBOXCBFPFYOJY-UHFFFAOYSA-N 0 0 430.533 4.919 50 0 IJAARN Cc1cc(N2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)nc(C(C)C)n1 ZINC000009549164 132321344 /nfs/dbraw/zinc/32/13/44/132321344.db2.gz XCPDSKBEMNCBRD-UHFFFAOYSA-N 0 0 432.597 4.607 50 0 IJAARN Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)sc3c2c1 ZINC000009611180 132323447 /nfs/dbraw/zinc/32/34/47/132323447.db2.gz SOWZGHOELWPULM-UHFFFAOYSA-N 0 0 432.545 4.895 50 0 IJAARN CCn1c2ccccc2c2sc(C(=O)N3CCN(c4ccc(C)cc4)[C@H](C)C3)cc2c1=O ZINC000009611109 132323487 /nfs/dbraw/zinc/32/34/87/132323487.db2.gz CRSDTJRXCXZYIX-GOSISDBHSA-N 0 0 445.588 4.895 50 0 IJAARN C[C@H](C(=O)NCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000009692869 132326126 /nfs/dbraw/zinc/32/61/26/132326126.db2.gz WWGLUWZJICCSGO-GAJHUEQPSA-N 0 0 434.536 4.786 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009716520 132327243 /nfs/dbraw/zinc/32/72/43/132327243.db2.gz SOQCRKUSKDUCNQ-UHFFFAOYSA-N 0 0 430.533 4.690 50 0 IJAARN Cc1ccc(CNC(=O)CCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1 ZINC000009776905 132328710 /nfs/dbraw/zinc/32/87/10/132328710.db2.gz XBKZYNGLQJUXBA-UHFFFAOYSA-N 0 0 444.579 4.877 50 0 IJAARN Cc1ccc([C@H]2CC(=O)c3c(C)nc(N4CCN(c5cccc(Cl)c5)CC4)nc3C2)cc1 ZINC000010076162 132334548 /nfs/dbraw/zinc/33/45/48/132334548.db2.gz JSDNHFANFXSXJN-HXUWFJFHSA-N 0 0 446.982 4.986 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3)[C@H]2c2ccccc2OC)cc1 ZINC000013119974 132345241 /nfs/dbraw/zinc/34/52/41/132345241.db2.gz ANNBJBDAUUOBHP-RCZVLFRGSA-N 0 0 430.504 4.827 50 0 IJAARN COc1ccc(OC)c(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000013610224 132351627 /nfs/dbraw/zinc/35/16/27/132351627.db2.gz YZVAYKWOIHNHKV-UHFFFAOYSA-N 0 0 433.512 4.795 50 0 IJAARN Cn1c(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)nnc1-c1ccccc1 ZINC000014184895 132356483 /nfs/dbraw/zinc/35/64/83/132356483.db2.gz RROVXEQCQXDUKP-OAQYLSRUSA-N 0 0 442.544 4.741 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1C ZINC000012258575 518222712 /nfs/dbraw/zinc/22/27/12/518222712.db2.gz CLMYCPKWCBLPFX-UHFFFAOYSA-N 0 0 428.872 4.501 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(-c4ccc(Cl)cc4)nc3C)CC2)cc1 ZINC000012556365 518348589 /nfs/dbraw/zinc/34/85/89/518348589.db2.gz BQIXKQAFZVBGCC-UHFFFAOYSA-N 0 0 439.968 4.937 50 0 IJAARN CC(=O)c1ccccc1OCCSc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 ZINC000012159749 518475226 /nfs/dbraw/zinc/47/52/26/518475226.db2.gz KSYMMHJSNKMNGR-QGZVFWFLSA-N 0 0 440.569 4.529 50 0 IJAARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 ZINC000012924840 518800310 /nfs/dbraw/zinc/80/03/10/518800310.db2.gz UKFRFQAWXTULAC-UHFFFAOYSA-N 0 0 437.512 4.598 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000001064717 519377896 /nfs/dbraw/zinc/37/78/96/519377896.db2.gz XMPALINWQXJDPF-UHFFFAOYSA-N 0 0 442.865 4.992 50 0 IJAARN CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc21 ZINC000012562231 519632963 /nfs/dbraw/zinc/63/29/63/519632963.db2.gz WTCDLDLDAUVURR-LLVKDONJSA-N 0 0 425.838 4.707 50 0 IJAARN CC(C)CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000012867997 519644109 /nfs/dbraw/zinc/64/41/09/519644109.db2.gz LVZNFDFZAWKPME-YLJYHZDGSA-N 0 0 448.608 4.686 50 0 IJAARN CC(C)CCC[C@H](C)NC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000012609724 519647902 /nfs/dbraw/zinc/64/79/02/519647902.db2.gz PHVGFHQSOKLTKU-HNNXBMFYSA-N 0 0 440.009 4.766 50 0 IJAARN CC(C)CCN1C(=O)CSc2c(c3ccccc3n2C)[C@H]1C(=O)NCc1ccccc1 ZINC000021911980 519652368 /nfs/dbraw/zinc/65/23/68/519652368.db2.gz VFKOQWMDGTXXBC-QHCPKHFHSA-N 0 0 435.593 4.516 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021863419 519653204 /nfs/dbraw/zinc/65/32/04/519653204.db2.gz BCZDAJZTKGWHFC-BRVOVERQSA-N 0 0 425.573 4.704 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000021858325 519659928 /nfs/dbraw/zinc/65/99/28/519659928.db2.gz MSDDPYIJOZIHPI-RUZDIDTESA-N 0 0 437.971 4.872 50 0 IJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCc3c(C)noc3C)c3cc(C)ccc3n2)cc1 ZINC000033106390 519708023 /nfs/dbraw/zinc/70/80/23/519708023.db2.gz LVQJRTJQFOLXKE-UHFFFAOYSA-N 0 0 442.519 4.746 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 ZINC000012468518 519762177 /nfs/dbraw/zinc/76/21/77/519762177.db2.gz SFCHZMLCEOMTIH-QFIPXVFZSA-N 0 0 425.916 4.796 50 0 IJAARN CC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000012382803 519782576 /nfs/dbraw/zinc/78/25/76/519782576.db2.gz KNWHFTSRPLVBNE-UHFFFAOYSA-N 0 0 443.547 4.689 50 0 IJAARN CC(C)[C@@H](NC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccc2c(c1)OCCO2 ZINC000012848262 519797211 /nfs/dbraw/zinc/79/72/11/519797211.db2.gz YOBLJCGFRIVZMJ-AREMUKBSSA-N 0 0 435.520 4.975 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccs1 ZINC000012581380 519798213 /nfs/dbraw/zinc/79/82/13/519798213.db2.gz KHFMPMRQGAYOOL-LJQANCHMSA-N 0 0 441.018 4.703 50 0 IJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000034887495 519803255 /nfs/dbraw/zinc/80/32/55/519803255.db2.gz UVEBXGYMPQSVNE-JTDSTZFVSA-N 0 0 428.495 4.580 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000035398470 519836058 /nfs/dbraw/zinc/83/60/58/519836058.db2.gz CHEXTSCNXPRFKJ-UHFFFAOYSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)c1ccc(N(Cc2cccc(Cl)c2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000020867381 519836703 /nfs/dbraw/zinc/83/67/03/519836703.db2.gz VXXNGHGTNBIYHR-VQTJNVASSA-N 0 0 435.014 4.738 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399319 519838458 /nfs/dbraw/zinc/83/84/58/519838458.db2.gz DTAGDKQEZDMKPJ-UHFFFAOYSA-N 0 0 439.556 4.845 50 0 biogenic IJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1 ZINC000011906474 519838861 /nfs/dbraw/zinc/83/88/61/519838861.db2.gz YPZSNVMFHWLHGX-UHFFFAOYSA-N 0 0 435.549 4.599 50 0 IJAARN CCCC(=O)N(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1 ZINC000035753798 519862296 /nfs/dbraw/zinc/86/22/96/519862296.db2.gz SXSYDCDLTFTISM-UHFFFAOYSA-N 0 0 449.595 4.787 50 0 IJAARN CCCC(=O)Nc1ccc(-c2csc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 ZINC000012922777 519877506 /nfs/dbraw/zinc/87/75/06/519877506.db2.gz FLUFGTDBVJHRFC-XMMPIXPASA-N 0 0 449.532 4.659 50 0 IJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C[C@@H]1CCCO1)C(=O)c1ccccc1 ZINC000035972254 519881641 /nfs/dbraw/zinc/88/16/41/519881641.db2.gz OSIXRYSSXWUVFP-QHCPKHFHSA-N 0 0 446.595 4.883 50 0 IJAARN CC(C)n1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000012760325 519923357 /nfs/dbraw/zinc/92/33/57/519923357.db2.gz DEYOTINVZKJZQI-IBGZPJMESA-N 0 0 439.606 4.640 50 0 IJAARN CCN(C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)C1CCCCC1 ZINC000022534050 520101790 /nfs/dbraw/zinc/10/17/90/520101790.db2.gz VIRMWIAUSUBQSM-SFHVURJKSA-N 0 0 426.582 4.621 50 0 IJAARN CC(CNC(=O)CCc1nc(Cc2ccccc2)no1)(c1ccccc1)c1ccccc1 ZINC000040131868 520149895 /nfs/dbraw/zinc/14/98/95/520149895.db2.gz JEWNTGIVQZJCGZ-UHFFFAOYSA-N 0 0 425.532 4.715 50 0 IJAARN CCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000015838628 520224820 /nfs/dbraw/zinc/22/48/20/520224820.db2.gz LNKLVLPLMLVBLR-UHFFFAOYSA-N 0 0 428.282 4.944 50 0 IJAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012568337 520319362 /nfs/dbraw/zinc/31/93/62/520319362.db2.gz REBZWAXYVFBZNP-UHFFFAOYSA-N 0 0 438.959 4.570 50 0 IJAARN CCCOc1ccc(NC(=O)NCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OCCC ZINC000012930291 520392305 /nfs/dbraw/zinc/39/23/05/520392305.db2.gz KGHDUDLWGPSHOH-MRXNPFEDSA-N 0 0 447.963 4.917 50 0 IJAARN CCCOc1ccccc1OCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000012757912 520483801 /nfs/dbraw/zinc/48/38/01/520483801.db2.gz ZWRMEKKKGIJVOQ-UHFFFAOYSA-N 0 0 444.329 4.500 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000035848289 520494272 /nfs/dbraw/zinc/49/42/72/520494272.db2.gz QRZCUEYFOAAXOL-UHFFFAOYSA-N 0 0 425.341 4.795 50 0 IJAARN CC1(C)C[C@@H](C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)CCO1 ZINC000012039923 520514599 /nfs/dbraw/zinc/51/45/99/520514599.db2.gz SCFCFCACASFSRQ-DLBZAZTESA-N 0 0 433.470 4.997 50 0 IJAARN CCCCN(Cc1ccccc1)C(=O)CC[C@]1(Cc2cc(OC)ccc2F)CCC(=O)N1 ZINC000012098487 520543711 /nfs/dbraw/zinc/54/37/11/520543711.db2.gz RWHCDQSSQPJTGZ-SANMLTNESA-N 0 0 440.559 4.635 50 0 IJAARN CCCSCCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021526357 520562013 /nfs/dbraw/zinc/56/20/13/520562013.db2.gz HFPJWIIVZVEDFN-XCNDVJPKSA-N 0 0 445.629 4.677 50 0 IJAARN CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)N[C@H](C)c2ccccc2Cl)c1=O ZINC000012282404 520564067 /nfs/dbraw/zinc/56/40/67/520564067.db2.gz ZUOBXRZXBFUVOM-MRXNPFEDSA-N 0 0 443.975 4.590 50 0 IJAARN CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000012747513 520574269 /nfs/dbraw/zinc/57/42/69/520574269.db2.gz XNHVJXTVUDWHHK-LJQANCHMSA-N 0 0 431.467 4.561 50 0 IJAARN CCCCNC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035867618 520635050 /nfs/dbraw/zinc/63/50/50/520635050.db2.gz MOBDVPRQSXNRDD-KRWDZBQOSA-N 0 0 443.661 4.790 50 0 IJAARN CCOC(=O)CCCSc1nnc(-c2cc(OC)cc(OC)c2)n1C1CCCCC1 ZINC000035847543 520662030 /nfs/dbraw/zinc/66/20/30/520662030.db2.gz QDOAEVQKFJDIFD-UHFFFAOYSA-N 0 0 433.574 4.903 50 0 IJAARN CCOC(=O)CCCSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 ZINC000035127959 520662930 /nfs/dbraw/zinc/66/29/30/520662930.db2.gz JLIJQOOPMJEMKQ-UHFFFAOYSA-N 0 0 425.432 4.982 50 0 IJAARN CCOc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(OCC)c1OCC ZINC000012622480 520672680 /nfs/dbraw/zinc/67/26/80/520672680.db2.gz MLDNOAOQFHXENE-UHFFFAOYSA-N 0 0 443.540 4.976 50 0 IJAARN CCOc1cc(C=O)ccc1Oc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl ZINC000012394247 520692163 /nfs/dbraw/zinc/69/21/63/520692163.db2.gz ZBXYZQLIHSSXOQ-UHFFFAOYSA-N 0 0 438.789 4.908 50 0 IJAARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1CC ZINC000003000035 520743500 /nfs/dbraw/zinc/74/35/00/520743500.db2.gz UWSCVWQEPQAQJU-HXUWFJFHSA-N 0 0 437.492 4.664 50 0 IJAARN CCOC(=O)CNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000021889571 520784595 /nfs/dbraw/zinc/78/45/95/520784595.db2.gz MPWWOTNMDPHSRD-RUZDIDTESA-N 0 0 431.536 4.778 50 0 IJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)cc1Br)O[C@@H](C)C2 ZINC000012739801 520796763 /nfs/dbraw/zinc/79/67/63/520796763.db2.gz PSVMIFDKJVJPAK-KBPBESRZSA-N 0 0 433.346 4.919 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)c4ccc(OC)c(OC)c4)nccn3n2)cc1 ZINC000035462653 520809280 /nfs/dbraw/zinc/80/92/80/520809280.db2.gz WGRZDVCQUUMTLT-UHFFFAOYSA-N 0 0 449.532 4.787 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OCC ZINC000016753016 520829641 /nfs/dbraw/zinc/82/96/41/520829641.db2.gz WXRXTXCPBUORRE-MRXNPFEDSA-N 0 0 425.485 4.557 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2nnc(S[C@H](CCC)C(=O)OCC)s2)cc1 ZINC000035924533 520872227 /nfs/dbraw/zinc/87/22/27/520872227.db2.gz YOCPHTDWVDFRDP-MRXNPFEDSA-N 0 0 437.587 4.793 50 0 IJAARN CCCCOc1ccc(CNC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)cc1 ZINC000033009144 520878220 /nfs/dbraw/zinc/87/82/20/520878220.db2.gz BNLVJALZZANOGU-UHFFFAOYSA-N 0 0 435.549 4.635 50 0 IJAARN CCOc1ccc(C(=O)CSc2nc3sc(C)cc3c(=O)n2Cc2ccco2)cc1 ZINC000012583924 520888918 /nfs/dbraw/zinc/88/89/18/520888918.db2.gz XCMADIDKNJGCLR-UHFFFAOYSA-N 0 0 440.546 4.781 50 0 IJAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1cccc(OC(F)F)c1)cc2C(F)(F)F ZINC000020604916 520920410 /nfs/dbraw/zinc/92/04/10/520920410.db2.gz LBXMEWOFAUNEQF-UHFFFAOYSA-N 0 0 429.345 4.590 50 0 IJAARN CCOC(=O)N1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc32)CC1 ZINC000012914417 520961923 /nfs/dbraw/zinc/96/19/23/520961923.db2.gz CXXSPWIUYBYANU-UHFFFAOYSA-N 0 0 445.548 4.699 50 0 IJAARN CCOc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000020903086 520966766 /nfs/dbraw/zinc/96/67/66/520966766.db2.gz YNYLEIVUPCNYRO-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN CCCC[C@@H](CC)C(=O)Nc1ccc([C@H]2NC(=S)N(CC)C(CC)=C2C(=O)OC)cc1 ZINC000035729586 521019568 /nfs/dbraw/zinc/01/95/68/521019568.db2.gz WKPPEIBDUWUJHX-IIBYNOLFSA-N 0 0 445.629 4.930 50 0 IJAARN CCOc1ccc(NC(=O)CC2(CC3=NS(=O)(=O)c4ccccc4N3)CCCC2)cc1 ZINC000021117412 521052952 /nfs/dbraw/zinc/05/29/52/521052952.db2.gz KLEBBMLGWQWLSW-UHFFFAOYSA-N 0 0 441.553 4.577 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)cc1 ZINC000020559349 521069992 /nfs/dbraw/zinc/06/99/92/521069992.db2.gz BNPPUGGRMOQKIJ-HXUWFJFHSA-N 0 0 443.931 4.561 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)CC(C)C ZINC000036051550 521087326 /nfs/dbraw/zinc/08/73/26/521087326.db2.gz SURJFKWETTUTLF-UHFFFAOYSA-N 0 0 436.531 4.820 50 0 IJAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000035976682 521089944 /nfs/dbraw/zinc/08/99/44/521089944.db2.gz GVSIAYXWLVZCIZ-NRFANRHFSA-N 0 0 449.551 4.899 50 0 IJAARN CCC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000035980084 521090014 /nfs/dbraw/zinc/09/00/14/521090014.db2.gz PLIBDWJBENXBEI-UHFFFAOYSA-N 0 0 425.504 4.751 50 0 IJAARN CCC(=O)N1c2ccccc2[C@]2(SCC(=O)N2c2ccc3c(c2)oc2ccccc23)C1=O ZINC000012418302 521169307 /nfs/dbraw/zinc/16/93/07/521169307.db2.gz WUPLRQAVFZBSBM-VWLOTQADSA-N 0 0 442.496 4.802 50 0 IJAARN CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002319605 521225680 /nfs/dbraw/zinc/22/56/80/521225680.db2.gz XLQUTXAXXDCQCU-DQEYMECFSA-N 0 0 440.543 4.942 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936367 521254208 /nfs/dbraw/zinc/25/42/08/521254208.db2.gz YQGCIELQCIHSNI-SCLBCKFNSA-N 0 0 440.956 4.859 50 0 IJAARN CCCCc1[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nc1C ZINC000012410916 521258311 /nfs/dbraw/zinc/25/83/11/521258311.db2.gz AMJDVYXCTONVBD-UHFFFAOYSA-N 0 0 435.615 4.909 50 0 IJAARN CCOc1ccc([C@H](CC(=O)Nc2ccc(C)cn2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530592 521261798 /nfs/dbraw/zinc/26/17/98/521261798.db2.gz OFALYURSCFLXRE-NRFANRHFSA-N 0 0 445.519 4.523 50 0 IJAARN CCOc1ccc([C@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998246 521273461 /nfs/dbraw/zinc/27/34/61/521273461.db2.gz KPMUHLNKVAFHCC-HXUWFJFHSA-N 0 0 442.928 4.757 50 0 IJAARN CCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccccc1Cl ZINC000036012423 521282632 /nfs/dbraw/zinc/28/26/32/521282632.db2.gz SFUIFWQUUWMLKZ-UHFFFAOYSA-N 0 0 430.888 4.683 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3c(F)cccc3F)sc2c1 ZINC000021661279 521296694 /nfs/dbraw/zinc/29/66/94/521296694.db2.gz KSZALJNADXYOHX-ZDUSSCGKSA-N 0 0 440.475 4.941 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3OC)sc2c1 ZINC000033271674 521298317 /nfs/dbraw/zinc/29/83/17/521298317.db2.gz XEXYZCZPLRYICZ-MRXNPFEDSA-N 0 0 434.521 4.672 50 0 IJAARN CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000012918938 521350235 /nfs/dbraw/zinc/35/02/35/521350235.db2.gz WQMVVRARWZENJF-FQEVSTJZSA-N 0 0 448.538 4.888 50 0 IJAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000012575195 521356434 /nfs/dbraw/zinc/35/64/34/521356434.db2.gz OZLWRIWPQUTJGX-DEOSSOPVSA-N 0 0 442.943 4.963 50 0 IJAARN CCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccco1 ZINC000012323243 521358923 /nfs/dbraw/zinc/35/89/23/521358923.db2.gz UUYAKLNJHNDUNC-UHFFFAOYSA-N 0 0 430.526 4.592 50 0 IJAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000009749478 521360057 /nfs/dbraw/zinc/36/00/57/521360057.db2.gz PREROCMYLMMHKS-UHFFFAOYSA-N 0 0 443.475 4.952 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCC(C)C)C(=O)c2ccc(OC)cc2)c1C ZINC000036003693 521362507 /nfs/dbraw/zinc/36/25/07/521362507.db2.gz VWKJYAKDVUIJKA-GOSISDBHSA-N 0 0 442.556 4.577 50 0 IJAARN CCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000022647435 521363405 /nfs/dbraw/zinc/36/34/05/521363405.db2.gz XKWQNYYZOOXLFR-UHFFFAOYSA-N 0 0 438.355 4.796 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2nncn3c4ccsc4cc23)cc1 ZINC000020510675 521510749 /nfs/dbraw/zinc/51/07/49/521510749.db2.gz QXNDBKYQEBDTGQ-KRWDZBQOSA-N 0 0 440.550 4.630 50 0 IJAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1ccco1 ZINC000035808190 521533632 /nfs/dbraw/zinc/53/36/32/521533632.db2.gz OHNHAHDTHVEODU-UHFFFAOYSA-N 0 0 428.529 4.870 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1)C(=O)Nc1cccc(C)c1 ZINC000035471569 521540608 /nfs/dbraw/zinc/54/06/08/521540608.db2.gz CYUOORKWAZDKHX-RUZDIDTESA-N 0 0 448.542 4.811 50 0 IJAARN CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)/C=C/c1ccccc1 ZINC000033601194 521540690 /nfs/dbraw/zinc/54/06/90/521540690.db2.gz QGSPOZYSCWZFRP-RTHBMQBDSA-N 0 0 445.538 4.511 50 0 IJAARN CCOc1ccccc1NC(=O)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948889 521542730 /nfs/dbraw/zinc/54/27/30/521542730.db2.gz BSUWVNHTJJARAD-HXUWFJFHSA-N 0 0 436.483 4.929 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012750441 521543710 /nfs/dbraw/zinc/54/37/10/521543710.db2.gz MZCHJNXYJNUAFQ-DFBJGRDBSA-N 0 0 441.535 4.697 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000020445829 521573151 /nfs/dbraw/zinc/57/31/51/521573151.db2.gz OERDQORNCQQOCY-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN CCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385574 521600725 /nfs/dbraw/zinc/60/07/25/521600725.db2.gz PBLWFBJVGYMVOB-UHFFFAOYSA-N 0 0 428.492 4.902 50 0 IJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cccc(F)c3)cc2c1C ZINC000021150929 521608755 /nfs/dbraw/zinc/60/87/55/521608755.db2.gz DRRLOTAWFBRSBS-IBGZPJMESA-N 0 0 431.485 4.583 50 0 IJAARN CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)Cc2ccccc2OC)nc1C ZINC000012809020 521611074 /nfs/dbraw/zinc/61/10/74/521611074.db2.gz GWIYTEOOWRXOLQ-UHFFFAOYSA-N 0 0 442.512 4.552 50 0 IJAARN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2)CCO1 ZINC000252512116 521614018 /nfs/dbraw/zinc/61/40/18/521614018.db2.gz MSCMJAOKTIGABD-FSNSLZAISA-N 0 0 444.616 4.569 50 0 IJAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000012797756 521617153 /nfs/dbraw/zinc/61/71/53/521617153.db2.gz ADJCJDBVTKIIEK-UHFFFAOYSA-N 0 0 431.945 4.508 50 0 IJAARN CCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021868787 521701598 /nfs/dbraw/zinc/70/15/98/521701598.db2.gz XSSAZMVFPQLQPH-SANMLTNESA-N 0 0 434.584 4.527 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000035778249 521751456 /nfs/dbraw/zinc/75/14/56/521751456.db2.gz HCGLNGVUPPWMNM-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN CCSc1cccc(C(=O)N(CCn2cccn2)c2nc3ccc(OC)cc3s2)c1 ZINC000022603290 521752671 /nfs/dbraw/zinc/75/26/71/521752671.db2.gz RDQCYCYPDCDQJW-UHFFFAOYSA-N 0 0 438.578 4.960 50 0 IJAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)N1CCC3(CC1)OCCO3)n2Cc1ccccc1 ZINC000035562598 521779081 /nfs/dbraw/zinc/77/90/81/521779081.db2.gz ORVPVJYKPYTQDR-FQEVSTJZSA-N 0 0 448.563 4.846 50 0 IJAARN CC[C@@H](C(=O)N1CCN(c2nc(C)nc3sc4c(c32)CCCC4)CC1)c1ccccc1 ZINC000035888244 521822410 /nfs/dbraw/zinc/82/24/10/521822410.db2.gz FNKXMZUSBLAABD-LJQANCHMSA-N 0 0 434.609 4.721 50 0 IJAARN CCc1ccccc1NC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1 ZINC000021650330 521859864 /nfs/dbraw/zinc/85/98/64/521859864.db2.gz XNVONJICCMFBRS-UHFFFAOYSA-N 0 0 445.567 4.557 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1)c1ccccc1 ZINC000033067805 521865313 /nfs/dbraw/zinc/86/53/13/521865313.db2.gz WBISFQKPJDWKED-JOCHJYFZSA-N 0 0 427.504 4.714 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273089 521887276 /nfs/dbraw/zinc/88/72/76/521887276.db2.gz ICTOERHWSRUXKP-UHFFFAOYSA-N 0 0 435.553 4.764 50 0 IJAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(Br)c(Br)s2)c1 ZINC000013007406 521987436 /nfs/dbraw/zinc/98/74/36/521987436.db2.gz XMQBBEHDAWNHDI-UHFFFAOYSA-N 0 0 433.121 4.620 50 0 IJAARN COc1cc(Br)c(CCNC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC ZINC000016965569 522022763 /nfs/dbraw/zinc/02/27/63/522022763.db2.gz DSDYUABSPUTXEW-UHFFFAOYSA-N 0 0 446.341 4.731 50 0 IJAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(C)=O)CC2)n1 ZINC000036003007 522056935 /nfs/dbraw/zinc/05/69/35/522056935.db2.gz DPIBHQSFCAVURS-OOHWJJMZSA-N 0 0 440.979 4.842 50 0 IJAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000012608206 522078141 /nfs/dbraw/zinc/07/81/41/522078141.db2.gz SVCIJDFUWKPHOV-UHFFFAOYSA-N 0 0 439.512 4.673 50 0 IJAARN CN(C)c1c(CN(CC2CC2)C(=O)C2CCCC2)c(C(F)(F)F)nn1-c1ccccc1 ZINC000035975324 522109866 /nfs/dbraw/zinc/10/98/66/522109866.db2.gz NSJCXTYJPDRZEA-UHFFFAOYSA-N 0 0 434.506 4.886 50 0 IJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000012196746 522166191 /nfs/dbraw/zinc/16/61/91/522166191.db2.gz CZGKORXWHBAQKP-URXFXBBRSA-N 0 0 432.451 4.863 50 0 IJAARN COc1cc(C(=O)Oc2ccc3c(c2)onc3Cc2ccccc2F)cc(OC)c1OC ZINC000020724230 522171521 /nfs/dbraw/zinc/17/15/21/522171521.db2.gz HNXFFBMVFFNSER-UHFFFAOYSA-N 0 0 437.423 4.803 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1 ZINC000035928495 522219695 /nfs/dbraw/zinc/21/96/95/522219695.db2.gz CZSKMHWHXBYHQA-HSZRJFAPSA-N 0 0 437.590 4.774 50 0 IJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CCCC3 ZINC000035849352 522442087 /nfs/dbraw/zinc/44/20/87/522442087.db2.gz PGAQLUOVIBHNKY-MRXNPFEDSA-N 0 0 426.630 4.922 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000021179330 522520709 /nfs/dbraw/zinc/52/07/09/522520709.db2.gz BHOQPSAXPBTFIA-UHFFFAOYSA-N 0 0 431.970 4.653 50 0 IJAARN CCc1nnc2c(Oc3ccc(NC(=O)Cc4ccc(F)cc4)cc3)nc3ccccc3n12 ZINC000035461039 522794640 /nfs/dbraw/zinc/79/46/40/522794640.db2.gz ZVGWEGQTGYSFHR-UHFFFAOYSA-N 0 0 441.466 4.953 50 0 IJAARN COc1cc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000012344741 522937650 /nfs/dbraw/zinc/93/76/50/522937650.db2.gz LOAAIGOZKRMIOQ-OAQYLSRUSA-N 0 0 441.915 4.804 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)ccc1OCc1ccc(F)cc1 ZINC000012419402 522961777 /nfs/dbraw/zinc/96/17/77/522961777.db2.gz WZJRHQNJYALSNE-LJQANCHMSA-N 0 0 445.446 4.696 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](C)c4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000012900279 522994343 /nfs/dbraw/zinc/99/43/43/522994343.db2.gz KVBYWCFONLWKIF-MRXNPFEDSA-N 0 0 435.520 4.634 50 0 biogenic IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(Cl)c1)CC2 ZINC000013056057 523040045 /nfs/dbraw/zinc/04/00/45/523040045.db2.gz ZEGSTEWTHDNWGJ-RUZDIDTESA-N 0 0 436.939 4.943 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021936880 523077752 /nfs/dbraw/zinc/07/77/52/523077752.db2.gz JLVJOCQFXIDWBN-VQTJNVASSA-N 0 0 434.565 4.842 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1 ZINC000021805281 523095948 /nfs/dbraw/zinc/09/59/48/523095948.db2.gz PMGPBHHUTNYCSJ-QFIPXVFZSA-N 0 0 439.943 4.961 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)no2)cc1 ZINC000021805316 523097734 /nfs/dbraw/zinc/09/77/34/523097734.db2.gz JJSZICSPFQXMJT-OAQYLSRUSA-N 0 0 425.916 4.571 50 0 IJAARN COc1ccc(-c2cc(C(=O)OCC(=O)N(C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000012539890 523103664 /nfs/dbraw/zinc/10/36/64/523103664.db2.gz LMOVZLJZIOMMFN-UHFFFAOYSA-N 0 0 432.520 4.858 50 0 IJAARN CCn1c(C(=O)N(C)c2ccc(Br)cc2)cc2c1c1ccccc1oc2=O ZINC000035479321 523112271 /nfs/dbraw/zinc/11/22/71/523112271.db2.gz SBFYUIJHYGIPAR-UHFFFAOYSA-N 0 0 425.282 4.807 50 0 IJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(SC)c4)nccn3n2)cc1 ZINC000016954724 523119260 /nfs/dbraw/zinc/11/92/60/523119260.db2.gz PTZULSFEIRXPPW-UHFFFAOYSA-N 0 0 436.562 4.858 50 0 IJAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](Nc4ccc(OC)c(OC)c4)C3)o2)cc1 ZINC000012448640 523128387 /nfs/dbraw/zinc/12/83/87/523128387.db2.gz PXCYKJAWTFOHLW-IBGZPJMESA-N 0 0 436.508 4.689 50 0 IJAARN COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)/C=C\c3ccccc3)n2)cc1OC ZINC000012442273 523159537 /nfs/dbraw/zinc/15/95/37/523159537.db2.gz DOCOFJLHBBXLCV-XFXZXTDPSA-N 0 0 446.532 4.973 50 0 IJAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)s2)cc1 ZINC000016992174 523194005 /nfs/dbraw/zinc/19/40/05/523194005.db2.gz PPVDLFOOLXVQEV-UHFFFAOYSA-N 0 0 442.606 4.527 50 0 IJAARN CCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccc(C)cc3)nsc2c1=O ZINC000033300291 523229183 /nfs/dbraw/zinc/22/91/83/523229183.db2.gz IREINJLOBYSXFP-UHFFFAOYSA-N 0 0 436.562 4.579 50 0 IJAARN COCCCNC(=O)/C(=C/c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 ZINC000012112404 523303923 /nfs/dbraw/zinc/30/39/23/523303923.db2.gz XPILGEFDIMUHDR-PGMHBOJBSA-N 0 0 438.911 4.524 50 0 IJAARN COc1ccc(-n2nc3nc(NCc4ccccc4)nc(-c4ccc(F)cc4)c3c2N)cc1 ZINC000035930009 523349123 /nfs/dbraw/zinc/34/91/23/523349123.db2.gz NFNDNKQBGQWWHG-UHFFFAOYSA-N 0 0 440.482 4.825 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000033923845 523383240 /nfs/dbraw/zinc/38/32/40/523383240.db2.gz SXWORWSLFOEFDY-JCMHNJIXSA-N 0 0 430.504 4.730 50 0 IJAARN CN(Cc1nccn1C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000012539585 523589354 /nfs/dbraw/zinc/58/93/54/523589354.db2.gz AXYHXJSCORCLSW-UHFFFAOYSA-N 0 0 435.325 4.670 50 0 IJAARN COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(OC)c1OC ZINC000012793134 523605939 /nfs/dbraw/zinc/60/59/39/523605939.db2.gz BJVKWGBRMRJYHF-KRWDZBQOSA-N 0 0 448.519 4.798 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035884931 523606570 /nfs/dbraw/zinc/60/65/70/523606570.db2.gz ARMVWMFPRBKVRO-QHCPKHFHSA-N 0 0 448.494 4.786 50 0 IJAARN COc1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(OC)c1OC ZINC000012793138 523607862 /nfs/dbraw/zinc/60/78/62/523607862.db2.gz BJVKWGBRMRJYHF-QGZVFWFLSA-N 0 0 448.519 4.798 50 0 IJAARN COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)c(OC)c1 ZINC000035835870 523614883 /nfs/dbraw/zinc/61/48/83/523614883.db2.gz DTEJCWZBFVDJAX-FQEVSTJZSA-N 0 0 448.494 4.679 50 0 IJAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1 ZINC000012794192 523625657 /nfs/dbraw/zinc/62/56/57/523625657.db2.gz LJXSHAKCIKZZNY-QGZVFWFLSA-N 0 0 428.583 4.604 50 0 IJAARN CC[S@](=O)c1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022227757 523654413 /nfs/dbraw/zinc/65/44/13/523654413.db2.gz VZKTYAGTUMTVDS-NMEJYPJZSA-N 0 0 437.517 4.790 50 0 IJAARN CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccccc1Cl ZINC000031818709 523720222 /nfs/dbraw/zinc/72/02/22/523720222.db2.gz HWAOVVAEQMFDHS-UHFFFAOYSA-N 0 0 435.940 4.740 50 0 IJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(=O)NC(C)C ZINC000035978626 523734896 /nfs/dbraw/zinc/73/48/96/523734896.db2.gz QTRAWTPHPRNDAP-UHFFFAOYSA-N 0 0 440.519 4.585 50 0 IJAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880664 523828082 /nfs/dbraw/zinc/82/80/82/523828082.db2.gz BTCPHSDJZZYROE-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN CN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000009788972 523835117 /nfs/dbraw/zinc/83/51/17/523835117.db2.gz LXYWPSAJTIDXKW-DEOSSOPVSA-N 0 0 428.532 4.531 50 0 IJAARN CCc1ccc(-c2nc3n(n2)C(=O)N[C@@](c2ccc(OC)cc2)(C(F)(F)F)S3)cc1 ZINC000012788556 523861486 /nfs/dbraw/zinc/86/14/86/523861486.db2.gz FTYKMGZTJDJXFK-LJQANCHMSA-N 0 0 434.443 4.595 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccsc2C(=O)OC)cc1 ZINC000020943312 523867617 /nfs/dbraw/zinc/86/76/17/523867617.db2.gz ZWUBJWHTWJBZMS-UHFFFAOYSA-N 0 0 434.521 4.700 50 0 IJAARN COc1ccc(C2=NN(C(=O)COc3ccc(F)cc3Cl)[C@H](c3ccco3)C2)cc1 ZINC000012748905 523877420 /nfs/dbraw/zinc/87/74/20/523877420.db2.gz GCIIOMHOLWYJJE-IBGZPJMESA-N 0 0 428.847 4.837 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012197024 523879479 /nfs/dbraw/zinc/87/94/79/523879479.db2.gz BKUWZPLPHFMTCP-ATIYNZHBSA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000012193223 523879924 /nfs/dbraw/zinc/87/99/24/523879924.db2.gz LZDMZYNUJSSQGG-IBVKSMDESA-N 0 0 446.503 4.963 50 0 IJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)c3cccc(F)c3)C2)cc1 ZINC000035944416 523879937 /nfs/dbraw/zinc/87/99/37/523879937.db2.gz HQGGUYWUSUEQBL-HSZRJFAPSA-N 0 0 436.458 4.809 50 0 IJAARN CCc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C2CC2)cc1 ZINC000012860138 523882317 /nfs/dbraw/zinc/88/23/17/523882317.db2.gz ODFXBDSECZOLSC-UHFFFAOYSA-N 0 0 426.314 4.866 50 0 IJAARN CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328617 523952512 /nfs/dbraw/zinc/95/25/12/523952512.db2.gz IWZNCANJEFCGQA-SFHVURJKSA-N 0 0 427.976 4.754 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021810912 523963948 /nfs/dbraw/zinc/96/39/48/523963948.db2.gz BCMWHFHBAOEDBU-VKZJBHIYSA-N 0 0 433.552 4.911 50 0 IJAARN COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000022507602 523965449 /nfs/dbraw/zinc/96/54/49/523965449.db2.gz CXBSXKBGIFPLIX-UHFFFAOYSA-N 0 0 429.520 4.539 50 0 IJAARN COc1ccc(CCNC(=O)c2cn3cc(-c4ccccc4Cl)ccc3n2)cc1OC ZINC000034831001 523971421 /nfs/dbraw/zinc/97/14/21/523971421.db2.gz FYDZNNTWJOENCF-UHFFFAOYSA-N 0 0 435.911 4.644 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027897 523998978 /nfs/dbraw/zinc/99/89/78/523998978.db2.gz USZSABDPJJJXFZ-ZDUSSCGKSA-N 0 0 444.944 4.551 50 0 IJAARN COc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021855659 524021099 /nfs/dbraw/zinc/02/10/99/524021099.db2.gz DRLLSCRNFDVQPQ-HHHXNRCGSA-N 0 0 445.563 4.514 50 0 IJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccc(F)cc4F)n3)nc2c1 ZINC000021721745 524098379 /nfs/dbraw/zinc/09/83/79/524098379.db2.gz YUYYCHKWTRPHRV-UHFFFAOYSA-N 0 0 430.436 4.661 50 0 IJAARN Cc1ccc(C)c(CN(C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c2ccc(C(C)C)cc2)c1 ZINC000021167285 524098799 /nfs/dbraw/zinc/09/87/99/524098799.db2.gz KEKWFCVCPLMPAE-FCHUYYIVSA-N 0 0 428.623 4.702 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C1 ZINC000012586372 524104620 /nfs/dbraw/zinc/10/46/20/524104620.db2.gz DIGCLQOPIQREFC-FQEVSTJZSA-N 0 0 448.588 4.878 50 0 IJAARN C[C@H]1CCCN(c2nc3ncnc(SCC(=O)Nc4ccc(Cl)cc4)c3s2)C1 ZINC000035533412 524109644 /nfs/dbraw/zinc/10/96/44/524109644.db2.gz FGBDYCGRMFPZJI-LBPRGKRZSA-N 0 0 433.990 4.707 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)o2)c1 ZINC000012419169 524120115 /nfs/dbraw/zinc/12/01/15/524120115.db2.gz WZOXVWHPLLCSSX-QGZVFWFLSA-N 0 0 432.929 4.727 50 0 IJAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060405 524120857 /nfs/dbraw/zinc/12/08/57/524120857.db2.gz DHQJPGCGDPWFKT-IZZNHLLZSA-N 0 0 442.559 4.518 50 0 IJAARN Cc1cccc(-c2nnc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)CC(C)(C)C)s2)c1 ZINC000035723840 524123960 /nfs/dbraw/zinc/12/39/60/524123960.db2.gz PDMUMEUUWKZNCJ-LJQANCHMSA-N 0 0 436.581 4.616 50 0 IJAARN Cc1cccc(-c2nnc(SCc3noc(CCC(=O)Nc4cc(C)cc(C)c4)n3)o2)c1 ZINC000021721657 524128638 /nfs/dbraw/zinc/12/86/38/524128638.db2.gz GSLOAZFWPXUOTF-UHFFFAOYSA-N 0 0 449.536 4.908 50 0 IJAARN Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)c1 ZINC000020899955 524129459 /nfs/dbraw/zinc/12/94/59/524129459.db2.gz YFXPDANDXMORKK-LJQANCHMSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4)o3)no2)c1 ZINC000021721501 524133878 /nfs/dbraw/zinc/13/38/78/524133878.db2.gz TXIWHEUNPLJVRR-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)N[C@@H](C)Cc4ncccc4C)cc3o2)cc1OC ZINC000012449009 524166188 /nfs/dbraw/zinc/16/61/88/524166188.db2.gz HYLPZDYUSFDXKH-KRWDZBQOSA-N 0 0 445.519 4.500 50 0 IJAARN COc1ccc(Cc2nc3ccc(C(=O)N[C@H](C)Cc4ncccc4C)cc3o2)cc1OC ZINC000012449010 524166220 /nfs/dbraw/zinc/16/62/20/524166220.db2.gz HYLPZDYUSFDXKH-QGZVFWFLSA-N 0 0 445.519 4.500 50 0 IJAARN COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCc2ccccc2)c1 ZINC000036045733 524179326 /nfs/dbraw/zinc/17/93/26/524179326.db2.gz HYZVGPBFDCIDSN-RPWUZVMVSA-N 0 0 448.950 4.521 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000012792547 524185983 /nfs/dbraw/zinc/18/59/83/524185983.db2.gz XXANZJJSHIXPHK-HOTGVXAUSA-N 0 0 445.357 4.870 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000001105874 524187958 /nfs/dbraw/zinc/18/79/58/524187958.db2.gz YJPWOLOAPKQOPB-NRFANRHFSA-N 0 0 433.895 4.645 50 0 IJAARN COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc21 ZINC000012345115 524188065 /nfs/dbraw/zinc/18/80/65/524188065.db2.gz OFJWREGQJKMVRR-UHFFFAOYSA-N 0 0 444.969 4.530 50 0 IJAARN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)c1 ZINC000036062708 524208736 /nfs/dbraw/zinc/20/87/36/524208736.db2.gz DRGHUXISHWSAHR-JXFKEZNVSA-N 0 0 431.374 4.698 50 0 IJAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037385627 524210985 /nfs/dbraw/zinc/21/09/85/524210985.db2.gz ILUAXFREKHGKEH-INIZCTEOSA-N 0 0 447.922 4.887 50 0 IJAARN COc1ccc(Cl)cc1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 ZINC000024083562 524211864 /nfs/dbraw/zinc/21/18/64/524211864.db2.gz OLNQYRMLLDXJIH-UHFFFAOYSA-N 0 0 428.989 4.877 50 0 IJAARN Cc1ccc(C)c2c(=O)cc(CSc3nnc(NC(=O)C4CCCCC4)s3)[nH]c12 ZINC000021099276 524214216 /nfs/dbraw/zinc/21/42/16/524214216.db2.gz FBNFPYZNHQMFFG-UHFFFAOYSA-N 0 0 428.583 4.808 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012792626 524222414 /nfs/dbraw/zinc/22/24/14/524222414.db2.gz MHYGKZZBOAWBQI-UHFFFAOYSA-N 0 0 433.291 4.973 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127832 524235051 /nfs/dbraw/zinc/23/50/51/524235051.db2.gz UUEPCYVUTLSWAX-QFIPXVFZSA-N 0 0 435.911 4.801 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000001096559 524251071 /nfs/dbraw/zinc/25/10/71/524251071.db2.gz ZLXYUKDSGKLABB-UHFFFAOYSA-N 0 0 427.397 4.738 50 0 IJAARN COc1ccccc1-n1c2c(cc(C(=O)Nc3cccc(C)c3)c1=O)C(=O)CC(C)(C)C2 ZINC000016957064 524302444 /nfs/dbraw/zinc/30/24/44/524302444.db2.gz ZCKLQABWPKLWLM-UHFFFAOYSA-N 0 0 430.504 4.562 50 0 IJAARN Cc1ccc(CCN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482092 524322605 /nfs/dbraw/zinc/32/26/05/524322605.db2.gz AIHXJCPWKVHGEH-RUZDIDTESA-N 0 0 435.593 4.527 50 0 IJAARN Cc1ccc(CCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)cc1 ZINC000020726643 524326546 /nfs/dbraw/zinc/32/65/46/524326546.db2.gz ZHSLKNNUHDJGIL-ULJHMMPZSA-N 0 0 428.557 4.834 50 0 IJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000020939387 524347609 /nfs/dbraw/zinc/34/76/09/524347609.db2.gz ODKBACLQJVFACE-UHFFFAOYSA-N 0 0 446.576 4.815 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000017135387 524370160 /nfs/dbraw/zinc/37/01/60/524370160.db2.gz QSIMMWSHXXRYDJ-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2C)cc1OC ZINC000017135992 524370289 /nfs/dbraw/zinc/37/02/89/524370289.db2.gz CEZXJZKBTVKHRE-UHFFFAOYSA-N 0 0 435.528 4.569 50 0 IJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)Cc2ccccc2)C1 ZINC000035835425 524374401 /nfs/dbraw/zinc/37/44/01/524374401.db2.gz UTKMWQWJXIWWAF-NRFANRHFSA-N 0 0 432.495 4.599 50 0 IJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCCc4ccccc4)cc3)C2=O)c1 ZINC000035180839 524393397 /nfs/dbraw/zinc/39/33/97/524393397.db2.gz LWSDSWMHJPCEBM-UHFFFAOYSA-N 0 0 427.548 4.800 50 0 IJAARN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1 ZINC000014413172 524407748 /nfs/dbraw/zinc/40/77/48/524407748.db2.gz NKQOUHLHQSVBHF-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN Cc1ccc(CN2C(=O)CSc3c(c4ccccc4n3C)[C@H]2C(=O)NCCC(C)C)cc1 ZINC000021911756 524429126 /nfs/dbraw/zinc/42/91/26/524429126.db2.gz RKVSZSIHTUHWKX-DEOSSOPVSA-N 0 0 449.620 4.825 50 0 IJAARN COc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855715 524445123 /nfs/dbraw/zinc/44/51/23/524445123.db2.gz NYSQTFJADYNCLO-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN COc1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1OCc1ccncc1 ZINC000036759363 524451123 /nfs/dbraw/zinc/45/11/23/524451123.db2.gz HZWHBXZIPZPBTK-RMKNXTFCSA-N 0 0 426.419 4.923 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)c(C)c1 ZINC000014960264 524484449 /nfs/dbraw/zinc/48/44/49/524484449.db2.gz POOVDZRDQJPCAI-GOSISDBHSA-N 0 0 444.959 4.693 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1Cl ZINC000012478167 524484498 /nfs/dbraw/zinc/48/44/98/524484498.db2.gz SGZWTOCRARQEES-GOSISDBHSA-N 0 0 444.959 4.775 50 0 IJAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3cccs3)CC2)c1 ZINC000021159948 524492788 /nfs/dbraw/zinc/49/27/88/524492788.db2.gz IGQVPEVRGCVLRB-UHFFFAOYSA-N 0 0 444.604 4.987 50 0 IJAARN Cc1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000021882594 524499727 /nfs/dbraw/zinc/49/97/27/524499727.db2.gz HQGDVBGMEHALMX-KRWDZBQOSA-N 0 0 437.609 4.693 50 0 IJAARN COc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000021530341 524518444 /nfs/dbraw/zinc/51/84/44/524518444.db2.gz PPZISEPAVNBBNG-NRFANRHFSA-N 0 0 434.467 4.569 50 0 IJAARN COc1ccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)cc1OC ZINC000012323150 524524822 /nfs/dbraw/zinc/52/48/22/524524822.db2.gz ICFRLBFGRSABGT-UHFFFAOYSA-N 0 0 438.427 4.907 50 0 IJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1C ZINC000021810908 524536257 /nfs/dbraw/zinc/53/62/57/524536257.db2.gz XHSLQSPKAJEKSJ-GTIOVZTQSA-N 0 0 433.552 4.965 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3nn(C)c4c3CSc3ccc(C)cc3-4)C[C@H]2C)c1 ZINC000021049219 524551297 /nfs/dbraw/zinc/55/12/97/524551297.db2.gz KDPNCRPCJNWXCE-GOSISDBHSA-N 0 0 432.593 4.661 50 0 IJAARN Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000012534328 524563523 /nfs/dbraw/zinc/56/35/23/524563523.db2.gz FSNUWRPFWMIJDL-UHFFFAOYSA-N 0 0 425.891 4.768 50 0 IJAARN Cc1ccc(CNC(=O)c2nnc(CSc3nc4cc(Cl)ccc4[nH]3)s2)cc1 ZINC000012823807 524568733 /nfs/dbraw/zinc/56/87/33/524568733.db2.gz QAEMOIOHELHXDY-UHFFFAOYSA-N 0 0 429.958 4.599 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccs3)nn2[C@H]1c1ccccc1 ZINC000012377967 524586650 /nfs/dbraw/zinc/58/66/50/524586650.db2.gz QPSZNLWXEBRDEL-NRFANRHFSA-N 0 0 443.532 4.943 50 0 IJAARN COc1ccccc1NC(=O)C1CCN(c2nccnc2Sc2ccc(C)cc2)CC1 ZINC000033168622 524589270 /nfs/dbraw/zinc/58/92/70/524589270.db2.gz QRUGALVTBGICOH-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN COc1ccccc1NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415125 524589833 /nfs/dbraw/zinc/58/98/33/524589833.db2.gz FJQAAJPNEUDFCJ-UHFFFAOYSA-N 0 0 436.512 4.847 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2-c2cc(C)cc(C)c2)SCC3)c1 ZINC000012140533 524601778 /nfs/dbraw/zinc/60/17/78/524601778.db2.gz VIPJIJANMBTULW-UHFFFAOYSA-N 0 0 437.590 4.537 50 0 IJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)c1C ZINC000033258248 524620869 /nfs/dbraw/zinc/62/08/69/524620869.db2.gz JDMUOIUHVCTPMH-UHFFFAOYSA-N 0 0 431.540 4.975 50 0 IJAARN Cc1ccc(COc2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc32)cc1 ZINC000015390705 524630592 /nfs/dbraw/zinc/63/05/92/524630592.db2.gz XXDGPMCUJUEBCX-UHFFFAOYSA-N 0 0 427.504 4.678 50 0 IJAARN Cc1ccc(CSCCNC(=O)c2oc3ccccc3c2CSc2nc[nH]n2)cc1 ZINC000012764857 524646469 /nfs/dbraw/zinc/64/64/69/524646469.db2.gz MXUZNHYSJIWKFM-UHFFFAOYSA-N 0 0 438.578 4.815 50 0 IJAARN Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2CC2CC2)cc1 ZINC000023435056 524648284 /nfs/dbraw/zinc/64/82/84/524648284.db2.gz HEHXEJYVFSGXSV-UHFFFAOYSA-N 0 0 441.622 4.832 50 0 IJAARN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc2O1 ZINC000041158107 524661537 /nfs/dbraw/zinc/66/15/37/524661537.db2.gz JRYBBWKNIYNLKD-HNNXBMFYSA-N 0 0 442.924 4.569 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c21 ZINC000012741863 524671246 /nfs/dbraw/zinc/67/12/46/524671246.db2.gz AVDPPADMKPPIHS-UHFFFAOYSA-N 0 0 436.493 4.787 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-n1cccc1 ZINC000015881915 524744377 /nfs/dbraw/zinc/74/43/77/524744377.db2.gz SFDNGCMQGCQLGZ-UHFFFAOYSA-N 0 0 437.956 4.674 50 0 IJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)no2)c1 ZINC000036011845 524790881 /nfs/dbraw/zinc/79/08/81/524790881.db2.gz PAYFZYYSQRXRIF-UHFFFAOYSA-N 0 0 436.439 4.934 50 0 IJAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)c2ccsc2)C3)c1 ZINC000014989841 524791807 /nfs/dbraw/zinc/79/18/07/524791807.db2.gz NAUPYHULKAZTLI-QGZVFWFLSA-N 0 0 429.925 4.819 50 0 IJAARN COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)NCc3cccs3)c2N1 ZINC000012847701 524815949 /nfs/dbraw/zinc/81/59/49/524815949.db2.gz DABBBHFHQJBZRB-WBVHZDCISA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccc(OC)c(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)c1 ZINC000015413261 524843202 /nfs/dbraw/zinc/84/32/02/524843202.db2.gz FXMRAIRVRVORSK-SANMLTNESA-N 0 0 444.531 4.948 50 0 IJAARN COc1ccc(OC)c(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721525 524853796 /nfs/dbraw/zinc/85/37/96/524853796.db2.gz JIZYKKJEPIHCNO-HSZRJFAPSA-N 0 0 430.504 4.738 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000012617293 524877468 /nfs/dbraw/zinc/87/74/68/524877468.db2.gz GILWJZSQKFNYJQ-GJZGRUSLSA-N 0 0 435.446 4.505 50 0 IJAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)C1 ZINC000012733746 524884764 /nfs/dbraw/zinc/88/47/64/524884764.db2.gz SDGFUFWKEUNECV-HOTGVXAUSA-N 0 0 438.553 4.719 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[nH]c3ccc(Br)cc23)c1 ZINC000012767209 524915478 /nfs/dbraw/zinc/91/54/78/524915478.db2.gz ODQJHMVWKCRJKB-LJQANCHMSA-N 0 0 429.314 4.925 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@H]2c2cccs2)cc1 ZINC000022966394 524921592 /nfs/dbraw/zinc/92/15/92/524921592.db2.gz QWWZJFAOPFHVQT-UTKZUKDTSA-N 0 0 426.925 4.943 50 0 IJAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3ccccc3Oc3ccccc3)C(=O)[C@H]2C)cc1 ZINC000012549193 524923958 /nfs/dbraw/zinc/92/39/58/524923958.db2.gz VVHCVNAVYJDXGT-GOSISDBHSA-N 0 0 429.476 4.583 50 0 IJAARN Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000012447781 524932345 /nfs/dbraw/zinc/93/23/45/524932345.db2.gz XXURWWKBTCERQH-JOCHJYFZSA-N 0 0 434.293 4.635 50 0 IJAARN C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2[nH]1 ZINC000012540836 524992308 /nfs/dbraw/zinc/99/23/08/524992308.db2.gz ZKQHCGDMROIXLH-ZDUSSCGKSA-N 0 0 426.929 4.672 50 0 IJAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)CCc3ccccc3)s2)o1 ZINC000021359149 525015409 /nfs/dbraw/zinc/01/54/09/525015409.db2.gz WDGWTQVAYVPYDG-UHFFFAOYSA-N 0 0 437.550 4.760 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccccc4)o3)no2)c(C)c1 ZINC000021721618 525041785 /nfs/dbraw/zinc/04/17/85/525041785.db2.gz YKMGBPZQLQNFEN-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000016594316 525042568 /nfs/dbraw/zinc/04/25/68/525042568.db2.gz SQVVXIYGUXZQMV-UHFFFAOYSA-N 0 0 430.533 4.620 50 0 IJAARN C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000022796616 525054034 /nfs/dbraw/zinc/05/40/34/525054034.db2.gz ZVJFLTLRDFVZJN-GBXCKJPGSA-N 0 0 440.657 4.627 50 0 IJAARN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1ccc(Cl)cc1Cl ZINC000021389634 525059742 /nfs/dbraw/zinc/05/97/42/525059742.db2.gz DKGMFLVHWJTCQZ-CQSZACIVSA-N 0 0 426.365 4.957 50 0 IJAARN COc1ccc(S(=O)(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 ZINC000012370947 525090853 /nfs/dbraw/zinc/09/08/53/525090853.db2.gz QYLGNMACBIJYPG-UHFFFAOYSA-N 0 0 426.277 4.957 50 0 IJAARN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Cl)cc1Cl ZINC000015760461 525110775 /nfs/dbraw/zinc/11/07/75/525110775.db2.gz RZKZKKDXSQLTON-GFCCVEGCSA-N 0 0 435.332 4.533 50 0 IJAARN C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)[C@H](c1ccccc1)N1CCOCC1 ZINC000012781422 525140274 /nfs/dbraw/zinc/14/02/74/525140274.db2.gz NFNIPJBICOBPEU-XHCCPWGMSA-N 0 0 428.532 4.707 50 0 IJAARN Cc1ccccc1CN1c2ccccc2S/C(=C\C(=O)NCCc2ccccc2)C1=O ZINC000020725976 525147413 /nfs/dbraw/zinc/14/74/13/525147413.db2.gz RYHHFYFSWCMSTH-ULJHMMPZSA-N 0 0 428.557 4.877 50 0 IJAARN Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1Cl ZINC000033127943 525171610 /nfs/dbraw/zinc/17/16/10/525171610.db2.gz YIQCYEGFCKMBRB-QFIPXVFZSA-N 0 0 433.939 4.971 50 0 IJAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2OC)c2c[nH]c3ccccc32)cc1 ZINC000023573177 525183473 /nfs/dbraw/zinc/18/34/73/525183473.db2.gz CZHNZQZKQDYSJA-OAQYLSRUSA-N 0 0 430.504 4.512 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021855814 525198855 /nfs/dbraw/zinc/19/88/55/525198855.db2.gz UVPIFVCCQHCAFT-AREMUKBSSA-N 0 0 433.527 4.644 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccccc3nc2C(=O)N1C1CCCCCC1 ZINC000021862248 525200404 /nfs/dbraw/zinc/20/04/04/525200404.db2.gz DKWZKMOZQBBMSC-AREMUKBSSA-N 0 0 436.600 4.813 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCc1ccccc1 ZINC000021526535 525201856 /nfs/dbraw/zinc/20/18/56/525201856.db2.gz JASUCMMXTUIWCE-AREMUKBSSA-N 0 0 433.552 4.531 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccs1 ZINC000021811799 525201881 /nfs/dbraw/zinc/20/18/81/525201881.db2.gz CQEUKFOJTDQBIC-HSZRJFAPSA-N 0 0 425.554 4.550 50 0 IJAARN Cc1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21 ZINC000020532948 525244438 /nfs/dbraw/zinc/24/44/38/525244438.db2.gz ACCXBBLISSGNDB-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4[C@@H]3C)c2)cc1 ZINC000012584705 525305831 /nfs/dbraw/zinc/30/58/31/525305831.db2.gz NHTRTMJODPDWHR-INIZCTEOSA-N 0 0 426.563 4.617 50 0 IJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147075 525308970 /nfs/dbraw/zinc/30/89/70/525308970.db2.gz LOSFQGXQAVDBMR-DQEYMECFSA-N 0 0 448.538 4.569 50 0 IJAARN Cc1ccc(Nc2nc(COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1 ZINC000017898433 525324988 /nfs/dbraw/zinc/32/49/88/525324988.db2.gz FTUNYQDIMCXOAI-UHFFFAOYSA-N 0 0 431.558 4.885 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCC[C@H]2O)c1ccccc1 ZINC000012864762 525351458 /nfs/dbraw/zinc/35/14/58/525351458.db2.gz TXYUJDMZYNGSJQ-HOYKHHGWSA-N 0 0 444.531 4.565 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1 ZINC000012420603 525403148 /nfs/dbraw/zinc/40/31/48/525403148.db2.gz VRIFODJBHYCKRF-MRXNPFEDSA-N 0 0 433.938 4.717 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000012920726 525406572 /nfs/dbraw/zinc/40/65/72/525406572.db2.gz AENSSXKVMFREAY-HXUWFJFHSA-N 0 0 435.351 4.876 50 0 IJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000022138105 525441600 /nfs/dbraw/zinc/44/16/00/525441600.db2.gz AJAIALZZYUGLRH-KRWDZBQOSA-N 0 0 433.508 4.535 50 0 IJAARN Cc1ccc(P(=Nc2cc(Cl)ccc2Cl)(N2CCOCC2)N2CCOCC2)o1 ZINC000012577269 525481414 /nfs/dbraw/zinc/48/14/14/525481414.db2.gz NSUOBZHIFXGMMZ-UHFFFAOYSA-N 0 0 444.299 4.547 50 0 IJAARN Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000036394100 525488884 /nfs/dbraw/zinc/48/88/84/525488884.db2.gz YVWSTHBMHDNLIN-RUZDIDTESA-N 0 0 433.529 4.811 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccc4Cl)no3)C2)cc1C ZINC000021940016 525532004 /nfs/dbraw/zinc/53/20/04/525532004.db2.gz WZBDWUVSYGLZRV-MRXNPFEDSA-N 0 0 431.945 4.575 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)cc1 ZINC000020889187 525552485 /nfs/dbraw/zinc/55/24/85/525552485.db2.gz BRFUQQCLDABZBB-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN Cc1c(C(=O)N(C)Cc2cscn2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000012332057 525559792 /nfs/dbraw/zinc/55/97/92/525559792.db2.gz PDSJSFWMDNODCD-GFCCVEGCSA-N 0 0 429.596 4.963 50 0 IJAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c(Br)c1 ZINC000012520404 525586936 /nfs/dbraw/zinc/58/69/36/525586936.db2.gz PXGMVGDGQDTRTQ-LLVKDONJSA-N 0 0 444.301 4.542 50 0 IJAARN CSCC[C@H](NC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000016645492 525588757 /nfs/dbraw/zinc/58/87/57/525588757.db2.gz XRJRISUHKHKYQY-INIZCTEOSA-N 0 0 447.486 4.542 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c(C)c1 ZINC000015870182 525612293 /nfs/dbraw/zinc/61/22/93/525612293.db2.gz VKYVNNWWTYIRFV-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN Cc1cc2c(cc1S(=O)(=O)N1CC[C@H](c3ccccc3)C1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990087 525616565 /nfs/dbraw/zinc/61/65/65/525616565.db2.gz COLYARFPLNQTRH-SFHVURJKSA-N 0 0 436.577 4.810 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000021526873 525618765 /nfs/dbraw/zinc/61/87/65/525618765.db2.gz JQQXAUXVJJXDFS-VWLOTQADSA-N 0 0 425.573 4.929 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012419712 525632995 /nfs/dbraw/zinc/63/29/95/525632995.db2.gz PTDODSUWCKIICM-HZPDHXFCSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Br)c(C)c2)sc2ncnc(N3CCCC3)c12 ZINC000021115905 525654083 /nfs/dbraw/zinc/65/40/83/525654083.db2.gz DQOVUFXISJFHFI-UHFFFAOYSA-N 0 0 431.359 4.923 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)c(F)c3)sc2c1 ZINC000021661153 525656487 /nfs/dbraw/zinc/65/64/87/525656487.db2.gz FQNWHBATHUUOSH-ZDUSSCGKSA-N 0 0 426.448 4.551 50 0 IJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4F)cc3)n2)cc1 ZINC000032999067 525671463 /nfs/dbraw/zinc/67/14/63/525671463.db2.gz YEFGQSMNYVNYSI-UHFFFAOYSA-N 0 0 445.519 4.761 50 0 IJAARN Cc1cc2nc(CSc3ccccc3NC(=O)COc3cc(C)ccc3C)cc(=O)n2o1 ZINC000035429409 525675905 /nfs/dbraw/zinc/67/59/05/525675905.db2.gz DWAOECKLDWFBJJ-UHFFFAOYSA-N 0 0 449.532 4.523 50 0 IJAARN Cc1cc2sc(NC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3Cl)nc2c(C)c1 ZINC000012758373 525700897 /nfs/dbraw/zinc/70/08/97/525700897.db2.gz JTFLPZMLKBBKSE-UHFFFAOYSA-N 0 0 437.974 4.506 50 0 IJAARN COc1cccc(-c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)no2)c1 ZINC000036012582 525704634 /nfs/dbraw/zinc/70/46/34/525704634.db2.gz DOPVSXAKBFNFBD-NRFANRHFSA-N 0 0 426.900 4.825 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000017302473 525732104 /nfs/dbraw/zinc/73/21/04/525732104.db2.gz NVZJHLVTJHBJHK-UHFFFAOYSA-N 0 0 440.503 4.818 50 0 IJAARN COc1cccc(-c2nnc(SCCOc3ccc(F)cc3)n2Cc2ccco2)c1 ZINC000012567616 525732775 /nfs/dbraw/zinc/73/27/75/525732775.db2.gz OQHXCQIXRSKLGX-UHFFFAOYSA-N 0 0 425.485 4.905 50 0 IJAARN Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5ccccc5)CC4)n3n2)cc1 ZINC000033274914 525740286 /nfs/dbraw/zinc/74/02/86/525740286.db2.gz CNZPRZWHWLPHJI-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)nn2)cc1 ZINC000040921889 525752910 /nfs/dbraw/zinc/75/29/10/525752910.db2.gz ZZPICMQKTUHYCW-UHFFFAOYSA-N 0 0 439.563 4.509 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)n2)s1 ZINC000024671119 525783719 /nfs/dbraw/zinc/78/37/19/525783719.db2.gz FYLHCZWPHLKOLB-UHFFFAOYSA-N 0 0 438.582 4.571 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1c1ccc(Cl)cc1 ZINC000021863639 525791025 /nfs/dbraw/zinc/79/10/25/525791025.db2.gz ICIISIBKACOUIN-DEOSSOPVSA-N 0 0 437.927 4.879 50 0 IJAARN Cc1ccc(-c2nc(C(=O)Oc3ccc(C)cc3C(=O)N3CCSCC3)cs2)cc1 ZINC000058186173 525802211 /nfs/dbraw/zinc/80/22/11/525802211.db2.gz GXSANCSJXIBNFF-UHFFFAOYSA-N 0 0 438.574 4.835 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@H]2c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197852 525823481 /nfs/dbraw/zinc/82/34/81/525823481.db2.gz GECYBCMROHAYJI-ZSEKCTLFSA-N 0 0 448.375 4.958 50 0 IJAARN Cc1ccc(-c2nn(C[C@@H](O)COc3ccc4ccccc4c3)c(=O)c3ccccc32)cc1 ZINC000022759477 525841297 /nfs/dbraw/zinc/84/12/97/525841297.db2.gz VSEQHXWGQGOGGM-HSZRJFAPSA-N 0 0 436.511 4.965 50 0 IJAARN Cc1c(NC(=O)N[C@@H]2CCCc3ccccc32)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385549 525847809 /nfs/dbraw/zinc/84/78/09/525847809.db2.gz JDEHKERKCMBAEA-KBXCAEBGSA-N 0 0 436.581 4.938 50 0 IJAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)o2)cc1 ZINC000022027024 525857806 /nfs/dbraw/zinc/85/78/06/525857806.db2.gz DAHQUDAZOJLINS-UHFFFAOYSA-N 0 0 429.567 4.744 50 0 IJAARN CC(=O)c1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000009250419 534891017 /nfs/dbraw/zinc/89/10/17/534891017.db2.gz DPCDMCMGCIKHNX-UHFFFAOYSA-N 0 0 448.544 4.827 50 0 IJAARN COc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021855724 525928113 /nfs/dbraw/zinc/92/81/13/525928113.db2.gz ZNALQUARSOSSQP-MHZLTWQESA-N 0 0 445.563 4.514 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3)ccc2=O)cc1Cl ZINC000033128214 525930873 /nfs/dbraw/zinc/93/08/73/525930873.db2.gz IHCKVKHLLRAGAZ-GFCCVEGCSA-N 0 0 435.883 4.592 50 0 IJAARN Cc1cn2c(nc(COc3ccc(Cl)cc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000035510560 525942026 /nfs/dbraw/zinc/94/20/26/525942026.db2.gz SLSILAVUEHJGCB-UHFFFAOYSA-N 0 0 431.945 4.816 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)Nc1cccc(Cl)c1 ZINC000020866755 525991795 /nfs/dbraw/zinc/99/17/95/525991795.db2.gz SAULQIVETSCZNW-UHFFFAOYSA-N 0 0 434.927 4.876 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000012751877 526003103 /nfs/dbraw/zinc/00/31/03/526003103.db2.gz KYFUDPBRSYKVQH-QZTJIDSGSA-N 0 0 441.556 4.844 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 ZINC000012774194 526009263 /nfs/dbraw/zinc/00/92/63/526009263.db2.gz NCYQHMBXGBIPMT-CQSZACIVSA-N 0 0 439.928 4.754 50 0 IJAARN Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009237169 526042423 /nfs/dbraw/zinc/04/24/23/526042423.db2.gz JLIRMWWVNHXXAR-NHCUHLMSSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1cc(-c2nnc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)o2)c(C)o1 ZINC000012554754 526060313 /nfs/dbraw/zinc/06/03/13/526060313.db2.gz VDFGANQDPVTWTP-UHFFFAOYSA-N 0 0 436.541 4.810 50 0 IJAARN Cc1cnc(NC(=O)Cc2csc(-n3nc(C)c(Cc4cccc(F)c4)c3C)n2)s1 ZINC000021804466 526079186 /nfs/dbraw/zinc/07/91/86/526079186.db2.gz GABGKZNYIFWGDK-UHFFFAOYSA-N 0 0 441.557 4.622 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cc1 ZINC000016291924 526114493 /nfs/dbraw/zinc/11/44/93/526114493.db2.gz PJJZEHHEFLJKKQ-UHFFFAOYSA-N 0 0 433.939 4.863 50 0 IJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2n1 ZINC000020579533 526116333 /nfs/dbraw/zinc/11/63/33/526116333.db2.gz DFDGEIPNSQEJFQ-UHFFFAOYSA-N 0 0 439.515 4.698 50 0 IJAARN COc1cccc(N([C@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2F)c1 ZINC000036034051 526136723 /nfs/dbraw/zinc/13/67/23/526136723.db2.gz NOZPLLHZKRGLCN-MRXNPFEDSA-N 0 0 445.512 4.808 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012917629 526157619 /nfs/dbraw/zinc/15/76/19/526157619.db2.gz UYNIAHBIZBAHTJ-UHFFFAOYSA-N 0 0 437.721 4.555 50 0 IJAARN Cc1ccc2c(c1)CN(CC(=O)N1CCC(c3ccncc3)CC1)C[C@@H](c1ccsc1)O2 ZINC000012098524 526162262 /nfs/dbraw/zinc/16/22/62/526162262.db2.gz OOHQNAYLRLLDEF-VWLOTQADSA-N 0 0 447.604 4.793 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000012754488 526167500 /nfs/dbraw/zinc/16/75/00/526167500.db2.gz PVLBZXBFYRCPNK-UHFFFAOYSA-N 0 0 445.288 4.867 50 0 IJAARN C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000012913583 526179725 /nfs/dbraw/zinc/17/97/25/526179725.db2.gz QNMQBNKPYKPMDI-ZDUSSCGKSA-N 0 0 439.562 4.677 50 0 IJAARN COc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1 ZINC000012414519 526182851 /nfs/dbraw/zinc/18/28/51/526182851.db2.gz OEKMHBHTJSXHIR-UHFFFAOYSA-N 0 0 437.858 4.503 50 0 IJAARN Cc1ccc2nc(CNc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cc(=O)n2c1 ZINC000012526841 526249067 /nfs/dbraw/zinc/24/90/67/526249067.db2.gz OHMYXTRGIOMZFJ-UHFFFAOYSA-N 0 0 431.336 4.575 50 0 IJAARN Cc1nn(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2c3ccccc3sc21 ZINC000020466874 526267935 /nfs/dbraw/zinc/26/79/35/526267935.db2.gz NNHYKMIRMCYWNY-SIGOSDGXSA-N 0 0 435.593 4.641 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc12 ZINC000012693336 526289001 /nfs/dbraw/zinc/28/90/01/526289001.db2.gz BSACUGQQMDLXFG-NRFANRHFSA-N 0 0 448.592 4.923 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCc1nc(-c2ccccc2C)no1 ZINC000012623173 526296911 /nfs/dbraw/zinc/29/69/11/526296911.db2.gz ZNDLAGODFWILLK-UHFFFAOYSA-N 0 0 436.899 4.917 50 0 IJAARN Cc1nn2c(nc(C(C)(C)C)cc2NCCCN2CCOCC2)c1-c1ccc(Cl)cc1 ZINC000020479713 526310315 /nfs/dbraw/zinc/31/03/15/526310315.db2.gz GXDDEVARPHIZLK-UHFFFAOYSA-N 0 0 442.007 4.790 50 0 IJAARN Cc1nn2c(nc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)cc2=O)s1 ZINC000020582801 526312497 /nfs/dbraw/zinc/31/24/97/526312497.db2.gz YVBVXIIGZMZBSG-UHFFFAOYSA-N 0 0 442.953 4.657 50 0 IJAARN O=C(CC(F)(F)F)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012195838 526320929 /nfs/dbraw/zinc/32/09/29/526320929.db2.gz TZJYNRFQSJLFJT-QGZVFWFLSA-N 0 0 429.442 4.964 50 0 IJAARN Fc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cc1 ZINC000023983607 526342644 /nfs/dbraw/zinc/34/26/44/526342644.db2.gz BOBMTTOUGGMRTB-UHFFFAOYSA-N 0 0 434.540 4.942 50 0 IJAARN O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl ZINC000035422602 526348611 /nfs/dbraw/zinc/34/86/11/526348611.db2.gz DPANUPBZDIYBOP-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN Cc1nnc(CSc2nc3sc4c(c3c(=O)n2-c2cc(C)cc(C)c2)CCCC4)o1 ZINC000012786135 526349320 /nfs/dbraw/zinc/34/93/20/526349320.db2.gz YVDJCPKFBZUKND-UHFFFAOYSA-N 0 0 438.578 4.927 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N(CCc1ccccc1)Cc1cccs1 ZINC000012919718 526376781 /nfs/dbraw/zinc/37/67/81/526376781.db2.gz SOJQROIZHPKDLE-UHFFFAOYSA-N 0 0 445.588 4.736 50 0 IJAARN S=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000017452083 526384968 /nfs/dbraw/zinc/38/49/68/526384968.db2.gz PDFKZQUADXJAOC-UHFFFAOYSA-N 0 0 442.544 4.797 50 0 IJAARN O=C(CCCOc1ccc(Br)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009788994 526446744 /nfs/dbraw/zinc/44/67/44/526446744.db2.gz IVUOJAVVGKBCCX-LJQANCHMSA-N 0 0 446.341 4.743 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)cc3F)c2)c1C ZINC000020580511 526450591 /nfs/dbraw/zinc/45/05/91/526450591.db2.gz OKKHXQGJZKVRPX-UHFFFAOYSA-N 0 0 439.306 4.969 50 0 IJAARN Cc1csc2nc(CSCc3nc(-c4cccc(C(F)(F)F)c4)no3)cc(=O)n12 ZINC000012931280 526456567 /nfs/dbraw/zinc/45/65/67/526456567.db2.gz RLYXLUJFQSJYIG-UHFFFAOYSA-N 0 0 438.456 4.567 50 0 IJAARN Cc1noc(C)c1CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012746316 526479132 /nfs/dbraw/zinc/47/91/32/526479132.db2.gz IQOMYIXLGPDQTN-FQEVSTJZSA-N 0 0 435.499 4.517 50 0 IJAARN O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1c(Cl)cccc1Cl ZINC000022931087 526487766 /nfs/dbraw/zinc/48/77/66/526487766.db2.gz MVMFSVZJSSTPFA-UHFFFAOYSA-N 0 0 432.804 4.855 50 0 IJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000032996038 526490299 /nfs/dbraw/zinc/49/02/99/526490299.db2.gz NWHLLDMOIVPJPA-OFNKIYASSA-N 0 0 443.572 4.782 50 0 IJAARN O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012891418 526524227 /nfs/dbraw/zinc/52/42/27/526524227.db2.gz LQYLNXBVOGEKBR-LPHOPBHVSA-N 0 0 439.968 4.662 50 0 IJAARN O=C(CCSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000012766600 526546081 /nfs/dbraw/zinc/54/60/81/526546081.db2.gz MAJMSRFYRLKCOP-UHFFFAOYSA-N 0 0 441.988 4.637 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 ZINC000022549681 526566675 /nfs/dbraw/zinc/56/66/75/526566675.db2.gz QVOVAJWMWSSVNF-UHFFFAOYSA-N 0 0 430.537 4.597 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)N2CCC(C)CC2)CC1 ZINC000035454671 526567184 /nfs/dbraw/zinc/56/71/84/526567184.db2.gz XCXXAIISVLXHRS-UHFFFAOYSA-N 0 0 439.625 4.928 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000017026230 526573320 /nfs/dbraw/zinc/57/33/20/526573320.db2.gz PGSMHFAAFPCOBZ-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C(=O)Nc1cccc(C)c1C ZINC000017135618 526573839 /nfs/dbraw/zinc/57/38/39/526573839.db2.gz HRRZVWPSIVHTIF-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NCCn1ccc2ccccc21 ZINC000012211834 526576802 /nfs/dbraw/zinc/57/68/02/526576802.db2.gz QEDJCLGAICDGFO-MUUNZHRXSA-N 0 0 439.559 4.582 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000015076397 526593017 /nfs/dbraw/zinc/59/30/17/526593017.db2.gz AKXROXMRWQUPCT-NDEPHWFRSA-N 0 0 437.543 4.754 50 0 IJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020713809 526606448 /nfs/dbraw/zinc/60/64/48/526606448.db2.gz XXTVDYBLIWVGKL-UHFFFAOYSA-N 0 0 427.957 4.856 50 0 IJAARN O=C(NCc1cc2ccccc2s1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012711626 526645864 /nfs/dbraw/zinc/64/58/64/526645864.db2.gz UUWFBVXFOBDERZ-KRWDZBQOSA-N 0 0 446.494 4.975 50 0 IJAARN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000012430825 526651382 /nfs/dbraw/zinc/65/13/82/526651382.db2.gz KGHLTNORMIBJOF-SFHVURJKSA-N 0 0 433.508 4.937 50 0 IJAARN O=C(CCc1nc(CSc2nnc(-c3ccccc3Cl)o2)no1)Nc1ccccc1 ZINC000021721684 526651736 /nfs/dbraw/zinc/65/17/36/526651736.db2.gz GEYANLOSUTWOJO-UHFFFAOYSA-N 0 0 441.900 4.637 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012624125 526653982 /nfs/dbraw/zinc/65/39/82/526653982.db2.gz VNJUPNOBWXAWOG-UHFFFAOYSA-N 0 0 431.380 4.652 50 0 IJAARN O=C(c1ccc(I)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012932180 526696928 /nfs/dbraw/zinc/69/69/28/526696928.db2.gz ARVVYWHFZNIDAM-AWEZNQCLSA-N 0 0 448.329 4.921 50 0 IJAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000011820446 526708942 /nfs/dbraw/zinc/70/89/42/526708942.db2.gz LTCNULFQTGUSMH-HXUWFJFHSA-N 0 0 425.488 4.862 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nccnc2N2CCCC2)cc1 ZINC000033313056 526712163 /nfs/dbraw/zinc/71/21/63/526712163.db2.gz VGYVMELRQFVOIK-UHFFFAOYSA-N 0 0 426.442 4.693 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCN(c2ccccc2)CC1 ZINC000015785913 526728271 /nfs/dbraw/zinc/72/82/71/526728271.db2.gz NMSWLXIUIXGBQQ-UHFFFAOYSA-N 0 0 446.595 4.748 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000021729687 526730368 /nfs/dbraw/zinc/73/03/68/526730368.db2.gz YUUMJQHHNRWYRE-UHFFFAOYSA-N 0 0 443.528 4.915 50 0 IJAARN O=C(NCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000021158771 526732549 /nfs/dbraw/zinc/73/25/49/526732549.db2.gz MQXPVFWPCYWWKW-UHFFFAOYSA-N 0 0 442.538 4.757 50 0 IJAARN O=C(c1ccc2ccccc2c1)N1CCC2(CC1)SCC(=O)N2CCc1ccccc1 ZINC000034928313 526733852 /nfs/dbraw/zinc/73/38/52/526733852.db2.gz QUECMAFHZUOEOR-UHFFFAOYSA-N 0 0 430.573 4.590 50 0 IJAARN O=C(NCc1ccccc1)Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000034737195 526734301 /nfs/dbraw/zinc/73/43/01/526734301.db2.gz ZEPBGWWSELKOEI-UHFFFAOYSA-N 0 0 432.499 4.980 50 0 IJAARN O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1 ZINC000036054677 526737257 /nfs/dbraw/zinc/73/72/57/526737257.db2.gz SVQVFFWYCMKKLI-PKTZIBPZSA-N 0 0 436.914 4.651 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1F ZINC000012745292 526754996 /nfs/dbraw/zinc/75/49/96/526754996.db2.gz ZOYNMOUGJKSUBD-GOSISDBHSA-N 0 0 449.320 4.525 50 0 IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[C@@]5(O)CCCC[C@H]5C4)c(C)c3cc2c1C ZINC000012864238 526781496 /nfs/dbraw/zinc/78/14/96/526781496.db2.gz HCOCIDUQXBEECN-QYBDOPJKSA-N 0 0 437.536 4.551 50 0 biogenic IJAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012537292 526783811 /nfs/dbraw/zinc/78/38/11/526783811.db2.gz SCKMTQPPZCNDBZ-UHFFFAOYSA-N 0 0 437.927 4.599 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC(C(=O)Nc4cccc(Br)c4)CC3)c2c1C ZINC000032960171 526790143 /nfs/dbraw/zinc/79/01/43/526790143.db2.gz ZRDBIKUAHXDUBO-UHFFFAOYSA-N 0 0 443.345 4.766 50 0 IJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC[C@H](C)c1ccccc1 ZINC000033173866 526861620 /nfs/dbraw/zinc/86/16/20/526861620.db2.gz MDWCKYZFQJNFGH-NSHDSACASA-N 0 0 429.489 4.547 50 0 IJAARN O=C(c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCCC1 ZINC000034899096 526866850 /nfs/dbraw/zinc/86/68/50/526866850.db2.gz AUGIXHMUHCHGTI-GFCCVEGCSA-N 0 0 431.380 4.887 50 0 IJAARN Cc1sc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299371 526875581 /nfs/dbraw/zinc/87/55/81/526875581.db2.gz SGHHEIJEYZWXNS-UHFFFAOYSA-N 0 0 434.436 4.656 50 0 IJAARN O=C(c1cnccn1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000020969267 526883181 /nfs/dbraw/zinc/88/31/81/526883181.db2.gz ZJKXTTLCZJGEBS-ZDUSSCGKSA-N 0 0 435.336 4.733 50 0 IJAARN O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000012573332 526909374 /nfs/dbraw/zinc/90/93/74/526909374.db2.gz QWFMJPGOEBTMEB-UHFFFAOYSA-N 0 0 446.758 4.654 50 0 IJAARN Clc1ccc(-c2noc3ncnc(N4CCN(c5ccc(Cl)cc5)CC4)c23)cc1 ZINC000020329996 526937617 /nfs/dbraw/zinc/93/76/17/526937617.db2.gz MNAGJDQIXGUFHD-UHFFFAOYSA-N 0 0 426.307 4.918 50 0 IJAARN O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012916719 526942173 /nfs/dbraw/zinc/94/21/73/526942173.db2.gz ZMGZYDVLFRCIAN-UHFFFAOYSA-N 0 0 443.547 4.546 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266246 526952519 /nfs/dbraw/zinc/95/25/19/526952519.db2.gz UWFJIKWTBNWJGC-OAQYLSRUSA-N 0 0 437.858 4.814 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)OCc1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000022769112 526955323 /nfs/dbraw/zinc/95/53/23/526955323.db2.gz LPHSKQZIVWFYPQ-UHFFFAOYSA-N 0 0 436.247 4.542 50 0 IJAARN O=C(N[C@@H]1CCc2ccccc21)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012708164 526957355 /nfs/dbraw/zinc/95/73/55/526957355.db2.gz AOSFJARPQUPBHE-RUZDIDTESA-N 0 0 438.575 4.652 50 0 IJAARN Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCCCN1CCOCC1 ZINC000021798076 526985125 /nfs/dbraw/zinc/98/51/25/526985125.db2.gz VUGUONZVJWPPHR-UHFFFAOYSA-N 0 0 447.970 4.875 50 0 IJAARN O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)NCc1ccccc1 ZINC000034688191 527011315 /nfs/dbraw/zinc/01/13/15/527011315.db2.gz JCDAQOXKWOXIBE-JCMHNJIXSA-N 0 0 445.519 4.619 50 0 IJAARN O=C1COc2cc(Cl)ccc2N1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000023126180 527013018 /nfs/dbraw/zinc/01/30/18/527013018.db2.gz WDMVJQFRYBJEHU-UHFFFAOYSA-N 0 0 447.878 4.895 50 0 IJAARN Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)n(CC(C)C)c1C ZINC000023264650 527016321 /nfs/dbraw/zinc/01/63/21/527016321.db2.gz ZSYXDSQGWNEIEI-GOSISDBHSA-N 0 0 426.542 4.812 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(SC(F)F)cc2)n(C[C@@H]2CCCO2)c1C ZINC000012520402 527018385 /nfs/dbraw/zinc/01/83/85/527018385.db2.gz MKIZCDMBNLWGSI-HNNXBMFYSA-N 0 0 427.542 4.724 50 0 IJAARN O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[nH]c(SCc3ccccc3Cl)nc2N1 ZINC000020464039 527023528 /nfs/dbraw/zinc/02/35/28/527023528.db2.gz QTBXEUCUVXSJFQ-LBPRGKRZSA-N 0 0 433.867 4.880 50 0 IJAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1Cc1ccc(F)cc1 ZINC000012538655 527026125 /nfs/dbraw/zinc/02/61/25/527026125.db2.gz YCDOLJGUOJUQEQ-HXUWFJFHSA-N 0 0 429.495 4.771 50 0 IJAARN O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784849 527031363 /nfs/dbraw/zinc/03/13/63/527031363.db2.gz HGLZPIHOIFZBIG-OAHLLOKOSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(CSc1ccccc1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012469246 527040257 /nfs/dbraw/zinc/04/02/57/527040257.db2.gz KUZJMXJNRNPZNL-GOSISDBHSA-N 0 0 443.012 4.519 50 0 IJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000012696036 527053718 /nfs/dbraw/zinc/05/37/18/527053718.db2.gz UDUZFJKJEHTWCU-QGZVFWFLSA-N 0 0 434.546 4.792 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012374930 527080887 /nfs/dbraw/zinc/08/08/87/527080887.db2.gz DKLMVYNKCVRSQM-UHFFFAOYSA-N 0 0 442.566 4.985 50 0 IJAARN O=C(CSc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1c[nH]c2ccccc21 ZINC000013121247 527086533 /nfs/dbraw/zinc/08/65/33/527086533.db2.gz QAONQUWZLWKLDT-UHFFFAOYSA-N 0 0 437.956 4.977 50 0 IJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)N(Cc1ccco1)Cc1ccccc1 ZINC000012534445 527091487 /nfs/dbraw/zinc/09/14/87/527091487.db2.gz ZZHSJLPJUNIMDO-UHFFFAOYSA-N 0 0 438.940 4.835 50 0 IJAARN O=C1OCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1-c1ccc(SC(F)F)cc1 ZINC000012557410 527096386 /nfs/dbraw/zinc/09/63/86/527096386.db2.gz AWLIMMBMGZQEEY-HNNXBMFYSA-N 0 0 437.468 4.796 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000012466559 527110132 /nfs/dbraw/zinc/11/01/32/527110132.db2.gz QMJQOLLTWGYRMA-GFCCVEGCSA-N 0 0 439.773 4.500 50 0 IJAARN Cc1nc2c(s1)c(-c1ccccc1)nnc2SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000012232780 527113642 /nfs/dbraw/zinc/11/36/42/527113642.db2.gz YTDHIFLQVGUZAO-UHFFFAOYSA-N 0 0 436.518 4.521 50 0 IJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000012342268 527158708 /nfs/dbraw/zinc/15/87/08/527158708.db2.gz QBPUADFJFRERPD-UHFFFAOYSA-N 0 0 434.293 4.709 50 0 IJAARN O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000012429025 527161713 /nfs/dbraw/zinc/16/17/13/527161713.db2.gz FHOHFKBOSVZFKJ-LBEMBMLNSA-N 0 0 448.563 4.909 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000016400295 527162538 /nfs/dbraw/zinc/16/25/38/527162538.db2.gz RJRDCHHHGGLZNS-QHCPKHFHSA-N 0 0 432.545 4.631 50 0 IJAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccs1 ZINC000012629038 527169326 /nfs/dbraw/zinc/16/93/26/527169326.db2.gz ROEOKQZUJYQXEK-UHFFFAOYSA-N 0 0 438.940 4.742 50 0 IJAARN O=C(Nc1ccc(F)cc1)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000033068282 527202001 /nfs/dbraw/zinc/20/20/01/527202001.db2.gz ARKXYUOKUCZRCK-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022924350 527203600 /nfs/dbraw/zinc/20/36/00/527203600.db2.gz LSPBUDHYJFFYGD-ZRFNAWPJSA-N 0 0 429.539 4.837 50 0 IJAARN O=C(Nc1ccc(F)cc1F)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104120 527209603 /nfs/dbraw/zinc/20/96/03/527209603.db2.gz YKVMTEJNJKMRTM-UHFFFAOYSA-N 0 0 439.441 4.649 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000012908348 527225681 /nfs/dbraw/zinc/22/56/81/527225681.db2.gz HMJSWYHEMMVBOE-UHFFFAOYSA-N 0 0 433.409 4.668 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000020522722 527256315 /nfs/dbraw/zinc/25/63/15/527256315.db2.gz LDLVEDCLLJAGJW-UHFFFAOYSA-N 0 0 449.454 4.828 50 0 IJAARN O=S(=O)(c1ccc(NC(=S)Nc2ccc(F)cc2)cc1)N1CCCc2ccccc21 ZINC000020533683 527277702 /nfs/dbraw/zinc/27/77/02/527277702.db2.gz XCQUMTIZXHUWSX-UHFFFAOYSA-N 0 0 441.553 4.776 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1 ZINC000035512025 527345143 /nfs/dbraw/zinc/34/51/43/527345143.db2.gz ZDHJVEXBDWTXCR-AWEZNQCLSA-N 0 0 444.919 4.603 50 0 IJAARN O=C(Nc1cccc(I)c1)c1cccnc1SCC(F)(F)F ZINC000022522767 527356350 /nfs/dbraw/zinc/35/63/50/527356350.db2.gz GGISEYBQPCFLDU-UHFFFAOYSA-N 0 0 438.212 4.593 50 0 IJAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1ccccn1)nc2-c1ccccc1Cl ZINC000035929669 527437603 /nfs/dbraw/zinc/43/76/03/527437603.db2.gz CFSQBCLHPZYTMT-UHFFFAOYSA-N 0 0 427.899 4.725 50 0 IJAARN O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccccc3)c21 ZINC000012676258 527438673 /nfs/dbraw/zinc/43/86/73/527438673.db2.gz DTBUVWRXMWFIGP-IBGZPJMESA-N 0 0 445.544 4.760 50 0 IJAARN O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1Sc1nnnn1-c1ccccc1 ZINC000020808334 527441605 /nfs/dbraw/zinc/44/16/05/527441605.db2.gz ASCFSVMQNNCTOA-UHFFFAOYSA-N 0 0 431.908 4.975 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000012754228 527454498 /nfs/dbraw/zinc/45/44/98/527454498.db2.gz UGTYPNCCILWRIJ-AWEZNQCLSA-N 0 0 447.343 4.872 50 0 IJAARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccccc1)CN(C[C@H]1CCCO1)CO3 ZINC000012442621 527462868 /nfs/dbraw/zinc/46/28/68/527462868.db2.gz YMOIUWRJOBGOHJ-OAHLLOKOSA-N 0 0 431.410 4.810 50 0 biogenic IJAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccc(CN2CCCC2=O)c1 ZINC000024344701 527463330 /nfs/dbraw/zinc/46/33/30/527463330.db2.gz PLVAHNTUFPIBKZ-UHFFFAOYSA-N 0 0 443.334 4.613 50 0 IJAARN O=c1c2ccccc2nc(CSc2n[nH]c(-c3ccccc3)n2)n1CCc1ccccc1 ZINC000012811868 527466012 /nfs/dbraw/zinc/46/60/12/527466012.db2.gz YHBSDGRYXAGVDG-UHFFFAOYSA-N 0 0 439.544 4.717 50 0 IJAARN O=C(NC(NCCc1c[nH]c2ccccc12)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000012375903 527467128 /nfs/dbraw/zinc/46/71/28/527467128.db2.gz RHRNTQVDHHXMDD-UHFFFAOYSA-N 0 0 429.364 4.551 50 0 IJAARN O=c1c2nc(N3CCCC3)sc2c(-c2ccco2)nn1Cc1cccc2ccccc21 ZINC000023109013 527470633 /nfs/dbraw/zinc/47/06/33/527470633.db2.gz SUGWTACVEHBZJL-UHFFFAOYSA-N 0 0 428.517 4.915 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012675549 527499384 /nfs/dbraw/zinc/49/93/84/527499384.db2.gz ALOYZPAXLKSJBI-LJQANCHMSA-N 0 0 449.532 4.505 50 0 IJAARN O=C(NC1CCCCC1)[C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1 ZINC000033266394 527516487 /nfs/dbraw/zinc/51/64/87/527516487.db2.gz IPSXUMVWCMEQEV-SFHVURJKSA-N 0 0 437.975 4.715 50 0 IJAARN Nc1cccc2c1C(=O)N(C(=O)c1oc3ccccc3c1CSCc1ccccc1)C2=O ZINC000002653081 527522619 /nfs/dbraw/zinc/52/26/19/527522619.db2.gz LLFCLZRNKVONCC-UHFFFAOYSA-N 0 0 442.496 4.885 50 0 IJAARN Cn1cnnc1CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000012929860 527524647 /nfs/dbraw/zinc/52/46/47/527524647.db2.gz GTJQAQUGVUNHOG-UHFFFAOYSA-N 0 0 443.001 4.866 50 0 IJAARN O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000016650678 527534302 /nfs/dbraw/zinc/53/43/02/527534302.db2.gz KQXBAJSSGFIHTC-UHFFFAOYSA-N 0 0 432.977 4.730 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012611952 527540988 /nfs/dbraw/zinc/54/09/88/527540988.db2.gz HQSYXFVNJNVFKN-UHFFFAOYSA-N 0 0 428.540 4.622 50 0 IJAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ccccc2Cl)CC1 ZINC000012517373 527601173 /nfs/dbraw/zinc/60/11/73/527601173.db2.gz QWNJVCHJKZXNPD-VOTSOKGWSA-N 0 0 433.335 4.517 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000024634147 527618733 /nfs/dbraw/zinc/61/87/33/527618733.db2.gz GXKHBKBIJRSRJE-UHFFFAOYSA-N 0 0 441.575 4.813 50 0 IJAARN OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000012613175 527625093 /nfs/dbraw/zinc/62/50/93/527625093.db2.gz CLZYVPWFMUHSAU-NRFANRHFSA-N 0 0 440.440 4.867 50 0 IJAARN FC(F)(F)c1cccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc43)CC2)c1 ZINC000020354994 527685430 /nfs/dbraw/zinc/68/54/30/527685430.db2.gz DFLJNFKNUXAVIX-UHFFFAOYSA-N 0 0 449.480 4.961 50 0 IJAARN FC(F)(F)c1nc2ccccc2c(Nc2ccc3nc(N4CCOCC4)sc3c2)n1 ZINC000012524869 527690733 /nfs/dbraw/zinc/69/07/33/527690733.db2.gz KGDUFJMGSWBNGP-UHFFFAOYSA-N 0 0 431.443 4.839 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000948496 535121504 /nfs/dbraw/zinc/12/15/04/535121504.db2.gz JRQCWQHJCLPLNY-UHFFFAOYSA-N 0 0 426.504 4.514 50 0 IJAARN CCOc1ccc(-c2ccc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nn2)cc1 ZINC000013664592 535691489 /nfs/dbraw/zinc/69/14/89/535691489.db2.gz GXTHRVCMTPCTOM-UHFFFAOYSA-N 0 0 437.931 4.550 50 0 IJAARN CCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1-c1ccc(N2CCC(C)CC2)cc1 ZINC000008671669 536154188 /nfs/dbraw/zinc/15/41/88/536154188.db2.gz CHKUGIDCFVWHEU-UHFFFAOYSA-N 0 0 431.515 4.509 50 0 IJAARN Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)NCc2ccco2)n1-c1ccccc1 ZINC000009111750 555509176 /nfs/dbraw/zinc/50/91/76/555509176.db2.gz SLZIEJZXFNULHX-GOSISDBHSA-N 0 0 448.548 4.545 50 0 IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCc2ccc(C)cc2)cc1 ZINC000000623271 555511364 /nfs/dbraw/zinc/51/13/64/555511364.db2.gz FQEHIGXNPXQYDC-UHFFFAOYSA-N 0 0 449.547 4.935 50 0 IJAARN CCOC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(Br)cc1)c2=O ZINC000000627246 555513041 /nfs/dbraw/zinc/51/30/41/555513041.db2.gz VADJPSXSSTVREJ-UHFFFAOYSA-N 0 0 433.254 4.598 50 0 IJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)c(Cl)cc12 ZINC000000627862 555513471 /nfs/dbraw/zinc/51/34/71/555513471.db2.gz CKKVTZQUCWJJQV-OAQYLSRUSA-N 0 0 443.883 4.611 50 0 IJAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3S(C)(=O)=O)cc2c1 ZINC000000644920 555520211 /nfs/dbraw/zinc/52/02/11/555520211.db2.gz NZUZWIIVPRUDEP-NRFANRHFSA-N 0 0 443.956 4.706 50 0 IJAARN COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)cc1 ZINC000000646313 555521007 /nfs/dbraw/zinc/52/10/07/555521007.db2.gz NHENESHBPCGZLX-UHFFFAOYSA-N 0 0 433.327 4.907 50 0 IJAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000000653447 555523830 /nfs/dbraw/zinc/52/38/30/555523830.db2.gz UZTVSBAPMAGQJA-UHFFFAOYSA-N 0 0 430.529 4.669 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1OC ZINC000000656516 555525055 /nfs/dbraw/zinc/52/50/55/555525055.db2.gz QBDTXHJYKYHOSM-UHFFFAOYSA-N 0 0 428.444 4.900 50 0 IJAARN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000000666095 555528596 /nfs/dbraw/zinc/52/85/96/555528596.db2.gz AQMPGXYZXMZQRP-UXHICEINSA-N 0 0 436.577 4.536 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000674301 555533098 /nfs/dbraw/zinc/53/30/98/555533098.db2.gz JTHZGKSHNRNWBZ-GXTWGEPZSA-N 0 0 442.800 4.859 50 0 IJAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)Nc2cccc3ccccc32)s1 ZINC000000679283 555536563 /nfs/dbraw/zinc/53/65/63/555536563.db2.gz VFPOJFGLBAFSPH-UHFFFAOYSA-N 0 0 448.573 4.993 50 0 IJAARN CCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)c2C(=O)OC)cc1 ZINC000000680045 555537154 /nfs/dbraw/zinc/53/71/54/555537154.db2.gz YJHYFONMWMFLEI-UHFFFAOYSA-N 0 0 449.484 4.959 50 0 IJAARN COc1ccccc1OC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000000682571 555538252 /nfs/dbraw/zinc/53/82/52/555538252.db2.gz MVYQMDMWTIPWKN-SNVBAGLBSA-N 0 0 430.092 4.593 50 0 IJAARN CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1C ZINC000000684462 555539193 /nfs/dbraw/zinc/53/91/93/555539193.db2.gz JXZQINLPHRKCPQ-QFIPXVFZSA-N 0 0 436.537 4.802 50 0 IJAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C(F)(F)F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000684872 555539525 /nfs/dbraw/zinc/53/95/25/555539525.db2.gz VGMZNZXPWNVPJE-SFHVURJKSA-N 0 0 432.427 4.723 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1Cl ZINC000000687435 555540464 /nfs/dbraw/zinc/54/04/64/555540464.db2.gz XDQHNNJMMUXOQL-UHFFFAOYSA-N 0 0 426.851 4.885 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)N2C(=O)CCSC2=N1 ZINC000000702237 555542921 /nfs/dbraw/zinc/54/29/21/555542921.db2.gz KIEUIMPWDWIOAS-HXUWFJFHSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2OCc2ccccc2)cc1 ZINC000000706401 555544727 /nfs/dbraw/zinc/54/47/27/555544727.db2.gz NOULZMPUNHBCQW-VWLOTQADSA-N 0 0 442.515 4.945 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000000719840 555549364 /nfs/dbraw/zinc/54/93/64/555549364.db2.gz VGBAESYZGWCPOJ-NSHDSACASA-N 0 0 426.332 4.710 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000725068 555551374 /nfs/dbraw/zinc/55/13/74/555551374.db2.gz NCAABRXUPXTMRJ-INIZCTEOSA-N 0 0 442.755 4.846 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3cc(C)ccc3C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729390 555552600 /nfs/dbraw/zinc/55/26/00/555552600.db2.gz XUJZOPWPXQIPOU-JWQCQUIFSA-N 0 0 433.504 4.865 50 0 IJAARN CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)Nc3ccc(Cl)cn3)nc21 ZINC000000781505 555555293 /nfs/dbraw/zinc/55/52/93/555555293.db2.gz WKYAPYGWXVHXLB-MRXNPFEDSA-N 0 0 440.960 4.947 50 0 IJAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 ZINC000000783154 555555633 /nfs/dbraw/zinc/55/56/33/555555633.db2.gz ZDTLOLLUWXNNLN-DEOSSOPVSA-N 0 0 444.535 4.854 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000798560 555558713 /nfs/dbraw/zinc/55/87/13/555558713.db2.gz SRJRRQHXELJALB-UHFFFAOYSA-N 0 0 442.515 4.616 50 0 IJAARN CC(C)CNC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000845183 555569317 /nfs/dbraw/zinc/56/93/17/555569317.db2.gz JBOZCAZEFOBKNQ-UHFFFAOYSA-N 0 0 441.251 4.563 50 0 IJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1OC ZINC000000865988 555573867 /nfs/dbraw/zinc/57/38/67/555573867.db2.gz WMWNRYMLTKMMOT-QFBILLFUSA-N 0 0 446.429 4.813 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866523 555574039 /nfs/dbraw/zinc/57/40/39/555574039.db2.gz KXKLLPGYCJYKGF-WBMJQRKESA-N 0 0 436.415 4.586 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1OC ZINC000000881550 555577531 /nfs/dbraw/zinc/57/75/31/555577531.db2.gz IXNOYKNRHBJZDU-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901248 555581301 /nfs/dbraw/zinc/58/13/01/555581301.db2.gz WKABFGCUEJXGPQ-CQSZACIVSA-N 0 0 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555589165 /nfs/dbraw/zinc/58/91/65/555589165.db2.gz QBDIPEDQXVLQIF-AWEZNQCLSA-N 0 0 445.260 4.910 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(CC)cc3)c2c1=O ZINC000000959711 555590926 /nfs/dbraw/zinc/59/09/26/555590926.db2.gz LVRHBBJCMYKYGD-UHFFFAOYSA-N 0 0 433.533 4.725 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000000987062 555595045 /nfs/dbraw/zinc/59/50/45/555595045.db2.gz RUWKXVLJTYKGPA-UHFFFAOYSA-N 0 0 427.353 4.666 50 0 IJAARN CC(C)CNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000000999607 555600182 /nfs/dbraw/zinc/60/01/82/555600182.db2.gz AKMGOLQNAPHUMG-GJZGRUSLSA-N 0 0 445.283 4.692 50 0 IJAARN CCOc1cccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2C)c1 ZINC000001013255 555602297 /nfs/dbraw/zinc/60/22/97/555602297.db2.gz NYJWBWANCOQNHA-UHFFFAOYSA-N 0 0 432.343 4.618 50 0 IJAARN O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1NC(=O)c1ccccc1Cl ZINC000001024727 555604358 /nfs/dbraw/zinc/60/43/58/555604358.db2.gz AHJBPPNJPAJRNX-UHFFFAOYSA-N 0 0 426.807 4.715 50 0 IJAARN Cc1ccccc1-c1nc(SCC(=O)Nc2ccc(Br)c(Cl)c2)n[nH]1 ZINC000001051091 555612995 /nfs/dbraw/zinc/61/29/95/555612995.db2.gz FFWWSAGMDVHSEF-UHFFFAOYSA-N 0 0 437.750 4.927 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3sc4cccc(F)c4c3Cl)sc2c1 ZINC000001055133 555614367 /nfs/dbraw/zinc/61/43/67/555614367.db2.gz CSXAQMRZRLVZNL-UHFFFAOYSA-N 0 0 440.930 4.959 50 0 IJAARN COc1ccc(OC)c([C@@H]2Cc3[nH]c(C(=O)OC4CCC(C)CC4)c(C)c3C(=O)C2)c1 ZINC000001058330 555615164 /nfs/dbraw/zinc/61/51/64/555615164.db2.gz LOMDEZWCJLALIB-ARWYELJZSA-N 0 0 425.525 4.989 50 0 IJAARN CCOC(=O)c1cccc(COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000001058622 555615381 /nfs/dbraw/zinc/61/53/81/555615381.db2.gz DPCWUCIWTFNWGI-UHFFFAOYSA-N 0 0 428.444 4.937 50 0 IJAARN O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001062141 555616707 /nfs/dbraw/zinc/61/67/07/555616707.db2.gz YWACYKLNIFBKNK-UHFFFAOYSA-N 0 0 425.487 4.742 50 0 IJAARN Cc1nc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1Br ZINC000001068044 555619274 /nfs/dbraw/zinc/61/92/74/555619274.db2.gz XFNLRRABSWXZIS-UHFFFAOYSA-N 0 0 440.366 4.798 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000001067943 555619369 /nfs/dbraw/zinc/61/93/69/555619369.db2.gz PEZVDUHFMOGEAN-PKOBYXMFSA-N 0 0 443.429 4.590 50 0 IJAARN Cc1ccccc1OCC(=O)NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000001069455 555620276 /nfs/dbraw/zinc/62/02/76/555620276.db2.gz GSTPWIVINRGHPK-UHFFFAOYSA-N 0 0 426.350 4.804 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@H]2c2ccccc2OC)cc1 ZINC000001077468 555625021 /nfs/dbraw/zinc/62/50/21/555625021.db2.gz POQGTRAJMRVUPN-RPWUZVMVSA-N 0 0 431.488 4.716 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000001079768 555625973 /nfs/dbraw/zinc/62/59/73/555625973.db2.gz PMKKRPYIRRYTRA-QHCPKHFHSA-N 0 0 442.353 4.545 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000001092964 555627499 /nfs/dbraw/zinc/62/74/99/555627499.db2.gz QEOSHMVYQJDVCF-QUESLEJDSA-N 0 0 443.502 4.980 50 0 IJAARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000001103649 555629054 /nfs/dbraw/zinc/62/90/54/555629054.db2.gz AIXQTZZLRRIGQE-JLHYYAGUSA-N 0 0 436.533 4.810 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CSCc2ccccc2)n1C ZINC000001109708 555630768 /nfs/dbraw/zinc/63/07/68/555630768.db2.gz HSEJMZINFANQRJ-UHFFFAOYSA-N 0 0 449.001 4.641 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1Cl ZINC000001110879 555631428 /nfs/dbraw/zinc/63/14/28/555631428.db2.gz BZCZLURVPFXIPD-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN CN(c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1)S(C)(=O)=O ZINC000001115125 555633959 /nfs/dbraw/zinc/63/39/59/555633959.db2.gz FNBDQMAKHCIPCP-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN CCc1ccc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)cc1 ZINC000001115955 555634490 /nfs/dbraw/zinc/63/44/90/555634490.db2.gz OXHYBUBKBWKIKM-UHFFFAOYSA-N 0 0 449.210 4.890 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000001118356 555635869 /nfs/dbraw/zinc/63/58/69/555635869.db2.gz FVRAHAQDRVOSGF-UHFFFAOYSA-N 0 0 438.549 4.809 50 0 IJAARN O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Br)c1 ZINC000001122246 555638517 /nfs/dbraw/zinc/63/85/17/555638517.db2.gz KPHCPLXDDOHICO-UHFFFAOYSA-N 0 0 448.320 4.855 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000001128742 555643027 /nfs/dbraw/zinc/64/30/27/555643027.db2.gz FEWKNWCZZUFSIY-OAHLLOKOSA-N 0 0 441.512 4.895 50 0 aggregator IJAARN Cc1c2cc(C)ccc2oc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2 ZINC000001128897 555643119 /nfs/dbraw/zinc/64/31/19/555643119.db2.gz MTPRIXVIKGKWOE-HNNXBMFYSA-N 0 0 438.549 4.761 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000001134523 555646344 /nfs/dbraw/zinc/64/63/44/555646344.db2.gz VDJYYPSFPRQYER-CQSZACIVSA-N 0 0 435.387 4.849 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000001137770 555648014 /nfs/dbraw/zinc/64/80/14/555648014.db2.gz IERIKDYWOIPOGO-UHFFFAOYSA-N 0 0 440.883 4.870 50 0 IJAARN COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccccc2)cc(C(=O)OC)c1 ZINC000001141079 555650061 /nfs/dbraw/zinc/65/00/61/555650061.db2.gz NDWLRCOBVZZBOV-UHFFFAOYSA-N 0 0 435.501 4.804 50 0 IJAARN O=C(Nc1nnc(SCc2cccc3ccccc32)s1)[C@@H]1COc2ccccc2O1 ZINC000001142326 555650693 /nfs/dbraw/zinc/65/06/93/555650693.db2.gz YFYJYEWTBODQKC-IBGZPJMESA-N 0 0 435.530 4.762 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cc(OC)cc(OC)c1 ZINC000001143273 555651193 /nfs/dbraw/zinc/65/11/93/555651193.db2.gz VLXVCYYIGBVJJG-UHFFFAOYSA-N 0 0 446.960 4.675 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000001143179 555651291 /nfs/dbraw/zinc/65/12/91/555651291.db2.gz FFIVUXRRUCSBEK-UHFFFAOYSA-N 0 0 427.526 4.820 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)COc2ccccc2C)c(Cl)c1 ZINC000001146892 555654090 /nfs/dbraw/zinc/65/40/90/555654090.db2.gz BWUMWYUIYADRKE-UHFFFAOYSA-N 0 0 438.911 4.992 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1-c1ccc(C)cc1 ZINC000001146893 555654114 /nfs/dbraw/zinc/65/41/14/555654114.db2.gz DISGFEURZBLYMM-UHFFFAOYSA-N 0 0 438.553 4.569 50 0 IJAARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc(Br)cc2)C(=O)O[C@H]1c1ccccc1 ZINC000001150343 555656123 /nfs/dbraw/zinc/65/61/23/555656123.db2.gz BPBIGKXXPPRDGP-PGRDOPGGSA-N 0 0 429.310 4.922 50 0 IJAARN Cc1ccc(N(Cc2ccc(C(=O)NC3CCCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000001152863 555657348 /nfs/dbraw/zinc/65/73/48/555657348.db2.gz YLNRNGZDDIYQRE-UHFFFAOYSA-N 0 0 428.598 4.722 50 0 IJAARN O=C(COc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Br)cc1 ZINC000001155240 555658463 /nfs/dbraw/zinc/65/84/63/555658463.db2.gz IVVQFQBBDZFSNE-UHFFFAOYSA-N 0 0 436.261 4.511 50 0 IJAARN CCOc1ccc(Br)c([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000001159459 555660901 /nfs/dbraw/zinc/66/09/01/555660901.db2.gz SDMDIPDESVTJJY-KRWDZBQOSA-N 0 0 445.342 4.925 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000001161253 555661779 /nfs/dbraw/zinc/66/17/79/555661779.db2.gz KOODMSUTQVDWNQ-UHFFFAOYSA-N 0 0 444.940 4.567 50 0 IJAARN O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1cccc(F)c1 ZINC000001169223 555665666 /nfs/dbraw/zinc/66/56/66/555665666.db2.gz DKQOYZNYEKTNSP-UHFFFAOYSA-N 0 0 441.491 4.840 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000001173019 555668124 /nfs/dbraw/zinc/66/81/24/555668124.db2.gz PMNPQMWKHXMTPR-UHFFFAOYSA-N 0 0 433.249 4.603 50 0 IJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001177620 555670235 /nfs/dbraw/zinc/67/02/35/555670235.db2.gz DNMJLEKOCGDLPM-FQEVSTJZSA-N 0 0 439.298 4.839 50 0 IJAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001181724 555672235 /nfs/dbraw/zinc/67/22/35/555672235.db2.gz PXGOMGIXCYJMKV-UHFFFAOYSA-N 0 0 445.500 4.821 50 0 IJAARN CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)cc1 ZINC000001185477 555673993 /nfs/dbraw/zinc/67/39/93/555673993.db2.gz FEEHIRVUVQEXJE-UHFFFAOYSA-N 0 0 444.466 4.915 50 0 IJAARN COc1ccc(CCNC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC ZINC000001186856 555674592 /nfs/dbraw/zinc/67/45/92/555674592.db2.gz YAIWXNHRDYHHPJ-XMMPIXPASA-N 0 0 429.560 4.986 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cccc(Br)c2)NC(=S)N1 ZINC000001190266 555675608 /nfs/dbraw/zinc/67/56/08/555675608.db2.gz CFQHKQPWJVMXDU-MRXNPFEDSA-N 0 0 436.762 4.534 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001190710 555675729 /nfs/dbraw/zinc/67/57/29/555675729.db2.gz BSWFLAFDZSPXJS-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2CCCCC2)c(Cl)cc1Cl ZINC000001197021 555677333 /nfs/dbraw/zinc/67/73/33/555677333.db2.gz UFDQHAMBQKKIHE-UHFFFAOYSA-N 0 0 427.353 4.857 50 0 IJAARN O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)c1ccccc1 ZINC000001198700 555677934 /nfs/dbraw/zinc/67/79/34/555677934.db2.gz MAIXGFIMNUUHMH-UHFFFAOYSA-N 0 0 432.570 4.970 50 0 IJAARN CCN(CC)C(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(C(N)=O)c1C ZINC000001200814 555678450 /nfs/dbraw/zinc/67/84/50/555678450.db2.gz GRRXVHXJZJVDHF-UHFFFAOYSA-N 0 0 443.356 4.588 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2c(OC)ccc3ccccc32)cc1 ZINC000001209744 555681927 /nfs/dbraw/zinc/68/19/27/555681927.db2.gz LMQCDSWQDAEEEQ-HSZRJFAPSA-N 0 0 447.560 4.679 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000001214137 555683388 /nfs/dbraw/zinc/68/33/88/555683388.db2.gz XELMLWONEGVQNO-CABCVRRESA-N 0 0 435.837 4.522 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000001214139 555683417 /nfs/dbraw/zinc/68/34/17/555683417.db2.gz XELMLWONEGVQNO-GJZGRUSLSA-N 0 0 435.837 4.522 50 0 IJAARN CCOc1c(Br)cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OC ZINC000001215883 555683958 /nfs/dbraw/zinc/68/39/58/555683958.db2.gz AOHNSEAYCVWKQG-BLDRAUNHSA-N 0 0 428.282 4.866 50 0 IJAARN CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001219155 555685068 /nfs/dbraw/zinc/68/50/68/555685068.db2.gz ITKAOZYJCAAAEN-UHFFFAOYSA-N 0 0 448.894 4.887 50 0 IJAARN CCNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000001219236 555685317 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COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)nc1 ZINC000002755692 555811196 /nfs/dbraw/zinc/81/11/96/555811196.db2.gz FCNHNYUGFASHDU-UHFFFAOYSA-N 0 0 446.290 4.910 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)Cc1ccccc1 ZINC000002758349 555811802 /nfs/dbraw/zinc/81/18/02/555811802.db2.gz YMXFVZVTZMZHOE-UHFFFAOYSA-N 0 0 440.496 4.806 50 0 IJAARN Cc1cccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccccc4F)CC3)nc2)c1 ZINC000034681180 555814381 /nfs/dbraw/zinc/81/43/81/555814381.db2.gz JJLQXWLNRRHVKP-UHFFFAOYSA-N 0 0 447.514 4.526 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000034708367 555823009 /nfs/dbraw/zinc/82/30/09/555823009.db2.gz NQQIOIXQYPKNFP-FTJBHMTQSA-N 0 0 448.607 4.809 50 0 IJAARN CCCCOc1ccccc1C1C(C(=O)OC)=CN(Cc2ccccc2)C=C1C(=O)OC ZINC000002805646 555826360 /nfs/dbraw/zinc/82/63/60/555826360.db2.gz BSDFFTGQWXPSBQ-UHFFFAOYSA-N 0 0 435.520 4.579 50 0 IJAARN Cc1ccc(N2C(=O)C(=Cc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3)NC2=S)cc1 ZINC000034713756 555828257 /nfs/dbraw/zinc/82/82/57/555828257.db2.gz KWKGPRNWBBAYAN-IOMXWXPKSA-N 0 0 433.577 4.787 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccccc2Cl)cc1 ZINC000002817034 555828797 /nfs/dbraw/zinc/82/87/97/555828797.db2.gz XPKOREDAGOAPQA-UHFFFAOYSA-N 0 0 447.000 4.850 50 0 IJAARN COc1ccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCC(C)CC4)n23)cc1OC ZINC000034699576 555832302 /nfs/dbraw/zinc/83/23/02/555832302.db2.gz BJDPXQVWJUPKDL-UHFFFAOYSA-N 0 0 437.931 4.851 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)c(Br)c1 ZINC000002835449 555832623 /nfs/dbraw/zinc/83/26/23/555832623.db2.gz BUNHPJUDROCFNA-UHFFFAOYSA-N 0 0 438.734 4.807 50 0 IJAARN Cc1cccc(C(=O)Nc2nnc(SCC(=O)c3ccc(Br)cc3)s2)c1 ZINC000002836496 555833155 /nfs/dbraw/zinc/83/31/55/555833155.db2.gz HKFKDCJHFLCYAD-UHFFFAOYSA-N 0 0 448.367 4.836 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000002837052 555833747 /nfs/dbraw/zinc/83/37/47/555833747.db2.gz MMIDKWVVPQUSKX-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1 ZINC000002837059 555833776 /nfs/dbraw/zinc/83/37/76/555833776.db2.gz PVXBCUXBPKPWFA-UHFFFAOYSA-N 0 0 444.578 4.522 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)cc1OC ZINC000002840742 555835236 /nfs/dbraw/zinc/83/52/36/555835236.db2.gz XBLHUTQPXVYALE-GOSISDBHSA-N 0 0 432.520 4.707 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)CS(=O)(=O)Cc4ccccc4)cc3)sc2c1 ZINC000002849075 555838428 /nfs/dbraw/zinc/83/84/28/555838428.db2.gz LISLTGOJISSXPJ-UHFFFAOYSA-N 0 0 436.558 4.825 50 0 IJAARN Cc1c(NC(=S)NN(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000002852640 555840117 /nfs/dbraw/zinc/84/01/17/555840117.db2.gz LJYQAOMAZAWVFP-UHFFFAOYSA-N 0 0 429.549 4.524 50 0 IJAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002860608 555844189 /nfs/dbraw/zinc/84/41/89/555844189.db2.gz VRAGBYZFAJYVII-UHFFFAOYSA-N 0 0 429.423 4.783 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000002861707 555845089 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CCc1cccc(C)c1NC(=O)CN(CC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002883345 555856953 /nfs/dbraw/zinc/85/69/53/555856953.db2.gz FEWMUHYGDCBNQU-UHFFFAOYSA-N 0 0 429.369 4.514 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(Cl)c1 ZINC000002890902 555859641 /nfs/dbraw/zinc/85/96/41/555859641.db2.gz MCWKBSQKZXYMGY-UHFFFAOYSA-N 0 0 437.952 4.956 50 0 IJAARN CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000002906346 555861574 /nfs/dbraw/zinc/86/15/74/555861574.db2.gz RVUCZBIDVVFSJO-HNNXBMFYSA-N 0 0 431.330 4.620 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2ccc(OC)cc2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034716368 555865801 /nfs/dbraw/zinc/86/58/01/555865801.db2.gz UJZKTZPAQRBUCU-UXHICEINSA-N 0 0 441.547 4.697 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NCC3CC3)cc2[C@H]1c1cccc(C)c1 ZINC000034717061 555866617 /nfs/dbraw/zinc/86/66/17/555866617.db2.gz KIBKUGYLBKLHQT-AZGAKELHSA-N 0 0 434.580 4.563 50 0 IJAARN COc1cc(-c2nc(C(=O)NCC3CC3)cs2)ccc1OCc1ccc(F)c(F)c1 ZINC000034717322 555867595 /nfs/dbraw/zinc/86/75/95/555867595.db2.gz DICZVWLHQHIEEI-UHFFFAOYSA-N 0 0 430.476 4.816 50 0 IJAARN COc1ccccc1NC(=O)Nc1nnc(COc2ccc(Br)cc2)s1 ZINC000002977699 555870266 /nfs/dbraw/zinc/87/02/66/555870266.db2.gz DJJUBADNJYHRHQ-UHFFFAOYSA-N 0 0 435.303 4.532 50 0 IJAARN CCCOc1ccccc1[C@@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(C)=O ZINC000002977803 555870306 /nfs/dbraw/zinc/87/03/06/555870306.db2.gz OYWVYNMFISEQTQ-QFIPXVFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002979169 555871144 /nfs/dbraw/zinc/87/11/44/555871144.db2.gz CDXURXOPSOYLAZ-UHFFFAOYSA-N 0 0 430.614 4.550 50 0 IJAARN COc1cc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000002979075 555871192 /nfs/dbraw/zinc/87/11/92/555871192.db2.gz RBTLSJRYJZCLDP-UHFFFAOYSA-N 0 0 449.743 4.799 50 0 IJAARN O=C(Oc1ccc(Br)cc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccco1 ZINC000002979371 555871231 /nfs/dbraw/zinc/87/12/31/555871231.db2.gz YMJXAPZXVJGQHH-FOWTUZBSSA-N 0 0 438.233 4.606 50 0 IJAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000003011217 555879119 /nfs/dbraw/zinc/87/91/19/555879119.db2.gz MZDHYSBWENJSLQ-DNVCBOLYSA-N 0 0 444.413 4.833 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2c2ccccc21 ZINC000003018775 555881099 /nfs/dbraw/zinc/88/10/99/555881099.db2.gz UYPPQVXIBQXKQU-ZRDDSIGQSA-N 0 0 430.301 4.590 50 0 IJAARN COC(=O)[C@H](CCSC)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000003202787 555897741 /nfs/dbraw/zinc/89/77/41/555897741.db2.gz JLRUCXVDXPRLRJ-IBGZPJMESA-N 0 0 429.648 4.630 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(Cc2cccn2C)CC3)CC1 ZINC000034756044 555901410 /nfs/dbraw/zinc/90/14/10/555901410.db2.gz FYQFQAQMRCGXNT-UHFFFAOYSA-N 0 0 435.547 4.541 50 0 IJAARN O=C(NCc1ccccc1)N1CCc2nc(N3CCCCC3)nc(Oc3ccccc3)c2C1 ZINC000034757404 555902318 /nfs/dbraw/zinc/90/23/18/555902318.db2.gz GOBZVTKSZRYDIT-UHFFFAOYSA-N 0 0 443.551 4.527 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000003229629 555904865 /nfs/dbraw/zinc/90/48/65/555904865.db2.gz NBLDYFFBWDNROB-HZPDHXFCSA-N 0 0 446.956 4.750 50 0 IJAARN CCOC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)OCC ZINC000003243464 555907710 /nfs/dbraw/zinc/90/77/10/555907710.db2.gz ROCJULXEUQFUMH-UHFFFAOYSA-N 0 0 430.460 4.795 50 0 IJAARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813160 555910065 /nfs/dbraw/zinc/91/00/65/555910065.db2.gz KENFCBNVZFWQTO-MRXNPFEDSA-N 0 0 433.533 4.787 50 0 IJAARN Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034832674 555912961 /nfs/dbraw/zinc/91/29/61/555912961.db2.gz HWKINHBHVWUSJN-UHFFFAOYSA-N 0 0 425.319 4.984 50 0 IJAARN COCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000034835938 555913900 /nfs/dbraw/zinc/91/39/00/555913900.db2.gz XZCDBANUXYGPBJ-UHFFFAOYSA-N 0 0 448.604 4.636 50 0 IJAARN CCCCC(=O)NC1CCC(NC(=O)c2csc(COc3cc(C)cc(C)c3)n2)CC1 ZINC000034905445 555919854 /nfs/dbraw/zinc/91/98/54/555919854.db2.gz IPCVQLQHNPYPOI-UHFFFAOYSA-N 0 0 443.613 4.686 50 0 IJAARN COc1ccc(F)cc1[C@@H]1CCc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2C1 ZINC000034899031 555928571 /nfs/dbraw/zinc/92/85/71/555928571.db2.gz BBDJMMOBQWGMLM-OAQYLSRUSA-N 0 0 447.554 4.856 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921351 555931789 /nfs/dbraw/zinc/93/17/89/555931789.db2.gz FCTOGNSGZGRJNA-UHFFFAOYSA-N 0 0 439.508 4.707 50 0 IJAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000034921647 555932086 /nfs/dbraw/zinc/93/20/86/555932086.db2.gz BKEHNSFBHAKQDC-FQEVSTJZSA-N 0 0 443.613 4.764 50 0 IJAARN Cc1cccc([C@H]2[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924164 555932925 /nfs/dbraw/zinc/93/29/25/555932925.db2.gz FQXIWDGDVLUVPH-RPBOFIJWSA-N 0 0 428.507 4.894 50 0 IJAARN COC(=O)c1ccccc1NCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000003657147 555944522 /nfs/dbraw/zinc/94/45/22/555944522.db2.gz ZYPZDZPHWARCRR-PXNMLYILSA-N 0 0 437.304 4.886 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000004555347 556001037 /nfs/dbraw/zinc/00/10/37/556001037.db2.gz CKLKKWBLEXLAJO-JCQZWOIFSA-N 0 0 429.560 4.905 50 0 IJAARN CC1=C(C(N)=O)[C@@H](c2ccc(C(C)C)cc2)n2nc(SCc3ccccc3F)nc2N1 ZINC000004574826 556001998 /nfs/dbraw/zinc/00/19/98/556001998.db2.gz QJBVFZXJAZBSMZ-HXUWFJFHSA-N 0 0 437.544 4.607 50 0 IJAARN CCCCC1CCC(C(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000004671410 556005954 /nfs/dbraw/zinc/00/59/54/556005954.db2.gz CDCNUTNNEGTDTL-AFMYVXGZSA-N 0 0 426.022 4.852 50 0 IJAARN COc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)sc2c1 ZINC000004757461 556010047 /nfs/dbraw/zinc/01/00/47/556010047.db2.gz YSWRPUBHTMSFCB-MRXNPFEDSA-N 0 0 429.973 4.534 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000004767768 556010891 /nfs/dbraw/zinc/01/08/91/556010891.db2.gz RUINTKZNBQZKCS-UHFFFAOYSA-N 0 0 448.544 4.659 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000006146049 556078164 /nfs/dbraw/zinc/07/81/64/556078164.db2.gz CIRPKRIBTQPFGY-UHFFFAOYSA-N 0 0 433.788 4.543 50 0 IJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000010574408 556091424 /nfs/dbraw/zinc/09/14/24/556091424.db2.gz DATWQNFVQLQSFU-UHFFFAOYSA-N 0 0 437.340 4.934 50 0 IJAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000006491953 556091463 /nfs/dbraw/zinc/09/14/63/556091463.db2.gz OYHDLZPTESEXQA-WOJGMQOQSA-N 0 0 431.897 4.518 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(C)ccc3C)c2=O)CCC4)cc1 ZINC000002687600 556118970 /nfs/dbraw/zinc/11/89/70/556118970.db2.gz NBWSGFYKVZDYDP-UHFFFAOYSA-N 0 0 430.573 4.930 50 0 IJAARN CCCCOC(=O)c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1 ZINC000002688768 556119636 /nfs/dbraw/zinc/11/96/36/556119636.db2.gz HJBFIXVDUOIALV-HSZRJFAPSA-N 0 0 434.492 4.596 50 0 IJAARN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000002703978 556122991 /nfs/dbraw/zinc/12/29/91/556122991.db2.gz OJLSEXHOBUIQBH-XMMPIXPASA-N 0 0 441.483 4.951 50 0 IJAARN CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1 ZINC000002720942 556127387 /nfs/dbraw/zinc/12/73/87/556127387.db2.gz WCPOBVBFCQPZKH-GFCCVEGCSA-N 0 0 427.913 4.564 50 0 IJAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccc(Cl)cc1 ZINC000002722434 556128272 /nfs/dbraw/zinc/12/82/72/556128272.db2.gz MPMAZRPCHXSVPA-UHFFFAOYSA-N 0 0 433.980 4.834 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1Cl ZINC000002719724 556131937 /nfs/dbraw/zinc/13/19/37/556131937.db2.gz KJLFRYFMNQRKHW-UHFFFAOYSA-N 0 0 443.981 4.573 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)cc1 ZINC000002748498 556136625 /nfs/dbraw/zinc/13/66/25/556136625.db2.gz SAUOHXISWGQYCY-UHFFFAOYSA-N 0 0 432.520 4.846 50 0 IJAARN C[C@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C(F)(F)F)nn5C)nc4c23)C1 ZINC000002788878 556139073 /nfs/dbraw/zinc/13/90/73/556139073.db2.gz JQBYHCUDPZYISU-ZETCQYMHSA-N 0 0 426.855 4.537 50 0 IJAARN Cc1nn(C)cc1CN(C)C(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002769037 556139837 /nfs/dbraw/zinc/13/98/37/556139837.db2.gz AGHSRUDOCZHHSV-UHFFFAOYSA-N 0 0 449.352 4.978 50 0 IJAARN O=C(Nc1ncn(Cc2ccccc2F)n1)c1cccc(COc2ccc3c(c2)CCC3)c1 ZINC000002798694 556142136 /nfs/dbraw/zinc/14/21/36/556142136.db2.gz PJRFWLIRPQAVHG-UHFFFAOYSA-N 0 0 442.494 4.786 50 0 IJAARN Cc1c2cc(C)ccc2oc1C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008385061 556160852 /nfs/dbraw/zinc/16/08/52/556160852.db2.gz IKFCCMDHLJSRIP-GOSISDBHSA-N 0 0 431.941 4.533 50 0 IJAARN CN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000008399849 556165647 /nfs/dbraw/zinc/16/56/47/556165647.db2.gz OKXRCYDUQMQLKK-FKIGELJASA-N 0 0 440.543 4.586 50 0 IJAARN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(C=C(c3ccccc3)OC2=O)[C@H]1c1ccccc1 ZINC000008430778 556170809 /nfs/dbraw/zinc/17/08/09/556170809.db2.gz JSEIHGWIRWYXJK-HOFKKMOUSA-N 0 0 438.483 4.546 50 0 IJAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl ZINC000008440235 556176113 /nfs/dbraw/zinc/17/61/13/556176113.db2.gz AODKWGZBOYZKPF-OAHLLOKOSA-N 0 0 438.808 4.568 50 0 IJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008443755 556178391 /nfs/dbraw/zinc/17/83/91/556178391.db2.gz WMUPALIDPDIEPM-CSYJRXFASA-N 0 0 426.538 4.909 50 0 IJAARN O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000008450010 556181227 /nfs/dbraw/zinc/18/12/27/556181227.db2.gz BEYYAGCQOUEDDW-ALICBKBLSA-N 0 0 430.287 4.748 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(C(C)C)c3C)C2=O)cc1 ZINC000008451789 556182389 /nfs/dbraw/zinc/18/23/89/556182389.db2.gz INCGLFXWMVLGKJ-UDWIEESQSA-N 0 0 441.553 4.760 50 0 IJAARN CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC(C)C)c1C ZINC000008454522 556185259 /nfs/dbraw/zinc/18/52/59/556185259.db2.gz HNGXAWFRBAIPND-UHFFFAOYSA-N 0 0 433.570 4.953 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000008603414 556190967 /nfs/dbraw/zinc/19/09/67/556190967.db2.gz SSBVQXUSJXNGQG-QHCPKHFHSA-N 0 0 449.551 4.892 50 0 IJAARN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000008861994 556228334 /nfs/dbraw/zinc/22/83/34/556228334.db2.gz IEWFRXYEFLKGCJ-UHFFFAOYSA-N 0 0 433.558 4.502 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccc(C)cn2)cc1OC ZINC000008916929 556232843 /nfs/dbraw/zinc/23/28/43/556232843.db2.gz XMFOCBKQUOBBFF-RFBIWTDZSA-N 0 0 445.475 4.647 50 0 IJAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000008959011 556236516 /nfs/dbraw/zinc/23/65/16/556236516.db2.gz SKCKRWAHZIPVGT-WQRHYEAKSA-N 0 0 432.929 4.562 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000009133916 556248852 /nfs/dbraw/zinc/24/88/52/556248852.db2.gz KEMYNGLTFVGWIK-GXFFZTMASA-N 0 0 427.839 4.906 50 0 IJAARN COc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1C ZINC000009147064 556249445 /nfs/dbraw/zinc/24/94/45/556249445.db2.gz MMYPIRBOQMRUMP-UHFFFAOYSA-N 0 0 430.533 4.930 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)c1 ZINC000009158397 556249831 /nfs/dbraw/zinc/24/98/31/556249831.db2.gz KMFAGNOWFVYLPV-SFHVURJKSA-N 0 0 445.519 4.782 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 ZINC000009189601 556252697 /nfs/dbraw/zinc/25/26/97/556252697.db2.gz PAQKDNWLSMOHLS-HXUWFJFHSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009197085 556255088 /nfs/dbraw/zinc/25/50/88/556255088.db2.gz MOVYQEULLHWWQP-UXHICEINSA-N 0 0 441.988 4.763 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009197065 556255094 /nfs/dbraw/zinc/25/50/94/556255094.db2.gz ICDSDOBZBRGIJJ-VQTJNVASSA-N 0 0 441.988 4.763 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009197077 556255137 /nfs/dbraw/zinc/25/51/37/556255137.db2.gz MOVYQEULLHWWQP-WOJBJXKFSA-N 0 0 441.988 4.763 50 0 IJAARN Cc1ccc(CC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)s2)cc1 ZINC000009198739 556256842 /nfs/dbraw/zinc/25/68/42/556256842.db2.gz GQAPOVALVBJUPY-INIZCTEOSA-N 0 0 440.956 4.510 50 0 IJAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000009225701 556259537 /nfs/dbraw/zinc/25/95/37/556259537.db2.gz MJAFCZOAVKZSGC-VWLOTQADSA-N 0 0 432.520 4.868 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1F ZINC000009225737 556259745 /nfs/dbraw/zinc/25/97/45/556259745.db2.gz HPLNSYPEZZBFAF-XMMPIXPASA-N 0 0 436.483 4.753 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009226944 556260616 /nfs/dbraw/zinc/26/06/16/556260616.db2.gz JMBNLDKDNSISPX-KRWDZBQOSA-N 0 0 434.517 4.583 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239634 556266405 /nfs/dbraw/zinc/26/64/05/556266405.db2.gz DOYDBBGNGXANEV-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2)C1=O ZINC000009258977 556267350 /nfs/dbraw/zinc/26/73/50/556267350.db2.gz KHLSZAZZBCYBCW-DQPIFXJKSA-N 0 0 440.521 4.548 50 0 IJAARN COC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000009261114 556268956 /nfs/dbraw/zinc/26/89/56/556268956.db2.gz MLSHJBGEZNZJEB-VXLYETTFSA-N 0 0 440.908 4.552 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 ZINC000009295101 556274849 /nfs/dbraw/zinc/27/48/49/556274849.db2.gz SSEWMMNPNQGRPC-VQTJNVASSA-N 0 0 441.988 4.844 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 ZINC000009295104 556274865 /nfs/dbraw/zinc/27/48/65/556274865.db2.gz ONOSLCJKUGCLMC-WOJBJXKFSA-N 0 0 441.988 4.844 50 0 IJAARN COC(=O)[C@@H](CC(=O)c1ccc2ccccc2c1)c1cc(=O)oc2c(C)c(OC)ccc12 ZINC000013685053 556275504 /nfs/dbraw/zinc/27/55/04/556275504.db2.gz YYQJAMALTPLDKY-NRFANRHFSA-N 0 0 430.456 4.793 50 0 IJAARN COc1cc2oc(=O)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1Cl ZINC000009302671 556275814 /nfs/dbraw/zinc/27/58/14/556275814.db2.gz ZGJVEJCVFKRMOU-ZDUSSCGKSA-N 0 0 438.911 4.535 50 0 IJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccnc2Cl)c1S(=O)(=O)c1ccccc1 ZINC000013686007 556276039 /nfs/dbraw/zinc/27/60/39/556276039.db2.gz NWLUXCUNPMTPOK-UHFFFAOYSA-N 0 0 431.945 4.819 50 0 IJAARN COc1ccc(CCc2nnc3sc(COc4ccc5ccccc5c4)nn23)cc1OC ZINC000013691821 556281346 /nfs/dbraw/zinc/28/13/46/556281346.db2.gz GEXSLRXMOPJEPW-UHFFFAOYSA-N 0 0 446.532 4.720 50 0 IJAARN COc1ccccc1-c1nc(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)cs1 ZINC000013693123 556282601 /nfs/dbraw/zinc/28/26/01/556282601.db2.gz PXQDDVQNZOYALH-UHFFFAOYSA-N 0 0 425.941 4.855 50 0 IJAARN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009371653 556286399 /nfs/dbraw/zinc/28/63/99/556286399.db2.gz PAKIMQCYJXEJKK-NRFANRHFSA-N 0 0 439.870 4.959 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccs1 ZINC000013721832 556290637 /nfs/dbraw/zinc/29/06/37/556290637.db2.gz CTBLTUGLMHXDAU-UHFFFAOYSA-N 0 0 446.594 4.596 50 0 IJAARN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccnc3)sc2c1 ZINC000009446179 556292561 /nfs/dbraw/zinc/29/25/61/556292561.db2.gz VEKWGBDWTPBGMT-FQEVSTJZSA-N 0 0 441.468 4.556 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2Cc2ccco2)c1 ZINC000009497376 556295063 /nfs/dbraw/zinc/29/50/63/556295063.db2.gz SWOKMEUHUQSDLN-UHFFFAOYSA-N 0 0 448.548 4.943 50 0 IJAARN CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(OC)c1 ZINC000009498389 556295074 /nfs/dbraw/zinc/29/50/74/556295074.db2.gz LHUDKLDKHZSOPJ-UHFFFAOYSA-N 0 0 446.960 4.675 50 0 IJAARN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc3ccccc32)C1=O ZINC000013732965 556296479 /nfs/dbraw/zinc/29/64/79/556296479.db2.gz UHNQPWPDJDOCTQ-VWLOTQADSA-N 0 0 434.499 4.801 50 0 IJAARN CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1OC ZINC000013748458 556298419 /nfs/dbraw/zinc/29/84/19/556298419.db2.gz BNPIULGPGYUIJO-JWGURIENSA-N 0 0 449.576 4.642 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(O)ccc1Br)Nc1ccccc1-2 ZINC000009601792 556302815 /nfs/dbraw/zinc/30/28/15/556302815.db2.gz BBUDAMUOXNGHLU-INIZCTEOSA-N 0 0 431.315 4.622 50 0 IJAARN Cc1nc2ccc(C(=O)Nc3ccnn3Cc3ccc(Br)cc3)cc2nc1C ZINC000032744759 556304846 /nfs/dbraw/zinc/30/48/46/556304846.db2.gz NWLGVAXMUIIVPP-UHFFFAOYSA-N 0 0 436.313 4.506 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000009679601 556306235 /nfs/dbraw/zinc/30/62/35/556306235.db2.gz CQHBLFAUPOWKIU-QFIPXVFZSA-N 0 0 445.500 4.770 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccco2)c1 ZINC000013803632 556310843 /nfs/dbraw/zinc/31/08/43/556310843.db2.gz QRNOZPGUKQXICQ-UHFFFAOYSA-N 0 0 448.548 4.943 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013811081 556312268 /nfs/dbraw/zinc/31/22/68/556312268.db2.gz XQPYJQKPUOHFLY-NJDAHSKKSA-N 0 0 438.405 4.757 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1 ZINC000009846538 556313485 /nfs/dbraw/zinc/31/34/85/556313485.db2.gz IFDSZIDHQWGNEF-JOCHJYFZSA-N 0 0 437.540 4.606 50 0 IJAARN CCCc1ccc([C@@H](NC(=O)CCN2C(=O)COc3ccccc32)c2cccs2)cc1 ZINC000032745057 556314525 /nfs/dbraw/zinc/31/45/25/556314525.db2.gz NQVUBHLJZPDCSN-RUZDIDTESA-N 0 0 434.561 4.722 50 0 IJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009934269 556317790 /nfs/dbraw/zinc/31/77/90/556317790.db2.gz YTRRCIDMLJRNMH-QHCPKHFHSA-N 0 0 445.494 4.754 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000009934244 556317922 /nfs/dbraw/zinc/31/79/22/556317922.db2.gz HMPGCPWXYLNTLI-JOCHJYFZSA-N 0 0 449.457 4.639 50 0 IJAARN COC(=O)c1ccc(C(=O)Nc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)cc1 ZINC000009968701 556318959 /nfs/dbraw/zinc/31/89/59/556318959.db2.gz OZAXEFYWNKVYMJ-UHFFFAOYSA-N 0 0 437.521 4.854 50 0 IJAARN CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)OCC(=O)c3cccs3)cc2C1=O ZINC000013856604 556321076 /nfs/dbraw/zinc/32/10/76/556321076.db2.gz HCUQVZQKSBTEFT-UHFFFAOYSA-N 0 0 447.512 4.713 50 0 IJAARN CCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000032754538 556323705 /nfs/dbraw/zinc/32/37/05/556323705.db2.gz VEZWMFBAIUZKPA-JTQLQIEISA-N 0 0 437.363 4.713 50 0 IJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000010060074 556324428 /nfs/dbraw/zinc/32/44/28/556324428.db2.gz RTIZBTYJEWGRPE-UHFFFAOYSA-N 0 0 433.537 4.918 50 0 IJAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(I)cc1 ZINC000013880515 556325932 /nfs/dbraw/zinc/32/59/32/556325932.db2.gz KHMGXEGQRQWRGI-UHFFFAOYSA-N 0 0 436.076 4.924 50 0 IJAARN Cc1cccc(C)c1-n1c(SCCn2c3ccccc3oc2=O)nc2ccccc2c1=O ZINC000032777138 556327796 /nfs/dbraw/zinc/32/77/96/556327796.db2.gz ZGRYHIGYIQTRCN-UHFFFAOYSA-N 0 0 443.528 4.703 50 0 IJAARN Cc1cccc(OCCCOc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)c1 ZINC000013897681 556330206 /nfs/dbraw/zinc/33/02/06/556330206.db2.gz DVTINMBDOAJNKF-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc(OCC)c1OCC ZINC000004479509 556332634 /nfs/dbraw/zinc/33/26/34/556332634.db2.gz NWSURMSBECXGGJ-UHFFFAOYSA-N 0 0 425.485 4.802 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765685 556332858 /nfs/dbraw/zinc/33/28/58/556332858.db2.gz RMXRLIMRGGXCDE-UHFFFAOYSA-N 0 0 430.489 4.854 50 0 IJAARN CCCCN(C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCCC)C2)cc1)c1ccccc1 ZINC000010462302 556335623 /nfs/dbraw/zinc/33/56/23/556335623.db2.gz ZRSUSLWMFKXCKD-NRFANRHFSA-N 0 0 435.568 4.721 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000032560851 556338013 /nfs/dbraw/zinc/33/80/13/556338013.db2.gz VCVJVBNLOMQVTL-GOSISDBHSA-N 0 0 443.956 4.833 50 0 IJAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 ZINC000013944231 556341272 /nfs/dbraw/zinc/34/12/72/556341272.db2.gz MUOHWQDNTIDNOO-OAHLLOKOSA-N 0 0 426.929 4.527 50 0 IJAARN CCn1c(SCCOc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000013944977 556342303 /nfs/dbraw/zinc/34/23/03/556342303.db2.gz NAOMSYJGNHFDEO-OAHLLOKOSA-N 0 0 430.961 4.614 50 0 IJAARN CN(C(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032780697 556346047 /nfs/dbraw/zinc/34/60/47/556346047.db2.gz YZIOPESYWRWWTL-MRXNPFEDSA-N 0 0 444.405 4.545 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3cnn(C)c3C)nc2-c2ccc(OC)cc2)cc1 ZINC000013961038 556348622 /nfs/dbraw/zinc/34/86/22/556348622.db2.gz OXXUCQIBBQVWFH-UHFFFAOYSA-N 0 0 434.521 4.844 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2CN2CCCC2=O)cc1C ZINC000032787599 556350369 /nfs/dbraw/zinc/35/03/69/556350369.db2.gz KHGGKFNTYJTLCX-UHFFFAOYSA-N 0 0 440.543 4.587 50 0 IJAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1 ZINC000014022200 556357047 /nfs/dbraw/zinc/35/70/47/556357047.db2.gz WTKCGAPNYOVBJN-UHFFFAOYSA-N 0 0 428.511 4.650 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000011813738 556357143 /nfs/dbraw/zinc/35/71/43/556357143.db2.gz XXCVVYOOZYWQBF-XUZZJYLKSA-N 0 0 428.935 4.814 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cccnc2SC)CC1 ZINC000011815253 556358478 /nfs/dbraw/zinc/35/84/78/556358478.db2.gz QHTNGKDBJWGDKJ-UHFFFAOYSA-N 0 0 426.582 4.612 50 0 IJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000014049018 556358536 /nfs/dbraw/zinc/35/85/36/556358536.db2.gz KXNJTSCUTIZGGV-UHFFFAOYSA-N 0 0 429.879 4.542 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000014068537 556359996 /nfs/dbraw/zinc/35/99/96/556359996.db2.gz YWZOZPHGROQPJN-LJQANCHMSA-N 0 0 428.916 4.791 50 0 IJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000032796611 556362125 /nfs/dbraw/zinc/36/21/25/556362125.db2.gz XGEOFBQOOPRMLK-QGZVFWFLSA-N 0 0 427.504 4.536 50 0 IJAARN COc1ccc(OCc2noc(CN3CCc4sccc4[C@H]3c3ccccc3)n2)cc1 ZINC000014077002 556362164 /nfs/dbraw/zinc/36/21/64/556362164.db2.gz JFWMNUOZGYONEA-XMMPIXPASA-N 0 0 433.533 4.866 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011839693 556364237 /nfs/dbraw/zinc/36/42/37/556364237.db2.gz KCJAAXBGFXTWPT-UHFFFAOYSA-N 0 0 444.497 4.963 50 0 IJAARN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000011840809 556365118 /nfs/dbraw/zinc/36/51/18/556365118.db2.gz ACFNMKYIKZEGPX-BESOESOGSA-N 0 0 448.632 4.882 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000011841632 556365475 /nfs/dbraw/zinc/36/54/75/556365475.db2.gz QYLSOTDJQSCKRJ-FIPFOOKPSA-N 0 0 444.550 4.967 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000011841629 556365489 /nfs/dbraw/zinc/36/54/89/556365489.db2.gz QYLSOTDJQSCKRJ-NEKDWFFYSA-N 0 0 444.550 4.967 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000014094553 556366571 /nfs/dbraw/zinc/36/65/71/556366571.db2.gz BMOZCIRCVYHVDT-XMMPIXPASA-N 0 0 426.476 4.661 50 0 IJAARN CCCCN1C[C@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O ZINC000014095528 556367503 /nfs/dbraw/zinc/36/75/03/556367503.db2.gz KSOTWMANJSWQPF-HXUWFJFHSA-N 0 0 432.568 4.594 50 0 IJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc(COC)s2)CC1 ZINC000011873319 556369962 /nfs/dbraw/zinc/36/99/62/556369962.db2.gz UMTSIXFQUONMLZ-UHFFFAOYSA-N 0 0 429.582 4.703 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c2)cs1 ZINC000014115694 556370938 /nfs/dbraw/zinc/37/09/38/556370938.db2.gz OBNHHXSSQLRETR-UHFFFAOYSA-N 0 0 448.577 4.838 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000014116148 556370964 /nfs/dbraw/zinc/37/09/64/556370964.db2.gz WIRGKLFJKUAMTC-UHFFFAOYSA-N 0 0 442.614 4.816 50 0 IJAARN COc1cccc(C[C@]2(CCC(=O)NC(c3ccccc3)c3ccccc3)CCC(=O)N2)c1 ZINC000011880416 556372420 /nfs/dbraw/zinc/37/24/20/556372420.db2.gz HJJQQABALSWFNN-NDEPHWFRSA-N 0 0 442.559 4.573 50 0 IJAARN COc1cccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCCc4ccccc43)s2)c1 ZINC000032573844 556373998 /nfs/dbraw/zinc/37/39/98/556373998.db2.gz YCCIHGYJCMHLDK-IBGZPJMESA-N 0 0 440.594 4.918 50 0 IJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cccc(C(F)(F)F)c4)C3=O)ccc2c1 ZINC000014129675 556374825 /nfs/dbraw/zinc/37/48/25/556374825.db2.gz WFERWAIMUUWRMB-JOCHJYFZSA-N 0 0 428.410 4.834 50 0 IJAARN Cc1nc(CC(=O)NC[C@@H]2Cc3cc(C)cc(-c4ccc5nc(C)ccc5c4)c3O2)cs1 ZINC000011912990 556375601 /nfs/dbraw/zinc/37/56/01/556375601.db2.gz SMEATYKVADXHNN-QFIPXVFZSA-N 0 0 443.572 4.946 50 0 IJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000014140572 556376461 /nfs/dbraw/zinc/37/64/61/556376461.db2.gz ZICDZZXXEDIYEO-HXUWFJFHSA-N 0 0 425.536 4.802 50 0 IJAARN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)NC12CC3CC(CC(C3)C1)C2 ZINC000012000197 556385628 /nfs/dbraw/zinc/38/56/28/556385628.db2.gz UPQMSDRXQWLYPU-ASCBODFISA-N 0 0 430.592 4.896 50 0 IJAARN CSCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)o1 ZINC000012027012 556387801 /nfs/dbraw/zinc/38/78/01/556387801.db2.gz SKVPTTHGAUMYMS-INIZCTEOSA-N 0 0 434.989 4.745 50 0 IJAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(F)cccc3Cl)C2)c(OC)c1 ZINC000012027924 556388129 /nfs/dbraw/zinc/38/81/29/556388129.db2.gz HVGBFOYCLJXOKX-QGZVFWFLSA-N 0 0 448.966 4.805 50 0 IJAARN CC(=O)NCCc1ccc(C(=O)COc2ccc3cc(Br)ccc3c2)cc1 ZINC000014200738 556391426 /nfs/dbraw/zinc/39/14/26/556391426.db2.gz CCGZGOHXYFRCQU-UHFFFAOYSA-N 0 0 426.310 4.543 50 0 IJAARN O=C(Nc1cccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1)c1cccs1 ZINC000014202215 556392377 /nfs/dbraw/zinc/39/23/77/556392377.db2.gz HLPRWGAOQRFQHE-UHFFFAOYSA-N 0 0 442.924 4.745 50 0 IJAARN O=C(CCc1nc(-c2cccs2)no1)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000032810415 556396690 /nfs/dbraw/zinc/39/66/90/556396690.db2.gz DALCHZKZQDQUHC-UHFFFAOYSA-N 0 0 448.335 4.921 50 0 IJAARN O=C1CCCN1Cc1nnc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)o1 ZINC000014234217 556398902 /nfs/dbraw/zinc/39/89/02/556398902.db2.gz CKJDAJIIUGRWHS-UHFFFAOYSA-N 0 0 443.941 4.668 50 0 IJAARN O=C(C1CCN(Cn2nc(-c3cccc(Cl)c3)oc2=S)CC1)N1CCCCCC1 ZINC000014242279 556402929 /nfs/dbraw/zinc/40/29/29/556402929.db2.gz XXGDWVVVPFBJTN-UHFFFAOYSA-N 0 0 434.993 4.598 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc2c(c1)CC(=O)N2 ZINC000014242591 556403182 /nfs/dbraw/zinc/40/31/82/556403182.db2.gz JFEBUBBFSITLCF-UHFFFAOYSA-N 0 0 438.512 4.675 50 0 IJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCn1nc(-c2cccs2)oc1=O ZINC000014245719 556405560 /nfs/dbraw/zinc/40/55/60/556405560.db2.gz HFKJTGJRYKWLOH-UHFFFAOYSA-N 0 0 443.912 4.527 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1 ZINC000032622808 556410252 /nfs/dbraw/zinc/41/02/52/556410252.db2.gz NIEXGJZEZPDUFQ-JOCHJYFZSA-N 0 0 439.943 4.961 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@@H]1c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000004376637 556412493 /nfs/dbraw/zinc/41/24/93/556412493.db2.gz UXPOIMSGKZJXMO-HXUWFJFHSA-N 0 0 429.586 4.748 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c12 ZINC000032648577 556413522 /nfs/dbraw/zinc/41/35/22/556413522.db2.gz VDOSCVKFRYVXLD-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN CCC[C@H](CNC(=O)COC(=O)c1n[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000014357856 556414171 /nfs/dbraw/zinc/41/41/71/556414171.db2.gz RIRWZPGMPURXCQ-CYBMUJFWSA-N 0 0 434.323 4.727 50 0 IJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000012947047 556417899 /nfs/dbraw/zinc/41/78/99/556417899.db2.gz OFHSDLSMXXZRGY-MRXNPFEDSA-N 0 0 449.878 4.902 50 0 IJAARN COc1cc(C2SCCS2)ccc1OCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000032668433 556418520 /nfs/dbraw/zinc/41/85/20/556418520.db2.gz HPVBVMBTBFBOKU-UHFFFAOYSA-N 0 0 430.016 4.926 50 0 IJAARN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977735 556422792 /nfs/dbraw/zinc/42/27/92/556422792.db2.gz JQZBKRLCGCQMMR-NAVXVDNBSA-N 0 0 431.374 4.595 50 0 IJAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012980775 556424297 /nfs/dbraw/zinc/42/42/97/556424297.db2.gz MOHLZOMFCAOBSI-VHSXEESVSA-N 0 0 446.857 4.899 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(C)nc3c2cnn3-c2ccccc2)cc1Cl ZINC000032679787 556425502 /nfs/dbraw/zinc/42/55/02/556425502.db2.gz KOZKPTYHVZLOKB-UHFFFAOYSA-N 0 0 439.928 4.517 50 0 IJAARN COc1ccc([C@@H](NC(=O)CSc2ccc3c(c2)OCCCO3)c2ccccc2)cc1 ZINC000012983926 556426015 /nfs/dbraw/zinc/42/60/15/556426015.db2.gz AFACSCWACADOJX-VWLOTQADSA-N 0 0 435.545 4.854 50 0 IJAARN O=C(COC(=O)c1ccco1)c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000012998143 556432180 /nfs/dbraw/zinc/43/21/80/556432180.db2.gz ALTNIQDFDHQNEQ-UHFFFAOYSA-N 0 0 441.365 4.586 50 0 IJAARN CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1C ZINC000032856073 556433703 /nfs/dbraw/zinc/43/37/03/556433703.db2.gz KJJLWLCDHJLNBR-OAHLLOKOSA-N 0 0 429.567 4.619 50 0 IJAARN Cc1ccc(-c2csc3ncn(C[C@H](O)COc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000013002342 556433785 /nfs/dbraw/zinc/43/37/85/556433785.db2.gz VGTXOEHUMGDOTD-KRWDZBQOSA-N 0 0 426.925 4.527 50 0 IJAARN C[C@H]1Oc2c(cccc2C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1C ZINC000013010692 556435766 /nfs/dbraw/zinc/43/57/66/556435766.db2.gz SYWUQTHPHPWHKI-QZTJIDSGSA-N 0 0 439.515 4.650 50 0 IJAARN Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1-c1nccs1 ZINC000013013939 556436650 /nfs/dbraw/zinc/43/66/50/556436650.db2.gz DPRIMZXVQGTACF-UHFFFAOYSA-N 0 0 435.578 4.984 50 0 IJAARN COc1ccc(CCN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)cc1OC ZINC000013015435 556437313 /nfs/dbraw/zinc/43/73/13/556437313.db2.gz VIUAONOQKJTCTO-UHFFFAOYSA-N 0 0 441.597 4.938 50 0 IJAARN O=C(Cn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21)Nc1ccc(Cl)cc1 ZINC000013015734 556437740 /nfs/dbraw/zinc/43/77/40/556437740.db2.gz SMBKEWHQWJGNRF-UHFFFAOYSA-N 0 0 428.879 4.633 50 0 IJAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(F)cc2)cc1OC ZINC000014738040 556437887 /nfs/dbraw/zinc/43/78/87/556437887.db2.gz CLYNAVLPRXWFRM-IBGZPJMESA-N 0 0 440.496 4.661 50 0 IJAARN Cc1ccc(-c2nc(CCNC(=O)COc3ccc(Br)cc3)cs2)cc1 ZINC000027989068 556439352 /nfs/dbraw/zinc/43/93/52/556439352.db2.gz PRTQKMJYCHQFEJ-UHFFFAOYSA-N 0 0 431.355 4.619 50 0 IJAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1ccco1 ZINC000027994629 556441101 /nfs/dbraw/zinc/44/11/01/556441101.db2.gz MWWYKLBNCDWADG-UHFFFAOYSA-N 0 0 428.238 4.584 50 0 IJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccc(Br)cc3o2)o1 ZINC000027994668 556441116 /nfs/dbraw/zinc/44/11/16/556441116.db2.gz LKAWYYVYMKOGEY-UHFFFAOYSA-N 0 0 442.265 4.893 50 0 IJAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccc(C)cc2O)cc1OC ZINC000014779728 556445563 /nfs/dbraw/zinc/44/55/63/556445563.db2.gz KAZUWCZMAGTRMM-UHFFFAOYSA-N 0 0 429.476 4.823 50 0 IJAARN COc1ccc2nc(N(Cc3ccccc3)C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)sc2c1 ZINC000013040848 556446482 /nfs/dbraw/zinc/44/64/82/556446482.db2.gz JELXZWFNYYGJKK-GOSISDBHSA-N 0 0 449.576 4.629 50 0 IJAARN COc1cc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc(OC)c1OC ZINC000013041190 556447263 /nfs/dbraw/zinc/44/72/63/556447263.db2.gz UQFVBUSNRDWSNO-UHFFFAOYSA-N 0 0 449.503 4.569 50 0 IJAARN CC(C)c1ccc([C@H](C)NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000013041268 556447563 /nfs/dbraw/zinc/44/75/63/556447563.db2.gz AZQPNVAPHSZKCR-HNNXBMFYSA-N 0 0 436.383 4.865 50 0 IJAARN CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028292063 556450304 /nfs/dbraw/zinc/45/03/04/556450304.db2.gz BAUUBHMLYWCSQJ-DEOSSOPVSA-N 0 0 438.612 4.966 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000028304744 556451758 /nfs/dbraw/zinc/45/17/58/556451758.db2.gz MGVICXHAAPIZJS-NRFANRHFSA-N 0 0 446.595 4.768 50 0 IJAARN FC(F)(F)c1cccc(C2(c3nnc([C@@H]4COc5ccccc5O4)o3)CCOCC2)c1 ZINC000072273531 556452311 /nfs/dbraw/zinc/45/23/11/556452311.db2.gz AHVKNKNREKQYEX-SFHVURJKSA-N 0 0 432.398 4.697 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013068941 556452617 /nfs/dbraw/zinc/45/26/17/556452617.db2.gz QLVDUNZGBZRIHW-UHFFFAOYSA-N 0 0 444.597 4.810 50 0 IJAARN Cc1ccc(SC(=O)c2nc(S(C)(=O)=O)ncc2Sc2ccc(C)cc2)cc1 ZINC000028403041 556453830 /nfs/dbraw/zinc/45/38/30/556453830.db2.gz XRPYHRCIVBPGJI-UHFFFAOYSA-N 0 0 430.576 4.581 50 0 IJAARN CC[C@@H](NC(=O)COc1c(C)cccc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000072275055 556454972 /nfs/dbraw/zinc/45/49/72/556454972.db2.gz LQPULXZZLXLKSO-QGZVFWFLSA-N 0 0 444.329 4.762 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000013075621 556455709 /nfs/dbraw/zinc/45/57/09/556455709.db2.gz REAQCNQJTOERPM-HXUWFJFHSA-N 0 0 426.563 4.551 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1nc2ccccc2n1C(F)F ZINC000014902529 556456910 /nfs/dbraw/zinc/45/69/10/556456910.db2.gz UTVLWXKGQFOLBP-CYBMUJFWSA-N 0 0 430.480 4.641 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000013098858 556459477 /nfs/dbraw/zinc/45/94/77/556459477.db2.gz YKXVDGLONVLHKC-VWLOTQADSA-N 0 0 432.545 4.963 50 0 IJAARN CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000013112496 556464849 /nfs/dbraw/zinc/46/48/49/556464849.db2.gz UGBBBPKWAUUROJ-INIZCTEOSA-N 0 0 433.961 4.566 50 0 IJAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000032959129 556465274 /nfs/dbraw/zinc/46/52/74/556465274.db2.gz QUNJVTFWNBBWDJ-UHFFFAOYSA-N 0 0 449.894 4.577 50 0 IJAARN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000014965271 556465432 /nfs/dbraw/zinc/46/54/32/556465432.db2.gz FSCHWAQUXUBWAD-MOPGFXCFSA-N 0 0 445.654 4.847 50 0 IJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCc5c([nH]c6ccccc65)C4)no3)ccc2s1 ZINC000014970584 556466639 /nfs/dbraw/zinc/46/66/39/556466639.db2.gz UPDWGPDTEGMDPQ-UHFFFAOYSA-N 0 0 444.516 4.852 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2)cc1 ZINC000013114425 556466733 /nfs/dbraw/zinc/46/67/33/556466733.db2.gz NSHAFRKZGJQZQF-UHFFFAOYSA-N 0 0 443.503 4.717 50 0 IJAARN Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccnn3C(C)C)n2n1 ZINC000013114731 556467308 /nfs/dbraw/zinc/46/73/08/556467308.db2.gz BSGTUGSKVQPEJN-KRWDZBQOSA-N 0 0 434.569 4.910 50 0 IJAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000014975308 556468032 /nfs/dbraw/zinc/46/80/32/556468032.db2.gz NUFIVTGISWDEBR-RUZDIDTESA-N 0 0 426.472 4.693 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013117032 556469154 /nfs/dbraw/zinc/46/91/54/556469154.db2.gz NQSJLQMPZUCBKN-GOSISDBHSA-N 0 0 429.549 4.607 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c(C)n1C[C@H]1CCCO1 ZINC000013117423 556469855 /nfs/dbraw/zinc/46/98/55/556469855.db2.gz BNBKOGWJTYEGRF-QGZVFWFLSA-N 0 0 446.573 4.993 50 0 IJAARN COc1ccc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cc1OC ZINC000014979041 556469909 /nfs/dbraw/zinc/46/99/09/556469909.db2.gz VILWPCBLCMNRBK-UHFFFAOYSA-N 0 0 429.520 4.899 50 0 IJAARN O=C(/C=C/c1ccccc1F)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000014979623 556470163 /nfs/dbraw/zinc/47/01/63/556470163.db2.gz LQJGWHIFRLRJMU-DLENHJPASA-N 0 0 435.524 4.840 50 0 IJAARN Cc1ccccc1N(CC(=O)N[C@H](c1cccs1)C(C)C)S(=O)(=O)c1ccccc1 ZINC000011041550 556470645 /nfs/dbraw/zinc/47/06/45/556470645.db2.gz ODEVBLMRARCJJU-QHCPKHFHSA-N 0 0 442.606 4.765 50 0 IJAARN CN(C)C(=O)CCC(=O)N(Cc1cccc(OCCc2cccs2)c1)C1CCCC1 ZINC000014987459 556473276 /nfs/dbraw/zinc/47/32/76/556473276.db2.gz SRJRDZQNQGHHAK-UHFFFAOYSA-N 0 0 428.598 4.509 50 0 IJAARN Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1CCc1ccc(Cl)cc1 ZINC000013121385 556474156 /nfs/dbraw/zinc/47/41/56/556474156.db2.gz JCDXAZCEWPICGX-UHFFFAOYSA-N 0 0 444.000 4.526 50 0 IJAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000072283604 556474383 /nfs/dbraw/zinc/47/43/83/556474383.db2.gz AZNLQINKFXGJHY-UHFFFAOYSA-N 0 0 435.490 4.574 50 0 IJAARN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(-c2ccccc2)cc1 ZINC000013127144 556475792 /nfs/dbraw/zinc/47/57/92/556475792.db2.gz FIMGHNGIRDWSLS-SFHVURJKSA-N 0 0 426.567 4.527 50 0 IJAARN CC(C)Cn1nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c2ccccc2c1=O ZINC000013128753 556478112 /nfs/dbraw/zinc/47/81/12/556478112.db2.gz VNPXAXGMDQNKRQ-QFIPXVFZSA-N 0 0 449.601 4.963 50 0 IJAARN COC(=O)c1cc2ccccc2cc1OC(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000029596722 556478289 /nfs/dbraw/zinc/47/82/89/556478289.db2.gz VLINKTSJGWRADH-UHFFFAOYSA-N 0 0 449.484 4.986 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CCN(C(=O)c1ccco1)CC2 ZINC000014998208 556478746 /nfs/dbraw/zinc/47/87/46/556478746.db2.gz WWQJUMHOBCDIOE-DEOSSOPVSA-N 0 0 442.559 4.860 50 0 IJAARN O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013129265 556478854 /nfs/dbraw/zinc/47/88/54/556478854.db2.gz YCIJAVKVHLCBLS-UHFFFAOYSA-N 0 0 443.528 4.885 50 0 IJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(F)c(F)c3F)nc2n1 ZINC000015002144 556480167 /nfs/dbraw/zinc/48/01/67/556480167.db2.gz JORVGLMJLWEMRS-UHFFFAOYSA-N 0 0 443.454 4.703 50 0 IJAARN O=C(NCc1nnc(SCc2ccncc2)n1Cc1ccccc1)c1cccc(Cl)c1 ZINC000015001644 556480219 /nfs/dbraw/zinc/48/02/19/556480219.db2.gz QEDYGISOVBDLEJ-UHFFFAOYSA-N 0 0 449.967 4.597 50 0 IJAARN Cc1nc(COc2cccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c2)cs1 ZINC000029796953 556482812 /nfs/dbraw/zinc/48/28/12/556482812.db2.gz NYFPVZBINIEJKJ-NRFANRHFSA-N 0 0 436.533 4.779 50 0 IJAARN Cc1nc2cc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2n1-c1ccccc1 ZINC000029819457 556483479 /nfs/dbraw/zinc/48/34/79/556483479.db2.gz GVIUHLQJDFQPAX-QGZVFWFLSA-N 0 0 447.560 4.571 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013138356 556485328 /nfs/dbraw/zinc/48/53/28/556485328.db2.gz ANLHXYQPXAETME-HNNXBMFYSA-N 0 0 431.414 4.692 50 0 IJAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000013141216 556486603 /nfs/dbraw/zinc/48/66/03/556486603.db2.gz LTGQAXACPDXMFV-DEOSSOPVSA-N 0 0 449.894 4.538 50 0 IJAARN Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000029956813 556487162 /nfs/dbraw/zinc/48/71/62/556487162.db2.gz GOJZNTNPDHXQNU-HXUWFJFHSA-N 0 0 428.414 4.635 50 0 IJAARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)[nH]c(=O)c1Cc1ccccc1 ZINC000015023446 556488400 /nfs/dbraw/zinc/48/84/00/556488400.db2.gz LWGLQEZAQHIGIC-UHFFFAOYSA-N 0 0 434.348 4.707 50 0 IJAARN CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OCC ZINC000013148603 556490115 /nfs/dbraw/zinc/49/01/15/556490115.db2.gz OKFKZDCCTGAIEM-SXGWCWSVSA-N 0 0 434.261 4.730 50 0 IJAARN CCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013149534 556491303 /nfs/dbraw/zinc/49/13/03/556491303.db2.gz QZAMTQYMBLNCDN-UHFFFAOYSA-N 0 0 437.879 4.765 50 0 IJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000015063858 556491475 /nfs/dbraw/zinc/49/14/75/556491475.db2.gz GXIGOHWENGWMRA-UHFFFAOYSA-N 0 0 445.485 4.970 50 0 IJAARN O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NC1CCCCCC1 ZINC000013163339 556493275 /nfs/dbraw/zinc/49/32/75/556493275.db2.gz IEACODXOILZNHH-UHFFFAOYSA-N 0 0 437.971 4.870 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000013163615 556494046 /nfs/dbraw/zinc/49/40/46/556494046.db2.gz CQNOBVWJODXNGO-HSZRJFAPSA-N 0 0 433.577 4.503 50 0 IJAARN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000030468751 556494765 /nfs/dbraw/zinc/49/47/65/556494765.db2.gz LEESQFWHKKWZME-UHFFFAOYSA-N 0 0 428.517 4.578 50 0 IJAARN CCc1cccc2c(C(=O)[C@@H](Sc3nnnn3C[C@@H]3CCCO3)c3ccccc3)c[nH]c21 ZINC000013163933 556495073 /nfs/dbraw/zinc/49/50/73/556495073.db2.gz XEDJIPGIKYRRQX-MBSDFSHPSA-N 0 0 447.564 4.612 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(-c3cccs3)on2)n1Cc1cccnc1 ZINC000030569436 556497970 /nfs/dbraw/zinc/49/79/70/556497970.db2.gz CKZZMNAASKNMRF-UHFFFAOYSA-N 0 0 432.530 4.849 50 0 IJAARN CC1CCN(Cc2csc(NC(=O)COc3ccc(Oc4ccccn4)cc3)n2)CC1 ZINC000030583004 556498655 /nfs/dbraw/zinc/49/86/55/556498655.db2.gz IKVLUAVVMQFMNC-UHFFFAOYSA-N 0 0 438.553 4.580 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000030621942 556500126 /nfs/dbraw/zinc/50/01/26/556500126.db2.gz VQRCWCPLERFJQL-QHCPKHFHSA-N 0 0 441.531 4.561 50 0 IJAARN O=C(COC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc(SC(F)F)cc1 ZINC000015151046 556506439 /nfs/dbraw/zinc/50/64/39/556506439.db2.gz MNFAVKYQGMWXHF-UHFFFAOYSA-N 0 0 433.432 4.969 50 0 IJAARN Cc1ccccc1NC(=S)N[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000013482455 556508192 /nfs/dbraw/zinc/50/81/92/556508192.db2.gz HZWBYAUOMMQLIR-INIZCTEOSA-N 0 0 430.788 4.716 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032882679 556509077 /nfs/dbraw/zinc/50/90/77/556509077.db2.gz BLSBOWPGDRMIEH-HSZRJFAPSA-N 0 0 439.506 4.607 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccccc2Cc2ccccc2)c(C)n1C[C@H]1CCCO1 ZINC000015186872 556509560 /nfs/dbraw/zinc/50/95/60/556509560.db2.gz ANLDPORIXVOVIJ-HSZRJFAPSA-N 0 0 431.532 4.914 50 0 IJAARN O=C(Nc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1)c1ccc(F)cc1 ZINC000030867396 556512467 /nfs/dbraw/zinc/51/24/67/556512467.db2.gz VXDZBUYTZQCPCM-DEOSSOPVSA-N 0 0 425.463 4.992 50 0 IJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000030893917 556514940 /nfs/dbraw/zinc/51/49/40/556514940.db2.gz SVVVLSSPMYOKFW-UHFFFAOYSA-N 0 0 431.517 4.628 50 0 IJAARN COc1ccc([C@H](NC(=O)CNc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000015288429 556516042 /nfs/dbraw/zinc/51/60/42/556516042.db2.gz XUWUXYNXUVFBMH-JOCHJYFZSA-N 0 0 425.326 4.775 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1ccccc1 ZINC000072294895 556517662 /nfs/dbraw/zinc/51/76/62/556517662.db2.gz YYJLYNIWPJREAU-AOYPEHQESA-N 0 0 440.547 4.911 50 0 IJAARN Cc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c(Br)c1 ZINC000011074862 556519670 /nfs/dbraw/zinc/51/96/70/556519670.db2.gz TXFMOQSZBPYQHY-UHFFFAOYSA-N 0 0 425.326 4.934 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000003107643 556521958 /nfs/dbraw/zinc/52/19/58/556521958.db2.gz YNCXTFCMRNIFBR-UHFFFAOYSA-N 0 0 443.594 4.710 50 0 IJAARN CCCCC1CCC(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)CC1 ZINC000013571239 556522201 /nfs/dbraw/zinc/52/22/01/556522201.db2.gz UFOVQVSUQHUKDX-UHFFFAOYSA-N 0 0 439.578 4.586 50 0 IJAARN COc1ccc([C@H]2CCCN2Cc2cc(OC)c(OC)cc2Br)c(OC)c1 ZINC000015367305 556523412 /nfs/dbraw/zinc/52/34/12/556523412.db2.gz KYFPJTIISXLMTD-GOSISDBHSA-N 0 0 436.346 4.821 50 0 IJAARN Cc1cc(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)c(C)n1CCc1cccs1 ZINC000015448840 556528896 /nfs/dbraw/zinc/52/88/96/556528896.db2.gz BINUEDRKDMTYII-UHFFFAOYSA-N 0 0 444.000 4.816 50 0 IJAARN COc1ccc(CCn2c(C)c(C)c3c4nc(-c5ccccc5)nn4cnc32)cc1OC ZINC000013593106 556530971 /nfs/dbraw/zinc/53/09/71/556530971.db2.gz OHHPXQYVEIMELP-UHFFFAOYSA-N 0 0 427.508 4.623 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 ZINC000015518984 556532832 /nfs/dbraw/zinc/53/28/32/556532832.db2.gz WOYMVQNVIPZXRF-JOCHJYFZSA-N 0 0 437.565 4.911 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000015548818 556534354 /nfs/dbraw/zinc/53/43/54/556534354.db2.gz FFWUSBLZMVKOIN-NPMXOYFQSA-N 0 0 437.590 4.521 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)ccc12 ZINC000013629113 556538559 /nfs/dbraw/zinc/53/85/59/556538559.db2.gz AHUWJTLFOMTTIC-UHFFFAOYSA-N 0 0 438.911 4.536 50 0 IJAARN CCOCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631218 556539161 /nfs/dbraw/zinc/53/91/61/556539161.db2.gz PXAOIWJJWSRGSP-UHFFFAOYSA-N 0 0 432.520 4.926 50 0 IJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013654658 556545651 /nfs/dbraw/zinc/54/56/51/556545651.db2.gz SWFYXSGFPPOEFB-NIJIEXERSA-N 0 0 440.927 4.916 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)cc1 ZINC000015767765 556549453 /nfs/dbraw/zinc/54/94/53/556549453.db2.gz BZIBSBTUXIMOAD-XSFVSMFZSA-N 0 0 438.867 4.519 50 0 IJAARN COc1ccc(CC(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778701 556550932 /nfs/dbraw/zinc/55/09/32/556550932.db2.gz POCFEHBVOPTLMQ-QFIPXVFZSA-N 0 0 433.895 4.847 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997186 556551081 /nfs/dbraw/zinc/55/10/81/556551081.db2.gz YQZAKKFVINBVSD-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN COc1ccccc1[C@@H]1Oc2nc(SCC(C)C)nnc2-c2ccccc2N1C(C)=O ZINC000032997439 556551398 /nfs/dbraw/zinc/55/13/98/556551398.db2.gz GOBNHVKPKXKPOE-QFIPXVFZSA-N 0 0 436.537 4.739 50 0 IJAARN COc1cc(C=C2SC(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000015800712 556552993 /nfs/dbraw/zinc/55/29/93/556552993.db2.gz PHGJLDRKNXZAEK-WQRHYEAKSA-N 0 0 433.913 4.747 50 0 IJAARN COc1cccc(CN(C)C(=O)c2csc(COc3ccc(Cl)cc3)n2)c1OC ZINC000032906835 556554157 /nfs/dbraw/zinc/55/41/57/556554157.db2.gz VMDPPTXOHRCLLW-UHFFFAOYSA-N 0 0 432.929 4.665 50 0 IJAARN CCc1cc(Sc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033114881 556554163 /nfs/dbraw/zinc/55/41/63/556554163.db2.gz MRTLJFJLXOFXBC-UHFFFAOYSA-N 0 0 439.928 4.509 50 0 IJAARN COc1ccc(NC(=O)c2ccc(CN3C[C@@H](C)C(=O)N(C)c4ccccc43)cc2)cc1 ZINC000072305660 556554318 /nfs/dbraw/zinc/55/43/18/556554318.db2.gz KIBATBZHDHJDMM-GOSISDBHSA-N 0 0 429.520 4.567 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1C ZINC000033115416 556554881 /nfs/dbraw/zinc/55/48/81/556554881.db2.gz VHJLXNKLVQQUHG-UHFFFAOYSA-N 0 0 426.582 4.503 50 0 IJAARN CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000033115555 556555492 /nfs/dbraw/zinc/55/54/92/556555492.db2.gz RLGTXFCATMAMFQ-UHFFFAOYSA-N 0 0 426.582 4.530 50 0 IJAARN Cc1c(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(C)ccc3n2)cnn1-c1ccc(C)cc1 ZINC000033258123 556557265 /nfs/dbraw/zinc/55/72/65/556557265.db2.gz YGHCPXNJNDBNSY-NRFANRHFSA-N 0 0 440.547 4.922 50 0 IJAARN COc1cc(C)c(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1OC ZINC000072306872 556560630 /nfs/dbraw/zinc/56/06/30/556560630.db2.gz JHYRAHVDAPXODT-HXUWFJFHSA-N 0 0 433.346 4.550 50 0 IJAARN O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000032907946 556563847 /nfs/dbraw/zinc/56/38/47/556563847.db2.gz QMJGIKDQLOSGME-UHFFFAOYSA-N 0 0 447.542 4.773 50 0 IJAARN Cc1ccc(C(=O)N(C)CCc2noc(COc3ccc(Cl)cc3Cl)n2)cc1F ZINC000032961024 556571854 /nfs/dbraw/zinc/57/18/54/556571854.db2.gz JVNPBILPLNBHRE-UHFFFAOYSA-N 0 0 438.286 4.718 50 0 IJAARN CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000001158989 556574125 /nfs/dbraw/zinc/57/41/25/556574125.db2.gz ZLEJRLPCXILKNC-UHFFFAOYSA-N 0 0 428.897 4.596 50 0 IJAARN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001201478 556574455 /nfs/dbraw/zinc/57/44/55/556574455.db2.gz ZSPBARMCJFCGLS-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN CCCCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001777491 556574733 /nfs/dbraw/zinc/57/47/33/556574733.db2.gz FNQHGJAKSWSQEQ-HSZRJFAPSA-N 0 0 442.515 4.712 50 0 IJAARN Cc1ccc(C)c(OCCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c1 ZINC000032910348 556574834 /nfs/dbraw/zinc/57/48/34/556574834.db2.gz FSBYCSMJRVVEIM-UHFFFAOYSA-N 0 0 438.549 4.762 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2C2CCCCC2)cc1OC ZINC000016044396 556578631 /nfs/dbraw/zinc/57/86/31/556578631.db2.gz AOZGEPDSBZRSRW-MRXNPFEDSA-N 0 0 446.617 4.720 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)cc1 ZINC000032910681 556584408 /nfs/dbraw/zinc/58/44/08/556584408.db2.gz FBEBNCIELRDDDU-AREMUKBSSA-N 0 0 449.551 4.826 50 0 IJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000016180339 556587231 /nfs/dbraw/zinc/58/72/31/556587231.db2.gz XUPMUUWYINMNCF-UHFFFAOYSA-N 0 0 429.004 4.867 50 0 IJAARN Cc1csc(SCc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)n1 ZINC000032967403 556587665 /nfs/dbraw/zinc/58/76/65/556587665.db2.gz DEOWKOZGGYLRBN-UHFFFAOYSA-N 0 0 445.654 4.509 50 0 IJAARN C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016225953 556592393 /nfs/dbraw/zinc/59/23/93/556592393.db2.gz MSUDJJLYIIQOQD-GHBBBJGXSA-N 0 0 438.656 4.867 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000036164381 556594350 /nfs/dbraw/zinc/59/43/50/556594350.db2.gz SPRHBVUMBKVWKO-SANMLTNESA-N 0 0 428.557 4.892 50 0 IJAARN O=C(c1cc(Br)ccc1Cl)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000032913593 556594464 /nfs/dbraw/zinc/59/44/64/556594464.db2.gz OINPXPHDYXLCTK-UHFFFAOYSA-N 0 0 428.717 4.758 50 0 IJAARN COc1ccccc1CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000036246538 556595290 /nfs/dbraw/zinc/59/52/90/556595290.db2.gz XMPQQZBCQSCMSC-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN COc1ccc(Nc2ccccc2NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1 ZINC000032981893 556601464 /nfs/dbraw/zinc/60/14/64/556601464.db2.gz UJYSAWDYDLFPGM-OAQYLSRUSA-N 0 0 438.915 4.830 50 0 IJAARN COc1ccc(Nc2ccccc2NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1 ZINC000032981895 556601470 /nfs/dbraw/zinc/60/14/70/556601470.db2.gz UJYSAWDYDLFPGM-NRFANRHFSA-N 0 0 438.915 4.830 50 0 IJAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)c(OC)c1 ZINC000016382583 556604110 /nfs/dbraw/zinc/60/41/10/556604110.db2.gz BMXKFERSGHGIOV-GOSISDBHSA-N 0 0 444.329 4.853 50 0 IJAARN CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000016400423 556605557 /nfs/dbraw/zinc/60/55/57/556605557.db2.gz AYAPNHVFEZFFKR-MRVPVSSYSA-N 0 0 444.660 4.769 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(CCCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1 ZINC000032995133 556609964 /nfs/dbraw/zinc/60/99/64/556609964.db2.gz JQEBTTKUIQDRKT-SFHVURJKSA-N 0 0 436.581 4.559 50 0 IJAARN Cc1nc2ccc(C(=O)OCc3ccc(S(=O)(=O)Cc4ccccc4)cc3)cc2nc1C ZINC000016488874 556612096 /nfs/dbraw/zinc/61/20/96/556612096.db2.gz AYZFDMAFEFAPKH-UHFFFAOYSA-N 0 0 446.528 4.578 50 0 IJAARN COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1Cl ZINC000038486530 556612643 /nfs/dbraw/zinc/61/26/43/556612643.db2.gz HZOMCLDPKGJNHX-UHFFFAOYSA-N 0 0 443.887 4.565 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000033673571 556620681 /nfs/dbraw/zinc/62/06/81/556620681.db2.gz BYQIQNLWBXQOLD-UHFFFAOYSA-N 0 0 429.568 4.655 50 0 IJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1cccs1 ZINC000033670965 556620688 /nfs/dbraw/zinc/62/06/88/556620688.db2.gz KECDYMXLZLGCBY-UHFFFAOYSA-N 0 0 429.519 4.867 50 0 IJAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc(Br)cc1 ZINC000016677720 556622619 /nfs/dbraw/zinc/62/26/19/556622619.db2.gz NQNVBKMOPBGPLE-QFIPXVFZSA-N 0 0 448.368 4.955 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)c1 ZINC000032999174 556627326 /nfs/dbraw/zinc/62/73/26/556627326.db2.gz SMBCXXAIZAAUAU-UHFFFAOYSA-N 0 0 427.464 4.563 50 0 IJAARN CCn1c2ccccc2nc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699031 556629142 /nfs/dbraw/zinc/62/91/42/556629142.db2.gz GDRHASLROUEHDR-UHFFFAOYSA-N 0 0 426.520 4.700 50 0 IJAARN CCCCCCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O ZINC000016735834 556633266 /nfs/dbraw/zinc/63/32/66/556633266.db2.gz AQHNXQOMHANPIT-BDNXVVLJSA-N 0 0 431.561 4.828 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000097938712 556634926 /nfs/dbraw/zinc/63/49/26/556634926.db2.gz ISBCSDJGXLXGEJ-NRFANRHFSA-N 0 0 441.535 4.572 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)c1 ZINC000016741445 556635504 /nfs/dbraw/zinc/63/55/04/556635504.db2.gz NXYFAHIWJFVNIV-HSZRJFAPSA-N 0 0 426.472 4.872 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000037557260 556645388 /nfs/dbraw/zinc/64/53/88/556645388.db2.gz PNZFDEYJTCDJNI-AREMUKBSSA-N 0 0 442.559 4.680 50 0 IJAARN Cc1ccccc1C(=O)N1CCO[C@@H](CN(CC(C)C)C(=O)c2cccc3ccccc32)C1 ZINC000037607952 556645921 /nfs/dbraw/zinc/64/59/21/556645921.db2.gz KWLSYFAXHCQAIE-HSZRJFAPSA-N 0 0 444.575 4.788 50 0 IJAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1C ZINC000016842760 556646348 /nfs/dbraw/zinc/64/63/48/556646348.db2.gz KUMHREROIOGKMU-UHFFFAOYSA-N 0 0 431.883 4.532 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000037601749 556646404 /nfs/dbraw/zinc/64/64/04/556646404.db2.gz IYRTUZCBFWDWSB-UIOOFZCWSA-N 0 0 448.607 4.809 50 0 IJAARN O=C(CSc1ccc(NC(=O)c2cccs2)nn1)Nc1ccc(C(F)(F)F)cc1 ZINC000011739371 556649316 /nfs/dbraw/zinc/64/93/16/556649316.db2.gz IPTGFSNZEDDHIY-UHFFFAOYSA-N 0 0 438.456 4.540 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccs2)cc1 ZINC000016957248 556650692 /nfs/dbraw/zinc/65/06/92/556650692.db2.gz JFUDKSCELSXUAY-NRFANRHFSA-N 0 0 449.532 4.513 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc(OCC)c1OCC ZINC000011757668 556651522 /nfs/dbraw/zinc/65/15/22/556651522.db2.gz IALWVPGENYJVGX-UHFFFAOYSA-N 0 0 446.544 4.767 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nc(C)ncc3-c3cccc(C)c3)C2)c1 ZINC000011784378 556655244 /nfs/dbraw/zinc/65/52/44/556655244.db2.gz WRWRDHABPMVCQH-JOCHJYFZSA-N 0 0 429.520 4.567 50 0 IJAARN Cc1cccc(CNC(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc(C)c3=O)cc2)c1 ZINC000033005999 556655262 /nfs/dbraw/zinc/65/52/62/556655262.db2.gz IAMSNUHYFXDYQY-UHFFFAOYSA-N 0 0 425.532 4.608 50 0 IJAARN Cc1cc(NS(=O)(=O)c2ccccc2C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007822 556656746 /nfs/dbraw/zinc/65/67/46/556656746.db2.gz ZOZJHOWDSOFXLC-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccccc1Cl ZINC000011835438 556659624 /nfs/dbraw/zinc/65/96/24/556659624.db2.gz OSBRYHSXHSQLBP-UHFFFAOYSA-N 0 0 434.348 4.951 50 0 IJAARN CCc1c(C)sc(NC(=S)Nc2ccn(Cc3ccc(C)cc3)n2)c1C(=O)OC ZINC000017096113 556659733 /nfs/dbraw/zinc/65/97/33/556659733.db2.gz HRPRUIQYGZMHPR-UHFFFAOYSA-N 0 0 428.583 4.768 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1 ZINC000033012366 556661049 /nfs/dbraw/zinc/66/10/49/556661049.db2.gz GXMOYBSRHUFNDX-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COc1cc(C(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc(OC)c1OC ZINC000033012738 556661844 /nfs/dbraw/zinc/66/18/44/556661844.db2.gz MYKPFRWWQGSNKD-UHFFFAOYSA-N 0 0 445.475 4.990 50 0 IJAARN CCOc1ccccc1NC(=O)COc1ccc(-c2noc(-c3ccccc3)n2)cc1OC ZINC000033013070 556662380 /nfs/dbraw/zinc/66/23/80/556662380.db2.gz UPBWMLRASIAYHK-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN Cc1ccc(Cl)c(O[C@H](C)c2nnc(SCC(=O)NC3CCCCCC3)n2C)c1 ZINC000017101017 556665922 /nfs/dbraw/zinc/66/59/22/556665922.db2.gz VVPPLDNNNSBJIO-OAHLLOKOSA-N 0 0 437.009 4.848 50 0 IJAARN Cc1cccc(COn2cccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2=O)c1 ZINC000017122964 556668597 /nfs/dbraw/zinc/66/85/97/556668597.db2.gz UVTJUTCPPZLAHM-UHFFFAOYSA-N 0 0 436.817 4.710 50 0 IJAARN Cc1cccc([C@@H]2c3c(=O)[nH]c(SCC(C)C)nc3NC(C)=C2C(=O)OC(C)C)c1 ZINC000017122829 556668640 /nfs/dbraw/zinc/66/86/40/556668640.db2.gz SHALIJJTFFYUNQ-SFHVURJKSA-N 0 0 427.570 4.609 50 0 IJAARN O=C(NCCc1cccs1)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC000032932516 556675668 /nfs/dbraw/zinc/67/56/68/556675668.db2.gz KLVLJAXVDOTJPL-UHFFFAOYSA-N 0 0 435.368 4.797 50 0 IJAARN CCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)c1C ZINC000011935334 556675777 /nfs/dbraw/zinc/67/57/77/556675777.db2.gz JYRZHIDBJNNNGM-IBGZPJMESA-N 0 0 434.515 4.578 50 0 IJAARN COCCn1c2ccccc2nc1SCCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010621004 556679346 /nfs/dbraw/zinc/67/93/46/556679346.db2.gz HEWMIWGSPWLPGA-UHFFFAOYSA-N 0 0 445.393 4.556 50 0 IJAARN O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000017987899 556680877 /nfs/dbraw/zinc/68/08/77/556680877.db2.gz PDEMYLGAPLJZEH-ZEQRLZLVSA-N 0 0 437.495 4.880 50 0 IJAARN CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC ZINC000018106508 556684147 /nfs/dbraw/zinc/68/41/47/556684147.db2.gz FZZFVPLLCPFSKZ-JOCHJYFZSA-N 0 0 439.581 4.696 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000018210436 556687178 /nfs/dbraw/zinc/68/71/78/556687178.db2.gz ZBUGVSRIXXTQOJ-KBXCAEBGSA-N 0 0 430.386 4.524 50 0 IJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000046005939 556690079 /nfs/dbraw/zinc/69/00/79/556690079.db2.gz IAOSLPVGDOJZQG-UHFFFAOYSA-N 0 0 442.563 4.993 50 0 IJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1Cl ZINC000032937510 556690154 /nfs/dbraw/zinc/69/01/54/556690154.db2.gz LXSKDVANVWRBDR-QGZVFWFLSA-N 0 0 435.883 4.948 50 0 IJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 ZINC000010643924 556691080 /nfs/dbraw/zinc/69/10/80/556691080.db2.gz MZOVKFTVSCDSSQ-KRWDZBQOSA-N 0 0 448.748 4.613 50 0 IJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)cc2)c1 ZINC000046138874 556691541 /nfs/dbraw/zinc/69/15/41/556691541.db2.gz PERQTNPJTQRQED-OAQYLSRUSA-N 0 0 431.536 4.798 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033026093 556702605 /nfs/dbraw/zinc/70/26/05/556702605.db2.gz PMPTXXKPMXWYBM-UHFFFAOYSA-N 0 0 431.517 4.556 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 ZINC000013721795 556717352 /nfs/dbraw/zinc/71/73/52/556717352.db2.gz AJCCBSCIKJECBU-UHFFFAOYSA-N 0 0 445.427 4.633 50 0 IJAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 ZINC000033036158 556718657 /nfs/dbraw/zinc/71/86/57/556718657.db2.gz DHLJASQATLJCQY-UHFFFAOYSA-N 0 0 431.359 4.835 50 0 IJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2ccc(C)cn2)cc1 ZINC000033037008 556719967 /nfs/dbraw/zinc/71/99/67/556719967.db2.gz ITOZHEWWPBOKAC-UHFFFAOYSA-N 0 0 425.492 4.762 50 0 IJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NCc4ccc(C)cc4)ccc3[nH]2)cc1 ZINC000033037452 556722929 /nfs/dbraw/zinc/72/29/29/556722929.db2.gz CKNAUZNOHGXAAA-UHFFFAOYSA-N 0 0 426.520 4.545 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1ccccc1C(=O)c1cccs1 ZINC000019238272 556722977 /nfs/dbraw/zinc/72/29/77/556722977.db2.gz ODSDKVPSBFYRFO-UHFFFAOYSA-N 0 0 448.544 4.683 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc3[nH]c(CCc4ccc(NC(C)=O)cc4)nc3c2)cc1 ZINC000033037454 556722979 /nfs/dbraw/zinc/72/29/79/556722979.db2.gz GZTWPWPFFGUUKC-UHFFFAOYSA-N 0 0 442.519 4.958 50 0 IJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000072328717 556726507 /nfs/dbraw/zinc/72/65/07/556726507.db2.gz BUJXUBULGGJUBD-UHFFFAOYSA-N 0 0 438.959 4.708 50 0 IJAARN COc1ccc(NC(=O)[C@@H](Sc2ccc(-n3nc(C)cc3C)nn2)c2ccccc2)cc1 ZINC000011142089 556728314 /nfs/dbraw/zinc/72/83/14/556728314.db2.gz BKWLBGDSSRGWGQ-QHCPKHFHSA-N 0 0 445.548 4.760 50 0 IJAARN COc1ccc(Cl)cc1CN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000054290446 556729734 /nfs/dbraw/zinc/72/97/34/556729734.db2.gz CNVDQHWADRVSTP-UHFFFAOYSA-N 0 0 428.989 4.554 50 0 IJAARN Cc1nn2c(nc(C)cc2N2CCN(Cc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054274587 556729772 /nfs/dbraw/zinc/72/97/72/556729772.db2.gz WXNBCLJTZORPOE-UHFFFAOYSA-N 0 0 431.971 4.989 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)[nH]n2)cc1 ZINC000072331241 556730143 /nfs/dbraw/zinc/73/01/43/556730143.db2.gz GLEDRTYEXQKJFN-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000061722740 556731182 /nfs/dbraw/zinc/73/11/82/556731182.db2.gz UXSFFIBVFWPHET-HOIFWPIMSA-N 0 0 427.520 4.817 50 0 IJAARN CCSc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055088370 556733921 /nfs/dbraw/zinc/73/39/21/556733921.db2.gz KOIUUBRFFPJUOB-NRFANRHFSA-N 0 0 449.580 4.769 50 0 IJAARN CN1CCN(C(=O)c2c3c(sc2NC(=O)c2cccs2)C[C@@H](C(C)(C)C)CC3)CC1 ZINC000055480141 556741611 /nfs/dbraw/zinc/74/16/11/556741611.db2.gz HRZYTRVOYRNRLM-HNNXBMFYSA-N 0 0 445.654 4.601 50 0 IJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)NCCc1c[nH]c2ccccc12 ZINC000019354868 556745183 /nfs/dbraw/zinc/74/51/83/556745183.db2.gz XHONPUQFTFWAHA-UHFFFAOYSA-N 0 0 430.455 4.581 50 0 IJAARN Cc1ccc(-c2csc3c2[nH]c(N2CCN(c4cc(C)ccc4C)CC2)nc3=O)cc1 ZINC000056987105 556745255 /nfs/dbraw/zinc/74/52/55/556745255.db2.gz OOWXBJXSFYPTGR-UHFFFAOYSA-N 0 0 430.577 4.903 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1ccc(F)cc1 ZINC000033048884 556745489 /nfs/dbraw/zinc/74/54/89/556745489.db2.gz BOIHIHSXWLITLB-UHFFFAOYSA-N 0 0 425.822 4.634 50 0 IJAARN CN(c1ccc(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1F)C1CCCCC1 ZINC000058147395 556762006 /nfs/dbraw/zinc/76/20/06/556762006.db2.gz KUFSMCLRPIWLAO-UHFFFAOYSA-N 0 0 444.576 4.646 50 0 IJAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000058158652 556763580 /nfs/dbraw/zinc/76/35/80/556763580.db2.gz VHSXQDDVLOLPIU-MOPGFXCFSA-N 0 0 446.532 4.997 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058160600 556764571 /nfs/dbraw/zinc/76/45/71/556764571.db2.gz NWWFEAQIIXZYHW-DEOSSOPVSA-N 0 0 431.511 4.856 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000058169368 556767789 /nfs/dbraw/zinc/76/77/89/556767789.db2.gz OMDLYRIAJHRZTJ-OAQYLSRUSA-N 0 0 445.922 4.696 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)OC(C)(C)C)n1CCc1ccccc1 ZINC000005362527 556767986 /nfs/dbraw/zinc/76/79/86/556767986.db2.gz IBYXBIVVNYFMLG-UHFFFAOYSA-N 0 0 425.554 4.630 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc(-c2ccncc2)no1 ZINC000058244759 556775029 /nfs/dbraw/zinc/77/50/29/556775029.db2.gz WHQCSSSMUDDTPK-FQEVSTJZSA-N 0 0 436.443 4.570 50 0 IJAARN CC[C@@]1(c2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CCC(=O)NC1=O ZINC000058309629 556779534 /nfs/dbraw/zinc/77/95/34/556779534.db2.gz AXDKKDWRXPRJMI-NDEPHWFRSA-N 0 0 440.543 4.809 50 0 IJAARN Cc1cc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)n(-c2ccc(C)cc2)n1 ZINC000058325443 556781049 /nfs/dbraw/zinc/78/10/49/556781049.db2.gz DHJBBCQVIQKIBD-UHFFFAOYSA-N 0 0 447.564 4.548 50 0 IJAARN O=C(Nc1ccc(I)cc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000058358271 556782960 /nfs/dbraw/zinc/78/29/60/556782960.db2.gz JJWRXPQUBYNOHZ-UHFFFAOYSA-N 0 0 429.261 4.607 50 0 IJAARN Cc1nc(C)c([C@@H](C)NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)s1 ZINC000058406489 556785820 /nfs/dbraw/zinc/78/58/20/556785820.db2.gz HLNPYIFGQNSXCQ-OAHLLOKOSA-N 0 0 427.595 4.816 50 0 IJAARN O=C(Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1 ZINC000058414297 556786540 /nfs/dbraw/zinc/78/65/40/556786540.db2.gz WOEVKCAXGPVMKW-UHFFFAOYSA-N 0 0 436.458 4.943 50 0 IJAARN CCCn1c(C)c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c2cc(OC)ccc21 ZINC000058418986 556787011 /nfs/dbraw/zinc/78/70/11/556787011.db2.gz NWQNWQODMBPKNU-IRXDYDNUSA-N 0 0 436.556 4.629 50 0 IJAARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)cc1 ZINC000059251176 556795953 /nfs/dbraw/zinc/79/59/53/556795953.db2.gz GKFJBJCBLKVNRB-ZDUSSCGKSA-N 0 0 437.521 4.680 50 0 IJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000059257790 556796457 /nfs/dbraw/zinc/79/64/57/556796457.db2.gz JXVDTMWCVKTURB-UHFFFAOYSA-N 0 0 436.478 4.635 50 0 IJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000001518519 556797410 /nfs/dbraw/zinc/79/74/10/556797410.db2.gz XTWFDQCPTZADKZ-UHFFFAOYSA-N 0 0 443.484 4.575 50 0 IJAARN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000059404351 556799791 /nfs/dbraw/zinc/79/97/91/556799791.db2.gz QQHRAYIQJYGMOS-HNNXBMFYSA-N 0 0 434.437 4.773 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002635172 556801249 /nfs/dbraw/zinc/80/12/49/556801249.db2.gz MFGIXZSWYPTYLP-UHFFFAOYSA-N 0 0 435.263 4.761 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)OCC(=O)c1ccc(Br)s1 ZINC000002647559 556801960 /nfs/dbraw/zinc/80/19/60/556801960.db2.gz BTKYBWRXEKIPHF-DHZHZOJOSA-N 0 0 445.338 4.752 50 0 IJAARN COc1cc(OC)c(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000002650815 556802282 /nfs/dbraw/zinc/80/22/82/556802282.db2.gz PLYBSYIFOYVYQW-UHFFFAOYSA-N 0 0 427.884 4.954 50 0 IJAARN COCCNC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1Cl ZINC000059877125 556805179 /nfs/dbraw/zinc/80/51/79/556805179.db2.gz RLGGTLWBJBLGOV-HNNXBMFYSA-N 0 0 440.927 4.620 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000060017788 556805782 /nfs/dbraw/zinc/80/57/82/556805782.db2.gz JPLZRMMYURJCFZ-UHFFFAOYSA-N 0 0 441.934 4.511 50 0 IJAARN CCOc1ccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003239112 556806567 /nfs/dbraw/zinc/80/65/67/556806567.db2.gz UVEUNVPJTKLQIL-UHFFFAOYSA-N 0 0 432.687 4.606 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N)c1cccc2ccccc21 ZINC000003364597 556811971 /nfs/dbraw/zinc/81/19/71/556811971.db2.gz PBTKXMYIQXSZDC-UHFFFAOYSA-N 0 0 437.956 4.611 50 0 IJAARN O=c1[nH]c(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)nc2ccccc12 ZINC000003338796 556813125 /nfs/dbraw/zinc/81/31/25/556813125.db2.gz HXLQGVVJHAFCCA-UHFFFAOYSA-N 0 0 446.919 4.568 50 0 IJAARN Cc1cc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1 ZINC000003353553 556813893 /nfs/dbraw/zinc/81/38/93/556813893.db2.gz WZWOOKCUSOYDAS-UHFFFAOYSA-N 0 0 426.851 4.979 50 0 IJAARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N([C@@H](C)CC)C2=O)cc1OCC ZINC000096473216 556816469 /nfs/dbraw/zinc/81/64/69/556816469.db2.gz IZVQHLYNZIVTOM-KPENOIPVSA-N 0 0 441.933 4.515 50 0 IJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1cccc(Cl)c1Cl ZINC000003483755 556816596 /nfs/dbraw/zinc/81/65/96/556816596.db2.gz XAVCNQSCCLCEQP-UHFFFAOYSA-N 0 0 433.247 4.634 50 0 IJAARN CC(C)[C@H](C)NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003511815 556817056 /nfs/dbraw/zinc/81/70/56/556817056.db2.gz DZLQWKNYIGLKAR-AWEZNQCLSA-N 0 0 449.502 4.601 50 0 IJAARN O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2Br)n1Cc1ccccc1 ZINC000003562230 556817604 /nfs/dbraw/zinc/81/76/04/556817604.db2.gz WDHYURHLYXECEF-SFHVURJKSA-N 0 0 428.355 4.970 50 0 IJAARN COc1ccc([C@H](CNC(=O)NCc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000033062421 556818073 /nfs/dbraw/zinc/81/80/73/556818073.db2.gz TYHLIVZCOURQNF-NRFANRHFSA-N 0 0 447.510 4.956 50 0 IJAARN Cc1c(C(=O)Nc2sc(Nc3ccccc3)nc2C(N)=O)c(C)n(C)c1-c1ccccc1 ZINC000033063557 556818708 /nfs/dbraw/zinc/81/87/08/556818708.db2.gz AVOQFQBBARZFKV-UHFFFAOYSA-N 0 0 445.548 4.860 50 0 IJAARN O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)Nc1ccc(F)c(Cl)c1 ZINC000033067764 556819540 /nfs/dbraw/zinc/81/95/40/556819540.db2.gz UKMZCISGKGJFGM-UHFFFAOYSA-N 0 0 438.846 4.710 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1OCc1cc(=O)n2ccc(C)cc2n1)c1ccccc1 ZINC000033068004 556819818 /nfs/dbraw/zinc/81/98/18/556819818.db2.gz JLFNSIRKBUNJOS-NRFANRHFSA-N 0 0 427.504 4.714 50 0 IJAARN Cc1cccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4c(C)cc(C)cc4C)cc32)c1 ZINC000065002930 556831274 /nfs/dbraw/zinc/83/12/74/556831274.db2.gz VTRQIKJKCMHLCE-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN O=S(=O)(c1ccc(-c2cnc(C3CCCC3)o2)s1)N1CCN(c2ccccc2)CC1 ZINC000065004680 556831762 /nfs/dbraw/zinc/83/17/62/556831762.db2.gz IIKGOERTWGUWQM-UHFFFAOYSA-N 0 0 443.594 4.572 50 0 IJAARN CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004895 556831974 /nfs/dbraw/zinc/83/19/74/556831974.db2.gz UBSHPHPEPBPVNR-UHFFFAOYSA-N 0 0 432.567 4.938 50 0 IJAARN CCOc1cccc(-c2cc(C(=O)N3NC(C)=C[C@@]3(O)C(F)(F)F)c3ccccc3n2)c1 ZINC000019637851 556836220 /nfs/dbraw/zinc/83/62/20/556836220.db2.gz GBOVLXCQQNFDAD-JOCHJYFZSA-N 0 0 443.425 4.773 50 0 IJAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000062580485 556836206 /nfs/dbraw/zinc/83/62/06/556836206.db2.gz PXSZTJYERKFUJQ-UHFFFAOYSA-N 0 0 425.872 4.715 50 0 IJAARN C[C@H]1CCc2c(C(=O)Nn3c(=O)c4c5c(sc4[nH]c3=S)CCCCC5)csc2C1 ZINC000019644005 556838987 /nfs/dbraw/zinc/83/89/87/556838987.db2.gz PMPIINVQNYEVGJ-NSHDSACASA-N 0 0 445.635 4.960 50 0 IJAARN O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 ZINC000008719392 556843213 /nfs/dbraw/zinc/84/32/13/556843213.db2.gz OFGFLGMTRTWYQG-HHHXNRCGSA-N 0 0 439.515 4.613 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000008884465 556850750 /nfs/dbraw/zinc/85/07/50/556850750.db2.gz QQCSOEFRCFQUSB-AQTBWJFISA-N 0 0 425.370 4.589 50 0 IJAARN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)c1cccnc1Cl ZINC000008882849 556850781 /nfs/dbraw/zinc/85/07/81/556850781.db2.gz MVCHGGXLHXOQBQ-UHFFFAOYSA-N 0 0 438.661 4.777 50 0 IJAARN COc1cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc(OC)c1 ZINC000033072629 556852288 /nfs/dbraw/zinc/85/22/88/556852288.db2.gz PPHOTIZYHMWACQ-UHFFFAOYSA-N 0 0 444.535 4.767 50 0 IJAARN O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033073199 556852588 /nfs/dbraw/zinc/85/25/88/556852588.db2.gz HJJXSRMIDSJHGA-UHFFFAOYSA-N 0 0 434.971 4.841 50 0 IJAARN Cc1ccc(-c2noc3ncnc(N4CCC(C(=O)N(C)c5cccc(C)c5)CC4)c32)cc1 ZINC000033084984 556855071 /nfs/dbraw/zinc/85/50/71/556855071.db2.gz GPDOUPRNOHLGSC-UHFFFAOYSA-N 0 0 441.535 4.781 50 0 IJAARN Cc1cc(N2CCC(C(=O)NC3CCCCCC3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000033115862 556861726 /nfs/dbraw/zinc/86/17/26/556861726.db2.gz TYOFHYVDYCAAMA-UHFFFAOYSA-N 0 0 431.584 4.760 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2F)C1 ZINC000033116274 556862047 /nfs/dbraw/zinc/86/20/47/556862047.db2.gz FTXYKBDBZSRJLK-MRXNPFEDSA-N 0 0 440.540 4.802 50 0 IJAARN CCCCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccc(C)cc4)oc3c2)CC1 ZINC000033116042 556862049 /nfs/dbraw/zinc/86/20/49/556862049.db2.gz MMVHZOVFWOMYDG-UHFFFAOYSA-N 0 0 433.552 4.962 50 0 IJAARN c1ccc(CCNc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000019706567 556864910 /nfs/dbraw/zinc/86/49/10/556864910.db2.gz BLEUZQGNTNEDGM-UHFFFAOYSA-N 0 0 445.592 4.610 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128195 556865267 /nfs/dbraw/zinc/86/52/67/556865267.db2.gz ACWJKINXUSANAA-HNNXBMFYSA-N 0 0 441.940 4.516 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128192 556865285 /nfs/dbraw/zinc/86/52/85/556865285.db2.gz IYWQJWXPMJBYNS-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)NCCC3=CCCCC3)ccc2=O)cc1Cl ZINC000033128212 556865316 /nfs/dbraw/zinc/86/53/16/556865316.db2.gz CBOKZLWMIAULDR-MRXNPFEDSA-N 0 0 431.989 4.682 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)NCCC3=CCCCC3)ccc2=O)cc1Cl ZINC000033128213 556865332 /nfs/dbraw/zinc/86/53/32/556865332.db2.gz CBOKZLWMIAULDR-INIZCTEOSA-N 0 0 431.989 4.682 50 0 IJAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCc1ccc(F)cc1 ZINC000033125803 556866748 /nfs/dbraw/zinc/86/67/48/556866748.db2.gz CIDPBSVDZZBTGT-UHFFFAOYSA-N 0 0 432.927 4.613 50 0 IJAARN C[C@@H](NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1)c1ccccc1 ZINC000004672638 556867792 /nfs/dbraw/zinc/86/77/92/556867792.db2.gz BDEOCNNGCMRCHZ-GOSISDBHSA-N 0 0 427.589 4.712 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130016 556869603 /nfs/dbraw/zinc/86/96/03/556869603.db2.gz FMUVWAJRLYULTI-UHFFFAOYSA-N 0 0 438.524 4.920 50 0 IJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NCc4cccc(OC)c4)c3)nn2)cc1 ZINC000033130999 556871262 /nfs/dbraw/zinc/87/12/62/556871262.db2.gz COCWNQPHIUEVJW-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN COc1ccc(CNC(=O)c2cccc(-c3ccc(Oc4ccc(OC)cc4)nn3)c2)cc1 ZINC000033131000 556871373 /nfs/dbraw/zinc/87/13/73/556871373.db2.gz BWBZFLWEVZQYTN-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1ccc(-c2nccc(Oc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)n2)cc1 ZINC000033139201 556873144 /nfs/dbraw/zinc/87/31/44/556873144.db2.gz CWECHXXRKXMIBB-UHFFFAOYSA-N 0 0 439.471 4.903 50 0 IJAARN COc1cc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc(OC)c1OC ZINC000033140101 556875644 /nfs/dbraw/zinc/87/56/44/556875644.db2.gz QBVSDFIRCIERDH-UHFFFAOYSA-N 0 0 433.508 4.872 50 0 IJAARN Cc1cc(C)nc(NC(=N)N(CCc2c[nH]c3ccccc23)C(=S)Nc2ccccc2)n1 ZINC000019722871 556876319 /nfs/dbraw/zinc/87/63/19/556876319.db2.gz ZIMFHHGATHDUJX-UHFFFAOYSA-N 0 0 443.580 4.863 50 0 IJAARN CC(=O)N1C(=S)NC(=O)C1=Cc1cc2cc(C)ccc2nc1Sc1ccc(C)cc1 ZINC000033157323 556878480 /nfs/dbraw/zinc/87/84/80/556878480.db2.gz QMBCRLKLALWUSF-NDENLUEZSA-N 0 0 433.558 4.607 50 0 IJAARN CCOc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000033153876 556878586 /nfs/dbraw/zinc/87/85/86/556878586.db2.gz QQOFQRHBJVKYEZ-YBEGLDIGSA-N 0 0 435.705 4.594 50 0 IJAARN COc1ccccc1NC(=O)CSc1nccnc1N1CCC(Cc2ccccc2)CC1 ZINC000033170151 556885489 /nfs/dbraw/zinc/88/54/89/556885489.db2.gz LTPRJZBKYXFZIH-UHFFFAOYSA-N 0 0 448.592 4.675 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccc(F)cc1 ZINC000033249569 556889530 /nfs/dbraw/zinc/88/95/30/556889530.db2.gz KTZXITWTDOGSJY-MHZLTWQESA-N 0 0 445.538 4.768 50 0 IJAARN CC(C)CCN1C(=O)c2c(-n3cccc3)c3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249533 556889562 /nfs/dbraw/zinc/88/95/62/556889562.db2.gz MUPXTKIAJHJWCI-MHZLTWQESA-N 0 0 446.595 4.751 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)C1 ZINC000033252282 556892756 /nfs/dbraw/zinc/89/27/56/556892756.db2.gz FTRPLLOFQLVKHP-XHSDSOJGSA-N 0 0 429.630 4.573 50 0 IJAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)c1 ZINC000033260991 556898068 /nfs/dbraw/zinc/89/80/68/556898068.db2.gz FFZYIUGDGUFCKP-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN Cc1cccc(-c2cc(Nc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)ncn2)c1 ZINC000033261168 556898740 /nfs/dbraw/zinc/89/87/40/556898740.db2.gz VFAMABLLHFCURD-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN COc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)cc1 ZINC000019792592 556915509 /nfs/dbraw/zinc/91/55/09/556915509.db2.gz NLJFNMMJSCPMIU-UHFFFAOYSA-N 0 0 435.574 4.677 50 0 IJAARN COC(=O)c1cccc(O[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000019799975 556917326 /nfs/dbraw/zinc/91/73/26/556917326.db2.gz RAGYJRLZIDVCLZ-INIZCTEOSA-N 0 0 437.106 4.632 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019800496 556917519 /nfs/dbraw/zinc/91/75/19/556917519.db2.gz VDGFVSCKSJTPNU-UHFFFAOYSA-N 0 0 440.996 4.744 50 0 IJAARN Cc1cc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000019823450 556924861 /nfs/dbraw/zinc/92/48/61/556924861.db2.gz DBVGSVAMFRNNMV-UHFFFAOYSA-N 0 0 434.967 4.961 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(OC)cc2)cc1 ZINC000019823878 556925097 /nfs/dbraw/zinc/92/50/97/556925097.db2.gz UTYDIBKOZVUQDW-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN COc1cccc(OC)c1-c1nn2c(nnc2-c2cc(-c3ccc(Cl)cc3)n[nH]2)s1 ZINC000019827423 556925940 /nfs/dbraw/zinc/92/59/40/556925940.db2.gz OJWOLYALYITGEA-UHFFFAOYSA-N 0 0 438.900 4.581 50 0 IJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 ZINC000019859651 556932068 /nfs/dbraw/zinc/93/20/68/556932068.db2.gz DRYLBMQCXNERAS-GOSISDBHSA-N 0 0 434.989 4.644 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)NC(=Nc2nc3ccccc3o2)N1 ZINC000019874508 556935804 /nfs/dbraw/zinc/93/58/04/556935804.db2.gz WDAWQEFFEVVLMI-JOCHJYFZSA-N 0 0 441.466 4.992 50 0 IJAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCc1cc(C)on1 ZINC000020052018 556975088 /nfs/dbraw/zinc/97/50/88/556975088.db2.gz JMYUUFVDZWEYPX-UHFFFAOYSA-N 0 0 427.913 4.945 50 0 IJAARN O=C(NCCC1=CCCCC1)C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033266655 556977739 /nfs/dbraw/zinc/97/77/39/556977739.db2.gz JKBFWSFWWDNDQY-UHFFFAOYSA-N 0 0 447.558 4.759 50 0 IJAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020176649 556995127 /nfs/dbraw/zinc/99/51/27/556995127.db2.gz RFTFFRPVQNFDDY-QFIPXVFZSA-N 0 0 437.540 4.606 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccc(C)cc2C)CC1 ZINC000020191266 556996202 /nfs/dbraw/zinc/99/62/02/556996202.db2.gz GQQFNMSLNYDFGL-UHFFFAOYSA-N 0 0 426.568 4.606 50 0 IJAARN CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020190268 556996249 /nfs/dbraw/zinc/99/62/49/556996249.db2.gz LGJJCYSNVZCZPW-UHFFFAOYSA-N 0 0 427.551 4.695 50 0 IJAARN CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000020191269 556996321 /nfs/dbraw/zinc/99/63/21/556996321.db2.gz YVXXEXDDLACZGY-UHFFFAOYSA-N 0 0 432.959 4.642 50 0 IJAARN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCOCC2)cc1 ZINC000020192392 556996606 /nfs/dbraw/zinc/99/66/06/556996606.db2.gz NMERSNKCXPQLQJ-OAQYLSRUSA-N 0 0 426.538 4.640 50 0 IJAARN COc1cc(OC)cc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020228097 557000963 /nfs/dbraw/zinc/00/09/63/557000963.db2.gz VQTFJPQJMUTAHZ-NRFANRHFSA-N 0 0 449.894 4.927 50 0 IJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccn1-c1ncccn1 ZINC000020235866 557002272 /nfs/dbraw/zinc/00/22/72/557002272.db2.gz FPFGIZJMZYYCDD-SANMLTNESA-N 0 0 435.531 4.905 50 0 IJAARN COc1cccc(C2=N/C(=C/c3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)C(=O)O2)c1 ZINC000098002335 557012339 /nfs/dbraw/zinc/01/23/39/557012339.db2.gz DZOYZWZCXJIMEA-CIAFOILYSA-N 0 0 447.516 4.798 50 0 IJAARN CN1CCc2c(sc3nc(SCc4ccccc4F)n(-c4ccccc4)c(=O)c23)C1 ZINC000020391005 557012844 /nfs/dbraw/zinc/01/28/44/557012844.db2.gz NVDQROLEKWZQMV-UHFFFAOYSA-N 0 0 437.565 4.867 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1 ZINC000045971405 557014239 /nfs/dbraw/zinc/01/42/39/557014239.db2.gz CBJYCBQWISTOSY-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3c(c(=O)n2-c2ccccc2)Cc2ccccc2O3)cc1C ZINC000045994483 557014693 /nfs/dbraw/zinc/01/46/93/557014693.db2.gz UHOJQUGSTXITBK-UHFFFAOYSA-N 0 0 425.488 4.591 50 0 IJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(OCC(=O)N3CCc4ccccc43)cc(C)c12 ZINC000045990588 557016385 /nfs/dbraw/zinc/01/63/85/557016385.db2.gz VBCIZVFDBRNBLS-UHFFFAOYSA-N 0 0 446.938 4.967 50 0 IJAARN C[C@@H]1CCN(C(=O)CNc2cc(Cl)ccc2C(=O)N2CCCC2)c2ccccc2S1 ZINC000071982977 557017217 /nfs/dbraw/zinc/01/72/17/557017217.db2.gz AUHIPXOGKGGLQW-MRXNPFEDSA-N 0 0 444.000 4.905 50 0 IJAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)NCCc3ccc(Cl)cc3)cc(-c3ccccc3)c12 ZINC000045991932 557017559 /nfs/dbraw/zinc/01/75/59/557017559.db2.gz OVSZOCNRWGQHRY-QGZVFWFLSA-N 0 0 448.954 4.723 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)NCCc1ccccc1)cc2-c1ccccc1 ZINC000045992356 557017868 /nfs/dbraw/zinc/01/78/68/557017868.db2.gz PCUCRDCPPDKEHT-LJQANCHMSA-N 0 0 428.536 4.553 50 0 IJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Br)cc1 ZINC000010733092 557022072 /nfs/dbraw/zinc/02/20/72/557022072.db2.gz YZBIVNWOVPKTCK-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN COc1ccc(CCCN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000010738955 557022335 /nfs/dbraw/zinc/02/23/35/557022335.db2.gz OKLPVYMQJIWPIZ-UHFFFAOYSA-N 0 0 429.520 4.748 50 0 IJAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc2c(c1)OCCO2 ZINC000046022509 557022651 /nfs/dbraw/zinc/02/26/51/557022651.db2.gz HBPMTRLFLGJQPH-UHFFFAOYSA-N 0 0 441.578 4.753 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCC(c4nc5ccccc5s4)CC3)cnc12 ZINC000010746677 557023592 /nfs/dbraw/zinc/02/35/92/557023592.db2.gz RNBFBRNTVPVSRM-UHFFFAOYSA-N 0 0 446.576 4.501 50 0 IJAARN CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4S(C)(=O)=O)n3)oc21 ZINC000010750575 557024404 /nfs/dbraw/zinc/02/44/04/557024404.db2.gz XUTOVKMMOVMEAY-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045347 557025711 /nfs/dbraw/zinc/02/57/11/557025711.db2.gz XVJQEQDIYCCKBQ-DEOSSOPVSA-N 0 0 444.575 4.725 50 0 IJAARN Fc1ccc([C@@H](CNc2ncnc3sc4c(c32)CCCCC4)N2CCOCC2)cc1 ZINC000021742367 557026084 /nfs/dbraw/zinc/02/60/84/557026084.db2.gz JZBDKFXXHTXLPE-LJQANCHMSA-N 0 0 426.561 4.585 50 0 IJAARN CC(=O)c1cccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)c1 ZINC000046046887 557027995 /nfs/dbraw/zinc/02/79/95/557027995.db2.gz LKCNQUFWHYAFNM-UHFFFAOYSA-N 0 0 447.926 4.698 50 0 IJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1OC ZINC000046056866 557028769 /nfs/dbraw/zinc/02/87/69/557028769.db2.gz QUSRRNKYKQRGMM-FQEVSTJZSA-N 0 0 447.535 4.904 50 0 IJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1OC ZINC000046056863 557028781 /nfs/dbraw/zinc/02/87/81/557028781.db2.gz QUSRRNKYKQRGMM-HXUWFJFHSA-N 0 0 447.535 4.904 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)c1ccccc1Cl ZINC000032945466 557029040 /nfs/dbraw/zinc/02/90/40/557029040.db2.gz YWFSSWKMZRUIDT-CHWSQXEVSA-N 0 0 435.908 4.972 50 0 IJAARN CCN(c1ccc2sc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2c1)S(C)(=O)=O ZINC000046058231 557029239 /nfs/dbraw/zinc/02/92/39/557029239.db2.gz QDKPEYLXJKFOFH-UHFFFAOYSA-N 0 0 438.958 4.602 50 0 IJAARN CC(C)CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058756 557029572 /nfs/dbraw/zinc/02/95/72/557029572.db2.gz MJIBTGSKVXWOJT-UHFFFAOYSA-N 0 0 436.986 4.766 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NC3CCCCC3)cc2c1 ZINC000046073522 557029743 /nfs/dbraw/zinc/02/97/43/557029743.db2.gz KBLAAMWIYGAEKZ-UHFFFAOYSA-N 0 0 442.606 4.930 50 0 IJAARN CC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058762 557029772 /nfs/dbraw/zinc/02/97/72/557029772.db2.gz QIDLHARTSXOIBI-ZDUSSCGKSA-N 0 0 436.986 4.908 50 0 IJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077412 557033095 /nfs/dbraw/zinc/03/30/95/557033095.db2.gz PKEQGSFOEBRNKF-UHFFFAOYSA-N 0 0 432.860 4.662 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000022377868 557033707 /nfs/dbraw/zinc/03/37/07/557033707.db2.gz QGLSGJROHDDRQT-UHFFFAOYSA-N 0 0 445.475 4.646 50 0 IJAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000010840715 557034244 /nfs/dbraw/zinc/03/42/44/557034244.db2.gz PDKIQGYROGTVTL-UHFFFAOYSA-N 0 0 439.512 4.884 50 0 IJAARN O=C(c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1)N1CCc2ccccc2C1 ZINC000046079718 557035008 /nfs/dbraw/zinc/03/50/08/557035008.db2.gz DNXQOKYCXPWFDV-UHFFFAOYSA-N 0 0 443.522 4.857 50 0 IJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527673 557035286 /nfs/dbraw/zinc/03/52/86/557035286.db2.gz NYVQHPFTYZUGRQ-WFGTWIFRSA-N 0 0 440.568 4.903 50 0 IJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(Cl)cc4)s3)C2)cc1 ZINC000046122774 557036485 /nfs/dbraw/zinc/03/64/85/557036485.db2.gz PYXKDKSCZQIRGG-MRXNPFEDSA-N 0 0 440.956 4.772 50 0 IJAARN O=C(CC1CCCC1)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123420 557037157 /nfs/dbraw/zinc/03/71/57/557037157.db2.gz JHIZVGCMZQMNNL-OAHLLOKOSA-N 0 0 432.977 4.730 50 0 IJAARN COc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)cc1OC ZINC000017245548 557044410 /nfs/dbraw/zinc/04/44/10/557044410.db2.gz NPSWANNIMDWBPY-KRWDZBQOSA-N 0 0 435.524 4.506 50 0 IJAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4Cl)s3)cc2)CC1 ZINC000017246069 557044677 /nfs/dbraw/zinc/04/46/77/557044677.db2.gz UKGZWGKWFFAUMX-UHFFFAOYSA-N 0 0 449.985 4.623 50 0 IJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc2c1=O ZINC000051357478 557044846 /nfs/dbraw/zinc/04/48/46/557044846.db2.gz RCUOCQBGYZJSQL-UHFFFAOYSA-N 0 0 446.370 4.546 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3ccc(C(C)C)cc3)nc2N)c(OC)c1OC ZINC000032948026 557045194 /nfs/dbraw/zinc/04/51/94/557045194.db2.gz WXPWGGBHTBKGAL-UHFFFAOYSA-N 0 0 427.526 4.849 50 0 IJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000023181239 557045283 /nfs/dbraw/zinc/04/52/83/557045283.db2.gz MWWGIONUPWDDSS-CYFREDJKSA-N 0 0 437.584 4.565 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccsc3)c2)c1 ZINC000048236141 557047277 /nfs/dbraw/zinc/04/72/77/557047277.db2.gz FWTHHAJIRVXPLO-UHFFFAOYSA-N 0 0 434.970 4.783 50 0 IJAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1OC ZINC000033271472 557049216 /nfs/dbraw/zinc/04/92/16/557049216.db2.gz VEKXHFKMGGHCAH-HNNXBMFYSA-N 0 0 434.521 4.590 50 0 IJAARN CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OC ZINC000033271502 557049488 /nfs/dbraw/zinc/04/94/88/557049488.db2.gz CUSHTYRLDBSLNY-INIZCTEOSA-N 0 0 448.548 4.980 50 0 IJAARN Cc1ccc(-c2nc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)cs2)cc1 ZINC000022931093 557050132 /nfs/dbraw/zinc/05/01/32/557050132.db2.gz RYFNLXDUGSOQLE-UHFFFAOYSA-N 0 0 441.000 4.528 50 0 IJAARN Cc1ccc(NC(=O)c2nnc(CN3CCN(Cc4ccc(C(C)C)cc4)CC3)s2)cc1 ZINC000022931410 557050138 /nfs/dbraw/zinc/05/01/38/557050138.db2.gz SUKJGACDVHZMAK-UHFFFAOYSA-N 0 0 449.624 4.540 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 ZINC000022980937 557055777 /nfs/dbraw/zinc/05/57/77/557055777.db2.gz SNUUETRXTUCCIB-NRFANRHFSA-N 0 0 426.513 4.776 50 0 IJAARN Cc1nc(C)c(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)no2)s1 ZINC000033276485 557056893 /nfs/dbraw/zinc/05/68/93/557056893.db2.gz IAXIPQLPAQNQJK-UHFFFAOYSA-N 0 0 446.941 4.931 50 0 IJAARN CCOc1ccccc1NC(=O)N[C@H](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948743 557057862 /nfs/dbraw/zinc/05/78/62/557057862.db2.gz KZAJQOLYHHBIIP-HXUWFJFHSA-N 0 0 448.519 4.798 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)cc1NC(C)=O ZINC000017334271 557060666 /nfs/dbraw/zinc/06/06/66/557060666.db2.gz WTMZUDOXZFAHTE-QHCPKHFHSA-N 0 0 432.586 4.528 50 0 IJAARN O=C(c1cccc(-c2nc(-c3cccc(F)c3)no2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033279101 557061037 /nfs/dbraw/zinc/06/10/37/557061037.db2.gz WMBQVAMWXOPOQM-UHFFFAOYSA-N 0 0 446.457 4.644 50 0 IJAARN Cc1c(N[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000048302859 557064482 /nfs/dbraw/zinc/06/44/82/557064482.db2.gz PSYSPBRRSWNYKT-XMMPIXPASA-N 0 0 426.520 4.585 50 0 IJAARN COC(=O)c1ccc(OC)c(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)c1 ZINC000023126542 557065458 /nfs/dbraw/zinc/06/54/58/557065458.db2.gz HXZCUSBBXZGQKG-UHFFFAOYSA-N 0 0 440.908 4.622 50 0 IJAARN CN(C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)c1ccc(F)cc1 ZINC000023126779 557065476 /nfs/dbraw/zinc/06/54/76/557065476.db2.gz ZXQSAQVPRNUYCU-UHFFFAOYSA-N 0 0 427.888 4.581 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCc3ccccc3C)C2)c1 ZINC000033288806 557066123 /nfs/dbraw/zinc/06/61/23/557066123.db2.gz CYSAOFCLLQFHNK-OAQYLSRUSA-N 0 0 432.593 4.777 50 0 IJAARN O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@H]1c1nccs1 ZINC000023146072 557068266 /nfs/dbraw/zinc/06/82/66/557068266.db2.gz IMCQQKBIVSFNHM-OFVILXPXSA-N 0 0 433.577 4.632 50 0 IJAARN O=C(NCc1ccc(F)cc1Cl)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290512 557068822 /nfs/dbraw/zinc/06/88/22/557068822.db2.gz GWWWNHZZKHJFPK-HNNXBMFYSA-N 0 0 438.890 4.701 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H](OCC(F)(F)F)c1ccccc1 ZINC000048343438 557071351 /nfs/dbraw/zinc/07/13/51/557071351.db2.gz LRDBAHVOEHDCDQ-QGZVFWFLSA-N 0 0 449.256 4.711 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(NC(=O)CC)c4)no3)C2)cc1 ZINC000033289844 557071635 /nfs/dbraw/zinc/07/16/35/557071635.db2.gz VUUBQFQYOWJIBT-IBGZPJMESA-N 0 0 448.523 4.504 50 0 IJAARN CCOc1cccc(-c2noc(-c3nnn(Cc4nc(-c5ccccc5)oc4C)c3C)n2)c1 ZINC000033296852 557072848 /nfs/dbraw/zinc/07/28/48/557072848.db2.gz LDJBHZYITMCEEF-UHFFFAOYSA-N 0 0 442.479 4.714 50 0 IJAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)N(C)Cc3ccc(Cl)s3)o2)c1 ZINC000023223257 557074525 /nfs/dbraw/zinc/07/45/25/557074525.db2.gz LCKDTUKYYPBGLS-UHFFFAOYSA-N 0 0 437.974 4.731 50 0 IJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000033298719 557074633 /nfs/dbraw/zinc/07/46/33/557074633.db2.gz LRUJQJIXUFTQCV-UHFFFAOYSA-N 0 0 432.427 4.869 50 0 IJAARN O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000023230127 557075376 /nfs/dbraw/zinc/07/53/76/557075376.db2.gz VQTCQUJKJWTFEI-UHFFFAOYSA-N 0 0 427.444 4.568 50 0 IJAARN CCN(CCCNC(=O)[C@H]1CCCN(c2nccc3sc(C)cc32)C1)c1ccccc1 ZINC000033299611 557078333 /nfs/dbraw/zinc/07/83/33/557078333.db2.gz HFEPUSOAFLTLDW-FQEVSTJZSA-N 0 0 436.625 4.854 50 0 IJAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(C)c3)n2)cc1 ZINC000049001763 557081095 /nfs/dbraw/zinc/08/10/95/557081095.db2.gz ISECUQKUKLHKFI-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN Cc1ccc(-n2c(=O)c3sccc3nc2N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000033302478 557084052 /nfs/dbraw/zinc/08/40/52/557084052.db2.gz AEYFSHMTXYNHJX-GOSISDBHSA-N 0 0 444.560 4.611 50 0 IJAARN CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000049007712 557085960 /nfs/dbraw/zinc/08/59/60/557085960.db2.gz ZZOILJIXVBZDOE-UHFFFAOYSA-N 0 0 434.565 4.649 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 ZINC000049030446 557089214 /nfs/dbraw/zinc/08/92/14/557089214.db2.gz SHNOCZNRCPOOLR-INIZCTEOSA-N 0 0 429.904 4.770 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000023382486 557089825 /nfs/dbraw/zinc/08/98/25/557089825.db2.gz TZEAFKOGRLUWSK-OAQYLSRUSA-N 0 0 445.910 4.510 50 0 IJAARN COc1cccc2c(Nc3cccc(SC)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003051 557090721 /nfs/dbraw/zinc/09/07/21/557090721.db2.gz WJNGKNJCCBEPCD-UHFFFAOYSA-N 0 0 425.579 4.898 50 0 IJAARN CCCCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004655 557092847 /nfs/dbraw/zinc/09/28/47/557092847.db2.gz CONQSVCTKUZZLR-UHFFFAOYSA-N 0 0 432.524 4.875 50 0 IJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2)no1 ZINC000023489552 557094851 /nfs/dbraw/zinc/09/48/51/557094851.db2.gz OVTLCEPMEIFUMS-UHFFFAOYSA-N 0 0 442.500 4.737 50 0 IJAARN O=C(NC1CC1)c1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000033311728 557095872 /nfs/dbraw/zinc/09/58/72/557095872.db2.gz UHHRXERTKAKEPJ-MRXNPFEDSA-N 0 0 446.469 4.529 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3cc(Oc4cccc(C)c4C)ncn3)CC2)cc1 ZINC000033312019 557096034 /nfs/dbraw/zinc/09/60/34/557096034.db2.gz RXZHRBFJVFFDLQ-UHFFFAOYSA-N 0 0 444.579 4.981 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c(C)c1 ZINC000033312735 557096563 /nfs/dbraw/zinc/09/65/63/557096563.db2.gz YQYRWYFJXYKYKK-IBGZPJMESA-N 0 0 434.561 4.546 50 0 IJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H]4CCc5ccccc54)CC3)ncn2)cc1 ZINC000049401955 557097330 /nfs/dbraw/zinc/09/73/30/557097330.db2.gz NOPPSBIQKRZCOS-XMMPIXPASA-N 0 0 442.563 4.851 50 0 IJAARN O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000033313043 557097908 /nfs/dbraw/zinc/09/79/08/557097908.db2.gz ZPPFERZIBIITPG-UHFFFAOYSA-N 0 0 426.564 4.839 50 0 IJAARN Cc1cccc(CSc2nc(CC(=O)NCc3ccccc3C(F)(F)F)cc(=O)[nH]2)c1 ZINC000033313183 557098224 /nfs/dbraw/zinc/09/82/24/557098224.db2.gz LASSWHATQWTQIO-UHFFFAOYSA-N 0 0 447.482 4.661 50 0 IJAARN O=C(CN1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccccc1C(F)(F)F ZINC000049403419 557098932 /nfs/dbraw/zinc/09/89/32/557098932.db2.gz PRDGYRAIRZSOSW-UHFFFAOYSA-N 0 0 448.420 4.713 50 0 IJAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4ccc(C)c(Cl)c4)n3)cc2c1 ZINC000033318242 557099752 /nfs/dbraw/zinc/09/97/52/557099752.db2.gz RWHNJWQLBVPHEG-UHFFFAOYSA-N 0 0 436.899 4.810 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(N2CCCC2)n1 ZINC000033318617 557100047 /nfs/dbraw/zinc/10/00/47/557100047.db2.gz JYRPMGNHPSPKNV-UHFFFAOYSA-N 0 0 446.511 4.544 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3ccc(Cl)cc3)c3cc(C)cc(C)c3)cccn12 ZINC000049405108 557100439 /nfs/dbraw/zinc/10/04/39/557100439.db2.gz UTLDYXAQQHELAH-UHFFFAOYSA-N 0 0 440.956 4.703 50 0 IJAARN CCCc1noc(-c2ccc(SCC(=O)Nc3ccc(Br)cc3)nc2)n1 ZINC000049405554 557100650 /nfs/dbraw/zinc/10/06/50/557100650.db2.gz KQTARPPWHGYBNE-UHFFFAOYSA-N 0 0 433.331 4.577 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1C ZINC000006088950 557101135 /nfs/dbraw/zinc/10/11/35/557101135.db2.gz JWDFWPXCEUJJPI-UHFFFAOYSA-N 0 0 435.954 4.590 50 0 IJAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023640335 557101841 /nfs/dbraw/zinc/10/18/41/557101841.db2.gz OIBVIILGIAZWGG-UHFFFAOYSA-N 0 0 448.979 4.970 50 0 IJAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN1CCCCCC1 ZINC000023693763 557107003 /nfs/dbraw/zinc/10/70/03/557107003.db2.gz BELOMZVOEHRHPJ-UHFFFAOYSA-N 0 0 439.556 4.551 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000033325439 557107503 /nfs/dbraw/zinc/10/75/03/557107503.db2.gz BJGKCFXGIFJNBE-QGZVFWFLSA-N 0 0 443.594 4.521 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(C)cc2Cl)=Nc2ccccc2N1 ZINC000049421626 557108441 /nfs/dbraw/zinc/10/84/41/557108441.db2.gz UOYUHMCUJTXNRQ-UHFFFAOYSA-N 0 0 429.929 4.923 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000049422141 557109205 /nfs/dbraw/zinc/10/92/05/557109205.db2.gz CJFBQQOZELGFOP-UHFFFAOYSA-N 0 0 432.430 4.714 50 0 IJAARN CSc1ccc([C@@H]2CC(=O)N(c3cc(F)c(F)c(F)c3)c3c2sc(=O)n3C)cc1 ZINC000049546877 557112181 /nfs/dbraw/zinc/11/21/81/557112181.db2.gz XSQACSRZVSNVRK-ZDUSSCGKSA-N 0 0 436.480 4.786 50 0 IJAARN COc1ccc(-c2noc([C@@H](NC(=O)COc3ccc(Cl)c(C)c3)C(C)C)n2)cc1 ZINC000585152250 557112423 /nfs/dbraw/zinc/11/24/23/557112423.db2.gz GZHLKSKTGNPZEG-FQEVSTJZSA-N 0 0 429.904 4.599 50 0 IJAARN CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000049563558 557113495 /nfs/dbraw/zinc/11/34/95/557113495.db2.gz NFMJRNWABMVDRU-GOSISDBHSA-N 0 0 431.569 4.707 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12)c1ccccc1 ZINC000033330651 557114088 /nfs/dbraw/zinc/11/40/88/557114088.db2.gz QKHIDJNFFSAPJI-OAHLLOKOSA-N 0 0 429.505 4.507 50 0 IJAARN O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000000896147 557116628 /nfs/dbraw/zinc/11/66/28/557116628.db2.gz DCKBYWBQURJCEG-DEOSSOPVSA-N 0 0 443.499 4.881 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(Br)c1 ZINC000001068733 557118758 /nfs/dbraw/zinc/11/87/58/557118758.db2.gz SHDQZIWFSZKYQI-UHFFFAOYSA-N 0 0 434.142 4.891 50 0 IJAARN CCOc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc3ccccc32)cc1OCC ZINC000023821173 557119239 /nfs/dbraw/zinc/11/92/39/557119239.db2.gz YLHCXHBRSRVNBT-GOSISDBHSA-N 0 0 449.551 4.535 50 0 IJAARN O=C(Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000023235785 557120191 /nfs/dbraw/zinc/12/01/91/557120191.db2.gz SSJFNTVWXVNBGL-UHFFFAOYSA-N 0 0 437.399 4.695 50 0 IJAARN Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]cc(C(=O)C(=O)N4CCCCCC4)c3c2)c(C)c1 ZINC000085823355 557120258 /nfs/dbraw/zinc/12/02/58/557120258.db2.gz ZHAQOXJXXIMKMI-IBGZPJMESA-N 0 0 445.563 4.861 50 0 IJAARN CCCCNc1nnc(SCc2nnc(-c3ccc(Br)cc3)o2)s1 ZINC000023882262 557123113 /nfs/dbraw/zinc/12/31/13/557123113.db2.gz LQNSHVHXKPELEG-UHFFFAOYSA-N 0 0 426.365 4.855 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCCn2nc(C)cc2C)cc1 ZINC000023246683 557123905 /nfs/dbraw/zinc/12/39/05/557123905.db2.gz FJDFBSDZPJDLHD-UHFFFAOYSA-N 0 0 430.552 4.796 50 0 IJAARN COc1ccc(-c2c(Cl)nc(N3CCCCC3)c(=O)n2-c2ccccc2)cc1OC ZINC000000642861 557124212 /nfs/dbraw/zinc/12/42/12/557124212.db2.gz FIMJGQZFTJZCFK-UHFFFAOYSA-N 0 0 425.916 4.560 50 0 IJAARN COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)c1 ZINC000004792638 557125824 /nfs/dbraw/zinc/12/58/24/557125824.db2.gz ZWEHXIRVTVTQRP-LOSJGSFVSA-N 0 0 439.515 4.736 50 0 IJAARN Cn1cc([C@@H]2[C@H](C(=O)NC3CCCCCC3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000004792850 557126142 /nfs/dbraw/zinc/12/61/42/557126142.db2.gz LHBFHLZVMSRRPM-JWQCQUIFSA-N 0 0 429.564 4.928 50 0 IJAARN Cc1sc2[nH]c(CN(C)C[C@@H]3COc4ccccc4O3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023955885 557127527 /nfs/dbraw/zinc/12/75/27/557127527.db2.gz LXTQZGWCNFJXDI-GOSISDBHSA-N 0 0 447.560 4.540 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nc(-c3ccsc3)no1)CC2 ZINC000023983314 557129672 /nfs/dbraw/zinc/12/96/72/557129672.db2.gz LCAUNPGHITVAQA-HSZRJFAPSA-N 0 0 433.533 4.963 50 0 IJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl ZINC000000653506 557129946 /nfs/dbraw/zinc/12/99/46/557129946.db2.gz UIDFXQNXQLETSW-UHFFFAOYSA-N 0 0 425.842 4.515 50 0 IJAARN O=C(c1cccs1)N1CCc2nc(N3CCCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037579392 557130141 /nfs/dbraw/zinc/13/01/41/557130141.db2.gz GWBSQYRWLWELBI-UHFFFAOYSA-N 0 0 438.528 4.658 50 0 IJAARN Cc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCSc4ccccc43)c2c1C ZINC000023994728 557130881 /nfs/dbraw/zinc/13/08/81/557130881.db2.gz IMCIMIARJKVYOY-KRWDZBQOSA-N 0 0 426.611 4.789 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c1 ZINC000000674645 557133227 /nfs/dbraw/zinc/13/32/27/557133227.db2.gz NGFZCYZIFJLMFQ-JGFGOQIWSA-N 0 0 436.459 4.911 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000002982245 557134520 /nfs/dbraw/zinc/13/45/20/557134520.db2.gz HCQLSPQCOVGADU-SFQUDFHCSA-N 0 0 437.835 4.895 50 0 IJAARN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000002902393 557135262 /nfs/dbraw/zinc/13/52/62/557135262.db2.gz PFUVIYMDPVOIAM-NDENLUEZSA-N 0 0 431.419 4.706 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c(C)c1 ZINC000000687419 557135644 /nfs/dbraw/zinc/13/56/44/557135644.db2.gz GVTDZDGMLQVFDS-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN COc1ccc(O[C@@H](C(=O)O[C@@H]2C(=O)N(c3ccccc3)CC2(C)C)c2ccccc2)cc1 ZINC000000688154 557135931 /nfs/dbraw/zinc/13/59/31/557135931.db2.gz ZLLKQFMSZOXQPQ-DNQXCXABSA-N 0 0 445.515 4.800 50 0 IJAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)cc1 ZINC000017983657 557136250 /nfs/dbraw/zinc/13/62/50/557136250.db2.gz VATQCKGPDPOTRD-UHFFFAOYSA-N 0 0 430.555 4.703 50 0 IJAARN C[C@H](SC1CCCC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000011445059 557148598 /nfs/dbraw/zinc/14/85/98/557148598.db2.gz MKVVPGSXCBKSMD-AWEZNQCLSA-N 0 0 431.023 4.517 50 0 IJAARN COc1cc(C(=O)N2CCC(CCc3ccccc3)CC2)cc(OC)c1Br ZINC000011453734 557150457 /nfs/dbraw/zinc/15/04/57/557150457.db2.gz XCSFOZVSWZXZCW-UHFFFAOYSA-N 0 0 432.358 4.951 50 0 IJAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000011490366 557153097 /nfs/dbraw/zinc/15/30/97/557153097.db2.gz MVOZYMKYTRGWSP-IBGZPJMESA-N 0 0 437.609 4.645 50 0 IJAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608583 557154014 /nfs/dbraw/zinc/15/40/14/557154014.db2.gz UPXDCJPSTZFILA-UHFFFAOYSA-N 0 0 449.016 4.645 50 0 IJAARN CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000023297313 557155313 /nfs/dbraw/zinc/15/53/13/557155313.db2.gz TYYOEICOVVCWIJ-UHFFFAOYSA-N 0 0 427.566 4.516 50 0 IJAARN CCn1c2ccccc2n(CCC(=O)N(Cc2cccs2)Cc2ccccc2OC)c1=O ZINC000024706822 557159390 /nfs/dbraw/zinc/15/93/90/557159390.db2.gz WSDDZLHTMUUUOQ-UHFFFAOYSA-N 0 0 449.576 4.512 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)c1 ZINC000018008763 557162493 /nfs/dbraw/zinc/16/24/93/557162493.db2.gz YJQWHCMBHPVHKJ-UHFFFAOYSA-N 0 0 438.911 4.638 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000000735900 557165710 /nfs/dbraw/zinc/16/57/10/557165710.db2.gz PGXIGYAEIACENQ-UHFFFAOYSA-N 0 0 436.556 4.812 50 0 IJAARN CCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1C ZINC000024828599 557165793 /nfs/dbraw/zinc/16/57/93/557165793.db2.gz GTXAHINVNFKRQG-UHFFFAOYSA-N 0 0 434.393 4.939 50 0 IJAARN CC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000000739322 557166092 /nfs/dbraw/zinc/16/60/92/557166092.db2.gz MRENRBMAJBRABV-UHFFFAOYSA-N 0 0 442.494 4.666 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000024775552 557166624 /nfs/dbraw/zinc/16/66/24/557166624.db2.gz RDWZHSSNUYFASO-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N(Cc1ccccc1)Cc1ccccc1 ZINC000024777112 557167050 /nfs/dbraw/zinc/16/70/50/557167050.db2.gz CUDFISGZRKQPPZ-UHFFFAOYSA-N 0 0 425.532 4.632 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000024816526 557168745 /nfs/dbraw/zinc/16/87/45/557168745.db2.gz YLPXRXQRWVHPEB-UHFFFAOYSA-N 0 0 425.941 4.620 50 0 IJAARN COc1ccc(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3)c2=O)c(OC)c1 ZINC000000756685 557170426 /nfs/dbraw/zinc/17/04/26/557170426.db2.gz SPPAGHBMVSUPEZ-UHFFFAOYSA-N 0 0 443.575 4.706 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)c1ccccc1C ZINC000000778402 557173996 /nfs/dbraw/zinc/17/39/96/557173996.db2.gz XLVICBVMMPUUKA-UHFFFAOYSA-N 0 0 438.505 4.665 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000024860786 557174550 /nfs/dbraw/zinc/17/45/50/557174550.db2.gz SLLMOECCGFRWHL-UHFFFAOYSA-N 0 0 445.350 4.566 50 0 IJAARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(C)n1C1CC1 ZINC000024969289 557183421 /nfs/dbraw/zinc/18/34/21/557183421.db2.gz HEBXKTLEWJASPZ-UHFFFAOYSA-N 0 0 427.501 4.632 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OCC ZINC000097987525 557183848 /nfs/dbraw/zinc/18/38/48/557183848.db2.gz OKFKZDCCTGAIEM-CXUHLZMHSA-N 0 0 434.261 4.730 50 0 IJAARN COc1cccc(NC(=O)[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000024984883 557186142 /nfs/dbraw/zinc/18/61/42/557186142.db2.gz NAVMWSPOZJOVBZ-UQBPGWFLSA-N 0 0 426.520 4.912 50 0 IJAARN CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1[C@@H](C)Oc1ccccc1 ZINC000009329014 557187273 /nfs/dbraw/zinc/18/72/73/557187273.db2.gz QEXWUJJEVANQTF-HIFRSBDPSA-N 0 0 431.587 4.631 50 0 IJAARN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2/C1=C\c1ccc(Cl)cc1 ZINC000097998532 557188257 /nfs/dbraw/zinc/18/82/57/557188257.db2.gz XKSBADOCSGVCLC-YBFXNURJSA-N 0 0 428.872 4.773 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000009426840 557188844 /nfs/dbraw/zinc/18/88/44/557188844.db2.gz CLSROLMLKXLJJY-UHFFFAOYSA-N 0 0 443.532 4.624 50 0 IJAARN CC(=O)Nc1ccc2nc(NC(=O)COC(c3ccccc3)c3ccccc3)sc2c1 ZINC000025039649 557189933 /nfs/dbraw/zinc/18/99/33/557189933.db2.gz SQXRYKHOSJIPKX-UHFFFAOYSA-N 0 0 431.517 4.999 50 0 IJAARN Cc1ccc(C(=O)CSc2nnc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000009582802 557190691 /nfs/dbraw/zinc/19/06/91/557190691.db2.gz NCOPTFLLFGDBAB-UHFFFAOYSA-N 0 0 442.972 4.632 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N(CCCN1CCOCC1)Cc1cccs1 ZINC000025056359 557192146 /nfs/dbraw/zinc/19/21/46/557192146.db2.gz ZURDFDLDSIYFNJ-UHFFFAOYSA-N 0 0 434.605 4.709 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ncccc2OC(=O)c2ccc(C)cc2C)c(C)c1 ZINC000009892047 557193088 /nfs/dbraw/zinc/19/30/88/557193088.db2.gz DGHJXJHYRWEMDT-UHFFFAOYSA-N 0 0 433.533 4.661 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nnc4ccccn43)c3c(C)noc3n2)s1 ZINC000025065227 557193942 /nfs/dbraw/zinc/19/39/42/557193942.db2.gz NWGOWDNJBZCGOY-KRWDZBQOSA-N 0 0 444.520 4.588 50 0 IJAARN CCOCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000100873301 557196139 /nfs/dbraw/zinc/19/61/39/557196139.db2.gz YZMXIXSKJDXXNO-BZZOAKBMSA-N 0 0 440.565 4.565 50 0 IJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000025148613 557196877 /nfs/dbraw/zinc/19/68/77/557196877.db2.gz JCHJEXFUABATDN-UHFFFAOYSA-N 0 0 444.413 4.501 50 0 IJAARN C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc21 ZINC000100888076 557198309 /nfs/dbraw/zinc/19/83/09/557198309.db2.gz WVRZNELFEUZZJW-HNNXBMFYSA-N 0 0 444.516 4.617 50 0 IJAARN O=C1[C@@H]2[C@H](c3ccc(F)cc3)N(c3ccc(Cl)cc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000096316603 557198486 /nfs/dbraw/zinc/19/84/86/557198486.db2.gz FLZQMQNJFHDFPB-FSSWDIPSSA-N 0 0 436.870 4.526 50 0 IJAARN CC[C@H](C)c1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000096317069 557198829 /nfs/dbraw/zinc/19/88/29/557198829.db2.gz KOOCXPIAMPDTSU-KRWDZBQOSA-N 0 0 436.531 4.584 50 0 IJAARN O=C(Oc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000000793041 557200045 /nfs/dbraw/zinc/20/00/45/557200045.db2.gz XGXKUBGOEMCMOF-UHFFFAOYSA-N 0 0 428.337 4.777 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC ZINC000000794049 557200618 /nfs/dbraw/zinc/20/06/18/557200618.db2.gz XHCOGXJZUKGNBX-VWLOTQADSA-N 0 0 433.504 4.509 50 0 IJAARN COc1cc2c(cc1OC)CN(Cn1nc(Nc3ccccc3F)sc1=S)CC2 ZINC000025266443 557202197 /nfs/dbraw/zinc/20/21/97/557202197.db2.gz DLQQUUKUUOZGSF-UHFFFAOYSA-N 0 0 432.546 4.590 50 0 IJAARN C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1ccccc1)N1CCOCC1 ZINC000025356400 557205569 /nfs/dbraw/zinc/20/55/69/557205569.db2.gz KTUOLHGIWLZTFO-JLTOFOAXSA-N 0 0 432.948 4.886 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCN(c5ccc(Cl)cn5)CC4)n3)CCCC2)cc1 ZINC000096834909 557205643 /nfs/dbraw/zinc/20/56/43/557205643.db2.gz NAEAFOPEBMXZGP-UHFFFAOYSA-N 0 0 437.975 4.609 50 0 IJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2Br)cc1 ZINC000025371987 557206268 /nfs/dbraw/zinc/20/62/68/557206268.db2.gz JDMDOHHTKSMAHW-UHFFFAOYSA-N 0 0 432.339 4.853 50 0 IJAARN CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000025579584 557215933 /nfs/dbraw/zinc/21/59/33/557215933.db2.gz NILJCKULXNOTME-CQSZACIVSA-N 0 0 428.788 4.895 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 ZINC000010536629 557222186 /nfs/dbraw/zinc/22/21/86/557222186.db2.gz GNWMHADVJIBBCQ-UHFFFAOYSA-N 0 0 445.544 4.742 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032949436 557225147 /nfs/dbraw/zinc/22/51/47/557225147.db2.gz GUXGXVLJSKUCPR-KRWDZBQOSA-N 0 0 446.878 4.541 50 0 IJAARN Cc1ccc(CN(C)C(=O)CCc2c(C)nc(SCc3ccccc3)[nH]c2=O)c(C)c1 ZINC000025774692 557225405 /nfs/dbraw/zinc/22/54/05/557225405.db2.gz QWXQEDOQBOWNCJ-UHFFFAOYSA-N 0 0 435.593 4.579 50 0 IJAARN COc1ccc2c(c1)C1=C([C@H](c3ccc(C)cc3)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000025783853 557226461 /nfs/dbraw/zinc/22/64/61/557226461.db2.gz ZYXIFFHDPZZVEO-DQEYMECFSA-N 0 0 440.478 4.947 50 0 IJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000025884677 557229137 /nfs/dbraw/zinc/22/91/37/557229137.db2.gz OHRHZCWLEBFRPU-UHFFFAOYSA-N 0 0 425.286 4.562 50 0 IJAARN O=C(Nc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1)[C@@H]1CCCO1 ZINC000025904532 557229930 /nfs/dbraw/zinc/22/99/30/557229930.db2.gz JPEJSBOJYBCZQL-JTHBVZDNSA-N 0 0 432.545 4.654 50 0 IJAARN CCOc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000000807855 557231537 /nfs/dbraw/zinc/23/15/37/557231537.db2.gz KOXAAZWODOBNIC-UHFFFAOYSA-N 0 0 437.496 4.610 50 0 IJAARN CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](C)C2 ZINC000023320803 557231536 /nfs/dbraw/zinc/23/15/36/557231536.db2.gz KMTPAJMOMPVCFR-SSDOTTSWSA-N 0 0 433.398 4.997 50 0 IJAARN Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000032949880 557231965 /nfs/dbraw/zinc/23/19/65/557231965.db2.gz HZNMIHLXPUIYQQ-UHFFFAOYSA-N 0 0 428.334 4.680 50 0 IJAARN O=S(=O)(NCc1ccc(Cl)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098071672 557233079 /nfs/dbraw/zinc/23/30/79/557233079.db2.gz KZPNHWZSTVMQDX-UHFFFAOYSA-N 0 0 428.657 4.600 50 0 IJAARN COc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3o2)cc1OC ZINC000098086947 557233652 /nfs/dbraw/zinc/23/36/52/557233652.db2.gz NFMZKOULGVXKFP-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN CCOC(=O)N[C@H](c1ccc(OC)cc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000100081753 557233964 /nfs/dbraw/zinc/23/39/64/557233964.db2.gz WETKGAXXUYZMEI-HSZRJFAPSA-N 0 0 431.488 4.864 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000026089772 557233971 /nfs/dbraw/zinc/23/39/71/557233971.db2.gz JVCIZZHFQZDGKN-KRWDZBQOSA-N 0 0 449.601 4.677 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000026098118 557234219 /nfs/dbraw/zinc/23/42/19/557234219.db2.gz FBZMDOGOEUDDGR-UHFFFAOYSA-N 0 0 438.571 4.720 50 0 IJAARN COc1ccc(OC)c(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)c1 ZINC000032950860 557237930 /nfs/dbraw/zinc/23/79/30/557237930.db2.gz BDCGSODJEPTHSQ-UHFFFAOYSA-N 0 0 430.508 4.851 50 0 IJAARN O=C(Nc1cccc(OCc2ccccn2)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000026246441 557238122 /nfs/dbraw/zinc/23/81/22/557238122.db2.gz NGDITOBVDLZJES-IBGZPJMESA-N 0 0 449.938 4.805 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)NCCC1=CCCCC1 ZINC000032950768 557238574 /nfs/dbraw/zinc/23/85/74/557238574.db2.gz JGNMUUTXJMOQOG-UHFFFAOYSA-N 0 0 439.918 4.863 50 0 IJAARN O=C(NCc1ccc(F)cc1)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000026309395 557239012 /nfs/dbraw/zinc/23/90/12/557239012.db2.gz RNCQSBNTBXKHEG-UHFFFAOYSA-N 0 0 431.511 4.615 50 0 IJAARN COc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000100076130 557239873 /nfs/dbraw/zinc/23/98/73/557239873.db2.gz WIERCMHDCXKINJ-GASCZTMLSA-N 0 0 447.318 4.934 50 0 IJAARN CN1c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649106 557239981 /nfs/dbraw/zinc/23/99/81/557239981.db2.gz WXQRXFYQDVZBKI-VWLOTQADSA-N 0 0 441.531 4.920 50 0 IJAARN CCN(C(=O)CN1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000026603923 557245531 /nfs/dbraw/zinc/24/55/31/557245531.db2.gz MJAWUMMPZTUHKG-LJQANCHMSA-N 0 0 438.330 4.589 50 0 IJAARN O=C(CNc1cccc(I)c1)Nc1ccccc1SC(F)F ZINC000026782281 557248488 /nfs/dbraw/zinc/24/84/88/557248488.db2.gz MMCPOIXOHBDMSH-UHFFFAOYSA-N 0 0 434.249 4.657 50 0 IJAARN C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000026892301 557250091 /nfs/dbraw/zinc/25/00/91/557250091.db2.gz ONEVHQLPFXYNHN-HNNXBMFYSA-N 0 0 439.972 4.879 50 0 IJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2cc(C(=O)OC)ccc2C)c1N ZINC000032952507 557250493 /nfs/dbraw/zinc/25/04/93/557250493.db2.gz DUNDSDJGJBQKTB-UHFFFAOYSA-N 0 0 443.550 4.597 50 0 IJAARN CCO[P@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000026962928 557252413 /nfs/dbraw/zinc/25/24/13/557252413.db2.gz MWFYWIUBMVSTSX-AKJBCIBTSA-N 0 0 438.650 4.892 50 0 IJAARN COc1cc2c(cc1NC(=O)CCN1c3ccccc3O[C@H](C)C1=O)oc1ccccc12 ZINC000018230695 557253415 /nfs/dbraw/zinc/25/34/15/557253415.db2.gz BTBMMDKJQJIDKY-OAHLLOKOSA-N 0 0 430.460 4.737 50 0 IJAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390829391 557253445 /nfs/dbraw/zinc/25/34/45/557253445.db2.gz DXOCDTQXWPTBLE-UHFFFAOYSA-N 0 0 449.452 4.527 50 0 IJAARN O=C(COC(=O)c1ccc2ncsc2c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000018251231 557254049 /nfs/dbraw/zinc/25/40/49/557254049.db2.gz QBRDGUJGQJIELT-HXUWFJFHSA-N 0 0 426.494 4.560 50 0 IJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1C ZINC000027019984 557254879 /nfs/dbraw/zinc/25/48/79/557254879.db2.gz PJNRVXDVWDACFK-DQRYEYLNSA-N 0 0 439.515 4.699 50 0 IJAARN C[C@H](OC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000011016735 557256531 /nfs/dbraw/zinc/25/65/31/557256531.db2.gz PEVVZUMTRSKQQC-VUGGMRKISA-N 0 0 438.568 4.648 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000027360487 557261093 /nfs/dbraw/zinc/26/10/93/557261093.db2.gz AZMSWUIGVDMMJY-HXUWFJFHSA-N 0 0 446.532 4.568 50 0 IJAARN COc1cc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc(OC)c1OC ZINC000101192138 557262956 /nfs/dbraw/zinc/26/29/56/557262956.db2.gz YRBJKVRASPRGPJ-UHFFFAOYSA-N 0 0 449.434 4.877 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccc(OC)c(OC)c2)cc1 ZINC000027515658 557263214 /nfs/dbraw/zinc/26/32/14/557263214.db2.gz XWNCIJKXOXNLMW-UHFFFAOYSA-N 0 0 444.491 4.603 50 0 IJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000027663419 557269456 /nfs/dbraw/zinc/26/94/56/557269456.db2.gz PHHVWINOQJNKNU-KRWDZBQOSA-N 0 0 442.512 4.695 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000824354 557269952 /nfs/dbraw/zinc/26/99/52/557269952.db2.gz ZGTQBTWYLUEFPF-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=c1[nH]nc(SC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000070014780 557271268 /nfs/dbraw/zinc/27/12/68/557271268.db2.gz IRBIFHCQKPZXBK-KRWDZBQOSA-N 0 0 436.364 4.939 50 0 IJAARN O=C(Cn1c2ccccc2nc1[C@@H](Sc1ccccc1)c1ccccc1)N1CCOCC1 ZINC000027697779 557271708 /nfs/dbraw/zinc/27/17/08/557271708.db2.gz GLNQEWICQRPBMD-VWLOTQADSA-N 0 0 443.572 4.777 50 0 IJAARN O=C(Nc1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1)c1ccc2c(c1)OCO2 ZINC000027724914 557271918 /nfs/dbraw/zinc/27/19/18/557271918.db2.gz KDVZYSHVFURPSQ-UHFFFAOYSA-N 0 0 429.407 4.607 50 0 IJAARN COc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000027740054 557271957 /nfs/dbraw/zinc/27/19/57/557271957.db2.gz KHSYUNXLLWVYLG-UHFFFAOYSA-N 0 0 427.526 4.537 50 0 IJAARN O=C(Cc1cccc2ccccc21)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 ZINC000027794117 557274364 /nfs/dbraw/zinc/27/43/64/557274364.db2.gz ABLABVNCSPDOQX-UHFFFAOYSA-N 0 0 441.556 4.896 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc(Br)cc4)c3)C(=O)[C@@H]2C1 ZINC000100744340 557275360 /nfs/dbraw/zinc/27/53/60/557275360.db2.gz AHBMUDLOQLFHKT-FASAQXTFSA-N 0 0 442.309 4.594 50 0 IJAARN CC1=C(CC(=O)NCc2ccncc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101464454 557285204 /nfs/dbraw/zinc/28/52/04/557285204.db2.gz RQIVFTZTBZLCMJ-ABWPRXLSSA-N 0 0 446.547 4.992 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000101612973 557291688 /nfs/dbraw/zinc/29/16/88/557291688.db2.gz YOOJYUQTRWLOTH-IBGZPJMESA-N 0 0 440.883 4.531 50 0 IJAARN COc1cccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)c1 ZINC000101641626 557292218 /nfs/dbraw/zinc/29/22/18/557292218.db2.gz ZMJALVYSSAOZLO-MRXNPFEDSA-N 0 0 449.255 4.707 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)CCC1CCCCC1)C[C@H](C)CC2 ZINC000013148978 557300511 /nfs/dbraw/zinc/30/05/11/557300511.db2.gz YNZIVQXUGKPZCD-OAHLLOKOSA-N 0 0 435.586 4.892 50 0 IJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1cccnc1 ZINC000101836297 557302737 /nfs/dbraw/zinc/30/27/37/557302737.db2.gz CRZYJSSBLDFHQJ-HXUWFJFHSA-N 0 0 446.873 4.774 50 0 IJAARN CCCCc1c(C)nc2[nH]c(N(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)nn2c1=O ZINC000101861307 557304128 /nfs/dbraw/zinc/30/41/28/557304128.db2.gz UJDMWAAMJWMXNQ-UHFFFAOYSA-N 0 0 449.942 4.569 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)cc1C ZINC000101880528 557304576 /nfs/dbraw/zinc/30/45/76/557304576.db2.gz YKDOLUDYRDZCHF-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN Oc1c2c(C=Cc3ccccc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1 ZINC000102652310 557304865 /nfs/dbraw/zinc/30/48/65/557304865.db2.gz JZODCCJOWSBIEW-VHBXTXGGSA-N 0 0 427.891 4.788 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000101880801 557304912 /nfs/dbraw/zinc/30/49/12/557304912.db2.gz PNLAOKOGMMGPHX-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN Cc1cccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c1C ZINC000101880825 557304917 /nfs/dbraw/zinc/30/49/17/557304917.db2.gz MCUDLXACZDWZGU-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NC[C@H]3COC(C)(C)O3)cc2)cc1 ZINC000023326254 557311238 /nfs/dbraw/zinc/31/12/38/557311238.db2.gz OFPPLSKYIGLMOI-QHCPKHFHSA-N 0 0 433.552 4.763 50 0 IJAARN COc1ccc(CN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H](C)C2CC2)cc1 ZINC000032753982 557315018 /nfs/dbraw/zinc/31/50/18/557315018.db2.gz GRGCPCDLKCZMDQ-YJJOXIQCSA-N 0 0 425.525 4.562 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[C@H]1C ZINC000102254812 557316517 /nfs/dbraw/zinc/31/65/17/557316517.db2.gz WMJBORNDKVKQOC-KEYYUXOJSA-N 0 0 448.972 4.752 50 0 IJAARN Cc1ccc(C2=NN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)[C@H](c3ccco3)C2)cc1 ZINC000014199212 557316628 /nfs/dbraw/zinc/31/66/28/557316628.db2.gz KRPONMDDAHIVQW-QFIPXVFZSA-N 0 0 442.471 4.760 50 0 IJAARN O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032901025 557317011 /nfs/dbraw/zinc/31/70/11/557317011.db2.gz GGZULWWAXZNRCN-GBXCKJPGSA-N 0 0 428.488 4.784 50 0 IJAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000032904361 557317073 /nfs/dbraw/zinc/31/70/73/557317073.db2.gz GWUNWDYNDDJMCR-QFIPXVFZSA-N 0 0 442.588 4.958 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)[C@H]1C ZINC000102399887 557321006 /nfs/dbraw/zinc/32/10/06/557321006.db2.gz WTLMTPUQLRATSR-GQIGUUNPSA-N 0 0 439.556 4.558 50 0 IJAARN COc1nc2ccccc2nc1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000033088258 557322511 /nfs/dbraw/zinc/32/25/11/557322511.db2.gz UUSPNTCLHWIPGK-UHFFFAOYSA-N 0 0 430.430 4.512 50 0 IJAARN C[C@@H](NC(=O)C1CCN(c2ncnc3onc(-c4cccc(F)c4)c32)CC1)c1ccccc1 ZINC000033085020 557324366 /nfs/dbraw/zinc/32/43/66/557324366.db2.gz JBHRAJSTUPIWRE-MRXNPFEDSA-N 0 0 445.498 4.518 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(C(=O)COc4ccc(Cl)cc4C)CC3)no2)c1 ZINC000033139583 557325698 /nfs/dbraw/zinc/32/56/98/557325698.db2.gz BQZZMDRZDWUJAI-UHFFFAOYSA-N 0 0 425.916 4.792 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4cccc(F)c4)s3)CC2)c1 ZINC000033114081 557325981 /nfs/dbraw/zinc/32/59/81/557325981.db2.gz RRMGSVJPGIBLMX-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000033170607 557326603 /nfs/dbraw/zinc/32/66/03/557326603.db2.gz OWRMZAHDDNKEOD-XFXZXTDPSA-N 0 0 425.510 4.529 50 0 IJAARN COCCCn1c(=O)c2c(nc1SCc1cccc(F)c1)c(-c1ccccc1)cn2C ZINC000033267942 557328206 /nfs/dbraw/zinc/32/82/06/557328206.db2.gz NIBZPRMDLCZRKX-UHFFFAOYSA-N 0 0 437.540 4.870 50 0 IJAARN O=C(c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)c1)N1CCCCC1 ZINC000033311124 557332688 /nfs/dbraw/zinc/33/26/88/557332688.db2.gz UUXGRSYMMZMIPQ-SFHVURJKSA-N 0 0 442.506 4.522 50 0 IJAARN COc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)c(C)c3)CC2=O)c1 ZINC000102530015 557341231 /nfs/dbraw/zinc/34/12/31/557341231.db2.gz UGNBYPZZRVNNNM-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000102532363 557343437 /nfs/dbraw/zinc/34/34/37/557343437.db2.gz UQGVRUUVPVDYBT-HFZDXXHNSA-N 0 0 448.588 4.952 50 0 IJAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000033683944 557347299 /nfs/dbraw/zinc/34/72/99/557347299.db2.gz BPERLEJQOVBZRV-NRFANRHFSA-N 0 0 449.601 4.828 50 0 IJAARN CCCCN(CC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Br)c2C)cc1 ZINC000023335622 557348320 /nfs/dbraw/zinc/34/83/20/557348320.db2.gz NWAPZIUIQRGVFH-UHFFFAOYSA-N 0 0 446.349 4.564 50 0 IJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000023335962 557348555 /nfs/dbraw/zinc/34/85/55/557348555.db2.gz LJFVRYXRSGIDBN-UHFFFAOYSA-N 0 0 442.434 4.774 50 0 IJAARN COc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000013576576 557348727 /nfs/dbraw/zinc/34/87/27/557348727.db2.gz KPGBPDYDOHYEOO-NRFANRHFSA-N 0 0 447.516 4.763 50 0 IJAARN COC(=O)c1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023335408 557350234 /nfs/dbraw/zinc/35/02/34/557350234.db2.gz TWHZLKWTOUQWAR-XMMPIXPASA-N 0 0 448.950 4.674 50 0 IJAARN COC(=O)c1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 ZINC000023442441 557358289 /nfs/dbraw/zinc/35/82/89/557358289.db2.gz VFGDICZTBOQTPC-XMMPIXPASA-N 0 0 446.503 4.670 50 0 IJAARN O=c1[nH]c2c(s1)[C@H]1c3cc(Br)ccc3OC(=O)[C@@H]1[C@H](c1ccccc1)S2 ZINC000102698278 557364961 /nfs/dbraw/zinc/36/49/61/557364961.db2.gz WZXSHYSANSVRRC-KKUMJFAQSA-N 0 0 446.347 4.713 50 0 IJAARN COc1cccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1 ZINC000011689938 557368112 /nfs/dbraw/zinc/36/81/12/557368112.db2.gz ANTMGEZAHRMPAQ-UHFFFAOYSA-N 0 0 425.448 4.645 50 0 IJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(C(C)=O)cc4)CC3=O)n2)cc1OC ZINC000102722617 557369217 /nfs/dbraw/zinc/36/92/17/557369217.db2.gz XIULMSZWIHECOF-UHFFFAOYSA-N 0 0 435.505 4.796 50 0 IJAARN O=C(c1cc(Br)cs1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220926925 557371192 /nfs/dbraw/zinc/37/11/92/557371192.db2.gz WUOSNSFBSLCMRA-NSHDSACASA-N 0 0 438.372 4.717 50 0 IJAARN CCc1ccc(C2=Nc3nnnn3[C@@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000102763664 557380937 /nfs/dbraw/zinc/38/09/37/557380937.db2.gz MHQKUHYPNSDMQE-MRXNPFEDSA-N 0 0 448.271 4.655 50 0 IJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@@H]1c1cccs1 ZINC000023936645 557387738 /nfs/dbraw/zinc/38/77/38/557387738.db2.gz DLOZVYURQJFVFG-JOCHJYFZSA-N 0 0 445.588 4.619 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000023968588 557389720 /nfs/dbraw/zinc/38/97/20/557389720.db2.gz IUKIWEZWIACVNX-MHZLTWQESA-N 0 0 439.559 4.714 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)c(OC)c1 ZINC000102800010 557390039 /nfs/dbraw/zinc/39/00/39/557390039.db2.gz WVEKZZLCEGSDOD-INIZCTEOSA-N 0 0 434.830 4.606 50 0 IJAARN COc1cc(NC2=NC(=O)S/C2=C\c2c(C)nc3scc(C)n23)cc(OC)c1OC ZINC000072401127 557394429 /nfs/dbraw/zinc/39/44/29/557394429.db2.gz ISHDBZCLKYODDT-PXNMLYILSA-N 0 0 444.538 4.757 50 0 IJAARN Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000072406197 557398905 /nfs/dbraw/zinc/39/89/05/557398905.db2.gz GXZYSLHDSANVNQ-UHFFFAOYSA-N 0 0 430.335 4.518 50 0 IJAARN COc1ccc([C@H]2CC(=O)n3nc(C45CC6CC(CC(C6)C4)C5)nc3S2)cc1OC ZINC000004936995 557411430 /nfs/dbraw/zinc/41/14/30/557411430.db2.gz DFIHDWJBOHEMPH-HXNAPQRPSA-N 0 0 425.554 4.640 50 0 IJAARN COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cn1 ZINC000014801155 557457078 /nfs/dbraw/zinc/45/70/78/557457078.db2.gz USEOLLZOOYKAAA-UHFFFAOYSA-N 0 0 432.911 4.585 50 0 IJAARN CCc1ccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000105049081 557473462 /nfs/dbraw/zinc/47/34/62/557473462.db2.gz ZDELSINMUSOPBW-WVQWTBLQSA-N 0 0 430.548 4.965 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 ZINC000110570604 557514556 /nfs/dbraw/zinc/51/45/56/557514556.db2.gz RSHKBCKBQYZQDO-YZZKKUAISA-N 0 0 436.577 4.826 50 0 IJAARN COc1cc(OC)c(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC000106276233 557527542 /nfs/dbraw/zinc/52/75/42/557527542.db2.gz QKYWWPZJJJPBQM-ZCYQVOJMSA-N 0 0 447.487 4.548 50 0 IJAARN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(NS(C)(=O)=O)c4)=NN32)cc1 ZINC000012080445 557527696 /nfs/dbraw/zinc/52/76/96/557527696.db2.gz XKTRNUUAOVLLAT-VWNXMTODSA-N 0 0 433.533 4.609 50 0 IJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000106403063 557528745 /nfs/dbraw/zinc/52/87/45/557528745.db2.gz BLBIZLNLLRQJJB-MNFWLRKXSA-N 0 0 429.630 4.904 50 0 IJAARN Cc1ccc2nc(-c3ccco3)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c2c1 ZINC000107034618 557534257 /nfs/dbraw/zinc/53/42/57/557534257.db2.gz JCWHNVQMUNWBRC-UHFFFAOYSA-N 0 0 432.911 4.814 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000044803847 557537463 /nfs/dbraw/zinc/53/74/63/557537463.db2.gz OALCWRKYVSAWEU-SFHVURJKSA-N 0 0 438.959 4.605 50 0 IJAARN Cc1cc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)n(-c2ccccc2)n1 ZINC000045335633 557543318 /nfs/dbraw/zinc/54/33/18/557543318.db2.gz PYTLIQSUAUGONN-UHFFFAOYSA-N 0 0 429.451 4.568 50 0 IJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)n2)o1 ZINC000045550459 557544255 /nfs/dbraw/zinc/54/42/55/557544255.db2.gz DAFMAOYNACTEDK-RUDMXATFSA-N 0 0 435.427 4.710 50 0 IJAARN O=c1c2sccc2n2c(SCc3cccc(F)c3)nnc2n1Cc1cccs1 ZINC000045924508 557549527 /nfs/dbraw/zinc/54/95/27/557549527.db2.gz AHSDOLKAJWABIG-UHFFFAOYSA-N 0 0 428.539 4.647 50 0 IJAARN COc1cccc(-c2nc(CSc3nc(-c4cccnc4)cc(=O)[nH]3)c(C)o2)c1OC ZINC000045924712 557549815 /nfs/dbraw/zinc/54/98/15/557549815.db2.gz KMPPUBQDTXWSRY-UHFFFAOYSA-N 0 0 436.493 4.517 50 0 IJAARN CCc1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(C(C)C)cc4)nn32)cc1 ZINC000045925625 557550141 /nfs/dbraw/zinc/55/01/41/557550141.db2.gz JPUPBVUTIWFHOK-UHFFFAOYSA-N 0 0 447.564 4.501 50 0 IJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942049 557551732 /nfs/dbraw/zinc/55/17/32/557551732.db2.gz JNVQQXIUPUQIIT-DEOSSOPVSA-N 0 0 427.500 4.877 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(OC)cc3OC)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045942134 557551758 /nfs/dbraw/zinc/55/17/58/557551758.db2.gz COCBGGSADNMWHJ-XMMPIXPASA-N 0 0 449.478 4.904 50 0 IJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(F)cc2)cc1 ZINC000045942349 557551926 /nfs/dbraw/zinc/55/19/26/557551926.db2.gz DCSJVNQEADBJRK-QHCPKHFHSA-N 0 0 433.435 4.616 50 0 IJAARN CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2F)cc1 ZINC000225506544 557731699 /nfs/dbraw/zinc/73/16/99/557731699.db2.gz RJRXTYCYLYQKCH-UHFFFAOYSA-N 0 0 427.701 4.561 50 0 IJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@H]2c2cnc3ccccc3n2)cc1 ZINC000225505994 557731709 /nfs/dbraw/zinc/73/17/09/557731709.db2.gz KPBMTKIBGIQWJO-NRFANRHFSA-N 0 0 434.546 4.540 50 0 IJAARN O=C(c1ccco1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccco1 ZINC000096277528 557773446 /nfs/dbraw/zinc/77/34/46/557773446.db2.gz BNVLNTWWQFPUSE-UHFFFAOYSA-N 0 0 431.370 4.827 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)c2cc(C)sc2C)n1Cc1ccccc1)N(C)C ZINC000024984486 557828723 /nfs/dbraw/zinc/82/87/23/557828723.db2.gz QDYFYOXLTIXQBQ-IBGZPJMESA-N 0 0 428.627 4.992 50 0 IJAARN C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CCC3=C(C)C[C@H](OC(=O)C(C)=C(C)C)[C@@H]21 ZINC000229955648 557834228 /nfs/dbraw/zinc/83/42/28/557834228.db2.gz AVECJVSAHPKONZ-DCFPFABBSA-N 0 0 442.552 4.751 50 0 IJAARN CCCCCOC[C@@H]1C[C@]2(C[C@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000230136280 557835260 /nfs/dbraw/zinc/83/52/60/557835260.db2.gz MQGRWPHCKCMKFT-IMRHEYAYSA-N 0 0 444.553 4.558 50 0 IJAARN Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC(C)(C)C1)C2 ZINC000014993246 557838486 /nfs/dbraw/zinc/83/84/86/557838486.db2.gz PGPOYSKOQIMXRJ-WMZOPIPTSA-N 0 0 436.577 4.897 50 0 IJAARN O=S(=O)(NC[C@@H](c1ccc(F)cc1F)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000238936977 557842053 /nfs/dbraw/zinc/84/20/53/557842053.db2.gz SRKRDYMEODCGPI-DEOSSOPVSA-N 0 0 442.531 4.747 50 0 IJAARN COc1ccc(OC)c(C2=NN(C(=O)c3cccs3)[C@H](c3cccc(N(C)C)c3)C2)c1 ZINC000242339400 557847742 /nfs/dbraw/zinc/84/77/42/557847742.db2.gz ZHNMPQGHVNOWFE-NRFANRHFSA-N 0 0 435.549 4.823 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2Cc2ccccc2)cc1 ZINC000000874158 557847954 /nfs/dbraw/zinc/84/79/54/557847954.db2.gz ZKYOQKXBPDEGTE-UHFFFAOYSA-N 0 0 445.544 4.986 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)OC1CCCCC1 ZINC000000874250 557848019 /nfs/dbraw/zinc/84/80/19/557848019.db2.gz DUGLSVBTZMCWGU-UHFFFAOYSA-N 0 0 428.945 4.951 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000000887522 557855620 /nfs/dbraw/zinc/85/56/20/557855620.db2.gz OYYIKVPIPAMMKL-UHFFFAOYSA-N 0 0 432.561 4.713 50 0 IJAARN Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000892215 557860452 /nfs/dbraw/zinc/86/04/52/557860452.db2.gz JIVJFNCQNDIMFN-UHFFFAOYSA-N 0 0 428.517 4.709 50 0 IJAARN Cn1nc(-c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2ccccc2c1=O ZINC000001420940 562921821 /nfs/dbraw/zinc/92/18/21/562921821.db2.gz MOFBTSJGZHUSGF-UHFFFAOYSA-N 0 0 439.393 4.751 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1 ZINC000001509655 562922407 /nfs/dbraw/zinc/92/24/07/562922407.db2.gz DNNSSKWZWADMGS-HSZRJFAPSA-N 0 0 436.895 4.541 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1Cc1ccco1 ZINC000002410458 562927441 /nfs/dbraw/zinc/92/74/41/562927441.db2.gz QGFFEGHKRRHRJZ-LJQANCHMSA-N 0 0 436.261 4.894 50 0 IJAARN Cc1c(CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cnn1C ZINC000002503254 562928281 /nfs/dbraw/zinc/92/82/81/562928281.db2.gz VXWMVODYKSRJMU-UHFFFAOYSA-N 0 0 449.352 4.978 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1nnc(C)s1 ZINC000002617631 562928416 /nfs/dbraw/zinc/92/84/16/562928416.db2.gz DLRNHCYYUVCKLQ-NSHDSACASA-N 0 0 433.580 4.871 50 0 IJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)cc1 ZINC000002870681 562930348 /nfs/dbraw/zinc/93/03/48/562930348.db2.gz XZRAPRHDIBCXOT-UHFFFAOYSA-N 0 0 446.638 4.900 50 0 IJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccc(Cl)cc1 ZINC000002948269 562931059 /nfs/dbraw/zinc/93/10/59/562931059.db2.gz NPQOPYGLTXKUKK-UHFFFAOYSA-N 0 0 436.968 4.866 50 0 IJAARN COc1cc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc(OC)c1 ZINC000002948273 562931061 /nfs/dbraw/zinc/93/10/61/562931061.db2.gz STWAVLNHEPMFIF-UHFFFAOYSA-N 0 0 448.548 4.552 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC2 ZINC000003006485 562931617 /nfs/dbraw/zinc/93/16/17/562931617.db2.gz YVJVWQMFOPBTQZ-JOCHJYFZSA-N 0 0 439.458 4.801 50 0 IJAARN Nc1cccc2c1C(=O)N(C(=O)c1cc(-c3ccc(Cl)cc3)nc3ccccc31)C2=O ZINC000003324239 562934200 /nfs/dbraw/zinc/93/42/00/562934200.db2.gz KFUGGVIYKWLXNJ-UHFFFAOYSA-N 0 0 427.847 4.574 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Br)cc1Cl ZINC000003344164 562934560 /nfs/dbraw/zinc/93/45/60/562934560.db2.gz IYTZSNXATGNWQS-UHFFFAOYSA-N 0 0 434.721 4.923 50 0 IJAARN COc1ccc(-c2cc(-c3nnc(COC(=O)[C@@H]4C[C@H]4C)o3)c3ccccc3n2)cc1OC ZINC000003387504 562935151 /nfs/dbraw/zinc/93/51/51/562935151.db2.gz DMGFPNFNXGWPFK-RHSMWYFYSA-N 0 0 445.475 4.668 50 0 IJAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccnc2)cc1 ZINC000004142130 562942238 /nfs/dbraw/zinc/94/22/38/562942238.db2.gz RMGDBFVOOVAVQD-OAQYLSRUSA-N 0 0 436.309 4.844 50 0 IJAARN CC(=O)Nc1ccccc1-c1nc2ccccc2n(Cc2cccc(Br)c2)c1=O ZINC000008587532 562950356 /nfs/dbraw/zinc/95/03/56/562950356.db2.gz NCLMDKLCYMXBGB-UHFFFAOYSA-N 0 0 448.320 4.833 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc32)c(C)c1 ZINC000008589533 562951293 /nfs/dbraw/zinc/95/12/93/562951293.db2.gz BXKXKOXWIUXGCV-UHFFFAOYSA-N 0 0 435.534 4.532 50 0 IJAARN CCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000008589978 562951405 /nfs/dbraw/zinc/95/14/05/562951405.db2.gz ZIJYOGLJCPFJBL-SANMLTNESA-N 0 0 433.935 4.952 50 0 IJAARN COc1ccc(-c2nc(-c3cccc(OC)c3)[nH]c2SCC(=O)NC2CCCC2)cc1 ZINC000008595066 562953273 /nfs/dbraw/zinc/95/32/73/562953273.db2.gz OCGAPHDBOBMQRX-UHFFFAOYSA-N 0 0 437.565 4.912 50 0 IJAARN Cc1ccc2[nH]c(CSc3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc(=O)c2c1 ZINC000008598018 562954120 /nfs/dbraw/zinc/95/41/20/562954120.db2.gz JLOKPXLEHGBFRV-UHFFFAOYSA-N 0 0 442.953 4.886 50 0 IJAARN COc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000008598098 562954200 /nfs/dbraw/zinc/95/42/00/562954200.db2.gz CRSHJPAUKAQJBX-UHFFFAOYSA-N 0 0 434.927 4.938 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000008599023 562954589 /nfs/dbraw/zinc/95/45/89/562954589.db2.gz XHJZFGOMDNIJLB-UHFFFAOYSA-N 0 0 437.908 4.963 50 0 IJAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000008599625 562954783 /nfs/dbraw/zinc/95/47/83/562954783.db2.gz FYFDNYSCSZIGHP-JOCHJYFZSA-N 0 0 435.524 4.502 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000008601252 562955221 /nfs/dbraw/zinc/95/52/21/562955221.db2.gz YLXRLBYVPOOOJH-GOSISDBHSA-N 0 0 439.480 4.712 50 0 IJAARN Cc1nn2c(ncc(C(=O)NCc3ccc(OC(C)C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000008603178 562955931 /nfs/dbraw/zinc/95/59/31/562955931.db2.gz DWIABCUUGRAKCG-UHFFFAOYSA-N 0 0 432.499 4.869 50 0 IJAARN Cc1c(-c2nsc(NC(=O)c3ccc(C)cc3)n2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000008603050 562955970 /nfs/dbraw/zinc/95/59/70/562955970.db2.gz OEHQGOXDONNJND-UHFFFAOYSA-N 0 0 444.442 4.674 50 0 aggregator IJAARN COc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000008611298 562958484 /nfs/dbraw/zinc/95/84/84/562958484.db2.gz OLMVVVWTBFULHB-UHFFFAOYSA-N 0 0 439.943 4.669 50 0 IJAARN COc1ccc(NC(=O)CCn2nc(-c3ccccc3OC)c3c2nc(C)cc3C)cc1 ZINC000008611538 562958629 /nfs/dbraw/zinc/95/86/29/562958629.db2.gz YBXNUMGURGMQSF-UHFFFAOYSA-N 0 0 430.508 4.761 50 0 IJAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NCC)CCCC3)n1 ZINC000008612107 562959022 /nfs/dbraw/zinc/95/90/22/562959022.db2.gz OAWCVOHWNKYECD-UHFFFAOYSA-N 0 0 439.006 4.574 50 0 IJAARN O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC1CCCCC1 ZINC000008649095 562960129 /nfs/dbraw/zinc/96/01/29/562960129.db2.gz AMJOTJTUEGFTSJ-UHFFFAOYSA-N 0 0 441.622 4.674 50 0 IJAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccc(C)cc1)CC(=O)N2Cc1ccccc1 ZINC000008654633 562960226 /nfs/dbraw/zinc/96/02/26/562960226.db2.gz ZATIDHUUECQNLE-QHCPKHFHSA-N 0 0 437.547 4.965 50 0 IJAARN CN(C(=O)CSc1nc(-c2ccccc2)cn1N)C(c1ccccc1)c1ccccc1 ZINC000008670817 562960807 /nfs/dbraw/zinc/96/08/07/562960807.db2.gz KGWMKIJRSULRGY-UHFFFAOYSA-N 0 0 428.561 4.604 50 0 IJAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCc2ccccc21 ZINC000008684501 562962166 /nfs/dbraw/zinc/96/21/66/562962166.db2.gz QTHSBLZZBVBWJS-UHFFFAOYSA-N 0 0 435.940 4.516 50 0 aggregator IJAARN COc1ccccc1Cc1nc2ccccc2nc1SCC(=O)NCc1ccc(C)cc1 ZINC000008831434 562965031 /nfs/dbraw/zinc/96/50/31/562965031.db2.gz WJUYCDHIMVDXMX-UHFFFAOYSA-N 0 0 443.572 4.946 50 0 IJAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000009348471 562969460 /nfs/dbraw/zinc/96/94/60/562969460.db2.gz MAEGRJLFCPYHOS-UHFFFAOYSA-N 0 0 432.545 4.849 50 0 IJAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000009382204 562969709 /nfs/dbraw/zinc/96/97/09/562969709.db2.gz URJUIFFZHFHHMG-HXUWFJFHSA-N 0 0 439.562 4.501 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009502777 562972418 /nfs/dbraw/zinc/97/24/18/562972418.db2.gz JKGGFVABTBFVOC-IBGZPJMESA-N 0 0 445.592 4.917 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)c3ccccc3n2)cc1OC ZINC000009714424 562975838 /nfs/dbraw/zinc/97/58/38/562975838.db2.gz MTTQKEUKWURFMB-JOCHJYFZSA-N 0 0 445.519 4.545 50 0 IJAARN COc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC ZINC000011816979 562979408 /nfs/dbraw/zinc/97/94/08/562979408.db2.gz ZXLOVQQNWVJKPM-IBGZPJMESA-N 0 0 449.551 4.650 50 0 IJAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccc2c(c1)CCO2 ZINC000011821316 562979529 /nfs/dbraw/zinc/97/95/29/562979529.db2.gz AAAFPYOPAKKARY-DEOSSOPVSA-N 0 0 429.520 4.802 50 0 IJAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000013002850 562983896 /nfs/dbraw/zinc/98/38/96/562983896.db2.gz LCNBLHLYMUXTMK-UHFFFAOYSA-N 0 0 444.906 4.616 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)COc2ccccc2C(C)C)cs1 ZINC000030623006 563083127 /nfs/dbraw/zinc/08/31/27/563083127.db2.gz ZTXOGAFWFNDBFJ-UHFFFAOYSA-N 0 0 438.549 4.878 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C ZINC000038239930 563097184 /nfs/dbraw/zinc/09/71/84/563097184.db2.gz COSPVUFTLGQDQL-UHFFFAOYSA-N 0 0 437.244 4.780 50 0 investigational IJAARN C[C@@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015945 563143030 /nfs/dbraw/zinc/14/30/30/563143030.db2.gz NMEGQXPTZNDYOB-XXBNENTESA-N 0 0 426.630 4.632 50 0 IJAARN Cn1cc(CN2CCN(Cc3cccnc3)CC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000023374876 568613564 /nfs/dbraw/zinc/61/35/64/568613564.db2.gz FIVBJHJWUYKAEN-UHFFFAOYSA-N 0 0 439.563 4.592 50 0 IJAARN Cc1cccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 ZINC000033252288 568615248 /nfs/dbraw/zinc/61/52/48/568615248.db2.gz PIWOFPYRIHESEL-KRWDZBQOSA-N 0 0 437.609 4.693 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000014834661 568623242 /nfs/dbraw/zinc/62/32/42/568623242.db2.gz VNSTXDGTUAQELA-UHFFFAOYSA-N 0 0 439.737 4.602 50 0 IJAARN CCOc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc(Cl)c2)cc1 ZINC000086066373 568644357 /nfs/dbraw/zinc/64/43/57/568644357.db2.gz ZTBVNGDRCXSJCQ-UHFFFAOYSA-N 0 0 435.915 4.640 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OCC)cc32)cc1 ZINC000000952880 568644817 /nfs/dbraw/zinc/64/48/17/568644817.db2.gz BNYQJZURLVISKY-UHFFFAOYSA-N 0 0 436.464 4.509 50 0 IJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000952864 568645788 /nfs/dbraw/zinc/64/57/88/568645788.db2.gz VLNYARUFFYXNAN-UHFFFAOYSA-N 0 0 428.872 4.994 50 0 IJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000956344 568645844 /nfs/dbraw/zinc/64/58/44/568645844.db2.gz GFEWNCOPAONJAH-RUZDIDTESA-N 0 0 442.515 4.979 50 0 IJAARN COc1ccc([C@@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000000956363 568645940 /nfs/dbraw/zinc/64/59/40/568645940.db2.gz XUMKLEQQWKVXHT-VWLOTQADSA-N 0 0 442.515 4.979 50 0 IJAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000001018874 568651175 /nfs/dbraw/zinc/65/11/75/568651175.db2.gz HFIZKZWNXJHKDY-UHFFFAOYSA-N 0 0 436.961 4.556 50 0 IJAARN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3cnn(-c4ccccc4)c3)C2=O)cc1 ZINC000025306988 568651213 /nfs/dbraw/zinc/65/12/13/568651213.db2.gz KNPMVFLLEJRISE-MYYYXRDXSA-N 0 0 435.483 4.604 50 0 IJAARN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NCCc1ccccc1 ZINC000001059247 568655385 /nfs/dbraw/zinc/65/53/85/568655385.db2.gz AUICINAQYDQCLV-UHFFFAOYSA-N 0 0 447.585 5.000 50 0 IJAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(C)cc21 ZINC000001072117 568655826 /nfs/dbraw/zinc/65/58/26/568655826.db2.gz CIEZYRKWDVEGRC-UHFFFAOYSA-N 0 0 427.353 4.621 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015139710 568688123 /nfs/dbraw/zinc/68/81/23/568688123.db2.gz DPTHADQJOPLYBW-UHFFFAOYSA-N 0 0 449.532 4.557 50 0 IJAARN COc1cc(-c2nnc3sc(/C=C\c4ccc(Cl)cc4)nn32)cc(OC)c1OC ZINC000211084857 568723657 /nfs/dbraw/zinc/72/36/57/568723657.db2.gz XJPNISYWNYRTCV-TWGQIWQCSA-N 0 0 428.901 4.702 50 0 IJAARN CCc1cccc(C)c1N(C(=O)Cn1c(CN2CCCC2)nc2ccccc21)[C@@H](C)COC ZINC000082086951 568735273 /nfs/dbraw/zinc/73/52/73/568735273.db2.gz ZYQVCWRAAKFJGU-NRFANRHFSA-N 0 0 448.611 4.571 50 0 IJAARN O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)Nc1cccc2nsnc21 ZINC000019101228 568736702 /nfs/dbraw/zinc/73/67/02/568736702.db2.gz FHZGJCHEXRSVKI-UHFFFAOYSA-N 0 0 438.896 4.615 50 0 IJAARN Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000001206266 568737154 /nfs/dbraw/zinc/73/71/54/568737154.db2.gz MGLXXPNFTJFQDE-IUXPMGMMSA-N 0 0 447.310 4.592 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c(C)c1 ZINC000006013470 568740059 /nfs/dbraw/zinc/74/00/59/568740059.db2.gz ZOWCJGLMSUAKQE-XMMPIXPASA-N 0 0 435.589 4.701 50 0 IJAARN Nc1c(Cl)cc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)cc1Cl ZINC000031602935 568740907 /nfs/dbraw/zinc/74/09/07/568740907.db2.gz QHHHNQZICLWONL-UHFFFAOYSA-N 0 0 426.101 4.776 50 0 IJAARN COc1ccc(C(=O)c2sc(Nc3ccc(C)c(C)c3)c(C(=O)NC3CC3)c2N)cc1 ZINC000003222988 568743115 /nfs/dbraw/zinc/74/31/15/568743115.db2.gz GFMJEIWBNBMYFS-UHFFFAOYSA-N 0 0 435.549 4.823 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)N1CCC(Cc2ccccc2)CC1 ZINC000003349604 568746687 /nfs/dbraw/zinc/74/66/87/568746687.db2.gz GAOZDSVBXCEZRQ-UHFFFAOYSA-N 0 0 442.559 4.752 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)c1ccc[nH]1 ZINC000003366864 568747925 /nfs/dbraw/zinc/74/79/25/568747925.db2.gz MEXJHZAWCGSZSE-UHFFFAOYSA-N 0 0 429.423 4.708 50 0 IJAARN C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003421259 568748877 /nfs/dbraw/zinc/74/88/77/568748877.db2.gz VRXMSKADMMXGAI-CYBMUJFWSA-N 0 0 443.286 4.803 50 0 IJAARN COc1ccc(-c2cc(C(=O)N[C@@H](c3nc(-c4ccccc4)no3)C(C)(C)C)no2)cc1 ZINC000334163353 568751290 /nfs/dbraw/zinc/75/12/90/568751290.db2.gz ZDJFMXFNKSONLM-FQEVSTJZSA-N 0 0 432.480 4.917 50 0 IJAARN CCCCCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4OC)c(=O)n3n2)cc1 ZINC000003649050 568752549 /nfs/dbraw/zinc/75/25/49/568752549.db2.gz VIKQNQLBTJKNJB-MPKDLLNHSA-N 0 0 447.560 4.608 50 0 IJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OCC)c(=O)n3n2)cc1 ZINC000003649128 568752556 /nfs/dbraw/zinc/75/25/56/568752556.db2.gz XKXVQXLDPNHAPZ-XLNRJJMWSA-N 0 0 449.576 4.724 50 0 IJAARN CCCCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000003652513 568752955 /nfs/dbraw/zinc/75/29/55/568752955.db2.gz VIDXOJMNFVZSTN-NRFANRHFSA-N 0 0 430.570 4.715 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000015279987 568754839 /nfs/dbraw/zinc/75/48/39/568754839.db2.gz LVWDYGUGGRQWSO-HNNXBMFYSA-N 0 0 446.931 4.679 50 0 IJAARN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)N(CCc1ccccc1)Cc1ccccc1 ZINC000299756604 568755579 /nfs/dbraw/zinc/75/55/79/568755579.db2.gz FJUKPTXZCVPKMB-HHHXNRCGSA-N 0 0 430.548 4.523 50 0 IJAARN COCCN(Cc1cc2c(OC)ccc(OC)c2nc1-c1ccc(Cl)cc1)C(C)=O ZINC000299766511 568756475 /nfs/dbraw/zinc/75/64/75/568756475.db2.gz JLUIUWLPPQTOJY-UHFFFAOYSA-N 0 0 428.916 4.567 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc2c1OCCO2 ZINC000263585114 568758872 /nfs/dbraw/zinc/75/88/72/568758872.db2.gz FGSBJZKEWJNXCP-IBGZPJMESA-N 0 0 440.499 4.944 50 0 biogenic IJAARN Cc1cc(C)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000015391051 568761364 /nfs/dbraw/zinc/76/13/64/568761364.db2.gz SWOHBVNZJBTFFM-IBGZPJMESA-N 0 0 434.989 4.837 50 0 IJAARN CCOc1cc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc(OCC)c1OCC ZINC000005440732 568774406 /nfs/dbraw/zinc/77/44/06/568774406.db2.gz KTZDTNDCSCJNOA-UHFFFAOYSA-N 0 0 426.513 4.570 50 0 IJAARN COC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000001239390 568774548 /nfs/dbraw/zinc/77/45/48/568774548.db2.gz PYVORJXQTJOZIL-UHFFFAOYSA-N 0 0 431.583 4.554 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001243016 568774680 /nfs/dbraw/zinc/77/46/80/568774680.db2.gz JKWQIZONLKQHEN-JOCHJYFZSA-N 0 0 446.503 4.713 50 0 IJAARN O=C1Nc2c(cccc2Cl)[C@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032100549 568780344 /nfs/dbraw/zinc/78/03/44/568780344.db2.gz XSXLAFJSBRAARL-IBGZPJMESA-N 0 0 448.788 4.654 50 0 IJAARN Nc1cccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccccc3Cl)C2=O)c1 ZINC000004124758 568780696 /nfs/dbraw/zinc/78/06/96/568780696.db2.gz JFNJOUBGJAFDBY-QHCPKHFHSA-N 0 0 441.314 4.583 50 0 IJAARN COC(=O)CCCCCCCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000083884734 568784480 /nfs/dbraw/zinc/78/44/80/568784480.db2.gz ATKUTCWLCXLVPF-UHFFFAOYSA-N 0 0 445.869 4.788 50 0 IJAARN Cc1c(Cl)cccc1-n1ccn2c(SCc3c(F)cccc3Cl)nnc2c1=O ZINC000046047707 568786840 /nfs/dbraw/zinc/78/68/40/568786840.db2.gz FFUITKWCEKBQAD-UHFFFAOYSA-N 0 0 435.311 4.927 50 0 IJAARN CC[C@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)Nc1cccc(C(C)=O)c1 ZINC000002746304 568788972 /nfs/dbraw/zinc/78/89/72/568788972.db2.gz LZRSWSZLTWOQHU-QHCPKHFHSA-N 0 0 430.504 4.890 50 0 IJAARN CCNc1nc(NC(C)(C)C)nc(S[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001419238 568791214 /nfs/dbraw/zinc/79/12/14/568791214.db2.gz QKGJVQVPAJCZDO-SNVBAGLBSA-N 0 0 443.404 4.940 50 0 IJAARN CCOC(=O)C1C(CNc2ccc(C)c(Cl)c2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001423289 568793554 /nfs/dbraw/zinc/79/35/54/568793554.db2.gz BGPUZZZKKFICPH-OAQYLSRUSA-N 0 0 427.932 4.548 50 0 IJAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H](C)c1nc3ccccc3n1C(C)C)CC2 ZINC000084286957 568796818 /nfs/dbraw/zinc/79/68/18/568796818.db2.gz BOMQBFUUDOITNM-DZGCQCFKSA-N 0 0 445.489 4.717 50 0 IJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2C)o1 ZINC000004212874 568797023 /nfs/dbraw/zinc/79/70/23/568797023.db2.gz ACZNOPJFLWSRCE-UHFFFAOYSA-N 0 0 435.505 4.923 50 0 IJAARN O=C1c2ccccc2N[C@H](C2=Cc3cc(Br)ccc3OC2)N1CC(F)(F)F ZINC000084576903 568798755 /nfs/dbraw/zinc/79/87/55/568798755.db2.gz KDCCBLQLYBXWPD-KRWDZBQOSA-N 0 0 439.231 4.681 50 0 IJAARN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(Cl)ccc1F ZINC000015607985 568799511 /nfs/dbraw/zinc/79/95/11/568799511.db2.gz PVYNDHZAKCNULZ-UHFFFAOYSA-N 0 0 431.316 4.559 50 0 IJAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000084673769 568799726 /nfs/dbraw/zinc/79/97/26/568799726.db2.gz RCUQOMQOAJKHDB-UHFFFAOYSA-N 0 0 439.562 4.889 50 0 IJAARN C[C@H]1CN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)C[C@H](C)O1 ZINC000084713797 568800243 /nfs/dbraw/zinc/80/02/43/568800243.db2.gz GIQFAKHPWSIZOB-RYUDHWBXSA-N 0 0 447.379 4.985 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000015676227 568804214 /nfs/dbraw/zinc/80/42/14/568804214.db2.gz BBSJPYRWDRKUPH-SANMLTNESA-N 0 0 436.600 4.665 50 0 IJAARN O=C(Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21)NCCC1=CCCCC1 ZINC000015680797 568806088 /nfs/dbraw/zinc/80/60/88/568806088.db2.gz SISLBQLAPGYSNQ-UHFFFAOYSA-N 0 0 436.577 4.622 50 0 IJAARN O=C1CCSc2ccc(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)cc2N1 ZINC000015731085 568813937 /nfs/dbraw/zinc/81/39/37/568813937.db2.gz KMGOCJDONZVIMG-UHFFFAOYSA-N 0 0 436.624 4.706 50 0 IJAARN CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)cc2)CC1 ZINC000015730981 568814360 /nfs/dbraw/zinc/81/43/60/568814360.db2.gz WMDFKHQSDUAJRQ-MRXNPFEDSA-N 0 0 445.610 4.547 50 0 IJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000085391571 568816729 /nfs/dbraw/zinc/81/67/29/568816729.db2.gz PARXYEOIDWUZHU-VWLOTQADSA-N 0 0 431.492 4.640 50 0 IJAARN Cc1sc2c(c1C)C(c1ccc(F)cc1)=NCC(=O)N2CC(=O)Nc1cc(C)ccc1C ZINC000015775438 568823632 /nfs/dbraw/zinc/82/36/32/568823632.db2.gz RYQRHLFDKMYEQC-UHFFFAOYSA-N 0 0 449.551 4.944 50 0 IJAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])c1OC ZINC000015777009 568823644 /nfs/dbraw/zinc/82/36/44/568823644.db2.gz HSBIMWWARMQDOL-UHFFFAOYSA-N 0 0 436.552 4.775 50 0 IJAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3c[nH]c4ccccc34)c(C(=O)[O-])c2C)c1 ZINC000015777082 568823740 /nfs/dbraw/zinc/82/37/40/568823740.db2.gz GSDWKHNKOOUNLG-UHFFFAOYSA-N 0 0 431.536 4.674 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)NCc2ccc(F)cc2)C2CCCCC2)c1C ZINC000085712375 568835641 /nfs/dbraw/zinc/83/56/41/568835641.db2.gz HHTTUJYSIWQSNV-UHFFFAOYSA-N 0 0 429.536 4.992 50 0 IJAARN Cc1cc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4C)s3)[nH]c2c1 ZINC000015787072 568836443 /nfs/dbraw/zinc/83/64/43/568836443.db2.gz WWCCZFGPUJSAGW-UHFFFAOYSA-N 0 0 436.562 4.849 50 0 IJAARN C[C@H]1CCCC[C@H]1NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000015796835 568839011 /nfs/dbraw/zinc/83/90/11/568839011.db2.gz LAEQCPCQGSLNOC-WMLDXEAASA-N 0 0 427.595 4.580 50 0 IJAARN O=C([C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)C[C@H]12)N1CCCCC1 ZINC000104920396 568839167 /nfs/dbraw/zinc/83/91/67/568839167.db2.gz IFNJGUUYCRACNG-JTHBVZDNSA-N 0 0 443.513 4.585 50 0 IJAARN COc1ccc(N2CN=C(c3ccccc3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000015860623 568847842 /nfs/dbraw/zinc/84/78/42/568847842.db2.gz XMZBOMBIIPHIHP-UHFFFAOYSA-N 0 0 430.533 4.647 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(F)cc3F)cc(=O)n2c1 ZINC000015865502 568850770 /nfs/dbraw/zinc/85/07/70/568850770.db2.gz BMXQDIAWHAJQFF-UHFFFAOYSA-N 0 0 436.418 4.504 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4F)nc3n2)cc1 ZINC000015868176 568851137 /nfs/dbraw/zinc/85/11/37/568851137.db2.gz NWBDJEDDSLBHNB-UHFFFAOYSA-N 0 0 433.340 4.649 50 0 IJAARN O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NCc1ccco1 ZINC000015869747 568851371 /nfs/dbraw/zinc/85/13/71/568851371.db2.gz ZRCDMPJAPYSMKG-UHFFFAOYSA-N 0 0 443.503 4.647 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)C4CCCCC4)nc3c2)cc1 ZINC000015870216 568851583 /nfs/dbraw/zinc/85/15/83/568851583.db2.gz HEJLFPUGODFAPR-UHFFFAOYSA-N 0 0 445.566 4.625 50 0 IJAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 ZINC000015870303 568851701 /nfs/dbraw/zinc/85/17/01/568851701.db2.gz OPJKHMRBLSROQJ-UHFFFAOYSA-N 0 0 431.583 4.989 50 0 IJAARN Cn1c2ccccc2nc1CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000015870632 568851973 /nfs/dbraw/zinc/85/19/73/568851973.db2.gz VPCBIDYZXAMHAT-UHFFFAOYSA-N 0 0 425.941 4.813 50 0 IJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 ZINC000015882509 568857123 /nfs/dbraw/zinc/85/71/23/568857123.db2.gz DLNGWTGWVNQGSW-UHFFFAOYSA-N 0 0 438.530 4.715 50 0 IJAARN COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)cc1Cl ZINC000015970543 568861369 /nfs/dbraw/zinc/86/13/69/568861369.db2.gz XLIZNDBHOCOYHZ-CQSZACIVSA-N 0 0 437.323 4.502 50 0 IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)c12 ZINC000016042692 568868388 /nfs/dbraw/zinc/86/83/88/568868388.db2.gz CQGHIAYMASTDEX-HSZRJFAPSA-N 0 0 437.492 4.520 50 0 IJAARN COc1ccc(NC(=O)C2(N(C=O)CCc3c[nH]c4ccccc34)CCCCC2)c(OC)c1 ZINC000575443871 568869845 /nfs/dbraw/zinc/86/98/45/568869845.db2.gz OYXVUCRCEZEUAZ-UHFFFAOYSA-N 0 0 449.551 4.528 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)C[C@H]4COc5ccccc5O4)cc3)o2)c1 ZINC000012946313 568871229 /nfs/dbraw/zinc/87/12/29/568871229.db2.gz PZUWEAGHCCRUFG-NRFANRHFSA-N 0 0 441.487 4.624 50 0 IJAARN O=C(c1ccccc1Br)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000575615522 568881303 /nfs/dbraw/zinc/88/13/03/568881303.db2.gz PXBCALIOGLYEQV-UHFFFAOYSA-N 0 0 430.268 4.749 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575617771 568881922 /nfs/dbraw/zinc/88/19/22/568881922.db2.gz RAJZAKFKPYUBDV-HSZRJFAPSA-N 0 0 437.543 4.782 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)c1 ZINC000575621378 568883247 /nfs/dbraw/zinc/88/32/47/568883247.db2.gz NUZDMALTWWBXET-GOSISDBHSA-N 0 0 433.371 4.705 50 0 IJAARN Cc1sc2ncn(CC(=O)N(C)Cc3ccc(Cl)s3)c(=O)c2c1-c1ccccc1 ZINC000009495301 568883479 /nfs/dbraw/zinc/88/34/79/568883479.db2.gz FUHRQJODJNMPKX-UHFFFAOYSA-N 0 0 443.981 4.807 50 0 IJAARN Cc1cccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009518489 568883628 /nfs/dbraw/zinc/88/36/28/568883628.db2.gz JDBMYVRGDDWUPI-UHFFFAOYSA-N 0 0 428.444 4.903 50 0 IJAARN Ic1ccc2c(/C=C/c3ccccn3)nn([C@H]3CCCCO3)c2c1 ZINC000069593878 568884402 /nfs/dbraw/zinc/88/44/02/568884402.db2.gz QXJFRDDGGSSQDX-LHUXKHBRSA-N 0 0 431.277 4.905 50 0 IJAARN COc1ccc(CC(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1OC ZINC000090607074 568889761 /nfs/dbraw/zinc/88/97/61/568889761.db2.gz JGQNKUMIWGDPKV-UHFFFAOYSA-N 0 0 425.554 4.603 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c(C)n1C1CC1 ZINC000012978705 568891818 /nfs/dbraw/zinc/89/18/18/568891818.db2.gz GEQSFNIWBRXPLP-UHFFFAOYSA-N 0 0 441.528 4.940 50 0 IJAARN CCCCCNC(=O)C1CCN(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)CC1 ZINC000040108099 568896499 /nfs/dbraw/zinc/89/64/99/568896499.db2.gz UJJHSCUTVDUCHK-BUHFOSPRSA-N 0 0 434.580 4.824 50 0 IJAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C=Cc3ccc(OCC(C)C)c(OC)c3)c2)n1 ZINC000040122446 568896630 /nfs/dbraw/zinc/89/66/30/568896630.db2.gz ZUWKYEQSCFIVNH-ZRDIBKRKSA-N 0 0 447.535 4.695 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013010369 568899806 /nfs/dbraw/zinc/89/98/06/568899806.db2.gz GJLGYMYJJJNRER-UHFFFAOYSA-N 0 0 444.453 4.728 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N(C)C1CCCCC1 ZINC000013010376 568899974 /nfs/dbraw/zinc/89/99/74/568899974.db2.gz LMRBHVKCGQYBEY-UHFFFAOYSA-N 0 0 434.540 4.855 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000027839980 568905367 /nfs/dbraw/zinc/90/53/67/568905367.db2.gz LWHQQICNECELPM-FFSVYQOJSA-N 0 0 439.305 4.985 50 0 IJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCC[C@H]2c2cccn2C)cc1 ZINC000239328968 568911243 /nfs/dbraw/zinc/91/12/43/568911243.db2.gz JXHRYHWWFNUIIJ-IZZNHLLZSA-N 0 0 442.563 4.549 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)C[C@H]1COc2ccccc2O1 ZINC000241776834 568912322 /nfs/dbraw/zinc/91/23/22/568912322.db2.gz RTBCDLOXEBUOGT-CPJSRVTESA-N 0 0 432.520 4.537 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)C[C@H]1COc2ccccc2O1 ZINC000241776835 568912367 /nfs/dbraw/zinc/91/23/67/568912367.db2.gz RTBCDLOXEBUOGT-NBGIEHNGSA-N 0 0 432.520 4.537 50 0 IJAARN CC(=O)O[C@H]1C=C2C(C)=C[C@@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000245247222 568913480 /nfs/dbraw/zinc/91/34/80/568913480.db2.gz SDHHPVPFUVQWKY-NUEDSNLWSA-N 0 0 428.569 4.938 50 0 IJAARN CCCCOc1ccc(-c2nc3s/c(=C\c4cccc5ccccc45)c(=O)n3n2)cc1 ZINC000026841827 568918052 /nfs/dbraw/zinc/91/80/52/568918052.db2.gz CEJZURHVLLMKHF-JWGURIENSA-N 0 0 427.529 4.698 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000035769338 568919855 /nfs/dbraw/zinc/91/98/55/568919855.db2.gz BCUNDTJPVSIBIH-UHFFFAOYSA-N 0 0 443.595 4.964 50 0 IJAARN CC(=O)OC1=CC[C@@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H](OC(C)=O)C[C@]12C ZINC000253497899 568920255 /nfs/dbraw/zinc/92/02/55/568920255.db2.gz NWOUTDZVRWQQMQ-AZLIPWSYSA-N 0 0 446.584 4.949 50 0 IJAARN CCCCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)C ZINC000016498419 568920440 /nfs/dbraw/zinc/92/04/40/568920440.db2.gz IMZUVHGLZLHNLW-UHFFFAOYSA-N 0 0 436.549 4.561 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000089365277 568921173 /nfs/dbraw/zinc/92/11/73/568921173.db2.gz IYKFOXHYGYDAEQ-UHFFFAOYSA-N 0 0 447.512 4.893 50 0 IJAARN CCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000016566633 568922312 /nfs/dbraw/zinc/92/23/12/568922312.db2.gz PVXQZALVODKNAZ-UHFFFAOYSA-N 0 0 439.922 4.982 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)OCC(=O)NCc1ccccc1 ZINC000001915311 568922480 /nfs/dbraw/zinc/92/24/80/568922480.db2.gz UFTSKZCKFCPPQY-XNTDXEJSSA-N 0 0 435.907 4.792 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001961441 568924034 /nfs/dbraw/zinc/92/40/34/568924034.db2.gz MWEBGBDYKBOVIH-UHFFFAOYSA-N 0 0 429.423 4.783 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SCCCN2[C@H]1c1ccc(NC(=O)c2ccccc2)cc1 ZINC000016613702 568925741 /nfs/dbraw/zinc/92/57/41/568925741.db2.gz RLZFRMKCHRMNBC-NRFANRHFSA-N 0 0 435.549 4.626 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(SCc2ccc(OC[C@@H]3CCCO3)cc2)n[nH]1 ZINC000089466083 568925938 /nfs/dbraw/zinc/92/59/38/568925938.db2.gz BQNIGFOFASXRNF-KRWDZBQOSA-N 0 0 431.945 4.984 50 0 IJAARN CN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000035829361 568927839 /nfs/dbraw/zinc/92/78/39/568927839.db2.gz ZWHVGVJAUPRZNQ-UHFFFAOYSA-N 0 0 441.457 4.819 50 0 IJAARN Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000035829751 568928011 /nfs/dbraw/zinc/92/80/11/568928011.db2.gz HQJCVHNHKWDQRO-UHFFFAOYSA-N 0 0 434.371 4.918 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)cc1 ZINC000064452309 568929283 /nfs/dbraw/zinc/92/92/83/568929283.db2.gz QAPZBCCQAFFSKZ-IBGZPJMESA-N 0 0 436.943 4.764 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)cc1 ZINC000064452321 568929298 /nfs/dbraw/zinc/92/92/98/568929298.db2.gz UZTOYFILNLWYRT-IBGZPJMESA-N 0 0 436.943 4.764 50 0 IJAARN CCOC(=O)c1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc32)cc1 ZINC000064474009 568929996 /nfs/dbraw/zinc/92/99/96/568929996.db2.gz CPCPMHRKVPGQOT-UHFFFAOYSA-N 0 0 433.508 4.790 50 0 IJAARN COc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474147 568930156 /nfs/dbraw/zinc/93/01/56/568930156.db2.gz PLTCOQZXRXMGRR-INIZCTEOSA-N 0 0 435.524 4.876 50 0 IJAARN Cn1nc(COCc2ccccc2)c2c1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000064565778 568932596 /nfs/dbraw/zinc/93/25/96/568932596.db2.gz MMSJQZPXSNHFQO-UHFFFAOYSA-N 0 0 444.457 4.746 50 0 IJAARN Cn1nc(COCc2ccc(F)cc2Cl)c2c1CCN(C(=O)Nc1ccccc1F)C2 ZINC000064565823 568932700 /nfs/dbraw/zinc/93/27/00/568932700.db2.gz QOGDQKZFGBFFDP-UHFFFAOYSA-N 0 0 446.885 4.659 50 0 IJAARN Cn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccccc1Cl)C2 ZINC000064565911 568932706 /nfs/dbraw/zinc/93/27/06/568932706.db2.gz BYTQWMBLFMSJRR-UHFFFAOYSA-N 0 0 428.895 4.520 50 0 IJAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4cccc(OC)c4)c3)ncn2)cc1 ZINC000064578410 568934269 /nfs/dbraw/zinc/93/42/69/568934269.db2.gz JTYQCMCDKFSSEC-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN Cc1oc2cc(OCCN3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000054307032 568937373 /nfs/dbraw/zinc/93/73/73/568937373.db2.gz HNHKTYATTMBBRU-UHFFFAOYSA-N 0 0 440.543 4.969 50 0 biogenic IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3ccccc3C(C)C)n2)cc1 ZINC000064605346 568939474 /nfs/dbraw/zinc/93/94/74/568939474.db2.gz QVBKDMYXTWFALO-UHFFFAOYSA-N 0 0 446.551 4.575 50 0 IJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21)NC1CCCCC1 ZINC000002065662 568941605 /nfs/dbraw/zinc/94/16/05/568941605.db2.gz SMQOPZICLQRXOA-UHFFFAOYSA-N 0 0 431.252 4.598 50 0 IJAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656651 568942190 /nfs/dbraw/zinc/94/21/90/568942190.db2.gz WAOXVXLKXUWEPD-SFHVURJKSA-N 0 0 427.547 4.844 50 0 IJAARN CCc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)cc1 ZINC000064664537 568943581 /nfs/dbraw/zinc/94/35/81/568943581.db2.gz ABBSEFLTYXKWMS-UHFFFAOYSA-N 0 0 426.343 4.965 50 0 IJAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc(Cl)cc1 ZINC000036069040 568945465 /nfs/dbraw/zinc/94/54/65/568945465.db2.gz LTRXNPXHOFLNRC-KRWDZBQOSA-N 0 0 426.948 4.700 50 0 IJAARN CCCc1c(C)nc2nc(-c3ccco3)nn2c1N1CCN(c2cccc(C)c2C)CC1 ZINC000064727899 568945725 /nfs/dbraw/zinc/94/57/25/568945725.db2.gz CHIDCFPZFHMQQV-UHFFFAOYSA-N 0 0 430.556 4.589 50 0 IJAARN Cc1cccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccc(F)cc2)c1 ZINC000036072507 568946055 /nfs/dbraw/zinc/94/60/55/568946055.db2.gz QGYNCHQDGOIXPV-UHFFFAOYSA-N 0 0 433.483 4.848 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036083483 568947211 /nfs/dbraw/zinc/94/72/11/568947211.db2.gz RXMSVBDRMDEBAH-OAQYLSRUSA-N 0 0 428.916 4.549 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036083484 568947234 /nfs/dbraw/zinc/94/72/34/568947234.db2.gz RXMSVBDRMDEBAH-NRFANRHFSA-N 0 0 428.916 4.549 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083689 568947461 /nfs/dbraw/zinc/94/74/61/568947461.db2.gz FBHGBOXAUJXUDC-OAQYLSRUSA-N 0 0 428.916 4.549 50 0 IJAARN CCc1cccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)c1 ZINC000064746955 568950215 /nfs/dbraw/zinc/95/02/15/568950215.db2.gz QRTMOXJCOHYTAS-UHFFFAOYSA-N 0 0 440.528 4.874 50 0 IJAARN Cc1ccccc1NC(=O)Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O ZINC000064746936 568950288 /nfs/dbraw/zinc/95/02/88/568950288.db2.gz HIPDONZQYYGRCH-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN Cc1nc2c3ccc(-c4ccccc4)nc3sc2c(=O)n1CC(=O)Nc1cccc(F)c1 ZINC000064747000 568950356 /nfs/dbraw/zinc/95/03/56/568950356.db2.gz WCHWDGGAOUKMRI-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccc(Br)cc2)n1 ZINC000064748038 568950553 /nfs/dbraw/zinc/95/05/53/568950553.db2.gz GMLKYJLMYHYIAH-UHFFFAOYSA-N 0 0 440.341 4.830 50 0 IJAARN COc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102946 568952855 /nfs/dbraw/zinc/95/28/55/568952855.db2.gz WCBRMCPHLMXWDF-JOCHJYFZSA-N 0 0 429.919 4.930 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1C ZINC000036105458 568953178 /nfs/dbraw/zinc/95/31/78/568953178.db2.gz YNJDEORXACLXLF-UHFFFAOYSA-N 0 0 430.957 4.973 50 0 IJAARN CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115372 568955274 /nfs/dbraw/zinc/95/52/74/568955274.db2.gz KHEAGFXOZNJHEH-KRWDZBQOSA-N 0 0 446.594 4.720 50 0 IJAARN CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC(C)C ZINC000036116634 568955768 /nfs/dbraw/zinc/95/57/68/568955768.db2.gz MRMIOOFXUMVUKO-QHCPKHFHSA-N 0 0 442.625 4.881 50 0 IJAARN CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)C(C)C ZINC000036119902 568956949 /nfs/dbraw/zinc/95/69/49/568956949.db2.gz LKYLRVQSDRPQRS-SIKLNZKXSA-N 0 0 442.625 4.844 50 0 IJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)CC(C)C)C2CC2)cc1 ZINC000036119952 568956961 /nfs/dbraw/zinc/95/69/61/568956961.db2.gz ORDAMJHYZULSRV-QFIPXVFZSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1 ZINC000036120050 568957020 /nfs/dbraw/zinc/95/70/20/568957020.db2.gz OSNKUFMYAAHIQU-NRFANRHFSA-N 0 0 442.625 4.844 50 0 IJAARN Cc1cccc(C(=O)Oc2ccc(Nc3cc(C)nc4nc(-c5cccnc5)nn43)cc2)c1 ZINC000064791261 568957319 /nfs/dbraw/zinc/95/73/19/568957319.db2.gz NEMQNWAVJSPLTP-UHFFFAOYSA-N 0 0 436.475 4.766 50 0 IJAARN CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C(=O)C1CC1 ZINC000036121938 568958058 /nfs/dbraw/zinc/95/80/58/568958058.db2.gz WGQGNMXLZKKRPZ-NQIIRXRSSA-N 0 0 440.609 4.598 50 0 IJAARN Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C(=O)CC(C)C)C1CC1 ZINC000036122010 568958173 /nfs/dbraw/zinc/95/81/73/568958173.db2.gz LKZQHQCEAJRIAY-OAQYLSRUSA-N 0 0 440.609 4.598 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1sc2ncccc2c1N ZINC000064794139 568959897 /nfs/dbraw/zinc/95/98/97/568959897.db2.gz SQQMPRJSGOBNRG-UHFFFAOYSA-N 0 0 438.582 4.505 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815760 568963424 /nfs/dbraw/zinc/96/34/24/568963424.db2.gz WNKTWHZSSCCHBH-VWLOTQADSA-N 0 0 448.592 4.706 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c1 ZINC000036152639 568963590 /nfs/dbraw/zinc/96/35/90/568963590.db2.gz XQDXLKXWLPJJOO-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c1 ZINC000064815901 568963593 /nfs/dbraw/zinc/96/35/93/568963593.db2.gz MAIOMHCKJPKBKU-XMMPIXPASA-N 0 0 436.581 4.562 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c(C)c1 ZINC000064815905 568963623 /nfs/dbraw/zinc/96/36/23/568963623.db2.gz AOAFKTVMOOAWJS-XMMPIXPASA-N 0 0 436.581 4.562 50 0 IJAARN O=C(Nc1ccccc1)N1CCS[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036151294 568963929 /nfs/dbraw/zinc/96/39/29/568963929.db2.gz QQAFZJWGCJFXAV-DEOSSOPVSA-N 0 0 433.508 4.806 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3cccs3)c(=O)c21 ZINC000064817574 568964917 /nfs/dbraw/zinc/96/49/17/568964917.db2.gz JEEPKKWACHCEMH-UHFFFAOYSA-N 0 0 430.986 4.977 50 0 IJAARN O=C(c1cc2ccccc2oc1=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818309 568966415 /nfs/dbraw/zinc/96/64/15/568966415.db2.gz MCIWJOCYIWQLJH-UHFFFAOYSA-N 0 0 435.867 4.516 50 0 IJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1c(F)cccc1F ZINC000036167058 568967698 /nfs/dbraw/zinc/96/76/98/568967698.db2.gz BDWAHZDQBYVKJJ-DEOSSOPVSA-N 0 0 442.531 4.738 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036161784 568967828 /nfs/dbraw/zinc/96/78/28/568967828.db2.gz PZQYSCQOSBHVBA-VWLOTQADSA-N 0 0 429.545 4.976 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccccc3F)C2=O)cc1 ZINC000036164386 568968022 /nfs/dbraw/zinc/96/80/22/568968022.db2.gz RIKUETABEUZTBS-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN Cc1ccccc1C(=O)N1CCS[C@]12c1ccccc1N(Cc1cccc(F)c1)C2=O ZINC000036164585 568968061 /nfs/dbraw/zinc/96/80/61/568968061.db2.gz YSIZVJFBNKGYKS-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN O=C(c1ccccc1)N1CCS[C@]12c1cc(F)ccc1N(Cc1cccc(F)c1)C2=O ZINC000036165358 568968202 /nfs/dbraw/zinc/96/82/02/568968202.db2.gz SYZBTDIBNRUUBX-DEOSSOPVSA-N 0 0 436.483 4.554 50 0 IJAARN O=C(C1CC1)N1CCS[C@@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165739 568968309 /nfs/dbraw/zinc/96/83/09/568968309.db2.gz RQZWBZNUOWPWOE-OAQYLSRUSA-N 0 0 433.360 4.678 50 0 IJAARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccccc1)C(=O)N2Cc1ccc(C)cc1 ZINC000036166037 568968614 /nfs/dbraw/zinc/96/86/14/568968614.db2.gz QLIJRJQCVLLLSV-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000006740617 568970237 /nfs/dbraw/zinc/97/02/37/568970237.db2.gz UBXCJKDKRWNFJN-QFIPXVFZSA-N 0 0 426.488 4.541 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064848299 568971639 /nfs/dbraw/zinc/97/16/39/568971639.db2.gz AOQWRNHPNHJXBW-UHFFFAOYSA-N 0 0 437.927 4.705 50 0 biogenic IJAARN Cc1nc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2n(Cc2ccccc2)c1=O ZINC000064859326 568972536 /nfs/dbraw/zinc/97/25/36/568972536.db2.gz SUELHAPLKARSPV-IBGZPJMESA-N 0 0 425.532 4.504 50 0 IJAARN CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000064867223 568974995 /nfs/dbraw/zinc/97/49/95/568974995.db2.gz SSRSNOYJZQIRHK-UHFFFAOYSA-N 0 0 440.565 4.940 50 0 IJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)c2)c1C ZINC000064867322 568975181 /nfs/dbraw/zinc/97/51/81/568975181.db2.gz SZLVBHQTLPEXHQ-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2cc(OC)cc(OC)c2)CC3)cc1 ZINC000064868030 568975553 /nfs/dbraw/zinc/97/55/53/568975553.db2.gz QRSPRXHBJBTAQY-UHFFFAOYSA-N 0 0 439.537 4.816 50 0 IJAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)NCc2ccc(F)cc2)=Nc2ccccc2N1 ZINC000064869923 568976555 /nfs/dbraw/zinc/97/65/55/568976555.db2.gz NXMBOXQBTYPBGN-HNNXBMFYSA-N 0 0 441.528 4.556 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c1 ZINC000064873060 568978266 /nfs/dbraw/zinc/97/82/66/568978266.db2.gz FJFOWCHBOXUJCI-LJQANCHMSA-N 0 0 430.552 4.554 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1 ZINC000064873451 568978451 /nfs/dbraw/zinc/97/84/51/568978451.db2.gz ZZJRZFYWRLCYGO-UHFFFAOYSA-N 0 0 429.451 4.511 50 0 IJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000064888030 568979196 /nfs/dbraw/zinc/97/91/96/568979196.db2.gz LZUGHEAHKIIBAO-UHFFFAOYSA-N 0 0 443.931 4.783 50 0 IJAARN O=S(=O)(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000064888067 568979296 /nfs/dbraw/zinc/97/92/96/568979296.db2.gz SSNUWABEQKFMTB-UHFFFAOYSA-N 0 0 449.551 4.700 50 0 IJAARN O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000064889482 568980995 /nfs/dbraw/zinc/98/09/95/568980995.db2.gz FERXSIARVMLZNB-FMIVXFBMSA-N 0 0 434.927 4.629 50 0 IJAARN Cc1nc2cc(-c3noc(-c4cc5ccccc5oc4=O)n3)ccc2n(C2CCCC2)c1=O ZINC000064890478 568981363 /nfs/dbraw/zinc/98/13/63/568981363.db2.gz JUVIRIPHJACXAP-UHFFFAOYSA-N 0 0 440.459 4.643 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2cc(OC)cc(OC)c2)c2ccc(Cl)cc2)cc1 ZINC000036247404 568982256 /nfs/dbraw/zinc/98/22/56/568982256.db2.gz YUWNWDVYLJPYDY-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1cc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 ZINC000036248347 568982541 /nfs/dbraw/zinc/98/25/41/568982541.db2.gz AOYBHACTSFGRKJ-UHFFFAOYSA-N 0 0 447.503 4.994 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccccc1C ZINC000036249397 568983218 /nfs/dbraw/zinc/98/32/18/568983218.db2.gz YEDZRWVPYWYGOV-HXUWFJFHSA-N 0 0 433.552 4.928 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928960 568987299 /nfs/dbraw/zinc/98/72/99/568987299.db2.gz UNHLANQMVWCGGY-KNQAVFIVSA-N 0 0 432.543 4.637 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929110 568987408 /nfs/dbraw/zinc/98/74/08/568987408.db2.gz KISKTJIRMMMABQ-QFIPXVFZSA-N 0 0 432.543 4.939 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000064929885 568988345 /nfs/dbraw/zinc/98/83/45/568988345.db2.gz MRWNYDLDBCSENO-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN O=C(Nc1cccc(F)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2cc(F)ccc2F)s1 ZINC000064930398 568988876 /nfs/dbraw/zinc/98/88/76/568988876.db2.gz OJGXEAASFRFCIY-INIZCTEOSA-N 0 0 447.442 4.577 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930673 568989074 /nfs/dbraw/zinc/98/90/74/568989074.db2.gz ZCMZELXTBDGKTO-INIZCTEOSA-N 0 0 427.917 4.813 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930814 568989294 /nfs/dbraw/zinc/98/92/94/568989294.db2.gz PSXXHYCLWONOIS-MRXNPFEDSA-N 0 0 447.442 4.577 50 0 IJAARN COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cc2OC)cc1 ZINC000006798094 568989861 /nfs/dbraw/zinc/98/98/61/568989861.db2.gz QKGTXPAFJXVLFE-STZFKDTASA-N 0 0 443.455 4.576 50 0 IJAARN COc1ccc(NC(=O)CSc2ccc(NCc3ccc(C)cc3)nn2)cc1Cl ZINC000064944820 568993344 /nfs/dbraw/zinc/99/33/44/568993344.db2.gz DGQSYMICSCSWDQ-UHFFFAOYSA-N 0 0 428.945 4.790 50 0 IJAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccccc4Br)cs3)c2N)cc1 ZINC000064948683 568994507 /nfs/dbraw/zinc/99/45/07/568994507.db2.gz VHHISZOVCIQHLU-UHFFFAOYSA-N 0 0 442.342 4.801 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(=O)CC(C)C ZINC000036312294 568997636 /nfs/dbraw/zinc/99/76/36/568997636.db2.gz KWANSTICFCNRDA-UHFFFAOYSA-N 0 0 444.595 4.653 50 0 IJAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(OC)c(OC)c4)cc32)c1 ZINC000064955755 568998764 /nfs/dbraw/zinc/99/87/64/568998764.db2.gz QPSLYECXTRGEOQ-QGZVFWFLSA-N 0 0 445.519 4.601 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1C ZINC000064960751 569000450 /nfs/dbraw/zinc/00/04/50/569000450.db2.gz ANNYTXJIDKJPSG-UHFFFAOYSA-N 0 0 431.945 4.575 50 0 IJAARN COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccc(Cl)cc3)oc2C)c1C ZINC000064967432 569001976 /nfs/dbraw/zinc/00/19/76/569001976.db2.gz SMRCGWRIPBPOJK-UHFFFAOYSA-N 0 0 437.887 4.513 50 0 IJAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000064972212 569076926 /nfs/dbraw/zinc/07/69/26/569076926.db2.gz QGYDWSDALITZLH-VWLOTQADSA-N 0 0 448.588 4.873 50 0 IJAARN CCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)c(C)o2)cc1 ZINC000064977468 569077180 /nfs/dbraw/zinc/07/71/80/569077180.db2.gz RQSNRCWCCUPUEI-UHFFFAOYSA-N 0 0 426.476 4.573 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2)c(OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976774 569077280 /nfs/dbraw/zinc/07/72/80/569077280.db2.gz QPILVIDUMBKZKE-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN COc1cc2c(C(=O)Oc3ccc(F)cc3)cn(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000064977177 569077490 /nfs/dbraw/zinc/07/74/90/569077490.db2.gz JFDOVUPFNCLEQU-UHFFFAOYSA-N 0 0 433.435 4.675 50 0 IJAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)c4ccccc4Br)ccc32)cc1 ZINC000064978079 569077669 /nfs/dbraw/zinc/07/76/69/569077669.db2.gz PWJBOLXVGRKRGD-UHFFFAOYSA-N 0 0 449.348 4.890 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3cccc(OC)c3)cc2Sc2ccccc2C1=O ZINC000064979845 569078234 /nfs/dbraw/zinc/07/82/34/569078234.db2.gz ICMDYPHTRUBEIW-UHFFFAOYSA-N 0 0 448.544 4.634 50 0 IJAARN COc1ccccc1C1=NN(C(=O)CN(C)Cc2ccccc2)[C@@H](c2cccc(F)c2)C1 ZINC000036344840 569080483 /nfs/dbraw/zinc/08/04/83/569080483.db2.gz ASRHIUIOSQFFIJ-XMMPIXPASA-N 0 0 431.511 4.644 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccc(Cl)cc4)ccc3C[C@H]2C)cc1 ZINC000064990128 569083136 /nfs/dbraw/zinc/08/31/36/569083136.db2.gz XXFGKRAVCQXPKT-MRXNPFEDSA-N 0 0 434.923 4.870 50 0 IJAARN CCOc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000064990558 569083357 /nfs/dbraw/zinc/08/33/57/569083357.db2.gz FQKSYMRNYQMSNV-GOSISDBHSA-N 0 0 429.520 4.998 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c(OC)c1 ZINC000064990897 569083471 /nfs/dbraw/zinc/08/34/71/569083471.db2.gz FQUNGTRPSUZQBR-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1OC ZINC000064990837 569083474 /nfs/dbraw/zinc/08/34/74/569083474.db2.gz NBHYWVHPMQZLHI-UHFFFAOYSA-N 0 0 445.519 4.537 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1c2c(cn(-c3ccc(C)cc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000394 569085915 /nfs/dbraw/zinc/08/59/15/569085915.db2.gz BTHSTPPKJSFWRK-UHFFFAOYSA-N 0 0 444.531 4.870 50 0 IJAARN CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1)C1CCCCC1 ZINC000064999615 569086169 /nfs/dbraw/zinc/08/61/69/569086169.db2.gz DCLYBXQWXTVOJA-UHFFFAOYSA-N 0 0 446.638 4.994 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(OC)c(OC)c2)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000036360217 569086291 /nfs/dbraw/zinc/08/62/91/569086291.db2.gz JBKWMWWADCKOAX-GOSISDBHSA-N 0 0 440.883 4.531 50 0 IJAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3)c1ccc(OCC)cc1 ZINC000006841074 569086535 /nfs/dbraw/zinc/08/65/35/569086535.db2.gz WMLWFJHRZYYKBV-UHFFFAOYSA-N 0 0 425.554 4.558 50 0 IJAARN CCCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005778 569087117 /nfs/dbraw/zinc/08/71/17/569087117.db2.gz JILYPMAWRPWVBT-SFHVURJKSA-N 0 0 433.552 4.899 50 0 IJAARN Cc1ccccc1CNC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1 ZINC000065005916 569087278 /nfs/dbraw/zinc/08/72/78/569087278.db2.gz GBOFBOMDSIELGB-UHFFFAOYSA-N 0 0 431.536 4.572 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065010913 569087736 /nfs/dbraw/zinc/08/77/36/569087736.db2.gz MKMRJVIPKHSPNZ-UHFFFAOYSA-N 0 0 432.586 4.595 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023228 569089225 /nfs/dbraw/zinc/08/92/25/569089225.db2.gz VUYJTKBCUGRRQV-NRFANRHFSA-N 0 0 448.542 4.604 50 0 IJAARN CC(C)c1ccc(-c2ccnc3c(C(=O)N4CCN(c5ccc(F)cc5)CC4)cnn32)cc1 ZINC000065026680 569089896 /nfs/dbraw/zinc/08/98/96/569089896.db2.gz WICUFHLTJSTICV-UHFFFAOYSA-N 0 0 443.526 4.621 50 0 IJAARN CCCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccc(Cl)c3)cc2)on1 ZINC000065027365 569090237 /nfs/dbraw/zinc/09/02/37/569090237.db2.gz BNAXBOSMFZIVPC-UHFFFAOYSA-N 0 0 427.888 4.689 50 0 IJAARN COc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCCC3)n2)cc1 ZINC000065025059 569090427 /nfs/dbraw/zinc/09/04/27/569090427.db2.gz NBARYCAGSMFZFI-UHFFFAOYSA-N 0 0 430.508 4.695 50 0 IJAARN CC(C)CNC(=O)c1cc(COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)on1 ZINC000065027383 569090763 /nfs/dbraw/zinc/09/07/63/569090763.db2.gz YPEXIJJVCUFVMM-UHFFFAOYSA-N 0 0 427.888 4.545 50 0 IJAARN O=C(Nc1ccc(Br)cc1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000065029807 569091124 /nfs/dbraw/zinc/09/11/24/569091124.db2.gz XZBBPXNTMREVNA-UHFFFAOYSA-N 0 0 445.292 4.617 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c(OC)c1 ZINC000065031513 569091435 /nfs/dbraw/zinc/09/14/35/569091435.db2.gz VSDJARLVKZKVGC-MRXNPFEDSA-N 0 0 429.476 4.720 50 0 IJAARN CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)s1 ZINC000006860942 569091862 /nfs/dbraw/zinc/09/18/62/569091862.db2.gz ZWNPULSDNCWLSE-UHFFFAOYSA-N 0 0 442.614 4.519 50 0 IJAARN O=C(CN1CCc2[nH]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc(F)c(Cl)c1 ZINC000065035000 569092501 /nfs/dbraw/zinc/09/25/01/569092501.db2.gz UUMPXOWBBUGXBK-UHFFFAOYSA-N 0 0 438.261 4.522 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000036383517 569092597 /nfs/dbraw/zinc/09/25/97/569092597.db2.gz LWKDJXLYMJUPMP-HSZRJFAPSA-N 0 0 429.545 4.611 50 0 IJAARN O=C1C[C@H](c2noc(-c3cccc(OC(F)(F)F)c3)n2)CN1c1ccc(F)c(Cl)c1 ZINC000169755196 569093475 /nfs/dbraw/zinc/09/34/75/569093475.db2.gz IEJCHJXQEZMAEC-NSHDSACASA-N 0 0 441.768 4.948 50 0 IJAARN O=C(N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1cccc(Br)c1 ZINC000169755703 569093550 /nfs/dbraw/zinc/09/35/50/569093550.db2.gz XQKQKNSSTZWMJO-KRWDZBQOSA-N 0 0 445.748 4.501 50 0 IJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCOC(C)C)[C@@H]1c1cccs1 ZINC000006875887 569095265 /nfs/dbraw/zinc/09/52/65/569095265.db2.gz VZCCDIDMWSEYKB-VXKWHMMOSA-N 0 0 428.598 4.616 50 0 IJAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCCc4ccccc4)cc3)cn2)cc1 ZINC000065057706 569095276 /nfs/dbraw/zinc/09/52/76/569095276.db2.gz BAVUJZCRWSFKKG-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cccc(Cl)c3C)C2)c1 ZINC000065058837 569095649 /nfs/dbraw/zinc/09/56/49/569095649.db2.gz QHOPLBHNLOGNAL-HSZRJFAPSA-N 0 0 429.948 4.607 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(C)cc2)C1 ZINC000065059032 569095897 /nfs/dbraw/zinc/09/58/97/569095897.db2.gz ARFQZWDYTWNROT-HSZRJFAPSA-N 0 0 429.948 4.607 50 0 IJAARN CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCC(=Cc4cccc(F)c4)CC3)cc2)c1C ZINC000036396793 569099179 /nfs/dbraw/zinc/09/91/79/569099179.db2.gz CBWMSVPCPHXFOC-UHFFFAOYSA-N 0 0 447.510 4.816 50 0 IJAARN CSc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000065074898 569099334 /nfs/dbraw/zinc/09/93/34/569099334.db2.gz KJZFBJGDKXVZBU-SANMLTNESA-N 0 0 430.573 4.995 50 0 IJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nnn4CCC(=O)N3CCCCCC3)no2)cc1C ZINC000065076129 569099981 /nfs/dbraw/zinc/09/99/81/569099981.db2.gz DLKREQDSNGHORX-UHFFFAOYSA-N 0 0 444.539 4.558 50 0 IJAARN COc1ccccc1-c1nc(C2CCN(C(=O)Cc3cccc4ccccc43)CC2)no1 ZINC000065076925 569100417 /nfs/dbraw/zinc/10/04/17/569100417.db2.gz KAVITOUDVPKFIJ-UHFFFAOYSA-N 0 0 427.504 4.847 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccccc4Cl)csc3n2)cc1OC ZINC000065079575 569100998 /nfs/dbraw/zinc/10/09/98/569100998.db2.gz ITQDIRKFGLDUKI-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN O=C(NCC1CCOCC1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000169772711 569101613 /nfs/dbraw/zinc/10/16/13/569101613.db2.gz ZCTUGNZMYNHNNM-XMMPIXPASA-N 0 0 438.612 4.804 50 0 IJAARN CCCOc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2ccncc2)cc1 ZINC000065082909 569102560 /nfs/dbraw/zinc/10/25/60/569102560.db2.gz VEIAGFTWPFYROT-UHFFFAOYSA-N 0 0 441.535 4.665 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000065085431 569102859 /nfs/dbraw/zinc/10/28/59/569102859.db2.gz QQASODUFFOTVOZ-UHFFFAOYSA-N 0 0 449.937 4.663 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cn(C)nc1-c1ccccc1 ZINC000065099428 569105215 /nfs/dbraw/zinc/10/52/15/569105215.db2.gz SYKHBIKZKRCZJO-UHFFFAOYSA-N 0 0 446.580 4.713 50 0 IJAARN COc1cccc(NC(=O)C2CCN(c3nccnc3Sc3cccc(C)c3)CC2)c1 ZINC000065102690 569106081 /nfs/dbraw/zinc/10/60/81/569106081.db2.gz AHVATLSWMOMIFL-UHFFFAOYSA-N 0 0 434.565 4.800 50 0 IJAARN Cc1ccc(-c2noc(-c3nn(CC(=O)N4CCc5ccccc5C4)c4ccccc43)n2)cc1 ZINC000065111279 569106304 /nfs/dbraw/zinc/10/63/04/569106304.db2.gz ZISKPSBVMPTGHK-UHFFFAOYSA-N 0 0 449.514 4.647 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)c1 ZINC000065114596 569106579 /nfs/dbraw/zinc/10/65/79/569106579.db2.gz UXAUXRVACFJNGT-INIZCTEOSA-N 0 0 432.524 4.731 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c1 ZINC000065115818 569106855 /nfs/dbraw/zinc/10/68/55/569106855.db2.gz LSZZAZGSCLBGQR-UHFFFAOYSA-N 0 0 433.917 4.679 50 0 IJAARN Cc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)no2)c1 ZINC000065112015 569107896 /nfs/dbraw/zinc/10/78/96/569107896.db2.gz NEJQMNGTWXGPDN-UHFFFAOYSA-N 0 0 439.581 4.812 50 0 IJAARN CCCCNC(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000065130910 569109313 /nfs/dbraw/zinc/10/93/13/569109313.db2.gz YXSNBCNHZRYEIQ-UHFFFAOYSA-N 0 0 439.947 4.585 50 0 IJAARN COc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC ZINC000065133970 569110052 /nfs/dbraw/zinc/11/00/52/569110052.db2.gz SEWVVZZTZGNMMI-UHFFFAOYSA-N 0 0 447.413 4.506 50 0 IJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc(F)c(Cl)c1 ZINC000065136710 569110282 /nfs/dbraw/zinc/11/02/82/569110282.db2.gz OCEKNJBCIIZEOL-HNNXBMFYSA-N 0 0 435.902 4.959 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065154295 569112184 /nfs/dbraw/zinc/11/21/84/569112184.db2.gz NXGWHABXQBXXFH-UHFFFAOYSA-N 0 0 428.492 4.691 50 0 IJAARN COc1ccc(NC(=O)c2csc(-c3ccc(N4CCSCC4)nc3)n2)cc1Cl ZINC000065165664 569113066 /nfs/dbraw/zinc/11/30/66/569113066.db2.gz PNNZKGDLKHNTOB-UHFFFAOYSA-N 0 0 446.985 4.673 50 0 IJAARN O=C(CC1CCCCC1)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178450 569114336 /nfs/dbraw/zinc/11/43/36/569114336.db2.gz YGPXRSVUOHJIPZ-QFIPXVFZSA-N 0 0 426.601 4.901 50 0 IJAARN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(F)cc1Br ZINC000065185782 569114596 /nfs/dbraw/zinc/11/45/96/569114596.db2.gz YBLNQQFSKKKPCI-UHFFFAOYSA-N 0 0 449.305 4.641 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc2)CC1 ZINC000065179022 569114613 /nfs/dbraw/zinc/11/46/13/569114613.db2.gz NEGICTTZQOFKBD-FQEVSTJZSA-N 0 0 438.543 4.629 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)c4cccs4)C3)cc2)CC1 ZINC000065179028 569114646 /nfs/dbraw/zinc/11/46/46/569114646.db2.gz PLUMKUNTOKKDRQ-IBGZPJMESA-N 0 0 426.582 4.551 50 0 IJAARN Cc1ccc(CNC(=O)CSc2ncccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065196085 569115599 /nfs/dbraw/zinc/11/55/99/569115599.db2.gz DTENYEUEPGEJCU-UHFFFAOYSA-N 0 0 434.496 4.655 50 0 IJAARN C[C@@H](NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1)c1ccc(F)cc1 ZINC000065228036 569117609 /nfs/dbraw/zinc/11/76/09/569117609.db2.gz XSDVKHNNWZSWFD-APWZRJJASA-N 0 0 449.530 4.632 50 0 IJAARN CCCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccccc3C)cc2C1=O ZINC000065241641 569118822 /nfs/dbraw/zinc/11/88/22/569118822.db2.gz GPNKELOOJNJSJH-UHFFFAOYSA-N 0 0 437.521 4.743 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3-n3cccn3)c12 ZINC000036616010 569122606 /nfs/dbraw/zinc/12/26/06/569122606.db2.gz VRLNPIFIHPADQN-UHFFFAOYSA-N 0 0 448.530 4.722 50 0 IJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NCCOc1ccccc1OC ZINC000036615904 569122612 /nfs/dbraw/zinc/12/26/12/569122612.db2.gz KJWHHNSLWIBMPK-UHFFFAOYSA-N 0 0 444.535 4.552 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c12 ZINC000036616143 569122765 /nfs/dbraw/zinc/12/27/65/569122765.db2.gz YJSZGFHQCNBLJM-HNNXBMFYSA-N 0 0 448.958 4.522 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C ZINC000036616135 569122769 /nfs/dbraw/zinc/12/27/69/569122769.db2.gz FZBYZZFUDVTPTI-UHFFFAOYSA-N 0 0 436.519 4.749 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)c3c(C)nn(C)c3n2)cc1 ZINC000036616931 569122894 /nfs/dbraw/zinc/12/28/94/569122894.db2.gz JDTCXCUHAFTWFX-UHFFFAOYSA-N 0 0 439.475 4.860 50 0 IJAARN Cc1c(-c2ccc(C)cc2)nn(CC(=O)N(C)Cc2ccn(C)n2)c1-c1ccc(C)cc1 ZINC000036611633 569123575 /nfs/dbraw/zinc/12/35/75/569123575.db2.gz NGEODKQNISNTLQ-UHFFFAOYSA-N 0 0 427.552 4.534 50 0 IJAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 ZINC000036613274 569123684 /nfs/dbraw/zinc/12/36/84/569123684.db2.gz RYUJMLDJYASESM-UHFFFAOYSA-N 0 0 440.503 4.689 50 0 IJAARN CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C)c1ccc(OC)cc1 ZINC000036613398 569123844 /nfs/dbraw/zinc/12/38/44/569123844.db2.gz WTLFBAMXHBUVSN-QFIPXVFZSA-N 0 0 430.508 4.534 50 0 IJAARN CCn1cc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)c(C)n1 ZINC000036613344 569123855 /nfs/dbraw/zinc/12/38/55/569123855.db2.gz DXCWLRWXPNLLRZ-MRXNPFEDSA-N 0 0 442.567 4.681 50 0 IJAARN O=S(=O)(NC[C@@H](Nc1ccc(F)c(F)c1)c1ccccc1)c1ccc(Cl)s1 ZINC000013131878 569125339 /nfs/dbraw/zinc/12/53/39/569125339.db2.gz NALKSBJIICUNRW-MRXNPFEDSA-N 0 0 428.913 4.811 50 0 IJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCC1(Cc2nnc3ccccn32)CCCCC1 ZINC000524735588 569128167 /nfs/dbraw/zinc/12/81/67/569128167.db2.gz LXNYAZJDHZICMO-NRFANRHFSA-N 0 0 447.608 4.881 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)N[C@@H](C)c3ccc(C)cc3)sc12 ZINC000065294148 569131282 /nfs/dbraw/zinc/13/12/82/569131282.db2.gz YXOBSJQYEBHWKP-KRWDZBQOSA-N 0 0 433.581 4.721 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)N[C@@H](C)c3ccc(F)cc3)sc12 ZINC000065294151 569131285 /nfs/dbraw/zinc/13/12/85/569131285.db2.gz JYTSAYHPKCWBKO-HNNXBMFYSA-N 0 0 437.544 4.552 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)CC4CCCC4)CC3)sc12 ZINC000065299629 569132122 /nfs/dbraw/zinc/13/21/22/569132122.db2.gz FESTVUNHXUUSGT-UHFFFAOYSA-N 0 0 441.576 4.595 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCCN(C(=O)c4ccccc4F)CC3)sc12 ZINC000065300359 569132267 /nfs/dbraw/zinc/13/22/67/569132267.db2.gz YMCLEXHCTYVNMX-UHFFFAOYSA-N 0 0 449.555 4.590 50 0 IJAARN CCc1nc2csc(C)c2c(N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)n1 ZINC000065301391 569132285 /nfs/dbraw/zinc/13/22/85/569132285.db2.gz XFCKIAPNMLFBBI-UHFFFAOYSA-N 0 0 428.989 4.748 50 0 IJAARN Cc1ccc(C(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)c(C)c1 ZINC000036685850 569132803 /nfs/dbraw/zinc/13/28/03/569132803.db2.gz VWRJFGSCBIWHQI-UHFFFAOYSA-N 0 0 448.548 4.603 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)NCc4ccc(Cl)cc4)sc32)cc1 ZINC000065306748 569133552 /nfs/dbraw/zinc/13/35/52/569133552.db2.gz RXOFYUZOLXYNHE-UHFFFAOYSA-N 0 0 440.956 4.745 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000065320747 569136269 /nfs/dbraw/zinc/13/62/69/569136269.db2.gz XFDUELTVWBBVIJ-GOSISDBHSA-N 0 0 431.945 4.841 50 0 IJAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(F)c3)no2)c1C ZINC000065320871 569136345 /nfs/dbraw/zinc/13/63/45/569136345.db2.gz JDUGWSUJHPTKDN-LJQANCHMSA-N 0 0 429.517 4.635 50 0 IJAARN COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000065322585 569136811 /nfs/dbraw/zinc/13/68/11/569136811.db2.gz WCIWOKBRMRKXKS-UHFFFAOYSA-N 0 0 439.475 4.672 50 0 IJAARN CSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(Cl)cc1 ZINC000065329828 569136876 /nfs/dbraw/zinc/13/68/76/569136876.db2.gz AKLXPWZQUYTWFZ-UHFFFAOYSA-N 0 0 426.973 4.606 50 0 IJAARN O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000065491380 569138685 /nfs/dbraw/zinc/13/86/85/569138685.db2.gz GBXLZKNMZYEMEQ-CYBMUJFWSA-N 0 0 432.343 4.663 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000170609670 569144797 /nfs/dbraw/zinc/14/47/97/569144797.db2.gz KFFSCMFDNHWOML-FPOVZHCZSA-N 0 0 445.350 4.918 50 0 IJAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCCc2ccc(OC)cc2)cc1 ZINC000037279381 569145506 /nfs/dbraw/zinc/14/55/06/569145506.db2.gz RJCFJIHCIJGARZ-UHFFFAOYSA-N 0 0 444.575 4.848 50 0 IJAARN O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1ccc(SC(F)F)cc1 ZINC000170613173 569146133 /nfs/dbraw/zinc/14/61/33/569146133.db2.gz NJVVWXAGOUMHHH-UHFFFAOYSA-N 0 0 430.480 4.614 50 0 IJAARN COc1cc(OC)cc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(C)c3)C2)c1 ZINC000170615199 569146609 /nfs/dbraw/zinc/14/66/09/569146609.db2.gz CWLYWHIVUNVCAX-XMMPIXPASA-N 0 0 436.533 4.552 50 0 IJAARN COc1cc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3C(=O)C(C)C)cc2c(OC)c1 ZINC000170620025 569147523 /nfs/dbraw/zinc/14/75/23/569147523.db2.gz ZZGBLYZGFNDZNP-SFHVURJKSA-N 0 0 427.888 4.832 50 0 IJAARN O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000170619262 569147593 /nfs/dbraw/zinc/14/75/93/569147593.db2.gz MXUOGAAPIQLIPV-FQEVSTJZSA-N 0 0 429.442 4.559 50 0 IJAARN COc1ccc(NC(=O)c2cc3cc(Br)cc4c3n(c2=O)CCC4)cc1Cl ZINC000170622753 569147995 /nfs/dbraw/zinc/14/79/95/569147995.db2.gz LSOJSAYKSCXGPW-UHFFFAOYSA-N 0 0 447.716 4.625 50 0 IJAARN O=c1[nH]c2c(s1)[C@H]1c3cc(Br)ccc3OC(=O)[C@@H]1[C@@H](c1ccccc1)S2 ZINC000170623188 569148224 /nfs/dbraw/zinc/14/82/24/569148224.db2.gz WZXSHYSANSVRRC-SOUVJXGZSA-N 0 0 446.347 4.713 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000170624980 569148268 /nfs/dbraw/zinc/14/82/68/569148268.db2.gz QXQSILRRYDSCDE-SFHVURJKSA-N 0 0 444.318 4.834 50 0 IJAARN COC(=O)[C@H](c1ccc(OC)cc1)[C@@H]1C=C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000037341449 569149045 /nfs/dbraw/zinc/14/90/45/569149045.db2.gz IBTLBXPTDZXHIU-LXGCGDOSSA-N 0 0 434.319 4.633 50 0 IJAARN O=C(CSc1nccn1-c1cccc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000009870595 569149478 /nfs/dbraw/zinc/14/94/78/569149478.db2.gz CNFMSCPYFWOFMI-SFHVURJKSA-N 0 0 436.468 4.667 50 0 IJAARN Cc1nc(Cc2nnc(SCC(=O)Nc3cccc(-c4csc(C)n4)c3)o2)cs1 ZINC000009882569 569149626 /nfs/dbraw/zinc/14/96/26/569149626.db2.gz LISFIQTTWGRRFX-UHFFFAOYSA-N 0 0 443.579 4.588 50 0 IJAARN CCn1c(SCC(=O)OCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccco1 ZINC000009883149 569149858 /nfs/dbraw/zinc/14/98/58/569149858.db2.gz YGGYGZCQZBGVIU-UHFFFAOYSA-N 0 0 442.928 4.904 50 0 IJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000009883228 569149966 /nfs/dbraw/zinc/14/99/66/569149966.db2.gz CADAGOBMNTVVDM-HNNXBMFYSA-N 0 0 429.851 4.761 50 0 IJAARN CCN(CC)C(=O)[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)c1ccccc1 ZINC000009910256 569150417 /nfs/dbraw/zinc/15/04/17/569150417.db2.gz CYROGPKMPVAZQP-KRWDZBQOSA-N 0 0 445.386 4.936 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000010024371 569151501 /nfs/dbraw/zinc/15/15/01/569151501.db2.gz DVQUZPUYDAEWIF-HOTGVXAUSA-N 0 0 441.984 4.921 50 0 IJAARN COc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)ccc2OC)cc1 ZINC000010027864 569151786 /nfs/dbraw/zinc/15/17/86/569151786.db2.gz NEYJBQCHPXWMHX-RXVVDRJESA-N 0 0 444.531 4.919 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000010058885 569151940 /nfs/dbraw/zinc/15/19/40/569151940.db2.gz XXOWTJUCJYFQOR-HSZRJFAPSA-N 0 0 444.369 4.982 50 0 IJAARN Cc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000010218913 569153628 /nfs/dbraw/zinc/15/36/28/569153628.db2.gz KHBYTHWTDOSMPL-UHFFFAOYSA-N 0 0 439.508 4.558 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)ccc2s1 ZINC000071795545 569154323 /nfs/dbraw/zinc/15/43/23/569154323.db2.gz LDLBFVUWZQLSLG-SFHVURJKSA-N 0 0 428.554 4.588 50 0 IJAARN NC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)ccc1F ZINC000071823408 569154631 /nfs/dbraw/zinc/15/46/31/569154631.db2.gz OGJWLGOFCFKFIP-UHFFFAOYSA-N 0 0 447.235 4.871 50 0 IJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Br)cc1 ZINC000010499826 569154765 /nfs/dbraw/zinc/15/47/65/569154765.db2.gz KCTVOJAIJWABEM-UHFFFAOYSA-N 0 0 444.354 4.662 50 0 IJAARN O=C(CCC(=O)OCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2cc[nH]c2c1 ZINC000013577210 569155852 /nfs/dbraw/zinc/15/58/52/569155852.db2.gz VPWHHVUVSFRHIN-UHFFFAOYSA-N 0 0 438.483 4.884 50 0 IJAARN O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc(Cl)c1 ZINC000013579684 569156273 /nfs/dbraw/zinc/15/62/73/569156273.db2.gz PPBCNRTUGHUKKK-RTBURBONSA-N 0 0 426.925 4.526 50 0 IJAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)Nc4cc(Cl)ccc4OC)c3)cn2n1 ZINC000013711221 569156812 /nfs/dbraw/zinc/15/68/12/569156812.db2.gz BBPGXCJKVMQVNE-UHFFFAOYSA-N 0 0 441.850 4.850 50 0 IJAARN CCCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000016843293 569163539 /nfs/dbraw/zinc/16/35/39/569163539.db2.gz PZUYRIJBJMWAKS-UHFFFAOYSA-N 0 0 442.566 4.999 50 0 IJAARN COc1ccc(-c2cc(OCC(=O)Nc3cc(OC)cc(OC)c3)c3ccccc3n2)cc1 ZINC000016843068 569163586 /nfs/dbraw/zinc/16/35/86/569163586.db2.gz BFPZAMJQMXVZFC-UHFFFAOYSA-N 0 0 444.487 4.945 50 0 IJAARN O=C(Cc1cccs1)Nc1ccccc1NC(=O)CC1(C(F)(F)F)SCCS1 ZINC000089814136 569165139 /nfs/dbraw/zinc/16/51/39/569165139.db2.gz BTPQUQVXKGFSBT-UHFFFAOYSA-N 0 0 446.541 4.997 50 0 IJAARN Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000017010566 569170228 /nfs/dbraw/zinc/17/02/28/569170228.db2.gz BCECCKPFRNSBQQ-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c1 ZINC000017010957 569170350 /nfs/dbraw/zinc/17/03/50/569170350.db2.gz XVKSUQATYKXTQH-UHFFFAOYSA-N 0 0 436.581 4.942 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037356037 569171250 /nfs/dbraw/zinc/17/12/50/569171250.db2.gz YQNLCBYXGUFAFQ-OAHLLOKOSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)C[C@@H]2C)cc1 ZINC000037356064 569171268 /nfs/dbraw/zinc/17/12/68/569171268.db2.gz USOZWFBGVLOCRK-SFHVURJKSA-N 0 0 436.943 4.890 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)N(C)Cc3ccccc3)c3ccccc23)cc1 ZINC000017041664 569171481 /nfs/dbraw/zinc/17/14/81/569171481.db2.gz SDNUCWQEVLJFFP-UHFFFAOYSA-N 0 0 446.572 4.582 50 0 IJAARN Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)c3cccc(Cl)c3)[C@@H](C)C2)ncn1 ZINC000037356860 569173055 /nfs/dbraw/zinc/17/30/55/569173055.db2.gz HZIDBBRXERRUTB-INIZCTEOSA-N 0 0 440.906 4.721 50 0 IJAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000017096937 569173172 /nfs/dbraw/zinc/17/31/72/569173172.db2.gz OTKHUGMOVQLAAE-UHFFFAOYSA-N 0 0 430.504 4.978 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)C[C@H]2C)cc1 ZINC000037357323 569173907 /nfs/dbraw/zinc/17/39/07/569173907.db2.gz WTBNDQBRYXQEER-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1 ZINC000017135503 569174399 /nfs/dbraw/zinc/17/43/99/569174399.db2.gz RVGQABWGPYGOGN-UHFFFAOYSA-N 0 0 437.569 4.628 50 0 IJAARN Cc1ccc(C)c(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)c1 ZINC000002070428 569176956 /nfs/dbraw/zinc/17/69/56/569176956.db2.gz HYHXULGATFPAAU-LZYBPNLTSA-N 0 0 437.664 4.906 50 0 IJAARN CCN(C(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C)c1nc2ccccc2s1 ZINC000017275822 569176979 /nfs/dbraw/zinc/17/69/79/569176979.db2.gz BPOWEBDXSSDBRE-UHFFFAOYSA-N 0 0 437.521 4.566 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002097013 569179324 /nfs/dbraw/zinc/17/93/24/569179324.db2.gz JKSMWEKWIWVMGX-DEOSSOPVSA-N 0 0 441.483 4.604 50 0 biogenic IJAARN COCCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000037541774 569199811 /nfs/dbraw/zinc/19/98/11/569199811.db2.gz FWSJMMWMJZTLHE-UHFFFAOYSA-N 0 0 427.751 4.543 50 0 IJAARN CCCCCCN1CC(=O)N2[C@H](c3ccc(C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002107508 569181327 /nfs/dbraw/zinc/18/13/27/569181327.db2.gz BVZKBNPYHCIANB-JYFHCDHNSA-N 0 0 429.564 4.742 50 0 biogenic IJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCc1ccccc1)nc2-c1ccccc1F ZINC000037360188 569181465 /nfs/dbraw/zinc/18/14/65/569181465.db2.gz AGZCJMPYUKROLK-UHFFFAOYSA-N 0 0 428.446 4.955 50 0 IJAARN C[C@H](SCCC(=O)Nc1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 ZINC000027189065 569184610 /nfs/dbraw/zinc/18/46/10/569184610.db2.gz PSKCTHHIMTWDIM-ZDUSSCGKSA-N 0 0 428.949 4.674 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)cc1 ZINC000002544811 569185866 /nfs/dbraw/zinc/18/58/66/569185866.db2.gz XZUWGHZQPINXEE-UHFFFAOYSA-N 0 0 444.560 4.742 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027245244 569187169 /nfs/dbraw/zinc/18/71/69/569187169.db2.gz KRWGZFNTSGFWCT-HNNXBMFYSA-N 0 0 441.890 4.933 50 0 IJAARN O=C1CN(Cc2ccccc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002149601 569187210 /nfs/dbraw/zinc/18/72/10/569187210.db2.gz KKIINULLBYYNGX-UIOOFZCWSA-N 0 0 449.554 4.638 50 0 biogenic IJAARN CN(C)c1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000252493587 569187872 /nfs/dbraw/zinc/18/78/72/569187872.db2.gz NDKJBGUFHZBNHI-QHCPKHFHSA-N 0 0 439.968 4.946 50 0 IJAARN CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccnc2)cc1 ZINC000008970440 569188002 /nfs/dbraw/zinc/18/80/02/569188002.db2.gz RJBJMZOIVADTJU-UHFFFAOYSA-N 0 0 428.521 4.897 50 0 IJAARN CC(C)(C)OC(=O)NCCCCCC(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002193237 569190736 /nfs/dbraw/zinc/19/07/36/569190736.db2.gz AYHTYZOIBBUHNO-UHFFFAOYSA-N 0 0 429.513 4.662 50 0 IJAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000037380772 569191872 /nfs/dbraw/zinc/19/18/72/569191872.db2.gz CTSGZTXXEMLLNA-QFIPXVFZSA-N 0 0 443.547 4.981 50 0 IJAARN CCCc1cc2c(cc1OC(=O)N(C)C)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000002204892 569192937 /nfs/dbraw/zinc/19/29/37/569192937.db2.gz GFJQOTQDLBOBRR-UHFFFAOYSA-N 0 0 437.492 4.943 50 0 IJAARN Cc1cccc(-n2c(SCc3ccc(C(=O)NC4CC4)cc3)nnc2-c2cccnc2)c1 ZINC000037398717 569194027 /nfs/dbraw/zinc/19/40/27/569194027.db2.gz LEXVULPPVGGGPI-UHFFFAOYSA-N 0 0 441.560 4.822 50 0 IJAARN O=C(C1CCC1)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400587 569194943 /nfs/dbraw/zinc/19/49/43/569194943.db2.gz HGLOOYIUGMBKAZ-UHFFFAOYSA-N 0 0 443.496 4.515 50 0 IJAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000037401178 569195145 /nfs/dbraw/zinc/19/51/45/569195145.db2.gz CLHNPFADTAVJRB-KRWDZBQOSA-N 0 0 448.585 4.572 50 0 IJAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)[C@@H](C)CC ZINC000037423849 569195573 /nfs/dbraw/zinc/19/55/73/569195573.db2.gz XWPKBXMHTPOBGY-AWEZNQCLSA-N 0 0 442.940 4.577 50 0 IJAARN COCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000037440077 569196479 /nfs/dbraw/zinc/19/64/79/569196479.db2.gz OEPFTPHFTRPUSU-MRXNPFEDSA-N 0 0 440.849 4.527 50 0 IJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C(=O)NC(C)(C)C)c1 ZINC000037441275 569196751 /nfs/dbraw/zinc/19/67/51/569196751.db2.gz GAKPYLLYPRGSRT-FQEVSTJZSA-N 0 0 429.948 4.852 50 0 IJAARN CC(C)CC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000037441641 569196880 /nfs/dbraw/zinc/19/68/80/569196880.db2.gz GDMMZCQMZQCRMM-IBGZPJMESA-N 0 0 428.916 4.637 50 0 IJAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000037526350 569199063 /nfs/dbraw/zinc/19/90/63/569199063.db2.gz KVJYQUZKPCSFSI-HSZRJFAPSA-N 0 0 448.611 4.561 50 0 IJAARN O=C(NCc1cccnc1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037543525 569199597 /nfs/dbraw/zinc/19/95/97/569199597.db2.gz PTSUICWCOCNIJC-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)N1CCSCC1 ZINC000037546907 569199780 /nfs/dbraw/zinc/19/97/80/569199780.db2.gz FLOHPEFIYVMQQG-UHFFFAOYSA-N 0 0 443.519 4.759 50 0 IJAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000037557725 569200675 /nfs/dbraw/zinc/20/06/75/569200675.db2.gz MTJUTWQAXWGWPR-AREMUKBSSA-N 0 0 442.559 4.680 50 0 IJAARN O=C(OCc1ccccc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580351 569201862 /nfs/dbraw/zinc/20/18/62/569201862.db2.gz MOHJXQMSWVMTNB-UHFFFAOYSA-N 0 0 448.498 4.703 50 0 IJAARN Cc1ccc([C@@H]2c3cc(OCC(=O)NCC4CC4)ccc3CCN2C(=O)C2CCCC2)cc1 ZINC000037601759 569202484 /nfs/dbraw/zinc/20/24/84/569202484.db2.gz VBVHADSVGYXAQR-HHHXNRCGSA-N 0 0 446.591 4.564 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NC(C)C)cc2[C@@H]1c1ccc(F)cc1 ZINC000037603555 569202663 /nfs/dbraw/zinc/20/26/63/569202663.db2.gz XTNZJXNZRQHVHC-BVZFJXPGSA-N 0 0 440.559 4.638 50 0 IJAARN CC(=O)N1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)CC[C@H]1c1ccc(F)c(C)c1 ZINC000037614078 569203083 /nfs/dbraw/zinc/20/30/83/569203083.db2.gz LPICTNCFCNYBHW-NQIIRXRSSA-N 0 0 436.449 4.769 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)c1 ZINC000002228946 569208282 /nfs/dbraw/zinc/20/82/82/569208282.db2.gz ZRPDCGJYXUUDPH-UHFFFAOYSA-N 0 0 438.578 4.919 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002229806 569208349 /nfs/dbraw/zinc/20/83/49/569208349.db2.gz NPFFYPOBAKCZHP-UHFFFAOYSA-N 0 0 429.451 4.608 50 0 IJAARN Cc1cccc(COc2ccc(Cl)cc2C=c2sc3nc4ccccc4n3c2=O)c1 ZINC000252669885 569209877 /nfs/dbraw/zinc/20/98/77/569209877.db2.gz IXPUVWGFJSBKII-UHFFFAOYSA-N 0 0 432.932 4.998 50 0 IJAARN COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nc(C)cs1 ZINC000002235272 569212148 /nfs/dbraw/zinc/21/21/48/569212148.db2.gz YHCJDMAPNOBGRK-SFHVURJKSA-N 0 0 438.892 4.970 50 0 IJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)C1c3ccccc3C2c2ccccc21 ZINC000003181375 569213304 /nfs/dbraw/zinc/21/33/04/569213304.db2.gz MQSJZSUDZTUUSB-LIKPIUCQSA-N 0 0 430.301 4.846 50 0 IJAARN COc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 ZINC000002240949 569213624 /nfs/dbraw/zinc/21/36/24/569213624.db2.gz NUHWTCIZTKBJLS-UHFFFAOYSA-N 0 0 425.794 4.989 50 0 IJAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002246772 569214518 /nfs/dbraw/zinc/21/45/18/569214518.db2.gz FVDZYHTXXYFFCC-UHFFFAOYSA-N 0 0 427.895 4.739 50 0 IJAARN CC(C)c1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002265008 569216147 /nfs/dbraw/zinc/21/61/47/569216147.db2.gz LTWIOJOKKOAJRT-RJRNSMGGSA-N 0 0 431.985 4.693 50 0 IJAARN CCOc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 ZINC000002265142 569216195 /nfs/dbraw/zinc/21/61/95/569216195.db2.gz BTNQCXJECNFPKL-UHFFFAOYSA-N 0 0 443.532 4.546 50 0 IJAARN CC1(C)Cc2nc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3cc2CO1 ZINC000002266008 569216286 /nfs/dbraw/zinc/21/62/86/569216286.db2.gz JZBASUXBJNEBPQ-UHFFFAOYSA-N 0 0 429.545 4.924 50 0 IJAARN O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Br)cc1 ZINC000002256904 569216965 /nfs/dbraw/zinc/21/69/65/569216965.db2.gz OHKWPIWCJAOECL-UHFFFAOYSA-N 0 0 448.320 4.855 50 0 IJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000002272004 569217658 /nfs/dbraw/zinc/21/76/58/569217658.db2.gz YWTUAILKEPUPIP-UHFFFAOYSA-N 0 0 440.594 4.757 50 0 IJAARN COC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002273121 569217809 /nfs/dbraw/zinc/21/78/09/569217809.db2.gz LHNDDWJDDYAMNC-NSHDSACASA-N 0 0 445.306 4.654 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000021537088 569257348 /nfs/dbraw/zinc/25/73/48/569257348.db2.gz JLOWGMKGTYZOEQ-UHFFFAOYSA-N 0 0 430.501 4.616 50 0 IJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000027523034 569262741 /nfs/dbraw/zinc/26/27/41/569262741.db2.gz FKWJDBOODXTEQH-UHFFFAOYSA-N 0 0 428.250 4.893 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](CO)c4ccccc4)c(=O)oc3c2C)c1C ZINC000253395309 569264570 /nfs/dbraw/zinc/26/45/70/569264570.db2.gz AJNVBFAVZZCMLM-JOCHJYFZSA-N 0 0 433.504 4.555 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)cc1O ZINC000253407228 569265480 /nfs/dbraw/zinc/26/54/80/569265480.db2.gz JQWMRLUPJRPTND-SFHVURJKSA-N 0 0 428.440 4.924 50 0 biogenic IJAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253413540 569265997 /nfs/dbraw/zinc/26/59/97/569265997.db2.gz VBGJIUSOTGNPAO-NRFANRHFSA-N 0 0 445.519 4.673 50 0 biogenic IJAARN COc1ccc([C@@H](NCc2ccc(NC(C)=O)cc2)C(F)(F)F)cc1Br ZINC000253421539 569266955 /nfs/dbraw/zinc/26/69/55/569266955.db2.gz XKHIVMYXASOKHJ-QGZVFWFLSA-N 0 0 431.252 4.809 50 0 IJAARN Cc1cccc(-n2c3nnc(SC(C)C)n3c3sc4c(c3c2=O)CC(C)(C)OC4)c1 ZINC000002313531 569273149 /nfs/dbraw/zinc/27/31/49/569273149.db2.gz HZXOXXUZWPCBPQ-UHFFFAOYSA-N 0 0 440.594 4.755 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1F ZINC000002324636 569274299 /nfs/dbraw/zinc/27/42/99/569274299.db2.gz JWQHSLCPBNIJMI-UHFFFAOYSA-N 0 0 442.541 4.750 50 0 IJAARN COc1ccc(OC)c(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002335548 569274781 /nfs/dbraw/zinc/27/47/81/569274781.db2.gz RBVHBAUCZGWOQO-UHFFFAOYSA-N 0 0 446.507 4.663 50 0 IJAARN Cc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000002338162 569274933 /nfs/dbraw/zinc/27/49/33/569274933.db2.gz BKHHOCRCZOTRDA-UHFFFAOYSA-N 0 0 436.512 4.738 50 0 IJAARN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000002348798 569282096 /nfs/dbraw/zinc/28/20/96/569282096.db2.gz MVXQDENMQVYYIK-HWBMXIPRSA-N 0 0 448.906 4.790 50 0 IJAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CNCSc1ccccc1 ZINC000514265612 569286115 /nfs/dbraw/zinc/28/61/15/569286115.db2.gz WLTGGQCCWIJOHV-UHFFFAOYSA-N 0 0 449.370 4.663 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 ZINC000002366889 569288490 /nfs/dbraw/zinc/28/84/90/569288490.db2.gz KONZPRLUTAPBKB-UHFFFAOYSA-N 0 0 448.935 4.951 50 0 IJAARN CC(C)CN1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21 ZINC000002377348 569289523 /nfs/dbraw/zinc/28/95/23/569289523.db2.gz AQIJNALZCFTJPM-UHFFFAOYSA-N 0 0 437.352 4.565 50 0 IJAARN COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SC/C=C/c1ccccc1)=N2 ZINC000008873483 569291731 /nfs/dbraw/zinc/29/17/31/569291731.db2.gz CDZDQXPZAMBJNI-MAIVGLDJSA-N 0 0 435.549 4.765 50 0 IJAARN O=C(NCc1ccccc1)c1noc(C(=O)NCc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000027755291 569296831 /nfs/dbraw/zinc/29/68/31/569296831.db2.gz VUPMXVJVORPUAM-UHFFFAOYSA-N 0 0 445.906 4.855 50 0 IJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 ZINC000002401858 569299604 /nfs/dbraw/zinc/29/96/04/569299604.db2.gz DDCQLQTYCYHWQM-LBPRGKRZSA-N 0 0 439.313 4.874 50 0 IJAARN COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2cc(Cl)ccc2O)cc1OC ZINC000002401798 569299650 /nfs/dbraw/zinc/29/96/50/569299650.db2.gz IEIPENLXEZMDDY-HXUWFJFHSA-N 0 0 439.939 4.944 50 0 IJAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000002403353 569299896 /nfs/dbraw/zinc/29/98/96/569299896.db2.gz WTFSLMGURCUTNM-UHFFFAOYSA-N 0 0 449.511 4.631 50 0 IJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002413147 569301039 /nfs/dbraw/zinc/30/10/39/569301039.db2.gz HBNJIGDHMOXAJO-HXUWFJFHSA-N 0 0 431.517 4.901 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1OC ZINC000002412837 569301158 /nfs/dbraw/zinc/30/11/58/569301158.db2.gz HBCUUUFBSMCLDQ-HXUWFJFHSA-N 0 0 448.500 4.633 50 0 IJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1OC ZINC000002427434 569302568 /nfs/dbraw/zinc/30/25/68/569302568.db2.gz AWVZZUFXXMSLOG-FQEVSTJZSA-N 0 0 448.500 4.715 50 0 IJAARN COc1ccc(Cn2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002427937 569302736 /nfs/dbraw/zinc/30/27/36/569302736.db2.gz GQMDQLGLERSCSM-UHFFFAOYSA-N 0 0 438.487 4.581 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000002444886 569304400 /nfs/dbraw/zinc/30/44/00/569304400.db2.gz TWWBCCXPAQIUMA-UHFFFAOYSA-N 0 0 430.320 4.853 50 0 IJAARN COc1ccc2c3c(c(=O)oc2c1OCC(=O)c1c(C)n(C)c2ccccc21)CCCC3 ZINC000002446878 569304489 /nfs/dbraw/zinc/30/44/89/569304489.db2.gz PEBDJBOFVWYRLC-UHFFFAOYSA-N 0 0 431.488 4.742 50 0 IJAARN Cc1cccc(OCCNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000012991254 569305952 /nfs/dbraw/zinc/30/59/52/569305952.db2.gz ILMBLRQPECPYNP-UHFFFAOYSA-N 0 0 438.524 4.674 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)NCCOc3ccccc3)c2c1 ZINC000013004704 569306261 /nfs/dbraw/zinc/30/62/61/569306261.db2.gz MPMBRSWGQQEZRH-UHFFFAOYSA-N 0 0 440.499 4.562 50 0 IJAARN Cc1cccc(C)c1NC(=O)CCCS[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013023886 569307243 /nfs/dbraw/zinc/30/72/43/569307243.db2.gz JWMGNEPDNVJUMK-KRWDZBQOSA-N 0 0 428.554 4.554 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12 ZINC000013042522 569308270 /nfs/dbraw/zinc/30/82/70/569308270.db2.gz WZDLYRLEWBZVBB-UHFFFAOYSA-N 0 0 434.452 4.942 50 0 IJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000013096148 569309428 /nfs/dbraw/zinc/30/94/28/569309428.db2.gz KHYPAJBTBSQLFV-OAHLLOKOSA-N 0 0 427.957 4.761 50 0 IJAARN Cc1cc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)ccc1Br ZINC000013114350 569310682 /nfs/dbraw/zinc/31/06/82/569310682.db2.gz NAHIGGZREMCFKL-UHFFFAOYSA-N 0 0 432.705 4.518 50 0 IJAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1C)c1ccccc1 ZINC000013114804 569310765 /nfs/dbraw/zinc/31/07/65/569310765.db2.gz FOXXKDQEQVSHRN-FQEVSTJZSA-N 0 0 434.521 4.946 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000013141276 569311801 /nfs/dbraw/zinc/31/18/01/569311801.db2.gz JWZYHWVZOBNUDO-UHFFFAOYSA-N 0 0 445.894 4.560 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2 ZINC000013355985 569313558 /nfs/dbraw/zinc/31/35/58/569313558.db2.gz ROFWRKXRVDVDJP-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000013355975 569313570 /nfs/dbraw/zinc/31/35/70/569313570.db2.gz RMTCTQSZRZXTRA-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN O=C(CCC1CCCC1)N1CCC(C(=O)NCCc2csc(-c3cccs3)n2)CC1 ZINC000013360134 569313989 /nfs/dbraw/zinc/31/39/89/569313989.db2.gz GGDVSNBMJGPVGI-UHFFFAOYSA-N 0 0 445.654 4.739 50 0 IJAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)N1CCN(Cc2ccccc2)CC1 ZINC000013369121 569314758 /nfs/dbraw/zinc/31/47/58/569314758.db2.gz DNMLGOXBSKSZQA-UHFFFAOYSA-N 0 0 444.966 4.701 50 0 IJAARN COc1cc2nc(SCc3ccc(F)cc3)n(Cc3ccco3)c(=N)c2cc1OC ZINC000013394810 569315323 /nfs/dbraw/zinc/31/53/23/569315323.db2.gz RQIKAWXUAWKDRA-UHFFFAOYSA-N 0 0 425.485 4.606 50 0 IJAARN COc1ccc2oc([C@@H](C)NC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)c(C)c2c1 ZINC000078605407 569316542 /nfs/dbraw/zinc/31/65/42/569316542.db2.gz GOYXUYISJTYMJY-SPLOXXLWSA-N 0 0 430.451 4.872 50 0 IJAARN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000328590609 569316924 /nfs/dbraw/zinc/31/69/24/569316924.db2.gz GTZAPNSSIDYSKH-QFIPXVFZSA-N 0 0 433.577 4.974 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)o2)cc1 ZINC000078870307 569319631 /nfs/dbraw/zinc/31/96/31/569319631.db2.gz XRLWGPLLTLEOKD-LJQANCHMSA-N 0 0 437.927 4.548 50 0 IJAARN CC1CN(C(=O)c2ccnc(Cl)c2)c2ccccc2N(C(=O)c2ccnc(Cl)c2)C1 ZINC000078899519 569320131 /nfs/dbraw/zinc/32/01/31/569320131.db2.gz BHQCISYFCBMOHC-UHFFFAOYSA-N 0 0 441.318 4.727 50 0 IJAARN CC(C)n1cnnc1-c1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000079055317 569323687 /nfs/dbraw/zinc/32/36/87/569323687.db2.gz AMENRVBWBNSDLB-UHFFFAOYSA-N 0 0 448.477 4.731 50 0 IJAARN Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000079491384 569331305 /nfs/dbraw/zinc/33/13/05/569331305.db2.gz KHJWFBYOXFUUSJ-UHFFFAOYSA-N 0 0 430.335 4.518 50 0 IJAARN O=C(CSc1nc2ccccc2nc1N1CCCCC1)NCCc1ccc(Cl)cc1 ZINC000020069460 569333288 /nfs/dbraw/zinc/33/32/88/569333288.db2.gz SZPLPOUFEOWSKO-UHFFFAOYSA-N 0 0 441.000 4.725 50 0 IJAARN COc1ccc(CCNC(=O)CSc2cc(Cl)nc3ccc(C)cc32)cc1OC ZINC000020105212 569334276 /nfs/dbraw/zinc/33/42/76/569334276.db2.gz PYOWQQSEAWRRRR-UHFFFAOYSA-N 0 0 430.957 4.665 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCc1ccccc1Cl ZINC000020180702 569355150 /nfs/dbraw/zinc/35/51/50/569355150.db2.gz APXUNFHKIHOZDZ-XKZIYDEJSA-N 0 0 436.870 4.562 50 0 IJAARN Cn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000020234260 569357202 /nfs/dbraw/zinc/35/72/02/569357202.db2.gz PFKZZTDNSJMVAD-UHFFFAOYSA-N 0 0 426.847 4.942 50 0 IJAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCc1ccc2c(c1)OCO2 ZINC000020241188 569357881 /nfs/dbraw/zinc/35/78/81/569357881.db2.gz VDIRVJFDPWBQGU-UHFFFAOYSA-N 0 0 430.913 4.582 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241088 569357950 /nfs/dbraw/zinc/35/79/50/569357950.db2.gz CZJKMGWKGFFDGG-OAHLLOKOSA-N 0 0 426.538 4.778 50 0 IJAARN CSc1ccc(CCNC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000020282881 569358862 /nfs/dbraw/zinc/35/88/62/569358862.db2.gz CYQSEDYMOCVKGB-UHFFFAOYSA-N 0 0 444.604 4.945 50 0 IJAARN O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2)Nc1cccc(Cl)c1 ZINC000020436630 569365491 /nfs/dbraw/zinc/36/54/91/569365491.db2.gz XLFQGCBBRXASFL-UHFFFAOYSA-N 0 0 427.907 4.800 50 0 IJAARN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000095430416 569366191 /nfs/dbraw/zinc/36/61/91/569366191.db2.gz YOAXKCCPGHNSNS-MUIFIZLQSA-N 0 0 426.479 4.713 50 0 IJAARN CCCn1c(C)nnc1CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 ZINC000095448517 569367663 /nfs/dbraw/zinc/36/76/63/569367663.db2.gz PBOQAVOBSWJTDJ-UHFFFAOYSA-N 0 0 434.569 4.854 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000095459182 569369326 /nfs/dbraw/zinc/36/93/26/569369326.db2.gz ZJQAMIFXIWDTCQ-GCJKJVERSA-N 0 0 434.540 4.506 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[nH]c(=O)c2c1C ZINC000095461562 569369914 /nfs/dbraw/zinc/36/99/14/569369914.db2.gz ATNXCEJAQMXKFI-CQSZACIVSA-N 0 0 438.578 4.857 50 0 IJAARN CCc1ccc(-c2nn(-c3ccccc3C)cc2CNCc2ccnc(N(C)C)n2)cc1 ZINC000095463777 569370399 /nfs/dbraw/zinc/37/03/99/569370399.db2.gz CTSBBLVYJPACSL-UHFFFAOYSA-N 0 0 426.568 4.556 50 0 IJAARN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000095471631 569372051 /nfs/dbraw/zinc/37/20/51/569372051.db2.gz QDHFTMXNVWXYBQ-UHFFFAOYSA-N 0 0 440.609 4.890 50 0 IJAARN COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000095473944 569372463 /nfs/dbraw/zinc/37/24/63/569372463.db2.gz BKJIUWRFJZCQAD-HXUWFJFHSA-N 0 0 447.512 4.881 50 0 IJAARN Cc1ncc(CN2CCc3ccccc3C2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095478686 569373548 /nfs/dbraw/zinc/37/35/48/569373548.db2.gz FSDZWXSNFQZSAG-UHFFFAOYSA-N 0 0 440.499 4.697 50 0 IJAARN CC1CCN(C(=O)Oc2c(Br)cc(Br)c3cccnc32)CC1 ZINC000095940923 569375444 /nfs/dbraw/zinc/37/54/44/569375444.db2.gz CEKKJFJPASVAEO-UHFFFAOYSA-N 0 0 428.124 4.991 50 0 IJAARN O=C(Nc1ccc(F)cc1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000095948959 569376535 /nfs/dbraw/zinc/37/65/35/569376535.db2.gz HLNROLRPSTWNFE-UHFFFAOYSA-N 0 0 433.409 4.532 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ncoc3-c3ccccc3Cl)C[C@@H]21 ZINC000096010146 569379613 /nfs/dbraw/zinc/37/96/13/569379613.db2.gz RUXMDDWLXWICLG-QILLFSRXSA-N 0 0 445.947 4.760 50 0 IJAARN CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(OCc3cccs3)cc2)CC1 ZINC000096008184 569379635 /nfs/dbraw/zinc/37/96/35/569379635.db2.gz WSTFFYOILCDAKE-UHFFFAOYSA-N 0 0 428.598 4.828 50 0 IJAARN CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 ZINC000096096982 569381261 /nfs/dbraw/zinc/38/12/61/569381261.db2.gz NYHQANFNHKOFAI-UHFFFAOYSA-N 0 0 449.414 4.957 50 0 IJAARN O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099452 569381552 /nfs/dbraw/zinc/38/15/52/569381552.db2.gz ZODBMUUUJNZNOX-UHFFFAOYSA-N 0 0 441.499 4.710 50 0 IJAARN COc1ccc(CCC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1Br ZINC000096104475 569382231 /nfs/dbraw/zinc/38/22/31/569382231.db2.gz KHWLZQKDCXEAIH-UHFFFAOYSA-N 0 0 447.373 4.644 50 0 IJAARN O=C(Nc1ccccc1)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1C1=Cc2ccccc2OC1 ZINC000096115499 569383302 /nfs/dbraw/zinc/38/33/02/569383302.db2.gz QUSRTUXFOXMSAD-RCZVLFRGSA-N 0 0 437.451 4.752 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccc(F)cc2)S1 ZINC000096117231 569384095 /nfs/dbraw/zinc/38/40/95/569384095.db2.gz GEKRGMOLZUIUON-HNAYVOBHSA-N 0 0 441.532 4.722 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(Br)c2)S1 ZINC000096117261 569384156 /nfs/dbraw/zinc/38/41/56/569384156.db2.gz FOEGDMFUOOPDHB-HOCLYGCPSA-N 0 0 436.375 4.955 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Br)c2)S1 ZINC000096117263 569384170 /nfs/dbraw/zinc/38/41/70/569384170.db2.gz FOEGDMFUOOPDHB-GOEBONIOSA-N 0 0 436.375 4.955 50 0 IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117990 569384356 /nfs/dbraw/zinc/38/43/56/569384356.db2.gz DOXTWLHZNJHHNC-SJKOYZFVSA-N 0 0 435.933 4.575 50 0 IJAARN CC(C)c1sc(Br)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096118548 569384608 /nfs/dbraw/zinc/38/46/08/569384608.db2.gz FSHFMFQPSOZOSE-UHFFFAOYSA-N 0 0 433.375 4.925 50 0 IJAARN COc1cc(OC)cc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 ZINC000096133924 569385914 /nfs/dbraw/zinc/38/59/14/569385914.db2.gz SVPZTDIEDBIQIJ-WJDWOHSUSA-N 0 0 442.880 4.951 50 0 IJAARN Cc1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccccc2F)c(C(C)(C)C)n1 ZINC000096203424 569386330 /nfs/dbraw/zinc/38/63/30/569386330.db2.gz SUCOLPHXKCZYJL-UHFFFAOYSA-N 0 0 426.580 4.507 50 0 IJAARN CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCCc3ccccn3)c2)n1 ZINC000096211151 569386550 /nfs/dbraw/zinc/38/65/50/569386550.db2.gz UKJUIKWWORJIEG-UHFFFAOYSA-N 0 0 449.624 4.545 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2ccc(Br)cc2F)C1=O ZINC000096280852 569389653 /nfs/dbraw/zinc/38/96/53/569389653.db2.gz PCFKXKVMFWTETP-ZDUSSCGKSA-N 0 0 445.210 4.599 50 0 IJAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)[C@@H](C)CC ZINC000096289439 569390641 /nfs/dbraw/zinc/39/06/41/569390641.db2.gz VONBQHWHIFJVOG-INIZCTEOSA-N 0 0 438.977 4.746 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)C2CCC2)C(C)C)cc1 ZINC000096289407 569390682 /nfs/dbraw/zinc/39/06/82/569390682.db2.gz LNPUPTMJLRHFIF-UHFFFAOYSA-N 0 0 435.973 4.953 50 0 IJAARN COCc1nnc(SCc2ccccc2C(=O)NCC(C)C)n1-c1cccc(Cl)c1 ZINC000096290768 569390989 /nfs/dbraw/zinc/39/09/89/569390989.db2.gz UYZXAYMZZQHLOO-UHFFFAOYSA-N 0 0 444.988 4.745 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096292962 569391427 /nfs/dbraw/zinc/39/14/27/569391427.db2.gz RNFXQRSVYBBQJP-BLVKFPJESA-N 0 0 446.454 4.941 50 0 IJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)c2ccco2)C2CC2)cc1 ZINC000096293905 569391699 /nfs/dbraw/zinc/39/16/99/569391699.db2.gz RFODBTXRCHNVBW-UHFFFAOYSA-N 0 0 445.924 4.814 50 0 IJAARN Cc1nnc(SCc2cccc(C(=O)NCc3ccc(F)cc3)c2)n1Cc1ccccc1 ZINC000096294265 569391775 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IJAARN O=C1OCC[C@@H]1Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 ZINC000003382099 569448827 /nfs/dbraw/zinc/44/88/27/569448827.db2.gz CAGUZENNAAJXNQ-HNNXBMFYSA-N 0 0 426.544 4.583 50 0 IJAARN Cc1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccccc1 ZINC000003381502 569448859 /nfs/dbraw/zinc/44/88/59/569448859.db2.gz PJLIDWAMALMDPH-UHFFFAOYSA-N 0 0 441.578 4.545 50 0 IJAARN Cc1ccnn1-c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000058162364 569449281 /nfs/dbraw/zinc/44/92/81/569449281.db2.gz IZOUMDAUZLRPIK-UHFFFAOYSA-N 0 0 446.532 4.542 50 0 IJAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C1=O ZINC000003405410 569449858 /nfs/dbraw/zinc/44/98/58/569449858.db2.gz WMTTWPXBJXRLMP-XMMPIXPASA-N 0 0 449.894 4.538 50 0 IJAARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003408341 569450017 /nfs/dbraw/zinc/45/00/17/569450017.db2.gz VAECUGBCWSQTOK-CYBMUJFWSA-N 0 0 436.459 4.532 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(Br)ccc1Cl ZINC000003414177 569450171 /nfs/dbraw/zinc/45/01/71/569450171.db2.gz ODWCWEJYWPMRFO-UHFFFAOYSA-N 0 0 439.737 4.602 50 0 IJAARN O=C(CCCSc1ccccc1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000003422430 569450489 /nfs/dbraw/zinc/45/04/89/569450489.db2.gz PAONZMLLJUHGKT-UHFFFAOYSA-N 0 0 448.544 4.856 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Br)ccc1Cl ZINC000003437701 569451092 /nfs/dbraw/zinc/45/10/92/569451092.db2.gz USCRCYXUVFSKCP-UHFFFAOYSA-N 0 0 449.654 4.832 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1C)c1ccccc1 ZINC000003440201 569451160 /nfs/dbraw/zinc/45/11/60/569451160.db2.gz WMTJNXUITYZJNH-INIZCTEOSA-N 0 0 436.459 4.623 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)N(C)c1ccccc1 ZINC000003465964 569452011 /nfs/dbraw/zinc/45/20/11/569452011.db2.gz QPECAEOVZJXEMW-MRXNPFEDSA-N 0 0 433.508 4.668 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003491556 569452560 /nfs/dbraw/zinc/45/25/60/569452560.db2.gz VKFIIYKFULYWRG-KRWDZBQOSA-N 0 0 445.548 4.766 50 0 IJAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)n4ccsc4n3)c2C1 ZINC000003542785 569453600 /nfs/dbraw/zinc/45/36/00/569453600.db2.gz LGLCVVHNDDRCSE-HNNXBMFYSA-N 0 0 447.560 4.812 50 0 IJAARN O=C(COc1ccc(Br)cc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031129091 569453885 /nfs/dbraw/zinc/45/38/85/569453885.db2.gz FTKCYKLYUFONFN-ZDUSSCGKSA-N 0 0 433.277 4.514 50 0 IJAARN COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2ccc(C)c(C)c2O)cc1OC ZINC000003633572 569455433 /nfs/dbraw/zinc/45/54/33/569455433.db2.gz LNQLZKYPQLEEGT-HSZRJFAPSA-N 0 0 433.548 4.907 50 0 biogenic IJAARN Cc1sc2ncn(CCC(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)c(=O)c2c1C ZINC000031337096 569456073 /nfs/dbraw/zinc/45/60/73/569456073.db2.gz XDCQKZNXKGOPMT-GFCCVEGCSA-N 0 0 438.380 4.991 50 0 IJAARN CCNc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nc2ccccc21 ZINC000031766308 569457222 /nfs/dbraw/zinc/45/72/22/569457222.db2.gz KQTMGMIIHFJXOT-UHFFFAOYSA-N 0 0 441.866 4.860 50 0 IJAARN CC(=O)N(c1nc(Cn2cnc3ccsc3c2=O)cs1)c1c(C)cc(C)cc1Cl ZINC000031788493 569457449 /nfs/dbraw/zinc/45/74/49/569457449.db2.gz QFSZHEDZWILEOO-UHFFFAOYSA-N 0 0 444.969 4.918 50 0 IJAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(Cn1ccc3ccccc31)n2C ZINC000031817719 569457962 /nfs/dbraw/zinc/45/79/62/569457962.db2.gz WWCVVTQZBNMNRW-UHFFFAOYSA-N 0 0 440.503 4.602 50 0 IJAARN COc1ccc([C@H](Nc2ccccc2)c2nnnn2-c2cc(Cl)ccc2C)cc1OC ZINC000004042551 569458368 /nfs/dbraw/zinc/45/83/68/569458368.db2.gz LFGWJBJNPYXFRK-QFIPXVFZSA-N 0 0 435.915 4.843 50 0 IJAARN Cc1ccc([C@@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083658 569458695 /nfs/dbraw/zinc/45/86/95/569458695.db2.gz UONDFHMNEAUERX-IDISGSTGSA-N 0 0 429.564 4.554 50 0 biogenic IJAARN CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1 ZINC000032071002 569459174 /nfs/dbraw/zinc/45/91/74/569459174.db2.gz OLVDALHCAUZZDF-CQSZACIVSA-N 0 0 427.892 4.545 50 0 IJAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3)n1-c1ccccc1)C2 ZINC000032095894 569459914 /nfs/dbraw/zinc/45/99/14/569459914.db2.gz GPSMWYOBDRREOM-QFIPXVFZSA-N 0 0 443.528 4.851 50 0 IJAARN Nc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000004123153 569460059 /nfs/dbraw/zinc/46/00/59/569460059.db2.gz MTXQJEROODZVNG-QHCPKHFHSA-N 0 0 441.314 4.583 50 0 IJAARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004183531 569460763 /nfs/dbraw/zinc/46/07/63/569460763.db2.gz BGCQKLUVADWQHS-FQEVSTJZSA-N 0 0 425.550 4.694 50 0 IJAARN CCc1ccc(O[C@@](NC(=O)Nc2ccc(F)c(Cl)c2)(C(=O)OC)C(F)(F)F)cc1 ZINC000004208112 569460915 /nfs/dbraw/zinc/46/09/15/569460915.db2.gz XWEBATFWBNDGLR-SFHVURJKSA-N 0 0 448.800 4.674 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2-c2ccc(C)cc2)cc1 ZINC000004211484 569460968 /nfs/dbraw/zinc/46/09/68/569460968.db2.gz LCFLICVTYAFYBA-UHFFFAOYSA-N 0 0 436.581 4.602 50 0 IJAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000032350812 569461409 /nfs/dbraw/zinc/46/14/09/569461409.db2.gz OBUZTRKPWMVHBI-HXUWFJFHSA-N 0 0 445.544 4.539 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(CN3CCCC3)o2)c(C)n1CCC1=CCCCC1 ZINC000008076203 569462296 /nfs/dbraw/zinc/46/22/96/569462296.db2.gz GEBPJUSCYIUFFK-UHFFFAOYSA-N 0 0 428.602 4.949 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)c1C ZINC000038486868 569462826 /nfs/dbraw/zinc/46/28/26/569462826.db2.gz KJANAFKBHBOITM-UHFFFAOYSA-N 0 0 446.511 4.531 50 0 IJAARN COc1ccc(-n2cc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 ZINC000038487247 569462916 /nfs/dbraw/zinc/46/29/16/569462916.db2.gz PXTXZYJIIXCWBS-UHFFFAOYSA-N 0 0 425.444 4.725 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000038488163 569462993 /nfs/dbraw/zinc/46/29/93/569462993.db2.gz DNEHKZNJIOWXBO-UHFFFAOYSA-N 0 0 431.605 4.887 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000067194173 569464390 /nfs/dbraw/zinc/46/43/90/569464390.db2.gz SKDZFCWTLYTADS-ZDUSSCGKSA-N 0 0 429.845 4.647 50 0 IJAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000067194175 569464414 /nfs/dbraw/zinc/46/44/14/569464414.db2.gz SKDZFCWTLYTADS-CYBMUJFWSA-N 0 0 429.845 4.647 50 0 IJAARN CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccc(C)cc1)c1cccc(C)c1 ZINC000067236983 569465464 /nfs/dbraw/zinc/46/54/64/569465464.db2.gz BOXPWYUXCHRFEZ-UHFFFAOYSA-N 0 0 446.576 4.784 50 0 IJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1F ZINC000038651892 569465718 /nfs/dbraw/zinc/46/57/18/569465718.db2.gz DGKCZQVNHFDSGA-UHFFFAOYSA-N 0 0 447.488 4.877 50 0 IJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(F)cc3F)c(=O)c12 ZINC000067260414 569466341 /nfs/dbraw/zinc/46/63/41/569466341.db2.gz MLGRQZGEKJISSY-UHFFFAOYSA-N 0 0 442.472 4.871 50 0 IJAARN Cc1ccc(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc43)CC2)c(C)c1 ZINC000067263325 569466709 /nfs/dbraw/zinc/46/67/09/569466709.db2.gz IJPADJHAZBSKTJ-UHFFFAOYSA-N 0 0 434.547 4.888 50 0 IJAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CC=C(c2ccccc2)CC1 ZINC000067262551 569466713 /nfs/dbraw/zinc/46/67/13/569466713.db2.gz JUSFNZBWCQNLEC-UHFFFAOYSA-N 0 0 441.922 4.912 50 0 IJAARN Cc1ccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc43)CC2)c(C)c1 ZINC000067287975 569467356 /nfs/dbraw/zinc/46/73/56/569467356.db2.gz UJALLCNLVCTSNQ-UHFFFAOYSA-N 0 0 432.543 4.553 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)NCCCc4ccccc4)nccn3n2)cc1 ZINC000067290465 569467596 /nfs/dbraw/zinc/46/75/96/569467596.db2.gz NFPZQCYFXBCKSC-UHFFFAOYSA-N 0 0 446.576 4.636 50 0 IJAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cnn(-c4ccccc4)c3C)nc21 ZINC000038839705 569469225 /nfs/dbraw/zinc/46/92/25/569469225.db2.gz OJGVVNUKXOENHJ-SFHVURJKSA-N 0 0 448.548 4.625 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000008703866 569470180 /nfs/dbraw/zinc/47/01/80/569470180.db2.gz TWCJUOHDGXFQLT-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)COc2ccccc2Cc2ccccc2)c(C)c1 ZINC000008705031 569470338 /nfs/dbraw/zinc/47/03/38/569470338.db2.gz IOWQKXXWKXQNRF-UHFFFAOYSA-N 0 0 430.548 4.679 50 0 IJAARN CCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000263587341 569471067 /nfs/dbraw/zinc/47/10/67/569471067.db2.gz FVRVWHQVNVPGEL-LJQANCHMSA-N 0 0 433.508 4.873 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000008717795 569471200 /nfs/dbraw/zinc/47/12/00/569471200.db2.gz PAIBDTSJQSBQLA-RYUDHWBXSA-N 0 0 435.471 4.801 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)n2cnc3scc(-c4ccccc4)c3c2=O)cc1Cl ZINC000008717824 569471228 /nfs/dbraw/zinc/47/12/28/569471228.db2.gz XQJFQSKYULYFLB-CYBMUJFWSA-N 0 0 439.924 4.987 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(Cl)cc2Cl)c2cccnc2)cc1 ZINC000008718005 569471269 /nfs/dbraw/zinc/47/12/69/569471269.db2.gz NTQPRLZNNPDVAY-HXUWFJFHSA-N 0 0 449.359 4.642 50 0 IJAARN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1cccc(C(F)(F)F)c1 ZINC000008720252 569471577 /nfs/dbraw/zinc/47/15/77/569471577.db2.gz WPAVSOBQNQRTNW-HNNXBMFYSA-N 0 0 448.466 4.997 50 0 IJAARN COc1cc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc(OC)c1 ZINC000008723436 569471898 /nfs/dbraw/zinc/47/18/98/569471898.db2.gz YEIIRKAMQPBUIG-UHFFFAOYSA-N 0 0 433.224 4.536 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccnc1 ZINC000008725814 569472190 /nfs/dbraw/zinc/47/21/90/569472190.db2.gz GREOVDZGZPPUNE-QFIPXVFZSA-N 0 0 441.560 4.750 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)CCCC2 ZINC000008750220 569473352 /nfs/dbraw/zinc/47/33/52/569473352.db2.gz FULLULQVABGLGG-INIZCTEOSA-N 0 0 438.622 4.999 50 0 IJAARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCC(=O)N(C)C)cc1 ZINC000008750769 569473409 /nfs/dbraw/zinc/47/34/09/569473409.db2.gz OMEGJWCCLMDALH-WQRHYEAKSA-N 0 0 448.375 4.867 50 0 IJAARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000008756503 569474075 /nfs/dbraw/zinc/47/40/75/569474075.db2.gz AWZQLEQIYCRXFG-UHFFFAOYSA-N 0 0 434.546 4.728 50 0 IJAARN C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008777264 569475405 /nfs/dbraw/zinc/47/54/05/569475405.db2.gz FRXWKYNNFKAYIP-CQSZACIVSA-N 0 0 432.863 4.726 50 0 IJAARN COc1ccc(CN2C[C@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)cc1 ZINC000008786962 569475901 /nfs/dbraw/zinc/47/59/01/569475901.db2.gz NXERRXWHPVJMPI-IAGOWNOFSA-N 0 0 444.362 4.755 50 0 IJAARN O=C(NCc1ccccc1Cl)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008790807 569476083 /nfs/dbraw/zinc/47/60/83/569476083.db2.gz IAOLOVVKVVETAQ-LADGPHEKSA-N 0 0 441.918 4.608 50 0 biogenic IJAARN CCOc1ccccc1-n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 ZINC000008808723 569476529 /nfs/dbraw/zinc/47/65/29/569476529.db2.gz SVNLGWPEGOGRQV-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccccc1 ZINC000008815804 569476731 /nfs/dbraw/zinc/47/67/31/569476731.db2.gz YZOMRRGHAKHWLP-GOSISDBHSA-N 0 0 449.510 4.930 50 0 IJAARN C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)c1nnc(-c2ccccc2)o1 ZINC000008825541 569477406 /nfs/dbraw/zinc/47/74/06/569477406.db2.gz FFIRNAQMYIGVSV-CYBMUJFWSA-N 0 0 447.545 4.742 50 0 IJAARN O=C1CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2N1Cc1ccccc1 ZINC000008840639 569478361 /nfs/dbraw/zinc/47/83/61/569478361.db2.gz KCGVSQANOQVWAG-UHFFFAOYSA-N 0 0 444.915 4.759 50 0 IJAARN CC(=O)c1sc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)nc1C ZINC000008844053 569478565 /nfs/dbraw/zinc/47/85/65/569478565.db2.gz ADXSUSBTRHERNL-UHFFFAOYSA-N 0 0 430.489 4.736 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008845304 569478816 /nfs/dbraw/zinc/47/88/16/569478816.db2.gz RMSOXBTYIBCEIL-KBMIEXCESA-N 0 0 447.535 4.685 50 0 IJAARN CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000008845832 569478896 /nfs/dbraw/zinc/47/88/96/569478896.db2.gz PDRBRGBAESJUMV-DEOSSOPVSA-N 0 0 435.524 4.781 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846055 569478987 /nfs/dbraw/zinc/47/89/87/569478987.db2.gz KQBDIHVQQYTLCQ-HSZRJFAPSA-N 0 0 426.472 4.722 50 0 IJAARN COc1cc(C(=O)N(C)Cc2ccco2)cc(Br)c1OCc1ccccc1 ZINC000008848833 569479192 /nfs/dbraw/zinc/47/91/92/569479192.db2.gz NGYLAXTZTNUWFR-UHFFFAOYSA-N 0 0 430.298 4.902 50 0 IJAARN O=C(CSc1nc(CC(=O)Nc2cccc(F)c2)cs1)Nc1ccc(Cl)cc1 ZINC000008852455 569479500 /nfs/dbraw/zinc/47/95/00/569479500.db2.gz YBTGEUASWKUNHS-UHFFFAOYSA-N 0 0 435.933 4.848 50 0 IJAARN COc1cc(C(=O)N[C@H](C)c2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000008861416 569479985 /nfs/dbraw/zinc/47/99/85/569479985.db2.gz TWHAFTCFUKIGOX-OAHLLOKOSA-N 0 0 441.325 4.923 50 0 IJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000008861199 569479976 /nfs/dbraw/zinc/47/99/76/569479976.db2.gz RDFGUUMWRABQBR-UHFFFAOYSA-N 0 0 430.501 4.697 50 0 IJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 ZINC000008862380 569480124 /nfs/dbraw/zinc/48/01/24/569480124.db2.gz PEAZTDZMHZXDJQ-QGZVFWFLSA-N 0 0 430.533 4.761 50 0 IJAARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1C ZINC000008862390 569480162 /nfs/dbraw/zinc/48/01/62/569480162.db2.gz JBVGKCNNSOUJQA-MHZLTWQESA-N 0 0 437.499 4.954 50 0 IJAARN COc1ccc(C(C)=O)cc1COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000039481856 569481659 /nfs/dbraw/zinc/48/16/59/569481659.db2.gz PYCJCGUCPJOKQS-QHCPKHFHSA-N 0 0 431.488 4.502 50 0 IJAARN Cc1nc2ccccc2nc1COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000039547068 569481731 /nfs/dbraw/zinc/48/17/31/569481731.db2.gz FYDGOASUBKORFA-GOSISDBHSA-N 0 0 447.438 4.503 50 0 IJAARN COc1ccc(CNc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844521 569481950 /nfs/dbraw/zinc/48/19/50/569481950.db2.gz OUUZRVRMMQNLAO-UHFFFAOYSA-N 0 0 438.480 4.934 50 0 IJAARN CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1nc2ccccc2[nH]1 ZINC000068785719 569481984 /nfs/dbraw/zinc/48/19/84/569481984.db2.gz MVIOBCPMVAMRBZ-LAUBAEHRSA-N 0 0 438.959 4.582 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000039980585 569482262 /nfs/dbraw/zinc/48/22/62/569482262.db2.gz OYGWHOFCPYUNSS-CYBMUJFWSA-N 0 0 434.537 4.525 50 0 IJAARN COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000040024677 569482775 /nfs/dbraw/zinc/48/27/75/569482775.db2.gz WCCIFUJWXJTEJZ-UHFFFAOYSA-N 0 0 430.489 4.681 50 0 IJAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(Br)cc1 ZINC000008897984 569483973 /nfs/dbraw/zinc/48/39/73/569483973.db2.gz NYCSOWAFRRNXMQ-UHFFFAOYSA-N 0 0 425.307 4.770 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)Nc1ccccc1F ZINC000008900434 569484116 /nfs/dbraw/zinc/48/41/16/569484116.db2.gz ZTCXRAVREPKSIB-UHFFFAOYSA-N 0 0 434.492 4.961 50 0 IJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000040051009 569484375 /nfs/dbraw/zinc/48/43/75/569484375.db2.gz LOFUDGJBWKAGRC-SFHVURJKSA-N 0 0 428.941 4.973 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)o2)cc1C ZINC000040056813 569484527 /nfs/dbraw/zinc/48/45/27/569484527.db2.gz APNZGQADDIQDBH-GOSISDBHSA-N 0 0 440.565 4.514 50 0 IJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1ccccc1Cl ZINC000008911549 569484847 /nfs/dbraw/zinc/48/48/47/569484847.db2.gz WNDQJLIKIXOIBP-UHFFFAOYSA-N 0 0 436.968 4.866 50 0 IJAARN COc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000008913399 569485337 /nfs/dbraw/zinc/48/53/37/569485337.db2.gz LGOYHDIZTMUHIL-UHFFFAOYSA-N 0 0 446.576 4.919 50 0 IJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)CC1=O ZINC000008915716 569485591 /nfs/dbraw/zinc/48/55/91/569485591.db2.gz NCUQRJNOFKXUDL-HUUCEWRRSA-N 0 0 430.335 4.759 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)C[S@](=O)C3)c(C)c1 ZINC000008918966 569486399 /nfs/dbraw/zinc/48/63/99/569486399.db2.gz AALJLTBZDRRPQP-MUUNZHRXSA-N 0 0 434.348 4.811 50 0 IJAARN COc1cccc(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])c1OC ZINC000008932853 569487745 /nfs/dbraw/zinc/48/77/45/569487745.db2.gz MSBDBFLLDJDKDG-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1S[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000008942043 569488672 /nfs/dbraw/zinc/48/86/72/569488672.db2.gz VMNAQYUTTAMDON-HZPDHXFCSA-N 0 0 436.537 4.816 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3cccnc3Cl)nc(=O)c12 ZINC000008943383 569488806 /nfs/dbraw/zinc/48/88/06/569488806.db2.gz SCULFNFMQMIMQS-JTQLQIEISA-N 0 0 436.990 4.661 50 0 IJAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000069055511 569489928 /nfs/dbraw/zinc/48/99/28/569489928.db2.gz KYMGRLZBSPJQSH-BBATYDOGSA-N 0 0 429.294 4.903 50 0 IJAARN CC(C)CCN1c2cc(NC(=O)COc3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000008959994 569490382 /nfs/dbraw/zinc/49/03/82/569490382.db2.gz PIAXPUIYWNDRPF-UHFFFAOYSA-N 0 0 428.504 4.641 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCCCc3ccccc32)CC1 ZINC000040133903 569490435 /nfs/dbraw/zinc/49/04/35/569490435.db2.gz JYQZGQHFLBZOGG-UHFFFAOYSA-N 0 0 426.944 4.570 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000040135436 569490728 /nfs/dbraw/zinc/49/07/28/569490728.db2.gz WBZYOJDVLJYKEE-UHFFFAOYSA-N 0 0 437.971 4.783 50 0 IJAARN CCn1c(-c2ccc(Cl)cc2)nn(CN2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)c1=S ZINC000040139221 569490817 /nfs/dbraw/zinc/49/08/17/569490817.db2.gz BWHVSBALYOGAJK-KSSFIOAISA-N 0 0 441.988 4.580 50 0 IJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000008961115 569490919 /nfs/dbraw/zinc/49/09/19/569490919.db2.gz FYFNEECEJXRSCZ-UHFFFAOYSA-N 0 0 428.897 4.913 50 0 IJAARN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961069 569490934 /nfs/dbraw/zinc/49/09/34/569490934.db2.gz DYJHTEUOLRNWHS-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1 ZINC000008961126 569490978 /nfs/dbraw/zinc/49/09/78/569490978.db2.gz NDDVLNYYZBGPBX-UHFFFAOYSA-N 0 0 438.505 4.659 50 0 IJAARN CC[C@H](C(=O)NCc1ccc(Cl)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965252 569491385 /nfs/dbraw/zinc/49/13/85/569491385.db2.gz APQGCLZXISSLDU-JOCHJYFZSA-N 0 0 448.954 4.725 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)cs2)cc1 ZINC000040146437 569492249 /nfs/dbraw/zinc/49/22/49/569492249.db2.gz ASHAXQQKZPWJQZ-KRWDZBQOSA-N 0 0 440.594 4.881 50 0 IJAARN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(SC4CCCC4)cc3)CC2)c(C)o1 ZINC000040152276 569493414 /nfs/dbraw/zinc/49/34/14/569493414.db2.gz FTQVWYAOODOLHZ-UHFFFAOYSA-N 0 0 427.570 4.921 50 0 IJAARN O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1ccc(F)cc1Cl ZINC000040155251 569493866 /nfs/dbraw/zinc/49/38/66/569493866.db2.gz IYBSPYZTJDAVGD-UHFFFAOYSA-N 0 0 426.713 4.720 50 0 IJAARN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)c1 ZINC000040158551 569494612 /nfs/dbraw/zinc/49/46/12/569494612.db2.gz ZRPPDRCUKJZDPI-GOSISDBHSA-N 0 0 437.565 4.799 50 0 IJAARN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)cc1 ZINC000040159987 569495053 /nfs/dbraw/zinc/49/50/53/569495053.db2.gz BNRGLWLBENLDJW-UHFFFAOYSA-N 0 0 443.503 4.949 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000040160377 569495165 /nfs/dbraw/zinc/49/51/65/569495165.db2.gz XVMHGJKBKRIRJF-UHFFFAOYSA-N 0 0 446.457 4.676 50 0 IJAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2)N1Cc1cccnc1 ZINC000008995845 569495679 /nfs/dbraw/zinc/49/56/79/569495679.db2.gz YUZVPGIAPCPJED-FQEVSTJZSA-N 0 0 447.288 4.696 50 0 IJAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000069188431 569496559 /nfs/dbraw/zinc/49/65/59/569496559.db2.gz ZUNNLZYGTPBIRV-ZMZPIMSZSA-N 0 0 429.294 4.903 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288223 569498431 /nfs/dbraw/zinc/49/84/31/569498431.db2.gz PISFEASUNGHCOR-ZEQRLZLVSA-N 0 0 425.488 4.726 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)c1 ZINC000009053872 569498881 /nfs/dbraw/zinc/49/88/81/569498881.db2.gz FXGGEUVOVUBXRW-IBGZPJMESA-N 0 0 435.578 4.809 50 0 IJAARN O=C(NCc1ccco1)c1cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1 ZINC000040355013 569499739 /nfs/dbraw/zinc/49/97/39/569499739.db2.gz VGKYQVDYXUPQFZ-UHFFFAOYSA-N 0 0 427.382 4.962 50 0 IJAARN COc1cccc(CNC(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000040355518 569499800 /nfs/dbraw/zinc/49/98/00/569499800.db2.gz JVAXEVAOYYUBAZ-UHFFFAOYSA-N 0 0 436.320 4.641 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000009067449 569500036 /nfs/dbraw/zinc/50/00/36/569500036.db2.gz BKLFEBOFTGRURR-UHFFFAOYSA-N 0 0 433.474 4.611 50 0 IJAARN CCn1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000009071488 569500093 /nfs/dbraw/zinc/50/00/93/569500093.db2.gz BIZSPULBHLUJHC-OAHLLOKOSA-N 0 0 426.973 4.684 50 0 IJAARN Cc1csc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)n1 ZINC000009101950 569501803 /nfs/dbraw/zinc/50/18/03/569501803.db2.gz LUVHZDMLEIJVDF-UHFFFAOYSA-N 0 0 440.475 4.806 50 0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)no1 ZINC000069351700 569501884 /nfs/dbraw/zinc/50/18/84/569501884.db2.gz QJOWKDWQECRKHZ-SFHVURJKSA-N 0 0 429.318 4.525 50 0 IJAARN COc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000009111651 569502358 /nfs/dbraw/zinc/50/23/58/569502358.db2.gz RKIVQLKJGATOPY-GOSISDBHSA-N 0 0 444.560 4.912 50 0 IJAARN Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCc3cccc(Br)c3)o2)c1 ZINC000009115395 569502725 /nfs/dbraw/zinc/50/27/25/569502725.db2.gz AIEACZHKOGTGJG-AREMUKBSSA-N 0 0 432.339 4.588 50 0 IJAARN O=C(NCCCc1ccccc1)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000009115580 569502769 /nfs/dbraw/zinc/50/27/69/569502769.db2.gz FCSPITROLBBBIU-HHHXNRCGSA-N 0 0 446.366 4.713 50 0 IJAARN O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1cccc(Cl)c1 ZINC000009118282 569503261 /nfs/dbraw/zinc/50/32/61/569503261.db2.gz AMWYVCTVLPLNLV-UHFFFAOYSA-N 0 0 427.957 4.648 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000009119555 569503579 /nfs/dbraw/zinc/50/35/79/569503579.db2.gz PNNFHCWSVJPFBN-GOSISDBHSA-N 0 0 442.874 4.793 50 0 IJAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCC[C@H]1C ZINC000245328812 569504060 /nfs/dbraw/zinc/50/40/60/569504060.db2.gz PUJJCFTUKNZWHO-IAGOWNOFSA-N 0 0 447.576 4.534 50 0 IJAARN Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1CCc1cccs1 ZINC000009125432 569504651 /nfs/dbraw/zinc/50/46/51/569504651.db2.gz FQBSBMHYAQLKGM-UHFFFAOYSA-N 0 0 425.941 4.655 50 0 IJAARN CCc1ccc(-c2noc(CSc3nnc(COc4ccccc4Cl)n3C)n2)cc1 ZINC000009126014 569504742 /nfs/dbraw/zinc/50/47/42/569504742.db2.gz AGQOGHQBQBDDSF-UHFFFAOYSA-N 0 0 441.944 4.952 50 0 IJAARN CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000009125950 569504766 /nfs/dbraw/zinc/50/47/66/569504766.db2.gz QEVBWBLTJGOEQA-IFXJQAMLSA-N 0 0 441.622 4.524 50 0 IJAARN Cc1ncc(C(=O)O[C@@H](c2ccccc2)C2CCN(C(=O)c3cnc(C)s3)CC2)s1 ZINC000069394539 569505289 /nfs/dbraw/zinc/50/52/89/569505289.db2.gz RRVXCBBKIMJNTO-FQEVSTJZSA-N 0 0 441.578 4.667 50 0 IJAARN O=C(Nc1ccc(C2(C(=O)NC[C@@H]3CCCO3)CCCCC2)cc1)c1cc(F)ccc1F ZINC000040454867 569506487 /nfs/dbraw/zinc/50/64/87/569506487.db2.gz GRRWFVOXVSVPEH-FQEVSTJZSA-N 0 0 442.506 4.714 50 0 IJAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000009132340 569507005 /nfs/dbraw/zinc/50/70/05/569507005.db2.gz OBICCJORSLAKQQ-SFHVURJKSA-N 0 0 439.968 4.746 50 0 IJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(Br)o3)ccc1O2 ZINC000009135379 569507075 /nfs/dbraw/zinc/50/70/75/569507075.db2.gz ZPONBUZHSRVGFP-UHFFFAOYSA-N 0 0 427.254 4.985 50 0 IJAARN O=C(N/C(C(=O)N1CCCCC1)=C(\Sc1ccccn1)c1ccccc1)c1ccccc1 ZINC000009145004 569507428 /nfs/dbraw/zinc/50/74/28/569507428.db2.gz OXUXGZHZVYMYBG-VHXPQNKSSA-N 0 0 443.572 4.985 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(-n4cncn4)c(F)c3)cc12 ZINC000069591019 569508488 /nfs/dbraw/zinc/50/84/88/569508488.db2.gz BWVWEUAZSNXFAY-UHFFFAOYSA-N 0 0 436.447 4.507 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CCS1 ZINC000009165005 569508794 /nfs/dbraw/zinc/50/87/94/569508794.db2.gz KFIBNAPAHATYEA-QHCPKHFHSA-N 0 0 434.536 4.613 50 0 IJAARN CC(C)CCN1c2ccc(NS(=O)(=O)Cc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009169652 569509247 /nfs/dbraw/zinc/50/92/47/569509247.db2.gz USHNZYQXNPMSLC-UHFFFAOYSA-N 0 0 448.560 4.565 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009172169 569509487 /nfs/dbraw/zinc/50/94/87/569509487.db2.gz GHIGLEIXPLCJBI-UHFFFAOYSA-N 0 0 436.961 4.611 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCC2 ZINC000009189640 569510452 /nfs/dbraw/zinc/51/04/52/569510452.db2.gz IQEZOKBLHAWKIA-QGZVFWFLSA-N 0 0 425.945 4.568 50 0 biogenic IJAARN Cn1c2ccccc2c(=O)c(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(Cl)cc1 ZINC000009187871 569510493 /nfs/dbraw/zinc/51/04/93/569510493.db2.gz CUZZCNGWRHBKHA-UHFFFAOYSA-N 0 0 432.863 4.840 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OCC ZINC000009195003 569510954 /nfs/dbraw/zinc/51/09/54/569510954.db2.gz QNTQKPFRNDHHHM-ZDUSSCGKSA-N 0 0 431.876 4.593 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009196914 569510974 /nfs/dbraw/zinc/51/09/74/569510974.db2.gz KGSWRQCWTXMHLY-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 ZINC000009197933 569511072 /nfs/dbraw/zinc/51/10/72/569511072.db2.gz FPQNFHPMKJNBHB-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000009200159 569511149 /nfs/dbraw/zinc/51/11/49/569511149.db2.gz GTGSPXDNOCCKCM-HSZRJFAPSA-N 0 0 435.520 4.779 50 0 IJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000009200974 569511166 /nfs/dbraw/zinc/51/11/66/569511166.db2.gz UIAQTGOUBPZHRI-SFHVURJKSA-N 0 0 445.548 4.945 50 0 IJAARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1 ZINC000009210485 569511607 /nfs/dbraw/zinc/51/16/07/569511607.db2.gz KFTIHAPYYMWVRP-QHCPKHFHSA-N 0 0 436.471 4.715 50 0 IJAARN COc1ccc2c[nH]c(=O)c(-c3nc4ccccn4c3Nc3ccc(OC)c(OC)c3)c2c1 ZINC000009210832 569511674 /nfs/dbraw/zinc/51/16/74/569511674.db2.gz RLQRNNXDLKAMQR-UHFFFAOYSA-N 0 0 442.475 4.612 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccc3)cc2)nc1C[S@](=O)c1ccccc1 ZINC000009212015 569511953 /nfs/dbraw/zinc/51/19/53/569511953.db2.gz JIRUAUPPGWYZTI-WJOKGBTCSA-N 0 0 430.529 4.888 50 0 IJAARN O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000009216229 569512158 /nfs/dbraw/zinc/51/21/58/569512158.db2.gz OIWRLAIBPZVXIZ-JROAWJKBSA-N 0 0 447.560 4.818 50 0 biogenic IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2ccccc2c1O ZINC000009223497 569513006 /nfs/dbraw/zinc/51/30/06/569513006.db2.gz DIEPOHSPEVXVKZ-UHFFFAOYSA-N 0 0 436.817 4.928 50 0 IJAARN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000009234016 569513904 /nfs/dbraw/zinc/51/39/04/569513904.db2.gz WTGBEIRMDWFGDL-LICLKQGHSA-N 0 0 434.876 4.553 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1C ZINC000009236937 569514175 /nfs/dbraw/zinc/51/41/75/569514175.db2.gz FCSSPDVBPSPABL-YADHBBJMSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccccc2F)cc1 ZINC000009238166 569514248 /nfs/dbraw/zinc/51/42/48/569514248.db2.gz GICYIEITCMBFEN-SFTDATJTSA-N 0 0 445.523 4.790 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2ccccc2)cc1 ZINC000009238254 569514269 /nfs/dbraw/zinc/51/42/69/569514269.db2.gz YZOGMPNPODSHME-RTWAWAEBSA-N 0 0 427.533 4.651 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)c(C)c1 ZINC000009238301 569514289 /nfs/dbraw/zinc/51/42/89/569514289.db2.gz RMFQFMOYRKVMBC-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccc(F)cc2)c1 ZINC000009238307 569514328 /nfs/dbraw/zinc/51/43/28/569514328.db2.gz HFAQSBUBLHTZQL-LEWJYISDSA-N 0 0 445.523 4.790 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccccc1Nc1ccc(F)cc1 ZINC000009244516 569515072 /nfs/dbraw/zinc/51/50/72/569515072.db2.gz HEEAZYFQERDEIV-UHFFFAOYSA-N 0 0 441.890 4.942 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cn1 ZINC000009245179 569515289 /nfs/dbraw/zinc/51/52/89/569515289.db2.gz QDJPGSVAANMSFW-HNNXBMFYSA-N 0 0 445.144 4.544 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1cccc(N(C)C)c1 ZINC000009254456 569516379 /nfs/dbraw/zinc/51/63/79/569516379.db2.gz HXUSICPKPRQSJU-UHFFFAOYSA-N 0 0 443.956 4.768 50 0 IJAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2[C@H](C)Oc2ccccc2)cc1OC ZINC000009255097 569516475 /nfs/dbraw/zinc/51/64/75/569516475.db2.gz AHVMAHGDXAUEEK-KRWDZBQOSA-N 0 0 431.492 4.832 50 0 IJAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2[C@@H](C)Oc2ccccc2)cc1OC ZINC000009255099 569516494 /nfs/dbraw/zinc/51/64/94/569516494.db2.gz AHVMAHGDXAUEEK-QGZVFWFLSA-N 0 0 431.492 4.832 50 0 IJAARN O=C(CSc1ccccc1C(=O)N[C@H]1CCSc2ccccc21)NCc1ccco1 ZINC000009255683 569516619 /nfs/dbraw/zinc/51/66/19/569516619.db2.gz LRDNHCIKRJLJLA-IBGZPJMESA-N 0 0 438.574 4.655 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)c2C)no1 ZINC000009283376 569518851 /nfs/dbraw/zinc/51/88/51/569518851.db2.gz RQYHZOHNFVSNRP-UHFFFAOYSA-N 0 0 442.686 4.785 50 0 IJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(C)(C)C ZINC000009284344 569519070 /nfs/dbraw/zinc/51/90/70/569519070.db2.gz DFNKENRYEHOLIR-UHFFFAOYSA-N 0 0 436.508 4.963 50 0 IJAARN COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)/C=C/c1ccccc1Cl ZINC000009288942 569519475 /nfs/dbraw/zinc/51/94/75/569519475.db2.gz ZGQLTFDJEHUYAP-OUKQBFOZSA-N 0 0 445.910 4.968 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1C)S2 ZINC000009295006 569520283 /nfs/dbraw/zinc/52/02/83/569520283.db2.gz NGCYFWLHSCUHFM-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000009295654 569520353 /nfs/dbraw/zinc/52/03/53/569520353.db2.gz SYZRIZXPCCHZBR-UHFFFAOYSA-N 0 0 446.532 4.688 50 0 IJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2C)n1C ZINC000009305562 569521269 /nfs/dbraw/zinc/52/12/69/569521269.db2.gz WIEHHOFUCQEPRI-UHFFFAOYSA-N 0 0 431.359 4.592 50 0 IJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000009308313 569521455 /nfs/dbraw/zinc/52/14/55/569521455.db2.gz UPZSUSZREWLIQC-UHFFFAOYSA-N 0 0 444.347 4.912 50 0 IJAARN CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000009309601 569521602 /nfs/dbraw/zinc/52/16/02/569521602.db2.gz ZPNSOLOXSDYRGJ-RPWUZVMVSA-N 0 0 439.544 4.916 50 0 IJAARN COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc3c(c2)CCCC3)n2ccccc12 ZINC000009316682 569522216 /nfs/dbraw/zinc/52/22/16/569522216.db2.gz PRSNKNUUSBFXOQ-UHFFFAOYSA-N 0 0 439.515 4.892 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 ZINC000009316749 569522300 /nfs/dbraw/zinc/52/23/00/569522300.db2.gz HAJDDHNYUIPARF-UHFFFAOYSA-N 0 0 449.894 4.675 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)n2C(C)C)cc1 ZINC000009318256 569522397 /nfs/dbraw/zinc/52/23/97/569522397.db2.gz VSIKNTNOGZBHCB-INIZCTEOSA-N 0 0 438.553 4.857 50 0 IJAARN COc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc(F)cc2)cc1OC ZINC000009327833 569522748 /nfs/dbraw/zinc/52/27/48/569522748.db2.gz MKOSPAORLAKRIA-UHFFFAOYSA-N 0 0 432.451 4.614 50 0 IJAARN C[C@@H]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)c2ccccc2S1 ZINC000009339315 569523700 /nfs/dbraw/zinc/52/37/00/569523700.db2.gz AWEIOZGCRBNIKY-CQSZACIVSA-N 0 0 430.986 4.930 50 0 IJAARN COCCNC(=O)CCc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O ZINC000009348064 569524367 /nfs/dbraw/zinc/52/43/67/569524367.db2.gz VVZDWRQPTQQWTK-UHFFFAOYSA-N 0 0 437.467 4.657 50 0 IJAARN CCOC(=O)COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3)C2)cc1 ZINC000009349051 569524622 /nfs/dbraw/zinc/52/46/22/569524622.db2.gz KMCJEGPFEVTBQJ-NRFANRHFSA-N 0 0 434.517 4.682 50 0 IJAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cc(C2CC2)nc2ccccc21 ZINC000009349190 569524660 /nfs/dbraw/zinc/52/46/60/569524660.db2.gz ZKVJLBXEAOQQFF-UHFFFAOYSA-N 0 0 425.282 4.898 50 0 IJAARN O=C(CSc1nnc(Nc2ccc(F)cc2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000009365821 569526172 /nfs/dbraw/zinc/52/61/72/569526172.db2.gz QSYBMUQVXKCPID-UHFFFAOYSA-N 0 0 428.514 4.523 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000009366340 569526245 /nfs/dbraw/zinc/52/62/45/569526245.db2.gz DXYHYWWBSRQHGX-QFIPXVFZSA-N 0 0 448.906 4.505 50 0 IJAARN Cc1csc(SCC(=O)Nc2cccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)c2)n1 ZINC000009376205 569527301 /nfs/dbraw/zinc/52/73/01/569527301.db2.gz KCNNGBOCCPQAFU-UHFFFAOYSA-N 0 0 442.591 4.764 50 0 IJAARN O=C(OCc1cc(=O)oc2cc(Br)ccc12)c1cccc(OC(F)F)c1 ZINC000009395923 569529123 /nfs/dbraw/zinc/52/91/23/569529123.db2.gz GMQXLRMDDXLWMI-UHFFFAOYSA-N 0 0 425.181 4.514 50 0 IJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000009398900 569529272 /nfs/dbraw/zinc/52/92/72/569529272.db2.gz XOIREDQSQGNDDA-UONOGXRCSA-N 0 0 447.963 4.957 50 0 IJAARN COc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000009404041 569529616 /nfs/dbraw/zinc/52/96/16/569529616.db2.gz IHGHHQJBZPFRFC-UHFFFAOYSA-N 0 0 425.457 4.963 50 0 IJAARN COc1ccc(-c2nsc(SCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 ZINC000009404047 569529618 /nfs/dbraw/zinc/52/96/18/569529618.db2.gz DUXKDXNQZHSWPT-UHFFFAOYSA-N 0 0 428.564 4.863 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 ZINC000009404031 569529628 /nfs/dbraw/zinc/52/96/28/569529628.db2.gz VGBNJSMIFVERED-UHFFFAOYSA-N 0 0 433.942 4.766 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4)cn32)C1 ZINC000009406339 569530037 /nfs/dbraw/zinc/53/00/37/569530037.db2.gz BAFAUISUMAXRDV-IBGZPJMESA-N 0 0 447.560 4.940 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000009407720 569530301 /nfs/dbraw/zinc/53/03/01/569530301.db2.gz JGOXQINBBJPJSY-UHFFFAOYSA-N 0 0 431.922 4.811 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408945 569530760 /nfs/dbraw/zinc/53/07/60/569530760.db2.gz PJXBAKDZVSGSIS-UQBPGWFLSA-N 0 0 447.535 4.685 50 0 IJAARN CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 ZINC000009409095 569530912 /nfs/dbraw/zinc/53/09/12/569530912.db2.gz OQEJKVPYEWTCCO-JOCHJYFZSA-N 0 0 425.916 4.796 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1 ZINC000009413603 569531738 /nfs/dbraw/zinc/53/17/38/569531738.db2.gz WOLYFZHMUFIUNV-WJOKGBTCSA-N 0 0 437.565 4.683 50 0 IJAARN CCc1ccc(CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009424940 569533115 /nfs/dbraw/zinc/53/31/15/569533115.db2.gz YXZIUBPXVAYUEU-ZHSJKAEUSA-N 0 0 439.621 4.776 50 0 IJAARN CCc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)cc1 ZINC000009432736 569534445 /nfs/dbraw/zinc/53/44/45/569534445.db2.gz AQWHLKXBKWGHTJ-BJKOFHAPSA-N 0 0 448.588 4.554 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)[C@@H]1c1cccs1 ZINC000009432819 569534449 /nfs/dbraw/zinc/53/44/49/569534449.db2.gz MFBDSJKCAVNWLU-PKTZIBPZSA-N 0 0 448.544 4.517 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2Cl)[C@H]1c1cccs1 ZINC000009432791 569534479 /nfs/dbraw/zinc/53/44/79/569534479.db2.gz ZDGWMSRJHHUECY-LEWJYISDSA-N 0 0 440.952 4.967 50 0 IJAARN COc1ccc(-n2cc(C(=O)N3CC=C(c4ccccc4)CC3)c3ccccc3c2=O)cc1 ZINC000009433755 569534612 /nfs/dbraw/zinc/53/46/12/569534612.db2.gz FDWPFALFYHZZAQ-UHFFFAOYSA-N 0 0 436.511 4.929 50 0 IJAARN O=C(COCc1cc(-c2cccs2)on1)Nc1c(F)cc(F)cc1Br ZINC000009436420 569534929 /nfs/dbraw/zinc/53/49/29/569534929.db2.gz IHJMBVCSBLFDIC-UHFFFAOYSA-N 0 0 429.242 4.599 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2CC(C)C)cc1OC ZINC000009440285 569535184 /nfs/dbraw/zinc/53/51/84/569535184.db2.gz ZCZDLHBKODEAHV-XMMPIXPASA-N 0 0 437.565 4.787 50 0 IJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009443904 569535718 /nfs/dbraw/zinc/53/57/18/569535718.db2.gz FCBUIZUVPKGLPG-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000009443703 569535726 /nfs/dbraw/zinc/53/57/26/569535726.db2.gz IDALMECQXWUHPW-LJQANCHMSA-N 0 0 428.330 4.839 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000009446154 569535884 /nfs/dbraw/zinc/53/58/84/569535884.db2.gz MAAGMSVTZDQZMS-JOCHJYFZSA-N 0 0 446.890 4.904 50 0 IJAARN Cc1c(C)c2cc(Cl)c(OC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2oc1=O ZINC000009451698 569536469 /nfs/dbraw/zinc/53/64/69/569536469.db2.gz AXTJISYDLWAYRW-UHFFFAOYSA-N 0 0 435.904 4.616 50 0 IJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000009459299 569536837 /nfs/dbraw/zinc/53/68/37/569536837.db2.gz GNWGMEBZQIULJM-MRXNPFEDSA-N 0 0 437.920 4.998 50 0 IJAARN C[C@H]1C[C@@H](Sc2nnc(-c3ccccc3Br)n2Cc2ccccc2)C(=O)O1 ZINC000009460278 569536934 /nfs/dbraw/zinc/53/69/34/569536934.db2.gz AXQNEQICQSWDJY-SUMWQHHRSA-N 0 0 444.354 4.552 50 0 IJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)sc2c1 ZINC000009463344 569537417 /nfs/dbraw/zinc/53/74/17/569537417.db2.gz DJSNWZLBKNPZSP-UHFFFAOYSA-N 0 0 432.523 4.820 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000009463888 569537559 /nfs/dbraw/zinc/53/75/59/569537559.db2.gz UETXSZGDPLCZIL-CQSZACIVSA-N 0 0 446.370 4.729 50 0 IJAARN CCOc1cc(Br)c(CSc2nnc(-c3ccncc3)n2C)cc1OCC ZINC000009464169 569537616 /nfs/dbraw/zinc/53/76/16/569537616.db2.gz JIVPCLBUKZAEAU-UHFFFAOYSA-N 0 0 449.374 4.729 50 0 IJAARN CN(C)C(=O)[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009466035 569538064 /nfs/dbraw/zinc/53/80/64/569538064.db2.gz VSOHNBCLVLLPEX-HXUWFJFHSA-N 0 0 449.967 4.904 50 0 IJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009467924 569538567 /nfs/dbraw/zinc/53/85/67/569538567.db2.gz PRVNMICZIRGMCZ-UHFFFAOYSA-N 0 0 437.496 4.679 50 0 IJAARN CCc1ccc(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1 ZINC000009478246 569539340 /nfs/dbraw/zinc/53/93/40/569539340.db2.gz HVCHBPINYYRVIX-UHFFFAOYSA-N 0 0 425.583 4.907 50 0 IJAARN C[C@H]1CCN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c2ccccc2S1 ZINC000009481674 569539464 /nfs/dbraw/zinc/53/94/64/569539464.db2.gz NJRNFAACTMMVFD-LBPRGKRZSA-N 0 0 434.348 4.621 50 0 IJAARN COc1ccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)oc3ccccc3c2=O)cc1 ZINC000009486964 569539633 /nfs/dbraw/zinc/53/96/33/569539633.db2.gz JXUICAACAPQLIK-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000009491063 569540286 /nfs/dbraw/zinc/54/02/86/569540286.db2.gz XLIZAPYBCWMTEO-UHFFFAOYSA-N 0 0 440.565 4.714 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)n2C2CCCCC2)cc1OC ZINC000009493666 569540791 /nfs/dbraw/zinc/54/07/91/569540791.db2.gz AOZGEPDSBZRSRW-INIZCTEOSA-N 0 0 446.617 4.720 50 0 IJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)N(C)Cc1ccccc1 ZINC000009495992 569541143 /nfs/dbraw/zinc/54/11/43/569541143.db2.gz DMQVMXDKNHDUQI-MRXNPFEDSA-N 0 0 431.565 4.901 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Br)ccc1OC ZINC000009496085 569541155 /nfs/dbraw/zinc/54/11/55/569541155.db2.gz GMEXCAKYTVBNEF-LJQANCHMSA-N 0 0 442.313 4.659 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000009497740 569541328 /nfs/dbraw/zinc/54/13/28/569541328.db2.gz CIDLSLCXBLCMTQ-CYBMUJFWSA-N 0 0 428.945 4.926 50 0 IJAARN COc1cc(-n2c(C)nc3cc(C(=O)NCCC4=CCCCC4)ccc32)cc(OC)c1OC ZINC000009500731 569541576 /nfs/dbraw/zinc/54/15/76/569541576.db2.gz UVYQJOYVXIHWBA-UHFFFAOYSA-N 0 0 449.551 4.980 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)cc2)cc1 ZINC000009501903 569541686 /nfs/dbraw/zinc/54/16/86/569541686.db2.gz UZNSFKDYLABMHI-UHFFFAOYSA-N 0 0 449.595 4.840 50 0 IJAARN C[C@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000009506957 569541904 /nfs/dbraw/zinc/54/19/04/569541904.db2.gz LSZDAEPFEOJZBN-NSHDSACASA-N 0 0 442.953 4.819 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)n2)cc1 ZINC000009507187 569541980 /nfs/dbraw/zinc/54/19/80/569541980.db2.gz BBMOGKVZNFICNS-UHFFFAOYSA-N 0 0 431.521 4.823 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1-c1ccccc1 ZINC000009507339 569542026 /nfs/dbraw/zinc/54/20/26/569542026.db2.gz MAWPRXFMBVMMLC-UHFFFAOYSA-N 0 0 446.580 4.790 50 0 IJAARN CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(Cl)c1 ZINC000009508061 569542214 /nfs/dbraw/zinc/54/22/14/569542214.db2.gz RYQNXYFZFINPDR-UHFFFAOYSA-N 0 0 430.961 4.605 50 0 IJAARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000009508510 569542328 /nfs/dbraw/zinc/54/23/28/569542328.db2.gz YHZKUIGGTLXOSF-LIRRHRJNSA-N 0 0 440.594 4.965 50 0 IJAARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(-c2ccco2)cc1 ZINC000009514125 569543169 /nfs/dbraw/zinc/54/31/69/569543169.db2.gz RTBFKJPXJQLABI-UHFFFAOYSA-N 0 0 429.472 4.660 50 0 IJAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009513690 569543172 /nfs/dbraw/zinc/54/31/72/569543172.db2.gz PIYKSJBKJZLESO-UHFFFAOYSA-N 0 0 436.515 4.818 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009515995 569543367 /nfs/dbraw/zinc/54/33/67/569543367.db2.gz FPOLVCGBDUWELN-UHFFFAOYSA-N 0 0 440.590 4.956 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000009517690 569543656 /nfs/dbraw/zinc/54/36/56/569543656.db2.gz DLEDYTLGTYXCRI-UHFFFAOYSA-N 0 0 444.347 4.531 50 0 IJAARN CC(C)(C)c1cc(NC(=O)COc2ccc(Br)cc2Br)on1 ZINC000009532299 569545311 /nfs/dbraw/zinc/54/53/11/569545311.db2.gz VRMHWEWRYOWGQL-UHFFFAOYSA-N 0 0 432.112 4.515 50 0 IJAARN Cc1nc2ccc(NC(=O)c3ccccc3SCC(=O)NCc3ccco3)cc2s1 ZINC000009534209 569545491 /nfs/dbraw/zinc/54/54/91/569545491.db2.gz ILTJEKYJKBKIOJ-UHFFFAOYSA-N 0 0 437.546 4.859 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(F)c(Cl)c1 ZINC000009540220 569545789 /nfs/dbraw/zinc/54/57/89/569545789.db2.gz IDBFOSNVZHVLKA-UHFFFAOYSA-N 0 0 428.272 4.825 50 0 IJAARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000009540439 569545795 /nfs/dbraw/zinc/54/57/95/569545795.db2.gz CYEAGUZOIMLAMG-UHFFFAOYSA-N 0 0 449.671 4.938 50 0 IJAARN Cc1ccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c(C)c1 ZINC000009554046 569546820 /nfs/dbraw/zinc/54/68/20/569546820.db2.gz XMTZXFJJKWDYDN-JLPGSUDCSA-N 0 0 442.540 4.532 50 0 IJAARN CC(C)(C)SCCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009556666 569546846 /nfs/dbraw/zinc/54/68/46/569546846.db2.gz LNRNJQRAILIEEF-QHCPKHFHSA-N 0 0 442.650 4.765 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2cc(C)cc(C)c2)c1S(=O)(=O)c1ccccc1 ZINC000009559027 569546891 /nfs/dbraw/zinc/54/68/91/569546891.db2.gz POUPLLKLBBOLGI-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN CCOc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000009573580 569547910 /nfs/dbraw/zinc/54/79/10/569547910.db2.gz LSBUANZXZOGIED-UHFFFAOYSA-N 0 0 437.507 4.965 50 0 IJAARN C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000009579201 569548463 /nfs/dbraw/zinc/54/84/63/569548463.db2.gz IDRVSLLHQJFKLP-NWDGAFQWSA-N 0 0 449.349 4.731 50 0 IJAARN O=C(COC(=O)c1ccc(Cl)nc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009580102 569548702 /nfs/dbraw/zinc/54/87/02/569548702.db2.gz HBOZGBUAEFCFBJ-KRWDZBQOSA-N 0 0 444.274 4.516 50 0 IJAARN CCC(=O)Nc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1 ZINC000009580270 569548746 /nfs/dbraw/zinc/54/87/46/569548746.db2.gz LBLXDRWLRHLVFA-UHFFFAOYSA-N 0 0 437.546 4.726 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1ccccc1 ZINC000009580470 569548820 /nfs/dbraw/zinc/54/88/20/569548820.db2.gz AMFFRMMZRBLSRO-ROUUACIJSA-N 0 0 444.557 4.740 50 0 IJAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000009591601 569550208 /nfs/dbraw/zinc/55/02/08/569550208.db2.gz QJXBECRZWCSQDW-UHFFFAOYSA-N 0 0 448.416 4.883 50 0 IJAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000009593267 569550424 /nfs/dbraw/zinc/55/04/24/569550424.db2.gz LIBUJDHPQPIDDI-MRXNPFEDSA-N 0 0 432.553 4.843 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H]4CCOC(C)(C)C4)c(=O)oc3c2C)c1C ZINC000070666489 569550644 /nfs/dbraw/zinc/55/06/44/569550644.db2.gz OTUKANUYMRTLGH-KRWDZBQOSA-N 0 0 425.525 4.779 50 0 biogenic IJAARN Cc1cc(CSc2ccccc2C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)no1 ZINC000009596249 569550747 /nfs/dbraw/zinc/55/07/47/569550747.db2.gz OFVAQIOEJPKAGD-UHFFFAOYSA-N 0 0 449.576 4.831 50 0 IJAARN CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000009599599 569551260 /nfs/dbraw/zinc/55/12/60/569551260.db2.gz VLFIDVUKYDUKFP-UHFFFAOYSA-N 0 0 444.503 4.816 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000009603320 569551765 /nfs/dbraw/zinc/55/17/65/569551765.db2.gz SCFJRUMNIPYUSN-HXUWFJFHSA-N 0 0 445.441 4.855 50 0 IJAARN COc1ccccc1-c1nnc(SCc2nnsc2Cl)n1CCc1ccccc1 ZINC000009606556 569551964 /nfs/dbraw/zinc/55/19/64/569551964.db2.gz MFWMNLWDONXXOG-UHFFFAOYSA-N 0 0 443.985 4.994 50 0 IJAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)nn2c1C ZINC000009609769 569552415 /nfs/dbraw/zinc/55/24/15/569552415.db2.gz MXESOZOQQYDBFS-UHFFFAOYSA-N 0 0 444.535 4.992 50 0 IJAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccccc4F)c(C)n3n2)c(OC)c1 ZINC000009609979 569552487 /nfs/dbraw/zinc/55/24/87/569552487.db2.gz WTBPMTZVBOQFCE-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN O=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2cc3c(cc2c1=O)OCCO3 ZINC000009610724 569552588 /nfs/dbraw/zinc/55/25/88/569552588.db2.gz PBJLFLHEMKQVEY-UHFFFAOYSA-N 0 0 431.875 4.705 50 0 IJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 ZINC000009610754 569552653 /nfs/dbraw/zinc/55/26/53/569552653.db2.gz OWAOGRVQXYTNIP-UHFFFAOYSA-N 0 0 431.875 4.971 50 0 IJAARN C[C@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000009612714 569552926 /nfs/dbraw/zinc/55/29/26/569552926.db2.gz GIUTYVKLWFVPMM-OVKUEFIVSA-N 0 0 445.774 4.920 50 0 IJAARN CCOc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000009613572 569553022 /nfs/dbraw/zinc/55/30/22/569553022.db2.gz IOAYNVNYOYYGMI-UHFFFAOYSA-N 0 0 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569566826 /nfs/dbraw/zinc/56/68/26/569566826.db2.gz OJUIFBFADHXLOJ-UHFFFAOYSA-N 0 0 427.508 4.851 50 0 IJAARN CCCCCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2nc1SCC(=O)C(C)(C)C ZINC000009775447 569567027 /nfs/dbraw/zinc/56/70/27/569567027.db2.gz XPKXPIPWJWHQPI-UHFFFAOYSA-N 0 0 443.613 4.530 50 0 IJAARN Clc1ccccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1N1CCCC1 ZINC000009780336 569567450 /nfs/dbraw/zinc/56/74/50/569567450.db2.gz NSEIESPSEILGPT-UHFFFAOYSA-N 0 0 444.973 4.925 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009788777 569567929 /nfs/dbraw/zinc/56/79/29/569567929.db2.gz IVNZCOZJTSCHHA-OAQYLSRUSA-N 0 0 439.537 4.859 50 0 IJAARN Cc1oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)ccc2c(=O)c1-c1ccccc1 ZINC000009789854 569568161 /nfs/dbraw/zinc/56/81/61/569568161.db2.gz MIRKKBPIUIWAOU-UHFFFAOYSA-N 0 0 429.428 4.515 50 0 IJAARN Cc1ccc(-n2cnnc2SCC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000009797613 569568514 /nfs/dbraw/zinc/56/85/14/569568514.db2.gz RKCVNQOSNDUKDG-UHFFFAOYSA-N 0 0 428.561 4.882 50 0 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COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)n2C[C@@H]2CCCO2)cc1 ZINC000009953237 569574709 /nfs/dbraw/zinc/57/47/09/569574709.db2.gz LWYCJOLLOBURAU-QFIPXVFZSA-N 0 0 449.576 4.596 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(Br)cc1 ZINC000071326368 569574779 /nfs/dbraw/zinc/57/47/79/569574779.db2.gz OILDGVKBLLZZGA-UHFFFAOYSA-N 0 0 437.750 4.936 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)cc2OC)c1 ZINC000009958664 569574915 /nfs/dbraw/zinc/57/49/15/569574915.db2.gz NTYOVKAMCWVDEB-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(F)cc2)c1 ZINC000009959088 569575054 /nfs/dbraw/zinc/57/50/54/569575054.db2.gz XWIZHMNHMNMGAA-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN Cc1cccn2c(=O)cc(COC(=O)C3(Cc4nc5ccccc5s4)CCCCC3)nc12 ZINC000009960238 569575369 /nfs/dbraw/zinc/57/53/69/569575369.db2.gz AZUUFOCSCNQVMQ-UHFFFAOYSA-N 0 0 447.560 4.849 50 0 IJAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000071328003 569575487 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COc1cccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(C)cc3)nc3ccccc3c2=O)c1 ZINC000010085035 569577720 /nfs/dbraw/zinc/57/77/20/569577720.db2.gz WTIXKPBKUJBRMY-KRWDZBQOSA-N 0 0 445.544 4.822 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000010109590 569577921 /nfs/dbraw/zinc/57/79/21/569577921.db2.gz SFZMVWHONSOLBC-IFMALSPDSA-N 0 0 447.608 4.662 50 0 IJAARN COc1ccc2oc(-c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)nc2c1 ZINC000010128931 569578020 /nfs/dbraw/zinc/57/80/20/569578020.db2.gz ZIEULMCHWPTHKO-UHFFFAOYSA-N 0 0 434.448 4.782 50 0 IJAARN CC(C)c1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1 ZINC000010186865 569578462 /nfs/dbraw/zinc/57/84/62/569578462.db2.gz BWWDPTMOFQHAMU-UHFFFAOYSA-N 0 0 449.623 4.521 50 0 IJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000010187518 569578602 /nfs/dbraw/zinc/57/86/02/569578602.db2.gz BEAYRTUGDDVBRM-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN COc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000010233047 569579442 /nfs/dbraw/zinc/57/94/42/569579442.db2.gz HKWMSNHEDDEFGQ-GOSISDBHSA-N 0 0 438.892 4.970 50 0 IJAARN Cc1nc2c(ccc3nc(NC(=O)c4cccc(S(=O)(=O)C(C)C)c4)sc32)s1 ZINC000010253422 569579942 /nfs/dbraw/zinc/57/99/42/569579942.db2.gz NFDKVSKNIGCFEP-UHFFFAOYSA-N 0 0 431.564 4.649 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000010286909 569580519 /nfs/dbraw/zinc/58/05/19/569580519.db2.gz IJSNFJAQOJGIBB-UHFFFAOYSA-N 0 0 425.517 4.816 50 0 IJAARN c1ccc(Cn2c(CN3CCCCC3)nnc2SCc2nnc(-c3ccccc3)o2)cc1 ZINC000010287763 569580560 /nfs/dbraw/zinc/58/05/60/569580560.db2.gz QRIVOKJVXBFGDZ-UHFFFAOYSA-N 0 0 446.580 4.655 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 ZINC000071768941 569580852 /nfs/dbraw/zinc/58/08/52/569580852.db2.gz STWDOFCCWPQIRS-UHFFFAOYSA-N 0 0 439.943 4.587 50 0 IJAARN Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nnnn4[C@H](c4cccnc4)C32)cc1 ZINC000010337110 569581202 /nfs/dbraw/zinc/58/12/02/569581202.db2.gz CBRPUTDLGOPJBF-RTWAWAEBSA-N 0 0 449.301 4.935 50 0 IJAARN CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 ZINC000010380435 569581648 /nfs/dbraw/zinc/58/16/48/569581648.db2.gz AHEBGDUNKHAXHW-UHFFFAOYSA-N 0 0 434.565 4.619 50 0 IJAARN Cc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010381607 569581692 /nfs/dbraw/zinc/58/16/92/569581692.db2.gz RDHJJCRLJJLTNF-UHFFFAOYSA-N 0 0 448.548 4.618 50 0 IJAARN CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000010381572 569581725 /nfs/dbraw/zinc/58/17/25/569581725.db2.gz UMBRDDJVBZLSKF-UHFFFAOYSA-N 0 0 448.548 4.564 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc(F)c(F)c1 ZINC000010433574 569582101 /nfs/dbraw/zinc/58/21/01/569582101.db2.gz ZDWUWIKVTKNWMJ-UHFFFAOYSA-N 0 0 425.822 4.634 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC1CC1 ZINC000036115976 569587866 /nfs/dbraw/zinc/58/78/66/569587866.db2.gz HVJQAHKZWZQVEN-FQEVSTJZSA-N 0 0 447.000 4.555 50 0 IJAARN CCOc1cccc(C=C2SC(Nc3cccc(Cl)c3)=C(C(=O)OC)C2=O)c1O ZINC000036257278 569588000 /nfs/dbraw/zinc/58/80/00/569588000.db2.gz KBDHWAWYRAIQQD-MHWRWJLKSA-N 0 0 431.897 4.598 50 0 IJAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000001088241 291391322 /nfs/dbraw/zinc/39/13/22/291391322.db2.gz STCNMTGIWWHTHT-UHFFFAOYSA-N 0 0 446.528 4.686 50 0 IJAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 ZINC000000636804 193866022 /nfs/dbraw/zinc/86/60/22/193866022.db2.gz LYBIXUFTHIORMC-SNVBAGLBSA-N 0 0 428.337 4.984 50 0 IJAARN O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc(OCc2ccccc2)cc1 ZINC000000639211 193866698 /nfs/dbraw/zinc/86/66/98/193866698.db2.gz GUGYPBUGIUBMBK-UHFFFAOYSA-N 0 0 437.293 4.694 50 0 IJAARN CCc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccncc2)cc1 ZINC000000663936 193877375 /nfs/dbraw/zinc/87/73/75/193877375.db2.gz QJBVTEFDQVLBEI-QZTJIDSGSA-N 0 0 435.597 4.773 50 0 IJAARN COc1ccc(C(=O)NC(=S)c2c(C)c(CCc3ccccn3)n3ccccc23)cc1 ZINC000006182646 193888985 /nfs/dbraw/zinc/88/89/85/193888985.db2.gz SZJPRMPWQCZPBF-UHFFFAOYSA-N 0 0 429.545 4.542 50 0 IJAARN COc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)c(C)c3)c2c1 ZINC000009847502 193905537 /nfs/dbraw/zinc/90/55/37/193905537.db2.gz WPDNRCKJJDKZNP-UHFFFAOYSA-N 0 0 431.513 4.924 50 0 IJAARN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3ccco3)CC2)c1 ZINC000009847678 193905941 /nfs/dbraw/zinc/90/59/41/193905941.db2.gz DAADQPBVMQEVLJ-UHFFFAOYSA-N 0 0 428.536 4.519 50 0 IJAARN CSc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1 ZINC000019760104 193912680 /nfs/dbraw/zinc/91/26/80/193912680.db2.gz ORJRBJQQCNDIMI-UHFFFAOYSA-N 0 0 436.556 4.855 50 0 IJAARN O=C(COc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1 ZINC000096276994 193952783 /nfs/dbraw/zinc/95/27/83/193952783.db2.gz YFIGLIZATXDGAI-NRFANRHFSA-N 0 0 433.895 4.869 50 0 IJAARN O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000009569252 132231964 /nfs/dbraw/zinc/23/19/64/132231964.db2.gz DFEFXHCMMQBARM-UHFFFAOYSA-N 0 0 432.501 4.827 50 0 IJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000009512381 132232277 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IJAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC3(CC2)OCCO3)cc1 ZINC000001447523 132245605 /nfs/dbraw/zinc/24/56/05/132245605.db2.gz XSIVREZXRVTFPC-UHFFFAOYSA-N 0 0 430.483 4.570 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000002214643 132249068 /nfs/dbraw/zinc/24/90/68/132249068.db2.gz CHOOEGNIDWRQFS-UHFFFAOYSA-N 0 0 437.902 4.694 50 0 IJAARN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1sc2ccccc2c1Cl ZINC000002223896 132249215 /nfs/dbraw/zinc/24/92/15/132249215.db2.gz QUQQLSIQZGXCRD-UHFFFAOYSA-N 0 0 431.970 4.518 50 0 IJAARN Cc1cc(C)nc(SCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000002487885 132254852 /nfs/dbraw/zinc/25/48/52/132254852.db2.gz GRZXZMDMXIISII-UHFFFAOYSA-N 0 0 437.546 4.558 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)c1 ZINC000002924116 132258775 /nfs/dbraw/zinc/25/87/75/132258775.db2.gz YCYWUYIWVBOEDI-UHFFFAOYSA-N 0 0 426.542 4.568 50 0 IJAARN C[C@@H](C(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000003134698 132261875 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IJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000008133173 132280916 /nfs/dbraw/zinc/28/09/16/132280916.db2.gz BSKAJVRWTLRACS-NRFANRHFSA-N 0 0 429.564 4.649 50 0 IJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000008133156 132280937 /nfs/dbraw/zinc/28/09/37/132280937.db2.gz HKKRXFZASFYDGD-SANMLTNESA-N 0 0 429.564 4.643 50 0 IJAARN Cc1ccc(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c(C)c1 ZINC000008826255 132295249 /nfs/dbraw/zinc/29/52/49/132295249.db2.gz SNDDWPYORPMSFF-UHFFFAOYSA-N 0 0 431.945 4.690 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc(OC(C)=O)cc3)cc2)CC1 ZINC000009097292 132303012 /nfs/dbraw/zinc/30/30/12/132303012.db2.gz OZSYTWKMNYAWBT-UHFFFAOYSA-N 0 0 444.531 4.640 50 0 IJAARN O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000009130884 132306220 /nfs/dbraw/zinc/30/62/20/132306220.db2.gz VDNMLRGWAHXXLV-UHFFFAOYSA-N 0 0 445.544 4.817 50 0 IJAARN O=C([C@H]1CN(c2nc(C(F)(F)F)nc3ccccc32)c2ccccc2O1)N1CCCCC1 ZINC000009209277 132308776 /nfs/dbraw/zinc/30/87/76/132308776.db2.gz OSNXFMMCNVAFRU-LJQANCHMSA-N 0 0 442.441 4.560 50 0 IJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(F)cccc1F ZINC000009250420 132310794 /nfs/dbraw/zinc/31/07/94/132310794.db2.gz BTIMQQVACAWJFZ-UHFFFAOYSA-N 0 0 442.487 4.903 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)N3C[C@@H](C)Oc4ccc(Cl)cc43)CC2)cc1 ZINC000009405853 132315172 /nfs/dbraw/zinc/31/51/72/132315172.db2.gz WZYHGAFULSWZHM-MRXNPFEDSA-N 0 0 427.932 4.706 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)c1 ZINC000009499840 132319562 /nfs/dbraw/zinc/31/95/62/132319562.db2.gz NHNLWSUNDXWMJG-UHFFFAOYSA-N 0 0 440.569 4.814 50 0 IJAARN CCCCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000009505018 132319638 /nfs/dbraw/zinc/31/96/38/132319638.db2.gz NHBLZCOOKDOONB-UHFFFAOYSA-N 0 0 437.613 4.589 50 0 IJAARN C[C@@H]1CCC[C@@H](C)N1c1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000009554219 132321320 /nfs/dbraw/zinc/32/13/20/132321320.db2.gz VYVJPUFMJWRUMD-NHCUHLMSSA-N 0 0 444.583 4.945 50 0 IJAARN C[C@H]1CCC[C@H](C)N1c1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000009554218 132321356 /nfs/dbraw/zinc/32/13/56/132321356.db2.gz VYVJPUFMJWRUMD-SFTDATJTSA-N 0 0 444.583 4.945 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccc(Cl)c1 ZINC000009569409 132321815 /nfs/dbraw/zinc/32/18/15/132321815.db2.gz TULLAROCKPVELS-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCc3ccc(F)cc3)cc12 ZINC000009597988 132322773 /nfs/dbraw/zinc/32/27/73/132322773.db2.gz JPCLEVUNKJNZNF-UHFFFAOYSA-N 0 0 448.542 4.708 50 0 IJAARN O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009601642 132323028 /nfs/dbraw/zinc/32/30/28/132323028.db2.gz BPOYQRCOEWOPIV-UHFFFAOYSA-N 0 0 447.510 4.686 50 0 IJAARN Cc1cc(C)n2c(nnc2SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 ZINC000009645840 132324750 /nfs/dbraw/zinc/32/47/50/132324750.db2.gz JGIGFPHEDMZKLN-IBGZPJMESA-N 0 0 447.589 4.713 50 0 IJAARN Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4SC[C@H]3c3ccccc3)nc2n1 ZINC000009646378 132324773 /nfs/dbraw/zinc/32/47/73/132324773.db2.gz UJGIMJDQMLGCNC-IBGZPJMESA-N 0 0 447.589 4.713 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCc3ccccc3)C2=O)cc1 ZINC000009692921 132326238 /nfs/dbraw/zinc/32/62/38/132326238.db2.gz BEETXQCEKCRPNS-YADARESESA-N 0 0 430.573 4.955 50 0 IJAARN COc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000009708824 132326667 /nfs/dbraw/zinc/32/66/67/132326667.db2.gz UHFKXFKZEMVTSX-UHFFFAOYSA-N 0 0 447.326 4.511 50 0 IJAARN Fc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1Cl ZINC000009762065 132328471 /nfs/dbraw/zinc/32/84/71/132328471.db2.gz WJWDSXSCQWAYDU-UHFFFAOYSA-N 0 0 435.290 4.641 50 0 IJAARN CCCC[C@H](CC)CNC(=O)C[C@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009851255 132330274 /nfs/dbraw/zinc/33/02/74/132330274.db2.gz XSKBTAGHMZWEOP-PMACEKPBSA-N 0 0 436.040 4.738 50 0 IJAARN CCCC[C@H](CC)CNC(=O)C[C@@H](C)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009851250 132330281 /nfs/dbraw/zinc/33/02/81/132330281.db2.gz XSKBTAGHMZWEOP-UXHICEINSA-N 0 0 436.040 4.738 50 0 IJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)sc3c2c1 ZINC000009882186 132330797 /nfs/dbraw/zinc/33/07/97/132330797.db2.gz CERXZKRRVUYFPP-UHFFFAOYSA-N 0 0 431.561 4.630 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000010013074 132334017 /nfs/dbraw/zinc/33/40/17/132334017.db2.gz OCWHEEQCKNMAPW-UHFFFAOYSA-N 0 0 426.520 4.641 50 0 IJAARN CC(=O)c1ccc(N2CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)cc1 ZINC000013059662 132343658 /nfs/dbraw/zinc/34/36/58/132343658.db2.gz QXFQSZWRWQUZRT-UHFFFAOYSA-N 0 0 440.758 4.610 50 0 IJAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c(Br)c1 ZINC000013101400 132344548 /nfs/dbraw/zinc/34/45/48/132344548.db2.gz QZSWDOBWOGVWEV-UHFFFAOYSA-N 0 0 449.364 4.613 50 0 IJAARN CCOc1ccccc1N1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)CC1 ZINC000013120133 132345199 /nfs/dbraw/zinc/34/51/99/132345199.db2.gz MHHGBPHJCFJUIH-IHWFROFDSA-N 0 0 446.682 4.737 50 0 IJAARN O=C1CN(c2ccccc2F)C(=O)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000013591886 132351308 /nfs/dbraw/zinc/35/13/08/132351308.db2.gz PNWAYIGHPKRQAW-OAQYLSRUSA-N 0 0 439.284 4.709 50 0 IJAARN CC(=O)c1c(OS(=O)(=O)c2ccccc2-c2ccccc2)ccc2c(C)cc(=O)oc21 ZINC000024760178 518243015 /nfs/dbraw/zinc/24/30/15/518243015.db2.gz WTDOXNGOEDVPBV-UHFFFAOYSA-N 0 0 434.469 4.739 50 0 IJAARN CC(=O)c1cc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n(C)c1 ZINC000016540269 518274988 /nfs/dbraw/zinc/27/49/88/518274988.db2.gz AHDOXRALHGYNGU-HXUWFJFHSA-N 0 0 444.409 4.783 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCSc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)cc1 ZINC000012523570 518356993 /nfs/dbraw/zinc/35/69/93/518356993.db2.gz YSOBKZNNRCHARL-GFCCVEGCSA-N 0 0 440.594 4.722 50 0 IJAARN CC(=O)c1cccc(NC(=O)COc2cc(N3CCOCC3)c3ccccc3c2Cl)c1 ZINC000012380245 518429091 /nfs/dbraw/zinc/42/90/91/518429091.db2.gz QCGZQCWTKDHUPX-UHFFFAOYSA-N 0 0 438.911 4.550 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)cn2N)c2ccccc2)c1 ZINC000008862411 518439006 /nfs/dbraw/zinc/43/90/06/518439006.db2.gz ZOMDEHPBMAMPFB-QHCPKHFHSA-N 0 0 442.544 4.939 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000012925698 518556840 /nfs/dbraw/zinc/55/68/40/518556840.db2.gz WFYDTAFHKNADRW-QGZVFWFLSA-N 0 0 445.606 4.976 50 0 IJAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O ZINC000021937045 519419874 /nfs/dbraw/zinc/41/98/74/519419874.db2.gz PALHFVRERVIRDK-IFXJQAMLSA-N 0 0 438.528 4.591 50 0 IJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)s1 ZINC000033011292 519466092 /nfs/dbraw/zinc/46/60/92/519466092.db2.gz OUIJFAQTSYWPIM-KRWDZBQOSA-N 0 0 436.581 4.740 50 0 IJAARN CC(C)C(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034905600 519476574 /nfs/dbraw/zinc/47/65/74/519476574.db2.gz IFLIKWSGFPLGAM-UHFFFAOYSA-N 0 0 443.613 4.659 50 0 IJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(Cc2cccc(F)c2)C(=O)c2ccco2)c1 ZINC000035946305 519522741 /nfs/dbraw/zinc/52/27/41/519522741.db2.gz ZHAVGEZUXGHRCB-UHFFFAOYSA-N 0 0 437.515 4.922 50 0 IJAARN CC(C)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)Cc1cccs1 ZINC000035771133 519635070 /nfs/dbraw/zinc/63/50/70/519635070.db2.gz HJFDXNDAKOCVCR-UHFFFAOYSA-N 0 0 444.597 4.957 50 0 IJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000021858495 519659874 /nfs/dbraw/zinc/65/98/74/519659874.db2.gz BPYRTDDWAYLUFT-HHHXNRCGSA-N 0 0 431.580 4.651 50 0 IJAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1C1CCCCC1 ZINC000021911867 519661326 /nfs/dbraw/zinc/66/13/26/519661326.db2.gz PNYOWCBPZHRPPA-JOCHJYFZSA-N 0 0 427.614 4.649 50 0 IJAARN CC(C)CCNC(=O)[C@H]1c2c3ccccc3n(C)c2SCC(=O)N1c1ccc(F)cc1 ZINC000021911601 519661486 /nfs/dbraw/zinc/66/14/86/519661486.db2.gz NFIXFWHORRORHA-JOCHJYFZSA-N 0 0 439.556 4.660 50 0 IJAARN CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)s1 ZINC000023274352 519675130 /nfs/dbraw/zinc/67/51/30/519675130.db2.gz IJYAOWHXIUUZDP-UHFFFAOYSA-N 0 0 444.582 4.716 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000020853176 519706707 /nfs/dbraw/zinc/70/67/07/519706707.db2.gz WSDKOEIMJSAPAC-UHFFFAOYSA-N 0 0 436.508 4.691 50 0 IJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)C1 ZINC000033264397 519710309 /nfs/dbraw/zinc/71/03/09/519710309.db2.gz HOBVRQAFXGJSFB-HSZRJFAPSA-N 0 0 437.584 4.701 50 0 IJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(F)c(Cl)c3)c2)C1 ZINC000033264308 519710428 /nfs/dbraw/zinc/71/04/28/519710428.db2.gz ZEXDADJZHJPEHR-IBGZPJMESA-N 0 0 431.939 4.707 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000012852090 519819936 /nfs/dbraw/zinc/81/99/36/519819936.db2.gz NRCPQHDMBDMJDP-IBGZPJMESA-N 0 0 436.581 4.896 50 0 IJAARN CC(C)c1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCc3ccccn3)cc2)n1 ZINC000036049742 519833147 /nfs/dbraw/zinc/83/31/47/519833147.db2.gz DDALSNDRXYDPTQ-UHFFFAOYSA-N 0 0 447.608 4.818 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000035398034 519836122 /nfs/dbraw/zinc/83/61/22/519836122.db2.gz GHTAWLKFHSABOZ-JOCHJYFZSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)c1ccc(N(Cc2cccc(Cl)c2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000020867372 519836629 /nfs/dbraw/zinc/83/66/29/519836629.db2.gz VXXNGHGTNBIYHR-UXHICEINSA-N 0 0 435.014 4.738 50 0 IJAARN CC(C)c1ccccc1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022933250 519845016 /nfs/dbraw/zinc/84/50/16/519845016.db2.gz QDLBBUGEAYOANT-UHFFFAOYSA-N 0 0 434.609 4.690 50 0 IJAARN CCCC(=O)N[C@@H](Nc1sc2c(c1C(=O)OCC)CCCC2)C(Cl)(Cl)Cl ZINC000002667028 519874857 /nfs/dbraw/zinc/87/48/57/519874857.db2.gz SWISHVFGUBNDLS-INIZCTEOSA-N 0 0 441.808 4.828 50 0 IJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C[C@@H]1CCCO1)C(=O)C1CCCC1 ZINC000035972286 519881471 /nfs/dbraw/zinc/88/14/71/519881471.db2.gz CWJSXNWFHNYOMH-QFIPXVFZSA-N 0 0 438.616 4.760 50 0 IJAARN CCCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000035980843 519883356 /nfs/dbraw/zinc/88/33/56/519883356.db2.gz IWEUASQONAWBFO-UHFFFAOYSA-N 0 0 434.540 4.972 50 0 IJAARN CCCCC(=O)N1CCCN(c2nc(CC(C)C)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912679 519907081 /nfs/dbraw/zinc/90/70/81/519907081.db2.gz ZVNADLFEWLJKTQ-UHFFFAOYSA-N 0 0 448.615 4.551 50 0 IJAARN CCN(C(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C)c1ccccc1 ZINC000033262618 519920736 /nfs/dbraw/zinc/92/07/36/519920736.db2.gz YOFZDXHEZVPTAZ-UHFFFAOYSA-N 0 0 435.574 4.807 50 0 IJAARN CCCCCC(=O)Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 ZINC000035924525 519940187 /nfs/dbraw/zinc/94/01/87/519940187.db2.gz VNQVAPILXUJWGP-UHFFFAOYSA-N 0 0 428.377 4.794 50 0 IJAARN CCCOC(=O)c1ccc(N2C(=O)c3sc4nc(C)cc(COC)c4c3N[C@@H]2C)cc1 ZINC000021169331 520221085 /nfs/dbraw/zinc/22/10/85/520221085.db2.gz GVMAAMWIDMVPAK-AWEZNQCLSA-N 0 0 439.537 4.736 50 0 IJAARN CCCOc1c(Br)cc(C(=O)Nc2ccccc2N2CCCC2=O)cc1OC ZINC000012897673 520290293 /nfs/dbraw/zinc/29/02/93/520290293.db2.gz HBQPSJSWJKTMCL-UHFFFAOYSA-N 0 0 447.329 4.626 50 0 IJAARN CCCOc1ccc(NC(=O)NCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OCCC ZINC000012930284 520392364 /nfs/dbraw/zinc/39/23/64/520392364.db2.gz KGHDUDLWGPSHOH-INIZCTEOSA-N 0 0 447.963 4.917 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OC ZINC000021725525 520422780 /nfs/dbraw/zinc/42/27/80/520422780.db2.gz JIOSTHIKNRLJSD-HNNXBMFYSA-N 0 0 434.521 4.754 50 0 IJAARN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012208230 520466386 /nfs/dbraw/zinc/46/63/86/520466386.db2.gz ZUYZTFRBQRVVKY-UHFFFAOYSA-N 0 0 437.506 4.940 50 0 IJAARN CCO[C@H](C)c1noc(CN2CCC[C@H]2c2nc(-c3ccccc3C(F)(F)F)c[nH]2)n1 ZINC000252674231 520492212 /nfs/dbraw/zinc/49/22/12/520492212.db2.gz RVKRKRSPEZAAIH-DYVFJYSZSA-N 0 0 435.450 4.913 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1c(Cl)cccc1Cl ZINC000012859300 520532129 /nfs/dbraw/zinc/53/21/29/520532129.db2.gz ASHRJXHDUYDCTK-OAHLLOKOSA-N 0 0 448.327 4.826 50 0 IJAARN CCCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020903195 520566140 /nfs/dbraw/zinc/56/61/40/520566140.db2.gz SQWJHEGPSWOJJA-RUZDIDTESA-N 0 0 425.573 4.504 50 0 IJAARN CCOc1c(Cl)cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000012737697 520595418 /nfs/dbraw/zinc/59/54/18/520595418.db2.gz PFIXNLTWNIULIE-UHFFFAOYSA-N 0 0 427.932 4.822 50 0 IJAARN CCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085638 520683343 /nfs/dbraw/zinc/68/33/43/520683343.db2.gz QXCQQFDWDIHKLP-UHFFFAOYSA-N 0 0 430.508 4.839 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1oc2ccc(F)cc2c1C ZINC000020675166 520750246 /nfs/dbraw/zinc/75/02/46/520750246.db2.gz NQFRULVPPMSNCN-UHFFFAOYSA-N 0 0 442.487 4.767 50 0 IJAARN CCCCOCCOCCSCCSCCSCCOCCOCCCC ZINC000016639123 520789356 /nfs/dbraw/zinc/78/93/56/520789356.db2.gz ZKHWKUMYVRXVRW-UHFFFAOYSA-N 0 0 442.753 4.853 50 0 IJAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(=O)OC)cc1)N(c1ccccc1)C(=O)C2 ZINC000021169039 520798668 /nfs/dbraw/zinc/79/86/68/520798668.db2.gz HZACTADGRQNYQF-AREMUKBSSA-N 0 0 445.515 4.949 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C)ccc2C(C)C)c(NC(=O)COC)c1 ZINC000022846024 520807029 /nfs/dbraw/zinc/80/70/29/520807029.db2.gz GDTSEKVGYXICRX-UHFFFAOYSA-N 0 0 448.585 4.526 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(NC(=O)CCC3CCCC3)c2)NC(=O)N1C ZINC000035707585 520816765 /nfs/dbraw/zinc/81/67/65/520816765.db2.gz ANGPSYXOJXMYAT-QFIPXVFZSA-N 0 0 427.545 4.517 50 0 IJAARN CCOc1ccc(-n2cc(C(=O)OCCOc3ccccc3)c3ccccc3c2=O)cc1 ZINC000021359975 520836982 /nfs/dbraw/zinc/83/69/82/520836982.db2.gz PDNZNBDCEOISKG-UHFFFAOYSA-N 0 0 429.472 4.625 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C)c1ccccc1 ZINC000020995837 520840810 /nfs/dbraw/zinc/84/08/10/520840810.db2.gz XKUCMYZNHBPBOS-RUZDIDTESA-N 0 0 447.579 4.955 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3C)N2C1=O ZINC000021936220 520894009 /nfs/dbraw/zinc/89/40/09/520894009.db2.gz YWERSVVMNOFWCJ-PMACEKPBSA-N 0 0 434.565 4.904 50 0 IJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000021944504 520904296 /nfs/dbraw/zinc/90/42/96/520904296.db2.gz YVNUHDWWGNAGNI-UHFFFAOYSA-N 0 0 444.535 4.532 50 0 biogenic IJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2cccs2)CC1 ZINC000021808623 520953578 /nfs/dbraw/zinc/95/35/78/520953578.db2.gz VGADNRYPFDQPGD-NCOUDYQVSA-N 0 0 441.622 4.874 50 0 IJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(OC)c3)c(C)c2C(=O)[O-])cc1 ZINC000015777100 520955059 /nfs/dbraw/zinc/95/50/59/520955059.db2.gz UPOZKDCOPOATIU-UHFFFAOYSA-N 0 0 436.552 4.591 50 0 IJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 ZINC000012600260 520976192 /nfs/dbraw/zinc/97/61/92/520976192.db2.gz FGXDBYYURCRTOU-MRXNPFEDSA-N 0 0 433.961 4.710 50 0 IJAARN CCCCSc1nnc2n1c1ccsc1c(=O)n2Cc1ccc(OCCC)cc1 ZINC000035529720 520981504 /nfs/dbraw/zinc/98/15/04/520981504.db2.gz KDNDBMCKSKJHHI-UHFFFAOYSA-N 0 0 428.583 4.835 50 0 IJAARN CCOc1ccc(CNC(=O)CCc2ccc3nc(NC(=O)C(C)C)sc3c2)cc1 ZINC000021353317 520983823 /nfs/dbraw/zinc/98/38/23/520983823.db2.gz QKRYHOSFAJYDET-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(OC)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000012411853 521038267 /nfs/dbraw/zinc/03/82/67/521038267.db2.gz PAVCEZHIBWPWDU-XMMPIXPASA-N 0 0 426.476 4.629 50 0 IJAARN CCOc1ccc(N2C[C@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034916872 521043092 /nfs/dbraw/zinc/04/30/92/521043092.db2.gz FCKLCBSSJUBGKG-XMMPIXPASA-N 0 0 442.559 4.710 50 0 IJAARN CCC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000035975797 521088964 /nfs/dbraw/zinc/08/89/64/521088964.db2.gz CDCUVGOHWZYQDG-UHFFFAOYSA-N 0 0 425.504 4.751 50 0 IJAARN CCOc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1 ZINC000033258663 521118768 /nfs/dbraw/zinc/11/87/68/521118768.db2.gz XZTRDLIJGPSEMO-UHFFFAOYSA-N 0 0 429.480 4.759 50 0 IJAARN CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000035684028 521167245 /nfs/dbraw/zinc/16/72/45/521167245.db2.gz IWINWYPCXPPEDK-DEOSSOPVSA-N 0 0 447.560 4.884 50 0 IJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(OC)cc2)c1 ZINC000021106704 521170678 /nfs/dbraw/zinc/17/06/78/521170678.db2.gz ZRYDUHHAMABVTN-DEOSSOPVSA-N 0 0 433.508 4.654 50 0 IJAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000012575190 521181790 /nfs/dbraw/zinc/18/17/90/521181790.db2.gz OZLWRIWPQUTJGX-XMMPIXPASA-N 0 0 442.943 4.963 50 0 IJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCc4ccc(CC)cc4)ccc3[nH]2)cc1 ZINC000015863803 521203971 /nfs/dbraw/zinc/20/39/71/521203971.db2.gz VHCGPUFDGZZIHW-UHFFFAOYSA-N 0 0 440.547 4.995 50 0 IJAARN CCC(=O)Nc1nc2cc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)ccc2s1 ZINC000033261491 521230784 /nfs/dbraw/zinc/23/07/84/521230784.db2.gz QPHYBTVFTWOBEK-UHFFFAOYSA-N 0 0 435.509 4.575 50 0 IJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936376 521254490 /nfs/dbraw/zinc/25/44/90/521254490.db2.gz YQGCIELQCIHSNI-FZKQIMNGSA-N 0 0 440.956 4.859 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1OCC ZINC000021725597 521271698 /nfs/dbraw/zinc/27/16/98/521271698.db2.gz CYNFNJHNMGUZRH-OAHLLOKOSA-N 0 0 434.521 4.754 50 0 IJAARN CCCCc1ccc(NC(=O)c2sc3ncn(Cc4ccncc4)c(=O)c3c2C)cc1 ZINC000035672018 521283561 /nfs/dbraw/zinc/28/35/61/521283561.db2.gz XXKOAEMCGQVXRM-UHFFFAOYSA-N 0 0 432.549 4.805 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(F)ccc3F)sc2c1 ZINC000021660938 521297372 /nfs/dbraw/zinc/29/73/72/521297372.db2.gz LYORHMPMFZQKBP-OAHLLOKOSA-N 0 0 440.475 4.941 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccs4)CC2)n1)CCCC3 ZINC000035864968 521314260 /nfs/dbraw/zinc/31/42/60/521314260.db2.gz QSCYEHWHADVNMN-UHFFFAOYSA-N 0 0 440.638 4.937 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000033122054 521336342 /nfs/dbraw/zinc/33/63/42/521336342.db2.gz RWPULSKTDDAWEU-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2cccc(F)c2)cc1 ZINC000033122083 521336536 /nfs/dbraw/zinc/33/65/36/521336536.db2.gz KCQPJBMJOOVCLK-UHFFFAOYSA-N 0 0 435.528 4.857 50 0 IJAARN CCCc1cc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)[nH]n1 ZINC000012200208 521364552 /nfs/dbraw/zinc/36/45/52/521364552.db2.gz ICKQDSSVIHZIRG-UHFFFAOYSA-N 0 0 443.551 4.635 50 0 IJAARN CCN(Cc1ccccc1)c1nc(CNC(=O)Cc2cccc(OC)c2)nc2ccccc21 ZINC000014965926 521376549 /nfs/dbraw/zinc/37/65/49/521376549.db2.gz ADSBOOQJGPRQLT-UHFFFAOYSA-N 0 0 440.547 4.524 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(CC)C(=O)c2ccccc2Cl)c(C)n1CC ZINC000036027450 521388195 /nfs/dbraw/zinc/38/81/95/521388195.db2.gz JCDTVTMXJKTKPZ-MRXNPFEDSA-N 0 0 432.948 4.688 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000022979844 521392198 /nfs/dbraw/zinc/39/21/98/521392198.db2.gz WRTSQSAZKANQIY-UHFFFAOYSA-N 0 0 448.541 4.897 50 0 IJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nnnn1-c1c(C)cccc1C ZINC000021542041 521393457 /nfs/dbraw/zinc/39/34/57/521393457.db2.gz RBDNXNBXSNOWFW-UHFFFAOYSA-N 0 0 433.537 4.605 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(OC)c2)n(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000023439666 521427670 /nfs/dbraw/zinc/42/76/70/521427670.db2.gz SSLQRJUKFPBIRR-SFHVURJKSA-N 0 0 447.535 4.597 50 0 IJAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000012196135 521433006 /nfs/dbraw/zinc/43/30/06/521433006.db2.gz QEUZMNUHHDHPTM-XUZZJYLKSA-N 0 0 429.476 4.509 50 0 IJAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978012 521490128 /nfs/dbraw/zinc/49/01/28/521490128.db2.gz MDLMMRGLJKNIOT-UHFFFAOYSA-N 0 0 432.445 4.646 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021101315 521504643 /nfs/dbraw/zinc/50/46/43/521504643.db2.gz SFANKRMTJUVMFY-UHFFFAOYSA-N 0 0 448.498 4.742 50 0 biogenic IJAARN CCOc1ccccc1N1CCN(C(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000012770230 521515783 /nfs/dbraw/zinc/51/57/83/521515783.db2.gz VVCUURNNUHRZMZ-UHFFFAOYSA-N 0 0 443.906 4.804 50 0 IJAARN CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000021243275 521555985 /nfs/dbraw/zinc/55/59/85/521555985.db2.gz XTPKUGZWBKYWIR-UHFFFAOYSA-N 0 0 440.550 4.540 50 0 IJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000012594974 521609410 /nfs/dbraw/zinc/60/94/10/521609410.db2.gz WEXOQWYOGVKDLS-UHFFFAOYSA-N 0 0 426.513 4.801 50 0 IJAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21 ZINC000022505171 521665151 /nfs/dbraw/zinc/66/51/51/521665151.db2.gz FUWMTACTIXSCBA-UHFFFAOYSA-N 0 0 449.576 4.700 50 0 IJAARN CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000022785128 521693092 /nfs/dbraw/zinc/69/30/92/521693092.db2.gz KDQPKRGRBQSAQF-OXJNMPFZSA-N 0 0 437.078 4.764 50 0 IJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000035978593 521739535 /nfs/dbraw/zinc/73/95/35/521739535.db2.gz OSWBRARZJUCRJI-HSZRJFAPSA-N 0 0 448.567 4.992 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037396542 521751045 /nfs/dbraw/zinc/75/10/45/521751045.db2.gz FYXCTKHDWVZRAC-UHFFFAOYSA-N 0 0 442.519 4.829 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037396420 521751699 /nfs/dbraw/zinc/75/16/99/521751699.db2.gz QYACBIWAGKWCBQ-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN COCCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1 ZINC000037385511 521751804 /nfs/dbraw/zinc/75/18/04/521751804.db2.gz XITOIMYIMMAFGC-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910656 521795182 /nfs/dbraw/zinc/79/51/82/521795182.db2.gz YVYXRUNJCMYKQQ-JOCHJYFZSA-N 0 0 443.547 4.981 50 0 IJAARN COc1c(F)c(F)c(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(F)c1F ZINC000012855313 521849123 /nfs/dbraw/zinc/84/91/23/521849123.db2.gz OTBDTUBFXNMIAY-UHFFFAOYSA-N 0 0 430.361 4.546 50 0 IJAARN CCc1ccccc1NC(=O)CN1c2cc(C(=O)OC)ccc2Sc2ccccc2C1=O ZINC000015784952 521872608 /nfs/dbraw/zinc/87/26/08/521872608.db2.gz BDQZXPYWJKJHMX-UHFFFAOYSA-N 0 0 446.528 4.786 50 0 IJAARN CCc1ccccc1NC(=O)NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000032949155 521893777 /nfs/dbraw/zinc/89/37/77/521893777.db2.gz ABDWCEYBKKUDAU-UHFFFAOYSA-N 0 0 446.503 4.682 50 0 IJAARN COc1cc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc(OC)c1OC ZINC000012578232 521894896 /nfs/dbraw/zinc/89/48/96/521894896.db2.gz VUYSSEQBALZIHX-UHFFFAOYSA-N 0 0 430.460 4.886 50 0 IJAARN COc1cc(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)cc(OC)c1OC ZINC000012408630 521901143 /nfs/dbraw/zinc/90/11/43/521901143.db2.gz CFWHFDGSYQZSNC-UHFFFAOYSA-N 0 0 426.494 4.599 50 0 IJAARN COc1cc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)cc(OC)c1OC ZINC000012797312 521910242 /nfs/dbraw/zinc/91/02/42/521910242.db2.gz QFOCZCQVCFCOMC-UHFFFAOYSA-N 0 0 432.473 4.657 50 0 IJAARN COc1cc(/C=C\C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)ccc1O ZINC000033602203 521982146 /nfs/dbraw/zinc/98/21/46/521982146.db2.gz HNSLATUBHUEVCV-CHFKYBQCSA-N 0 0 431.488 4.954 50 0 IJAARN COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2)o1 ZINC000012567089 522052280 /nfs/dbraw/zinc/05/22/80/522052280.db2.gz OUPKXTSFZAOROL-UHFFFAOYSA-N 0 0 426.881 4.711 50 0 IJAARN CC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(NCCNC(=O)c2ccccc2Cl)n1 ZINC000036002867 522055539 /nfs/dbraw/zinc/05/55/39/522055539.db2.gz XCOUSNYSMHTTTP-INIZCTEOSA-N 0 0 448.958 4.824 50 0 IJAARN COCCn1c(Sc2cc(C(F)(F)F)nc3ccccc32)nnc1-c1ccncc1 ZINC000012766622 522073927 /nfs/dbraw/zinc/07/39/27/522073927.db2.gz RFCOQSZKRRSLCG-UHFFFAOYSA-N 0 0 431.443 4.705 50 0 IJAARN COCCn1c2ccccc2nc1SCC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000012524819 522077828 /nfs/dbraw/zinc/07/78/28/522077828.db2.gz OSZIKLMJOIZRAF-UHFFFAOYSA-N 0 0 425.476 4.638 50 0 IJAARN COc1cc(C(=O)[C@@H](CC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012531185 522175537 /nfs/dbraw/zinc/17/55/37/522175537.db2.gz KDTRURNWJRLJKO-GOSISDBHSA-N 0 0 444.487 4.828 50 0 IJAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036017802 522212391 /nfs/dbraw/zinc/21/23/91/522212391.db2.gz UOSQQGJMLHBBSB-GXOXKHJKSA-N 0 0 427.372 4.656 50 0 IJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035928408 522221218 /nfs/dbraw/zinc/22/12/18/522221218.db2.gz NYSNBMVLNNDFET-DEOSSOPVSA-N 0 0 435.524 4.923 50 0 IJAARN COC(=O)c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl ZINC000020725355 522277788 /nfs/dbraw/zinc/27/77/88/522277788.db2.gz FGGVUWBVDCCVCH-LJQANCHMSA-N 0 0 445.306 4.683 50 0 IJAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000012742694 522282987 /nfs/dbraw/zinc/28/29/87/522282987.db2.gz KDSOASXKAUBMDS-CQSZACIVSA-N 0 0 449.935 4.832 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1Cl ZINC000035948568 522452523 /nfs/dbraw/zinc/45/25/23/522452523.db2.gz SHIPQWPZGWXQOG-HXUWFJFHSA-N 0 0 437.952 4.851 50 0 IJAARN CCc1nn2c(ncc3c2ccn(-c2ccc(F)c(F)c2)c3=O)c1-c1ccc(OC)cc1 ZINC000020734741 522711182 /nfs/dbraw/zinc/71/11/82/522711182.db2.gz IJDCHOYPXRBUMQ-UHFFFAOYSA-N 0 0 432.430 4.550 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000012506910 522727561 /nfs/dbraw/zinc/72/75/61/522727561.db2.gz QNRVESAMFHQLOO-UHFFFAOYSA-N 0 0 442.475 4.599 50 0 IJAARN CN(CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000035528889 522756721 /nfs/dbraw/zinc/75/67/21/522756721.db2.gz VOHOPTJZMKMEGJ-UHFFFAOYSA-N 0 0 442.991 4.617 50 0 IJAARN COc1cc(OC)c(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)cc1Cl ZINC000033025524 522807402 /nfs/dbraw/zinc/80/74/02/522807402.db2.gz KWNZQLZSQVOERQ-UHFFFAOYSA-N 0 0 443.935 4.581 50 0 IJAARN CC[C@H](Sc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000012874586 522923906 /nfs/dbraw/zinc/92/39/06/522923906.db2.gz NIKSZDVFRSBKAH-JXFKEZNVSA-N 0 0 448.548 4.812 50 0 IJAARN COc1cc([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000020722435 522936478 /nfs/dbraw/zinc/93/64/78/522936478.db2.gz QTWGMEZNUUPTMK-XMMPIXPASA-N 0 0 429.451 4.988 50 0 IJAARN CC[C@H](c1nnc(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1Cc1ccccc1)N(C)C ZINC000012569544 522981099 /nfs/dbraw/zinc/98/10/99/522981099.db2.gz CMJQKJBYBWXGRB-CTAFRAEOSA-N 0 0 443.661 4.609 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000036042954 523036862 /nfs/dbraw/zinc/03/68/62/523036862.db2.gz QAEKULLGPXRQHZ-NFQMXDRXSA-N 0 0 444.575 4.930 50 0 IJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000020761390 523104346 /nfs/dbraw/zinc/10/43/46/523104346.db2.gz LQEALUGJBJPEJQ-UHFFFAOYSA-N 0 0 436.508 4.721 50 0 IJAARN COc1ccc(-c2cc(NC(=O)COc3cc(C)cc(C)c3)n(-c3ccccn3)n2)cc1 ZINC000041156995 523111191 /nfs/dbraw/zinc/11/11/91/523111191.db2.gz GILNHVMRSVATQR-UHFFFAOYSA-N 0 0 428.492 4.577 50 0 IJAARN COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)oc4C)ccn3n2)cc1 ZINC000012414767 523119172 /nfs/dbraw/zinc/11/91/72/523119172.db2.gz QCCMNURWBWTFGS-UHFFFAOYSA-N 0 0 446.894 4.837 50 0 IJAARN COc1ccc(-c2nc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)n[nH]2)cc1 ZINC000022034594 523175319 /nfs/dbraw/zinc/17/53/19/523175319.db2.gz IDGUYNZTVRACCW-NRFANRHFSA-N 0 0 446.532 4.961 50 0 IJAARN COc1ccc(-c2nc(CN3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1OC ZINC000012473903 523198713 /nfs/dbraw/zinc/19/87/13/523198713.db2.gz ABSRGFMIBMJWMA-UHFFFAOYSA-N 0 0 426.488 4.850 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H](C)c3ccccc3)c(C)o2)cc1OC ZINC000020241086 523211419 /nfs/dbraw/zinc/21/14/19/523211419.db2.gz CZJKMGWKGFFDGG-HNNXBMFYSA-N 0 0 426.538 4.778 50 0 IJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1OC ZINC000020241094 523211483 /nfs/dbraw/zinc/21/14/83/523211483.db2.gz VVGRSXFEMJPZSW-RVKKMQEKSA-N 0 0 432.586 4.841 50 0 IJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012782889 523219250 /nfs/dbraw/zinc/21/92/50/523219250.db2.gz BZPYHLHUEGDCSM-CSKARUKUSA-N 0 0 431.363 4.904 50 0 IJAARN CCn1c(SCC(=O)NCc2ccc(C)cc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000033278106 523221419 /nfs/dbraw/zinc/22/14/19/523221419.db2.gz PAOLHZMPHYQRJQ-UHFFFAOYSA-N 0 0 449.601 4.862 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H]2c2nonc2C)c(F)c1 ZINC000020543129 523244676 /nfs/dbraw/zinc/24/46/76/523244676.db2.gz VOVPUARMLPJVNM-JOCHJYFZSA-N 0 0 433.487 4.716 50 0 IJAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012568546 523276123 /nfs/dbraw/zinc/27/61/23/523276123.db2.gz SYYHVBAIIYYQDA-UHFFFAOYSA-N 0 0 445.544 4.703 50 0 IJAARN COc1ccc(-n2c(-c3ccncc3)nn(CN(C)Cc3ccc(C)cc3)c2=S)cc1 ZINC000012552326 523306217 /nfs/dbraw/zinc/30/62/17/523306217.db2.gz QIKKVLMFHUGDTN-UHFFFAOYSA-N 0 0 431.565 4.872 50 0 IJAARN COC(=O)Cc1ccc(OCc2nc3ccccc3c(-c3ccccc3)c2C(=O)OC)cc1 ZINC000012771776 523367367 /nfs/dbraw/zinc/36/73/67/523367367.db2.gz BVKCZENSNGSYMP-UHFFFAOYSA-N 0 0 441.483 4.983 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884454 523421981 /nfs/dbraw/zinc/42/19/81/523421981.db2.gz XXCVXISXGQZZQJ-JOCHJYFZSA-N 0 0 436.458 4.917 50 0 IJAARN COc1ccc(C(=O)C2CCN(Cn3ccn(-c4ccc(OC)cc4)c3=S)CC2)cc1 ZINC000012544052 523575442 /nfs/dbraw/zinc/57/54/42/523575442.db2.gz PZODHIVUKFWAAC-UHFFFAOYSA-N 0 0 437.565 4.578 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)c2ccccc12 ZINC000012771744 523633900 /nfs/dbraw/zinc/63/39/00/523633900.db2.gz GRSRGKSTVYXKCC-LJQANCHMSA-N 0 0 430.504 4.542 50 0 IJAARN CC[S@@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022227760 523641649 /nfs/dbraw/zinc/64/16/49/523641649.db2.gz VZKTYAGTUMTVDS-INZIPBBXSA-N 0 0 437.517 4.790 50 0 IJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C(C)C ZINC000035976422 523737866 /nfs/dbraw/zinc/73/78/66/523737866.db2.gz ACMPLCRRXJWVAV-UHFFFAOYSA-N 0 0 437.540 4.613 50 0 IJAARN CN1C2=C(C(=O)N(CCc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035834759 523738862 /nfs/dbraw/zinc/73/88/62/523738862.db2.gz ZGPUYHIFNIAZGA-RUZDIDTESA-N 0 0 439.515 4.514 50 0 IJAARN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000012418081 523743577 /nfs/dbraw/zinc/74/35/77/523743577.db2.gz XIEANIJBMXCTAL-KBPBESRZSA-N 0 0 438.446 4.589 50 0 IJAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(OC)c3)c2)cc1 ZINC000035927209 523758720 /nfs/dbraw/zinc/75/87/20/523758720.db2.gz KQCFXYRROFFSGQ-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009664628 523799205 /nfs/dbraw/zinc/79/92/05/523799205.db2.gz YXLYGWSJNYWCGK-NRFANRHFSA-N 0 0 449.511 4.591 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccco3)n12 ZINC000033330656 523828651 /nfs/dbraw/zinc/82/86/51/523828651.db2.gz HBIGRWZPTOQLTG-UHFFFAOYSA-N 0 0 445.504 4.585 50 0 IJAARN CN(C(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)c1ccccc1 ZINC000021726885 523842027 /nfs/dbraw/zinc/84/20/27/523842027.db2.gz BPLXQUUIQSTQAX-UHFFFAOYSA-N 0 0 425.517 4.700 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923100 523842282 /nfs/dbraw/zinc/84/22/82/523842282.db2.gz WCBNTBLTCRVXIF-UHFFFAOYSA-N 0 0 426.398 4.984 50 0 IJAARN CCc1cc2c(ncnc2N2CCC(C(=O)N3CCCC[C@H]3c3cccnc3)CC2)s1 ZINC000021716302 523847882 /nfs/dbraw/zinc/84/78/82/523847882.db2.gz RLHNXJVOKZIYOT-NRFANRHFSA-N 0 0 435.597 4.619 50 0 IJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CCCOC)c3n2)s1 ZINC000020605593 523852132 /nfs/dbraw/zinc/85/21/32/523852132.db2.gz KMAPDJTXGMXJKI-UHFFFAOYSA-N 0 0 429.489 4.800 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420888 523877324 /nfs/dbraw/zinc/87/73/24/523877324.db2.gz RPEACMNWVCLGBD-DEOSSOPVSA-N 0 0 426.451 4.769 50 0 IJAARN COCCN1c2ccc(NC(=O)c3cccc(OC)c3)cc2Sc2ccccc2C1=O ZINC000021355381 523889164 /nfs/dbraw/zinc/88/91/64/523889164.db2.gz ZCJQALFHGRDFEX-UHFFFAOYSA-N 0 0 434.517 4.705 50 0 IJAARN CCc1ccc(Cn2nccc2NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 ZINC000021599865 523955291 /nfs/dbraw/zinc/95/52/91/523955291.db2.gz KWVOSBOCTGECRI-UHFFFAOYSA-N 0 0 428.540 4.949 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036017804 523995857 /nfs/dbraw/zinc/99/58/57/523995857.db2.gz UOSQQGJMLHBBSB-JASLPKBKSA-N 0 0 427.372 4.656 50 0 IJAARN CC[C@H](C)[NH2+]CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012649204 524003602 /nfs/dbraw/zinc/00/36/02/524003602.db2.gz NBRNEBZSLMEYFA-ZDUSSCGKSA-N 0 0 444.384 4.511 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000012816094 524043384 /nfs/dbraw/zinc/04/33/84/524043384.db2.gz XIHLJVPFIJMZBT-UHFFFAOYSA-N 0 0 448.397 4.828 50 0 IJAARN CCc1ccc2[nH]c(CSc3nnc(COc4ccccc4CC)n3C)cc(=O)c2c1 ZINC000015865354 524058579 /nfs/dbraw/zinc/05/85/79/524058579.db2.gz SFDFKWJQZGLOGH-UHFFFAOYSA-N 0 0 434.565 4.653 50 0 IJAARN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607162 524067791 /nfs/dbraw/zinc/06/77/91/524067791.db2.gz VLNWMEHQXUBMIL-UHFFFAOYSA-N 0 0 449.016 4.645 50 0 IJAARN Cc1ccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1C ZINC000012378193 524100308 /nfs/dbraw/zinc/10/03/08/524100308.db2.gz KQFXMKNLJZYKDJ-CQSZACIVSA-N 0 0 443.594 4.586 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)c1 ZINC000021810931 524119004 /nfs/dbraw/zinc/11/90/04/524119004.db2.gz FKJNZRFQMBMSOK-GTIOVZTQSA-N 0 0 433.552 4.965 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000020892551 524130838 /nfs/dbraw/zinc/13/08/38/524130838.db2.gz APHAZDVBGODYEL-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)c1 ZINC000020735422 524152345 /nfs/dbraw/zinc/15/23/45/524152345.db2.gz REECXKNRFYOCMR-NWJFTTBMSA-N 0 0 438.527 4.955 50 0 IJAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000012385115 524185529 /nfs/dbraw/zinc/18/55/29/524185529.db2.gz HTRJOAJSWQTQDS-ROUUACIJSA-N 0 0 438.572 4.879 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)on2)c1OC ZINC000012593423 524189369 /nfs/dbraw/zinc/18/93/69/524189369.db2.gz LUOWJXLOBHTGDL-DEOSSOPVSA-N 0 0 443.503 4.838 50 0 IJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n[nH]1 ZINC000012823064 524189916 /nfs/dbraw/zinc/18/99/16/524189916.db2.gz CLZTZZFMNWIJIP-MRVPVSSYSA-N 0 0 442.850 4.670 50 0 IJAARN Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)C3CC3)no2)c(C)c1 ZINC000036015750 524209585 /nfs/dbraw/zinc/20/95/85/524209585.db2.gz SGUBSNKITOKMSY-UHFFFAOYSA-N 0 0 449.526 4.717 50 0 IJAARN Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cs1 ZINC000040132279 524221827 /nfs/dbraw/zinc/22/18/27/524221827.db2.gz JLLNBVHPHDXVHA-UHFFFAOYSA-N 0 0 428.945 4.512 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4cccnc4)o3)[C@H](c3ccco3)C2)cc1 ZINC000008862279 524232203 /nfs/dbraw/zinc/23/22/03/524232203.db2.gz MWTCYQFSYHKLNA-IBGZPJMESA-N 0 0 445.504 4.503 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000035398021 524245572 /nfs/dbraw/zinc/24/55/72/524245572.db2.gz UHZCNNLRCAFOEE-DENIHFKCSA-N 0 0 432.543 4.637 50 0 IJAARN COc1cccc2cc(-c3csc(NC(=O)c4cc(OC)c(OC)c(OC)c4)n3)oc21 ZINC000009663794 524254998 /nfs/dbraw/zinc/25/49/98/524254998.db2.gz NQELPVMORDCJOE-UHFFFAOYSA-N 0 0 440.477 4.843 50 0 IJAARN COc1ccccc1-c1cc2nc(C)cc(N3CCN(C/C=C/c4ccccc4)CC3)n2n1 ZINC000015670911 524270740 /nfs/dbraw/zinc/27/07/40/524270740.db2.gz YOSAQWYEYCJQME-DHZHZOJOSA-N 0 0 439.563 4.549 50 0 IJAARN Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nnc(-c3ccccc3)o2)no1 ZINC000021721615 524271468 /nfs/dbraw/zinc/27/14/68/524271468.db2.gz GQEJXGXHNCOPTK-UHFFFAOYSA-N 0 0 435.509 4.600 50 0 IJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000035684804 524274021 /nfs/dbraw/zinc/27/40/21/524274021.db2.gz VJKAFXGUSJWUSZ-MRXNPFEDSA-N 0 0 446.385 4.629 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000016319812 524282624 /nfs/dbraw/zinc/28/26/24/524282624.db2.gz SHWUSHWEBRRDGW-UHFFFAOYSA-N 0 0 440.540 4.581 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c(C)c1 ZINC000035533309 524290928 /nfs/dbraw/zinc/29/09/28/524290928.db2.gz PGOKBCMZFSHRLT-UHFFFAOYSA-N 0 0 441.626 4.979 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1 ZINC000033320608 524356191 /nfs/dbraw/zinc/35/61/91/524356191.db2.gz RLWQBMOOZLMEEA-UHFFFAOYSA-N 0 0 432.911 4.971 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1 ZINC000037545134 524356606 /nfs/dbraw/zinc/35/66/06/524356606.db2.gz AGARAZWEIJFUCW-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)C1 ZINC000035839625 524373537 /nfs/dbraw/zinc/37/35/37/524373537.db2.gz STSPPEXKFPIPPL-JOCHJYFZSA-N 0 0 447.510 4.739 50 0 IJAARN Cc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021858136 524384894 /nfs/dbraw/zinc/38/48/94/524384894.db2.gz QHDYGNLJSPMNHJ-NDEPHWFRSA-N 0 0 437.543 4.681 50 0 IJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)NCc2ccccc2)o1 ZINC000035766445 524419761 /nfs/dbraw/zinc/41/97/61/524419761.db2.gz UXWNMTWXARQBIW-UHFFFAOYSA-N 0 0 447.579 4.985 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)c1 ZINC000021643934 524421210 /nfs/dbraw/zinc/42/12/10/524421210.db2.gz RWWIPLMIXQGWKZ-FQEVSTJZSA-N 0 0 434.565 4.680 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)c1 ZINC000021795622 524429532 /nfs/dbraw/zinc/42/95/32/524429532.db2.gz TYBGGCNWJUZKFH-UHFFFAOYSA-N 0 0 432.528 4.626 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020583549 524469764 /nfs/dbraw/zinc/46/97/64/524469764.db2.gz QLMLQIGTFPVHGR-SFHVURJKSA-N 0 0 441.944 4.590 50 0 IJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)c(C)c1 ZINC000012458186 524484193 /nfs/dbraw/zinc/48/41/93/524484193.db2.gz VOGTZFPFURQEEG-LJQANCHMSA-N 0 0 431.536 4.823 50 0 IJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c(OC)c1 ZINC000012887954 524524550 /nfs/dbraw/zinc/52/45/50/524524550.db2.gz QGMYNFLPHHPCPL-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 biogenic IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565071 524534699 /nfs/dbraw/zinc/53/46/99/524534699.db2.gz XCRFRJUAJOULFW-SFHVURJKSA-N 0 0 446.576 4.977 50 0 IJAARN Cc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000033113928 524537034 /nfs/dbraw/zinc/53/70/34/524537034.db2.gz MIHFANCJAGEVGD-KRWDZBQOSA-N 0 0 437.971 4.934 50 0 IJAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccs2)CC1 ZINC000020857494 524562824 /nfs/dbraw/zinc/56/28/24/524562824.db2.gz JYRPPMBVPIGWJP-VGSWGCGISA-N 0 0 441.622 4.500 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1OC ZINC000022503268 524580116 /nfs/dbraw/zinc/58/01/16/524580116.db2.gz JOZQUULNNXEZIV-UHFFFAOYSA-N 0 0 431.492 4.941 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002208340 524599275 /nfs/dbraw/zinc/59/92/75/524599275.db2.gz PBMFHAKQNLZEKR-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000012414518 524604644 /nfs/dbraw/zinc/60/46/44/524604644.db2.gz FHJHHPQGMAEYMV-UHFFFAOYSA-N 0 0 437.858 4.503 50 0 IJAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000034928008 524620492 /nfs/dbraw/zinc/62/04/92/524620492.db2.gz KVBCJGBZSGDJGG-LOSJGSFVSA-N 0 0 442.515 4.786 50 0 IJAARN COc1ccc(NC(=O)c2ccc(Br)cc2)cc1NC(=O)c1ccccc1 ZINC000032998422 524630955 /nfs/dbraw/zinc/63/09/55/524630955.db2.gz VMBPEXXJEJETKD-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN COc1ccc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)cc1Cl ZINC000033275292 524649200 /nfs/dbraw/zinc/64/92/00/524649200.db2.gz WTZXDFVPRIHVNM-UHFFFAOYSA-N 0 0 437.887 4.762 50 0 IJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1cccc(Br)c1)C2 ZINC000015778820 524651567 /nfs/dbraw/zinc/65/15/67/524651567.db2.gz LKHTXTTXYFVCHS-UHFFFAOYSA-N 0 0 425.330 4.550 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](C(C)C)C(=O)N32)c1C ZINC000021936007 524651860 /nfs/dbraw/zinc/65/18/60/524651860.db2.gz JHQAYUJBXREISM-JXFKEZNVSA-N 0 0 434.565 4.678 50 0 IJAARN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCCCC1 ZINC000012062302 524679408 /nfs/dbraw/zinc/67/94/08/524679408.db2.gz TWCHDHNXSMZIRK-UHFFFAOYSA-N 0 0 439.581 4.619 50 0 IJAARN Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000035769075 524690924 /nfs/dbraw/zinc/69/09/24/524690924.db2.gz JZRNIAGURBZZKJ-UHFFFAOYSA-N 0 0 440.591 4.800 50 0 IJAARN Cc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000012860730 524784935 /nfs/dbraw/zinc/78/49/35/524784935.db2.gz PPAGDAGGNOMNME-YLJYHZDGSA-N 0 0 428.554 4.556 50 0 IJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c1 ZINC000012686378 524795985 /nfs/dbraw/zinc/79/59/85/524795985.db2.gz DEQTXOFMLMCXNC-UHFFFAOYSA-N 0 0 439.515 4.755 50 0 IJAARN COc1ccc(OC)c(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c1 ZINC000012419823 524803029 /nfs/dbraw/zinc/80/30/29/524803029.db2.gz IKMFXDYWGRUHLL-JWGURIENSA-N 0 0 440.524 4.655 50 0 IJAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc3cc(C)c(C)cc3[nH]2)no1 ZINC000033271032 524856788 /nfs/dbraw/zinc/85/67/88/524856788.db2.gz YWDZAAIBSIGMSD-UHFFFAOYSA-N 0 0 439.516 4.874 50 0 IJAARN COc1ccc(OC)c(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021944615 524858356 /nfs/dbraw/zinc/85/83/56/524858356.db2.gz FTQVGRROXXZQRR-UHFFFAOYSA-N 0 0 436.487 4.582 50 0 biogenic IJAARN COc1ccc(OC)c(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000033012853 524868714 /nfs/dbraw/zinc/86/87/14/524868714.db2.gz WGWYUELNWFFLOM-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]c3ccc(Br)cc23)c1 ZINC000012767205 524893900 /nfs/dbraw/zinc/89/39/00/524893900.db2.gz ODQJHMVWKCRJKB-IBGZPJMESA-N 0 0 429.314 4.925 50 0 IJAARN COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c1 ZINC000020892652 524918633 /nfs/dbraw/zinc/91/86/33/524918633.db2.gz IMHJRWUGVJZGSW-HXUWFJFHSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1cccc2c(=O)n(CC(=O)N[C@@H](c3cccs3)c3ccc4c(c3)CCCC4)cnc12 ZINC000024278495 524923292 /nfs/dbraw/zinc/92/32/92/524923292.db2.gz SNJLLRMIZSWRNS-RUZDIDTESA-N 0 0 443.572 4.551 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000021862670 524930514 /nfs/dbraw/zinc/93/05/14/524930514.db2.gz ZEXGATBYOYOZKF-MHZLTWQESA-N 0 0 444.579 4.533 50 0 IJAARN COc1ccc(OC[C@H](O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000012515329 524972369 /nfs/dbraw/zinc/97/23/69/524972369.db2.gz DLHIENSQJLNOBO-KRWDZBQOSA-N 0 0 439.562 4.536 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000041125465 525000431 /nfs/dbraw/zinc/00/04/31/525000431.db2.gz UOBIRCUAIRLMFE-NRFANRHFSA-N 0 0 441.524 4.558 50 0 IJAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000001066137 525006821 /nfs/dbraw/zinc/00/68/21/525006821.db2.gz ARSAMCAJZMDRBW-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN Cc1ccccc1-c1noc([C@H]2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)C2)n1 ZINC000021940100 525023806 /nfs/dbraw/zinc/02/38/06/525023806.db2.gz UMHORQJBKNTZRA-IBGZPJMESA-N 0 0 425.554 4.737 50 0 IJAARN Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000012805233 525035976 /nfs/dbraw/zinc/03/59/76/525035976.db2.gz HWPDZZHEBOCUBD-UHFFFAOYSA-N 0 0 433.390 4.809 50 0 IJAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000023525935 525059014 /nfs/dbraw/zinc/05/90/14/525059014.db2.gz LXGUTKWIITZLGM-JXFKEZNVSA-N 0 0 431.374 4.779 50 0 IJAARN Cc1ccc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N32)c(Cl)c1 ZINC000021643614 525072321 /nfs/dbraw/zinc/07/23/21/525072321.db2.gz JBLPBKYPTTVZMN-LJQANCHMSA-N 0 0 440.956 4.635 50 0 IJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2nc3ccccc3n2C)cc1 ZINC000012548052 525076057 /nfs/dbraw/zinc/07/60/57/525076057.db2.gz RCLLPFZDVZLKSX-UHFFFAOYSA-N 0 0 444.560 4.543 50 0 IJAARN C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000012566986 525084794 /nfs/dbraw/zinc/08/47/94/525084794.db2.gz ZWAQPJDFBGXCCR-LREROPASSA-N 0 0 444.575 4.937 50 0 IJAARN Cc1ccccc1CN1C(=O)c2nc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021862203 525135405 /nfs/dbraw/zinc/13/54/05/525135405.db2.gz TXKLSOUINYWNNY-MHZLTWQESA-N 0 0 444.579 4.598 50 0 IJAARN Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)n1C ZINC000012509063 525187121 /nfs/dbraw/zinc/18/71/21/525187121.db2.gz WWRVPMKWDPDAND-CQSZACIVSA-N 0 0 434.487 4.926 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccs1 ZINC000021869051 525197216 /nfs/dbraw/zinc/19/72/16/525197216.db2.gz UGBQYMCNTLYPGA-RUZDIDTESA-N 0 0 433.577 4.690 50 0 IJAARN COc1ccc([C@@H](NC(=O)c2cc3c(s2)-c2ccccc2CC3)c2nccn2C)cc1 ZINC000012573371 525199342 /nfs/dbraw/zinc/19/93/42/525199342.db2.gz QJTIFBWHRMYYJI-JOCHJYFZSA-N 0 0 429.545 4.775 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000021527554 525200172 /nfs/dbraw/zinc/20/01/72/525200172.db2.gz XISYQSXOBHLJBT-HHHXNRCGSA-N 0 0 429.564 4.895 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1ccccc1F ZINC000021526602 525202970 /nfs/dbraw/zinc/20/29/70/525202970.db2.gz WXBQWDJMEBXTRE-RUZDIDTESA-N 0 0 437.515 4.627 50 0 IJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000012191958 525206454 /nfs/dbraw/zinc/20/64/54/525206454.db2.gz SHRUWSOWOQEZTE-RTBURBONSA-N 0 0 442.625 4.581 50 0 IJAARN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000012535943 525207896 /nfs/dbraw/zinc/20/78/96/525207896.db2.gz SCQJKUZYHGPTIK-BLLLJJGKSA-N 0 0 426.510 4.705 50 0 IJAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCc2cccs2)CC1 ZINC000021160302 525212154 /nfs/dbraw/zinc/21/21/54/525212154.db2.gz NUMHCLWYVJZNBT-UHFFFAOYSA-N 0 0 444.604 4.987 50 0 IJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000012489676 525215840 /nfs/dbraw/zinc/21/58/40/525215840.db2.gz FQYKQNXFRFZXJS-HNNXBMFYSA-N 0 0 429.977 4.817 50 0 IJAARN Cc1ccccc1N1C(=O)CS[C@H]1c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000035908791 525222452 /nfs/dbraw/zinc/22/24/52/525222452.db2.gz JALXBFWVPPOQFU-QFIPXVFZSA-N 0 0 442.537 4.714 50 0 IJAARN C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccc(-n2ccnc2)cc1 ZINC000012589791 525222920 /nfs/dbraw/zinc/22/29/20/525222920.db2.gz JHKJFGSTHGZPJD-BVZFJXPGSA-N 0 0 437.499 4.818 50 0 IJAARN C[C@H](NC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1)c1ccccc1Cl ZINC000012591207 525232197 /nfs/dbraw/zinc/23/21/97/525232197.db2.gz IZAGLJVKSLEQOO-INIZCTEOSA-N 0 0 426.944 4.611 50 0 IJAARN Cc1cc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)ccc1Br ZINC000021529806 525237899 /nfs/dbraw/zinc/23/78/99/525237899.db2.gz BHHIUYVFEBMJFX-UHFFFAOYSA-N 0 0 444.304 4.767 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(-c3ccccc3)n12 ZINC000012463114 525243204 /nfs/dbraw/zinc/24/32/04/525243204.db2.gz XYBUJBDODIXBKH-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000012468569 525262184 /nfs/dbraw/zinc/26/21/84/525262184.db2.gz IBTVECZJKBMLHS-OALUTQOASA-N 0 0 431.521 4.747 50 0 IJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000012273720 525270570 /nfs/dbraw/zinc/27/05/70/525270570.db2.gz LUAVTRBXZMSOJP-RLWLMLJZSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2Cl)c1 ZINC000012736314 525272100 /nfs/dbraw/zinc/27/21/00/525272100.db2.gz JSEQIWVNSDHTLL-UHFFFAOYSA-N 0 0 428.941 4.688 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)c(F)c1 ZINC000009208641 534851124 /nfs/dbraw/zinc/85/11/24/534851124.db2.gz WJGOXQUCVILTJJ-UHFFFAOYSA-N 0 0 443.478 4.799 50 0 IJAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4sccc4[C@H]3C)cc2)ccc1F ZINC000012788420 525420047 /nfs/dbraw/zinc/42/00/47/525420047.db2.gz MVDNHDZSHLQQRZ-OAHLLOKOSA-N 0 0 444.553 4.756 50 0 IJAARN COc1ccc([C@H]2SCCN2C(=O)c2ccc3c(c2)OCO3)cc1OCc1ccccc1 ZINC000033789208 525432317 /nfs/dbraw/zinc/43/23/17/525432317.db2.gz VNALRNHKXHDZBM-RUZDIDTESA-N 0 0 449.528 4.891 50 0 IJAARN Cc1cc(SCC(=O)NCc2cccc(Cl)c2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268941 525432872 /nfs/dbraw/zinc/43/28/72/525432872.db2.gz NMYMZZQPBYVHII-UHFFFAOYSA-N 0 0 440.931 4.906 50 0 IJAARN Cc1cccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccccc4Cl)c3)nc12 ZINC000021099885 525460667 /nfs/dbraw/zinc/46/06/67/525460667.db2.gz FSUAEQDXWSIYOG-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(c1ccc(Br)cc1)C2=O ZINC000020855038 525473820 /nfs/dbraw/zinc/47/38/20/525473820.db2.gz YQLAGOXULAEFPU-KRWDZBQOSA-N 0 0 447.130 4.993 50 0 IJAARN Cc1cc([C@@H]2CCCN2C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)on1 ZINC000021718469 525492392 /nfs/dbraw/zinc/49/23/92/525492392.db2.gz PXUWJCNGLQUBSI-AWEZNQCLSA-N 0 0 447.442 4.750 50 0 IJAARN Cc1c(C(=O)N(C)CCc2ccccn2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000012513017 525556917 /nfs/dbraw/zinc/55/69/17/525556917.db2.gz LCNRWDCFDIWNPL-OAHLLOKOSA-N 0 0 437.594 4.944 50 0 IJAARN Cc1c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)cnn1-c1ccccc1 ZINC000042380137 525575543 /nfs/dbraw/zinc/57/55/43/525575543.db2.gz CYBMEXDASDCFIQ-QGZVFWFLSA-N 0 0 447.539 4.858 50 0 IJAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cc(Cl)ccc3C)c(=O)n1CCC(C)C)n2C ZINC000020558172 525603982 /nfs/dbraw/zinc/60/39/82/525603982.db2.gz UXZNOKHWLOLUEG-UHFFFAOYSA-N 0 0 439.943 4.661 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)c1ccccc1 ZINC000012911324 525607430 /nfs/dbraw/zinc/60/74/30/525607430.db2.gz OMKIJCFPKBLTLN-QGZVFWFLSA-N 0 0 426.513 4.768 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(Cc2ccccc2C)C3=O)o1 ZINC000021810821 525618756 /nfs/dbraw/zinc/61/87/56/525618756.db2.gz WVWKMXWYSCKSON-SANMLTNESA-N 0 0 433.552 4.715 50 0 IJAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2nc3n(c(=O)c12)N=C(c1ccccc1)CS3 ZINC000020485317 525660046 /nfs/dbraw/zinc/66/00/46/525660046.db2.gz PYIGFFLCGBCPHQ-UHFFFAOYSA-N 0 0 446.557 4.685 50 0 IJAARN Cc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012883179 525667074 /nfs/dbraw/zinc/66/70/74/525667074.db2.gz XMYLSNUUHZYFCC-LJQANCHMSA-N 0 0 443.572 4.941 50 0 IJAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)c3ccc(F)c(Cl)c3)cc(=O)n2o1 ZINC000035378666 525673599 /nfs/dbraw/zinc/67/35/99/525673599.db2.gz INZYPYODVOKUKV-UHFFFAOYSA-N 0 0 441.846 4.528 50 0 IJAARN Cc1cc2nc(COc3cccc(NC(=O)c4cccc5ccccc54)c3)cc(=O)n2o1 ZINC000035378592 525674579 /nfs/dbraw/zinc/67/45/79/525674579.db2.gz XJKCAIHXXMXHBM-UHFFFAOYSA-N 0 0 425.444 4.580 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)[C@@H](C)Oc4ccc(C)cc4)cc3)cc(=O)n2o1 ZINC000035429550 525675109 /nfs/dbraw/zinc/67/51/09/525675109.db2.gz WUNDZOZLPIBBQG-QGZVFWFLSA-N 0 0 449.532 4.603 50 0 IJAARN Cc1ccc(-c2c3c(c4n2-c2ccccc2N[C@H]4c2ccccc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000015834085 525709686 /nfs/dbraw/zinc/70/96/86/525709686.db2.gz MEOIPCZFVBVMRT-QHCPKHFHSA-N 0 0 448.526 4.518 50 0 IJAARN COc1cccc(-c2nc(COC(=O)c3cc4c(c(Cl)c3)OCO4)cs2)c1OC ZINC000021461712 525724354 /nfs/dbraw/zinc/72/43/54/525724354.db2.gz CNYQXRAHGZWBSX-UHFFFAOYSA-N 0 0 433.869 4.566 50 0 IJAARN Cc1c(Cl)cccc1-n1c(S[C@@H](C)C(=O)NCC(C)C)nnc1-c1ccncc1 ZINC000016052987 525749946 /nfs/dbraw/zinc/74/99/46/525749946.db2.gz KPUIEXXHXSTXJS-HNNXBMFYSA-N 0 0 429.977 4.544 50 0 IJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000035398171 525752589 /nfs/dbraw/zinc/75/25/89/525752589.db2.gz DFUWEQKCMYTWMQ-OAQYLSRUSA-N 0 0 434.971 4.681 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)n2)o1 ZINC000012598828 525781377 /nfs/dbraw/zinc/78/13/77/525781377.db2.gz YIKRWIVRHGTCLC-UHFFFAOYSA-N 0 0 445.500 4.880 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1 ZINC000020903049 525790986 /nfs/dbraw/zinc/79/09/86/525790986.db2.gz KQNMUKJIDMKKDO-MHZLTWQESA-N 0 0 429.564 4.547 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCc1ccccc1 ZINC000021863035 525792275 /nfs/dbraw/zinc/79/22/75/525792275.db2.gz MUWZBSNVFZYGRZ-MHZLTWQESA-N 0 0 445.563 4.654 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCCc1ccccc1 ZINC000021810521 525792868 /nfs/dbraw/zinc/79/28/68/525792868.db2.gz HKWHMJRODZKSOY-SANMLTNESA-N 0 0 433.552 4.531 50 0 IJAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(C)cc3)cs2)c1OC ZINC000012441883 525832563 /nfs/dbraw/zinc/83/25/63/525832563.db2.gz YLQHQKWDSMKAQH-UHFFFAOYSA-N 0 0 434.521 4.882 50 0 IJAARN Cc1c(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c(=O)n(-c2ccccc2)n1C ZINC000012537414 525835356 /nfs/dbraw/zinc/83/53/56/525835356.db2.gz QHKSUZAXLHIZDM-UHFFFAOYSA-N 0 0 446.576 4.689 50 0 IJAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(N(C)C)cc3)c2)c1 ZINC000035928531 525835998 /nfs/dbraw/zinc/83/59/98/525835998.db2.gz QWJGPAPOOVBRII-RUZDIDTESA-N 0 0 447.560 4.792 50 0 IJAARN Cc1ccc(-c2nnc(NC(=O)CCNC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000035344244 525848901 /nfs/dbraw/zinc/84/89/01/525848901.db2.gz VGIHNPVQLNMMNV-UHFFFAOYSA-N 0 0 435.336 4.579 50 0 IJAARN Cc1c(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000012821624 525865645 /nfs/dbraw/zinc/86/56/45/525865645.db2.gz USNNINUZFTXLEI-UHFFFAOYSA-N 0 0 432.549 4.984 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c3)n2)cc1 ZINC000035527899 525869115 /nfs/dbraw/zinc/86/91/15/525869115.db2.gz ZMRHZAFOEFKPGJ-UHFFFAOYSA-N 0 0 428.492 4.636 50 0 IJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)n2)cc1 ZINC000021525445 525871940 /nfs/dbraw/zinc/87/19/40/525871940.db2.gz VTNJZPJTJMJLGI-LJQANCHMSA-N 0 0 444.535 4.832 50 0 IJAARN Cc1c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000011867473 525880451 /nfs/dbraw/zinc/88/04/51/525880451.db2.gz WGMBASUMUYNVHD-OAQYLSRUSA-N 0 0 449.503 4.762 50 0 IJAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O ZINC000022240212 525888718 /nfs/dbraw/zinc/88/87/18/525888718.db2.gz BAYRTXWWMBNBGY-FQEVSTJZSA-N 0 0 434.254 4.755 50 0 IJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000012759704 525919096 /nfs/dbraw/zinc/91/90/96/525919096.db2.gz BZTHQELGQGOTPY-ZIAGYGMSSA-N 0 0 438.391 4.544 50 0 IJAARN Cc1c2c(n(Cc3ccc(F)cc3)c1C(=O)N1CCN(c3ccccc3F)CC1)CCCC2 ZINC000035834947 525934421 /nfs/dbraw/zinc/93/44/21/525934421.db2.gz FEZDEAIBCICNHD-UHFFFAOYSA-N 0 0 449.545 4.964 50 0 IJAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000012558959 525940241 /nfs/dbraw/zinc/94/02/41/525940241.db2.gz UBJANIHOTZAITJ-GOSISDBHSA-N 0 0 442.288 4.896 50 0 IJAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012608235 525959243 /nfs/dbraw/zinc/95/92/43/525959243.db2.gz AANHRKJAQBOKJA-CYBMUJFWSA-N 0 0 428.838 4.601 50 0 IJAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3NC2=O)cc1 ZINC000020355365 525959623 /nfs/dbraw/zinc/95/96/23/525959623.db2.gz UYUBPAKQMIEYGF-FOKLQQMPSA-N 0 0 444.512 4.739 50 0 IJAARN Cc1cnc(C)c(-c2cc3c(c(F)c2)O[C@@H](CNC(=O)c2ccccc2C(F)(F)F)C3)n1 ZINC000011880584 525983445 /nfs/dbraw/zinc/98/34/45/525983445.db2.gz PWWPMOOIQOLLPM-MRXNPFEDSA-N 0 0 445.416 4.652 50 0 IJAARN CSc1ccc(CCNC(=O)c2sc3nc(C)nc(N4CCCC4)c3c2C)cc1 ZINC000033078980 525985657 /nfs/dbraw/zinc/98/56/57/525985657.db2.gz BCIOYXQCYOJSRO-UHFFFAOYSA-N 0 0 426.611 4.603 50 0 IJAARN CSc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1 ZINC000035398422 525996566 /nfs/dbraw/zinc/99/65/66/525996566.db2.gz SQXVBCAFDUXXCS-UHFFFAOYSA-N 0 0 432.593 4.707 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398299 525997574 /nfs/dbraw/zinc/99/75/74/525997574.db2.gz ZMEKILPDZFXLTL-OAQYLSRUSA-N 0 0 432.593 4.707 50 0 IJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3nnc(CC(C)C)s3)c2n1 ZINC000012566982 526131858 /nfs/dbraw/zinc/13/18/58/526131858.db2.gz FQMUGJALXJIFKA-UHFFFAOYSA-N 0 0 425.341 4.918 50 0 IJAARN COc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020902745 526141105 /nfs/dbraw/zinc/14/11/05/526141105.db2.gz AUINZKMMIOSVLO-AREMUKBSSA-N 0 0 431.536 4.518 50 0 IJAARN COc1cccc(NC(=O)CCC2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1 ZINC000012228821 526168564 /nfs/dbraw/zinc/16/85/64/526168564.db2.gz LJLCCJDEGHESPI-UHFFFAOYSA-N 0 0 433.508 4.621 50 0 IJAARN COc1cccc(NC(=O)CCC2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 ZINC000014959760 526169661 /nfs/dbraw/zinc/16/96/61/526169661.db2.gz OGSVVPHCUHLUGX-UHFFFAOYSA-N 0 0 433.552 4.767 50 0 IJAARN COc1cccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1 ZINC000021157529 526171302 /nfs/dbraw/zinc/17/13/02/526171302.db2.gz OSSIROCOVXQZHN-UHFFFAOYSA-N 0 0 426.523 4.552 50 0 IJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC1)c1cccn1-2 ZINC000035399276 526172405 /nfs/dbraw/zinc/17/24/05/526172405.db2.gz QUBACNGMUBLRNG-UHFFFAOYSA-N 0 0 447.604 4.770 50 0 biogenic IJAARN COc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 ZINC000033067948 526193147 /nfs/dbraw/zinc/19/31/47/526193147.db2.gz BUSYROANRGUNDO-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2CSCN21 ZINC000035374479 526213605 /nfs/dbraw/zinc/21/36/05/526213605.db2.gz BJMYFYDEORNQRJ-CHQSNSNVSA-N 0 0 440.568 4.814 50 0 IJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C2CC2)c(C)n1CC(F)(F)F ZINC000018964856 526214395 /nfs/dbraw/zinc/21/43/95/526214395.db2.gz WDEZPONGVDWLQM-UHFFFAOYSA-N 0 0 435.471 4.687 50 0 IJAARN CSc1nnc(CN(C)Cc2ccc(-c3cccc(Cl)c3)o2)n1C[C@@H]1CCCO1 ZINC000012325568 526228571 /nfs/dbraw/zinc/22/85/71/526228571.db2.gz MFPYWVXXKGBYHS-KRWDZBQOSA-N 0 0 432.977 4.724 50 0 IJAARN Cc1ccc2cc(COC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)c(Cl)nc2c1 ZINC000021467726 526232370 /nfs/dbraw/zinc/23/23/70/526232370.db2.gz CWVKGBKFZBPCQQ-GOSISDBHSA-N 0 0 432.307 4.693 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)Sc2nccn(-c3ccc(Br)cc3)c2=O)cc1C ZINC000033039857 526239660 /nfs/dbraw/zinc/23/96/60/526239660.db2.gz OIXMEIQDVOPHPR-OAHLLOKOSA-N 0 0 443.366 4.975 50 0 IJAARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H]3CSCN3[C@@]23c2ccccc2NC3=O)cc1 ZINC000035851942 526240640 /nfs/dbraw/zinc/24/06/40/526240640.db2.gz FGIYHNXMIJHZJO-LAOBSVPGSA-N 0 0 440.568 4.814 50 0 IJAARN Cc1ccc2nc(C)c(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)cc2c1 ZINC000012999730 526245200 /nfs/dbraw/zinc/24/52/00/526245200.db2.gz ZGUREDZAOAFKBD-UHFFFAOYSA-N 0 0 440.341 4.633 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000015679201 526288926 /nfs/dbraw/zinc/28/89/26/526288926.db2.gz ISYVSQOZOREMIT-UHFFFAOYSA-N 0 0 448.498 4.806 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020616054 526294818 /nfs/dbraw/zinc/29/48/18/526294818.db2.gz VNPUMBBENOIZIG-UHFFFAOYSA-N 0 0 433.459 4.768 50 0 IJAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\c1nc(-c2ccc(C)cc2)cs1 ZINC000033530709 526303871 /nfs/dbraw/zinc/30/38/71/526303871.db2.gz QTFNIGDUJZSJHK-XITLMJRVSA-N 0 0 433.986 4.807 50 0 IJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)n2)o1 ZINC000023454777 526315214 /nfs/dbraw/zinc/31/52/14/526315214.db2.gz JKMLGTUCVXLWJG-QGZVFWFLSA-N 0 0 429.524 4.920 50 0 IJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NCc4cccc(C)c4)c3)n2)o1 ZINC000023453915 526315564 /nfs/dbraw/zinc/31/55/64/526315564.db2.gz VALCKGZMKCYTHJ-UHFFFAOYSA-N 0 0 429.524 4.668 50 0 IJAARN O=C([O-])[C@H](c1c[nH]c2ccccc21)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020676770 526315570 /nfs/dbraw/zinc/31/55/70/526315570.db2.gz KNJHILWVDZHXFX-SANMLTNESA-N 0 0 425.532 4.701 50 0 IJAARN Fc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c(Cl)c1 ZINC000033417138 526359321 /nfs/dbraw/zinc/35/93/21/526359321.db2.gz LGUPFJXDFWUSKK-UHFFFAOYSA-N 0 0 433.936 4.987 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)n1-c1ccc(C)cc1 ZINC000012553939 526377959 /nfs/dbraw/zinc/37/79/59/526377959.db2.gz GVHPRLVGRMVFAM-UHFFFAOYSA-N 0 0 447.564 4.524 50 0 IJAARN O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000014807071 526424044 /nfs/dbraw/zinc/42/40/44/526424044.db2.gz WHJLEUKOAMTZEK-UHFFFAOYSA-N 0 0 449.894 4.788 50 0 IJAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012891411 526456273 /nfs/dbraw/zinc/45/62/73/526456273.db2.gz LQYLNXBVOGEKBR-VQIMIIECSA-N 0 0 439.968 4.662 50 0 IJAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cc1Cl ZINC000012864212 526496735 /nfs/dbraw/zinc/49/67/35/526496735.db2.gz BWODNQCHAXUKFF-UHFFFAOYSA-N 0 0 439.781 4.764 50 0 IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1ccc(Br)cc1Cl ZINC000015656858 526537266 /nfs/dbraw/zinc/53/72/66/526537266.db2.gz RAMQCNHEBDOVTM-UHFFFAOYSA-N 0 0 438.126 4.525 50 0 IJAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCCC[C@@H]1c1cccnc1 ZINC000012099725 526563267 /nfs/dbraw/zinc/56/32/67/526563267.db2.gz IOLNHGJUTJMMLZ-LEAFIULHSA-N 0 0 441.575 4.960 50 0 IJAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000012203135 526563560 /nfs/dbraw/zinc/56/35/60/526563560.db2.gz XNGUNWIYFVBWTP-SKCUWOTOSA-N 0 0 444.550 4.967 50 0 IJAARN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012796792 526585778 /nfs/dbraw/zinc/58/57/78/526585778.db2.gz HPNBKDFFZMKGSO-LJBMCGLHSA-N 0 0 440.543 4.545 50 0 IJAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000021524233 526590258 /nfs/dbraw/zinc/59/02/58/526590258.db2.gz XSRGRQNYTSZOED-UHFFFAOYSA-N 0 0 434.423 4.688 50 0 IJAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000012746472 526594533 /nfs/dbraw/zinc/59/45/33/526594533.db2.gz MKIRRQKVSBOYIS-UHFFFAOYSA-N 0 0 441.380 4.739 50 0 IJAARN O=C(CCc1ccncc1)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000012320082 526624973 /nfs/dbraw/zinc/62/49/73/526624973.db2.gz XDZAJUMLQUDKJX-UHFFFAOYSA-N 0 0 447.623 4.514 50 0 IJAARN Cc1noc(CSc2nc3ccccc3c(=O)n2CCc2ccc(Cl)cc2Cl)n1 ZINC000012819967 526629507 /nfs/dbraw/zinc/62/95/07/526629507.db2.gz SHVLPDBKRHOVGC-UHFFFAOYSA-N 0 0 447.347 4.930 50 0 IJAARN O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012758037 526653472 /nfs/dbraw/zinc/65/34/72/526653472.db2.gz QCKNPLCYHSUFTJ-ZTLYHTANSA-N 0 0 434.502 4.529 50 0 IJAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1SCc1cccs1 ZINC000021936138 526657538 /nfs/dbraw/zinc/65/75/38/526657538.db2.gz LXVHHNQKVXPSLJ-UHFFFAOYSA-N 0 0 438.618 4.803 50 0 IJAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000012391948 526658911 /nfs/dbraw/zinc/65/89/11/526658911.db2.gz YBQHSCWTXAOCFP-KRWDZBQOSA-N 0 0 430.335 4.643 50 0 IJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 ZINC000012593849 526665000 /nfs/dbraw/zinc/66/50/00/526665000.db2.gz APLHOBAHTNGUMA-INIZCTEOSA-N 0 0 429.394 4.547 50 0 IJAARN O=C(c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1)N1CCCCC1 ZINC000035477616 526668852 /nfs/dbraw/zinc/66/88/52/526668852.db2.gz JFSAQHCKCXSGQU-UHFFFAOYSA-N 0 0 448.954 4.767 50 0 IJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c12 ZINC000022137460 526678188 /nfs/dbraw/zinc/67/81/88/526678188.db2.gz QKKIZGOXVVXXOL-QGZVFWFLSA-N 0 0 438.491 4.612 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)c1ccc(COCC(F)(F)F)cc1)Nc1ccccc1 ZINC000022192891 526700119 /nfs/dbraw/zinc/70/01/19/526700119.db2.gz KQSIVQCBLHZEKR-UHFFFAOYSA-N 0 0 446.425 4.640 50 0 IJAARN O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCc1ccc(Cl)cc1 ZINC000020730569 526706168 /nfs/dbraw/zinc/70/61/68/526706168.db2.gz IREGSNUOZZRREM-LPYMAVHISA-N 0 0 436.870 4.562 50 0 IJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C2CC2)C1 ZINC000037545499 526711855 /nfs/dbraw/zinc/71/18/55/526711855.db2.gz OHFWMHSRWDPRLZ-TZIWHRDSSA-N 0 0 430.470 4.712 50 0 IJAARN O=C(NCc1cccc(Cl)c1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000021531176 526715725 /nfs/dbraw/zinc/71/57/25/526715725.db2.gz FCTQEVGOQMXLOI-UHFFFAOYSA-N 0 0 438.940 4.809 50 0 IJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000012458907 526728122 /nfs/dbraw/zinc/72/81/22/526728122.db2.gz SKFFRVPZCBMXKX-MRXNPFEDSA-N 0 0 439.899 4.522 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCCSC1CCCCC1 ZINC000020241531 526731874 /nfs/dbraw/zinc/73/18/74/526731874.db2.gz XJNJHQPMGXQCBF-PMERELPUSA-N 0 0 448.654 4.779 50 0 IJAARN O=C(c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)N1CCc2ccccc21 ZINC000035181039 526768375 /nfs/dbraw/zinc/76/83/75/526768375.db2.gz 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Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCCc1ccc(Cl)cc1 ZINC000033173788 526860810 /nfs/dbraw/zinc/86/08/10/526860810.db2.gz PZEPCEWUESHQOA-UHFFFAOYSA-N 0 0 449.907 4.640 50 0 IJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000033290134 526864311 /nfs/dbraw/zinc/86/43/11/526864311.db2.gz WVMSVHQIGPWHKL-UHFFFAOYSA-N 0 0 447.651 4.814 50 0 IJAARN Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)C4CCC4)CC3)c2c1C ZINC000035866776 526889858 /nfs/dbraw/zinc/88/98/58/526889858.db2.gz GJSANDUUQHLEJO-UHFFFAOYSA-N 0 0 434.609 4.542 50 0 IJAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(C4CCCCC4)o3)c2c1C ZINC000023967940 526891721 /nfs/dbraw/zinc/89/17/21/526891721.db2.gz WOEWOKBLZGZADX-UHFFFAOYSA-N 0 0 445.614 4.722 50 0 IJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012029283 526901206 /nfs/dbraw/zinc/90/12/06/526901206.db2.gz DLDRRTJMEUDZII-OAQYLSRUSA-N 0 0 432.998 4.982 50 0 IJAARN O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012618610 526917610 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536659002 /nfs/dbraw/zinc/65/90/02/536659002.db2.gz ISTVWKYPLFGXAJ-BVAGGSTKSA-N 0 0 444.531 4.505 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000009782555 536805328 /nfs/dbraw/zinc/80/53/28/536805328.db2.gz RESCSCGHRJVJNS-NOZRDPDXSA-N 0 0 430.504 4.827 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)cc(Cl)c1OC(C)C ZINC000013041817 536875124 /nfs/dbraw/zinc/87/51/24/536875124.db2.gz XILLEUXEDKFNQE-CMDGGOBGSA-N 0 0 430.932 4.624 50 0 IJAARN COc1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2cc1OC ZINC000009969428 536895094 /nfs/dbraw/zinc/89/50/94/536895094.db2.gz XYXLQADOGOFICS-UHFFFAOYSA-N 0 0 446.956 4.729 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776480 536947706 /nfs/dbraw/zinc/94/77/06/536947706.db2.gz HUMIQEUXPSQIND-NOZRDPDXSA-N 0 0 448.494 4.966 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000002234892 537001703 /nfs/dbraw/zinc/00/17/03/537001703.db2.gz IMAQVEMXJXPLLV-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000624824 555511990 /nfs/dbraw/zinc/51/19/90/555511990.db2.gz VXGATZLGYFVOTE-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n2cnc(-c3ccc(C)cc3)cc12 ZINC000000633242 555515762 /nfs/dbraw/zinc/51/57/62/555515762.db2.gz IWCZBQCRQODBEM-UHFFFAOYSA-N 0 0 444.487 4.735 50 0 IJAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccc(F)cc1 ZINC000000646567 555521000 /nfs/dbraw/zinc/52/10/00/555521000.db2.gz XCXNKFSXIYHKCU-UHFFFAOYSA-N 0 0 427.448 4.772 50 0 IJAARN CCc1ccc(-c2cc(C(=O)N3NC(C(F)F)=C[C@]3(O)C(F)F)c3ccccc3n2)cc1 ZINC000000654445 555524380 /nfs/dbraw/zinc/52/43/80/555524380.db2.gz GHYOMXJROFJFJQ-QHCPKHFHSA-N 0 0 445.416 4.885 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)nc1 ZINC000000657439 555525463 /nfs/dbraw/zinc/52/54/63/555525463.db2.gz JZMYKFGESTWECY-RTWAWAEBSA-N 0 0 429.564 4.584 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CSc2ccccc2)cc1 ZINC000000667343 555529223 /nfs/dbraw/zinc/52/92/23/555529223.db2.gz ZPCUYLJIQZNPIW-UHFFFAOYSA-N 0 0 432.545 4.704 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000674343 555533062 /nfs/dbraw/zinc/53/30/62/555533062.db2.gz COMWCLXTPNRWGJ-UHFFFAOYSA-N 0 0 425.282 4.719 50 0 IJAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 ZINC000000674181 555533133 /nfs/dbraw/zinc/53/31/33/555533133.db2.gz DLADNPSWJHNPLX-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000000674209 555533145 /nfs/dbraw/zinc/53/31/45/555533145.db2.gz ZJUPUUDKNLYUOV-NVXWUHKLSA-N 0 0 436.459 4.544 50 0 IJAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 ZINC000000674899 555533756 /nfs/dbraw/zinc/53/37/56/555533756.db2.gz JOQMYFRHTQQNFT-VQTJNVASSA-N 0 0 444.457 4.525 50 0 IJAARN COC(=O)c1c(NC(=O)COc2ccc(Br)cc2C)sc2c1CCCC2 ZINC000000674996 555534075 /nfs/dbraw/zinc/53/40/75/555534075.db2.gz QKOKQZOACPPGON-UHFFFAOYSA-N 0 0 438.343 4.502 50 0 IJAARN CCc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000000682089 555537733 /nfs/dbraw/zinc/53/77/33/555537733.db2.gz GLQASABAMSGATI-UHFFFAOYSA-N 0 0 433.327 4.949 50 0 IJAARN COc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)c2ccccc12 ZINC000000683350 555538620 /nfs/dbraw/zinc/53/86/20/555538620.db2.gz ISDGFLJBCNHFAO-QHCPKHFHSA-N 0 0 444.516 4.866 50 0 IJAARN CSc1nnc2c(n1)O[C@H](c1ccc(C(F)(F)F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000000684873 555539444 /nfs/dbraw/zinc/53/94/44/555539444.db2.gz VGMZNZXPWNVPJE-GOSISDBHSA-N 0 0 432.427 4.723 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1 ZINC000000687383 555540375 /nfs/dbraw/zinc/54/03/75/555540375.db2.gz FHFXYBLNZQIJNK-UHFFFAOYSA-N 0 0 449.399 4.697 50 0 IJAARN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 ZINC000000702491 555543215 /nfs/dbraw/zinc/54/32/15/555543215.db2.gz OKJACAMLMZNQDV-UHFFFAOYSA-N 0 0 449.576 4.991 50 0 IJAARN COc1ccc(OC)c(NC(=O)Cc2c(OC)ccc3cc(Br)ccc32)c1 ZINC000000703763 555544012 /nfs/dbraw/zinc/54/40/12/555544012.db2.gz QMDPLFUDQCQFKP-UHFFFAOYSA-N 0 0 430.298 4.809 50 0 IJAARN COc1cc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc(OC)c1OC ZINC000000715003 555548289 /nfs/dbraw/zinc/54/82/89/555548289.db2.gz PGYPFHOIQRWRSK-UHFFFAOYSA-N 0 0 427.526 4.781 50 0 IJAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CCc2ccccc21 ZINC000000720070 555549737 /nfs/dbraw/zinc/54/97/37/555549737.db2.gz JCQGVXAXGMIESQ-UHFFFAOYSA-N 0 0 430.867 4.949 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000000720748 555549855 /nfs/dbraw/zinc/54/98/55/555549855.db2.gz NDXGAVFCTCHOCE-DNQXCXABSA-N 0 0 431.488 4.798 50 0 IJAARN COc1ccc(O[C@@H]2C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729389 555552547 /nfs/dbraw/zinc/55/25/47/555552547.db2.gz XUJZOPWPXQIPOU-DQEYMECFSA-N 0 0 433.504 4.865 50 0 IJAARN CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)Nc3ccc(Cl)cn3)nc21 ZINC000000781504 555555260 /nfs/dbraw/zinc/55/52/60/555555260.db2.gz WKYAPYGWXVHXLB-INIZCTEOSA-N 0 0 440.960 4.947 50 0 IJAARN O=C(CS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000000805947 555559928 /nfs/dbraw/zinc/55/99/28/555559928.db2.gz MINTXEIUJGGDGN-OAHLLOKOSA-N 0 0 443.739 4.651 50 0 IJAARN O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCCc1ccccc1 ZINC000000827382 555565412 /nfs/dbraw/zinc/56/54/12/555565412.db2.gz BWKSMPVMQSCATA-UHFFFAOYSA-N 0 0 432.524 4.524 50 0 IJAARN CCOc1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000000827726 555565736 /nfs/dbraw/zinc/56/57/36/555565736.db2.gz MLWOZQHBEGASTB-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN Cc1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000000829949 555566008 /nfs/dbraw/zinc/56/60/08/555566008.db2.gz RWSOEFNPTPZOEQ-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)C1c3ccccc3C2c2ccccc21 ZINC000000837099 555567380 /nfs/dbraw/zinc/56/73/80/555567380.db2.gz ARWSYFVGOOXPJO-UJKMTWAASA-N 0 0 430.301 4.846 50 0 IJAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)cc2)cc1 ZINC000000854517 555571029 /nfs/dbraw/zinc/57/10/29/555571029.db2.gz GHKRFQUQCVQLNE-UHFFFAOYSA-N 0 0 440.590 4.859 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1OC ZINC000000881582 555577671 /nfs/dbraw/zinc/57/76/71/555577671.db2.gz XPXKYDOEJYIEIP-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)Nc1ccccc1 ZINC000000916181 555583533 /nfs/dbraw/zinc/58/35/33/555583533.db2.gz MODMTJZRCKDPMH-UHFFFAOYSA-N 0 0 430.533 4.636 50 0 IJAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc(C)c1-c1ccccc1 ZINC000000937365 555586205 /nfs/dbraw/zinc/58/62/05/555586205.db2.gz JTMGXKAFWFFUMG-UHFFFAOYSA-N 0 0 441.505 4.788 50 0 IJAARN COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1Cl ZINC000000941386 555586977 /nfs/dbraw/zinc/58/69/77/555586977.db2.gz OBWPMFNQAPFBBM-UHFFFAOYSA-N 0 0 428.847 4.758 50 0 IJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OCC)cc1)cc2Cl ZINC000000944071 555587708 /nfs/dbraw/zinc/58/77/08/555587708.db2.gz ZMEGPWOXBJLOOJ-UHFFFAOYSA-N 0 0 437.901 4.771 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 ZINC000000986059 555594755 /nfs/dbraw/zinc/59/47/55/555594755.db2.gz KKOZURZYSBTTFE-LADGPHEKSA-N 0 0 439.540 4.824 50 0 biogenic IJAARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(N)=O)c(N)c3cc2C1 ZINC000001010416 555601686 /nfs/dbraw/zinc/60/16/86/555601686.db2.gz JQWOJYMLWBXBOQ-AWEZNQCLSA-N 0 0 436.581 4.771 50 0 IJAARN CCOC(=O)c1sc(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c(C(=O)OCC)c1C ZINC000001009447 555601698 /nfs/dbraw/zinc/60/16/98/555601698.db2.gz KWZQKZOPUGFUBB-GXFFZTMASA-N 0 0 448.368 4.940 50 0 IJAARN Cc1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000001017061 555602795 /nfs/dbraw/zinc/60/27/95/555602795.db2.gz ADWRDHPKAVTSKL-JTQLQIEISA-N 0 0 429.108 4.632 50 0 IJAARN CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)NCc1ccccc1 ZINC000001047140 555611274 /nfs/dbraw/zinc/61/12/74/555611274.db2.gz ZEBUIMZFQDUKHL-UHFFFAOYSA-N 0 0 433.913 4.564 50 0 IJAARN CCOC(=O)C1=C(CSc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001059706 555615799 /nfs/dbraw/zinc/61/57/99/555615799.db2.gz ARNSPWNBWMCTQW-GOSISDBHSA-N 0 0 437.348 4.957 50 0 IJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000001070199 555620803 /nfs/dbraw/zinc/62/08/03/555620803.db2.gz UFXQDGLLCJCKHJ-UHFFFAOYSA-N 0 0 428.872 4.990 50 0 IJAARN COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(F)c1F ZINC000001070994 555621144 /nfs/dbraw/zinc/62/11/44/555621144.db2.gz DPDJLPVGOJILDZ-UHFFFAOYSA-N 0 0 432.373 4.685 50 0 IJAARN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 ZINC000001074885 555623679 /nfs/dbraw/zinc/62/36/79/555623679.db2.gz BEGKXXXIAVVHRO-UHFFFAOYSA-N 0 0 443.326 4.722 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 ZINC000001091376 555627241 /nfs/dbraw/zinc/62/72/41/555627241.db2.gz ACFOJLAQJKRVIR-PGAZUGQPSA-N 0 0 441.914 4.788 50 0 IJAARN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000001110803 555631424 /nfs/dbraw/zinc/63/14/24/555631424.db2.gz NLHBGLKTPVZASR-IBGZPJMESA-N 0 0 438.549 4.889 50 0 IJAARN CCc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001112318 555632448 /nfs/dbraw/zinc/63/24/48/555632448.db2.gz YBOMOPVKWOOQHJ-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000001113524 555632976 /nfs/dbraw/zinc/63/29/76/555632976.db2.gz VYRVKNUCESIQHY-JOCHJYFZSA-N 0 0 436.533 4.552 50 0 IJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(I)cc2C(F)(F)F)c1 ZINC000001115776 555634221 /nfs/dbraw/zinc/63/42/21/555634221.db2.gz ZNGACYLJQGILDY-UHFFFAOYSA-N 0 0 449.210 4.944 50 0 IJAARN O=C(OCc1c(F)cccc1Cl)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 ZINC000001116010 555634482 /nfs/dbraw/zinc/63/44/82/555634482.db2.gz QECCROVPVOVZAH-UHFFFAOYSA-N 0 0 432.900 4.951 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000001119528 555636639 /nfs/dbraw/zinc/63/66/39/555636639.db2.gz UAYWPZBCUXBLKR-UHFFFAOYSA-N 0 0 431.359 4.686 50 0 IJAARN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000001120128 555637344 /nfs/dbraw/zinc/63/73/44/555637344.db2.gz HERIIULBYYDKBJ-UHFFFAOYSA-N 0 0 432.611 4.591 50 0 IJAARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000001124690 555640038 /nfs/dbraw/zinc/64/00/38/555640038.db2.gz IIWWJEQUZWUFGY-AVPSXBMNSA-N 0 0 426.277 4.851 50 0 IJAARN CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl ZINC000001126827 555641388 /nfs/dbraw/zinc/64/13/88/555641388.db2.gz GMJNVCJPUXYLSY-KRWDZBQOSA-N 0 0 438.286 4.798 50 0 IJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000001127078 555641635 /nfs/dbraw/zinc/64/16/35/555641635.db2.gz UWMZVUAPLFIDCQ-UHFFFAOYSA-N 0 0 434.546 4.929 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1C[C@@H]1COc2ccccc2O1 ZINC000001131267 555644857 /nfs/dbraw/zinc/64/48/57/555644857.db2.gz APGRWLUIJNVXEY-GOSISDBHSA-N 0 0 434.492 4.668 50 0 IJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1C[C@H]1COc2ccccc2O1 ZINC000001131265 555644898 /nfs/dbraw/zinc/64/48/98/555644898.db2.gz APGRWLUIJNVXEY-SFHVURJKSA-N 0 0 434.492 4.668 50 0 IJAARN COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c(OC)cc1Cl ZINC000001138581 555648451 /nfs/dbraw/zinc/64/84/51/555648451.db2.gz PRPHQJIHHGIHDT-MXXWWZHRSA-N 0 0 445.902 4.754 50 0 IJAARN CSc1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000001140562 555649731 /nfs/dbraw/zinc/64/97/31/555649731.db2.gz IKKVMPHMABYZNT-UHFFFAOYSA-N 0 0 426.563 4.627 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000001142237 555650718 /nfs/dbraw/zinc/65/07/18/555650718.db2.gz NYCVDEYICHYGKZ-UHFFFAOYSA-N 0 0 444.771 4.610 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-c1ccc(C)cc1 ZINC000001145179 555652666 /nfs/dbraw/zinc/65/26/66/555652666.db2.gz NVOHVWJOCPVIKL-UHFFFAOYSA-N 0 0 435.322 4.517 50 0 IJAARN O=C(COc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Br)cc1 ZINC000001155163 555658452 /nfs/dbraw/zinc/65/84/52/555658452.db2.gz YCGVMJFTOKUAGJ-UHFFFAOYSA-N 0 0 436.261 4.511 50 0 IJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001157347 555659524 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CC(C)Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 ZINC000001205112 555680247 /nfs/dbraw/zinc/68/02/47/555680247.db2.gz UQKZWFCQQFXKED-UHFFFAOYSA-N 0 0 441.578 4.522 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2c(OC)ccc3ccccc32)cc1 ZINC000001209747 555681828 /nfs/dbraw/zinc/68/18/28/555681828.db2.gz LMQCDSWQDAEEEQ-QHCPKHFHSA-N 0 0 447.560 4.679 50 0 IJAARN O=C(NCc1cccnc1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000001214140 555683356 /nfs/dbraw/zinc/68/33/56/555683356.db2.gz XELMLWONEGVQNO-HUUCEWRRSA-N 0 0 435.837 4.522 50 0 IJAARN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCC[C@@H]3C)cc2c1 ZINC000001224925 555685933 /nfs/dbraw/zinc/68/59/33/555685933.db2.gz PJQPCTCWZSQUFP-SBUREZEXSA-N 0 0 434.588 4.546 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000009883713 555690590 /nfs/dbraw/zinc/69/05/90/555690590.db2.gz SMDYFSSPQZJZLL-RUDMXATFSA-N 0 0 431.357 4.984 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)c1cccc(OC)c1 ZINC000001439761 555697436 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4.896 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(OC)cc2)cc1 ZINC000002200302 555757461 /nfs/dbraw/zinc/75/74/61/555757461.db2.gz HMGRWWPSTLEMFO-UHFFFAOYSA-N 0 0 445.548 4.631 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000071891892 555764668 /nfs/dbraw/zinc/76/46/68/555764668.db2.gz SWVNANQYUFEPAA-LJQANCHMSA-N 0 0 425.460 4.991 50 0 IJAARN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002320489 555768218 /nfs/dbraw/zinc/76/82/18/555768218.db2.gz BXIRFNUOFLMUSX-RPBOFIJWSA-N 0 0 440.543 4.798 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000002433188 555778816 /nfs/dbraw/zinc/77/88/16/555778816.db2.gz TXGXLJNQOMLSDM-UHFFFAOYSA-N 0 0 434.496 4.813 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccco2)cc1 ZINC000002453112 555782359 /nfs/dbraw/zinc/78/23/59/555782359.db2.gz KMSVTLNJEMQHQM-UHFFFAOYSA-N 0 0 442.447 4.545 50 0 IJAARN COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 ZINC000002454343 555782533 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CCOc1ccc(OCc2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000002751694 555810314 /nfs/dbraw/zinc/81/03/14/555810314.db2.gz VFSWRSFWYFJRSC-UHFFFAOYSA-N 0 0 427.453 4.535 50 0 IJAARN COc1cc2c(cc1N1CC[C@@H](C(=O)N[C@H](C)c3ccccc3)C1=O)oc1ccccc12 ZINC000034696181 555810625 /nfs/dbraw/zinc/81/06/25/555810625.db2.gz QDPOQTLJWCGXFP-APWZRJJASA-N 0 0 428.488 4.825 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1NC(=O)c1cccs1 ZINC000002758335 555811865 /nfs/dbraw/zinc/81/18/65/555811865.db2.gz UEVQNEBVPNUNGV-UHFFFAOYSA-N 0 0 444.534 4.808 50 0 IJAARN CC(C)CC(=O)N1CCCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000034680626 555813409 /nfs/dbraw/zinc/81/34/09/555813409.db2.gz XCCCWUYULSKBKX-UHFFFAOYSA-N 0 0 436.600 4.716 50 0 IJAARN Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccco2)CC1 ZINC000034683719 555819512 /nfs/dbraw/zinc/81/95/12/555819512.db2.gz HCGRZUIHKNIGSI-UHFFFAOYSA-N 0 0 428.529 4.587 50 0 IJAARN C[C@H](NC(=O)c1csc(CN2CCN(c3ccc(Cl)cc3)CC2)n1)c1ccccc1 ZINC000034685344 555820580 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/nfs/dbraw/zinc/83/86/95/555838695.db2.gz POFFRXGPDVFGFD-UHFFFAOYSA-N 0 0 432.394 4.619 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1 ZINC000002851212 555839536 /nfs/dbraw/zinc/83/95/36/555839536.db2.gz RIOGLTAJVBMJIU-UHFFFAOYSA-N 0 0 439.562 4.753 50 0 IJAARN COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1cc2ccccc2o1 ZINC000002856773 555842028 /nfs/dbraw/zinc/84/20/28/555842028.db2.gz OXBYCTXHTONEEL-UHFFFAOYSA-N 0 0 430.416 4.675 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000002861272 555844450 /nfs/dbraw/zinc/84/44/50/555844450.db2.gz OGXMEMZDJUCOHS-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC1CCCCC1 ZINC000002862742 555845798 /nfs/dbraw/zinc/84/57/98/555845798.db2.gz VSVMLNKNUBVFLA-UHFFFAOYSA-N 0 0 427.957 4.580 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000034714290 555846709 /nfs/dbraw/zinc/84/67/09/555846709.db2.gz RJJLJXUQSLJUNN-KRWDZBQOSA-N 0 0 428.941 4.951 50 0 IJAARN Cc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000002872971 555850713 /nfs/dbraw/zinc/85/07/13/555850713.db2.gz SEDGJCQNDIFAPV-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1cccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002877366 555852953 /nfs/dbraw/zinc/85/29/53/555852953.db2.gz AKORQZULKUYTEO-UHFFFAOYSA-N 0 0 434.989 4.683 50 0 IJAARN O=C(NCCOc1ccccc1-c1ccccc1)c1ccccc1I ZINC000002877809 555853209 /nfs/dbraw/zinc/85/32/09/555853209.db2.gz CPYBXUAJTQYNCF-UHFFFAOYSA-N 0 0 443.284 4.767 50 0 IJAARN O=C(NC(=S)N(CCCCO)C1CCCCC1)c1sc2ccccc2c1Cl ZINC000002877884 555853277 /nfs/dbraw/zinc/85/32/77/555853277.db2.gz RBUYNDGZDNIJEG-UHFFFAOYSA-N 0 0 425.019 4.977 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000002883379 555856934 /nfs/dbraw/zinc/85/69/34/555856934.db2.gz HRHFHEMBPYTSSB-CQSZACIVSA-N 0 0 435.387 4.849 50 0 IJAARN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)Cc1ccccc1 ZINC000002883802 555856954 /nfs/dbraw/zinc/85/69/54/555856954.db2.gz QBTNIPHLWDCSQR-UHFFFAOYSA-N 0 0 428.513 4.824 50 0 IJAARN CCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1-2 ZINC000002911820 555862018 /nfs/dbraw/zinc/86/20/18/555862018.db2.gz AGRRYOMGBCYTTC-GOSISDBHSA-N 0 0 428.901 4.926 50 0 IJAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC000002931967 555864106 /nfs/dbraw/zinc/86/41/06/555864106.db2.gz IHPIQHRSMZKEMV-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1Br ZINC000002978690 555870910 /nfs/dbraw/zinc/87/09/10/555870910.db2.gz PTYKSTPCGYJJTE-UHFFFAOYSA-N 0 0 448.386 4.575 50 0 IJAARN O=C(Nc1nc2ccccc2s1)c1cccc(C(=O)Nc2nc3ccccc3s2)n1 ZINC000002986230 555873996 /nfs/dbraw/zinc/87/39/96/555873996.db2.gz LYJGEWKGTILYII-UHFFFAOYSA-N 0 0 431.502 4.806 50 0 IJAARN CCCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCO4)c(Cl)cc12 ZINC000002996694 555876324 /nfs/dbraw/zinc/87/63/24/555876324.db2.gz NYBXEZXVJJQGRY-UHFFFAOYSA-N 0 0 429.856 4.535 50 0 IJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)cc1)c1ccccc1F ZINC000034734532 555879360 /nfs/dbraw/zinc/87/93/60/555879360.db2.gz KXQSZRDSQLGAIR-UHFFFAOYSA-N 0 0 447.466 4.639 50 0 IJAARN COc1ccccc1CN1CCCN(c2ccc(NC(=O)c3ccccc3OC)cc2)C1=O ZINC000034734489 555879399 /nfs/dbraw/zinc/87/93/99/555879399.db2.gz YPHXAGFUEMJSAN-UHFFFAOYSA-N 0 0 445.519 4.788 50 0 IJAARN O=C(Cc1cccs1)N1C[C@@H](C(=O)NCc2cccc(F)c2)CC[C@@H]1c1ccccc1 ZINC000034739961 555883035 /nfs/dbraw/zinc/88/30/35/555883035.db2.gz DBCXPHYMNJMKHQ-NZQKXSOJSA-N 0 0 436.552 4.726 50 0 IJAARN Nc1c(NC(=O)NCc2ccccn2)c(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000034785479 555896218 /nfs/dbraw/zinc/89/62/18/555896218.db2.gz CDLHKABBLHDDGL-UHFFFAOYSA-N 0 0 432.915 4.551 50 0 IJAARN COc1cccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccsc2)CC3)c1 ZINC000034755841 555901118 /nfs/dbraw/zinc/90/11/18/555901118.db2.gz KTSWCXDGRWZKEM-UHFFFAOYSA-N 0 0 436.581 4.888 50 0 IJAARN Cc1ccc(Oc2nc(N3CCC(C)CC3)nc3c2CN(C(=O)c2ccoc2)CC3)cc1 ZINC000034759303 555903837 /nfs/dbraw/zinc/90/38/37/555903837.db2.gz OHTDBIQLQWQTEF-UHFFFAOYSA-N 0 0 432.524 4.605 50 0 IJAARN COc1cccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)C[C@@H]2C)c1 ZINC000034812592 555909756 /nfs/dbraw/zinc/90/97/56/555909756.db2.gz BARZPPNGLXEAEI-SFHVURJKSA-N 0 0 427.504 4.726 50 0 IJAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)Cc3ccccc3)CC1)=N2 ZINC000034813739 555910682 /nfs/dbraw/zinc/91/06/82/555910682.db2.gz UUSPITMXARHXKV-UHFFFAOYSA-N 0 0 425.532 4.874 50 0 IJAARN CCOC(=O)CCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1 ZINC000034908135 555921536 /nfs/dbraw/zinc/92/15/36/555921536.db2.gz MQAHTSMLPAGXOK-IBGZPJMESA-N 0 0 428.435 4.780 50 0 IJAARN CN1C(=S)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000034915798 555930297 /nfs/dbraw/zinc/93/02/97/555930297.db2.gz JCQXPRQICFUJFQ-FYJGNVAPSA-N 0 0 444.512 4.599 50 0 IJAARN CCCN(CCC)C(=O)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034916960 555930634 /nfs/dbraw/zinc/93/06/34/555930634.db2.gz KEDTXMWKVSWTMU-AWEZNQCLSA-N 0 0 438.412 4.721 50 0 IJAARN CN(C)c1ccc(NC(=O)C(C)(C)C)cc1CN(C[C@H]1CCCO1)C(=O)c1cccs1 ZINC000034921650 555932063 /nfs/dbraw/zinc/93/20/63/555932063.db2.gz ASOAZLRBBCOMCD-LJQANCHMSA-N 0 0 443.613 4.620 50 0 IJAARN O=C(Nc1ccccc1)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000034921742 555932120 /nfs/dbraw/zinc/93/21/20/555932120.db2.gz JWPVFULMZGMATH-UHFFFAOYSA-N 0 0 440.496 4.790 50 0 IJAARN CCCCC(=O)Nc1ccc(N(C)C)c(CN(C[C@H]2CCCO2)C(=O)c2cccs2)c1 ZINC000034921648 555932129 /nfs/dbraw/zinc/93/21/29/555932129.db2.gz BKEHNSFBHAKQDC-HXUWFJFHSA-N 0 0 443.613 4.764 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccncc1 ZINC000003405897 555933258 /nfs/dbraw/zinc/93/32/58/555933258.db2.gz WROUOJZCMSOHSP-UHFFFAOYSA-N 0 0 441.866 4.763 50 0 IJAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000034927361 555933329 /nfs/dbraw/zinc/93/33/29/555933329.db2.gz UJQJSLJSWNWXMW-UHFFFAOYSA-N 0 0 434.483 4.726 50 0 IJAARN O=C1OC(c2ccccc2I)=N/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000003569465 555939810 /nfs/dbraw/zinc/93/98/10/555939810.db2.gz CDNRHXJRWOXVNP-RIYZIHGNSA-N 0 0 444.055 4.943 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000003638248 555942760 /nfs/dbraw/zinc/94/27/60/555942760.db2.gz KJDWMLZQNIHBIW-UHFFFAOYSA-N 0 0 446.020 4.726 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000003656009 555944337 /nfs/dbraw/zinc/94/43/37/555944337.db2.gz LCSVPDOEVJOOAD-QHCPKHFHSA-N 0 0 427.456 4.643 50 0 IJAARN CCOc1ccc2nc(Nc3nc(CSc4ccc(C)cc4)cc(=O)[nH]3)nc(C)c2c1 ZINC000003855439 555949335 /nfs/dbraw/zinc/94/93/35/555949335.db2.gz PDYAPWXBBBFVTJ-UHFFFAOYSA-N 0 0 433.537 4.765 50 0 IJAARN CCc1ccc(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)n2Cc2ccccc2)cc1 ZINC000002363165 556083855 /nfs/dbraw/zinc/08/38/55/556083855.db2.gz YJVUHQDOSWHUJK-UHFFFAOYSA-N 0 0 436.515 4.821 50 0 IJAARN CN(C)c1ccc(NC(=O)c2cccc(F)c2)cc1CN(CC1CC1)C(=O)C(C)(C)C ZINC000006722050 556102007 /nfs/dbraw/zinc/10/20/07/556102007.db2.gz HIWPULRWQJWWHL-UHFFFAOYSA-N 0 0 425.548 4.929 50 0 IJAARN Cc1ccccc1Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)ccc21 ZINC000002691762 556120049 /nfs/dbraw/zinc/12/00/49/556120049.db2.gz SBIVWPFJJARJAG-UHFFFAOYSA-N 0 0 441.911 4.984 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccccc1F ZINC000002691849 556120282 /nfs/dbraw/zinc/12/02/82/556120282.db2.gz WEJNSRQNIPCHIC-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000002704179 556123229 /nfs/dbraw/zinc/12/32/29/556123229.db2.gz QYIFVQFPOJYERN-QHCPKHFHSA-N 0 0 445.446 4.700 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002704396 556123567 /nfs/dbraw/zinc/12/35/67/556123567.db2.gz MTISPGVLQAHILE-SFHVURJKSA-N 0 0 433.489 4.526 50 0 IJAARN CCOc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000002704583 556123911 /nfs/dbraw/zinc/12/39/11/556123911.db2.gz KUDNVIXJMHPQGR-DEOSSOPVSA-N 0 0 441.483 4.951 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000002711663 556125063 /nfs/dbraw/zinc/12/50/63/556125063.db2.gz GUKGFIAPXVTIKW-UHFFFAOYSA-N 0 0 434.892 4.653 50 0 IJAARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2cccc(Cl)c2)CCS3)cc1 ZINC000002719801 556125980 /nfs/dbraw/zinc/12/59/80/556125980.db2.gz COSFCTZHQPHDOZ-UHFFFAOYSA-N 0 0 443.981 4.573 50 0 IJAARN C[C@@H]1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000002723399 556128511 /nfs/dbraw/zinc/12/85/11/556128511.db2.gz BKWPNHLUWQBSOX-LLVKDONJSA-N 0 0 430.020 4.598 50 0 IJAARN Cc1ccc(CN2CCc3c(OCC(=O)Nc4cc(C)cc(C)c4)cccc3C2=O)cc1 ZINC000002716426 556130747 /nfs/dbraw/zinc/13/07/47/556130747.db2.gz BEMQJCJRTNBJON-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O ZINC000002716446 556130761 /nfs/dbraw/zinc/13/07/61/556130761.db2.gz OATDRVIZHXWKBN-HXUWFJFHSA-N 0 0 440.971 4.708 50 0 IJAARN Cc1ccccc1CN1CCc2c(OCC(=O)Nc3cccc(C)c3C)cccc2C1=O ZINC000002716591 556131383 /nfs/dbraw/zinc/13/13/83/556131383.db2.gz QRSCKIJPNGRUFQ-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1cc(C)cc(C)c1 ZINC000002718305 556131563 /nfs/dbraw/zinc/13/15/63/556131563.db2.gz GPPFKNGUZFYKLF-QFIPXVFZSA-N 0 0 442.625 4.973 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002778814 556141309 /nfs/dbraw/zinc/14/13/09/556141309.db2.gz NUXNMHPHMJFSIT-UHFFFAOYSA-N 0 0 425.208 4.698 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002794806 556145276 /nfs/dbraw/zinc/14/52/76/556145276.db2.gz FHXAHLMZCQCRMW-UHFFFAOYSA-N 0 0 442.647 4.866 50 0 IJAARN COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000008399446 556165259 /nfs/dbraw/zinc/16/52/59/556165259.db2.gz FVIMBPVIAIUCQK-FYJGNVAPSA-N 0 0 433.485 4.628 50 0 IJAARN COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)NC2=S)cc1 ZINC000008399582 556165266 /nfs/dbraw/zinc/16/52/66/556165266.db2.gz KMMHQQDPXZHIFG-HAHDFKILSA-N 0 0 439.540 4.960 50 0 IJAARN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)OC1CCCCC1 ZINC000008435644 556173367 /nfs/dbraw/zinc/17/33/67/556173367.db2.gz LDMXMFXFEJAPCS-UHFFFAOYSA-N 0 0 442.507 4.897 50 0 IJAARN O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)c1ccc(F)cc1 ZINC000008437085 556173634 /nfs/dbraw/zinc/17/36/34/556173634.db2.gz YGGUEOORCCHWAJ-UHFFFAOYSA-N 0 0 431.558 4.807 50 0 IJAARN CCCCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 ZINC000008442160 556177111 /nfs/dbraw/zinc/17/71/11/556177111.db2.gz FPIOIMUOXUOSGI-JCMHNJIXSA-N 0 0 444.512 4.674 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000008443412 556178399 /nfs/dbraw/zinc/17/83/99/556178399.db2.gz KYGPPJDRBIHQLH-UHFFFAOYSA-N 0 0 428.554 4.805 50 0 IJAARN COc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000008594266 556189630 /nfs/dbraw/zinc/18/96/30/556189630.db2.gz WKXOPQGHAXBUEW-SFHVURJKSA-N 0 0 449.503 4.619 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000008595450 556190180 /nfs/dbraw/zinc/19/01/80/556190180.db2.gz BDQKQMBEJPKGEG-JOCHJYFZSA-N 0 0 445.500 4.770 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 ZINC000008599535 556190570 /nfs/dbraw/zinc/19/05/70/556190570.db2.gz OWOYMUIZUPVFDZ-QHCPKHFHSA-N 0 0 449.551 4.892 50 0 IJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1OC ZINC000008604610 556191381 /nfs/dbraw/zinc/19/13/81/556191381.db2.gz DZAJFTZBMZBJDM-NRFANRHFSA-N 0 0 438.505 4.506 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(Cl)c1 ZINC000008641730 556195360 /nfs/dbraw/zinc/19/53/60/556195360.db2.gz IUKWUIUFWCZEAF-UHFFFAOYSA-N 0 0 448.013 4.875 50 0 IJAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000008723179 556203675 /nfs/dbraw/zinc/20/36/75/556203675.db2.gz WKHITHFVPTYJNN-INIZCTEOSA-N 0 0 440.721 4.678 50 0 IJAARN CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000008763745 556211786 /nfs/dbraw/zinc/21/17/86/556211786.db2.gz FWUKKPIIDJLXLF-UHFFFAOYSA-N 0 0 441.866 4.628 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000008781408 556214946 /nfs/dbraw/zinc/21/49/46/556214946.db2.gz KXKLLPGYCJYKGF-BLLLJJGKSA-N 0 0 436.415 4.586 50 0 IJAARN Cc1oc2c(cc3c(C)c(CC(=O)NC[C@H]4CCCO4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000008791591 556216076 /nfs/dbraw/zinc/21/60/76/556216076.db2.gz PBWNCVITPIMNKS-LJQANCHMSA-N 0 0 445.515 4.969 50 0 biogenic IJAARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000008875076 556230258 /nfs/dbraw/zinc/23/02/58/556230258.db2.gz MDNXFRCSUNQHAS-UHFFFAOYSA-N 0 0 434.275 4.566 50 0 IJAARN COc1ccccc1C(=O)C[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000008922713 556233806 /nfs/dbraw/zinc/23/38/06/556233806.db2.gz JQWXHCLLUMWCFN-RUZDIDTESA-N 0 0 435.907 4.664 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)sc1C ZINC000009147055 556249555 /nfs/dbraw/zinc/24/95/55/556249555.db2.gz AOHRQOBVTOBEHD-OAHLLOKOSA-N 0 0 436.566 4.522 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000009161166 556249740 /nfs/dbraw/zinc/24/97/40/556249740.db2.gz NOCLBWRGIHNWCM-OAQYLSRUSA-N 0 0 432.863 4.908 50 0 IJAARN CCc1ccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)cc1 ZINC000009189588 556252348 /nfs/dbraw/zinc/25/23/48/556252348.db2.gz HLQHPBMYATVXKH-FQEVSTJZSA-N 0 0 433.581 4.867 50 0 biogenic IJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)c1 ZINC000009199458 556257105 /nfs/dbraw/zinc/25/71/05/556257105.db2.gz XQFHSYVYNXVLNI-HNNXBMFYSA-N 0 0 426.929 4.581 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)c1 ZINC000009225674 556259535 /nfs/dbraw/zinc/25/95/35/556259535.db2.gz AMWLNUWVYURITJ-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN Cc1cc(C)cc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000009225793 556259755 /nfs/dbraw/zinc/25/97/55/556259755.db2.gz FVEXQCZUUHVQOG-VWLOTQADSA-N 0 0 432.520 4.922 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)cc1F ZINC000009225739 556259774 /nfs/dbraw/zinc/25/97/74/556259774.db2.gz HPLNSYPEZZBFAF-DEOSSOPVSA-N 0 0 436.483 4.753 50 0 IJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1C ZINC000009225789 556259844 /nfs/dbraw/zinc/25/98/44/556259844.db2.gz XXPVQGSXLCMYSG-RUZDIDTESA-N 0 0 432.520 4.922 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3c(C)cccc3C)CC2=O)cc1 ZINC000009234560 556263060 /nfs/dbraw/zinc/26/30/60/556263060.db2.gz QLTCPSHRTNKOLN-HXUWFJFHSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000009234552 556263153 /nfs/dbraw/zinc/26/31/53/556263153.db2.gz HRKJYLAAXTYNGJ-IBGZPJMESA-N 0 0 427.504 4.547 50 0 IJAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009235721 556263501 /nfs/dbraw/zinc/26/35/01/556263501.db2.gz OPSLZNRCKGICGF-UHFFFAOYSA-N 0 0 441.862 4.648 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009239274 556265755 /nfs/dbraw/zinc/26/57/55/556265755.db2.gz YDDQTKMGXKRZFL-MOPGFXCFSA-N 0 0 427.961 4.509 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cc(Cl)ccc1C)S2 ZINC000009239561 556265789 /nfs/dbraw/zinc/26/57/89/556265789.db2.gz SAOWBFHCLXGKMQ-RBUKOAKNSA-N 0 0 427.961 4.590 50 0 IJAARN CC(C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O ZINC000009260925 556268631 /nfs/dbraw/zinc/26/86/31/556268631.db2.gz KNMVOTIMQHMKKC-RGVLZGJSSA-N 0 0 437.496 4.864 50 0 IJAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000009262264 556269487 /nfs/dbraw/zinc/26/94/87/556269487.db2.gz SGYHKZXNKFXPTE-VBEHJTROSA-N 0 0 431.897 4.517 50 0 IJAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3Sc3ccccc3)C2=O)c1 ZINC000009262516 556269543 /nfs/dbraw/zinc/26/95/43/556269543.db2.gz WLLGBRLJRFMGFK-RCCKNPSSSA-N 0 0 443.528 4.678 50 0 IJAARN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2OC)cc1 ZINC000009288287 556272763 /nfs/dbraw/zinc/27/27/63/556272763.db2.gz LOGUFNLWRUEBAY-XMMPIXPASA-N 0 0 440.503 4.981 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009294991 556274627 /nfs/dbraw/zinc/27/46/27/556274627.db2.gz WNVKRQDMYHCVTB-OALUTQOASA-N 0 0 427.961 4.590 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000009307263 556277228 /nfs/dbraw/zinc/27/72/28/556277228.db2.gz VVCFPGYMQYJKKT-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccco2)c1 ZINC000009307834 556277574 /nfs/dbraw/zinc/27/75/74/556277574.db2.gz IMVRKVLQGBNBTN-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN COc1ccc(-c2nc(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)cs2)cc1OC ZINC000013690176 556279281 /nfs/dbraw/zinc/27/92/81/556279281.db2.gz FTYLGQDUYKKKED-OAHLLOKOSA-N 0 0 435.549 4.599 50 0 IJAARN O=C(Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCCC3)c1ccccc1 ZINC000013691832 556281399 /nfs/dbraw/zinc/28/13/99/556281399.db2.gz SFRGBHJXQZSHKE-UHFFFAOYSA-N 0 0 440.528 4.534 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)NCCc3ccc(Cl)cc3Cl)c(=O)oc2c1 ZINC000013720190 556289337 /nfs/dbraw/zinc/28/93/37/556289337.db2.gz KRLRQCQGAXOHJJ-UHFFFAOYSA-N 0 0 434.319 4.708 50 0 IJAARN COc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)c2c1 ZINC000013723159 556291592 /nfs/dbraw/zinc/29/15/92/556291592.db2.gz HVANHDWUOWCYMO-UHFFFAOYSA-N 0 0 425.941 4.855 50 0 IJAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)CC2)cc1 ZINC000009526228 556297044 /nfs/dbraw/zinc/29/70/44/556297044.db2.gz ZXIFKDQCNNDQTP-UHFFFAOYSA-N 0 0 443.547 4.527 50 0 IJAARN Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c(OCc3ccccc3)c21 ZINC000013734965 556297463 /nfs/dbraw/zinc/29/74/63/556297463.db2.gz ULYOLAGDRHOKCV-UHFFFAOYSA-N 0 0 445.544 4.718 50 0 IJAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccc(F)cc4)cc3)CCOCC2)cc1 ZINC000013751861 556299438 /nfs/dbraw/zinc/29/94/38/556299438.db2.gz VCKAHTWGAWKBMU-UHFFFAOYSA-N 0 0 448.494 4.774 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)s1 ZINC000032740903 556302094 /nfs/dbraw/zinc/30/20/94/556302094.db2.gz UFUIQHFZLJKUHL-INIZCTEOSA-N 0 0 427.595 4.535 50 0 IJAARN O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000032738177 556307567 /nfs/dbraw/zinc/30/75/67/556307567.db2.gz ZLJYCZXYDLTSKL-UHFFFAOYSA-N 0 0 428.469 4.555 50 0 IJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc(Cl)cc1 ZINC000013778756 556308224 /nfs/dbraw/zinc/30/82/24/556308224.db2.gz IHCWICSXMPBRIK-TUACAJSNSA-N 0 0 428.960 4.655 50 0 IJAARN Cc1ccc(Nc2nc3c(S(=O)(=O)c4cc(C)ccc4C)nnn3c3ccccc32)cc1 ZINC000009829916 556309990 /nfs/dbraw/zinc/30/99/90/556309990.db2.gz JWWDEZYLGXMGGZ-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2ccc(F)c(Br)c2)CC(=O)N1 ZINC000009860962 556314260 /nfs/dbraw/zinc/31/42/60/556314260.db2.gz KMZYDIIQKSOBIZ-KRWDZBQOSA-N 0 0 446.316 4.642 50 0 IJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(F)ccc1Br ZINC000032747987 556316606 /nfs/dbraw/zinc/31/66/06/556316606.db2.gz UPKBAYWHDZJRDT-SFHVURJKSA-N 0 0 425.729 4.809 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000013844430 556318483 /nfs/dbraw/zinc/31/84/83/556318483.db2.gz IIGNUEFKRVNXGI-VOIUYBSRSA-N 0 0 425.488 4.749 50 0 IJAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013847357 556319395 /nfs/dbraw/zinc/31/93/95/556319395.db2.gz QFAULVWRRCHHBE-GCJKJVERSA-N 0 0 432.520 4.982 50 0 IJAARN Cc1ccc(N(CCCC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000013847516 556319483 /nfs/dbraw/zinc/31/94/83/556319483.db2.gz VONDILHJIXUNNO-UHFFFAOYSA-N 0 0 438.549 4.972 50 0 IJAARN COc1ccc(-c2nc(CSc3nnc(COc4ccc(Cl)cc4)o3)no2)cc1 ZINC000032754523 556323673 /nfs/dbraw/zinc/32/36/73/556323673.db2.gz YWVSSIIENYLVPT-UHFFFAOYSA-N 0 0 430.873 4.653 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc3c(c2)OCO3)cc1F ZINC000032776533 556326825 /nfs/dbraw/zinc/32/68/25/556326825.db2.gz IWQHBAHAVLUCQT-UHFFFAOYSA-N 0 0 448.475 4.537 50 0 IJAARN O=C(CCCc1nc2ccccc2s1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032768989 556333507 /nfs/dbraw/zinc/33/35/07/556333507.db2.gz UUYYRPZQJUQPIZ-UHFFFAOYSA-N 0 0 448.514 4.772 50 0 IJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1=O ZINC000010461844 556335507 /nfs/dbraw/zinc/33/55/07/556335507.db2.gz NBZMALNDCZAVET-HNNXBMFYSA-N 0 0 448.350 4.833 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000032558746 556336952 /nfs/dbraw/zinc/33/69/52/556336952.db2.gz SYOOVLYWFLOVKY-OAQYLSRUSA-N 0 0 443.528 4.919 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000011662745 556344275 /nfs/dbraw/zinc/34/42/75/556344275.db2.gz GTWFKEQBUOLDEG-IBGZPJMESA-N 0 0 443.503 4.927 50 0 IJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000011663923 556344835 /nfs/dbraw/zinc/34/48/35/556344835.db2.gz ZZKQYZLNVNCBIQ-RUZDIDTESA-N 0 0 426.520 4.955 50 0 IJAARN COc1ccc(NC(=O)CS[C@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 ZINC000013957674 556345631 /nfs/dbraw/zinc/34/56/31/556345631.db2.gz WGYOOQRMBPAUBO-VWLOTQADSA-N 0 0 432.545 4.764 50 0 IJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1cc(C)nc2c1c(C)nn2C(C)C ZINC000013961359 556348990 /nfs/dbraw/zinc/34/89/90/556348990.db2.gz RIDAEVYTLJSHCS-UHFFFAOYSA-N 0 0 428.558 4.990 50 0 IJAARN O=C(Cc1cccc2ccccc21)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 ZINC000011841115 556365169 /nfs/dbraw/zinc/36/51/69/556365169.db2.gz LAMSHPFORVJUMX-FQEVSTJZSA-N 0 0 429.907 4.613 50 0 IJAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)no1 ZINC000011873303 556369490 /nfs/dbraw/zinc/36/94/90/556369490.db2.gz YYTVFYPLLONJAD-LJQANCHMSA-N 0 0 427.888 4.678 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1ccc(Cl)cc1 ZINC000014122770 556372601 /nfs/dbraw/zinc/37/26/01/556372601.db2.gz XLDIODCEPGSSQL-UHFFFAOYSA-N 0 0 431.923 4.864 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1ccc(C(F)(F)F)cc1 ZINC000011880440 556372600 /nfs/dbraw/zinc/37/26/00/556372600.db2.gz JYKURLXGCPSSQT-NRFANRHFSA-N 0 0 438.877 4.647 50 0 IJAARN COc1ccc(C[C@]2(CCC(=O)NC[C@@H](C)c3ccccc3)CCC(=O)N2)c2ccccc12 ZINC000011881100 556372960 /nfs/dbraw/zinc/37/29/60/556372960.db2.gz ZKOVVMMZQHXEBU-NGOKVRLYSA-N 0 0 444.575 4.740 50 0 IJAARN CCn1cc(-c2nnc(SCC(=O)Nc3cc(C)c(OC)cc3C)n2C)c2ccccc21 ZINC000014135756 556375232 /nfs/dbraw/zinc/37/52/32/556375232.db2.gz NULNPGDLGXCRSU-UHFFFAOYSA-N 0 0 449.580 4.813 50 0 IJAARN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000011911304 556375313 /nfs/dbraw/zinc/37/53/13/556375313.db2.gz CHBNYXAQPWYLTL-UHFFFAOYSA-N 0 0 435.955 4.688 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000014137450 556375473 /nfs/dbraw/zinc/37/54/73/556375473.db2.gz YCYCHCDJJJOFSJ-JTQLQIEISA-N 0 0 442.850 4.723 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1C ZINC000014139825 556376074 /nfs/dbraw/zinc/37/60/74/556376074.db2.gz YQKGSSQWROXFTB-UHFFFAOYSA-N 0 0 432.977 4.851 50 0 IJAARN COc1cccc(CN2C[C@H](C(=O)NC(C)(C)c3cccc4ccccc43)CCC2=O)c1 ZINC000011934566 556377651 /nfs/dbraw/zinc/37/76/51/556377651.db2.gz MRHNKRZCYHTYDQ-OAQYLSRUSA-N 0 0 430.548 4.639 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000014167182 556380092 /nfs/dbraw/zinc/38/00/92/556380092.db2.gz CYFFZMJNBVJEQV-UHFFFAOYSA-N 0 0 437.499 4.774 50 0 IJAARN O=S(=O)(c1ccc(N[C@@H](c2cccs2)c2ccc(F)cc2)nc1)N1CCCCC1 ZINC000014169818 556381346 /nfs/dbraw/zinc/38/13/46/556381346.db2.gz MAEOXCYQVQBBJJ-OAQYLSRUSA-N 0 0 431.558 4.658 50 0 IJAARN CCOc1ccccc1-c1nn(CN(Cc2cccs2)C[C@H]2CCCO2)c(=S)o1 ZINC000014197204 556388829 /nfs/dbraw/zinc/38/88/29/556388829.db2.gz AOUMLWREAXOMBL-MRXNPFEDSA-N 0 0 431.583 4.971 50 0 IJAARN Cc1ccc(-n2ncc3c2nc(SCc2csc(-c4ccccc4)n2)[nH]c3=O)cc1 ZINC000014199720 556390555 /nfs/dbraw/zinc/39/05/55/556390555.db2.gz PPVRWKOXXDOKJU-UHFFFAOYSA-N 0 0 431.546 4.833 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)[C@H](C)NC(=O)Cc3cccc4ccccc43)c2)cs1 ZINC000014200581 556391136 /nfs/dbraw/zinc/39/11/36/556391136.db2.gz USQYYFFMBVZCPD-INIZCTEOSA-N 0 0 429.545 4.958 50 0 IJAARN Cc1cc(C(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)c(C)n1CCc1cccs1 ZINC000014200725 556391416 /nfs/dbraw/zinc/39/14/16/556391416.db2.gz DEGNHJZZWYNIRX-UHFFFAOYSA-N 0 0 441.622 4.803 50 0 IJAARN CC(=O)Nc1ccc(SCC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc1 ZINC000032817113 556393197 /nfs/dbraw/zinc/39/31/97/556393197.db2.gz NKWNDPMCABBUPT-UHFFFAOYSA-N 0 0 429.542 4.871 50 0 IJAARN COc1nn(C)c2nc(C)c(CCC(=O)N(Cc3c(F)cccc3Cl)C3CC3)c(C)c12 ZINC000032818061 556393247 /nfs/dbraw/zinc/39/32/47/556393247.db2.gz FCXDVZLSEAFNSV-UHFFFAOYSA-N 0 0 444.938 4.510 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccc(C)cc1 ZINC000032818811 556393818 /nfs/dbraw/zinc/39/38/18/556393818.db2.gz RFHQWQIPTCYGGK-QFIPXVFZSA-N 0 0 441.491 4.783 50 0 IJAARN COc1cccc([C@@H]2CCCCN2C(=O)c2cn(Cc3cccc4ccccc43)nn2)c1 ZINC000012073981 556396871 /nfs/dbraw/zinc/39/68/71/556396871.db2.gz HZWVJYCOXNDEEY-VWLOTQADSA-N 0 0 426.520 4.856 50 0 IJAARN Cc1nc(-c2ccc(NC(=O)CSc3nnc(C)n3Cc3ccccc3)cc2)cs1 ZINC000014230547 556397338 /nfs/dbraw/zinc/39/73/38/556397338.db2.gz KMPRZBACOBNOQD-UHFFFAOYSA-N 0 0 435.578 4.798 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1OC ZINC000032578477 556405022 /nfs/dbraw/zinc/40/50/22/556405022.db2.gz DQBANZBZXHJMOF-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN COC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578479 556405129 /nfs/dbraw/zinc/40/51/29/556405129.db2.gz KMBLZCNVLWGRRQ-UHFFFAOYSA-N 0 0 443.459 4.516 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)n2)cc1 ZINC000032578640 556405558 /nfs/dbraw/zinc/40/55/58/556405558.db2.gz FTFGUYMNVZWZMY-UHFFFAOYSA-N 0 0 437.402 4.708 50 0 IJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Br)c2)c(-n2cnnc2)c1 ZINC000032646837 556412776 /nfs/dbraw/zinc/41/27/76/556412776.db2.gz KPQLKHNLGUTFDT-CQSZACIVSA-N 0 0 429.318 4.561 50 0 IJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000014357230 556413885 /nfs/dbraw/zinc/41/38/85/556413885.db2.gz CGNCHYBLBXSPNH-UHFFFAOYSA-N 0 0 447.597 4.821 50 0 IJAARN CSCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)o1 ZINC000012936439 556416236 /nfs/dbraw/zinc/41/62/36/556416236.db2.gz YBRKFEOAHKWPSF-GFCCVEGCSA-N 0 0 436.609 4.526 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn43)cn2)n1 ZINC000032833403 556417532 /nfs/dbraw/zinc/41/75/32/556417532.db2.gz NNZTTXMSNZAJJK-UHFFFAOYSA-N 0 0 432.484 4.652 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 ZINC000012958185 556418602 /nfs/dbraw/zinc/41/86/02/556418602.db2.gz BEOPYNRQFAZJMJ-RUZDIDTESA-N 0 0 432.741 4.917 50 0 IJAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000012973880 556419973 /nfs/dbraw/zinc/41/99/73/556419973.db2.gz NRKQHSTXTVRZCZ-LJQANCHMSA-N 0 0 438.549 4.936 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012975916 556421631 /nfs/dbraw/zinc/42/16/31/556421631.db2.gz RNRADLIYKSLMPR-INIZCTEOSA-N 0 0 441.549 4.781 50 0 IJAARN COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 ZINC000012979739 556423811 /nfs/dbraw/zinc/42/38/11/556423811.db2.gz DOXYSJAPUMUNKD-UHFFFAOYSA-N 0 0 437.565 4.763 50 0 IJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)cc1OC ZINC000012986957 556427300 /nfs/dbraw/zinc/42/73/00/556427300.db2.gz FUDGCIWIVGHRSV-AWEZNQCLSA-N 0 0 444.578 4.595 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012992994 556429189 /nfs/dbraw/zinc/42/91/89/556429189.db2.gz WXKYPTJUCKDAHU-OAHLLOKOSA-N 0 0 447.862 4.656 50 0 IJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000032845892 556429733 /nfs/dbraw/zinc/42/97/33/556429733.db2.gz OIUNSRCCBPRCML-AREMUKBSSA-N 0 0 437.499 4.898 50 0 IJAARN Cn1cc(C(=O)Nc2ccc(SC(F)F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012995740 556431097 /nfs/dbraw/zinc/43/10/97/556431097.db2.gz GMYVPKOOPMIMMH-UHFFFAOYSA-N 0 0 431.464 4.815 50 0 IJAARN Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000013000482 556432829 /nfs/dbraw/zinc/43/28/29/556432829.db2.gz KKOMAPGXZJYUOH-UHFFFAOYSA-N 0 0 449.498 4.784 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000013002127 556433867 /nfs/dbraw/zinc/43/38/67/556433867.db2.gz XIAZZFJIUJQGDK-SFHVURJKSA-N 0 0 432.520 4.738 50 0 IJAARN CCc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)s1 ZINC000011025577 556434631 /nfs/dbraw/zinc/43/46/31/556434631.db2.gz FMXSHAMPJDAKED-UHFFFAOYSA-N 0 0 427.016 4.917 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000013008981 556435417 /nfs/dbraw/zinc/43/54/17/556435417.db2.gz OZYXMOXYNYVHKD-LJQANCHMSA-N 0 0 442.635 4.880 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NCc3ccc(Cn4cccn4)cc3)c2oc1-c1ccccc1 ZINC000013011101 556435954 /nfs/dbraw/zinc/43/59/54/556435954.db2.gz OXEMZFZFVHBGCW-UHFFFAOYSA-N 0 0 449.510 4.943 50 0 IJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000014728806 556436031 /nfs/dbraw/zinc/43/60/31/556436031.db2.gz AALJTEAQKGFQDW-UHFFFAOYSA-N 0 0 433.512 4.674 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C1 ZINC000027945162 556435986 /nfs/dbraw/zinc/43/59/86/556435986.db2.gz HFAHGUJXOVZMEE-JXFKEZNVSA-N 0 0 431.989 4.520 50 0 IJAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013015577 556437340 /nfs/dbraw/zinc/43/73/40/556437340.db2.gz CIXOXWPJJIBSRW-MGNMYUMUSA-N 0 0 435.611 4.568 50 0 IJAARN O=C(OCc1c(F)cccc1Cl)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000013015856 556437670 /nfs/dbraw/zinc/43/76/70/556437670.db2.gz GSMQCKKRIHXZBH-UHFFFAOYSA-N 0 0 427.646 4.689 50 0 IJAARN CC1(C)Cc2cccc(OCC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)c2O1 ZINC000013027912 556441041 /nfs/dbraw/zinc/44/10/41/556441041.db2.gz IVSXUHDIWXUNLM-QGZVFWFLSA-N 0 0 438.549 4.601 50 0 IJAARN Cc1cccc(-n2c(COc3ccccc3)nnc2SCC(=O)NCc2ccccc2)c1 ZINC000028047351 556442492 /nfs/dbraw/zinc/44/24/92/556442492.db2.gz CPBKDTOIFGHBEN-UHFFFAOYSA-N 0 0 444.560 4.563 50 0 IJAARN COc1cccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccccc2)c1 ZINC000028047486 556442504 /nfs/dbraw/zinc/44/25/04/556442504.db2.gz JCYWXLDCVAFCRK-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccccc2nc1N1CCCC1 ZINC000014802332 556446930 /nfs/dbraw/zinc/44/69/30/556446930.db2.gz GYZRFICNIGKAAH-UHFFFAOYSA-N 0 0 431.471 4.595 50 0 IJAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000013040918 556446956 /nfs/dbraw/zinc/44/69/56/556446956.db2.gz RSUOIEBACRZDEH-QFIPXVFZSA-N 0 0 442.878 4.667 50 0 IJAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)Nc1ccc(SC(F)F)cc1 ZINC000014805366 556446999 /nfs/dbraw/zinc/44/69/99/556446999.db2.gz ATCWNXXLNXKHFB-UHFFFAOYSA-N 0 0 437.855 4.840 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000013041304 556447550 /nfs/dbraw/zinc/44/75/50/556447550.db2.gz AFFUYHSXFZOPLE-QHCPKHFHSA-N 0 0 444.503 4.630 50 0 IJAARN O=C(Cc1csc(-c2ccccn2)n1)OCc1csc(COc2ccc(F)cc2)n1 ZINC000014808496 556447577 /nfs/dbraw/zinc/44/75/77/556447577.db2.gz JRHUTXJVIQMNBD-UHFFFAOYSA-N 0 0 441.509 4.666 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl ZINC000013042192 556448215 /nfs/dbraw/zinc/44/82/15/556448215.db2.gz TUVVCTCENHKASZ-UHFFFAOYSA-N 0 0 438.742 4.865 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccccc2CSc2nc(C)cs2)nc1C ZINC000014865748 556451844 /nfs/dbraw/zinc/45/18/44/556451844.db2.gz JCJAIQLFROWYQN-UHFFFAOYSA-N 0 0 433.580 4.938 50 0 IJAARN COc1ccc(/C=C2\N=C(S[C@H](C)C(C)=O)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000013097089 556457622 /nfs/dbraw/zinc/45/76/22/556457622.db2.gz WCZCBHBWHQMEJF-AXLWCPOOSA-N 0 0 444.940 4.812 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000013098857 556459434 /nfs/dbraw/zinc/45/94/34/556459434.db2.gz YKXVDGLONVLHKC-RUZDIDTESA-N 0 0 432.545 4.963 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 ZINC000013108399 556461968 /nfs/dbraw/zinc/46/19/68/556461968.db2.gz DEENWGGAEBYSGW-UHFFFAOYSA-N 0 0 432.954 4.608 50 0 IJAARN CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000013112495 556464819 /nfs/dbraw/zinc/46/48/19/556464819.db2.gz UGBBBPKWAUUROJ-MRXNPFEDSA-N 0 0 433.961 4.566 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4CC=C(c5ccccc5)CC4)c(=O)c23)cc1 ZINC000013112515 556464933 /nfs/dbraw/zinc/46/49/33/556464933.db2.gz LLDUPYJINOQRJR-UHFFFAOYSA-N 0 0 441.556 4.749 50 0 IJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013112834 556465844 /nfs/dbraw/zinc/46/58/44/556465844.db2.gz VRIOEZZBFLFWKU-UHFFFAOYSA-N 0 0 429.477 4.604 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nc(C4CC4)n(-c4ccccc4)n3)c2C)no1 ZINC000013113086 556466184 /nfs/dbraw/zinc/46/61/84/556466184.db2.gz XNIFIRXMPGZXAG-UHFFFAOYSA-N 0 0 433.537 4.824 50 0 IJAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 ZINC000029060089 556466361 /nfs/dbraw/zinc/46/63/61/556466361.db2.gz YOBGZWYJKAGFFD-IQGLISFBSA-N 0 0 442.515 4.517 50 0 IJAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000029073031 556466631 /nfs/dbraw/zinc/46/66/31/556466631.db2.gz DJSZDGUTYUVLHR-MRXNPFEDSA-N 0 0 426.398 4.985 50 0 IJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cn1 ZINC000029072585 556466649 /nfs/dbraw/zinc/46/66/49/556466649.db2.gz YFWIAJMQFDNAHP-CRAIPNDOSA-N 0 0 442.972 4.897 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)n[nH]2)cc1 ZINC000013115036 556467614 /nfs/dbraw/zinc/46/76/14/556467614.db2.gz GZPUVERRVFFLJU-AWEZNQCLSA-N 0 0 437.594 4.956 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cc(C3CC3)nc3c1cnn3C(C)C)O[C@H](C)C2 ZINC000013115546 556467864 /nfs/dbraw/zinc/46/78/64/556467864.db2.gz GUBISCSUVRAHKN-OAHLLOKOSA-N 0 0 434.540 4.542 50 0 IJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013115816 556468217 /nfs/dbraw/zinc/46/82/17/556468217.db2.gz SAAWYOFODUPJDI-UHFFFAOYSA-N 0 0 438.575 4.659 50 0 IJAARN CCOc1cc2c(cc1CNC(=O)c1cc(C3CC3)nc3c1cnn3C(C)C)O[C@@H](C)C2 ZINC000013115548 556468317 /nfs/dbraw/zinc/46/83/17/556468317.db2.gz GUBISCSUVRAHKN-HNNXBMFYSA-N 0 0 434.540 4.542 50 0 IJAARN CCCn1c2ccc(Cl)cc2nc1SCc1nc(CNC(=O)c2ccccc2)no1 ZINC000029390270 556474350 /nfs/dbraw/zinc/47/43/50/556474350.db2.gz LFNRDNJTPKIPAM-UHFFFAOYSA-N 0 0 441.944 4.705 50 0 IJAARN COc1ccc(/C=C/CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000014992356 556475555 /nfs/dbraw/zinc/47/55/55/556475555.db2.gz MCNHJBJPPRFMLF-VOTSOKGWSA-N 0 0 428.989 4.915 50 0 IJAARN COc1ccc(-n2c(CCNC(=O)c3ccco3)nnc2SCC2CCCCC2)cc1 ZINC000014992617 556475741 /nfs/dbraw/zinc/47/57/41/556475741.db2.gz LQYXQYVIESFSRA-UHFFFAOYSA-N 0 0 440.569 4.514 50 0 IJAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc2sc3ccccc3c2s1 ZINC000029475369 556476222 /nfs/dbraw/zinc/47/62/22/556476222.db2.gz OEKAYEGGICNUPC-GFCCVEGCSA-N 0 0 430.576 4.597 50 0 IJAARN O=C(Cn1ccc2cc(Br)ccc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000070666186 556477529 /nfs/dbraw/zinc/47/75/29/556477529.db2.gz QGEBDCQRYTXUBX-UHFFFAOYSA-N 0 0 430.733 4.897 50 0 biogenic IJAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)n1C ZINC000013128222 556477543 /nfs/dbraw/zinc/47/75/43/556477543.db2.gz HYGPSVXNFGBFRH-LJQANCHMSA-N 0 0 442.541 4.582 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)N[C@H](c2cccs2)c2ccccc2)c(OC)c1 ZINC000013128717 556478135 /nfs/dbraw/zinc/47/81/35/556478135.db2.gz OBOLPEWJMJSTOW-BWKNWUBXSA-N 0 0 436.577 4.808 50 0 IJAARN C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CCN(Cc4cccc(F)c4)CC3)c2C1=O ZINC000015004453 556481200 /nfs/dbraw/zinc/48/12/00/556481200.db2.gz XOAIWKKCURUBNK-KRWDZBQOSA-N 0 0 449.551 4.567 50 0 IJAARN CCOC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)N(C)c3ccccc3)c2c1C ZINC000013134792 556482900 /nfs/dbraw/zinc/48/29/00/556482900.db2.gz BIGGDEYMFOTRGA-CYBMUJFWSA-N 0 0 429.567 4.628 50 0 IJAARN O=C(CSc1ncnc2sccc21)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000029868827 556484923 /nfs/dbraw/zinc/48/49/23/556484923.db2.gz DVGHZXDHMKCEOO-AWEZNQCLSA-N 0 0 426.548 4.816 50 0 IJAARN O=C(Nc1ccccc1-c1cccs1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000072289414 556485136 /nfs/dbraw/zinc/48/51/36/556485136.db2.gz BDDQYPOMDAQNQD-UHFFFAOYSA-N 0 0 436.581 4.567 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000013141685 556486940 /nfs/dbraw/zinc/48/69/40/556486940.db2.gz PMHKQBYCXMKQCU-UHFFFAOYSA-N 0 0 446.894 4.692 50 0 IJAARN Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000029956811 556487331 /nfs/dbraw/zinc/48/73/31/556487331.db2.gz GOJZNTNPDHXQNU-FQEVSTJZSA-N 0 0 428.414 4.635 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Cl ZINC000030135268 556490975 /nfs/dbraw/zinc/49/09/75/556490975.db2.gz TXIKNVXNOPNMSF-XLIONFOSSA-N 0 0 431.920 4.546 50 0 IJAARN OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000015063165 556490950 /nfs/dbraw/zinc/49/09/50/556490950.db2.gz KMHWTKOGRWQJEK-UHFFFAOYSA-N 0 0 425.532 4.885 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000013149985 556492065 /nfs/dbraw/zinc/49/20/65/556492065.db2.gz IBTZNESWBZFKHS-CQSZACIVSA-N 0 0 435.936 4.756 50 0 IJAARN CCOc1ncccc1CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000030307861 556492721 /nfs/dbraw/zinc/49/27/21/556492721.db2.gz HVLRBHCLJZNALO-VWLOTQADSA-N 0 0 431.561 4.907 50 0 IJAARN N=c1n(CC(=O)c2ccc(Br)s2)c2ccccc2n1Cc1ccccc1 ZINC000013154801 556493262 /nfs/dbraw/zinc/49/32/62/556493262.db2.gz HHZKBYQABQRWDJ-UHFFFAOYSA-N 0 0 426.339 4.677 50 0 IJAARN COc1cc(OC)c(C2=CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)c(OC)c1 ZINC000011063554 556493658 /nfs/dbraw/zinc/49/36/58/556493658.db2.gz HMISCWSTUPYLDE-CQSZACIVSA-N 0 0 427.526 4.674 50 0 IJAARN COc1cc(OC)c(C2=CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)c(OC)c1 ZINC000011061531 556493732 /nfs/dbraw/zinc/49/37/32/556493732.db2.gz PCCKOKSVWPIJBD-UHFFFAOYSA-N 0 0 435.520 4.725 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000013163614 556493989 /nfs/dbraw/zinc/49/39/89/556493989.db2.gz CQNOBVWJODXNGO-QHCPKHFHSA-N 0 0 433.577 4.503 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000013163574 556494085 /nfs/dbraw/zinc/49/40/85/556494085.db2.gz CYVMLMBANIHOJH-LBPRGKRZSA-N 0 0 445.342 4.556 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000030476792 556495173 /nfs/dbraw/zinc/49/51/73/556495173.db2.gz ZAJZLYVTUYDIBE-NRFANRHFSA-N 0 0 438.574 4.789 50 0 IJAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000013164794 556497335 /nfs/dbraw/zinc/49/73/35/556497335.db2.gz UAXWBTOIPHTZJC-SANMLTNESA-N 0 0 441.462 4.671 50 0 IJAARN Cc1nnc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)s1 ZINC000015077951 556499835 /nfs/dbraw/zinc/49/98/35/556499835.db2.gz UIIHVQAYLMUXNZ-GOSISDBHSA-N 0 0 441.626 4.616 50 0 IJAARN COc1ccc2cc(CNC(=O)c3ccc(OCc4cscn4)c(OC)c3)ccc2c1 ZINC000030621052 556500145 /nfs/dbraw/zinc/50/01/45/556500145.db2.gz MBSWALXIKRQHBZ-UHFFFAOYSA-N 0 0 434.517 4.823 50 0 IJAARN N#CSc1ccc(NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000001501572 556501346 /nfs/dbraw/zinc/50/13/46/556501346.db2.gz WVACSEKJKLGRAZ-UHFFFAOYSA-N 0 0 444.343 4.946 50 0 IJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@H]4c3cccs3)sc2c1 ZINC000015084875 556501953 /nfs/dbraw/zinc/50/19/53/556501953.db2.gz MGPXZTOQSWMBEJ-KRWDZBQOSA-N 0 0 428.564 4.635 50 0 IJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000015106649 556503854 /nfs/dbraw/zinc/50/38/54/556503854.db2.gz NQUVWCWKRODJCE-MRXNPFEDSA-N 0 0 438.505 4.506 50 0 IJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000015106672 556504133 /nfs/dbraw/zinc/50/41/33/556504133.db2.gz LNNCCDBSZUELRX-MRXNPFEDSA-N 0 0 438.505 4.506 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Oc2ccc(NC(C)=O)cc2)c1 ZINC000032717010 556507922 /nfs/dbraw/zinc/50/79/22/556507922.db2.gz AURGPZKPEBVHIT-UHFFFAOYSA-N 0 0 441.487 4.785 50 0 IJAARN CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000015305878 556517801 /nfs/dbraw/zinc/51/78/01/556517801.db2.gz QGVKMBBVPZFEJO-UHFFFAOYSA-N 0 0 432.611 4.545 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000011074687 556519151 /nfs/dbraw/zinc/51/91/51/556519151.db2.gz OOLPPKVPYFSIPR-HXUWFJFHSA-N 0 0 447.966 4.989 50 0 IJAARN CCOc1cc(-c2nn3c(nnc3-c3ccc(OC)cc3)s2)cc(OCC)c1OCC ZINC000013566790 556520312 /nfs/dbraw/zinc/52/03/12/556520312.db2.gz ZGHIMBRHXZOUTQ-UHFFFAOYSA-N 0 0 440.525 4.725 50 0 IJAARN CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(OC)c(F)c2)[C@H]1c1ccc(OC)cc1 ZINC000032719123 556521799 /nfs/dbraw/zinc/52/17/99/556521799.db2.gz ZPFVEQPVEBPTBC-GBXCKJPGSA-N 0 0 443.515 4.666 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015356683 556522932 /nfs/dbraw/zinc/52/29/32/556522932.db2.gz XKCDUTIYSPZVMT-UHFFFAOYSA-N 0 0 432.307 4.922 50 0 IJAARN CCCN1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000013575054 556525021 /nfs/dbraw/zinc/52/50/21/556525021.db2.gz ILZUWWYSGOCQAV-UHFFFAOYSA-N 0 0 436.566 4.541 50 0 IJAARN Clc1ccccc1CN1CCO[C@H](CSc2nnc(C3CC3)n2-c2ccccc2)C1 ZINC000015480327 556530111 /nfs/dbraw/zinc/53/01/11/556530111.db2.gz MTBRUCQKWZARNV-FQEVSTJZSA-N 0 0 441.000 4.791 50 0 IJAARN Cc1cccc(COc2ccc([C@H]3CC(=O)Nc4nc(-c5ccccc5)[nH]c(=O)c43)cc2)c1 ZINC000013593554 556531271 /nfs/dbraw/zinc/53/12/71/556531271.db2.gz VFWFFQGMAOFAGU-JOCHJYFZSA-N 0 0 437.499 4.798 50 0 IJAARN COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 ZINC000013618342 556535883 /nfs/dbraw/zinc/53/58/83/556535883.db2.gz YCBYAYMXBCVASM-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN CS(=O)(=O)Cc1ccc(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000015594630 556536564 /nfs/dbraw/zinc/53/65/64/556536564.db2.gz XZRXLHBUKHBMFA-UHFFFAOYSA-N 0 0 445.334 4.880 50 0 IJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cscn2)c(Br)c1 ZINC000015659662 556541537 /nfs/dbraw/zinc/54/15/37/556541537.db2.gz LBKSJFPSXZLZHD-UHFFFAOYSA-N 0 0 427.327 4.869 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000032904438 556543921 /nfs/dbraw/zinc/54/39/21/556543921.db2.gz BCPNVHSLESZLQC-UHFFFAOYSA-N 0 0 435.487 4.578 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000032904434 556543932 /nfs/dbraw/zinc/54/39/32/556543932.db2.gz MIVANYVWEKUMIJ-UXHICEINSA-N 0 0 431.565 4.526 50 0 IJAARN Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)NCCCSC1CCCCC1 ZINC000004436881 556546721 /nfs/dbraw/zinc/54/67/21/556546721.db2.gz GXZOPNFPXQZSTG-PMERELPUSA-N 0 0 448.654 4.779 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 ZINC000032997188 556551072 /nfs/dbraw/zinc/55/10/72/556551072.db2.gz YPZRUCJMCZCBNO-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccccc1F ZINC000032998128 556552253 /nfs/dbraw/zinc/55/22/53/556552253.db2.gz VOKMVSBQVLTGLG-IBGZPJMESA-N 0 0 430.892 4.887 50 0 IJAARN CCc1ccc([C@@H]2Oc3nc(SC)nnc3-c3cc(Cl)ccc3N2C(C)=O)cc1 ZINC000032998211 556552302 /nfs/dbraw/zinc/55/23/02/556552302.db2.gz BGRWAUSBHMIDLZ-FQEVSTJZSA-N 0 0 426.929 4.920 50 0 IJAARN Cc1nc(C)c(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)s1 ZINC000032905941 556557043 /nfs/dbraw/zinc/55/70/43/556557043.db2.gz YFVQLXXPCJUFEM-GFCCVEGCSA-N 0 0 428.583 4.658 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)no2)cc1 ZINC000015859638 556558211 /nfs/dbraw/zinc/55/82/11/556558211.db2.gz BSLHNUGFWVGVJL-DEOSSOPVSA-N 0 0 447.579 4.751 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)c1 ZINC000015869218 556559900 /nfs/dbraw/zinc/55/99/00/556559900.db2.gz QDZCJGFOHWQPKR-UHFFFAOYSA-N 0 0 447.495 4.549 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc1F ZINC000015869183 556560004 /nfs/dbraw/zinc/56/00/04/556560004.db2.gz LTZBNIIKCDDOGB-UHFFFAOYSA-N 0 0 437.475 4.794 50 0 IJAARN CN(c1ccc(OCCOc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1F ZINC000015910592 556562842 /nfs/dbraw/zinc/56/28/42/556562842.db2.gz BUOIPNZXBKPQNG-UHFFFAOYSA-N 0 0 435.904 4.762 50 0 IJAARN COc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc2c1CCCC2 ZINC000015946869 556567772 /nfs/dbraw/zinc/56/77/72/556567772.db2.gz SOLLNVQBBNJMBF-MRXNPFEDSA-N 0 0 441.597 4.701 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000015981452 556570895 /nfs/dbraw/zinc/57/08/95/556570895.db2.gz QOFRJFYRVAOCNS-WHSLLNHNSA-N 0 0 427.928 4.669 50 0 IJAARN O=C(CNC(=O)CSC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000016003117 556573056 /nfs/dbraw/zinc/57/30/56/556573056.db2.gz XPSFDVJMWOBCSR-UHFFFAOYSA-N 0 0 444.478 4.681 50 0 IJAARN CCOc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000001194357 556574386 /nfs/dbraw/zinc/57/43/86/556574386.db2.gz UWMTVVWRRPAAHY-UHFFFAOYSA-N 0 0 444.940 4.573 50 0 IJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1Cl ZINC000072309868 556577579 /nfs/dbraw/zinc/57/75/79/556577579.db2.gz UNBJLCGNFYZGSO-UGKGYDQZSA-N 0 0 443.975 4.846 50 0 IJAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2nc(C3CC3)nc(C)c12 ZINC000032909936 556578063 /nfs/dbraw/zinc/57/80/63/556578063.db2.gz DOARLUQQDUTZLO-QGZVFWFLSA-N 0 0 435.549 4.934 50 0 IJAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002918660 556578559 /nfs/dbraw/zinc/57/85/59/556578559.db2.gz MWBKIAAMZRACDW-UHFFFAOYSA-N 0 0 446.145 4.510 50 0 IJAARN c1csc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)o2)c1 ZINC000016045221 556579241 /nfs/dbraw/zinc/57/92/41/556579241.db2.gz AACUSBBPTLOXOB-GFCCVEGCSA-N 0 0 431.568 4.589 50 0 IJAARN O=C(COC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(Cl)s1 ZINC000016047123 556580649 /nfs/dbraw/zinc/58/06/49/556580649.db2.gz OYVSKPSTDVOVJH-UHFFFAOYSA-N 0 0 441.936 4.833 50 0 IJAARN COc1ccc(CC[C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000060137697 556581928 /nfs/dbraw/zinc/58/19/28/556581928.db2.gz IQQCLWLCFCXJRS-CJFMBICVSA-N 0 0 430.548 4.694 50 0 IJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034812931 556582900 /nfs/dbraw/zinc/58/29/00/556582900.db2.gz JIVFYCZEUPFRPF-QGZVFWFLSA-N 0 0 445.494 4.865 50 0 IJAARN CCC[C@]1(O)C[C@H](c2cc(OC)ccc2OC)N[C@@H](c2cc(OC)ccc2OC)[C@H]1C ZINC000245295484 556583397 /nfs/dbraw/zinc/58/33/97/556583397.db2.gz GIMAZQRNBHQQHN-WRWYXFPXSA-N 0 0 429.557 4.664 50 0 IJAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000032964077 556586583 /nfs/dbraw/zinc/58/65/83/556586583.db2.gz WKDASOROLNAAOL-KRWDZBQOSA-N 0 0 433.552 4.792 50 0 IJAARN CCc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000016162482 556586781 /nfs/dbraw/zinc/58/67/81/556586781.db2.gz ABBTVDHSZQUORP-UHFFFAOYSA-N 0 0 426.513 4.531 50 0 IJAARN CCN(CC)C(=O)N1CCC(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000032913104 556587201 /nfs/dbraw/zinc/58/72/01/556587201.db2.gz WTYKQPNOFYWPQI-LSCLNCKRSA-N 0 0 445.607 4.574 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC ZINC000016226427 556592683 /nfs/dbraw/zinc/59/26/83/556592683.db2.gz UVTBIMARSZGKAX-UHFFFAOYSA-N 0 0 441.325 4.767 50 0 IJAARN CCOC(=O)C1=C(COc2cccc(Cl)c2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000036083669 556592757 /nfs/dbraw/zinc/59/27/57/556592757.db2.gz KUDVYEXBESBWDD-FQEVSTJZSA-N 0 0 449.334 4.976 50 0 IJAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000016264923 556595358 /nfs/dbraw/zinc/59/53/58/556595358.db2.gz HMSQVPOVPCCQCB-SXGWCWSVSA-N 0 0 434.311 4.708 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(Cl)cc1 ZINC000016263168 556595365 /nfs/dbraw/zinc/59/53/65/556595365.db2.gz RXHSOPGDGBOWFI-FQEVSTJZSA-N 0 0 438.940 4.628 50 0 IJAARN COc1cc(OC)c(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1Cl ZINC000032975167 556598412 /nfs/dbraw/zinc/59/84/12/556598412.db2.gz ZFLFCOBJDJKRNQ-UHFFFAOYSA-N 0 0 442.903 4.819 50 0 IJAARN CCc1nn(-c2ccccc2)c2c1CN(C(=O)NC)[C@@H](c1cccc(F)c1)c1cccn1-2 ZINC000032977716 556600642 /nfs/dbraw/zinc/60/06/42/556600642.db2.gz QXJQYJYZDFBZES-QHCPKHFHSA-N 0 0 429.499 4.609 50 0 IJAARN COC(=O)c1c2c(sc1NC(=S)Nc1ccc3c(c1)OCCO3)CCCCCC2 ZINC000016346436 556601382 /nfs/dbraw/zinc/60/13/82/556601382.db2.gz FPHAAVBURBLOBH-UHFFFAOYSA-N 0 0 432.567 4.774 50 0 IJAARN CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983641 556603679 /nfs/dbraw/zinc/60/36/79/556603679.db2.gz QNOBQHYPSYBVOR-DEDYPNTBSA-N 0 0 430.957 4.975 50 0 IJAARN COc1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1OC(F)F ZINC000016386313 556604499 /nfs/dbraw/zinc/60/44/99/556604499.db2.gz VLTCBHZWJOKTIZ-XYOKQWHBSA-N 0 0 438.352 4.970 50 0 IJAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000032988088 556608756 /nfs/dbraw/zinc/60/87/56/556608756.db2.gz ARPFCQZNGCQGAP-UHFFFAOYSA-N 0 0 433.577 4.828 50 0 IJAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3cc(=O)n4ccsc4n3)cc2o1 ZINC000016461566 556609721 /nfs/dbraw/zinc/60/97/21/556609721.db2.gz JLIQMWRAOKBTTD-UHFFFAOYSA-N 0 0 436.876 4.762 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 ZINC000016474336 556609896 /nfs/dbraw/zinc/60/98/96/556609896.db2.gz MCLLTHVUULDDRV-QFIPXVFZSA-N 0 0 437.540 4.606 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000032995367 556610731 /nfs/dbraw/zinc/61/07/31/556610731.db2.gz BAANACSUTCFPEH-SFHVURJKSA-N 0 0 436.581 4.559 50 0 IJAARN COc1ccccc1-n1c(SCc2csc(NC(C)=O)n2)nnc1-c1cccs1 ZINC000016678093 556622907 /nfs/dbraw/zinc/62/29/07/556622907.db2.gz AGBQYRFTPIOBQP-UHFFFAOYSA-N 0 0 443.579 4.712 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(Br)cc1 ZINC000033714707 556626144 /nfs/dbraw/zinc/62/61/44/556626144.db2.gz KPXRWFSESFYIJL-UHFFFAOYSA-N 0 0 440.293 4.824 50 0 IJAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccccc5Cl)o4)c(=O)n3n2)cc1 ZINC000016700039 556629826 /nfs/dbraw/zinc/62/98/26/556629826.db2.gz PGICWMAQYOLGFS-DEDYPNTBSA-N 0 0 449.919 4.678 50 0 IJAARN CCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3n2)cc1 ZINC000016729668 556631308 /nfs/dbraw/zinc/63/13/08/556631308.db2.gz IYNOONXYXMIJRZ-MOSHPQCFSA-N 0 0 449.919 4.678 50 0 IJAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)NCc1cccs1 ZINC000033778276 556632841 /nfs/dbraw/zinc/63/28/41/556632841.db2.gz LPSNRLUAJWDSNZ-OAQYLSRUSA-N 0 0 446.576 4.685 50 0 IJAARN Cc1ccc(/C=C2/N=C(c3cccc(C4=N/C(=C/c5ccc(C)cc5)C(=O)O4)c3)OC2=O)cc1 ZINC000033770469 556633388 /nfs/dbraw/zinc/63/33/88/556633388.db2.gz LLTMYFQYXLMCCW-OZEVPFDHSA-N 0 0 448.478 4.992 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)[nH]1)[C@@](CC)(C1CCCCC1)Cc1ccccc1-2 ZINC000005093104 556633718 /nfs/dbraw/zinc/63/37/18/556633718.db2.gz GWJQEGOXVQKVGA-XMMPIXPASA-N 0 0 426.582 4.876 50 0 IJAARN COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000016741497 556635467 /nfs/dbraw/zinc/63/54/67/556635467.db2.gz MYWOCFOWVDBXGK-HXUWFJFHSA-N 0 0 448.500 4.639 50 0 IJAARN COc1ccc(CNc2oc(Cc3ccc(Cl)cc3)nc2P(=O)(OC)OC)cc1 ZINC000016752750 556638189 /nfs/dbraw/zinc/63/81/89/556638189.db2.gz HPRXGMTUCBZANI-UHFFFAOYSA-N 0 0 436.832 4.651 50 0 IJAARN Cc1ccc(Cn2c(C(=O)NC[C@@H]3CCCO3)cc3sc(Br)cc32)cc1 ZINC000037543185 556639539 /nfs/dbraw/zinc/63/95/39/556639539.db2.gz SYQNJXCEEZYISK-HNNXBMFYSA-N 0 0 433.371 4.731 50 0 IJAARN CCc1cccc(NC(=O)Cn2c3ccccc3n3c2nc(-c2ccc(C)cc2)cc3=O)c1 ZINC000040484451 556643788 /nfs/dbraw/zinc/64/37/88/556643788.db2.gz XBMSDGZSXKATEP-UHFFFAOYSA-N 0 0 436.515 4.826 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C)cc2)s1 ZINC000016806273 556643984 /nfs/dbraw/zinc/64/39/84/556643984.db2.gz CYFPYQMSXAEELW-LJQANCHMSA-N 0 0 435.480 4.794 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)s1 ZINC000016806271 556643992 /nfs/dbraw/zinc/64/39/92/556643992.db2.gz CYFPYQMSXAEELW-IBGZPJMESA-N 0 0 435.480 4.794 50 0 IJAARN COc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3Cl)n2)cc1 ZINC000032922335 556645008 /nfs/dbraw/zinc/64/50/08/556645008.db2.gz HUJVCTCZVJQSOO-GOSISDBHSA-N 0 0 429.929 4.678 50 0 IJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(OC)ccc4OC)nccn3n2)cc1 ZINC000016841636 556646122 /nfs/dbraw/zinc/64/61/22/556646122.db2.gz YSRJAFKWXNRNMB-UHFFFAOYSA-N 0 0 448.548 4.707 50 0 IJAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(OC)c2)c1 ZINC000037600725 556646196 /nfs/dbraw/zinc/64/61/96/556646196.db2.gz LIWKYRFCLSGECT-UHFFFAOYSA-N 0 0 434.511 4.750 50 0 IJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)cc4OC)nccn3n2)cc1 ZINC000016841638 556646151 /nfs/dbraw/zinc/64/61/51/556646151.db2.gz MDSRYKCIBXZBFS-UHFFFAOYSA-N 0 0 448.548 4.707 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 ZINC000016842060 556646363 /nfs/dbraw/zinc/64/63/63/556646363.db2.gz QLJDHTKQIQHQJN-UHFFFAOYSA-N 0 0 434.521 4.534 50 0 IJAARN CCOc1ccc(CN(C)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1OC ZINC000032923131 556647946 /nfs/dbraw/zinc/64/79/46/556647946.db2.gz NTMJGYHYABNELL-UHFFFAOYSA-N 0 0 429.520 4.560 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000016890814 556648226 /nfs/dbraw/zinc/64/82/26/556648226.db2.gz FBCAZPYKRVTKSV-UHFFFAOYSA-N 0 0 436.924 4.983 50 0 IJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Br)c1 ZINC000016899405 556648418 /nfs/dbraw/zinc/64/84/18/556648418.db2.gz SSUHPZBNOJYPHQ-CQSZACIVSA-N 0 0 445.260 4.910 50 0 IJAARN O=c1sc2ccccc2n1Cc1nnc(SC2CCCC2)n1CCc1ccccc1 ZINC000011758356 556652677 /nfs/dbraw/zinc/65/26/77/556652677.db2.gz RTWXMKFCCWKYFF-UHFFFAOYSA-N 0 0 436.606 4.980 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(OC)cc2)cc1 ZINC000011758396 556652777 /nfs/dbraw/zinc/65/27/77/556652777.db2.gz FWEZJQVSQPTEKP-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)csc2n1 ZINC000011768266 556654157 /nfs/dbraw/zinc/65/41/57/556654157.db2.gz FWVWIBZZNBPWFW-UHFFFAOYSA-N 0 0 441.512 4.902 50 0 IJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000011767126 556654751 /nfs/dbraw/zinc/65/47/51/556654751.db2.gz LVSBQPNRSDFMBX-UHFFFAOYSA-N 0 0 447.589 4.781 50 0 IJAARN CCCSCCCNC(=O)c1ccc(Cn2c3cc(C)c(C)cc3nc(C)c2=O)cc1 ZINC000033006119 556655265 /nfs/dbraw/zinc/65/52/65/556655265.db2.gz IMOBLJNVSPXOOS-UHFFFAOYSA-N 0 0 437.609 4.633 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1C ZINC000033011845 556660057 /nfs/dbraw/zinc/66/00/57/556660057.db2.gz HSXVZKBXVYNVPI-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)c1 ZINC000033011863 556660081 /nfs/dbraw/zinc/66/00/81/556660081.db2.gz DQRUENMTYVXICN-UHFFFAOYSA-N 0 0 432.958 4.791 50 0 IJAARN CCN(C(=O)COc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1)c1ccccc1 ZINC000033012410 556661586 /nfs/dbraw/zinc/66/15/86/556661586.db2.gz VCCYCZBDHUBKGW-UHFFFAOYSA-N 0 0 429.476 4.844 50 0 IJAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000017097878 556662566 /nfs/dbraw/zinc/66/25/66/556662566.db2.gz WSPPJNKKFXQGPV-UHFFFAOYSA-N 0 0 432.398 4.879 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000033013213 556662614 /nfs/dbraw/zinc/66/26/14/556662614.db2.gz XHPYBLVACKEZEU-UHFFFAOYSA-N 0 0 433.439 4.959 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@@H]3c3cccs3)c(=O)c12 ZINC000017130664 556669181 /nfs/dbraw/zinc/66/91/81/556669181.db2.gz PISFBPAFKAFEED-QGZVFWFLSA-N 0 0 435.574 4.859 50 0 IJAARN O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 ZINC000017150009 556670143 /nfs/dbraw/zinc/67/01/43/556670143.db2.gz CEKUGLXLFVMAOJ-UHFFFAOYSA-N 0 0 439.903 4.625 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011907149 556671820 /nfs/dbraw/zinc/67/18/20/556671820.db2.gz UNJCHZRBDUKGIS-UHFFFAOYSA-N 0 0 447.988 4.513 50 0 IJAARN CCCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1 ZINC000011914167 556673611 /nfs/dbraw/zinc/67/36/11/556673611.db2.gz IGGKTFZRHIMZDO-UHFFFAOYSA-N 0 0 446.301 4.696 50 0 IJAARN O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1cc(-c2ccccc2)on1 ZINC000011916701 556673838 /nfs/dbraw/zinc/67/38/38/556673838.db2.gz QQKBBGDVEQJDQJ-UHFFFAOYSA-N 0 0 433.489 4.667 50 0 IJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1OCCC ZINC000011915530 556674372 /nfs/dbraw/zinc/67/43/72/556674372.db2.gz SVNODTYXLNKQOL-UHFFFAOYSA-N 0 0 445.903 4.985 50 0 IJAARN CCOC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000017306690 556674990 /nfs/dbraw/zinc/67/49/90/556674990.db2.gz LMRFRUVJSRXXKN-UHFFFAOYSA-N 0 0 446.532 4.612 50 0 IJAARN CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1 ZINC000011916882 556675055 /nfs/dbraw/zinc/67/50/55/556675055.db2.gz VWYOFIBEDWSTNQ-UHFFFAOYSA-N 0 0 425.441 4.828 50 0 IJAARN CCN(Cc1ccc2c(c1)OCCO2)Cn1nc(Nc2ccccc2F)sc1=S ZINC000032932591 556675902 /nfs/dbraw/zinc/67/59/02/556675902.db2.gz IGWCPIBLXRQVHB-UHFFFAOYSA-N 0 0 432.546 4.808 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000011965610 556677486 /nfs/dbraw/zinc/67/74/86/556677486.db2.gz AGMLSSYOAIBYGC-UHFFFAOYSA-N 0 0 432.343 4.920 50 0 IJAARN COc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000032936389 556678731 /nfs/dbraw/zinc/67/87/31/556678731.db2.gz LHNYZRTWNQDVSB-XMMPIXPASA-N 0 0 426.451 4.769 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999206 556679805 /nfs/dbraw/zinc/67/98/05/556679805.db2.gz HNQYFBODBIVUTH-UHFFFAOYSA-N 0 0 432.851 4.541 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 ZINC000017987770 556680990 /nfs/dbraw/zinc/68/09/90/556680990.db2.gz XXQCUJZVTCHZED-MORSLUCNSA-N 0 0 426.900 4.527 50 0 IJAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)[C@@H]2C1 ZINC000018247199 556688262 /nfs/dbraw/zinc/68/82/62/556688262.db2.gz DNCFJPFQNZRNOK-QANKJYHBSA-N 0 0 442.309 4.594 50 0 IJAARN CCOC(=O)c1c(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000585655874 556688460 /nfs/dbraw/zinc/68/84/60/556688460.db2.gz YJEPYGBKNBQERC-NRFANRHFSA-N 0 0 448.544 4.523 50 0 IJAARN CC(=O)c1cccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 ZINC000046009367 556690995 /nfs/dbraw/zinc/69/09/95/556690995.db2.gz IDSRZNCUVJDRHZ-UHFFFAOYSA-N 0 0 430.464 4.516 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)CCCc1ccco1 ZINC000046141298 556692775 /nfs/dbraw/zinc/69/27/75/556692775.db2.gz GDADJRYDBKVSSZ-UHFFFAOYSA-N 0 0 443.550 4.620 50 0 IJAARN O=C(Nc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)C2CC2)cc1Cl)c1ccco1 ZINC000072313610 556693874 /nfs/dbraw/zinc/69/38/74/556693874.db2.gz XHQNDARVAINQLY-FQEVSTJZSA-N 0 0 439.899 4.915 50 0 IJAARN COc1cc2c(c3oc(=O)c(CCC(=O)Nc4nc(C)cs4)c(C)c13)CCC(C)(C)O2 ZINC000013569111 556698440 /nfs/dbraw/zinc/69/84/40/556698440.db2.gz VJKSBPXTLGZOSI-UHFFFAOYSA-N 0 0 442.537 4.550 50 0 biogenic IJAARN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000137948974 556699437 /nfs/dbraw/zinc/69/94/37/556699437.db2.gz OPQARVUTIOVVNJ-ISJGIBHGSA-N 0 0 442.515 4.753 50 0 IJAARN O=C(NCCc1nc2cccnc2n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000033025437 556700756 /nfs/dbraw/zinc/70/07/56/556700756.db2.gz GMTAGPRPXMQJGE-UHFFFAOYSA-N 0 0 439.441 4.863 50 0 IJAARN O=c1nc(N2CCN(c3ccccc3F)CC2)[nH]c2c(-c3cccc(Cl)c3)csc21 ZINC000048988975 556702744 /nfs/dbraw/zinc/70/27/44/556702744.db2.gz OPFOGVNYLABMQO-UHFFFAOYSA-N 0 0 440.931 4.771 50 0 IJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)Cc1ccccc1C ZINC000033036403 556718348 /nfs/dbraw/zinc/71/83/48/556718348.db2.gz LEYCQDYBIBUZFZ-UHFFFAOYSA-N 0 0 431.359 4.701 50 0 IJAARN CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1c(F)cccc1Cl ZINC000052606446 556719681 /nfs/dbraw/zinc/71/96/81/556719681.db2.gz PQLHYLRFERTWJP-XOBRGWDASA-N 0 0 446.979 4.615 50 0 IJAARN COc1ccccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000033038144 556723958 /nfs/dbraw/zinc/72/39/58/556723958.db2.gz MFFDFZNTVFDCBK-UHFFFAOYSA-N 0 0 428.492 4.729 50 0 IJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000061718946 556725834 /nfs/dbraw/zinc/72/58/34/556725834.db2.gz USWWYRIHEGIMCT-UHFFFAOYSA-N 0 0 425.539 4.837 50 0 IJAARN CC(C)(C)OC(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000072328620 556726086 /nfs/dbraw/zinc/72/60/86/556726086.db2.gz OREKYWCKMPBZPU-UHFFFAOYSA-N 0 0 441.890 4.534 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(Br)c3)[nH]n2)cc1 ZINC000072331562 556730707 /nfs/dbraw/zinc/73/07/07/556730707.db2.gz BKTQQDHJHGKDRQ-UHFFFAOYSA-N 0 0 428.330 4.948 50 0 IJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(Br)cc2)[nH]n1 ZINC000072331595 556730979 /nfs/dbraw/zinc/73/09/79/556730979.db2.gz NHANSYDDWJFVIV-UHFFFAOYSA-N 0 0 428.330 4.948 50 0 IJAARN Cc1ccc(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)c(C)c1 ZINC000055035777 556732295 /nfs/dbraw/zinc/73/22/95/556732295.db2.gz MAXSEMBGKUIOBK-UHFFFAOYSA-N 0 0 431.005 4.644 50 0 IJAARN CCCCn1c2ccccc2n(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)c(=O)c1=O ZINC000055104347 556734886 /nfs/dbraw/zinc/73/48/86/556734886.db2.gz QHALMTLEXDOXOD-UHFFFAOYSA-N 0 0 449.620 4.936 50 0 IJAARN COc1ccc(C(=O)N2CCN(Cc3nc(-c4cccc5ccccc54)oc3C)CC2)cc1 ZINC000055152940 556735974 /nfs/dbraw/zinc/73/59/74/556735974.db2.gz SEAKRHALLONYGJ-UHFFFAOYSA-N 0 0 441.531 4.770 50 0 IJAARN Cc1c(C(=O)NCc2ncoc2-c2ccccc2)cnn1-c1ccc(Br)cc1 ZINC000079056266 556738057 /nfs/dbraw/zinc/73/80/57/556738057.db2.gz ADLDRJVGSHOIMO-UHFFFAOYSA-N 0 0 437.297 4.528 50 0 IJAARN CCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000055360851 556740859 /nfs/dbraw/zinc/74/08/59/556740859.db2.gz LIWRKWAGODORBQ-QFIPXVFZSA-N 0 0 431.540 4.610 50 0 IJAARN COc1ccc(-c2ncc(CN3CCC[C@@H](C(=O)c4ccccc4SC)C3)cn2)cc1 ZINC000055575716 556742762 /nfs/dbraw/zinc/74/27/62/556742762.db2.gz UMKHZTAEXBNGLV-HXUWFJFHSA-N 0 0 433.577 4.969 50 0 IJAARN CCOC(=O)CCN(Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)C1CC1 ZINC000057985598 556750426 /nfs/dbraw/zinc/75/04/26/556750426.db2.gz HCCVETFEKYXBIM-UHFFFAOYSA-N 0 0 442.610 4.566 50 0 IJAARN O=c1[nH]c(SCc2nc(-c3cccc(Cl)c3)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000072332559 556750653 /nfs/dbraw/zinc/75/06/53/556750653.db2.gz JAXUJYUTSFKERW-UHFFFAOYSA-N 0 0 435.896 4.914 50 0 IJAARN CCOCc1ccc(CNC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1 ZINC000058014379 556753699 /nfs/dbraw/zinc/75/36/99/556753699.db2.gz NVRWMLPWYFLBMP-UHFFFAOYSA-N 0 0 433.533 4.982 50 0 IJAARN COC(=O)C[C@@H]1CCCCN1Cn1nc(Cc2cccs2)n(C2CCCCC2)c1=S ZINC000058080327 556756793 /nfs/dbraw/zinc/75/67/93/556756793.db2.gz MBNIARBANAJPAZ-SFHVURJKSA-N 0 0 448.658 4.947 50 0 IJAARN O=C1C(Cl)=C(Nc2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786221 556757678 /nfs/dbraw/zinc/75/76/78/556757678.db2.gz NTSDDORHKPKYEE-UHFFFAOYSA-N 0 0 426.097 4.534 50 0 IJAARN C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1 ZINC000058123634 556759391 /nfs/dbraw/zinc/75/93/91/556759391.db2.gz NRENEBHZGDGMTM-LBPRGKRZSA-N 0 0 428.747 4.502 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000001093346 556764096 /nfs/dbraw/zinc/76/40/96/556764096.db2.gz XDXZSZKZNCIDLY-UHFFFAOYSA-N 0 0 440.540 4.941 50 0 IJAARN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058173673 556768809 /nfs/dbraw/zinc/76/88/09/556768809.db2.gz RSQYMIUMQUXKCG-KRWDZBQOSA-N 0 0 444.560 4.533 50 0 IJAARN COc1cccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000001288280 556770157 /nfs/dbraw/zinc/77/01/57/556770157.db2.gz CFYRBXWELCSVPY-LZGFCCKTSA-N 0 0 427.806 4.951 50 0 IJAARN CC(=O)Nc1cccc2c1CCCN2[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000058218995 556773170 /nfs/dbraw/zinc/77/31/70/556773170.db2.gz MGDBPVLQYHRRMJ-KGLIPLIRSA-N 0 0 434.367 4.970 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cc4ccccc4)ccc3O)CC2)cc1 ZINC000058357722 556782933 /nfs/dbraw/zinc/78/29/33/556782933.db2.gz LNKSJPPASQTXMY-UHFFFAOYSA-N 0 0 429.516 4.727 50 0 IJAARN O=C(Nc1cc2c(cc1Br)OCCO2)c1cccnc1Nc1ccccc1F ZINC000058378226 556783949 /nfs/dbraw/zinc/78/39/49/556783949.db2.gz MRYSORHUGWEVMW-UHFFFAOYSA-N 0 0 444.260 4.750 50 0 IJAARN Cc1c(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)oc2c1C(=O)CC(C)(C)C2 ZINC000058378266 556783989 /nfs/dbraw/zinc/78/39/89/556783989.db2.gz IGQWBUBILUNJJT-UHFFFAOYSA-N 0 0 438.911 4.859 50 0 IJAARN Cc1ccccc1-c1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1 ZINC000058404257 556785698 /nfs/dbraw/zinc/78/56/98/556785698.db2.gz QIPZSDUZDRAVQE-UHFFFAOYSA-N 0 0 425.488 4.968 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000058407504 556786141 /nfs/dbraw/zinc/78/61/41/556786141.db2.gz GHRQMDGPZJUKOA-MRXNPFEDSA-N 0 0 447.347 4.755 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cc(Br)co2)s1 ZINC000058407499 556786193 /nfs/dbraw/zinc/78/61/93/556786193.db2.gz LWTZYJPSBXMLPN-MLPAPPSSSA-N 0 0 442.697 4.700 50 0 IJAARN CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058448476 556789183 /nfs/dbraw/zinc/78/91/83/556789183.db2.gz RPGHBXFCZCAHEA-NRFANRHFSA-N 0 0 429.564 4.902 50 0 IJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N(C)CCOc1ccccc1F ZINC000058916203 556792946 /nfs/dbraw/zinc/79/29/46/556792946.db2.gz IFRGQIBCQZBSFI-UHFFFAOYSA-N 0 0 449.448 4.727 50 0 IJAARN COc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc(OC)c1Br ZINC000011198502 556797211 /nfs/dbraw/zinc/79/72/11/556797211.db2.gz VVUUHSWUBHKHQU-UHFFFAOYSA-N 0 0 445.269 4.564 50 0 IJAARN C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)c1ccc(Br)cc1 ZINC000002627067 556800729 /nfs/dbraw/zinc/80/07/29/556800729.db2.gz SQIGVRJHXNBBFH-SNVBAGLBSA-N 0 0 433.283 4.591 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000002635937 556801236 /nfs/dbraw/zinc/80/12/36/556801236.db2.gz XOECTTUYKHLMGD-UHFFFAOYSA-N 0 0 444.535 4.750 50 0 IJAARN O=C(c1ccccc1)C1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000059833575 556804885 /nfs/dbraw/zinc/80/48/85/556804885.db2.gz JAZXDBHELGTLNF-UHFFFAOYSA-N 0 0 432.343 4.656 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000060012717 556805846 /nfs/dbraw/zinc/80/58/46/556805846.db2.gz KCKDGEIFIDTEFQ-CYBMUJFWSA-N 0 0 435.421 4.844 50 0 IJAARN COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003276278 556808165 /nfs/dbraw/zinc/80/81/65/556808165.db2.gz XQNXTRGVRYITPZ-SDNWHVSQSA-N 0 0 449.890 4.775 50 0 IJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)COc2ccccc2F)cc1 ZINC000003304174 556809150 /nfs/dbraw/zinc/80/91/50/556809150.db2.gz OMRRZUFCFLVVTO-UHFFFAOYSA-N 0 0 436.483 4.933 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)N1CCCCCC1 ZINC000003304417 556809175 /nfs/dbraw/zinc/80/91/75/556809175.db2.gz FWHJDAADWPKIOW-UHFFFAOYSA-N 0 0 430.961 4.735 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc1 ZINC000003323750 556810449 /nfs/dbraw/zinc/81/04/49/556810449.db2.gz YNSJDDSYQKEXPB-UHFFFAOYSA-N 0 0 441.531 4.675 50 0 IJAARN CCN1C(=S)N[C@@H](c2ccccc2OC(F)F)C(C(=O)Nc2ccccc2C)=C1C ZINC000003301432 556811156 /nfs/dbraw/zinc/81/11/56/556811156.db2.gz QBJBOTFXDGDEDZ-IBGZPJMESA-N 0 0 431.508 4.760 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1C ZINC000003302359 556811539 /nfs/dbraw/zinc/81/15/39/556811539.db2.gz SKXIZTOVWLXAOX-UHFFFAOYSA-N 0 0 433.504 4.756 50 0 IJAARN Cc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)[C@H]2C)cc1 ZINC000003339432 556813057 /nfs/dbraw/zinc/81/30/57/556813057.db2.gz OGOWXQBNXDMXFV-LLVKDONJSA-N 0 0 440.714 4.751 50 0 IJAARN CCCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)NC(=O)N1c1ccc(Cl)cc1 ZINC000003348834 556813487 /nfs/dbraw/zinc/81/34/87/556813487.db2.gz WTESNXZQYGYOQB-HXUWFJFHSA-N 0 0 442.899 4.625 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000003515862 556817136 /nfs/dbraw/zinc/81/71/36/556817136.db2.gz LPJAKJOVCOQOCZ-UHFFFAOYSA-N 0 0 435.332 4.724 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)c(C)c1 ZINC000033061647 556817320 /nfs/dbraw/zinc/81/73/20/556817320.db2.gz AUWWJGBWXXQHAI-UHFFFAOYSA-N 0 0 437.569 4.516 50 0 IJAARN CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 ZINC000033064155 556819097 /nfs/dbraw/zinc/81/90/97/556819097.db2.gz VTLVYDCIEHDUPD-UHFFFAOYSA-N 0 0 444.940 4.539 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000064661966 556825948 /nfs/dbraw/zinc/82/59/48/556825948.db2.gz KGDGUZKROYVEQC-AREMUKBSSA-N 0 0 443.572 4.742 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c2ccccc2n2c1nc(-c1ccc(Cl)cc1)cc2=O ZINC000064667911 556826485 /nfs/dbraw/zinc/82/64/85/556826485.db2.gz YSTYKYIQAYAWPB-UHFFFAOYSA-N 0 0 442.906 4.917 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(F)c1 ZINC000064662289 556826515 /nfs/dbraw/zinc/82/65/15/556826515.db2.gz KLOLRTUUMMAAKI-DEOSSOPVSA-N 0 0 439.556 4.706 50 0 IJAARN CSc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064950010 556829687 /nfs/dbraw/zinc/82/96/87/556829687.db2.gz LPTWBWNCCRDROI-UHFFFAOYSA-N 0 0 430.464 4.964 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)NC5CCCCC5)C4)nccn3n2)c(C)c1 ZINC000064958779 556829786 /nfs/dbraw/zinc/82/97/86/556829786.db2.gz IJURMPGVZVLQML-HXUWFJFHSA-N 0 0 431.584 4.678 50 0 IJAARN Cc1ccc(-c2cc3c(N4CCC[C@H](C(=O)NC5CCCCC5)C4)nccn3n2)c(C)c1 ZINC000064958778 556829790 /nfs/dbraw/zinc/82/97/90/556829790.db2.gz IJURMPGVZVLQML-FQEVSTJZSA-N 0 0 431.584 4.678 50 0 IJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000033068865 556832963 /nfs/dbraw/zinc/83/29/63/556832963.db2.gz OGTDJEYHHKTZSP-UHFFFAOYSA-N 0 0 435.499 4.907 50 0 IJAARN Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000006431392 556835404 /nfs/dbraw/zinc/83/54/04/556835404.db2.gz IPVHRQPGBHUFPH-DEDYPNTBSA-N 0 0 436.309 4.562 50 0 IJAARN O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(Cc2ccccc2)CC1 ZINC000019637475 556836020 /nfs/dbraw/zinc/83/60/20/556836020.db2.gz BBNYPIXEHKHPDA-UHFFFAOYSA-N 0 0 442.950 4.908 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000019637791 556836193 /nfs/dbraw/zinc/83/61/93/556836193.db2.gz WJPJRNNUNKMOAC-UHFFFAOYSA-N 0 0 443.378 4.754 50 0 IJAARN CCOC(=O)N1CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096602442 556838079 /nfs/dbraw/zinc/83/80/79/556838079.db2.gz IYZBAXWHFTVFRC-JOCHJYFZSA-N 0 0 447.000 4.826 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C ZINC000067340642 556842563 /nfs/dbraw/zinc/84/25/63/556842563.db2.gz ARUBNGPTXNOMHZ-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN CCCCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O ZINC000008708809 556842952 /nfs/dbraw/zinc/84/29/52/556842952.db2.gz OXYHLUDWONLWCL-CQSZACIVSA-N 0 0 447.601 4.984 50 0 IJAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000008721419 556843538 /nfs/dbraw/zinc/84/35/38/556843538.db2.gz RFDNLDRVPIUBKM-UHFFFAOYSA-N 0 0 449.967 4.733 50 0 IJAARN COc1cc(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)ccc1OC(F)F ZINC000008825766 556849289 /nfs/dbraw/zinc/84/92/89/556849289.db2.gz HVUNNFAHFJPZKV-UHFFFAOYSA-N 0 0 447.459 4.671 50 0 IJAARN CCC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000033069332 556850851 /nfs/dbraw/zinc/85/08/51/556850851.db2.gz DJCIKTREDLBFCA-UHFFFAOYSA-N 0 0 449.530 4.523 50 0 IJAARN O=C(C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000033071097 556851590 /nfs/dbraw/zinc/85/15/90/556851590.db2.gz RDUMSNYLWOAPMO-UHFFFAOYSA-N 0 0 436.987 4.914 50 0 IJAARN CC(C)NC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(Cc1ccccc1)c2=O ZINC000033074154 556852969 /nfs/dbraw/zinc/85/29/69/556852969.db2.gz BJQPVPYLWJZQSG-UHFFFAOYSA-N 0 0 443.572 4.875 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)c1 ZINC000033084352 556855394 /nfs/dbraw/zinc/85/53/94/556855394.db2.gz ZHLIOEOSIAPMIR-UHFFFAOYSA-N 0 0 438.553 4.727 50 0 IJAARN CCCOc1nc2ccccc2nc1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000033088361 556856140 /nfs/dbraw/zinc/85/61/40/556856140.db2.gz VOXFQEZVSJEQEY-UHFFFAOYSA-N 0 0 438.959 4.605 50 0 IJAARN Cc1cc(C)cc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)c1 ZINC000033088390 556856417 /nfs/dbraw/zinc/85/64/17/556856417.db2.gz ASCCTOVFBUTWKM-UHFFFAOYSA-N 0 0 429.377 4.818 50 0 IJAARN CCOc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000033089214 556857884 /nfs/dbraw/zinc/85/78/84/556857884.db2.gz ZZKGDJMWXXJHFG-LBPRGKRZSA-N 0 0 427.298 4.532 50 0 IJAARN O=C(Nc1ccc(F)cc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106601 556859150 /nfs/dbraw/zinc/85/91/50/556859150.db2.gz OWHQJQZTABWRPX-UHFFFAOYSA-N 0 0 447.489 4.717 50 0 IJAARN O=C(Nc1ccccc1F)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106596 556859194 /nfs/dbraw/zinc/85/91/94/556859194.db2.gz NDVZJHWKOYMCIM-UHFFFAOYSA-N 0 0 429.499 4.578 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)s1 ZINC000033113985 556860679 /nfs/dbraw/zinc/86/06/79/556860679.db2.gz LUANNXDIVMUKNW-UHFFFAOYSA-N 0 0 440.956 4.772 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000033122056 556862959 /nfs/dbraw/zinc/86/29/59/556862959.db2.gz MBMUUATWEZOVLX-UHFFFAOYSA-N 0 0 447.520 4.517 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2=O)cc1C ZINC000033128089 556865118 /nfs/dbraw/zinc/86/51/18/556865118.db2.gz JJSMAPFJSXIKEN-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128179 556865311 /nfs/dbraw/zinc/86/53/11/556865311.db2.gz FGYQWNQGBANZPN-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN O=C(Nc1ccccc1F)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21 ZINC000033128497 556865537 /nfs/dbraw/zinc/86/55/37/556865537.db2.gz RXALRCIMQSZIAU-UHFFFAOYSA-N 0 0 445.494 4.560 50 0 IJAARN CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CCC1 ZINC000033128563 556865665 /nfs/dbraw/zinc/86/56/65/556865665.db2.gz HGNIUVSZWYSPDR-UHFFFAOYSA-N 0 0 426.582 4.703 50 0 IJAARN O=C(NCCc1ccccc1)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033125797 556866753 /nfs/dbraw/zinc/86/67/53/556866753.db2.gz GOFFCYLRGPBXLF-UHFFFAOYSA-N 0 0 428.964 4.516 50 0 IJAARN CC[C@@H](C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1 ZINC000033138356 556869879 /nfs/dbraw/zinc/86/98/79/556869879.db2.gz WKALIQSIQMEXPX-MRXNPFEDSA-N 0 0 441.578 4.562 50 0 IJAARN CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000033130271 556870256 /nfs/dbraw/zinc/87/02/56/556870256.db2.gz KEEWGUOUZVFCEX-UHFFFAOYSA-N 0 0 426.513 4.823 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131352 556872008 /nfs/dbraw/zinc/87/20/08/556872008.db2.gz ROARHOZMJLDNMG-GOSISDBHSA-N 0 0 449.016 4.656 50 0 IJAARN COc1cc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC ZINC000033172784 556883040 /nfs/dbraw/zinc/88/30/40/556883040.db2.gz AKHSNAKPTUQMQD-UHFFFAOYSA-N 0 0 446.891 4.652 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000033249290 556889013 /nfs/dbraw/zinc/88/90/13/556889013.db2.gz UJANMLJSNRZWLV-UHFFFAOYSA-N 0 0 440.540 4.956 50 0 IJAARN COc1ccc([C@H](CC(=O)NCc2cccc(Cl)c2)N2Cc3ccccc3C2=O)cc1 ZINC000033249874 556891289 /nfs/dbraw/zinc/89/12/89/556891289.db2.gz KJYHFPZCYPIDFY-QHCPKHFHSA-N 0 0 434.923 4.752 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(OC)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251171 556891936 /nfs/dbraw/zinc/89/19/36/556891936.db2.gz MSSFHJIWCXECKU-QGZVFWFLSA-N 0 0 433.430 4.631 50 0 IJAARN Cc1ccc(-c2nc3cccnc3n2CCNS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000033252080 556892491 /nfs/dbraw/zinc/89/24/91/556892491.db2.gz KTLDIAUXDOXWJW-UHFFFAOYSA-N 0 0 448.592 4.584 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)c1C ZINC000033252364 556892915 /nfs/dbraw/zinc/89/29/15/556892915.db2.gz KEAXTVNWJUIMNF-UHFFFAOYSA-N 0 0 438.531 4.983 50 0 IJAARN Cc1cccc(-c2cc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)ncn2)c1 ZINC000033260942 556897585 /nfs/dbraw/zinc/89/75/85/556897585.db2.gz XDOUCCAPUNENFI-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccco2)cc1 ZINC000019823948 556925348 /nfs/dbraw/zinc/92/53/48/556925348.db2.gz LKLMLZVKINJOJA-UHFFFAOYSA-N 0 0 426.448 4.845 50 0 IJAARN COc1cccc(C(=O)N2CCN(Cc3nc(-c4ccc5ccccc5c4)oc3C)CC2)c1 ZINC000019839426 556929087 /nfs/dbraw/zinc/92/90/87/556929087.db2.gz UZKFWLZCKPWCGR-UHFFFAOYSA-N 0 0 441.531 4.770 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000019858180 556931746 /nfs/dbraw/zinc/93/17/46/556931746.db2.gz VYZQOXJSIHMRKJ-HXUWFJFHSA-N 0 0 428.598 4.607 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860364 556932721 /nfs/dbraw/zinc/93/27/21/556932721.db2.gz RRJPANMKJRJDKF-SFHVURJKSA-N 0 0 434.989 4.644 50 0 IJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000019868629 556935431 /nfs/dbraw/zinc/93/54/31/556935431.db2.gz UJDXCNHRTOVTLY-UHFFFAOYSA-N 0 0 440.499 4.545 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)NC(=Nc2nc3ccccc3o2)N1 ZINC000019874510 556935711 /nfs/dbraw/zinc/93/57/11/556935711.db2.gz WDAWQEFFEVVLMI-QFIPXVFZSA-N 0 0 441.466 4.992 50 0 IJAARN Cc1c(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cnn1-c1ccccc1 ZINC000019880259 556936874 /nfs/dbraw/zinc/93/68/74/556936874.db2.gz OHOZITAATBLGHP-UHFFFAOYSA-N 0 0 434.543 4.709 50 0 IJAARN COc1ccc(CCN2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 ZINC000019882520 556937563 /nfs/dbraw/zinc/93/75/63/556937563.db2.gz GACRCSGUUIDDDM-UHFFFAOYSA-N 0 0 443.499 4.872 50 0 biogenic IJAARN COc1ccc(CCN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1OC ZINC000019882541 556937677 /nfs/dbraw/zinc/93/76/77/556937677.db2.gz MONOYLRKXCTXDY-UHFFFAOYSA-N 0 0 443.499 4.872 50 0 biogenic IJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019924405 556944331 /nfs/dbraw/zinc/94/43/31/556944331.db2.gz FUQGCEZKCZGLMB-UHFFFAOYSA-N 0 0 444.959 4.575 50 0 IJAARN O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21 ZINC000019939643 556953290 /nfs/dbraw/zinc/95/32/90/556953290.db2.gz HIBRYEGCZPXHAA-UHFFFAOYSA-N 0 0 445.544 4.956 50 0 IJAARN O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)NCCc1ccccc1 ZINC000019962091 556955592 /nfs/dbraw/zinc/95/55/92/556955592.db2.gz BMMDXKANJQLILA-XMMPIXPASA-N 0 0 442.563 4.564 50 0 IJAARN COc1ccc(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)c(OC)c1 ZINC000019962576 556955866 /nfs/dbraw/zinc/95/58/66/556955866.db2.gz ABUPWUIYIHEGNO-UHFFFAOYSA-N 0 0 446.894 4.679 50 0 IJAARN CC(=O)c1ccc(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)cc1 ZINC000019962560 556955915 /nfs/dbraw/zinc/95/59/15/556955915.db2.gz ADRFXXKJYNEBCY-UHFFFAOYSA-N 0 0 428.879 4.865 50 0 IJAARN Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)c(Cl)c4)ccc32)c1-c1ccc(F)cc1 ZINC000019962691 556956120 /nfs/dbraw/zinc/95/61/20/556956120.db2.gz JJFPGIYJKGNXOY-UHFFFAOYSA-N 0 0 440.265 4.850 50 0 IJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2Br)CC1 ZINC000020028712 556967912 /nfs/dbraw/zinc/96/79/12/556967912.db2.gz DIDGWETZJLHYJM-UHFFFAOYSA-N 0 0 428.157 4.714 50 0 IJAARN COc1cc(C(=O)Oc2cccn3cc(-c4ccc(Cl)cc4)nc23)cc(OC)c1OC ZINC000020031983 556969205 /nfs/dbraw/zinc/96/92/05/556969205.db2.gz NXBTUNZGZSCNNM-UHFFFAOYSA-N 0 0 438.867 4.900 50 0 IJAARN CC(C)[S@](=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F ZINC000072482092 556973768 /nfs/dbraw/zinc/97/37/68/556973768.db2.gz USQPXRQLUWVIAC-WJOKGBTCSA-N 0 0 440.475 4.618 50 0 IJAARN CCOc1ccc([C@H](C)NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264372 556973984 /nfs/dbraw/zinc/97/39/84/556973984.db2.gz KBBYILICVMYGBU-CVDCTZTESA-N 0 0 437.584 4.874 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc12 ZINC000033264705 556974479 /nfs/dbraw/zinc/97/44/79/556974479.db2.gz YRHRXXMIPUXDPB-OAHLLOKOSA-N 0 0 429.505 4.936 50 0 IJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)Nc2c(C)cccc2C)c1 ZINC000033265075 556975083 /nfs/dbraw/zinc/97/50/83/556975083.db2.gz RMQYUQBXDVWGTO-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000004728640 556976148 /nfs/dbraw/zinc/97/61/48/556976148.db2.gz DEDCMUIHONVYEA-HTAPYJJXSA-N 0 0 426.557 4.734 50 0 IJAARN O=C(NC1CCCCC1)[C@@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1 ZINC000033266393 556976837 /nfs/dbraw/zinc/97/68/37/556976837.db2.gz IPSXUMVWCMEQEV-GOSISDBHSA-N 0 0 437.975 4.715 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2Cl)CC1 ZINC000020096561 556979722 /nfs/dbraw/zinc/97/97/22/556979722.db2.gz MUOLLEYSPAGALM-UHFFFAOYSA-N 0 0 439.987 4.849 50 0 IJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NC[C@H](C)c2ccccc2)cc1 ZINC000033269045 556987293 /nfs/dbraw/zinc/98/72/93/556987293.db2.gz OJYIACVICFIUDS-KRWDZBQOSA-N 0 0 446.576 4.725 50 0 IJAARN O=C(c1ccc(Br)cc1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097111310 556990083 /nfs/dbraw/zinc/99/00/83/556990083.db2.gz MTSCGCGICHWIEO-INIZCTEOSA-N 0 0 437.297 4.541 50 0 IJAARN O=C(c1cccc(Br)c1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097123329 556990835 /nfs/dbraw/zinc/99/08/35/556990835.db2.gz GOXQSHVIVHMCJV-QGZVFWFLSA-N 0 0 437.297 4.541 50 0 IJAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCC(C)C)cc1 ZINC000020176651 556995169 /nfs/dbraw/zinc/99/51/69/556995169.db2.gz RFTFFRPVQNFDDY-JOCHJYFZSA-N 0 0 437.540 4.606 50 0 IJAARN O=C(Nc1sc2c(c1[C@@H](c1ccccn1)N1CCOCC1)CCCC2)c1ccccc1 ZINC000020192905 556996677 /nfs/dbraw/zinc/99/66/77/556996677.db2.gz NGILJVYBLDUJKV-HSZRJFAPSA-N 0 0 433.577 4.696 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000077197580 556996768 /nfs/dbraw/zinc/99/67/68/556996768.db2.gz YTEUZEBIWIDGKM-UHFFFAOYSA-N 0 0 426.498 4.550 50 0 IJAARN COc1ccc(CC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020248360 557003383 /nfs/dbraw/zinc/00/33/83/557003383.db2.gz XOZUSLXTUSMNAX-QFIPXVFZSA-N 0 0 433.895 4.847 50 0 IJAARN COc1cccc(CNC(=O)N[C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1 ZINC000020274300 557004964 /nfs/dbraw/zinc/00/49/64/557004964.db2.gz PXQBCHMSOWKILC-OAQYLSRUSA-N 0 0 448.910 4.987 50 0 IJAARN COc1cccc(CNC(=O)N[C@H](c2nnc(-c3ccccc3Cl)o2)c2ccccc2)c1 ZINC000020274298 557005004 /nfs/dbraw/zinc/00/50/04/557005004.db2.gz PXQBCHMSOWKILC-NRFANRHFSA-N 0 0 448.910 4.987 50 0 IJAARN O=C(Cn1c2c(c(=O)n1-c1ccccc1)Cc1ccccc1O2)Nc1cccc(Cl)c1 ZINC000045994488 557014899 /nfs/dbraw/zinc/01/48/99/557014899.db2.gz KFRSNASGMYOVLJ-UHFFFAOYSA-N 0 0 431.879 4.628 50 0 IJAARN c1ccc(-c2nc3sc4c(ncnc4NCCCN4CCOCC4)c3c3c2CCC3)cc1 ZINC000020438668 557017015 /nfs/dbraw/zinc/01/70/15/557017015.db2.gz HTUBSUYLOGEISX-UHFFFAOYSA-N 0 0 445.592 4.529 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cc2ccccc2o1 ZINC000010681714 557017251 /nfs/dbraw/zinc/01/72/51/557017251.db2.gz WDAPLOWDCYFEMT-UHFFFAOYSA-N 0 0 430.436 4.561 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1 ZINC000045991795 557017298 /nfs/dbraw/zinc/01/72/98/557017298.db2.gz QHBSMEDEKISZHD-SFHVURJKSA-N 0 0 428.492 4.646 50 0 IJAARN CCn1nc(C)c2c1nc(O[C@H](C)C(=O)Nc1cccc(OC)c1)cc2-c1ccccc1 ZINC000045992224 557017913 /nfs/dbraw/zinc/01/79/13/557017913.db2.gz GOVTWMWFZMABTG-QGZVFWFLSA-N 0 0 430.508 4.841 50 0 IJAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)cc(C(F)(F)F)c12 ZINC000045992455 557018136 /nfs/dbraw/zinc/01/81/36/557018136.db2.gz UBPGWZNNGJUMSB-LLVKDONJSA-N 0 0 426.826 4.663 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000046012286 557018737 /nfs/dbraw/zinc/01/87/37/557018737.db2.gz RNOBPJRDFDJSIA-KRWDZBQOSA-N 0 0 429.476 4.668 50 0 IJAARN COc1ccc(-c2csc(SCc3ccc(C(=O)N4CCCC4)o3)n2)cc1OC ZINC000023136445 557018754 /nfs/dbraw/zinc/01/87/54/557018754.db2.gz SUBZLPSRKVJRBO-UHFFFAOYSA-N 0 0 430.551 4.949 50 0 IJAARN CCc1cc(OCC(=O)N(C)Cc2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017158 557020474 /nfs/dbraw/zinc/02/04/74/557020474.db2.gz DQHNEMJAICTVNV-UHFFFAOYSA-N 0 0 428.536 4.637 50 0 IJAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045327 557025395 /nfs/dbraw/zinc/02/53/95/557025395.db2.gz MBDSFZYNIUNIBS-HSZRJFAPSA-N 0 0 446.616 4.702 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045314 557025466 /nfs/dbraw/zinc/02/54/66/557025466.db2.gz HINBAYJEXRHHCK-JOCHJYFZSA-N 0 0 432.589 4.659 50 0 IJAARN CC[C@H](NC(=O)COc1ccc(C)cc1C)c1noc(-c2cccc(Br)c2)n1 ZINC000072275058 557025803 /nfs/dbraw/zinc/02/58/03/557025803.db2.gz ZGYRJZIIWSKXIU-KRWDZBQOSA-N 0 0 444.329 4.762 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)C1=Cc3cc(OC)ccc3OC=C1)C[C@@H](C)CC2 ZINC000021797871 557026396 /nfs/dbraw/zinc/02/63/96/557026396.db2.gz NGMMRIPLTIHLQW-AWEZNQCLSA-N 0 0 439.533 4.986 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4c(c3)nc(C)n4C)cc2)cc1 ZINC000072071454 557026867 /nfs/dbraw/zinc/02/68/67/557026867.db2.gz MWKKTOUEHPZPTK-UHFFFAOYSA-N 0 0 428.492 4.785 50 0 IJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046056735 557028359 /nfs/dbraw/zinc/02/83/59/557028359.db2.gz LYUYPUDYEWFHGA-SFHVURJKSA-N 0 0 438.325 4.869 50 0 IJAARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153783 557028711 /nfs/dbraw/zinc/02/87/11/557028711.db2.gz WLEZTFISFGSTBM-UHFFFAOYSA-N 0 0 447.604 4.955 50 0 IJAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010812348 557029487 /nfs/dbraw/zinc/02/94/87/557029487.db2.gz VEXVRBJOBXYMST-QGZVFWFLSA-N 0 0 434.970 4.737 50 0 IJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cc(Cl)ccc3OC)cc2c1 ZINC000046058402 557029484 /nfs/dbraw/zinc/02/94/84/557029484.db2.gz ACFDFDNINMIKSC-UHFFFAOYSA-N 0 0 438.958 4.602 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000046076213 557032543 /nfs/dbraw/zinc/03/25/43/557032543.db2.gz KALYWQGRANIMGQ-INIZCTEOSA-N 0 0 425.506 4.924 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000046077420 557033100 /nfs/dbraw/zinc/03/31/00/557033100.db2.gz FKRXIRRLEZQDPO-UHFFFAOYSA-N 0 0 428.897 4.832 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078594 557033562 /nfs/dbraw/zinc/03/35/62/557033562.db2.gz YTPUKCCIJKEUQU-UHFFFAOYSA-N 0 0 428.488 4.627 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000046079612 557034696 /nfs/dbraw/zinc/03/46/96/557034696.db2.gz UMVWWGRHYVOSOG-UHFFFAOYSA-N 0 0 431.511 4.631 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1 ZINC000046079937 557035251 /nfs/dbraw/zinc/03/52/51/557035251.db2.gz WTQVNEYLQVTXFH-UHFFFAOYSA-N 0 0 438.890 4.959 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033270706 557047308 /nfs/dbraw/zinc/04/73/08/557047308.db2.gz JOPAMPSMYIJJHE-UHFFFAOYSA-N 0 0 431.880 4.602 50 0 IJAARN Cc1ccc(NC(=O)CCc2nc(CSc3n[nH]c(-c4ccccc4C)n3)no2)cc1C ZINC000033270940 557048118 /nfs/dbraw/zinc/04/81/18/557048118.db2.gz DDLWKMGUAIDQGD-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN Cc1ccc2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cn2c1 ZINC000022926778 557048520 /nfs/dbraw/zinc/04/85/20/557048520.db2.gz FIFABNSGRAQZSN-UHFFFAOYSA-N 0 0 432.518 4.828 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1OC ZINC000033271503 557049509 /nfs/dbraw/zinc/04/95/09/557049509.db2.gz CUSHTYRLDBSLNY-MRXNPFEDSA-N 0 0 448.548 4.980 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271762 557050041 /nfs/dbraw/zinc/05/00/41/557050041.db2.gz HEBRRHWSIQHIMD-UHFFFAOYSA-N 0 0 435.768 4.855 50 0 IJAARN CSc1cccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccc4)s3)c2C)c1 ZINC000033273854 557052330 /nfs/dbraw/zinc/05/23/30/557052330.db2.gz RNWWGAOIRJDTRD-UHFFFAOYSA-N 0 0 435.578 4.660 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000048290789 557055260 /nfs/dbraw/zinc/05/52/60/557055260.db2.gz YMSZTQNUQHZPBD-HSZRJFAPSA-N 0 0 431.561 4.676 50 0 IJAARN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000023009515 557057192 /nfs/dbraw/zinc/05/71/92/557057192.db2.gz MKSDADXUQYLUCP-UHFFFAOYSA-N 0 0 440.956 4.805 50 0 IJAARN COc1ccc(S(=O)(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)cc1NC(C)=O ZINC000017334273 557060770 /nfs/dbraw/zinc/06/07/70/557060770.db2.gz WTMZUDOXZFAHTE-HSZRJFAPSA-N 0 0 432.586 4.528 50 0 IJAARN CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)s1 ZINC000023055207 557060818 /nfs/dbraw/zinc/06/08/18/557060818.db2.gz MQMHUGRIJHMYDH-UHFFFAOYSA-N 0 0 448.545 4.634 50 0 IJAARN O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCN(c2ccccc2)CC1 ZINC000033279002 557061070 /nfs/dbraw/zinc/06/10/70/557061070.db2.gz NCIDHQCAYBRXMV-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2ccc(OC)cc2OC)n1 ZINC000033279915 557062500 /nfs/dbraw/zinc/06/25/00/557062500.db2.gz GROHWZBBGGWSKY-UHFFFAOYSA-N 0 0 446.507 4.975 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3c2)c1 ZINC000033284312 557063525 /nfs/dbraw/zinc/06/35/25/557063525.db2.gz RQQIBGFQPZWHHR-UHFFFAOYSA-N 0 0 445.548 4.638 50 0 IJAARN COc1ccccc1CN1CCc2nc(SCc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000033287273 557064339 /nfs/dbraw/zinc/06/43/39/557064339.db2.gz WPYPLTBQVDXUAP-UHFFFAOYSA-N 0 0 427.957 4.695 50 0 IJAARN O=C(CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O)Nc1ccccc1F ZINC000023138339 557067201 /nfs/dbraw/zinc/06/72/01/557067201.db2.gz JDALHYOTLWZLFM-UHFFFAOYSA-N 0 0 427.888 4.946 50 0 IJAARN CCOc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(C(C)(C)C)cc4)o3)CC2=O)cc1 ZINC000033290987 557069178 /nfs/dbraw/zinc/06/91/78/557069178.db2.gz OTJZTBVIGRYKJP-KRWDZBQOSA-N 0 0 448.523 4.539 50 0 IJAARN Cn1c(SCc2ccc(OCc3ccncc3)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000048366705 557075244 /nfs/dbraw/zinc/07/52/44/557075244.db2.gz RBFMEOCIXUSTHW-JOCHJYFZSA-N 0 0 446.532 4.594 50 0 IJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccccc3Br)C2)s1 ZINC000033299593 557078284 /nfs/dbraw/zinc/07/82/84/557078284.db2.gz VRCCGBUOWVYKOY-MRXNPFEDSA-N 0 0 444.398 4.900 50 0 IJAARN O=C(CN1CCC[C@H]1c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000023259246 557080553 /nfs/dbraw/zinc/08/05/53/557080553.db2.gz NFIWHKMMGHPAKP-IBGZPJMESA-N 0 0 440.590 4.951 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cnc(SC)n1-c1ccccc1 ZINC000023258988 557080559 /nfs/dbraw/zinc/08/05/59/557080559.db2.gz PKKKHCVIVIKILA-UHFFFAOYSA-N 0 0 442.972 4.657 50 0 IJAARN Cc1ccccc1-n1c(=S)n(CN2CCOCC2)nc1-c1ccc(Cl)cc1Cl ZINC000023381597 557089143 /nfs/dbraw/zinc/08/91/43/557089143.db2.gz HUCLDNLXHXWHLJ-UHFFFAOYSA-N 0 0 435.380 4.975 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](C(=O)NC1CCCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004760133 557090403 /nfs/dbraw/zinc/09/04/03/557090403.db2.gz YEFNHDWBEHEITJ-YADHBBJMSA-N 0 0 442.581 4.515 50 0 IJAARN O=C(NC1CC1)[C@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000011328522 557091386 /nfs/dbraw/zinc/09/13/86/557091386.db2.gz WUYBSQILAFZUSB-GOSISDBHSA-N 0 0 433.892 4.553 50 0 IJAARN CCCCCNC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 ZINC000049003681 557091763 /nfs/dbraw/zinc/09/17/63/557091763.db2.gz RNKSBIRDAUOLKY-UHFFFAOYSA-N 0 0 437.853 4.922 50 0 IJAARN O=C(Nc1ccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)s1)C1CC1 ZINC000023455526 557092812 /nfs/dbraw/zinc/09/28/12/557092812.db2.gz QCOWOYRSPCOFLO-UHFFFAOYSA-N 0 0 440.546 4.776 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)Nc1ccccn1 ZINC000004762634 557094266 /nfs/dbraw/zinc/09/42/66/557094266.db2.gz BMZUARBWAUOUHX-IWJYVYHMSA-N 0 0 431.580 4.943 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311313 557094859 /nfs/dbraw/zinc/09/48/59/557094859.db2.gz DNZXVOMSNAOMMD-NSFRLNINSA-N 0 0 432.564 4.644 50 0 IJAARN Cc1c(C(=O)OCc2ncc(-c3ccccc3)o2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023569127 557099332 /nfs/dbraw/zinc/09/93/32/557099332.db2.gz IQZZDMLVECVAOF-UHFFFAOYSA-N 0 0 428.370 4.607 50 0 IJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n([C@H](C)C(=O)Nc2ccccc2)c1=O ZINC000033317918 557099810 /nfs/dbraw/zinc/09/98/10/557099810.db2.gz SIGVFZNMODGTCZ-QGZVFWFLSA-N 0 0 440.503 4.612 50 0 IJAARN CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000011332157 557100146 /nfs/dbraw/zinc/10/01/46/557100146.db2.gz SZLXMUNYOXSKAA-UHFFFAOYSA-N 0 0 444.940 4.832 50 0 IJAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(N2CCCC2)n1 ZINC000033318474 557100231 /nfs/dbraw/zinc/10/02/31/557100231.db2.gz OZAMYMGXGIAXSK-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN Cc1nnc2c(S(=O)(=O)N(Cc3cc(C)ccc3C)c3cccc(Cl)c3)cccn12 ZINC000049405203 557100616 /nfs/dbraw/zinc/10/06/16/557100616.db2.gz WPWYKKPXHMPSOK-UHFFFAOYSA-N 0 0 440.956 4.703 50 0 IJAARN COc1cc(OC)c(OC)cc1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000023641317 557102179 /nfs/dbraw/zinc/10/21/79/557102179.db2.gz WXPHJRJZUWQUIM-OIQJVACTSA-N 0 0 441.524 4.594 50 0 IJAARN O=C([C@H](Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1)N1CCCC1 ZINC000017665771 557106505 /nfs/dbraw/zinc/10/65/05/557106505.db2.gz LXRYGYJFLUYWMP-QGZVFWFLSA-N 0 0 444.354 4.955 50 0 IJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3cccc(C)c3)n2)cc1 ZINC000033324976 557107015 /nfs/dbraw/zinc/10/70/15/557107015.db2.gz XQKIQJJXLQHWQM-UHFFFAOYSA-N 0 0 429.476 4.950 50 0 IJAARN COc1ccccc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 ZINC000017709219 557108712 /nfs/dbraw/zinc/10/87/12/557108712.db2.gz HKHBMXYOTGPRMW-QFIPXVFZSA-N 0 0 444.560 4.865 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)ccc2OC)C12CCCCC2 ZINC000049545598 557111524 /nfs/dbraw/zinc/11/15/24/557111524.db2.gz PCPNEZQYWNZKSC-HSZRJFAPSA-N 0 0 436.552 4.531 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000049548541 557112332 /nfs/dbraw/zinc/11/23/32/557112332.db2.gz WCPHWTGUGPQKNG-INIZCTEOSA-N 0 0 427.888 4.734 50 0 IJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000049550273 557113249 /nfs/dbraw/zinc/11/32/49/557113249.db2.gz QSXGVHZSSQQZHD-QGZVFWFLSA-N 0 0 444.413 4.887 50 0 IJAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000049590278 557116897 /nfs/dbraw/zinc/11/68/97/557116897.db2.gz YCSIXMUHMSIQMH-FQEVSTJZSA-N 0 0 431.554 4.536 50 0 IJAARN O=C(/C=C\c1ccccc1Cl)N1CCCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000033333793 557118214 /nfs/dbraw/zinc/11/82/14/557118214.db2.gz ISGGSUWJVRGGBG-MIMPSMLTSA-N 0 0 429.347 4.781 50 0 IJAARN CC(C)Cn1cc(C(=O)NCCc2ccccc2Cl)c2c3ccccc3n(C)c2c1=O ZINC000004788966 557119877 /nfs/dbraw/zinc/11/98/77/557119877.db2.gz MKQNKNJPSHLYSB-UHFFFAOYSA-N 0 0 435.955 4.775 50 0 IJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(OC)ccc2ccccc21 ZINC000000641193 557124231 /nfs/dbraw/zinc/12/42/31/557124231.db2.gz FDWSONIPSKXESA-QHCPKHFHSA-N 0 0 431.492 4.514 50 0 IJAARN CCC(=O)Oc1c(OC)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OC ZINC000000647279 557124368 /nfs/dbraw/zinc/12/43/68/557124368.db2.gz CVYNSCCYDAOUTN-XDHOZWIPSA-N 0 0 431.444 4.517 50 0 IJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nc(-c3ccsc3)no1)CC2 ZINC000023983311 557129574 /nfs/dbraw/zinc/12/95/74/557129574.db2.gz LCAUNPGHITVAQA-QHCPKHFHSA-N 0 0 433.533 4.963 50 0 IJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3n2)cc1 ZINC000000661517 557131172 /nfs/dbraw/zinc/13/11/72/557131172.db2.gz JJLWFBZCLLXCGF-UHFFFAOYSA-N 0 0 433.489 4.578 50 0 IJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(N)=O)C1 ZINC000000670754 557132850 /nfs/dbraw/zinc/13/28/50/557132850.db2.gz FRRCJNFNJHGASY-SECBINFHSA-N 0 0 425.348 4.606 50 0 IJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(N)=O)C1 ZINC000000670751 557132860 /nfs/dbraw/zinc/13/28/60/557132860.db2.gz FRRCJNFNJHGASY-VIFPVBQESA-N 0 0 425.348 4.606 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)c(Cl)c1 ZINC000002879686 557133675 /nfs/dbraw/zinc/13/36/75/557133675.db2.gz GJMXZYYPPGGCGD-UHFFFAOYSA-N 0 0 448.688 4.519 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1ccc(F)cc1 ZINC000000676529 557133997 /nfs/dbraw/zinc/13/39/97/557133997.db2.gz CKINZFBPRQYAGM-UHFFFAOYSA-N 0 0 430.432 4.626 50 0 IJAARN CCOC(=O)COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 ZINC000009171264 557136598 /nfs/dbraw/zinc/13/65/98/557136598.db2.gz CFJCHPSXLSPHLW-QGZVFWFLSA-N 0 0 440.546 4.743 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCOCC2)cc1 ZINC000024102724 557137523 /nfs/dbraw/zinc/13/75/23/557137523.db2.gz HFGAMTLGYCWQHG-UHFFFAOYSA-N 0 0 427.552 4.530 50 0 IJAARN Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000000705665 557139668 /nfs/dbraw/zinc/13/96/68/557139668.db2.gz OUSONFSVSWXGSL-DEOSSOPVSA-N 0 0 427.504 4.953 50 0 IJAARN CCOc1cc(CN(CC(=O)Nc2cc(C(C)(C)C)no2)C2CC2)ccc1OC(F)F ZINC000024216850 557141486 /nfs/dbraw/zinc/14/14/86/557141486.db2.gz SUBXWGWTYIELQU-UHFFFAOYSA-N 0 0 437.487 4.575 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(-c2ccco2)on1 ZINC000024433903 557146663 /nfs/dbraw/zinc/14/66/63/557146663.db2.gz DVUSSUWPHYAWPG-UHFFFAOYSA-N 0 0 443.868 4.641 50 0 IJAARN CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CSc1nnnn1-c1ccccc1 ZINC000584906278 557146840 /nfs/dbraw/zinc/14/68/40/557146840.db2.gz SLSQDXUWHPZWRG-MRXNPFEDSA-N 0 0 449.580 4.584 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000024501237 557148777 /nfs/dbraw/zinc/14/87/77/557148777.db2.gz UPQAUNYIGJGJJH-XMMPIXPASA-N 0 0 427.548 4.764 50 0 IJAARN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610621 557154923 /nfs/dbraw/zinc/15/49/23/557154923.db2.gz KLGYOFCGPXQUGR-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN CCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000000728010 557156900 /nfs/dbraw/zinc/15/69/00/557156900.db2.gz NBTUIIOMVQKJBK-UHFFFAOYSA-N 0 0 432.428 4.996 50 0 biogenic IJAARN COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1OC ZINC000024729556 557160989 /nfs/dbraw/zinc/16/09/89/557160989.db2.gz XVECHWXWYJCPIK-QFIPXVFZSA-N 0 0 429.520 4.613 50 0 IJAARN CCc1cccc(C)c1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000095929302 557161751 /nfs/dbraw/zinc/16/17/51/557161751.db2.gz DPNHWIZTPFHEIZ-DEOSSOPVSA-N 0 0 426.520 4.519 50 0 IJAARN O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000206891827 557165677 /nfs/dbraw/zinc/16/56/77/557165677.db2.gz WTLAMSOFBPLGLT-UHFFFAOYSA-N 0 0 430.489 4.859 50 0 IJAARN Cc1cc(-c2ccccc2)nc(SCCS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000024834297 557166482 /nfs/dbraw/zinc/16/64/82/557166482.db2.gz YSQWVWJAMLXUPO-UHFFFAOYSA-N 0 0 449.395 4.781 50 0 IJAARN Cc1cc(OC2CCN(C(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc(=O)o1 ZINC000206972543 557168595 /nfs/dbraw/zinc/16/85/95/557168595.db2.gz UBJWLRPCCNVRIB-UHFFFAOYSA-N 0 0 443.849 4.623 50 0 IJAARN COc1ccc(-n2c(SC)nc3c(sc(=S)n3-c3ccccc3)c2=O)cc1OC ZINC000000756684 557170238 /nfs/dbraw/zinc/17/02/38/557170238.db2.gz FZSBAAWHFFQZLR-UHFFFAOYSA-N 0 0 443.575 4.706 50 0 IJAARN CN1C(=O)c2ccc(NC(=O)N[C@H](c3cc4ccccc4o3)c3ccccc3)cc2C1=O ZINC000024831346 557170433 /nfs/dbraw/zinc/17/04/33/557170433.db2.gz XUPPXCAEDGHKLZ-QFIPXVFZSA-N 0 0 425.444 4.570 50 0 IJAARN CC(=O)N[C@@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000777974 557172786 /nfs/dbraw/zinc/17/27/86/557172786.db2.gz DYBPUXNBXIEJES-VIFPVBQESA-N 0 0 443.998 4.766 50 0 IJAARN Cc1cnc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cn1 ZINC000024842988 557173594 /nfs/dbraw/zinc/17/35/94/557173594.db2.gz GEGFGPFNWOBNLY-INIZCTEOSA-N 0 0 448.470 4.753 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)nc1-c1ccccc1 ZINC000024844829 557174220 /nfs/dbraw/zinc/17/42/20/557174220.db2.gz SQHQWLMRKHUIPR-FQEVSTJZSA-N 0 0 447.560 4.812 50 0 IJAARN Cc1nc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C ZINC000009265114 557182815 /nfs/dbraw/zinc/18/28/15/557182815.db2.gz RFAVZWMEBAVRDX-UHFFFAOYSA-N 0 0 435.578 4.662 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)sc1C ZINC000009265254 557183175 /nfs/dbraw/zinc/18/31/75/557183175.db2.gz PMKQNHJIRVQDIU-CQSZACIVSA-N 0 0 425.539 4.720 50 0 IJAARN COc1ccc([C@@H]2NC(=S)N(c3ccc(C)cc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1 ZINC000011553616 557183675 /nfs/dbraw/zinc/18/36/75/557183675.db2.gz KLWASFAWVRQXAB-QFIPXVFZSA-N 0 0 448.548 4.649 50 0 IJAARN C[C@@H](CCc1ccco1)NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000024970361 557183784 /nfs/dbraw/zinc/18/37/84/557183784.db2.gz NWFAJIUVTBTPGB-ZDUSSCGKSA-N 0 0 429.870 4.701 50 0 IJAARN Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1 ZINC000009262767 557184512 /nfs/dbraw/zinc/18/45/12/557184512.db2.gz DFOLTMJCVLZWLM-UHFFFAOYSA-N 0 0 425.517 4.772 50 0 IJAARN COc1ccccc1CN(C)C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000024975036 557184550 /nfs/dbraw/zinc/18/45/50/557184550.db2.gz UZGHWXLPJKAXJQ-UHFFFAOYSA-N 0 0 444.000 4.796 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nccn1-c1cc(C)cc(C)c1 ZINC000025055949 557192054 /nfs/dbraw/zinc/19/20/54/557192054.db2.gz NHEDSTRZSHWONF-UHFFFAOYSA-N 0 0 439.581 4.647 50 0 IJAARN CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccco2)cc1 ZINC000025054614 557192103 /nfs/dbraw/zinc/19/21/03/557192103.db2.gz XZQCNNIICSOMPM-HNNXBMFYSA-N 0 0 438.553 4.755 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000100869061 557193551 /nfs/dbraw/zinc/19/35/51/557193551.db2.gz ZOUSQWWRNUCDRR-MRXNPFEDSA-N 0 0 432.119 4.859 50 0 IJAARN O=C(CSc1nnc(NC(=O)c2cccc(Cl)c2)s1)c1ccc(F)c(F)c1 ZINC000096280179 557193982 /nfs/dbraw/zinc/19/39/82/557193982.db2.gz DPOHKFWJJGICIW-UHFFFAOYSA-N 0 0 425.869 4.697 50 0 IJAARN COCCn1c2ccc(OC)cc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100873164 557196126 /nfs/dbraw/zinc/19/61/26/557196126.db2.gz OGKZWVCAUBDIOT-QPLCGJKRSA-N 0 0 432.545 4.617 50 0 IJAARN O=C(Oc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000000793016 557199991 /nfs/dbraw/zinc/19/99/91/557199991.db2.gz PYYGOTJYZYFJLJ-UHFFFAOYSA-N 0 0 428.337 4.777 50 0 IJAARN COC(=O)c1cc2ccccc2cc1OC(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000025320687 557203903 /nfs/dbraw/zinc/20/39/03/557203903.db2.gz XPTIBLBCZVQCPJ-UHFFFAOYSA-N 0 0 433.485 4.907 50 0 IJAARN CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169677572 557209524 /nfs/dbraw/zinc/20/95/24/557209524.db2.gz XSSHRPPOIVBOPI-GNSUPJDDSA-N 0 0 449.492 4.627 50 0 IJAARN CCCCCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 ZINC000011613811 557209866 /nfs/dbraw/zinc/20/98/66/557209866.db2.gz LWSMGAOLYDVMGX-UHFFFAOYSA-N 0 0 427.522 4.616 50 0 IJAARN O=C(COCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023316997 557215428 /nfs/dbraw/zinc/21/54/28/557215428.db2.gz MCJBGUFNUOJXAK-AREMUKBSSA-N 0 0 434.967 4.790 50 0 IJAARN COc1ccc(Cc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)o2)cc1 ZINC000011649980 557219461 /nfs/dbraw/zinc/21/94/61/557219461.db2.gz IVCAEKDMUOFSOQ-UHFFFAOYSA-N 0 0 445.544 4.667 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000025792791 557226758 /nfs/dbraw/zinc/22/67/58/557226758.db2.gz KFCREWZKRPAMRR-UHFFFAOYSA-N 0 0 433.888 4.714 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)c12 ZINC000025893262 557229498 /nfs/dbraw/zinc/22/94/98/557229498.db2.gz QFAVMXCOLIVQSG-MRXNPFEDSA-N 0 0 449.580 4.836 50 0 IJAARN Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)o2)cc1 ZINC000011644420 557231162 /nfs/dbraw/zinc/23/11/62/557231162.db2.gz ZIKPUQCZKJPQRL-ZDUSSCGKSA-N 0 0 448.306 4.855 50 0 IJAARN CCc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1 ZINC000098211458 557234864 /nfs/dbraw/zinc/23/48/64/557234864.db2.gz VOKSFDNXQKMWEB-UHFFFAOYSA-N 0 0 434.471 4.862 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(Cl)cc3)n2)cc1F ZINC000098211417 557234932 /nfs/dbraw/zinc/23/49/32/557234932.db2.gz MQEUZJWHQMJBBA-UHFFFAOYSA-N 0 0 426.835 4.645 50 0 IJAARN O=c1c2ccccc2nc(SCc2coc(-c3ccc(F)cc3)n2)n1C[C@H]1CCCO1 ZINC000026184986 557237123 /nfs/dbraw/zinc/23/71/23/557237123.db2.gz MZIGCXPKVSEZPR-GOSISDBHSA-N 0 0 437.496 4.662 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCC[C@@H]1c1cccs1 ZINC000026225344 557237408 /nfs/dbraw/zinc/23/74/08/557237408.db2.gz UHAAHPZCTQZONF-MRXNPFEDSA-N 0 0 430.624 4.783 50 0 IJAARN COc1cc(C(=O)NCCSCc2cccs2)ccc1OCc1c(C)noc1C ZINC000018109609 557237560 /nfs/dbraw/zinc/23/75/60/557237560.db2.gz ZWSCHMDSYDDBHR-UHFFFAOYSA-N 0 0 432.567 4.604 50 0 IJAARN COc1cc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc(OC)c1 ZINC000032950750 557238675 /nfs/dbraw/zinc/23/86/75/557238675.db2.gz ZVRYMQKBZZPPFQ-UHFFFAOYSA-N 0 0 434.471 4.681 50 0 IJAARN Brc1cccc(OCCSc2nnc([C@H]3COc4ccccc4O3)o2)c1 ZINC000026436079 557241010 /nfs/dbraw/zinc/24/10/10/557241010.db2.gz LEFQLHJEDJUNPM-MRXNPFEDSA-N 0 0 435.299 4.516 50 0 IJAARN Cc1csc(=O)n1CCCC(=O)O[C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000026585359 557245464 /nfs/dbraw/zinc/24/54/64/557245464.db2.gz SCECUOOHUXSFLU-QHCPKHFHSA-N 0 0 434.517 4.647 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc(C)cc4C)n3c2)cc1 ZINC000032951574 557245803 /nfs/dbraw/zinc/24/58/03/557245803.db2.gz FZOZZZJIYPBIOD-UHFFFAOYSA-N 0 0 445.548 4.638 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCn2c(=O)oc3cc(Cl)ccc32)cs1 ZINC000018235806 557253697 /nfs/dbraw/zinc/25/36/97/557253697.db2.gz ZNNSBBDESCWBBF-UHFFFAOYSA-N 0 0 439.924 4.659 50 0 IJAARN CCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000027020115 557254850 /nfs/dbraw/zinc/25/48/50/557254850.db2.gz OXUHMIQXZKIIGY-FCQUAONHSA-N 0 0 427.595 4.644 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cccc(Cl)c3)o2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000027022467 557255554 /nfs/dbraw/zinc/25/55/54/557255554.db2.gz DFNHGHRFSFEUNW-BOIKWEOWSA-N 0 0 431.904 4.783 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1c2ccccc2nc(=O)n1Cc1cccs1 ZINC000101113998 557256367 /nfs/dbraw/zinc/25/63/67/557256367.db2.gz DXSPKOGVGLRSIG-XIEYBQDHSA-N 0 0 445.331 4.879 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000100488497 557262058 /nfs/dbraw/zinc/26/20/58/557262058.db2.gz CJTLEQZYYZCEDZ-INIZCTEOSA-N 0 0 432.119 4.859 50 0 IJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000027580121 557266412 /nfs/dbraw/zinc/26/64/12/557266412.db2.gz SMYISDDXIXGNTE-OAQYLSRUSA-N 0 0 426.944 4.815 50 0 IJAARN CCCCC(=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000027664082 557269963 /nfs/dbraw/zinc/26/99/63/557269963.db2.gz QBDHHXCULQHDSO-QGZVFWFLSA-N 0 0 443.487 4.671 50 0 IJAARN CC(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)cc1 ZINC000100736432 557272895 /nfs/dbraw/zinc/27/28/95/557272895.db2.gz GUXHSSDEXOEKQB-FUHIMQAGSA-N 0 0 440.849 4.567 50 0 IJAARN CCc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)cc3C)C(=O)C2)cc1 ZINC000101320344 557273431 /nfs/dbraw/zinc/27/34/31/557273431.db2.gz GOINZWOZECZLMX-UHFFFAOYSA-N 0 0 426.520 4.757 50 0 IJAARN O=C(c1cc(=O)c2ccc(Br)cc2o1)N1CCC(Cc2ccccc2)CC1 ZINC000027793897 557274478 /nfs/dbraw/zinc/27/44/78/557274478.db2.gz DWCWERRLMJXBAA-UHFFFAOYSA-N 0 0 426.310 4.650 50 0 IJAARN CC(C)C[C@@H]1CC(=O)N([C@]2(C(=O)NC3CCCC3)CC[C@@H]3Cc4ccccc4C[C@@H]3C2)C1 ZINC000101377106 557281457 /nfs/dbraw/zinc/28/14/57/557281457.db2.gz QXIPICBQAYJCPL-CYKADTSBSA-N 0 0 436.640 4.894 50 0 IJAARN COc1cccc(OC)c1C(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000101094857 557282919 /nfs/dbraw/zinc/28/29/19/557282919.db2.gz ZUGKLKDPKXHMAM-UHFFFAOYSA-N 0 0 430.460 4.675 50 0 IJAARN O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000101094451 557282992 /nfs/dbraw/zinc/28/29/92/557282992.db2.gz DCCCNEZWJWEFPF-UHFFFAOYSA-N 0 0 438.549 4.827 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1 ZINC000011665561 557284422 /nfs/dbraw/zinc/28/44/22/557284422.db2.gz DYJVHPMHLNDNBT-UHFFFAOYSA-N 0 0 436.475 4.504 50 0 IJAARN O=C(C(=Cc1ccsc1)c1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)N1CCCC1 ZINC000013117680 557296487 /nfs/dbraw/zinc/29/64/87/557296487.db2.gz YXRLGPRXJPPVBR-SFQUDFHCSA-N 0 0 433.558 4.876 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2[nH]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828637 557300194 /nfs/dbraw/zinc/30/01/94/557300194.db2.gz VBUQPNDIGLIHHW-UHFFFAOYSA-N 0 0 446.869 4.541 50 0 IJAARN C[C@@H](NC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C)c1ccc(F)cc1 ZINC000014085582 557300260 /nfs/dbraw/zinc/30/02/60/557300260.db2.gz JDWPGABTTLBFTM-ZIAGYGMSSA-N 0 0 448.951 4.545 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000011666573 557300911 /nfs/dbraw/zinc/30/09/11/557300911.db2.gz QLXWIUFCABDOQG-QHCPKHFHSA-N 0 0 429.472 4.878 50 0 IJAARN Cc1nc(Cl)cc(NNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC000078993916 557300932 /nfs/dbraw/zinc/30/09/32/557300932.db2.gz AIKHTDMUZCCWHE-UHFFFAOYSA-N 0 0 446.942 4.724 50 0 IJAARN Cc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c1Cc1ccccc1 ZINC000014095896 557302810 /nfs/dbraw/zinc/30/28/10/557302810.db2.gz VDIZZCWSDJOYFR-NRFANRHFSA-N 0 0 449.576 4.536 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)cc3Cl)C(=O)C2)cc1 ZINC000101881345 557305363 /nfs/dbraw/zinc/30/53/63/557305363.db2.gz HSPGRXUJLYGEEN-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)NCc3ccccc3C)cc2)n1 ZINC000023327522 557313612 /nfs/dbraw/zinc/31/36/12/557313612.db2.gz VHXNOLVBXDXZEI-UHFFFAOYSA-N 0 0 433.552 4.876 50 0 IJAARN O=C(/C=C/c1cc2ccccc2[nH]c1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000032752865 557314908 /nfs/dbraw/zinc/31/49/08/557314908.db2.gz RBRVSKBDPXQBLC-AZUYTJHFSA-N 0 0 432.523 4.955 50 0 IJAARN COc1ccc(-c2nc(NC(=O)CCCn3cnc4c(C)cccc4c3=O)sc2C)cc1 ZINC000032847799 557316718 /nfs/dbraw/zinc/31/67/18/557316718.db2.gz HQTXCTHGMBIAPV-UHFFFAOYSA-N 0 0 448.548 4.564 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2ccccc2c1=O ZINC000014201057 557317340 /nfs/dbraw/zinc/31/73/40/557317340.db2.gz XUYIALKNFGEVML-JOCHJYFZSA-N 0 0 429.545 4.616 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000014200506 557317365 /nfs/dbraw/zinc/31/73/65/557317365.db2.gz RYUBAEUDJNXGOC-GFCCVEGCSA-N 0 0 446.326 4.821 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3cccc(Cl)c3)c2cc1C ZINC000032944916 557317704 /nfs/dbraw/zinc/31/77/04/557317704.db2.gz RKBSMOYBSXHNKC-ZDUSSCGKSA-N 0 0 437.849 4.563 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)[C@H]1C ZINC000102392156 557320755 /nfs/dbraw/zinc/32/07/55/557320755.db2.gz PYIVBMXBCPYKRF-JTDSTZFVSA-N 0 0 439.556 4.558 50 0 IJAARN COC(=O)c1sc2ccc(NC(=O)COc3ccc(OC)cc3)cc2c1OCC(C)C ZINC000033123566 557324684 /nfs/dbraw/zinc/32/46/84/557324684.db2.gz RJDUCKLJDRKRSD-UHFFFAOYSA-N 0 0 443.521 4.749 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccc(OC)cc4)n3)cc2)cc1 ZINC000033130368 557325276 /nfs/dbraw/zinc/32/52/76/557325276.db2.gz JFHSHVYNVXAKKN-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN CN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000014242298 557329025 /nfs/dbraw/zinc/32/90/25/557329025.db2.gz RCXKBAPAUSRPIL-UHFFFAOYSA-N 0 0 427.368 4.671 50 0 IJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3ccccc3C(F)(F)F)c2)sc1C ZINC000033297666 557330736 /nfs/dbraw/zinc/33/07/36/557330736.db2.gz NSDNRDRYXSZXKI-UHFFFAOYSA-N 0 0 432.514 4.986 50 0 IJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000033312585 557332542 /nfs/dbraw/zinc/33/25/42/557332542.db2.gz ANUAHQNXPMHBBV-UHFFFAOYSA-N 0 0 434.487 4.939 50 0 IJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836694 557336221 /nfs/dbraw/zinc/33/62/21/557336221.db2.gz NMUNQGBYYGLITP-MRXNPFEDSA-N 0 0 430.788 4.716 50 0 IJAARN CC(=O)Nc1cccc(O[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000836599 557336256 /nfs/dbraw/zinc/33/62/56/557336256.db2.gz CADABTFMNRRMQO-DOJUMQAQSA-N 0 0 427.715 4.550 50 0 IJAARN O=S(=O)(NC[C@@H](c1c[nH]c2ccccc12)c1cccnc1)c1ccc2c(c1)CCCC2 ZINC000044153852 557339733 /nfs/dbraw/zinc/33/97/33/557339733.db2.gz XOSHEPMNPGLCFE-HSZRJFAPSA-N 0 0 431.561 4.552 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)N[C@H](C)CCc3ccccc3)C(=O)C2)cc1 ZINC000102529651 557340687 /nfs/dbraw/zinc/34/06/87/557340687.db2.gz MIJOGDCQSNEJFU-OAQYLSRUSA-N 0 0 439.559 4.990 50 0 IJAARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1ccccc1OC ZINC000023330127 557340909 /nfs/dbraw/zinc/34/09/09/557340909.db2.gz LZURPCZYDZRMMM-UHFFFAOYSA-N 0 0 428.554 4.941 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(OC)c3)C(=O)C2)cc1 ZINC000102530714 557342780 /nfs/dbraw/zinc/34/27/80/557342780.db2.gz MNMRAECJLKWSRW-UHFFFAOYSA-N 0 0 427.504 4.754 50 0 IJAARN CCc1ccc(C2=Nc3ccccc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)cc1 ZINC000102530927 557343080 /nfs/dbraw/zinc/34/30/80/557343080.db2.gz ONBSMWLQQPGUTD-UHFFFAOYSA-N 0 0 439.559 4.856 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)c1 ZINC000014609268 557345192 /nfs/dbraw/zinc/34/51/92/557345192.db2.gz AIDZGZOLTCJJGZ-UHFFFAOYSA-N 0 0 444.560 4.920 50 0 IJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000014663650 557347393 /nfs/dbraw/zinc/34/73/93/557347393.db2.gz XHMZQULKDGCYIH-UHFFFAOYSA-N 0 0 429.369 4.621 50 0 IJAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N(C)CCc3ccccn3)cc2)n1 ZINC000023334246 557347957 /nfs/dbraw/zinc/34/79/57/557347957.db2.gz OFYSUDKFSCVWOJ-UHFFFAOYSA-N 0 0 448.567 4.662 50 0 IJAARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCC(c2nc(-c3ccccc3F)no2)CC1 ZINC000023336400 557348751 /nfs/dbraw/zinc/34/87/51/557348751.db2.gz DQXOSQPGDRXIDK-UHFFFAOYSA-N 0 0 441.331 4.591 50 0 IJAARN CCCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(OC)cc2)cc1 ZINC000023426575 557353693 /nfs/dbraw/zinc/35/36/93/557353693.db2.gz AOHRAJPRQCYTDA-UHFFFAOYSA-N 0 0 435.524 4.597 50 0 IJAARN COc1cc2c(cc1OC)CN(c1cc(C(=O)N[C@H](C)C(C)(C)C)c3ccccc3n1)CC2 ZINC000023436884 557354182 /nfs/dbraw/zinc/35/41/82/557354182.db2.gz UCSQXFBZXFNYKO-QGZVFWFLSA-N 0 0 447.579 4.979 50 0 IJAARN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2nc1SCc1ccccc1F ZINC000023430886 557355376 /nfs/dbraw/zinc/35/53/76/557355376.db2.gz RFWVUIAMBRTXBN-UHFFFAOYSA-N 0 0 433.574 4.833 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)c2c1Cc1ccccc1-2 ZINC000023439195 557357451 /nfs/dbraw/zinc/35/74/51/557357451.db2.gz ATASWGYJEUAFCM-QGZVFWFLSA-N 0 0 429.520 4.635 50 0 IJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000023440943 557357928 /nfs/dbraw/zinc/35/79/28/557357928.db2.gz XXCWGXDNZRTJAF-VWLOTQADSA-N 0 0 433.504 4.509 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)nc2)cc1 ZINC000023443167 557358471 /nfs/dbraw/zinc/35/84/71/557358471.db2.gz ODSYQESQALUREY-QHCPKHFHSA-N 0 0 438.911 4.549 50 0 IJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2c(F)cccc2F)cc1 ZINC000023447379 557359128 /nfs/dbraw/zinc/35/91/28/557359128.db2.gz VWEBNGPBQFJQFS-DEOSSOPVSA-N 0 0 439.458 4.779 50 0 IJAARN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NC2Cc3ccccc3C2)cc1 ZINC000023458397 557359795 /nfs/dbraw/zinc/35/97/95/557359795.db2.gz GBYFICMMEMCARE-UHFFFAOYSA-N 0 0 435.527 4.748 50 0 IJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCCc4cccs4)c3)n2)o1 ZINC000023459570 557360038 /nfs/dbraw/zinc/36/00/38/557360038.db2.gz HXWBHTPCLLEUOR-UHFFFAOYSA-N 0 0 449.580 4.853 50 0 IJAARN O=C(c1ccccc1F)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023459621 557360128 /nfs/dbraw/zinc/36/01/28/557360128.db2.gz YIHVLARRSRSMKB-UHFFFAOYSA-N 0 0 426.495 4.788 50 0 IJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000220790272 557366527 /nfs/dbraw/zinc/36/65/27/557366527.db2.gz KOCRFNWGNNQWNU-GOSISDBHSA-N 0 0 427.508 4.530 50 0 IJAARN COc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 ZINC000023709765 557372057 /nfs/dbraw/zinc/37/20/57/557372057.db2.gz FCEDULRYRMHHFB-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@H]1c2c(O)n(-c3ccc(C)cc3)c(O)c2ON1c1ccccc1 ZINC000102740917 557375959 /nfs/dbraw/zinc/37/59/59/557375959.db2.gz IMAMIZIOEHBMBJ-DSNGMDLFSA-N 0 0 437.499 4.836 50 0 IJAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)CC)N2[C@H]1c1ccccc1Cl ZINC000102744613 557377472 /nfs/dbraw/zinc/37/74/72/557377472.db2.gz VUANJWJGXBJZPA-RBZFPXEDSA-N 0 0 447.988 4.783 50 0 IJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(OC)c3OC)C2)cc1 ZINC000102738883 557380089 /nfs/dbraw/zinc/38/00/89/557380089.db2.gz GKMTWSNGBRALMJ-QKKBWIMNSA-N 0 0 448.479 4.724 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000102739956 557380482 /nfs/dbraw/zinc/38/04/82/557380482.db2.gz SMQPALBQOAGWGP-TZRRMPRUSA-N 0 0 428.488 4.527 50 0 IJAARN CCOc1cccc2cc(C(=O)Nc3nnc(-c4ccc(Br)s4)o3)oc21 ZINC000011695487 557393150 /nfs/dbraw/zinc/39/31/50/557393150.db2.gz OBBJTYASLUSLFJ-UHFFFAOYSA-N 0 0 434.271 4.958 50 0 IJAARN Cc1cc(=O)c(C(=O)O[C@@H](C)c2ccc(F)cc2F)nn1-c1ccccc1C(F)(F)F ZINC000060922479 557396335 /nfs/dbraw/zinc/39/63/35/557396335.db2.gz JKJQBPQAFFKHKL-LBPRGKRZSA-N 0 0 438.352 4.756 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc(F)c4)n3C)n2)cc1 ZINC000013956258 557398322 /nfs/dbraw/zinc/39/83/22/557398322.db2.gz UIGZJMLXONVSGE-UHFFFAOYSA-N 0 0 439.541 4.784 50 0 IJAARN O[C@@H](COc1ccccc1)Cn1c2ccccc2s/c1=N\c1nc2ccccc2s1 ZINC000103550978 557438979 /nfs/dbraw/zinc/43/89/79/557438979.db2.gz AMORRMAYMDZECG-IEQXMEILSA-N 0 0 433.558 4.985 50 0 IJAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)c2cc(Cl)ccc2O1 ZINC000103719583 557440765 /nfs/dbraw/zinc/44/07/65/557440765.db2.gz UXYWMWCRIZHMHD-PFRQMTDMSA-N 0 0 448.007 4.700 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000103766928 557441468 /nfs/dbraw/zinc/44/14/68/557441468.db2.gz JQNILVBIZXLKQX-FWZORKSUSA-N 0 0 440.499 4.829 50 0 IJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1cccc(Br)c1 ZINC000046913659 557513365 /nfs/dbraw/zinc/51/33/65/557513365.db2.gz OVLLDLLDGZPUDU-UHFFFAOYSA-N 0 0 436.313 4.683 50 0 IJAARN O=S(=O)(c1cccc(Br)c1)N(Cc1cccs1)Cc1cccs1 ZINC000020001065 557514174 /nfs/dbraw/zinc/51/41/74/557514174.db2.gz NYFAVNZBVQKJGE-UHFFFAOYSA-N 0 0 428.398 4.963 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)N[C@H](C)CCc3ccccc3)C2)cc1 ZINC000106389763 557528456 /nfs/dbraw/zinc/52/84/56/557528456.db2.gz LYRHOWUIIYQDRL-GGAORHGYSA-N 0 0 444.579 4.931 50 0 IJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023396452 557528736 /nfs/dbraw/zinc/52/87/36/557528736.db2.gz UAZJPTUHIIMETD-UHFFFAOYSA-N 0 0 442.484 4.763 50 0 IJAARN CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1cnc2c3cccnc3sc2c1=O ZINC000045895649 557546454 /nfs/dbraw/zinc/54/64/54/557546454.db2.gz YDAXXFNFJGNYMW-AWEZNQCLSA-N 0 0 432.427 4.615 50 0 IJAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(Br)c4)n3n2)cc1 ZINC000045972074 557555768 /nfs/dbraw/zinc/55/57/68/557555768.db2.gz GXEKGZWNLCTRLE-UHFFFAOYSA-N 0 0 441.354 4.702 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc4sncc4c3)cc2)cc1 ZINC000225656134 557757668 /nfs/dbraw/zinc/75/76/68/557757668.db2.gz KVHDCIFZDJSBTN-UHFFFAOYSA-N 0 0 446.532 4.998 50 0 IJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000226241798 557805953 /nfs/dbraw/zinc/80/59/53/557805953.db2.gz IVTPVLVQXKGBMG-DVECYGJZSA-N 0 0 433.414 4.637 50 0 IJAARN O=C(Oc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000226407679 557806703 /nfs/dbraw/zinc/80/67/03/557806703.db2.gz OLVTUVGURROYJI-ZTCOLXNVSA-N 0 0 425.484 4.979 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000226830351 557809605 /nfs/dbraw/zinc/80/96/05/557809605.db2.gz YPXKOARMYJJBTQ-ISJGIBHGSA-N 0 0 437.499 4.836 50 0 IJAARN CN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)C1CCCCCC1 ZINC000024988071 557829329 /nfs/dbraw/zinc/82/93/29/557829329.db2.gz DLTSQMAJAWQQQY-UHFFFAOYSA-N 0 0 434.989 4.960 50 0 IJAARN C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229496588 557832543 /nfs/dbraw/zinc/83/25/43/557832543.db2.gz VGPNLODJAXQSKT-LMOYCYGVSA-N 0 0 438.391 4.921 50 0 IJAARN CCN(C(=O)NCc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000229582491 557832817 /nfs/dbraw/zinc/83/28/17/557832817.db2.gz HAIXMYNCVYUPOC-UFYCRDLUSA-N 0 0 427.564 4.728 50 0 IJAARN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3N2)cc1 ZINC000000866107 557839504 /nfs/dbraw/zinc/83/95/04/557839504.db2.gz XKZBOHYKZZVXLD-BEFAXECRSA-N 0 0 446.429 4.818 50 0 IJAARN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 ZINC000241862569 557847001 /nfs/dbraw/zinc/84/70/01/557847001.db2.gz SREJVGJTNDXEFG-MRXNPFEDSA-N 0 0 447.388 4.630 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)cc1 ZINC000000873190 557848011 /nfs/dbraw/zinc/84/80/11/557848011.db2.gz LTFGCMSGUUAIDZ-UHFFFAOYSA-N 0 0 436.459 4.723 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(F)cc4F)c3n2)c1 ZINC000000883786 557854527 /nfs/dbraw/zinc/85/45/27/557854527.db2.gz CGMLVAFLZZCGBP-UHFFFAOYSA-N 0 0 448.351 4.954 50 0 IJAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(-c3ccccc3)[nH]n2)cs1 ZINC000018748711 557855772 /nfs/dbraw/zinc/85/57/72/557855772.db2.gz OFGDBEPNTXXWKR-UHFFFAOYSA-N 0 0 448.504 4.583 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1)OC1CCCCC1 ZINC000000886574 557855784 /nfs/dbraw/zinc/85/57/84/557855784.db2.gz SRHAHRLCEPIHRR-UHFFFAOYSA-N 0 0 437.521 4.957 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCC(C)CC3)n2)cc1 ZINC000000890639 557859143 /nfs/dbraw/zinc/85/91/43/557859143.db2.gz GPCFSEOQPMDJLQ-UHFFFAOYSA-N 0 0 425.476 4.522 50 0 IJAARN Brc1cc(Br)c2c(c1)C=C1CCCCC[C@]1(N1CCOCC1)O2 ZINC000019831104 560094215 /nfs/dbraw/zinc/09/42/15/560094215.db2.gz FTHMZHFJXZDJCX-SFHVURJKSA-N 0 0 443.179 4.980 50 0 biogenic,in-vitro IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003130454 562932518 /nfs/dbraw/zinc/93/25/18/562932518.db2.gz FCWNHTBGFOOASZ-OAHLLOKOSA-N 0 0 446.787 4.904 50 0 IJAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(F)(F)F ZINC000001075749 562920302 /nfs/dbraw/zinc/92/03/02/562920302.db2.gz SPRRXHSRYFFKFG-CVEARBPZSA-N 0 0 444.881 4.700 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2)c1ccccc1 ZINC000001083728 562920377 /nfs/dbraw/zinc/92/03/77/562920377.db2.gz UQSDLPHLFWUCRT-UHFFFAOYSA-N 0 0 438.277 4.704 50 0 IJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000001189042 562920811 /nfs/dbraw/zinc/92/08/11/562920811.db2.gz UEBMXMMHNIKHMW-UHFFFAOYSA-N 0 0 444.350 4.814 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OC4CCCCC4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000001420860 562921804 /nfs/dbraw/zinc/92/18/04/562921804.db2.gz DSMBQMULATTZDV-HNNXBMFYSA-N 0 0 441.524 4.751 50 0 IJAARN O=C(c1cccc(F)c1F)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001436583 562921945 /nfs/dbraw/zinc/92/19/45/562921945.db2.gz ZDULKAHHRQEWKJ-DEOSSOPVSA-N 0 0 432.426 4.963 50 0 biogenic IJAARN CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc21 ZINC000001454519 562922086 /nfs/dbraw/zinc/92/20/86/562922086.db2.gz NCNXKHROOPHKLM-FQEVSTJZSA-N 0 0 444.556 4.775 50 0 IJAARN COc1cc2oc(=O)c3c(c2cc1OCC(=O)c1c(C)n(C)c2ccccc21)CCCC3 ZINC000002444210 562927763 /nfs/dbraw/zinc/92/77/63/562927763.db2.gz HECCHMARTBGYDO-UHFFFAOYSA-N 0 0 431.488 4.742 50 0 IJAARN C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000002653402 562929418 /nfs/dbraw/zinc/92/94/18/562929418.db2.gz MHZIWMVRYRQHPV-LBPRGKRZSA-N 0 0 434.279 4.778 50 0 IJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1 ZINC000002974012 562931341 /nfs/dbraw/zinc/93/13/41/562931341.db2.gz FWCSRWDRSKPJPL-UHFFFAOYSA-N 0 0 447.560 4.687 50 0 IJAARN Cc1cc2nnc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)n2c2ccccc12 ZINC000003209915 562932799 /nfs/dbraw/zinc/93/27/99/562932799.db2.gz RIWDNPWRWRQCDB-FQEVSTJZSA-N 0 0 448.523 4.644 50 0 IJAARN Clc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2C[C@H]2CCCO2)cc1 ZINC000003306893 562933990 /nfs/dbraw/zinc/93/39/90/562933990.db2.gz AQSUSRHPYCLQJL-MRXNPFEDSA-N 0 0 431.974 4.779 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000004101697 562941918 /nfs/dbraw/zinc/94/19/18/562941918.db2.gz ANPZRIIPBPENIC-QFIPXVFZSA-N 0 0 439.899 4.528 50 0 IJAARN COc1cc(CN(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)cc(OC)c1OC ZINC000008586707 562950129 /nfs/dbraw/zinc/95/01/29/562950129.db2.gz VYCBQIAUGIBUHQ-UHFFFAOYSA-N 0 0 436.508 4.742 50 0 IJAARN CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(OC)cc2)cc1 ZINC000008590267 562951528 /nfs/dbraw/zinc/95/15/28/562951528.db2.gz IIFDPPLWYMXBTB-UHFFFAOYSA-N 0 0 432.549 4.530 50 0 IJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3cc(OC)cc(OC)c3)CC2)c1C ZINC000008592954 562952487 /nfs/dbraw/zinc/95/24/87/562952487.db2.gz QBTCARPKEARKFW-UHFFFAOYSA-N 0 0 442.556 4.744 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccccc1Cl ZINC000008594806 562953124 /nfs/dbraw/zinc/95/31/24/562953124.db2.gz HOHKXBLPPGCBCJ-GOSISDBHSA-N 0 0 441.944 4.590 50 0 IJAARN COc1ccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccccc2F)cc1 ZINC000008595154 562953282 /nfs/dbraw/zinc/95/32/82/562953282.db2.gz OCLVKVAYOHSTQT-UHFFFAOYSA-N 0 0 426.451 4.695 50 0 IJAARN Cc1ccc(S(=O)(=O)c2cc3cc(C(=O)Nc4ccc(C)cc4C)ccc3oc2=O)cc1 ZINC000008598908 562954500 /nfs/dbraw/zinc/95/45/00/562954500.db2.gz CXUQXBLYJFZECN-UHFFFAOYSA-N 0 0 447.512 4.803 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000008599033 562954590 /nfs/dbraw/zinc/95/45/90/562954590.db2.gz MHKKQANWJIUVSM-UHFFFAOYSA-N 0 0 439.443 4.588 50 0 IJAARN CCc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000008603904 562956162 /nfs/dbraw/zinc/95/61/62/562956162.db2.gz LOJWJPLWKGTDJB-UHFFFAOYSA-N 0 0 439.483 4.723 50 0 IJAARN COc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)N3CCCCC3)c1C2 ZINC000008603948 562956243 /nfs/dbraw/zinc/95/62/43/562956243.db2.gz KNHJCIXTQXYQIK-UHFFFAOYSA-N 0 0 447.560 4.953 50 0 IJAARN COC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)cc1 ZINC000008604524 562956379 /nfs/dbraw/zinc/95/63/79/562956379.db2.gz OLLMVMFBEQBOTE-JOCHJYFZSA-N 0 0 446.528 4.682 50 0 IJAARN CCN(CC)c1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)cc1 ZINC000008607202 562957271 /nfs/dbraw/zinc/95/72/71/562957271.db2.gz ODOWSLCYQNRROY-UHFFFAOYSA-N 0 0 441.575 4.974 50 0 aggregator IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)Nc3cccc(Cl)c3C)C2)s1 ZINC000008610555 562958269 /nfs/dbraw/zinc/95/82/69/562958269.db2.gz RACXKRBFEYUWHS-INIZCTEOSA-N 0 0 429.977 4.763 50 0 IJAARN CCc1ccc(NC(=O)Cn2ncc3c(C)n(Cc4cccc(Cl)c4)c(C)c3c2=O)cc1 ZINC000008611310 562958504 /nfs/dbraw/zinc/95/85/04/562958504.db2.gz SFEXSZJNCAZXSL-UHFFFAOYSA-N 0 0 448.954 4.718 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000008611398 562958546 /nfs/dbraw/zinc/95/85/46/562958546.db2.gz QSTFOGRWWUWCGT-UHFFFAOYSA-N 0 0 441.535 4.875 50 0 IJAARN CCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1ccc(F)c(Cl)c1 ZINC000008611386 562958587 /nfs/dbraw/zinc/95/85/87/562958587.db2.gz ZJYNOZFPSRHBKF-UHFFFAOYSA-N 0 0 438.933 4.891 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(Cl)cc4C)ccc32)cc1 ZINC000008613975 562959548 /nfs/dbraw/zinc/95/95/48/562959548.db2.gz NFAJJNRRONVSBG-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)cc1 ZINC000008614174 562959605 /nfs/dbraw/zinc/95/96/05/562959605.db2.gz ZHYLSAHJOHTLJU-UHFFFAOYSA-N 0 0 435.549 4.999 50 0 IJAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008673774 562961309 /nfs/dbraw/zinc/96/13/09/562961309.db2.gz FZJLGLQYAFELDU-UHFFFAOYSA-N 0 0 440.500 4.650 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 ZINC000008680901 562961614 /nfs/dbraw/zinc/96/16/14/562961614.db2.gz LIUBRVKLSBHUPW-FQEVSTJZSA-N 0 0 436.537 4.749 50 0 aggregator IJAARN Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008690961 562963282 /nfs/dbraw/zinc/96/32/82/562963282.db2.gz HUSWRZYJZGRIBF-UHFFFAOYSA-N 0 0 435.549 4.610 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1)N1CCOCC1 ZINC000008773036 562963971 /nfs/dbraw/zinc/96/39/71/562963971.db2.gz IRKIHPNDZGZDBJ-UHFFFAOYSA-N 0 0 436.726 4.972 50 0 IJAARN COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)OCc2ccco2)cc1 ZINC000008773077 562963993 /nfs/dbraw/zinc/96/39/93/562963993.db2.gz GNPAOUDKHFILJJ-IWIPYMOSSA-N 0 0 449.503 4.837 50 0 IJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)NCc2ccc(C)cc2)c1 ZINC000008860255 562965342 /nfs/dbraw/zinc/96/53/42/562965342.db2.gz QYMOHSCHIOSSJM-UHFFFAOYSA-N 0 0 443.572 4.946 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1Cl ZINC000009673227 562975264 /nfs/dbraw/zinc/97/52/64/562975264.db2.gz LRVHMAQBWLHIEU-WOJBJXKFSA-N 0 0 426.925 4.959 50 0 IJAARN CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000010252624 562978628 /nfs/dbraw/zinc/97/86/28/562978628.db2.gz RNIOVGFEVKWJMY-UHFFFAOYSA-N 0 0 441.361 4.702 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)cc1 ZINC000015986936 563020570 /nfs/dbraw/zinc/02/05/70/563020570.db2.gz YRAFXAMCQLQPET-UHFFFAOYSA-N 0 0 447.560 4.807 50 0 aggregator IJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000016047957 563020828 /nfs/dbraw/zinc/02/08/28/563020828.db2.gz HVYGLELWYRCDHJ-UHFFFAOYSA-N 0 0 440.908 4.951 50 0 IJAARN CC(C)COC[C@@H](O)CN(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984742 568623514 /nfs/dbraw/zinc/62/35/14/568623514.db2.gz MKQYXGGKXOWWQA-FCHUYYIVSA-N 0 0 448.966 4.508 50 0 IJAARN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000018992442 568631192 /nfs/dbraw/zinc/63/11/92/568631192.db2.gz CQZIXCZVUDGKAX-MRXNPFEDSA-N 0 0 447.299 4.517 50 0 IJAARN CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1)c1ccccc1 ZINC000019008981 568632062 /nfs/dbraw/zinc/63/20/62/568632062.db2.gz KDQMLMWDJIDQLL-UHFFFAOYSA-N 0 0 428.941 4.832 50 0 IJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(C)cc2)cc1OC ZINC000248142649 568633963 /nfs/dbraw/zinc/63/39/63/568633963.db2.gz FYZNTHQMTMCFGA-RLWLMLJZSA-N 0 0 428.488 4.765 50 0 IJAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000899028 568635389 /nfs/dbraw/zinc/63/53/89/568635389.db2.gz IAIZMZFQWYPZKS-UHFFFAOYSA-N 0 0 445.976 4.611 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n(-c2ccccn2)n1 ZINC000025146182 568641096 /nfs/dbraw/zinc/64/10/96/568641096.db2.gz VCYCCIKFYDRQCP-UHFFFAOYSA-N 0 0 448.429 4.642 50 0 IJAARN COc1cccc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1OC ZINC000025145823 568641122 /nfs/dbraw/zinc/64/11/22/568641122.db2.gz BKEAFRJAJAPKMK-UHFFFAOYSA-N 0 0 442.471 4.578 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(F)ccc3F)c2)n(-c2ccccn2)n1 ZINC000025146935 568641185 /nfs/dbraw/zinc/64/11/85/568641185.db2.gz FJXFIABBQJQKIQ-UHFFFAOYSA-N 0 0 448.429 4.642 50 0 IJAARN CC1=Nc2ncnn2[C@H](c2ccc(OCc3ccccc3Cl)cc2)C1C(=O)OC(C)C ZINC000000940425 568641661 /nfs/dbraw/zinc/64/16/61/568641661.db2.gz TUMBFMTVDLRVCK-OAQYLSRUSA-N 0 0 438.915 4.751 50 0 IJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000000952923 568645106 /nfs/dbraw/zinc/64/51/06/568645106.db2.gz CFYSITYZEFXMBZ-UHFFFAOYSA-N 0 0 425.506 4.790 50 0 IJAARN O=C(Nc1ccccc1F)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000959954 568646421 /nfs/dbraw/zinc/64/64/21/568646421.db2.gz IJUXJTKYFZGFRL-UHFFFAOYSA-N 0 0 449.869 4.509 50 0 IJAARN Cc1cccc(OCc2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)c1 ZINC000000976873 568648043 /nfs/dbraw/zinc/64/80/43/568648043.db2.gz XXCLYZUQOADAIU-UHFFFAOYSA-N 0 0 444.560 4.563 50 0 IJAARN COc1ccc(CNC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000025226063 568648585 /nfs/dbraw/zinc/64/85/85/568648585.db2.gz GLIFHJIVLJSEAP-UHFFFAOYSA-N 0 0 426.520 4.606 50 0 IJAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000000996059 568649339 /nfs/dbraw/zinc/64/93/39/568649339.db2.gz VAABPBLFLBNMLM-UHFFFAOYSA-N 0 0 445.386 4.704 50 0 IJAARN COc1cccc2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)c(=O)oc21 ZINC000001059928 568655221 /nfs/dbraw/zinc/65/52/21/568655221.db2.gz VJGVRMHVRLKKJA-UHFFFAOYSA-N 0 0 425.444 4.677 50 0 IJAARN CCOc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)cc1 ZINC000015127633 568663938 /nfs/dbraw/zinc/66/39/38/568663938.db2.gz SJZZIERXTIQPHI-UHFFFAOYSA-N 0 0 436.581 4.627 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]12 ZINC000001195755 568736674 /nfs/dbraw/zinc/73/66/74/568736674.db2.gz UJHZRTNOKDYPQU-ZOVQAKDCSA-N 0 0 441.914 4.788 50 0 IJAARN O=C1C(=O)N(OCc2ccc(Cl)cc2)[C@H]2CCCC[C@@H]2N1OCc1ccc(Cl)cc1 ZINC000001813349 568741239 /nfs/dbraw/zinc/74/12/39/568741239.db2.gz HLDVEGQHXFBFIU-PMACEKPBSA-N 0 0 449.334 4.539 50 0 IJAARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000002057830 568742580 /nfs/dbraw/zinc/74/25/80/568742580.db2.gz DXNQFRZZTTWUBB-LJQANCHMSA-N 0 0 435.307 4.586 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000043990867 568745144 /nfs/dbraw/zinc/74/51/44/568745144.db2.gz ZBBSUTJCUOLDNN-UHFFFAOYSA-N 0 0 441.915 4.769 50 0 IJAARN CCN(c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1)C(C)C ZINC000003338648 568746564 /nfs/dbraw/zinc/74/65/64/568746564.db2.gz FXWCFKUJNNHOKY-UHFFFAOYSA-N 0 0 426.542 4.711 50 0 IJAARN COc1cccc(-c2nc(O)c(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)s2)c1 ZINC000003431529 568749099 /nfs/dbraw/zinc/74/90/99/568749099.db2.gz AKLGVRJCXKTGQS-OAHLLOKOSA-N 0 0 442.846 4.785 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)NCc2ccc(C(C)C)cc2)c1C ZINC000044168640 568749146 /nfs/dbraw/zinc/74/91/46/568749146.db2.gz AZKQPFAILVEMTQ-UHFFFAOYSA-N 0 0 443.551 4.960 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000003619543 568751607 /nfs/dbraw/zinc/75/16/07/568751607.db2.gz NCWJGHAYPINRTE-UQQQWYQISA-N 0 0 441.506 4.745 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3ccccc3[S@](C)=O)ccc2OC(F)F)cc1 ZINC000057892389 568752432 /nfs/dbraw/zinc/75/24/32/568752432.db2.gz IYIBPFFETAIWFD-SSEXGKCCSA-N 0 0 431.460 4.953 50 0 IJAARN O=C(c1ccccc1)N1CC[C@H]2[C@H](CCCN2C(=O)[C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000299802422 568758166 /nfs/dbraw/zinc/75/81/66/568758166.db2.gz ZRYNILSOCBHGFJ-PBXXJUDPSA-N 0 0 441.575 4.741 50 0 IJAARN CCOC(=O)[C@@H]1C[C@@]2(CC[C@@H]3[C@H]4CC=C5C=C(OC)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O ZINC000004026686 568758666 /nfs/dbraw/zinc/75/86/66/568758666.db2.gz ISJDXRXJTVVHGY-JSKBBJROSA-N 0 0 428.569 4.954 50 0 biogenic IJAARN CCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cc2c([nH]1)c(OC)ccc2OC ZINC000263588006 568760773 /nfs/dbraw/zinc/76/07/73/568760773.db2.gz NWDIRJROXYWUGE-IBGZPJMESA-N 0 0 433.508 4.873 50 0 IJAARN COc1c(Cl)cc(C(=O)Nc2c(=O)n(-c3ccccc3)n(C)c2C(C)C)cc1Cl ZINC000078254009 568760819 /nfs/dbraw/zinc/76/08/19/568760819.db2.gz HFAAIIWYCYRECD-UHFFFAOYSA-N 0 0 434.323 4.867 50 0 IJAARN CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(Br)s1 ZINC000012651001 568774152 /nfs/dbraw/zinc/77/41/52/568774152.db2.gz JSEYMRARQKUUQE-UHFFFAOYSA-N 0 0 436.419 4.962 50 0 IJAARN CCOC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 ZINC000001302126 568778997 /nfs/dbraw/zinc/77/89/97/568778997.db2.gz RAKONFIEYOWGRQ-SANMLTNESA-N 0 0 448.588 4.838 50 0 IJAARN Cc1ccc(SCCNC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1C ZINC000025753856 568779263 /nfs/dbraw/zinc/77/92/63/568779263.db2.gz JHLRLFRVQITWPE-UHFFFAOYSA-N 0 0 447.029 4.847 50 0 IJAARN Cc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1Cl ZINC000001321064 568779961 /nfs/dbraw/zinc/77/99/61/568779961.db2.gz PTQORLAYHXLECK-CYBMUJFWSA-N 0 0 444.988 4.605 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032104067 568781101 /nfs/dbraw/zinc/78/11/01/568781101.db2.gz LYZBNGSPGLUSMG-NRFANRHFSA-N 0 0 432.351 4.727 50 0 IJAARN COC(=O)c1ccccc1SC[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000001394097 568785532 /nfs/dbraw/zinc/78/55/32/568785532.db2.gz LUWGBYIMLBXUNS-GMAHTHKFSA-N 0 0 433.529 4.978 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cnn(-c3ccccc3)c2)cc1 ZINC000083952380 568786624 /nfs/dbraw/zinc/78/66/24/568786624.db2.gz KHYQSRUDFKQKQM-UHFFFAOYSA-N 0 0 440.528 4.872 50 0 IJAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)n1C)c1ccc(F)cc1 ZINC000025894138 568787851 /nfs/dbraw/zinc/78/78/51/568787851.db2.gz OULRTHJBNFRNBP-KGLIPLIRSA-N 0 0 448.951 4.545 50 0 IJAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)c1ccccc1 ZINC000001117497 568788094 /nfs/dbraw/zinc/78/80/94/568788094.db2.gz BHPSWXGYXDLLSQ-OAQYLSRUSA-N 0 0 447.874 4.959 50 0 IJAARN CCn1cc(-c2csc(NC(=O)c3cccc(OC(F)(F)C(F)F)c3)n2)c(C)n1 ZINC000002799643 568789310 /nfs/dbraw/zinc/78/93/10/568789310.db2.gz URCKEPXLHCRUGP-UHFFFAOYSA-N 0 0 428.411 4.824 50 0 IJAARN CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccccc1F)C(=O)Cc1ccccc1 ZINC000001419972 568791683 /nfs/dbraw/zinc/79/16/83/568791683.db2.gz QQLRNKZSFWETRB-UHFFFAOYSA-N 0 0 448.494 4.543 50 0 IJAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc2ccccc2oc1=O ZINC000084594794 568799026 /nfs/dbraw/zinc/79/90/26/568799026.db2.gz CEVLYHZOWMIHNU-UHFFFAOYSA-N 0 0 441.270 4.562 50 0 IJAARN CC(C)OCc1ccccc1CNC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000084633106 568799342 /nfs/dbraw/zinc/79/93/42/568799342.db2.gz HGBFHGOEXVKMCQ-RUZDIDTESA-N 0 0 448.611 4.996 50 0 IJAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000015640847 568800595 /nfs/dbraw/zinc/80/05/95/568800595.db2.gz NKMSLGLWNXYCDI-UHFFFAOYSA-N 0 0 433.415 4.574 50 0 IJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015641698 568800736 /nfs/dbraw/zinc/80/07/36/568800736.db2.gz YIZPESLLCRRIDO-UHFFFAOYSA-N 0 0 442.306 4.860 50 0 IJAARN CC(C)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCCC1)N(c1cccc(F)c1)C2=O ZINC000015676562 568804086 /nfs/dbraw/zinc/80/40/86/568804086.db2.gz ULDSFRMHCUOPDD-RUZDIDTESA-N 0 0 440.563 4.794 50 0 IJAARN Cc1ccccc1N1C(=O)c2cc(C(C)C)nn2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015676588 568804159 /nfs/dbraw/zinc/80/41/59/568804159.db2.gz WIBDCTOZAYJPSP-SANMLTNESA-N 0 0 436.600 4.963 50 0 IJAARN Cc1ccc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000015676229 568804184 /nfs/dbraw/zinc/80/41/84/568804184.db2.gz BBSJPYRWDRKUPH-AREMUKBSSA-N 0 0 436.600 4.665 50 0 IJAARN Cc1ccc2c(c1)N(CCC(=O)NCc1ccc(OC(C)C)cc1)C(=O)c1cccnc1O2 ZINC000015680017 568805905 /nfs/dbraw/zinc/80/59/05/568805905.db2.gz KKFLNEKSDBRKCX-UHFFFAOYSA-N 0 0 445.519 4.636 50 0 IJAARN CSc1ccc(CCNC(=O)CCCN2c3ccccc3Oc3ncccc3C2=O)cc1 ZINC000015680038 568805922 /nfs/dbraw/zinc/80/59/22/568805922.db2.gz UZMOPBRVPCFEHM-UHFFFAOYSA-N 0 0 447.560 4.695 50 0 IJAARN COc1ccc(OC)c(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000015721528 568812134 /nfs/dbraw/zinc/81/21/34/568812134.db2.gz JIZYKKJEPIHCNO-QHCPKHFHSA-N 0 0 430.504 4.738 50 0 IJAARN CC(C)C(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000085421127 568819345 /nfs/dbraw/zinc/81/93/45/568819345.db2.gz KCRNNIAYSNZGDS-UHFFFAOYSA-N 0 0 441.471 4.620 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(Cl)c1 ZINC000011905609 568819425 /nfs/dbraw/zinc/81/94/25/568819425.db2.gz CJBUSGVRGWONRB-UHFFFAOYSA-N 0 0 427.957 4.670 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CCCCCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000006073780 568821142 /nfs/dbraw/zinc/82/11/42/568821142.db2.gz KWZGBLPMMSSEPJ-UHFFFAOYSA-N 0 0 438.528 4.521 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C ZINC000006083117 568821918 /nfs/dbraw/zinc/82/19/18/568821918.db2.gz IFOVNTDNKJQRCZ-JOCHJYFZSA-N 0 0 428.598 4.719 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3-c3ccccc3)n2)cc1 ZINC000014135693 568828659 /nfs/dbraw/zinc/82/86/59/568828659.db2.gz NXTSSFQOJFYTSG-UHFFFAOYSA-N 0 0 431.477 4.878 50 0 IJAARN COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)ccc1C)C(=O)c1ccccc1S2 ZINC000015784964 568829809 /nfs/dbraw/zinc/82/98/09/568829809.db2.gz ANWXCZRRKBXFCV-UHFFFAOYSA-N 0 0 446.528 4.840 50 0 IJAARN CCN(C(=O)CN1c2cc(C(=O)OC)ccc2Sc2ccccc2C1=O)c1ccccc1 ZINC000015784946 568829821 /nfs/dbraw/zinc/82/98/21/568829821.db2.gz VNVQHVPFQLWGKM-UHFFFAOYSA-N 0 0 446.528 4.638 50 0 IJAARN COc1cc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(OC)c1OC ZINC000085651519 568831447 /nfs/dbraw/zinc/83/14/47/568831447.db2.gz NZEJWPXZGCNKND-UHFFFAOYSA-N 0 0 447.413 4.749 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(OC)cc2)C(=O)c2ccc(F)cc2)c1C ZINC000085711273 568835036 /nfs/dbraw/zinc/83/50/36/568835036.db2.gz IVPSUMWGCKRMRM-UHFFFAOYSA-N 0 0 438.499 4.799 50 0 IJAARN CCCC(=O)Oc1c2cc(CC)c(OC)cc2oc(=O)c1-c1ccc(C(=O)OCC)o1 ZINC000001508608 568835502 /nfs/dbraw/zinc/83/55/02/568835502.db2.gz WRGNFCVAHOYJLY-UHFFFAOYSA-N 0 0 428.437 4.506 50 0 biogenic IJAARN Cc1ccccc1C(=O)Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1 ZINC000015787078 568836502 /nfs/dbraw/zinc/83/65/02/568836502.db2.gz ATRUXCDKPUQCMW-UHFFFAOYSA-N 0 0 442.953 4.886 50 0 IJAARN N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000019757256 568836795 /nfs/dbraw/zinc/83/67/95/568836795.db2.gz DPSUUQSPWPRETJ-IBGZPJMESA-N 0 0 442.346 4.717 50 0 IJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015787106 568836809 /nfs/dbraw/zinc/83/68/09/568836809.db2.gz WUHPZUFHYIMJIC-UHFFFAOYSA-N 0 0 429.568 4.739 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000015827931 568841053 /nfs/dbraw/zinc/84/10/53/568841053.db2.gz GCBJTORQLWNCIE-UHFFFAOYSA-N 0 0 439.516 4.649 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(OC)cc2)C(=O)CC2CCCC2)c1C ZINC000015862518 568848891 /nfs/dbraw/zinc/84/88/91/568848891.db2.gz SBPUZOBUYKWQKU-UHFFFAOYSA-N 0 0 426.557 4.926 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(CN(C(=O)Cc2ccc(OC)cc2)C2CCCCC2)c1C ZINC000015862485 568848908 /nfs/dbraw/zinc/84/89/08/568848908.db2.gz QGDXQVGAHOVVSD-UHFFFAOYSA-N 0 0 426.557 4.721 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)c(C)c1 ZINC000015863263 568849114 /nfs/dbraw/zinc/84/91/14/568849114.db2.gz FVLMXVCKMBSKNW-UHFFFAOYSA-N 0 0 445.567 4.654 50 0 IJAARN CCc1ccc2[nH]c(CSc3nnc(COc4ccccc4Cl)n3C)cc(=O)c2c1 ZINC000015865353 568850112 /nfs/dbraw/zinc/85/01/12/568850112.db2.gz ZLRVUDFIXVBRNF-UHFFFAOYSA-N 0 0 440.956 4.744 50 0 IJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000015868362 568851247 /nfs/dbraw/zinc/85/12/47/568851247.db2.gz FMMYGXJUSCWHKG-UHFFFAOYSA-N 0 0 430.888 4.810 50 0 IJAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2s1 ZINC000015870321 568851712 /nfs/dbraw/zinc/85/17/12/568851712.db2.gz JSIKQBCXLCGSRB-UHFFFAOYSA-N 0 0 429.567 4.570 50 0 IJAARN CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026121796 568852483 /nfs/dbraw/zinc/85/24/83/568852483.db2.gz TYCUOTIDUVKQCC-UHFFFAOYSA-N 0 0 434.584 4.967 50 0 IJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCCc1ccccc1 ZINC000015880685 568854285 /nfs/dbraw/zinc/85/42/85/568854285.db2.gz ZPOVOJXNIGRBPW-UHFFFAOYSA-N 0 0 428.945 4.732 50 0 IJAARN COc1cn(CC(=O)Nc2ccc(C)cc2)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015883906 568858147 /nfs/dbraw/zinc/85/81/47/568858147.db2.gz QJKQRGCEKJQEBJ-UHFFFAOYSA-N 0 0 428.941 4.750 50 0 IJAARN COC[C@@H](C)N(C(=O)CSc1nc2ccccc2[nH]1)c1c(C)cccc1[C@@H](C)OC ZINC000575442891 568867866 /nfs/dbraw/zinc/86/78/66/568867866.db2.gz GAPMTSWUMXOZBC-IAGOWNOFSA-N 0 0 427.570 4.739 50 0 IJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)c12 ZINC000016042594 568868199 /nfs/dbraw/zinc/86/81/99/568868199.db2.gz GXAKHDYSYMYRGR-MRXNPFEDSA-N 0 0 449.569 4.606 50 0 IJAARN C[C@@H]1Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2NC1=O ZINC000012946554 568871295 /nfs/dbraw/zinc/87/12/95/568871295.db2.gz RCVVWPHRJXNADH-NSHDSACASA-N 0 0 447.438 4.730 50 0 IJAARN Cc1cc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)c(Cl)cc1Cl ZINC000575610492 568879000 /nfs/dbraw/zinc/87/90/00/568879000.db2.gz OAWQALQZUAWRKZ-AWEZNQCLSA-N 0 0 432.350 4.635 50 0 IJAARN Cc1cc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)c(Cl)cc1Cl ZINC000575610493 568879010 /nfs/dbraw/zinc/87/90/10/568879010.db2.gz OAWQALQZUAWRKZ-CQSZACIVSA-N 0 0 432.350 4.635 50 0 IJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 ZINC000575612071 568879314 /nfs/dbraw/zinc/87/93/14/568879314.db2.gz IYUIKPXNLJPBQN-LBPRGKRZSA-N 0 0 446.132 4.621 50 0 IJAARN COc1ccc(S(=O)(=O)n2c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000006296851 568882298 /nfs/dbraw/zinc/88/22/98/568882298.db2.gz IETGSTNJIFMYSG-UHFFFAOYSA-N 0 0 428.510 4.713 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)cc1 ZINC000250516892 568882558 /nfs/dbraw/zinc/88/25/58/568882558.db2.gz NVQUGJJCXPPGGW-GCKMJXCFSA-N 0 0 432.561 4.743 50 0 IJAARN Cc1cc2nc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(C(F)(F)F)nc2cc1C ZINC000035478479 568882823 /nfs/dbraw/zinc/88/28/23/568882823.db2.gz JPPFICRCWNBRTJ-UHFFFAOYSA-N 0 0 448.876 4.881 50 0 IJAARN COC(=O)c1sccc1NC=C1C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 ZINC000102921649 568890578 /nfs/dbraw/zinc/89/05/78/568890578.db2.gz FVIVQPCSEHWHBQ-CPNJWEJPSA-N 0 0 432.501 4.792 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2nccn2C)CC1 ZINC000090608191 568890978 /nfs/dbraw/zinc/89/09/78/568890978.db2.gz UUHPSNKVJLQROC-UHFFFAOYSA-N 0 0 430.961 4.681 50 0 IJAARN COc1ccc(SCC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000090608282 568891026 /nfs/dbraw/zinc/89/10/26/568891026.db2.gz WOYFDZQYQBEYPK-UHFFFAOYSA-N 0 0 425.594 4.774 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O ZINC000090610240 568892171 /nfs/dbraw/zinc/89/21/71/568892171.db2.gz IHPBIGYDUOQYGW-UHFFFAOYSA-N 0 0 449.557 4.541 50 0 IJAARN COc1cc2nc(C(Cl)=Cc3ccc(F)c(Br)c3)[nH]c(=O)c2cc1OC ZINC000016385287 568893698 /nfs/dbraw/zinc/89/36/98/568893698.db2.gz MSPNFISBCWKWNR-SDQBBNPISA-N 0 0 439.668 4.579 50 0 IJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nc2ccccc2c(-c2ccccc2)n1 ZINC000013001844 568898254 /nfs/dbraw/zinc/89/82/54/568898254.db2.gz WIOMRTBQGXGAOR-SFHVURJKSA-N 0 0 431.561 4.893 50 0 IJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nc2ccccc2c(-c2ccccc2)n1 ZINC000013001842 568898292 /nfs/dbraw/zinc/89/82/92/568898292.db2.gz WIOMRTBQGXGAOR-GOSISDBHSA-N 0 0 431.561 4.893 50 0 IJAARN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000013008478 568899461 /nfs/dbraw/zinc/89/94/61/568899461.db2.gz QWPJAHYWAOKPJY-SBNSQYLKSA-N 0 0 430.539 4.538 50 0 IJAARN C[C@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000013019944 568902034 /nfs/dbraw/zinc/90/20/34/568902034.db2.gz FZLOZYCSXNJQKL-BTVKBFDZSA-N 0 0 447.604 4.846 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1CCC1=CCCCC1 ZINC000013028889 568903611 /nfs/dbraw/zinc/90/36/11/568903611.db2.gz RGJZJXBMCIOGPP-HHHXNRCGSA-N 0 0 445.563 4.572 50 0 IJAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OC)cc32)cc1 ZINC000001775447 568906547 /nfs/dbraw/zinc/90/65/47/568906547.db2.gz VRLHSTSJHJOQLY-UHFFFAOYSA-N 0 0 436.464 4.509 50 0 biogenic IJAARN CC(C)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001784902 568907423 /nfs/dbraw/zinc/90/74/23/568907423.db2.gz WQYRILYPPSQZMM-HNNXBMFYSA-N 0 0 438.597 4.766 50 0 IJAARN CCCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784725 568907428 /nfs/dbraw/zinc/90/74/28/568907428.db2.gz VXMPIKVBOIMHQI-MRXNPFEDSA-N 0 0 441.553 4.540 50 0 IJAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(OC)c3)cc21 ZINC000001788994 568907880 /nfs/dbraw/zinc/90/78/80/568907880.db2.gz SLKILTNEHFLVPL-UHFFFAOYSA-N 0 0 449.297 4.895 50 0 biogenic IJAARN CCc1ccc(NC(=O)N[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)[C@H](C)CC)cc1 ZINC000035724493 568908268 /nfs/dbraw/zinc/90/82/68/568908268.db2.gz VLLLMVUOWGLMGF-DNVCBOLYSA-N 0 0 437.569 4.942 50 0 IJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000053517403 568908561 /nfs/dbraw/zinc/90/85/61/568908561.db2.gz USIQUBDFTCIKRJ-VWLOTQADSA-N 0 0 440.547 4.655 50 0 IJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000137612621 568909085 /nfs/dbraw/zinc/90/90/85/568909085.db2.gz KRQORUMZGUNJPE-RJGXRXQPSA-N 0 0 432.907 4.954 50 0 IJAARN CC(C)(C)CC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000025578429 568909777 /nfs/dbraw/zinc/90/97/77/568909777.db2.gz ZHJUQUBSJPMEFR-GFCCVEGCSA-N 0 0 431.216 4.875 50 0 IJAARN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000239339064 568911159 /nfs/dbraw/zinc/91/11/59/568911159.db2.gz LQIDFRGDSINPPB-UMFSSWHCSA-N 0 0 428.488 4.527 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000245310404 568914588 /nfs/dbraw/zinc/91/45/88/568914588.db2.gz IXPCHQBOAOQVFT-WXFUMESZSA-N 0 0 446.478 4.666 50 0 IJAARN CCOc1cc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)ccc1OC(F)F ZINC000105556352 568918235 /nfs/dbraw/zinc/91/82/35/568918235.db2.gz QFRYYZAEDBDUAD-OQLLNIDSSA-N 0 0 438.883 4.598 50 0 IJAARN CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1cccc(F)c1 ZINC000016497731 568920363 /nfs/dbraw/zinc/92/03/63/568920363.db2.gz RXGPTBYRDANNFK-UHFFFAOYSA-N 0 0 445.487 4.783 50 0 IJAARN CC(C)Oc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)COc3ccccc3)cc2)n1 ZINC000035793722 568923100 /nfs/dbraw/zinc/92/31/00/568923100.db2.gz CQLBGJPMCWWCMH-UHFFFAOYSA-N 0 0 446.482 4.878 50 0 IJAARN CN(C(=O)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1)C1CCCCC1 ZINC000001954058 568923796 /nfs/dbraw/zinc/92/37/96/568923796.db2.gz CSLLIGVMJVGPIT-UHFFFAOYSA-N 0 0 443.975 4.655 50 0 IJAARN COc1ccc(OC)c(CNc2c3c(nc4nc(-c5ccc(C)cc5)nn42)CCCC3)c1 ZINC000064449911 568928363 /nfs/dbraw/zinc/92/83/63/568928363.db2.gz VYCXGWGXPILXNZ-UHFFFAOYSA-N 0 0 429.524 4.608 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000064452498 568929444 /nfs/dbraw/zinc/92/94/44/568929444.db2.gz QDLWTJCACXAINM-LJQANCHMSA-N 0 0 436.943 4.764 50 0 IJAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(N(C)C)cc3)c2cc1OC ZINC000064474105 568930259 /nfs/dbraw/zinc/93/02/59/568930259.db2.gz UBWVKSCBJZDGDT-UHFFFAOYSA-N 0 0 448.567 4.934 50 0 IJAARN CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000064558043 568931906 /nfs/dbraw/zinc/93/19/06/568931906.db2.gz WWRAPDUDLBSOMA-QHCPKHFHSA-N 0 0 447.556 4.884 50 0 IJAARN CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558164 568932007 /nfs/dbraw/zinc/93/20/07/568932007.db2.gz WKFIDHBOYWWNBW-JOCHJYFZSA-N 0 0 433.529 4.889 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000064558309 568932130 /nfs/dbraw/zinc/93/21/30/568932130.db2.gz RACYOPBDLSYZED-QFIPXVFZSA-N 0 0 433.529 4.630 50 0 IJAARN Cn1nc(COCc2cccc(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000064565885 568932658 /nfs/dbraw/zinc/93/26/58/568932658.db2.gz QQGJPVBLUDFVSR-UHFFFAOYSA-N 0 0 428.895 4.520 50 0 IJAARN COc1cccc2c(Nc3ccc(F)cc3Cl)cc(C(=O)N3CCSCC3)nc12 ZINC000064568501 568933664 /nfs/dbraw/zinc/93/36/64/568933664.db2.gz QGAGAAQYXBKFAQ-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000064605367 568939600 /nfs/dbraw/zinc/93/96/00/568939600.db2.gz DCVDEXXDYASWKI-IBGZPJMESA-N 0 0 446.551 4.630 50 0 IJAARN CC(C)Oc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656655 568942145 /nfs/dbraw/zinc/94/21/45/568942145.db2.gz JUYRRUPUPDCQRG-SFHVURJKSA-N 0 0 427.547 4.842 50 0 IJAARN COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)c1 ZINC000064660310 568942504 /nfs/dbraw/zinc/94/25/04/568942504.db2.gz YXYCLMNVBVNGHO-UHFFFAOYSA-N 0 0 428.579 4.689 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000064667948 568942878 /nfs/dbraw/zinc/94/28/78/568942878.db2.gz IHBLHALPECSXEN-KRWDZBQOSA-N 0 0 439.625 4.974 50 0 IJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)o1 ZINC000064668144 568943178 /nfs/dbraw/zinc/94/31/78/568943178.db2.gz LGSHTQZINGKCPX-UHFFFAOYSA-N 0 0 445.541 4.643 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3nc4cc(C)c(C)cc4nc3C(=O)OC(C)C)CC2)c1 ZINC000064690573 568944207 /nfs/dbraw/zinc/94/42/07/568944207.db2.gz JPGFLWPKNCTRLI-UHFFFAOYSA-N 0 0 432.568 4.755 50 0 IJAARN CC(C)CCn1c(SCC(=O)Nc2ccccc2)nc2c3cccnc3sc2c1=O ZINC000064699932 568944396 /nfs/dbraw/zinc/94/43/96/568944396.db2.gz BXGFADWPIRUKBX-UHFFFAOYSA-N 0 0 438.578 4.783 50 0 IJAARN CCNC(=O)c1coc(CN(Cc2ccc(OC)cc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065337 568945094 /nfs/dbraw/zinc/94/50/94/568945094.db2.gz ABPNLYODBDBTHO-UHFFFAOYSA-N 0 0 447.457 4.654 50 0 IJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccoc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036065477 568945313 /nfs/dbraw/zinc/94/53/13/568945313.db2.gz BYKCMNRLJWMWGE-UHFFFAOYSA-N 0 0 435.446 4.875 50 0 IJAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)NCCc2ccccn2)co1)Cc1ccc(Cl)cc1 ZINC000036069046 568945543 /nfs/dbraw/zinc/94/55/43/568945543.db2.gz MVRASVVJYLJCOD-GOSISDBHSA-N 0 0 440.975 4.742 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073432 568945925 /nfs/dbraw/zinc/94/59/25/568945925.db2.gz BRQRNYMJLMENBN-NRFANRHFSA-N 0 0 433.552 4.527 50 0 IJAARN COCCNC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2Cl)n1 ZINC000036082934 568946775 /nfs/dbraw/zinc/94/67/75/568946775.db2.gz CXKQNMLEHDAWCH-UHFFFAOYSA-N 0 0 448.350 4.560 50 0 IJAARN CCOC(=O)C1=C(COc2ccccc2Cl)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000036083664 568947371 /nfs/dbraw/zinc/94/73/71/568947371.db2.gz GYKQIIZNJYVYLO-HXUWFJFHSA-N 0 0 449.334 4.976 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1F ZINC000064746942 568950250 /nfs/dbraw/zinc/95/02/50/568950250.db2.gz RGBFCMJXCYDEIO-UHFFFAOYSA-N 0 0 444.491 4.759 50 0 IJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)n2)cc1 ZINC000064747791 568950353 /nfs/dbraw/zinc/95/03/53/568950353.db2.gz JOBIZCXENDGAQF-UHFFFAOYSA-N 0 0 431.517 4.854 50 0 IJAARN CC(C)(C)NC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@@H]1CCCO1 ZINC000006687561 568950573 /nfs/dbraw/zinc/95/05/73/568950573.db2.gz XNQNDNXALGHXLJ-IBGZPJMESA-N 0 0 426.586 4.594 50 0 IJAARN Cc1nc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2n1CCC(=O)Nc1ccccc1 ZINC000064748059 568950681 /nfs/dbraw/zinc/95/06/81/568950681.db2.gz DYVUIUCRNRAZNN-UHFFFAOYSA-N 0 0 446.938 4.957 50 0 IJAARN CCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036094170 568951055 /nfs/dbraw/zinc/95/10/55/568951055.db2.gz SWQZIXYDDIYKNB-UHFFFAOYSA-N 0 0 444.466 4.657 50 0 IJAARN CCc1csc(-c2ccc(S(=O)(=O)Nc3ccccc3Br)s2)n1 ZINC000064769345 568953239 /nfs/dbraw/zinc/95/32/39/568953239.db2.gz ABKLRWWKWROQTC-UHFFFAOYSA-N 0 0 429.386 4.997 50 0 IJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccc(OC)c1 ZINC000036114116 568955101 /nfs/dbraw/zinc/95/51/01/568955101.db2.gz RTFGUFMGKIABDP-UHFFFAOYSA-N 0 0 440.565 4.636 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C(C)C)cc1 ZINC000036115378 568955235 /nfs/dbraw/zinc/95/52/35/568955235.db2.gz JLHIWKBKYKQPQT-UHFFFAOYSA-N 0 0 446.594 4.638 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)C(C)C ZINC000036115830 568955570 /nfs/dbraw/zinc/95/55/70/568955570.db2.gz OXHKZCCPNQNZHL-FQEVSTJZSA-N 0 0 449.016 4.801 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)C1CC1 ZINC000036118806 568956088 /nfs/dbraw/zinc/95/60/88/568956088.db2.gz TVNYXAUMXPSWSG-NRFANRHFSA-N 0 0 440.609 4.518 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(C)(C)C ZINC000036118869 568956111 /nfs/dbraw/zinc/95/61/11/568956111.db2.gz AANOQNSAFOFSIW-HXUWFJFHSA-N 0 0 442.625 4.907 50 0 IJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c(=O)n23)c1 ZINC000064787936 568956259 /nfs/dbraw/zinc/95/62/59/568956259.db2.gz WYYSOCLHGBTAGZ-UHFFFAOYSA-N 0 0 425.897 4.646 50 0 IJAARN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C(=O)c1ccccc1 ZINC000036119570 568956811 /nfs/dbraw/zinc/95/68/11/568956811.db2.gz BPBAOXKSUXIHCG-QHCPKHFHSA-N 0 0 448.588 4.805 50 0 IJAARN CCC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036121764 568957968 /nfs/dbraw/zinc/95/79/68/568957968.db2.gz WCASHHHAOYNQDW-NRFANRHFSA-N 0 0 446.588 4.677 50 0 IJAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1 ZINC000064800307 568961243 /nfs/dbraw/zinc/96/12/43/568961243.db2.gz PYLGNSWQDNTTCW-UHFFFAOYSA-N 0 0 434.519 4.639 50 0 IJAARN Cc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000036152407 568963584 /nfs/dbraw/zinc/96/35/84/568963584.db2.gz GPBSYOGKZSDCQR-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN CCn1nc(C)c2nc(SCc3cccc(OC)c3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817171 568964313 /nfs/dbraw/zinc/96/43/13/568964313.db2.gz UEHWUBMKLQHEGJ-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN(C)c1ccccc1 ZINC000064820246 568967061 /nfs/dbraw/zinc/96/70/61/568967061.db2.gz PZYOHXZHAULGDM-UHFFFAOYSA-N 0 0 434.359 4.730 50 0 IJAARN O=C([O-])c1ccc(N2CCC(CC[NH+]3CCCCC3)CC2)c(NC(=O)c2cccs2)c1 ZINC000064820582 568967285 /nfs/dbraw/zinc/96/72/85/568967285.db2.gz IGWFSLFABRPKNE-UHFFFAOYSA-N 0 0 441.597 4.791 50 0 IJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)CC(C)C ZINC000036161254 568967340 /nfs/dbraw/zinc/96/73/40/568967340.db2.gz LBFBKSQRLWFZFS-UHFFFAOYSA-N 0 0 427.589 4.989 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)Nc3ccccc3)C2=O)c1 ZINC000036161905 568967811 /nfs/dbraw/zinc/96/78/11/568967811.db2.gz BTDJDJXQNJFFLW-RUZDIDTESA-N 0 0 445.544 4.676 50 0 IJAARN O=C(C1CCCC1)N1CCS[C@@]12C(=O)N(Cc1ccccc1F)c1ccc(Cl)cc12 ZINC000036165492 568968277 /nfs/dbraw/zinc/96/82/77/568968277.db2.gz YMSAROLKGNNXJL-QHCPKHFHSA-N 0 0 444.959 4.944 50 0 IJAARN CC(C)CC(=O)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccc(F)cc1)C2=O ZINC000036165512 568968392 /nfs/dbraw/zinc/96/83/92/568968392.db2.gz UJFHRVOGFOJVIL-QFIPXVFZSA-N 0 0 432.948 4.800 50 0 IJAARN CCCC(O)(CCC)c1ccc(CN(CCN2CCOCC2)Cc2ccc(F)cc2)o1 ZINC000036167726 568968458 /nfs/dbraw/zinc/96/84/58/568968458.db2.gz WGYUTKGMFZHLJX-UHFFFAOYSA-N 0 0 432.580 4.541 50 0 IJAARN Cc1ccc(NC(=O)N(C)CCc2noc(COc3cc(C)ccc3Cl)n2)c(C)c1 ZINC000064840555 568969863 /nfs/dbraw/zinc/96/98/63/568969863.db2.gz XIQLSEIWDFNSNH-UHFFFAOYSA-N 0 0 428.920 4.934 50 0 IJAARN CN(CCc1noc(-c2ccccc2Cl)n1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000064841318 568969938 /nfs/dbraw/zinc/96/99/38/568969938.db2.gz LIEICBJZWZVUNQ-UHFFFAOYSA-N 0 0 433.961 4.551 50 0 IJAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848115 568971486 /nfs/dbraw/zinc/97/14/86/568971486.db2.gz DBFRPZAMZXMBHE-UHFFFAOYSA-N 0 0 449.910 4.514 50 0 biogenic IJAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1 ZINC000064844370 568971728 /nfs/dbraw/zinc/97/17/28/568971728.db2.gz HLKIRWYTQNLAFF-IBGZPJMESA-N 0 0 430.552 4.554 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(C(=O)c1ccc2c(c1)OCO2)C1CC1 ZINC000036208217 568973232 /nfs/dbraw/zinc/97/32/32/568973232.db2.gz CNALSZGPECLYNG-UHFFFAOYSA-N 0 0 433.508 4.721 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1 ZINC000064873389 568978280 /nfs/dbraw/zinc/97/82/80/568978280.db2.gz FXSUWQKZTBSQKO-UHFFFAOYSA-N 0 0 443.478 4.765 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064873030 568978287 /nfs/dbraw/zinc/97/82/87/568978287.db2.gz KSIJRMIWPNXTSN-UHFFFAOYSA-N 0 0 432.543 4.939 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1C ZINC000064873417 568978443 /nfs/dbraw/zinc/97/84/43/568978443.db2.gz XPJRJHHQQLWGGO-UHFFFAOYSA-N 0 0 443.478 4.820 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064872456 568978447 /nfs/dbraw/zinc/97/84/47/568978447.db2.gz HIUYSLWPTDDJQR-UHFFFAOYSA-N 0 0 448.542 4.604 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NC4CCCCCCC4)ccc32)cc1 ZINC000006767054 568978927 /nfs/dbraw/zinc/97/89/27/568978927.db2.gz VARLFEWJVSGJHS-UHFFFAOYSA-N 0 0 426.582 4.589 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1C ZINC000064888076 568979417 /nfs/dbraw/zinc/97/94/17/568979417.db2.gz CUQFFAJNRBNRGD-UHFFFAOYSA-N 0 0 437.540 4.746 50 0 IJAARN COc1cc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000036246342 568981708 /nfs/dbraw/zinc/98/17/08/568981708.db2.gz UCEQFIGRSPGWTC-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN COc1cccc([C@@H](C)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246911 568982034 /nfs/dbraw/zinc/98/20/34/568982034.db2.gz GUZFENOFJXBREP-MRXNPFEDSA-N 0 0 445.512 4.808 50 0 IJAARN COc1cc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 ZINC000036248326 568982605 /nfs/dbraw/zinc/98/26/05/568982605.db2.gz DURMBDRAXORFAH-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCOC)C(=O)c1cccc(F)c1 ZINC000036248965 568983016 /nfs/dbraw/zinc/98/30/16/568983016.db2.gz ORUCMUFMWPKGFI-UHFFFAOYSA-N 0 0 443.494 4.755 50 0 IJAARN COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000036248836 568983048 /nfs/dbraw/zinc/98/30/48/568983048.db2.gz PKWOQDIEWYPXPP-UHFFFAOYSA-N 0 0 435.904 4.892 50 0 IJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCOC)C(=O)c1ccccc1 ZINC000036248961 568983060 /nfs/dbraw/zinc/98/30/60/568983060.db2.gz DKDBCSGQHFKYRL-UHFFFAOYSA-N 0 0 425.504 4.616 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)C1CCCC1 ZINC000036249210 568983233 /nfs/dbraw/zinc/98/32/33/568983233.db2.gz FGPRFLBDEBXMDH-QGZVFWFLSA-N 0 0 429.536 4.635 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000064929002 568987317 /nfs/dbraw/zinc/98/73/17/568987317.db2.gz WWZTYUZWQGJQRJ-OAQYLSRUSA-N 0 0 432.593 4.707 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929104 568987518 /nfs/dbraw/zinc/98/75/18/568987518.db2.gz GXLHEHGHSWNPAS-KNQAVFIVSA-N 0 0 432.543 4.637 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)s1 ZINC000064930222 568987979 /nfs/dbraw/zinc/98/79/79/568987979.db2.gz WFRQGXDIZAYHJW-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929364 568988161 /nfs/dbraw/zinc/98/81/61/568988161.db2.gz PHNJVTALTCZZGE-UHFFFAOYSA-N 0 0 436.899 4.580 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930739 568989254 /nfs/dbraw/zinc/98/92/54/568989254.db2.gz XQWPSLQHSQBDHD-INIZCTEOSA-N 0 0 445.907 4.952 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064930856 568989290 /nfs/dbraw/zinc/98/92/90/568989290.db2.gz DCFSAXFNPVAHOE-QGZVFWFLSA-N 0 0 443.479 4.746 50 0 IJAARN O=C(CSc1ncnc2nc(N3CCCCCC3)sc21)Nc1ccccc1Cl ZINC000064944072 568993204 /nfs/dbraw/zinc/99/32/04/568993204.db2.gz WTAHVWNPIOKHEP-UHFFFAOYSA-N 0 0 433.990 4.851 50 0 IJAARN Cc1cc(NC(=O)CSc2ccc(NCc3ccccc3)nn2)ccc1Br ZINC000064944734 568993411 /nfs/dbraw/zinc/99/34/11/568993411.db2.gz GUWANSQSUQHHHN-UHFFFAOYSA-N 0 0 443.370 4.890 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1Cl ZINC000064949223 568994608 /nfs/dbraw/zinc/99/46/08/568994608.db2.gz MZEITXSQJSXUJO-UHFFFAOYSA-N 0 0 441.944 4.794 50 0 IJAARN O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312489 568997762 /nfs/dbraw/zinc/99/77/62/568997762.db2.gz PQEULXUJAHBDHB-QFIPXVFZSA-N 0 0 449.526 4.902 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(=O)c2ccccc2F)c1 ZINC000036314378 568998555 /nfs/dbraw/zinc/99/85/55/568998555.db2.gz VEDRTOMKXRBYMK-UHFFFAOYSA-N 0 0 449.526 4.678 50 0 IJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1cccs1 ZINC000036314290 568998899 /nfs/dbraw/zinc/99/88/99/568998899.db2.gz FLCVVJAJKCNHHP-UHFFFAOYSA-N 0 0 425.554 4.601 50 0 IJAARN CC[C@@H](C)N(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036314240 568998928 /nfs/dbraw/zinc/99/89/28/568998928.db2.gz LPCAQFWODYZOQC-HXUWFJFHSA-N 0 0 433.552 4.928 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000064969099 569076091 /nfs/dbraw/zinc/07/60/91/569076091.db2.gz MSYMDAVUKHJCPQ-UHFFFAOYSA-N 0 0 435.911 4.873 50 0 IJAARN Cc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccc(C)cc4C)c3=O)n2)cc1 ZINC000064971786 569076864 /nfs/dbraw/zinc/07/68/64/569076864.db2.gz DGKUJAKADXLNGG-UHFFFAOYSA-N 0 0 442.519 4.746 50 0 IJAARN CCOc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1 ZINC000064977415 569077066 /nfs/dbraw/zinc/07/70/66/569077066.db2.gz YZOXOBHSGFJINY-UHFFFAOYSA-N 0 0 444.466 4.713 50 0 IJAARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3ccsc3n2)cc1 ZINC000064976677 569077096 /nfs/dbraw/zinc/07/70/96/569077096.db2.gz DYIKDOGIXCPXAH-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1cccc(C(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3ccsc3n2)c1 ZINC000064976681 569077159 /nfs/dbraw/zinc/07/71/59/569077159.db2.gz KWDBONMEPLNQEX-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN3CCc4ccccc4C3)[C@H](c3ccccc3C)C2)c1 ZINC000036344961 569080473 /nfs/dbraw/zinc/08/04/73/569080473.db2.gz HPZYUZLSJIWYRT-MHZLTWQESA-N 0 0 439.559 4.740 50 0 IJAARN C[C@H](NC(=O)CC1CCN(C(=O)c2ccc3oc(C4CC4)nc3c2)CC1)c1ccccc1 ZINC000065005855 569087300 /nfs/dbraw/zinc/08/73/00/569087300.db2.gz HQLPKRIKJBQEQL-KRWDZBQOSA-N 0 0 431.536 4.825 50 0 IJAARN Cc1ccc(NC(=O)N2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1Cl ZINC000065007749 569087770 /nfs/dbraw/zinc/08/77/70/569087770.db2.gz QLAWMFFYSRMNCS-UHFFFAOYSA-N 0 0 425.895 4.599 50 0 IJAARN Cc1ccc(-c2ccc(Nc3ccc(F)cc3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009254 569087902 /nfs/dbraw/zinc/08/79/02/569087902.db2.gz IDPFDFIALBQIGY-UHFFFAOYSA-N 0 0 426.517 4.509 50 0 IJAARN CSc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023214 569089171 /nfs/dbraw/zinc/08/91/71/569089171.db2.gz HVSINVQMNOXCCK-LJQANCHMSA-N 0 0 436.556 4.537 50 0 IJAARN CSc1ccc(CNC(=O)[C@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023215 569089178 /nfs/dbraw/zinc/08/91/78/569089178.db2.gz HVSINVQMNOXCCK-IBGZPJMESA-N 0 0 436.556 4.537 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023218 569089213 /nfs/dbraw/zinc/08/92/13/569089213.db2.gz AKPPQRHARMVMEJ-LJQANCHMSA-N 0 0 438.934 4.511 50 0 IJAARN CCOc1c2cc(NC(=O)Nc3ccc4c(c3)OCCO4)ccc2sc1C(=O)OC ZINC000065022944 569089882 /nfs/dbraw/zinc/08/98/82/569089882.db2.gz YSDVHTHCIUTHAM-UHFFFAOYSA-N 0 0 428.466 4.502 50 0 IJAARN CCOc1ccc(-c2ccnc3c(C(=O)NCc4ccccc4C(F)(F)F)cnn32)cc1 ZINC000065026712 569089994 /nfs/dbraw/zinc/08/99/94/569089994.db2.gz DWCNRKKEZAOERE-UHFFFAOYSA-N 0 0 440.425 4.744 50 0 IJAARN Cc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCc3ccccc3)no2)cc1 ZINC000065027128 569090161 /nfs/dbraw/zinc/09/01/61/569090161.db2.gz NSPCTRXUXLHCES-UHFFFAOYSA-N 0 0 441.487 4.744 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)c(OC)c1 ZINC000065025590 569090779 /nfs/dbraw/zinc/09/07/79/569090779.db2.gz HGBQTFHSKIHMHJ-UHFFFAOYSA-N 0 0 446.551 4.835 50 0 IJAARN COc1ccc(Cl)cc1C(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000169754728 569093847 /nfs/dbraw/zinc/09/38/47/569093847.db2.gz XNAPDVWGDTVYDU-UHFFFAOYSA-N 0 0 429.879 4.633 50 0 IJAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000169756921 569093922 /nfs/dbraw/zinc/09/39/22/569093922.db2.gz KPXKUIWTOPVQQQ-UHFFFAOYSA-N 0 0 446.334 4.735 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1 ZINC000065057801 569095345 /nfs/dbraw/zinc/09/53/45/569095345.db2.gz XKBOOEFFSAOSFL-UHFFFAOYSA-N 0 0 441.487 4.883 50 0 biogenic IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1=O ZINC000065062777 569097338 /nfs/dbraw/zinc/09/73/38/569097338.db2.gz RWGWJEHRCCFIAF-IBGZPJMESA-N 0 0 445.563 4.573 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(OC)cc4)n3)s2)cc1 ZINC000065062907 569097340 /nfs/dbraw/zinc/09/73/40/569097340.db2.gz SVCSYHAQCACDBW-UHFFFAOYSA-N 0 0 435.505 4.802 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000065063422 569097978 /nfs/dbraw/zinc/09/79/78/569097978.db2.gz VSZQJRXQLQCKKC-KRWDZBQOSA-N 0 0 439.537 4.511 50 0 IJAARN COc1ccc(Nc2ccccc2C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000036392443 569098298 /nfs/dbraw/zinc/09/82/98/569098298.db2.gz NWDLZPLEPRGTIR-UHFFFAOYSA-N 0 0 429.520 4.604 50 0 IJAARN COc1ccc([C@H]2CCCN2CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC ZINC000036393757 569098605 /nfs/dbraw/zinc/09/86/05/569098605.db2.gz YAJBWTDBXLOXGX-PKOBYXMFSA-N 0 0 426.582 4.758 50 0 IJAARN Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000036395316 569098697 /nfs/dbraw/zinc/09/86/97/569098697.db2.gz RGVAMHLBNGYOEM-UHFFFAOYSA-N 0 0 444.000 4.950 50 0 IJAARN Cc1sc2ncnc(N3CCN(Cc4csc(-c5ccc(F)cc5)n4)CC3)c2c1C ZINC000036395049 569098714 /nfs/dbraw/zinc/09/87/14/569098714.db2.gz LDVXHIAWMFQDLO-UHFFFAOYSA-N 0 0 439.585 4.893 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(Cl)c2)cc1 ZINC000065074969 569099305 /nfs/dbraw/zinc/09/93/05/569099305.db2.gz DVEFSAASCFCKQU-VWLOTQADSA-N 0 0 434.923 4.627 50 0 IJAARN COc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(SC)cc2)cc1 ZINC000065074995 569099442 /nfs/dbraw/zinc/09/94/42/569099442.db2.gz HRLVDFZYYVZHTP-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000065075067 569099450 /nfs/dbraw/zinc/09/94/50/569099450.db2.gz BXKMTMCGMHAPNL-AREMUKBSSA-N 0 0 432.951 4.922 50 0 IJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2OC)c1 ZINC000065075152 569099485 /nfs/dbraw/zinc/09/94/85/569099485.db2.gz UGSKBYYILGHEPS-MHZLTWQESA-N 0 0 428.532 4.536 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(SC)c2)c1 ZINC000065075265 569099529 /nfs/dbraw/zinc/09/95/29/569099529.db2.gz LOKQLSRDJOYQJN-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)Cc3csc4nc(-c5ccccc5)cn34)CC2)c1 ZINC000065079207 569101082 /nfs/dbraw/zinc/10/10/82/569101082.db2.gz GFYUBMUWSOFOST-UHFFFAOYSA-N 0 0 430.577 4.571 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)sc12 ZINC000065081259 569101303 /nfs/dbraw/zinc/10/13/03/569101303.db2.gz ZFNHHFTZNDJABX-SFHVURJKSA-N 0 0 437.613 4.846 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc(C)c5C)CC4)nc3)n2)cc1 ZINC000065097838 569104016 /nfs/dbraw/zinc/10/40/16/569104016.db2.gz RMIOHHIGVZNCLO-UHFFFAOYSA-N 0 0 441.535 4.751 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1 ZINC000065097907 569104116 /nfs/dbraw/zinc/10/41/16/569104116.db2.gz BFACUSBAJDSXFO-UHFFFAOYSA-N 0 0 429.499 4.881 50 0 IJAARN CCc1nc(-c2cccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)c2)cs1 ZINC000065098196 569104736 /nfs/dbraw/zinc/10/47/36/569104736.db2.gz KUDFSLSIRNVTOU-UHFFFAOYSA-N 0 0 438.940 4.935 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(NCc3cccs3)c3ccccc32)cc1Cl ZINC000065101958 569106031 /nfs/dbraw/zinc/10/60/31/569106031.db2.gz WKRMXHAEAVWZMO-UHFFFAOYSA-N 0 0 438.940 4.671 50 0 IJAARN CC(=O)c1cccc(NC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)c1 ZINC000065102493 569106142 /nfs/dbraw/zinc/10/61/42/569106142.db2.gz BJXANKLTVGIFIS-UHFFFAOYSA-N 0 0 446.576 4.994 50 0 IJAARN Cc1noc([C@H]2CCCN(C(=O)c3ccccc3Oc3cccc(Br)c3)C2)n1 ZINC000065104028 569106198 /nfs/dbraw/zinc/10/61/98/569106198.db2.gz CCXLREYSWTXOMM-HNNXBMFYSA-N 0 0 442.313 4.953 50 0 IJAARN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000065107957 569106256 /nfs/dbraw/zinc/10/62/56/569106256.db2.gz HBXSHWUEHQBGEK-QGZVFWFLSA-N 0 0 428.305 4.826 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2nccnc2Oc2ccccc2C)C1 ZINC000065111248 569106310 /nfs/dbraw/zinc/10/63/10/569106310.db2.gz HDJIDHBDWVEITM-OAQYLSRUSA-N 0 0 446.551 4.509 50 0 IJAARN CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c1 ZINC000065115869 569106966 /nfs/dbraw/zinc/10/69/66/569106966.db2.gz GPCDFJRWILQECX-UHFFFAOYSA-N 0 0 437.880 4.510 50 0 IJAARN Cc1ccccc1-c1nc(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)no1 ZINC000065112246 569108037 /nfs/dbraw/zinc/10/80/37/569108037.db2.gz MSPZNWFQNPRETB-UHFFFAOYSA-N 0 0 425.554 4.737 50 0 IJAARN O=C(NC1CCCCC1)C1CCN(c2ncccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000065131040 569109320 /nfs/dbraw/zinc/10/93/20/569109320.db2.gz JGXQETZIQQTPQP-UHFFFAOYSA-N 0 0 449.530 4.603 50 0 IJAARN COc1ccc(OC)c(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000065133969 569110025 /nfs/dbraw/zinc/11/00/25/569110025.db2.gz DYLSNSMAORHABE-UHFFFAOYSA-N 0 0 447.413 4.506 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CC[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)c1C ZINC000065136800 569110309 /nfs/dbraw/zinc/11/03/09/569110309.db2.gz CYLAEIHMCVMAMB-QHCPKHFHSA-N 0 0 448.611 4.676 50 0 IJAARN COc1ccc(-c2ncc3c(n2)CCN(C(=O)Nc2cccc(Br)c2)C3)cc1 ZINC000065168843 569112639 /nfs/dbraw/zinc/11/26/39/569112639.db2.gz OGOJKOWMVQXHDV-UHFFFAOYSA-N 0 0 439.313 4.505 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)cc1 ZINC000065166040 569113064 /nfs/dbraw/zinc/11/30/64/569113064.db2.gz CKSVOSJHOYVVGM-GOSISDBHSA-N 0 0 435.568 4.915 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCCC1 ZINC000065179735 569113566 /nfs/dbraw/zinc/11/35/66/569113566.db2.gz VEGHVVACBRSVFM-UHFFFAOYSA-N 0 0 440.971 4.897 50 0 IJAARN CC(C)NC(=O)c1ccc(OCC2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000065180272 569113728 /nfs/dbraw/zinc/11/37/28/569113728.db2.gz SQDMUJHYBIFMSN-UHFFFAOYSA-N 0 0 432.923 4.549 50 0 IJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)cc1)N1CCCCC1 ZINC000065178490 569114382 /nfs/dbraw/zinc/11/43/82/569114382.db2.gz NPIAUAYEKFPOPI-GOSISDBHSA-N 0 0 442.506 4.522 50 0 IJAARN Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)Nc1ccc(F)c(F)c1 ZINC000065195034 569115295 /nfs/dbraw/zinc/11/52/95/569115295.db2.gz JCNMRNRDAZZGDY-UHFFFAOYSA-N 0 0 426.398 4.878 50 0 IJAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)Nc2ccc(OC)c(F)c2)cc1 ZINC000065210144 569116345 /nfs/dbraw/zinc/11/63/45/569116345.db2.gz KDWODQHNPILBRS-UHFFFAOYSA-N 0 0 435.455 4.690 50 0 IJAARN COc1ccc(NC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(F)cc2)cc1OC ZINC000065210155 569116363 /nfs/dbraw/zinc/11/63/63/569116363.db2.gz PUTFQSSMQVLGRQ-UHFFFAOYSA-N 0 0 435.455 4.690 50 0 IJAARN C[C@H](NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1)c1cccs1 ZINC000065209886 569116564 /nfs/dbraw/zinc/11/65/64/569116564.db2.gz NTPMKXWXLOOYDL-HNNXBMFYSA-N 0 0 445.548 4.687 50 0 IJAARN O=C(Nc1ccc2c(c1)CCC2)Nc1cccc(-c2nccnc2N2CCSCC2)c1 ZINC000065213056 569116926 /nfs/dbraw/zinc/11/69/26/569116926.db2.gz YQMOLLGWZOOTMM-UHFFFAOYSA-N 0 0 431.565 4.830 50 0 IJAARN Cc1oc(C2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)nc1C(=O)N1CCCCC1 ZINC000065232346 569118956 /nfs/dbraw/zinc/11/89/56/569118956.db2.gz RXULUWVXMYJTNF-UHFFFAOYSA-N 0 0 448.926 4.813 50 0 IJAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ncn(Cc2ccccc2C)n1 ZINC000036616896 569122876 /nfs/dbraw/zinc/12/28/76/569122876.db2.gz MBIZVKQJLQKMGV-UHFFFAOYSA-N 0 0 443.555 4.618 50 0 IJAARN CCN1c2ccc(NC(=O)COc3ccc(F)c(F)c3)cc2Sc2ncccc2C1=O ZINC000065258523 569124505 /nfs/dbraw/zinc/12/45/05/569124505.db2.gz MSEPIPYUIVMJDW-UHFFFAOYSA-N 0 0 441.459 4.509 50 0 IJAARN COc1ccccc1[C@@H]1c2cn(CC(C)C)c3cccc(c23)NC2=C1C(=O)N(C(C)=O)C2 ZINC000524730259 569125931 /nfs/dbraw/zinc/12/59/31/569125931.db2.gz BJRNNIYPTKTMOF-HSZRJFAPSA-N 0 0 429.520 4.506 50 0 biogenic IJAARN CCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000036628290 569126288 /nfs/dbraw/zinc/12/62/88/569126288.db2.gz BXHSXENKOKWVNU-UHFFFAOYSA-N 0 0 445.954 4.800 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CC[C@H](n3c4ncccc4nc3C3CCCC3)C2)cc1 ZINC000065271540 569128610 /nfs/dbraw/zinc/12/86/10/569128610.db2.gz SKCNOXPYNIIISS-FQEVSTJZSA-N 0 0 447.539 4.745 50 0 IJAARN CCNC(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1 ZINC000036660148 569130341 /nfs/dbraw/zinc/13/03/41/569130341.db2.gz SCWFTNHMQCUKCX-UHFFFAOYSA-N 0 0 431.323 4.549 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCc3ccccc3Cl)sc12 ZINC000065293976 569131179 /nfs/dbraw/zinc/13/11/79/569131179.db2.gz YYUOLXRKPGJXEO-UHFFFAOYSA-N 0 0 439.972 4.505 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N[C@@H](C)c3ccc(C)cc3)sc12 ZINC000065294016 569131185 /nfs/dbraw/zinc/13/11/85/569131185.db2.gz QWSAQMSTWMNXDZ-KRWDZBQOSA-N 0 0 433.581 4.721 50 0 IJAARN Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000065320698 569136188 /nfs/dbraw/zinc/13/61/88/569136188.db2.gz MMBPPIFBAITQGE-FQEVSTJZSA-N 0 0 425.554 4.868 50 0 IJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)n1 ZINC000065320768 569136258 /nfs/dbraw/zinc/13/62/58/569136258.db2.gz AXDCGJGDOFSLPS-NRFANRHFSA-N 0 0 425.554 4.769 50 0 IJAARN O=c1cc(-c2ccncc2)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)[nH]1 ZINC000065330945 569137117 /nfs/dbraw/zinc/13/71/17/569137117.db2.gz IHHRCHAGXLUGCE-UHFFFAOYSA-N 0 0 431.399 4.605 50 0 IJAARN CCc1cc2c(CSc3nnc(-c4ccccc4OC)n3CC)cc(=O)oc2cc1O ZINC000036819092 569138239 /nfs/dbraw/zinc/13/82/39/569138239.db2.gz YEYIXUJOFOWYBO-UHFFFAOYSA-N 0 0 437.521 4.640 50 0 IJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)N(C)Cc3ccco3)o2)cc1 ZINC000036874439 569138500 /nfs/dbraw/zinc/13/85/00/569138500.db2.gz VFQHNLOKRKTWFH-UHFFFAOYSA-N 0 0 430.460 4.725 50 0 IJAARN O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000065491376 569138702 /nfs/dbraw/zinc/13/87/02/569138702.db2.gz GBXLZKNMZYEMEQ-ZDUSSCGKSA-N 0 0 432.343 4.663 50 0 IJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000065512520 569139076 /nfs/dbraw/zinc/13/90/76/569139076.db2.gz GJPUVIKJDSUTGT-IBGZPJMESA-N 0 0 427.522 4.598 50 0 IJAARN O=S(=O)(Nc1ccc(C(F)(F)F)nc1Br)c1ccccc1C(F)(F)F ZINC000170597349 569142132 /nfs/dbraw/zinc/14/21/32/569142132.db2.gz FDPCSCKWICGDKU-UHFFFAOYSA-N 0 0 449.170 4.683 50 0 IJAARN O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000170607642 569144419 /nfs/dbraw/zinc/14/44/19/569144419.db2.gz KMGOHDMFTZAZMT-SFTDATJTSA-N 0 0 443.385 4.672 50 0 IJAARN CN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000170609728 569144747 /nfs/dbraw/zinc/14/47/47/569144747.db2.gz JTNSKHAINFCOIW-OALUTQOASA-N 0 0 431.323 4.516 50 0 IJAARN Cc1c(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cccc1C(F)(F)F ZINC000170610347 569144899 /nfs/dbraw/zinc/14/48/99/569144899.db2.gz XSEBKHOZVJDHSR-CALCHBBNSA-N 0 0 443.425 4.544 50 0 IJAARN CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000037276851 569145353 /nfs/dbraw/zinc/14/53/53/569145353.db2.gz OZDHGVWAIDASQA-NZQKXSOJSA-N 0 0 435.612 4.740 50 0 IJAARN CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)C2CCCC2)CC1 ZINC000037277425 569145476 /nfs/dbraw/zinc/14/54/76/569145476.db2.gz FERAKZQFQNRSPG-UHFFFAOYSA-N 0 0 433.596 4.624 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037280742 569146037 /nfs/dbraw/zinc/14/60/37/569146037.db2.gz BPVVKCKPUDUMJC-AZGAKELHSA-N 0 0 436.596 4.890 50 0 IJAARN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281122 569146056 /nfs/dbraw/zinc/14/60/56/569146056.db2.gz COWSRJMEHSCBIX-UIOOFZCWSA-N 0 0 448.607 4.953 50 0 IJAARN CCN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000037288644 569146107 /nfs/dbraw/zinc/14/61/07/569146107.db2.gz NHPCQIVXURPPCI-UHFFFAOYSA-N 0 0 433.596 4.880 50 0 IJAARN CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000170616756 569146688 /nfs/dbraw/zinc/14/66/88/569146688.db2.gz MPAJUUVDBCZPTE-OFNKIYASSA-N 0 0 447.986 4.543 50 0 IJAARN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccsc2)C[C@@H]1c1ccco1 ZINC000170618220 569147043 /nfs/dbraw/zinc/14/70/43/569147043.db2.gz GFBLNOVVBFKGMV-HSZRJFAPSA-N 0 0 433.577 4.974 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)c4ccco4)c(N)c32)cc1OCC ZINC000009910476 569150458 /nfs/dbraw/zinc/15/04/58/569150458.db2.gz FZFLHJXCGCGPFX-AWEZNQCLSA-N 0 0 440.521 4.816 50 0 IJAARN COc1ccc(CNc2nc(-c3ccc(C)cc3)nn2C(=O)COc2ccccc2)cc1 ZINC000010058932 569151919 /nfs/dbraw/zinc/15/19/19/569151919.db2.gz QQIIBFCPYWXNES-UHFFFAOYSA-N 0 0 428.492 4.593 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000010059120 569152088 /nfs/dbraw/zinc/15/20/88/569152088.db2.gz XJYAAILPFOWMBY-JOCHJYFZSA-N 0 0 430.342 4.673 50 0 IJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000010220613 569152913 /nfs/dbraw/zinc/15/29/13/569152913.db2.gz CCWNXKITTYQREM-UHFFFAOYSA-N 0 0 449.985 4.765 50 0 IJAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCC3)cc2)c2ccccc12 ZINC000010220643 569152918 /nfs/dbraw/zinc/15/29/18/569152918.db2.gz HNZRNMKHJHMUCV-UHFFFAOYSA-N 0 0 438.549 4.664 50 0 IJAARN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)c2)c1 ZINC000071819966 569154639 /nfs/dbraw/zinc/15/46/39/569154639.db2.gz IDBRPPWILKQCNE-JOCHJYFZSA-N 0 0 435.911 4.912 50 0 IJAARN COc1ccccc1Nc1ncccc1C(=O)Nc1ccc2nc(NC(C)=O)sc2c1 ZINC000071821249 569154695 /nfs/dbraw/zinc/15/46/95/569154695.db2.gz RMJQDDFNCGILQD-UHFFFAOYSA-N 0 0 433.493 4.654 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000013330591 569155157 /nfs/dbraw/zinc/15/51/57/569155157.db2.gz XJRGYRNGUGSVQO-UHFFFAOYSA-N 0 0 427.942 4.775 50 0 IJAARN O=C(COC(=O)c1ccncc1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000013930316 569157473 /nfs/dbraw/zinc/15/74/73/569157473.db2.gz BGUTUKRSDITNHZ-RUZDIDTESA-N 0 0 435.483 4.770 50 0 IJAARN COc1cc(CC(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)cc(OC)c1OC ZINC000014628745 569159550 /nfs/dbraw/zinc/15/95/50/569159550.db2.gz MGSIQXDODACLKR-SFHVURJKSA-N 0 0 439.577 4.976 50 0 IJAARN COc1cc(CC(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)cc(OC)c1OC ZINC000014628747 569159585 /nfs/dbraw/zinc/15/95/85/569159585.db2.gz MGSIQXDODACLKR-GOSISDBHSA-N 0 0 439.577 4.976 50 0 IJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)/C=C\c1ccccc1)C(Cl)(Cl)Cl ZINC000016790895 569162205 /nfs/dbraw/zinc/16/22/05/569162205.db2.gz FTCVQQMMURFEQH-WFTPILKQSA-N 0 0 442.799 4.807 50 0 IJAARN Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000016837920 569162740 /nfs/dbraw/zinc/16/27/40/569162740.db2.gz CAIWGOVLJQMLGY-UHFFFAOYSA-N 0 0 438.409 4.669 50 0 IJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000089780753 569162864 /nfs/dbraw/zinc/16/28/64/569162864.db2.gz NSISEUKNJIMMJY-UHFFFAOYSA-N 0 0 449.985 4.767 50 0 IJAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000016838882 569162869 /nfs/dbraw/zinc/16/28/69/569162869.db2.gz GWIOIELRBURKFI-UHFFFAOYSA-N 0 0 438.530 4.715 50 0 IJAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 ZINC000016843078 569163556 /nfs/dbraw/zinc/16/35/56/569163556.db2.gz JOICTQZANQZXJD-UHFFFAOYSA-N 0 0 444.487 4.945 50 0 IJAARN C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCCc1ccccc1 ZINC000016843870 569163687 /nfs/dbraw/zinc/16/36/87/569163687.db2.gz NCIFQIVQGPFNLA-CQSZACIVSA-N 0 0 431.355 4.944 50 0 IJAARN CCOc1ccccc1NC(=O)CCc1csc(NC(=O)Nc2ccc(OC)cc2)n1 ZINC000016849132 569164508 /nfs/dbraw/zinc/16/45/08/569164508.db2.gz MUTRWDVDYXKXJF-UHFFFAOYSA-N 0 0 440.525 4.766 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891048 569165552 /nfs/dbraw/zinc/16/55/52/569165552.db2.gz MDSPCNBGPIXHTP-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016973083 569168586 /nfs/dbraw/zinc/16/85/86/569168586.db2.gz RSYNSMRUZIASMG-UHFFFAOYSA-N 0 0 428.536 4.996 50 0 IJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037356049 569171276 /nfs/dbraw/zinc/17/12/76/569171276.db2.gz GLPIBYFKACLKTF-OAHLLOKOSA-N 0 0 443.334 4.927 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 ZINC000017041726 569171490 /nfs/dbraw/zinc/17/14/90/569171490.db2.gz RTJFESJEOJZYJX-UHFFFAOYSA-N 0 0 436.508 4.701 50 0 IJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4cccc(C(F)(F)F)c4)n3n2)cc1 ZINC000017051926 569171855 /nfs/dbraw/zinc/17/18/55/569171855.db2.gz XQSQYQHQKISUOY-UHFFFAOYSA-N 0 0 430.455 4.758 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 ZINC000017097032 569173171 /nfs/dbraw/zinc/17/31/71/569173171.db2.gz DCGDIESNJPWHSQ-QFIPXVFZSA-N 0 0 430.529 4.600 50 0 IJAARN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(I)cc1 ZINC000002870373 569177496 /nfs/dbraw/zinc/17/74/96/569177496.db2.gz KLAIGFBSFOJYSH-UHFFFAOYSA-N 0 0 449.716 4.747 50 0 IJAARN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C ZINC000002872225 569177597 /nfs/dbraw/zinc/17/75/97/569177597.db2.gz JZTCSPIWSRLPDH-UHFFFAOYSA-N 0 0 438.549 4.684 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002092189 569178992 /nfs/dbraw/zinc/17/89/92/569178992.db2.gz ZDWFPXSTIVKVCP-RPBOFIJWSA-N 0 0 441.575 4.770 50 0 biogenic IJAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5c(c4)OCCO5)c(C)c3cc2c1C ZINC000002095627 569179190 /nfs/dbraw/zinc/17/91/90/569179190.db2.gz MBSZFWLGPGBQEK-UHFFFAOYSA-N 0 0 433.460 4.807 50 0 biogenic IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2-c2ccncc2)cc1 ZINC000002374372 569180787 /nfs/dbraw/zinc/18/07/87/569180787.db2.gz XAOQORDOGWCWMM-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN CCOC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000002983383 569180889 /nfs/dbraw/zinc/18/08/89/569180889.db2.gz QLFCRWVPGQAZJV-VIFPVBQESA-N 0 0 439.579 4.722 50 0 IJAARN COc1ccc(CCNc2nc3nn(C(C)(C)C)c(N)c3c(-c3cccc(C)c3)n2)cc1 ZINC000037360682 569181607 /nfs/dbraw/zinc/18/16/07/569181607.db2.gz BRMYAAAJYDBNIF-UHFFFAOYSA-N 0 0 430.556 4.802 50 0 IJAARN O=C1CN(C2CCCCC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N12 ZINC000002116661 569182424 /nfs/dbraw/zinc/18/24/24/569182424.db2.gz NZYTYXGXMUGHIC-DHLKQENFSA-N 0 0 447.966 4.839 50 0 biogenic IJAARN CCCCCn1c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000027224438 569186603 /nfs/dbraw/zinc/18/66/03/569186603.db2.gz CWKURSLSSUJDGP-UHFFFAOYSA-N 0 0 436.581 4.866 50 0 IJAARN COCCn1ccc2cc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)ccc21 ZINC000252488857 569186754 /nfs/dbraw/zinc/18/67/54/569186754.db2.gz JAQMISTZBJDOEW-XMMPIXPASA-N 0 0 438.531 4.878 50 0 IJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002147352 569186996 /nfs/dbraw/zinc/18/69/96/569186996.db2.gz CHLOWAFVTYPIIG-NRFANRHFSA-N 0 0 437.492 4.835 50 0 biogenic IJAARN CCCCCN1CC(=O)N2[C@H](CCc3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002150205 569187207 /nfs/dbraw/zinc/18/72/07/569187207.db2.gz MTJZDILDVUINMG-RPWUZVMVSA-N 0 0 429.564 4.628 50 0 biogenic IJAARN CC(C)N1CCc2c(sc(NC(=O)c3cccc(Oc4ccccc4)c3)c2C(N)=O)C1 ZINC000011667758 569188428 /nfs/dbraw/zinc/18/84/28/569188428.db2.gz IVCZLBWNPCBFGC-UHFFFAOYSA-N 0 0 435.549 4.658 50 0 IJAARN CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002163740 569189012 /nfs/dbraw/zinc/18/90/12/569189012.db2.gz ABOGTQCGOVHOQF-YBFXNURJSA-N 0 0 439.924 4.990 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000002181668 569190405 /nfs/dbraw/zinc/19/04/05/569190405.db2.gz SJZLMQPIKMWBGS-UHFFFAOYSA-N 0 0 442.471 4.696 50 0 IJAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000002193505 569190874 /nfs/dbraw/zinc/19/08/74/569190874.db2.gz SWMLUQMAQMLVTQ-SFHVURJKSA-N 0 0 443.883 4.674 50 0 IJAARN O=C(CCN(Cc1ccco1)c1nc(-c2ccco2)nc2ccccc21)NCc1ccco1 ZINC000037382527 569191923 /nfs/dbraw/zinc/19/19/23/569191923.db2.gz AUBMIGUEIUJESC-UHFFFAOYSA-N 0 0 442.475 4.789 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(-n3nc(OC(C)C)nc3-c3ccco3)cc2)cc1 ZINC000037384914 569192276 /nfs/dbraw/zinc/19/22/76/569192276.db2.gz XOIFNUMQWOBGOG-UHFFFAOYSA-N 0 0 433.468 4.967 50 0 IJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)NC(C)(C)C ZINC000037399783 569194656 /nfs/dbraw/zinc/19/46/56/569194656.db2.gz REOJFKNZVWAWNI-KRWDZBQOSA-N 0 0 448.585 4.572 50 0 IJAARN CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cccs2)cc1 ZINC000037400175 569194760 /nfs/dbraw/zinc/19/47/60/569194760.db2.gz NONZXYHDCSLYKF-UHFFFAOYSA-N 0 0 447.553 4.847 50 0 IJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)CC(C)C ZINC000037401288 569195156 /nfs/dbraw/zinc/19/51/56/569195156.db2.gz KBNKJLUQMYETSH-GOSISDBHSA-N 0 0 433.570 4.636 50 0 IJAARN CC[C@@H](C(=O)NCCOC)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037439339 569196399 /nfs/dbraw/zinc/19/63/99/569196399.db2.gz KVJWXXVQIUFGEZ-NRFANRHFSA-N 0 0 443.544 4.637 50 0 IJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(Cl)c(Cl)c3)=NO2)C(=O)C2CC2)c1 ZINC000037439667 569196548 /nfs/dbraw/zinc/19/65/48/569196548.db2.gz KSEAZNLZCYQKLT-GOSISDBHSA-N 0 0 433.335 4.934 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000037524195 569198431 /nfs/dbraw/zinc/19/84/31/569198431.db2.gz UPXHQKLWYPRMIS-IBGZPJMESA-N 0 0 445.538 4.716 50 0 IJAARN O=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NCCc2cccs2)CC1 ZINC000037526124 569199115 /nfs/dbraw/zinc/19/91/15/569199115.db2.gz HCSLMDANADCOIK-UHFFFAOYSA-N 0 0 448.592 4.511 50 0 IJAARN O=C(NCc1ccncc1)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000037526854 569199195 /nfs/dbraw/zinc/19/91/95/569199195.db2.gz KNAXIZOVANGFGG-UHFFFAOYSA-N 0 0 444.329 4.978 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)cc2)C1 ZINC000037526603 569199207 /nfs/dbraw/zinc/19/92/07/569199207.db2.gz QONZXFJKDXOQHW-KRWDZBQOSA-N 0 0 428.529 4.614 50 0 IJAARN COc1ccccc1Oc1c(CCC(=O)N(C)C(C)C)c(C)nn1-c1ccc(F)cc1 ZINC000037547154 569200005 /nfs/dbraw/zinc/20/00/05/569200005.db2.gz KLKRBQPLGCQZDM-UHFFFAOYSA-N 0 0 425.504 4.920 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2F)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037546770 569200188 /nfs/dbraw/zinc/20/01/88/569200188.db2.gz CAJFTEXLPOKNPH-LJQANCHMSA-N 0 0 437.515 4.648 50 0 IJAARN COc1ccc(-n2nc(C)c(CCC(=O)NCC(C)C)c2Oc2ccc(F)cc2)cc1 ZINC000037546729 569200201 /nfs/dbraw/zinc/20/02/01/569200201.db2.gz SUEADMCQIQKSOQ-UHFFFAOYSA-N 0 0 425.504 4.826 50 0 IJAARN Cc1cccc(C(=O)N2CCc3nc(N4CCCC4)nc(Oc4ccc(F)cc4)c3C2)c1 ZINC000037579355 569201673 /nfs/dbraw/zinc/20/16/73/569201673.db2.gz VVBBLDVPXZSHOO-UHFFFAOYSA-N 0 0 432.499 4.515 50 0 IJAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NCC(C)C)cc2[C@@H]1c1ccc(C)cc1 ZINC000037602828 569202465 /nfs/dbraw/zinc/20/24/65/569202465.db2.gz MEXHMGMQNIRZQM-RSXGOPAZSA-N 0 0 436.596 4.809 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@H](C)C(=O)NC(C)C)cc2[C@@H]1c1cccc(F)c1 ZINC000037603371 569202611 /nfs/dbraw/zinc/20/26/11/569202611.db2.gz KZGAKVIPMXBKOP-CJAUYULYSA-N 0 0 440.559 4.638 50 0 IJAARN COc1cccc(C=c2sc3nc4c(ccc(C)c4C)n3c2=O)c1OCc1ccccc1 ZINC000252669773 569209815 /nfs/dbraw/zinc/20/98/15/569209815.db2.gz IQQSLKIVKCXFOI-UHFFFAOYSA-N 0 0 442.540 4.661 50 0 IJAARN C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197782 569210804 /nfs/dbraw/zinc/21/08/04/569210804.db2.gz DVYHZSOKOQOVDB-ZETCQYMHSA-N 0 0 442.151 4.590 50 0 IJAARN CCCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002099349 569211255 /nfs/dbraw/zinc/21/12/55/569211255.db2.gz ZPCKPGQHIZGUAT-URXFXBBRSA-N 0 0 435.955 4.696 50 0 biogenic IJAARN Cc1nn(-c2ccccc2)c(N)c1C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000003641219 569211964 /nfs/dbraw/zinc/21/19/64/569211964.db2.gz DCNWVADDJDMTJE-UHFFFAOYSA-N 0 0 442.363 4.513 50 0 IJAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n3n2)cc1 ZINC000002261683 569215790 /nfs/dbraw/zinc/21/57/90/569215790.db2.gz MBMGMABDBCSVHY-STZFKDTASA-N 0 0 447.491 4.554 50 0 IJAARN CSc1nc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c(NC[C@@H]2CCCO2)n1 ZINC000002253806 569216720 /nfs/dbraw/zinc/21/67/20/569216720.db2.gz WGOBTZSQKZORIA-LBPRGKRZSA-N 0 0 430.599 4.712 50 0 IJAARN COc1ccc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002254134 569216723 /nfs/dbraw/zinc/21/67/23/569216723.db2.gz ZQNJUTGCRCBBIN-HXUWFJFHSA-N 0 0 448.500 4.633 50 0 IJAARN O=C(Nc1ccc(F)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl ZINC000027521528 569218252 /nfs/dbraw/zinc/21/82/52/569218252.db2.gz RIWUQVZHLRJXSB-YBFXNURJSA-N 0 0 438.842 4.617 50 0 IJAARN c1csc(Cc2nnc(SCc3cnc(C4OCCO4)s3)n2-c2ccccc2)c1 ZINC000253425806 569267230 /nfs/dbraw/zinc/26/72/30/569267230.db2.gz IHZFBMCMWRFMAU-UHFFFAOYSA-N 0 0 442.591 4.714 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)c3cscn3)n2CCc2ccccc2)cc1 ZINC000253433455 569269420 /nfs/dbraw/zinc/26/94/20/569269420.db2.gz XCECSGNLIOLYHK-UHFFFAOYSA-N 0 0 436.562 4.628 50 0 IJAARN CCc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002311783 569273040 /nfs/dbraw/zinc/27/30/40/569273040.db2.gz OCXUGEZSURKMNR-UHFFFAOYSA-N 0 0 435.531 4.691 50 0 IJAARN COc1cc2c3c(c1)C(CSc1nnc(-c4ccc(C)cc4)o1)=CC(C)(C)N3C(=O)C2=O ZINC000253495380 569283186 /nfs/dbraw/zinc/28/31/86/569283186.db2.gz BFWZORYSYMEBGQ-UHFFFAOYSA-N 0 0 447.516 4.551 50 0 IJAARN CCNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)ccc1C ZINC000002369394 569288771 /nfs/dbraw/zinc/28/87/71/569288771.db2.gz AUEJBAVROICCRD-UHFFFAOYSA-N 0 0 436.512 4.786 50 0 IJAARN CCCCc1ccc(-n2c(N)c(C(=O)O[C@H](C)COC)c3nc4ccccc4nc32)cc1 ZINC000002378220 569289626 /nfs/dbraw/zinc/28/96/26/569289626.db2.gz AUOAVKOBWQUBET-MRXNPFEDSA-N 0 0 432.524 4.690 50 0 IJAARN CC(C)(C)NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002379934 569290009 /nfs/dbraw/zinc/29/00/09/569290009.db2.gz OWGUCYQWTHJNCI-UHFFFAOYSA-N 0 0 430.961 4.507 50 0 IJAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000002380271 569291570 /nfs/dbraw/zinc/29/15/70/569291570.db2.gz MSIUSDIQEQFPGH-QHCPKHFHSA-N 0 0 439.467 4.633 50 0 IJAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1[S@@](=O)Cc1ccc(Cl)cc1 ZINC000008873926 569291789 /nfs/dbraw/zinc/29/17/89/569291789.db2.gz FGKJQNNYNNKEMD-GDLZYMKVSA-N 0 0 443.878 4.857 50 0 IJAARN Cc1cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002385227 569294290 /nfs/dbraw/zinc/29/42/90/569294290.db2.gz DCAUMYOVVNMTKQ-JOCHJYFZSA-N 0 0 449.503 4.762 50 0 IJAARN CCOC(=O)c1c2cc(OC)c(Br)cc2n2c1CN(Cc1ccccc1)CC2 ZINC000055180274 569295310 /nfs/dbraw/zinc/29/53/10/569295310.db2.gz XFOPEBUINNITTK-UHFFFAOYSA-N 0 0 443.341 4.605 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(NC(=O)C(C)C)nc3N2)cc1 ZINC000002423277 569302252 /nfs/dbraw/zinc/30/22/52/569302252.db2.gz OFLRGKAEBZKDBM-RTBURBONSA-N 0 0 425.920 4.681 50 0 IJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCCc1ccccc1 ZINC000002424446 569302386 /nfs/dbraw/zinc/30/23/86/569302386.db2.gz RFLRCDBQTVDYME-UHFFFAOYSA-N 0 0 442.544 4.632 50 0 IJAARN CCCOC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc21 ZINC000002436190 569303838 /nfs/dbraw/zinc/30/38/38/569303838.db2.gz SKWBFZJBBNWMMF-UHFFFAOYSA-N 0 0 430.386 4.621 50 0 IJAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002437576 569303936 /nfs/dbraw/zinc/30/39/36/569303936.db2.gz CERJWKQGJPADFY-MRXNPFEDSA-N 0 0 430.556 4.530 50 0 IJAARN COc1ccc(CCn2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002445244 569304411 /nfs/dbraw/zinc/30/44/11/569304411.db2.gz PGIHYLAKYBHTKY-UHFFFAOYSA-N 0 0 444.535 4.908 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1C ZINC000002448179 569304609 /nfs/dbraw/zinc/30/46/09/569304609.db2.gz QFKBDUGXOJBXOH-KRWDZBQOSA-N 0 0 434.562 4.639 50 0 IJAARN Cc1c(C(=O)c2ncc(C(F)(F)F)cc2Cl)nnn1-c1ccc(C(F)(F)F)cc1 ZINC000012953723 569305183 /nfs/dbraw/zinc/30/51/83/569305183.db2.gz UNKRVSHOUFUNQI-UHFFFAOYSA-N 0 0 434.727 4.893 50 0 IJAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013008891 569306579 /nfs/dbraw/zinc/30/65/79/569306579.db2.gz FVWQLDMMQRNFMY-UHFFFAOYSA-N 0 0 436.585 4.868 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)c(OC)c1 ZINC000013027549 569307369 /nfs/dbraw/zinc/30/73/69/569307369.db2.gz RWGTYELFAKCRCT-UHFFFAOYSA-N 0 0 448.548 4.761 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(Cc3ccccc3)o2)cs1 ZINC000013056542 569308289 /nfs/dbraw/zinc/30/82/89/569308289.db2.gz NGBSOIQSVQRISY-UHFFFAOYSA-N 0 0 436.562 4.899 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013073502 569309094 /nfs/dbraw/zinc/30/90/94/569309094.db2.gz MMUNFYGSCJVXOW-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1 ZINC000013095363 569309344 /nfs/dbraw/zinc/30/93/44/569309344.db2.gz FYRVCKRTAJVEDX-CALCHBBNSA-N 0 0 443.927 4.548 50 0 IJAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCCC1CCCCC1 ZINC000013098906 569309896 /nfs/dbraw/zinc/30/98/96/569309896.db2.gz FREUDGLULNMIKU-UHFFFAOYSA-N 0 0 436.618 4.949 50 0 IJAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(C)ccc2Cl)cc1 ZINC000013100640 569310022 /nfs/dbraw/zinc/31/00/22/569310022.db2.gz JFOHPUHCOZGABX-UHFFFAOYSA-N 0 0 445.924 4.701 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@H]4CCCc5ccccc54)c(=O)c23)s1 ZINC000013113196 569310622 /nfs/dbraw/zinc/31/06/22/569310622.db2.gz XNJPYHZDIZFTJF-SFHVURJKSA-N 0 0 435.574 4.689 50 0 IJAARN CC(=O)c1cccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000013137440 569311549 /nfs/dbraw/zinc/31/15/49/569311549.db2.gz QFHZFHFOTZYCCJ-UHFFFAOYSA-N 0 0 428.535 4.553 50 0 IJAARN CCCOc1c2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2sc1C(=O)OC ZINC000013346694 569312937 /nfs/dbraw/zinc/31/29/37/569312937.db2.gz CCRJYPPDBGWBIS-UHFFFAOYSA-N 0 0 437.473 4.835 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CC2)Nc1ccc(F)c(Cl)c1 ZINC000013356037 569313650 /nfs/dbraw/zinc/31/36/50/569313650.db2.gz OGOYYKJXQXTVHF-UHFFFAOYSA-N 0 0 445.903 4.875 50 0 IJAARN CCCCc1cc2c(s1)SCC(=O)N2CC(=O)NCc1ccc(F)cc1Cl ZINC000013358613 569313718 /nfs/dbraw/zinc/31/37/18/569313718.db2.gz TZUQULKACPJUMW-UHFFFAOYSA-N 0 0 426.966 4.638 50 0 IJAARN Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC4CCC(C)CC4)c3=O)cc2)c1 ZINC000013358977 569313781 /nfs/dbraw/zinc/31/37/81/569313781.db2.gz HWNPNDSKAQSORT-UHFFFAOYSA-N 0 0 443.547 4.707 50 0 IJAARN C[C@@H](CCc1ccco1)NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366397 569314364 /nfs/dbraw/zinc/31/43/64/569314364.db2.gz YVRPBCMXICWAEE-CYFREDJKSA-N 0 0 448.588 4.675 50 0 IJAARN COc1cccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1 ZINC000013401839 569315427 /nfs/dbraw/zinc/31/54/27/569315427.db2.gz DOLAIMXJPKMGMO-UHFFFAOYSA-N 0 0 435.574 4.835 50 0 IJAARN Cc1cccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 ZINC000078648522 569316718 /nfs/dbraw/zinc/31/67/18/569316718.db2.gz KXUGMQXVJGPYRH-HXUWFJFHSA-N 0 0 442.441 4.502 50 0 IJAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000078729628 569318740 /nfs/dbraw/zinc/31/87/40/569318740.db2.gz FRBXVHPTVVPPBX-ZEQRLZLVSA-N 0 0 444.531 4.513 50 0 IJAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000078797173 569319089 /nfs/dbraw/zinc/31/90/89/569319089.db2.gz ZJHKLKCKMNFEEI-QHCPKHFHSA-N 0 0 439.581 4.564 50 0 IJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078996261 569321757 /nfs/dbraw/zinc/32/17/57/569321757.db2.gz XQFCLUDGTTZVHK-QZTJIDSGSA-N 0 0 442.575 4.729 50 0 IJAARN CN(C)C(=O)Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000079019595 569322355 /nfs/dbraw/zinc/32/23/55/569322355.db2.gz OGRIDCBGDXZFRS-JOCHJYFZSA-N 0 0 449.530 4.606 50 0 IJAARN CCS[C@@H]1CCCC[C@H]1Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000079022008 569322491 /nfs/dbraw/zinc/32/24/91/569322491.db2.gz MVCQEDMQWARRNW-TZMCWYRMSA-N 0 0 432.899 4.776 50 0 IJAARN CCS[C@H]1CCCC[C@H]1Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000079022010 569322547 /nfs/dbraw/zinc/32/25/47/569322547.db2.gz MVCQEDMQWARRNW-OCCSQVGLSA-N 0 0 432.899 4.776 50 0 IJAARN Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(N5CCOC5=O)c4)cc3)[nH]c2cc1C ZINC000079050850 569323438 /nfs/dbraw/zinc/32/34/38/569323438.db2.gz KEUYNZUVDGSVCR-UHFFFAOYSA-N 0 0 440.503 4.733 50 0 IJAARN O=C(NCc1ncoc1-c1ccccc1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000079056239 569323657 /nfs/dbraw/zinc/32/36/57/569323657.db2.gz BFERXWMIMUGBQY-UHFFFAOYSA-N 0 0 445.479 4.720 50 0 IJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)o2)cc1C ZINC000079102135 569325488 /nfs/dbraw/zinc/32/54/88/569325488.db2.gz YQSRDTQJEMYZJP-NHCUHLMSSA-N 0 0 432.568 4.752 50 0 IJAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000079102583 569325544 /nfs/dbraw/zinc/32/55/44/569325544.db2.gz HJYGUJINQJRGME-DLBZAZTESA-N 0 0 431.602 4.771 50 0 IJAARN C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccco1)CC(=O)O3 ZINC000079192326 569328042 /nfs/dbraw/zinc/32/80/42/569328042.db2.gz RWCVMLCYBFWAQS-MNTBIDKASA-N 0 0 438.476 4.908 50 0 IJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)cc2)cc1 ZINC000079192206 569328093 /nfs/dbraw/zinc/32/80/93/569328093.db2.gz FQGFKWJTQCGTME-SFHVURJKSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079484497 569331003 /nfs/dbraw/zinc/33/10/03/569331003.db2.gz NXRLBAKKNSFKGU-XMMPIXPASA-N 0 0 431.580 4.973 50 0 IJAARN COc1ccc2nc(NC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)sc2c1 ZINC000020115857 569334975 /nfs/dbraw/zinc/33/49/75/569334975.db2.gz CPENIRGGFSOOQZ-VQTJNVASSA-N 0 0 449.557 4.916 50 0 IJAARN CCOC(=O)CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000020152167 569336574 /nfs/dbraw/zinc/33/65/74/569336574.db2.gz ZBWOTEZQPYNAMI-WQRHYEAKSA-N 0 0 444.940 4.697 50 0 IJAARN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3C(=O)N2C)c2ccccc21 ZINC000020154103 569353510 /nfs/dbraw/zinc/35/35/10/569353510.db2.gz JTQYDODXLMMPFF-BJKOFHAPSA-N 0 0 427.479 4.867 50 0 IJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccccc3-c3cn4c(n3)SCC4)n(C)n2)cc1 ZINC000390827324 569353942 /nfs/dbraw/zinc/35/39/42/569353942.db2.gz GCGBHCUZNFTHPQ-UHFFFAOYSA-N 0 0 445.548 4.707 50 0 IJAARN CCOc1cccc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=Nc3cccc(OC)c3)oc21 ZINC000390830038 569354127 /nfs/dbraw/zinc/35/41/27/569354127.db2.gz IJDUYBNSISXMQO-RQZHXJHFSA-N 0 0 439.471 4.976 50 0 IJAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCOC(C)C)C2=O)cc1 ZINC000020181642 569355394 /nfs/dbraw/zinc/35/53/94/569355394.db2.gz LSRHURCBTWZIOX-XQNSMLJCSA-N 0 0 438.593 4.660 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216381 569356703 /nfs/dbraw/zinc/35/67/03/569356703.db2.gz PSTGAQFQRHVLKX-WAOWUJCRSA-N 0 0 442.563 4.740 50 0 IJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000020241573 569358042 /nfs/dbraw/zinc/35/80/42/569358042.db2.gz HYLOKOUUOSCBSN-WRGVRERRSA-N 0 0 442.968 4.746 50 0 IJAARN CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000020242648 569358154 /nfs/dbraw/zinc/35/81/54/569358154.db2.gz WUGDACZNHULRIJ-JGCGQSQUSA-N 0 0 446.572 4.770 50 0 IJAARN O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242765 569358292 /nfs/dbraw/zinc/35/82/92/569358292.db2.gz PWNNBTCPGLDBFG-JGCGQSQUSA-N 0 0 444.556 4.686 50 0 IJAARN CCCCN(C)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000020242731 569358346 /nfs/dbraw/zinc/35/83/46/569358346.db2.gz KAIHWOCZWWWMIC-YTTGMZPUSA-N 0 0 446.572 4.886 50 0 IJAARN CC[C@H](C)NC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000020279902 569358595 /nfs/dbraw/zinc/35/85/95/569358595.db2.gz OSIJAESTEXDPTD-HNNXBMFYSA-N 0 0 439.991 4.798 50 0 IJAARN C[C@@H](NC(=O)Nc1cccc2cccnc21)c1cc2c(cc1Br)OCCO2 ZINC000095352042 569362186 /nfs/dbraw/zinc/36/21/86/569362186.db2.gz ZZIIZQSZPQCXHS-GFCCVEGCSA-N 0 0 428.286 4.651 50 0 IJAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)c2c1 ZINC000020381564 569362627 /nfs/dbraw/zinc/36/26/27/569362627.db2.gz VBRWTUDXIHKIQA-UHFFFAOYSA-N 0 0 430.957 4.966 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)c1 ZINC000095392994 569363433 /nfs/dbraw/zinc/36/34/33/569363433.db2.gz GDLAEAITAMWWLK-UHFFFAOYSA-N 0 0 439.235 4.918 50 0 IJAARN CN(C(=O)CN1c2sc3c(c2C(c2ccccc2)=NCC1=O)CCCC3)C1CCCCC1 ZINC000020413391 569364208 /nfs/dbraw/zinc/36/42/08/569364208.db2.gz ANZZSSWWPPWDQZ-UHFFFAOYSA-N 0 0 449.620 4.602 50 0 IJAARN Cc1cc(Br)cc(I)c1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000096013046 569380123 /nfs/dbraw/zinc/38/01/23/569380123.db2.gz WGFKIMCTANJRTM-PHIMTYICSA-N 0 0 449.130 4.626 50 0 IJAARN CCn1cc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020439125 569365726 /nfs/dbraw/zinc/36/57/26/569365726.db2.gz UYQSFSXTFYCKCP-MOHJPFBDSA-N 0 0 445.563 4.843 50 0 IJAARN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000095434545 569366506 /nfs/dbraw/zinc/36/65/06/569366506.db2.gz YIJZRQQWWPXCNZ-KBPBESRZSA-N 0 0 435.977 4.839 50 0 IJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000095449939 569367645 /nfs/dbraw/zinc/36/76/45/569367645.db2.gz LSEHVSPTTKTPLA-QPPBQGQZSA-N 0 0 447.579 4.931 50 0 IJAARN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000095458877 569369163 /nfs/dbraw/zinc/36/91/63/569369163.db2.gz XZJCXHHXDLNVCB-BTYIYWSLSA-N 0 0 428.579 4.950 50 0 IJAARN CC[C@]1(C(=O)Nc2ccc(N3CCSCC3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC000095458723 569369173 /nfs/dbraw/zinc/36/91/73/569369173.db2.gz CSATUEVSTCKLJC-HSZRJFAPSA-N 0 0 433.618 4.666 50 0 IJAARN CCc1cc(=O)c2cc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)ccc2[nH]1 ZINC000095465052 569370685 /nfs/dbraw/zinc/37/06/85/569370685.db2.gz CQGJDSOUUDMMBT-RUZDIDTESA-N 0 0 438.483 4.797 50 0 IJAARN CC(C)(C)c1cc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc(C(C)(C)C)c1O ZINC000095476385 569373078 /nfs/dbraw/zinc/37/30/78/569373078.db2.gz PZZQVFSSZAVUEZ-MRXNPFEDSA-N 0 0 441.572 4.952 50 0 IJAARN Cc1ncc(Cn2cnc(Cl)c2Cl)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095478825 569373700 /nfs/dbraw/zinc/37/37/00/569373700.db2.gz SJNLGFHVXZKNFR-UHFFFAOYSA-N 0 0 444.274 4.690 50 0 IJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@]1(C)CCCCN1C(=O)c1ccccc1 ZINC000096006703 569379470 /nfs/dbraw/zinc/37/94/70/569379470.db2.gz XTTZKEZJKOQYRR-VWLOTQADSA-N 0 0 430.508 4.601 50 0 IJAARN Cc1csc(C2(NC(=O)c3cnn(-c4ccccc4)c3Br)CCCC2)n1 ZINC000096006707 569379490 /nfs/dbraw/zinc/37/94/90/569379490.db2.gz PVUHLNRAVKFNOR-UHFFFAOYSA-N 0 0 431.359 4.599 50 0 IJAARN CN1C(=O)CSC12CCN(C(=O)c1sc(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000096007081 569379514 /nfs/dbraw/zinc/37/95/14/569379514.db2.gz GZHPWLVGLARSGF-UHFFFAOYSA-N 0 0 449.601 4.615 50 0 IJAARN C[C@@H](Cc1cccs1)C(=O)Nc1ccccc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096011780 569379912 /nfs/dbraw/zinc/37/99/12/569379912.db2.gz BZQYVHIFEWGOOC-IRXDYDNUSA-N 0 0 429.586 4.987 50 0 IJAARN COc1ccc(/C=C2/N=C(SCCCCO)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000096032923 569380923 /nfs/dbraw/zinc/38/09/23/569380923.db2.gz ORIISAYYLTZDAJ-CPNJWEJPSA-N 0 0 446.956 4.607 50 0 IJAARN COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(C(C)C)cc2)cc(=O)c1O ZINC000096114914 569383063 /nfs/dbraw/zinc/38/30/63/569383063.db2.gz RHWNVIGDLOYQQU-FQEVSTJZSA-N 0 0 439.533 4.851 50 0 biogenic IJAARN COc1cccc([C@@H]2CC(=O)Oc3cc(OC)c4c(=O)cc(-c5ccccc5)oc4c32)c1 ZINC000096115188 569383131 /nfs/dbraw/zinc/38/31/31/569383131.db2.gz ZSVKPCUOIFFQMF-SFHVURJKSA-N 0 0 428.440 4.918 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3c(c(Cl)c2)OCO3)S1 ZINC000096117991 569384431 /nfs/dbraw/zinc/38/44/31/569384431.db2.gz DOXTWLHZNJHHNC-YVEFUNNKSA-N 0 0 435.933 4.575 50 0 IJAARN COc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c1 ZINC000096119039 569384552 /nfs/dbraw/zinc/38/45/52/569384552.db2.gz PRTDHYHWBKKRDM-GFCCVEGCSA-N 0 0 448.342 4.589 50 0 IJAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119696 569384768 /nfs/dbraw/zinc/38/47/68/569384768.db2.gz JXLCBEISSYFBMF-UHFFFAOYSA-N 0 0 443.438 4.712 50 0 IJAARN O=C(Nc1cc(F)ccc1F)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 ZINC000096124044 569385381 /nfs/dbraw/zinc/38/53/81/569385381.db2.gz IJZILXAZOHPWJB-UHFFFAOYSA-N 0 0 433.462 4.554 50 0 IJAARN C/C=C\c1cc(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1OC ZINC000096128276 569385710 /nfs/dbraw/zinc/38/57/10/569385710.db2.gz WALMWRQTSIUAFC-NXLSHAFYSA-N 0 0 436.464 4.570 50 0 IJAARN CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)n1 ZINC000096211152 569386573 /nfs/dbraw/zinc/38/65/73/569386573.db2.gz ZNIREMZQNUTAPH-UHFFFAOYSA-N 0 0 435.597 4.503 50 0 IJAARN CN1c2cccnc2Sc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc2C1=O ZINC000096232591 569387871 /nfs/dbraw/zinc/38/78/71/569387871.db2.gz ORGHUEIKCOHFRG-UHFFFAOYSA-N 0 0 431.304 4.777 50 0 IJAARN CC[C@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)COCc1ccccc1 ZINC000096276243 569388512 /nfs/dbraw/zinc/38/85/12/569388512.db2.gz CGFGCDYBOOULDP-KRWDZBQOSA-N 0 0 427.932 4.776 50 0 IJAARN COCCNC(=O)CCc1c(-c2ccc(C)cc2)nc2ccc(-c3cccc(C)c3)cn21 ZINC000096289094 569390547 /nfs/dbraw/zinc/39/05/47/569390547.db2.gz YLVGPLPEYREJFK-UHFFFAOYSA-N 0 0 427.548 4.980 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)Cc3ccc(F)cc3)C3CCCCC3)n2)cc1 ZINC000096291899 569391109 /nfs/dbraw/zinc/39/11/09/569391109.db2.gz ZVCCLKUHQYZCSQ-UHFFFAOYSA-N 0 0 437.515 4.831 50 0 IJAARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096292965 569391403 /nfs/dbraw/zinc/39/14/03/569391403.db2.gz RNFXQRSVYBBQJP-HXPMCKFVSA-N 0 0 446.454 4.941 50 0 IJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccco3)[C@H](C)c3ccccc3)n2)cc1OC ZINC000096293275 569391538 /nfs/dbraw/zinc/39/15/38/569391538.db2.gz NDLLVDCPJNISBX-QGZVFWFLSA-N 0 0 447.491 4.793 50 0 IJAARN COc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000096293557 569391658 /nfs/dbraw/zinc/39/16/58/569391658.db2.gz SRHWKXPCEBODIR-UHFFFAOYSA-N 0 0 445.494 4.812 50 0 IJAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccc(C)cc3)n2)c1 ZINC000096294046 569391773 /nfs/dbraw/zinc/39/17/73/569391773.db2.gz GPTFQXIHASTRLQ-UHFFFAOYSA-N 0 0 427.504 4.939 50 0 IJAARN COc1cccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccccc3)n2)c1 ZINC000096294179 569391792 /nfs/dbraw/zinc/39/17/92/569391792.db2.gz CUJNQFPWHSHOSF-UHFFFAOYSA-N 0 0 427.504 4.673 50 0 IJAARN CC(=O)Nc1ccc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)cc1 ZINC000096310829 569392599 /nfs/dbraw/zinc/39/25/99/569392599.db2.gz GPNJGWJSKADHOE-WJDWOHSUSA-N 0 0 439.880 4.892 50 0 IJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317537 569393521 /nfs/dbraw/zinc/39/35/21/569393521.db2.gz KCKYNLVWDOAWAT-UHFFFAOYSA-N 0 0 446.998 4.850 50 0 IJAARN CC(=O)N1CCN(c2nc(CC(C)C)nc(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000096317776 569393623 /nfs/dbraw/zinc/39/36/23/569393623.db2.gz IDMSSVYFFSYTII-UHFFFAOYSA-N 0 0 435.399 4.550 50 0 IJAARN CCOc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4C)o3)n2)cc1 ZINC000096322729 569394898 /nfs/dbraw/zinc/39/48/98/569394898.db2.gz YZHSYFASXIDNRZ-UHFFFAOYSA-N 0 0 438.505 4.986 50 0 IJAARN O=C(Nc1cccc(Cl)c1)N1CCc2c(sc3nc(-c4ccc(F)cc4)nn32)C1 ZINC000096323808 569395477 /nfs/dbraw/zinc/39/54/77/569395477.db2.gz LGZZBKNWHNXTDI-UHFFFAOYSA-N 0 0 427.892 4.841 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)c(F)c2)C4)cc1 ZINC000096323759 569395490 /nfs/dbraw/zinc/39/54/90/569395490.db2.gz UHMJKNDWLVHHGX-UHFFFAOYSA-N 0 0 437.500 4.504 50 0 IJAARN COc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(Cl)cc5)nn43)C2)cc1 ZINC000096323783 569395504 /nfs/dbraw/zinc/39/55/04/569395504.db2.gz YTFZUFDWSYRICK-UHFFFAOYSA-N 0 0 439.928 4.710 50 0 IJAARN CCOc1ccc(N(CC)C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)cc1 ZINC000096363744 569397772 /nfs/dbraw/zinc/39/77/72/569397772.db2.gz CSHFFZVKLQVFRN-UHFFFAOYSA-N 0 0 445.563 4.918 50 0 IJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096372246 569397819 /nfs/dbraw/zinc/39/78/19/569397819.db2.gz XHRIPTMUMHGQQK-UHFFFAOYSA-N 0 0 446.528 4.573 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCC3)c2)c1 ZINC000096386543 569398652 /nfs/dbraw/zinc/39/86/52/569398652.db2.gz VEKCRIATMKYFDA-UHFFFAOYSA-N 0 0 431.496 4.565 50 0 IJAARN COC(=O)c1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1 ZINC000096386610 569398683 /nfs/dbraw/zinc/39/86/83/569398683.db2.gz DXBAJDMSHHLPRT-UHFFFAOYSA-N 0 0 431.496 4.565 50 0 IJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000096386854 569398749 /nfs/dbraw/zinc/39/87/49/569398749.db2.gz ZXUNRJHJMNVBCR-XMMPIXPASA-N 0 0 425.532 4.655 50 0 IJAARN Cc1cccc(-n2c(CC(=O)NCc3ccc(OC(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000096387084 569398758 /nfs/dbraw/zinc/39/87/58/569398758.db2.gz YIFFCZYQUNGAAQ-HSZRJFAPSA-N 0 0 429.520 4.585 50 0 IJAARN Cc1oc(C2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc1C(=O)N1CCCC1 ZINC000096397066 569399337 /nfs/dbraw/zinc/39/93/37/569399337.db2.gz SWBUXDUFNCNAMB-UHFFFAOYSA-N 0 0 430.936 4.592 50 0 IJAARN Cc1oc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc1Cn1cccn1 ZINC000096397201 569399441 /nfs/dbraw/zinc/39/94/41/569399441.db2.gz CIGHSPXICUEHPB-UHFFFAOYSA-N 0 0 427.258 4.503 50 0 IJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2s1 ZINC000096399585 569400191 /nfs/dbraw/zinc/40/01/91/569400191.db2.gz LXDRMLWXCRDFJX-UHFFFAOYSA-N 0 0 429.386 4.972 50 0 IJAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)C=Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000096401301 569400534 /nfs/dbraw/zinc/40/05/34/569400534.db2.gz HHDSJCZEPCTNCM-NXVVXOECSA-N 0 0 445.519 4.667 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000021811531 569400809 /nfs/dbraw/zinc/40/08/09/569400809.db2.gz NWUOFYWRLABIDJ-CIVIXNTOSA-N 0 0 447.579 4.898 50 0 IJAARN CC(C)(C)c1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc5c(c3)OCO5)OC4)n2)cc1 ZINC000097077819 569403016 /nfs/dbraw/zinc/40/30/16/569403016.db2.gz ANXFDHWMNZZWKH-JOCHJYFZSA-N 0 0 444.491 4.898 50 0 IJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)n1 ZINC000225540615 569403908 /nfs/dbraw/zinc/40/39/08/569403908.db2.gz KJHIMJWFXTYIFR-LJQANCHMSA-N 0 0 428.536 4.561 50 0 IJAARN O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc(Cl)cc1 ZINC000002470789 569404270 /nfs/dbraw/zinc/40/42/70/569404270.db2.gz RCGKCACLWJTDPP-UHFFFAOYSA-N 0 0 429.929 4.912 50 0 IJAARN Cc1cc(C(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)n1C[C@H]1CCCO1 ZINC000002479665 569404602 /nfs/dbraw/zinc/40/46/02/569404602.db2.gz NSOHYQYEABCGBL-GOSISDBHSA-N 0 0 434.565 4.763 50 0 IJAARN O=C(c1ccc(Oc2nccs2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225635882 569406190 /nfs/dbraw/zinc/40/61/90/569406190.db2.gz IWYMIHFEGLIYGL-UHFFFAOYSA-N 0 0 433.455 4.917 50 0 IJAARN COc1ccc(CCC(=O)NCc2cccnc2-c2ccsc2)cc1Br ZINC000225645880 569406317 /nfs/dbraw/zinc/40/63/17/569406317.db2.gz BREXNWGSCQTECS-UHFFFAOYSA-N 0 0 431.355 4.830 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C ZINC000002617149 569410236 /nfs/dbraw/zinc/41/02/36/569410236.db2.gz RLUXHVUCJOMUHH-UHFFFAOYSA-N 0 0 442.516 4.516 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nnc2-c2cccnc2)c(C)c1 ZINC000002622437 569411160 /nfs/dbraw/zinc/41/11/60/569411160.db2.gz GWDQZTVTKKVBTG-UHFFFAOYSA-N 0 0 441.560 4.628 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000002623231 569411339 /nfs/dbraw/zinc/41/13/39/569411339.db2.gz OSAPYIWJPODNIF-UHFFFAOYSA-N 0 0 427.504 4.944 50 0 IJAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000002624029 569411401 /nfs/dbraw/zinc/41/14/01/569411401.db2.gz FHWFCEXJIVSBRW-UHFFFAOYSA-N 0 0 432.524 4.824 50 0 IJAARN COCCCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000002625633 569411608 /nfs/dbraw/zinc/41/16/08/569411608.db2.gz JSSQEYIBCXXAEC-UHFFFAOYSA-N 0 0 437.899 4.888 50 0 IJAARN CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002627904 569411888 /nfs/dbraw/zinc/41/18/88/569411888.db2.gz QDMBAVGDABAMCV-JOCHJYFZSA-N 0 0 448.350 4.697 50 0 IJAARN COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc(OC)c1OC ZINC000002630442 569412303 /nfs/dbraw/zinc/41/23/03/569412303.db2.gz WZSCINWUEKLROC-UHFFFAOYSA-N 0 0 435.505 4.879 50 0 IJAARN CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000002632348 569412554 /nfs/dbraw/zinc/41/25/54/569412554.db2.gz OZOKOODJXVECFX-UHFFFAOYSA-N 0 0 443.528 4.628 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccccc1 ZINC000002633453 569412682 /nfs/dbraw/zinc/41/26/82/569412682.db2.gz RHYDVGLOYUPNIR-HSZRJFAPSA-N 0 0 434.492 4.688 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NCCc1ccccc1 ZINC000002636290 569413043 /nfs/dbraw/zinc/41/30/43/569413043.db2.gz ZTXIEMPQEOWZPR-UHFFFAOYSA-N 0 0 440.638 4.887 50 0 IJAARN Cc1sc2nc(SCC(=O)N3CCCCCC3)n(Cc3ccccc3)c(=O)c2c1C ZINC000002640717 569413672 /nfs/dbraw/zinc/41/36/72/569413672.db2.gz UHWVTQHXVDYDQJ-UHFFFAOYSA-N 0 0 441.622 4.618 50 0 IJAARN Cc1cc(C(=O)COc2ncnc3sc(C)c(C)c32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002645007 569414159 /nfs/dbraw/zinc/41/41/59/569414159.db2.gz AWPDDYKRFPFKEH-UHFFFAOYSA-N 0 0 449.532 4.765 50 0 IJAARN Cc1ccccc1CN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000002648482 569414401 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CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2CC)cc1 ZINC000057523137 569439041 /nfs/dbraw/zinc/43/90/41/569439041.db2.gz YIRKCBLEDKWCMI-UHFFFAOYSA-N 0 0 432.549 4.705 50 0 IJAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000057713334 569441039 /nfs/dbraw/zinc/44/10/39/569441039.db2.gz IDTRETYEYJRGPY-LIRRHRJNSA-N 0 0 437.883 4.840 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003216084 569441857 /nfs/dbraw/zinc/44/18/57/569441857.db2.gz YTRWOLSIJYABRD-SFHVURJKSA-N 0 0 449.934 4.865 50 0 IJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003217092 569441862 /nfs/dbraw/zinc/44/18/62/569441862.db2.gz IQHRRMMSPXUDDJ-UHFFFAOYSA-N 0 0 435.863 4.569 50 0 IJAARN C[C@@H](NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000003244134 569442673 /nfs/dbraw/zinc/44/26/73/569442673.db2.gz SAMQZJQLMKZODM-OAHLLOKOSA-N 0 0 443.425 4.878 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000003246452 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CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000003291962 569444464 /nfs/dbraw/zinc/44/44/64/569444464.db2.gz WATZJWXPZJVCRW-UHFFFAOYSA-N 0 0 440.878 4.835 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n32)c1C ZINC000003301701 569445092 /nfs/dbraw/zinc/44/50/92/569445092.db2.gz CMBSACKQYCYRIA-UHFFFAOYSA-N 0 0 436.581 4.848 50 0 IJAARN Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)o1 ZINC000003307724 569445304 /nfs/dbraw/zinc/44/53/04/569445304.db2.gz UNILTZLNMHJAKZ-HNNXBMFYSA-N 0 0 444.443 4.716 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 ZINC000003309362 569445329 /nfs/dbraw/zinc/44/53/29/569445329.db2.gz VEQJMVQVKGFDEJ-CZUORRHYSA-N 0 0 449.001 4.958 50 0 IJAARN C[C@H](Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1 ZINC000003309360 569445333 /nfs/dbraw/zinc/44/53/33/569445333.db2.gz VEQJMVQVKGFDEJ-XJKSGUPXSA-N 0 0 449.001 4.958 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccccc1Cl ZINC000003317314 569445782 /nfs/dbraw/zinc/44/57/82/569445782.db2.gz FCFIKFREYYNEQN-UHFFFAOYSA-N 0 0 438.940 4.648 50 0 IJAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000003320436 569446000 /nfs/dbraw/zinc/44/60/00/569446000.db2.gz NQUHDKVMAUHVBN-KRWDZBQOSA-N 0 0 445.592 4.980 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000003323778 569446087 /nfs/dbraw/zinc/44/60/87/569446087.db2.gz NSPNVSWUIMNOJG-UHFFFAOYSA-N 0 0 447.491 4.820 50 0 IJAARN Cc1ccc(N(CCC(=O)Nc2ccc(F)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003339582 569446762 /nfs/dbraw/zinc/44/67/62/569446762.db2.gz GSHKANZUVLYLOH-UHFFFAOYSA-N 0 0 440.540 4.975 50 0 IJAARN COc1ccc(-c2nc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)n[nH]2)cc1 ZINC000003338290 569446769 /nfs/dbraw/zinc/44/67/69/569446769.db2.gz ZBLXRRZOOKCFAT-UHFFFAOYSA-N 0 0 438.578 4.983 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3F)n[nH]2)cc1 ZINC000003350495 569447352 /nfs/dbraw/zinc/44/73/52/569447352.db2.gz WRHUPEHVMVJXAD-UHFFFAOYSA-N 0 0 435.322 4.667 50 0 IJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000003363626 569448058 /nfs/dbraw/zinc/44/80/58/569448058.db2.gz DNXNJAXGFQEQIS-UHFFFAOYSA-N 0 0 430.254 4.502 50 0 IJAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1=O ZINC000003364889 569448077 /nfs/dbraw/zinc/44/80/77/569448077.db2.gz ZDNXFOSAOSWFJQ-INIZCTEOSA-N 0 0 444.487 4.985 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(COC(=O)C(C)(C)Oc4ccc(Cl)cc4)[nH]c(=O)c23)C1 ZINC000003371265 569448485 /nfs/dbraw/zinc/44/84/85/569448485.db2.gz FEDGJAPIXOASEK-GFCCVEGCSA-N 0 0 446.956 4.664 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc2)n1 ZINC000003406856 569449958 /nfs/dbraw/zinc/44/99/58/569449958.db2.gz YDNANIFASJEVIX-UHFFFAOYSA-N 0 0 426.524 4.726 50 0 IJAARN O=c1c(=O)n(Cc2ccccc2)c2ccc(Cl)cc2n1CCSc1ccccc1F ZINC000003408148 569450011 /nfs/dbraw/zinc/45/00/11/569450011.db2.gz IDYDLJGZTCQLOU-UHFFFAOYSA-N 0 0 440.927 4.796 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1ccccc1Br ZINC000003422393 569450504 /nfs/dbraw/zinc/45/05/04/569450504.db2.gz SGCGUXNWDLVPSD-UHFFFAOYSA-N 0 0 439.265 4.682 50 0 IJAARN Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000058218133 569450777 /nfs/dbraw/zinc/45/07/77/569450777.db2.gz STHKXZYHQXMMDK-LJQANCHMSA-N 0 0 447.926 4.904 50 0 IJAARN O=C(CCSc1ccc(Cl)cc1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000003451433 569451681 /nfs/dbraw/zinc/45/16/81/569451681.db2.gz FMPKMYPXZDBRCD-UHFFFAOYSA-N 0 0 430.938 4.788 50 0 IJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C)C[C@@H]4c4ccccc4)cc3)o2)c1 ZINC000030997457 569452161 /nfs/dbraw/zinc/45/21/61/569452161.db2.gz ZFMLXPMACZKHEZ-XMMPIXPASA-N 0 0 438.531 4.841 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc2ccccc21 ZINC000003477708 569452204 /nfs/dbraw/zinc/45/22/04/569452204.db2.gz ZXSHJKUIMMWTDO-UHFFFAOYSA-N 0 0 433.489 4.764 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000031072887 569453134 /nfs/dbraw/zinc/45/31/34/569453134.db2.gz LMFYBYJDJRRSJG-UHFFFAOYSA-N 0 0 438.959 4.982 50 0 IJAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164950 569454243 /nfs/dbraw/zinc/45/42/43/569454243.db2.gz CMMNHPXIBQXLNO-UHFFFAOYSA-N 0 0 448.519 4.619 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3F)nc3onc(C)c31)CC2 ZINC000031239906 569455131 /nfs/dbraw/zinc/45/51/31/569455131.db2.gz ORIVNJONTWSIHV-UHFFFAOYSA-N 0 0 447.466 4.553 50 0 IJAARN O=c1c2cc(NC(=S)Nc3cccc(C(F)(F)F)c3)ccc2nc2n1CCCCC2 ZINC000003645876 569455620 /nfs/dbraw/zinc/45/56/20/569455620.db2.gz JKMFQJJLSYWPJE-UHFFFAOYSA-N 0 0 432.471 4.951 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC ZINC000003991823 569457458 /nfs/dbraw/zinc/45/74/58/569457458.db2.gz GGQVVWSWCUUMJP-UHFFFAOYSA-N 0 0 427.566 4.972 50 0 IJAARN COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccccc2)C3=O)c1 ZINC000031807908 569457561 /nfs/dbraw/zinc/45/75/61/569457561.db2.gz OLSHPFSMMWWRPD-DEOSSOPVSA-N 0 0 427.460 4.549 50 0 IJAARN Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031814279 569457904 /nfs/dbraw/zinc/45/79/04/569457904.db2.gz NAEHVROOVUOBKQ-UHFFFAOYSA-N 0 0 444.875 4.979 50 0 IJAARN Cc1nc(NC(=O)COc2ccccc2Cl)sc1-c1nc(-c2cccs2)no1 ZINC000031816569 569458018 /nfs/dbraw/zinc/45/80/18/569458018.db2.gz FMYPFSSLNBXRMC-UHFFFAOYSA-N 0 0 432.914 4.901 50 0 IJAARN COc1ccc(-c2nc3c(s2)C[N@@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(F)ccc42)CC3)cc1 ZINC000031816038 569458027 /nfs/dbraw/zinc/45/80/27/569458027.db2.gz DIHRHVSXHMRTDR-OAQYLSRUSA-N 0 0 437.496 4.623 50 0 IJAARN O=C(CCCCCCCCCC[C@H]1CCCO1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004023281 569458250 /nfs/dbraw/zinc/45/82/50/569458250.db2.gz NGAURBKPBYVXDO-VJBWXMMDSA-N 0 0 428.617 4.874 50 0 biogenic IJAARN CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 ZINC000031903470 569458310 /nfs/dbraw/zinc/45/83/10/569458310.db2.gz SFUBBJNJHWJHEO-NRFANRHFSA-N 0 0 444.579 4.522 50 0 IJAARN COc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc(Br)cc2)c1 ZINC000058970752 569458323 /nfs/dbraw/zinc/45/83/23/569458323.db2.gz FYFBWFWYNUNOMO-LLVKDONJSA-N 0 0 427.136 4.581 50 0 IJAARN O=C1Nc2c(cccc2Cl)[C@@]12CC(=O)Nc1c2cnn1-c1ccc(C(F)(F)F)cc1 ZINC000032069667 569459143 /nfs/dbraw/zinc/45/91/43/569459143.db2.gz BIPGBHRYEPIXRE-LJQANCHMSA-N 0 0 432.789 4.774 50 0 IJAARN Nc1cccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004123154 569460052 /nfs/dbraw/zinc/46/00/52/569460052.db2.gz CJDPVRWHCVZUND-QHCPKHFHSA-N 0 0 441.314 4.583 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)C1=O ZINC000004123132 569460076 /nfs/dbraw/zinc/46/00/76/569460076.db2.gz TXDIHJHMEZHTNS-MUUNZHRXSA-N 0 0 436.511 4.793 50 0 IJAARN Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)c1ccc(Cl)cc1 ZINC000032102781 569460193 /nfs/dbraw/zinc/46/01/93/569460193.db2.gz WXSAOUFZTCPPGQ-UHFFFAOYSA-N 0 0 448.935 4.926 50 0 IJAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F ZINC000059253952 569460601 /nfs/dbraw/zinc/46/06/01/569460601.db2.gz KFBLOPZGRSTLBT-UHFFFAOYSA-N 0 0 448.420 4.628 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1CCC1=CCCCC1 ZINC000004287722 569461845 /nfs/dbraw/zinc/46/18/45/569461845.db2.gz PTKGRWJYSZVKPC-UHFFFAOYSA-N 0 0 425.573 4.679 50 0 IJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000032537862 569461971 /nfs/dbraw/zinc/46/19/71/569461971.db2.gz ISADJRNDFDCIMU-UHFFFAOYSA-N 0 0 430.501 4.616 50 0 IJAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(N2CCCCCC2)cc1 ZINC000008161752 569462460 /nfs/dbraw/zinc/46/24/60/569462460.db2.gz HDSOTLYQLNCOAO-QFIPXVFZSA-N 0 0 427.614 4.748 50 0 IJAARN O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000038486324 569462726 /nfs/dbraw/zinc/46/27/26/569462726.db2.gz NYBLEHGVPBNCOR-UHFFFAOYSA-N 0 0 428.471 4.525 50 0 IJAARN CCc1cc([C@H](c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546035 569463425 /nfs/dbraw/zinc/46/34/25/569463425.db2.gz WWZIHVBERFKDAT-NRFANRHFSA-N 0 0 426.538 4.586 50 0 IJAARN Cc1cc([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546408 569463531 /nfs/dbraw/zinc/46/35/31/569463531.db2.gz SXSULZIUFRFREV-HXUWFJFHSA-N 0 0 429.973 4.892 50 0 IJAARN CCc1cc([C@H](c2ccc(OC)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546441 569463573 /nfs/dbraw/zinc/46/35/73/569463573.db2.gz ZGCWGOCJKZBWEB-QFIPXVFZSA-N 0 0 439.581 4.501 50 0 IJAARN CN(C(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)C1CCCCC1 ZINC000067207463 569464697 /nfs/dbraw/zinc/46/46/97/569464697.db2.gz OEOIJWHRAAANNP-UHFFFAOYSA-N 0 0 443.345 4.759 50 0 IJAARN CSc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 ZINC000067238101 569465577 /nfs/dbraw/zinc/46/55/77/569465577.db2.gz KVIFYXIPLNTDHA-UHFFFAOYSA-N 0 0 430.599 4.532 50 0 IJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000038652971 569465729 /nfs/dbraw/zinc/46/57/29/569465729.db2.gz DMMLUSJKDJVGFL-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN COc1ccc(-c2nc(C)cc(SCC(=O)NCCc3ccc(Cl)cc3)n2)cc1 ZINC000067257652 569466122 /nfs/dbraw/zinc/46/61/22/569466122.db2.gz VMUTXFUMWMORPV-UHFFFAOYSA-N 0 0 427.957 4.565 50 0 IJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)c(F)c2)c1 ZINC000067258660 569466128 /nfs/dbraw/zinc/46/61/28/569466128.db2.gz XCQCDAMWUVGJED-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2cc(F)cc(F)c2)c1 ZINC000067258961 569466210 /nfs/dbraw/zinc/46/62/10/569466210.db2.gz GEKYUYWXSYMLCZ-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN COc1cccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)c1 ZINC000067260382 569466332 /nfs/dbraw/zinc/46/63/32/569466332.db2.gz XOBJYEMBOVITEU-UHFFFAOYSA-N 0 0 436.518 4.602 50 0 IJAARN COc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1OC ZINC000067285277 569466834 /nfs/dbraw/zinc/46/68/34/569466834.db2.gz BYCNYGBCFRAXTG-UHFFFAOYSA-N 0 0 428.536 4.873 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000067288001 569467398 /nfs/dbraw/zinc/46/73/98/569467398.db2.gz VJLJRKMIZJTCTA-UHFFFAOYSA-N 0 0 438.934 4.590 50 0 IJAARN COc1ccc([C@H](C)Nc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288443 569467406 /nfs/dbraw/zinc/46/74/06/569467406.db2.gz LBRBKJDCHRQFNM-HNNXBMFYSA-N 0 0 425.916 4.542 50 0 IJAARN Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067292207 569467753 /nfs/dbraw/zinc/46/77/53/569467753.db2.gz JESSHNROMFKQGN-UEAMBXKFSA-N 0 0 441.325 4.645 50 0 IJAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000067293075 569467785 /nfs/dbraw/zinc/46/77/85/569467785.db2.gz DEJOZPYUXFGOCJ-ZLXSMEDCSA-N 0 0 447.318 4.889 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(Cl)c3C)oc21 ZINC000067294063 569467878 /nfs/dbraw/zinc/46/78/78/569467878.db2.gz QMKDZWOSYPKVAM-UYNDQYDWSA-N 0 0 426.900 4.544 50 0 IJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)cc1 ZINC000067297608 569468100 /nfs/dbraw/zinc/46/81/00/569468100.db2.gz SEZDNNSYDBMEQK-RFBIWTDZSA-N 0 0 428.444 4.697 50 0 IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 ZINC000008617814 569469395 /nfs/dbraw/zinc/46/93/95/569469395.db2.gz WMVXQZKARWXFOV-DEOSSOPVSA-N 0 0 441.531 4.998 50 0 IJAARN COc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2-c2ccccc2F)cc1 ZINC000008706926 569470569 /nfs/dbraw/zinc/47/05/69/569470569.db2.gz HMPSCYFEQXJMCZ-UHFFFAOYSA-N 0 0 429.517 4.701 50 0 IJAARN COc1ccc(OCc2nnc(SCC(C)=O)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000008708507 569470648 /nfs/dbraw/zinc/47/06/48/569470648.db2.gz MWAKHLSAHNQLHM-UHFFFAOYSA-N 0 0 437.443 4.555 50 0 IJAARN Fc1ccccc1-n1cnnc1SCc1nnc(-c2ccccc2Br)o1 ZINC000008710384 569470922 /nfs/dbraw/zinc/47/09/22/569470922.db2.gz CZOWGQFQGUJMRC-UHFFFAOYSA-N 0 0 432.278 4.511 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](c3cccs3)c3ccccc3)o2)cc1 ZINC000008718620 569471324 /nfs/dbraw/zinc/47/13/24/569471324.db2.gz PIFZUPAPRHCUHE-HXUWFJFHSA-N 0 0 437.546 4.805 50 0 IJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 ZINC000008721682 569471753 /nfs/dbraw/zinc/47/17/53/569471753.db2.gz HJFYFTVLVFKPAH-UHFFFAOYSA-N 0 0 445.548 4.726 50 0 IJAARN COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008724160 569471962 /nfs/dbraw/zinc/47/19/62/569471962.db2.gz DXOSIIFACJDFBE-ZDUSSCGKSA-N 0 0 446.370 4.645 50 0 IJAARN O=c1c2cc(Cl)ccc2ncn1Cc1cc(F)cc2c1O[C@@H](c1ccsc1)OC2 ZINC000008733845 569472544 /nfs/dbraw/zinc/47/25/44/569472544.db2.gz QWTSRRWSIYWJPP-NRFANRHFSA-N 0 0 428.872 4.907 50 0 IJAARN Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl ZINC000008735295 569472668 /nfs/dbraw/zinc/47/26/68/569472668.db2.gz TXXYWCYGQQDFRC-UHFFFAOYSA-N 0 0 446.931 4.861 50 0 IJAARN Cc1occc1-c1nnc(SCc2cc(=O)n3c(C)cccc3n2)n1Cc1ccccc1 ZINC000008747809 569473179 /nfs/dbraw/zinc/47/31/79/569473179.db2.gz LJBLQLZYCREMBP-UHFFFAOYSA-N 0 0 443.532 4.503 50 0 IJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008749737 569473266 /nfs/dbraw/zinc/47/32/66/569473266.db2.gz PDWXATPDQJVGQF-UHFFFAOYSA-N 0 0 447.560 4.631 50 0 IJAARN COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O ZINC000008750694 569473353 /nfs/dbraw/zinc/47/33/53/569473353.db2.gz MULHTXYUJVHFJG-QFIPXVFZSA-N 0 0 439.309 4.578 50 0 IJAARN COc1ccc(-c2nnc(SCc3cc(OC)c(OC)cc3Br)o2)cc1 ZINC000008756350 569474091 /nfs/dbraw/zinc/47/40/91/569474091.db2.gz BMIVLMOJRPAJHV-UHFFFAOYSA-N 0 0 437.315 4.817 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4ccc(CCO)cc4)c(=O)oc3c2C)c1C ZINC000008765089 569474660 /nfs/dbraw/zinc/47/46/60/569474660.db2.gz KHCCAFQOLQUEDW-UHFFFAOYSA-N 0 0 433.504 4.879 50 0 biogenic IJAARN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000008767151 569474869 /nfs/dbraw/zinc/47/48/69/569474869.db2.gz NTEMYDQUJKSLSW-SFHVURJKSA-N 0 0 429.929 4.537 50 0 IJAARN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000008767154 569474871 /nfs/dbraw/zinc/47/48/71/569474871.db2.gz NTEMYDQUJKSLSW-GOSISDBHSA-N 0 0 429.929 4.537 50 0 IJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000008769050 569474986 /nfs/dbraw/zinc/47/49/86/569474986.db2.gz IJLKONOWNUTPOM-UHFFFAOYSA-N 0 0 431.444 4.942 50 0 IJAARN O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000008780123 569475565 /nfs/dbraw/zinc/47/55/65/569475565.db2.gz TULXXAXAJZESOP-UHFFFAOYSA-N 0 0 433.537 4.908 50 0 IJAARN CC(C)CCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008789814 569476001 /nfs/dbraw/zinc/47/60/01/569476001.db2.gz CERDYJKHTQAUCM-IBVKSMDESA-N 0 0 449.982 4.899 50 0 biogenic IJAARN O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008791701 569476262 /nfs/dbraw/zinc/47/62/62/569476262.db2.gz LHPQSRRKPNSPDW-KGLIPLIRSA-N 0 0 429.303 4.675 50 0 biogenic IJAARN CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN31)C(=O)N2 ZINC000008798567 569476419 /nfs/dbraw/zinc/47/64/19/569476419.db2.gz HPNHTGFEJNSXNI-OZXSUGGESA-N 0 0 425.488 4.606 50 0 IJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nnc1-c1ccncc1 ZINC000008825410 569477371 /nfs/dbraw/zinc/47/73/71/569477371.db2.gz OGNHSESGALJHED-QGZVFWFLSA-N 0 0 447.568 4.534 50 0 IJAARN COCCn1c2ccccc2nc1SCc1nnc(-c2ccccc2Br)o1 ZINC000008826116 569477495 /nfs/dbraw/zinc/47/74/95/569477495.db2.gz WVODKRNVHBQTJK-UHFFFAOYSA-N 0 0 445.342 4.788 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000008836690 569478168 /nfs/dbraw/zinc/47/81/68/569478168.db2.gz PQBXYXROTBRQDF-KRWDZBQOSA-N 0 0 439.519 4.559 50 0 IJAARN COCCNc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000008850747 569479345 /nfs/dbraw/zinc/47/93/45/569479345.db2.gz AKYXPNZVOLFDNF-SSDOTTSWSA-N 0 0 441.793 4.676 50 0 IJAARN O=C(CSc1nc(CC(=O)Nc2cccc(Cl)c2)cs1)Nc1ccc(F)cc1 ZINC000008851976 569479477 /nfs/dbraw/zinc/47/94/77/569479477.db2.gz KONRRXPMVOKDOY-UHFFFAOYSA-N 0 0 435.933 4.848 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)c12 ZINC000008862082 569480096 /nfs/dbraw/zinc/48/00/96/569480096.db2.gz CDAZFAQVIWVWGN-QGZVFWFLSA-N 0 0 431.561 4.571 50 0 IJAARN Cc1ccc(S(=O)(=O)c2c(N)n(Cc3cccs3)c3nc4ccccc4nc32)cc1C ZINC000008871055 569480690 /nfs/dbraw/zinc/48/06/90/569480690.db2.gz GVSVCCNBEXZJEY-UHFFFAOYSA-N 0 0 448.573 4.726 50 0 IJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)c1 ZINC000008871416 569480755 /nfs/dbraw/zinc/48/07/55/569480755.db2.gz KDOXYKOMLWZQTR-LSDHHAIUSA-N 0 0 430.335 4.759 50 0 IJAARN COCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000008871862 569480899 /nfs/dbraw/zinc/48/08/99/569480899.db2.gz AVQKLQHILLSLBS-UHFFFAOYSA-N 0 0 445.537 4.579 50 0 IJAARN CC[C@H](c1nnc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccccc1)N(C)C ZINC000008880817 569481502 /nfs/dbraw/zinc/48/15/02/569481502.db2.gz DDENCLMRZCHNRQ-JOCHJYFZSA-N 0 0 432.597 4.817 50 0 IJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ncc(-c2ccccc2)o1 ZINC000039482277 569481643 /nfs/dbraw/zinc/48/16/43/569481643.db2.gz PSXFPPZHOIIHET-QFIPXVFZSA-N 0 0 426.472 4.946 50 0 IJAARN C[C@H](NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000039743658 569481873 /nfs/dbraw/zinc/48/18/73/569481873.db2.gz JLAODRRQHGDDDC-KRWDZBQOSA-N 0 0 444.487 4.504 50 0 IJAARN COc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000039844471 569481972 /nfs/dbraw/zinc/48/19/72/569481972.db2.gz XWNHMMPACJNPCS-UHFFFAOYSA-N 0 0 434.517 4.838 50 0 IJAARN CCc1ccc2nc(NC(=O)CCc3c(C)nc4nc(C(F)(F)F)nn4c3C)sc2c1 ZINC000040005093 569482448 /nfs/dbraw/zinc/48/24/48/569482448.db2.gz NGEQLZJWBXDVJJ-UHFFFAOYSA-N 0 0 448.474 4.503 50 0 IJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c12 ZINC000040024967 569482842 /nfs/dbraw/zinc/48/28/42/569482842.db2.gz FTGSPGAJPFBCEU-IBGZPJMESA-N 0 0 440.503 4.689 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 ZINC000040040078 569483405 /nfs/dbraw/zinc/48/34/05/569483405.db2.gz WTWCOLGKVSJQJP-FQEVSTJZSA-N 0 0 439.581 4.617 50 0 IJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc3cccnc32)c1 ZINC000008893727 569483633 /nfs/dbraw/zinc/48/36/33/569483633.db2.gz DTTTYIOCYIIURT-QGZVFWFLSA-N 0 0 443.528 4.627 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NCC(=O)Nc3c(C)cccc3C)cc12 ZINC000008901136 569484256 /nfs/dbraw/zinc/48/42/56/569484256.db2.gz UOIQPFPKBFBBDU-UHFFFAOYSA-N 0 0 446.576 4.748 50 0 IJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000040051008 569484335 /nfs/dbraw/zinc/48/43/35/569484335.db2.gz LOFUDGJBWKAGRC-GOSISDBHSA-N 0 0 428.941 4.973 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)s1 ZINC000008912641 569485057 /nfs/dbraw/zinc/48/50/57/569485057.db2.gz UHPVODDKAPWQMT-UHFFFAOYSA-N 0 0 429.977 4.763 50 0 IJAARN C[C@H](NC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)c1ccc2c(c1)OCCO2 ZINC000008912731 569485118 /nfs/dbraw/zinc/48/51/18/569485118.db2.gz SRLXJINZCMYANF-INIZCTEOSA-N 0 0 437.565 4.795 50 0 IJAARN CCc1ccccc1NC(=O)Cn1c2cnccc2nc1SCc1ccc(OC)cc1 ZINC000008913157 569485229 /nfs/dbraw/zinc/48/52/29/569485229.db2.gz HJYROYKILWMQBD-UHFFFAOYSA-N 0 0 432.549 4.933 50 0 IJAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(OC)c2)cc1 ZINC000008913400 569485331 /nfs/dbraw/zinc/48/53/31/569485331.db2.gz CJMWNGIBANNOSI-UHFFFAOYSA-N 0 0 446.576 4.920 50 0 IJAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCCOc1ccc(Cl)c(C)c1)CC3 ZINC000040070936 569485657 /nfs/dbraw/zinc/48/56/57/569485657.db2.gz YTIPBWGNACXMLF-UHFFFAOYSA-N 0 0 440.927 4.660 50 0 IJAARN COc1cccc(-c2nc(C(=O)NCc3cccnc3)cc3c4ccccc4[nH]c32)c1OC ZINC000008918597 569486356 /nfs/dbraw/zinc/48/63/56/569486356.db2.gz IEDRAVGYWALGLX-UHFFFAOYSA-N 0 0 438.487 4.725 50 0 biogenic IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@@](=O)C3)c(C)c1 ZINC000008918916 569486405 /nfs/dbraw/zinc/48/64/05/569486405.db2.gz QCUDVRGUAZTONW-PMERELPUSA-N 0 0 433.455 4.523 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000008920294 569486444 /nfs/dbraw/zinc/48/64/44/569486444.db2.gz CEDFPADUFBABBM-HSZRJFAPSA-N 0 0 444.369 4.982 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1C ZINC000008920630 569486546 /nfs/dbraw/zinc/48/65/46/569486546.db2.gz WCVNMCGSWYDSED-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000008921305 569486782 /nfs/dbraw/zinc/48/67/82/569486782.db2.gz DUCWBHHHUQRDCE-UHFFFAOYSA-N 0 0 429.549 4.781 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccccc3Cl)n2)cc1OC ZINC000008937147 569488075 /nfs/dbraw/zinc/48/80/75/569488075.db2.gz UNJWUJQDYMCFOJ-ZDUSSCGKSA-N 0 0 431.945 4.770 50 0 IJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000040104028 569488082 /nfs/dbraw/zinc/48/80/82/569488082.db2.gz ZFBFWXQPWUNRQO-HNNXBMFYSA-N 0 0 429.542 4.735 50 0 IJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3cc(=O)n4c(C)csc4n3)nc(=O)c12 ZINC000008943405 569488772 /nfs/dbraw/zinc/48/87/72/569488772.db2.gz PJEOGLZFDOCKDN-JTQLQIEISA-N 0 0 446.623 4.552 50 0 IJAARN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccc(Cn2cccn2)cc1 ZINC000040119324 569489330 /nfs/dbraw/zinc/48/93/30/569489330.db2.gz GOFMZJAJSOPJDE-XMMPIXPASA-N 0 0 439.494 4.592 50 0 IJAARN CCC(CC)c1nnc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)s1 ZINC000040129350 569489818 /nfs/dbraw/zinc/48/98/18/569489818.db2.gz CAFKLMAUIGCYPJ-UHFFFAOYSA-N 0 0 429.567 4.668 50 0 IJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(F)c(F)c1F ZINC000040134509 569490563 /nfs/dbraw/zinc/49/05/63/569490563.db2.gz UDGAJVXRDMENKD-UHFFFAOYSA-N 0 0 428.336 4.501 50 0 IJAARN O=C(NCc1ccc(OC(F)(F)F)cc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000040139380 569490921 /nfs/dbraw/zinc/49/09/21/569490921.db2.gz HAQNKEAVRTYOGK-FQEVSTJZSA-N 0 0 443.425 4.764 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 ZINC000008961390 569491032 /nfs/dbraw/zinc/49/10/32/569491032.db2.gz XQERFJJUQQWYNL-UHFFFAOYSA-N 0 0 444.896 4.898 50 0 IJAARN Cc1cccnc1NC(=O)C1CCN(c2nc(C)nc3sc4c(c32)CCCCC4)CC1 ZINC000040149380 569492452 /nfs/dbraw/zinc/49/24/52/569492452.db2.gz LKOOECREXBBPQC-UHFFFAOYSA-N 0 0 435.597 4.827 50 0 IJAARN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000008974096 569492840 /nfs/dbraw/zinc/49/28/40/569492840.db2.gz YSXANPVRTDJQLT-UHFFFAOYSA-N 0 0 445.537 4.643 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977304 569493028 /nfs/dbraw/zinc/49/30/28/569493028.db2.gz ZAMJUAFDRFBVDA-UHFFFAOYSA-N 0 0 440.590 4.871 50 0 IJAARN CC(C)N(C[C@H]1CCCN(C(=O)c2cccc(Br)c2)C1)C(=O)OC(C)(C)C ZINC000040153022 569493525 /nfs/dbraw/zinc/49/35/25/569493525.db2.gz NCBRFJOBIOMTKF-INIZCTEOSA-N 0 0 439.394 4.947 50 0 IJAARN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)[C@H]1Cc2ccccc2O1 ZINC000040154984 569493787 /nfs/dbraw/zinc/49/37/87/569493787.db2.gz QUIFINMMCYXHEL-NHCUHLMSSA-N 0 0 426.285 4.798 50 0 IJAARN Cc1cccc(Oc2ncccc2NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1C ZINC000040155326 569493898 /nfs/dbraw/zinc/49/38/98/569493898.db2.gz ZUAHTTINAJHFNO-UHFFFAOYSA-N 0 0 447.516 4.938 50 0 IJAARN COC(=O)N1CCc2cc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000040157618 569494282 /nfs/dbraw/zinc/49/42/82/569494282.db2.gz UIBCHLHGADHQGG-UHFFFAOYSA-N 0 0 425.872 4.695 50 0 IJAARN CC(=O)Nc1cccc(CN2C(=O)[C@@H](Oc3ccccc3F)[C@@H]2c2cc(F)ccc2F)c1 ZINC000040157771 569494371 /nfs/dbraw/zinc/49/43/71/569494371.db2.gz XSRYKYCMQKYMQB-GOTSBHOMSA-N 0 0 440.421 4.593 50 0 IJAARN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)c1 ZINC000040158550 569494602 /nfs/dbraw/zinc/49/46/02/569494602.db2.gz ZRPPDRCUKJZDPI-SFHVURJKSA-N 0 0 437.565 4.799 50 0 IJAARN COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)n1C ZINC000008983080 569494622 /nfs/dbraw/zinc/49/46/22/569494622.db2.gz NLRPYCNPNBVSQZ-UHFFFAOYSA-N 0 0 446.576 4.932 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000008988504 569494978 /nfs/dbraw/zinc/49/49/78/569494978.db2.gz ISIJRCKTAHPVLO-UHFFFAOYSA-N 0 0 434.974 4.851 50 0 IJAARN COc1ccc(-c2noc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008995247 569495629 /nfs/dbraw/zinc/49/56/29/569495629.db2.gz CCUNUARHKVTYRH-UHFFFAOYSA-N 0 0 427.504 4.926 50 0 IJAARN C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccncc1 ZINC000008995543 569495636 /nfs/dbraw/zinc/49/56/36/569495636.db2.gz HBSBTKFXRAHFBM-HNNXBMFYSA-N 0 0 434.879 4.592 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008995793 569495680 /nfs/dbraw/zinc/49/56/80/569495680.db2.gz VOUMNOKENWEYPP-LJQANCHMSA-N 0 0 447.915 4.569 50 0 IJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2C2CCCC2)cc1 ZINC000009056357 569499016 /nfs/dbraw/zinc/49/90/16/569499016.db2.gz XOWZPDUSGSISRV-HXUWFJFHSA-N 0 0 442.629 4.745 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n1C1CC1 ZINC000009056327 569499040 /nfs/dbraw/zinc/49/90/40/569499040.db2.gz CEJJCLCFCWYMID-UHFFFAOYSA-N 0 0 430.537 4.505 50 0 IJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)COC)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000040389063 569500966 /nfs/dbraw/zinc/50/09/66/569500966.db2.gz JXWQIZSPTUOKNX-LJQANCHMSA-N 0 0 439.600 4.864 50 0 IJAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009095345 569501353 /nfs/dbraw/zinc/50/13/53/569501353.db2.gz QBTZVEHNYBLQPZ-UHFFFAOYSA-N 0 0 446.743 4.908 50 0 IJAARN CC(=O)Nc1ccc2nc(NC(=O)CSc3ccc(Br)cc3)sc2c1 ZINC000009096074 569501389 /nfs/dbraw/zinc/50/13/89/569501389.db2.gz IVKACOIZVJOVCX-UHFFFAOYSA-N 0 0 436.356 4.748 50 0 IJAARN COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)Nc2cccc(F)c2)cc1 ZINC000009101117 569501736 /nfs/dbraw/zinc/50/17/36/569501736.db2.gz YONKVUARNAHCBF-QGZVFWFLSA-N 0 0 425.485 4.602 50 0 IJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000009115622 569502762 /nfs/dbraw/zinc/50/27/62/569502762.db2.gz WKYFODVDMUMHHS-UHFFFAOYSA-N 0 0 443.878 4.803 50 0 IJAARN COc1ccc(Cn2c3c4ccccc4oc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000009116546 569502967 /nfs/dbraw/zinc/50/29/67/569502967.db2.gz JZNULJITYPLUFC-UHFFFAOYSA-N 0 0 426.472 4.572 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NCCC5=CCCCC5)C4)sc3n2)cc1 ZINC000009117523 569503181 /nfs/dbraw/zinc/50/31/81/569503181.db2.gz IQROPGNGKKGDLK-OAQYLSRUSA-N 0 0 449.624 4.989 50 0 IJAARN CCCC[C@@H](CC)C(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C ZINC000245326644 569503724 /nfs/dbraw/zinc/50/37/24/569503724.db2.gz GQVLARWRTFCDQP-IAGOWNOFSA-N 0 0 432.515 4.801 50 0 IJAARN CN1C(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C(=O)C12CCCCC2 ZINC000009125053 569504546 /nfs/dbraw/zinc/50/45/46/569504546.db2.gz ZQYUCCNOFJYHMH-UHFFFAOYSA-N 0 0 437.565 4.514 50 0 IJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000009125993 569504733 /nfs/dbraw/zinc/50/47/33/569504733.db2.gz WOYUZSKBFUGYHG-HNNXBMFYSA-N 0 0 426.460 4.799 50 0 IJAARN CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009125948 569504737 /nfs/dbraw/zinc/50/47/37/569504737.db2.gz QEVBWBLTJGOEQA-AUUYWEPGSA-N 0 0 441.622 4.524 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1OC ZINC000009126239 569504864 /nfs/dbraw/zinc/50/48/64/569504864.db2.gz SKKVSAMKHBBYMR-UHFFFAOYSA-N 0 0 426.523 4.955 50 0 IJAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1=O ZINC000009126482 569504930 /nfs/dbraw/zinc/50/49/30/569504930.db2.gz FSDLJFJLUBFQJO-GJZGRUSLSA-N 0 0 430.932 4.862 50 0 IJAARN CC(C)(C)NC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000009126592 569504965 /nfs/dbraw/zinc/50/49/65/569504965.db2.gz HNHDXZSBWMCJOG-UHFFFAOYSA-N 0 0 429.514 4.722 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc2ccccc2n1 ZINC000009129355 569505707 /nfs/dbraw/zinc/50/57/07/569505707.db2.gz XFLAUFJNMALQCB-UHFFFAOYSA-N 0 0 437.908 4.941 50 0 IJAARN O=C(NC1CCCC1)[C@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(Br)cc1 ZINC000009129927 569505945 /nfs/dbraw/zinc/50/59/45/569505945.db2.gz UVLRYPZDEIHFRU-NSFRLNINSA-N 0 0 439.353 4.697 50 0 IJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Br)s3)s2)cc1 ZINC000009130909 569506202 /nfs/dbraw/zinc/50/62/02/569506202.db2.gz OARCZYKQPXBLNN-UHFFFAOYSA-N 0 0 442.389 4.540 50 0 IJAARN C[C@H](Nc1ccccc1-c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009130982 569506925 /nfs/dbraw/zinc/50/69/25/569506925.db2.gz PNXUDLZEJSWBBY-IBGZPJMESA-N 0 0 449.576 4.577 50 0 IJAARN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000009138256 569507150 /nfs/dbraw/zinc/50/71/50/569507150.db2.gz YYXQBHNUYBVOKK-UHFFFAOYSA-N 0 0 437.005 4.670 50 0 IJAARN CCN(Cc1ccccc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151373 569507439 /nfs/dbraw/zinc/50/74/39/569507439.db2.gz OKRAARQAUCBPKL-UHFFFAOYSA-N 0 0 434.540 4.911 50 0 IJAARN COc1ccc(OC)c(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])c1 ZINC000009152417 569507805 /nfs/dbraw/zinc/50/78/05/569507805.db2.gz HFOZKSGIBMGVQL-UHFFFAOYSA-N 0 0 430.504 4.695 50 0 IJAARN CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000009155839 569508297 /nfs/dbraw/zinc/50/82/97/569508297.db2.gz PUORSTWFSIQIMC-VWLOTQADSA-N 0 0 444.531 4.971 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000069586585 569508394 /nfs/dbraw/zinc/50/83/94/569508394.db2.gz PAKMKMPFXUUZOW-UHFFFAOYSA-N 0 0 437.899 4.526 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccccc3)cn2N)cs1 ZINC000009157051 569508402 /nfs/dbraw/zinc/50/84/02/569508402.db2.gz BSJDAEPNQAMDHN-UHFFFAOYSA-N 0 0 435.578 4.502 50 0 IJAARN CC(=O)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000009159542 569508642 /nfs/dbraw/zinc/50/86/42/569508642.db2.gz LEHDGEHPOHUFBQ-GFQWBHFJSA-N 0 0 448.522 4.639 50 0 IJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1C(=O)N(C)C1CCCCC1 ZINC000009169012 569509177 /nfs/dbraw/zinc/50/91/77/569509177.db2.gz LDTLSVLNGIIAJU-UHFFFAOYSA-N 0 0 436.552 4.525 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169506 569509268 /nfs/dbraw/zinc/50/92/68/569509268.db2.gz GLESJJCKDWWFAM-UHFFFAOYSA-N 0 0 448.560 4.733 50 0 IJAARN CCCN1c2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009171825 569509475 /nfs/dbraw/zinc/50/94/75/569509475.db2.gz REJIJXOXDRYPSA-UHFFFAOYSA-N 0 0 430.570 4.574 50 0 IJAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000009172906 569509561 /nfs/dbraw/zinc/50/95/61/569509561.db2.gz KIVRXXCPASUUBQ-JOCHJYFZSA-N 0 0 432.549 4.613 50 0 IJAARN Cc1ccc(-c2cn3ccccc3n2)cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000009184815 569510019 /nfs/dbraw/zinc/51/00/19/569510019.db2.gz YJJJNHUXQIZKCQ-UHFFFAOYSA-N 0 0 442.338 4.873 50 0 IJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000069626288 569510484 /nfs/dbraw/zinc/51/04/84/569510484.db2.gz ZDEVGGKIPWUSRA-UHFFFAOYSA-N 0 0 426.538 4.710 50 0 IJAARN O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000009191257 569510661 /nfs/dbraw/zinc/51/06/61/569510661.db2.gz WBCGMUKROCJLOY-UHFFFAOYSA-N 0 0 437.543 4.545 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OCC ZINC000009194992 569510945 /nfs/dbraw/zinc/51/09/45/569510945.db2.gz YPFXLARISSRMTO-UHFFFAOYSA-N 0 0 445.903 4.822 50 0 IJAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(NC(=O)c4cccs4)nc3N2)cc1 ZINC000009209443 569511561 /nfs/dbraw/zinc/51/15/61/569511561.db2.gz KIXOQLCUOMHEKT-RBUKOAKNSA-N 0 0 449.511 4.886 50 0 IJAARN CCCCc1noc(CN2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069655180 569511641 /nfs/dbraw/zinc/51/16/41/569511641.db2.gz GXKXNMQYMGXTFX-KRWDZBQOSA-N 0 0 427.936 4.885 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212119 569511970 /nfs/dbraw/zinc/51/19/70/569511970.db2.gz USVRBUOJKVUHHQ-UHFFFAOYSA-N 0 0 440.565 4.708 50 0 IJAARN COCCCNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1 ZINC000009216138 569512091 /nfs/dbraw/zinc/51/20/91/569512091.db2.gz UAPYSSVDNPFKGS-UHFFFAOYSA-N 0 0 439.895 4.863 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)c1C ZINC000009218794 569512410 /nfs/dbraw/zinc/51/24/10/569512410.db2.gz MYSWCEDYHNJRAW-JTQLQIEISA-N 0 0 441.340 4.521 50 0 IJAARN CN([C@@H](c1nccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000009219799 569512466 /nfs/dbraw/zinc/51/24/66/569512466.db2.gz UCWQZOKYDDUWML-QGZVFWFLSA-N 0 0 444.771 4.790 50 0 IJAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCCSc2ccccc21 ZINC000009223739 569513018 /nfs/dbraw/zinc/51/30/18/569513018.db2.gz RFJKXUFYPRFEOB-UHFFFAOYSA-N 0 0 427.529 4.587 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000009223584 569513022 /nfs/dbraw/zinc/51/30/22/569513022.db2.gz JABQHBWQZWXEPF-GOSISDBHSA-N 0 0 428.554 4.804 50 0 IJAARN CC(C)CCNC(=O)c1cnn(-c2ccccc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227851 569513533 /nfs/dbraw/zinc/51/35/33/569513533.db2.gz YGVABOJGODEAGQ-UHFFFAOYSA-N 0 0 440.588 4.763 50 0 IJAARN Cc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000009237182 569514208 /nfs/dbraw/zinc/51/42/08/569514208.db2.gz FGMDXZWIBYWVEE-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238232 569514247 /nfs/dbraw/zinc/51/42/47/569514247.db2.gz LJEAZOHRZGQROK-WOJBJXKFSA-N 0 0 447.951 4.996 50 0 IJAARN O=C(Nc1ccccc1Cl)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238286 569514327 /nfs/dbraw/zinc/51/43/27/569514327.db2.gz LLZQJIISQSTCHP-WOJBJXKFSA-N 0 0 447.951 4.996 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239566 569514546 /nfs/dbraw/zinc/51/45/46/569514546.db2.gz WWWPBXUYFAKFAA-ZWKOTPCHSA-N 0 0 447.486 4.647 50 0 IJAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc(OC)c1OC ZINC000009246299 569515413 /nfs/dbraw/zinc/51/54/13/569515413.db2.gz XSYANZDDGWGNCK-ZDUSSCGKSA-N 0 0 428.554 4.828 50 0 IJAARN CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2ccc(OC)cc21 ZINC000009271736 569517813 /nfs/dbraw/zinc/51/78/13/569517813.db2.gz BZXDHIAMABDNQW-UHFFFAOYSA-N 0 0 435.261 4.729 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3cccc(F)c3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274774 569518195 /nfs/dbraw/zinc/51/81/95/569518195.db2.gz ABBRUBCKMPIMIQ-UHFFFAOYSA-N 0 0 436.458 4.964 50 0 IJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1OC ZINC000009280829 569518557 /nfs/dbraw/zinc/51/85/57/569518557.db2.gz NDPCFMOMXJCDSX-NRFANRHFSA-N 0 0 448.862 4.608 50 0 IJAARN CCn1c(SCc2nc3ccc(Cl)cc3n2CCO)nnc1-c1ccc(Cl)cc1 ZINC000009283792 569518988 /nfs/dbraw/zinc/51/89/88/569518988.db2.gz JGIMBEHBDSHPII-UHFFFAOYSA-N 0 0 448.379 4.906 50 0 IJAARN Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000009284345 569519048 /nfs/dbraw/zinc/51/90/48/569519048.db2.gz KJXADODRRMORTP-UHFFFAOYSA-N 0 0 441.530 4.555 50 0 IJAARN COc1ccc(/C=C/C(=O)n2nc(-c3cccnc3)nc2NCc2cccc(Cl)c2)cc1 ZINC000009288840 569519421 /nfs/dbraw/zinc/51/94/21/569519421.db2.gz GCDHWERTMOCOCX-FMIVXFBMSA-N 0 0 445.910 4.968 50 0 IJAARN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289157 569519559 /nfs/dbraw/zinc/51/95/59/569519559.db2.gz UDVUBPIPRFJEDY-KRWDZBQOSA-N 0 0 425.941 4.841 50 0 IJAARN CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(Cl)cc1Cl ZINC000009290113 569519714 /nfs/dbraw/zinc/51/97/14/569519714.db2.gz XTKKOLCVVPGCQR-MRVPVSSYSA-N 0 0 443.385 4.551 50 0 IJAARN CC(C)(C)c1nc(CN2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)no1 ZINC000069848088 569521683 /nfs/dbraw/zinc/52/16/83/569521683.db2.gz PYAVNUGTNYSREC-MRXNPFEDSA-N 0 0 427.936 4.840 50 0 IJAARN CC(C)(C)c1ccc(OCCCC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000009313699 569522009 /nfs/dbraw/zinc/52/20/09/569522009.db2.gz XWHLAKCKJSKIHQ-UHFFFAOYSA-N 0 0 435.568 4.650 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000009337777 569523550 /nfs/dbraw/zinc/52/35/50/569523550.db2.gz DLUACJQMTQKMPW-QHCPKHFHSA-N 0 0 436.508 4.865 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000009338571 569523662 /nfs/dbraw/zinc/52/36/62/569523662.db2.gz KDYIUMVSMKLCKD-UHFFFAOYSA-N 0 0 438.531 4.687 50 0 IJAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000009344378 569524036 /nfs/dbraw/zinc/52/40/36/569524036.db2.gz FMSTZFAFMSJVEQ-HNNXBMFYSA-N 0 0 425.938 4.920 50 0 IJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 ZINC000069927521 569524084 /nfs/dbraw/zinc/52/40/84/569524084.db2.gz WDHNVJQWBTVFFK-HSZRJFAPSA-N 0 0 434.536 4.524 50 0 IJAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(OC(C)C)c2)N(c2nccs2)C1=O ZINC000009348627 569524502 /nfs/dbraw/zinc/52/45/02/569524502.db2.gz AITSGTBZNXOIKY-HXUWFJFHSA-N 0 0 448.500 4.795 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CN3CCc4cc5c(cc4C3)OCCCO5)cc2)cc1 ZINC000009348797 569524588 /nfs/dbraw/zinc/52/45/88/569524588.db2.gz VLLXSAKIURTJAJ-UHFFFAOYSA-N 0 0 444.531 4.945 50 0 IJAARN COCCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2cc(Cl)ccc2c1=O ZINC000009354369 569525033 /nfs/dbraw/zinc/52/50/33/569525033.db2.gz CNAGLCVJPZIWRG-OAHLLOKOSA-N 0 0 430.957 4.677 50 0 IJAARN CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3\NC(=S)NC3=O)cc2c1 ZINC000009355045 569525188 /nfs/dbraw/zinc/52/51/88/569525188.db2.gz FYZLWXNLYOYHPV-WQRHYEAKSA-N 0 0 441.965 4.783 50 0 IJAARN CCC(CC)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000009365533 569526154 /nfs/dbraw/zinc/52/61/54/569526154.db2.gz DSJYDWNKAFRPHA-UHFFFAOYSA-N 0 0 432.493 4.662 50 0 IJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000009365477 569526175 /nfs/dbraw/zinc/52/61/75/569526175.db2.gz GDPWZSJYYAJVOV-UHFFFAOYSA-N 0 0 440.636 4.771 50 0 IJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009365983 569526223 /nfs/dbraw/zinc/52/62/23/569526223.db2.gz KFTYQZHKQZQLEO-MGPUTAFESA-N 0 0 438.622 4.940 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)cc1 ZINC000009372975 569526972 /nfs/dbraw/zinc/52/69/72/569526972.db2.gz HYGXYQSQCJPQIY-UHFFFAOYSA-N 0 0 442.353 4.723 50 0 IJAARN CCOC(=O)c1c(NC(=O)CSc2nccn2C)sc(C)c1-c1ccc(C)cc1 ZINC000009373434 569527061 /nfs/dbraw/zinc/52/70/61/569527061.db2.gz FOHFRNUEOMINFJ-UHFFFAOYSA-N 0 0 429.567 4.673 50 0 IJAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccc2c(c1)OCO2 ZINC000009394338 569529141 /nfs/dbraw/zinc/52/91/41/569529141.db2.gz DTASUEWNNJAWTB-UHFFFAOYSA-N 0 0 430.529 4.827 50 0 IJAARN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(Cl)cc1 ZINC000009395111 569529149 /nfs/dbraw/zinc/52/91/49/569529149.db2.gz SZQQFBZMJUGDQH-UHFFFAOYSA-N 0 0 431.005 4.796 50 0 IJAARN CCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000009398839 569529284 /nfs/dbraw/zinc/52/92/84/569529284.db2.gz ZWRBRHABRAOLSA-GJZGRUSLSA-N 0 0 429.973 4.818 50 0 IJAARN CC(C)c1cc(C(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc2n1 ZINC000070040652 569529403 /nfs/dbraw/zinc/52/94/03/569529403.db2.gz QXXKLFXTXLLXGF-UHFFFAOYSA-N 0 0 445.607 4.859 50 0 IJAARN CCN(C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1)c1cccc(Cl)c1 ZINC000009405517 569529928 /nfs/dbraw/zinc/52/99/28/569529928.db2.gz GBTDPGUQNGBSBZ-UHFFFAOYSA-N 0 0 440.931 4.668 50 0 IJAARN CCOc1ccc(-c2cc(NC(=O)c3ccc(OC)c(OC)c3)c(C(=O)OC)s2)cc1 ZINC000009407347 569530258 /nfs/dbraw/zinc/53/02/58/569530258.db2.gz ADXDPUMCKFNYKZ-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN Cc1ccc(S(=O)(=O)NC[C@@H](Nc2ccccc2Br)c2ccccc2)cc1 ZINC000009408708 569530624 /nfs/dbraw/zinc/53/06/24/569530624.db2.gz IZUHTJQKMCRPLW-OAQYLSRUSA-N 0 0 445.382 4.889 50 0 IJAARN CC(=O)c1cccc(NC(=O)Cc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1 ZINC000009408622 569530669 /nfs/dbraw/zinc/53/06/69/569530669.db2.gz LBLPAAYNQFCTOJ-UHFFFAOYSA-N 0 0 430.483 4.844 50 0 IJAARN CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408910 569530740 /nfs/dbraw/zinc/53/07/40/569530740.db2.gz XNARGZFWVCNTQI-UUOWRZLLSA-N 0 0 431.536 4.804 50 0 IJAARN CCCOc1ccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000009408990 569530802 /nfs/dbraw/zinc/53/08/02/569530802.db2.gz JRTHSWZGOBNTTR-DEOSSOPVSA-N 0 0 429.476 4.910 50 0 IJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC ZINC000009409236 569530892 /nfs/dbraw/zinc/53/08/92/569530892.db2.gz QUWSNEPGDJGLSE-DEOSSOPVSA-N 0 0 435.524 4.925 50 0 IJAARN CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)c1 ZINC000009409119 569530898 /nfs/dbraw/zinc/53/08/98/569530898.db2.gz MRMCHFNYEXYBPS-RUZDIDTESA-N 0 0 449.551 4.931 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@@](=O)C3)c(C)c1 ZINC000009413709 569531822 /nfs/dbraw/zinc/53/18/22/569531822.db2.gz RTPUGGLJMFKACL-NDEPHWFRSA-N 0 0 434.348 4.811 50 0 IJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@@](=O)C3)c1C ZINC000009413702 569531836 /nfs/dbraw/zinc/53/18/36/569531836.db2.gz SWKSAJIOKBQTDC-NDEPHWFRSA-N 0 0 434.348 4.811 50 0 IJAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1cccc(C(F)(F)F)c1 ZINC000009415037 569532123 /nfs/dbraw/zinc/53/21/23/569532123.db2.gz MIPNSFMHEZVGHK-UHFFFAOYSA-N 0 0 447.417 4.680 50 0 IJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(Br)cn5)c4ncn3n2)cc1 ZINC000009423007 569532951 /nfs/dbraw/zinc/53/29/51/569532951.db2.gz QHFRFYSKNMVZIT-UHFFFAOYSA-N 0 0 449.312 4.518 50 0 IJAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(C)cc1 ZINC000009424057 569532997 /nfs/dbraw/zinc/53/29/97/569532997.db2.gz HPYMWSIKIZIJNP-BUVRLJJBSA-N 0 0 442.540 4.743 50 0 IJAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009426406 569533340 /nfs/dbraw/zinc/53/33/40/569533340.db2.gz SWSOAZXTWACFIX-UHFFFAOYSA-N 0 0 426.325 4.563 50 0 IJAARN Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2c(C)c1 ZINC000009430881 569534046 /nfs/dbraw/zinc/53/40/46/569534046.db2.gz CXSRPIQKPCICHC-UHFFFAOYSA-N 0 0 440.565 4.796 50 0 IJAARN CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)cc1 ZINC000009432620 569534422 /nfs/dbraw/zinc/53/44/22/569534422.db2.gz NUFHUILKUUQIBM-GOTSBHOMSA-N 0 0 434.561 4.876 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)cc(C)c2)[C@H]1c1cccs1 ZINC000009432893 569534450 /nfs/dbraw/zinc/53/44/50/569534450.db2.gz YUNBEFNDMDBMPR-DHIUTWEWSA-N 0 0 434.561 4.931 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000009432795 569534473 /nfs/dbraw/zinc/53/44/73/569534473.db2.gz MTCUUAUVBHHYNC-LEWJYISDSA-N 0 0 440.952 4.967 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)[C@@H]1c1cccs1 ZINC000009432820 569534478 /nfs/dbraw/zinc/53/44/78/569534478.db2.gz MFBDSJKCAVNWLU-GOTSBHOMSA-N 0 0 448.544 4.517 50 0 IJAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1cccs1 ZINC000009440378 569535185 /nfs/dbraw/zinc/53/51/85/569535185.db2.gz MRUZFKFNSARDRV-LJQANCHMSA-N 0 0 435.530 4.816 50 0 IJAARN Fc1ccccc1-c1nnc(SCc2cn3cccnc3n2)n1CCc1ccccc1 ZINC000009441413 569535356 /nfs/dbraw/zinc/53/53/56/569535356.db2.gz XXRFFWQEQFMMAY-UHFFFAOYSA-N 0 0 430.512 4.662 50 0 IJAARN COCCCn1c(SCc2cn3c(n2)nc(C)cc3C)nnc1-c1ccccc1Cl ZINC000009441407 569535361 /nfs/dbraw/zinc/53/53/61/569535361.db2.gz AYMDJTXWTARVTF-UHFFFAOYSA-N 0 0 442.976 4.587 50 0 IJAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OCc1ccccc1 ZINC000009441463 569535385 /nfs/dbraw/zinc/53/53/85/569535385.db2.gz ORRFPVFCOAFAGS-XMMPIXPASA-N 0 0 443.503 4.541 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)cc2)cc1 ZINC000009446638 569535950 /nfs/dbraw/zinc/53/59/50/569535950.db2.gz DLZKACRWTNMZTD-DEOSSOPVSA-N 0 0 439.515 4.956 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cs1 ZINC000009446635 569535970 /nfs/dbraw/zinc/53/59/70/569535970.db2.gz RAUGUMJUEHYJNV-UHFFFAOYSA-N 0 0 446.576 4.822 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(cccc3C)s2)ccc1Cl ZINC000009460005 569536910 /nfs/dbraw/zinc/53/69/10/569536910.db2.gz VUPLOKKNPWDBQL-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000009463155 569537364 /nfs/dbraw/zinc/53/73/64/569537364.db2.gz LLDXJSULLRTGKI-UHFFFAOYSA-N 0 0 438.915 4.739 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000009466574 569538208 /nfs/dbraw/zinc/53/82/08/569538208.db2.gz CMUQMWOAXADYCP-AWEZNQCLSA-N 0 0 443.941 4.736 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)CC1 ZINC000009473348 569539050 /nfs/dbraw/zinc/53/90/50/569539050.db2.gz YZMJRRRPUPABQB-UHFFFAOYSA-N 0 0 441.528 4.621 50 0 IJAARN COc1ccc(CNc2nc(SCC(=O)N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000009474948 569539109 /nfs/dbraw/zinc/53/91/09/569539109.db2.gz HVKLHZRWMFWOJV-UHFFFAOYSA-N 0 0 436.581 4.601 50 0 IJAARN Cc1cc(=O)oc2cc(OCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)ccc12 ZINC000009477833 569539245 /nfs/dbraw/zinc/53/92/45/569539245.db2.gz QLKHYXRYPVKFFR-VWLOTQADSA-N 0 0 431.513 4.716 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000009491464 569540373 /nfs/dbraw/zinc/54/03/73/569540373.db2.gz VXFJSIMYXWZSEL-UHFFFAOYSA-N 0 0 449.576 4.740 50 0 IJAARN O=C(Nc1ccccc1C(O)(c1ccccc1)c1ccccc1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000009493039 569540695 /nfs/dbraw/zinc/54/06/95/569540695.db2.gz YRYVJBDWLYVRBM-AREMUKBSSA-N 0 0 449.506 4.691 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009496521 569541218 /nfs/dbraw/zinc/54/12/18/569541218.db2.gz UUUPLDVNNUREFN-IBGZPJMESA-N 0 0 438.329 4.585 50 0 IJAARN Cc1nc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(Cl)cc1Cl ZINC000009499054 569541441 /nfs/dbraw/zinc/54/14/41/569541441.db2.gz FLDILERHEGJUQL-UHFFFAOYSA-N 0 0 434.352 4.886 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2sccc21)c1ccccc1 ZINC000009500752 569541564 /nfs/dbraw/zinc/54/15/64/569541564.db2.gz FKUOSRHNHPEVQC-OAHLLOKOSA-N 0 0 448.573 4.913 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000009507095 569541956 /nfs/dbraw/zinc/54/19/56/569541956.db2.gz UUGSCHMCCGBKDE-UHFFFAOYSA-N 0 0 438.455 4.503 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000009513989 569543141 /nfs/dbraw/zinc/54/31/41/569543141.db2.gz LJBNKIFYDFJUEP-OAHLLOKOSA-N 0 0 426.973 4.827 50 0 IJAARN C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc21 ZINC000009516115 569543456 /nfs/dbraw/zinc/54/34/56/569543456.db2.gz WVRZNELFEUZZJW-OAHLLOKOSA-N 0 0 444.516 4.617 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)cc1OC ZINC000009518451 569544106 /nfs/dbraw/zinc/54/41/06/569544106.db2.gz BWGGEPVBXPGPJE-UHFFFAOYSA-N 0 0 436.489 4.945 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 ZINC000009518809 569544145 /nfs/dbraw/zinc/54/41/45/569544145.db2.gz VFJNXVOPTBCMNM-UHFFFAOYSA-N 0 0 442.338 4.840 50 0 IJAARN COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)NCCc2ccccc2)cc1 ZINC000009529336 569544796 /nfs/dbraw/zinc/54/47/96/569544796.db2.gz BTSZAVBKLGGLJP-UHFFFAOYSA-N 0 0 443.572 4.999 50 0 biogenic IJAARN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000009529383 569544830 /nfs/dbraw/zinc/54/48/30/569544830.db2.gz AGZIWBNKRVXNJW-HXUWFJFHSA-N 0 0 441.984 4.888 50 0 IJAARN COc1ccc([C@H](NC(=O)CSc2nnc(-c3ccoc3C)o2)c2ccccc2)cc1 ZINC000009530641 569545021 /nfs/dbraw/zinc/54/50/21/569545021.db2.gz KCDUUCQSBDSPOJ-OAQYLSRUSA-N 0 0 435.505 4.645 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1C ZINC000009537258 569545605 /nfs/dbraw/zinc/54/56/05/569545605.db2.gz GMDIQEGMJCPHDO-UHFFFAOYSA-N 0 0 425.535 4.525 50 0 IJAARN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccc(C)c3)c2)cc1 ZINC000009540017 569545752 /nfs/dbraw/zinc/54/57/52/569545752.db2.gz STAWERSVQXPVMK-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sccc2C)c1 ZINC000009545448 569546166 /nfs/dbraw/zinc/54/61/66/569546166.db2.gz QIIJKQRNNVUXIQ-UHFFFAOYSA-N 0 0 430.551 4.533 50 0 IJAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O ZINC000009548453 569546462 /nfs/dbraw/zinc/54/64/62/569546462.db2.gz CIYLDFSNFLOUNO-DEOSSOPVSA-N 0 0 436.895 4.622 50 0 IJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@H](C)c3cccc(Cl)c3)c(=O)c12 ZINC000009549754 569546669 /nfs/dbraw/zinc/54/66/69/569546669.db2.gz VWLODXAVBMZPTA-OAHLLOKOSA-N 0 0 437.952 4.964 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000009572514 569547818 /nfs/dbraw/zinc/54/78/18/569547818.db2.gz CQFKCFNUMSDTDH-UHFFFAOYSA-N 0 0 445.976 4.829 50 0 IJAARN C[C@H](Oc1cc2ccccc2cc1C(=O)NCc1ccccc1)C(=O)NCc1cccs1 ZINC000009578589 569548344 /nfs/dbraw/zinc/54/83/44/569548344.db2.gz HXIOAZKRFJLYCU-SFHVURJKSA-N 0 0 444.556 4.915 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 ZINC000009579244 569548447 /nfs/dbraw/zinc/54/84/47/569548447.db2.gz GSRMUXPGCTVQEQ-UHFFFAOYSA-N 0 0 425.539 4.616 50 0 IJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000009580426 569548778 /nfs/dbraw/zinc/54/87/78/569548778.db2.gz UQGVRUUVPVDYBT-QFQXNSOFSA-N 0 0 448.588 4.952 50 0 IJAARN CCn1c2ccccc2c(C(=O)COC(=O)CCn2c(C)csc2=O)c1-c1ccccc1 ZINC000009580544 569548817 /nfs/dbraw/zinc/54/88/17/569548817.db2.gz LTXCMHJTKTVEAO-UHFFFAOYSA-N 0 0 448.544 4.676 50 0 IJAARN CC(C)Sc1ccc(CC(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 ZINC000070638539 569548998 /nfs/dbraw/zinc/54/89/98/569548998.db2.gz WXRMRHMBPWNJGK-UHFFFAOYSA-N 0 0 441.578 4.616 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000009582834 569549228 /nfs/dbraw/zinc/54/92/28/569549228.db2.gz UIXLMXODWFYRMO-HXUWFJFHSA-N 0 0 442.972 4.503 50 0 IJAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)COc2ccccc2)cc1 ZINC000009591206 569550168 /nfs/dbraw/zinc/55/01/68/569550168.db2.gz MWFIYXPCMTUZPK-UHFFFAOYSA-N 0 0 448.910 4.938 50 0 IJAARN COc1cccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)n2Cc2ccco2)c1 ZINC000009591572 569550170 /nfs/dbraw/zinc/55/01/70/569550170.db2.gz GBMWPZDVPMDGMI-NRFANRHFSA-N 0 0 448.548 4.517 50 0 IJAARN CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)c1 ZINC000009592159 569550317 /nfs/dbraw/zinc/55/03/17/569550317.db2.gz PLHMANHJDVYIPS-LJQANCHMSA-N 0 0 433.489 4.573 50 0 IJAARN COc1ccc(CCn2cc(C(=O)Nc3cccc4[nH]ccc43)c3ccccc3c2=O)cc1 ZINC000070666661 569550688 /nfs/dbraw/zinc/55/06/88/569550688.db2.gz DLRXABXODAETQK-UHFFFAOYSA-N 0 0 437.499 4.986 50 0 biogenic IJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000009595291 569550700 /nfs/dbraw/zinc/55/07/00/569550700.db2.gz PVWVONZWRAWZNS-UHFFFAOYSA-N 0 0 441.487 4.962 50 0 IJAARN COc1cc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)cc(OC)c1 ZINC000009599202 569551201 /nfs/dbraw/zinc/55/12/01/569551201.db2.gz WRPKJEIDUPKDNU-UHFFFAOYSA-N 0 0 437.565 4.937 50 0 IJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O ZINC000009599670 569551308 /nfs/dbraw/zinc/55/13/08/569551308.db2.gz MKGBPJAMKQNDBH-UHFFFAOYSA-N 0 0 441.673 4.829 50 0 IJAARN O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)c1ccc(Cl)cc1 ZINC000009602711 569551701 /nfs/dbraw/zinc/55/17/01/569551701.db2.gz HGINCQJXUSGJDP-UHFFFAOYSA-N 0 0 442.993 4.763 50 0 IJAARN COc1ccc(OC)c(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000009607328 569552049 /nfs/dbraw/zinc/55/20/49/569552049.db2.gz SQQLJCXSUVXYFX-OAQYLSRUSA-N 0 0 430.464 4.665 50 0 IJAARN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)c1 ZINC000009607669 569552054 /nfs/dbraw/zinc/55/20/54/569552054.db2.gz HHLAWFTUGVSDMR-UHFFFAOYSA-N 0 0 427.460 4.513 50 0 IJAARN CSc1nc2n(n1)[C@@H](c1ccccc1F)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000009608487 569552139 /nfs/dbraw/zinc/55/21/39/569552139.db2.gz AKVVUAKWQBHJOH-KRWDZBQOSA-N 0 0 429.908 4.720 50 0 IJAARN CCn1c2ccccc2c2sc(C(=O)N(Cc3ccco3)C[C@@H]3CCCO3)cc2c1=O ZINC000009611149 569552765 /nfs/dbraw/zinc/55/27/65/569552765.db2.gz ZCCPMQGAYLREIS-KRWDZBQOSA-N 0 0 436.533 4.651 50 0 IJAARN O=c1c2c3c(sc2n(Cc2ccc(F)cc2)c(=O)n1CCc1ccccc1)CCCC3 ZINC000009615660 569553260 /nfs/dbraw/zinc/55/32/60/569553260.db2.gz KVSUMSZPOWGACE-UHFFFAOYSA-N 0 0 434.536 4.534 50 0 IJAARN C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009616471 569553277 /nfs/dbraw/zinc/55/32/77/569553277.db2.gz OEMBYSLIQQHRFU-LJQANCHMSA-N 0 0 429.520 4.832 50 0 IJAARN CN(C(=O)CSc1nnc(-c2ccco2)o1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000009619824 569553423 /nfs/dbraw/zinc/55/34/23/569553423.db2.gz BEXZRYGXDWYHBS-OAQYLSRUSA-N 0 0 445.928 4.572 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)c(C)n1Cc1cccs1 ZINC000009620500 569553493 /nfs/dbraw/zinc/55/34/93/569553493.db2.gz GWQGEFJHBZEVKJ-OAHLLOKOSA-N 0 0 448.639 4.632 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2C(C)C)cc1 ZINC000009632083 569553926 /nfs/dbraw/zinc/55/39/26/569553926.db2.gz FUNXQAZWWFMANV-OAQYLSRUSA-N 0 0 436.581 4.821 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccccc2F)cc1 ZINC000009632185 569553951 /nfs/dbraw/zinc/55/39/51/569553951.db2.gz HAJNXEGCXQJAPG-UHFFFAOYSA-N 0 0 440.544 4.623 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c1 ZINC000009632679 569554096 /nfs/dbraw/zinc/55/40/96/569554096.db2.gz XSFWFGXFPVAQGS-UHFFFAOYSA-N 0 0 444.516 4.702 50 0 IJAARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC(F)F ZINC000009634866 569554532 /nfs/dbraw/zinc/55/45/32/569554532.db2.gz ZRIMWUBHMGLPIV-LBPRGKRZSA-N 0 0 448.447 4.604 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccco1 ZINC000009639277 569555159 /nfs/dbraw/zinc/55/51/59/569555159.db2.gz NXJXQAXUQKTEGJ-CQSZACIVSA-N 0 0 442.928 4.802 50 0 IJAARN Cc1ccc(C(C)C)c(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)c1 ZINC000009640593 569555368 /nfs/dbraw/zinc/55/53/68/569555368.db2.gz MKXWTLSSOPCPNG-UHFFFAOYSA-N 0 0 434.565 4.996 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)o2)cc1 ZINC000009644463 569556028 /nfs/dbraw/zinc/55/60/28/569556028.db2.gz RIAFIZXQYANBMW-UHFFFAOYSA-N 0 0 429.546 4.599 50 0 IJAARN CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000009646485 569556280 /nfs/dbraw/zinc/55/62/80/569556280.db2.gz LEVWYEWEEMYTNQ-UHFFFAOYSA-N 0 0 427.906 4.980 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)c1 ZINC000009659239 569556645 /nfs/dbraw/zinc/55/66/45/569556645.db2.gz KAUJWDAJJDMTNL-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN COc1cccc(CCNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 ZINC000009659778 569556707 /nfs/dbraw/zinc/55/67/07/569556707.db2.gz ZWQLJUIXLVYHEW-UHFFFAOYSA-N 0 0 431.532 4.960 50 0 IJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000009664830 569557480 /nfs/dbraw/zinc/55/74/80/569557480.db2.gz KAUOAVUMNJCCBG-UHFFFAOYSA-N 0 0 427.507 4.725 50 0 IJAARN Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)n3-c3ccccc3)cc(=O)n2c1 ZINC000009666290 569557682 /nfs/dbraw/zinc/55/76/82/569557682.db2.gz IZGFBAGGCNOGAE-UHFFFAOYSA-N 0 0 443.507 4.682 50 0 IJAARN CCc1ccc(-c2nc(SCC(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)n[nH]2)cc1 ZINC000009669424 569558045 /nfs/dbraw/zinc/55/80/45/569558045.db2.gz QOQCFTONHWBJEH-UHFFFAOYSA-N 0 0 446.580 4.876 50 0 IJAARN CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 ZINC000009671761 569558621 /nfs/dbraw/zinc/55/86/21/569558621.db2.gz XHOJCETYBPVJON-UHFFFAOYSA-N 0 0 438.962 4.569 50 0 IJAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)c1C ZINC000009672579 569558834 /nfs/dbraw/zinc/55/88/34/569558834.db2.gz SPJHLEUTCITPBP-UHFFFAOYSA-N 0 0 428.587 4.941 50 0 IJAARN COc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000009674024 569559011 /nfs/dbraw/zinc/55/90/11/569559011.db2.gz RHFVSQZBNAIRJK-UHFFFAOYSA-N 0 0 429.520 4.547 50 0 IJAARN O=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000009674084 569559108 /nfs/dbraw/zinc/55/91/08/569559108.db2.gz WSCQNYXDSVDPJR-SFHVURJKSA-N 0 0 427.957 4.784 50 0 IJAARN COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCc1ccc(Cl)cc1 ZINC000009679685 569559889 /nfs/dbraw/zinc/55/98/89/569559889.db2.gz MXOPEPGSQFMTLO-XKZIYDEJSA-N 0 0 448.931 4.698 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2ccccc2F)o1 ZINC000009683606 569560343 /nfs/dbraw/zinc/56/03/43/569560343.db2.gz HZGLNASKJLJLBO-UHFFFAOYSA-N 0 0 443.891 4.660 50 0 IJAARN CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000009684609 569560580 /nfs/dbraw/zinc/56/05/80/569560580.db2.gz HDWAHCHMSQFAOG-LBPRGKRZSA-N 0 0 435.475 4.542 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCCN2c3ccccc3Sc3ncccc3C2=O)cc1 ZINC000009687708 569560799 /nfs/dbraw/zinc/56/07/99/569560799.db2.gz FUZHOHAOOYNIMO-UHFFFAOYSA-N 0 0 431.517 4.815 50 0 IJAARN COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c1C ZINC000009691898 569561042 /nfs/dbraw/zinc/56/10/42/569561042.db2.gz TWHHMUVCWJMFSQ-UHFFFAOYSA-N 0 0 439.581 4.551 50 0 IJAARN C[C@@H](OC(=O)c1ccccc1C(=O)N(C)c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000009702942 569561325 /nfs/dbraw/zinc/56/13/25/569561325.db2.gz ZXZQTUKWNZMPIM-QGZVFWFLSA-N 0 0 426.472 4.873 50 0 IJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000009707752 569561648 /nfs/dbraw/zinc/56/16/48/569561648.db2.gz FLDZNPULWIYBSU-UHFFFAOYSA-N 0 0 438.530 4.715 50 0 IJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009712406 569562230 /nfs/dbraw/zinc/56/22/30/569562230.db2.gz FEODFWDOAPOSOC-QHCPKHFHSA-N 0 0 441.535 4.574 50 0 IJAARN Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)n(-c2ccccc2)n1 ZINC000009724333 569563735 /nfs/dbraw/zinc/56/37/35/569563735.db2.gz RRGJOVFMISHWTE-UHFFFAOYSA-N 0 0 436.566 4.566 50 0 IJAARN CCOc1ccc(-c2nnc(SCc3cc4c(cc3Br)OCO4)o2)cc1 ZINC000009728875 569564176 /nfs/dbraw/zinc/56/41/76/569564176.db2.gz HVUHIHYQQSKHBQ-UHFFFAOYSA-N 0 0 435.299 4.919 50 0 IJAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000009730256 569564380 /nfs/dbraw/zinc/56/43/80/569564380.db2.gz SKEPTYOCNJGGFA-UHFFFAOYSA-N 0 0 446.212 4.544 50 0 IJAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009738674 569564894 /nfs/dbraw/zinc/56/48/94/569564894.db2.gz VUPVXCKHMNBKTK-UHFFFAOYSA-N 0 0 429.476 4.766 50 0 IJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc(Br)c3)co2)n1 ZINC000009739622 569565084 /nfs/dbraw/zinc/56/50/84/569565084.db2.gz IRCWDHPFVQSASG-UHFFFAOYSA-N 0 0 438.324 4.679 50 0 IJAARN COc1ccc(CC[NH2+]Cc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)cc1OC ZINC000009740898 569565187 /nfs/dbraw/zinc/56/51/87/569565187.db2.gz NATNQRFXBZUWIB-UHFFFAOYSA-N 0 0 436.533 4.740 50 0 IJAARN CCN(CCC[NH2+]Cc1c(C)n(Cc2cccc(OC)c2)c(C)c1C(=O)[O-])c1ccccc1 ZINC000009747382 569565826 /nfs/dbraw/zinc/56/58/26/569565826.db2.gz WYVJSKAIKYAKFD-UHFFFAOYSA-N 0 0 449.595 4.866 50 0 IJAARN C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009749852 569566001 /nfs/dbraw/zinc/56/60/01/569566001.db2.gz GKOJVWMYCQWSSC-LJQANCHMSA-N 0 0 430.504 4.798 50 0 IJAARN CCCCCCOC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000009761150 569566188 /nfs/dbraw/zinc/56/61/88/569566188.db2.gz XDWUVXQTOLJVMS-QHCPKHFHSA-N 0 0 438.568 4.509 50 0 biogenic IJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776623 569567045 /nfs/dbraw/zinc/56/70/45/569567045.db2.gz DYXBNYYLXSBSBO-ISKFKSNPSA-N 0 0 434.467 4.576 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000009778708 569567330 /nfs/dbraw/zinc/56/73/30/569567330.db2.gz JKLHNYMZWYYLSX-LEWJYISDSA-N 0 0 434.854 4.540 50 0 IJAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000009779524 569567379 /nfs/dbraw/zinc/56/73/79/569567379.db2.gz RXKSTWBEQSRUBA-KRWDZBQOSA-N 0 0 432.593 4.993 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2ccc(Cl)cc12 ZINC000009783345 569567774 /nfs/dbraw/zinc/56/77/74/569567774.db2.gz WMWYVWXMQWCZSU-UHFFFAOYSA-N 0 0 427.892 4.601 50 0 IJAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009785162 569567872 /nfs/dbraw/zinc/56/78/72/569567872.db2.gz NEIAWAJQPMDDGR-UHFFFAOYSA-N 0 0 442.463 4.677 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3nn(C)c(=O)c4ccccc43)nc21 ZINC000009788832 569567983 /nfs/dbraw/zinc/56/79/83/569567983.db2.gz TVNZFVGWNACWRO-UHFFFAOYSA-N 0 0 440.528 4.699 50 0 IJAARN CCc1ccccc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009789556 569568122 /nfs/dbraw/zinc/56/81/22/569568122.db2.gz MXZHPBPNVDIMJA-UHFFFAOYSA-N 0 0 430.533 4.532 50 0 IJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000009804733 569568680 /nfs/dbraw/zinc/56/86/80/569568680.db2.gz WOPQJDNNCKCMJN-FQEVSTJZSA-N 0 0 436.733 4.710 50 0 IJAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1ccc(OCC)cc1 ZINC000009824800 569569649 /nfs/dbraw/zinc/56/96/49/569569649.db2.gz HRQGGPXMXQVYAN-UHFFFAOYSA-N 0 0 444.578 4.887 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn21)c1cccs1 ZINC000009829123 569569957 /nfs/dbraw/zinc/56/99/57/569569957.db2.gz RQLFFNOTJDSSDR-UHFFFAOYSA-N 0 0 431.340 4.590 50 0 IJAARN CC(C)c1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 ZINC000009832363 569570289 /nfs/dbraw/zinc/57/02/89/569570289.db2.gz JZJKCEYZJCOMKS-UHFFFAOYSA-N 0 0 443.594 4.847 50 0 IJAARN COc1ccc(CCNC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1OC ZINC000009833624 569570389 /nfs/dbraw/zinc/57/03/89/569570389.db2.gz VCTPNZZBNWUKTI-UHFFFAOYSA-N 0 0 432.520 4.508 50 0 IJAARN C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCCC2=CCCCC2)C1=O ZINC000009834122 569570593 /nfs/dbraw/zinc/57/05/93/569570593.db2.gz PNAHBOOUARTPDH-SFHVURJKSA-N 0 0 449.982 4.919 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009867712 569572282 /nfs/dbraw/zinc/57/22/82/569572282.db2.gz LSGNLRMORVVOQD-MRXNPFEDSA-N 0 0 440.525 4.941 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1C ZINC000009872337 569572455 /nfs/dbraw/zinc/57/24/55/569572455.db2.gz WNIKYPAPGWBPGD-UHFFFAOYSA-N 0 0 440.525 4.546 50 0 IJAARN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1I ZINC000009892033 569572958 /nfs/dbraw/zinc/57/29/58/569572958.db2.gz UQMHENNXBALVDQ-UHFFFAOYSA-N 0 0 426.685 4.797 50 0 IJAARN Cc1nc2c(ccc3nc(NC(=O)CCCS(=O)(=O)c4ccc(F)cc4)sc32)s1 ZINC000009914837 569573425 /nfs/dbraw/zinc/57/34/25/569573425.db2.gz CHRZLKLRZOSEIH-UHFFFAOYSA-N 0 0 449.554 4.546 50 0 IJAARN COc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(F)cc3)c2=O)c1 ZINC000009939856 569573900 /nfs/dbraw/zinc/57/39/00/569573900.db2.gz JAZMFTKJWMYWNP-UHFFFAOYSA-N 0 0 432.476 4.563 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000009948762 569574168 /nfs/dbraw/zinc/57/41/68/569574168.db2.gz ZFCXPOYGWQYXRX-UHFFFAOYSA-N 0 0 436.577 4.750 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c3ccccc3n2)cc1 ZINC000009950735 569574407 /nfs/dbraw/zinc/57/44/07/569574407.db2.gz LMLPNOLYLVIERX-HNNXBMFYSA-N 0 0 439.471 4.882 50 0 IJAARN COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1 ZINC000009950914 569574409 /nfs/dbraw/zinc/57/44/09/569574409.db2.gz SSDYOVYNHRVFSA-CQSZACIVSA-N 0 0 433.537 4.889 50 0 IJAARN Cc1ccc(-c2nc(SCC(=O)Nc3cc(-c4ccc(Cl)cc4)nn3C)n[nH]2)cc1 ZINC000009951054 569574468 /nfs/dbraw/zinc/57/44/68/569574468.db2.gz AQJSFFKUUNEGQC-UHFFFAOYSA-N 0 0 438.944 4.565 50 0 IJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000009958669 569574909 /nfs/dbraw/zinc/57/49/09/569574909.db2.gz GISLJXIGVTWXSI-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2OC)c1 ZINC000009958623 569574931 /nfs/dbraw/zinc/57/49/31/569574931.db2.gz HLFQRRMAPXUHGL-UHFFFAOYSA-N 0 0 446.459 4.720 50 0 IJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000009958813 569574974 /nfs/dbraw/zinc/57/49/74/569574974.db2.gz GOSXNFWHUWJCRN-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN COCCn1c(Sc2ncnc3c4ccccc4oc32)nc2sc(C)c(C)c2c1=O ZINC000009959730 569575209 /nfs/dbraw/zinc/57/52/09/569575209.db2.gz AMMHRQHYSJNWCR-UHFFFAOYSA-N 0 0 438.534 4.562 50 0 IJAARN COc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)cc1OC ZINC000071328164 569575550 /nfs/dbraw/zinc/57/55/50/569575550.db2.gz BOYNDGDXMHXGJK-UHFFFAOYSA-N 0 0 438.484 4.512 50 0 IJAARN CCc1ccc([C@@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c2cccs2)cc1 ZINC000009981109 569576499 /nfs/dbraw/zinc/57/64/99/569576499.db2.gz CCWCQMZQMBCEKI-JOCHJYFZSA-N 0 0 443.528 4.672 50 0 IJAARN Cc1c2ccccc2oc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000009983285 569576597 /nfs/dbraw/zinc/57/65/97/569576597.db2.gz WMBGWGQFOOGNAM-MHZLTWQESA-N 0 0 438.483 4.614 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000009983380 569576617 /nfs/dbraw/zinc/57/66/17/569576617.db2.gz JHUOHAMNSVSAMF-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000010037295 569577442 /nfs/dbraw/zinc/57/74/42/569577442.db2.gz UXOWOKILYRPQNP-FQEVSTJZSA-N 0 0 444.622 4.599 50 0 IJAARN CCc1cccc2sc(N(Cc3ccccn3)C(=O)[C@@H]3COc4ccccc4O3)nc21 ZINC000010187561 569578591 /nfs/dbraw/zinc/57/85/91/569578591.db2.gz BWQLDRLKUGEXQX-FQEVSTJZSA-N 0 0 431.517 4.627 50 0 IJAARN O=C(c1ccc2c(c1)OCCO2)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000010187654 569578629 /nfs/dbraw/zinc/57/86/29/569578629.db2.gz SYXGWWWLCKIVFC-UHFFFAOYSA-N 0 0 439.443 4.588 50 0 IJAARN CCOC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214172 569579102 /nfs/dbraw/zinc/57/91/02/569579102.db2.gz NPMYOWWKQRVZEW-FQEVSTJZSA-N 0 0 441.915 4.538 50 0 IJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010233253 569579601 /nfs/dbraw/zinc/57/96/01/569579601.db2.gz MANDUBSVTDBWJL-UHFFFAOYSA-N 0 0 429.428 4.696 50 0 IJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000010242629 569579734 /nfs/dbraw/zinc/57/97/34/569579734.db2.gz ZXWQZEBZPPOTMT-UHFFFAOYSA-N 0 0 447.512 4.587 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccc(S(C)(=O)=O)cc4)cc3)sc2c1 ZINC000010252564 569579921 /nfs/dbraw/zinc/57/99/21/569579921.db2.gz GZYFJGSYQBETOD-UHFFFAOYSA-N 0 0 436.558 4.856 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccno2)c(C(=O)c2ccccc2)c1 ZINC000010253903 569579970 /nfs/dbraw/zinc/57/99/70/569579970.db2.gz CFXGAQLGXLZKNC-UHFFFAOYSA-N 0 0 425.444 4.719 50 0 IJAARN COc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3C)CC2=O)c1 ZINC000010273934 569580307 /nfs/dbraw/zinc/58/03/07/569580307.db2.gz XHDFNWNMVALCBE-UHFFFAOYSA-N 0 0 427.504 4.808 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010327720 569581014 /nfs/dbraw/zinc/58/10/14/569581014.db2.gz ZCKORTDAJJBPFI-UHFFFAOYSA-N 0 0 426.438 4.982 50 0 IJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000010337233 569581214 /nfs/dbraw/zinc/58/12/14/569581214.db2.gz PHLBNBXLMDGUBR-UHFFFAOYSA-N 0 0 444.509 4.888 50 0 IJAARN Cc1cc(NC(=O)C2=C(C)N(c3cc(C)ccc3C)C(=S)N[C@@H]2c2ccc(O)cc2)no1 ZINC000010360406 569581512 /nfs/dbraw/zinc/58/15/12/569581512.db2.gz HQHUOGCMJMYMIM-JOCHJYFZSA-N 0 0 448.548 4.654 50 0 IJAARN CCN(CC)C(=O)CSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1CC ZINC000010412194 569581964 /nfs/dbraw/zinc/58/19/64/569581964.db2.gz GHRMOBVORAFDRU-UHFFFAOYSA-N 0 0 433.574 4.553 50 0 IJAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1 ZINC000010426174 569582023 /nfs/dbraw/zinc/58/20/23/569582023.db2.gz CLQLXWVMOSXPCD-UHFFFAOYSA-N 0 0 447.516 4.687 50 0 IJAARN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC(C)C)C(=O)C(C)C)n2)cc1 ZINC000036051194 569584058 /nfs/dbraw/zinc/58/40/58/569584058.db2.gz SPDRPWQWNBBASV-UHFFFAOYSA-N 0 0 446.595 5.235 50 0 IJAARN COc1cc(COCC2CCN(C(=O)c3cccc(Br)c3)CC2)cc(OC)c1 ZINC000077099662 569585257 /nfs/dbraw/zinc/58/52/57/569585257.db2.gz GWZUYDBBTNIUHO-UHFFFAOYSA-N 0 0 448.357 4.535 50 0 IJAARN COc1ccc(CCC(=O)N2CCN(c3nc4c(cccc4C(F)(F)F)s3)CC2)cc1 ZINC000077101066 569585523 /nfs/dbraw/zinc/58/55/23/569585523.db2.gz WYPGRFUTODOPAZ-UHFFFAOYSA-N 0 0 449.498 4.605 50 0 IJAARN CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)NC1CCC(C)CC1 ZINC000035480701 569587674 /nfs/dbraw/zinc/58/76/74/569587674.db2.gz ZDWVNVUQICDPHN-ALLBUHFWSA-N 0 0 429.586 4.796 50 0 IJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)C(C(=O)OC)=C1C ZINC000035710523 569587744 /nfs/dbraw/zinc/58/77/44/569587744.db2.gz XVUWBAAAPWJDTP-HXUWFJFHSA-N 0 0 441.915 4.516 50 0 IJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000008788949 291389806 /nfs/dbraw/zinc/38/98/06/291389806.db2.gz SEAWKEDAGUOXED-WADJCTTFSA-N 0 0 449.547 4.722 50 0 biogenic,in-vitro IJAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCc2ccccc2)cc1 ZINC000000632305 193864202 /nfs/dbraw/zinc/86/42/02/193864202.db2.gz BMMPAGXREQUMIT-UHFFFAOYSA-N 0 0 435.520 4.627 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccc(F)cc2)cc1 ZINC000000638533 193866780 /nfs/dbraw/zinc/86/67/80/193866780.db2.gz NPHAIUXCAZWIER-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN COc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC ZINC000000661110 193876280 /nfs/dbraw/zinc/87/62/80/193876280.db2.gz LFSLJSOUUBHPLF-UHFFFAOYSA-N 0 0 425.535 4.554 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 ZINC000009835628 193901947 /nfs/dbraw/zinc/90/19/47/193901947.db2.gz HIRPLHHOYTVWIU-UHFFFAOYSA-N 0 0 436.577 4.623 50 0 IJAARN O=c1c(Cl)c(N2CCC[C@@H]2c2cccs2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009847420 193905643 /nfs/dbraw/zinc/90/56/43/193905643.db2.gz BNXDKFTUQGGCNG-GFCCVEGCSA-N 0 0 426.851 4.703 50 0 IJAARN Cc1cc2nc(C)c(CCC(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)n2n1 ZINC000009832024 193899466 /nfs/dbraw/zinc/89/94/66/193899466.db2.gz KSJWPIVPMRZPPN-UHFFFAOYSA-N 0 0 433.581 4.603 50 0 IJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1 ZINC000009848096 193906204 /nfs/dbraw/zinc/90/62/04/193906204.db2.gz NVNWASPSEAORJW-SFHVURJKSA-N 0 0 448.592 4.752 50 0 IJAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(F)cc1 ZINC000009855872 193908767 /nfs/dbraw/zinc/90/87/67/193908767.db2.gz LBYLCVYHXGCIGZ-UHFFFAOYSA-N 0 0 446.453 4.712 50 0 IJAARN CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=O)c1ccc(OC)cc1 ZINC000009860897 193911282 /nfs/dbraw/zinc/91/12/82/193911282.db2.gz QRQUFWGAXLLPTL-LJQANCHMSA-N 0 0 439.489 4.698 50 0 IJAARN COc1ccc2[nH]cc([C@@H](CC(=O)N3CCOCC3)c3cccc(C(F)(F)F)c3)c2c1 ZINC000096275430 193951606 /nfs/dbraw/zinc/95/16/06/193951606.db2.gz BXKGRHRJOOTRND-SFHVURJKSA-N 0 0 432.442 4.576 50 0 IJAARN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccncc1 ZINC000000897230 132233555 /nfs/dbraw/zinc/23/35/55/132233555.db2.gz NLMJLFFYZKAHQD-UHFFFAOYSA-N 0 0 431.546 4.799 50 0 IJAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)N1CCCc2ccccc21 ZINC000001346481 132242936 /nfs/dbraw/zinc/24/29/36/132242936.db2.gz OIKSIYUJOJXIBY-UHFFFAOYSA-N 0 0 435.940 4.540 50 0 IJAARN O=C(c1cc2ncc(C(F)(F)F)cc2s1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001401103 132245032 /nfs/dbraw/zinc/24/50/32/132245032.db2.gz OVMRNJHZRFBBIH-UHFFFAOYSA-N 0 0 425.863 4.931 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002393181 132253471 /nfs/dbraw/zinc/25/34/71/132253471.db2.gz NCOHSEDPVGXOIG-UHFFFAOYSA-N 0 0 426.472 4.549 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000002621594 132255243 /nfs/dbraw/zinc/25/52/43/132255243.db2.gz SENUYCGXATYKQA-UHFFFAOYSA-N 0 0 439.339 4.880 50 0 IJAARN O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000002772748 132256925 /nfs/dbraw/zinc/25/69/25/132256925.db2.gz QJZOIZFWKASKFR-UHFFFAOYSA-N 0 0 428.923 4.913 50 0 IJAARN COc1ccc(NC(=O)c2sc3ncnc(N4CCCC[C@H]4C)c3c2C)c(OC)c1 ZINC000002924192 132258768 /nfs/dbraw/zinc/25/87/68/132258768.db2.gz RUWZATNJTTYATQ-CYBMUJFWSA-N 0 0 426.542 4.648 50 0 IJAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(C)nc(N3CCCC[C@@H]3C)c2c1C ZINC000002924442 132258859 /nfs/dbraw/zinc/25/88/59/132258859.db2.gz AULQHPLCWHTWIL-ZDUSSCGKSA-N 0 0 438.553 4.726 50 0 IJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCC3(CC2)OCCO3)cc1 ZINC000002974890 132259952 /nfs/dbraw/zinc/25/99/52/132259952.db2.gz QTQUEYNUZFKIHU-UHFFFAOYSA-N 0 0 426.520 4.739 50 0 IJAARN Cc1ccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCOCC3)n2)cc1Cl ZINC000003014457 132260392 /nfs/dbraw/zinc/26/03/92/132260392.db2.gz WJMFFYIHLSYUFM-UHFFFAOYSA-N 0 0 428.968 4.716 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000003022699 132260572 /nfs/dbraw/zinc/26/05/72/132260572.db2.gz IOKQBBRXFUJCGZ-UHFFFAOYSA-N 0 0 438.524 4.782 50 0 IJAARN Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)c1C ZINC000003033343 132260818 /nfs/dbraw/zinc/26/08/18/132260818.db2.gz UYCXCKDAWINPAK-UHFFFAOYSA-N 0 0 443.572 4.983 50 0 IJAARN O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)N1CCCc2ccccc21 ZINC000003303342 132263547 /nfs/dbraw/zinc/26/35/47/132263547.db2.gz CVTSAJYLXYDDGH-UHFFFAOYSA-N 0 0 443.528 4.737 50 0 IJAARN O=C(Nc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl)c1cccs1 ZINC000003306465 132263578 /nfs/dbraw/zinc/26/35/78/132263578.db2.gz FMCIKLGSNDHOFT-UHFFFAOYSA-N 0 0 441.940 4.743 50 0 IJAARN O=C(Nc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1Cl)c1cccs1 ZINC000003328556 132263956 /nfs/dbraw/zinc/26/39/56/132263956.db2.gz GQBZRCIMBBHMEX-UHFFFAOYSA-N 0 0 441.940 4.743 50 0 IJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2c(s1)CCCC2 ZINC000003355724 132264470 /nfs/dbraw/zinc/26/44/70/132264470.db2.gz PRQWZNHYUNKECX-UHFFFAOYSA-N 0 0 430.570 4.513 50 0 IJAARN O=C(c1c2c(nc3ccccc31)CCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003460016 132265796 /nfs/dbraw/zinc/26/57/96/132265796.db2.gz NQFOJHWWONYXHZ-UHFFFAOYSA-N 0 0 425.454 4.705 50 0 IJAARN O=C(NC1CCCCCCC1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003665835 132267330 /nfs/dbraw/zinc/26/73/30/132267330.db2.gz CMFVUIAZLBPUIZ-QHCPKHFHSA-N 0 0 427.932 4.766 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1 ZINC000004056353 132269025 /nfs/dbraw/zinc/26/90/25/132269025.db2.gz USRRMYRHBGLLMG-UHFFFAOYSA-N 0 0 432.307 4.619 50 0 IJAARN CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000004120673 132270035 /nfs/dbraw/zinc/27/00/35/132270035.db2.gz LLHYAEOTRVSQRS-ONNFQVAWSA-N 0 0 432.351 4.704 50 0 IJAARN CCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCC[C@@H](C)C3)cc21 ZINC000008596200 132285072 /nfs/dbraw/zinc/28/50/72/132285072.db2.gz IQENOADCWMLHLV-QGZVFWFLSA-N 0 0 442.556 4.620 50 0 IJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCN(c2ccc(C)cc2C)CC1 ZINC000008599794 132286152 /nfs/dbraw/zinc/28/61/52/132286152.db2.gz SCBHSXJHWCNAPB-UHFFFAOYSA-N 0 0 425.916 4.725 50 0 IJAARN CC(=O)c1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000008608573 132287588 /nfs/dbraw/zinc/28/75/88/132287588.db2.gz QBJIHJFQFCJFPR-UHFFFAOYSA-N 0 0 434.517 4.842 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(F)c(F)c4)ccc32)cc1 ZINC000008608688 132287796 /nfs/dbraw/zinc/28/77/96/132287796.db2.gz ZXRPCNARVNQRND-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C ZINC000008610203 132288085 /nfs/dbraw/zinc/28/80/85/132288085.db2.gz CJTUTEYRSYCYAJ-UHFFFAOYSA-N 0 0 436.581 4.860 50 0 aggregator IJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000008933598 132298232 /nfs/dbraw/zinc/29/82/32/132298232.db2.gz UNDCNWAXFBWRMV-UHFFFAOYSA-N 0 0 439.563 4.551 50 0 IJAARN COc1ccccc1N1CCN(C(=O)C2(Cc3nc4ccccc4s3)CCCC2)CC1 ZINC000008965512 132298701 /nfs/dbraw/zinc/29/87/01/132298701.db2.gz SHABKKIAWGNUGI-UHFFFAOYSA-N 0 0 435.593 4.757 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000009114910 132303426 /nfs/dbraw/zinc/30/34/26/132303426.db2.gz XTJGEKCPOWXSTA-JOCHJYFZSA-N 0 0 435.911 4.929 50 0 IJAARN O=C(Nc1ccccc1N1CCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009126976 132305313 /nfs/dbraw/zinc/30/53/13/132305313.db2.gz VNWCWHHSHAUSLO-UHFFFAOYSA-N 0 0 438.531 4.687 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2-n2cccc2)cc1 ZINC000009153827 132307154 /nfs/dbraw/zinc/30/71/54/132307154.db2.gz JWIPGFAFMAAUNT-UHFFFAOYSA-N 0 0 439.563 4.551 50 0 IJAARN C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009252695 132311178 /nfs/dbraw/zinc/31/11/78/132311178.db2.gz GLMPJQORNVVSML-CQSZACIVSA-N 0 0 446.557 4.824 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000009406294 132315645 /nfs/dbraw/zinc/31/56/45/132315645.db2.gz ZILVCMADYYSFGD-UHFFFAOYSA-N 0 0 442.563 4.808 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)CC1 ZINC000009529004 132320549 /nfs/dbraw/zinc/32/05/49/132320549.db2.gz OMBQCNQZXGVXDC-UHFFFAOYSA-N 0 0 427.504 4.774 50 0 IJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4cccc5ccccc54)CC3)n2)cc1 ZINC000009573238 132321976 /nfs/dbraw/zinc/32/19/76/132321976.db2.gz BGXMLVSELWUFGN-UHFFFAOYSA-N 0 0 437.547 4.953 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000009645200 132324793 /nfs/dbraw/zinc/32/47/93/132324793.db2.gz LJQDPYOXAAGFAP-FQEVSTJZSA-N 0 0 445.573 4.635 50 0 IJAARN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000009686360 132325916 /nfs/dbraw/zinc/32/59/16/132325916.db2.gz PSAGFWQGBDXSHC-UHFFFAOYSA-N 0 0 436.581 4.986 50 0 IJAARN C[C@H](C(=O)NCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000009692770 132325960 /nfs/dbraw/zinc/32/59/60/132325960.db2.gz JOHMLDXGBGITOV-GAJHUEQPSA-N 0 0 434.536 4.786 50 0 IJAARN Cc1ccc(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCCCOC(C)C)C2=O)cc1 ZINC000009692912 132326196 /nfs/dbraw/zinc/32/61/96/132326196.db2.gz KWAGIYKUSPTOJK-XXBNENTESA-N 0 0 440.609 4.570 50 0 IJAARN Cc1oc(-c2ccccc2F)nc1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009693961 132326429 /nfs/dbraw/zinc/32/64/29/132326429.db2.gz YSHZHRBGGPQQIL-UHFFFAOYSA-N 0 0 443.519 4.510 50 0 IJAARN COc1ccc(OC)c2c1CN(c1ncnc3scc(-c4ccc(C)cc4)c31)C[C@@H]2O ZINC000009781370 132328929 /nfs/dbraw/zinc/32/89/29/132328929.db2.gz WEPJYIDCBIHSJX-SFHVURJKSA-N 0 0 433.533 4.738 50 0 IJAARN COC(=O)c1ccc(Oc2nc(Nc3ccccc3F)nc(N3CCCC[C@H]3C)n2)cc1 ZINC000009804833 132329288 /nfs/dbraw/zinc/32/92/88/132329288.db2.gz CRDKXJSSCKHUKK-OAHLLOKOSA-N 0 0 437.475 4.712 50 0 IJAARN CCCOC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1N1CCOCC1 ZINC000009907823 132331305 /nfs/dbraw/zinc/33/13/05/132331305.db2.gz APHZLIAURGHNIQ-UHFFFAOYSA-N 0 0 448.519 4.504 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)c1C ZINC000011330051 132337743 /nfs/dbraw/zinc/33/77/43/132337743.db2.gz GLUCHKXHAXUPNF-UHFFFAOYSA-N 0 0 425.479 4.518 50 0 IJAARN Cc1cc2nc(N3CCC(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)nc(C)c2cc1C ZINC000011782633 132339563 /nfs/dbraw/zinc/33/95/63/132339563.db2.gz NAGAWZJPQHIPHR-UHFFFAOYSA-N 0 0 432.612 4.856 50 0 IJAARN Oc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)CC1 ZINC000013031388 132342642 /nfs/dbraw/zinc/34/26/42/132342642.db2.gz DAYQSRRYOHGTNI-UHFFFAOYSA-N 0 0 443.576 4.664 50 0 IJAARN CCOc1cc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Cl)c1OC ZINC000013041856 132343544 /nfs/dbraw/zinc/34/35/44/132343544.db2.gz UHVCPRHASTXZOH-MDZDMXLPSA-N 0 0 428.960 4.726 50 0 IJAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000013112654 132344801 /nfs/dbraw/zinc/34/48/01/132344801.db2.gz XMJBBCBHZYVHFO-HXUWFJFHSA-N 0 0 449.576 4.511 50 0 IJAARN Cc1sc2nc(CSc3ccccc3)nc(N3CCN(c4ncccn4)CC3)c2c1C ZINC000013120521 132345186 /nfs/dbraw/zinc/34/51/86/132345186.db2.gz SJSXUFKCDLGQOP-UHFFFAOYSA-N 0 0 448.621 4.717 50 0 IJAARN Cc1ccc(SCCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000013469206 132347028 /nfs/dbraw/zinc/34/70/28/132347028.db2.gz DTVXOJVKZDFFPL-UHFFFAOYSA-N 0 0 443.922 4.893 50 0 IJAARN O=C(CCSc1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013469217 132347031 /nfs/dbraw/zinc/34/70/31/132347031.db2.gz AGRWHBCOEVZFRL-UHFFFAOYSA-N 0 0 447.885 4.724 50 0 IJAARN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3Sc3ccccc3)ccc21 ZINC000013580467 132350923 /nfs/dbraw/zinc/35/09/23/132350923.db2.gz MTOYYIUDWWROQR-UHFFFAOYSA-N 0 0 438.574 4.802 50 0 IJAARN CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N(C)C)o2)cc1 ZINC000012676838 518297801 /nfs/dbraw/zinc/29/78/01/518297801.db2.gz SROSJTCIOCMSKE-IBGZPJMESA-N 0 0 428.891 4.974 50 0 IJAARN CC(=O)c1ccc(NC(=O)CCSc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)cc1 ZINC000012523571 518356904 /nfs/dbraw/zinc/35/69/04/518356904.db2.gz YSOBKZNNRCHARL-LBPRGKRZSA-N 0 0 440.594 4.722 50 0 IJAARN CC(=O)c1ccc(OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1 ZINC000012787574 518391552 /nfs/dbraw/zinc/39/15/52/518391552.db2.gz QHAUTWZHYQMOBH-UHFFFAOYSA-N 0 0 441.119 4.740 50 0 IJAARN CC(=O)c1ccc(OCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000012194389 518393066 /nfs/dbraw/zinc/39/30/66/518393066.db2.gz LXRCIFKMNZJMRV-HSZRJFAPSA-N 0 0 431.536 4.592 50 0 IJAARN CC(C)(C)C(=O)Nc1cccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)c1 ZINC000012788441 518591206 /nfs/dbraw/zinc/59/12/06/518591206.db2.gz APHYZIXCPUNMPZ-UHFFFAOYSA-N 0 0 440.569 4.926 50 0 IJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001073119 519043531 /nfs/dbraw/zinc/04/35/31/519043531.db2.gz RITJRMIDJCDTJH-UHFFFAOYSA-N 0 0 427.397 4.802 50 0 IJAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O ZINC000021937042 519278205 /nfs/dbraw/zinc/27/82/05/519278205.db2.gz PALHFVRERVIRDK-LIRRHRJNSA-N 0 0 438.528 4.591 50 0 IJAARN CC(C)Cc1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)[nH]n1 ZINC000020856545 519432186 /nfs/dbraw/zinc/43/21/86/519432186.db2.gz GDSFQGWUXIMIHY-XMMPIXPASA-N 0 0 433.556 4.789 50 0 IJAARN CC(C)Cc1ccc(C(=O)N2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1 ZINC000012702886 519433426 /nfs/dbraw/zinc/43/34/26/519433426.db2.gz XKGOAHOWXWGRAM-UHFFFAOYSA-N 0 0 444.579 4.740 50 0 IJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035399244 519440126 /nfs/dbraw/zinc/44/01/26/519440126.db2.gz JJTOCJBQJZJTTO-UHFFFAOYSA-N 0 0 435.593 4.781 50 0 biogenic IJAARN CC(C)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000035767702 519635338 /nfs/dbraw/zinc/63/53/38/519635338.db2.gz BVEIEBODFOCJCP-UHFFFAOYSA-N 0 0 440.490 4.566 50 0 IJAARN CC(C)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)CN(C)CC3 ZINC000035427108 519736328 /nfs/dbraw/zinc/73/63/28/519736328.db2.gz HYKSXCJPHNJMKA-HSZRJFAPSA-N 0 0 434.609 4.797 50 0 IJAARN CC(C)CNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1 ZINC000036045138 519741625 /nfs/dbraw/zinc/74/16/25/519741625.db2.gz PSXGLKCTHGEFNZ-UHFFFAOYSA-N 0 0 438.519 4.774 50 0 IJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[nH]c(=O)c21 ZINC000021784542 519784930 /nfs/dbraw/zinc/78/49/30/519784930.db2.gz OOFSIARTQIHQFB-KRWDZBQOSA-N 0 0 439.512 4.875 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 ZINC000035398035 519836193 /nfs/dbraw/zinc/83/61/93/519836193.db2.gz GHTAWLKFHSABOZ-QFIPXVFZSA-N 0 0 432.543 4.939 50 0 IJAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)cc1 ZINC000035532728 519837289 /nfs/dbraw/zinc/83/72/89/519837289.db2.gz KDIPTFIXUNZXGL-UHFFFAOYSA-N 0 0 427.599 4.931 50 0 IJAARN CC(C)c1ccccc1-n1c(SC[C@@H](O)COc2ccccc2)nnc1-c1cccnc1 ZINC000012544151 519844443 /nfs/dbraw/zinc/84/44/43/519844443.db2.gz XUCJUJJNBYAZJW-FQEVSTJZSA-N 0 0 446.576 4.985 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012760155 519846109 /nfs/dbraw/zinc/84/61/09/519846109.db2.gz VFQHVOHBMJTPSW-GOSISDBHSA-N 0 0 436.552 4.503 50 0 IJAARN CCOCCCn1c(Sc2ncnc3c4ccccc4oc32)nc2ccccc2c1=O ZINC000009812835 519901343 /nfs/dbraw/zinc/90/13/43/519901343.db2.gz QXUMDMNIWVDVJX-UHFFFAOYSA-N 0 0 432.505 4.664 50 0 IJAARN CCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000035723838 519934388 /nfs/dbraw/zinc/93/43/88/519934388.db2.gz BIJUUDZRTINEAZ-HXUWFJFHSA-N 0 0 436.581 4.760 50 0 IJAARN CCOCCOC(=O)c1ccc2c(c1)N(Cc1ccccn1)C(=O)c1ccccc1S2 ZINC000021939313 519975151 /nfs/dbraw/zinc/97/51/51/519975151.db2.gz VRGNKJCVSGDFDG-UHFFFAOYSA-N 0 0 434.517 4.587 50 0 IJAARN CCOCCn1cc(C2CCN(C(=O)CCCCCCC(=O)OC)CC2)c2ccccc21 ZINC000022624313 520071020 /nfs/dbraw/zinc/07/10/20/520071020.db2.gz GYVVVVJOKQANKZ-UHFFFAOYSA-N 0 0 442.600 4.897 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398176 520358938 /nfs/dbraw/zinc/35/89/38/520358938.db2.gz BCHQIRLRMNVCEG-HSZRJFAPSA-N 0 0 444.579 4.774 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)cc1 ZINC000035398305 520361255 /nfs/dbraw/zinc/36/12/55/520361255.db2.gz ZNFPEJFEQADEPS-QHCPKHFHSA-N 0 0 444.579 4.774 50 0 IJAARN CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(=O)C(C)C ZINC000036061059 520370076 /nfs/dbraw/zinc/37/00/76/520370076.db2.gz SAXKWZNGTPMALB-UHFFFAOYSA-N 0 0 448.567 4.608 50 0 IJAARN CCCSCCCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810813 520561599 /nfs/dbraw/zinc/56/15/99/520561599.db2.gz MHDKEHJGASWVMQ-DEOSSOPVSA-N 0 0 445.629 4.739 50 0 IJAARN CC1(C)C[C@](CCNC(=O)CCc2nnc(-c3ccsc3)o2)(c2ccccc2)CCO1 ZINC000012194469 520572061 /nfs/dbraw/zinc/57/20/61/520572061.db2.gz KDRPUPHLFRBQLV-XMMPIXPASA-N 0 0 439.581 4.764 50 0 IJAARN CCOc1c(Br)cc(Cl)cc1NC(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000022312621 520593344 /nfs/dbraw/zinc/59/33/44/520593344.db2.gz RSZSTZBPZFIKEU-ZDUSSCGKSA-N 0 0 445.766 4.769 50 0 IJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000023128368 520633250 /nfs/dbraw/zinc/63/32/50/520633250.db2.gz ORWCGQALLLPXMD-STZFKDTASA-N 0 0 426.538 4.689 50 0 IJAARN CCOc1cc(/C=C\C(=O)N2CCN(c3ccccc3F)CC2)ccc1OCC(C)C ZINC000033429400 520637395 /nfs/dbraw/zinc/63/73/95/520637395.db2.gz SYIFRPGWCPCZTK-BENRWUELSA-N 0 0 426.532 4.621 50 0 IJAARN CCOc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(Br)c1OC ZINC000012912092 520656453 /nfs/dbraw/zinc/65/64/53/520656453.db2.gz KVAHCOZRYIBNKW-UHFFFAOYSA-N 0 0 432.358 4.951 50 0 IJAARN CCOc1cc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(OCC)c1OCC ZINC000022087944 520667157 /nfs/dbraw/zinc/66/71/57/520667157.db2.gz IQXVYACZWNASMJ-UHFFFAOYSA-N 0 0 435.524 4.809 50 0 IJAARN CCOc1cc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc(OCC)c1OCC ZINC000012378189 520669578 /nfs/dbraw/zinc/66/95/78/520669578.db2.gz BSEHJUJTBHGUCY-UHFFFAOYSA-N 0 0 444.509 4.531 50 0 IJAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O ZINC000021523871 520779607 /nfs/dbraw/zinc/77/96/07/520779607.db2.gz XVBMYWYDKJXMHZ-FQEVSTJZSA-N 0 0 429.929 4.713 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1 ZINC000012805481 520786946 /nfs/dbraw/zinc/78/69/46/520786946.db2.gz NXMXDYJBYZZDPT-UHFFFAOYSA-N 0 0 432.567 4.525 50 0 IJAARN CCOc1ccc(-c2cc(NC(=O)CCSCCc3ccccn3)on2)cc1OCC ZINC000020677007 520806721 /nfs/dbraw/zinc/80/67/21/520806721.db2.gz WHNLEJYVGKWTAY-UHFFFAOYSA-N 0 0 441.553 4.839 50 0 IJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000012441047 520808914 /nfs/dbraw/zinc/80/89/14/520808914.db2.gz MVGOPUPQCICLHU-UHFFFAOYSA-N 0 0 429.879 4.520 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(COc3ccc(-c4ccccc4)cc3)nc2c1 ZINC000012651145 520810033 /nfs/dbraw/zinc/81/00/33/520810033.db2.gz FLFIMUOXCGOCOP-UHFFFAOYSA-N 0 0 435.549 4.839 50 0 IJAARN CCC[C@@H](Sc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1)C(=O)OCC ZINC000035924535 520812174 /nfs/dbraw/zinc/81/21/74/520812174.db2.gz YHHIAPPRGGARSW-GFCCVEGCSA-N 0 0 433.477 4.633 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(NC(=O)c3ccccc3Cl)c2)NC(=O)N1C ZINC000035707576 520815322 /nfs/dbraw/zinc/81/53/22/520815322.db2.gz QKWCMBGSIDUHGM-HXUWFJFHSA-N 0 0 441.915 4.514 50 0 IJAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccc(C)cc4)c4ccccc4c3=O)n2)cc1 ZINC000033273837 520828627 /nfs/dbraw/zinc/82/86/27/520828627.db2.gz OQGXEMLYYHVYPY-UHFFFAOYSA-N 0 0 438.487 4.869 50 0 IJAARN CCCCOc1ccc(C(=O)Nc2nnc(S[C@@H](CCC)C(=O)OCC)s2)cc1 ZINC000035924532 520871477 /nfs/dbraw/zinc/87/14/77/520871477.db2.gz YOCPHTDWVDFRDP-INIZCTEOSA-N 0 0 437.587 4.793 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)o2)cc1 ZINC000012635485 520877533 /nfs/dbraw/zinc/87/75/33/520877533.db2.gz MZQYBYIYJSWRJM-MRXNPFEDSA-N 0 0 438.553 4.905 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3ccccc3Cl)N2C1=O ZINC000021936372 520894236 /nfs/dbraw/zinc/89/42/36/520894236.db2.gz YQGCIELQCIHSNI-ACJLOTCBSA-N 0 0 440.956 4.859 50 0 IJAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc32)CC1 ZINC000017097590 520949095 /nfs/dbraw/zinc/94/90/95/520949095.db2.gz JKWJJAGOPUJEOP-UHFFFAOYSA-N 0 0 431.536 4.741 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482083 521041297 /nfs/dbraw/zinc/04/12/97/521041297.db2.gz CHXQJAYQANNLBZ-DEOSSOPVSA-N 0 0 437.565 4.579 50 0 IJAARN CC1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)CC1 ZINC000012553526 521043355 /nfs/dbraw/zinc/04/33/55/521043355.db2.gz RVJUTSNTFLZLMH-HSZRJFAPSA-N 0 0 447.604 4.964 50 0 IJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2C)C1 ZINC000035987312 521112160 /nfs/dbraw/zinc/11/21/60/521112160.db2.gz XATOYOHUGPTJMT-HXUWFJFHSA-N 0 0 445.519 4.660 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000020531072 521168656 /nfs/dbraw/zinc/16/86/56/521168656.db2.gz VHZSPLRSKFZCTG-XMMPIXPASA-N 0 0 430.504 4.820 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)Nc2ccccc2F)s1 ZINC000033306507 521196270 /nfs/dbraw/zinc/19/62/70/521196270.db2.gz SHGYBJRBDFBWRP-CSKARUKUSA-N 0 0 435.502 4.503 50 0 IJAARN CCC(=O)Nc1ccc(-n2nc(OCCc3ccc(OC)cc3)nc2-c2cccs2)cc1 ZINC000037385525 521197302 /nfs/dbraw/zinc/19/73/02/521197302.db2.gz RWTQZMYSZAJPCZ-UHFFFAOYSA-N 0 0 448.548 4.974 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1OC ZINC000020464193 521269657 /nfs/dbraw/zinc/26/96/57/521269657.db2.gz BUQFCMKFAHMHEH-OAHLLOKOSA-N 0 0 434.521 4.672 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C4CCCC4)CC2)n1)CC[C@H](C)C3 ZINC000035866424 521313029 /nfs/dbraw/zinc/31/30/29/521313029.db2.gz FXQGJKKKRKZHIM-KRWDZBQOSA-N 0 0 440.657 4.998 50 0 IJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC3=O ZINC000012296569 521347512 /nfs/dbraw/zinc/34/75/12/521347512.db2.gz AFJANIIFFCUTEP-QGZVFWFLSA-N 0 0 438.476 4.786 50 0 biogenic IJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC(C)C)C(=O)c2ccc(Cl)cc2)c1C ZINC000036003538 521363771 /nfs/dbraw/zinc/36/37/71/521363771.db2.gz PLHRFJRJXMXULB-INIZCTEOSA-N 0 0 432.948 4.831 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)n1CC ZINC000036004892 521388453 /nfs/dbraw/zinc/38/84/53/521388453.db2.gz OFJDGLDOKHAJDN-MRXNPFEDSA-N 0 0 444.959 4.831 50 0 IJAARN CCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(Cl)cc3)c2c1=O ZINC000035462715 521393864 /nfs/dbraw/zinc/39/38/64/521393864.db2.gz YQTGDGYKCKAYRM-UHFFFAOYSA-N 0 0 434.927 4.957 50 0 IJAARN CCCCn1nnnc1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000020594946 521412439 /nfs/dbraw/zinc/41/24/39/521412439.db2.gz BPYCLVSJACPTRB-UHFFFAOYSA-N 0 0 436.343 4.980 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1ccc(OC)cc1)CO[C@H](C(C)C)C2 ZINC000012650362 521419184 /nfs/dbraw/zinc/41/91/84/521419184.db2.gz NVILJNZNEXDSNY-INIZCTEOSA-N 0 0 434.583 4.840 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Cl ZINC000009661914 521497703 /nfs/dbraw/zinc/49/77/03/521497703.db2.gz IUFQESSAQYQCPM-UHFFFAOYSA-N 0 0 432.904 4.947 50 0 IJAARN CCOc1ccccc1CNC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000021531238 521500991 /nfs/dbraw/zinc/50/09/91/521500991.db2.gz TXYZFZPFIHXXCK-UHFFFAOYSA-N 0 0 448.548 4.555 50 0 IJAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)NC3CCCCC3)c2c1 ZINC000032985742 521532576 /nfs/dbraw/zinc/53/25/76/521532576.db2.gz SNMUIIQROYDXHL-UHFFFAOYSA-N 0 0 432.520 4.906 50 0 IJAARN CCOc1ccccc1NC(=O)NCCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000033025487 521540174 /nfs/dbraw/zinc/54/01/74/521540174.db2.gz ASCGMJMCXLGSIM-UHFFFAOYSA-N 0 0 429.524 4.551 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000035506138 521542912 /nfs/dbraw/zinc/54/29/12/521542912.db2.gz UVSIGAQSJORQNV-UHFFFAOYSA-N 0 0 432.480 4.712 50 0 IJAARN CCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1 ZINC000020617447 521550241 /nfs/dbraw/zinc/55/02/41/521550241.db2.gz BEAZBILEJCCORS-SGEDCAFJSA-N 0 0 443.503 4.820 50 0 IJAARN CCOc1ccccc1OCCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000012506527 521563158 /nfs/dbraw/zinc/56/31/58/521563158.db2.gz OYQPEMWWDUWUEP-IBGZPJMESA-N 0 0 427.570 4.731 50 0 IJAARN CCOC(=O)c1csc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)n1 ZINC000035746806 521590395 /nfs/dbraw/zinc/59/03/95/521590395.db2.gz GMVIRCRSHYXJRO-UHFFFAOYSA-N 0 0 426.523 4.761 50 0 IJAARN CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1ccccc1C(F)(F)F ZINC000041089908 521680333 /nfs/dbraw/zinc/68/03/33/521680333.db2.gz FBWILRFDVPLYMK-UHFFFAOYSA-N 0 0 433.430 5.000 50 0 IJAARN CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1 ZINC000035472810 521686682 /nfs/dbraw/zinc/68/66/82/521686682.db2.gz XGWLCGFFSLVYLO-UHFFFAOYSA-N 0 0 433.913 4.504 50 0 IJAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)Nc3ccccc3C)cc2)C(C(=O)OC)=C1C ZINC000035711940 521701153 /nfs/dbraw/zinc/70/11/53/521701153.db2.gz ZLYUQZVRIUYYKQ-NRFANRHFSA-N 0 0 436.512 4.562 50 0 IJAARN CCCN1C(=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012411079 521701314 /nfs/dbraw/zinc/70/13/14/521701314.db2.gz ZUFQPUIJEJERAL-HSZRJFAPSA-N 0 0 445.485 4.672 50 0 IJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(OC)c2)n1 ZINC000022815325 521703248 /nfs/dbraw/zinc/70/32/48/521703248.db2.gz DIZYMWHKBYMVAS-NRFANRHFSA-N 0 0 436.537 4.813 50 0 IJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1 ZINC000021892409 521711914 /nfs/dbraw/zinc/71/19/14/521711914.db2.gz SMZSLDGESGSFBF-HSZRJFAPSA-N 0 0 425.479 4.797 50 0 IJAARN CCSc1ncc(Cl)c(C(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(C)cc2C)n1 ZINC000041157965 521788045 /nfs/dbraw/zinc/78/80/45/521788045.db2.gz CACKPTVZTQPZQQ-QGZVFWFLSA-N 0 0 434.993 4.642 50 0 IJAARN COC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)cc1 ZINC000012569396 522003057 /nfs/dbraw/zinc/00/30/57/522003057.db2.gz JFZSQACKGYISRC-UHFFFAOYSA-N 0 0 447.915 4.657 50 0 IJAARN COCCc1ccc(-c2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)cc1 ZINC000022142338 522010415 /nfs/dbraw/zinc/01/04/15/522010415.db2.gz PUJWIIHLWYDORN-LJQANCHMSA-N 0 0 435.549 4.529 50 0 IJAARN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000239174518 522077754 /nfs/dbraw/zinc/07/77/54/522077754.db2.gz QEDNTYPEHCZCCK-CXSMSNRLSA-N 0 0 437.495 4.716 50 0 IJAARN COc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)c2ccccc2n1 ZINC000012319745 522092587 /nfs/dbraw/zinc/09/25/87/522092587.db2.gz WUHOKDMKBZCLGA-AREMUKBSSA-N 0 0 434.499 4.908 50 0 IJAARN COC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c(OC)c1 ZINC000012739407 522148657 /nfs/dbraw/zinc/14/86/57/522148657.db2.gz INGLMFKJCGZEKC-UHFFFAOYSA-N 0 0 433.489 4.830 50 0 IJAARN CC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036010038 522212363 /nfs/dbraw/zinc/21/23/63/522212363.db2.gz ZGEMHLWMROVFPN-BDJLRTHQSA-N 0 0 441.384 4.713 50 0 IJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(C[C@H]1CCCO1)C(=O)NC(C)(C)C ZINC000035945034 522221957 /nfs/dbraw/zinc/22/19/57/522221957.db2.gz YPTNLCYGQYQTHK-HXUWFJFHSA-N 0 0 446.636 4.616 50 0 IJAARN COC(=O)c1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(cccc2Cl)s1 ZINC000022807935 522257049 /nfs/dbraw/zinc/25/70/49/522257049.db2.gz MIWVTDSRFRMAFL-UHFFFAOYSA-N 0 0 437.908 4.978 50 0 IJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000035537674 522310795 /nfs/dbraw/zinc/31/07/95/522310795.db2.gz JKFBUADCDLLIHH-FOIQADDNSA-N 0 0 439.512 4.588 50 0 IJAARN COc1cc(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc(OC)c1OC ZINC000012751064 522319139 /nfs/dbraw/zinc/31/91/39/522319139.db2.gz LZZVCNAJAHRQBW-OVALSLBJSA-N 0 0 443.543 4.668 50 0 IJAARN COc1cc(CC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc(OC)c1OC ZINC000012751058 522319825 /nfs/dbraw/zinc/31/98/25/522319825.db2.gz LZZVCNAJAHRQBW-QYVVGCJJSA-N 0 0 443.543 4.668 50 0 IJAARN CCc1nc(CN2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)cc2C)cs1 ZINC000012642332 522324878 /nfs/dbraw/zinc/32/48/78/522324878.db2.gz DLADZFXLLFYHPE-OAQYLSRUSA-N 0 0 434.565 4.678 50 0 IJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2cc(-c3ccco3)on2)nc1 ZINC000012532894 522414566 /nfs/dbraw/zinc/41/45/66/522414566.db2.gz GVGLYOZAULYPIG-UHFFFAOYSA-N 0 0 433.555 4.575 50 0 IJAARN CC[C@@H](C)c1nc2c(cnn2-c2ccccc2Cl)c(NC2CCC(NC(C)=O)CC2)n1 ZINC000036003006 522440512 /nfs/dbraw/zinc/44/05/12/522440512.db2.gz DPIBHQSFCAVURS-ODIFPOPNSA-N 0 0 440.979 4.842 50 0 IJAARN CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000035948897 522452277 /nfs/dbraw/zinc/45/22/77/522452277.db2.gz PDLAQTHHQWAQCB-QGZVFWFLSA-N 0 0 432.977 4.519 50 0 IJAARN CCc1nc2ccc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)cc2nc1CC ZINC000022749772 522494506 /nfs/dbraw/zinc/49/45/06/522494506.db2.gz ZFBWQSZTLSUJIX-QFIPXVFZSA-N 0 0 433.943 4.661 50 0 IJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSCc1cccc(Cl)c1 ZINC000012552351 522497051 /nfs/dbraw/zinc/49/70/51/522497051.db2.gz ZVZQJLLEPGJZQE-UHFFFAOYSA-N 0 0 431.772 4.977 50 0 IJAARN COc1cc(COC(=O)CSc2ncnc3c4ccccc4oc32)ccc1OC(F)F ZINC000012825338 522498327 /nfs/dbraw/zinc/49/83/27/522498327.db2.gz QZODXZVEBCBIEV-UHFFFAOYSA-N 0 0 446.431 4.822 50 0 IJAARN COc1cc(CSCc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc(OC)c1 ZINC000012287280 522501203 /nfs/dbraw/zinc/50/12/03/522501203.db2.gz NLSCZHCPGRIAPN-UHFFFAOYSA-N 0 0 444.534 4.575 50 0 IJAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000018113328 522823605 /nfs/dbraw/zinc/82/36/05/522823605.db2.gz YNBVLZCFPMEYQD-UHFFFAOYSA-N 0 0 435.398 4.921 50 0 IJAARN COc1cc(OC)cc([C@H](NC(=O)c2sc3sccc3c2Cl)c2nccn2C)c1 ZINC000012739474 522884652 /nfs/dbraw/zinc/88/46/52/522884652.db2.gz PKDLBFMYBAUHEI-INIZCTEOSA-N 0 0 447.969 4.886 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(C)C)C(=O)N21)C(=O)Nc1ccccc1 ZINC000021936892 522917687 /nfs/dbraw/zinc/91/76/87/522917687.db2.gz JLVJOCQFXIDWBN-UXHICEINSA-N 0 0 434.565 4.842 50 0 IJAARN COc1cc([C@@H]2SCC(=O)Nc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1 ZINC000020898883 522932694 /nfs/dbraw/zinc/93/26/94/522932694.db2.gz WQMMJTPPTOZHPM-FQEVSTJZSA-N 0 0 429.929 4.734 50 0 IJAARN CN(CN1c2cccc(Br)c2C(=O)C1=O)C(c1ccccc1)c1ccccc1 ZINC000022419656 523009764 /nfs/dbraw/zinc/00/97/64/523009764.db2.gz SZJJSQODGOHSKB-UHFFFAOYSA-N 0 0 435.321 4.657 50 0 IJAARN COc1cc2c(cc1OC)CN(C(=O)c1sc(-c3ccccc3Cl)nc1C)CC2 ZINC000012391358 523030411 /nfs/dbraw/zinc/03/04/11/523030411.db2.gz HTYMTGDRLAQLRZ-UHFFFAOYSA-N 0 0 428.941 4.988 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccccc1C)N(Cc1ccc(F)cc1)CC2 ZINC000036040800 523036237 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ZINC000012690807 523177528 /nfs/dbraw/zinc/17/75/28/523177528.db2.gz UCNGRJBGHMFRIW-UHFFFAOYSA-N 0 0 444.560 4.801 50 0 IJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000035454931 523179168 /nfs/dbraw/zinc/17/91/68/523179168.db2.gz GVXKEZJGYHTEMS-LJQANCHMSA-N 0 0 446.613 4.937 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cs2)cc1OC ZINC000021636244 523189267 /nfs/dbraw/zinc/18/92/67/523189267.db2.gz YVNZTDUOTYTWDV-UHFFFAOYSA-N 0 0 449.532 4.988 50 0 IJAARN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000017097292 523196635 /nfs/dbraw/zinc/19/66/35/523196635.db2.gz MQAZBMBPUDDFRY-UHFFFAOYSA-N 0 0 430.961 4.878 50 0 IJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000033064343 523198935 /nfs/dbraw/zinc/19/89/35/523198935.db2.gz VVISQKMYCHGWQG-UHFFFAOYSA-N 0 0 440.956 4.973 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000012695031 523241999 /nfs/dbraw/zinc/24/19/99/523241999.db2.gz FLRZGNSYWNURRB-HSZRJFAPSA-N 0 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ZINC000035909212 523419796 /nfs/dbraw/zinc/41/97/96/523419796.db2.gz VJYZECWVYKTLNW-HSZRJFAPSA-N 0 0 448.494 4.786 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909474 523422865 /nfs/dbraw/zinc/42/28/65/523422865.db2.gz QMWASYLPPOLJRC-JOCHJYFZSA-N 0 0 436.458 4.917 50 0 IJAARN COc1ccc(/C=C\C(=O)Nc2cc(C)on2)cc1COc1ccc(Br)cc1 ZINC000012649779 523430636 /nfs/dbraw/zinc/43/06/36/523430636.db2.gz ZHTMXCBEYMIWID-WMZJFQQLSA-N 0 0 443.297 4.985 50 0 IJAARN COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000012437376 523476554 /nfs/dbraw/zinc/47/65/54/523476554.db2.gz ZMHQKFYOJJWQMP-IZHYLOQSSA-N 0 0 435.501 4.824 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2[nH]1 ZINC000012301564 523488355 /nfs/dbraw/zinc/48/83/55/523488355.db2.gz OODDLSFSSLSWML-UHFFFAOYSA-N 0 0 437.503 4.776 50 0 IJAARN COc1ccc(Br)cc1CN(C)C(=O)c1c(C)nn(Cc2ccccc2)c1C ZINC000020922986 523496896 /nfs/dbraw/zinc/49/68/96/523496896.db2.gz DIOAJWISJPZYSU-UHFFFAOYSA-N 0 0 442.357 4.592 50 0 IJAARN COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(C)cc1 ZINC000012322795 523499852 /nfs/dbraw/zinc/49/98/52/523499852.db2.gz APOKNNXXMCVYKN-UHFFFAOYSA-N 0 0 440.565 4.535 50 0 IJAARN COCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1csc(C)n1 ZINC000012369691 523502319 /nfs/dbraw/zinc/50/23/19/523502319.db2.gz IFGQIBHBGVKFBD-UHFFFAOYSA-N 0 0 445.614 4.601 50 0 IJAARN CN(Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012575819 523520961 /nfs/dbraw/zinc/52/09/61/523520961.db2.gz LOJAIJUUGFOBLH-RUZDIDTESA-N 0 0 428.511 4.882 50 0 IJAARN CN(Cc1cscn1)Cc1cccc(OC2CCN(C(=O)CC3CCCC3)CC2)c1 ZINC000012157099 523540158 /nfs/dbraw/zinc/54/01/58/523540158.db2.gz QAYKLCNUHVKRAC-UHFFFAOYSA-N 0 0 427.614 4.725 50 0 IJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccccc3OC)cc2CN(Cc2ccccc2)C1=O ZINC000035873056 523606912 /nfs/dbraw/zinc/60/69/12/523606912.db2.gz RVRVWJDMBMGYRV-QFIPXVFZSA-N 0 0 430.504 4.647 50 0 IJAARN CN(Cc1nnc(SCc2ccncc2)n1C)Cc1cccc(Oc2ccccc2)c1 ZINC000014981643 523610545 /nfs/dbraw/zinc/61/05/45/523610545.db2.gz WRLPPIGEKNDWND-UHFFFAOYSA-N 0 0 431.565 4.927 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C)CC2CC2)cc1 ZINC000035946258 523617100 /nfs/dbraw/zinc/61/71/00/523617100.db2.gz OPYDLKPDYGGZKY-UHFFFAOYSA-N 0 0 435.568 4.552 50 0 IJAARN COc1ccc(C(=O)N2CCN(C(=O)c3oc4c(ccc5ccccc45)c3C)CC2)cc1 ZINC000023100145 523648500 /nfs/dbraw/zinc/64/85/00/523648500.db2.gz SKTYPVWBKUGTAC-UHFFFAOYSA-N 0 0 428.488 4.501 50 0 IJAARN CC[S@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022227763 523655436 /nfs/dbraw/zinc/65/54/36/523655436.db2.gz VZKTYAGTUMTVDS-AUMHUTNHSA-N 0 0 437.517 4.790 50 0 IJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccc3c(c1)OCO3)[C@H]2c1ccccc1 ZINC000021045741 523718534 /nfs/dbraw/zinc/71/85/34/523718534.db2.gz ZBMFYFRXTPHZRR-VWLOTQADSA-N 0 0 448.588 4.612 50 0 IJAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1S(=O)(=O)NC1CCCC1 ZINC000036739553 523721358 /nfs/dbraw/zinc/72/13/58/523721358.db2.gz XJSTYIJMSJKPMH-KRWDZBQOSA-N 0 0 444.597 4.531 50 0 IJAARN CN1C2=C(C(=O)N(CCc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035834757 523739016 /nfs/dbraw/zinc/73/90/16/523739016.db2.gz ZGPUYHIFNIAZGA-VWLOTQADSA-N 0 0 439.515 4.514 50 0 IJAARN CC[C@H](C(=O)N1CCC[C@@H](COc2cccc(C(=O)N3CCCC3)c2)C1)c1ccccc1 ZINC000033311402 523759370 /nfs/dbraw/zinc/75/93/70/523759370.db2.gz KQKMVCNNDSKJNP-BWKNWUBXSA-N 0 0 434.580 4.734 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000021156899 523835087 /nfs/dbraw/zinc/83/50/87/523835087.db2.gz GMPAFTZLCYXFLP-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000022811000 523836875 /nfs/dbraw/zinc/83/68/75/523836875.db2.gz ZDHQJQXZRIKWRC-XMMPIXPASA-N 0 0 435.593 4.563 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000012780770 523839126 /nfs/dbraw/zinc/83/91/26/523839126.db2.gz PLFZQWQVIPNSTO-UQBPGWFLSA-N 0 0 441.535 4.615 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000021822209 523839580 /nfs/dbraw/zinc/83/95/80/523839580.db2.gz QJRPQIFOPUODFD-SANMLTNESA-N 0 0 429.564 4.501 50 0 IJAARN CCc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)cs2)cc1 ZINC000022284331 523858663 /nfs/dbraw/zinc/85/86/63/523858663.db2.gz OPACVHZFVUCPDH-UHFFFAOYSA-N 0 0 435.549 4.689 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2cc(Cl)ccc2C)c3=O)cc1 ZINC000033128614 523865617 /nfs/dbraw/zinc/86/56/17/523865617.db2.gz VSXADTGWLRPYTO-UHFFFAOYSA-N 0 0 436.899 4.605 50 0 IJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cccc(Cl)c3)c2=O)CCC4)cc1 ZINC000002687325 523866324 /nfs/dbraw/zinc/86/63/24/523866324.db2.gz JSABSBZWAPWLFT-UHFFFAOYSA-N 0 0 436.964 4.967 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000020943320 523868036 /nfs/dbraw/zinc/86/80/36/523868036.db2.gz XFNZISCUSWMDCS-UHFFFAOYSA-N 0 0 427.508 4.810 50 0 IJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2C)cc1 ZINC000020617512 523876446 /nfs/dbraw/zinc/87/64/46/523876446.db2.gz IFQXKFOGZQIGOO-SGEDCAFJSA-N 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CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4cccnc4)c3)C2)cc1 ZINC000033034797 523884540 /nfs/dbraw/zinc/88/45/40/523884540.db2.gz AATVJJYYITTYKT-RUZDIDTESA-N 0 0 427.548 4.594 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2Sc2ccccc2C1=O ZINC000021355339 523888597 /nfs/dbraw/zinc/88/85/97/523888597.db2.gz JUCONZUPGQILDM-UHFFFAOYSA-N 0 0 436.508 4.765 50 0 IJAARN COc1ccc(CC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1OC ZINC000032961070 523910484 /nfs/dbraw/zinc/91/04/84/523910484.db2.gz FCKQKBHBLDKULF-UHFFFAOYSA-N 0 0 447.516 4.747 50 0 IJAARN COC(=O)[C@H](NC(=O)NC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2)c1ccccc1 ZINC000012276980 523917905 /nfs/dbraw/zinc/91/79/05/523917905.db2.gz LOFRWOSPRKIQQQ-KVZSWVQQSA-N 0 0 432.564 4.799 50 0 IJAARN CCc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 ZINC000015868721 523938268 /nfs/dbraw/zinc/93/82/68/523938268.db2.gz UNNSFCPFCOQQJG-GOSISDBHSA-N 0 0 447.579 4.544 50 0 IJAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000012312052 523960003 /nfs/dbraw/zinc/96/00/03/523960003.db2.gz ZIANRDGRGNYZPX-UHFFFAOYSA-N 0 0 445.588 4.739 50 0 IJAARN COc1ccc(CCNC(=O)c2cc3ccsc3n2Cc2cccc(F)c2)cc1OC ZINC000035843860 523969606 /nfs/dbraw/zinc/96/96/06/523969606.db2.gz OIGYKHLSMUQRAE-UHFFFAOYSA-N 0 0 438.524 4.880 50 0 IJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 ZINC000012597846 523976083 /nfs/dbraw/zinc/97/60/83/523976083.db2.gz BVSDFCPZSHNUDV-AWEZNQCLSA-N 0 0 430.961 4.603 50 0 IJAARN COc1ccc(CN(C(=O)Nc2ccc(C)c(Cl)c2)C2CCN(C(C)=O)CC2)cc1 ZINC000020927576 523989379 /nfs/dbraw/zinc/98/93/79/523989379.db2.gz BIKBCSASVZRFSL-UHFFFAOYSA-N 0 0 429.948 4.702 50 0 IJAARN COc1ccc(CN2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000021661373 524019779 /nfs/dbraw/zinc/01/97/79/524019779.db2.gz MQECGLGZWLDPOT-UHFFFAOYSA-N 0 0 436.533 4.643 50 0 IJAARN CCc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cc(C(=O)C(=O)N4CCCCCC4)c3c2)cc1 ZINC000033310118 524024077 /nfs/dbraw/zinc/02/40/77/524024077.db2.gz OIWSSJDQPJTAJY-GOSISDBHSA-N 0 0 445.563 4.807 50 0 IJAARN Cc1ccc(C)c(CN(C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c2ccc(C(C)C)cc2)c1 ZINC000021167275 524097926 /nfs/dbraw/zinc/09/79/26/524097926.db2.gz KEKWFCVCPLMPAE-VXKWHMMOSA-N 0 0 428.623 4.702 50 0 IJAARN COc1ccc(COC[C@@H](O)Cn2c3ccccc3nc2[C@@H](C)Oc2ccccc2)cc1 ZINC000012506868 524117407 /nfs/dbraw/zinc/11/74/07/524117407.db2.gz PPKDLALMYMYESJ-CTNGQTDRSA-N 0 0 432.520 4.763 50 0 IJAARN COc1ccc(COC[C@H](O)Cn2c3ccccc3nc2[C@@H](C)Oc2ccccc2)cc1 ZINC000012506869 524118087 /nfs/dbraw/zinc/11/80/87/524118087.db2.gz PPKDLALMYMYESJ-TZIWHRDSSA-N 0 0 432.520 4.763 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3nc(N4CCC[C@H](C)C4)sc32)c1 ZINC000035533746 524138481 /nfs/dbraw/zinc/13/84/81/524138481.db2.gz AOJAAYGTCNJQLO-AWEZNQCLSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1cccc(-n2nnnc2S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1C ZINC000012683196 524149359 /nfs/dbraw/zinc/14/93/59/524149359.db2.gz ZUNDBYOBLPPIKW-OAQYLSRUSA-N 0 0 433.512 4.890 50 0 IJAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000012506103 524179758 /nfs/dbraw/zinc/17/97/58/524179758.db2.gz YWEQXIULSGOPDF-IRLDBZIGSA-N 0 0 443.547 4.584 50 0 IJAARN COc1cccc([C@H]2[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928090 524186378 /nfs/dbraw/zinc/18/63/78/524186378.db2.gz IWEQWINGJNXZAC-DQEYMECFSA-N 0 0 444.506 4.594 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccco2)c1OC ZINC000012112272 524189550 /nfs/dbraw/zinc/18/95/50/524189550.db2.gz NKVFLFUIZFGDPX-VWLOTQADSA-N 0 0 430.504 4.885 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000012434485 524221715 /nfs/dbraw/zinc/22/17/15/524221715.db2.gz HZURNUXRQXAIIE-KRWDZBQOSA-N 0 0 443.975 4.686 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000012876467 524223999 /nfs/dbraw/zinc/22/39/99/524223999.db2.gz HKAPUZHAHFDHSN-HNNXBMFYSA-N 0 0 431.964 4.544 50 0 IJAARN Cc1ccc(C2(c3noc(CN4CCC[C@@H](C(=O)c5ccccn5)C4)n3)CCCC2)cc1 ZINC000012386852 524228296 /nfs/dbraw/zinc/22/82/96/524228296.db2.gz GSEFFZVRULHOEJ-HXUWFJFHSA-N 0 0 430.552 4.728 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCCCc3ccccc3)C(=O)C2)cc1C ZINC000015770948 524237170 /nfs/dbraw/zinc/23/71/70/524237170.db2.gz UDFCKEDUMABNPO-UHFFFAOYSA-N 0 0 439.559 4.910 50 0 IJAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000009664020 524246075 /nfs/dbraw/zinc/24/60/75/524246075.db2.gz KAIQPLHBMYDEBX-UHFFFAOYSA-N 0 0 431.521 4.802 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565073 524247314 /nfs/dbraw/zinc/24/73/14/524247314.db2.gz XCRFRJUAJOULFW-GOSISDBHSA-N 0 0 446.576 4.977 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000020945591 524247886 /nfs/dbraw/zinc/24/78/86/524247886.db2.gz IIPOGMZGFVNKJG-OYRHEFFESA-N 0 0 429.564 4.584 50 0 IJAARN COc1cccc2ccc(/C=C/c3cc(I)ccc3OC(C)=O)nc21 ZINC000012380018 524262905 /nfs/dbraw/zinc/26/29/05/524262905.db2.gz YTKKJUYKKUSIGY-JXMROGBWSA-N 0 0 445.256 4.944 50 0 IJAARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000022784624 524265997 /nfs/dbraw/zinc/26/59/97/524265997.db2.gz KLSLKMDLBURRPC-IBGZPJMESA-N 0 0 437.971 4.517 50 0 IJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000012690513 524281187 /nfs/dbraw/zinc/28/11/87/524281187.db2.gz BUDKMRWJVHESAB-UHFFFAOYSA-N 0 0 444.560 4.645 50 0 IJAARN COc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1N1CCCCC1 ZINC000012527623 524302471 /nfs/dbraw/zinc/30/24/71/524302471.db2.gz MHXPKWNUNKYESU-HNNXBMFYSA-N 0 0 428.562 4.626 50 0 IJAARN C[C@H](CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)c1ccccc1 ZINC000021863931 524311086 /nfs/dbraw/zinc/31/10/86/524311086.db2.gz HGEOGQCJLDWETJ-XHCCPWGMSA-N 0 0 445.563 4.825 50 0 IJAARN C[C@H](CN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1)c1ccccc1 ZINC000021810977 524312515 /nfs/dbraw/zinc/31/25/15/524312515.db2.gz NAFPVKCFFGITIS-WDHOLSLWSA-N 0 0 447.579 4.947 50 0 IJAARN COc1ccccc1C(=O)N1CCN(C2=Nc3ccccc3Oc3ccc(C)cc32)CC1 ZINC000034813598 524342982 /nfs/dbraw/zinc/34/29/82/524342982.db2.gz BKRGVSWXDBBYDA-UHFFFAOYSA-N 0 0 427.504 4.646 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000015598666 524356080 /nfs/dbraw/zinc/35/60/80/524356080.db2.gz QYLDWLMJVXQJBM-UHFFFAOYSA-N 0 0 448.500 4.601 50 0 IJAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCc3ccccn3)cc2)cc1 ZINC000034675974 524359453 /nfs/dbraw/zinc/35/94/53/524359453.db2.gz ZVCKAYQOXKKKQY-UHFFFAOYSA-N 0 0 439.515 4.689 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)c2ccc(F)cc2)C1 ZINC000035835415 524373721 /nfs/dbraw/zinc/37/37/21/524373721.db2.gz QSFSIZJIYLBDQI-HXUWFJFHSA-N 0 0 436.458 4.809 50 0 IJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C4CC4)s3)[C@@H]2c2ccccc2)cc1 ZINC000023968001 524388008 /nfs/dbraw/zinc/38/80/08/524388008.db2.gz YAYCRADZYCJVAY-CTNGQTDRSA-N 0 0 448.548 4.547 50 0 IJAARN COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@@H]2c2cccnc2)cc1 ZINC000035225359 524400494 /nfs/dbraw/zinc/40/04/94/524400494.db2.gz JQCWYXMBRPSKDQ-DQEYMECFSA-N 0 0 443.547 4.738 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021863831 524413905 /nfs/dbraw/zinc/41/39/05/524413905.db2.gz KTLYECRHOOMYRB-AREMUKBSSA-N 0 0 431.536 4.843 50 0 IJAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@H](c3ccc(F)c(C)c3)N(C(=O)NC(C)C)C2)c1 ZINC000034716002 524423045 /nfs/dbraw/zinc/42/30/45/524423045.db2.gz OWHSCFJGMUQJMG-FYYLOGMGSA-N 0 0 425.548 4.630 50 0 IJAARN Cc1cc(C)cc(OCCOc2ccc(Br)cc2C=C2SC(=O)NC2=O)c1 ZINC000015800601 524449847 /nfs/dbraw/zinc/44/98/47/524449847.db2.gz AVDZFMVNSPWOBC-WQRHYEAKSA-N 0 0 448.338 4.848 50 0 IJAARN COc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000021934980 524481630 /nfs/dbraw/zinc/48/16/30/524481630.db2.gz RXIMYMJVGSQNEI-UHFFFAOYSA-N 0 0 448.320 4.998 50 0 IJAARN COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000012382975 524490736 /nfs/dbraw/zinc/49/07/36/524490736.db2.gz VVIKISAVPOZEQI-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccncc3)n2C)c1 ZINC000012690307 524527310 /nfs/dbraw/zinc/52/73/10/524527310.db2.gz ABLMBAMOBPCRBK-UHFFFAOYSA-N 0 0 429.549 4.511 50 0 IJAARN COc1ccc(NC(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1OC ZINC000021932143 524571245 /nfs/dbraw/zinc/57/12/45/524571245.db2.gz MUCPHWPNMHJWKE-OAQYLSRUSA-N 0 0 448.454 4.804 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1Cl ZINC000033128127 524607535 /nfs/dbraw/zinc/60/75/35/524607535.db2.gz LPWZSMKVSOBXDZ-HNNXBMFYSA-N 0 0 443.956 4.631 50 0 IJAARN COc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000012285072 524627510 /nfs/dbraw/zinc/62/75/10/524627510.db2.gz WQXQHNGLFPYYDO-RUZDIDTESA-N 0 0 432.545 4.764 50 0 IJAARN COc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000012285071 524628614 /nfs/dbraw/zinc/62/86/14/524628614.db2.gz WQXQHNGLFPYYDO-VWLOTQADSA-N 0 0 432.545 4.764 50 0 IJAARN Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)c1 ZINC000021936986 524644393 /nfs/dbraw/zinc/64/43/93/524644393.db2.gz BFNHLYZAZJSTHY-UZLBHIALSA-N 0 0 434.565 4.760 50 0 IJAARN Cc1cccc(NC(=O)[C@H](C)SC2=Nc3ccccc3C3=N[C@@H](CC(C)C)C(=O)N32)c1 ZINC000021936978 524653341 /nfs/dbraw/zinc/65/33/41/524653341.db2.gz BFNHLYZAZJSTHY-JXFKEZNVSA-N 0 0 434.565 4.760 50 0 IJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)s1 ZINC000012592331 524653665 /nfs/dbraw/zinc/65/36/65/524653665.db2.gz PAMNDVOOJHDGHF-JKSUJKDBSA-N 0 0 442.610 4.908 50 0 IJAARN Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)CCC(=O)N2)cc1 ZINC000012338053 524687240 /nfs/dbraw/zinc/68/72/40/524687240.db2.gz NYFNIGKKBLNPBS-HFZDXXHNSA-N 0 0 447.604 4.940 50 0 IJAARN COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC(C)C)cc2)C3)c(OC)c1 ZINC000021639619 524722048 /nfs/dbraw/zinc/72/20/48/524722048.db2.gz NFKLWNUWJPKSIP-UHFFFAOYSA-N 0 0 434.540 4.583 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 ZINC000020485111 524732336 /nfs/dbraw/zinc/73/23/36/524732336.db2.gz KLAPMLDCZXTCSG-UHFFFAOYSA-N 0 0 438.984 4.617 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724428 524740826 /nfs/dbraw/zinc/74/08/26/524740826.db2.gz KGLZZCQNOSRURF-UHFFFAOYSA-N 0 0 428.895 4.688 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000021159296 524770605 /nfs/dbraw/zinc/77/06/05/524770605.db2.gz KARRLSXTCYWTGP-UHFFFAOYSA-N 0 0 438.575 4.926 50 0 IJAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000033168654 524811963 /nfs/dbraw/zinc/81/19/63/524811963.db2.gz YEDZSHNTZRMCLM-UHFFFAOYSA-N 0 0 436.556 4.608 50 0 IJAARN COc1cn(CC(=O)Nc2cccc(C)c2)c(CSc2ccc(Cl)cc2)cc1=O ZINC000015824613 524887500 /nfs/dbraw/zinc/88/75/00/524887500.db2.gz NRPUKKCXIMFBCL-UHFFFAOYSA-N 0 0 428.941 4.750 50 0 IJAARN Cc1ccc(N(Cc2ccccc2)C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 ZINC000012852731 524899945 /nfs/dbraw/zinc/89/99/45/524899945.db2.gz SUYPZZDCYPSSLG-HRFSGMKKSA-N 0 0 447.579 4.665 50 0 IJAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001114375 524909306 /nfs/dbraw/zinc/90/93/06/524909306.db2.gz KTGQFSUQKXEJHD-OAHLLOKOSA-N 0 0 426.866 4.783 50 0 IJAARN COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000021788230 524918171 /nfs/dbraw/zinc/91/81/71/524918171.db2.gz IBAYBCXCLBIPNU-OAQYLSRUSA-N 0 0 443.956 4.934 50 0 IJAARN Cc1ccc(N2CCN(CN3C(=O)S/C(=C\c4ccccc4F)C3=O)CC2)cc1Cl ZINC000033294672 524964372 /nfs/dbraw/zinc/96/43/72/524964372.db2.gz CROLNNNUSBQXDZ-NDENLUEZSA-N 0 0 445.947 4.604 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)nc21 ZINC000035590017 524999160 /nfs/dbraw/zinc/99/91/60/524999160.db2.gz NFEIFXATUZXXHF-SFHVURJKSA-N 0 0 442.544 4.586 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc4ccccn43)nc21 ZINC000018474260 524999822 /nfs/dbraw/zinc/99/98/22/524999822.db2.gz IVWDBSNAHYTGQR-UHFFFAOYSA-N 0 0 445.573 4.973 50 0 IJAARN Cc1cc(F)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000041125466 525000283 /nfs/dbraw/zinc/00/02/83/525000283.db2.gz UOBIRCUAIRLMFE-OAQYLSRUSA-N 0 0 441.524 4.558 50 0 IJAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)c3c(F)cccc3F)s2)o1 ZINC000021359250 525014431 /nfs/dbraw/zinc/01/44/31/525014431.db2.gz CUPKDXAAATWZQZ-UHFFFAOYSA-N 0 0 445.476 4.719 50 0 IJAARN C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(SC(F)(F)F)cc3)n2)C[C@@H](C)O1 ZINC000012908454 525029279 /nfs/dbraw/zinc/02/92/79/525029279.db2.gz JNMDDXKSLRDQQS-VXGBXAGGSA-N 0 0 431.505 4.617 50 0 IJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000012536474 525043476 /nfs/dbraw/zinc/04/34/76/525043476.db2.gz HBAMDUYTZNDQOO-UHFFFAOYSA-N 0 0 442.441 4.863 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCC[C@@H](C)C4)sc32)cc1C ZINC000035533519 525084904 /nfs/dbraw/zinc/08/49/04/525084904.db2.gz IIWIOZSXKDRYAJ-CYBMUJFWSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1F ZINC000012414526 525099619 /nfs/dbraw/zinc/09/96/19/525099619.db2.gz GOXJKXALFQTZMW-UHFFFAOYSA-N 0 0 439.849 4.942 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021864804 525134511 /nfs/dbraw/zinc/13/45/11/525134511.db2.gz GVUZOFUIWLEZFK-SANMLTNESA-N 0 0 433.552 4.634 50 0 IJAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2CCc1ccccc1 ZINC000035529381 525187529 /nfs/dbraw/zinc/18/75/29/525187529.db2.gz JMMSDEVBHLXRPM-UHFFFAOYSA-N 0 0 432.574 4.949 50 0 IJAARN Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)n1C ZINC000012471203 525188212 /nfs/dbraw/zinc/18/82/12/525188212.db2.gz YXWSXDGPJZSAQF-MRXNPFEDSA-N 0 0 441.000 4.978 50 0 IJAARN COc1ccc([C@@H](NC(=O)Cn2cnc3cc(-c4ccccc4)sc3c2=O)C(C)C)cc1 ZINC000012798895 525194521 /nfs/dbraw/zinc/19/45/21/525194521.db2.gz PEPVDWXDSUAAGX-QHCPKHFHSA-N 0 0 447.560 4.647 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 ZINC000033128180 525195607 /nfs/dbraw/zinc/19/56/07/525195607.db2.gz FGBZPJRLKCSANG-MRXNPFEDSA-N 0 0 427.957 4.930 50 0 IJAARN COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)cc1 ZINC000012697851 525197406 /nfs/dbraw/zinc/19/74/06/525197406.db2.gz KLQZOXXBTAZQSK-DVECYGJZSA-N 0 0 434.923 4.607 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000033268600 525245406 /nfs/dbraw/zinc/24/54/06/525245406.db2.gz LTMIQUPPWXEIRD-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN Cc1ccccc1NC(=O)[C@@H](C)SC1=Nc2ccccc2C2=N[C@@H](CC(C)C)C(=O)N21 ZINC000021936970 525257609 /nfs/dbraw/zinc/25/76/09/525257609.db2.gz UHSNELXKNSENCS-UZLBHIALSA-N 0 0 434.565 4.760 50 0 IJAARN C[C@]1(Cc2ccccc2)OC(=O)N2CCN3C(=O)O[C@@](C)(Cc4ccccc4)[C@]3(C)C=C21 ZINC000012402533 525276710 /nfs/dbraw/zinc/27/67/10/525276710.db2.gz CFNIYDDQVPAUMY-ZNZIZOMTSA-N 0 0 432.520 4.550 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc(N2CCCC2)n1 ZINC000035477274 525304192 /nfs/dbraw/zinc/30/41/92/525304192.db2.gz OTMXBEQJYWIZPC-UHFFFAOYSA-N 0 0 432.484 4.502 50 0 IJAARN Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000015785831 525304863 /nfs/dbraw/zinc/30/48/63/525304863.db2.gz BQEWCGWADPZHGV-UHFFFAOYSA-N 0 0 426.293 4.977 50 0 IJAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012546172 525306630 /nfs/dbraw/zinc/30/66/30/525306630.db2.gz XEILDONCPIMFTI-WBVHZDCISA-N 0 0 447.988 4.726 50 0 IJAARN Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cc(C)ccc4C)CC3)nc(C)n2)cc1 ZINC000021795326 525322772 /nfs/dbraw/zinc/32/27/72/525322772.db2.gz IOJOSPQVIVUTNK-UHFFFAOYSA-N 0 0 430.556 4.808 50 0 IJAARN Cc1ccc(Nc2nc(CSc3nnc(COc4ccccc4F)n3N)cs2)cc1 ZINC000012597626 525324907 /nfs/dbraw/zinc/32/49/07/525324907.db2.gz AJJDTQMJAFRMKQ-UHFFFAOYSA-N 0 0 442.545 4.511 50 0 IJAARN Cc1ccccc1[C@H]1CCCN(C(=O)C2CCN(c3nc(C)c4ccccc4n3)CC2)C1 ZINC000014983167 525434324 /nfs/dbraw/zinc/43/43/24/525434324.db2.gz GGYFMYCKVQUBBX-QFIPXVFZSA-N 0 0 428.580 4.869 50 0 IJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cn3ccccc3n2)c(F)c1 ZINC000012445274 525437771 /nfs/dbraw/zinc/43/77/71/525437771.db2.gz SFMPCCNUSQTTCS-VWLOTQADSA-N 0 0 440.478 4.751 50 0 IJAARN Cc1ccc(Oc2cc(N3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)nc(C)n2)cc1 ZINC000012224306 525472099 /nfs/dbraw/zinc/47/20/99/525472099.db2.gz DNPVXGCQPGBALL-UHFFFAOYSA-N 0 0 435.503 4.687 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012639019 525527142 /nfs/dbraw/zinc/52/71/42/525527142.db2.gz RPXNJZNIWOZYJN-UHFFFAOYSA-N 0 0 448.588 4.689 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3-c3ccccc3)C2)s1 ZINC000012891949 525536122 /nfs/dbraw/zinc/53/61/22/525536122.db2.gz HMIQQKLASWTPQM-IBGZPJMESA-N 0 0 440.590 4.763 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000036040013 525544864 /nfs/dbraw/zinc/54/48/64/525544864.db2.gz JUQGYTLIFLVABO-DEOSSOPVSA-N 0 0 440.996 4.744 50 0 IJAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4cccnc43)cc2)cc1C ZINC000012691746 525577256 /nfs/dbraw/zinc/57/72/56/525577256.db2.gz SUHHNKWHMTWGFT-UHFFFAOYSA-N 0 0 445.544 4.582 50 0 IJAARN Cc1c(C(=O)N[C@@H](C)c2ccccc2)n(Cc2ccccc2F)c(C)c1N1CCOCC1 ZINC000035835002 525633438 /nfs/dbraw/zinc/63/34/38/525633438.db2.gz ICUWQQJSDLOAAV-IBGZPJMESA-N 0 0 435.543 4.620 50 0 IJAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCC1)N(c1cc(C)cc(C)c1)C3=O ZINC000021857490 525642317 /nfs/dbraw/zinc/64/23/17/525642317.db2.gz RPJIBDBGKVEPAU-MHZLTWQESA-N 0 0 445.563 4.745 50 0 IJAARN Cc1cc2nc(CN(C)Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)[nH]c2cc1C ZINC000020598545 525670002 /nfs/dbraw/zinc/67/00/02/525670002.db2.gz IRLCSTBLSRNXQT-UHFFFAOYSA-N 0 0 429.446 4.804 50 0 IJAARN Cc1c(C)n(-c2ncccc2C)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000021801604 525681661 /nfs/dbraw/zinc/68/16/61/525681661.db2.gz YDBYPCASFPQJJV-UHFFFAOYSA-N 0 0 441.520 4.822 50 0 IJAARN Cc1cc2nn(CN3CCN(C/C=C/c4ccccc4)CC3)c(=S)n2c2ccccc12 ZINC000022782893 525688295 /nfs/dbraw/zinc/68/82/95/525688295.db2.gz WSRQBEWLFIZAJU-JXMROGBWSA-N 0 0 429.593 4.615 50 0 IJAARN Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)c2cc1C(C)C ZINC000009664573 525689765 /nfs/dbraw/zinc/68/97/65/525689765.db2.gz BFKQKOVWOQEDNU-DEOSSOPVSA-N 0 0 438.911 4.845 50 0 IJAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)[nH]n2)cc1C ZINC000020562248 525721347 /nfs/dbraw/zinc/72/13/47/525721347.db2.gz TYAIQAKHDXMJBK-UHFFFAOYSA-N 0 0 428.458 4.675 50 0 IJAARN COc1cccc(-c2nc(CN3CCC[C@@H](C(=O)c4cccs4)C3)c(C)o2)c1OC ZINC000012300827 525722020 /nfs/dbraw/zinc/72/20/20/525722020.db2.gz VLCMVIXDWHHXFB-MRXNPFEDSA-N 0 0 426.538 4.824 50 0 IJAARN COc1cccc(-n2cnnc2SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000012542987 525754239 /nfs/dbraw/zinc/75/42/39/525754239.db2.gz BGYNNZAEHODIKP-UHFFFAOYSA-N 0 0 444.516 4.503 50 0 IJAARN COc1cccc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1OC(C)C ZINC000009310886 525764642 /nfs/dbraw/zinc/76/46/42/525764642.db2.gz CVENDLNBRQUXKS-YVLHZVERSA-N 0 0 435.307 4.882 50 0 IJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000012758168 525779489 /nfs/dbraw/zinc/77/94/89/525779489.db2.gz JWJOSFBFFBHHKO-NRFANRHFSA-N 0 0 434.590 4.894 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000020903007 525790589 /nfs/dbraw/zinc/79/05/89/525790589.db2.gz PHZIEHNJJWDZMX-VWLOTQADSA-N 0 0 435.955 4.768 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1ccccc1F ZINC000021855811 525792585 /nfs/dbraw/zinc/79/25/85/525792585.db2.gz UVPIFVCCQHCAFT-SANMLTNESA-N 0 0 433.527 4.644 50 0 IJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)o1 ZINC000251722363 525936266 /nfs/dbraw/zinc/93/62/66/525936266.db2.gz JYZDKWBDHJAOHG-ILXRZTDVSA-N 0 0 427.501 4.807 50 0 IJAARN CSc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 ZINC000021647916 525949787 /nfs/dbraw/zinc/94/97/87/525949787.db2.gz LFEWVNRKUONEMG-HNNXBMFYSA-N 0 0 449.985 4.680 50 0 IJAARN Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C(=O)c2ccco2)cc1 ZINC000035945751 525987856 /nfs/dbraw/zinc/98/78/56/525987856.db2.gz FWTKSERPJWQSTR-OAQYLSRUSA-N 0 0 435.911 4.691 50 0 IJAARN COc1cccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(Cl)c2C)c1 ZINC000020579052 526002146 /nfs/dbraw/zinc/00/21/46/526002146.db2.gz WDPVXTDZDOQMHF-UHFFFAOYSA-N 0 0 434.927 4.938 50 0 IJAARN COc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc32)c1 ZINC000021934941 526003214 /nfs/dbraw/zinc/00/32/14/526003214.db2.gz SJNOKOGTOQJRDC-UHFFFAOYSA-N 0 0 448.320 4.998 50 0 IJAARN Cc1ccc(C(=O)CCC(=O)OCc2cc(=O)oc3cc(Br)ccc23)s1 ZINC000021423674 526042913 /nfs/dbraw/zinc/04/29/13/526042913.db2.gz UETAEFTZMTYCJD-UHFFFAOYSA-N 0 0 435.295 4.632 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)C(C)(C)C)cc1 ZINC000036010317 526068949 /nfs/dbraw/zinc/06/89/49/526068949.db2.gz YGQIHVPMDRTWOO-VWLOTQADSA-N 0 0 429.564 4.669 50 0 IJAARN COc1cccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4OC)c(=O)c32)c1 ZINC000035400689 526107674 /nfs/dbraw/zinc/10/76/74/526107674.db2.gz MMSDYSUFPZZDCB-UHFFFAOYSA-N 0 0 439.515 4.773 50 0 IJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000016293607 526114780 /nfs/dbraw/zinc/11/47/80/526114780.db2.gz HZMVWIUHYXDXSI-UHFFFAOYSA-N 0 0 447.966 4.792 50 0 IJAARN CSc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c1 ZINC000016840313 526116530 /nfs/dbraw/zinc/11/65/30/526116530.db2.gz DGPUZKLYXICSRT-UHFFFAOYSA-N 0 0 446.532 4.543 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2cccs2)nn1-c1ccccc1C(F)(F)F ZINC000022131827 526126258 /nfs/dbraw/zinc/12/62/58/526126258.db2.gz VKTYPWLZLOTUCO-INIZCTEOSA-N 0 0 433.455 4.599 50 0 IJAARN Cc1cc(=O)c(C(=O)N2CCCCC2)c2n1-c1ccccc1S[C@@H](c1ccccn1)C2 ZINC000012152600 526127272 /nfs/dbraw/zinc/12/72/72/526127272.db2.gz FWDGFEFYAUOKBS-HSZRJFAPSA-N 0 0 431.561 4.557 50 0 IJAARN CSc1cccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 ZINC000021100281 526128988 /nfs/dbraw/zinc/12/89/88/526128988.db2.gz OGPIXVAVSIDHOR-UHFFFAOYSA-N 0 0 446.532 4.948 50 0 IJAARN Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)nn1-c1ccccc1Cl ZINC000012529402 526131892 /nfs/dbraw/zinc/13/18/92/526131892.db2.gz HZCMJDWSBRKAAY-UHFFFAOYSA-N 0 0 447.926 4.523 50 0 IJAARN COc1cccc(N2C(=O)c3cc4oc(C)cc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526742 526139587 /nfs/dbraw/zinc/13/95/87/526139587.db2.gz DIXLHUNFVNKERE-AREMUKBSSA-N 0 0 449.551 4.809 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)c1 ZINC000015675434 526140797 /nfs/dbraw/zinc/14/07/97/526140797.db2.gz OMOIGLLMIUBBSI-SANMLTNESA-N 0 0 449.551 4.891 50 0 IJAARN COc1cccc(OC)c1C(=O)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001023840 526216123 /nfs/dbraw/zinc/21/61/23/526216123.db2.gz ASJZZFPVSQMVAY-UHFFFAOYSA-N 0 0 436.308 4.703 50 0 IJAARN CSc1nc2ccc(NC(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)cc2s1 ZINC000022617098 526216638 /nfs/dbraw/zinc/21/66/38/526216638.db2.gz RWFIUFHAUKEDRW-QGZVFWFLSA-N 0 0 435.521 4.690 50 0 IJAARN Cc1ccc(C)c(-c2csc(NC(=O)CN(C)CC(=O)Nc3ccccc3Cl)n2)c1 ZINC000012814198 526256421 /nfs/dbraw/zinc/25/64/21/526256421.db2.gz NDKKOKVIBKVPMJ-UHFFFAOYSA-N 0 0 442.972 4.589 50 0 IJAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc12 ZINC000012785643 526291228 /nfs/dbraw/zinc/29/12/28/526291228.db2.gz FBGRHOIEMILNDA-SFHVURJKSA-N 0 0 442.972 4.734 50 0 IJAARN Cc1csc(-c2cccc(S(=O)(=O)Oc3ccc(NC(=O)c4ccco4)cc3)c2)n1 ZINC000225703716 526305083 /nfs/dbraw/zinc/30/50/83/526305083.db2.gz KGYUOQCVSPEOQD-UHFFFAOYSA-N 0 0 440.502 4.732 50 0 IJAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)Sc1ccccc1 ZINC000020458533 526340586 /nfs/dbraw/zinc/34/05/86/526340586.db2.gz IJTYFFBYPMOFBV-UHFFFAOYSA-N 0 0 425.810 4.667 50 0 IJAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCCc1ccccc1 ZINC000035536773 526366431 /nfs/dbraw/zinc/36/64/31/526366431.db2.gz LJUQSQRKRBHSAZ-UHFFFAOYSA-N 0 0 437.971 4.813 50 0 IJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000020397485 526378440 /nfs/dbraw/zinc/37/84/40/526378440.db2.gz CJMMBUSNZYNGGW-NRFANRHFSA-N 0 0 446.576 4.580 50 0 IJAARN Cc1nnc(SCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)n1-c1ccccc1 ZINC000012638288 526379434 /nfs/dbraw/zinc/37/94/34/526379434.db2.gz ZJBFSFHEDYTUPJ-UHFFFAOYSA-N 0 0 448.523 4.916 50 0 IJAARN Fc1cccc(-c2nnc([C@H](c3cccc(Cl)c3)N3CCN(c4ccccn4)CC3)o2)c1 ZINC000020534379 526381119 /nfs/dbraw/zinc/38/11/19/526381119.db2.gz VPDCCQRJJKBHBP-QFIPXVFZSA-N 0 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0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1coc(-c2ccccc2)n1)Cc1ccco1 ZINC000021298367 527271407 /nfs/dbraw/zinc/27/14/07/527271407.db2.gz DFWIQEMGLNIZOZ-UHFFFAOYSA-N 0 0 428.897 4.979 50 0 IJAARN O=C(Cc1ccccc1)Nc1nnc(SCc2cccc(OC(F)(F)F)c2)s1 ZINC000035924432 527283649 /nfs/dbraw/zinc/28/36/49/527283649.db2.gz CZUPHXHMGQUERE-UHFFFAOYSA-N 0 0 425.457 4.910 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000035511811 527286101 /nfs/dbraw/zinc/28/61/01/527286101.db2.gz VEULKPULUVWKGQ-UHFFFAOYSA-N 0 0 430.508 4.912 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195791 527331320 /nfs/dbraw/zinc/33/13/20/527331320.db2.gz OFALWRIIGNKJAH-UHFFFAOYSA-N 0 0 432.851 4.541 50 0 IJAARN O=C(Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21)Nc1cccc(F)c1 ZINC000012414522 527353765 /nfs/dbraw/zinc/35/37/65/527353765.db2.gz DVQAHLOYUZRYEJ-UHFFFAOYSA-N 0 0 425.822 4.634 50 0 IJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccccc4)C3)n2)c1 ZINC000033257542 527395161 /nfs/dbraw/zinc/39/51/61/527395161.db2.gz UQYJIDWBNFEIHF-GOSISDBHSA-N 0 0 439.475 4.901 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 ZINC000022503669 527395204 /nfs/dbraw/zinc/39/52/04/527395204.db2.gz SCTXCAOXVQIEGO-UHFFFAOYSA-N 0 0 425.485 4.611 50 0 IJAARN O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000021792016 527403792 /nfs/dbraw/zinc/40/37/92/527403792.db2.gz LXURVZPXVJKJHT-SFHVURJKSA-N 0 0 430.508 4.523 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883352 527411358 /nfs/dbraw/zinc/41/13/58/527411358.db2.gz SREQKQYYPAGJPT-UHFFFAOYSA-N 0 0 441.384 4.855 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000022749879 527464944 /nfs/dbraw/zinc/46/49/44/527464944.db2.gz NOWMYNIXDUKPNV-HSZRJFAPSA-N 0 0 441.922 4.932 50 0 IJAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012728129 527505405 /nfs/dbraw/zinc/50/54/05/527505405.db2.gz VCQMJQOYPZAODP-JNYXMARXSA-N 0 0 439.581 4.695 50 0 IJAARN O=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162311 527512563 /nfs/dbraw/zinc/51/25/63/527512563.db2.gz PEPYYARKOMOEJY-UHFFFAOYSA-N 0 0 434.559 4.889 50 0 IJAARN O=C(NC1CCCCC1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000035481272 527516467 /nfs/dbraw/zinc/51/64/67/527516467.db2.gz UFUPTFXUXNOSLL-UHFFFAOYSA-N 0 0 437.927 4.527 50 0 IJAARN Cn1cnnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012910099 527526737 /nfs/dbraw/zinc/52/67/37/527526737.db2.gz ARHFWCGHTIOFLE-UHFFFAOYSA-N 0 0 431.005 4.558 50 0 IJAARN Cc1nn(C)c(C)c1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000012194620 527618434 /nfs/dbraw/zinc/61/84/34/527618434.db2.gz GVDLIUOLAXIVDK-SANMLTNESA-N 0 0 448.517 4.903 50 0 IJAARN FC(F)(F)c1cnc(NC[C@@H]2CC(c3ccnc(-c4ccccc4)n3)=NO2)c(Cl)c1 ZINC000020404914 527689506 /nfs/dbraw/zinc/68/95/06/527689506.db2.gz SKLRZRVWUGQVHE-AWEZNQCLSA-N 0 0 433.821 4.816 50 0 IJAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCc1ccccc1Cl ZINC000002976418 535132865 /nfs/dbraw/zinc/13/28/65/535132865.db2.gz OIWWXCNFOBMICO-UHFFFAOYSA-N 0 0 444.000 4.979 50 0 IJAARN CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000009118985 535152329 /nfs/dbraw/zinc/15/23/29/535152329.db2.gz BCRXZXHSTNRALJ-UHFFFAOYSA-N 0 0 442.556 4.764 50 0 IJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000009775681 535714831 /nfs/dbraw/zinc/71/48/31/535714831.db2.gz JHDQSCURVGYBLY-UHFFFAOYSA-N 0 0 439.943 4.790 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000009434628 536549337 /nfs/dbraw/zinc/54/93/37/536549337.db2.gz YGJCNIGVGMAFLG-UHFFFAOYSA-N 0 0 449.938 4.563 50 0 IJAARN C[C@H](c1ccccc1)n1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000000636283 555517008 /nfs/dbraw/zinc/51/70/08/555517008.db2.gz JSYZJIHCFGAAPF-MRXNPFEDSA-N 0 0 428.517 4.609 50 0 IJAARN COc1ccc(OC)c(NC(=O)Oc2cc(C)c(I)cc2C)c1 ZINC000000640829 555518394 /nfs/dbraw/zinc/51/83/94/555518394.db2.gz SPIAELVFZJFKQA-UHFFFAOYSA-N 0 0 427.238 4.536 50 0 IJAARN COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 ZINC000000643359 555519339 /nfs/dbraw/zinc/51/93/39/555519339.db2.gz BJHJYWUAEPAELH-UHFFFAOYSA-N 0 0 431.517 4.602 50 0 IJAARN O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000000646395 555521117 /nfs/dbraw/zinc/52/11/17/555521117.db2.gz NLVUESNERJXZMJ-UHFFFAOYSA-N 0 0 429.303 4.941 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(C)ccc4OC)c3n2)cc1 ZINC000000649535 555522487 /nfs/dbraw/zinc/52/24/87/555522487.db2.gz GJQPEMQMIMXSPP-UHFFFAOYSA-N 0 0 438.434 4.912 50 0 IJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)F)cc1C(F)F)CCCC2 ZINC000000650751 555522679 /nfs/dbraw/zinc/52/26/79/555522679.db2.gz NQVOZQRYSZWRRG-UHFFFAOYSA-N 0 0 447.454 4.903 50 0 IJAARN O=C1NC(=S)NC1=Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000000665527 555528349 /nfs/dbraw/zinc/52/83/49/555528349.db2.gz RQVMPUZFTKGRQI-WOJGMQOQSA-N 0 0 439.334 4.527 50 0 IJAARN COc1cc(Br)c([C@H](C)NC(=O)c2cccc(Br)c2)cc1OC ZINC000000668025 555529616 /nfs/dbraw/zinc/52/96/16/555529616.db2.gz UBRQJRNYSGYVLV-JTQLQIEISA-N 0 0 443.135 4.720 50 0 IJAARN Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)c4ccccc4)cc3C2=O)cc1C ZINC000000670128 555530393 /nfs/dbraw/zinc/53/03/93/555530393.db2.gz XBRGURUAMZJUSD-QGZVFWFLSA-N 0 0 427.456 4.532 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1sc2ccccc2c1Cl ZINC000000670950 555531065 /nfs/dbraw/zinc/53/10/65/555531065.db2.gz PFVKQMDMVNGCCE-UHFFFAOYSA-N 0 0 434.970 4.982 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 ZINC000000674895 555533762 /nfs/dbraw/zinc/53/37/62/555533762.db2.gz JOQMYFRHTQQNFT-PMACEKPBSA-N 0 0 444.457 4.525 50 0 IJAARN O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000674957 555533951 /nfs/dbraw/zinc/53/39/51/555533951.db2.gz IDGZHLQSXYVYNM-CABCVRRESA-N 0 0 443.267 4.542 50 0 IJAARN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000674960 555533962 /nfs/dbraw/zinc/53/39/62/555533962.db2.gz IDGZHLQSXYVYNM-GJZGRUSLSA-N 0 0 443.267 4.542 50 0 IJAARN COc1ccc(NC(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c2F)cc1 ZINC000000675754 555534615 /nfs/dbraw/zinc/53/46/15/555534615.db2.gz QJCWMDPVPFCPRF-UHFFFAOYSA-N 0 0 448.372 4.765 50 0 IJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000676835 555535210 /nfs/dbraw/zinc/53/52/10/555535210.db2.gz GMVUFCRPUOFGDO-LJQANCHMSA-N 0 0 444.597 4.638 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 ZINC000000677351 555535715 /nfs/dbraw/zinc/53/57/15/555535715.db2.gz RXVKSEMDKPDNGF-UHFFFAOYSA-N 0 0 442.515 4.900 50 0 biogenic IJAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cc1 ZINC000000682087 555537716 /nfs/dbraw/zinc/53/77/16/555537716.db2.gz ADEOCDDFDFSOMN-UHFFFAOYSA-N 0 0 430.961 4.824 50 0 IJAARN COc1ccccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000000682570 555538166 /nfs/dbraw/zinc/53/81/66/555538166.db2.gz MVYQMDMWTIPWKN-JTQLQIEISA-N 0 0 430.092 4.593 50 0 IJAARN Cc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000683427 555539034 /nfs/dbraw/zinc/53/90/34/555539034.db2.gz MCTIPMDEVRDKFX-UHFFFAOYSA-N 0 0 442.968 4.521 50 0 IJAARN CSc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000000687384 555540433 /nfs/dbraw/zinc/54/04/33/555540433.db2.gz LZDSCBLKGIVHLW-UHFFFAOYSA-N 0 0 436.356 4.952 50 0 IJAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(Br)cc2)n1C ZINC000000687564 555540753 /nfs/dbraw/zinc/54/07/53/555540753.db2.gz ZMZPCDKUFVFWOC-CYBMUJFWSA-N 0 0 432.343 4.693 50 0 IJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000687614 555541040 /nfs/dbraw/zinc/54/10/40/555541040.db2.gz HHKCFLNRTDWSCL-UHFFFAOYSA-N 0 0 437.352 4.915 50 0 IJAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc21 ZINC000000714678 555548186 /nfs/dbraw/zinc/54/81/86/555548186.db2.gz IETGBRFZRXFDJB-UHFFFAOYSA-N 0 0 431.443 4.749 50 0 IJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000000724667 555551148 /nfs/dbraw/zinc/55/11/48/555551148.db2.gz OJQVUNZYKXJMDB-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN COc1ccc(O[C@H]2C(=O)N(c3cc(C)ccc3C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000000729387 555552595 /nfs/dbraw/zinc/55/25/95/555552595.db2.gz XUJZOPWPXQIPOU-LOSJGSFVSA-N 0 0 433.504 4.865 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1OC ZINC000000793543 555557723 /nfs/dbraw/zinc/55/77/23/555557723.db2.gz KIFDCBRPKGGOJK-UHFFFAOYSA-N 0 0 436.459 4.723 50 0 IJAARN CCOc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc(OCC)c1OCC ZINC000000795406 555557956 /nfs/dbraw/zinc/55/79/56/555557956.db2.gz PKRBBUHTYYJVBB-UHFFFAOYSA-N 0 0 432.542 4.747 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000000796370 555558005 /nfs/dbraw/zinc/55/80/05/555558005.db2.gz FQMDPUPZYAOCEX-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN NC(=O)CSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 ZINC000000797615 555558322 /nfs/dbraw/zinc/55/83/22/555558322.db2.gz ZLRAROCWLTWUHV-UHFFFAOYSA-N 0 0 437.609 4.751 50 0 biogenic IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c(Cl)c1 ZINC000000807664 555560190 /nfs/dbraw/zinc/56/01/90/555560190.db2.gz RMONPTHEDVZESS-UHFFFAOYSA-N 0 0 439.968 4.925 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000839736 555567589 /nfs/dbraw/zinc/56/75/89/555567589.db2.gz IKUFRUFHGONJOU-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000000865964 555573837 /nfs/dbraw/zinc/57/38/37/555573837.db2.gz RWEPLADJJRKTBX-HIFRSBDPSA-N 0 0 439.800 4.983 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000009507394 555577192 /nfs/dbraw/zinc/57/71/92/555577192.db2.gz LVBCDNIDHYPJRE-QGZVFWFLSA-N 0 0 430.533 4.656 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1OC ZINC000000881507 555577517 /nfs/dbraw/zinc/57/75/17/555577517.db2.gz YZFGUKMBYMFCKP-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)c1 ZINC000000884131 555578625 /nfs/dbraw/zinc/57/86/25/555578625.db2.gz KEYJRPUGJSYOTD-ROUUACIJSA-N 0 0 432.402 4.510 50 0 IJAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1 ZINC000000890747 555579782 /nfs/dbraw/zinc/57/97/82/555579782.db2.gz IKOKOCYPDJODBS-UHFFFAOYSA-N 0 0 449.454 4.910 50 0 IJAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2 ZINC000000901354 555581432 /nfs/dbraw/zinc/58/14/32/555581432.db2.gz KWVLNQHWVZKMSN-UHFFFAOYSA-N 0 0 439.440 4.683 50 0 IJAARN COc1cc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000000942460 555587398 /nfs/dbraw/zinc/58/73/98/555587398.db2.gz OSQALBWDDPLCNJ-WLRTZDKTSA-N 0 0 436.895 4.678 50 0 IJAARN CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000000944123 555587602 /nfs/dbraw/zinc/58/76/02/555587602.db2.gz LYFRRLGLWXDFIK-UHFFFAOYSA-N 0 0 448.500 4.683 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(Br)cc3)cc2)cc1 ZINC000000957954 555590544 /nfs/dbraw/zinc/59/05/44/555590544.db2.gz FGYPZQRVLFQWMG-UHFFFAOYSA-N 0 0 440.293 4.994 50 0 IJAARN CC(=O)Nc1cccc(O[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c1 ZINC000000971214 555591472 /nfs/dbraw/zinc/59/14/72/555591472.db2.gz YHGIKVYNGDTYJS-INIZCTEOSA-N 0 0 436.122 4.804 50 0 IJAARN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Br)cc1)c1ccccn1 ZINC000000973306 555591787 /nfs/dbraw/zinc/59/17/87/555591787.db2.gz GJIDDEWASYSWBV-UHFFFAOYSA-N 0 0 435.277 4.798 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 ZINC000000986061 555594811 /nfs/dbraw/zinc/59/48/11/555594811.db2.gz KKOZURZYSBTTFE-ISKFKSNPSA-N 0 0 439.540 4.824 50 0 biogenic IJAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)c1cccc(Cl)c1 ZINC000000986266 555594864 /nfs/dbraw/zinc/59/48/64/555594864.db2.gz VDRWJWNLEATANY-HNNXBMFYSA-N 0 0 447.874 4.564 50 0 IJAARN Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)c(Cl)c2)C3=O)cc1 ZINC000000990564 555596270 /nfs/dbraw/zinc/59/62/70/555596270.db2.gz AKRWOZVAFMYVKX-UHFFFAOYSA-N 0 0 447.874 4.797 50 0 IJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 ZINC000000998691 555599550 /nfs/dbraw/zinc/59/95/50/555599550.db2.gz IARCXXDYKUQNOI-CQSZACIVSA-N 0 0 438.549 4.747 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1cccc(Cl)c1 ZINC000001003811 555600758 /nfs/dbraw/zinc/60/07/58/555600758.db2.gz LRKNFIIYAVSHTI-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)OC ZINC000001011789 555601986 /nfs/dbraw/zinc/60/19/86/555601986.db2.gz MYLVJIVLJRZZCX-ZDLGFXPLSA-N 0 0 447.896 4.531 50 0 IJAARN O=C(NCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Nc1ccc(OC(F)(F)F)cc1 ZINC000001029300 555605403 /nfs/dbraw/zinc/60/54/03/555605403.db2.gz UAOHDTLYWWAFPJ-UHFFFAOYSA-N 0 0 446.307 4.976 50 0 IJAARN CCc1cccc(CC)c1NC(=O)NC(=O)c1c(OC)ccc(Br)c1OC ZINC000001031254 555606034 /nfs/dbraw/zinc/60/60/34/555606034.db2.gz MSWQFQWLHSWNKQ-UHFFFAOYSA-N 0 0 435.318 4.553 50 0 IJAARN O=C(CSc1cc(-c2ccccc2)nc2ncnn21)c1ccc(Br)cc1 ZINC000001035370 555607823 /nfs/dbraw/zinc/60/78/23/555607823.db2.gz ZMAOGYLRNDBRTC-UHFFFAOYSA-N 0 0 425.311 4.529 50 0 IJAARN COc1ccc(Br)c(-c2nc(SCC(=O)c3ccc(Cl)cc3)n[nH]2)c1 ZINC000001042464 555610305 /nfs/dbraw/zinc/61/03/05/555610305.db2.gz OJWWMCNADAECLV-UHFFFAOYSA-N 0 0 438.734 4.871 50 0 IJAARN COc1ccccc1C1CCN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC1 ZINC000001048386 555611811 /nfs/dbraw/zinc/61/18/11/555611811.db2.gz JHODSXFMIVKYOI-UHFFFAOYSA-N 0 0 434.608 4.757 50 0 IJAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2cccc(OC)c2oc1=O ZINC000001055437 555614340 /nfs/dbraw/zinc/61/43/40/555614340.db2.gz UKUPHOZPKKFEMI-UHFFFAOYSA-N 0 0 435.457 4.569 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1F ZINC000001056722 555614507 /nfs/dbraw/zinc/61/45/07/555614507.db2.gz KGWNRSJYZZPXHX-UHFFFAOYSA-N 0 0 439.541 4.958 50 0 IJAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000001055974 555614546 /nfs/dbraw/zinc/61/45/46/555614546.db2.gz KSOUGTFYTNBMFE-UHFFFAOYSA-N 0 0 434.439 4.539 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000001058115 555615107 /nfs/dbraw/zinc/61/51/07/555615107.db2.gz RZTYIENHGDVYEZ-UHFFFAOYSA-N 0 0 448.479 4.533 50 0 IJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cc2ccccc2o1 ZINC000001065666 555618150 /nfs/dbraw/zinc/61/81/50/555618150.db2.gz LSOHJJMBUWNBFH-UHFFFAOYSA-N 0 0 449.894 4.894 50 0 IJAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001066023 555618347 /nfs/dbraw/zinc/61/83/47/555618347.db2.gz RYZFQSBPLXBRQN-UHFFFAOYSA-N 0 0 440.750 4.578 50 0 IJAARN O=C1N(Cc2ccccc2Br)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000001066089 555618381 /nfs/dbraw/zinc/61/83/81/555618381.db2.gz KERUXLVAUPYOGR-HSZRJFAPSA-N 0 0 433.305 4.713 50 0 IJAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000001065806 555618452 /nfs/dbraw/zinc/61/84/52/555618452.db2.gz MFLIXNJREHDEMR-UHFFFAOYSA-N 0 0 447.541 4.861 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nn12 ZINC000001067006 555618971 /nfs/dbraw/zinc/61/89/71/555618971.db2.gz GNHUKIOKGUHFTA-UHFFFAOYSA-N 0 0 442.342 4.738 50 0 IJAARN O=C(COc1ccc(Br)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000001067680 555619315 /nfs/dbraw/zinc/61/93/15/555619315.db2.gz OUFORFRVSHOONH-UHFFFAOYSA-N 0 0 439.309 4.648 50 0 IJAARN O=C(C[C@H]1C(=O)N(c2ccccc2F)C(=S)N1C1CCCCC1)Nc1ccc(F)cc1 ZINC000001071148 555621209 /nfs/dbraw/zinc/62/12/09/555621209.db2.gz XNLDTLWQKVGLSO-FQEVSTJZSA-N 0 0 443.519 4.628 50 0 IJAARN Cc1sc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cc(C)cc23)c(C(N)=O)c1C ZINC000001073862 555622940 /nfs/dbraw/zinc/62/29/40/555622940.db2.gz LQZAGTJXVKPVFZ-UHFFFAOYSA-N 0 0 430.533 4.943 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000001088262 555626878 /nfs/dbraw/zinc/62/68/78/555626878.db2.gz OXYSCILTEJNMJD-UHFFFAOYSA-N 0 0 434.492 4.899 50 0 IJAARN CCOC(=O)c1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1 ZINC000001101475 555628996 /nfs/dbraw/zinc/62/89/96/555628996.db2.gz HXTOFUGBRUCIFV-QGZVFWFLSA-N 0 0 426.485 4.725 50 0 IJAARN CCOc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000001109296 555630775 /nfs/dbraw/zinc/63/07/75/555630775.db2.gz JZCILJSLHOSSSD-UHFFFAOYSA-N 0 0 444.531 4.627 50 0 IJAARN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1 ZINC000001109797 555630781 /nfs/dbraw/zinc/63/07/81/555630781.db2.gz XKCHGWIWSSJSFU-UHFFFAOYSA-N 0 0 439.562 4.753 50 0 IJAARN CCOc1cc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc(OCC)c1OCC ZINC000001113335 555633027 /nfs/dbraw/zinc/63/30/27/555633027.db2.gz PNHVUTCWNHMITD-UHFFFAOYSA-N 0 0 441.553 4.772 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)c1 ZINC000001118244 555635856 /nfs/dbraw/zinc/63/58/56/555635856.db2.gz WUUGFNSREDJGCY-UHFFFAOYSA-N 0 0 444.560 4.906 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)COc1ccc([C@H](C)CC)cc1 ZINC000001121125 555637988 /nfs/dbraw/zinc/63/79/88/555637988.db2.gz OSDMOKOWFYNVIE-CYBMUJFWSA-N 0 0 433.526 4.551 50 0 IJAARN Cc1ccc(-c2csc3nnc(SCC(=O)c4ccc5c(c4)OCCO5)n23)cc1C ZINC000001123040 555638833 /nfs/dbraw/zinc/63/88/33/555638833.db2.gz XIMOUVYPWORPIX-UHFFFAOYSA-N 0 0 437.546 4.821 50 0 IJAARN COc1ccc(Cc2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)s2)cc1 ZINC000001133406 555646036 /nfs/dbraw/zinc/64/60/36/555646036.db2.gz MPJREFIOUQCZQM-NSHDSACASA-N 0 0 438.336 4.850 50 0 IJAARN CCc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000001144924 555652609 /nfs/dbraw/zinc/65/26/09/555652609.db2.gz VSAFLLZWRJJKCW-UHFFFAOYSA-N 0 0 445.386 4.846 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001145688 555653202 /nfs/dbraw/zinc/65/32/02/555653202.db2.gz WJSKUXRJZCRRHE-UHFFFAOYSA-N 0 0 444.560 4.742 50 0 IJAARN O[C@H](CNc1ccc(Br)cc1)COc1ccc(OCc2ccccc2)cc1 ZINC000001148278 555654906 /nfs/dbraw/zinc/65/49/06/555654906.db2.gz XDUCXLQATDHMTN-HXUWFJFHSA-N 0 0 428.326 4.880 50 0 IJAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000001149702 555655650 /nfs/dbraw/zinc/65/56/50/555655650.db2.gz IUQQLKNHLSYXEF-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1cccc(CN(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001153309 555657429 /nfs/dbraw/zinc/65/74/29/555657429.db2.gz LOYXEDTURGJPAQ-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000001155258 555658627 /nfs/dbraw/zinc/65/86/27/555658627.db2.gz UMVPUIGYWJYKSU-MRXNPFEDSA-N 0 0 438.336 4.831 50 0 IJAARN COc1cc(OC)c(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1Cl ZINC000001159929 555661099 /nfs/dbraw/zinc/66/10/99/555661099.db2.gz ZTSLIFQEDJCFBQ-UHFFFAOYSA-N 0 0 428.710 4.754 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)NC1CCCCC1 ZINC000001159662 555661204 /nfs/dbraw/zinc/66/12/04/555661204.db2.gz ODWQXORGVJQQIZ-UHFFFAOYSA-N 0 0 427.957 4.580 50 0 IJAARN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000001161434 555662054 /nfs/dbraw/zinc/66/20/54/555662054.db2.gz CHZXLPAMVMUHCW-PXNMLYILSA-N 0 0 438.288 4.627 50 0 IJAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 ZINC000001165489 555663801 /nfs/dbraw/zinc/66/38/01/555663801.db2.gz FTAHHCGNWDQZTK-UHFFFAOYSA-N 0 0 434.304 4.966 50 0 IJAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1Br ZINC000001166076 555664174 /nfs/dbraw/zinc/66/41/74/555664174.db2.gz VXRHHXWGMRJOPT-UHFFFAOYSA-N 0 0 429.270 4.945 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000001169980 555665938 /nfs/dbraw/zinc/66/59/38/555665938.db2.gz OPTXKEIACNJYFT-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN O[C@H](COc1ccc(Br)cc1)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000001172171 555667407 /nfs/dbraw/zinc/66/74/07/555667407.db2.gz SJOUZAPTFMAFBJ-IBGZPJMESA-N 0 0 437.337 4.830 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1Br ZINC000001197549 555677297 /nfs/dbraw/zinc/67/72/97/555677297.db2.gz WGERTQJZWXFIIO-UHFFFAOYSA-N 0 0 425.282 4.962 50 0 IJAARN COc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1OC ZINC000001200111 555678230 /nfs/dbraw/zinc/67/82/30/555678230.db2.gz BNPLMKAINQHEKG-UHFFFAOYSA-N 0 0 442.471 4.578 50 0 IJAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000001200100 555678239 /nfs/dbraw/zinc/67/82/39/555678239.db2.gz BJCSQLGXBMSTPE-NRFANRHFSA-N 0 0 435.501 4.732 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1C ZINC000001202706 555679384 /nfs/dbraw/zinc/67/93/84/555679384.db2.gz NXYRCKCDQGXUDN-VWLOTQADSA-N 0 0 442.515 4.979 50 0 IJAARN CCOc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000001205100 555680230 /nfs/dbraw/zinc/68/02/30/555680230.db2.gz QYGQDKHJVXCTKF-UHFFFAOYSA-N 0 0 438.549 4.536 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001206616 555680580 /nfs/dbraw/zinc/68/05/80/555680580.db2.gz MQCGLMJVTYYNQY-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1 ZINC000001216592 555684195 /nfs/dbraw/zinc/68/41/95/555684195.db2.gz LVNGUJKMPBEREM-UHFFFAOYSA-N 0 0 432.446 4.828 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2c(C)onc2-c2ccccc2)c(C(=O)OCC)c1C ZINC000001217275 555684520 /nfs/dbraw/zinc/68/45/20/555684520.db2.gz FKSPQHHRRMCQJJ-UHFFFAOYSA-N 0 0 442.493 4.626 50 0 IJAARN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000001220277 555685734 /nfs/dbraw/zinc/68/57/34/555685734.db2.gz HIURNAGLIRFKQN-UHFFFAOYSA-N 0 0 442.968 4.746 50 0 IJAARN COc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000001220384 555685742 /nfs/dbraw/zinc/68/57/42/555685742.db2.gz GUCZUORJPWFSMI-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000001246673 555687534 /nfs/dbraw/zinc/68/75/34/555687534.db2.gz TVIOINLZFPPPFG-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000001442337 555697909 /nfs/dbraw/zinc/69/79/09/555697909.db2.gz MQLOMUANGAHIID-QFIPXVFZSA-N 0 0 431.467 4.500 50 0 IJAARN CN(C(=O)CSc1nc2sc3c(c2c(N)n1)CC(C)(C)SC3)c1ccccc1 ZINC000001787473 555715760 /nfs/dbraw/zinc/71/57/60/555715760.db2.gz MFBXHUPREHGERA-UHFFFAOYSA-N 0 0 430.624 4.597 50 0 IJAARN O=C(NCCCn1ccnc1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002082891 555738635 /nfs/dbraw/zinc/73/86/35/555738635.db2.gz LXBVIZZRBOXMCG-UHFFFAOYSA-N 0 0 435.325 4.681 50 0 IJAARN CCCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1OC ZINC000002172478 555752074 /nfs/dbraw/zinc/75/20/74/555752074.db2.gz VUIOFWOOWFYISB-UHFFFAOYSA-N 0 0 446.547 4.959 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 ZINC000002209940 555757991 /nfs/dbraw/zinc/75/79/91/555757991.db2.gz WHZXGHDPMHUGMA-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN C[C@H](NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002311113 555767658 /nfs/dbraw/zinc/76/76/58/555767658.db2.gz CRVWEXHSBABUMU-HNNXBMFYSA-N 0 0 425.467 4.786 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000002330309 555769207 /nfs/dbraw/zinc/76/92/07/555769207.db2.gz UKNWKDKLNICJHK-UHFFFAOYSA-N 0 0 444.988 4.769 50 0 IJAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002360452 555772105 /nfs/dbraw/zinc/77/21/05/555772105.db2.gz ICANMQWYZXZTIL-QGZVFWFLSA-N 0 0 444.564 4.969 50 0 IJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1 ZINC000002377264 555773933 /nfs/dbraw/zinc/77/39/33/555773933.db2.gz NTWSTYBGXHEPFM-SFHVURJKSA-N 0 0 437.908 4.919 50 0 IJAARN O=c1/c(=C/c2ccc(OCc3ccccc3)cc2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000002383983 555774641 /nfs/dbraw/zinc/77/46/41/555774641.db2.gz YCDFLDUFSADXTD-BKUYFWCQSA-N 0 0 445.931 4.598 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002410004 555776743 /nfs/dbraw/zinc/77/67/43/555776743.db2.gz AYHGNLBFEWVGTC-HSZRJFAPSA-N 0 0 429.447 4.729 50 0 IJAARN COc1ccc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000002431609 555778299 /nfs/dbraw/zinc/77/82/99/555778299.db2.gz LOPZFOQSDMRHNU-UHFFFAOYSA-N 0 0 432.545 4.830 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(OC)c1 ZINC000002443815 555780042 /nfs/dbraw/zinc/78/00/42/555780042.db2.gz WLQLEGPSZXHSSN-UHFFFAOYSA-N 0 0 440.569 4.528 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000002445980 555780281 /nfs/dbraw/zinc/78/02/81/555780281.db2.gz HEGXOIFPAUYSNY-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000002464255 555783188 /nfs/dbraw/zinc/78/31/88/555783188.db2.gz UNTCRCIVOGPFDR-UHFFFAOYSA-N 0 0 441.347 4.989 50 0 IJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)NCc1ccncc1 ZINC000034679849 555790772 /nfs/dbraw/zinc/79/07/72/555790772.db2.gz OAJJTTIFXXLKCY-UHFFFAOYSA-N 0 0 427.548 4.664 50 0 IJAARN Cc1sc2nc(SCC(=O)N3CCc4ccccc43)n(-c3ccccc3)c(=O)c2c1C ZINC000002644530 555790805 /nfs/dbraw/zinc/79/08/05/555790805.db2.gz PZDRSXIJPOTXNA-UHFFFAOYSA-N 0 0 447.585 4.745 50 0 IJAARN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2 ZINC000034667467 555791259 /nfs/dbraw/zinc/79/12/59/555791259.db2.gz NUQTWZICLHFEPO-BCHFMIIMSA-N 0 0 432.539 4.877 50 0 IJAARN CC(C)c1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)nc2)cc1 ZINC000034667798 555792069 /nfs/dbraw/zinc/79/20/69/555792069.db2.gz CRYPDGSNUPKRJI-UHFFFAOYSA-N 0 0 449.580 4.873 50 0 IJAARN Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCc2cccnc2)cc1 ZINC000034675973 555794323 /nfs/dbraw/zinc/79/43/23/555794323.db2.gz NXCPCMDHMZUQLC-UHFFFAOYSA-N 0 0 441.575 4.972 50 0 IJAARN CC(C)C(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000002682759 555798460 /nfs/dbraw/zinc/79/84/60/555798460.db2.gz MGJIKKLPQUBKLN-NSHDSACASA-N 0 0 437.607 4.748 50 0 IJAARN Cc1ccccc1-n1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C2CCCCC2)c1=O ZINC000034692810 555805285 /nfs/dbraw/zinc/80/52/85/555805285.db2.gz RNNARJMMIAOXFD-UHFFFAOYSA-N 0 0 448.954 4.864 50 0 IJAARN CC(C)(C)c1ccc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2Cl)cc1 ZINC000034693583 555808053 /nfs/dbraw/zinc/80/80/53/555808053.db2.gz TYBHCXINLWACKA-UHFFFAOYSA-N 0 0 448.954 4.683 50 0 IJAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680034 555813133 /nfs/dbraw/zinc/81/31/33/555813133.db2.gz IEYHYJNBQXSMEZ-UHFFFAOYSA-N 0 0 448.538 4.996 50 0 IJAARN O=C(NCCc1ccccc1Cl)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769263 555815014 /nfs/dbraw/zinc/81/50/14/555815014.db2.gz UBPWLZFEFILVRQ-UHFFFAOYSA-N 0 0 426.854 4.960 50 0 IJAARN O=C(NCc1cccnc1)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714352 555821283 /nfs/dbraw/zinc/82/12/83/555821283.db2.gz TXYXEDGLHMPEHF-UHFFFAOYSA-N 0 0 437.471 4.992 50 0 IJAARN Cc1nc(C)c(Cc2ccc(Cl)cc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000034700914 555821303 /nfs/dbraw/zinc/82/13/03/555821303.db2.gz DSSOBNNIIFWMHH-UHFFFAOYSA-N 0 0 448.998 4.619 50 0 IJAARN O=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000034710423 555824079 /nfs/dbraw/zinc/82/40/79/555824079.db2.gz LRJYBNNEYNVQAP-OALUTQOASA-N 0 0 437.927 4.887 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2F)n1 ZINC000034713403 555826650 /nfs/dbraw/zinc/82/66/50/555826650.db2.gz WAJBKUYEYPHHDG-HNNXBMFYSA-N 0 0 448.466 4.715 50 0 IJAARN CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000002812486 555827564 /nfs/dbraw/zinc/82/75/64/555827564.db2.gz GALFKVPZENDDSW-UHFFFAOYSA-N 0 0 435.295 4.581 50 0 IJAARN CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1Br ZINC000002814864 555828505 /nfs/dbraw/zinc/82/85/05/555828505.db2.gz UQMIQIDYFXMDDY-AQTBWJFISA-N 0 0 435.749 4.790 50 0 IJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000034713891 555829107 /nfs/dbraw/zinc/82/91/07/555829107.db2.gz VJVUCWGHTXTQRE-KBMIEXCESA-N 0 0 446.547 4.669 50 0 IJAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Br)c2)c1 ZINC000002832963 555831979 /nfs/dbraw/zinc/83/19/79/555831979.db2.gz SDGPYCKVTROKTD-UHFFFAOYSA-N 0 0 434.359 4.705 50 0 IJAARN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1I ZINC000002830918 555832037 /nfs/dbraw/zinc/83/20/37/555832037.db2.gz MBZURCVMLINLLE-LBPRGKRZSA-N 0 0 438.334 4.932 50 0 IJAARN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000002835599 555832962 /nfs/dbraw/zinc/83/29/62/555832962.db2.gz DPBBZUZJUAEMKC-UHFFFAOYSA-N 0 0 428.533 4.870 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000002836493 555833184 /nfs/dbraw/zinc/83/31/84/555833184.db2.gz RRESQWWVOYANES-UHFFFAOYSA-N 0 0 439.712 4.733 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000002836678 555833525 /nfs/dbraw/zinc/83/35/25/555833525.db2.gz YHTPYFMFZIDEOR-UHFFFAOYSA-N 0 0 440.487 4.668 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CCOC)cc1 ZINC000002838597 555834392 /nfs/dbraw/zinc/83/43/92/555834392.db2.gz BJVOQJWYRLLFOX-UHFFFAOYSA-N 0 0 430.961 4.538 50 0 IJAARN COCCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000002838462 555834419 /nfs/dbraw/zinc/83/44/19/555834419.db2.gz LTBSOFNLKOBBAT-UHFFFAOYSA-N 0 0 437.352 4.629 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1OC ZINC000002840741 555835239 /nfs/dbraw/zinc/83/52/39/555835239.db2.gz XBLHUTQPXVYALE-SFHVURJKSA-N 0 0 432.520 4.707 50 0 IJAARN Cc1cc(OCC(=O)N2CCc3ccccc3C2)c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002841657 555835837 /nfs/dbraw/zinc/83/58/37/555835837.db2.gz HTHVWGZSENOAKF-UHFFFAOYSA-N 0 0 425.484 4.732 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000002841917 555836094 /nfs/dbraw/zinc/83/60/94/555836094.db2.gz VRLJIZVEWQYBAY-HNNXBMFYSA-N 0 0 428.583 4.891 50 0 IJAARN Cc1nnc(SCc2nc(-c3ccc(Br)cc3)no2)n1-c1ccccc1 ZINC000002849497 555838702 /nfs/dbraw/zinc/83/87/02/555838702.db2.gz RTCVACNEBSQJEA-UHFFFAOYSA-N 0 0 428.315 4.681 50 0 IJAARN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000002855549 555841460 /nfs/dbraw/zinc/84/14/60/555841460.db2.gz ZYZSRHKXDVCAMI-UHFFFAOYSA-N 0 0 438.549 4.684 50 0 IJAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2oc1=O ZINC000002856149 555841709 /nfs/dbraw/zinc/84/17/09/555841709.db2.gz MCGCYKFSMKBMIH-UHFFFAOYSA-N 0 0 449.286 4.694 50 0 IJAARN C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002858067 555842762 /nfs/dbraw/zinc/84/27/62/555842762.db2.gz AZWJMPIDMDKGRY-HNNXBMFYSA-N 0 0 446.475 4.550 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2NC(=O)c2ccco2)cc1C ZINC000002860784 555844164 /nfs/dbraw/zinc/84/41/64/555844164.db2.gz PMRTWNQDQNNTGP-UHFFFAOYSA-N 0 0 440.503 4.533 50 0 IJAARN CC[C@H](C(=O)c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)C(=O)OC ZINC000002864508 555846459 /nfs/dbraw/zinc/84/64/59/555846459.db2.gz LTCYHVWCGMDAQR-ROUUACIJSA-N 0 0 437.319 4.948 50 0 IJAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)cc1OC ZINC000002867677 555848076 /nfs/dbraw/zinc/84/80/76/555848076.db2.gz YBSAPEMNCJKLQZ-UHFFFAOYSA-N 0 0 428.444 4.900 50 0 IJAARN Cc1ccccc1-c1cc(C(=O)NCCCn2cc(Br)cn2)c2ccccc2n1 ZINC000002867876 555848453 /nfs/dbraw/zinc/84/84/53/555848453.db2.gz ONCKOWPISIBQKG-UHFFFAOYSA-N 0 0 449.352 4.989 50 0 IJAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000002875897 555852274 /nfs/dbraw/zinc/85/22/74/555852274.db2.gz RXHNEULARDERFU-UHFFFAOYSA-N 0 0 434.561 4.916 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002883118 555856568 /nfs/dbraw/zinc/85/65/68/555856568.db2.gz POGHATQUVSGIBY-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1cccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002884461 555857153 /nfs/dbraw/zinc/85/71/53/555857153.db2.gz YTWPLZAKDDWQJE-UHFFFAOYSA-N 0 0 447.000 4.850 50 0 IJAARN CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000002906347 555861662 /nfs/dbraw/zinc/86/16/62/555861662.db2.gz RVUCZBIDVVFSJO-OAHLLOKOSA-N 0 0 431.330 4.620 50 0 IJAARN CCCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002913158 555862239 /nfs/dbraw/zinc/86/22/39/555862239.db2.gz WAQNIZNRVQPDHE-FQEVSTJZSA-N 0 0 440.525 4.570 50 0 IJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000002915237 555862286 /nfs/dbraw/zinc/86/22/86/555862286.db2.gz OGIYHRCVPCNDAL-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN Cc1cccc([C@@H]2c3cc(O[C@@H](C)C(=O)NC4CC4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000034717083 555866989 /nfs/dbraw/zinc/86/69/89/555866989.db2.gz UGOLEMFPFBEWEN-AFMDSPMNSA-N 0 0 446.591 4.705 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2Cl)cc1 ZINC000002959920 555867650 /nfs/dbraw/zinc/86/76/50/555867650.db2.gz AQJRQDRGKUDMCO-SFHVURJKSA-N 0 0 442.968 4.721 50 0 IJAARN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000002992200 555875444 /nfs/dbraw/zinc/87/54/44/555875444.db2.gz FNTJKZFTPLISSZ-UHFFFAOYSA-N 0 0 432.973 4.542 50 0 IJAARN O=C(CCCC(=O)OCC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002995011 555876070 /nfs/dbraw/zinc/87/60/70/555876070.db2.gz GEDUYVAXNGXIFT-UHFFFAOYSA-N 0 0 427.806 4.894 50 0 IJAARN CCCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000002998252 555876977 /nfs/dbraw/zinc/87/69/77/555876977.db2.gz LADXRDNQXRBJNQ-UHFFFAOYSA-N 0 0 427.551 4.734 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1CC ZINC000003000034 555877648 /nfs/dbraw/zinc/87/76/48/555877648.db2.gz UWSCVWQEPQAQJU-FQEVSTJZSA-N 0 0 437.492 4.664 50 0 IJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc4c(c3)OCO4)C2=O)cc1)c1ccc(F)cc1 ZINC000034734508 555879357 /nfs/dbraw/zinc/87/93/57/555879357.db2.gz MCBNFKZWUHUOMG-UHFFFAOYSA-N 0 0 447.466 4.639 50 0 IJAARN CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cccs2)C1 ZINC000034739987 555883045 /nfs/dbraw/zinc/88/30/45/555883045.db2.gz YPHGBBIORDRNMP-UPVQGACJSA-N 0 0 432.589 4.929 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)OCCSCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000003083030 555884810 /nfs/dbraw/zinc/88/48/10/555884810.db2.gz PSCGRONSKONVIU-UHFFFAOYSA-N 0 0 434.366 4.749 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003118618 555888735 /nfs/dbraw/zinc/88/87/35/555888735.db2.gz XUDSJFZMEUOAAV-OAHLLOKOSA-N 0 0 441.163 4.548 50 0 IJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010550803 555890917 /nfs/dbraw/zinc/89/09/17/555890917.db2.gz ICTMEOCGNMLIMR-UHFFFAOYSA-N 0 0 434.489 4.547 50 0 IJAARN Fc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccco2)CC3)c(F)c1 ZINC000034755584 555900379 /nfs/dbraw/zinc/90/03/79/555900379.db2.gz YWNPZXVCAQTNSG-UHFFFAOYSA-N 0 0 426.467 4.689 50 0 IJAARN CC1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034757973 555902975 /nfs/dbraw/zinc/90/29/75/555902975.db2.gz QIELTDPPTXQJRK-UHFFFAOYSA-N 0 0 446.526 4.843 50 0 IJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)NCc3ccccc3)CC1)=N2 ZINC000034813938 555910651 /nfs/dbraw/zinc/91/06/51/555910651.db2.gz GNESKGMTIURZBX-UHFFFAOYSA-N 0 0 426.520 4.706 50 0 IJAARN Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCC3CCCCC3)ccc12 ZINC000034836015 555914310 /nfs/dbraw/zinc/91/43/10/555914310.db2.gz RJLNONHTADMXAT-UHFFFAOYSA-N 0 0 436.527 4.573 50 0 IJAARN CCCCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2cc(C)cc(C)c2)n1 ZINC000034905474 555919825 /nfs/dbraw/zinc/91/98/25/555919825.db2.gz JSQAWAFZCXKDLD-VQTJNVASSA-N 0 0 443.613 4.686 50 0 IJAARN CCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000034902624 555929602 /nfs/dbraw/zinc/92/96/02/555929602.db2.gz DLLRVWAJXYKWRG-UHFFFAOYSA-N 0 0 447.457 4.926 50 0 IJAARN COc1cccc(-c2cc(C(=O)N(CCC(=O)Nc3ccc(F)cc3)CC(C)C)no2)c1 ZINC000034922616 555932894 /nfs/dbraw/zinc/93/28/94/555932894.db2.gz IHWSVNBVWKLVTL-UHFFFAOYSA-N 0 0 439.487 4.616 50 0 IJAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2cccc(C(F)(F)F)c2)CC3)c1 ZINC000034927302 555933236 /nfs/dbraw/zinc/93/32/36/555933236.db2.gz UUGJVROBPUAFFQ-UHFFFAOYSA-N 0 0 434.483 4.726 50 0 IJAARN CCc1ccc(NC(=O)CSc2nc3nc(C)c(Cc4cccc(C)c4)c(C)n3n2)cc1 ZINC000003631696 555942065 /nfs/dbraw/zinc/94/20/65/555942065.db2.gz OYUZVTIVYCUONL-UHFFFAOYSA-N 0 0 445.592 4.934 50 0 IJAARN O=C(NC(=S)Nc1cccc2ccccc21)c1ccccc1I ZINC000004089241 555961121 /nfs/dbraw/zinc/96/11/21/555961121.db2.gz ABXSIZNYIVLRPZ-UHFFFAOYSA-N 0 0 432.286 4.571 50 0 IJAARN CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc1OC ZINC000004113718 555963777 /nfs/dbraw/zinc/96/37/77/555963777.db2.gz YIJPKUFCQCDLMX-JOCHJYFZSA-N 0 0 430.545 4.768 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccc(Br)cc2F)CC1 ZINC000004612991 556004275 /nfs/dbraw/zinc/00/42/75/556004275.db2.gz VVXGLZQIZHJUFS-UHFFFAOYSA-N 0 0 440.744 4.981 50 0 IJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000006296157 556084163 /nfs/dbraw/zinc/08/41/63/556084163.db2.gz YCNQMDNAXWFROW-LJQANCHMSA-N 0 0 438.549 4.819 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1Cl ZINC000010579727 556094524 /nfs/dbraw/zinc/09/45/24/556094524.db2.gz JQJSJOHVSOTQKV-UHFFFAOYSA-N 0 0 442.994 4.684 50 0 IJAARN CCOC(=O)c1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)sc2c1CCC2 ZINC000006599777 556096415 /nfs/dbraw/zinc/09/64/15/556096415.db2.gz FUQFBSWAHNKNEH-MRXNPFEDSA-N 0 0 441.808 4.684 50 0 IJAARN O=C(/C=C/c1cccc(Br)c1)Nc1cccc(I)c1 ZINC000002546444 556104765 /nfs/dbraw/zinc/10/47/65/556104765.db2.gz WAFLTSFCIIEOIC-BQYQJAHWSA-N 0 0 428.067 4.706 50 0 IJAARN CCCCOC(=O)c1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 ZINC000002672386 556118272 /nfs/dbraw/zinc/11/82/72/556118272.db2.gz NDQBTKKRDMWRQM-JOCHJYFZSA-N 0 0 436.533 4.756 50 0 IJAARN Cc1cc(C)c(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)c(C)c1 ZINC000002697088 556121455 /nfs/dbraw/zinc/12/14/55/556121455.db2.gz ZAWMRUFUSXUVSJ-FQEVSTJZSA-N 0 0 436.577 4.547 50 0 IJAARN Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2F)C3=O)c1C ZINC000002716506 556131034 /nfs/dbraw/zinc/13/10/34/556131034.db2.gz NBWPXZQKMPWVGY-UHFFFAOYSA-N 0 0 432.495 4.659 50 0 IJAARN CCCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000002751733 556137206 /nfs/dbraw/zinc/13/72/06/556137206.db2.gz QCCGVVDZKJCISV-CQSZACIVSA-N 0 0 431.554 4.638 50 0 IJAARN CC[C@H]1CCc2c(sc3ncn4nc(-c5c(Cl)c(C(F)(F)F)nn5C)nc4c23)C1 ZINC000002789529 556139184 /nfs/dbraw/zinc/13/91/84/556139184.db2.gz NKDISOGYGSKRBU-QMMMGPOBSA-N 0 0 440.882 4.927 50 0 IJAARN C[C@H]1CCc2c(sc3ncn4nc(Cn5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 ZINC000002789636 556139374 /nfs/dbraw/zinc/13/93/74/556139374.db2.gz JSQDIVUOXJJSNC-JTQLQIEISA-N 0 0 432.475 4.605 50 0 IJAARN Cc1nn(C)cc1CNC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21 ZINC000002768942 556139878 /nfs/dbraw/zinc/13/98/78/556139878.db2.gz FBEKYLPJTBCJFU-UHFFFAOYSA-N 0 0 449.352 4.945 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2C)c1 ZINC000002799807 556142077 /nfs/dbraw/zinc/14/20/77/556142077.db2.gz RBRROSVDUIABCU-UHFFFAOYSA-N 0 0 433.430 4.837 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)ccc12 ZINC000002794005 556144934 /nfs/dbraw/zinc/14/49/34/556144934.db2.gz BJDFAPQCTJOKOV-UHFFFAOYSA-N 0 0 444.274 4.894 50 0 IJAARN Cc1cc(C)n(CCCNC(=O)c2cccc(COc3ccc(Br)cc3)c2)n1 ZINC000002796597 556145816 /nfs/dbraw/zinc/14/58/16/556145816.db2.gz MCOGAGJWOUCBON-UHFFFAOYSA-N 0 0 442.357 4.662 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)C1CCCCC1 ZINC000002975118 556153094 /nfs/dbraw/zinc/15/30/94/556153094.db2.gz PYAVQMIGVGICKT-QFIPXVFZSA-N 0 0 427.570 4.516 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000002984737 556154221 /nfs/dbraw/zinc/15/42/21/556154221.db2.gz MFOOUPKJASXBAL-NRFANRHFSA-N 0 0 429.944 4.818 50 0 IJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000002983748 556154239 /nfs/dbraw/zinc/15/42/39/556154239.db2.gz ACEZBSCVQIUZKJ-CPNJWEJPSA-N 0 0 433.847 4.912 50 0 IJAARN Cc1cc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)c2ccccc2n1 ZINC000008383448 556159165 /nfs/dbraw/zinc/15/91/65/556159165.db2.gz OKIHSTSVWKMAHR-UHFFFAOYSA-N 0 0 425.440 4.802 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000008396392 556163603 /nfs/dbraw/zinc/16/36/03/556163603.db2.gz SPOOPXWWEXPVDQ-QGZVFWFLSA-N 0 0 446.569 4.511 50 0 IJAARN CCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCCCC)cc3)CC2)cc1 ZINC000008440392 556176457 /nfs/dbraw/zinc/17/64/57/556176457.db2.gz UCBXEZNNOVBBIB-UHFFFAOYSA-N 0 0 438.568 4.643 50 0 IJAARN C[C@@H](O)c1cccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000008444556 556179056 /nfs/dbraw/zinc/17/90/56/556179056.db2.gz NGFZCYZIFJLMFQ-RGYTYGDFSA-N 0 0 436.459 4.911 50 0 IJAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCC(C)C)cc1 ZINC000008591591 556188999 /nfs/dbraw/zinc/18/89/99/556188999.db2.gz DLLLQJKWFGHUHU-QFIPXVFZSA-N 0 0 437.540 4.688 50 0 IJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cc1F)C1CCN3CC1 ZINC000008614613 556192275 /nfs/dbraw/zinc/19/22/75/556192275.db2.gz ZIRBQISZVBJGEN-UHFFFAOYSA-N 0 0 447.333 4.730 50 0 IJAARN Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O ZINC000008710292 556201486 /nfs/dbraw/zinc/20/14/86/556201486.db2.gz RUDYBEAVSGOTBV-NRFANRHFSA-N 0 0 444.579 4.576 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@H]2c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008716666 556202478 /nfs/dbraw/zinc/20/24/78/556202478.db2.gz VFDJUAJHQYBECF-ZSEKCTLFSA-N 0 0 448.375 4.958 50 0 IJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCOC(C)C)occ3-c1ccccc1 ZINC000008791608 556216054 /nfs/dbraw/zinc/21/60/54/556216054.db2.gz DUPUWQQEVHXJMJ-UHFFFAOYSA-N 0 0 433.504 4.988 50 0 biogenic IJAARN O=C(Nc1cccnc1Cl)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000009133915 556248830 /nfs/dbraw/zinc/24/88/30/556248830.db2.gz KEMYNGLTFVGWIK-MFKMUULPSA-N 0 0 427.839 4.906 50 0 IJAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCc4ccccc4)s3)CC2=O)cc1Cl ZINC000009199683 556257005 /nfs/dbraw/zinc/25/70/05/556257005.db2.gz XMNQHQTUFLHWML-MRXNPFEDSA-N 0 0 440.956 4.592 50 0 IJAARN CCCC[C@H](C(=O)OCC(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000009202423 556257657 /nfs/dbraw/zinc/25/76/57/556257657.db2.gz WGRSPVHLKPWJFB-AEVYTLLQSA-N 0 0 445.559 4.637 50 0 IJAARN COc1ccc([C@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NC2CCCCCC2)cc1 ZINC000009224583 556258302 /nfs/dbraw/zinc/25/83/02/556258302.db2.gz WWGXLVGKNCWRJB-VWLOTQADSA-N 0 0 445.563 4.571 50 0 IJAARN COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NC2CCCCCC2)cc1 ZINC000009224582 556258382 /nfs/dbraw/zinc/25/83/82/556258382.db2.gz WWGXLVGKNCWRJB-RUZDIDTESA-N 0 0 445.563 4.571 50 0 IJAARN O=C1CS[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1cccc(F)c1 ZINC000009225599 556259193 /nfs/dbraw/zinc/25/91/93/556259193.db2.gz BJCYSYDIIGDEBZ-QHCPKHFHSA-N 0 0 438.911 4.959 50 0 IJAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Br)CC2=O)cc1 ZINC000009232078 556261319 /nfs/dbraw/zinc/26/13/19/556261319.db2.gz CNLCMNBUEGDZFC-OAHLLOKOSA-N 0 0 431.330 4.538 50 0 IJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccn2)N1c1nc2ccc(F)cc2s1 ZINC000009234855 556263077 /nfs/dbraw/zinc/26/30/77/556263077.db2.gz AFVQANWGHAAOOB-IBGZPJMESA-N 0 0 429.432 4.687 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S2 ZINC000009239297 556265816 /nfs/dbraw/zinc/26/58/16/556265816.db2.gz FURFTSOHTLCKDX-QZTJIDSGSA-N 0 0 447.486 4.566 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009239649 556266345 /nfs/dbraw/zinc/26/63/45/556266345.db2.gz FIAKFFQYMASSEC-UXHICEINSA-N 0 0 441.988 4.899 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009239613 556266418 /nfs/dbraw/zinc/26/64/18/556266418.db2.gz OBTIDEVKRCBFPP-FGZHOGPDSA-N 0 0 435.597 4.808 50 0 IJAARN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1OC ZINC000009291141 556273949 /nfs/dbraw/zinc/27/39/49/556273949.db2.gz KNJBFPHPFTXTHA-UHFFFAOYSA-N 0 0 425.510 4.697 50 0 IJAARN Cc1ccc2c(Cl)c(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)sc2c1 ZINC000009291683 556274296 /nfs/dbraw/zinc/27/42/96/556274296.db2.gz KPIJDFSSSFWGNN-INIZCTEOSA-N 0 0 433.982 4.693 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000009295000 556274559 /nfs/dbraw/zinc/27/45/59/556274559.db2.gz HCXMVDPJIXBZPQ-WOJBJXKFSA-N 0 0 441.988 4.899 50 0 IJAARN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2OC)c1 ZINC000009301916 556275929 /nfs/dbraw/zinc/27/59/29/556275929.db2.gz NHACLWWPNDHEME-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013687565 556277393 /nfs/dbraw/zinc/27/73/93/556277393.db2.gz PHCLFWGDDUYWTH-UHFFFAOYSA-N 0 0 430.932 4.655 50 0 IJAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000013690412 556279668 /nfs/dbraw/zinc/27/96/68/556279668.db2.gz OWICZQQVWCEZCO-KRWDZBQOSA-N 0 0 430.335 4.643 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1 ZINC000013691084 556280407 /nfs/dbraw/zinc/28/04/07/556280407.db2.gz FZHRWCGAKGVIPW-UHFFFAOYSA-N 0 0 426.494 4.565 50 0 IJAARN Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000009328202 556282378 /nfs/dbraw/zinc/28/23/78/556282378.db2.gz HGHRLSQMYMFTBR-UHFFFAOYSA-N 0 0 427.957 4.901 50 0 IJAARN O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000009371649 556286378 /nfs/dbraw/zinc/28/63/78/556286378.db2.gz WTDVJCBHMXNHPX-NRFANRHFSA-N 0 0 439.870 4.959 50 0 IJAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 ZINC000009380274 556287121 /nfs/dbraw/zinc/28/71/21/556287121.db2.gz VJDDYLRGUUCFEM-RUZDIDTESA-N 0 0 441.487 4.852 50 0 IJAARN Cc1csc2nc(CN(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(=O)n12 ZINC000032547956 556287525 /nfs/dbraw/zinc/28/75/25/556287525.db2.gz AOZXABVQGLGDDY-UHFFFAOYSA-N 0 0 441.560 4.549 50 0 IJAARN COc1ccccc1C1=NN(C(=O)c2ccccc2F)[C@@H](c2ccc3nccnc3c2)C1 ZINC000013723559 556291571 /nfs/dbraw/zinc/29/15/71/556291571.db2.gz IXODZQHPOIMTQW-HSZRJFAPSA-N 0 0 426.451 4.769 50 0 IJAARN COc1ccccc1C1=NN(C(=O)c2ccccc2F)[C@H](c2ccc3nccnc3c2)C1 ZINC000013723562 556291613 /nfs/dbraw/zinc/29/16/13/556291613.db2.gz IXODZQHPOIMTQW-QHCPKHFHSA-N 0 0 426.451 4.769 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000009459773 556293126 /nfs/dbraw/zinc/29/31/26/556293126.db2.gz KCMAMNUMXUSIMJ-UHFFFAOYSA-N 0 0 443.891 4.505 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(F)cc1F ZINC000009479290 556293738 /nfs/dbraw/zinc/29/37/38/556293738.db2.gz BUOFMBBSSLGUCP-UHFFFAOYSA-N 0 0 426.448 4.595 50 0 IJAARN Cc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1C ZINC000009526538 556297023 /nfs/dbraw/zinc/29/70/23/556297023.db2.gz XOGCXXFQVBEEFS-UHFFFAOYSA-N 0 0 442.610 4.687 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c[nH]nc4c3)nnc2-c2ccccc2)cc1 ZINC000009540506 556297375 /nfs/dbraw/zinc/29/73/75/556297375.db2.gz IOKSTYLLPCMNHW-UHFFFAOYSA-N 0 0 440.532 4.850 50 0 IJAARN COc1cc([C@@H]2Cc3[nH]c(C(=O)OCc4ccccc4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559832 556298324 /nfs/dbraw/zinc/29/83/24/556298324.db2.gz BHXWZYRMBFHWMU-QGZVFWFLSA-N 0 0 449.503 4.619 50 0 IJAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n(C[C@H]2CCCO2)c1C ZINC000032739683 556300059 /nfs/dbraw/zinc/30/00/59/556300059.db2.gz GKPYINRDYDNTKC-HTAPYJJXSA-N 0 0 427.614 4.527 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1OC ZINC000013759432 556301864 /nfs/dbraw/zinc/30/18/64/556301864.db2.gz JQUAADMGJYJERB-UHFFFAOYSA-N 0 0 434.536 4.829 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2Cl)CC1 ZINC000009668719 556305152 /nfs/dbraw/zinc/30/51/52/556305152.db2.gz MITXCEURRTWGFX-PKNBQFBNSA-N 0 0 449.938 4.856 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4cccs4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009679599 556306325 /nfs/dbraw/zinc/30/63/25/556306325.db2.gz CQHBLFAUPOWKIU-JOCHJYFZSA-N 0 0 445.500 4.770 50 0 IJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000013811567 556312606 /nfs/dbraw/zinc/31/26/06/556312606.db2.gz JSWPRIAHPPABAV-UKILVPOCSA-N 0 0 438.487 4.508 50 0 IJAARN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCc3ccccc3Cl)n2n1 ZINC000009831101 556312660 /nfs/dbraw/zinc/31/26/60/556312660.db2.gz IEAUMQLCHRZOAD-UHFFFAOYSA-N 0 0 431.931 4.668 50 0 IJAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4sc5ccccc5c4Cl)cc3)nn12 ZINC000009934900 556318340 /nfs/dbraw/zinc/31/83/40/556318340.db2.gz GYSYOXRTRDIENS-UHFFFAOYSA-N 0 0 439.953 4.959 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000013844433 556318542 /nfs/dbraw/zinc/31/85/42/556318542.db2.gz IIGNUEFKRVNXGI-UPCLLVRISA-N 0 0 425.488 4.749 50 0 IJAARN CCc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000009970210 556319126 /nfs/dbraw/zinc/31/91/26/556319126.db2.gz YRSBJDPCLIGALC-UHFFFAOYSA-N 0 0 447.495 4.555 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c(OC)c1 ZINC000013847205 556319154 /nfs/dbraw/zinc/31/91/54/556319154.db2.gz BLERJSTVQKFMHB-UHFFFAOYSA-N 0 0 439.415 4.503 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000009972722 556319756 /nfs/dbraw/zinc/31/97/56/556319756.db2.gz CHBSFJVFMYDDOV-LADGPHEKSA-N 0 0 445.588 4.952 50 0 IJAARN Cc1cccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1C ZINC000004325375 556320452 /nfs/dbraw/zinc/32/04/52/556320452.db2.gz NMPPDOPRJKCARY-UHFFFAOYSA-N 0 0 448.589 4.655 50 0 IJAARN COCCCn1c(=O)c2c3c(sc2nc1S[C@H](C)c1nc(C(C)(C)C)no1)CCC3 ZINC000032754522 556323698 /nfs/dbraw/zinc/32/36/98/556323698.db2.gz YFXOBTGMNVDCOE-GFCCVEGCSA-N 0 0 448.614 4.517 50 0 IJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(CC)cc1 ZINC000010059682 556324009 /nfs/dbraw/zinc/32/40/09/556324009.db2.gz BIHCYPVNEKHLTF-NRFANRHFSA-N 0 0 434.565 4.985 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000032754921 556324446 /nfs/dbraw/zinc/32/44/46/556324446.db2.gz FUOBMRHKOBIVIR-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000010060506 556324711 /nfs/dbraw/zinc/32/47/11/556324711.db2.gz TYWCAMGFWDTPSU-UHFFFAOYSA-N 0 0 433.537 4.918 50 0 IJAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000013880114 556325373 /nfs/dbraw/zinc/32/53/73/556325373.db2.gz KWBWVJICHZWJQK-UHFFFAOYSA-N 0 0 446.960 4.578 50 0 IJAARN COc1ccccc1NC(=O)Cn1c2cc(C)ccc2cc(CNc2ccccc2)c1=O ZINC000010272828 556328713 /nfs/dbraw/zinc/32/87/13/556328713.db2.gz ATEARGBZIUFCGF-UHFFFAOYSA-N 0 0 427.504 4.569 50 0 IJAARN Cc1cccc(/N=c2\oc3c(Br)cc(Br)cc3cc2C(N)=O)c1 ZINC000013898163 556330289 /nfs/dbraw/zinc/33/02/89/556330289.db2.gz WHOKGIKNHNQDAQ-FXBPSFAMSA-N 0 0 436.103 4.598 50 0 IJAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000032769785 556334219 /nfs/dbraw/zinc/33/42/19/556334219.db2.gz VHOLBOATNIGDHW-UHFFFAOYSA-N 0 0 441.453 4.677 50 0 IJAARN Cn1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2ccccc21 ZINC000010559168 556336930 /nfs/dbraw/zinc/33/69/30/556336930.db2.gz WXCKUIGLFCOBJF-UHFFFAOYSA-N 0 0 425.517 4.796 50 0 IJAARN Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]1 ZINC000011661467 556343038 /nfs/dbraw/zinc/34/30/38/556343038.db2.gz BLECTHIQAMEWSG-HXUWFJFHSA-N 0 0 430.504 4.519 50 0 IJAARN Cc1nc2ccccc2n1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000011664862 556345670 /nfs/dbraw/zinc/34/56/70/556345670.db2.gz DQVRIZLEEKWATJ-HHHXNRCGSA-N 0 0 435.531 4.785 50 0 IJAARN O=C(CCc1ccco1)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000011711006 556347681 /nfs/dbraw/zinc/34/76/81/556347681.db2.gz BGLYIBPNJGWICX-UHFFFAOYSA-N 0 0 444.959 4.608 50 0 IJAARN COC(=O)c1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000011711198 556348052 /nfs/dbraw/zinc/34/80/52/556348052.db2.gz CPOPYMOUIBYTLY-XMMPIXPASA-N 0 0 428.463 4.882 50 0 IJAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000011715467 556348152 /nfs/dbraw/zinc/34/81/52/556348152.db2.gz XHUBUMMMEBRNQX-SFHVURJKSA-N 0 0 442.478 4.842 50 0 IJAARN CCCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1[C@@H](CC)N(C)C ZINC000004494776 556351101 /nfs/dbraw/zinc/35/11/01/556351101.db2.gz KUPWRPDFPWNFGI-LJQANCHMSA-N 0 0 431.650 4.947 50 0 IJAARN COc1ccccc1[C@H]1CCCN1C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011783219 556351844 /nfs/dbraw/zinc/35/18/44/556351844.db2.gz ZHBJUIYOZJSMGG-PXDATVDWSA-N 0 0 440.971 4.684 50 0 IJAARN COc1cc(Cl)ccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1F ZINC000014022909 556357002 /nfs/dbraw/zinc/35/70/02/556357002.db2.gz FUAKMAUEOYAQAV-HXUWFJFHSA-N 0 0 429.879 4.629 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c2oc1-c1ccccc1 ZINC000014047902 556358541 /nfs/dbraw/zinc/35/85/41/556358541.db2.gz IGMBNEBWJVZQMU-JOCHJYFZSA-N 0 0 442.515 4.928 50 0 IJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000014071351 556361127 /nfs/dbraw/zinc/36/11/27/556361127.db2.gz ZDTRJZFUFXVWEX-UHFFFAOYSA-N 0 0 441.247 4.776 50 0 IJAARN O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)N1CCC(c2ccccc2)=N1 ZINC000014083690 556363565 /nfs/dbraw/zinc/36/35/65/556363565.db2.gz BDTGBLZBHURYNS-DEOSSOPVSA-N 0 0 449.601 4.701 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000014083795 556363607 /nfs/dbraw/zinc/36/36/07/556363607.db2.gz RMSQSFPZKQSRGU-FQEVSTJZSA-N 0 0 437.586 4.809 50 0 IJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4ccc(OC)c(OC)c4OC)C3)ccc2c1 ZINC000011840883 556365144 /nfs/dbraw/zinc/36/51/44/556365144.db2.gz PGRPDNSNTAKYPH-NRFANRHFSA-N 0 0 449.547 4.969 50 0 IJAARN O=C(c1cccc(-n2cccn2)c1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011841954 556365503 /nfs/dbraw/zinc/36/55/03/556365503.db2.gz NQCVSIQXIJPTSU-SFHVURJKSA-N 0 0 433.462 4.560 50 0 IJAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000011842562 556365798 /nfs/dbraw/zinc/36/57/98/556365798.db2.gz WQTVUWDMWJXVPJ-IBGZPJMESA-N 0 0 433.614 4.762 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(-c3csc(C)n3)cc2)nnc1-c1ccco1 ZINC000014121191 556371880 /nfs/dbraw/zinc/37/18/80/556371880.db2.gz SXHPBRJFKUCQCW-UHFFFAOYSA-N 0 0 425.539 4.721 50 0 IJAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000011880784 556372792 /nfs/dbraw/zinc/37/27/92/556372792.db2.gz JZVCXTWIMQUGOF-HXUWFJFHSA-N 0 0 428.536 4.532 50 0 IJAARN COc1ccc(C(=O)c2ccccc2)c(OCC(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000014128658 556373804 /nfs/dbraw/zinc/37/38/04/556373804.db2.gz JWAVHJWBJLCOGH-UHFFFAOYSA-N 0 0 441.886 4.756 50 0 IJAARN O=C(CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000011910336 556374984 /nfs/dbraw/zinc/37/49/84/556374984.db2.gz KEGDKHMCCJZPNC-UFHPHHKVSA-N 0 0 444.550 4.967 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011914962 556376126 /nfs/dbraw/zinc/37/61/26/556376126.db2.gz BYIKGMQFCGOVGO-HXUWFJFHSA-N 0 0 443.952 4.738 50 0 IJAARN Cc1cc(Cl)ccc1OCC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000014158521 556377898 /nfs/dbraw/zinc/37/78/98/556377898.db2.gz IWKXUEMFIVADLP-UHFFFAOYSA-N 0 0 442.865 4.922 50 0 IJAARN COc1ccc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC ZINC000011996939 556384220 /nfs/dbraw/zinc/38/42/20/556384220.db2.gz FLRIYLNSNFNHLW-INIZCTEOSA-N 0 0 437.458 4.826 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014184324 556384521 /nfs/dbraw/zinc/38/45/21/556384521.db2.gz RCVAKBSTCXMLAP-INIZCTEOSA-N 0 0 436.562 4.845 50 0 IJAARN COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000014186305 556385966 /nfs/dbraw/zinc/38/59/66/556385966.db2.gz JTPJBLNLLBZTJZ-UHFFFAOYSA-N 0 0 426.774 4.726 50 0 IJAARN CCOc1ccc(CN(C)Cn2nc(-c3cccs3)n(C3CC3)c2=S)cc1OC ZINC000014187192 556386361 /nfs/dbraw/zinc/38/63/61/556386361.db2.gz USEMVPSVFZRODQ-UHFFFAOYSA-N 0 0 430.599 4.974 50 0 IJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000012027591 556388057 /nfs/dbraw/zinc/38/80/57/556388057.db2.gz PSVUAQAJHWOWMU-HSZRJFAPSA-N 0 0 438.531 4.671 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3SCC(N)=O)c3ccccc3n2)cc1 ZINC000014196572 556388519 /nfs/dbraw/zinc/38/85/19/556388519.db2.gz CTHHWRHPTXYJHM-UHFFFAOYSA-N 0 0 443.528 4.740 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2)cc1 ZINC000014198396 556389727 /nfs/dbraw/zinc/38/97/27/556389727.db2.gz IMXJXWVRHBXZFR-UHFFFAOYSA-N 0 0 442.475 4.569 50 0 IJAARN CC1(C)C[C@H](C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)CCO1 ZINC000012039927 556390717 /nfs/dbraw/zinc/39/07/17/556390717.db2.gz SCFCFCACASFSRQ-IAGOWNOFSA-N 0 0 433.470 4.997 50 0 IJAARN COc1ccc(-c2nnc(SCc3nnsc3Cl)n2CCc2ccccc2)cc1 ZINC000014200557 556391123 /nfs/dbraw/zinc/39/11/23/556391123.db2.gz IABKLHLEVSMRPT-UHFFFAOYSA-N 0 0 443.985 4.994 50 0 IJAARN O=C(CCc1cccnc1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000032809440 556394148 /nfs/dbraw/zinc/39/41/48/556394148.db2.gz CIINOJWMBBNISR-UHFFFAOYSA-N 0 0 425.985 4.741 50 0 IJAARN CCCCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(CC)CC)CC2=O)cc1 ZINC000012062078 556395181 /nfs/dbraw/zinc/39/51/81/556395181.db2.gz ONFYTOQPHTUDGC-OAQYLSRUSA-N 0 0 446.595 4.768 50 0 IJAARN CCCN(CCC)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000012062058 556395209 /nfs/dbraw/zinc/39/52/09/556395209.db2.gz YACCIGOXNCQUKT-HXUWFJFHSA-N 0 0 432.568 4.514 50 0 IJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000014242410 556402870 /nfs/dbraw/zinc/40/28/70/556402870.db2.gz QXIOYCIIIABQHJ-JOCHJYFZSA-N 0 0 448.906 4.505 50 0 IJAARN COc1cc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc(OC)c1 ZINC000032578476 556405054 /nfs/dbraw/zinc/40/50/54/556405054.db2.gz GXKVXBZYQAHDNR-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Oc3ccc(C(C)C)cc3)n2)cc1 ZINC000032623391 556410451 /nfs/dbraw/zinc/41/04/51/556410451.db2.gz BNBLXTXUAXZKIO-UHFFFAOYSA-N 0 0 444.940 4.755 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccccc4F)cc3)n2)cc1 ZINC000032624048 556411198 /nfs/dbraw/zinc/41/11/98/556411198.db2.gz LSDLQRCCGGRBBM-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN COc1ccc2c(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)cc(=O)oc2c1 ZINC000012993883 556429727 /nfs/dbraw/zinc/42/97/27/556429727.db2.gz ICOVAOPFZTYVBT-UHFFFAOYSA-N 0 0 444.512 4.905 50 0 IJAARN C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000032847956 556430646 /nfs/dbraw/zinc/43/06/46/556430646.db2.gz NIOCKVARKBNYEO-INIZCTEOSA-N 0 0 428.458 4.975 50 0 IJAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000027818169 556433365 /nfs/dbraw/zinc/43/33/65/556433365.db2.gz FVHFWUKCRYCAQB-UHFFFAOYSA-N 0 0 447.891 4.881 50 0 IJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cs2)cc1 ZINC000013002408 556433820 /nfs/dbraw/zinc/43/38/20/556433820.db2.gz VCUVLMGHPVAKNJ-UHFFFAOYSA-N 0 0 425.579 4.593 50 0 IJAARN CC(C)CCn1c2ccccc2nc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000032858233 556434440 /nfs/dbraw/zinc/43/44/40/556434440.db2.gz GAXHSEZBISMPMM-UHFFFAOYSA-N 0 0 436.581 4.705 50 0 IJAARN CSc1ncc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC000014708806 556435147 /nfs/dbraw/zinc/43/51/47/556435147.db2.gz AFRBGWBBOOJQTF-UHFFFAOYSA-N 0 0 425.407 4.927 50 0 IJAARN CC(C)CCNC(=O)C(=Cc1ccccc1OCc1ccccc1)C(=O)NCCC(C)C ZINC000013011920 556435988 /nfs/dbraw/zinc/43/59/88/556435988.db2.gz TYUXUHGVSSCMLD-UHFFFAOYSA-N 0 0 436.596 4.974 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N4c5ccccc5C[C@@H]4C)c(=O)c23)cc1C ZINC000013014066 556436660 /nfs/dbraw/zinc/43/66/60/556436660.db2.gz QPPYHMWYOMUBKW-KRWDZBQOSA-N 0 0 429.545 4.720 50 0 IJAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)NC(=O)CS2 ZINC000013015639 556437778 /nfs/dbraw/zinc/43/77/78/556437778.db2.gz UKCLYXBHEDDWEB-QGZVFWFLSA-N 0 0 433.558 4.836 50 0 IJAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(F)cc2)cc1OC ZINC000014738041 556437809 /nfs/dbraw/zinc/43/78/09/556437809.db2.gz CLYNAVLPRXWFRM-LJQANCHMSA-N 0 0 440.496 4.661 50 0 IJAARN CCOc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC ZINC000027994875 556441107 /nfs/dbraw/zinc/44/11/07/556441107.db2.gz IWUMXRVUOUWREO-UHFFFAOYSA-N 0 0 433.917 4.592 50 0 IJAARN CC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000013028590 556441627 /nfs/dbraw/zinc/44/16/27/556441627.db2.gz BTLZEQCYMQAFDT-QFBILLFUSA-N 0 0 439.562 4.757 50 0 IJAARN CCOc1ccc(-c2nc(CSc3nc(C)cc(C)c3C(N)=O)cs2)cc1OC ZINC000013029800 556441852 /nfs/dbraw/zinc/44/18/52/556441852.db2.gz WQRKKGLLKSFWNW-UHFFFAOYSA-N 0 0 429.567 4.620 50 0 IJAARN CCOc1ccc(CN(CC)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1OC ZINC000014813588 556447909 /nfs/dbraw/zinc/44/79/09/556447909.db2.gz LIHCOASKSYCMDF-RUZDIDTESA-N 0 0 438.593 4.883 50 0 IJAARN C[C@@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032868657 556448821 /nfs/dbraw/zinc/44/88/21/556448821.db2.gz UUQIVZLZLOZDQG-CQSZACIVSA-N 0 0 433.489 4.780 50 0 IJAARN Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3cccc(C)n3)n2)cc1 ZINC000028291931 556450290 /nfs/dbraw/zinc/45/02/90/556450290.db2.gz CDUIEMCAHJCRJT-UHFFFAOYSA-N 0 0 429.343 4.796 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4ccc5ccncc5c4)c23)C1 ZINC000013071140 556453502 /nfs/dbraw/zinc/45/35/02/556453502.db2.gz IEMDYBLZNGXMQC-MRXNPFEDSA-N 0 0 446.576 4.989 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3c4ccccc4sc3=S)CC2)cc1 ZINC000013072828 556454029 /nfs/dbraw/zinc/45/40/29/556454029.db2.gz KVOSTJWTSCRILX-UHFFFAOYSA-N 0 0 447.651 4.520 50 0 IJAARN CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000014882079 556454072 /nfs/dbraw/zinc/45/40/72/556454072.db2.gz QPXIRNRTZPTPCK-AREMUKBSSA-N 0 0 445.607 4.894 50 0 IJAARN CCCCn1nc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc2c1=O ZINC000028685779 556459078 /nfs/dbraw/zinc/45/90/78/556459078.db2.gz WLTUJBKFWISKEQ-UHFFFAOYSA-N 0 0 446.532 4.507 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000014931967 556459120 /nfs/dbraw/zinc/45/91/20/556459120.db2.gz KIDYMSOCJZXFSX-UHFFFAOYSA-N 0 0 441.409 4.864 50 0 IJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000013098780 556459473 /nfs/dbraw/zinc/45/94/73/556459473.db2.gz VHSXQDDVLOLPIU-RBUKOAKNSA-N 0 0 446.532 4.997 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000013100974 556460433 /nfs/dbraw/zinc/46/04/33/556460433.db2.gz XEYQVDQXAQOIJW-UHFFFAOYSA-N 0 0 444.535 4.814 50 0 IJAARN COc1ccc(-c2nc(CN(Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)c(OC)c1C ZINC000014954735 556461898 /nfs/dbraw/zinc/46/18/98/556461898.db2.gz YXLSDFZURCMKIP-UHFFFAOYSA-N 0 0 426.561 4.737 50 0 IJAARN O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000013112163 556464512 /nfs/dbraw/zinc/46/45/12/556464512.db2.gz FBPQNUGGUJCWKQ-FQEVSTJZSA-N 0 0 434.565 4.904 50 0 IJAARN O=C(c1ccccn1)N1CC[C@H]2[C@H](CCCN2C(=O)[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000014963858 556465117 /nfs/dbraw/zinc/46/51/17/556465117.db2.gz JXUOAYGKKXIYNC-VJTSUQJLSA-N 0 0 431.580 4.509 50 0 IJAARN CCOc1cc2c(cc1NC(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1)O[C@@H](C)C2 ZINC000029129468 556467824 /nfs/dbraw/zinc/46/78/24/556467824.db2.gz KFWPAEGFCODWRT-HNNXBMFYSA-N 0 0 438.553 4.667 50 0 IJAARN CCCN(CC(=O)Nc1cccc2ncccc21)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000029121912 556467834 /nfs/dbraw/zinc/46/78/34/556467834.db2.gz ONXQKHRKHZPNMC-UHFFFAOYSA-N 0 0 445.350 4.831 50 0 IJAARN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc2ccccc2c1 ZINC000013116272 556468933 /nfs/dbraw/zinc/46/89/33/556468933.db2.gz FUEOJCOVFKZIBM-UHFFFAOYSA-N 0 0 439.441 4.510 50 0 IJAARN Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013117033 556469204 /nfs/dbraw/zinc/46/92/04/556469204.db2.gz NQSJLQMPZUCBKN-SFHVURJKSA-N 0 0 429.549 4.607 50 0 IJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N4CCC[C@H]4c4cccnc4)c(=O)c23)cc1 ZINC000029300766 556471902 /nfs/dbraw/zinc/47/19/02/556471902.db2.gz FTLDNZCQALHFKU-NRFANRHFSA-N 0 0 444.560 4.582 50 0 IJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013121100 556473813 /nfs/dbraw/zinc/47/38/13/556473813.db2.gz GBZSEJBKOKBOEF-UHFFFAOYSA-N 0 0 443.528 4.864 50 0 IJAARN C[C@H](c1nnc(Sc2nccc(C(F)(F)F)n2)n1-c1ccccc1)N1CCCCC1 ZINC000029438813 556475443 /nfs/dbraw/zinc/47/54/43/556475443.db2.gz WJSUOKWSJKKUQW-CQSZACIVSA-N 0 0 434.491 4.774 50 0 IJAARN O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029477710 556476121 /nfs/dbraw/zinc/47/61/21/556476121.db2.gz COWLSYOSDAFARZ-XCZPVHLTSA-N 0 0 428.576 4.532 50 0 IJAARN COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000013128238 556477863 /nfs/dbraw/zinc/47/78/63/556477863.db2.gz YZGDZQZSYJQMOA-KRWDZBQOSA-N 0 0 445.548 4.516 50 0 IJAARN Cc1c(C(=O)N[C@H](C)Cc2ccsc2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000015005729 556481455 /nfs/dbraw/zinc/48/14/55/556481455.db2.gz VVFFKHZURDFZQQ-MRXNPFEDSA-N 0 0 443.576 4.549 50 0 IJAARN COc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2Br)cc1F ZINC000029760986 556481885 /nfs/dbraw/zinc/48/18/85/556481885.db2.gz KDWHAKLILITOCV-UHFFFAOYSA-N 0 0 432.289 4.787 50 0 IJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000029771009 556482125 /nfs/dbraw/zinc/48/21/25/556482125.db2.gz DFQRSCRFMFYWNR-UHFFFAOYSA-N 0 0 429.480 4.651 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)[nH]c(=O)c2c1C ZINC000029884905 556485573 /nfs/dbraw/zinc/48/55/73/556485573.db2.gz NWXZEAOFKIRIOY-PEYYIBSZSA-N 0 0 445.610 4.598 50 0 IJAARN Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)CCNC(=O)c2cccs2)c1 ZINC000072290501 556486330 /nfs/dbraw/zinc/48/63/30/556486330.db2.gz YGMWPCOGBFSVGT-UHFFFAOYSA-N 0 0 434.521 4.569 50 0 IJAARN Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc2)n1 ZINC000013141754 556487002 /nfs/dbraw/zinc/48/70/02/556487002.db2.gz JKONMNGHCDVLDB-KRWDZBQOSA-N 0 0 446.532 4.797 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)c(C)n1Cc1ccco1 ZINC000013141993 556487221 /nfs/dbraw/zinc/48/72/21/556487221.db2.gz LUGLMKHVUWUPJB-UHFFFAOYSA-N 0 0 428.488 4.823 50 0 IJAARN COc1ccc(C(=O)N[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000013147749 556488989 /nfs/dbraw/zinc/48/89/89/556488989.db2.gz BNJKIBOQBVDOAD-SANMLTNESA-N 0 0 444.575 4.788 50 0 IJAARN CN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1Cl ZINC000013147741 556489009 /nfs/dbraw/zinc/48/90/09/556489009.db2.gz BSBMQPWHRBRQIJ-UHFFFAOYSA-N 0 0 442.968 4.628 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030662 556489067 /nfs/dbraw/zinc/48/90/67/556489067.db2.gz KFTPQTQYLASHSZ-HNNXBMFYSA-N 0 0 440.897 4.602 50 0 IJAARN c1ccc(-c2cc(Sc3nnnn3-c3ccccc3)nc3cc4c(cc32)OCCO4)cc1 ZINC000013147964 556489408 /nfs/dbraw/zinc/48/94/08/556489408.db2.gz OULHZKZCSCSMCI-UHFFFAOYSA-N 0 0 439.500 4.800 50 0 IJAARN c1ccc(-c2[nH]c3ccccc3c2[C@@H](CNc2ccc3nnnn3n2)c2ccccc2)cc1 ZINC000032871777 556489805 /nfs/dbraw/zinc/48/98/05/556489805.db2.gz HLVBLRPHPSBTAD-NRFANRHFSA-N 0 0 431.503 4.912 50 0 IJAARN Cc1cccc(-c2nnc(SCc3nc(=O)c4c5c(sc4[nH]3)C[C@@H](C)CC5)n2C)c1 ZINC000013148442 556490083 /nfs/dbraw/zinc/49/00/83/556490083.db2.gz FJTNRIBFPZJAMC-ZDUSSCGKSA-N 0 0 437.594 4.506 50 0 IJAARN O=C(Cc1cn2ccsc2n1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015062389 556490542 /nfs/dbraw/zinc/49/05/42/556490542.db2.gz CQDYHNNFFJIMOV-QHCPKHFHSA-N 0 0 430.508 4.733 50 0 IJAARN Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)NCc3ccccc3)CC2)cc1 ZINC000013149092 556490660 /nfs/dbraw/zinc/49/06/60/556490660.db2.gz BIHFBGQMGKUMTE-UHFFFAOYSA-N 0 0 437.559 4.747 50 0 IJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCN(c2ncccn2)CC1 ZINC000015063511 556491379 /nfs/dbraw/zinc/49/13/79/556491379.db2.gz LPGBZBSAFYAVJB-UHFFFAOYSA-N 0 0 427.508 4.555 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2nc3ccccc3s2)c(C)c1 ZINC000030396200 556493938 /nfs/dbraw/zinc/49/39/38/556493938.db2.gz LRVFJTBHNAGEBT-UHFFFAOYSA-N 0 0 427.595 4.552 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 ZINC000067261730 556493965 /nfs/dbraw/zinc/49/39/65/556493965.db2.gz ZKMMHFAQNFKMTE-UHFFFAOYSA-N 0 0 447.926 4.700 50 0 IJAARN O=C([C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000030471388 556494678 /nfs/dbraw/zinc/49/46/78/556494678.db2.gz GNOMQHIHIOICHL-SFHVURJKSA-N 0 0 426.900 4.607 50 0 IJAARN COc1ccc(Cc2noc(CN3CCc4c5ccccc5[nH]c4[C@H]3C(C)C)n2)cc1OC ZINC000015077629 556499524 /nfs/dbraw/zinc/49/95/24/556499524.db2.gz BHLZXLNWXQGEAU-AREMUKBSSA-N 0 0 446.551 4.914 50 0 IJAARN Cc1nc(-c2ccccc2)c(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)s1 ZINC000030667501 556501437 /nfs/dbraw/zinc/50/14/37/556501437.db2.gz UXMDPZKGKZLMAG-UHFFFAOYSA-N 0 0 428.517 4.696 50 0 IJAARN O=C(/C=C/c1ccccc1)OC[C@H]1[C@@H](COC(=O)/C=C/c2ccccc2)C1(Cl)Cl ZINC000013301697 556502073 /nfs/dbraw/zinc/50/20/73/556502073.db2.gz OPEOMUGBUBKGGU-RSEWVQGVSA-N 0 0 431.315 4.920 50 0 IJAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000013370214 556503457 /nfs/dbraw/zinc/50/34/57/556503457.db2.gz MQRJMTHPZAVVSB-RCCKNPSSSA-N 0 0 435.321 4.536 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=S)NCCc1ccccc1)CO[C@H](C(C)C)C2 ZINC000013483372 556508248 /nfs/dbraw/zinc/50/82/48/556508248.db2.gz IDSHCXZAECMYSX-KRWDZBQOSA-N 0 0 432.611 4.551 50 0 aggregator IJAARN COc1ccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1OC ZINC000013548553 556514661 /nfs/dbraw/zinc/51/46/61/556514661.db2.gz ISKCAVXKCFWNGU-UHFFFAOYSA-N 0 0 445.471 4.803 50 0 biogenic IJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc(Br)ccc2oc1=O ZINC000013552636 556515448 /nfs/dbraw/zinc/51/54/48/556515448.db2.gz DCNHIDDZNKXHGH-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000015309854 556518378 /nfs/dbraw/zinc/51/83/78/556518378.db2.gz QWDXIUVLZVIFPH-UHFFFAOYSA-N 0 0 429.369 4.514 50 0 IJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(Br)o1 ZINC000015316384 556518951 /nfs/dbraw/zinc/51/89/51/556518951.db2.gz WOGXIBFQRXGZEV-UHFFFAOYSA-N 0 0 434.117 4.840 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000015316720 556518973 /nfs/dbraw/zinc/51/89/73/556518973.db2.gz OIYKWDVLZOZVSS-UHFFFAOYSA-N 0 0 427.353 4.729 50 0 IJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000011074689 556519292 /nfs/dbraw/zinc/51/92/92/556519292.db2.gz OOLPPKVPYFSIPR-FQEVSTJZSA-N 0 0 447.966 4.989 50 0 IJAARN CCOc1cccc(C(=O)Nc2nnc(COc3ccc(Br)cc3)s2)c1 ZINC000013571330 556522265 /nfs/dbraw/zinc/52/22/65/556522265.db2.gz WSYWEWVRKAYLFU-UHFFFAOYSA-N 0 0 434.315 4.531 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc12 ZINC000013573940 556524369 /nfs/dbraw/zinc/52/43/69/556524369.db2.gz SBPANKZPBJJZBM-JOCHJYFZSA-N 0 0 447.531 4.846 50 0 IJAARN Cc1ccc(N2CC(=O)N(c3ccc(Br)cc3)[C@@H](c3ccccc3)C2=O)cc1 ZINC000015413057 556525683 /nfs/dbraw/zinc/52/56/83/556525683.db2.gz UKZFMECRYGNZIV-QFIPXVFZSA-N 0 0 435.321 4.879 50 0 IJAARN COc1ccccc1/C=C/c1nc(S(=O)(=O)c2ccccc2)c(NCc2cccnc2)o1 ZINC000013592561 556530590 /nfs/dbraw/zinc/53/05/90/556530590.db2.gz YRORATWIDZPODV-BUHFOSPRSA-N 0 0 447.516 4.694 50 0 IJAARN O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000015658953 556541252 /nfs/dbraw/zinc/54/12/52/556541252.db2.gz MPWTVGUJXDCESX-MRXNPFEDSA-N 0 0 447.638 4.604 50 0 IJAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1 ZINC000032593960 556541821 /nfs/dbraw/zinc/54/18/21/556541821.db2.gz BICZXIDXZKUIQT-OAQYLSRUSA-N 0 0 425.916 4.571 50 0 IJAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2ccccn2)cc1OC ZINC000015669885 556541859 /nfs/dbraw/zinc/54/18/59/556541859.db2.gz VELNUZHBPPSYHK-UHFFFAOYSA-N 0 0 444.487 4.669 50 0 IJAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032622223 556542937 /nfs/dbraw/zinc/54/29/37/556542937.db2.gz NDKIYYDCBJNNOA-UHFFFAOYSA-N 0 0 447.516 4.742 50 0 IJAARN COc1cc(OC)c(NC(=O)Cc2ccc3nc(NC(=O)C(C)C)sc3c2)cc1Cl ZINC000032959762 556550251 /nfs/dbraw/zinc/55/02/51/556550251.db2.gz LTRKJBVCZGAPCZ-UHFFFAOYSA-N 0 0 447.944 4.743 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1F)N(C(=O)CC)c1ccccc1-2 ZINC000032997191 556551152 /nfs/dbraw/zinc/55/11/52/556551152.db2.gz WAHLQYNOXLASIZ-FQEVSTJZSA-N 0 0 428.464 4.763 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1cc(F)ccc1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997697 556551933 /nfs/dbraw/zinc/55/19/33/556551933.db2.gz LTCDAKVXIUJEMR-NRFANRHFSA-N 0 0 442.491 4.990 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 ZINC000022966391 556552947 /nfs/dbraw/zinc/55/29/47/556552947.db2.gz QWWZJFAOPFHVQT-DYESRHJHSA-N 0 0 426.925 4.943 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1Cl ZINC000033115268 556554739 /nfs/dbraw/zinc/55/47/39/556554739.db2.gz GGFGVRNPABWPGK-UHFFFAOYSA-N 0 0 434.989 4.643 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1 ZINC000033115529 556555548 /nfs/dbraw/zinc/55/55/48/556555548.db2.gz VKPYMWJBUROWIU-UHFFFAOYSA-N 0 0 426.582 4.524 50 0 IJAARN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(c3ccccn3)CC2)c1-c1ccc(F)cc1 ZINC000015839990 556556748 /nfs/dbraw/zinc/55/67/48/556556748.db2.gz MKKVJIQWWKJSDA-UHFFFAOYSA-N 0 0 444.558 4.863 50 0 IJAARN Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cn3)no2)cc1 ZINC000032906009 556557392 /nfs/dbraw/zinc/55/73/92/556557392.db2.gz MJACIYFSPUIDRH-UHFFFAOYSA-N 0 0 441.516 4.740 50 0 IJAARN CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCOCC2)cc1 ZINC000015859643 556558203 /nfs/dbraw/zinc/55/82/03/556558203.db2.gz HUDIIASPFBCNHX-HXUWFJFHSA-N 0 0 439.581 4.504 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c(C)c1 ZINC000015869487 556559995 /nfs/dbraw/zinc/55/99/95/556559995.db2.gz MITLNEDERBXXMZ-UHFFFAOYSA-N 0 0 448.588 4.761 50 0 IJAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032907902 556563925 /nfs/dbraw/zinc/56/39/25/556563925.db2.gz BWPNKUHSLCOVFM-KRWDZBQOSA-N 0 0 432.480 4.584 50 0 IJAARN COc1cccc2c(C)cc(N3CCC(O)(c4ccc(Br)cc4)CC3)nc12 ZINC000000758174 556573148 /nfs/dbraw/zinc/57/31/48/556573148.db2.gz JHCKSILEDFVLER-UHFFFAOYSA-N 0 0 427.342 4.802 50 0 IJAARN C[C@@H](Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1)c1ccccc1 ZINC000000754838 556573157 /nfs/dbraw/zinc/57/31/57/556573157.db2.gz APAFZTQPRYFQJO-OAHLLOKOSA-N 0 0 444.461 4.644 50 0 IJAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000016033724 556577012 /nfs/dbraw/zinc/57/70/12/556577012.db2.gz FMSTZFAFMSJVEQ-OAHLLOKOSA-N 0 0 425.938 4.920 50 0 IJAARN C[C@@H](CC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)NC(=O)C1CCCC1 ZINC000072310822 556577035 /nfs/dbraw/zinc/57/70/35/556577035.db2.gz KWJCPHTVEHUYSK-ZBEGNZNMSA-N 0 0 425.369 4.937 50 0 IJAARN CCOc1ccc(-n2c(CN[C@@H]3CCCc4ccccc43)nc3ccccc3c2=O)cc1 ZINC000016047202 556580646 /nfs/dbraw/zinc/58/06/46/556580646.db2.gz SMKOYBMBPBQLKV-XMMPIXPASA-N 0 0 425.532 4.952 50 0 IJAARN O=C(NC1CCCCC1)[C@@H](/C(Cl)=C/c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000034720013 556581525 /nfs/dbraw/zinc/58/15/25/556581525.db2.gz CCYJKVSNKCOMKK-TWBFQXCBSA-N 0 0 438.015 4.906 50 0 IJAARN Cc1noc(C)c1CN1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000032911797 556585128 /nfs/dbraw/zinc/58/51/28/556585128.db2.gz UWYPXIRXXVEJBV-UHFFFAOYSA-N 0 0 425.583 4.655 50 0 IJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4C(F)(F)F)c3)C(=O)[C@@H]2C1 ZINC000016156470 556585805 /nfs/dbraw/zinc/58/58/05/556585805.db2.gz NEDSRNYMOAIJTG-KBRIMQKVSA-N 0 0 430.426 4.883 50 0 IJAARN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000016162339 556586547 /nfs/dbraw/zinc/58/65/47/556586547.db2.gz WGBUHXRHGZVJEG-UHFFFAOYSA-N 0 0 440.540 4.785 50 0 IJAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)CN1CCC[C@H](C)C1)CCC2 ZINC000016193249 556589049 /nfs/dbraw/zinc/58/90/49/556589049.db2.gz MKVGNWWKDKNZET-INIZCTEOSA-N 0 0 441.597 4.558 50 0 IJAARN COc1ccccc1N1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000036352306 556597321 /nfs/dbraw/zinc/59/73/21/556597321.db2.gz ALKQWEGPTSIZLI-UHFFFAOYSA-N 0 0 431.561 4.647 50 0 IJAARN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000016285908 556597435 /nfs/dbraw/zinc/59/74/35/556597435.db2.gz KWCUNZMQVQPIRQ-UHFFFAOYSA-N 0 0 437.927 4.911 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccc(C(C)C)cc2)cc1 ZINC000016309562 556599115 /nfs/dbraw/zinc/59/91/15/556599115.db2.gz NONGEUCQFXTPJQ-UHFFFAOYSA-N 0 0 428.598 4.572 50 0 IJAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 ZINC000071768942 556600874 /nfs/dbraw/zinc/60/08/74/556600874.db2.gz HHUJJKCGOVPYIP-UHFFFAOYSA-N 0 0 439.943 4.587 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(F)cc4C)ncn3)C[C@@H]2C)cc1 ZINC000037356839 556601890 /nfs/dbraw/zinc/60/18/90/556601890.db2.gz JIUQYAWNNBJBOA-SFHVURJKSA-N 0 0 434.515 4.630 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)c1 ZINC000016352307 556602290 /nfs/dbraw/zinc/60/22/90/556602290.db2.gz DPIRPXSUFKAAJM-GOSISDBHSA-N 0 0 444.329 4.853 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC)cc3)cc2)cc1 ZINC000016361042 556602310 /nfs/dbraw/zinc/60/23/10/556602310.db2.gz HGFREVUVPSABKU-HDICACEKSA-N 0 0 432.520 4.686 50 0 IJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000016426454 556606508 /nfs/dbraw/zinc/60/65/08/556606508.db2.gz RJFUTOZAFZRMTJ-UHFFFAOYSA-N 0 0 444.350 4.984 50 0 IJAARN COc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000032986957 556606756 /nfs/dbraw/zinc/60/67/56/556606756.db2.gz PJWVPMURORTQNW-JOCHJYFZSA-N 0 0 428.941 4.706 50 0 IJAARN O=C(NCCSc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000016447771 556608067 /nfs/dbraw/zinc/60/80/67/556608067.db2.gz QYBZAXFGWZXMAL-UHFFFAOYSA-N 0 0 446.981 4.663 50 0 IJAARN CCOC(=O)c1c(CN2CCC(C(=O)OCC)CC2)nc2ccccc2c1-c1ccccc1 ZINC000016476263 556610753 /nfs/dbraw/zinc/61/07/53/556610753.db2.gz ZSZXUKBSLMOXAK-UHFFFAOYSA-N 0 0 446.547 4.854 50 0 IJAARN CCOC(=O)c1cc2cc(NC(=O)[C@H]3CCCN3C(=O)C3CCCCC3)ccc2s1 ZINC000071795546 556612033 /nfs/dbraw/zinc/61/20/33/556612033.db2.gz LDLBFVUWZQLSLG-GOSISDBHSA-N 0 0 428.554 4.588 50 0 IJAARN CC(C)(C)OC(=O)[C@@H](CC(C(F)(F)F)C(F)(F)F)NC(=O)OCc1ccccc1 ZINC000038428441 556612642 /nfs/dbraw/zinc/61/26/42/556612642.db2.gz UCDCJTVXSPRRAP-GFCCVEGCSA-N 0 0 429.357 4.754 50 0 IJAARN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC(=O)Nc1ccccc1Cl ZINC000016589554 556616715 /nfs/dbraw/zinc/61/67/15/556616715.db2.gz WZPAVKHNWJDGIP-SFHVURJKSA-N 0 0 435.955 4.505 50 0 IJAARN COc1cccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)c1 ZINC000016634707 556618952 /nfs/dbraw/zinc/61/89/52/556618952.db2.gz ZGRGAEMRSJXBDP-UHFFFAOYSA-N 0 0 435.471 4.908 50 0 IJAARN CCOc1cc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)ccc1OC ZINC000016677740 556622661 /nfs/dbraw/zinc/62/26/61/556622661.db2.gz JKQCAPYXHFJZBY-VWLOTQADSA-N 0 0 443.551 4.599 50 0 IJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 ZINC000016733887 556632384 /nfs/dbraw/zinc/63/23/84/556632384.db2.gz IFFCNASMZGPEQY-MEDUHNTESA-N 0 0 427.353 4.841 50 0 IJAARN Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000071819970 556634330 /nfs/dbraw/zinc/63/43/30/556634330.db2.gz XKIQIGMJZPXTHH-UHFFFAOYSA-N 0 0 437.297 4.933 50 0 IJAARN CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000016751051 556637395 /nfs/dbraw/zinc/63/73/95/556637395.db2.gz XLELDZGTMODBOK-HYBUGGRVSA-N 0 0 447.531 4.942 50 0 IJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(C(C)(C)C)cc1)N(CCCO)C3=O ZINC000016752024 556637838 /nfs/dbraw/zinc/63/78/38/556637838.db2.gz DVVGUGHABKWLIC-NRFANRHFSA-N 0 0 439.939 4.980 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(CC)cc2)cc1OCC ZINC000016753870 556638627 /nfs/dbraw/zinc/63/86/27/556638627.db2.gz BLJLXCFEQUIGJA-OAHLLOKOSA-N 0 0 425.485 4.502 50 0 IJAARN COC(=O)c1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000409413364 556640784 /nfs/dbraw/zinc/64/07/84/556640784.db2.gz BKHARDQNIFLFAR-JOCHJYFZSA-N 0 0 443.503 4.859 50 0 IJAARN CC(C)CC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NC(C)C)cc2[C@H]1c1ccc(F)cc1 ZINC000037603556 556645498 /nfs/dbraw/zinc/64/54/98/556645498.db2.gz XTNZJXNZRQHVHC-AVRWGWEMSA-N 0 0 440.559 4.638 50 0 IJAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)c1)NCc1ccc(F)cc1 ZINC000037600699 556646186 /nfs/dbraw/zinc/64/61/86/556646186.db2.gz UCZBZAFSGIAQPY-UHFFFAOYSA-N 0 0 434.486 4.767 50 0 IJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2 ZINC000037601371 556646220 /nfs/dbraw/zinc/64/62/20/556646220.db2.gz FBLGGGJMDSEJST-RPBOFIJWSA-N 0 0 434.580 4.563 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C(C)C)CC2)C(=O)NC(C)C ZINC000037601739 556646438 /nfs/dbraw/zinc/64/64/38/556646438.db2.gz NVFUNNAMUDKATN-LOSJGSFVSA-N 0 0 436.596 4.807 50 0 IJAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O ZINC000011744078 556649788 /nfs/dbraw/zinc/64/97/88/556649788.db2.gz YNHFFACERBRGOK-PKOBYXMFSA-N 0 0 433.552 4.627 50 0 IJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(OC)c3)c3ccccc3S2)cc1 ZINC000016953584 556650080 /nfs/dbraw/zinc/65/00/80/556650080.db2.gz WEXRCGRTNZGNLE-QHCPKHFHSA-N 0 0 448.544 4.913 50 0 IJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3)c3ccccc3S2)cc1OC ZINC000016959785 556650989 /nfs/dbraw/zinc/65/09/89/556650989.db2.gz NYAQYQNWSGGRCI-QHCPKHFHSA-N 0 0 448.544 4.913 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2ccccc2F)cc(OCC)c1OCC ZINC000011757748 556651823 /nfs/dbraw/zinc/65/18/23/556651823.db2.gz COMJANVJENSPHP-UHFFFAOYSA-N 0 0 446.544 4.767 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016993875 556651979 /nfs/dbraw/zinc/65/19/79/556651979.db2.gz OSONFRSYLMTTCN-HSZRJFAPSA-N 0 0 430.895 4.885 50 0 IJAARN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)cc1 ZINC000033000724 556654009 /nfs/dbraw/zinc/65/40/09/556654009.db2.gz WHLWYMXRGKXMLQ-UHFFFAOYSA-N 0 0 439.518 4.881 50 0 IJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)c2cc1C ZINC000033005992 556655224 /nfs/dbraw/zinc/65/52/24/556655224.db2.gz VSRJAMCLPALERI-LJQANCHMSA-N 0 0 425.532 4.861 50 0 IJAARN O=C(CCCSc1ccc(NC(=O)c2cccs2)nn1)Nc1cnc2ccccc2c1 ZINC000011794197 556656291 /nfs/dbraw/zinc/65/62/91/556656291.db2.gz XTYZXWUJGPTDBX-UHFFFAOYSA-N 0 0 449.561 4.850 50 0 IJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C)s1 ZINC000033007711 556656423 /nfs/dbraw/zinc/65/64/23/556656423.db2.gz WFTQAEKZLNQMOB-UHFFFAOYSA-N 0 0 427.910 4.547 50 0 IJAARN Cc1cc(NS(=O)(=O)c2ccc(F)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007808 556656826 /nfs/dbraw/zinc/65/68/26/556656826.db2.gz JEQOAZYQQQTGQQ-UHFFFAOYSA-N 0 0 441.509 4.797 50 0 IJAARN COc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3cccs3)n2)cc1Cl ZINC000011809817 556658203 /nfs/dbraw/zinc/65/82/03/556658203.db2.gz RDVNWXBSKJGELV-AWEZNQCLSA-N 0 0 435.958 4.740 50 0 IJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000017097184 556661149 /nfs/dbraw/zinc/66/11/49/556661149.db2.gz ZMXHIMWWUYBPQW-UHFFFAOYSA-N 0 0 430.599 4.774 50 0 IJAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(NC(=O)c4csc5c4CCCC5)c(=O)c23)C1 ZINC000017097677 556662036 /nfs/dbraw/zinc/66/20/36/556662036.db2.gz MXCGRUDGJGSMDU-SNVBAGLBSA-N 0 0 431.608 4.570 50 0 IJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)NCc1ccc(C)cc1 ZINC000033013257 556662627 /nfs/dbraw/zinc/66/26/27/556662627.db2.gz DZMMKLSDPBOGHI-UHFFFAOYSA-N 0 0 443.503 4.806 50 0 IJAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1nccc(C)n1 ZINC000017098694 556663569 /nfs/dbraw/zinc/66/35/69/556663569.db2.gz BLKLZOZNCWBOGP-UHFFFAOYSA-N 0 0 433.942 4.684 50 0 IJAARN CCn1ncc(Br)c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000017099461 556664724 /nfs/dbraw/zinc/66/47/24/556664724.db2.gz XUMVHTZBPCSWJR-UHFFFAOYSA-N 0 0 435.391 4.842 50 0 IJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCc4ccc5c(c4)OCO5)c(=O)oc3c2C)c1C ZINC000011867448 556667600 /nfs/dbraw/zinc/66/76/00/556667600.db2.gz ALTRPBZROLOAQZ-UHFFFAOYSA-N 0 0 447.487 4.751 50 0 IJAARN CC(C)[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000248145459 556669012 /nfs/dbraw/zinc/66/90/12/556669012.db2.gz DRCBEVFFLLBCGW-OFVILXPXSA-N 0 0 426.532 4.637 50 0 IJAARN Cc1c(N2C(=O)[C@H](C)S[C@@H]2c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017197798 556672913 /nfs/dbraw/zinc/67/29/13/556672913.db2.gz XHYGQADZTOROSN-YEJXKQKISA-N 0 0 448.375 4.958 50 0 IJAARN Cc1nc(NC(=O)[C@@H](C(C)C)n2cnc3ccccc32)sc1Cc1ccc2c(c1)OCO2 ZINC000032932084 556676909 /nfs/dbraw/zinc/67/69/09/556676909.db2.gz FEJDGSSGVCXBHK-JOCHJYFZSA-N 0 0 448.548 4.957 50 0 IJAARN O=C(c1ccc(Cl)cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000017988918 556681261 /nfs/dbraw/zinc/68/12/61/556681261.db2.gz XYQJFTRTDDLEDL-QZTJIDSGSA-N 0 0 431.319 4.726 50 0 IJAARN COc1ccc(CC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1OC ZINC000033019640 556684620 /nfs/dbraw/zinc/68/46/20/556684620.db2.gz PZNCATXEDVBWAK-UHFFFAOYSA-N 0 0 429.520 4.557 50 0 IJAARN CCCCOC(=O)[C@H](CCCC)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018176249 556685801 /nfs/dbraw/zinc/68/58/01/556685801.db2.gz OQPAMSKMUVBUBD-PKFSMUTISA-N 0 0 445.559 4.781 50 0 IJAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000001085744 556690233 /nfs/dbraw/zinc/69/02/33/556690233.db2.gz PNGJPVDGZNPZHY-INIZCTEOSA-N 0 0 448.791 4.547 50 0 in-vitro IJAARN COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000001091163 556690533 /nfs/dbraw/zinc/69/05/33/556690533.db2.gz DKTPBPYQCCLQPQ-STZFKDTASA-N 0 0 432.863 4.667 50 0 IJAARN CC(C)[C@H](NC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)c1cccs1 ZINC000033023024 556691198 /nfs/dbraw/zinc/69/11/98/556691198.db2.gz DPEMQPKZUBVFHD-KRWDZBQOSA-N 0 0 426.567 4.856 50 0 IJAARN Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046023947 556691205 /nfs/dbraw/zinc/69/12/05/556691205.db2.gz MCOOSKDSAKMLNB-UHFFFAOYSA-N 0 0 431.443 4.670 50 0 IJAARN Cn1cccc1CN1CC(=O)C(c2nc(-c3ccc(Br)cc3)cs2)=C1N ZINC000252571320 556691803 /nfs/dbraw/zinc/69/18/03/556691803.db2.gz XTNYQSMRJDRFGG-UHFFFAOYSA-N 0 0 429.343 4.673 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)Nc1ccccc1F ZINC000046141375 556692691 /nfs/dbraw/zinc/69/26/91/556692691.db2.gz BAVXDQCFAJESQE-UHFFFAOYSA-N 0 0 433.461 4.853 50 0 IJAARN CCCCN(C)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141332 556692753 /nfs/dbraw/zinc/69/27/53/556692753.db2.gz HXRUKSFWPDXZGK-UHFFFAOYSA-N 0 0 425.963 4.848 50 0 IJAARN Clc1ccc2c(c1)/C(=C\CN1CCN(c3ncccn3)CC1)c1ccccc1CS2 ZINC000048533941 556700471 /nfs/dbraw/zinc/70/04/71/556700471.db2.gz OHOUUXHWDCCAJS-WNFQYIGGSA-N 0 0 434.996 4.990 50 0 IJAARN O=C(Nc1ccc(F)cc1F)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026628 556703272 /nfs/dbraw/zinc/70/32/72/556703272.db2.gz HTSCSRWLECVBKP-UHFFFAOYSA-N 0 0 438.459 4.909 50 0 IJAARN CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2nnc(COc3cc(C)cc(C)c3)s2)c1 ZINC000033027442 556706419 /nfs/dbraw/zinc/70/64/19/556706419.db2.gz AWJJNOYFTKHBSS-MRXNPFEDSA-N 0 0 438.553 4.515 50 0 IJAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)nc(C)n1 ZINC000033027415 556706507 /nfs/dbraw/zinc/70/65/07/556706507.db2.gz YMGIOGJNZAXVAL-UHFFFAOYSA-N 0 0 439.585 4.792 50 0 IJAARN O=S(=O)(NCc1ccnc(Oc2ccc(F)cc2)c1)c1ccccc1C(F)(F)F ZINC000060336732 556708684 /nfs/dbraw/zinc/70/86/84/556708684.db2.gz FZJBCKXCWSMAFR-UHFFFAOYSA-N 0 0 426.391 4.510 50 0 IJAARN COCCCN1COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2C1 ZINC000013722702 556717503 /nfs/dbraw/zinc/71/75/03/556717503.db2.gz QCOCRJYFTDYUSS-UHFFFAOYSA-N 0 0 446.297 4.536 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011140010 556719975 /nfs/dbraw/zinc/71/99/75/556719975.db2.gz LAIISQYWKJIJTM-HXUWFJFHSA-N 0 0 448.350 4.513 50 0 IJAARN COc1cc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)cc(OC)c1OC ZINC000061718124 556724416 /nfs/dbraw/zinc/72/44/16/556724416.db2.gz KSDHCINVGVUDEH-UHFFFAOYSA-N 0 0 435.505 4.879 50 0 IJAARN CCCOc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000072328493 556725811 /nfs/dbraw/zinc/72/58/11/556725811.db2.gz NDIGOHFIRVJMFY-UHFFFAOYSA-N 0 0 439.556 4.964 50 0 IJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2F)CC1 ZINC000072328440 556725914 /nfs/dbraw/zinc/72/59/14/556725914.db2.gz DHMCRZMZGBHFJD-UHFFFAOYSA-N 0 0 440.950 4.836 50 0 IJAARN COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc2c(C)cc(F)cc12 ZINC000072328798 556726453 /nfs/dbraw/zinc/72/64/53/556726453.db2.gz AJKCGMMPBFMGHF-UHFFFAOYSA-N 0 0 427.907 4.615 50 0 IJAARN CN(CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000019335954 556738314 /nfs/dbraw/zinc/73/83/14/556738314.db2.gz DWJYIAYOAWRGBN-UHFFFAOYSA-N 0 0 449.864 4.883 50 0 IJAARN COC(=O)c1ccc(N2CCN(Cc3nc(-c4cccc5ccccc54)oc3C)CC2)cc1 ZINC000055384979 556741047 /nfs/dbraw/zinc/74/10/47/556741047.db2.gz BBQHIVSEMCBGFL-UHFFFAOYSA-N 0 0 441.531 4.912 50 0 IJAARN Cc1ccc(Cl)c(NC(=S)NCCN2CCN(c3ccc(Cl)cc3C)CC2)c1 ZINC000055545146 556741964 /nfs/dbraw/zinc/74/19/64/556741964.db2.gz ANFHFMVLEZDVPP-UHFFFAOYSA-N 0 0 437.440 4.719 50 0 IJAARN CSc1ccc(CNC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000033048975 556745768 /nfs/dbraw/zinc/74/57/68/556745768.db2.gz JHEVKBWRGDCSOA-UHFFFAOYSA-N 0 0 449.963 4.755 50 0 IJAARN CCC[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000060367514 556748316 /nfs/dbraw/zinc/74/83/16/556748316.db2.gz TWQCIQNASNAONQ-SFHVURJKSA-N 0 0 433.405 4.662 50 0 IJAARN CC(C)C[C@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000060367474 556748843 /nfs/dbraw/zinc/74/88/43/556748843.db2.gz MUTRDCRCEUDCIO-FQEVSTJZSA-N 0 0 447.432 4.908 50 0 IJAARN COCCn1cc(C(=O)Oc2ccc(-c3nc(-c4ccccc4)cs3)cc2)ccc1=O ZINC000058008453 556752748 /nfs/dbraw/zinc/75/27/48/556752748.db2.gz FXUHLBWYWVJZKI-UHFFFAOYSA-N 0 0 432.501 4.504 50 0 IJAARN CCN(Cc1ccc(Br)s1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058014109 556753379 /nfs/dbraw/zinc/75/33/79/556753379.db2.gz HXKWDWYRUZRMQP-UHFFFAOYSA-N 0 0 432.387 4.904 50 0 IJAARN COC(=O)c1sccc1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000011152425 556755134 /nfs/dbraw/zinc/75/51/34/556755134.db2.gz BXVYMWIQABEIBO-UHFFFAOYSA-N 0 0 446.554 4.622 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)c(CSc3nnc(Cc4ccccc4F)n3N)n2c1 ZINC000011168883 556760792 /nfs/dbraw/zinc/76/07/92/556760792.db2.gz MHLAVUVHCOHZRI-UHFFFAOYSA-N 0 0 444.539 4.637 50 0 IJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCCO3)c(=O)oc12 ZINC000005346481 556767433 /nfs/dbraw/zinc/76/74/33/556767433.db2.gz ZPEAPORZIRRWHA-INIZCTEOSA-N 0 0 425.525 4.681 50 0 IJAARN CC(C)(C(=O)Nc1nc(-c2ccccc2Cl)cs1)n1cc(Br)cn1 ZINC000058177826 556769639 /nfs/dbraw/zinc/76/96/39/556769639.db2.gz MLQOGWOUIOXKLL-UHFFFAOYSA-N 0 0 425.739 4.796 50 0 IJAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)no1 ZINC000058226939 556773821 /nfs/dbraw/zinc/77/38/21/556773821.db2.gz VFLGTHSJFRUSKL-SJORKVTESA-N 0 0 438.553 4.855 50 0 IJAARN Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000058246797 556775545 /nfs/dbraw/zinc/77/55/45/556775545.db2.gz UUSGEXDKLGCVCT-HXUWFJFHSA-N 0 0 428.920 4.766 50 0 IJAARN O=C(N[C@@H](CC1CCCCC1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000058297793 556778356 /nfs/dbraw/zinc/77/83/56/556778356.db2.gz SYQVSANFOGGSDA-QHCPKHFHSA-N 0 0 426.582 4.668 50 0 IJAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000058310376 556779750 /nfs/dbraw/zinc/77/97/50/556779750.db2.gz YTQGTXXQAGMHOX-HSZRJFAPSA-N 0 0 430.552 4.511 50 0 IJAARN CCCOc1c(Cl)cc(C(=O)N(CC)c2ccc(Br)cn2)cc1OC ZINC000058355351 556782423 /nfs/dbraw/zinc/78/24/23/556782423.db2.gz DBNSEYBGJBXBQS-UHFFFAOYSA-N 0 0 427.726 4.962 50 0 IJAARN O=c1c(Cl)c(N2CCC[C@@H]2CCc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000058425607 556787693 /nfs/dbraw/zinc/78/76/93/556787693.db2.gz VKLOYVGRCMUQML-QGZVFWFLSA-N 0 0 448.876 4.901 50 0 IJAARN CCn1cnnc1C1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000058424089 556787720 /nfs/dbraw/zinc/78/77/20/556787720.db2.gz RXIWBDOCUDJCEP-UHFFFAOYSA-N 0 0 441.535 4.542 50 0 IJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058434847 556788392 /nfs/dbraw/zinc/78/83/92/556788392.db2.gz XWKDQQVRUVBGJJ-UHFFFAOYSA-N 0 0 433.549 4.635 50 0 IJAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)N(C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000058441266 556789192 /nfs/dbraw/zinc/78/91/92/556789192.db2.gz XVFLWCMZDXGGQK-ZRZAMGCNSA-N 0 0 428.504 4.597 50 0 IJAARN CC[S@](=O)c1ccccc1C(=O)O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000058669736 556791057 /nfs/dbraw/zinc/79/10/57/556791057.db2.gz ZQZMPFXANHNBMG-IDPPAEMMSA-N 0 0 438.427 4.801 50 0 IJAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1)CCCC2 ZINC000002621859 556800557 /nfs/dbraw/zinc/80/05/57/556800557.db2.gz KVBIFQIULGIQSC-UHFFFAOYSA-N 0 0 428.554 4.678 50 0 IJAARN O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(F)ccc1Br ZINC000033053001 556803450 /nfs/dbraw/zinc/80/34/50/556803450.db2.gz ROYKPVAKSCKUDN-UHFFFAOYSA-N 0 0 426.307 4.557 50 0 IJAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccccc1)N(C)C ZINC000002726021 556803457 /nfs/dbraw/zinc/80/34/57/556803457.db2.gz HRQUWEDKYDUERH-IBGZPJMESA-N 0 0 444.004 4.973 50 0 IJAARN COc1ccc(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OC)c1OC ZINC000059741409 556803926 /nfs/dbraw/zinc/80/39/26/556803926.db2.gz SNKOXRYJVBPESK-UHFFFAOYSA-N 0 0 440.565 4.661 50 0 IJAARN CC[C@@H](C(=O)N(CC)c1ccccc1)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057658 556807574 /nfs/dbraw/zinc/80/75/74/556807574.db2.gz UZJUTAFJIXBGTI-SFHVURJKSA-N 0 0 436.899 4.709 50 0 IJAARN COC(=O)c1sc2nc(C)nc(SCC(=O)c3ccc(OC(F)F)cc3)c2c1C ZINC000003309926 556809424 /nfs/dbraw/zinc/80/94/24/556809424.db2.gz LQBLBATVPPYKOP-UHFFFAOYSA-N 0 0 438.477 4.671 50 0 IJAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003586191 556817933 /nfs/dbraw/zinc/81/79/33/556817933.db2.gz QYZPEYQHUDQORL-UHFFFAOYSA-N 0 0 432.145 4.835 50 0 IJAARN CC[C@H](C(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1)c1ccccc1 ZINC000033067866 556820068 /nfs/dbraw/zinc/82/00/68/556820068.db2.gz GKOPEUPMYQDEBD-NRFANRHFSA-N 0 0 427.504 4.714 50 0 IJAARN Cc1ccn2c(=O)cc(COc3cc(NC(=O)c4ccccc4Cl)ccc3C)nc2c1 ZINC000033068051 556820109 /nfs/dbraw/zinc/82/01/09/556820109.db2.gz GEVULBMLQVQTKC-UHFFFAOYSA-N 0 0 433.895 4.796 50 0 IJAARN Cc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033068288 556821917 /nfs/dbraw/zinc/82/19/17/556821917.db2.gz ITPOBDXGHUMVGQ-UHFFFAOYSA-N 0 0 434.883 4.879 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450489 556824205 /nfs/dbraw/zinc/82/42/05/556824205.db2.gz VTXCUALYZWYOKD-UHFFFAOYSA-N 0 0 439.562 4.984 50 0 IJAARN Cc1ccccc1CN1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000064662279 556826243 /nfs/dbraw/zinc/82/62/43/556826243.db2.gz BWYJIYJODSRLSW-VWLOTQADSA-N 0 0 435.593 4.875 50 0 IJAARN O=C(NCc1ccco1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002107 556830751 /nfs/dbraw/zinc/83/07/51/556830751.db2.gz RMSLAIYFWRVEPG-UHFFFAOYSA-N 0 0 446.938 4.738 50 0 IJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc3cccc(OC)c3oc1=N)C[C@H](C)CC2 ZINC000019631814 556832781 /nfs/dbraw/zinc/83/27/81/556832781.db2.gz MBXPKPLUVKKBFN-GFCCVEGCSA-N 0 0 440.521 4.536 50 0 IJAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000019644367 556839197 /nfs/dbraw/zinc/83/91/97/556839197.db2.gz YXRSFQYDEFEOSK-BJMVGYQFSA-N 0 0 446.378 4.950 50 0 IJAARN COc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1OC ZINC000019646646 556840548 /nfs/dbraw/zinc/84/05/48/556840548.db2.gz UZBHWWFIAXMVRP-UHFFFAOYSA-N 0 0 447.922 4.940 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2CC)cc1 ZINC000019647170 556840811 /nfs/dbraw/zinc/84/08/11/556840811.db2.gz QPXJJXFNJMXKNA-UHFFFAOYSA-N 0 0 448.495 4.696 50 0 IJAARN Cc1cccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000067340579 556842521 /nfs/dbraw/zinc/84/25/21/556842521.db2.gz BFANJARTCLPRIJ-UHFFFAOYSA-N 0 0 443.446 4.608 50 0 IJAARN Cc1cccc(Cn2cc(S(=O)(=O)c3cccc(C)c3)c(=O)c3cc(F)c(F)cc32)c1 ZINC000067340577 556842589 /nfs/dbraw/zinc/84/25/89/556842589.db2.gz JBISYXWADOBUJH-UHFFFAOYSA-N 0 0 439.483 4.778 50 0 IJAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccc(F)cc3)n2N)c2ccccc2)c1 ZINC000008757156 556845750 /nfs/dbraw/zinc/84/57/50/556845750.db2.gz UKZFIKQFYWIFIL-NRFANRHFSA-N 0 0 447.539 4.887 50 0 IJAARN CCN(c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1)C(C)C ZINC000096815074 556846559 /nfs/dbraw/zinc/84/65/59/556846559.db2.gz BKIFEWUZDSQLPE-HAVVHWLPSA-N 0 0 442.523 4.805 50 0 IJAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)N1CCN(c2ccccc2)CC1 ZINC000008854268 556850224 /nfs/dbraw/zinc/85/02/24/556850224.db2.gz DRILKQCMMDFCDY-UHFFFAOYSA-N 0 0 444.025 4.980 50 0 IJAARN COc1ccc(C)cc1NC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072875 556852524 /nfs/dbraw/zinc/85/25/24/556852524.db2.gz KUUQIDILLHLSRZ-UHFFFAOYSA-N 0 0 432.499 4.897 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000033077541 556854577 /nfs/dbraw/zinc/85/45/77/556854577.db2.gz KQGAZUYRWBWUTQ-UHFFFAOYSA-N 0 0 433.895 4.917 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000033085307 556855402 /nfs/dbraw/zinc/85/54/02/556855402.db2.gz QHQJWBWQOSBXNX-UHFFFAOYSA-N 0 0 428.895 4.792 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccc(OC)cc3s2)cc1 ZINC000033088166 556855943 /nfs/dbraw/zinc/85/59/43/556855943.db2.gz KKSOPLNXOJHJDT-KRWDZBQOSA-N 0 0 434.521 4.754 50 0 IJAARN CC(=O)c1cccc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c1 ZINC000033087477 556857642 /nfs/dbraw/zinc/85/76/42/556857642.db2.gz BQLJVIMPWIMADN-UHFFFAOYSA-N 0 0 449.536 4.629 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)s1 ZINC000033113261 556859951 /nfs/dbraw/zinc/85/99/51/556859951.db2.gz RCPOHLAVSHXAEA-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 ZINC000033113249 556859985 /nfs/dbraw/zinc/85/99/85/556859985.db2.gz YOOXXELLSYPEDN-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN O=S(=O)(Nc1ccc(-c2noc(Cc3cccs3)n2)cc1)c1ccc(Cl)cc1 ZINC000033122943 556863900 /nfs/dbraw/zinc/86/39/00/556863900.db2.gz YCTRHQSAQIUFLX-UHFFFAOYSA-N 0 0 431.926 4.843 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033128117 556865076 /nfs/dbraw/zinc/86/50/76/556865076.db2.gz XPVOQCQUSKIONW-HNNXBMFYSA-N 0 0 443.956 4.631 50 0 IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128145 556865080 /nfs/dbraw/zinc/86/50/80/556865080.db2.gz GCUCVEQGANJFIA-HNNXBMFYSA-N 0 0 441.940 4.516 50 0 IJAARN CC(C)CCNC(=O)c1cccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 ZINC000033130055 556869236 /nfs/dbraw/zinc/86/92/36/556869236.db2.gz ZLEJYMJQDDDELR-UHFFFAOYSA-N 0 0 436.577 4.608 50 0 IJAARN O=C(NC1CCCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129936 556869472 /nfs/dbraw/zinc/86/94/72/556869472.db2.gz VKOJGDAVIFJDNB-UHFFFAOYSA-N 0 0 426.582 4.591 50 0 IJAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1OC ZINC000033173501 556883330 /nfs/dbraw/zinc/88/33/30/556883330.db2.gz UOHOPWPZAPBBCP-UHFFFAOYSA-N 0 0 440.443 4.893 50 0 IJAARN CC(=O)Nc1c(C)noc1/C=C\c1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1 ZINC000033170552 556886094 /nfs/dbraw/zinc/88/60/94/556886094.db2.gz QMHSNSLIATZIRO-QXMHVHEDSA-N 0 0 439.537 4.838 50 0 IJAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)N(C(C)C)C(=O)c2ccccc2O3)cc1 ZINC000033170925 556886668 /nfs/dbraw/zinc/88/66/68/556886668.db2.gz GXFFTPIRGDQCLM-UHFFFAOYSA-N 0 0 443.503 4.524 50 0 IJAARN CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1 ZINC000033254462 556890498 /nfs/dbraw/zinc/89/04/98/556890498.db2.gz ADLPUXKADPNHFA-UHFFFAOYSA-N 0 0 444.535 4.667 50 0 IJAARN Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033254474 556890554 /nfs/dbraw/zinc/89/05/54/556890554.db2.gz IZJSDSLFWFKWNY-UHFFFAOYSA-N 0 0 448.498 4.552 50 0 IJAARN CC[C@H](C(=O)Nc1ccc(F)cc1F)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251193 556892096 /nfs/dbraw/zinc/89/20/96/556892096.db2.gz PNRZLPNQNQYKCM-MRXNPFEDSA-N 0 0 439.384 4.900 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000033252384 556892879 /nfs/dbraw/zinc/89/28/79/556892879.db2.gz IMAIQMJGJLIAQE-UHFFFAOYSA-N 0 0 429.476 4.741 50 0 IJAARN O=C(Nc1ccc(Br)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000033255233 556894800 /nfs/dbraw/zinc/89/48/00/556894800.db2.gz UCOOPXNYMAEHSV-UHFFFAOYSA-N 0 0 427.302 4.911 50 0 IJAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000033255304 556895051 /nfs/dbraw/zinc/89/50/51/556895051.db2.gz WEERWTVYVSJPPF-UHFFFAOYSA-N 0 0 440.887 4.573 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)c1 ZINC000033257036 556895533 /nfs/dbraw/zinc/89/55/33/556895533.db2.gz RTEHBRPUUPZWTG-UHFFFAOYSA-N 0 0 440.503 4.834 50 0 IJAARN Cc1nc2ncccn2c1C(=O)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000019792962 556915719 /nfs/dbraw/zinc/91/57/19/556915719.db2.gz CJFRADDAXLJWPI-FQEVSTJZSA-N 0 0 440.503 4.565 50 0 IJAARN O=c1[nH]c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)NC(=O)CO5)n3)ccc2o1 ZINC000019798821 556916706 /nfs/dbraw/zinc/91/67/06/556916706.db2.gz HANXTWNEEIOPQW-UHFFFAOYSA-N 0 0 435.439 4.848 50 0 IJAARN COc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c(OC)c1OC ZINC000019808349 556918321 /nfs/dbraw/zinc/91/83/21/556918321.db2.gz IXGFDLKNLSPKQB-UHFFFAOYSA-N 0 0 448.563 4.823 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2cccnc2)cc1 ZINC000019823486 556924912 /nfs/dbraw/zinc/92/49/12/556924912.db2.gz KHLPSXWNMVZBEM-UHFFFAOYSA-N 0 0 437.475 4.647 50 0 IJAARN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019860950 556933401 /nfs/dbraw/zinc/93/34/01/556933401.db2.gz ZZLXABJRHXJCEC-GOSISDBHSA-N 0 0 434.989 4.644 50 0 IJAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1 ZINC000019867777 556934838 /nfs/dbraw/zinc/93/48/38/556934838.db2.gz NZESZKALDSMEBV-UHFFFAOYSA-N 0 0 428.598 4.607 50 0 IJAARN COc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCOCC2)cc1 ZINC000019897887 556940997 /nfs/dbraw/zinc/94/09/97/556940997.db2.gz LNTWFBZMJCINQC-LJQANCHMSA-N 0 0 444.984 4.675 50 0 IJAARN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)c2c1 ZINC000019901889 556942019 /nfs/dbraw/zinc/94/20/19/556942019.db2.gz ZJGSKEPKQIMVCB-OAQYLSRUSA-N 0 0 426.944 4.760 50 0 IJAARN Cc1nn(-c2ccccc2Cl)c2c1cc(Br)cc(Br)c2=O ZINC000019909797 556943129 /nfs/dbraw/zinc/94/31/29/556943129.db2.gz XRDZBBFDXTUHJJ-UHFFFAOYSA-N 0 0 428.511 4.873 50 0 IJAARN CCc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911134 556943146 /nfs/dbraw/zinc/94/31/46/556943146.db2.gz RYYXACFNDYJMIM-UHFFFAOYSA-N 0 0 442.344 4.582 50 0 IJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C(C)C)cc1OC ZINC000019913041 556943693 /nfs/dbraw/zinc/94/36/93/556943693.db2.gz UJBSPNJCXQOSFO-LAUBAEHRSA-N 0 0 431.330 4.992 50 0 IJAARN C[C@@H](NC(=O)C1CCN(c2nccn3nc(-c4cccs4)cc23)CC1)c1ccccc1 ZINC000033266545 556977263 /nfs/dbraw/zinc/97/72/63/556977263.db2.gz HLNADMCNIYDCHY-QGZVFWFLSA-N 0 0 431.565 4.552 50 0 IJAARN Cc1cc(NC(=O)C2CCN(c3nccn4nc(-c5ccc(F)cc5)cc34)CC2)ccc1F ZINC000033266736 556978052 /nfs/dbraw/zinc/97/80/52/556978052.db2.gz MOYRYLMKZMADIB-UHFFFAOYSA-N 0 0 447.489 4.838 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000097046075 556979448 /nfs/dbraw/zinc/97/94/48/556979448.db2.gz YVPCDJJNWZBXTP-SFTDATJTSA-N 0 0 432.927 4.783 50 0 IJAARN COc1cccc(C(=O)N2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)c1 ZINC000076989326 556995388 /nfs/dbraw/zinc/99/53/88/556995388.db2.gz ALABJFDHDSSMMW-MRXNPFEDSA-N 0 0 430.932 4.628 50 0 IJAARN O=C(Nc1sc2c(c1[C@H](c1ccccn1)N1CCOCC1)CCCC2)c1ccccc1 ZINC000020192903 556996544 /nfs/dbraw/zinc/99/65/44/556996544.db2.gz NGILJVYBLDUJKV-QHCPKHFHSA-N 0 0 433.577 4.696 50 0 IJAARN O=c1c2nc(N3CCCC3)sc2c(-c2ccco2)nn1Cc1ccc(C(F)(F)F)cc1 ZINC000023109007 557003719 /nfs/dbraw/zinc/00/37/19/557003719.db2.gz FEAFOKYFRFVAFA-UHFFFAOYSA-N 0 0 446.454 4.780 50 0 IJAARN CCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3ccc(Br)cc32)CC1 ZINC000020286814 557005434 /nfs/dbraw/zinc/00/54/34/557005434.db2.gz OKPRTQJJWORJDM-UHFFFAOYSA-N 0 0 431.252 4.796 50 0 IJAARN COc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000023119236 557007205 /nfs/dbraw/zinc/00/72/05/557007205.db2.gz XOPOWZXCFBLBSS-QFIPXVFZSA-N 0 0 449.528 4.643 50 0 IJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1F ZINC000023125775 557007416 /nfs/dbraw/zinc/00/74/16/557007416.db2.gz OPLFVFQEAMLFSH-UHFFFAOYSA-N 0 0 438.933 4.926 50 0 IJAARN CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1F ZINC000023126502 557008277 /nfs/dbraw/zinc/00/82/77/557008277.db2.gz NEUQPBMIRVAXIK-UHFFFAOYSA-N 0 0 437.489 4.979 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccs3)C2=O)c1 ZINC000020353690 557009683 /nfs/dbraw/zinc/00/96/83/557009683.db2.gz TZFJEAXRDSODGZ-HXUWFJFHSA-N 0 0 437.496 4.562 50 0 IJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(C)c1 ZINC000020357043 557011170 /nfs/dbraw/zinc/01/11/70/557011170.db2.gz TYQKYMNWOYYYKC-UHFFFAOYSA-N 0 0 437.590 4.864 50 0 IJAARN Fc1cccc(Cl)c1CN1CCN(CCCNc2nc(-c3ccccc3)ns2)CC1 ZINC000020412740 557013969 /nfs/dbraw/zinc/01/39/69/557013969.db2.gz QAHSTJXTEQBHBE-UHFFFAOYSA-N 0 0 445.995 4.617 50 0 IJAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000020408324 557014047 /nfs/dbraw/zinc/01/40/47/557014047.db2.gz OZRGJMYPWTVUQM-UHFFFAOYSA-N 0 0 437.590 4.945 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(C)c(C)c5)n4ccn3n2)cc1 ZINC000045971311 557014257 /nfs/dbraw/zinc/01/42/57/557014257.db2.gz QIJAMCQTHDJXDZ-UHFFFAOYSA-N 0 0 442.548 4.700 50 0 IJAARN Cc1ccc(CN(C(=O)c2cccc(CS(C)(=O)=O)c2)[C@@H]2CCc3ccccc32)cc1 ZINC000058108112 557016169 /nfs/dbraw/zinc/01/61/69/557016169.db2.gz YQLCYYWAQYCFDQ-RUZDIDTESA-N 0 0 433.573 4.870 50 0 IJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)N[C@@H](C)c2ccccc2)cc3C)cc1 ZINC000045990691 557016452 /nfs/dbraw/zinc/01/64/52/557016452.db2.gz PKHAVORLCMCMSH-SFHVURJKSA-N 0 0 428.536 4.856 50 0 IJAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCc1cccnc1 ZINC000020440422 557016903 /nfs/dbraw/zinc/01/69/03/557016903.db2.gz AQXVYRPEMLGXJW-UHFFFAOYSA-N 0 0 446.580 4.698 50 0 IJAARN Cc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010696982 557018719 /nfs/dbraw/zinc/01/87/19/557018719.db2.gz WXCIWCQINGYTRO-HSZRJFAPSA-N 0 0 425.532 4.545 50 0 IJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(N(C)C)cc3)nn2-c2cccc(Cl)c2)cc1 ZINC000046012624 557019053 /nfs/dbraw/zinc/01/90/53/557019053.db2.gz URJFHSXFBIECKM-UHFFFAOYSA-N 0 0 447.926 4.915 50 0 IJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3ccc(C(F)(F)F)cc3)n2n1 ZINC000046012573 557019163 /nfs/dbraw/zinc/01/91/63/557019163.db2.gz QDDQAJULBXLIAP-UHFFFAOYSA-N 0 0 430.455 4.758 50 0 IJAARN CCOc1cc(-c2nnc(NC(=O)Cc3ccc(C)c(C)c3)o2)cc(OCC)c1OCC ZINC000010702619 557020137 /nfs/dbraw/zinc/02/01/37/557020137.db2.gz XBBPFHSDOMHUAW-UHFFFAOYSA-N 0 0 439.512 4.731 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)n2)cc1 ZINC000046018738 557020646 /nfs/dbraw/zinc/02/06/46/557020646.db2.gz CKMOINMCZDLIGI-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@H]4CC(=O)N(C5CCCCC5)C4)cc3)n2)cc1 ZINC000046018751 557020679 /nfs/dbraw/zinc/02/06/79/557020679.db2.gz WOOSZEJIWBXOLF-FQEVSTJZSA-N 0 0 444.535 4.832 50 0 IJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nc(-c5ccccc5)no4)cc3)CC2=O)cc1 ZINC000046018664 557020712 /nfs/dbraw/zinc/02/07/12/557020712.db2.gz XMAACJXVENSRLY-HXUWFJFHSA-N 0 0 438.487 4.704 50 0 IJAARN CCCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032313 557024570 /nfs/dbraw/zinc/02/45/70/557024570.db2.gz MJXXYIRJWXYXHP-UHFFFAOYSA-N 0 0 448.592 4.705 50 0 IJAARN COc1ccc(CN(Cc2cc(=O)n3nc(C4CC4)sc3n2)c2ccc(C)cc2)cc1 ZINC000046032425 557025133 /nfs/dbraw/zinc/02/51/33/557025133.db2.gz GFWYERVTHUWHAT-UHFFFAOYSA-N 0 0 432.549 4.552 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc12 ZINC000010765157 557025306 /nfs/dbraw/zinc/02/53/06/557025306.db2.gz CMLNVPWRHPQGFB-UHFFFAOYSA-N 0 0 430.533 4.674 50 0 IJAARN Cc1cc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C(C)C)cc1Cl ZINC000010776435 557025550 /nfs/dbraw/zinc/02/55/50/557025550.db2.gz FXAHVUXARPETCV-UHFFFAOYSA-N 0 0 428.960 4.572 50 0 IJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1 ZINC000023143932 557025779 /nfs/dbraw/zinc/02/57/79/557025779.db2.gz RHXSFVSTVMZZJQ-UHFFFAOYSA-N 0 0 437.858 4.748 50 0 IJAARN COC(=O)c1c(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)sc2c1CC[C@H](C)C2 ZINC000021797886 557026898 /nfs/dbraw/zinc/02/68/98/557026898.db2.gz OWGOYJXRIUGGBN-ZDUSSCGKSA-N 0 0 425.506 4.596 50 0 IJAARN CC[C@@H](NC(=O)CCCOc1ccccc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275057 557027459 /nfs/dbraw/zinc/02/74/59/557027459.db2.gz QOJOUUBKIZMHRQ-GOSISDBHSA-N 0 0 444.329 4.926 50 0 IJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCc3ccc(Cl)cc3)c2cc1C ZINC000032944934 557028119 /nfs/dbraw/zinc/02/81/19/557028119.db2.gz NFHBBHAVQNYAQQ-ZDUSSCGKSA-N 0 0 437.849 4.563 50 0 IJAARN CCOc1ccc(-n2ccn3c(SCc4cccc(C(F)(F)F)c4)nnc3c2=O)cc1 ZINC000046047744 557028374 /nfs/dbraw/zinc/02/83/74/557028374.db2.gz FHQSHDZDGXKBDV-UHFFFAOYSA-N 0 0 446.454 4.590 50 0 IJAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCN2CCOCC2)c1 ZINC000023153887 557028815 /nfs/dbraw/zinc/02/88/15/557028815.db2.gz QMCARBMZCDOMKM-UHFFFAOYSA-N 0 0 447.970 4.875 50 0 IJAARN CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077432 557033105 /nfs/dbraw/zinc/03/31/05/557033105.db2.gz PJMLJECIOWXLLK-UHFFFAOYSA-N 0 0 442.924 4.561 50 0 IJAARN O=C(c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1)N1CCc2ccccc2C1 ZINC000046079969 557035332 /nfs/dbraw/zinc/03/53/32/557035332.db2.gz VEYYJLJLLCJNGO-UHFFFAOYSA-N 0 0 443.522 4.857 50 0 IJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)ccc1C ZINC000017179772 557038203 /nfs/dbraw/zinc/03/82/03/557038203.db2.gz GMHDUGIQHQUTBH-UHFFFAOYSA-N 0 0 438.940 4.910 50 0 IJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)cc1 ZINC000017201129 557040427 /nfs/dbraw/zinc/04/04/27/557040427.db2.gz BACUSCFCHJVWBG-UHFFFAOYSA-N 0 0 427.279 4.931 50 0 IJAARN C[C@@H]1c2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc3c2N(CCC3)C1=O ZINC000017247587 557042034 /nfs/dbraw/zinc/04/20/34/557042034.db2.gz LSJAPBNTJVVSSC-MRXNPFEDSA-N 0 0 434.517 4.676 50 0 IJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1cc2c(cc1Br)OCCO2 ZINC000010864839 557043660 /nfs/dbraw/zinc/04/36/60/557043660.db2.gz XFNFTPKCJRWZAA-UHFFFAOYSA-N 0 0 447.354 4.803 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000017287981 557045343 /nfs/dbraw/zinc/04/53/43/557045343.db2.gz NVOXCOFCPZJSKO-UHFFFAOYSA-N 0 0 437.974 4.541 50 0 IJAARN C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000023181360 557045390 /nfs/dbraw/zinc/04/53/90/557045390.db2.gz JEKIDGXLWNNTSW-JPYJTQIMSA-N 0 0 429.605 4.836 50 0 IJAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4F)n3)nc2c1 ZINC000033270735 557047655 /nfs/dbraw/zinc/04/76/55/557047655.db2.gz RJCRIFWYKPPGEA-UHFFFAOYSA-N 0 0 445.907 4.910 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271782 557050118 /nfs/dbraw/zinc/05/01/18/557050118.db2.gz CEOIAPLDUQJPMJ-UHFFFAOYSA-N 0 0 445.376 4.519 50 0 IJAARN Cc1cccc2sc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)nc21 ZINC000004732545 557050353 /nfs/dbraw/zinc/05/03/53/557050353.db2.gz HDYGTOWEELERED-UHFFFAOYSA-N 0 0 429.548 4.719 50 0 aggregator IJAARN CCn1cnnc1CNc1nc(-c2ccccn2)nc2sc(C)c(-c3ccccc3)c21 ZINC000048287225 557052964 /nfs/dbraw/zinc/05/29/64/557052964.db2.gz YYMCWQKQOMYHSI-UHFFFAOYSA-N 0 0 427.537 4.952 50 0 IJAARN CCOC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(OCC)cc1 ZINC000017315120 557053159 /nfs/dbraw/zinc/05/31/59/557053159.db2.gz URMGDTGZQZMOOD-HNNXBMFYSA-N 0 0 436.537 4.858 50 0 IJAARN COc1ccc2c(c1)CCCN2C(=O)c1cnc2c(cnn2Cc2ccccc2Cl)c1 ZINC000048275780 557056038 /nfs/dbraw/zinc/05/60/38/557056038.db2.gz TUIQMGAUCHADPE-UHFFFAOYSA-N 0 0 432.911 4.735 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4cccs4)nc3sc2c1=O)Nc1ccccc1F ZINC000033284011 557063462 /nfs/dbraw/zinc/06/34/62/557063462.db2.gz YYISIRHRMINLAP-UHFFFAOYSA-N 0 0 436.493 4.513 50 0 IJAARN CCc1ccc(NC(=O)Cn2cnc3c4ccc(-c5cccs5)nc4sc3c2=O)cc1 ZINC000033284026 557063485 /nfs/dbraw/zinc/06/34/85/557063485.db2.gz QCYPSFMATXKLKA-UHFFFAOYSA-N 0 0 446.557 4.936 50 0 IJAARN CCN(CC)c1ccc(NC(=O)Cn2c3ccccc3c(NC3CCCC3)nc2=O)c(C)c1 ZINC000033287463 557064633 /nfs/dbraw/zinc/06/46/33/557064633.db2.gz QDYYLDWCBCBNND-UHFFFAOYSA-N 0 0 447.583 4.544 50 0 IJAARN CCc1cccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(OC)c3)CC2)c1 ZINC000033288344 557065615 /nfs/dbraw/zinc/06/56/15/557065615.db2.gz UGIOMIZRVRDPKS-UHFFFAOYSA-N 0 0 432.524 4.695 50 0 IJAARN COc1cccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033289004 557066507 /nfs/dbraw/zinc/06/65/07/557066507.db2.gz ZZFFDXZRFNNTDB-MRXNPFEDSA-N 0 0 425.579 4.914 50 0 IJAARN CCN1CCN(C(=O)c2ccccc2Sc2nccnc2Oc2ccc(C)cc2)CC1 ZINC000033289220 557066856 /nfs/dbraw/zinc/06/68/56/557066856.db2.gz VDPJCIAQMLMEJG-UHFFFAOYSA-N 0 0 434.565 4.506 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(C(=O)c4cccc(Br)c4)CC3)no2)cc1 ZINC000033281821 557067415 /nfs/dbraw/zinc/06/74/15/557067415.db2.gz ATKROHKUKRNVHJ-UHFFFAOYSA-N 0 0 426.314 4.827 50 0 IJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc4cc(OC)ccc4o3)cs2)c1 ZINC000010883678 557068297 /nfs/dbraw/zinc/06/82/97/557068297.db2.gz MRWIIPIBZJOGGY-UHFFFAOYSA-N 0 0 442.518 4.611 50 0 IJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3ccc(C)c(C)c3)no2)c1C ZINC000033296836 557072840 /nfs/dbraw/zinc/07/28/40/557072840.db2.gz SARRMKNIHQILLE-UHFFFAOYSA-N 0 0 426.480 4.932 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000033297903 557073829 /nfs/dbraw/zinc/07/38/29/557073829.db2.gz QYNLHJPZCHMAJH-KAMYIIQDSA-N 0 0 425.510 4.611 50 0 IJAARN O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000023223757 557074491 /nfs/dbraw/zinc/07/44/91/557074491.db2.gz CESCSACZUXWKOE-UHFFFAOYSA-N 0 0 429.520 4.607 50 0 IJAARN C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1nnc(-c2cccs2)o1 ZINC000010886546 557074561 /nfs/dbraw/zinc/07/45/61/557074561.db2.gz MITYAHRHGFRKGI-ZDUSSCGKSA-N 0 0 438.484 4.920 50 0 IJAARN CC(C)[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000011287631 557077043 /nfs/dbraw/zinc/07/70/43/557077043.db2.gz DRCBEVFFLLBCGW-PXDATVDWSA-N 0 0 426.532 4.637 50 0 IJAARN COc1ccc(-c2noc(CSc3nnc([C@@H](C)Oc4ccccc4F)o3)n2)cc1 ZINC000023263942 557080848 /nfs/dbraw/zinc/08/08/48/557080848.db2.gz VHQWKFKMSJJCHX-GFCCVEGCSA-N 0 0 428.445 4.700 50 0 IJAARN CN(c1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000048986855 557082560 /nfs/dbraw/zinc/08/25/60/557082560.db2.gz XXPWWOICFHMTMX-UHFFFAOYSA-N 0 0 440.468 4.844 50 0 IJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005300 557084211 /nfs/dbraw/zinc/08/42/11/557084211.db2.gz NNVDMYOJJZJNFR-KRWDZBQOSA-N 0 0 432.524 4.873 50 0 IJAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000049006120 557084863 /nfs/dbraw/zinc/08/48/63/557084863.db2.gz QMYLHNFEBGTYFU-UHFFFAOYSA-N 0 0 445.951 4.653 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1cc(NCc2ccc(Cl)cc2)ncn1 ZINC000049006718 557085397 /nfs/dbraw/zinc/08/53/97/557085397.db2.gz LACHBRJPIRYXAI-UHFFFAOYSA-N 0 0 428.945 4.790 50 0 IJAARN O=C(NC1(c2nc(C3CCCC3)no2)CCOCC1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000585141852 557085655 /nfs/dbraw/zinc/08/56/55/557085655.db2.gz GVCYHLQZBPSMFT-INIZCTEOSA-N 0 0 441.425 4.579 50 0 IJAARN COc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)c(OC)c1 ZINC000033307206 557086390 /nfs/dbraw/zinc/08/63/90/557086390.db2.gz BMNDXFNMRUXPGI-UHFFFAOYSA-N 0 0 431.448 4.585 50 0 IJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1I ZINC000011326577 557088575 /nfs/dbraw/zinc/08/85/75/557088575.db2.gz MLZKZIOZWIFXMS-UHFFFAOYSA-N 0 0 436.224 4.657 50 0 IJAARN O=C(Cc1noc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000010908732 557093114 /nfs/dbraw/zinc/09/31/14/557093114.db2.gz VKTGOYIDBUERNY-UHFFFAOYSA-N 0 0 426.451 4.679 50 0 IJAARN O=C(c1ccccc1OCC1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000033310361 557093975 /nfs/dbraw/zinc/09/39/75/557093975.db2.gz GOBMDDGFVPHFLS-UHFFFAOYSA-N 0 0 426.944 4.507 50 0 IJAARN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c1ccccc1Br ZINC000023525940 557095809 /nfs/dbraw/zinc/09/58/09/557095809.db2.gz LXGUTKWIITZLGM-UZLBHIALSA-N 0 0 431.374 4.779 50 0 IJAARN O=C(NC1CC1)c1cccc(OC[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000033311729 557095857 /nfs/dbraw/zinc/09/58/57/557095857.db2.gz UHHRXERTKAKEPJ-INIZCTEOSA-N 0 0 446.469 4.529 50 0 IJAARN O=C(NC1CC1)c1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1 ZINC000033311724 557095874 /nfs/dbraw/zinc/09/58/74/557095874.db2.gz DUZHJCKLXFXFSO-MRXNPFEDSA-N 0 0 446.469 4.529 50 0 IJAARN Cc1cc(F)ccc1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000049403622 557099235 /nfs/dbraw/zinc/09/92/35/557099235.db2.gz GWYZQZAKUPDNSG-UHFFFAOYSA-N 0 0 428.895 4.656 50 0 IJAARN COc1cc(OC)nc(Oc2cccc(-c3ccncc3)c2C(=O)OCc2ccccc2)n1 ZINC000085389102 557101181 /nfs/dbraw/zinc/10/11/81/557101181.db2.gz MDIQQWYYWPGEES-UHFFFAOYSA-N 0 0 443.459 4.705 50 0 IJAARN O=C(COc1ccccc1)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1 ZINC000033320614 557103829 /nfs/dbraw/zinc/10/38/29/557103829.db2.gz PSGJARQTZJEOFF-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN CCCCOc1ccc(C(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1 ZINC000585147530 557104857 /nfs/dbraw/zinc/10/48/57/557104857.db2.gz FOAXYLZDEURESE-UHFFFAOYSA-N 0 0 445.563 4.642 50 0 IJAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(C)n1 ZINC000033324513 557106272 /nfs/dbraw/zinc/10/62/72/557106272.db2.gz KRQJZRIKKHJWPB-UHFFFAOYSA-N 0 0 445.976 4.829 50 0 IJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000023695959 557107245 /nfs/dbraw/zinc/10/72/45/557107245.db2.gz SYTUHDAYPHZUOT-HSZRJFAPSA-N 0 0 428.561 4.969 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3ccccc3C)nn2c1C ZINC000086069785 557108069 /nfs/dbraw/zinc/10/80/69/557108069.db2.gz CRAOJHXEUDLIFV-UHFFFAOYSA-N 0 0 435.915 4.560 50 0 IJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1 ZINC000049421652 557108426 /nfs/dbraw/zinc/10/84/26/557108426.db2.gz FQWDOGPRNBLWLU-UHFFFAOYSA-N 0 0 449.454 4.980 50 0 IJAARN COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(F)c4)cc3)cn2)c1 ZINC000049421821 557108685 /nfs/dbraw/zinc/10/86/85/557108685.db2.gz FDRMIGAGAWMZON-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN COc1ccc(Br)c(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)c1 ZINC000585148241 557109074 /nfs/dbraw/zinc/10/90/74/557109074.db2.gz TXRVPTFOMLPEID-CQSZACIVSA-N 0 0 438.368 4.711 50 0 IJAARN COc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)cc1 ZINC000049422185 557109239 /nfs/dbraw/zinc/10/92/39/557109239.db2.gz KPHDLZXMKJGVMY-UHFFFAOYSA-N 0 0 444.466 4.584 50 0 IJAARN COc1cccc(C(=O)N2CCC(Oc3nc4c(s3)c(C)ccc4C)CC2)c1OC ZINC000049442398 557110198 /nfs/dbraw/zinc/11/01/98/557110198.db2.gz FIULBZMQRRGWCO-UHFFFAOYSA-N 0 0 426.538 4.614 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000017720089 557111259 /nfs/dbraw/zinc/11/12/59/557111259.db2.gz AXIBNHGLXOYOHJ-IYBDPMFKSA-N 0 0 446.956 4.750 50 0 IJAARN CSc1ccc([C@H]2CC(=O)N(c3cc(F)c(F)c(F)c3)c3c2sc(=O)n3C)cc1 ZINC000049546878 557112081 /nfs/dbraw/zinc/11/20/81/557112081.db2.gz XSQACSRZVSNVRK-CYBMUJFWSA-N 0 0 436.480 4.786 50 0 IJAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)c(OC)c1OC ZINC000049547325 557112148 /nfs/dbraw/zinc/11/21/48/557112148.db2.gz JLRQOYKWHSFPRA-OAHLLOKOSA-N 0 0 427.888 4.734 50 0 IJAARN Cc1nc(COc2cccc(C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)c2)cs1 ZINC000017737435 557112802 /nfs/dbraw/zinc/11/28/02/557112802.db2.gz AYBPFMASDJEHQI-UHFFFAOYSA-N 0 0 437.473 4.508 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328904 557112818 /nfs/dbraw/zinc/11/28/18/557112818.db2.gz VSIPJZBTSUSANT-UHFFFAOYSA-N 0 0 445.504 4.667 50 0 IJAARN Cc1ccc(N2C(=O)N(CN3CCC(c4nc5ccccc5s4)CC3)C(=O)[C@@H]2C)cc1 ZINC000023743231 557113503 /nfs/dbraw/zinc/11/35/03/557113503.db2.gz FJYYUESXQKPWMF-KRWDZBQOSA-N 0 0 434.565 4.599 50 0 IJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361154 557113557 /nfs/dbraw/zinc/11/35/57/557113557.db2.gz ODPVUTQFFMMVOL-UHFFFAOYSA-N 0 0 443.488 4.644 50 0 IJAARN Cc1nn(C)c2ncc(C(=O)NC[C@H](c3c[nH]c4ccccc34)c3ccccc3Cl)cc12 ZINC000023746351 557113999 /nfs/dbraw/zinc/11/39/99/557113999.db2.gz HWCAVBJNYQSCAH-FQEVSTJZSA-N 0 0 443.938 4.973 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccc(F)cc1 ZINC000023777805 557115560 /nfs/dbraw/zinc/11/55/60/557115560.db2.gz QIEOSYFJKPYGPH-QFIPXVFZSA-N 0 0 449.507 4.578 50 0 IJAARN CCn1c(COc2ccccc2C)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000001050821 557118401 /nfs/dbraw/zinc/11/84/01/557118401.db2.gz DOJOBGUQWFSJGM-UHFFFAOYSA-N 0 0 446.370 4.923 50 0 IJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cc(C(=O)C(=O)N4CCCCCC4)c3c2)c(C)c1 ZINC000085823352 557120301 /nfs/dbraw/zinc/12/03/01/557120301.db2.gz ZHAQOXJXXIMKMI-LJQANCHMSA-N 0 0 445.563 4.861 50 0 IJAARN c1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccncc2)cc1 ZINC000023886584 557123839 /nfs/dbraw/zinc/12/38/39/557123839.db2.gz HOYBPNVDISOWIY-UHFFFAOYSA-N 0 0 426.505 4.731 50 0 IJAARN CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CCO1 ZINC000023893992 557124108 /nfs/dbraw/zinc/12/41/08/557124108.db2.gz ZIZVXLYKYHTUSI-OAQYLSRUSA-N 0 0 444.510 4.537 50 0 IJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc([C@H](O)c2ccco2)s1 ZINC000206685028 557126642 /nfs/dbraw/zinc/12/66/42/557126642.db2.gz ZBJYHRYVPRICAP-HXUWFJFHSA-N 0 0 428.897 4.970 50 0 IJAARN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023957293 557128092 /nfs/dbraw/zinc/12/80/92/557128092.db2.gz BOTBOLAPONALGL-UHFFFAOYSA-N 0 0 443.572 4.833 50 0 IJAARN O=C(c1ccccc1Cl)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000023968800 557128691 /nfs/dbraw/zinc/12/86/91/557128691.db2.gz QEGPGTIXCYOAHE-UHFFFAOYSA-N 0 0 436.968 4.674 50 0 IJAARN Cc1c(C(=O)N(C)C)sc(NC(=O)c2ccc(Cl)cc2Cl)c1C(=O)OC(C)C ZINC000000668481 557131918 /nfs/dbraw/zinc/13/19/18/557131918.db2.gz CHEIEPFHHASFFD-UHFFFAOYSA-N 0 0 443.352 4.883 50 0 IJAARN O=C(Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)c1cccs1 ZINC000024029016 557132315 /nfs/dbraw/zinc/13/23/15/557132315.db2.gz XICZZZBWLLUFBB-KRWDZBQOSA-N 0 0 448.548 4.883 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3C)C2)c2ccccc12 ZINC000017964119 557133480 /nfs/dbraw/zinc/13/34/80/557133480.db2.gz HWQNEVZEKISUPY-WOJBJXKFSA-N 0 0 430.548 4.886 50 0 IJAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F ZINC000003457666 557137777 /nfs/dbraw/zinc/13/77/77/557137777.db2.gz DZFUELBMUBGLLL-AWEZNQCLSA-N 0 0 442.516 4.588 50 0 IJAARN O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000000702463 557138086 /nfs/dbraw/zinc/13/80/86/557138086.db2.gz JYHFQMPCBAJMGP-UHFFFAOYSA-N 0 0 442.562 4.580 50 0 IJAARN Ic1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000091301358 557141067 /nfs/dbraw/zinc/14/10/67/557141067.db2.gz QHQHALMULRXBKM-UHFFFAOYSA-N 0 0 437.284 4.723 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024394724 557146292 /nfs/dbraw/zinc/14/62/92/557146292.db2.gz BPMUMUDFYWMNCZ-UHFFFAOYSA-N 0 0 438.890 4.960 50 0 IJAARN CN(C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2Br)cc1 ZINC000003149670 557146715 /nfs/dbraw/zinc/14/67/15/557146715.db2.gz KZQZFOFYKMSENU-UHFFFAOYSA-N 0 0 428.124 4.504 50 0 IJAARN CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CSc1nnnn1-c1ccccc1 ZINC000584906274 557146761 /nfs/dbraw/zinc/14/67/61/557146761.db2.gz SLSQDXUWHPZWRG-INIZCTEOSA-N 0 0 449.580 4.584 50 0 IJAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)N(Cc1cccs1)Cc1cccs1 ZINC000024466755 557147717 /nfs/dbraw/zinc/14/77/17/557147717.db2.gz CYWUDKFSIRLVNF-UHFFFAOYSA-N 0 0 443.575 4.883 50 0 IJAARN O=C(COc1cccc(NC(=O)C2CC2)c1)N(Cc1cccs1)Cc1cccs1 ZINC000024470142 557147770 /nfs/dbraw/zinc/14/77/70/557147770.db2.gz UITJFKQYRCSYDB-UHFFFAOYSA-N 0 0 426.563 4.766 50 0 IJAARN O=C(CSc1ccc2c(c1)CCC2)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000011451789 557150139 /nfs/dbraw/zinc/15/01/39/557150139.db2.gz MQJLEFHYQMDKRC-UHFFFAOYSA-N 0 0 435.574 4.914 50 0 IJAARN CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 ZINC000011472036 557152225 /nfs/dbraw/zinc/15/22/25/557152225.db2.gz FUJUTVXERIUGHI-UHFFFAOYSA-N 0 0 427.917 4.877 50 0 IJAARN Cc1cc(NC(=O)C2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)no1 ZINC000024653435 557157318 /nfs/dbraw/zinc/15/73/18/557157318.db2.gz RLRFETIIAPWXEE-UHFFFAOYSA-N 0 0 446.551 4.565 50 0 IJAARN COc1ccc2nc(S[C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)nc(C)c2c1 ZINC000095496431 557158072 /nfs/dbraw/zinc/15/80/72/557158072.db2.gz CKVYTCFWQSYERP-OAQYLSRUSA-N 0 0 429.501 4.524 50 0 IJAARN COc1ccc2c(c1)CC[C@H]1C2=NN(c2nc(-c3ccccc3)cs2)[C@@]1(O)C(F)(F)F ZINC000016957591 557159189 /nfs/dbraw/zinc/15/91/89/557159189.db2.gz WHSPSQBXFFKVHF-UWJYYQICSA-N 0 0 445.466 4.856 50 0 IJAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)Nc1c(F)cccc1F ZINC000024720018 557160672 /nfs/dbraw/zinc/16/06/72/557160672.db2.gz LJKLVHBOTSLFKL-JTQLQIEISA-N 0 0 426.539 4.652 50 0 IJAARN Cc1ccc(-c2nc(CN(c3nccs3)S(=O)(=O)c3ccccc3)co2)c(C)c1 ZINC000024771973 557165951 /nfs/dbraw/zinc/16/59/51/557165951.db2.gz WQJDPVZFYMUYSG-UHFFFAOYSA-N 0 0 425.535 4.810 50 0 IJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)c2ccc(C)cc2)C2CC2)o1 ZINC000000741019 557167345 /nfs/dbraw/zinc/16/73/45/557167345.db2.gz XUZRMFQWPPFURI-UHFFFAOYSA-N 0 0 434.511 4.869 50 0 IJAARN O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000206985710 557168865 /nfs/dbraw/zinc/16/88/65/557168865.db2.gz UWEDGWCIKLCTDP-UHFFFAOYSA-N 0 0 448.470 4.503 50 0 IJAARN Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1Cl ZINC000000758778 557170987 /nfs/dbraw/zinc/17/09/87/557170987.db2.gz NKHDEAMHQYXGGP-UHFFFAOYSA-N 0 0 449.985 4.536 50 0 aggregator IJAARN O=S(=O)(c1ccc(SCc2csc(-c3ccco3)n2)nc1)N1CCCCCC1 ZINC000024842959 557173603 /nfs/dbraw/zinc/17/36/03/557173603.db2.gz RXJUWBFVMZHAKS-UHFFFAOYSA-N 0 0 435.596 4.655 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097994292 557187628 /nfs/dbraw/zinc/18/76/28/557187628.db2.gz QQCSOEFRCFQUSB-QGOAFFKASA-N 0 0 425.370 4.589 50 0 IJAARN COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCOCC2)cc1 ZINC000098003018 557189136 /nfs/dbraw/zinc/18/91/36/557189136.db2.gz ZSFOZMSGGCTKJZ-FBKQIBBUSA-N 0 0 428.532 4.839 50 0 IJAARN C[C@H](Oc1ccccc1)c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 ZINC000009526175 557190454 /nfs/dbraw/zinc/19/04/54/557190454.db2.gz VHFUERAJODWVMZ-IBGZPJMESA-N 0 0 444.560 4.816 50 0 IJAARN COCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000025046950 557190562 /nfs/dbraw/zinc/19/05/62/557190562.db2.gz ZEZLAVGJLPAFSL-UHFFFAOYSA-N 0 0 436.352 4.800 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2CC(C)C)cc1 ZINC000009582944 557190601 /nfs/dbraw/zinc/19/06/01/557190601.db2.gz ZTOGMDVVHJTRBP-UHFFFAOYSA-N 0 0 438.553 4.543 50 0 IJAARN OCCCc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000100869006 557193592 /nfs/dbraw/zinc/19/35/92/557193592.db2.gz CRZBERNAWPNGAN-SFHVURJKSA-N 0 0 445.748 4.675 50 0 IJAARN O=S(=O)(c1ccccc1)N(Cc1csc(-c2ccc(F)cc2)n1)c1nccs1 ZINC000025078236 557194502 /nfs/dbraw/zinc/19/45/02/557194502.db2.gz FWQCWCZWRIELSJ-UHFFFAOYSA-N 0 0 431.539 4.801 50 0 IJAARN COc1ccc(-c2nnc(SC[C@H](O)Cn3c4ccccc4c4ccccc43)n2C)cc1 ZINC000025089465 557195219 /nfs/dbraw/zinc/19/52/19/557195219.db2.gz QPQUVLFAFHCMDI-GOSISDBHSA-N 0 0 444.560 4.752 50 0 IJAARN CCc1nc([C@H](C)CC)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccc(F)cc1 ZINC000096316941 557198861 /nfs/dbraw/zinc/19/88/61/557198861.db2.gz DICURNXSLVJANJ-GOSISDBHSA-N 0 0 438.591 4.731 50 0 IJAARN O=C1C[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)N1c1ccc(Cl)cc1F ZINC000100911875 557199928 /nfs/dbraw/zinc/19/99/28/557199928.db2.gz ZFDRLBJSLWNNAK-LBPRGKRZSA-N 0 0 439.217 4.971 50 0 IJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 ZINC000025274371 557202127 /nfs/dbraw/zinc/20/21/27/557202127.db2.gz OJZLMEPKJQBXAC-UHFFFAOYSA-N 0 0 449.561 4.627 50 0 IJAARN O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000025329362 557204537 /nfs/dbraw/zinc/20/45/37/557204537.db2.gz LHRIVSFQXKAOOV-HSZRJFAPSA-N 0 0 436.983 4.629 50 0 IJAARN Cc1nc2cc(C(=O)OCC(=O)N[C@H](C)CCc3ccccc3)ccc2n1-c1ccccc1 ZINC000025394518 557207726 /nfs/dbraw/zinc/20/77/26/557207726.db2.gz KENHBIVXYHVYSC-LJQANCHMSA-N 0 0 441.531 4.628 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1OC ZINC000011617245 557212990 /nfs/dbraw/zinc/21/29/90/557212990.db2.gz ABMGDPHPCTXVQD-UHFFFAOYSA-N 0 0 425.329 4.904 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 ZINC000025606385 557218732 /nfs/dbraw/zinc/21/87/32/557218732.db2.gz ZFLCRFXRAWNASH-UHFFFAOYSA-N 0 0 446.557 4.525 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032949438 557225580 /nfs/dbraw/zinc/22/55/80/557225580.db2.gz GUXGXVLJSKUCPR-QGZVFWFLSA-N 0 0 446.878 4.541 50 0 IJAARN COc1ccc2c(c1)C1=C([C@H](c3ccccc3F)O2)[C@@H](c2ccc(F)cc2)N2NC=NC2=N1 ZINC000025783917 557226496 /nfs/dbraw/zinc/22/64/96/557226496.db2.gz ANMWZQSRUSFVKA-RPWUZVMVSA-N 0 0 444.441 4.778 50 0 IJAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCc3sccc3[C@H]2c2ccccc2)C1 ZINC000025904836 557230080 /nfs/dbraw/zinc/23/00/80/557230080.db2.gz JBBMDXJJWOIJAG-XMSQKQJNSA-N 0 0 436.602 4.836 50 0 IJAARN C[C@H](NC(=O)C1(c2ccc(Br)cc2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000026065728 557233201 /nfs/dbraw/zinc/23/32/01/557233201.db2.gz QAANUVVUCDGRPP-INIZCTEOSA-N 0 0 439.357 4.719 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000026089542 557233976 /nfs/dbraw/zinc/23/39/76/557233976.db2.gz ZEZBXPLATSSBQT-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN O=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2Br)c2ccccc21 ZINC000098181669 557234303 /nfs/dbraw/zinc/23/43/03/557234303.db2.gz ATOBJZOVMPIWCJ-UHFFFAOYSA-N 0 0 448.729 4.751 50 0 IJAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1cccc(Br)c1 ZINC000032951184 557240104 /nfs/dbraw/zinc/24/01/04/557240104.db2.gz RLBOTWFEAFUGHI-UHFFFAOYSA-N 0 0 427.224 4.639 50 0 IJAARN CCN1c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583648955 557241923 /nfs/dbraw/zinc/24/19/23/557241923.db2.gz FXWAQYOTXZAAGH-IBGZPJMESA-N 0 0 446.320 4.633 50 0 IJAARN C[C@H](NC(=O)c1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1)c1ccccc1 ZINC000032951205 557241941 /nfs/dbraw/zinc/24/19/41/557241941.db2.gz VJRAEUAXYGUIEX-HNNXBMFYSA-N 0 0 441.516 4.539 50 0 IJAARN Cc1noc(C)c1CN(Cc1c(C)noc1C)c1n[nH]cc1-c1cc(Cl)ccc1O ZINC000583651975 557242241 /nfs/dbraw/zinc/24/22/41/557242241.db2.gz WNLNCBFKXSTNAA-UHFFFAOYSA-N 0 0 427.892 4.852 50 0 IJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000026923054 557251336 /nfs/dbraw/zinc/25/13/36/557251336.db2.gz KLAUGHGMRLEGDQ-YADARESESA-N 0 0 435.527 4.931 50 0 IJAARN COc1cc(CCNC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F ZINC000018204955 557251529 /nfs/dbraw/zinc/25/15/29/557251529.db2.gz ZDXRGQFOJQRURG-UHFFFAOYSA-N 0 0 425.431 4.893 50 0 IJAARN O=C1C[C@@H](N2CCC(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000018222855 557252872 /nfs/dbraw/zinc/25/28/72/557252872.db2.gz OOHUTZJTXBMHHW-LJQANCHMSA-N 0 0 436.861 4.870 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101094523 557254002 /nfs/dbraw/zinc/25/40/02/557254002.db2.gz XMIDVZYCXSUATH-UHFFFAOYSA-N 0 0 442.537 4.737 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000027019659 557254462 /nfs/dbraw/zinc/25/44/62/557254462.db2.gz CPKLRXUXHUSFON-QHCPKHFHSA-N 0 0 427.504 4.608 50 0 IJAARN CCOc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000101098132 557254832 /nfs/dbraw/zinc/25/48/32/557254832.db2.gz BVWGGNMNALAHCY-ZLNRFVROSA-N 0 0 448.906 4.790 50 0 IJAARN O=c1/c(=C/c2cccc(Oc3ccccc3)c2)sc2nc(/C=C/c3cccs3)nn12 ZINC000027022060 557255548 /nfs/dbraw/zinc/25/55/48/557255548.db2.gz OMQDTPQPUFZEBH-MMFIDHTCSA-N 0 0 429.526 4.723 50 0 IJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@H]1Cc2ccccc2C(=O)O1 ZINC000027082148 557256639 /nfs/dbraw/zinc/25/66/39/557256639.db2.gz NBOLFTBHXRSZGL-GBXCKJPGSA-N 0 0 444.918 4.851 50 0 IJAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000027161247 557258631 /nfs/dbraw/zinc/25/86/31/557258631.db2.gz KBNSSVQXCUFXCJ-QPPBQGQZSA-N 0 0 438.543 4.830 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000027348673 557260738 /nfs/dbraw/zinc/26/07/38/557260738.db2.gz PECWOTKCALNYBO-HXUWFJFHSA-N 0 0 444.988 4.665 50 0 IJAARN C[C@@H](C(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000027561777 557265507 /nfs/dbraw/zinc/26/55/07/557265507.db2.gz PVAMIUAGHCODQA-PPHZAIPVSA-N 0 0 449.554 4.697 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000027580170 557266478 /nfs/dbraw/zinc/26/64/78/557266478.db2.gz DXYFKEGATUDHSS-UHFFFAOYSA-N 0 0 447.516 4.809 50 0 IJAARN Cc1ccccc1C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000027663505 557269721 /nfs/dbraw/zinc/26/97/21/557269721.db2.gz LMTAZSRLABHLCI-IBGZPJMESA-N 0 0 443.952 4.738 50 0 IJAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027663800 557269953 /nfs/dbraw/zinc/26/99/53/557269953.db2.gz JKHNCNFFPKDCCB-HSZRJFAPSA-N 0 0 425.440 4.576 50 0 IJAARN O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCC(Cc2ccccc2)CC1 ZINC000027794847 557274778 /nfs/dbraw/zinc/27/47/78/557274778.db2.gz SNTFQGQNNAPCII-UHFFFAOYSA-N 0 0 426.310 4.650 50 0 IJAARN CSc1ccccc1NC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000031039897 557281422 /nfs/dbraw/zinc/28/14/22/557281422.db2.gz UHFRCMHKJXCYDB-UHFFFAOYSA-N 0 0 426.369 4.614 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)NC(C)(C)C)=CSC2=N1 ZINC000101405237 557282144 /nfs/dbraw/zinc/28/21/44/557282144.db2.gz UQEZNNQAHIVCAG-OAQYLSRUSA-N 0 0 441.597 4.746 50 0 IJAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1OC ZINC000101095153 557282978 /nfs/dbraw/zinc/28/29/78/557282978.db2.gz SXWQGVPVCHLPBI-UHFFFAOYSA-N 0 0 430.460 4.675 50 0 IJAARN CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)N[C@@H](C)CC)=CSC2=N1 ZINC000101394771 557283480 /nfs/dbraw/zinc/28/34/80/557283480.db2.gz NCQUGXRIHQWCJI-RBZFPXEDSA-N 0 0 447.988 4.783 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1cccc(Cl)c1 ZINC000011665528 557284173 /nfs/dbraw/zinc/28/41/73/557284173.db2.gz FXQISMLSNOSZNK-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccccc2)CC1 ZINC000014052055 557292249 /nfs/dbraw/zinc/29/22/49/557292249.db2.gz WPPSXJMGSFHCBP-UHFFFAOYSA-N 0 0 430.335 4.930 50 0 IJAARN COCC[NH2+]Cc1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000013112591 557296178 /nfs/dbraw/zinc/29/61/78/557296178.db2.gz MIVDSVFVLGSWRQ-UHFFFAOYSA-N 0 0 429.152 4.527 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccc(OC)c1)N2 ZINC000101945722 557296969 /nfs/dbraw/zinc/29/69/69/557296969.db2.gz SGTKAQYEFNTGPF-HHXXYDBFSA-N 0 0 436.478 4.957 50 0 IJAARN CC[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 ZINC000014068868 557297424 /nfs/dbraw/zinc/29/74/24/557297424.db2.gz GCGCHJVCXPBXPT-MRXNPFEDSA-N 0 0 435.391 4.613 50 0 IJAARN O=C(NCc1ccccc1F)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827780 557299474 /nfs/dbraw/zinc/29/94/74/557299474.db2.gz BTIPJLDCJWAQLP-UHFFFAOYSA-N 0 0 446.869 4.541 50 0 IJAARN COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1 ZINC000014094999 557302823 /nfs/dbraw/zinc/30/28/23/557302823.db2.gz OAENHPFYHZQESD-UHFFFAOYSA-N 0 0 446.528 4.857 50 0 IJAARN Cc1ccc(C2=Nc3nc(NC(=O)c4cccnc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101837046 557303292 /nfs/dbraw/zinc/30/32/92/557303292.db2.gz OUOJBVGPRDNNEQ-NRFANRHFSA-N 0 0 442.910 4.943 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1C ZINC000101880430 557304554 /nfs/dbraw/zinc/30/45/54/557304554.db2.gz WHHSPDBMXOWKQD-UHFFFAOYSA-N 0 0 446.938 4.526 50 0 IJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(Br)cc1)C(=O)[C@H]1CCCC1=N2 ZINC000101946374 557308117 /nfs/dbraw/zinc/30/81/17/557308117.db2.gz XZBWSFFOBUSLQH-KRWDZBQOSA-N 0 0 440.341 4.924 50 0 IJAARN COc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C(c3cccs3)CC2=O)cc1 ZINC000101947969 557308627 /nfs/dbraw/zinc/30/86/27/557308627.db2.gz MXAZYAMBZLWPLR-UHFFFAOYSA-N 0 0 433.533 4.870 50 0 IJAARN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)c2c1cnn2-c1ccc(F)cc1 ZINC000023137662 557312272 /nfs/dbraw/zinc/31/22/72/557312272.db2.gz OUBJKSILSGPNFN-UHFFFAOYSA-N 0 0 427.892 4.647 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)n2[C@H]2CCCC[C@H]2C)cc1 ZINC000102319760 557316513 /nfs/dbraw/zinc/31/65/13/557316513.db2.gz HNUYMRHVXZBNGA-HLIPFELVSA-N 0 0 430.618 4.958 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)[C@H]1C ZINC000102325425 557319013 /nfs/dbraw/zinc/31/90/13/557319013.db2.gz FEZCXRDDVKUDOY-UWVAXJGDSA-N 0 0 437.565 4.699 50 0 IJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(Br)cc2)N1CCc1ccccc1 ZINC000032986945 557321700 /nfs/dbraw/zinc/32/17/00/557321700.db2.gz WLBIXLXFALZUDK-OAQYLSRUSA-N 0 0 443.366 4.807 50 0 IJAARN Cc1cc(C)cc(-c2nn(CN3CCC[C@@H](c4nnc5n4CCCCC5)C3)c(=S)o2)c1 ZINC000014250401 557330158 /nfs/dbraw/zinc/33/01/58/557330158.db2.gz LLWSPYKEBRYEIC-GOSISDBHSA-N 0 0 438.601 4.644 50 0 IJAARN CC(C)Oc1ccc(CNC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033283663 557331778 /nfs/dbraw/zinc/33/17/78/557331778.db2.gz RBQMZSZJTJQQTG-UHFFFAOYSA-N 0 0 448.567 4.763 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4ccc(C)cc4C)CC3=O)c2)c1 ZINC000033308638 557333432 /nfs/dbraw/zinc/33/34/32/557333432.db2.gz UFOIFKVVHKDLMN-OAQYLSRUSA-N 0 0 441.531 4.856 50 0 IJAARN CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)NC(=O)N[C@H]1C ZINC000014357103 557335410 /nfs/dbraw/zinc/33/54/10/557335410.db2.gz LJVKBCLFUUEOTK-HNNXBMFYSA-N 0 0 449.532 4.619 50 0 IJAARN O=C(c1cccnc1Cl)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023329757 557339696 /nfs/dbraw/zinc/33/96/96/557339696.db2.gz KICQUWVNZFOCHU-NRFANRHFSA-N 0 0 426.347 4.936 50 0 IJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)NCc3ccccc3Cl)C(=O)C2)cc1 ZINC000102529618 557340717 /nfs/dbraw/zinc/34/07/17/557340717.db2.gz CAKPVSHVHRVPFO-UHFFFAOYSA-N 0 0 431.923 4.822 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(-n3nc(C)c(Cc4ccccc4)c3C)n2)cc1 ZINC000014609277 557345126 /nfs/dbraw/zinc/34/51/26/557345126.db2.gz MHXMZNWMSRPJLB-UHFFFAOYSA-N 0 0 432.549 4.726 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000023332863 557346267 /nfs/dbraw/zinc/34/62/67/557346267.db2.gz LFSXVCQYHNXMFI-UHFFFAOYSA-N 0 0 431.536 4.767 50 0 IJAARN C[C@@H]1CN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)C[C@H](C)O1 ZINC000023334647 557349404 /nfs/dbraw/zinc/34/94/04/557349404.db2.gz WRSPNCADXZOABG-BGYRXZFFSA-N 0 0 444.579 4.983 50 0 IJAARN COc1ccc(CC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1OC ZINC000102562824 557354465 /nfs/dbraw/zinc/35/44/65/557354465.db2.gz SJWOXVXUDDXFBA-UHFFFAOYSA-N 0 0 436.508 4.736 50 0 IJAARN CCSc1nc2n(n1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102578252 557355116 /nfs/dbraw/zinc/35/51/16/557355116.db2.gz MMCGQINPRCRJKX-GOSISDBHSA-N 0 0 444.557 4.724 50 0 IJAARN CCOC(=O)c1nn(-c2ccc(C(=O)NCC(CC)CC)cc2)c2c1Cc1ccccc1-2 ZINC000023432184 557355386 /nfs/dbraw/zinc/35/53/86/557355386.db2.gz KMAPQIPXQYGCMN-UHFFFAOYSA-N 0 0 431.536 4.786 50 0 IJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NC[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023456189 557362321 /nfs/dbraw/zinc/36/23/21/557362321.db2.gz HSLZOGWVSAFACJ-GOSISDBHSA-N 0 0 443.551 4.963 50 0 IJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000023475865 557363261 /nfs/dbraw/zinc/36/32/61/557363261.db2.gz VBCBJPODTVZCST-UHFFFAOYSA-N 0 0 437.443 4.925 50 0 IJAARN COCCN(C)C1=Nc2ccccc2Oc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 ZINC000102696919 557364967 /nfs/dbraw/zinc/36/49/67/557364967.db2.gz LMBXTSCFLKKYTR-UHFFFAOYSA-N 0 0 433.483 4.769 50 0 IJAARN CN(Cc1c(F)cccc1Cl)C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000023528867 557365445 /nfs/dbraw/zinc/36/54/45/557365445.db2.gz CGBSEPJMDGWCQK-UHFFFAOYSA-N 0 0 438.886 4.667 50 0 IJAARN COc1ccc(-c2csc(C3=C(N)N(Cc4ccc(OC)c(OC)c4)CC3=O)n2)cc1 ZINC000102734728 557372422 /nfs/dbraw/zinc/37/24/22/557372422.db2.gz SHPLBPCTPVPQKH-UHFFFAOYSA-N 0 0 437.521 4.598 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102711251 557373809 /nfs/dbraw/zinc/37/38/09/557373809.db2.gz YXEPNMZUECRAEI-QHAWAJNXSA-N 0 0 449.304 4.500 50 0 IJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102719174 557375330 /nfs/dbraw/zinc/37/53/30/557375330.db2.gz KRQORUMZGUNJPE-YTFSRNRJSA-N 0 0 432.907 4.954 50 0 IJAARN CCOc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102739541 557380606 /nfs/dbraw/zinc/38/06/06/557380606.db2.gz BVWGGNMNALAHCY-YTFSRNRJSA-N 0 0 448.906 4.790 50 0 IJAARN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102760877 557385231 /nfs/dbraw/zinc/38/52/31/557385231.db2.gz JDGAMABBGGXDNF-YPAWHYETSA-N 0 0 434.492 4.599 50 0 IJAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3nc4ccccc4s3)c2c1C ZINC000023989320 557390213 /nfs/dbraw/zinc/39/02/13/557390213.db2.gz DILOYXTXLWYELR-UHFFFAOYSA-N 0 0 428.608 4.901 50 0 IJAARN Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)s1 ZINC000072400372 557394292 /nfs/dbraw/zinc/39/42/92/557394292.db2.gz XXGYWQMKFZAQFX-HXUWFJFHSA-N 0 0 432.549 4.932 50 0 IJAARN COc1ccc(CNC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)cc1OC ZINC000072402251 557395435 /nfs/dbraw/zinc/39/54/35/557395435.db2.gz JZORDPFBLQTUKV-QGZVFWFLSA-N 0 0 438.351 4.839 50 0 IJAARN Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)c23)cc1 ZINC000033466849 557400524 /nfs/dbraw/zinc/40/05/24/557400524.db2.gz QEXBHDADZXISSO-UHFFFAOYSA-N 0 0 447.541 4.973 50 0 IJAARN C[C@@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2cccs2)Cc2ccccc2)[C@H]1C ZINC000103233805 557427977 /nfs/dbraw/zinc/42/79/77/557427977.db2.gz FBORSIAAQPABHS-LVCYWYKZSA-N 0 0 429.655 4.566 50 0 IJAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103298794 557433728 /nfs/dbraw/zinc/43/37/28/557433728.db2.gz VAGBWCOECHETHL-QRVBRYPASA-N 0 0 435.593 4.715 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H]1c1cccs1 ZINC000103726115 557440672 /nfs/dbraw/zinc/44/06/72/557440672.db2.gz KNWWWAXPHDBEDC-BNQXAQOUSA-N 0 0 440.609 4.616 50 0 IJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000104682986 557458006 /nfs/dbraw/zinc/45/80/06/557458006.db2.gz BZGCKIVKAUHLJM-NBGIEHNGSA-N 0 0 434.561 4.562 50 0 IJAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc(I)c2)cc1OCC ZINC000016448464 557474263 /nfs/dbraw/zinc/47/42/63/557474263.db2.gz HHIOJJVBPKGONT-CYBMUJFWSA-N 0 0 439.293 4.580 50 0 IJAARN C[C@H]1CCCN(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)C1 ZINC000105146265 557476424 /nfs/dbraw/zinc/47/64/24/557476424.db2.gz HFAHGUJXOVZMEE-OXJNMPFZSA-N 0 0 431.989 4.520 50 0 IJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000046913677 557513321 /nfs/dbraw/zinc/51/33/21/557513321.db2.gz LMDWBYJCNJGJCW-UHFFFAOYSA-N 0 0 436.313 4.683 50 0 IJAARN COc1ccc(/C=C/CN2CCOc3c(cc(-c4nc(C)cnc4C)cc3OC)C2)cc1 ZINC000012037796 557524226 /nfs/dbraw/zinc/52/42/26/557524226.db2.gz AESBTPAEHCQPNX-AATRIKPKSA-N 0 0 431.536 4.685 50 0 IJAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCN(Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000025183454 557529147 /nfs/dbraw/zinc/52/91/47/557529147.db2.gz AJVZIVMLCWYTSE-JOCHJYFZSA-N 0 0 436.983 4.532 50 0 IJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000106866097 557532702 /nfs/dbraw/zinc/53/27/02/557532702.db2.gz LQAVQFOHVRVYFG-UAGQMJEPSA-N 0 0 449.414 4.814 50 0 IJAARN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](c2ccccc2C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000107352362 557535461 /nfs/dbraw/zinc/53/54/61/557535461.db2.gz WQRRTBKGNADZIP-NKNQFRNOSA-N 0 0 435.568 4.884 50 0 IJAARN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000044837312 557538866 /nfs/dbraw/zinc/53/88/66/557538866.db2.gz JWWMPZHYMOQSQQ-UHFFFAOYSA-N 0 0 430.302 4.889 50 0 IJAARN CC(C)OC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000045901482 557546689 /nfs/dbraw/zinc/54/66/89/557546689.db2.gz WMPSADDTFGLLEG-UHFFFAOYSA-N 0 0 444.457 4.540 50 0 IJAARN Cc1cc2nc(COc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc(=O)n2o1 ZINC000045900797 557546810 /nfs/dbraw/zinc/54/68/10/557546810.db2.gz VFYXCTOAWHBFAI-UHFFFAOYSA-N 0 0 444.274 4.734 50 0 IJAARN CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)NCc4ccco4)CC3)nn2)cc1 ZINC000045921739 557547602 /nfs/dbraw/zinc/54/76/02/557547602.db2.gz ADDNRIAIBKCKSZ-UHFFFAOYSA-N 0 0 436.581 4.877 50 0 IJAARN COc1cccc(CC(=O)Nc2cc3c(cc2Sc2ccc(C)cc2)n(C)c(=O)n3C)c1 ZINC000045940989 557549598 /nfs/dbraw/zinc/54/95/98/557549598.db2.gz XMCFEAUESDSXQS-UHFFFAOYSA-N 0 0 447.560 4.526 50 0 IJAARN CCc1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(C(C)C)cc3)nn21 ZINC000045925619 557550138 /nfs/dbraw/zinc/55/01/38/557550138.db2.gz ODOSWMBVJYHNSH-UHFFFAOYSA-N 0 0 447.564 4.501 50 0 IJAARN O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccc(Br)cc2)c1 ZINC000045941271 557550536 /nfs/dbraw/zinc/55/05/36/557550536.db2.gz HOLAOQXWLLDKCZ-UHFFFAOYSA-N 0 0 439.082 4.789 50 0 IJAARN COc1cc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc(OC)c1OC ZINC000045943347 557552389 /nfs/dbraw/zinc/55/23/89/557552389.db2.gz NQGRHZYFOSKRIR-UHFFFAOYSA-N 0 0 428.510 4.715 50 0 IJAARN O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000045961947 557556972 /nfs/dbraw/zinc/55/69/72/557556972.db2.gz VDLWOLXVEHOHRJ-UHFFFAOYSA-N 0 0 440.908 4.859 50 0 IJAARN CCOc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1 ZINC000606422257 557635912 /nfs/dbraw/zinc/63/59/12/557635912.db2.gz HVDJPSDUWVYLFQ-KKUQBAQOSA-N 0 0 436.596 4.502 50 0 IJAARN S=C(NCCc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225509059 557732185 /nfs/dbraw/zinc/73/21/85/557732185.db2.gz CPUAZSLAEBQAAE-JOCHJYFZSA-N 0 0 443.601 4.960 50 0 IJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccc(F)cc2)n1 ZINC000040488353 557749587 /nfs/dbraw/zinc/74/95/87/557749587.db2.gz VZMMOZXCZWOXHN-UHFFFAOYSA-N 0 0 433.439 4.781 50 0 IJAARN Brc1cnc(Br)c(N2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000225821299 557781144 /nfs/dbraw/zinc/78/11/44/557781144.db2.gz CBUZJNVJNJWMRG-CQSZACIVSA-N 0 0 426.152 4.650 50 0 IJAARN Cc1ccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000226826085 557809465 /nfs/dbraw/zinc/80/94/65/557809465.db2.gz PRWRJGNDJHHWEO-ICDZXHCJSA-N 0 0 426.516 4.971 50 0 IJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000845579 557828919 /nfs/dbraw/zinc/82/89/19/557828919.db2.gz VNPYXYHIPLNFOV-GOSISDBHSA-N 0 0 436.364 4.824 50 0 IJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)nc(=O)c2c1C ZINC000229572792 557832732 /nfs/dbraw/zinc/83/27/32/557832732.db2.gz SVDPRXPJSIPVGF-OBJOEFQTSA-N 0 0 430.549 4.527 50 0 IJAARN O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000013776406 557836636 /nfs/dbraw/zinc/83/66/36/557836636.db2.gz WVXMZNBDZCJBFX-CTUHWIOQSA-N 0 0 427.928 4.620 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2C)o1 ZINC000000869048 557840187 /nfs/dbraw/zinc/84/01/87/557840187.db2.gz BIRCUWDNCGKSLO-UHFFFAOYSA-N 0 0 431.539 4.631 50 0 IJAARN CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)cc1 ZINC000003022258 557841656 /nfs/dbraw/zinc/84/16/56/557841656.db2.gz NVQUGJJCXPPGGW-WHSLLNHNSA-N 0 0 432.561 4.743 50 0 IJAARN Cc1ccccc1[C@@H](C)c1noc(C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 ZINC000238900507 557841951 /nfs/dbraw/zinc/84/19/51/557841951.db2.gz JAKHOIQZHZPZFC-QGZVFWFLSA-N 0 0 443.544 4.546 50 0 IJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239231210 557843309 /nfs/dbraw/zinc/84/33/09/557843309.db2.gz VDGHBABJLAMNGG-UMQWNRPGSA-N 0 0 444.575 4.683 50 0 IJAARN Cc1ccc2nc(C)c(C(=O)N3CCC(O)(c4ccccc4C(F)(F)F)CC3)cc2c1 ZINC000241657661 557846839 /nfs/dbraw/zinc/84/68/39/557846839.db2.gz PYFJIONPEGUMMD-UHFFFAOYSA-N 0 0 428.454 4.994 50 0 IJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)c1 ZINC000018706113 557855198 /nfs/dbraw/zinc/85/51/98/557855198.db2.gz NACIWEACYDIXNA-UHFFFAOYSA-N 0 0 449.916 4.511 50 0 IJAARN CCCCNC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000002303114 562926856 /nfs/dbraw/zinc/92/68/56/562926856.db2.gz HZZREXLZFNGHKO-UHFFFAOYSA-N 0 0 441.251 4.708 50 0 IJAARN COc1cc(OC)c(N(C)C(=O)c2cc3c(s2)c2ccccc2oc3=O)cc1Cl ZINC000002456008 562927850 /nfs/dbraw/zinc/92/78/50/562927850.db2.gz TWAVQFLLQPGHGV-UHFFFAOYSA-N 0 0 429.881 4.955 50 0 IJAARN COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000002635627 562928882 /nfs/dbraw/zinc/92/88/82/562928882.db2.gz SWKIYZAPUUPZHV-JOCHJYFZSA-N 0 0 448.494 4.659 50 0 IJAARN Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)no2)cc1 ZINC000002910781 562930470 /nfs/dbraw/zinc/93/04/70/562930470.db2.gz MURNWSPPAVNIDC-LJQANCHMSA-N 0 0 439.581 4.911 50 0 IJAARN Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)no2)cc1 ZINC000002910788 562930579 /nfs/dbraw/zinc/93/05/79/562930579.db2.gz JMLBHVOAZBTYFV-UHFFFAOYSA-N 0 0 439.581 4.911 50 0 aggregator IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F ZINC000003024967 562931828 /nfs/dbraw/zinc/93/18/28/562931828.db2.gz CMHXBUMAJKLLTK-UHFFFAOYSA-N 0 0 444.450 4.708 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cccc2ccccc21 ZINC000003282261 562933701 /nfs/dbraw/zinc/93/37/01/562933701.db2.gz LTDFJEMHDCFGGD-UHFFFAOYSA-N 0 0 433.895 4.842 50 0 IJAARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003586246 562936636 /nfs/dbraw/zinc/93/66/36/562936636.db2.gz VCIFURUNJCIGAX-UHFFFAOYSA-N 0 0 432.145 4.835 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2C)cc1 ZINC000003657918 562937547 /nfs/dbraw/zinc/93/75/47/562937547.db2.gz HTTLFEZENOANPZ-BJKOFHAPSA-N 0 0 430.504 4.561 50 0 IJAARN COc1ccc([C@H]2SCC(=O)N2c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000004165405 562942484 /nfs/dbraw/zinc/94/24/84/562942484.db2.gz JBYLQVKRGDJTQH-SJAGGWKPSA-N 0 0 427.595 4.793 50 0 aggregator IJAARN O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1 ZINC000006577804 562947883 /nfs/dbraw/zinc/94/78/83/562947883.db2.gz ZJJNUJOOFJRUAR-UHFFFAOYSA-N 0 0 448.346 4.588 50 0 aggregator IJAARN CCCN(c1ccccc1CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866845 562948468 /nfs/dbraw/zinc/94/84/68/562948468.db2.gz ZXSVIVDBLRCPSD-KRWDZBQOSA-N 0 0 426.582 4.542 50 0 IJAARN Cc1c(C(=O)Nc2ccccc2C)sc2nc3n(c(=O)c12)N=C(c1ccccc1)CS3 ZINC000008587870 562950515 /nfs/dbraw/zinc/95/05/15/562950515.db2.gz JWWKXWIAFKAWCW-UHFFFAOYSA-N 0 0 446.557 4.685 50 0 IJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(Cc3ccco3)C2=O)c1 ZINC000008591958 562952206 /nfs/dbraw/zinc/95/22/06/562952206.db2.gz KNIXHKOINJVJFE-HXUWFJFHSA-N 0 0 437.883 4.608 50 0 IJAARN COc1cccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000008592583 562952359 /nfs/dbraw/zinc/95/23/59/562952359.db2.gz XHMMFHHRXHSYIS-UHFFFAOYSA-N 0 0 446.503 4.872 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2cccs2)cc1 ZINC000008595476 562953438 /nfs/dbraw/zinc/95/34/38/562953438.db2.gz XLWILNLCQPTLBL-UHFFFAOYSA-N 0 0 434.970 4.852 50 0 IJAARN CCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000008596531 562953856 /nfs/dbraw/zinc/95/38/56/562953856.db2.gz BJNCZBFZPNIYMH-UHFFFAOYSA-N 0 0 448.947 4.637 50 0 IJAARN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2nsc3ccccc32)cc1 ZINC000008600170 562954969 /nfs/dbraw/zinc/95/49/69/562954969.db2.gz WEYOPICKCLDWSA-UHFFFAOYSA-N 0 0 431.517 4.877 50 0 IJAARN Cc1ccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3COc4ccccc4O3)nc2c1C ZINC000008601589 562955496 /nfs/dbraw/zinc/95/54/96/562955496.db2.gz UHLAWDIHVHZISU-FQEVSTJZSA-N 0 0 431.517 4.681 50 0 IJAARN Cc1csc2nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n12 ZINC000008603716 562956051 /nfs/dbraw/zinc/95/60/51/562956051.db2.gz DVDJIELQUIVMRD-UHFFFAOYSA-N 0 0 425.897 4.549 50 0 IJAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(CCc2ccccc2)c1=O ZINC000008603821 562956111 /nfs/dbraw/zinc/95/61/11/562956111.db2.gz YTHZCGGBDLQCAO-UHFFFAOYSA-N 0 0 426.541 4.977 50 0 IJAARN O=C(Nc1cccc(OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1)c1ccc(F)cc1 ZINC000008603834 562956132 /nfs/dbraw/zinc/95/61/32/562956132.db2.gz CFVVDGISBPREPI-UHFFFAOYSA-N 0 0 449.507 4.605 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccco1 ZINC000008604926 562956497 /nfs/dbraw/zinc/95/64/97/562956497.db2.gz NQCGDAKHNZHKBA-UHFFFAOYSA-N 0 0 445.500 4.823 50 0 IJAARN CCN(CC)c1ccc(NC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c(C)c1 ZINC000008605771 562956847 /nfs/dbraw/zinc/95/68/47/562956847.db2.gz ZNOSTKMTTIHINM-UHFFFAOYSA-N 0 0 446.576 4.986 50 0 IJAARN COc1ccc([C@H]2c3c([nH]nc3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008606633 562957076 /nfs/dbraw/zinc/95/70/76/562957076.db2.gz DPXOUDJQNZBQJH-DEOSSOPVSA-N 0 0 429.476 4.746 50 0 aggregator IJAARN Cc1ccc(F)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000008609132 562957629 /nfs/dbraw/zinc/95/76/29/562957629.db2.gz WSYNJFLWYLKFDN-UHFFFAOYSA-N 0 0 439.849 4.942 50 0 IJAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008654557 562960191 /nfs/dbraw/zinc/96/01/91/562960191.db2.gz FCTUUTCEDROHFP-UHFFFAOYSA-N 0 0 442.484 4.763 50 0 IJAARN Cc1cccc(OCc2nnc(SCc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)o2)c1 ZINC000008673096 562961141 /nfs/dbraw/zinc/96/11/41/562961141.db2.gz HHQUFEDNFBTNMJ-UHFFFAOYSA-N 0 0 448.426 4.505 50 0 IJAARN COc1ccc(C)cc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000008860223 562965370 /nfs/dbraw/zinc/96/53/70/562965370.db2.gz CBOQGTPHGDFERW-UHFFFAOYSA-N 0 0 444.491 4.543 50 0 IJAARN O=C(CN(Cc1ccco1)C(=O)c1ccc(F)cc1F)Nc1ccccc1C(F)(F)F ZINC000009461756 562971483 /nfs/dbraw/zinc/97/14/83/562971483.db2.gz YBHKVDIEOWWECZ-UHFFFAOYSA-N 0 0 438.352 4.858 50 0 IJAARN FC(F)Oc1ccccc1[C@H]1C[C@H](c2ccc(Br)s2)Nc2ncnn21 ZINC000013123488 562984707 /nfs/dbraw/zinc/98/47/07/562984707.db2.gz QZZMMQOWOHYVHE-GHMZBOCLSA-N 0 0 427.274 4.850 50 0 IJAARN CCc1ccc([C@@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440998 563024992 /nfs/dbraw/zinc/02/49/92/563024992.db2.gz XPSIKVKQGXEMJM-XTEPFMGCSA-N 0 0 431.576 4.610 50 0 IJAARN NC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000019042894 568634582 /nfs/dbraw/zinc/63/45/82/568634582.db2.gz FAYNDEUZVVYIQO-LJQANCHMSA-N 0 0 438.936 4.698 50 0 IJAARN CCOC(=O)c1c(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000000911162 568636617 /nfs/dbraw/zinc/63/66/17/568636617.db2.gz WJVOIILPPLAFHJ-MRXNPFEDSA-N 0 0 441.808 4.684 50 0 IJAARN Cc1ccc(NCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1Cl ZINC000000917271 568636784 /nfs/dbraw/zinc/63/67/84/568636784.db2.gz NTPHFMVWYBDDGY-UHFFFAOYSA-N 0 0 429.977 4.737 50 0 IJAARN COc1ccc(NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 ZINC000000925134 568637728 /nfs/dbraw/zinc/63/77/28/568637728.db2.gz RCXFXNHJUXXMES-UHFFFAOYSA-N 0 0 439.324 4.728 50 0 IJAARN O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000000938202 568639288 /nfs/dbraw/zinc/63/92/88/568639288.db2.gz MXSKOPOJCZHTFG-UHFFFAOYSA-N 0 0 426.097 4.534 50 0 IJAARN COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000000938532 568639445 /nfs/dbraw/zinc/63/94/45/568639445.db2.gz ZKRXPRUZIDTKLQ-UHFFFAOYSA-N 0 0 448.862 4.701 50 0 IJAARN COc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3F)nc3ccccc32)CC1 ZINC000025142280 568639881 /nfs/dbraw/zinc/63/98/81/568639881.db2.gz XIYIPQQSCUBORQ-UHFFFAOYSA-N 0 0 432.474 4.910 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000943249 568641743 /nfs/dbraw/zinc/64/17/43/568641743.db2.gz NVIDCDOUPCEVNA-HXUWFJFHSA-N 0 0 438.405 4.551 50 0 IJAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056915 568642128 /nfs/dbraw/zinc/64/21/28/568642128.db2.gz GHJVLAIPHMHWLN-GOSISDBHSA-N 0 0 435.549 4.715 50 0 IJAARN Cc1nc2c(cnn2-c2ccccc2)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000000944696 568643006 /nfs/dbraw/zinc/64/30/06/568643006.db2.gz HCILVXIPYOPWDQ-UHFFFAOYSA-N 0 0 443.454 4.874 50 0 IJAARN CCOC(=O)[C@@H](CC)n1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O ZINC000000958882 568646175 /nfs/dbraw/zinc/64/61/75/568646175.db2.gz NBMSYGMSSGZLBU-CQSZACIVSA-N 0 0 435.343 4.710 50 0 IJAARN Cc1ccc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000000960016 568646532 /nfs/dbraw/zinc/64/65/32/568646532.db2.gz VOLYWJWLXURTQW-UHFFFAOYSA-N 0 0 445.906 4.679 50 0 IJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c12 ZINC000025176565 568646791 /nfs/dbraw/zinc/64/67/91/568646791.db2.gz UCWIYTPQRIIHQZ-UHFFFAOYSA-N 0 0 427.439 4.834 50 0 IJAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 ZINC000000995929 568649384 /nfs/dbraw/zinc/64/93/84/568649384.db2.gz XKIBNVOQOBCLTN-UHFFFAOYSA-N 0 0 445.386 4.704 50 0 IJAARN Cc1ccnc(NC(=O)c2cc3nc(-c4ccc(C)c(C)c4)cc(C(F)(F)F)n3n2)c1 ZINC000001009219 568651275 /nfs/dbraw/zinc/65/12/75/568651275.db2.gz VEABXHYVLYJZPL-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1cccc(Br)c1 ZINC000001026440 568653192 /nfs/dbraw/zinc/65/31/92/568653192.db2.gz RXPPKZWEALQUEU-UHFFFAOYSA-N 0 0 425.311 4.955 50 0 IJAARN COc1cccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1OC ZINC000001026398 568653233 /nfs/dbraw/zinc/65/32/33/568653233.db2.gz XHOBFRMCJCPOKT-UHFFFAOYSA-N 0 0 425.535 4.554 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCC2 ZINC000001171411 568735554 /nfs/dbraw/zinc/73/55/54/568735554.db2.gz JUFRIKGLWYKAHN-UHFFFAOYSA-N 0 0 446.594 4.718 50 0 IJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000001174133 568735722 /nfs/dbraw/zinc/73/57/22/568735722.db2.gz CEUVXZCGAPCPOV-OAHLLOKOSA-N 0 0 447.874 4.877 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC(C(F)(F)F)CC3)cc2Cl)C1 ZINC000263639938 568737434 /nfs/dbraw/zinc/73/74/34/568737434.db2.gz PEDGYSVNGLWGJP-AWEZNQCLSA-N 0 0 446.897 4.534 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1OC ZINC000025618183 568740073 /nfs/dbraw/zinc/74/00/73/568740073.db2.gz VBWCLYQKMMBUMX-SFHVURJKSA-N 0 0 442.462 4.933 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000002082377 568742567 /nfs/dbraw/zinc/74/25/67/568742567.db2.gz SYPVEOZFXDIRHN-PKNBQFBNSA-N 0 0 427.522 4.964 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)c1 ZINC000003246178 568743689 /nfs/dbraw/zinc/74/36/89/568743689.db2.gz NOFSWYCCUCJGBA-UHFFFAOYSA-N 0 0 427.595 4.957 50 0 IJAARN Cc1ccc(C(=O)[C@H]2Sc3nnc(C(F)(F)F)n3N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000003258154 568744021 /nfs/dbraw/zinc/74/40/21/568744021.db2.gz SRKWPRWSDGVEGZ-ZBFHGGJFSA-N 0 0 438.862 4.901 50 0 IJAARN O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003269203 568744680 /nfs/dbraw/zinc/74/46/80/568744680.db2.gz BANIWMIFKMBKKI-UHFFFAOYSA-N 0 0 441.620 4.785 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1Br ZINC000003290535 568745333 /nfs/dbraw/zinc/74/53/33/568745333.db2.gz HJKKKXCNAKOGEC-UHFFFAOYSA-N 0 0 429.236 4.557 50 0 IJAARN Cc1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)n1C[C@H]1CCCO1 ZINC000003297038 568745353 /nfs/dbraw/zinc/74/53/53/568745353.db2.gz RWHSTYFHMUNCFV-OAHLLOKOSA-N 0 0 434.323 4.796 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3cccc(C)c3C)s2)cc1 ZINC000003316473 568745879 /nfs/dbraw/zinc/74/58/79/568745879.db2.gz ZXQFFDUCBBBMLG-CQSZACIVSA-N 0 0 441.582 4.976 50 0 IJAARN COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(C)cc2)cc1 ZINC000044086485 568748004 /nfs/dbraw/zinc/74/80/04/568748004.db2.gz CLDSJHICLUFUIF-UHFFFAOYSA-N 0 0 434.521 4.884 50 0 IJAARN Cc1cc(Br)c(NC(=O)CN2c3ccccc3C[C@H]2C)c(Br)c1 ZINC000003385540 568748288 /nfs/dbraw/zinc/74/82/88/568748288.db2.gz KSVPMPWRVQTAMX-GFCCVEGCSA-N 0 0 438.163 4.910 50 0 IJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1C ZINC000044168620 568749152 /nfs/dbraw/zinc/74/91/52/568749152.db2.gz MRRRCLIKIAFPOB-HNNXBMFYSA-N 0 0 433.487 4.537 50 0 IJAARN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000003597989 568751426 /nfs/dbraw/zinc/75/14/26/568751426.db2.gz MPDUMAHIRSOFLL-UHFFFAOYSA-N 0 0 440.952 4.961 50 0 IJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1Cl ZINC000003626685 568751981 /nfs/dbraw/zinc/75/19/81/568751981.db2.gz UHAYLHHTWCQXHX-HAHDFKILSA-N 0 0 447.922 4.853 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000015279988 568754800 /nfs/dbraw/zinc/75/48/00/568754800.db2.gz LVWDYGUGGRQWSO-OAHLLOKOSA-N 0 0 446.931 4.679 50 0 IJAARN O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 ZINC000025667381 568774524 /nfs/dbraw/zinc/77/45/24/568774524.db2.gz ZYOQYFMWGXSLNU-UHFFFAOYSA-N 0 0 444.537 4.726 50 0 IJAARN O=C(CCCNC(=O)c1ccc(F)cc1F)N(CCc1ccccc1)Cc1cccs1 ZINC000025669504 568774648 /nfs/dbraw/zinc/77/46/48/568774648.db2.gz FHVMSPXWRMCAAM-UHFFFAOYSA-N 0 0 442.531 4.808 50 0 IJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c(OC)c1 ZINC000263615105 568775791 /nfs/dbraw/zinc/77/57/91/568775791.db2.gz AOWKTIPMVCSUSK-FQEVSTJZSA-N 0 0 438.871 4.542 50 0 IJAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1OCC ZINC000263617607 568777324 /nfs/dbraw/zinc/77/73/24/568777324.db2.gz ORQXKZPNGRMBDB-SFHVURJKSA-N 0 0 425.460 4.650 50 0 IJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1OC ZINC000263619215 568777820 /nfs/dbraw/zinc/77/78/20/568777820.db2.gz XMMNUSVFLFILQY-HXUWFJFHSA-N 0 0 438.871 4.542 50 0 IJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Br)c5)no4)c3CO2)cc1 ZINC000263619365 568778008 /nfs/dbraw/zinc/77/80/08/568778008.db2.gz YJPSNYUMMDLVQC-QGZVFWFLSA-N 0 0 441.260 4.773 50 0 IJAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC(C)C)cc5)no4)cc3CO2)cc1 ZINC000263618370 568778197 /nfs/dbraw/zinc/77/81/97/568778197.db2.gz SPXWWACPQOHROS-QFIPXVFZSA-N 0 0 432.480 4.667 50 0 IJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1O ZINC000001320630 568779903 /nfs/dbraw/zinc/77/99/03/568779903.db2.gz KLCQCQHUHBDTSJ-QHCPKHFHSA-N 0 0 442.298 4.706 50 0 IJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032103518 568780788 /nfs/dbraw/zinc/78/07/88/568780788.db2.gz AVKNZKQCCWOCIG-DEOSSOPVSA-N 0 0 443.532 4.762 50 0 IJAARN Cc1cccn2c1nc(-c1ccc(N3CCOCC3)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004126259 568780896 /nfs/dbraw/zinc/78/08/96/568780896.db2.gz NNLCHBKPNRSDGL-UHFFFAOYSA-N 0 0 442.519 4.661 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000001383577 568784108 /nfs/dbraw/zinc/78/41/08/568784108.db2.gz KPOKUFQBYAJMTN-UHFFFAOYSA-N 0 0 449.359 4.505 50 0 IJAARN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000001383563 568784114 /nfs/dbraw/zinc/78/41/14/568784114.db2.gz OJFOGCLSKAVWTD-UHFFFAOYSA-N 0 0 435.332 4.827 50 0 IJAARN CC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n(Cc2ccc(Cl)cc2)c1C ZINC000001382273 568784124 /nfs/dbraw/zinc/78/41/24/568784124.db2.gz RJVUVXKJGKVZIT-UHFFFAOYSA-N 0 0 429.303 4.967 50 0 IJAARN Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1C ZINC000002751276 568789142 /nfs/dbraw/zinc/78/91/42/568789142.db2.gz XDZOESCLANRZKN-DEOSSOPVSA-N 0 0 435.907 4.854 50 0 IJAARN Cc1nc2ccccc2nc1COC(=O)COc1ccc2ccccc2c1Br ZINC000084057577 568790579 /nfs/dbraw/zinc/79/05/79/568790579.db2.gz ZKOQLGVDBYDCDN-UHFFFAOYSA-N 0 0 437.293 4.976 50 0 IJAARN COC(=O)c1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001420971 568792988 /nfs/dbraw/zinc/79/29/88/568792988.db2.gz AUDKSZMCXFYEIG-FGZHOGPDSA-N 0 0 439.870 4.797 50 0 IJAARN CN(C(=O)c1cc2cc(Br)cc(Br)c2oc1=O)C1CCCCC1 ZINC000001430423 568794685 /nfs/dbraw/zinc/79/46/85/568794685.db2.gz WZOACXZLNQNPMB-UHFFFAOYSA-N 0 0 443.135 4.723 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccc2c(c1)CCC2 ZINC000084372710 568797531 /nfs/dbraw/zinc/79/75/31/568797531.db2.gz GIXVZFWIMWBQAD-OAQYLSRUSA-N 0 0 447.510 4.734 50 0 IJAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)C1=NO[C@H](c2ccccc2)C1 ZINC000084525331 568798409 /nfs/dbraw/zinc/79/84/09/568798409.db2.gz ZPNDXSOHWIKOKE-FQEVSTJZSA-N 0 0 442.302 4.660 50 0 IJAARN COc1cccc(C(=O)N2CC(C)CN(C(=O)c3cccc(OC)c3)c3ccccc32)c1 ZINC000084715217 568800163 /nfs/dbraw/zinc/80/01/63/568800163.db2.gz DXRJRZFIXHONFE-UHFFFAOYSA-N 0 0 430.504 4.647 50 0 IJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1Cc1cccs1 ZINC000015675531 568803885 /nfs/dbraw/zinc/80/38/85/568803885.db2.gz AAFSECPVWJYMRH-XMMPIXPASA-N 0 0 439.581 4.940 50 0 IJAARN O=C(NCc1ccccc1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000001437147 568804314 /nfs/dbraw/zinc/80/43/14/568804314.db2.gz VPVRSUBOBBQEHA-UHFFFAOYSA-N 0 0 430.817 4.999 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2C)cc1 ZINC000001438523 568804588 /nfs/dbraw/zinc/80/45/88/568804588.db2.gz LLLGRBADNMOTAB-UHFFFAOYSA-N 0 0 430.533 4.982 50 0 IJAARN Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2-n2cccc2)cc1 ZINC000015681345 568806408 /nfs/dbraw/zinc/80/64/08/568806408.db2.gz MOIPSWIVOUDBLX-UHFFFAOYSA-N 0 0 445.954 4.587 50 0 IJAARN Cc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015727911 568813144 /nfs/dbraw/zinc/81/31/44/568813144.db2.gz COHVIKZKIXAASZ-UHFFFAOYSA-N 0 0 439.515 4.956 50 0 IJAARN CCc1nn2c(nc(CSc3ccccc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000015731967 568815116 /nfs/dbraw/zinc/81/51/16/568815116.db2.gz DLPGDXJDCXXOKX-UHFFFAOYSA-N 0 0 436.562 4.566 50 0 IJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1Cl ZINC000015734822 568816413 /nfs/dbraw/zinc/81/64/13/568816413.db2.gz ZAXZFFDFAFIPBW-UHFFFAOYSA-N 0 0 428.945 4.722 50 0 IJAARN COc1ccc(CNc2onc(C)c2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000085391973 568816703 /nfs/dbraw/zinc/81/67/03/568816703.db2.gz UOWLWBSGJVXGSA-UHFFFAOYSA-N 0 0 435.402 4.883 50 0 IJAARN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCN(C)CC2)cc1 ZINC000001448834 568817451 /nfs/dbraw/zinc/81/74/51/568817451.db2.gz AOLKQLDKORQQFW-QFIPXVFZSA-N 0 0 439.581 4.556 50 0 IJAARN CSc1nc(C)cc(O[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)n1 ZINC000001447762 568817667 /nfs/dbraw/zinc/81/76/67/568817667.db2.gz WCYGKEHKNXMRTJ-CYBMUJFWSA-N 0 0 441.167 4.665 50 0 IJAARN COc1c2c(cc([C@H]3SC(C)=Nc4c3c(=O)[nH]n4C3CCCCCC3)c1OC)OCO2 ZINC000085411894 568818014 /nfs/dbraw/zinc/81/80/14/568818014.db2.gz UORPMEJPVYECHZ-HXUWFJFHSA-N 0 0 445.541 4.704 50 0 IJAARN Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)c1 ZINC000085568847 568825292 /nfs/dbraw/zinc/82/52/92/568825292.db2.gz UKSUAUWBEBNQLE-UHFFFAOYSA-N 0 0 428.941 4.574 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000085649559 568831063 /nfs/dbraw/zinc/83/10/63/568831063.db2.gz ANNOBHSTIBXGED-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@H](C)Cc4ccco4)ccc3[nH]2)cc1 ZINC000085653741 568832217 /nfs/dbraw/zinc/83/22/17/568832217.db2.gz SHEGRWCGAHNUGB-QGZVFWFLSA-N 0 0 444.535 4.651 50 0 IJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)N[C@@H](C)Cc4ccco4)ccc3[nH]2)cc1 ZINC000085653738 568832260 /nfs/dbraw/zinc/83/22/60/568832260.db2.gz SHEGRWCGAHNUGB-KRWDZBQOSA-N 0 0 444.535 4.651 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2cccc(N(C)C)c2)C2CCCCC2)c1C ZINC000085711314 568835017 /nfs/dbraw/zinc/83/50/17/568835017.db2.gz GBLXGINBTZXRRW-UHFFFAOYSA-N 0 0 425.573 4.849 50 0 IJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1Br)CC(=O)N2 ZINC000001509734 568836174 /nfs/dbraw/zinc/83/61/74/568836174.db2.gz YUGMBFINTBFQPC-QFIPXVFZSA-N 0 0 435.321 4.941 50 0 IJAARN COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CSc2cc(C)ccc2C)cc(=O)c1O ZINC000085879000 568838971 /nfs/dbraw/zinc/83/89/71/568838971.db2.gz UHJHLJMNANDWCS-IBGZPJMESA-N 0 0 440.517 4.655 50 0 biogenic IJAARN CCOc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 ZINC000015825948 568840784 /nfs/dbraw/zinc/84/07/84/568840784.db2.gz OLVCTQSXZDDUDQ-UHFFFAOYSA-N 0 0 434.540 4.707 50 0 IJAARN COc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc5ccc(=O)oc5c4)ccc3C(=O)O2)cc1 ZINC000015838292 568844186 /nfs/dbraw/zinc/84/41/86/568844186.db2.gz PXZZUVJGROSPTA-QFIPXVFZSA-N 0 0 441.439 4.508 50 0 IJAARN C[C@H](NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccc(-n2ccnc2)cc1 ZINC000006143764 568845797 /nfs/dbraw/zinc/84/57/97/568845797.db2.gz GTHNIOFPGVTREK-LBPRGKRZSA-N 0 0 428.275 4.777 50 0 IJAARN COc1ccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)cc1 ZINC000015860589 568847882 /nfs/dbraw/zinc/84/78/82/568847882.db2.gz PKJVAYKBABYHCG-UHFFFAOYSA-N 0 0 430.533 4.647 50 0 IJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000015861921 568848455 /nfs/dbraw/zinc/84/84/55/568848455.db2.gz PLJKAKLCCZOYGM-UHFFFAOYSA-N 0 0 441.516 4.996 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2C2CCCC2)[C@H]1C ZINC000248175879 568850633 /nfs/dbraw/zinc/85/06/33/568850633.db2.gz ZCGVSAORKMFJKO-NNIYEDBRSA-N 0 0 427.614 4.801 50 0 IJAARN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cccc(-n2cnnc2)n1 ZINC000015867169 568850707 /nfs/dbraw/zinc/85/07/07/568850707.db2.gz FRJNTANZTUVRTN-UHFFFAOYSA-N 0 0 432.443 4.876 50 0 IJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)nc3n2)cc1 ZINC000015868186 568850995 /nfs/dbraw/zinc/85/09/95/568850995.db2.gz WOYIBVZFFBUEEJ-UHFFFAOYSA-N 0 0 425.414 4.988 50 0 IJAARN O=C(Nc1cccc2ccccc21)C1CCN(Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000015867909 568851270 /nfs/dbraw/zinc/85/12/70/568851270.db2.gz YJNAYSBKTMEIGL-UHFFFAOYSA-N 0 0 430.483 4.880 50 0 IJAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)c2O1 ZINC000015881101 568855733 /nfs/dbraw/zinc/85/57/33/568855733.db2.gz NGNXLUBTYNGOGI-UHFFFAOYSA-N 0 0 442.559 4.942 50 0 IJAARN O=C(CSc1nnc2ccc(-c3cccs3)nn21)Nc1ccccc1C(F)(F)F ZINC000015881721 568856138 /nfs/dbraw/zinc/85/61/38/568856138.db2.gz GEDUQEMDQHJSBZ-UHFFFAOYSA-N 0 0 435.456 4.602 50 0 IJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3nc4c(cccc4F)s3)CC2)cc1 ZINC000015882416 568856576 /nfs/dbraw/zinc/85/65/76/568856576.db2.gz ICEDRDHMGSRXEB-UHFFFAOYSA-N 0 0 445.519 4.629 50 0 IJAARN Cc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1 ZINC000015882242 568856824 /nfs/dbraw/zinc/85/68/24/568856824.db2.gz MZEIBUGQJADQKJ-UHFFFAOYSA-N 0 0 447.482 4.743 50 0 IJAARN CCN(CCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 ZINC000015973804 568861164 /nfs/dbraw/zinc/86/11/64/568861164.db2.gz XXXQYGPIIKVQNV-UHFFFAOYSA-N 0 0 431.565 4.507 50 0 IJAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC000575443502 568869603 /nfs/dbraw/zinc/86/96/03/568869603.db2.gz ZPEUDWKSOGFZIW-OAQYLSRUSA-N 0 0 444.535 4.801 50 0 IJAARN COC(=O)c1nc(NC(=O)[C@H](CC(C)C)n2cccc2)sc1CCc1ccccc1 ZINC000575444524 568869997 /nfs/dbraw/zinc/86/99/97/568869997.db2.gz SFQCVVVHRRCTIF-SFHVURJKSA-N 0 0 425.554 4.742 50 0 IJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2ccccc2)CC1 ZINC000026463787 568877793 /nfs/dbraw/zinc/87/77/93/568877793.db2.gz UJICZGDUDXNDFW-OAHLLOKOSA-N 0 0 425.882 4.504 50 0 IJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)n[nH]2)c1 ZINC000575619287 568882816 /nfs/dbraw/zinc/88/28/16/568882816.db2.gz JJOKOPMWKZQRAK-UHFFFAOYSA-N 0 0 443.507 4.546 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)NCCc1csc(-c2cccc(F)c2)n1 ZINC000009569536 568883972 /nfs/dbraw/zinc/88/39/72/568883972.db2.gz RAGSDOIXVLIYTG-UHFFFAOYSA-N 0 0 425.312 4.994 50 0 IJAARN Ic1ccc2c(/C=C/c3ccccn3)nn([C@@H]3CCCCO3)c2c1 ZINC000069593877 568884398 /nfs/dbraw/zinc/88/43/98/568884398.db2.gz QXJFRDDGGSSQDX-RQMBKDMJSA-N 0 0 431.277 4.905 50 0 IJAARN CCOc1cc(C(=O)NCCCn2ccnc2-c2ccccc2)cc(OCC)c1OCC ZINC000090583324 568888255 /nfs/dbraw/zinc/88/82/55/568888255.db2.gz ZCFAKOBQWWINJV-UHFFFAOYSA-N 0 0 437.540 4.566 50 0 IJAARN COc1cc(/C=C/C(=O)NCc2sc(-c3cccs3)nc2C)cc(OC)c1OC ZINC000090592666 568888723 /nfs/dbraw/zinc/88/87/23/568888723.db2.gz WIRXQXGODOQNCU-BQYQJAHWSA-N 0 0 430.551 4.535 50 0 IJAARN COc1ccc(Br)c(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 ZINC000090613652 568892440 /nfs/dbraw/zinc/89/24/40/568892440.db2.gz VKYSQTOPNIGJBA-QGZVFWFLSA-N 0 0 438.368 4.592 50 0 IJAARN O=C(Nc1cccc(I)c1)c1cccc(OCc2cscn2)c1 ZINC000012980718 568893668 /nfs/dbraw/zinc/89/36/68/568893668.db2.gz MZGBFYNWQSLPCM-UHFFFAOYSA-N 0 0 436.274 4.579 50 0 IJAARN Cc1cc(C)cc(-n2c(SCC(=O)N(C)Cc3ccsc3)nc3ccccc3c2=O)c1 ZINC000012996867 568896978 /nfs/dbraw/zinc/89/69/78/568896978.db2.gz ISPFWXPFPVNCOR-UHFFFAOYSA-N 0 0 449.601 4.815 50 0 IJAARN COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000013004032 568898791 /nfs/dbraw/zinc/89/87/91/568898791.db2.gz BPBPMJYDIQUQPV-UHFFFAOYSA-N 0 0 448.903 4.565 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3)C2=O)cc1 ZINC000103005159 568900896 /nfs/dbraw/zinc/90/08/96/568900896.db2.gz NHTVJLDJENBZRL-XQNSMLJCSA-N 0 0 426.472 4.812 50 0 IJAARN CC(C)Oc1ccc(-c2csc3ncn(CC(=O)OC4CCCCC4)c(=O)c23)cc1 ZINC000001784768 568907523 /nfs/dbraw/zinc/90/75/23/568907523.db2.gz AHMISYXAGPWWOS-UHFFFAOYSA-N 0 0 426.538 4.788 50 0 IJAARN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1 ZINC000035709846 568907627 /nfs/dbraw/zinc/90/76/27/568907627.db2.gz BVXHGMXYISXLOT-UHFFFAOYSA-N 0 0 432.446 4.842 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000239432955 568911509 /nfs/dbraw/zinc/91/15/09/568911509.db2.gz WZGPSKSACMITHU-YPAWHYETSA-N 0 0 434.517 4.588 50 0 IJAARN C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000240203801 568911904 /nfs/dbraw/zinc/91/19/04/568911904.db2.gz JTNXADANTWLGDK-TTZMFTMZSA-N 0 0 430.475 4.631 50 0 IJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(I)c1 ZINC000001884869 568917385 /nfs/dbraw/zinc/91/73/85/568917385.db2.gz CKNGAQHSNXTIDG-AUWJEWJLSA-N 0 0 444.055 4.943 50 0 IJAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncnc3sc(C)c(C)c31)CCCC2 ZINC000001896127 568917754 /nfs/dbraw/zinc/91/77/54/568917754.db2.gz QVOMIPFILQZNPZ-UHFFFAOYSA-N 0 0 447.607 4.766 50 0 IJAARN CC(C)CN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1cccs1 ZINC000016497528 568919258 /nfs/dbraw/zinc/91/92/58/568919258.db2.gz WQXXLGBMDOGHTK-UHFFFAOYSA-N 0 0 447.553 4.953 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1sc2ncccc2c1N ZINC000064370091 568920052 /nfs/dbraw/zinc/92/00/52/568920052.db2.gz WFCMQNQATPRTBC-UHFFFAOYSA-N 0 0 438.582 4.505 50 0 IJAARN O=C(COC(=O)c1ccccc1Br)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001962728 568924039 /nfs/dbraw/zinc/92/40/39/568924039.db2.gz WTGUWXTUGVDHEY-UHFFFAOYSA-N 0 0 436.611 4.917 50 0 IJAARN COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCOCC2)cc1 ZINC000089438863 568924990 /nfs/dbraw/zinc/92/49/90/568924990.db2.gz SZGYFDJTWHUHJS-NRFANRHFSA-N 0 0 431.458 4.748 50 0 IJAARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)C3CCCC3)CC2)c1Cc1ccccc1 ZINC000035818165 568927541 /nfs/dbraw/zinc/92/75/41/568927541.db2.gz ZHHFXAOINKMHBT-UHFFFAOYSA-N 0 0 440.591 4.882 50 0 IJAARN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000089499575 568927785 /nfs/dbraw/zinc/92/77/85/568927785.db2.gz YJHRTTGQLCMMOE-XMMPIXPASA-N 0 0 438.531 4.590 50 0 IJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NCCCc2ccccc2)C1 ZINC000064452515 568929388 /nfs/dbraw/zinc/92/93/88/568929388.db2.gz QWHHABHDQYPSRP-JOCHJYFZSA-N 0 0 430.552 4.543 50 0 IJAARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)CC(C)(C)C ZINC000016650376 568929429 /nfs/dbraw/zinc/92/94/29/568929429.db2.gz LFPLZSYHEHLPLU-UHFFFAOYSA-N 0 0 442.600 4.808 50 0 IJAARN O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)C1S(=O)(=O)c1ccccc1 ZINC000064557974 568931874 /nfs/dbraw/zinc/93/18/74/568931874.db2.gz ORPQGDXNCPLLGQ-HXUWFJFHSA-N 0 0 439.920 4.667 50 0 IJAARN CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000064558280 568932017 /nfs/dbraw/zinc/93/20/17/568932017.db2.gz RCYSFKSYCKSAIW-HSZRJFAPSA-N 0 0 447.556 4.884 50 0 IJAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCCc3ccccc3)cc2)ncn1 ZINC000064568563 568933784 /nfs/dbraw/zinc/93/37/84/568933784.db2.gz SEIOIEVADZOHKN-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578571 568933921 /nfs/dbraw/zinc/93/39/21/568933921.db2.gz USXWREBKOYICLC-UHFFFAOYSA-N 0 0 425.444 4.595 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1 ZINC000064578332 568934139 /nfs/dbraw/zinc/93/41/39/568934139.db2.gz XNVSSONAKGMTLG-UHFFFAOYSA-N 0 0 425.444 4.595 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000064579562 568934322 /nfs/dbraw/zinc/93/43/22/568934322.db2.gz JWLGJLOADSOIAU-UHFFFAOYSA-N 0 0 442.475 4.688 50 0 IJAARN CCOP(=O)(OCC)c1nc(-c2cccc3ccccc32)oc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000027024515 568939225 /nfs/dbraw/zinc/93/92/25/568939225.db2.gz BQPKXVPAXXLYNN-CALCHBBNSA-N 0 0 444.468 5.000 50 0 IJAARN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NCc4ccc5c(c4)OCO5)c3)nc2)c1 ZINC000064605819 568939611 /nfs/dbraw/zinc/93/96/11/568939611.db2.gz ZQUXQHHJSUPMRX-UHFFFAOYSA-N 0 0 438.487 4.854 50 0 IJAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccccc2Cl)OC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000002052038 568940519 /nfs/dbraw/zinc/94/05/19/568940519.db2.gz DXGWQWYXSUCUDO-CPNJWEJPSA-N 0 0 448.818 4.812 50 0 IJAARN CC(C)(C)c1ccc(/C=C2/N=C(c3ccc(I)cc3)OC2=O)cc1 ZINC000002054837 568940917 /nfs/dbraw/zinc/94/09/17/568940917.db2.gz QPIQWDGIVNATFQ-SFQUDFHCSA-N 0 0 431.273 4.933 50 0 IJAARN CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064656733 568942187 /nfs/dbraw/zinc/94/21/87/568942187.db2.gz AJZJVQGJOBVEFX-GOSISDBHSA-N 0 0 427.547 4.762 50 0 IJAARN Cc1ccc(CN2C[C@@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000006637400 568942221 /nfs/dbraw/zinc/94/22/21/568942221.db2.gz CZGSKLUKEXOTAE-VWLOTQADSA-N 0 0 426.560 4.682 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2C)CC3)cc1 ZINC000064660261 568942485 /nfs/dbraw/zinc/94/24/85/568942485.db2.gz QYYDPQZDQVCTFQ-UHFFFAOYSA-N 0 0 448.997 4.918 50 0 IJAARN O=c1c2scc(-c3ccc(Br)cc3)c2ncn1CCOc1ccccc1 ZINC000064667791 568942909 /nfs/dbraw/zinc/94/29/09/568942909.db2.gz USDBEWIWIMCSCC-UHFFFAOYSA-N 0 0 427.323 4.967 50 0 IJAARN CN1c2cc(C(=O)NCc3ccc(Br)cc3)ccc2Oc2ccccc2C1=O ZINC000064677291 568944067 /nfs/dbraw/zinc/94/40/67/568944067.db2.gz FYGHLOULOAEOGR-UHFFFAOYSA-N 0 0 437.293 4.761 50 0 IJAARN CN(CC(=O)NC1CCCCC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704422 568944614 /nfs/dbraw/zinc/94/46/14/568944614.db2.gz QWGOJXFFWQOHRG-UHFFFAOYSA-N 0 0 440.617 4.553 50 0 IJAARN C[C@H](c1ccccc1)N(Cc1nc(C(=O)N2CCCC2)co1)Cc1ccc(F)cc1F ZINC000036073469 568945868 /nfs/dbraw/zinc/94/58/68/568945868.db2.gz AGUYFQXPJPFOQA-QGZVFWFLSA-N 0 0 425.479 4.952 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073428 568945886 /nfs/dbraw/zinc/94/58/86/568945886.db2.gz QVTYOGVBBXFECZ-URXFXBBRSA-N 0 0 447.579 4.964 50 0 IJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073429 568945895 /nfs/dbraw/zinc/94/58/95/568945895.db2.gz QVTYOGVBBXFECZ-XUZZJYLKSA-N 0 0 447.579 4.964 50 0 IJAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4nc(C)cc(C)c43)c2=O)c(Cl)c1 ZINC000064746876 568949553 /nfs/dbraw/zinc/94/95/53/568949553.db2.gz YGHBSBVPFJOYCN-UHFFFAOYSA-N 0 0 426.929 4.532 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000064747534 568950010 /nfs/dbraw/zinc/95/00/10/568950010.db2.gz GBNPFGXXTSCVNK-KRWDZBQOSA-N 0 0 428.876 4.776 50 0 IJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000064747535 568950045 /nfs/dbraw/zinc/95/00/45/568950045.db2.gz GBNPFGXXTSCVNK-QGZVFWFLSA-N 0 0 428.876 4.776 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1ccccc1Cl ZINC000064746919 568950196 /nfs/dbraw/zinc/95/01/96/568950196.db2.gz BFZYVVYHHPLSOL-UHFFFAOYSA-N 0 0 446.919 4.965 50 0 IJAARN Cc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1 ZINC000064746943 568950290 /nfs/dbraw/zinc/95/02/90/568950290.db2.gz WIGFZUHJKKWHAJ-UHFFFAOYSA-N 0 0 426.501 4.620 50 0 IJAARN COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000064747128 568950430 /nfs/dbraw/zinc/95/04/30/568950430.db2.gz QOYIAEBJBCVVIS-GOSISDBHSA-N 0 0 447.413 4.750 50 0 IJAARN Cc1nc2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2n1CCC(=O)NC1CCCCC1 ZINC000064748067 568950653 /nfs/dbraw/zinc/95/06/53/568950653.db2.gz YLWRROQFEPFKAW-UHFFFAOYSA-N 0 0 436.531 4.884 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cc(C)ccc4F)CC3=O)c2)cc1 ZINC000064754748 568951018 /nfs/dbraw/zinc/95/10/18/568951018.db2.gz FYMWCMLLMSENNA-LJQANCHMSA-N 0 0 445.494 4.686 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1ccccc1F ZINC000036105449 568953255 /nfs/dbraw/zinc/95/32/55/568953255.db2.gz KSAUNQGDFIYADL-UHFFFAOYSA-N 0 0 434.920 4.803 50 0 IJAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NC2CCCCCCC2)n1 ZINC000064775663 568954674 /nfs/dbraw/zinc/95/46/74/568954674.db2.gz DIVQVCUXMAIZSB-UHFFFAOYSA-N 0 0 426.492 4.594 50 0 IJAARN CC(=O)N(CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1 ZINC000036115998 568955419 /nfs/dbraw/zinc/95/54/19/568955419.db2.gz OTVYXXLCMVHGLY-NRFANRHFSA-N 0 0 449.016 4.801 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(C)(C)C ZINC000036120053 568957006 /nfs/dbraw/zinc/95/70/06/568957006.db2.gz UEJOZCMNGFURAW-FQEVSTJZSA-N 0 0 428.598 4.598 50 0 IJAARN Cc1cc(Nc2ccc(OC(=O)c3ccccc3F)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000064791257 568957395 /nfs/dbraw/zinc/95/73/95/568957395.db2.gz KPVKCDPIVPUNCM-UHFFFAOYSA-N 0 0 440.438 4.597 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](C)CC ZINC000036121669 568957786 /nfs/dbraw/zinc/95/77/86/568957786.db2.gz SKFSZAYMMKIGTO-UTKZUKDTSA-N 0 0 446.588 4.677 50 0 IJAARN CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](C)CC ZINC000036121145 568957837 /nfs/dbraw/zinc/95/78/37/568957837.db2.gz LAHJHYAHLVGOGA-UTKZUKDTSA-N 0 0 446.588 4.677 50 0 IJAARN CC(C)C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(C)(C)C ZINC000036121541 568958411 /nfs/dbraw/zinc/95/84/11/568958411.db2.gz IXJAYDATQFBZNO-FQEVSTJZSA-N 0 0 446.588 4.675 50 0 IJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1sc2ncccc2c1N ZINC000064794145 568959923 /nfs/dbraw/zinc/95/99/23/568959923.db2.gz RMMCGGMWKISCKA-UHFFFAOYSA-N 0 0 438.582 4.505 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(SC)cc2)cc1 ZINC000064798996 568960557 /nfs/dbraw/zinc/96/05/57/568960557.db2.gz CXRGCQSRVNRRNK-KRWDZBQOSA-N 0 0 445.587 4.786 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc(N2CCCCC2)n1 ZINC000064801516 568961505 /nfs/dbraw/zinc/96/15/05/568961505.db2.gz BLXFPXJPPPRSSA-UHFFFAOYSA-N 0 0 446.511 4.892 50 0 IJAARN Cc1ccc(C)c(N2C(=O)c3cc(-c4cccs4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064815741 568963527 /nfs/dbraw/zinc/96/35/27/568963527.db2.gz VTKHZKUTWBLHDA-VWLOTQADSA-N 0 0 448.592 4.706 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)c2ccccc2F)C1=O ZINC000036152609 568963614 /nfs/dbraw/zinc/96/36/14/568963614.db2.gz SDXPAYGXJLXBQZ-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN CC(C)(C)NC(=O)[C@]1(C)Cn2nc(-c3cccs3)cc2C(=O)N1CCC1=CCCCC1 ZINC000064815938 568963811 /nfs/dbraw/zinc/96/38/11/568963811.db2.gz OMPCYGFJYAZHED-DEOSSOPVSA-N 0 0 440.613 4.631 50 0 IJAARN CCNC(=O)N1CC(C)(C)S[C@]12c1cc(Cl)ccc1N(Cc1ccccc1C)C2=O ZINC000036155872 568966408 /nfs/dbraw/zinc/96/64/08/568966408.db2.gz VFILKMGFNNHMLI-QHCPKHFHSA-N 0 0 444.000 4.905 50 0 IJAARN Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)NCc3ccccc3)C2=O)c1 ZINC000036161824 568967818 /nfs/dbraw/zinc/96/78/18/568967818.db2.gz RLPAVIZUMPJJQA-SANMLTNESA-N 0 0 443.572 4.653 50 0 IJAARN COc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccc(C)cc3)C2=O)c1 ZINC000036164631 568967970 /nfs/dbraw/zinc/96/79/70/568967970.db2.gz FWIXNIXHRHLIIG-SANMLTNESA-N 0 0 444.556 4.592 50 0 IJAARN O=C(c1ccccc1F)N1CCS[C@@]12c1ccccc1N(Cc1ccccc1F)C2=O ZINC000036164293 568967996 /nfs/dbraw/zinc/96/79/96/568967996.db2.gz IMZQYKJZYXWXKN-XMMPIXPASA-N 0 0 436.483 4.554 50 0 IJAARN Cc1ccc(CN2c3ccc(F)cc3[C@@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036165240 568968175 /nfs/dbraw/zinc/96/81/75/568968175.db2.gz OFAWXRMOVNLTGO-RUZDIDTESA-N 0 0 432.520 4.723 50 0 IJAARN COC(=O)c1cccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000064847879 568971222 /nfs/dbraw/zinc/97/12/22/568971222.db2.gz RODFRCOQKKJWDP-HNNXBMFYSA-N 0 0 443.931 4.645 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000064847705 568971276 /nfs/dbraw/zinc/97/12/76/568971276.db2.gz RCMBOGVWWCTLPS-QGZVFWFLSA-N 0 0 425.529 4.531 50 0 IJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCOC)C(=O)c1cccc(F)c1 ZINC000036208142 568973230 /nfs/dbraw/zinc/97/32/30/568973230.db2.gz PSHJYCRSYJRSQP-UHFFFAOYSA-N 0 0 425.504 4.616 50 0 IJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Cl)c2)on1 ZINC000064866139 568974232 /nfs/dbraw/zinc/97/42/32/568974232.db2.gz NTAVZVWHOOTPSA-UHFFFAOYSA-N 0 0 432.929 4.723 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1ccccc1F ZINC000064869593 568976315 /nfs/dbraw/zinc/97/63/15/568976315.db2.gz PFDGXKVMFWXDLA-IBGZPJMESA-N 0 0 427.501 4.879 50 0 IJAARN CCOC(=O)CC1=CC(S[C@@H](C)C(=O)Nc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064869911 568976490 /nfs/dbraw/zinc/97/64/90/568976490.db2.gz JHLMIMIZFRFOTI-HNNXBMFYSA-N 0 0 439.537 4.748 50 0 IJAARN COc1ccc(CC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1Cl ZINC000064888008 568979153 /nfs/dbraw/zinc/97/91/53/568979153.db2.gz KFTQQJUOSPQXOG-UHFFFAOYSA-N 0 0 447.966 4.842 50 0 IJAARN COc1cccc(N([C@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000036246840 568982135 /nfs/dbraw/zinc/98/21/35/568982135.db2.gz QGPAWKKJLKXBAK-QGZVFWFLSA-N 0 0 427.522 4.669 50 0 IJAARN COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)[C@@H](C)c2ccccc2C)cc1 ZINC000036247695 568982390 /nfs/dbraw/zinc/98/23/90/568982390.db2.gz CKZJNTWFFROXBD-SFHVURJKSA-N 0 0 441.549 4.977 50 0 IJAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248486 568982743 /nfs/dbraw/zinc/98/27/43/568982743.db2.gz IYFGUAUWGDAQFZ-UHFFFAOYSA-N 0 0 429.513 4.855 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928954 568987262 /nfs/dbraw/zinc/98/72/62/568987262.db2.gz QUYOLNSIDWCMLM-NRFANRHFSA-N 0 0 448.542 4.604 50 0 IJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929109 568987423 /nfs/dbraw/zinc/98/74/23/568987423.db2.gz KISKTJIRMMMABQ-JOCHJYFZSA-N 0 0 432.543 4.939 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929098 568987478 /nfs/dbraw/zinc/98/74/78/568987478.db2.gz IRJPMCIBFRBZBY-NRFANRHFSA-N 0 0 448.542 4.604 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(C)cc3)c3ncccc32)cc1 ZINC000064929603 568988149 /nfs/dbraw/zinc/98/81/49/568988149.db2.gz RYOKTUTVSGQKIY-UHFFFAOYSA-N 0 0 430.508 4.625 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1nnc([C@@H]2CCCN2C(=O)c2ccccc2Cl)s1 ZINC000064930035 568988422 /nfs/dbraw/zinc/98/84/22/568988422.db2.gz KGFDGMUIBUIKEJ-INIZCTEOSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1F ZINC000064930395 568988846 /nfs/dbraw/zinc/98/88/46/568988846.db2.gz YXAXSXBYAUGHTL-KRWDZBQOSA-N 0 0 443.479 4.746 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930381 568988926 /nfs/dbraw/zinc/98/89/26/568988926.db2.gz BZBVFSCSZNKUPA-SFHVURJKSA-N 0 0 439.516 4.861 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2F)s1 ZINC000064930474 568988951 /nfs/dbraw/zinc/98/89/51/568988951.db2.gz LKDKAWAMEQOENI-MRXNPFEDSA-N 0 0 445.907 4.952 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000064930624 568989042 /nfs/dbraw/zinc/98/90/42/568989042.db2.gz ADZGWJSBEIGAAQ-SFHVURJKSA-N 0 0 439.516 4.915 50 0 IJAARN CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ccccc2F)CC1 ZINC000169681407 568992199 /nfs/dbraw/zinc/99/21/99/568992199.db2.gz MFJWJRCCKZCIDI-LJQANCHMSA-N 0 0 439.575 4.665 50 0 IJAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(N3CCCCCC3)sc21 ZINC000064944102 568993208 /nfs/dbraw/zinc/99/32/08/568993208.db2.gz KRBDBXCPYPWZOL-UHFFFAOYSA-N 0 0 427.599 4.760 50 0 IJAARN CN(C)c1nc2ncnc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2s1 ZINC000064943999 568993304 /nfs/dbraw/zinc/99/33/04/568993304.db2.gz OKJGSSLFMBLIPA-UHFFFAOYSA-N 0 0 447.895 4.555 50 0 IJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)COC(C)C)C1CC1 ZINC000036302933 568993599 /nfs/dbraw/zinc/99/35/99/568993599.db2.gz PMOUDNLKGDVKJL-QHCPKHFHSA-N 0 0 449.595 4.977 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1 ZINC000064949310 568995012 /nfs/dbraw/zinc/99/50/12/568995012.db2.gz WVBDLTLWJQEREK-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN O=C(c1cccc(F)c1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000036312491 568997840 /nfs/dbraw/zinc/99/78/40/568997840.db2.gz PQEULXUJAHBDHB-JOCHJYFZSA-N 0 0 449.526 4.902 50 0 IJAARN CSc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000064960768 569000472 /nfs/dbraw/zinc/00/04/72/569000472.db2.gz BSUQHUCRUCFYDJ-UHFFFAOYSA-N 0 0 443.594 4.644 50 0 IJAARN CCOc1ccccc1NC(=O)c1nnn(Cc2nc(-c3ccccc3C)oc2C)c1C ZINC000064967648 569001298 /nfs/dbraw/zinc/00/12/98/569001298.db2.gz KTYYQIFNCABQSI-UHFFFAOYSA-N 0 0 431.496 4.558 50 0 IJAARN CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(F)ccc4C)c3C)c(C)o2)cc1 ZINC000064967574 569001369 /nfs/dbraw/zinc/00/13/69/569001369.db2.gz VSJZHWVWEHRMEI-UHFFFAOYSA-N 0 0 449.486 4.697 50 0 IJAARN Cc1ccnc(SCC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CC2)n1 ZINC000064979801 569078322 /nfs/dbraw/zinc/07/83/22/569078322.db2.gz JJOZQAKEMNNBFU-UHFFFAOYSA-N 0 0 448.573 4.790 50 0 IJAARN COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)c1 ZINC000036341702 569078976 /nfs/dbraw/zinc/07/89/76/569078976.db2.gz QQFBUYQMSCCRLD-JOCHJYFZSA-N 0 0 441.959 4.521 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341027 569079197 /nfs/dbraw/zinc/07/91/97/569079197.db2.gz WSFYTGRUROCQSG-JOCHJYFZSA-N 0 0 441.959 4.521 50 0 IJAARN COc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344730 569080279 /nfs/dbraw/zinc/08/02/79/569080279.db2.gz VDXDHPHZDZMWQL-VWLOTQADSA-N 0 0 431.511 4.644 50 0 IJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000064989674 569083033 /nfs/dbraw/zinc/08/30/33/569083033.db2.gz NPPUTCZKGDIILZ-UHFFFAOYSA-N 0 0 434.923 4.872 50 0 IJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(Cl)c4)ccc3C[C@@H]2C)cc1 ZINC000064990140 569083159 /nfs/dbraw/zinc/08/31/59/569083159.db2.gz UMFMRQYJODQLPG-INIZCTEOSA-N 0 0 434.923 4.870 50 0 IJAARN C[C@@H]1Cc2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2N1C(=O)c1ccccc1 ZINC000064990285 569083225 /nfs/dbraw/zinc/08/32/25/569083225.db2.gz MUDZVPUEVMASIG-GOSISDBHSA-N 0 0 448.563 4.967 50 0 IJAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000064990711 569083459 /nfs/dbraw/zinc/08/34/59/569083459.db2.gz DFOXGEUQAONWES-UHFFFAOYSA-N 0 0 429.520 4.782 50 0 IJAARN COc1ccc(C)cc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000064990904 569083473 /nfs/dbraw/zinc/08/34/73/569083473.db2.gz SHZBTZFGOAQDBQ-UHFFFAOYSA-N 0 0 429.520 4.837 50 0 IJAARN CN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)c1ccc(F)cc1 ZINC000065000231 569085888 /nfs/dbraw/zinc/08/58/88/569085888.db2.gz RWECLUKHPNAAQG-UHFFFAOYSA-N 0 0 436.458 4.547 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3cc(F)ccc3F)c2oc1C(=O)N1CCCC1 ZINC000065010411 569088162 /nfs/dbraw/zinc/08/81/62/569088162.db2.gz QWWRRPFDNHJFKS-UHFFFAOYSA-N 0 0 448.491 4.673 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCCC3)c2oc1C(=O)N1CCCCC1 ZINC000065010595 569088232 /nfs/dbraw/zinc/08/82/32/569088232.db2.gz IVRRZFBAIACPCJ-UHFFFAOYSA-N 0 0 446.613 4.985 50 0 IJAARN CCCOc1ccc(CNC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023227 569089203 /nfs/dbraw/zinc/08/92/03/569089203.db2.gz VUYJTKBCUGRRQV-OAQYLSRUSA-N 0 0 448.542 4.604 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023694 569089303 /nfs/dbraw/zinc/08/93/03/569089303.db2.gz GFXNPKGWBWLOFU-QGZVFWFLSA-N 0 0 437.341 4.761 50 0 IJAARN O=C(Nc1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1)c1cccs1 ZINC000065027232 569090209 /nfs/dbraw/zinc/09/02/09/569090209.db2.gz UIXGPIRYTADVNG-UHFFFAOYSA-N 0 0 425.510 4.630 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1OC ZINC000065031509 569091430 /nfs/dbraw/zinc/09/14/30/569091430.db2.gz JYDDNSZJVGHLFY-MRXNPFEDSA-N 0 0 429.476 4.720 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c(OC)c1 ZINC000065031511 569091447 /nfs/dbraw/zinc/09/14/47/569091447.db2.gz VSDJARLVKZKVGC-INIZCTEOSA-N 0 0 429.476 4.720 50 0 IJAARN O=C(c1ccc2ncccc2c1)N1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000169753031 569093340 /nfs/dbraw/zinc/09/33/40/569093340.db2.gz JUGFNKIDASVLME-UHFFFAOYSA-N 0 0 431.927 4.631 50 0 IJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1OC ZINC000169754692 569093809 /nfs/dbraw/zinc/09/38/09/569093809.db2.gz GKYUJUBWVRAPEV-INIZCTEOSA-N 0 0 431.851 4.524 50 0 IJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3c(C)cccc3Cl)n2)cc1F ZINC000169754425 569093831 /nfs/dbraw/zinc/09/38/31/569093831.db2.gz HCQMKSOFOJOGLO-UHFFFAOYSA-N 0 0 440.862 4.953 50 0 IJAARN Cc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(C(F)(F)F)cc5)no4)c3CO2)c(C)c1 ZINC000169758511 569094455 /nfs/dbraw/zinc/09/44/55/569094455.db2.gz CMLWARIVHDFUPI-SFHVURJKSA-N 0 0 441.413 4.902 50 0 IJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000065058709 569095561 /nfs/dbraw/zinc/09/55/61/569095561.db2.gz YCTBKKNTWKWLLF-QFIPXVFZSA-N 0 0 444.373 4.708 50 0 IJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000065058705 569095580 /nfs/dbraw/zinc/09/55/80/569095580.db2.gz AIIPOSWFCIIDLI-JOCHJYFZSA-N 0 0 444.373 4.708 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2C)C1 ZINC000065058687 569095595 /nfs/dbraw/zinc/09/55/95/569095595.db2.gz FNOJCFVAZLHNDD-HSZRJFAPSA-N 0 0 429.948 4.607 50 0 IJAARN CC[C@H](C)NC(=O)c1cccnc1Oc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000065059734 569096226 /nfs/dbraw/zinc/09/62/26/569096226.db2.gz OJSAUGUBXADZLL-KRWDZBQOSA-N 0 0 439.537 4.511 50 0 IJAARN CCc1ccccc1NC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062107 569097039 /nfs/dbraw/zinc/09/70/39/569097039.db2.gz YSMJTYUUBJZBPG-AWEZNQCLSA-N 0 0 441.018 4.639 50 0 IJAARN O=C1CCc2cc(Cl)c(S(=O)(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cc2N1 ZINC000036391239 569097144 /nfs/dbraw/zinc/09/71/44/569097144.db2.gz WPHBUZFHRMGNKO-OAQYLSRUSA-N 0 0 436.936 4.574 50 0 IJAARN CC(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccs3)C2)cc1 ZINC000036393656 569098603 /nfs/dbraw/zinc/09/86/03/569098603.db2.gz KEHVETQBBOKBIE-OAQYLSRUSA-N 0 0 439.562 4.555 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(SC)cc2)c1 ZINC000065075311 569099638 /nfs/dbraw/zinc/09/96/38/569099638.db2.gz UDPYKYDIACJTIC-SANMLTNESA-N 0 0 446.572 4.695 50 0 IJAARN CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(Cl)cc2)C1 ZINC000065080678 569101088 /nfs/dbraw/zinc/10/10/88/569101088.db2.gz APQNFRYPYSXPKC-ZFWWWQNUSA-N 0 0 431.993 4.575 50 0 IJAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)ccc1Br ZINC000065085049 569102808 /nfs/dbraw/zinc/10/28/08/569102808.db2.gz IQICNOYUKNLNIL-UHFFFAOYSA-N 0 0 436.352 4.904 50 0 IJAARN COc1ccc(-c2noc(-c3ccc(N4CCN(c5cc(C)ccc5C)CC4)nc3)n2)cc1 ZINC000065097839 569103954 /nfs/dbraw/zinc/10/39/54/569103954.db2.gz UIFOPTZTAHIJAC-UHFFFAOYSA-N 0 0 441.535 4.751 50 0 IJAARN CC(=O)c1ccc(N2CCN(c3ccc(-c4nc(-c5ccc(C)cc5)no4)cn3)CC2)cc1 ZINC000065097804 569103974 /nfs/dbraw/zinc/10/39/74/569103974.db2.gz LSEBEZXZBNKBDT-UHFFFAOYSA-N 0 0 439.519 4.636 50 0 IJAARN COc1ccc(N2C[C@H](c3nc(-c4cccc(-c5csc(C)n5)c4)no3)CC2=O)cc1 ZINC000065098181 569104681 /nfs/dbraw/zinc/10/46/81/569104681.db2.gz PTOOCWRZIIGTDN-QGZVFWFLSA-N 0 0 432.505 4.698 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cn(C)nc3-c3ccccc3)n2C)c(C)c1 ZINC000065099541 569105177 /nfs/dbraw/zinc/10/51/77/569105177.db2.gz OJVXSXGSDSFQRB-UHFFFAOYSA-N 0 0 446.580 4.539 50 0 IJAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1nc(-c2cccc(C)c2)no1 ZINC000065099693 569105317 /nfs/dbraw/zinc/10/53/17/569105317.db2.gz JQWAYYNAXCGZMK-UHFFFAOYSA-N 0 0 448.552 4.671 50 0 IJAARN CC(=O)c1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3C)CC2)cc1 ZINC000065102386 569106049 /nfs/dbraw/zinc/10/60/49/569106049.db2.gz OPHJESYFTUPZPW-UHFFFAOYSA-N 0 0 430.508 4.635 50 0 IJAARN O=C(Nc1ccc(F)c(F)c1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102655 569106101 /nfs/dbraw/zinc/10/61/01/569106101.db2.gz XYHMQNBOEOZCOE-UHFFFAOYSA-N 0 0 426.492 4.761 50 0 IJAARN Cc1ccc(-c2noc(-c3nn(CC(=O)Nc4ccc(F)cc4)c4ccccc43)n2)cc1 ZINC000065111268 569106342 /nfs/dbraw/zinc/10/63/42/569106342.db2.gz JEUUYVUYFSMPKF-UHFFFAOYSA-N 0 0 427.439 4.840 50 0 IJAARN COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)cc1Cl ZINC000065114369 569106463 /nfs/dbraw/zinc/10/64/63/569106463.db2.gz RTVCXUDZEANXDV-UHFFFAOYSA-N 0 0 426.904 4.588 50 0 IJAARN C[C@H](NC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000169793470 569108173 /nfs/dbraw/zinc/10/81/73/569108173.db2.gz HIAKWVUUCPLCEB-IEXUWNMDSA-N 0 0 430.523 4.949 50 0 IJAARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]12 ZINC000169793457 569108175 /nfs/dbraw/zinc/10/81/75/569108175.db2.gz ADXHWHNXIYLIKJ-FPOVZHCZSA-N 0 0 432.486 4.604 50 0 IJAARN CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)c(Cl)c3)c2c1=O ZINC000065113623 569108569 /nfs/dbraw/zinc/10/85/69/569108569.db2.gz YZZDXJZUDQHCEY-UHFFFAOYSA-N 0 0 438.890 4.877 50 0 IJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(C)cc3Br)n2)cc1 ZINC000065133855 569110016 /nfs/dbraw/zinc/11/00/16/569110016.db2.gz VSSGRXFPPXLVNN-UHFFFAOYSA-N 0 0 426.314 4.849 50 0 IJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Br)cc3F)n2)cc1 ZINC000065133845 569110021 /nfs/dbraw/zinc/11/00/21/569110021.db2.gz GOOJYSWGSRICRE-UHFFFAOYSA-N 0 0 430.277 4.680 50 0 IJAARN COc1ccc(CNC(=O)CSc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000065134171 569110144 /nfs/dbraw/zinc/11/01/44/569110144.db2.gz AMNDQMSPESSTPO-UHFFFAOYSA-N 0 0 447.482 4.888 50 0 IJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccc(F)c(Cl)c1 ZINC000065136708 569110251 /nfs/dbraw/zinc/11/02/51/569110251.db2.gz OCEKNJBCIIZEOL-OAHLLOKOSA-N 0 0 435.902 4.959 50 0 IJAARN Cc1ccc(NC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000065151255 569111708 /nfs/dbraw/zinc/11/17/08/569111708.db2.gz QNTZDPCNEQDUAB-UHFFFAOYSA-N 0 0 432.593 4.975 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@](O)(c3cccc(Cl)c3)C2=O)c(Cl)c1 ZINC000065155478 569112480 /nfs/dbraw/zinc/11/24/80/569112480.db2.gz VSBBBHFFQQNKML-QHCPKHFHSA-N 0 0 441.314 4.523 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4ccccc4F)C3)cc2)CC1 ZINC000065178959 569114601 /nfs/dbraw/zinc/11/46/01/569114601.db2.gz DMQWVMMYHWQZEU-HXUWFJFHSA-N 0 0 438.543 4.629 50 0 IJAARN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000065178964 569114621 /nfs/dbraw/zinc/11/46/21/569114621.db2.gz YUSAOVQBQNQVIZ-HXUWFJFHSA-N 0 0 438.543 4.629 50 0 IJAARN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1)c1ccc(F)c(Cl)c1 ZINC000065209287 569116086 /nfs/dbraw/zinc/11/60/86/569116086.db2.gz RYKDEWTXPYHAIZ-FQEVSTJZSA-N 0 0 442.922 4.956 50 0 IJAARN COc1ccc(C(=O)c2sc3sc(C(=O)c4ccc(OC)cc4)c(N)c3c2N)cc1 ZINC000036559061 569117669 /nfs/dbraw/zinc/11/76/69/569117669.db2.gz IOQYFJHQSFVUAY-UHFFFAOYSA-N 0 0 438.530 4.606 50 0 IJAARN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2C1=O ZINC000065241633 569118837 /nfs/dbraw/zinc/11/88/37/569118837.db2.gz BTMSDKNKGBEYCE-UHFFFAOYSA-N 0 0 443.912 4.698 50 0 IJAARN Cc1ccc(C)c(NC(=O)Cn2c(C)ncc(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000065232514 569119118 /nfs/dbraw/zinc/11/91/18/569119118.db2.gz MHKBWXDXRVOSMV-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1ncn(Cc2cccc(C)c2)n1 ZINC000036615965 569122615 /nfs/dbraw/zinc/12/26/15/569122615.db2.gz PAQGXKZJHRVTMX-UHFFFAOYSA-N 0 0 443.555 4.618 50 0 IJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N[C@@H](Cn1cccn1)C(C)(C)C ZINC000036616745 569122860 /nfs/dbraw/zinc/12/28/60/569122860.db2.gz UVYQBJCZEPPGLG-QFIPXVFZSA-N 0 0 444.583 4.776 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NCc3ccccc3Cl)sc12 ZINC000065294099 569131148 /nfs/dbraw/zinc/13/11/48/569131148.db2.gz BPEHWADJBZKAGD-UHFFFAOYSA-N 0 0 439.972 4.505 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000065298520 569132030 /nfs/dbraw/zinc/13/20/30/569132030.db2.gz JPDLDFDUXMGOCN-IBGZPJMESA-N 0 0 427.932 4.518 50 0 biogenic IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)c4ccccc4C)CC3)sc12 ZINC000065299615 569132147 /nfs/dbraw/zinc/13/21/47/569132147.db2.gz HOSBCCKYECSGHF-UHFFFAOYSA-N 0 0 449.555 4.637 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCCN(C(=O)C4CCCCC4)CC3)sc12 ZINC000065300108 569132242 /nfs/dbraw/zinc/13/22/42/569132242.db2.gz GWXDVFXKCCIZIQ-UHFFFAOYSA-N 0 0 441.576 4.549 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c2nc(N3CCC(NC(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065299921 569132253 /nfs/dbraw/zinc/13/22/53/569132253.db2.gz OWKSLZFCSJJHMX-UHFFFAOYSA-N 0 0 445.592 4.806 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N3CCCN(C(=O)c4cccc(C)c4)CC3)sc12 ZINC000065300213 569132255 /nfs/dbraw/zinc/13/22/55/569132255.db2.gz GDRGOCRIFUHICX-UHFFFAOYSA-N 0 0 445.592 4.760 50 0 IJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N[C@@H](C)c4ccc(C)cc4)sc32)cc1 ZINC000065306768 569133492 /nfs/dbraw/zinc/13/34/92/569133492.db2.gz BPWJZOHLWGIIAS-INIZCTEOSA-N 0 0 434.565 4.961 50 0 IJAARN COCCCNc1c(-c2cc(OC)cc(OC)c2)nc2sc3cc(OC)ccc3n21 ZINC000065319333 569134771 /nfs/dbraw/zinc/13/47/71/569134771.db2.gz CLIAGDLBWUJNKP-UHFFFAOYSA-N 0 0 427.526 4.690 50 0 IJAARN CCOc1ccc2c(c1)sc1nc(-c3cc(OC)cc(OC)c3)c(NCCOC)n21 ZINC000065319370 569134858 /nfs/dbraw/zinc/13/48/58/569134858.db2.gz AXBHXIMEOICVNE-UHFFFAOYSA-N 0 0 427.526 4.690 50 0 IJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc([C@@H]3CC(=O)N(C4CCCC4)C3)n2)c1 ZINC000065330161 569137099 /nfs/dbraw/zinc/13/70/99/569137099.db2.gz YMQSJMJGTFLXHO-QGZVFWFLSA-N 0 0 431.496 4.639 50 0 IJAARN CCOc1cccc(-c2noc(CSc3nc(-c4cccc(OC)c4)cc(=O)[nH]3)n2)c1 ZINC000065330979 569137113 /nfs/dbraw/zinc/13/71/13/569137113.db2.gz JDSCRFZULLOBTA-UHFFFAOYSA-N 0 0 436.493 4.599 50 0 IJAARN Cc1cc(C(=O)COC(=O)c2ccccc2[S@@](C)=O)c(C)n1CCC1=CCCCC1 ZINC000007311577 569138884 /nfs/dbraw/zinc/13/88/84/569138884.db2.gz YFJCKAFNTAVHNP-PMERELPUSA-N 0 0 427.566 4.773 50 0 IJAARN COC(=O)CCc1cncc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)c1 ZINC000170600366 569142732 /nfs/dbraw/zinc/14/27/32/569142732.db2.gz NQTIMRLECVZTTH-UHFFFAOYSA-N 0 0 441.487 4.663 50 0 IJAARN CC(=O)N[C@@H](CC(=O)Nc1cc(Br)c(F)cc1C)c1ccc(Cl)cc1 ZINC000170608522 569144923 /nfs/dbraw/zinc/14/49/23/569144923.db2.gz LLVOMEFIWLVWTF-KRWDZBQOSA-N 0 0 427.701 4.756 50 0 IJAARN CC[C@H](C)CNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000037276701 569145355 /nfs/dbraw/zinc/14/53/55/569145355.db2.gz NQGWXTYGJOQLLM-KRWDZBQOSA-N 0 0 427.976 4.515 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000037276522 569145377 /nfs/dbraw/zinc/14/53/77/569145377.db2.gz MPVJQQIDZRETBY-NRFANRHFSA-N 0 0 441.575 4.505 50 0 IJAARN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N[C@@H](C)C(C)C)CC1)c1ccccc1 ZINC000037276849 569145379 /nfs/dbraw/zinc/14/53/79/569145379.db2.gz OZDHGVWAIDASQA-REWPJTCUSA-N 0 0 435.612 4.740 50 0 IJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2 ZINC000037281129 569146019 /nfs/dbraw/zinc/14/60/19/569146019.db2.gz COWSRJMEHSCBIX-CLJLJLNGSA-N 0 0 448.607 4.953 50 0 IJAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000037281061 569146036 /nfs/dbraw/zinc/14/60/36/569146036.db2.gz YNXNXGWCDRHQSE-FTJBHMTQSA-N 0 0 446.591 4.563 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C1CC1)CC2)C(=O)NCC1CC1 ZINC000037281063 569146049 /nfs/dbraw/zinc/14/60/49/569146049.db2.gz YNXNXGWCDRHQSE-IZZNHLLZSA-N 0 0 446.591 4.563 50 0 IJAARN C[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(C(C)(C)C)cs1 ZINC000170623334 569148287 /nfs/dbraw/zinc/14/82/87/569148287.db2.gz WATOAHNUQDJIFQ-GFCCVEGCSA-N 0 0 429.567 4.826 50 0 IJAARN NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)cc1 ZINC000170623482 569148300 /nfs/dbraw/zinc/14/83/00/569148300.db2.gz QBJORMMBTSELQY-UHFFFAOYSA-N 0 0 442.562 4.709 50 0 IJAARN COC(=O)c1nc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)sc1C(C)C ZINC000170625685 569148472 /nfs/dbraw/zinc/14/84/72/569148472.db2.gz VXOHYHQBLXTGGO-UHFFFAOYSA-N 0 0 446.554 4.598 50 0 IJAARN C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc2c(c1)CCCC2 ZINC000009884051 569150174 /nfs/dbraw/zinc/15/01/74/569150174.db2.gz WXAWGCPGKDJTAM-KRWDZBQOSA-N 0 0 448.592 4.521 50 0 IJAARN C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc2c(c1)CCCC2 ZINC000009884054 569150250 /nfs/dbraw/zinc/15/02/50/569150250.db2.gz WXAWGCPGKDJTAM-QGZVFWFLSA-N 0 0 448.592 4.521 50 0 IJAARN O=C(Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000009909679 569150350 /nfs/dbraw/zinc/15/03/50/569150350.db2.gz FPZYLWAZXLYPEE-UHFFFAOYSA-N 0 0 426.295 4.666 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009908848 569150592 /nfs/dbraw/zinc/15/05/92/569150592.db2.gz DOGVTZBPHSVCOD-UHFFFAOYSA-N 0 0 433.489 4.664 50 0 IJAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CC=C(c2ccccc2)CC1 ZINC000009909190 569150653 /nfs/dbraw/zinc/15/06/53/569150653.db2.gz ZZEWZRZYAKHLCU-UHFFFAOYSA-N 0 0 445.519 4.580 50 0 IJAARN COc1cc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)ccc1OCc1ccccc1 ZINC000010024917 569151484 /nfs/dbraw/zinc/15/14/84/569151484.db2.gz VIXAGIYQXXAFSM-UHFFFAOYSA-N 0 0 448.544 4.591 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2OC)cc1 ZINC000010060289 569152428 /nfs/dbraw/zinc/15/24/28/569152428.db2.gz KTFRDXULSCNXTI-GOTSBHOMSA-N 0 0 440.503 4.677 50 0 IJAARN COc1ccc([C@H]2C[C@H](c3ccccc3OC)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060448 569152623 /nfs/dbraw/zinc/15/26/23/569152623.db2.gz KMIOXJIUOJPNRP-DHIUTWEWSA-N 0 0 440.503 4.677 50 0 IJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc(Br)c1 ZINC000010499903 569154770 /nfs/dbraw/zinc/15/47/70/569154770.db2.gz AADJNZVIMSVXMA-UHFFFAOYSA-N 0 0 444.354 4.662 50 0 IJAARN CCCCOc1ccc(CN2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000013322783 569154977 /nfs/dbraw/zinc/15/49/77/569154977.db2.gz NXCIRGFNHMPUNX-UHFFFAOYSA-N 0 0 446.389 4.978 50 0 IJAARN O=C(NCCc1cccc(Cl)c1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579402 569156131 /nfs/dbraw/zinc/15/61/31/569156131.db2.gz HNKZGYPCWNUYTG-JLPGSUDCSA-N 0 0 443.934 4.951 50 0 IJAARN O=C(NCCSCc1ccccc1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016699231 569159801 /nfs/dbraw/zinc/15/98/01/569159801.db2.gz RREFERZSHUNJCW-UHFFFAOYSA-N 0 0 432.589 4.742 50 0 IJAARN CCc1ccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 ZINC000016840383 569163144 /nfs/dbraw/zinc/16/31/44/569163144.db2.gz HAAQEZKHRGKPBY-UHFFFAOYSA-N 0 0 446.482 4.522 50 0 IJAARN O=C(CSc1nc(-c2cccc(Cl)c2)cc(=O)[nH]1)Nc1oncc1-c1ccccc1 ZINC000016841375 569163259 /nfs/dbraw/zinc/16/32/59/569163259.db2.gz MSUFVQLOYOSTMV-UHFFFAOYSA-N 0 0 438.896 4.888 50 0 IJAARN Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)c1C ZINC000016843908 569163676 /nfs/dbraw/zinc/16/36/76/569163676.db2.gz ARZHTFGHQHQMAA-UHFFFAOYSA-N 0 0 445.338 4.546 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1n[nH]c(=O)c2cc(-c3ccco3)nn21 ZINC000016844124 569163765 /nfs/dbraw/zinc/16/37/65/569163765.db2.gz ZVWBMFCSUOYBTK-UHFFFAOYSA-N 0 0 439.884 4.587 50 0 IJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891054 569165634 /nfs/dbraw/zinc/16/56/34/569165634.db2.gz MDSPCNBGPIXHTP-HXOBKFHXSA-N 0 0 441.547 4.708 50 0 IJAARN C[C@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891219 569165713 /nfs/dbraw/zinc/16/57/13/569165713.db2.gz SGWJIDQWSNWDNV-SBUREZEXSA-N 0 0 441.547 4.708 50 0 IJAARN O=C(OCc1csc(-c2ccccn2)n1)c1n[nH]c(-c2ccccc2)c1Br ZINC000089847935 569165852 /nfs/dbraw/zinc/16/58/52/569165852.db2.gz JGMFMLZAWHUZKM-UHFFFAOYSA-N 0 0 441.310 4.715 50 0 IJAARN Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(F)c2)c1C ZINC000016991720 569169663 /nfs/dbraw/zinc/16/96/63/569169663.db2.gz KXFHHTZRKLLUJY-UHFFFAOYSA-N 0 0 443.841 4.782 50 0 IJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000017012575 569170610 /nfs/dbraw/zinc/17/06/10/569170610.db2.gz XQXJBYZSSDYILG-UHFFFAOYSA-N 0 0 441.457 4.510 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000017026545 569171088 /nfs/dbraw/zinc/17/10/88/569171088.db2.gz NRFVONAGIQVEGJ-UHFFFAOYSA-N 0 0 437.569 4.546 50 0 IJAARN Cc1ccc(F)c(Oc2cc(N3CCN(C(=O)c4ccccc4Cl)[C@H](C)C3)ncn2)c1 ZINC000037356018 569171275 /nfs/dbraw/zinc/17/12/75/569171275.db2.gz ZKZVHJCEHQZOJI-MRXNPFEDSA-N 0 0 440.906 4.721 50 0 IJAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)C[C@H]1C ZINC000037356069 569171305 /nfs/dbraw/zinc/17/13/05/569171305.db2.gz GLUOCYRBLWYKPP-GOSISDBHSA-N 0 0 436.943 4.890 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1C ZINC000017052666 569171957 /nfs/dbraw/zinc/17/19/57/569171957.db2.gz OSOASIZOOHHGDV-UHFFFAOYSA-N 0 0 438.524 4.836 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCN(c2cc(Oc3ccc(Cl)cc3F)ncn2)CC1 ZINC000037356287 569172037 /nfs/dbraw/zinc/17/20/37/569172037.db2.gz UHNGOUGQGHQTHG-UHFFFAOYSA-N 0 0 447.297 4.677 50 0 IJAARN Cc1nc2sc([C@H](c3ccc(Br)cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000017144193 569174594 /nfs/dbraw/zinc/17/45/94/569174594.db2.gz BFGPWIUEHZHZRY-OZVIIMIRSA-N 0 0 435.391 4.635 50 0 IJAARN Cc1nc2sc([C@H](c3cccc(Br)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000017144211 569174616 /nfs/dbraw/zinc/17/46/16/569174616.db2.gz WYPPPDHNUJGYLT-OZVIIMIRSA-N 0 0 435.391 4.635 50 0 IJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cccc(Br)c1 ZINC000017149852 569174870 /nfs/dbraw/zinc/17/48/70/569174870.db2.gz WHNIRWCDTFCCJI-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN COc1cccc(-c2csc(NC(=O)[C@H](C)Oc3ccc4c(C)cc(=O)oc4c3)n2)c1 ZINC000000935584 569176254 /nfs/dbraw/zinc/17/62/54/569176254.db2.gz DJCYKUDEIDGMCB-AWEZNQCLSA-N 0 0 436.489 4.640 50 0 IJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(COc3ccccc3)cc2)cc1 ZINC000001121172 569176835 /nfs/dbraw/zinc/17/68/35/569176835.db2.gz NJOFXEUYBLZGPZ-UHFFFAOYSA-N 0 0 447.560 4.987 50 0 IJAARN COc1ccccc1-c1nc(NCc2ccccc2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037359266 569176961 /nfs/dbraw/zinc/17/69/61/569176961.db2.gz QHPJDCRNXRAYAR-UHFFFAOYSA-N 0 0 440.482 4.825 50 0 IJAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002092269 569178837 /nfs/dbraw/zinc/17/88/37/569178837.db2.gz VHZYQIJYCPREIK-VLIAUNLRSA-N 0 0 443.540 4.825 50 0 biogenic IJAARN CCCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002099346 569179565 /nfs/dbraw/zinc/17/95/65/569179565.db2.gz ZPCKPGQHIZGUAT-XUZZJYLKSA-N 0 0 435.955 4.696 50 0 biogenic IJAARN Cc1c2ccc(OCC(=O)c3ccc4c(c3)OCO4)cc2oc(=O)c1Cc1ccccc1 ZINC000002101082 569179725 /nfs/dbraw/zinc/17/97/25/569179725.db2.gz FPFIOLQKIQQXNN-UHFFFAOYSA-N 0 0 428.440 4.683 50 0 biogenic IJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000000976119 569180440 /nfs/dbraw/zinc/18/04/40/569180440.db2.gz JZZHVPWZTNLFJB-KRWDZBQOSA-N 0 0 443.532 4.651 50 0 IJAARN COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002107725 569181261 /nfs/dbraw/zinc/18/12/61/569181261.db2.gz DOXHEFQFXXKRCK-XMMPIXPASA-N 0 0 441.483 4.604 50 0 biogenic IJAARN CCOc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c4ccccc4[nH]c32)cc1OC ZINC000002112539 569182113 /nfs/dbraw/zinc/18/21/13/569182113.db2.gz CBRLWXWVVYOKMS-KRWDZBQOSA-N 0 0 445.519 4.699 50 0 biogenic IJAARN O=C(NC[C@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000002119754 569182783 /nfs/dbraw/zinc/18/27/83/569182783.db2.gz IPSYELIPXCQDCR-QHCPKHFHSA-N 0 0 425.463 4.986 50 0 biogenic IJAARN O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1Br)c1ccccc1 ZINC000253496157 569182862 /nfs/dbraw/zinc/18/28/62/569182862.db2.gz NDXLGXNRLZWHSZ-HNENSFHCSA-N 0 0 447.760 4.799 50 0 IJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccc(C)cc4)N3C2=O)cc1 ZINC000002122844 569183559 /nfs/dbraw/zinc/18/35/59/569183559.db2.gz FMLIWRBWDKUAGV-ZCYQVOJMSA-N 0 0 437.499 4.968 50 0 biogenic IJAARN O=C(C1CCCCC1)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037376419 569185510 /nfs/dbraw/zinc/18/55/10/569185510.db2.gz KWYLZMBEMLDXHA-UHFFFAOYSA-N 0 0 432.927 4.680 50 0 IJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000001170717 569185517 /nfs/dbraw/zinc/18/55/17/569185517.db2.gz RWLAQDCHOMIIKA-INIZCTEOSA-N 0 0 448.778 4.855 50 0 IJAARN Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)n1 ZINC000208012136 569186185 /nfs/dbraw/zinc/18/61/85/569186185.db2.gz ZNJVLGUGCDUROR-HNNXBMFYSA-N 0 0 434.496 4.681 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027245237 569187183 /nfs/dbraw/zinc/18/71/83/569187183.db2.gz KRWGZFNTSGFWCT-OAHLLOKOSA-N 0 0 441.890 4.933 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000002192192 569190652 /nfs/dbraw/zinc/19/06/52/569190652.db2.gz AIQZASOZUHOOAI-UHFFFAOYSA-N 0 0 444.615 4.976 50 0 IJAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000002192375 569190669 /nfs/dbraw/zinc/19/06/69/569190669.db2.gz MODOMKXEKLRKEF-UHFFFAOYSA-N 0 0 436.842 4.650 50 0 IJAARN O=C(Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1)NCCCO ZINC000002194001 569190823 /nfs/dbraw/zinc/19/08/23/569190823.db2.gz AURKHJMRYKGQPK-UHFFFAOYSA-N 0 0 430.573 4.882 50 0 IJAARN O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000002199772 569191592 /nfs/dbraw/zinc/19/15/92/569191592.db2.gz JARSTBJXFORCAO-UHFFFAOYSA-N 0 0 446.504 4.581 50 0 IJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NCc3cccnc3)c2cc1C ZINC000037397303 569193292 /nfs/dbraw/zinc/19/32/92/569193292.db2.gz GDEWIALWJNHTKK-UHFFFAOYSA-N 0 0 432.955 4.999 50 0 IJAARN CCOC(=O)CSc1nc(Cc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002206273 569193532 /nfs/dbraw/zinc/19/35/32/569193532.db2.gz VXLNVUDMFWEYJW-UHFFFAOYSA-N 0 0 428.579 4.789 50 0 IJAARN Cc1ccc(C)c(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000037399168 569194296 /nfs/dbraw/zinc/19/42/96/569194296.db2.gz WTIHKYKMRQLLSM-UHFFFAOYSA-N 0 0 442.607 4.964 50 0 IJAARN Cc1cn2c(CN3CCN(C(=O)c4cccs4)CC3)c(-c3ccc(F)cc3)nc2s1 ZINC000037399462 569194604 /nfs/dbraw/zinc/19/46/04/569194604.db2.gz KQPMOOYZWXPCIO-UHFFFAOYSA-N 0 0 440.569 4.530 50 0 IJAARN COc1ccccc1NC(=O)N(Cc1ccc(OS(=O)(=O)C(C)C)cc1)CC(C)C ZINC000037401073 569195117 /nfs/dbraw/zinc/19/51/17/569195117.db2.gz KHQWRAYFLKMDOQ-UHFFFAOYSA-N 0 0 434.558 4.502 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000027371589 569195497 /nfs/dbraw/zinc/19/54/97/569195497.db2.gz GYFUBEUHTZMYKF-SFHVURJKSA-N 0 0 438.553 4.775 50 0 IJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)C1 ZINC000037440622 569196641 /nfs/dbraw/zinc/19/66/41/569196641.db2.gz QETLRFADLDUSBE-LJQANCHMSA-N 0 0 436.458 4.809 50 0 IJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000037443671 569197202 /nfs/dbraw/zinc/19/72/02/569197202.db2.gz HVVGUEDJAADMON-GXOBATCFSA-N 0 0 433.552 4.903 50 0 IJAARN CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)NC[C@@H](C)CC)CC1)c1ccccc1 ZINC000037525546 569198857 /nfs/dbraw/zinc/19/88/57/569198857.db2.gz OIRILLUQUVDXJJ-NZQKXSOJSA-N 0 0 435.612 4.741 50 0 IJAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000037525627 569198883 /nfs/dbraw/zinc/19/88/83/569198883.db2.gz VKRDDKQTTSQASF-UHFFFAOYSA-N 0 0 446.551 4.651 50 0 IJAARN O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccc(Br)cc1 ZINC000037525392 569199006 /nfs/dbraw/zinc/19/90/06/569199006.db2.gz UQIPEPGOXREDKS-UHFFFAOYSA-N 0 0 426.339 4.839 50 0 IJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(F)c(F)c2)C1 ZINC000037526792 569199206 /nfs/dbraw/zinc/19/92/06/569199206.db2.gz VXVSCVDAIUYVHL-INIZCTEOSA-N 0 0 446.519 4.753 50 0 IJAARN COc1ccc(CN2CCCN(c3cccc(NC(=O)COc4ccccc4)c3)C2=O)cc1 ZINC000037544523 569199645 /nfs/dbraw/zinc/19/96/45/569199645.db2.gz TXUCYZPXBPHMRM-UHFFFAOYSA-N 0 0 445.519 4.545 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)NC[C@@H]1CCCO1 ZINC000037546999 569199832 /nfs/dbraw/zinc/19/98/32/569199832.db2.gz QDVQDOREHVTKGW-QHCPKHFHSA-N 0 0 433.552 4.818 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(OC)cc1 ZINC000037547355 569200065 /nfs/dbraw/zinc/20/00/65/569200065.db2.gz CZNNOISFGDIJJL-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN Cc1cccc(CNC(=O)[C@@H]2CC[C@H](c3ccccc3)N(C(=O)NCc3ccccc3)C2)c1 ZINC000037546503 569200146 /nfs/dbraw/zinc/20/01/46/569200146.db2.gz MBSMXRZHLJHIHX-CLJLJLNGSA-N 0 0 441.575 4.974 50 0 IJAARN COC(=O)c1cccc(CN2C(=O)C[C@H](c3cccc(C)c3)C(C(=O)OC(C)C)=C2C)c1 ZINC000037574913 569201339 /nfs/dbraw/zinc/20/13/39/569201339.db2.gz WASGUKVXLAZWFI-JOCHJYFZSA-N 0 0 435.520 4.523 50 0 IJAARN CC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1 ZINC000037600792 569202251 /nfs/dbraw/zinc/20/22/51/569202251.db2.gz FTPHVTOQLXSRKS-UHFFFAOYSA-N 0 0 437.515 4.744 50 0 IJAARN CC(C)C(=O)N1CCc2ccc(OCC(=O)Nc3ccccc3)cc2[C@H]1c1cccc(F)c1 ZINC000037602552 569202616 /nfs/dbraw/zinc/20/26/16/569202616.db2.gz JXTLTWCZKQDXLT-AREMUKBSSA-N 0 0 446.522 4.973 50 0 IJAARN CC(C)CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 ZINC000037604723 569202805 /nfs/dbraw/zinc/20/28/05/569202805.db2.gz OIIDDNLUWUNOSH-NLFFAJNJSA-N 0 0 436.596 4.746 50 0 IJAARN CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000002221612 569204617 /nfs/dbraw/zinc/20/46/17/569204617.db2.gz UGZOMQVJJGUDBD-UHFFFAOYSA-N 0 0 435.940 4.763 50 0 IJAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1OCC ZINC000002724686 569212716 /nfs/dbraw/zinc/21/27/16/569212716.db2.gz KRUJRZLJGFOOEG-VWLOTQADSA-N 0 0 448.494 4.807 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000002247923 569214595 /nfs/dbraw/zinc/21/45/95/569214595.db2.gz ZALVKRPDIANHBK-LJQANCHMSA-N 0 0 448.500 4.633 50 0 IJAARN COc1cccc(C(=O)N/C(=C\c2ccccc2OC)C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000027521830 569218570 /nfs/dbraw/zinc/21/85/70/569218570.db2.gz TUHUKLUUPHNBDO-HMAPJEAMSA-N 0 0 434.467 4.561 50 0 IJAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2cc(OC)ccc2O[C@@H]3c2cccs2)cc1 ZINC000019928338 569257418 /nfs/dbraw/zinc/25/74/18/569257418.db2.gz WEQZOHLFYLWVJN-XZOQPEGZSA-N 0 0 444.516 4.917 50 0 IJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000043732595 569257896 /nfs/dbraw/zinc/25/78/96/569257896.db2.gz SWFYXSGFPPOEFB-LQNXUBFPSA-N 0 0 440.927 4.916 50 0 IJAARN Cc1nc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)oc1-c1ccccc1 ZINC000253393348 569264400 /nfs/dbraw/zinc/26/44/00/569264400.db2.gz YJVNBDHARIUFLN-IBGZPJMESA-N 0 0 441.572 4.734 50 0 IJAARN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)s1 ZINC000253420414 569266854 /nfs/dbraw/zinc/26/68/54/569266854.db2.gz WWDMYRMDHVGBTA-UHFFFAOYSA-N 0 0 443.569 4.788 50 0 IJAARN CC(C)(CO)[C@H](NC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1)c1cccs1 ZINC000253425578 569267227 /nfs/dbraw/zinc/26/72/27/569267227.db2.gz UXQMEXUEJJJMFV-GOSISDBHSA-N 0 0 440.034 4.836 50 0 IJAARN COc1ccccc1[C@H]1CC(c2cccc(Cl)c2)=NN1S(=O)(=O)c1ccccc1 ZINC000253428854 569267646 /nfs/dbraw/zinc/26/76/46/569267646.db2.gz RKGFAOWUASNMIQ-OAQYLSRUSA-N 0 0 426.925 4.889 50 0 IJAARN CCCCNC(=O)c1c(N)n(-c2ccc(OCCCC)cc2)c2nc3ccccc3nc21 ZINC000002291187 569267899 /nfs/dbraw/zinc/26/78/99/569267899.db2.gz GBDSGRCQDLTWOQ-UHFFFAOYSA-N 0 0 431.540 4.865 50 0 IJAARN CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c32)CO1 ZINC000002301122 569271445 /nfs/dbraw/zinc/27/14/45/569271445.db2.gz DXWXVHLDJUODHA-HNNXBMFYSA-N 0 0 433.986 4.999 50 0 IJAARN Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3ccc4c(c3)oc(=O)cc4C(F)(F)F)C2=O)c1 ZINC000002309406 569272128 /nfs/dbraw/zinc/27/21/28/569272128.db2.gz ISCKYBUSMJHWOJ-OAHLLOKOSA-N 0 0 429.394 4.551 50 0 IJAARN COc1ccc(NC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002319585 569273536 /nfs/dbraw/zinc/27/35/36/569273536.db2.gz QRFFKWMOVMREAY-UHFFFAOYSA-N 0 0 441.466 4.615 50 0 IJAARN COc1ccc(CN(C)c2ncnc3c4cc(Br)ccc4[nH]c32)cc1OC ZINC000002324146 569274345 /nfs/dbraw/zinc/27/43/45/569274345.db2.gz GBJCIPQVBWCPQK-UHFFFAOYSA-N 0 0 427.302 4.527 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)c2ccco2)cc1 ZINC000002328037 569274446 /nfs/dbraw/zinc/27/44/46/569274446.db2.gz XPZBXYJFNUBUJT-UHFFFAOYSA-N 0 0 429.476 4.679 50 0 IJAARN Cc1ccc(C)c(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)c1 ZINC000002337096 569274922 /nfs/dbraw/zinc/27/49/22/569274922.db2.gz CRFDADWSUVDZRQ-UHFFFAOYSA-N 0 0 427.533 4.764 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2cc(C)cc(C)c2)cc1 ZINC000002343703 569275353 /nfs/dbraw/zinc/27/53/53/569275353.db2.gz GMWJHUXTTRTDGL-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccn2)cc1 ZINC000002360823 569286833 /nfs/dbraw/zinc/28/68/33/569286833.db2.gz QVBJEHUEBMHTKC-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COCCn1cc(CCC(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)c2ccccc21 ZINC000252497082 569288072 /nfs/dbraw/zinc/28/80/72/569288072.db2.gz PYMVVTNTBPRNBZ-XMMPIXPASA-N 0 0 445.563 4.904 50 0 IJAARN CCCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc21 ZINC000002381612 569292593 /nfs/dbraw/zinc/29/25/93/569292593.db2.gz HKGVYJXAIQSCGU-UHFFFAOYSA-N 0 0 446.507 4.664 50 0 IJAARN COc1ccc(OC)c([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)c1 ZINC000002383216 569293634 /nfs/dbraw/zinc/29/36/34/569293634.db2.gz DOFHKWMKGXFOFC-JHOBJCJYSA-N 0 0 433.485 4.714 50 0 IJAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002395741 569298358 /nfs/dbraw/zinc/29/83/58/569298358.db2.gz JGXDXVOOAMEUID-KRWDZBQOSA-N 0 0 429.513 4.579 50 0 IJAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002397814 569298611 /nfs/dbraw/zinc/29/86/11/569298611.db2.gz VJXPSJDPDUQLKB-UHFFFAOYSA-N 0 0 432.524 4.817 50 0 IJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000009984882 569298840 /nfs/dbraw/zinc/29/88/40/569298840.db2.gz VXMFTPSCZASQEB-BMRADRMJSA-N 0 0 445.544 4.553 50 0 IJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 ZINC000002402219 569299594 /nfs/dbraw/zinc/29/95/94/569299594.db2.gz JQEWUWOAXKKJFY-KXBFYZLASA-N 0 0 430.287 4.824 50 0 IJAARN CCc1ccc(-n2c(N)c(C(=O)NCc3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000002406084 569300093 /nfs/dbraw/zinc/30/00/93/569300093.db2.gz JWMXTVWMVYBYAN-UHFFFAOYSA-N 0 0 439.494 4.787 50 0 IJAARN CCc1cccc(-n2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)c1 ZINC000002405659 569300151 /nfs/dbraw/zinc/30/01/51/569300151.db2.gz NXCGRYISIYJVQA-UHFFFAOYSA-N 0 0 442.544 4.860 50 0 IJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(Cl)cc1)C[C@@H](C)CC3 ZINC000002409355 569300475 /nfs/dbraw/zinc/30/04/75/569300475.db2.gz JGDCVAIAIMWBAC-NSHDSACASA-N 0 0 430.986 4.985 50 0 IJAARN Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002411972 569301069 /nfs/dbraw/zinc/30/10/69/569301069.db2.gz MIZMMGDEOFDXSS-UHFFFAOYSA-N 0 0 438.578 4.952 50 0 IJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(NC(=O)C(C)C)nn21 ZINC000002418945 569301788 /nfs/dbraw/zinc/30/17/88/569301788.db2.gz WBWVYYMMZUBWRH-QZTJIDSGSA-N 0 0 425.920 4.681 50 0 IJAARN CCCCCOC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc21 ZINC000002424838 569302447 /nfs/dbraw/zinc/30/24/47/569302447.db2.gz KPMXFBBGSIWVQJ-UHFFFAOYSA-N 0 0 446.507 4.680 50 0 IJAARN Cc1cccc(S(=O)(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002429582 569302876 /nfs/dbraw/zinc/30/28/76/569302876.db2.gz SJHVVHJAQXJLLY-UHFFFAOYSA-N 0 0 442.544 4.551 50 0 IJAARN COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc3c(c2)OCCCO3)c(OCc2ccccc2)c1 ZINC000002436920 569303810 /nfs/dbraw/zinc/30/38/10/569303810.db2.gz LCZGXRQMRWGKLA-CLJLJLNGSA-N 0 0 432.472 4.758 50 0 IJAARN CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000002444889 569304405 /nfs/dbraw/zinc/30/44/05/569304405.db2.gz AJONMKYOLRQAFZ-UHFFFAOYSA-N 0 0 439.928 4.598 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000013038645 569307800 /nfs/dbraw/zinc/30/78/00/569307800.db2.gz FBPGHURENDYIAV-UHFFFAOYSA-N 0 0 448.272 4.911 50 0 IJAARN CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)cc3)nc3ccccc3c2=O)cc1 ZINC000013068506 569308752 /nfs/dbraw/zinc/30/87/52/569308752.db2.gz ZWSAEUPITGQMAW-UHFFFAOYSA-N 0 0 446.528 4.863 50 0 IJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000013096149 569309501 /nfs/dbraw/zinc/30/95/01/569309501.db2.gz KHYPAJBTBSQLFV-HNNXBMFYSA-N 0 0 427.957 4.761 50 0 IJAARN C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000013112211 569310342 /nfs/dbraw/zinc/31/03/42/569310342.db2.gz USQAHHWUTJFXTE-QGZVFWFLSA-N 0 0 443.576 4.664 50 0 IJAARN CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1OC ZINC000013112762 569310458 /nfs/dbraw/zinc/31/04/58/569310458.db2.gz BBDHKABQBXHUTI-OAQYLSRUSA-N 0 0 436.581 4.820 50 0 IJAARN CCCCn1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O ZINC000013164408 569312416 /nfs/dbraw/zinc/31/24/16/569312416.db2.gz FJDYZTWOYJKZHX-UHFFFAOYSA-N 0 0 434.721 4.865 50 0 IJAARN O=C(CCc1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456535 569312727 /nfs/dbraw/zinc/31/27/27/569312727.db2.gz XOODYLMGSGNFEE-XMMPIXPASA-N 0 0 449.348 4.952 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000013355316 569313537 /nfs/dbraw/zinc/31/35/37/569313537.db2.gz MIPRYBNYUARWNM-UHFFFAOYSA-N 0 0 448.588 4.767 50 0 IJAARN O=C(Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1)Nc1ccccc1F ZINC000013358408 569313745 /nfs/dbraw/zinc/31/37/45/569313745.db2.gz GKAPBFMPLUGTQJ-UHFFFAOYSA-N 0 0 432.411 4.839 50 0 IJAARN Cc1ccc(OCC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013361055 569313969 /nfs/dbraw/zinc/31/39/69/569313969.db2.gz FQJUZGZUBMCBFE-UHFFFAOYSA-N 0 0 431.517 4.541 50 0 IJAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1OC ZINC000013368913 569314744 /nfs/dbraw/zinc/31/47/44/569314744.db2.gz NVXBYZNZFDIRCS-UHFFFAOYSA-N 0 0 449.938 4.733 50 0 IJAARN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3F)n2)cc1 ZINC000079023087 569322493 /nfs/dbraw/zinc/32/24/93/569322493.db2.gz ZIASDQFJULOZLB-UHFFFAOYSA-N 0 0 433.455 4.548 50 0 IJAARN Cn1c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)nc2ccsc2c1=O ZINC000079024265 569322640 /nfs/dbraw/zinc/32/26/40/569322640.db2.gz VSIGZJWZASWZRW-KRWDZBQOSA-N 0 0 432.530 4.927 50 0 IJAARN O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)N(Cc1ccccc1)CC(F)F ZINC000079067914 569324435 /nfs/dbraw/zinc/32/44/35/569324435.db2.gz WWTYMOHARDDEEE-UHFFFAOYSA-N 0 0 425.361 4.585 50 0 IJAARN COCCOCCN(Cc1ccccc1)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000079094296 569325203 /nfs/dbraw/zinc/32/52/03/569325203.db2.gz FSRGFOJWMCZRJV-UHFFFAOYSA-N 0 0 430.957 4.769 50 0 IJAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCc1nc2cc(F)ccc2s1 ZINC000079095385 569325245 /nfs/dbraw/zinc/32/52/45/569325245.db2.gz IQLLPCLTJKVBOD-UHFFFAOYSA-N 0 0 446.910 4.754 50 0 IJAARN CSc1cnn(-c2ccccc2)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000079096407 569325384 /nfs/dbraw/zinc/32/53/84/569325384.db2.gz OUZLTGLZCGJWPL-UHFFFAOYSA-N 0 0 432.505 4.799 50 0 IJAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4cccc(Br)c4)n3)cc2NC1=O ZINC000019796551 569329539 /nfs/dbraw/zinc/32/95/39/569329539.db2.gz BYMZSVBTEQHHIV-JTQLQIEISA-N 0 0 444.310 4.544 50 0 IJAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000079464616 569330452 /nfs/dbraw/zinc/33/04/52/569330452.db2.gz AEMJPCDJMHNGFK-KGLIPLIRSA-N 0 0 442.368 4.847 50 0 IJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000019855296 569330495 /nfs/dbraw/zinc/33/04/95/569330495.db2.gz AAYACVLUUFSBDQ-UHFFFAOYSA-N 0 0 432.911 4.727 50 0 IJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)c(C)c1Br ZINC000020058345 569332876 /nfs/dbraw/zinc/33/28/76/569332876.db2.gz SYPGQDQXUSAMOZ-UHFFFAOYSA-N 0 0 426.673 4.949 50 0 IJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000020151674 569336480 /nfs/dbraw/zinc/33/64/80/569336480.db2.gz BOSRNNBUWTYWQO-UHFFFAOYSA-N 0 0 432.879 4.811 50 0 IJAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OC)c3)N=C2SCC)cc1 ZINC000020152070 569336644 /nfs/dbraw/zinc/33/66/44/569336644.db2.gz HDCQYHNVRRILEC-RGEXLXHISA-N 0 0 426.538 4.989 50 0 IJAARN O=C(/C=C1\Sc2ccccc2N(Cc2ccccc2F)C1=O)NCCc1ccccc1 ZINC000020179162 569354802 /nfs/dbraw/zinc/35/48/02/569354802.db2.gz XFVQDSQWMALPLV-KQWNVCNZSA-N 0 0 432.520 4.707 50 0 IJAARN Cc1ccc(CCNC(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)Oc3ccccc32)cc1 ZINC000020180660 569355139 /nfs/dbraw/zinc/35/51/39/569355139.db2.gz SVPPFULTRYUFMB-LFVJCYFKSA-N 0 0 446.934 4.774 50 0 IJAARN COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020180932 569355234 /nfs/dbraw/zinc/35/52/34/569355234.db2.gz RKJUNJUPCGJECS-AFYCAVJTSA-N 0 0 436.577 4.870 50 0 IJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCc3ccc(Cl)cc3)cc12 ZINC000020183196 569355476 /nfs/dbraw/zinc/35/54/76/569355476.db2.gz HKJNKUYNWRTEJX-UHFFFAOYSA-N 0 0 441.000 4.562 50 0 IJAARN COc1ccccc1CNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C ZINC000020241232 569357946 /nfs/dbraw/zinc/35/79/46/569357946.db2.gz ROXWIWROXJLDPI-UHFFFAOYSA-N 0 0 428.579 4.930 50 0 IJAARN C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288869 569359283 /nfs/dbraw/zinc/35/92/83/569359283.db2.gz DCVOMSOFFQCGOX-UZUQRXQVSA-N 0 0 441.547 4.708 50 0 IJAARN COC(=O)c1ccc(CN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 ZINC000095349863 569361816 /nfs/dbraw/zinc/36/18/16/569361816.db2.gz RSUAYMSAYSIRKT-UHFFFAOYSA-N 0 0 441.531 4.556 50 0 IJAARN CCOc1ccc(NC(=O)Nc2sc3nc4n(c(=O)c3c2C)CC[C@H](C)CC4)cc1 ZINC000020385384 569363018 /nfs/dbraw/zinc/36/30/18/569363018.db2.gz XCKKZKYVEWSSDD-CYBMUJFWSA-N 0 0 426.542 4.782 50 0 IJAARN COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccc(Br)cc1F ZINC000020386145 569363147 /nfs/dbraw/zinc/36/31/47/569363147.db2.gz UUGITSJORWLJGV-UHFFFAOYSA-N 0 0 445.244 4.714 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1 ZINC000020388786 569363315 /nfs/dbraw/zinc/36/33/15/569363315.db2.gz ARLOYORVRQMBNG-UHFFFAOYSA-N 0 0 444.398 4.900 50 0 IJAARN O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000020414548 569364317 /nfs/dbraw/zinc/36/43/17/569364317.db2.gz SKMXKZXDADPIHU-UHFFFAOYSA-N 0 0 434.883 4.684 50 0 IJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(NC(C)=O)cc2)cc1 ZINC000020415283 569364435 /nfs/dbraw/zinc/36/44/35/569364435.db2.gz OGNZTPAZNGRIEQ-XMMPIXPASA-N 0 0 425.488 4.895 50 0 IJAARN O=C(NCCCn1ccc2ccccc21)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000095418171 569365480 /nfs/dbraw/zinc/36/54/80/569365480.db2.gz GFODCHFBAIDGQS-UHFFFAOYSA-N 0 0 437.902 4.904 50 0 IJAARN COc1cc(Br)cc(CO)c1OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000095431449 569366293 /nfs/dbraw/zinc/36/62/93/569366293.db2.gz UAEYRZNVYPCVSI-UHFFFAOYSA-N 0 0 442.309 4.781 50 0 IJAARN O=C(NCCc1csc(-c2ccccc2Cl)n1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000095443907 569366883 /nfs/dbraw/zinc/36/68/83/569366883.db2.gz SVGYZGBZAPFOMH-QZTJIDSGSA-N 0 0 446.016 4.551 50 0 IJAARN Cc1ccc(-c2noc(CCC(=O)Nc3cccc4c3CN(c3nccs3)C4)n2)cc1 ZINC000095444059 569366994 /nfs/dbraw/zinc/36/69/94/569366994.db2.gz CRYGPWCZNKWZFB-UHFFFAOYSA-N 0 0 431.521 4.593 50 0 IJAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000095454907 569368376 /nfs/dbraw/zinc/36/83/76/569368376.db2.gz CIYCILITTUWUJJ-QGZVFWFLSA-N 0 0 431.418 4.782 50 0 IJAARN COc1ccc(CN(C(=O)c2ccc(-n3cncn3)cc2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000095459183 569369373 /nfs/dbraw/zinc/36/93/73/569369373.db2.gz ZJQAMIFXIWDTCQ-AVRDEDQJSA-N 0 0 434.540 4.506 50 0 IJAARN CC(C)CCN1Cc2cccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2C1 ZINC000095466367 569370964 /nfs/dbraw/zinc/37/09/64/569370964.db2.gz IWWTVVOIKDRHHT-UHFFFAOYSA-N 0 0 435.549 4.568 50 0 IJAARN CCOc1ccc(Oc2c(CN(C)CCc3cnccn3)c(C)nn2-c2ccccc2)cc1 ZINC000095468645 569371407 /nfs/dbraw/zinc/37/14/07/569371407.db2.gz GNMNMJUVRNHRDJ-UHFFFAOYSA-N 0 0 443.551 4.836 50 0 IJAARN COC(=O)C[C@H](c1oc(CSc2cccc(OC)c2)cc(=O)c1O)C1CCCCC1 ZINC000095475236 569372723 /nfs/dbraw/zinc/37/27/23/569372723.db2.gz AOLBDXOMQRNVQT-IBGZPJMESA-N 0 0 432.538 4.873 50 0 IJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000095475159 569372759 /nfs/dbraw/zinc/37/27/59/569372759.db2.gz UHICJOFSJNVULT-MMOPVJDHSA-N 0 0 426.384 4.659 50 0 IJAARN COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O ZINC000095479234 569373640 /nfs/dbraw/zinc/37/36/40/569373640.db2.gz BDUKBWXPNSLOHS-OAQYLSRUSA-N 0 0 447.512 4.881 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Br)c4)c32)cc1O ZINC000095480647 569373938 /nfs/dbraw/zinc/37/39/38/569373938.db2.gz UHVSHKWNNHBDKP-GOSISDBHSA-N 0 0 446.326 4.773 50 0 IJAARN CCCCOc1ccc(NC(=O)CSCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000095482033 569374220 /nfs/dbraw/zinc/37/42/20/569374220.db2.gz CMOBVBXVRXXHSF-UHFFFAOYSA-N 0 0 429.567 4.786 50 0 IJAARN Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000095482283 569374339 /nfs/dbraw/zinc/37/43/39/569374339.db2.gz SYFMEXIDGUREJK-UHFFFAOYSA-N 0 0 444.329 4.625 50 0 IJAARN COc1ccc(C(=O)CC(C)(C)CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000095940194 569375299 /nfs/dbraw/zinc/37/52/99/569375299.db2.gz XHMFXCGFPVYUDF-UHFFFAOYSA-N 0 0 438.568 4.707 50 0 IJAARN COCc1nc2scc(-c3ccccc3)c2c(NCc2nnc(C3CC3)n2C2CC2)n1 ZINC000095941771 569375519 /nfs/dbraw/zinc/37/55/19/569375519.db2.gz RFFVOTVWOCSUJF-UHFFFAOYSA-N 0 0 432.553 4.921 50 0 IJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000095944700 569375676 /nfs/dbraw/zinc/37/56/76/569375676.db2.gz GYXLMVDZEHZGFN-QHCPKHFHSA-N 0 0 436.533 4.552 50 0 IJAARN CC(=O)Nc1cccc(OCCNC(=O)Nc2cc(Cl)c(C)cc2Br)c1 ZINC000095943821 569375714 /nfs/dbraw/zinc/37/57/14/569375714.db2.gz PSKNEWXNXLHBJE-UHFFFAOYSA-N 0 0 440.725 4.570 50 0 IJAARN CC(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccccc1 ZINC000095947438 569376365 /nfs/dbraw/zinc/37/63/65/569376365.db2.gz QYMUGBWLWFWGPT-DEOSSOPVSA-N 0 0 425.536 4.801 50 0 IJAARN Cc1sc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br ZINC000095964808 569377270 /nfs/dbraw/zinc/37/72/70/569377270.db2.gz VTEXDKLQSCGXBV-UHFFFAOYSA-N 0 0 447.120 4.661 50 0 IJAARN COc1ccc(C(=O)C2CCN(C(=O)C=CC3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000096032410 569380906 /nfs/dbraw/zinc/38/09/06/569380906.db2.gz ZNAYVSIQPWCLRK-MBXJOHMKSA-N 0 0 437.923 4.802 50 0 IJAARN O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000096116767 569383907 /nfs/dbraw/zinc/38/39/07/569383907.db2.gz ZRSDVGJTSQXKMW-OAHLLOKOSA-N 0 0 430.382 4.738 50 0 IJAARN O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103463 569382017 /nfs/dbraw/zinc/38/20/17/569382017.db2.gz CGANETHNAVQDFZ-JOCHJYFZSA-N 0 0 443.927 4.835 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000096117708 569384258 /nfs/dbraw/zinc/38/42/58/569384258.db2.gz URISMLQAQRWPDB-WTKPLQERSA-N 0 0 436.861 4.923 50 0 IJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3cc(Br)co3)s2)cc1 ZINC000096134124 569385916 /nfs/dbraw/zinc/38/59/16/569385916.db2.gz NCELUCXZPPJQQY-VGOFMYFVSA-N 0 0 438.734 4.869 50 0 IJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)[C@@H]3CCC[C@H](OC)C3)ccc21 ZINC000096276927 569388681 /nfs/dbraw/zinc/38/86/81/569388681.db2.gz NKTQXDNZPRTXEV-KNQAVFIVSA-N 0 0 433.552 4.735 50 0 IJAARN CCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000096277667 569388784 /nfs/dbraw/zinc/38/87/84/569388784.db2.gz ISHJYRXXYGNMLP-UHFFFAOYSA-N 0 0 426.520 4.855 50 0 IJAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc(Br)cc2)no1)C1CCC1 ZINC000096277953 569388963 /nfs/dbraw/zinc/38/89/63/569388963.db2.gz TXMRHNYRNLVBNS-GOSISDBHSA-N 0 0 426.314 4.699 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2ccc(Br)cc2F)C1=O ZINC000096280853 569389709 /nfs/dbraw/zinc/38/97/09/569389709.db2.gz PCFKXKVMFWTETP-CYBMUJFWSA-N 0 0 445.210 4.599 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000096281135 569389869 /nfs/dbraw/zinc/38/98/69/569389869.db2.gz QOMPTAOXTSZQEF-DQEYMECFSA-N 0 0 434.580 4.500 50 0 IJAARN Cc1nnc(SCc2cccc(C(=O)NCc3ccncc3)c2)n1-c1ccccc1C ZINC000096288482 569390468 /nfs/dbraw/zinc/39/04/68/569390468.db2.gz QKVPWJBFHHSIQU-UHFFFAOYSA-N 0 0 429.549 4.501 50 0 IJAARN COc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccccc3)n2)cc1 ZINC000096293656 569391640 /nfs/dbraw/zinc/39/16/40/569391640.db2.gz RHBXNGICIAGUJJ-UHFFFAOYSA-N 0 0 427.504 4.673 50 0 IJAARN O=C(/C=C\c1ccc(N2CCCC2=O)cc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000096316157 569392723 /nfs/dbraw/zinc/39/27/23/569392723.db2.gz JHPUDCACTHHLML-ORYIKVKISA-N 0 0 442.519 4.630 50 0 IJAARN Cc1nc(CC(C)C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1c(F)cccc1Cl ZINC000096317390 569393271 /nfs/dbraw/zinc/39/32/71/569393271.db2.gz HZMVLLYPOZQENX-UHFFFAOYSA-N 0 0 446.998 4.671 50 0 IJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000096322908 569394988 /nfs/dbraw/zinc/39/49/88/569394988.db2.gz AGNSLWXVLNYVQK-UHFFFAOYSA-N 0 0 443.525 4.992 50 0 IJAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)s2)on1 ZINC000096323464 569395392 /nfs/dbraw/zinc/39/53/92/569395392.db2.gz AVNMARDMVAJFSS-UHFFFAOYSA-N 0 0 431.308 4.722 50 0 IJAARN COc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cc(C)ccc2C)C4)cc1 ZINC000096323748 569395528 /nfs/dbraw/zinc/39/55/28/569395528.db2.gz RUTISSUDOVCYSV-UHFFFAOYSA-N 0 0 433.537 4.673 50 0 IJAARN C[C@H]1Cc2ccc(CNC(=O)c3ccc(Br)o3)cc2N1C(=O)c1ccccc1 ZINC000096325051 569396121 /nfs/dbraw/zinc/39/61/21/569396121.db2.gz UDQIEXSRQJYPQD-AWEZNQCLSA-N 0 0 439.309 4.564 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4cc(-c5cccs5)n[nH]4)ccc32)c1 ZINC000096358936 569397509 /nfs/dbraw/zinc/39/75/09/569397509.db2.gz AMAUSVGQXPNBAW-UHFFFAOYSA-N 0 0 442.544 4.580 50 0 IJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)c(Cl)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398604 569399713 /nfs/dbraw/zinc/39/97/13/569399713.db2.gz KAVHSZXQTPSQBI-UHFFFAOYSA-N 0 0 438.915 4.903 50 0 IJAARN O=C([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000096399357 569400061 /nfs/dbraw/zinc/40/00/61/569400061.db2.gz WIABCJSTTPEQDZ-UHFFFAOYSA-N 0 0 441.959 4.745 50 0 IJAARN CCOC(=O)c1cn(-c2ccccc2)c2c(F)c(N3CCCCCC3)c(F)cc2c1=O ZINC000096576631 569401475 /nfs/dbraw/zinc/40/14/75/569401475.db2.gz ZALYZRHSPCDTCR-UHFFFAOYSA-N 0 0 426.463 4.826 50 0 IJAARN O=C(c1ccccc1)[C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)n1cncn1 ZINC000096592462 569401904 /nfs/dbraw/zinc/40/19/04/569401904.db2.gz ZRURSSWGUCKLNW-INIZCTEOSA-N 0 0 428.930 4.700 50 0 IJAARN COc1ccc(Br)c(C(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)c1 ZINC000225682149 569406959 /nfs/dbraw/zinc/40/69/59/569406959.db2.gz ALOFSBIAULJDBL-ZDUSSCGKSA-N 0 0 438.387 4.814 50 0 IJAARN Cc1cc(OCn2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)n2)ccc1Cl ZINC000028230962 569409340 /nfs/dbraw/zinc/40/93/40/569409340.db2.gz VKVQTBSNWJELSW-UHFFFAOYSA-N 0 0 439.878 4.518 50 0 IJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000002622573 569411268 /nfs/dbraw/zinc/41/12/68/569411268.db2.gz BCYUIXBLOPAADE-UHFFFAOYSA-N 0 0 434.867 4.642 50 0 IJAARN O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F ZINC000002629280 569411946 /nfs/dbraw/zinc/41/19/46/569411946.db2.gz XVHHAYQFZSCOGN-UHFFFAOYSA-N 0 0 440.468 4.768 50 0 IJAARN COc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)c1 ZINC000002629510 569412063 /nfs/dbraw/zinc/41/20/63/569412063.db2.gz LAFBJTRLNOBITH-UHFFFAOYSA-N 0 0 448.500 4.776 50 0 IJAARN O=C(COC(=O)CCCSc1nc2ccccc2s1)NCc1ccccc1Cl ZINC000002635013 569412890 /nfs/dbraw/zinc/41/28/90/569412890.db2.gz URQYKCSUBMXEJP-UHFFFAOYSA-N 0 0 434.970 4.682 50 0 IJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc(C)c4)n3C)n2)cc1 ZINC000002636935 569413172 /nfs/dbraw/zinc/41/31/72/569413172.db2.gz LUCGGVIBMNNCTI-UHFFFAOYSA-N 0 0 435.578 4.953 50 0 IJAARN Cc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c2ccccc2n1 ZINC000002639954 569413535 /nfs/dbraw/zinc/41/35/35/569413535.db2.gz YCQVRUMECPRBRW-UHFFFAOYSA-N 0 0 442.519 4.822 50 0 IJAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)OCc2cc(Cl)cc3c2OCOC3)CC1=O ZINC000002653965 569415277 /nfs/dbraw/zinc/41/52/77/569415277.db2.gz UWZZWGBTLWJBLV-HOTGVXAUSA-N 0 0 443.927 4.816 50 0 IJAARN CC(C)Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(Cl)c1)CCC3 ZINC000002655372 569415342 /nfs/dbraw/zinc/41/53/42/569415342.db2.gz BYGJAQYGWQIBPD-UHFFFAOYSA-N 0 0 448.013 4.987 50 0 IJAARN COc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)cc1 ZINC000002660364 569416060 /nfs/dbraw/zinc/41/60/60/569416060.db2.gz XOMGDJXUMQYDBS-GOSISDBHSA-N 0 0 426.567 4.576 50 0 IJAARN O=C(COC(=O)c1ccccc1F)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000002684840 569416828 /nfs/dbraw/zinc/41/68/28/569416828.db2.gz QMPAMLBJYQZHTP-UHFFFAOYSA-N 0 0 435.842 4.767 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002693177 569417208 /nfs/dbraw/zinc/41/72/08/569417208.db2.gz ILLISALFPCIXFC-UHFFFAOYSA-N 0 0 445.446 4.547 50 0 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Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000057315289 569431020 /nfs/dbraw/zinc/43/10/20/569431020.db2.gz VKAQIYKOZACMEO-VWLOTQADSA-N 0 0 433.596 4.789 50 0 IJAARN CCOc1ccccc1NC(=O)[C@H](NCC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000057338466 569431272 /nfs/dbraw/zinc/43/12/72/569431272.db2.gz NDDMPTKTGCGVJG-AREMUKBSSA-N 0 0 445.563 4.919 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1C ZINC000029706164 569431843 /nfs/dbraw/zinc/43/18/43/569431843.db2.gz VKISRBHOJFRUTG-UHFFFAOYSA-N 0 0 438.531 4.597 50 0 IJAARN O=c1c2ccccc2nc(SCc2cc(F)cc3c2OCOC3)n1Cc1ccccc1 ZINC000002970172 569433310 /nfs/dbraw/zinc/43/33/10/569433310.db2.gz OZSKZJHBGXWGOT-UHFFFAOYSA-N 0 0 434.492 4.743 50 0 IJAARN CC(C)CCn1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccsc2c1=O ZINC000057426045 569434453 /nfs/dbraw/zinc/43/44/53/569434453.db2.gz MLCVDQQZDFBVJL-KRWDZBQOSA-N 0 0 443.638 4.734 50 0 IJAARN CCOc1cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc(Br)c1O ZINC000057435304 569435069 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CCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F ZINC000003024507 569436162 /nfs/dbraw/zinc/43/61/62/569436162.db2.gz VAUJNZKTKBKKCO-UHFFFAOYSA-N 0 0 430.545 4.809 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)Cn1cccc1-c1nc(-c3ccc(Cl)cc3)no1)CCO2 ZINC000057486706 569436531 /nfs/dbraw/zinc/43/65/31/569436531.db2.gz KPBOUAVFGLBBCA-UHFFFAOYSA-N 0 0 434.883 4.593 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)NCc1ccc(C(F)(F)F)cc1 ZINC000057486668 569436536 /nfs/dbraw/zinc/43/65/36/569436536.db2.gz FLMLVBCMWROJQW-UHFFFAOYSA-N 0 0 444.388 4.679 50 0 IJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000057486898 569436598 /nfs/dbraw/zinc/43/65/98/569436598.db2.gz MWJJGRYBYGRAHK-UHFFFAOYSA-N 0 0 440.425 4.849 50 0 IJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1OC ZINC000057487244 569436716 /nfs/dbraw/zinc/43/67/16/569436716.db2.gz VKRBHWXTSSZFPS-UHFFFAOYSA-N 0 0 438.871 4.514 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)Nc1ccccc1Cl ZINC000057487498 569436813 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4.593 50 0 IJAARN COc1ccc(-c2nc3ccc(C(=O)NC4CC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000003035364 569437931 /nfs/dbraw/zinc/43/79/31/569437931.db2.gz GSXYONQJONULAW-UHFFFAOYSA-N 0 0 425.488 4.873 50 0 IJAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000057508024 569438288 /nfs/dbraw/zinc/43/82/88/569438288.db2.gz SCVIOVHJZROLRE-UHFFFAOYSA-N 0 0 437.830 4.922 50 0 IJAARN O=C(CN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230123815 569438750 /nfs/dbraw/zinc/43/87/50/569438750.db2.gz ZFBPURINRJYPBM-BEVDRBHNSA-N 0 0 438.399 4.578 50 0 IJAARN Cc1cccc(Cl)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000057528338 569439246 /nfs/dbraw/zinc/43/92/46/569439246.db2.gz BVRHDAUUSDRSRA-UHFFFAOYSA-N 0 0 439.924 4.730 50 0 IJAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ncoc3-c3ccccc3Cl)C[C@H]21 ZINC000230242218 569440485 /nfs/dbraw/zinc/44/04/85/569440485.db2.gz RUXMDDWLXWICLG-YXJHDRRASA-N 0 0 445.947 4.760 50 0 IJAARN Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 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PKJNXLTWKZIGLX-CYBMUJFWSA-N 0 0 441.578 4.724 50 0 IJAARN O=C(COc1cccc(C(=O)NCC[C@@H](c2ccco2)c2ccccc2)c1)N1CCCCC1 ZINC000670433916 569442763 /nfs/dbraw/zinc/44/27/63/569442763.db2.gz CPXGHLGYLRRFRW-XMMPIXPASA-N 0 0 446.547 4.623 50 0 IJAARN Cc1c(Cl)cccc1-n1c(=O)c2c3c(sc2nc1S[C@@H]1CCOC1=O)CCCC3 ZINC000003256360 569443091 /nfs/dbraw/zinc/44/30/91/569443091.db2.gz QRGRTWJYEMJIKF-MRXNPFEDSA-N 0 0 446.981 4.695 50 0 IJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)c2C1 ZINC000003279943 569443832 /nfs/dbraw/zinc/44/38/32/569443832.db2.gz SKGRGGQHBKNPHW-CQSZACIVSA-N 0 0 440.446 4.757 50 0 IJAARN COc1ccc(-c2nc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc43)sc2C)cc1 ZINC000003283784 569444026 /nfs/dbraw/zinc/44/40/26/569444026.db2.gz MUJWJDJOTSCXJP-UHFFFAOYSA-N 0 0 434.521 4.670 50 0 IJAARN Cc1nnc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1-c1ccc(C)cc1 ZINC000003285717 569444079 /nfs/dbraw/zinc/44/40/79/569444079.db2.gz KNBYWOITFLYFCA-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2)c1 ZINC000003299763 569444918 /nfs/dbraw/zinc/44/49/18/569444918.db2.gz WKYAWXRCLOLFDO-GOSISDBHSA-N 0 0 431.275 4.934 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003301306 569445008 /nfs/dbraw/zinc/44/50/08/569445008.db2.gz JIWDOVVIEBXJKS-UHFFFAOYSA-N 0 0 431.323 4.996 50 0 IJAARN O=C(COC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21)c1ccc(Cl)s1 ZINC000003302447 569445058 /nfs/dbraw/zinc/44/50/58/569445058.db2.gz CKZVDAJXGWVQKV-CVEARBPZSA-N 0 0 431.941 4.523 50 0 IJAARN O=C(c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)N1CCCCCC1 ZINC000003316662 569445777 /nfs/dbraw/zinc/44/57/77/569445777.db2.gz FWNNNNDTDOGFBN-UHFFFAOYSA-N 0 0 427.353 4.810 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c(C)noc2C)c1 ZINC000003318651 569445849 /nfs/dbraw/zinc/44/58/49/569445849.db2.gz VVMNTPMKWGZKIF-UHFFFAOYSA-N 0 0 448.928 4.517 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)N(C)c1ccccc1 ZINC000003323967 569446067 /nfs/dbraw/zinc/44/60/67/569446067.db2.gz QVTWZQATYPWRTM-MRXNPFEDSA-N 0 0 433.508 4.668 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000003326222 569446223 /nfs/dbraw/zinc/44/62/23/569446223.db2.gz ISMIEQKYCHBTAB-UHFFFAOYSA-N 0 0 449.290 4.973 50 0 IJAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2csc3c2CCCCC3)CC1 ZINC000058065046 569446474 /nfs/dbraw/zinc/44/64/74/569446474.db2.gz WGOPCGUBDDNCQY-UHFFFAOYSA-N 0 0 432.033 4.531 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000003340403 569446848 /nfs/dbraw/zinc/44/68/48/569446848.db2.gz NOBOUIBPRNTHCG-OAQYLSRUSA-N 0 0 447.000 4.712 50 0 IJAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000003340982 569446859 /nfs/dbraw/zinc/44/68/59/569446859.db2.gz WSFSDGNWGDREFS-UHFFFAOYSA-N 0 0 431.521 4.802 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1cccnc1 ZINC000003342478 569446997 /nfs/dbraw/zinc/44/69/97/569446997.db2.gz ZGEADJRWZJVKGX-UHFFFAOYSA-N 0 0 449.967 4.700 50 0 IJAARN COc1ccc(CCn2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)[nH]3)c2C)cc1 ZINC000003357739 569447691 /nfs/dbraw/zinc/44/76/91/569447691.db2.gz PFHQUFPKQRXBQO-UHFFFAOYSA-N 0 0 447.560 4.568 50 0 IJAARN CCN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1 ZINC000003364088 569448050 /nfs/dbraw/zinc/44/80/50/569448050.db2.gz DKUJELLPWVWUOB-UHFFFAOYSA-N 0 0 430.961 4.557 50 0 IJAARN Cc1ccc2c(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000003366860 569448230 /nfs/dbraw/zinc/44/82/30/569448230.db2.gz UIUWBXVWRZSAFS-INIZCTEOSA-N 0 0 439.562 4.893 50 0 IJAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 ZINC000003370782 569448461 /nfs/dbraw/zinc/44/84/61/569448461.db2.gz LTQGVNQRAUMFII-UHFFFAOYSA-N 0 0 429.394 4.648 50 0 IJAARN O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058142574 569448723 /nfs/dbraw/zinc/44/87/23/569448723.db2.gz JAWGCZQQBJBOCD-UHFFFAOYSA-N 0 0 444.482 4.609 50 0 IJAARN O=C1OCC[C@H]1Sc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 ZINC000003382101 569448881 /nfs/dbraw/zinc/44/88/81/569448881.db2.gz CAGUZENNAAJXNQ-OAHLLOKOSA-N 0 0 426.544 4.583 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1C ZINC000003382650 569448935 /nfs/dbraw/zinc/44/89/35/569448935.db2.gz XHHBGMSJIGTSEK-UHFFFAOYSA-N 0 0 444.509 4.678 50 0 IJAARN COc1ccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1Cl ZINC000003410839 569450131 /nfs/dbraw/zinc/45/01/31/569450131.db2.gz YDDIYWQZOGRACY-UHFFFAOYSA-N 0 0 437.927 4.638 50 0 IJAARN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1c(F)cccc1Cl ZINC000003415702 569450211 /nfs/dbraw/zinc/45/02/11/569450211.db2.gz BNNLIAYZAYCRFL-UHFFFAOYSA-N 0 0 425.891 4.802 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000003418501 569450295 /nfs/dbraw/zinc/45/02/95/569450295.db2.gz JBVCDHWMAMRYRH-UHFFFAOYSA-N 0 0 428.945 4.846 50 0 IJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2c(Cl)cccc2Cl)ccc1C ZINC000003426697 569450583 /nfs/dbraw/zinc/45/05/83/569450583.db2.gz VNVVIIOYZHHDEW-UHFFFAOYSA-N 0 0 430.353 4.689 50 0 IJAARN O=C(COc1cccc2cccnc21)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000003427071 569450606 /nfs/dbraw/zinc/45/06/06/569450606.db2.gz VTMPGBZEPGRQEM-UHFFFAOYSA-N 0 0 426.498 4.535 50 0 IJAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3Br)ccc12 ZINC000003431093 569450819 /nfs/dbraw/zinc/45/08/19/569450819.db2.gz ZOGLXTRYTYUNPO-UHFFFAOYSA-N 0 0 430.298 4.834 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)N(C)C3CCCCC3)c2oc1-c1ccccc1 ZINC000003450678 569451587 /nfs/dbraw/zinc/45/15/87/569451587.db2.gz PKVQOPJCAONCKX-UHFFFAOYSA-N 0 0 433.504 4.716 50 0 IJAARN C[C@@H](NC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000003452805 569451745 /nfs/dbraw/zinc/45/17/45/569451745.db2.gz RKJUXNZPYIWGLJ-RTBURBONSA-N 0 0 442.515 4.554 50 0 IJAARN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCc2ccccc21 ZINC000030978222 569451872 /nfs/dbraw/zinc/45/18/72/569451872.db2.gz VJGFNTAHFBXRCG-NRFANRHFSA-N 0 0 447.000 4.664 50 0 IJAARN CCCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000003504184 569452864 /nfs/dbraw/zinc/45/28/64/569452864.db2.gz VEIORJIZEUPHPL-HNNXBMFYSA-N 0 0 429.991 4.643 50 0 IJAARN Cn1cnnc1S[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003525443 569453285 /nfs/dbraw/zinc/45/32/85/569453285.db2.gz BDECXQWKDZAQBJ-HNNXBMFYSA-N 0 0 426.851 4.959 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 ZINC000003548695 569453755 /nfs/dbraw/zinc/45/37/55/569453755.db2.gz XSFKEAXQBQFBOA-UHFFFAOYSA-N 0 0 438.549 4.643 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NCc1cccs1 ZINC000003580283 569454290 /nfs/dbraw/zinc/45/42/90/569454290.db2.gz QWIVNZHERVIJKS-UHFFFAOYSA-N 0 0 441.965 4.509 50 0 IJAARN COCCn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc(Cl)cc1)CCCC3 ZINC000003601012 569454855 /nfs/dbraw/zinc/45/48/55/569454855.db2.gz GMCBDZCGRAXEBD-UHFFFAOYSA-N 0 0 448.997 4.612 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(=O)sc3c2)c1 ZINC000003653765 569455714 /nfs/dbraw/zinc/45/57/14/569455714.db2.gz AKKNFZJTHYAXMN-UHFFFAOYSA-N 0 0 439.514 4.507 50 0 IJAARN O=C(CSC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000031503244 569456616 /nfs/dbraw/zinc/45/66/16/569456616.db2.gz HDAUYAFJHFDWNW-OAQYLSRUSA-N 0 0 428.561 4.916 50 0 IJAARN Cc1ccccc1-c1noc(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000031662488 569456976 /nfs/dbraw/zinc/45/69/76/569456976.db2.gz SSDWWYFQALJQMU-UHFFFAOYSA-N 0 0 446.338 4.702 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(SC)cc1)N2 ZINC000015830051 569456986 /nfs/dbraw/zinc/45/69/86/569456986.db2.gz CZBQDDBSIAHIKR-FQEVSTJZSA-N 0 0 439.581 4.586 50 0 IJAARN COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccccc2)C3=O)c1 ZINC000031807912 569457618 /nfs/dbraw/zinc/45/76/18/569457618.db2.gz OLSHPFSMMWWRPD-XMMPIXPASA-N 0 0 427.460 4.549 50 0 IJAARN O=C(CCCCCCCCCC[C@@H]1CCCO1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004023280 569458237 /nfs/dbraw/zinc/45/82/37/569458237.db2.gz NGAURBKPBYVXDO-XPWALMASSA-N 0 0 428.617 4.874 50 0 biogenic IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031903647 569458328 /nfs/dbraw/zinc/45/83/28/569458328.db2.gz CCYHDJCTYWGRKL-HXUWFJFHSA-N 0 0 441.531 4.953 50 0 IJAARN CCOC(=O)CC1=CC(S[C@@H](CC)C(=O)N2CCCCCC2)=Nc2ccccc2N1 ZINC000015862598 569459226 /nfs/dbraw/zinc/45/92/26/569459226.db2.gz ILLBJQZYLZFOKG-FQEVSTJZSA-N 0 0 429.586 4.894 50 0 IJAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccc(F)cc4)nn32)c1 ZINC000032089545 569459549 /nfs/dbraw/zinc/45/95/49/569459549.db2.gz MSZRMVCSAFRJHV-KRWDZBQOSA-N 0 0 428.851 4.831 50 0 IJAARN CCCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)C1=O ZINC000032092453 569459659 /nfs/dbraw/zinc/45/96/59/569459659.db2.gz GOOIUAYJILXKIO-HSZRJFAPSA-N 0 0 429.505 4.516 50 0 IJAARN CC(C)CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(F)cc2)C1=O ZINC000032104743 569460168 /nfs/dbraw/zinc/46/01/68/569460168.db2.gz NRMINCZIJKZWAZ-HSZRJFAPSA-N 0 0 438.890 4.945 50 0 IJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000032147238 569460479 /nfs/dbraw/zinc/46/04/79/569460479.db2.gz XLNRQDOKKIEBKP-UHFFFAOYSA-N 0 0 429.351 4.925 50 0 IJAARN CCC[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1OC)C(=O)OCC ZINC000004186550 569460806 /nfs/dbraw/zinc/46/08/06/569460806.db2.gz CNLCYHFBJFYEEG-HXUWFJFHSA-N 0 0 425.554 4.691 50 0 IJAARN CCC[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1OC)C(=O)OCC ZINC000004186548 569460811 /nfs/dbraw/zinc/46/08/11/569460811.db2.gz CNLCYHFBJFYEEG-FQEVSTJZSA-N 0 0 425.554 4.691 50 0 IJAARN Cc1ccc(-c2nn(CN3CCC(C(=O)N4CCCCCC4)CC3)c(=S)o2)cc1C ZINC000008186151 569462386 /nfs/dbraw/zinc/46/23/86/569462386.db2.gz OHDMKZOGCGTCKK-UHFFFAOYSA-N 0 0 428.602 4.562 50 0 IJAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000038204672 569462457 /nfs/dbraw/zinc/46/24/57/569462457.db2.gz IWCJUWHMKQRUET-YVLHZVERSA-N 0 0 431.311 4.644 50 0 IJAARN O=C(Nc1sc2c(c1[C@@H](c1cccs1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546222 569463511 /nfs/dbraw/zinc/46/35/11/569463511.db2.gz KMNJXBPPLWJPHQ-HXUWFJFHSA-N 0 0 428.579 4.955 50 0 IJAARN CCc1cc([C@H](c2ccccc2OC)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546445 569463552 /nfs/dbraw/zinc/46/35/52/569463552.db2.gz JFCNTEIAXPKQFU-QFIPXVFZSA-N 0 0 439.581 4.501 50 0 IJAARN CC(C)Cc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)s3)n2)cc1 ZINC000067206887 569464648 /nfs/dbraw/zinc/46/46/48/569464648.db2.gz SQGNSKYBCAJBAC-UHFFFAOYSA-N 0 0 431.355 4.816 50 0 IJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008443231 569464653 /nfs/dbraw/zinc/46/46/53/569464653.db2.gz ZKTWKZMPKUKIIC-DVAZWFKOSA-N 0 0 440.975 4.851 50 0 IJAARN COc1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1OC ZINC000067206935 569464659 /nfs/dbraw/zinc/46/46/59/569464659.db2.gz GIPMNTFKQYIDOF-UHFFFAOYSA-N 0 0 445.338 4.898 50 0 IJAARN COc1ccccc1-c1noc(Cc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)n1 ZINC000067246105 569465947 /nfs/dbraw/zinc/46/59/47/569465947.db2.gz DFHVNVULUAGOPH-UHFFFAOYSA-N 0 0 447.472 4.575 50 0 IJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)ccc2OC)c1 ZINC000067258948 569466178 /nfs/dbraw/zinc/46/61/78/569466178.db2.gz VEODPNLDQCFIML-UHFFFAOYSA-N 0 0 434.517 4.704 50 0 IJAARN CN1c2cc(Cl)ccc2-c2nc(SCc3cc(F)cc(F)c3)ncc2S1(=O)=O ZINC000067260214 569466284 /nfs/dbraw/zinc/46/62/84/569466284.db2.gz RIGCESOXSSTXKD-UHFFFAOYSA-N 0 0 439.896 4.506 50 0 IJAARN CCCCOc1ccc(-c2cc3c4nn(Cc5cc(C)ccc5C)c(=O)n4ccn3n2)cc1 ZINC000067260500 569466328 /nfs/dbraw/zinc/46/63/28/569466328.db2.gz UZTIDAWKYSBHQE-UHFFFAOYSA-N 0 0 441.535 4.655 50 0 IJAARN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N[C@H](C)c4ccccc4)ccn3n2)cc1 ZINC000067261016 569466464 /nfs/dbraw/zinc/46/64/64/569466464.db2.gz BUMJCUXSQVLKKQ-LJQANCHMSA-N 0 0 428.536 4.554 50 0 IJAARN CS(=O)(=O)Nc1cccc(NC(=O)CCc2cccc(Oc3ccc(F)cc3)c2)c1 ZINC000038679538 569466620 /nfs/dbraw/zinc/46/66/20/569466620.db2.gz UIFDLZPTCKKOFP-UHFFFAOYSA-N 0 0 428.485 4.561 50 0 IJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl)N1CCOCC1 ZINC000067288384 569467416 /nfs/dbraw/zinc/46/74/16/569467416.db2.gz MCOUSYGPCGBZHW-UHFFFAOYSA-N 0 0 434.298 4.765 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4OCC)nccn3n2)cc1 ZINC000067290373 569467556 /nfs/dbraw/zinc/46/75/56/569467556.db2.gz NZZGIOBDWJVYCG-UHFFFAOYSA-N 0 0 448.548 4.925 50 0 IJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1F ZINC000067290004 569467574 /nfs/dbraw/zinc/46/75/74/569467574.db2.gz ZIOUSRXATHHFBC-UHFFFAOYSA-N 0 0 436.512 4.892 50 0 IJAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1 ZINC000067293346 569467787 /nfs/dbraw/zinc/46/77/87/569467787.db2.gz VOQBSVFIYQNCMJ-MEFGMAGPSA-N 0 0 441.365 4.917 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2cccc(C)n2)cc1OC ZINC000067295642 569467982 /nfs/dbraw/zinc/46/79/82/569467982.db2.gz RUPCEPGEYLNUKR-RFBIWTDZSA-N 0 0 445.475 4.647 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000008619813 569469381 /nfs/dbraw/zinc/46/93/81/569469381.db2.gz JTLQEIXUUVGRNH-UHFFFAOYSA-N 0 0 448.592 4.764 50 0 IJAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(C(C)C)c3C)C2=O)cc1 ZINC000008659662 569469762 /nfs/dbraw/zinc/46/97/62/569469762.db2.gz INCGLFXWMVLGKJ-NDENLUEZSA-N 0 0 441.553 4.760 50 0 IJAARN Cc1ccc(C2=NN(C(=O)CNc3ccc(Br)cc3)[C@H](c3ccco3)C2)o1 ZINC000008706057 569470415 /nfs/dbraw/zinc/47/04/15/569470415.db2.gz QEWITMMWHAPAQW-KRWDZBQOSA-N 0 0 428.286 4.733 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)n2cnc3scc(-c4ccccc4)c3c2=O)cc1Cl ZINC000008717823 569471226 /nfs/dbraw/zinc/47/12/26/569471226.db2.gz XQJFQSKYULYFLB-ZDUSSCGKSA-N 0 0 439.924 4.987 50 0 IJAARN COc1cc(C(=O)N[C@@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000008720335 569471588 /nfs/dbraw/zinc/47/15/88/569471588.db2.gz ZMULFPFQZNLKRY-HNNXBMFYSA-N 0 0 441.325 4.923 50 0 IJAARN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ccc2ccccc2c1 ZINC000008726154 569472297 /nfs/dbraw/zinc/47/22/97/569472297.db2.gz LCDNVTIGQPFDDZ-UHFFFAOYSA-N 0 0 443.576 4.747 50 0 IJAARN CCCn1c(C)cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c1C ZINC000008727604 569472381 /nfs/dbraw/zinc/47/23/81/569472381.db2.gz DNUQBAQBFGANHB-UHFFFAOYSA-N 0 0 437.613 4.666 50 0 IJAARN Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000008734880 569472564 /nfs/dbraw/zinc/47/25/64/569472564.db2.gz CLUQSPIEZXPLML-KRWDZBQOSA-N 0 0 435.907 4.741 50 0 IJAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008746923 569473093 /nfs/dbraw/zinc/47/30/93/569473093.db2.gz LWVRYVKMDZGDOR-UHFFFAOYSA-N 0 0 438.534 4.716 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000008748509 569473216 /nfs/dbraw/zinc/47/32/16/569473216.db2.gz QTYFHAFKLQMAGX-HSZRJFAPSA-N 0 0 430.504 4.520 50 0 IJAARN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000008753187 569473685 /nfs/dbraw/zinc/47/36/85/569473685.db2.gz HQUDLZVNQVMGTL-GOSISDBHSA-N 0 0 445.494 4.784 50 0 IJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@H](C(=O)NC3CC3)c3ccccc3)nc(=O)c12 ZINC000008753534 569473750 /nfs/dbraw/zinc/47/37/50/569473750.db2.gz MWRSOGFECPCTJZ-YJYMSZOUSA-N 0 0 441.622 4.994 50 0 IJAARN O=c1/c(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2nc(-c3ccccc3)nn12 ZINC000008767590 569474890 /nfs/dbraw/zinc/47/48/90/569474890.db2.gz NRBZMKGAFQHBGG-WQRHYEAKSA-N 0 0 440.311 4.933 50 0 IJAARN O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc21)Nc1ccccc1 ZINC000008769728 569475082 /nfs/dbraw/zinc/47/50/82/569475082.db2.gz ODJQSIGYYRCSBF-UHFFFAOYSA-N 0 0 438.531 4.579 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccccc2N2CCCC2)o1 ZINC000008779848 569475620 /nfs/dbraw/zinc/47/56/20/569475620.db2.gz DCAWRDHBYBJABL-UHFFFAOYSA-N 0 0 429.524 4.932 50 0 IJAARN COc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790020 569475991 /nfs/dbraw/zinc/47/59/91/569475991.db2.gz WSSOCNIZDFFRJM-UQBPGWFLSA-N 0 0 440.499 4.884 50 0 biogenic IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008790717 569476097 /nfs/dbraw/zinc/47/60/97/569476097.db2.gz SOWNFUYKOJOTFG-BOVDGQEDSA-N 0 0 449.554 4.775 50 0 biogenic IJAARN Cc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCCO3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791356 569476198 /nfs/dbraw/zinc/47/61/98/569476198.db2.gz NVSPQMTUSNDPJB-SFHVURJKSA-N 0 0 431.488 4.661 50 0 biogenic IJAARN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000008826110 569477512 /nfs/dbraw/zinc/47/75/12/569477512.db2.gz DJEGMCNRBDPXTH-GOSISDBHSA-N 0 0 427.504 4.671 50 0 IJAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc(-c4ccccc4)o3)s2)c1C ZINC000008825864 569477534 /nfs/dbraw/zinc/47/75/34/569477534.db2.gz WJKOOBGNOQERSO-UHFFFAOYSA-N 0 0 438.538 4.679 50 0 IJAARN COC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000008826222 569477595 /nfs/dbraw/zinc/47/75/95/569477595.db2.gz CLIYDJNZIKNJGK-UHFFFAOYSA-N 0 0 427.835 4.872 50 0 IJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000008826197 569477598 /nfs/dbraw/zinc/47/75/98/569477598.db2.gz MAWLZWZAXASGJJ-QFIPXVFZSA-N 0 0 433.577 4.539 50 0 IJAARN Cc1ccc(CN2CN(S(=O)(=O)c3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 ZINC000008828367 569477841 /nfs/dbraw/zinc/47/78/41/569477841.db2.gz ZQFYKMXIGRJAKB-UHFFFAOYSA-N 0 0 444.560 4.728 50 0 IJAARN COc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000008845051 569478735 /nfs/dbraw/zinc/47/87/35/569478735.db2.gz AWVKSSPBHPEDPD-NRFANRHFSA-N 0 0 441.531 4.640 50 0 IJAARN O=c1/c(=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)sc2nc3ccccc3n12 ZINC000008846476 569479115 /nfs/dbraw/zinc/47/91/15/569479115.db2.gz VSTYGFWLLMTRAS-WQRHYEAKSA-N 0 0 428.391 4.616 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000008852815 569479495 /nfs/dbraw/zinc/47/94/95/569479495.db2.gz ISGACLJKESNQME-UHFFFAOYSA-N 0 0 445.997 4.695 50 0 IJAARN COc1cc(C)ccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000008853029 569479582 /nfs/dbraw/zinc/47/95/82/569479582.db2.gz GFIUCAWAKVLLAS-UHFFFAOYSA-N 0 0 441.578 4.681 50 0 IJAARN O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCCc1c[nH]c2ccccc12 ZINC000008854243 569479601 /nfs/dbraw/zinc/47/96/01/569479601.db2.gz FOBYKFZKMOIXCE-UHFFFAOYSA-N 0 0 425.554 4.957 50 0 IJAARN COc1ccc2c(c1)nc(SCC(=O)Nc1sccc1C(N)=O)cc2-c1ccccc1 ZINC000008861587 569480050 /nfs/dbraw/zinc/48/00/50/569480050.db2.gz ANWYPLIGKMCYDZ-UHFFFAOYSA-N 0 0 449.557 4.802 50 0 IJAARN CCCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000008870279 569480516 /nfs/dbraw/zinc/48/05/16/569480516.db2.gz MYBUEONZSHSVQX-UHFFFAOYSA-N 0 0 433.551 4.890 50 0 IJAARN COc1cc(-c2cc(C(=O)O[C@H]3CCCCC3=O)c3ccccc3n2)cc(OC)c1OC ZINC000008877738 569481228 /nfs/dbraw/zinc/48/12/28/569481228.db2.gz JHOYFBPHYBWUMI-NRFANRHFSA-N 0 0 435.476 4.596 50 0 IJAARN CCOC(=O)c1ccoc1CSc1nnc(CSc2nc3ccccc3s2)n1C ZINC000039964252 569482096 /nfs/dbraw/zinc/48/20/96/569482096.db2.gz HXUZAKNTMKIARO-UHFFFAOYSA-N 0 0 446.579 4.779 50 0 IJAARN CCc1cc2oc(=O)cc(CN3CCC(C(=O)Nc4ccccc4O)CC3)c2cc1Cl ZINC000040002672 569482461 /nfs/dbraw/zinc/48/24/61/569482461.db2.gz CPIGRQSUQFGLAN-UHFFFAOYSA-N 0 0 440.927 4.565 50 0 IJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040011934 569482492 /nfs/dbraw/zinc/48/24/92/569482492.db2.gz BDFXREAZFXKTPD-NZQKXSOJSA-N 0 0 428.561 4.969 50 0 IJAARN C[C@@H](NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)c1ccc(Cl)cc1 ZINC000040017319 569482626 /nfs/dbraw/zinc/48/26/26/569482626.db2.gz GQGKIAKOWHUKGD-CQSZACIVSA-N 0 0 426.365 4.957 50 0 IJAARN Cc1noc(C)c1COc1cccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000008880920 569482847 /nfs/dbraw/zinc/48/28/47/569482847.db2.gz PPZMNCGZNBOAEO-UHFFFAOYSA-N 0 0 433.460 4.951 50 0 IJAARN C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008899059 569484050 /nfs/dbraw/zinc/48/40/50/569484050.db2.gz ZHPCFKKFTDMPRY-CQSZACIVSA-N 0 0 449.557 4.884 50 0 IJAARN COc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000008900430 569484108 /nfs/dbraw/zinc/48/41/08/569484108.db2.gz QPKUJJJRYBAIRU-UHFFFAOYSA-N 0 0 446.528 4.830 50 0 IJAARN CC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000040050155 569484158 /nfs/dbraw/zinc/48/41/58/569484158.db2.gz ZOXQQYQPGWBROT-UHFFFAOYSA-N 0 0 436.577 4.682 50 0 IJAARN CC(=O)Nc1cc(NC(=O)c2cc(Br)c(Br)s2)ccc1F ZINC000040050344 569484237 /nfs/dbraw/zinc/48/42/37/569484237.db2.gz SFXIOVAFLBHNCK-UHFFFAOYSA-N 0 0 436.100 4.623 50 0 IJAARN COc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c(OC)c1 ZINC000008900933 569484284 /nfs/dbraw/zinc/48/42/84/569484284.db2.gz IRYCBFDHJHTLMM-FQEVSTJZSA-N 0 0 439.537 4.600 50 0 IJAARN COc1cc(CCC2CCN(C(=O)c3ccc(-c4nc(C)no4)cc3)CC2)cc(OC)c1 ZINC000040051088 569484372 /nfs/dbraw/zinc/48/43/72/569484372.db2.gz UINGNIRAUBVEQP-UHFFFAOYSA-N 0 0 435.524 4.547 50 0 IJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4OCC)CC3)sc2c1 ZINC000008911713 569484897 /nfs/dbraw/zinc/48/48/97/569484897.db2.gz ANDLGNYFXYFZKH-UHFFFAOYSA-N 0 0 439.581 4.627 50 0 IJAARN COc1cc(NC(=O)Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc(OC)c1 ZINC000008913030 569485198 /nfs/dbraw/zinc/48/51/98/569485198.db2.gz NGKVZZAQWHSWFW-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN CCOc1ccc(NC(=O)c2c(NC(=O)CN3CCCC3)sc3c2CCCCC3)cc1 ZINC000008919197 569486394 /nfs/dbraw/zinc/48/63/94/569486394.db2.gz HMJSPIROOPIFNN-UHFFFAOYSA-N 0 0 441.597 4.702 50 0 IJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000040080995 569486584 /nfs/dbraw/zinc/48/65/84/569486584.db2.gz MCSQUHONUWDWJM-LSDHHAIUSA-N 0 0 443.491 4.599 50 0 IJAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000040080848 569486621 /nfs/dbraw/zinc/48/66/21/569486621.db2.gz UICAZWJDBOTUSS-UGSOOPFHSA-N 0 0 425.019 4.747 50 0 IJAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000008921342 569486781 /nfs/dbraw/zinc/48/67/81/569486781.db2.gz GRTOZAHUSAESSG-UHFFFAOYSA-N 0 0 433.512 4.612 50 0 IJAARN CCOC(=O)[C@H](C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(Cl)c1 ZINC000008923642 569487098 /nfs/dbraw/zinc/48/70/98/569487098.db2.gz ZOAYJPGZCNUQIL-LBPRGKRZSA-N 0 0 427.913 4.564 50 0 IJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@@H]1Cc1ccccc1 ZINC000040099019 569487551 /nfs/dbraw/zinc/48/75/51/569487551.db2.gz KCNYTATXTRFHLN-LJQANCHMSA-N 0 0 433.474 4.781 50 0 IJAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1)c1ccc[nH]c1=S ZINC000040112515 569488915 /nfs/dbraw/zinc/48/89/15/569488915.db2.gz DMXSTDGBJDBLLE-SFHVURJKSA-N 0 0 429.998 4.615 50 0 IJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 ZINC000008945237 569489022 /nfs/dbraw/zinc/48/90/22/569489022.db2.gz KXMWGYRSPQBRMT-DEOSSOPVSA-N 0 0 428.532 4.824 50 0 IJAARN COc1ccc([C@@H](NC(=O)c2ccc(OCc3nccn3C)cc2)c2ccccc2)cc1 ZINC000040119419 569489335 /nfs/dbraw/zinc/48/93/35/569489335.db2.gz ZVLRNBKMTKAIHG-VWLOTQADSA-N 0 0 427.504 4.527 50 0 IJAARN CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1cccc(Cl)c1C)C(F)(F)F ZINC000008951268 569489896 /nfs/dbraw/zinc/48/98/96/569489896.db2.gz HUAOPMOUSYFKCS-GOSISDBHSA-N 0 0 449.256 4.965 50 0 IJAARN O=C(NCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1)c1cccs1 ZINC000040130546 569490291 /nfs/dbraw/zinc/49/02/91/569490291.db2.gz FXAVBFJLIQFQAT-QHCPKHFHSA-N 0 0 427.529 4.593 50 0 IJAARN CNC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c32)c1C ZINC000040134103 569490529 /nfs/dbraw/zinc/49/05/29/569490529.db2.gz QDLAKKQQXBLALT-UHFFFAOYSA-N 0 0 426.476 4.688 50 0 IJAARN CN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2C1=O ZINC000008961084 569490867 /nfs/dbraw/zinc/49/08/67/569490867.db2.gz BOOYVNZJRWQQRF-UHFFFAOYSA-N 0 0 428.897 4.664 50 0 IJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C ZINC000008961059 569490893 /nfs/dbraw/zinc/49/08/93/569490893.db2.gz HNWREBUUVFWDFP-UHFFFAOYSA-N 0 0 438.505 4.577 50 0 IJAARN CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000008961073 569490915 /nfs/dbraw/zinc/49/09/15/569490915.db2.gz ORBWSHRDAQVOME-UHFFFAOYSA-N 0 0 438.505 4.659 50 0 IJAARN Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C(=O)NCc3ccccc3)c2C)no1 ZINC000008965673 569491517 /nfs/dbraw/zinc/49/15/17/569491517.db2.gz DJFSXGCKRYJDIH-UHFFFAOYSA-N 0 0 443.503 4.582 50 0 IJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1 ZINC000008965920 569491601 /nfs/dbraw/zinc/49/16/01/569491601.db2.gz WYBOBFLDNYZSLK-OAHLLOKOSA-N 0 0 442.560 4.923 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000008966076 569491680 /nfs/dbraw/zinc/49/16/80/569491680.db2.gz FYZCWJSTPCZXQH-UHFFFAOYSA-N 0 0 426.545 4.852 50 0 IJAARN COc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1Br ZINC000040156953 569494257 /nfs/dbraw/zinc/49/42/57/569494257.db2.gz RAJZVSCUXXWRNG-CTNGQTDRSA-N 0 0 436.321 4.566 50 0 IJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2C(C)C)cc1 ZINC000008989698 569494928 /nfs/dbraw/zinc/49/49/28/569494928.db2.gz CNPUEBSEZWFXHH-IRXDYDNUSA-N 0 0 436.581 4.993 50 0 IJAARN NC=C(CCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccccn1)c1ccccc1 ZINC000008990208 569495040 /nfs/dbraw/zinc/49/50/40/569495040.db2.gz ZQRFBUVFJPHCCH-AHNKUGAQSA-N 0 0 439.494 4.546 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)Nc4ncc(C)s4)ccc3c2=O)cc1 ZINC000008991569 569495335 /nfs/dbraw/zinc/49/53/35/569495335.db2.gz UOBDJPMLEHVVRS-UHFFFAOYSA-N 0 0 436.489 4.559 50 0 biogenic IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000008992587 569495345 /nfs/dbraw/zinc/49/53/45/569495345.db2.gz FMQQYRAJDDQIOR-INIZCTEOSA-N 0 0 431.414 4.557 50 0 IJAARN COc1ccc(-c2noc(CN(C)C(=O)c3c(C)onc3-c3ccccc3Cl)n2)cc1 ZINC000008994135 569495479 /nfs/dbraw/zinc/49/54/79/569495479.db2.gz DAUNMUYKJCAXRN-UHFFFAOYSA-N 0 0 438.871 4.634 50 0 IJAARN CCc1ccc(-n2c(N)c(S(=O)(=O)c3ccc(F)cc3)c3nc4ccccc4nc32)cc1 ZINC000008997624 569495866 /nfs/dbraw/zinc/49/58/66/569495866.db2.gz BNPKEFMQRRZCOP-UHFFFAOYSA-N 0 0 446.507 4.690 50 0 IJAARN O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1Cc1ccc(F)cc1 ZINC000009031578 569497106 /nfs/dbraw/zinc/49/71/06/569497106.db2.gz WZFLESNKRJOSPH-UHFFFAOYSA-N 0 0 444.491 4.926 50 0 IJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc4cc[nH]c4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288160 569498436 /nfs/dbraw/zinc/49/84/36/569498436.db2.gz FKEIQBHFUIJSNU-ZEQRLZLVSA-N 0 0 425.488 4.726 50 0 IJAARN Cc1oc2cc(OCC(=O)N[C@@H](C)CCc3ccco3)ccc2c(=O)c1-c1ccccc1 ZINC000009048659 569498527 /nfs/dbraw/zinc/49/85/27/569498527.db2.gz XVUGDEGVFKPJJG-KRWDZBQOSA-N 0 0 431.488 4.878 50 0 biogenic IJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccccc2Br)n1C ZINC000009058073 569499244 /nfs/dbraw/zinc/49/92/44/569499244.db2.gz IYUIFUOAVJHHFU-AWEZNQCLSA-N 0 0 445.386 4.523 50 0 IJAARN Cc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccco2)cc1 ZINC000009058660 569499258 /nfs/dbraw/zinc/49/92/58/569499258.db2.gz SLCKTQJMCNYHKK-NRFANRHFSA-N 0 0 426.432 4.596 50 0 IJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000245238842 569500569 /nfs/dbraw/zinc/50/05/69/569500569.db2.gz BOCKYKUTXITFPY-OWWOZPERSA-N 0 0 433.552 4.911 50 0 IJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2Cc2ccco2)[C@H]1C ZINC000245261367 569501680 /nfs/dbraw/zinc/50/16/80/569501680.db2.gz ZYZGGXGQNFAIOT-MOBZDKELSA-N 0 0 439.581 4.651 50 0 IJAARN COc1cc(OC)c(NC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)cc1Cl ZINC000009115251 569502671 /nfs/dbraw/zinc/50/26/71/569502671.db2.gz RENQZCIOOPCXCJ-UHFFFAOYSA-N 0 0 448.928 4.543 50 0 IJAARN O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccc2c(c1)OCO2 ZINC000009116102 569502860 /nfs/dbraw/zinc/50/28/60/569502860.db2.gz QSNSJBJAPGAXAZ-UHFFFAOYSA-N 0 0 430.479 4.806 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC(C(=O)N(C)Cc5ccccc5)CC4)sc3n2)cc1 ZINC000009117259 569503096 /nfs/dbraw/zinc/50/30/96/569503096.db2.gz JTPMIMOYKMEIDO-UHFFFAOYSA-N 0 0 445.592 4.641 50 0 IJAARN COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccccc5C)CC4)sc3n2)cc1 ZINC000009117355 569503133 /nfs/dbraw/zinc/50/31/33/569503133.db2.gz IOGDNTWYTOSYKA-UHFFFAOYSA-N 0 0 447.564 4.630 50 0 IJAARN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCc5ccccc5C)C4)sc3n2)cc1 ZINC000009117543 569503146 /nfs/dbraw/zinc/50/31/46/569503146.db2.gz GHQTYAXIGLIXRV-NRFANRHFSA-N 0 0 445.592 4.607 50 0 IJAARN CCc1ccc2c(COC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc(=O)oc2c1 ZINC000009120461 569503939 /nfs/dbraw/zinc/50/39/39/569503939.db2.gz WRBKGSMMSXHYOG-UHFFFAOYSA-N 0 0 447.487 4.825 50 0 IJAARN CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000009120794 569503942 /nfs/dbraw/zinc/50/39/42/569503942.db2.gz CNROTUFVHCKAKQ-QFIPXVFZSA-N 0 0 441.531 4.567 50 0 IJAARN COc1ccc(Nc2nnc(SCc3nc4ccc(Cl)cc4n3CCO)s2)cc1 ZINC000009120687 569503989 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/nfs/dbraw/zinc/53/02/87/569530287.db2.gz DHWNTJZJZBNIMD-UHFFFAOYSA-N 0 0 449.937 4.625 50 0 IJAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407682 569530310 /nfs/dbraw/zinc/53/03/10/569530310.db2.gz LPKIBMHIDMRDDO-UHFFFAOYSA-N 0 0 433.938 4.925 50 0 IJAARN CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)c1 ZINC000009409036 569530792 /nfs/dbraw/zinc/53/07/92/569530792.db2.gz XJMUOODERQCNIM-DEOSSOPVSA-N 0 0 435.524 4.543 50 0 IJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(C)c21 ZINC000009410622 569531417 /nfs/dbraw/zinc/53/14/17/569531417.db2.gz FOFMZRDMNMIMMR-UHFFFAOYSA-N 0 0 446.478 4.986 50 0 IJAARN O=C(CSCC(=O)N1CCCC1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000009412483 569531602 /nfs/dbraw/zinc/53/16/02/569531602.db2.gz ZLPGZXRQMVNTIX-UHFFFAOYSA-N 0 0 437.590 4.771 50 0 IJAARN CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@](=O)C2 ZINC000009413384 569531713 /nfs/dbraw/zinc/53/17/13/569531713.db2.gz CFIHHBYVULPQQY-YTTGMZPUSA-N 0 0 445.544 4.747 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1 ZINC000009420041 569532591 /nfs/dbraw/zinc/53/25/91/569532591.db2.gz HCMHVAWWWXWIFA-UHFFFAOYSA-N 0 0 432.476 4.912 50 0 IJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)coc2c1C ZINC000009430915 569534023 /nfs/dbraw/zinc/53/40/23/569534023.db2.gz LNYOGAPAUNMFMR-MRXNPFEDSA-N 0 0 440.565 4.651 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]1c1cccs1 ZINC000009432775 569534486 /nfs/dbraw/zinc/53/44/86/569534486.db2.gz HWPRLQLVOYXSSI-PKTZIBPZSA-N 0 0 448.544 4.517 50 0 IJAARN CCCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000009435459 569534803 /nfs/dbraw/zinc/53/48/03/569534803.db2.gz WFEHKXFPDQGALI-UHFFFAOYSA-N 0 0 442.556 4.600 50 0 IJAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000009440157 569535189 /nfs/dbraw/zinc/53/51/89/569535189.db2.gz QJTMTALQZPDZJB-IBGZPJMESA-N 0 0 444.531 4.779 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)Cc2ccc(SC)cc2)cc1 ZINC000009440875 569535298 /nfs/dbraw/zinc/53/52/98/569535298.db2.gz HUSOPNNAAMUOCI-UHFFFAOYSA-N 0 0 449.576 4.740 50 0 IJAARN COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009446859 569535917 /nfs/dbraw/zinc/53/59/17/569535917.db2.gz QHJURZIYNAPLIM-UHFFFAOYSA-N 0 0 431.423 4.668 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009450743 569536350 /nfs/dbraw/zinc/53/63/50/569536350.db2.gz GTYSEQMEAZRWEI-HXUWFJFHSA-N 0 0 447.458 4.559 50 0 IJAARN C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccccn1 ZINC000009453204 569536578 /nfs/dbraw/zinc/53/65/78/569536578.db2.gz QWYBXJLLRSPURV-HNNXBMFYSA-N 0 0 434.879 4.592 50 0 IJAARN O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009459995 569536901 /nfs/dbraw/zinc/53/69/01/569536901.db2.gz XUCUWIPPRCSCKW-UHFFFAOYSA-N 0 0 445.494 4.525 50 0 IJAARN CC(C)c1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000009460903 569537044 /nfs/dbraw/zinc/53/70/44/569537044.db2.gz FHHCZZQQLDNVBL-UHFFFAOYSA-N 0 0 440.547 4.771 50 0 IJAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O ZINC000009461669 569537087 /nfs/dbraw/zinc/53/70/87/569537087.db2.gz UCFCUCJWINGXBS-NDEPHWFRSA-N 0 0 449.510 4.913 50 0 IJAARN CCCCOc1cccc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000009463929 569537561 /nfs/dbraw/zinc/53/75/61/569537561.db2.gz CWUOHXXRRQGSJE-QHCPKHFHSA-N 0 0 443.609 4.818 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3c(n2-c2ccccc2)CCCC3)c1 ZINC000009464585 569537726 /nfs/dbraw/zinc/53/77/26/569537726.db2.gz GUQMBDARBZLEDS-MRXNPFEDSA-N 0 0 437.565 4.888 50 0 IJAARN CN(CC(=O)NCc1ccco1)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 ZINC000009465373 569537905 /nfs/dbraw/zinc/53/79/05/569537905.db2.gz DIVMMMPEHSERFZ-UHFFFAOYSA-N 0 0 428.941 4.614 50 0 IJAARN CCOc1cc(CNCc2nc3ccccc3n2C)ccc1OCCOc1ccc(F)cc1 ZINC000009465406 569537924 /nfs/dbraw/zinc/53/79/24/569537924.db2.gz KIQYNSQYYNDJBE-UHFFFAOYSA-N 0 0 449.526 4.859 50 0 IJAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CSc1c(Cl)cccc1Cl ZINC000009467452 569538373 /nfs/dbraw/zinc/53/83/73/569538373.db2.gz ONISKWUDJRBGLC-UHFFFAOYSA-N 0 0 444.409 4.906 50 0 IJAARN O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl ZINC000009467917 569538548 /nfs/dbraw/zinc/53/85/48/569538548.db2.gz LJUIXWWNEATSII-UHFFFAOYSA-N 0 0 426.700 4.568 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000009477916 569539277 /nfs/dbraw/zinc/53/92/77/569539277.db2.gz HYRDYHITNSAWEW-UHFFFAOYSA-N 0 0 442.899 4.615 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccc2c(c1)CCC2 ZINC000009478598 569539352 /nfs/dbraw/zinc/53/93/52/569539352.db2.gz QTYGDQNWDIYIQM-UHFFFAOYSA-N 0 0 429.549 4.981 50 0 IJAARN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009487711 569539794 /nfs/dbraw/zinc/53/97/94/569539794.db2.gz VLTSJWQGBQIPLF-LJQANCHMSA-N 0 0 436.431 4.757 50 0 IJAARN COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1 ZINC000009487425 569539798 /nfs/dbraw/zinc/53/97/98/569539798.db2.gz ZPGYERRXBUVNGR-UHFFFAOYSA-N 0 0 448.544 4.549 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1 ZINC000009490273 569540130 /nfs/dbraw/zinc/54/01/30/569540130.db2.gz HQQSPJTVMIMTML-UHFFFAOYSA-N 0 0 446.931 4.772 50 0 IJAARN COc1cc(C(=O)NCCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000009492208 569540508 /nfs/dbraw/zinc/54/05/08/569540508.db2.gz DDOQBQJHFMELAS-UHFFFAOYSA-N 0 0 431.319 4.949 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NCC1CCCCC1 ZINC000009492439 569540581 /nfs/dbraw/zinc/54/05/81/569540581.db2.gz ARXLORNFDZLXRL-UHFFFAOYSA-N 0 0 438.572 4.921 50 0 IJAARN CC(=O)c1sc(NC(=O)COc2ccc(F)cc2Br)nc1-c1ccccc1 ZINC000009494993 569540998 /nfs/dbraw/zinc/54/09/98/569540998.db2.gz MHFHZQBVUGLROK-UHFFFAOYSA-N 0 0 449.301 4.932 50 0 IJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000009498489 569541354 /nfs/dbraw/zinc/54/13/54/569541354.db2.gz LIEDUXGSSODNCD-FOIQADDNSA-N 0 0 441.528 4.635 50 0 IJAARN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NC[C@@H](C)O)n1 ZINC000009499209 569541436 /nfs/dbraw/zinc/54/14/36/569541436.db2.gz DARMNZTUMUUUMO-GFCCVEGCSA-N 0 0 446.642 4.804 50 0 IJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)COc1ccccc1O ZINC000009501551 569541589 /nfs/dbraw/zinc/54/15/89/569541589.db2.gz FNMDHCCIXIDZAX-UHFFFAOYSA-N 0 0 447.922 4.936 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CSCc2ccccc2C)N3)cc1 ZINC000009505341 569541846 /nfs/dbraw/zinc/54/18/46/569541846.db2.gz ZFIZOSLNGSMPKM-XMMPIXPASA-N 0 0 445.588 4.899 50 0 IJAARN Cc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc21 ZINC000009506969 569541912 /nfs/dbraw/zinc/54/19/12/569541912.db2.gz FQMLWVPMDOJKBZ-UHFFFAOYSA-N 0 0 443.532 4.726 50 0 IJAARN COCCn1c(C)cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c1C ZINC000009508613 569542372 /nfs/dbraw/zinc/54/23/72/569542372.db2.gz MXAUPVIBALXWIZ-UHFFFAOYSA-N 0 0 432.476 4.599 50 0 IJAARN CSc1nc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc2s1 ZINC000009508765 569542388 /nfs/dbraw/zinc/54/23/88/569542388.db2.gz XIHCCLYSLJIBKQ-KRWDZBQOSA-N 0 0 437.546 4.591 50 0 IJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)Cc4ccc5c(c4)OCO5)cc3)o2)cc1 ZINC000009512383 569542961 /nfs/dbraw/zinc/54/29/61/569542961.db2.gz RKXAHSBRYUTKKQ-UHFFFAOYSA-N 0 0 427.460 4.713 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)c2)cs1 ZINC000009512629 569542976 /nfs/dbraw/zinc/54/29/76/569542976.db2.gz HPSOEISNGGEAFJ-QGZVFWFLSA-N 0 0 444.603 4.650 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000009514090 569543121 /nfs/dbraw/zinc/54/31/21/569543121.db2.gz YZCGYDGDIBQFJG-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)o2)cc1 ZINC000009515806 569543355 /nfs/dbraw/zinc/54/33/55/569543355.db2.gz OXOLJFNWHBCYRT-UHFFFAOYSA-N 0 0 439.324 4.876 50 0 IJAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000009516188 569543437 /nfs/dbraw/zinc/54/34/37/569543437.db2.gz OSKWLGBOAMPAHZ-NRFANRHFSA-N 0 0 447.560 4.679 50 0 IJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009516655 569543511 /nfs/dbraw/zinc/54/35/11/569543511.db2.gz NTLPCOVFFVIALL-INIZCTEOSA-N 0 0 427.913 4.611 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000009517011 569543579 /nfs/dbraw/zinc/54/35/79/569543579.db2.gz FTOHLKCWCZLJGB-NSHDSACASA-N 0 0 434.443 4.726 50 0 IJAARN CCn1c2ccccc2c2cc([C@@H]3OC(c4ccccc4OC(C)=O)=NN3C(C)=O)ccc21 ZINC000009529722 569544887 /nfs/dbraw/zinc/54/48/87/569544887.db2.gz HUTOYXIUBGXQJA-SANMLTNESA-N 0 0 441.487 4.979 50 0 IJAARN COc1cc(CN(C)C(=O)c2cncc(Br)c2)ccc1OCc1ccccc1 ZINC000009533808 569545427 /nfs/dbraw/zinc/54/54/27/569545427.db2.gz JALVWYDEKURHOD-UHFFFAOYSA-N 0 0 441.325 4.704 50 0 IJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 ZINC000009535767 569545526 /nfs/dbraw/zinc/54/55/26/569545526.db2.gz XXXUDFIIOFNYQJ-HXUWFJFHSA-N 0 0 432.505 4.750 50 0 IJAARN Cc1ccccc1CCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000009535314 569545569 /nfs/dbraw/zinc/54/55/69/569545569.db2.gz QUBCSEHKQUCPKL-UHFFFAOYSA-N 0 0 446.931 4.561 50 0 IJAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000009540344 569545775 /nfs/dbraw/zinc/54/57/75/569545775.db2.gz KXBWKHJQOUNDAT-PEYGBLKVSA-N 0 0 432.564 4.568 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000009540545 569545874 /nfs/dbraw/zinc/54/58/74/569545874.db2.gz GZDLPVDQSZWJNY-MRXNPFEDSA-N 0 0 425.863 4.790 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000009544755 569546039 /nfs/dbraw/zinc/54/60/39/569546039.db2.gz STKCWMXTYKUZLH-UHFFFAOYSA-N 0 0 430.913 4.710 50 0 IJAARN CCn1c(SCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)nnc1C1CC1 ZINC000009546646 569546325 /nfs/dbraw/zinc/54/63/25/569546325.db2.gz XRSQJIQZXUFTNY-UHFFFAOYSA-N 0 0 430.961 4.840 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000009546844 569546340 /nfs/dbraw/zinc/54/63/40/569546340.db2.gz ZTZAKMDVAMYQNC-CYBMUJFWSA-N 0 0 442.547 4.923 50 0 IJAARN Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2Cl)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559011 569546887 /nfs/dbraw/zinc/54/68/87/569546887.db2.gz BPTQUEIIPAGKRD-UHFFFAOYSA-N 0 0 446.956 4.960 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccc(C)c2)c1S(=O)(=O)c1ccccc1 ZINC000009559040 569546941 /nfs/dbraw/zinc/54/69/41/569546941.db2.gz RTTAAOVORUTBFF-UHFFFAOYSA-N 0 0 432.501 4.541 50 0 IJAARN CC(C)N(C(=O)CSc1nnc(Cc2cccs2)n1CCc1ccccc1)C(C)C ZINC000009562783 569547325 /nfs/dbraw/zinc/54/73/25/569547325.db2.gz WDLPTBFTVYURKR-UHFFFAOYSA-N 0 0 442.654 4.911 50 0 IJAARN CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)n1 ZINC000009572466 569547711 /nfs/dbraw/zinc/54/77/11/569547711.db2.gz YHOQMVODJQVJBM-UHFFFAOYSA-N 0 0 425.558 4.686 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000009578833 569548374 /nfs/dbraw/zinc/54/83/74/569548374.db2.gz AJSLWVJBGWCCMT-GFCCVEGCSA-N 0 0 446.454 4.505 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000009580987 569549075 /nfs/dbraw/zinc/54/90/75/569549075.db2.gz TWEMFVPCFMZRGM-MRXNPFEDSA-N 0 0 443.347 4.991 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000009580986 569549098 /nfs/dbraw/zinc/54/90/98/569549098.db2.gz TWEMFVPCFMZRGM-INIZCTEOSA-N 0 0 443.347 4.991 50 0 IJAARN Cn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000009582831 569549242 /nfs/dbraw/zinc/54/92/42/569549242.db2.gz UIXLMXODWFYRMO-FQEVSTJZSA-N 0 0 442.972 4.503 50 0 IJAARN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc32)cc1OC ZINC000009587819 569549837 /nfs/dbraw/zinc/54/98/37/569549837.db2.gz PVRIVOQASHKCJF-UHFFFAOYSA-N 0 0 428.488 4.761 50 0 IJAARN O=C(CONC(=O)c1ccc(Br)s1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009588444 569549901 /nfs/dbraw/zinc/54/99/01/569549901.db2.gz FUPQZIMWOHUVPS-UHFFFAOYSA-N 0 0 447.310 4.603 50 0 IJAARN O=C(Nc1cccc2nsnc21)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000009588703 569549922 /nfs/dbraw/zinc/54/99/22/569549922.db2.gz BKNBZOXBXIJYRP-UHFFFAOYSA-N 0 0 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569551395 /nfs/dbraw/zinc/55/13/95/569551395.db2.gz WWZWYGQOJYIMGN-UHFFFAOYSA-N 0 0 444.504 4.807 50 0 IJAARN Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)Nc3ccccc3C)[C@H]2c2cccs2)cc1 ZINC000009602119 569551644 /nfs/dbraw/zinc/55/16/44/569551644.db2.gz FOKFCRHEGSECSC-CYFREDJKSA-N 0 0 448.544 4.641 50 0 IJAARN COc1cc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc(OC)c1 ZINC000009609246 569552325 /nfs/dbraw/zinc/55/23/25/569552325.db2.gz GKIWWHFUNJJNFG-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCCc3ccccc3)c(C)n2n1 ZINC000009609734 569552400 /nfs/dbraw/zinc/55/24/00/569552400.db2.gz MBQHSHHZLUYATN-UHFFFAOYSA-N 0 0 442.563 4.703 50 0 IJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000009609948 569552485 /nfs/dbraw/zinc/55/24/85/569552485.db2.gz NWWYLEZJXNCTNH-UHFFFAOYSA-N 0 0 438.940 4.513 50 0 IJAARN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000009614910 569553161 /nfs/dbraw/zinc/55/31/61/569553161.db2.gz LDOWYSQPRHEYIP-UHFFFAOYSA-N 0 0 431.359 4.506 50 0 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CCOc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1 ZINC000009663716 569557247 /nfs/dbraw/zinc/55/72/47/569557247.db2.gz NLORGNBNEXFEJH-UHFFFAOYSA-N 0 0 426.469 4.560 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c4ccccc4sc3c2=O)cc1 ZINC000009664662 569557460 /nfs/dbraw/zinc/55/74/60/569557460.db2.gz GZVABQWJXXZKSG-UHFFFAOYSA-N 0 0 435.574 4.623 50 0 IJAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009664630 569557469 /nfs/dbraw/zinc/55/74/69/569557469.db2.gz YXLYGWSJNYWCGK-OAQYLSRUSA-N 0 0 449.511 4.591 50 0 IJAARN O=C(Nc1ncc(Cc2ccccc2)s1)c1cc2c(cc1Br)OCCO2 ZINC000009668238 569557917 /nfs/dbraw/zinc/55/79/17/569557917.db2.gz FPIHLFGJSHYXQX-UHFFFAOYSA-N 0 0 431.311 4.520 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000009670260 569558294 /nfs/dbraw/zinc/55/82/94/569558294.db2.gz MXPZPPPBQMTLTE-UHFFFAOYSA-N 0 0 426.831 4.641 50 0 IJAARN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1 ZINC000009670433 569558324 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COc1cccc(-n2cnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000009721301 569563367 /nfs/dbraw/zinc/56/33/67/569563367.db2.gz YDTAMTBPDSZSEM-UHFFFAOYSA-N 0 0 430.533 4.598 50 0 IJAARN COc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3cnc4ccc(C)cc4c32)cc1 ZINC000009725596 569563808 /nfs/dbraw/zinc/56/38/08/569563808.db2.gz RFRZMXQUQITJTP-UHFFFAOYSA-N 0 0 436.515 4.885 50 0 IJAARN CC(=O)c1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000009727055 569563928 /nfs/dbraw/zinc/56/39/28/569563928.db2.gz DYZJRKOSISVHFM-UHFFFAOYSA-N 0 0 429.451 4.525 50 0 IJAARN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC ZINC000009729813 569564352 /nfs/dbraw/zinc/56/43/52/569564352.db2.gz ANACNLXWJRUMBM-UHFFFAOYSA-N 0 0 449.326 4.851 50 0 IJAARN C[C@@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000009730943 569564490 /nfs/dbraw/zinc/56/44/90/569564490.db2.gz POOXIJZKFNDWKZ-OAHLLOKOSA-N 0 0 443.532 4.592 50 0 IJAARN COc1ccc(-c2c3c4n(c(COc5ccccc5)nn4c2C(C)=O)CCCC3)cc1OC ZINC000009737631 569564810 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CCCOc1ccc(NC(=O)COCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000009763277 569566669 /nfs/dbraw/zinc/56/66/69/569566669.db2.gz JIBKTDMAVBXDQL-UHFFFAOYSA-N 0 0 434.492 4.862 50 0 IJAARN CCCCCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2nc1SCc1ccncc1 ZINC000009775442 569566981 /nfs/dbraw/zinc/56/69/81/569566981.db2.gz ZSLJQRNOSAGOPB-UHFFFAOYSA-N 0 0 436.581 4.510 50 0 IJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000009778871 569567361 /nfs/dbraw/zinc/56/73/61/569567361.db2.gz BGYWGFFCWOMQDU-QGZVFWFLSA-N 0 0 446.601 4.990 50 0 IJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 ZINC000009783450 569567828 /nfs/dbraw/zinc/56/78/28/569567828.db2.gz XVLDSTUWZAIYDW-XMMPIXPASA-N 0 0 426.520 4.856 50 0 IJAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009785159 569567901 /nfs/dbraw/zinc/56/79/01/569567901.db2.gz NQTOAQOAKHGMPA-UHFFFAOYSA-N 0 0 426.464 4.797 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009794535 569568359 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Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3Cl)co2)n1 ZINC000009829242 569570030 /nfs/dbraw/zinc/57/00/30/569570030.db2.gz FTRTXGCBFQZCHH-UHFFFAOYSA-N 0 0 437.304 4.865 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc21 ZINC000009829781 569570185 /nfs/dbraw/zinc/57/01/85/569570185.db2.gz OHZHOWQGMFDRBU-UHFFFAOYSA-N 0 0 433.533 4.875 50 0 IJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3OC)nc21 ZINC000009829780 569570187 /nfs/dbraw/zinc/57/01/87/569570187.db2.gz ARLKDGYTVPLCKV-UHFFFAOYSA-N 0 0 435.505 4.564 50 0 IJAARN CC(C)c1ccc(N(C(=O)c2cccc(Br)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000009833948 569570441 /nfs/dbraw/zinc/57/04/41/569570441.db2.gz UDXKSTFMVVBMNF-IBGZPJMESA-N 0 0 434.355 4.530 50 0 IJAARN CC(=O)N(c1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)cs1)c1ccccc1 ZINC000009846628 569571059 /nfs/dbraw/zinc/57/10/59/569571059.db2.gz ITYCEPYACXZDOT-INIZCTEOSA-N 0 0 447.611 4.562 50 0 IJAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)c1 ZINC000009856152 569571564 /nfs/dbraw/zinc/57/15/64/569571564.db2.gz JBOJQPQWOWLZNP-UHFFFAOYSA-N 0 0 446.890 4.533 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1 ZINC000009856041 569571567 /nfs/dbraw/zinc/57/15/67/569571567.db2.gz WQCKHXUSBVTVHS-UHFFFAOYSA-N 0 0 440.499 4.578 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000009858341 569571710 /nfs/dbraw/zinc/57/17/10/569571710.db2.gz YCUGBIVOKHBTEZ-UHFFFAOYSA-N 0 0 445.592 4.853 50 0 IJAARN CCOc1ccc(-c2nc3c(c(SCC(N)=O)n2)Cc2c(ccc4ccccc42)O3)cc1 ZINC000009859604 569571787 /nfs/dbraw/zinc/57/17/87/569571787.db2.gz CYCIHGGBGGIKRZ-UHFFFAOYSA-N 0 0 443.528 4.969 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)Nc1ccc3c(c1)NC(=O)[C@H](C)O3)c2-n1cccc1 ZINC000009866159 569572238 /nfs/dbraw/zinc/57/22/38/569572238.db2.gz OIORDDNDQCOKOM-AWEZNQCLSA-N 0 0 432.505 4.676 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009871336 569572379 /nfs/dbraw/zinc/57/23/79/569572379.db2.gz NLLVGJGSVSRMTA-OAHLLOKOSA-N 0 0 439.610 4.598 50 0 IJAARN Cc1cc(C(=O)CSc2nnnn2-c2ccccc2C)c(C)n1CCc1cccs1 ZINC000009875710 569572617 /nfs/dbraw/zinc/57/26/17/569572617.db2.gz ONRBHOLQUUTRLR-UHFFFAOYSA-N 0 0 437.594 4.668 50 0 IJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(C)c1OC ZINC000009892152 569572957 /nfs/dbraw/zinc/57/29/57/569572957.db2.gz UTCKJDZWGCVMQB-UHFFFAOYSA-N 0 0 447.516 4.947 50 0 IJAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)c1C ZINC000009912713 569573259 /nfs/dbraw/zinc/57/32/59/569573259.db2.gz COJUZTBICBSIRJ-UHFFFAOYSA-N 0 0 429.549 4.601 50 0 IJAARN COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1OC ZINC000071279890 569573552 /nfs/dbraw/zinc/57/35/52/569573552.db2.gz DONPZVFIVGYLDJ-INIZCTEOSA-N 0 0 429.517 4.611 50 0 IJAARN O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1CCc1ccc(Cl)cc1 ZINC000009937665 569573840 /nfs/dbraw/zinc/57/38/40/569573840.db2.gz CVHDIKORTNDSNM-UHFFFAOYSA-N 0 0 425.315 4.761 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000009944929 569574067 /nfs/dbraw/zinc/57/40/67/569574067.db2.gz AZRWBKQRRGRLIO-UHFFFAOYSA-N 0 0 445.548 4.858 50 0 IJAARN O=C(c1cccs1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 ZINC000009948528 569574177 /nfs/dbraw/zinc/57/41/77/569574177.db2.gz QZIFFTZAEOZHMI-UHFFFAOYSA-N 0 0 425.464 4.531 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000009949653 569574277 /nfs/dbraw/zinc/57/42/77/569574277.db2.gz SBWRMETVCNSJOH-UHFFFAOYSA-N 0 0 436.606 4.744 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)o1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009951191 569574416 /nfs/dbraw/zinc/57/44/16/569574416.db2.gz CHNNGQHDMXHMKV-KRWDZBQOSA-N 0 0 431.539 4.997 50 0 IJAARN COc1ccc(-c2cc3ncn(Cc4cc(Cl)c5c(c4)OCCO5)c(=O)c3s2)cc1 ZINC000009952132 569574590 /nfs/dbraw/zinc/57/45/90/569574590.db2.gz CUOASQILTGTGJM-UHFFFAOYSA-N 0 0 440.908 4.607 50 0 IJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000071326447 569574879 /nfs/dbraw/zinc/57/48/79/569574879.db2.gz SRCQFZUEZAYHTA-UHFFFAOYSA-N 0 0 448.379 4.859 50 0 IJAARN COc1ccc(CCNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc1OC ZINC000071326636 569574934 /nfs/dbraw/zinc/57/49/34/569574934.db2.gz KMYXOMCEPRKDEH-UHFFFAOYSA-N 0 0 425.554 4.802 50 0 IJAARN O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1CSc1nc2ccccc2o1 ZINC000009960234 569575368 /nfs/dbraw/zinc/57/53/68/569575368.db2.gz WETGSILAGUAYNF-UHFFFAOYSA-N 0 0 449.513 4.547 50 0 IJAARN COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009984982 569576642 /nfs/dbraw/zinc/57/66/42/569576642.db2.gz ZAEAGTFFLQZWHP-NRFANRHFSA-N 0 0 434.496 4.887 50 0 IJAARN COc1ccc2oc(C(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c(C)c2c1 ZINC000009985142 569576714 /nfs/dbraw/zinc/57/67/14/569576714.db2.gz CPYDCWQJIHIYBN-UHFFFAOYSA-N 0 0 442.777 4.613 50 0 IJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000010037293 569577468 /nfs/dbraw/zinc/57/74/68/569577468.db2.gz UXOWOKILYRPQNP-HXUWFJFHSA-N 0 0 444.622 4.599 50 0 IJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(N(CC)CC)cc2)n1-c1ccccc1 ZINC000010072959 569577655 /nfs/dbraw/zinc/57/76/55/569577655.db2.gz GDSQDEYCWMTXAO-SFHVURJKSA-N 0 0 437.613 4.787 50 0 IJAARN COc1ccc2nc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)sc2c1 ZINC000010166294 569578245 /nfs/dbraw/zinc/57/82/45/569578245.db2.gz DKQYUCAOVWVQDU-UHFFFAOYSA-N 0 0 428.366 4.636 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(cccc2F)s1 ZINC000010187503 569578598 /nfs/dbraw/zinc/57/85/98/569578598.db2.gz OFKKRTRCXOMVEI-UHFFFAOYSA-N 0 0 440.521 4.686 50 0 IJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2cccnc2n(Cc2ccccc2F)c1=O ZINC000010188150 569578827 /nfs/dbraw/zinc/57/88/27/569578827.db2.gz VWFWTWKCYFVNPV-UHFFFAOYSA-N 0 0 441.384 4.855 50 0 IJAARN Fc1cccc(-n2c(SCc3ccccc3C(F)(F)F)nnc2N2CCOCC2)c1 ZINC000010200963 569578915 /nfs/dbraw/zinc/57/89/15/569578915.db2.gz MMAZQBORGXGNFL-UHFFFAOYSA-N 0 0 438.450 4.554 50 0 IJAARN Cc1nc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2cccnc2)sc1C ZINC000010233050 569579433 /nfs/dbraw/zinc/57/94/33/569579433.db2.gz ZXMKSKDTIIHNIY-SFHVURJKSA-N 0 0 437.908 4.973 50 0 IJAARN Cc1c(C(=O)NCc2ccc(C(C)C)cc2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071768662 569580775 /nfs/dbraw/zinc/58/07/75/569580775.db2.gz RBXCOVOMFORLSG-UHFFFAOYSA-N 0 0 442.523 4.557 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000010327560 569581026 /nfs/dbraw/zinc/58/10/26/569581026.db2.gz CALTXBVNPXKIER-UHFFFAOYSA-N 0 0 426.925 4.652 50 0 IJAARN O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(Br)cc2s1 ZINC000010381562 569581645 /nfs/dbraw/zinc/58/16/45/569581645.db2.gz DKIWOIKGUCYURP-UHFFFAOYSA-N 0 0 431.315 4.585 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)nc2ccccc21 ZINC000010392381 569581898 /nfs/dbraw/zinc/58/18/98/569581898.db2.gz ZOVUWUQYCVAVOS-UHFFFAOYSA-N 0 0 447.470 4.741 50 0 IJAARN COc1cccc(CN(C(=O)CSc2nncs2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000010416824 569581969 /nfs/dbraw/zinc/58/19/69/569581969.db2.gz UVEWUESGXRWICV-UHFFFAOYSA-N 0 0 429.611 4.636 50 0 IJAARN Cc1cc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)ccc1Br ZINC000010433564 569582093 /nfs/dbraw/zinc/58/20/93/569582093.db2.gz HJWNSEPUEOEARJ-UHFFFAOYSA-N 0 0 448.320 4.773 50 0 IJAARN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000071831000 569582095 /nfs/dbraw/zinc/58/20/95/569582095.db2.gz HBXSHWUEHQBGEK-KRWDZBQOSA-N 0 0 428.305 4.826 50 0 IJAARN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000010433967 569582162 /nfs/dbraw/zinc/58/21/62/569582162.db2.gz KXOMQSQASJOGAI-JOCHJYFZSA-N 0 0 433.577 4.974 50 0 IJAARN COc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1Cl ZINC000010434984 569582166 /nfs/dbraw/zinc/58/21/66/569582166.db2.gz RYEUDCWCOZCSNM-HNNXBMFYSA-N 0 0 430.835 4.809 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000010516880 569582691 /nfs/dbraw/zinc/58/26/91/569582691.db2.gz LVWDHKYTLJVTGO-UHFFFAOYSA-N 0 0 426.325 4.643 50 0 IJAARN O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1 ZINC000009109585 569583589 /nfs/dbraw/zinc/58/35/89/569583589.db2.gz NFDLAZKDEWAGDB-UHFFFAOYSA-N 0 0 436.331 4.839 50 0 IJAARN Cc1nc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)sc1C(=O)OCC(C)C ZINC000009332848 569584790 /nfs/dbraw/zinc/58/47/90/569584790.db2.gz ZRICNIZDDBYPDG-UHFFFAOYSA-N 0 0 434.901 4.585 50 0 IJAARN O=S(=O)(c1ccc(Br)cc1)N(CCc1cccs1)Cc1ccco1 ZINC000077184028 569585851 /nfs/dbraw/zinc/58/58/51/569585851.db2.gz GOYXMQKPERNZGT-UHFFFAOYSA-N 0 0 426.357 4.537 50 0 IJAARN COc1ccc(-c2cc(N3CCC[C@H](C(=O)Nc4cccc5cccnc54)C3)ncn2)cc1 ZINC000077191941 569585978 /nfs/dbraw/zinc/58/59/78/569585978.db2.gz CFTGCXDLOQHBRZ-FQEVSTJZSA-N 0 0 439.519 4.556 50 0 IJAARN O=C(NCc1ccccc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000033340104 569587449 /nfs/dbraw/zinc/58/74/49/569587449.db2.gz HSUCBHRRAMLMBH-QNGOZBTKSA-N 0 0 435.321 4.536 50 0 IJAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000000633430 193865028 /nfs/dbraw/zinc/86/50/28/193865028.db2.gz WSEZWDSYYPQFQC-UHFFFAOYSA-N 0 0 445.544 4.824 50 0 IJAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000000645912 193869847 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CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccccc1OCC ZINC000000710778 132229637 /nfs/dbraw/zinc/22/96/37/132229637.db2.gz YTKWIWPHAHAQKM-UHFFFAOYSA-N 0 0 439.483 4.722 50 0 IJAARN O=C(c1ccc(-n2nncc2-c2cccs2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000009635528 132234497 /nfs/dbraw/zinc/23/44/97/132234497.db2.gz RPSHZVRUIACKOM-UHFFFAOYSA-N 0 0 449.967 4.612 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccc(F)c(F)c4)cc32)cc1 ZINC000009738571 132240320 /nfs/dbraw/zinc/24/03/20/132240320.db2.gz VUPMANAKZJHFFV-UHFFFAOYSA-N 0 0 442.487 4.667 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000010220749 132243820 /nfs/dbraw/zinc/24/38/20/132243820.db2.gz OINIICCPIYUDHQ-UHFFFAOYSA-N 0 0 426.925 4.734 50 0 IJAARN O=C(COc1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1)N1CCCCC1 ZINC000002234574 132249612 /nfs/dbraw/zinc/24/96/12/132249612.db2.gz KNODQQRIIOFEJZ-UHFFFAOYSA-N 0 0 430.552 4.678 50 0 IJAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002315983 132252006 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CCc1ccc(-n2c(=O)c3ccccc3nc2N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000008596793 132285310 /nfs/dbraw/zinc/28/53/10/132285310.db2.gz AQYWXRXUKCHNQC-UHFFFAOYSA-N 0 0 444.966 4.928 50 0 aggregator IJAARN Cc1cccc(-c2nc3c4ccccc4nc(N4CCN(c5ccccc5F)CC4)n3n2)c1 ZINC000008604780 132287054 /nfs/dbraw/zinc/28/70/54/132287054.db2.gz MKKPPRSBAWYQTJ-UHFFFAOYSA-N 0 0 438.510 4.719 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2C[C@H]3CCCN3c3ccccc32)cc1 ZINC000008610267 132288000 /nfs/dbraw/zinc/28/80/00/132288000.db2.gz OFVYUGVPOHDUPO-JOCHJYFZSA-N 0 0 444.510 4.777 50 0 aggregator IJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 ZINC000008718486 132291568 /nfs/dbraw/zinc/29/15/68/132291568.db2.gz QNUKEQXFUIPILO-WZONZLPQSA-N 0 0 434.517 4.908 50 0 IJAARN COc1cc2c(cc1NC(=O)[C@@H](C)Nc1ccc(N3CCOCC3)cc1)oc1ccccc12 ZINC000008719991 132291832 /nfs/dbraw/zinc/29/18/32/132291832.db2.gz PEVQOWZCRJIEJD-QGZVFWFLSA-N 0 0 445.519 4.870 50 0 IJAARN O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000008965724 132298989 /nfs/dbraw/zinc/29/89/89/132298989.db2.gz LGIWCEVRPJFVEM-NRFANRHFSA-N 0 0 428.517 4.526 50 0 IJAARN Cc1ccc(Nc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc3nccnc32)c(C)c1 ZINC000009074712 132302069 /nfs/dbraw/zinc/30/20/69/132302069.db2.gz BQPZYUXCSTUUIY-UHFFFAOYSA-N 0 0 445.958 4.760 50 0 IJAARN CSc1cccc(NC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)c1 ZINC000009114923 132303385 /nfs/dbraw/zinc/30/33/85/132303385.db2.gz FQPXKQPKACOHOP-QFIPXVFZSA-N 0 0 433.533 4.689 50 0 IJAARN O=C(Cn1c(SCc2ccc(F)cc2)nc2cccnc21)N1CCCc2ccccc21 ZINC000009151371 132306800 /nfs/dbraw/zinc/30/68/00/132306800.db2.gz ZVWDNQQZQNCIET-UHFFFAOYSA-N 0 0 432.524 4.842 50 0 IJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009223474 132309687 /nfs/dbraw/zinc/30/96/87/132309687.db2.gz FXJJBJHUZMXRJW-GOSISDBHSA-N 0 0 436.924 4.870 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cc(C)cc1C ZINC000009250396 132310797 /nfs/dbraw/zinc/31/07/97/132310797.db2.gz LKJBALCBURTJMS-UHFFFAOYSA-N 0 0 434.561 4.989 50 0 IJAARN C[C@H](Sc1nc2cccc3cccc([nH]1)c32)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009337425 132313951 /nfs/dbraw/zinc/31/39/51/132313951.db2.gz KXSRHMHFTYMOOR-INIZCTEOSA-N 0 0 432.549 4.672 50 0 IJAARN Cc1ccc2c(c1)N(C(=O)N1CCC(C(=O)N[C@H]3CCCc4ccccc43)CC1)C[C@@H](C)O2 ZINC000009405921 132315289 /nfs/dbraw/zinc/31/52/89/132315289.db2.gz FWKSKXGHNWLEDI-XXBNENTESA-N 0 0 447.579 4.608 50 0 IJAARN CCCOc1ccc(CNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)cc1 ZINC000009406293 132315625 /nfs/dbraw/zinc/31/56/25/132315625.db2.gz XDTBLAXXJAXMQM-UHFFFAOYSA-N 0 0 442.563 4.809 50 0 IJAARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 ZINC000009410417 132315942 /nfs/dbraw/zinc/31/59/42/132315942.db2.gz MNKXZELRLBDQRL-DHZHZOJOSA-N 0 0 435.911 4.547 50 0 IJAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2s1 ZINC000009422371 132316506 /nfs/dbraw/zinc/31/65/06/132316506.db2.gz ATEDGKXBEZQJPE-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN COc1cc(OC)c(NC(=O)c2sc3ncnc(N4CCCCC4)c3c2C)cc1Cl ZINC000009499506 132319592 /nfs/dbraw/zinc/31/95/92/132319592.db2.gz DPPGYPMFGQVRIX-UHFFFAOYSA-N 0 0 446.960 4.913 50 0 IJAARN O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1c(F)cccc1Cl ZINC000009569404 132321805 /nfs/dbraw/zinc/32/18/05/132321805.db2.gz OXUJYOLGHCXEGJ-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000009693884 132326470 /nfs/dbraw/zinc/32/64/70/132326470.db2.gz CASKEASIHXMZTF-PMERELPUSA-N 0 0 442.968 4.512 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)C=Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000009711798 132326922 /nfs/dbraw/zinc/32/69/22/132326922.db2.gz OKTYMVRMPIVQSD-YCRREMRBSA-N 0 0 436.861 4.923 50 0 IJAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCc3cccs3)c2)C(=O)N1 ZINC000009941489 132332423 /nfs/dbraw/zinc/33/24/23/132332423.db2.gz KRNAJVBFRABWDH-HYBUGGRVSA-N 0 0 433.533 4.756 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N1CCSc2ccccc21 ZINC000010031966 132334130 /nfs/dbraw/zinc/33/41/30/132334130.db2.gz JTYCFRUQNFVZMN-UHFFFAOYSA-N 0 0 448.573 4.817 50 0 IJAARN CCc1ccc([C@@H](NC(=O)CCN2c3ccccc3O[C@H](C)C2=O)c2cccs2)cc1 ZINC000010447956 132335768 /nfs/dbraw/zinc/33/57/68/132335768.db2.gz OVUNNWSTDVWPFY-MZNJEOGPSA-N 0 0 434.561 4.720 50 0 IJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1SC ZINC000011119252 132337342 /nfs/dbraw/zinc/33/73/42/132337342.db2.gz DTFCKYLCEQNRLR-UHFFFAOYSA-N 0 0 438.574 4.785 50 0 IJAARN O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(Br)cc1Cl ZINC000012978942 132341314 /nfs/dbraw/zinc/34/13/14/132341314.db2.gz WXNLBBZGMOGALO-UHFFFAOYSA-N 0 0 425.735 4.570 50 0 IJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013113128 132344819 /nfs/dbraw/zinc/34/48/19/132344819.db2.gz JLLFJEQMFHXLAJ-CYBMUJFWSA-N 0 0 428.838 4.601 50 0 IJAARN CCCc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000013323488 132346521 /nfs/dbraw/zinc/34/65/21/132346521.db2.gz WXBHNMSJMDLFAW-QGZVFWFLSA-N 0 0 434.411 4.945 50 0 IJAARN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(N2CCN(C)CC2)n1)CCC4 ZINC000013513164 132349203 /nfs/dbraw/zinc/34/92/03/132349203.db2.gz PJOFLGVQCQZXIS-UHFFFAOYSA-N 0 0 447.633 4.869 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1C ZINC000013566140 132350395 /nfs/dbraw/zinc/35/03/95/132350395.db2.gz DTTGIBCBSBWYSF-UHFFFAOYSA-N 0 0 437.927 4.765 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000013583852 132351145 /nfs/dbraw/zinc/35/11/45/132351145.db2.gz WTUWSXGXTGXMDK-UHFFFAOYSA-N 0 0 444.915 4.873 50 0 IJAARN O=C(CSc1ccc2ccccc2c1)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000014128651 132356109 /nfs/dbraw/zinc/35/61/09/132356109.db2.gz SLDMXRAFOIBOJT-DEOSSOPVSA-N 0 0 446.572 4.739 50 0 IJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(OC)c2)N2NC=NC2=N3)cc1 ZINC000000635919 518160883 /nfs/dbraw/zinc/16/08/83/518160883.db2.gz FPQUAGOGEBQRCM-LOSJGSFVSA-N 0 0 438.487 4.508 50 0 IJAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC2)c(F)c1 ZINC000012554370 518348898 /nfs/dbraw/zinc/34/88/98/518348898.db2.gz WWOVZDOADLAWIU-UHFFFAOYSA-N 0 0 441.503 4.562 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)cc1 ZINC000020565020 518380344 /nfs/dbraw/zinc/38/03/44/518380344.db2.gz TUBVSBMHERBILE-UHFFFAOYSA-N 0 0 432.505 4.681 50 0 IJAARN CC(=O)c1ccc(OCCCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000012598858 518396457 /nfs/dbraw/zinc/39/64/57/518396457.db2.gz FQCLNJPSLDWOJD-VWLOTQADSA-N 0 0 425.525 4.723 50 0 IJAARN CC(=O)c1ccc(OC[C@H](O)Cn2c3ccccc3nc2[C@@H](C)Oc2ccccc2)cc1 ZINC000012551519 518397193 /nfs/dbraw/zinc/39/71/93/518397193.db2.gz CRNPRMDZKNVWFO-TZIWHRDSSA-N 0 0 430.504 4.819 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000012923980 518555354 /nfs/dbraw/zinc/55/53/54/518555354.db2.gz BRQSGHHSCXFTOQ-UHFFFAOYSA-N 0 0 434.492 4.685 50 0 IJAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 ZINC000022869364 519041377 /nfs/dbraw/zinc/04/13/77/519041377.db2.gz CJUGRFOGUCESEY-GOSISDBHSA-N 0 0 434.561 4.862 50 0 IJAARN CC(C)(C)c1ccc([C@@H](CC(=O)NCCCN2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035893091 519047635 /nfs/dbraw/zinc/04/76/35/519047635.db2.gz XTHBBSVSBDEHJG-XMMPIXPASA-N 0 0 447.623 4.826 50 0 IJAARN CC(C)N(C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000012590642 519559152 /nfs/dbraw/zinc/55/91/52/519559152.db2.gz OXJULXWZKWLOEI-GOSISDBHSA-N 0 0 442.610 4.719 50 0 IJAARN CC(C)N(C(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(C)C ZINC000012555344 519571821 /nfs/dbraw/zinc/57/18/21/519571821.db2.gz GMKVBZJBXAMDCZ-MRXNPFEDSA-N 0 0 436.025 4.647 50 0 IJAARN CC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OCCc2scnc2C)C1 ZINC000012203380 519603715 /nfs/dbraw/zinc/60/37/15/519603715.db2.gz DICSZEJHZPSXTK-UHFFFAOYSA-N 0 0 428.579 4.851 50 0 IJAARN CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc21 ZINC000012562233 519632543 /nfs/dbraw/zinc/63/25/43/519632543.db2.gz WTCDLDLDAUVURR-NSHDSACASA-N 0 0 425.838 4.707 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021864914 519653294 /nfs/dbraw/zinc/65/32/94/519653294.db2.gz VJRJMPRQYPEKND-OSWQYVSFSA-N 0 0 425.573 4.704 50 0 IJAARN CC(C)CCOc1cccc(C(=O)NC(=S)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000012137328 519675343 /nfs/dbraw/zinc/67/53/43/519675343.db2.gz ANTOSBQMJULIHO-JOCHJYFZSA-N 0 0 442.581 4.796 50 0 IJAARN CC(C)CCn1c(SCC(=O)OC(C)(C)C)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114600 519700646 /nfs/dbraw/zinc/70/06/46/519700646.db2.gz MOYXACUAEVOJSE-UHFFFAOYSA-N 0 0 441.597 4.882 50 0 IJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2nccs2)cc1 ZINC000015864399 519701709 /nfs/dbraw/zinc/70/17/09/519701709.db2.gz JFQIDZHDOIIXCF-UHFFFAOYSA-N 0 0 431.521 4.823 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000033012852 519726056 /nfs/dbraw/zinc/72/60/56/519726056.db2.gz CKWSRFFIPBGOTD-UHFFFAOYSA-N 0 0 428.448 4.526 50 0 IJAARN CC(C)OC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccccc1Cl ZINC000012856461 519742521 /nfs/dbraw/zinc/74/25/21/519742521.db2.gz UNQQRZUSOGHIGC-INIZCTEOSA-N 0 0 427.909 4.561 50 0 IJAARN CC(C)c1cc(=O)oc2cc(OCc3nnc(-c4ccc(Br)o4)o3)ccc21 ZINC000021193077 519831116 /nfs/dbraw/zinc/83/11/16/519831116.db2.gz RTDZJCQDIMHZMI-UHFFFAOYSA-N 0 0 431.242 4.901 50 0 IJAARN CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000012383088 519844921 /nfs/dbraw/zinc/84/49/21/519844921.db2.gz JQJALPSANQCUJU-UHFFFAOYSA-N 0 0 426.513 4.783 50 0 IJAARN CC(C)c1csc(CN2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000012597597 519853235 /nfs/dbraw/zinc/85/32/35/519853235.db2.gz BFIIQFBCPOFQGH-QGZVFWFLSA-N 0 0 432.033 4.980 50 0 IJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1cc(Br)ccc1OC ZINC000020853720 520128022 /nfs/dbraw/zinc/12/80/22/520128022.db2.gz HPSQEHMZPKLGBP-UHFFFAOYSA-N 0 0 431.286 4.638 50 0 IJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(I)cc1 ZINC000033292625 520226215 /nfs/dbraw/zinc/22/62/15/520226215.db2.gz RJAORTMQRMVFMS-UHFFFAOYSA-N 0 0 447.276 4.853 50 0 IJAARN CCCOc1ccc(-c2nc(C(=O)NCCc3ccccc3OC)cs2)cc1OC ZINC000034717345 520316196 /nfs/dbraw/zinc/31/61/96/520316196.db2.gz BZROTVIYCXZPES-UHFFFAOYSA-N 0 0 426.538 4.589 50 0 IJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(OC)c(Br)c1 ZINC000012882900 520355336 /nfs/dbraw/zinc/35/53/36/520355336.db2.gz PWXDUZQJEBMPLG-UHFFFAOYSA-N 0 0 439.737 4.520 50 0 IJAARN CCCOc1ccc(NC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1OCCC ZINC000012925641 520392430 /nfs/dbraw/zinc/39/24/30/520392430.db2.gz CGQVYHRQBYJYMU-UHFFFAOYSA-N 0 0 433.936 4.986 50 0 IJAARN CCCCN(CCCC)c1nc(F)c(F)c(S(=O)(=O)CCNc2ccccc2)c1F ZINC000024617006 520499284 /nfs/dbraw/zinc/49/92/84/520499284.db2.gz KTHNURHGPIYWTJ-UHFFFAOYSA-N 0 0 443.535 4.791 50 0 IJAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NCc3cccc4ccccc43)cc21 ZINC000022504142 520526300 /nfs/dbraw/zinc/52/63/00/520526300.db2.gz BFLPCMLXKNTDIB-UHFFFAOYSA-N 0 0 437.565 4.654 50 0 IJAARN CCCSCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021864034 520564141 /nfs/dbraw/zinc/56/41/41/520564141.db2.gz XPNKHWDJALGBIN-DEOSSOPVSA-N 0 0 443.613 4.555 50 0 IJAARN CC1(C)C[C@]1(CNC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccccc1 ZINC000012591425 520573336 /nfs/dbraw/zinc/57/33/36/520573336.db2.gz XPZHBDBYOQKMNY-SANMLTNESA-N 0 0 428.536 4.558 50 0 IJAARN CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000012746939 520593188 /nfs/dbraw/zinc/59/31/88/520593188.db2.gz VCQGZRGTXHVWRE-IENJSVCTSA-N 0 0 442.943 4.638 50 0 IJAARN CCOc1cc(/C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC ZINC000035202349 520615669 /nfs/dbraw/zinc/61/56/69/520615669.db2.gz OXXOPCPTGRYZHD-KQWNVCNZSA-N 0 0 434.517 4.942 50 0 IJAARN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000035925861 520675372 /nfs/dbraw/zinc/67/53/72/520675372.db2.gz HBTFIRBXOPSKSE-LJQANCHMSA-N 0 0 446.599 4.558 50 0 IJAARN CCOC(=O)CNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)CCCC3 ZINC000033265479 520782214 /nfs/dbraw/zinc/78/22/14/520782214.db2.gz FQUGVPJFFRQLCN-QHCPKHFHSA-N 0 0 449.576 4.595 50 0 IJAARN CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2OC2CCCC2)NC(=O)N1 ZINC000016361953 520806941 /nfs/dbraw/zinc/80/69/41/520806941.db2.gz ZJUAOKORLFMQCX-NRFANRHFSA-N 0 0 425.916 4.928 50 0 IJAARN CCOc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(OCC)cc3)n2)cc1 ZINC000021169016 520826978 /nfs/dbraw/zinc/82/69/78/520826978.db2.gz LLEJTOLKSUWVGJ-UHFFFAOYSA-N 0 0 437.525 4.715 50 0 IJAARN CCOC(=O)C[C@@H](NC(=O)NCc1cccn1Cc1cc(C)ccc1C)c1ccccc1 ZINC000020995821 520840971 /nfs/dbraw/zinc/84/09/71/520840971.db2.gz XRONJAXIVGGKNR-XMMPIXPASA-N 0 0 433.552 4.647 50 0 IJAARN CCOc1ccc(/C=C(\C(=O)N2CCC(Cc3ccccc3)CC2)n2ccccc2=O)cc1 ZINC000012464521 520842671 /nfs/dbraw/zinc/84/26/71/520842671.db2.gz GPUCRBSSXKFNLY-YYADALCUSA-N 0 0 442.559 4.726 50 0 IJAARN CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012566015 520862785 /nfs/dbraw/zinc/86/27/85/520862785.db2.gz AADWEOCWSOIPHT-IVKJLDKCSA-N 0 0 442.419 4.731 50 0 IJAARN CCCCOc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012624809 520873187 /nfs/dbraw/zinc/87/31/87/520873187.db2.gz ZJPQOZYPGZAGCC-UHFFFAOYSA-N 0 0 430.810 4.728 50 0 IJAARN CCCCOc1ccc([C@@H](C)NC(=O)CCN2N=C(c3ccc(C)cc3)CCC2=O)cc1 ZINC000020726265 520892594 /nfs/dbraw/zinc/89/25/94/520892594.db2.gz HLXVCCAOTHDBOD-HXUWFJFHSA-N 0 0 435.568 4.768 50 0 IJAARN CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(C(C)C)cc3)N2C1=O ZINC000021643725 520893891 /nfs/dbraw/zinc/89/38/91/520893891.db2.gz VFXIPWXRKLLWEE-FQEVSTJZSA-N 0 0 434.565 4.941 50 0 IJAARN CCOc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)NC2CCCCCCC2)cc1OCC ZINC000020685202 520946369 /nfs/dbraw/zinc/94/63/69/520946369.db2.gz OKKCPCLQKOPKNU-AREMUKBSSA-N 0 0 444.616 4.637 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1OCC ZINC000012772024 520952826 /nfs/dbraw/zinc/95/28/26/520952826.db2.gz FTWNYFIJLXPIAC-UHFFFAOYSA-N 0 0 446.547 4.958 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cnc(SC)nc2-c2ccccc2)cc1OCC ZINC000015681115 520954254 /nfs/dbraw/zinc/95/42/54/520954254.db2.gz JNTXOIIDLYBONA-UHFFFAOYSA-N 0 0 437.565 4.635 50 0 IJAARN CCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000012411836 521035276 /nfs/dbraw/zinc/03/52/76/521035276.db2.gz CSASVGCVSIKPNN-RUZDIDTESA-N 0 0 448.519 4.704 50 0 IJAARN CCOc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526485 521041733 /nfs/dbraw/zinc/04/17/33/521041733.db2.gz FWNZGZOICVZWMP-SANMLTNESA-N 0 0 449.551 4.891 50 0 IJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(OC)cc4)n3)c2)cc1 ZINC000033327409 521064257 /nfs/dbraw/zinc/06/42/57/521064257.db2.gz QQERUANPGCSTEP-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)Cc1ccco1 ZINC000036044927 521087586 /nfs/dbraw/zinc/08/75/86/521087586.db2.gz HYHJOJYEBFVJNU-UHFFFAOYSA-N 0 0 442.519 4.818 50 0 IJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)CC(C)C ZINC000036049377 521087681 /nfs/dbraw/zinc/08/76/81/521087681.db2.gz VZJUALOCPMJCFP-UHFFFAOYSA-N 0 0 432.568 4.989 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(C(C)=O)c3)cc2)cc1 ZINC000012534059 521116207 /nfs/dbraw/zinc/11/62/07/521116207.db2.gz PSOVGZLTUGMNLK-UHFFFAOYSA-N 0 0 431.492 4.591 50 0 IJAARN CCCC[C@H](CC)C(=O)Nc1ccc([C@@H]2NC(=S)N(CC)C(CC)=C2C(=O)OC)cc1 ZINC000035729589 521162366 /nfs/dbraw/zinc/16/23/66/521162366.db2.gz WKPPEIBDUWUJHX-KKSFZXQISA-N 0 0 445.629 4.930 50 0 IJAARN CCOC(=O)[C@@](NC(=O)Nc1ccccc1C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC000012412348 521174109 /nfs/dbraw/zinc/17/41/09/521174109.db2.gz XQUWEGZKOVVYQA-KRWDZBQOSA-N 0 0 434.336 4.848 50 0 IJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(OC)c3)sc2c1 ZINC000033271688 521299025 /nfs/dbraw/zinc/29/90/25/521299025.db2.gz NHVUJJLKCTVFLZ-QGZVFWFLSA-N 0 0 434.521 4.672 50 0 IJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035866337 521313271 /nfs/dbraw/zinc/31/32/71/521313271.db2.gz PONLKFUHAUKZSJ-INIZCTEOSA-N 0 0 428.646 4.853 50 0 IJAARN CCCCc1nn2c(nc(CSCC(=O)Nc3cccc4ccccc43)cc2=O)s1 ZINC000021042172 521314158 /nfs/dbraw/zinc/31/41/58/521314158.db2.gz OFHCEXQBTTYQEE-UHFFFAOYSA-N 0 0 438.578 4.519 50 0 IJAARN CCOc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C(=O)CC)C(C)C)c1 ZINC000036042518 521314735 /nfs/dbraw/zinc/31/47/35/521314735.db2.gz NOXNIEUPMBIMAP-UHFFFAOYSA-N 0 0 434.540 4.524 50 0 IJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 ZINC000033122048 521336318 /nfs/dbraw/zinc/33/63/18/521336318.db2.gz WYDSGCVSVAUZRF-UHFFFAOYSA-N 0 0 447.564 4.726 50 0 IJAARN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)CCc2scnc2C)C1 ZINC000012386612 521353303 /nfs/dbraw/zinc/35/33/03/521353303.db2.gz SOGSHBPGQOUKOU-QQRRWSATSA-N 0 0 426.582 4.660 50 0 IJAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2csc(C(C)=O)c2)C1 ZINC000012575790 521356097 /nfs/dbraw/zinc/35/60/97/521356097.db2.gz LYPBSUSUMPGSNL-QFIPXVFZSA-N 0 0 433.957 4.632 50 0 IJAARN CCCc1cc(C(=O)OCC)nn1C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000022653825 521363663 /nfs/dbraw/zinc/36/36/63/521363663.db2.gz YFIFDNZFLQYQGS-UHFFFAOYSA-N 0 0 437.462 4.508 50 0 IJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)[C@H](OC(C)=O)c1ccccc1 ZINC000000719617 521371616 /nfs/dbraw/zinc/37/16/16/521371616.db2.gz ZUFJYPJJIHNMER-LJQANCHMSA-N 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ZINC000021881953 521507640 /nfs/dbraw/zinc/50/76/40/521507640.db2.gz QVVFUUQLOMNXOQ-UHFFFAOYSA-N 0 0 439.581 4.666 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000020726047 521508513 /nfs/dbraw/zinc/50/85/13/521508513.db2.gz NVWPXMXHYBLFHO-SFHVURJKSA-N 0 0 438.871 4.552 50 0 IJAARN CCOc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012800343 521527475 /nfs/dbraw/zinc/52/74/75/521527475.db2.gz MELYLUHCDNJTTE-UHFFFAOYSA-N 0 0 433.533 4.861 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035447761 521538341 /nfs/dbraw/zinc/53/83/41/521538341.db2.gz BGSDWCRKFXLTEI-UHFFFAOYSA-N 0 0 447.514 4.770 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869199 521550647 /nfs/dbraw/zinc/55/06/47/521550647.db2.gz BVMMJYDMMWJLKR-UHFFFAOYSA-N 0 0 431.521 4.606 50 0 IJAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1 ZINC000012609486 521556576 /nfs/dbraw/zinc/55/65/76/521556576.db2.gz WOUOEOMPRHBFSM-CQSZACIVSA-N 0 0 443.598 4.866 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(CC)cc1)S2 ZINC000020445881 521573318 /nfs/dbraw/zinc/57/33/18/521573318.db2.gz VNYVDCVYVAETGH-UXHICEINSA-N 0 0 441.988 4.844 50 0 IJAARN CCCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000020445837 521573509 /nfs/dbraw/zinc/57/35/09/521573509.db2.gz OERDQORNCQQOCY-VQTJNVASSA-N 0 0 441.988 4.899 50 0 IJAARN CCOC(=O)c1sc2nc(CN(C)Cc3cccc(Cl)c3Cl)nc(N)c2c1C ZINC000012521485 521618886 /nfs/dbraw/zinc/61/88/86/521618886.db2.gz MYQAGMVLRRGAJO-UHFFFAOYSA-N 0 0 439.368 4.697 50 0 IJAARN CCCn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O ZINC000012801176 521633142 /nfs/dbraw/zinc/63/31/42/521633142.db2.gz BAAURCSICZJFIS-DUXBZUBYSA-N 0 0 439.625 4.620 50 0 IJAARN CCCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2)c1=O ZINC000033298519 521639791 /nfs/dbraw/zinc/63/97/91/521639791.db2.gz QMYWZNBRKUYDMX-UHFFFAOYSA-N 0 0 440.503 4.684 50 0 IJAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000035944101 521682015 /nfs/dbraw/zinc/68/20/15/521682015.db2.gz SGKMJHQLUULIOR-UHFFFAOYSA-N 0 0 435.524 4.659 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(F)c(F)cc1Cl ZINC000012822433 521694174 /nfs/dbraw/zinc/69/41/74/521694174.db2.gz YTBHHWLHDSGMLF-UHFFFAOYSA-N 0 0 426.250 4.561 50 0 IJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000012869952 521695193 /nfs/dbraw/zinc/69/51/93/521695193.db2.gz UEBNCLMYFYMBRV-UHFFFAOYSA-N 0 0 444.326 4.567 50 0 IJAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)Nc3ccccc3C)cc2)C(C(=O)OC)=C1C ZINC000035711942 521701357 /nfs/dbraw/zinc/70/13/57/521701357.db2.gz ZLYUQZVRIUYYKQ-OAQYLSRUSA-N 0 0 436.512 4.562 50 0 IJAARN CCCN1C(=O)c2cc3ccc(OC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903466 521703434 /nfs/dbraw/zinc/70/34/34/521703434.db2.gz GWWJIHMCVZKMDF-VWLOTQADSA-N 0 0 425.573 4.504 50 0 IJAARN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)c1ccccc1)CC2 ZINC000034708225 521745724 /nfs/dbraw/zinc/74/57/24/521745724.db2.gz WTAMVORCMIVZKN-RXFWQSSRSA-N 0 0 442.559 4.686 50 0 IJAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(OCC)cc3)on1)CCCC2 ZINC000011915176 521747058 /nfs/dbraw/zinc/74/70/58/521747058.db2.gz IMUWHYCGOBZWRD-UHFFFAOYSA-N 0 0 439.537 4.683 50 0 IJAARN CCc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 ZINC000023118956 521754834 /nfs/dbraw/zinc/75/48/34/521754834.db2.gz DNIHWCUXOUHGKH-UHFFFAOYSA-N 0 0 446.482 4.522 50 0 IJAARN CCSc1ncc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000012314913 521787160 /nfs/dbraw/zinc/78/71/60/521787160.db2.gz TXSIVWHNMPTYKC-JOCHJYFZSA-N 0 0 449.580 4.769 50 0 IJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997856 521798740 /nfs/dbraw/zinc/79/87/40/521798740.db2.gz NUVAKKGLHXKUGM-FQEVSTJZSA-N 0 0 442.541 4.956 50 0 IJAARN COc1cc(-c2nc3cnccn3c2Nc2ccc(C)c(Br)c2)ccc1O ZINC000035616345 521907528 /nfs/dbraw/zinc/90/75/28/521907528.db2.gz CTGVOYOOSNBFEL-UHFFFAOYSA-N 0 0 425.286 4.925 50 0 IJAARN CN(C)S(=O)(=O)c1ccc2oc(SCCOc3ccc(Cl)cc3Cl)nc2c1 ZINC000012599685 521996013 /nfs/dbraw/zinc/99/60/13/521996013.db2.gz FRKLQTXXDPMJSA-UHFFFAOYSA-N 0 0 447.365 4.556 50 0 IJAARN CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000021172571 521998040 /nfs/dbraw/zinc/99/80/40/521998040.db2.gz LSHJDTFUFPEBIS-UHFFFAOYSA-N 0 0 435.574 4.839 50 0 IJAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(Br)cc1 ZINC000016942912 522053877 /nfs/dbraw/zinc/05/38/77/522053877.db2.gz TZPNOOYAJZCYSA-UHFFFAOYSA-N 0 0 444.354 4.579 50 0 IJAARN CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033274559 522139823 /nfs/dbraw/zinc/13/98/23/522139823.db2.gz QYIJKIBETFJHAJ-QGZVFWFLSA-N 0 0 428.598 4.731 50 0 IJAARN CN(C)c1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000012521886 522144144 /nfs/dbraw/zinc/14/41/44/522144144.db2.gz IAGMCVVBTOBPMU-UHFFFAOYSA-N 0 0 435.518 4.578 50 0 IJAARN COc1cc(C(=O)Nc2ccccc2-c2nc(Cc3ccccc3)no2)cc(OC)c1OC ZINC000022460208 522161469 /nfs/dbraw/zinc/16/14/69/522161469.db2.gz KQEVVZOGWCCICK-UHFFFAOYSA-N 0 0 445.475 4.606 50 0 IJAARN COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1OC ZINC000012735805 522212007 /nfs/dbraw/zinc/21/20/07/522212007.db2.gz FPIPXHSVRQWVSD-NSHDSACASA-N 0 0 428.710 4.834 50 0 IJAARN CN(C)c1nc2sc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)cc2s1 ZINC000065429346 522340003 /nfs/dbraw/zinc/34/00/03/522340003.db2.gz HRLCHIYQCCTTKO-UHFFFAOYSA-N 0 0 436.002 4.555 50 0 IJAARN CC[C@H](NC(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1)C12CC3CC(CC(C3)C1)C2 ZINC000012185982 522375940 /nfs/dbraw/zinc/37/59/40/522375940.db2.gz XPBQKOYXKADBKL-NNHDSNDOSA-N 0 0 440.603 4.908 50 0 IJAARN CN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000035961191 522451780 /nfs/dbraw/zinc/45/17/80/522451780.db2.gz ZMFGBZZLNIAXFG-HXUWFJFHSA-N 0 0 444.938 4.597 50 0 IJAARN CCc1nc2c(c(C)nn2-c2ccccc2C)c(NC2CCC(NC(=O)CC(C)C)CC2)n1 ZINC000036025953 522469053 /nfs/dbraw/zinc/46/90/53/522469053.db2.gz SISJGUCKAMSQNI-UHFFFAOYSA-N 0 0 448.615 4.880 50 0 IJAARN CC[C@@H](NC(=O)CSc1nnc(Nc2ccccc2OC)s1)c1ccc(C)cc1 ZINC000012607835 522692915 /nfs/dbraw/zinc/69/29/15/522692915.db2.gz FIJNNUFPDTYOFP-MRXNPFEDSA-N 0 0 428.583 4.958 50 0 IJAARN COc1cc(NC(=O)c2ccco2)c(C(=O)NCCc2ccc(C(C)C)cc2)cc1OC ZINC000012779652 522727654 /nfs/dbraw/zinc/72/76/54/522727654.db2.gz VWSQVSVYQMMVGG-UHFFFAOYSA-N 0 0 436.508 4.645 50 0 IJAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2ccc(F)cc2Cl)cc1OC ZINC000018253220 522728473 /nfs/dbraw/zinc/72/84/73/522728473.db2.gz XOZRXJWJDVLKDK-UHFFFAOYSA-N 0 0 433.819 4.699 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2nnc(C)n3c4ccsc4cc23)cc1Cl ZINC000020510689 522801564 /nfs/dbraw/zinc/80/15/64/522801564.db2.gz RIGCVNHWKMXMNH-UHFFFAOYSA-N 0 0 448.957 4.654 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000020445640 522805895 /nfs/dbraw/zinc/80/58/95/522805895.db2.gz PMLIRXAIKLSFQX-OALUTQOASA-N 0 0 427.961 4.509 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000012418264 522856425 /nfs/dbraw/zinc/85/64/25/522856425.db2.gz PZHJETRCJNFJKQ-UHFFFAOYSA-N 0 0 434.536 4.655 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000032961069 522856550 /nfs/dbraw/zinc/85/65/50/522856550.db2.gz XVHLEIYRWHKJLU-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 ZINC000012507354 522875786 /nfs/dbraw/zinc/87/57/86/522875786.db2.gz NKDQXFPHBAJXOZ-GOSISDBHSA-N 0 0 435.311 4.655 50 0 IJAARN CC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)oc(=O)n2C)c1cc(Cl)ccc1Cl ZINC000012418852 522902554 /nfs/dbraw/zinc/90/25/54/522902554.db2.gz JOACSYMMLIPYPP-CYBMUJFWSA-N 0 0 449.743 4.521 50 0 IJAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21)C(=O)Nc1ccc(C)cc1 ZINC000021935804 522913876 /nfs/dbraw/zinc/91/38/76/522913876.db2.gz DOUFOIJGYAITGV-PMACEKPBSA-N 0 0 434.565 4.760 50 0 IJAARN CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCC(C)C)C(=O)Nc1cc(C)on1 ZINC000016811377 522924306 /nfs/dbraw/zinc/92/43/06/522924306.db2.gz XFASMRWHUMTWJY-KRWDZBQOSA-N 0 0 448.976 4.902 50 0 IJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccc(C(C)=O)cc4)c(C)c13)CCC(C)(C)O2 ZINC000012901047 522994972 /nfs/dbraw/zinc/99/49/72/522994972.db2.gz TZZSCKIROJFZJB-UHFFFAOYSA-N 0 0 449.503 4.597 50 0 biogenic IJAARN COc1cc2c(cc1NC(=O)CCn1cnc3c(C)cccc3c1=O)oc1ccccc12 ZINC000013007082 523015759 /nfs/dbraw/zinc/01/57/59/523015759.db2.gz ARHBVERQGMUHPB-UHFFFAOYSA-N 0 0 427.460 4.642 50 0 IJAARN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(C)cc1)N(Cc1ccccc1F)CC2 ZINC000036041008 523036567 /nfs/dbraw/zinc/03/65/67/523036567.db2.gz HGDPNHPQWQNYMN-XMMPIXPASA-N 0 0 448.538 4.681 50 0 IJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)c1ccccc1)N(Cc1ccc(F)cc1)CC2 ZINC000036042928 523037023 /nfs/dbraw/zinc/03/70/23/523037023.db2.gz GOMBNLNWBWBRCS-WXTAPIANSA-N 0 0 448.538 4.761 50 0 IJAARN COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccs1)N(Cc1ccc(C)cc1)CC2 ZINC000036040962 523046834 /nfs/dbraw/zinc/04/68/34/523046834.db2.gz JPGMLESHFASGFS-NRFANRHFSA-N 0 0 436.577 4.603 50 0 IJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)(C)C)N(Cc1cccc(C)c1)CC2 ZINC000036043245 523047873 /nfs/dbraw/zinc/04/78/73/523047873.db2.gz WRNMAPOFJBYEKC-KOSHJBKYSA-N 0 0 439.600 4.598 50 0 IJAARN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Br)c2)no1 ZINC000012415712 523106884 /nfs/dbraw/zinc/10/68/84/523106884.db2.gz GRLFQMXXRQHIRS-UHFFFAOYSA-N 0 0 443.326 4.521 50 0 IJAARN COc1ccc(-c2cc(NC(=O)C3CCN(C(=O)C(C)C)CC3)ccc2OC(F)F)cc1 ZINC000012736466 523111314 /nfs/dbraw/zinc/11/13/14/523111314.db2.gz GJPNSRAXIVIUQR-UHFFFAOYSA-N 0 0 446.494 4.797 50 0 IJAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)c4cc(Cl)nc(OC)c4)cc3)n2)cc1 ZINC000023452827 523145639 /nfs/dbraw/zinc/14/56/39/523145639.db2.gz FVTXBZABQBENSB-UHFFFAOYSA-N 0 0 448.910 4.739 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000035684813 523152778 /nfs/dbraw/zinc/15/27/78/523152778.db2.gz NFNXMKMRXSJBAY-INIZCTEOSA-N 0 0 444.850 4.531 50 0 IJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000035684812 523153980 /nfs/dbraw/zinc/15/39/80/523153980.db2.gz NFNXMKMRXSJBAY-MRXNPFEDSA-N 0 0 444.850 4.531 50 0 IJAARN COc1ccc(-c2nc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000016645939 523190880 /nfs/dbraw/zinc/19/08/80/523190880.db2.gz USBCPZOGVYNLLI-SFHVURJKSA-N 0 0 438.578 4.919 50 0 IJAARN COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc4ccccc4c3)s2)cc1 ZINC000016992184 523193906 /nfs/dbraw/zinc/19/39/06/523193906.db2.gz KZDUAUBZEIOZKV-UHFFFAOYSA-N 0 0 438.574 4.801 50 0 IJAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1C ZINC000012593057 523200336 /nfs/dbraw/zinc/20/03/36/523200336.db2.gz IODSOJRNAHYGPI-MRXNPFEDSA-N 0 0 438.524 4.940 50 0 IJAARN COc1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)c(C)o2)cc1 ZINC000015774505 523204158 /nfs/dbraw/zinc/20/41/58/523204158.db2.gz DOLXBYZPQBYOLS-UHFFFAOYSA-N 0 0 434.540 4.625 50 0 IJAARN CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccco1 ZINC000012883186 523219919 /nfs/dbraw/zinc/21/99/19/523219919.db2.gz FVCMHNQELNQOKY-UHFFFAOYSA-N 0 0 432.549 4.898 50 0 IJAARN CCn1c(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)nnc1-c1ccco1 ZINC000012808199 523231534 /nfs/dbraw/zinc/23/15/34/523231534.db2.gz UIDUYEBKUJFDFW-UHFFFAOYSA-N 0 0 447.492 4.691 50 0 IJAARN COc1ccc(-n2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3c2=O)cc1 ZINC000020508869 523325772 /nfs/dbraw/zinc/32/57/72/523325772.db2.gz RLVUBWVZRBBXBU-IBGZPJMESA-N 0 0 426.516 4.750 50 0 IJAARN COc1ccc(-n2ccc(-c3sc(NCc4cccc(OC)c4OC)nc3C)n2)cc1 ZINC000014999627 523332286 /nfs/dbraw/zinc/33/22/86/523332286.db2.gz VJIQYFHTUSWRLJ-UHFFFAOYSA-N 0 0 436.537 4.942 50 0 IJAARN COc1ccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000020768885 523342603 /nfs/dbraw/zinc/34/26/03/523342603.db2.gz BWLXYUPPRMDKKR-UHFFFAOYSA-N 0 0 443.503 4.779 50 0 IJAARN CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3ccccc3c2)c(C)n1 ZINC000020608157 523368391 /nfs/dbraw/zinc/36/83/91/523368391.db2.gz IFGNDOBCZGZKGY-UHFFFAOYSA-N 0 0 437.540 4.895 50 0 IJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000012557531 523375008 /nfs/dbraw/zinc/37/50/08/523375008.db2.gz IVGWQKFUWWBPCY-UHFFFAOYSA-N 0 0 434.511 4.514 50 0 IJAARN COc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3F)s2)cc1OC ZINC000022891743 523384486 /nfs/dbraw/zinc/38/44/86/523384486.db2.gz SQOCIMNIZJLLLU-SOGBHIHOSA-N 0 0 442.512 4.678 50 0 IJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCCCC4)cc3NC2=O)cc1OC ZINC000020736497 523414203 /nfs/dbraw/zinc/41/42/03/523414203.db2.gz RAULKLUTQKHHQE-LPYMAVHISA-N 0 0 438.549 4.852 50 0 IJAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909480 523420049 /nfs/dbraw/zinc/42/00/49/523420049.db2.gz RPZXIKAIBYRDIL-OAQYLSRUSA-N 0 0 428.479 4.793 50 0 IJAARN CCn1cc([C@H](CC(=O)NCc2ccncc2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872342 523477482 /nfs/dbraw/zinc/47/74/82/523477482.db2.gz HYFPVMWNTPDYOF-XMMPIXPASA-N 0 0 443.547 4.912 50 0 IJAARN COc1ccc(Br)cc1CNc1nc2oc(-c3ccccc3)nc2c(C)n1 ZINC000035562395 523502771 /nfs/dbraw/zinc/50/27/71/523502771.db2.gz FKHKVNVJEUMWLI-UHFFFAOYSA-N 0 0 425.286 4.976 50 0 IJAARN CN(Cc1nc2ccccc2s1)C(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000035361605 523568931 /nfs/dbraw/zinc/56/89/31/523568931.db2.gz GDDGAZNOOMDCPW-XMMPIXPASA-N 0 0 433.602 4.964 50 0 IJAARN COC(=O)[C@@H](NC(=O)NC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2)c1ccccc1 ZINC000016362242 523611710 /nfs/dbraw/zinc/61/17/10/523611710.db2.gz LOFRWOSPRKIQQQ-LBBFSEDTSA-N 0 0 432.564 4.799 50 0 IJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccco3)on2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036016341 523614470 /nfs/dbraw/zinc/61/44/70/523614470.db2.gz ZJVNEYVIYIQQNQ-UHFFFAOYSA-N 0 0 432.432 4.515 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1Br ZINC000000881828 523682392 /nfs/dbraw/zinc/68/23/92/523682392.db2.gz DFUFWXAEEFXPRC-UHFFFAOYSA-N 0 0 448.367 4.708 50 0 IJAARN CCn1ncc(CNC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c1C ZINC000020606886 523690973 /nfs/dbraw/zinc/69/09/73/523690973.db2.gz CFDYEEWKYWIEQW-UHFFFAOYSA-N 0 0 433.459 4.561 50 0 IJAARN CCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NC(=O)OCc3ccccc3)c(Cl)cc12 ZINC000011867476 523744158 /nfs/dbraw/zinc/74/41/58/523744158.db2.gz YLKFQHPEJMMPQL-SFHVURJKSA-N 0 0 443.883 4.619 50 0 IJAARN COc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)cc1S(=O)(=O)NC(C)C ZINC000021705664 523755146 /nfs/dbraw/zinc/75/51/46/523755146.db2.gz BHZXPUJBIMRVRJ-UHFFFAOYSA-N 0 0 438.505 4.534 50 0 IJAARN COc1ccc(C(=O)Nc2ccccc2[C@H]2SCC(=O)N2c2ccccc2OC)cc1 ZINC000035925115 523760710 /nfs/dbraw/zinc/76/07/10/523760710.db2.gz BIQBXLRNKYFEGV-XMMPIXPASA-N 0 0 434.517 4.735 50 0 IJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1 ZINC000036032155 523774499 /nfs/dbraw/zinc/77/44/99/523774499.db2.gz VPXXRSOFAIRGHO-UHFFFAOYSA-N 0 0 446.956 4.673 50 0 IJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn32)cc1 ZINC000012342153 523779719 /nfs/dbraw/zinc/77/97/19/523779719.db2.gz WFVUGLGSGAGIKO-UHFFFAOYSA-N 0 0 433.895 4.975 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012683038 523786771 /nfs/dbraw/zinc/78/67/71/523786771.db2.gz DLMUDVHBBIACKM-UHFFFAOYSA-N 0 0 444.597 4.728 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)cc(C)c2)[C@@H]1c1ccccc1 ZINC000034927897 523809299 /nfs/dbraw/zinc/80/92/99/523809299.db2.gz ZFJPIRWEMLXUGT-RPBOFIJWSA-N 0 0 428.532 4.869 50 0 IJAARN CN(C(=O)CSCC(=O)Nc1ccc(Br)cc1Cl)C1CCCCC1 ZINC000012863325 523836896 /nfs/dbraw/zinc/83/68/96/523836896.db2.gz YNBNXYBBMQFOKB-UHFFFAOYSA-N 0 0 433.799 4.565 50 0 IJAARN CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C2CCCC2)C3=O)cc1 ZINC000021852945 523856304 /nfs/dbraw/zinc/85/63/04/523856304.db2.gz WPEGCRMSEGIYDW-HHHXNRCGSA-N 0 0 448.611 4.719 50 0 IJAARN CCc1ccc(-c2nc(SCc3nc4ccccc4c(=O)n3Cc3ccco3)n[nH]2)cc1 ZINC000012759428 523859233 /nfs/dbraw/zinc/85/92/33/523859233.db2.gz CFDBSOFUTPVQLR-UHFFFAOYSA-N 0 0 443.532 4.678 50 0 IJAARN CCc1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cs2)cc1 ZINC000015639171 523859682 /nfs/dbraw/zinc/85/96/82/523859682.db2.gz ZFLXDUMAMHGVTJ-GOSISDBHSA-N 0 0 435.549 4.534 50 0 IJAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4ccccc4Cl)CC3)N=C2SC)cc1 ZINC000020578282 523874206 /nfs/dbraw/zinc/87/42/06/523874206.db2.gz HQPBNGQBHBKVRX-UHFFFAOYSA-N 0 0 442.972 4.937 50 0 IJAARN COCCN1c2ccc(NC(=O)Cc3cccc(F)c3)cc2Sc2ccccc2C1=O ZINC000021355417 523889179 /nfs/dbraw/zinc/88/91/79/523889179.db2.gz CPGSUILZVCTUAW-UHFFFAOYSA-N 0 0 436.508 4.765 50 0 IJAARN COc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CC[C@H](C)C4)cc1OC ZINC000020557682 523953963 /nfs/dbraw/zinc/95/39/63/523953963.db2.gz WZIJKTSGHMXMQI-AWEZNQCLSA-N 0 0 429.607 4.837 50 0 IJAARN COc1ccc(CCNC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1OC ZINC000035598358 523969983 /nfs/dbraw/zinc/96/99/83/523969983.db2.gz AYOCKOPNTOXFTI-UHFFFAOYSA-N 0 0 442.515 4.804 50 0 IJAARN COc1ccc(CCNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)cc1OC ZINC000033059906 523972785 /nfs/dbraw/zinc/97/27/85/523972785.db2.gz LLDBSJJLEUTCAL-UHFFFAOYSA-N 0 0 435.549 4.694 50 0 IJAARN CCc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000009669832 523988286 /nfs/dbraw/zinc/98/82/86/523988286.db2.gz QOSHWACSQPEADV-GFCCVEGCSA-N 0 0 431.359 4.916 50 0 IJAARN CCc1ccc(S(=O)(=O)N2CCC3(CC2)c2cccn2-c2ccc(C)cc2N3CC)cc1 ZINC000035372179 524011643 /nfs/dbraw/zinc/01/16/43/524011643.db2.gz UMDMFNBAESKBAT-UHFFFAOYSA-N 0 0 449.620 4.868 50 0 biogenic IJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CCCCC2)C(=O)c2ccc(F)cc2)c1C ZINC000036004255 524023023 /nfs/dbraw/zinc/02/30/23/524023023.db2.gz AEFHXWPORPKWBF-QGZVFWFLSA-N 0 0 442.531 4.851 50 0 IJAARN COc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c(OC)c1 ZINC000020609825 524040432 /nfs/dbraw/zinc/04/04/32/524040432.db2.gz QNILKYBGIZYLBP-UHFFFAOYSA-N 0 0 429.472 4.829 50 0 biogenic IJAARN CN(C)C=C(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001384906 524041472 /nfs/dbraw/zinc/04/14/72/524041472.db2.gz GIXSQWQWTJHWGZ-UHFFFAOYSA-N 0 0 445.363 4.747 50 0 IJAARN CCc1ccc2c(c1)[C@@]1(Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN31)C(=O)N2 ZINC000012130231 524059672 /nfs/dbraw/zinc/05/96/72/524059672.db2.gz STOVDFZFUJDFKB-BKMJKUGQSA-N 0 0 443.478 4.745 50 0 IJAARN CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(F)cc2F)c1 ZINC000020617116 524061956 /nfs/dbraw/zinc/06/19/56/524061956.db2.gz SDWHNFWSTOHWRB-GNVQSUKOSA-N 0 0 449.457 4.954 50 0 IJAARN COc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 ZINC000012850585 524068268 /nfs/dbraw/zinc/06/82/68/524068268.db2.gz GDDXHQCCFBUNQF-PMACEKPBSA-N 0 0 444.457 4.790 50 0 IJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)o2)c1 ZINC000012419166 524120267 /nfs/dbraw/zinc/12/02/67/524120267.db2.gz WZOXVWHPLLCSSX-KRWDZBQOSA-N 0 0 432.929 4.727 50 0 IJAARN COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)NCc2ccccc2)c1 ZINC000036045734 524121318 /nfs/dbraw/zinc/12/13/18/524121318.db2.gz HYZVGPBFDCIDSN-BJKOFHAPSA-N 0 0 448.950 4.521 50 0 IJAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc(C)nc4ccc(Br)cc43)CC2)c1 ZINC000032961453 524123838 /nfs/dbraw/zinc/12/38/38/524123838.db2.gz CKGOPSQJLWIRGB-UHFFFAOYSA-N 0 0 438.369 4.885 50 0 IJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 ZINC000012755607 524126779 /nfs/dbraw/zinc/12/67/79/524126779.db2.gz GKZPMUJWCAOJAR-UHFFFAOYSA-N 0 0 435.578 4.921 50 0 IJAARN Cc1cccc(-c2noc(-c3ccccc3NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n2)c1 ZINC000020899953 524130006 /nfs/dbraw/zinc/13/00/06/524130006.db2.gz YFXPDANDXMORKK-IBGZPJMESA-N 0 0 438.487 4.704 50 0 IJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c1OC ZINC000021788025 524131207 /nfs/dbraw/zinc/13/12/07/524131207.db2.gz MHXWPBZJZVWFQZ-FQEVSTJZSA-N 0 0 429.929 4.626 50 0 IJAARN Cc1ccc(C)c(NC(=O)C2CCN(c3cc(C(=O)Nc4ccccc4F)ccn3)CC2)c1 ZINC000033073958 524131839 /nfs/dbraw/zinc/13/18/39/524131839.db2.gz UFRBZMSCJKXXMH-UHFFFAOYSA-N 0 0 446.526 4.945 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012753163 524136877 /nfs/dbraw/zinc/13/68/77/524136877.db2.gz AUFLJGZZEOHGNH-OCCSQVGLSA-N 0 0 433.624 4.641 50 0 IJAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240648 524140875 /nfs/dbraw/zinc/14/08/75/524140875.db2.gz YGMRDGPKUSXIHX-DYVFJYSZSA-N 0 0 429.460 4.581 50 0 IJAARN Cc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)C(C)C)c1 ZINC000036049558 524141857 /nfs/dbraw/zinc/14/18/57/524141857.db2.gz CIJVZOXEVXAITB-UHFFFAOYSA-N 0 0 430.552 4.681 50 0 IJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCc3ccc(Cl)cc3)C2=O)c1 ZINC000020735430 524154113 /nfs/dbraw/zinc/15/41/13/524154113.db2.gz GWIJAWOQSUKMAT-OEAKJJBVSA-N 0 0 432.907 4.731 50 0 IJAARN COc1ccc(Cc2c(C)nc(SCc3ccc(Br)cc3)n(C)c2=O)cc1 ZINC000035844567 524161818 /nfs/dbraw/zinc/16/18/18/524161818.db2.gz OVOGPHKRFMUUFP-UHFFFAOYSA-N 0 0 445.382 4.743 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccccc1 ZINC000021864832 524168661 /nfs/dbraw/zinc/16/86/61/524168661.db2.gz ZHQVPZVOIQSRBO-YOPMBXEFSA-N 0 0 445.563 4.858 50 0 IJAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000021809200 524171285 /nfs/dbraw/zinc/17/12/85/524171285.db2.gz IBAALCYQPXUOJQ-YMJPAYASSA-N 0 0 449.620 4.855 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(C)n1C1CC1 ZINC000012918755 524171691 /nfs/dbraw/zinc/17/16/91/524171691.db2.gz FPTJXRVIVXUMIB-UHFFFAOYSA-N 0 0 437.565 4.513 50 0 IJAARN COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012778387 524177326 /nfs/dbraw/zinc/17/73/26/524177326.db2.gz ZAUOPPCQPLBWBQ-MRXNPFEDSA-N 0 0 430.751 4.637 50 0 IJAARN Cc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2ccc(Br)cc2)c1 ZINC000002952901 524187801 /nfs/dbraw/zinc/18/78/01/524187801.db2.gz ZMVHZOZHWJLBEG-UHFFFAOYSA-N 0 0 437.337 4.925 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C3CC3)n[nH]2)c1OC ZINC000012433948 524187834 /nfs/dbraw/zinc/18/78/34/524187834.db2.gz COMBNSXGUWEUMD-DEOSSOPVSA-N 0 0 442.519 4.574 50 0 IJAARN COc1cccc([C@H]2[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928088 524189251 /nfs/dbraw/zinc/18/92/51/524189251.db2.gz IWEQWINGJNXZAC-RPBOFIJWSA-N 0 0 444.506 4.594 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1 ZINC000020678531 524241615 /nfs/dbraw/zinc/24/16/15/524241615.db2.gz DDXOWYUFTDZQCI-LJQANCHMSA-N 0 0 443.682 4.895 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000021121554 524242337 /nfs/dbraw/zinc/24/23/37/524242337.db2.gz BYQPJCOOTSATNZ-HUUCEWRRSA-N 0 0 433.426 4.717 50 0 IJAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)C1 ZINC000012586365 524242413 /nfs/dbraw/zinc/24/24/13/524242413.db2.gz DIGCLQOPIQREFC-HXUWFJFHSA-N 0 0 448.588 4.878 50 0 IJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2S[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000012912094 524256377 /nfs/dbraw/zinc/25/63/77/524256377.db2.gz DSZSQQWWENBWFD-HNNXBMFYSA-N 0 0 436.537 4.813 50 0 IJAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccc(C)c(C)c4)cc3c2=O)cc1 ZINC000035426911 524262845 /nfs/dbraw/zinc/26/28/45/524262845.db2.gz PQCPOUOOYDCERX-UHFFFAOYSA-N 0 0 427.504 4.631 50 0 IJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000020384820 524265957 /nfs/dbraw/zinc/26/59/57/524265957.db2.gz YMYMSPRKVRJTSJ-KXBFYZLASA-N 0 0 438.597 4.809 50 0 IJAARN COc1ccccc1-c1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)no1 ZINC000036012882 524267695 /nfs/dbraw/zinc/26/76/95/524267695.db2.gz BRQJUVABCQVNAS-UHFFFAOYSA-N 0 0 434.517 4.741 50 0 IJAARN COc1ccccc1-c1nn(CN(C)[C@H](C)c2nc3ccccc3s2)c(=S)n1C ZINC000012787725 524284292 /nfs/dbraw/zinc/28/42/92/524284292.db2.gz RTXPZQGXOLBJJY-CQSZACIVSA-N 0 0 425.583 4.887 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc32)c(C)c1 ZINC000035532791 524290548 /nfs/dbraw/zinc/29/05/48/524290548.db2.gz QFOLZPRBQXKXDU-UHFFFAOYSA-N 0 0 427.599 4.733 50 0 IJAARN C[C@H](CN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)c1ccccc1 ZINC000021860523 524313592 /nfs/dbraw/zinc/31/35/92/524313592.db2.gz SUGRTHDZCJJXAE-XHCCPWGMSA-N 0 0 444.579 4.503 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c(C)c1 ZINC000022907938 524319730 /nfs/dbraw/zinc/31/97/30/524319730.db2.gz MQHIHAQTPUEGFO-QFIPXVFZSA-N 0 0 440.634 4.751 50 0 IJAARN COc1ccccc1C(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CC1 ZINC000035774646 524338014 /nfs/dbraw/zinc/33/80/14/524338014.db2.gz ZULAKUNXXFUFCN-UHFFFAOYSA-N 0 0 448.588 4.899 50 0 IJAARN Cc1cc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4cccs4)s3)[nH]c2c1 ZINC000021099256 524342851 /nfs/dbraw/zinc/34/28/51/524342851.db2.gz KWOCQVAQPFSPFC-UHFFFAOYSA-N 0 0 428.564 4.603 50 0 IJAARN COc1ccccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001068109 524345731 /nfs/dbraw/zinc/34/57/31/524345731.db2.gz MJHAXEKYHGDBPT-UHFFFAOYSA-N 0 0 437.487 4.831 50 0 IJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)C2CCCC2)c(OC)c1 ZINC000035912391 524390531 /nfs/dbraw/zinc/39/05/31/524390531.db2.gz JCRRLBAWMSIMRC-QHCPKHFHSA-N 0 0 426.538 4.611 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3nc(N4CCC(C)CC4)sc32)c1 ZINC000035533229 524421595 /nfs/dbraw/zinc/42/15/95/524421595.db2.gz BNCGICJOUBBBGW-UHFFFAOYSA-N 0 0 427.599 4.670 50 0 IJAARN Cc1ccc(CN2C(=O)C(c3cccs3)=NC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000015828608 524426133 /nfs/dbraw/zinc/42/61/33/524426133.db2.gz IUATWLAYDNHJNG-UHFFFAOYSA-N 0 0 439.581 4.615 50 0 IJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000033067880 524430015 /nfs/dbraw/zinc/43/00/15/524430015.db2.gz HIUMQEMWBJYXNJ-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526483 524432990 /nfs/dbraw/zinc/43/29/90/524432990.db2.gz JIYMJEIQJIQAOR-AREMUKBSSA-N 0 0 433.552 4.796 50 0 IJAARN COc1ccccc1CN1C(=O)c2ccccc2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020386655 524446897 /nfs/dbraw/zinc/44/68/97/524446897.db2.gz QZMROIPZHOSELQ-MHZLTWQESA-N 0 0 434.580 4.882 50 0 IJAARN COc1ccc(NC(=O)COc2ccccc2C(=O)NC2CCCCCC2)cc1Cl ZINC000012690434 524504248 /nfs/dbraw/zinc/50/42/48/524504248.db2.gz MZEZVAHSVAWSBR-UHFFFAOYSA-N 0 0 430.932 4.819 50 0 IJAARN COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1OC ZINC000015721421 524522010 /nfs/dbraw/zinc/52/20/10/524522010.db2.gz FFRDRSLKOSWDAN-JOCHJYFZSA-N 0 0 430.504 4.738 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062144 524532043 /nfs/dbraw/zinc/53/20/43/524532043.db2.gz DGDGYEYHHZRQDZ-HNNXBMFYSA-N 0 0 442.972 4.514 50 0 IJAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000021656446 524533632 /nfs/dbraw/zinc/53/36/32/524533632.db2.gz IIYCMSCHEDMTSZ-UNMCSNQZSA-N 0 0 430.552 4.623 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000020240642 524558605 /nfs/dbraw/zinc/55/86/05/524558605.db2.gz LYAZYWKNMZKMEJ-UHFFFAOYSA-N 0 0 437.439 4.511 50 0 IJAARN COc1ccc(NC(=O)[C@@H](C)SCc2cc(OC)c(Br)cc2OC)cc1 ZINC000012909424 524586212 /nfs/dbraw/zinc/58/62/12/524586212.db2.gz WWLHFKOXTYSRQK-GFCCVEGCSA-N 0 0 440.359 4.735 50 0 IJAARN Cc1cccc(NC(=O)CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000012636740 524593058 /nfs/dbraw/zinc/59/30/58/524593058.db2.gz JQEYDHQHKDASFU-UHFFFAOYSA-N 0 0 432.090 4.843 50 0 IJAARN COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cc(C)cc(C)c1 ZINC000020617361 524625167 /nfs/dbraw/zinc/62/51/67/524625167.db2.gz HHZFBUCLDZNZDY-SGEDCAFJSA-N 0 0 443.503 4.739 50 0 IJAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000035181067 524628733 /nfs/dbraw/zinc/62/87/33/524628733.db2.gz WLOQZTUXQVJBEA-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000012679264 524636189 /nfs/dbraw/zinc/63/61/89/524636189.db2.gz BUSOANDQJAYCMH-NRFANRHFSA-N 0 0 435.549 4.785 50 0 IJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nccn1-c1cccc(Cl)c1C ZINC000012541242 524671051 /nfs/dbraw/zinc/67/10/51/524671051.db2.gz YHANMCZIZGHJOH-UHFFFAOYSA-N 0 0 444.944 4.532 50 0 IJAARN COc1ccccc1Oc1c(CN(C[C@@H]2CCCO2)C(C)=O)c(C)nn1-c1ccccc1 ZINC000035976664 524694751 /nfs/dbraw/zinc/69/47/51/524694751.db2.gz RELABTOHEJQFQZ-NRFANRHFSA-N 0 0 435.524 4.509 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N21 ZINC000021052685 524743888 /nfs/dbraw/zinc/74/38/88/524743888.db2.gz GIANOYNBPDJEFF-IBGZPJMESA-N 0 0 440.956 4.635 50 0 IJAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1c2c(nn1C)CCCC2 ZINC000012578242 524764244 /nfs/dbraw/zinc/76/42/44/524764244.db2.gz JUVXJMHWIICIKH-RUZDIDTESA-N 0 0 440.547 4.577 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCc3cccs3)CC2)cc1 ZINC000021159446 524771277 /nfs/dbraw/zinc/77/12/77/524771277.db2.gz AOAJAGJXWRKYKA-UHFFFAOYSA-N 0 0 444.604 4.987 50 0 IJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC000012191970 524879888 /nfs/dbraw/zinc/87/98/88/524879888.db2.gz SHRUWSOWOQEZTE-OALUTQOASA-N 0 0 442.625 4.581 50 0 IJAARN Cc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)c1 ZINC000015834057 524900582 /nfs/dbraw/zinc/90/05/82/524900582.db2.gz DMXYTJQUQNTZTC-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000012559938 524900971 /nfs/dbraw/zinc/90/09/71/524900971.db2.gz WQHPIFJFRAUSIA-AWEZNQCLSA-N 0 0 439.512 4.639 50 0 IJAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012869521 524915496 /nfs/dbraw/zinc/91/54/96/524915496.db2.gz WGLXGAOYIRKZGY-MRXNPFEDSA-N 0 0 449.878 4.902 50 0 IJAARN COc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)cc1 ZINC000012062319 524964023 /nfs/dbraw/zinc/96/40/23/524964023.db2.gz PUHXYZSEBGMATF-GOSISDBHSA-N 0 0 439.581 4.617 50 0 IJAARN Cc1ccccc1-c1nnc(CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)o1 ZINC000021359247 525015835 /nfs/dbraw/zinc/01/58/35/525015835.db2.gz BMJJZTGOFKOURP-UHFFFAOYSA-N 0 0 441.513 4.509 50 0 IJAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000024525715 525031834 /nfs/dbraw/zinc/03/18/34/525031834.db2.gz KXRYIILUFAQPOC-NRFANRHFSA-N 0 0 449.576 4.798 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(Cc2cc(F)cc(F)c2)C1=O ZINC000035909942 525063352 /nfs/dbraw/zinc/06/33/52/525063352.db2.gz OLNOPUUPVSIMAI-OAHLLOKOSA-N 0 0 437.446 4.919 50 0 IJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2cccs2)cc1 ZINC000012390680 525093404 /nfs/dbraw/zinc/09/34/04/525093404.db2.gz BCUDZTVYPYONLS-UHFFFAOYSA-N 0 0 432.567 4.841 50 0 IJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nnc(Cc4ccccc4)n3C)cs2)cc1 ZINC000012762648 525097526 /nfs/dbraw/zinc/09/75/26/525097526.db2.gz CCMVHPQQOLTUKQ-UHFFFAOYSA-N 0 0 449.605 4.644 50 0 IJAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCCc2ccccn2)cc1 ZINC000034675917 525117267 /nfs/dbraw/zinc/11/72/67/525117267.db2.gz UZNNSIFYSAAFMF-UHFFFAOYSA-N 0 0 443.591 4.871 50 0 IJAARN Cc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021863180 525134961 /nfs/dbraw/zinc/13/49/61/525134961.db2.gz YFUJVLNKESWXEJ-HHHXNRCGSA-N 0 0 445.563 4.920 50 0 IJAARN Cc1cc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)n(-c2ccccc2)n1 ZINC000012546439 525157167 /nfs/dbraw/zinc/15/71/67/525157167.db2.gz JVRFONPPPSDNQN-UHFFFAOYSA-N 0 0 443.576 4.976 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1cccc(F)c1 ZINC000021869100 525196759 /nfs/dbraw/zinc/19/67/59/525196759.db2.gz GDVUPRUFYSWBTH-HHHXNRCGSA-N 0 0 445.538 4.768 50 0 IJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021810476 525200047 /nfs/dbraw/zinc/20/00/47/525200047.db2.gz XANJJXMNXLVOGB-HSZRJFAPSA-N 0 0 425.916 4.756 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2ccccc2)cc1C ZINC000009236934 525226975 /nfs/dbraw/zinc/22/69/75/525226975.db2.gz FCSSPDVBPSPABL-VXKWHMMOSA-N 0 0 441.560 4.960 50 0 IJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c(Br)c1 ZINC000012768242 525242996 /nfs/dbraw/zinc/24/29/96/525242996.db2.gz SFDBAACVANPSFE-UHFFFAOYSA-N 0 0 440.341 4.836 50 0 IJAARN Cc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3cccc(Cl)c3)no2)c1=O ZINC000012415508 525244383 /nfs/dbraw/zinc/24/43/83/525244383.db2.gz NFFUGXPSLUVRLW-UHFFFAOYSA-N 0 0 448.910 4.783 50 0 IJAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442331 525245538 /nfs/dbraw/zinc/24/55/38/525245538.db2.gz FGKAQYVJDOTRRE-UHFFFAOYSA-N 0 0 440.431 4.563 50 0 IJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000012824057 525276047 /nfs/dbraw/zinc/27/60/47/525276047.db2.gz ZSAZWHAPBIJROD-UHFFFAOYSA-N 0 0 441.361 4.697 50 0 IJAARN Cc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C(N)=O)c(C)c1 ZINC000001024531 525329111 /nfs/dbraw/zinc/32/91/11/525329111.db2.gz APCVSFLPHGKDIF-UHFFFAOYSA-N 0 0 444.354 4.783 50 0 IJAARN C[C@]12COc3c(Br)cc(Br)cc3[C@H]1c1sc(=O)[nH]c1SC2 ZINC000012402616 525353161 /nfs/dbraw/zinc/35/31/61/525353161.db2.gz AYCROMNCFXIXCY-LKFCYVNXSA-N 0 0 449.189 4.598 50 0 IJAARN Cc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000021913974 525357570 /nfs/dbraw/zinc/35/75/70/525357570.db2.gz OOGMABWOILSSQL-VGSWGCGISA-N 0 0 431.561 4.756 50 0 IJAARN C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccc2c(c1)OCCO2 ZINC000012681729 525368692 /nfs/dbraw/zinc/36/86/92/525368692.db2.gz ZKZKPKZBGKHBIB-QGZVFWFLSA-N 0 0 445.544 4.922 50 0 IJAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C1 ZINC000012617290 525373125 /nfs/dbraw/zinc/37/31/25/525373125.db2.gz GILWJZSQKFNYJQ-GASCZTMLSA-N 0 0 435.446 4.505 50 0 IJAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041531 525422696 /nfs/dbraw/zinc/42/26/96/525422696.db2.gz WPYADPUEKHRDFP-PKTZIBPZSA-N 0 0 448.950 4.521 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000012468570 525427059 /nfs/dbraw/zinc/42/70/59/525427059.db2.gz IBTVECZJKBMLHS-RBUKOAKNSA-N 0 0 431.521 4.747 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](c1ccccn1)N1CCOCC1 ZINC000021805662 525429938 /nfs/dbraw/zinc/42/99/38/525429938.db2.gz QFCNGLVGGAEVNT-RUZDIDTESA-N 0 0 426.520 4.545 50 0 IJAARN Cc1[nH]c2ccc(NC(=O)c3ccccc3C)cc2c1[C@H](c1ccccn1)N1CCOCC1 ZINC000021805829 525430412 /nfs/dbraw/zinc/43/04/12/525430412.db2.gz FVPABUBGQCVENP-SANMLTNESA-N 0 0 440.547 4.854 50 0 IJAARN Cc1ccc(OCc2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)cc1 ZINC000033326374 525448591 /nfs/dbraw/zinc/44/85/91/525448591.db2.gz MTHQKORIPBWNOO-UHFFFAOYSA-N 0 0 441.984 4.575 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)CCC(=O)c3cccs3)cc2)cc1 ZINC000015726722 525474500 /nfs/dbraw/zinc/47/45/00/525474500.db2.gz HQCBBWOWNJZJGG-UHFFFAOYSA-N 0 0 436.533 4.957 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(C)cc3)C2)cc1 ZINC000033289124 525481528 /nfs/dbraw/zinc/48/15/28/525481528.db2.gz AROAHQLUUFLJIW-RBBKRZOGSA-N 0 0 430.552 4.980 50 0 IJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(Cc2cccs2)C3=O)o1 ZINC000021526822 525618849 /nfs/dbraw/zinc/61/88/49/525618849.db2.gz RMSJFFQVKHMOAM-DEOSSOPVSA-N 0 0 439.581 4.858 50 0 IJAARN COc1ccc2cc(CN(C)C(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 ZINC000021934260 525625321 /nfs/dbraw/zinc/62/53/21/525625321.db2.gz CVIBCIJKSMXJOM-QHCPKHFHSA-N 0 0 438.955 4.915 50 0 IJAARN Cc1ccnc(-n2c(=O)c3ccccc3nc2SCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000018775129 525631826 /nfs/dbraw/zinc/63/18/26/525631826.db2.gz YNLLUMFLXIUMEQ-UHFFFAOYSA-N 0 0 445.479 4.571 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(Nc4cc(C)ccc4C)nc23)cc1 ZINC000020516308 525636340 /nfs/dbraw/zinc/63/63/40/525636340.db2.gz YJXXOUQIGNRQFX-UHFFFAOYSA-N 0 0 449.561 4.841 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Br)cc2F)sc2ncnc(N3CCCC3)c12 ZINC000033078832 525652901 /nfs/dbraw/zinc/65/29/01/525652901.db2.gz CQLUETQFWJUSSK-UHFFFAOYSA-N 0 0 435.322 4.754 50 0 IJAARN Cc1cc2nc(C)c(CCC(=O)N3CCc4sccc4[C@H]3c3cccs3)c(C)n2n1 ZINC000009647865 525670835 /nfs/dbraw/zinc/67/08/35/525670835.db2.gz DWOXDHZDHIHVQY-QHCPKHFHSA-N 0 0 436.606 4.884 50 0 IJAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)cc(=O)n2o1 ZINC000041089729 525675037 /nfs/dbraw/zinc/67/50/37/525675037.db2.gz QJQSAOKEVJOVMZ-UHFFFAOYSA-N 0 0 442.447 4.810 50 0 IJAARN Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O ZINC000012884635 525676297 /nfs/dbraw/zinc/67/62/97/525676297.db2.gz IIAHICYBUPTUDY-HNNXBMFYSA-N 0 0 438.911 4.671 50 0 biogenic IJAARN Cc1cc2nc(N(Cc3ccco3)C(=O)c3ccccc3S(C)(=O)=O)sc2c(C)c1 ZINC000022898303 525678101 /nfs/dbraw/zinc/67/81/01/525678101.db2.gz OOWDICCYDQBOIP-UHFFFAOYSA-N 0 0 440.546 4.757 50 0 IJAARN CSCc1c2ccccc2oc1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000017958448 525719668 /nfs/dbraw/zinc/71/96/68/525719668.db2.gz IKLJEAFWUMXZSO-UHFFFAOYSA-N 0 0 447.354 4.735 50 0 IJAARN COc1cccc(-c2nc(CN3CCN(c4cc(Cl)ccc4C)CC3)c(C)o2)c1OC ZINC000015063917 525725605 /nfs/dbraw/zinc/72/56/05/525725605.db2.gz PVAFWVWGRXUOMB-UHFFFAOYSA-N 0 0 441.959 4.951 50 0 IJAARN Cc1ccc(-c2cc(C(=O)Nc3cc(S(N)(=O)=O)ccc3C)c3ccccc3n2)c(C)c1 ZINC000016226085 525726779 /nfs/dbraw/zinc/72/67/79/525726779.db2.gz CQQZICYUWITSIA-UHFFFAOYSA-N 0 0 445.544 4.727 50 0 IJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(Br)c4)c(=O)n23)cc1 ZINC000020768083 525787383 /nfs/dbraw/zinc/78/73/83/525787383.db2.gz VLCHMIXEAJBQDX-UHFFFAOYSA-N 0 0 440.322 4.746 50 0 IJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000012999623 525788112 /nfs/dbraw/zinc/78/81/12/525788112.db2.gz CXQWZANFTRHFEQ-AWEZNQCLSA-N 0 0 445.386 4.946 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H]4CCCc5ccccc54)c(=O)c23)cc1 ZINC000012681514 525788271 /nfs/dbraw/zinc/78/82/71/525788271.db2.gz IYWBLAKVSCQQBW-OAQYLSRUSA-N 0 0 429.545 4.627 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000021810474 525792370 /nfs/dbraw/zinc/79/23/70/525792370.db2.gz XANJJXMNXLVOGB-QHCPKHFHSA-N 0 0 425.916 4.756 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1CCc1ccccc1 ZINC000021808281 525792405 /nfs/dbraw/zinc/79/24/05/525792405.db2.gz HUIAINPKCIPTGF-VWLOTQADSA-N 0 0 435.593 4.609 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccccc3)ccc2C(=O)N1Cc1ccco1 ZINC000021869112 525792442 /nfs/dbraw/zinc/79/24/42/525792442.db2.gz OWMFYNGSGLIEQR-SANMLTNESA-N 0 0 431.536 4.612 50 0 IJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1Cc1ccco1 ZINC000021864256 525793774 /nfs/dbraw/zinc/79/37/74/525793774.db2.gz IVUGJCGISQEFJZ-VWLOTQADSA-N 0 0 435.524 4.595 50 0 IJAARN COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2-c2nc(-c3ccccc3)no2)c1 ZINC000020733914 525831536 /nfs/dbraw/zinc/83/15/36/525831536.db2.gz NPMLWYUJNZMXJR-UHFFFAOYSA-N 0 0 431.448 4.682 50 0 IJAARN COc1cccc(C2=NN(C(=O)CN(C)C(=O)CC(C)(C)C)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000035961932 525858611 /nfs/dbraw/zinc/85/86/11/525858611.db2.gz HQHDVKYOSFJPED-HSZRJFAPSA-N 0 0 435.568 4.576 50 0 IJAARN Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nnc2-c2cccnc2)c(C)c1 ZINC000012608232 525903371 /nfs/dbraw/zinc/90/33/71/525903371.db2.gz FEHMXAWBBPEMFP-GOSISDBHSA-N 0 0 435.597 4.876 50 0 IJAARN Cc1ccc(-n2cc(CN3CCN(C(=O)c4ccco4)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020540966 525907087 /nfs/dbraw/zinc/90/70/87/525907087.db2.gz JFFCBYCQMQWNEM-UHFFFAOYSA-N 0 0 444.510 4.538 50 0 IJAARN COc1cccc(CN(C)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c1OC ZINC000012552767 525910027 /nfs/dbraw/zinc/91/00/27/525910027.db2.gz RPBCHWMVFWQRHQ-UHFFFAOYSA-N 0 0 447.560 4.916 50 0 IJAARN C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000021999861 525934896 /nfs/dbraw/zinc/93/48/96/525934896.db2.gz BBKDWPHJZANJGB-KDOFPFPSSA-N 0 0 428.872 4.565 50 0 in-vitro IJAARN C[C@H](Oc1cccc(I)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012799605 525951318 /nfs/dbraw/zinc/95/13/18/525951318.db2.gz IFVMJMDCASBGKI-JTQLQIEISA-N 0 0 435.183 4.716 50 0 IJAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012608237 525962566 /nfs/dbraw/zinc/96/25/66/525962566.db2.gz AANHRKJAQBOKJA-ZDUSSCGKSA-N 0 0 428.838 4.601 50 0 IJAARN CSc1ccc(C)c(C(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1 ZINC000012742606 525979021 /nfs/dbraw/zinc/97/90/21/525979021.db2.gz ZKVGJIRXPKRJHY-UHFFFAOYSA-N 0 0 425.579 4.771 50 0 IJAARN CSc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)cc1 ZINC000035404295 525996517 /nfs/dbraw/zinc/99/65/17/525996517.db2.gz MOPBLCSJNUFDMX-UHFFFAOYSA-N 0 0 446.620 4.617 50 0 IJAARN COc1cccc(CNC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)c1 ZINC000033266758 526002297 /nfs/dbraw/zinc/00/22/97/526002297.db2.gz YUAAQOJFMSNMGI-UHFFFAOYSA-N 0 0 429.545 4.946 50 0 IJAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4)cccn3c2=O)nn1-c1ccc(F)cc1 ZINC000035911362 526037182 /nfs/dbraw/zinc/03/71/82/526037182.db2.gz UPRYEXDDXXYUKR-UHFFFAOYSA-N 0 0 440.478 4.882 50 0 IJAARN Cc1ccc([C@](O)(CCNc2nc(-c3cccnc3)nc3ccccc32)C(F)(F)F)o1 ZINC000022406372 526048938 /nfs/dbraw/zinc/04/89/38/526048938.db2.gz KZVSTQGPYVJNGR-OAQYLSRUSA-N 0 0 428.414 4.845 50 0 IJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)o1 ZINC000012462496 526051787 /nfs/dbraw/zinc/05/17/87/526051787.db2.gz NKPNTUXYQBYKLH-QFIPXVFZSA-N 0 0 430.287 4.902 50 0 IJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3c(F)cccc3F)ccc2OCC1=O ZINC000035909710 526064881 /nfs/dbraw/zinc/06/48/81/526064881.db2.gz YAIVENYVLDVKTC-CQSZACIVSA-N 0 0 440.421 4.838 50 0 IJAARN CSc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000011913708 526065687 /nfs/dbraw/zinc/06/56/87/526065687.db2.gz VTIMUBGNIHPXIR-HTAPYJJXSA-N 0 0 435.545 4.856 50 0 IJAARN Cc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000012761026 526123043 /nfs/dbraw/zinc/12/30/43/526123043.db2.gz HVRKNGANUPVPSD-GOSISDBHSA-N 0 0 444.622 4.701 50 0 IJAARN COc1cccc(N2C(=O)c3cc4oc(C)cc4n3C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021526740 526139760 /nfs/dbraw/zinc/13/97/60/526139760.db2.gz DIXLHUNFVNKERE-SANMLTNESA-N 0 0 449.551 4.809 50 0 IJAARN CSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1cccc(C)c1 ZINC000021701614 526167818 /nfs/dbraw/zinc/16/78/18/526167818.db2.gz ZKMXKPHTCZHDQQ-UHFFFAOYSA-N 0 0 426.563 4.551 50 0 IJAARN Cc1ccc2c(c1)N(Cc1nc(-c3ccc(OCc4ccccc4)cc3)no1)C(=O)CO2 ZINC000023126524 526169034 /nfs/dbraw/zinc/16/90/34/526169034.db2.gz BMWGTTRCIYMWHK-UHFFFAOYSA-N 0 0 427.460 4.550 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CSc1cc(N2C[C@H](C)C[C@H](C)C2)ncn1 ZINC000049006747 526170844 /nfs/dbraw/zinc/17/08/44/526170844.db2.gz BXTRQDHPIMBSEU-OKILXGFUSA-N 0 0 449.418 4.761 50 0 IJAARN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919324 526170877 /nfs/dbraw/zinc/17/08/77/526170877.db2.gz JISFZFNCMZGCCF-UHFFFAOYSA-N 0 0 430.957 4.554 50 0 IJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccccc3Cl)CC1)c1cccn1-2 ZINC000035399286 526171501 /nfs/dbraw/zinc/17/15/01/526171501.db2.gz NASJWLKBMXBUBQ-UHFFFAOYSA-N 0 0 427.957 4.545 50 0 biogenic IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1Cc1ccco1 ZINC000012678965 526214020 /nfs/dbraw/zinc/21/40/20/526214020.db2.gz YFEHDQFAYRJZSG-UHFFFAOYSA-N 0 0 433.537 4.710 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 ZINC000023221596 526216215 /nfs/dbraw/zinc/21/62/15/526216215.db2.gz NALCCTZEAGOLCZ-IBGZPJMESA-N 0 0 442.515 4.516 50 0 IJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000012678833 526218992 /nfs/dbraw/zinc/21/89/92/526218992.db2.gz HXYWGWQQXLQWGZ-MRXNPFEDSA-N 0 0 448.906 4.714 50 0 IJAARN Cc1ccc(C)c(-c2cc(C(=O)N(CC(=O)N3CCCCC3)Cc3ccccc3)no2)c1 ZINC000036015474 526255511 /nfs/dbraw/zinc/25/55/11/526255511.db2.gz JNFPEBQRPDEWJD-UHFFFAOYSA-N 0 0 431.536 4.613 50 0 IJAARN O=C(NCCCc1ccccc1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000035528380 526276497 /nfs/dbraw/zinc/27/64/97/526276497.db2.gz PHNKXOCVYKJUHU-UHFFFAOYSA-N 0 0 442.485 4.614 50 0 IJAARN Cc1nn2c3ccccc3n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2nc1=O ZINC000012371994 526315141 /nfs/dbraw/zinc/31/51/41/526315141.db2.gz QKDITUBNLCLOTO-UHFFFAOYSA-N 0 0 446.551 4.536 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012786156 526324618 /nfs/dbraw/zinc/32/46/18/526324618.db2.gz CMYPDCJTTAZVRG-SANMLTNESA-N 0 0 432.539 4.537 50 0 IJAARN O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000012786151 526324631 /nfs/dbraw/zinc/32/46/31/526324631.db2.gz CMYPDCJTTAZVRG-AREMUKBSSA-N 0 0 432.539 4.537 50 0 IJAARN O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000035451339 526351560 /nfs/dbraw/zinc/35/15/60/526351560.db2.gz FLWPHZNDLSRAJK-UHFFFAOYSA-N 0 0 435.568 4.730 50 0 IJAARN Fc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(Cc2ccco2)CC3)cc1F ZINC000034755534 526359102 /nfs/dbraw/zinc/35/91/02/526359102.db2.gz OSSMIGPKIJOTPF-UHFFFAOYSA-N 0 0 426.467 4.689 50 0 IJAARN O=C(CC1CCCCC1)N1CCC[C@H](COc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000033311084 526360360 /nfs/dbraw/zinc/36/03/60/526360360.db2.gz QETIMIVNHFLVMC-QFIPXVFZSA-N 0 0 426.601 4.901 50 0 IJAARN Cc1nnc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2C)s1 ZINC000012573192 526379271 /nfs/dbraw/zinc/37/92/71/526379271.db2.gz REZFTNZVLLAGGH-QFIPXVFZSA-N 0 0 434.590 4.903 50 0 IJAARN O=C(CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1Cl)Nc1ccc(F)cc1 ZINC000036010066 526381911 /nfs/dbraw/zinc/38/19/11/526381911.db2.gz PAIGQMTVAATPAN-HSZRJFAPSA-N 0 0 425.891 4.631 50 0 IJAARN O=C(CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1Cl)Nc1ccc(F)cc1 ZINC000036010067 526382542 /nfs/dbraw/zinc/38/25/42/526382542.db2.gz PAIGQMTVAATPAN-QHCPKHFHSA-N 0 0 425.891 4.631 50 0 IJAARN O=C(NCCc1ccc(Cl)cc1)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000012781982 526404696 /nfs/dbraw/zinc/40/46/96/526404696.db2.gz VWWPILVSIFPDPU-UHFFFAOYSA-N 0 0 449.967 4.581 50 0 IJAARN O=C([C@@H]1CC(Cc2cccc3ccccc32)=NO1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000014886552 526458457 /nfs/dbraw/zinc/45/84/57/526458457.db2.gz YJNNLLBIRJJSGX-UPVQGACJSA-N 0 0 434.561 4.561 50 0 IJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(Br)cc1F ZINC000033263787 526460563 /nfs/dbraw/zinc/46/05/63/526460563.db2.gz JTMFZGUSXQJSIH-UHFFFAOYSA-N 0 0 446.324 4.812 50 0 IJAARN c1ccc(CCc2nc3sc4c(c3c(N3CCC5(CC3)OCCO5)n2)CCCC4)cc1 ZINC000035848808 526466502 /nfs/dbraw/zinc/46/65/02/526466502.db2.gz GXEXVHBXCCGEDA-UHFFFAOYSA-N 0 0 435.593 4.699 50 0 IJAARN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000022837192 526520837 /nfs/dbraw/zinc/52/08/37/526520837.db2.gz DMMWLFCMTJHKIQ-UHFFFAOYSA-N 0 0 443.459 4.607 50 0 IJAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000013113211 526528280 /nfs/dbraw/zinc/52/82/80/526528280.db2.gz JCKVOGFYRAVXLR-UHFFFAOYSA-N 0 0 427.595 4.603 50 0 IJAARN O=C(CCS[C@@H]1CCc2ccccc2NC1=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000012321869 526540680 /nfs/dbraw/zinc/54/06/80/526540680.db2.gz ZRADIKHFBMDVKL-OAQYLSRUSA-N 0 0 425.529 4.692 50 0 IJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012758197 526575301 /nfs/dbraw/zinc/57/53/01/526575301.db2.gz IISUHWVWSIPBNP-XHBUVVKHSA-N 0 0 436.581 4.536 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)CSc3nc(C)c(C)n3C[C@@H]3CCCO3)c2)cs1 ZINC000021569558 526587197 /nfs/dbraw/zinc/58/71/97/526587197.db2.gz XRQVGCOREUCVMA-IBGZPJMESA-N 0 0 442.610 4.842 50 0 IJAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000020608346 526588301 /nfs/dbraw/zinc/58/83/01/526588301.db2.gz MRYBKOMUQLDNNR-UHFFFAOYSA-N 0 0 434.298 4.746 50 0 IJAARN O=C(c1cc(Cl)sc1Cl)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000015391710 526613812 /nfs/dbraw/zinc/61/38/12/526613812.db2.gz JJHYROORIOINGF-UHFFFAOYSA-N 0 0 434.320 4.905 50 0 IJAARN O=C(c1cc2occc2c(Nc2ccc(Cl)cc2)n1)N1CCN(c2ccccn2)CC1 ZINC000035503239 526644691 /nfs/dbraw/zinc/64/46/91/526644691.db2.gz OWUYDAWBTYPAFQ-UHFFFAOYSA-N 0 0 433.899 4.582 50 0 IJAARN O=C(CCc1nc(CSc2nc3ccccc3[nH]2)no1)Nc1cccc2ccccc21 ZINC000033270698 526651670 /nfs/dbraw/zinc/65/16/70/526651670.db2.gz UVDXQUPYCMWLLJ-UHFFFAOYSA-N 0 0 429.505 4.963 50 0 IJAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012935073 526653709 /nfs/dbraw/zinc/65/37/09/526653709.db2.gz CAPSEJOYXSIYGM-UHFFFAOYSA-N 0 0 445.331 4.925 50 0 IJAARN O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012092267 526655713 /nfs/dbraw/zinc/65/57/13/526655713.db2.gz VDZACNRQXSEDOR-QGZVFWFLSA-N 0 0 438.503 4.887 50 0 IJAARN O=C(c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1)N1CCCCC1 ZINC000035477560 526669012 /nfs/dbraw/zinc/66/90/12/526669012.db2.gz URZPNKPOFIRZCO-UHFFFAOYSA-N 0 0 448.954 4.767 50 0 IJAARN O=C(CCn1ccc(C(=O)Nc2ccc(F)c(Cl)c2)n1)Nc1ccc(F)c(Cl)c1 ZINC000020617260 526672339 /nfs/dbraw/zinc/67/23/39/526672339.db2.gz LAKFHURWHADJJK-UHFFFAOYSA-N 0 0 439.249 4.749 50 0 IJAARN O=C(NCc1ccc(F)cc1)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000036041282 526674521 /nfs/dbraw/zinc/67/45/21/526674521.db2.gz PRDBZPGXQMHAFL-GOTSBHOMSA-N 0 0 436.914 4.651 50 0 IJAARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(OC(F)F)cc2)s1 ZINC000012913742 526675986 /nfs/dbraw/zinc/67/59/86/526675986.db2.gz KBZHEKVOLGALBQ-DHDCSXOGSA-N 0 0 439.846 4.946 50 0 IJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nnc(Cc4ccccc4)s3)c12 ZINC000021565459 526677612 /nfs/dbraw/zinc/67/76/12/526677612.db2.gz FEXHUFQFFCBQJY-UHFFFAOYSA-N 0 0 427.489 4.893 50 0 IJAARN O=C(CCn1cnc2cc(-c3noc(C4(c5ccccc5)CC4)n3)ccc21)N1CCCCC1 ZINC000035460324 526682282 /nfs/dbraw/zinc/68/22/82/526682282.db2.gz OMPSSGWLGLZMTN-UHFFFAOYSA-N 0 0 441.535 4.569 50 0 IJAARN O=C(CCn1cnc2sccc2c1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000012255436 526685887 /nfs/dbraw/zinc/68/58/87/526685887.db2.gz MLQHZUOCHLCOQO-UHFFFAOYSA-N 0 0 448.529 4.889 50 0 IJAARN O=C(c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000035505035 526736664 /nfs/dbraw/zinc/73/66/64/526736664.db2.gz HCLNTTWHUTUBRJ-UHFFFAOYSA-N 0 0 448.929 4.840 50 0 IJAARN O=C(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021707691 526744675 /nfs/dbraw/zinc/74/46/75/526744675.db2.gz WPBCMBMYRLLABU-UHFFFAOYSA-N 0 0 428.467 4.505 50 0 IJAARN O=C(NCc1ccccc1Cl)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000016293170 526748749 /nfs/dbraw/zinc/74/87/49/526748749.db2.gz QGBJVEVZJXPEMM-UHFFFAOYSA-N 0 0 448.950 4.957 50 0 IJAARN Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1cc(C)cc2c1OCC(=O)NC2 ZINC000012446740 526767649 /nfs/dbraw/zinc/76/76/49/526767649.db2.gz ZSEYZAPNUCIMAO-UHFFFAOYSA-N 0 0 434.536 4.625 50 0 IJAARN O=C(c1ccccc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000021755571 526792421 /nfs/dbraw/zinc/79/24/21/526792421.db2.gz GQUTZBMKMVWCGK-UHFFFAOYSA-N 0 0 440.952 4.875 50 0 IJAARN Cc1occc1C(=O)NCc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)oc1C ZINC000012097168 526809998 /nfs/dbraw/zinc/80/99/98/526809998.db2.gz BHOYXYMNUOOXRV-UHFFFAOYSA-N 0 0 429.476 4.663 50 0 IJAARN O=C(c1cccnc1Oc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024355298 526823289 /nfs/dbraw/zinc/82/32/89/526823289.db2.gz DAZLVYFXWSFRKY-UHFFFAOYSA-N 0 0 442.441 4.640 50 0 IJAARN O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012577838 526865009 /nfs/dbraw/zinc/86/50/09/526865009.db2.gz LWDZFVPGPKPRFB-UHFFFAOYSA-N 0 0 437.503 4.641 50 0 IJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000035554905 526865823 /nfs/dbraw/zinc/86/58/23/526865823.db2.gz XVTUFNNWAHQIHZ-CYBMUJFWSA-N 0 0 442.928 4.629 50 0 IJAARN O=C(CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1)NCc1ccc(Cl)cc1 ZINC000020679541 526874312 /nfs/dbraw/zinc/87/43/12/526874312.db2.gz XRIRXSPQBUFBNC-UHFFFAOYSA-N 0 0 448.007 4.805 50 0 IJAARN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012577204 526954783 /nfs/dbraw/zinc/95/47/83/526954783.db2.gz QQJHPUJDEMYBQR-INIZCTEOSA-N 0 0 434.721 4.721 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nnc2n1CCCCC2 ZINC000012825221 526955506 /nfs/dbraw/zinc/95/55/06/526955506.db2.gz QWBCXNFUPONLRW-UHFFFAOYSA-N 0 0 431.323 4.996 50 0 IJAARN O=C1C(=O)N(OCc2ccc(Cl)cc2)[C@H]2CCCC[C@H]2N1OCc1ccc(Cl)cc1 ZINC000016034704 526956921 /nfs/dbraw/zinc/95/69/21/526956921.db2.gz HLDVEGQHXFBFIU-BGYRXZFFSA-N 0 0 449.334 4.539 50 0 IJAARN Clc1ccccc1-c1nnc([C@H](c2ccccc2)N2CCN(c3ccccn3)CC2)o1 ZINC000020509649 526985226 /nfs/dbraw/zinc/98/52/26/526985226.db2.gz MJOPWGJGXCMLTM-QFIPXVFZSA-N 0 0 431.927 4.697 50 0 IJAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(N2CCOCC2)n1 ZINC000021795559 527003013 /nfs/dbraw/zinc/00/30/13/527003013.db2.gz VVQONUAPSWRQQS-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN O=C(CSC1=NCN(C2CCCC2)CN1c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000012374577 527010753 /nfs/dbraw/zinc/01/07/53/527010753.db2.gz RHMZURUUUPROBB-UHFFFAOYSA-N 0 0 430.524 4.672 50 0 IJAARN O=C1C[C@@H](c2ccccc2Br)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725732 527024392 /nfs/dbraw/zinc/02/43/92/527024392.db2.gz XRVIXEKBPYPWFW-LBPRGKRZSA-N 0 0 425.311 4.719 50 0 IJAARN O=C1C[C@H](c2cccc(Br)c2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725729 527031564 /nfs/dbraw/zinc/03/15/64/527031564.db2.gz UURRCPNQFUWWLD-CYBMUJFWSA-N 0 0 425.311 4.719 50 0 IJAARN O=C1C[C@H](c2ccc(F)cc2F)c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2N1 ZINC000021784926 527031986 /nfs/dbraw/zinc/03/19/86/527031986.db2.gz OOYBEIYODJNRCS-CQSZACIVSA-N 0 0 433.867 4.880 50 0 IJAARN O=C(CSc1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000017290519 527035197 /nfs/dbraw/zinc/03/51/97/527035197.db2.gz PIPBSUXYVPHAFJ-UHFFFAOYSA-N 0 0 432.414 4.551 50 0 IJAARN Cn1c(CCc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc2ccccc21 ZINC000021357712 527050356 /nfs/dbraw/zinc/05/03/56/527050356.db2.gz UNNZIARUOHSEPF-UHFFFAOYSA-N 0 0 428.492 4.774 50 0 IJAARN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccc(F)cc1F ZINC000016525654 527051501 /nfs/dbraw/zinc/05/15/01/527051501.db2.gz XYIQNNFLPGAIBR-UHFFFAOYSA-N 0 0 430.457 4.926 50 0 IJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1c[nH]c2ccccc21 ZINC000012631797 527075756 /nfs/dbraw/zinc/07/57/56/527075756.db2.gz HCUISSVWLLUVKT-KRWDZBQOSA-N 0 0 436.512 4.720 50 0 IJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)c1c[nH]c2ccccc12 ZINC000035453990 527077739 /nfs/dbraw/zinc/07/77/39/527077739.db2.gz YGYUQNNEPBSYJN-UHFFFAOYSA-N 0 0 446.532 4.898 50 0 IJAARN Cn1c2cc(NC(=O)c3sc4ccccc4c3Cl)c(N3CCCC3)cc2n(C)c1=O ZINC000021777003 527097239 /nfs/dbraw/zinc/09/72/39/527097239.db2.gz PAYRUCFURSVLFD-UHFFFAOYSA-N 0 0 440.956 4.598 50 0 IJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000035828518 527110756 /nfs/dbraw/zinc/11/07/56/527110756.db2.gz QJAIQSRXULGGAZ-DNVJHFABSA-N 0 0 426.497 4.952 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000012898792 527155435 /nfs/dbraw/zinc/15/54/35/527155435.db2.gz MNDQXSNPVCTNTR-INIZCTEOSA-N 0 0 441.247 4.711 50 0 IJAARN O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531254 527156921 /nfs/dbraw/zinc/15/69/21/527156921.db2.gz WXPSJGXPYPPQQE-NRFANRHFSA-N 0 0 435.321 4.655 50 0 IJAARN O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022767580 527190125 /nfs/dbraw/zinc/19/01/25/527190125.db2.gz POVOBQGWUSOGLM-JOCHJYFZSA-N 0 0 447.025 4.621 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccc(N3CCCC3=O)cc2)cs1 ZINC000012567549 527199341 /nfs/dbraw/zinc/19/93/41/527199341.db2.gz DTCRDFSHFFEEHR-UHFFFAOYSA-N 0 0 429.904 4.911 50 0 IJAARN Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000017144109 527202923 /nfs/dbraw/zinc/20/29/23/527202923.db2.gz JSWDEIRXMMHVGG-UHFFFAOYSA-N 0 0 443.265 4.787 50 0 IJAARN Cc1nc2sc3c(c2c2nc(-c4ccccc4O)nn21)CCN(Cc1ccccc1)C3 ZINC000020567226 527208228 /nfs/dbraw/zinc/20/82/28/527208228.db2.gz WORUBWCSIWREPW-UHFFFAOYSA-N 0 0 427.533 4.578 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000021116984 527223252 /nfs/dbraw/zinc/22/32/52/527223252.db2.gz QTOGQPVSAFVSLO-UHFFFAOYSA-N 0 0 435.915 4.714 50 0 IJAARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012195191 527225687 /nfs/dbraw/zinc/22/56/87/527225687.db2.gz CXACWABKKZEOMW-UHFFFAOYSA-N 0 0 447.988 4.513 50 0 IJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012736409 527229658 /nfs/dbraw/zinc/22/96/58/527229658.db2.gz IXHTXATXDUANLT-UHFFFAOYSA-N 0 0 438.531 4.687 50 0 IJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021007151 527233997 /nfs/dbraw/zinc/23/39/97/527233997.db2.gz JBNNEZYGAXVWNT-QGZVFWFLSA-N 0 0 441.578 4.531 50 0 IJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1)NCc1cccnc1 ZINC000034675983 527234420 /nfs/dbraw/zinc/23/44/20/527234420.db2.gz LEWFKRUVZORNES-UHFFFAOYSA-N 0 0 443.478 4.520 50 0 IJAARN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000012778784 527250415 /nfs/dbraw/zinc/25/04/15/527250415.db2.gz JXBOKLXCLDDUTF-UHFFFAOYSA-N 0 0 436.269 4.674 50 0 IJAARN O=S(=O)(c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1)N1CCc2ccccc21 ZINC000035527582 527265603 /nfs/dbraw/zinc/26/56/03/527265603.db2.gz UXZVCYAHAXPTPA-UHFFFAOYSA-N 0 0 443.937 4.870 50 0 IJAARN O=S(=O)(c1ccc(-c2nnc(C3CCCC3)o2)s1)N1CC=C(c2ccccc2)CC1 ZINC000035422178 527267523 /nfs/dbraw/zinc/26/75/23/527267523.db2.gz PEJDRFOMBIMCKT-UHFFFAOYSA-N 0 0 441.578 4.934 50 0 IJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1N1CCc2ccccc2C1)c1ccccc1 ZINC000035373021 527295747 /nfs/dbraw/zinc/29/57/47/527295747.db2.gz JNIMRQBKXMYYTM-UHFFFAOYSA-N 0 0 434.492 4.876 50 0 IJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1ccc2ccccc2n1 ZINC000011665557 527308732 /nfs/dbraw/zinc/30/87/32/527308732.db2.gz CBBFYNCPVLSGIT-UHFFFAOYSA-N 0 0 443.470 4.654 50 0 IJAARN Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)C2 ZINC000012754283 527317886 /nfs/dbraw/zinc/31/78/86/527317886.db2.gz LATYXOMKUDWZMS-BEFAXECRSA-N 0 0 440.897 4.567 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(Br)cc1Cl ZINC000022060260 527366797 /nfs/dbraw/zinc/36/67/97/527366797.db2.gz REGKRJOMPVOGKW-UHFFFAOYSA-N 0 0 444.034 4.575 50 0 IJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1Cl)CO2 ZINC000033121650 527395962 /nfs/dbraw/zinc/39/59/62/527395962.db2.gz MYUBBZSOZVOKSY-GOSISDBHSA-N 0 0 435.911 4.852 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4cccs4)nc3sc2c1=O)Nc1ccc(F)cc1 ZINC000033284027 527400124 /nfs/dbraw/zinc/40/01/24/527400124.db2.gz NJZFHSOSALYNKE-UHFFFAOYSA-N 0 0 436.493 4.513 50 0 IJAARN O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccsc3)n(CCC3=CCCCC3)c21 ZINC000012488063 527434884 /nfs/dbraw/zinc/43/48/84/527434884.db2.gz JIVLDPSNSKXPLV-UHFFFAOYSA-N 0 0 432.549 4.554 50 0 IJAARN O=C(Nc1cccnc1Cl)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000035180977 527447601 /nfs/dbraw/zinc/44/76/01/527447601.db2.gz CRWLEVXSCRVFFP-UHFFFAOYSA-N 0 0 438.890 4.959 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012539774 527465500 /nfs/dbraw/zinc/46/55/00/527465500.db2.gz GLNNADFGLOJBMR-HSZRJFAPSA-N 0 0 433.458 4.797 50 0 IJAARN O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)C3=CCCCC3)CC2)c(Cl)c1 ZINC000012588142 527510897 /nfs/dbraw/zinc/51/08/97/527510897.db2.gz PDVQUPLRLTYHAI-UHFFFAOYSA-N 0 0 430.976 4.883 50 0 IJAARN OC1(c2ccc3c(c2)CN(Cc2ccsc2)CCO3)CCN(c2ccccc2F)CC1 ZINC000012451945 527513817 /nfs/dbraw/zinc/51/38/17/527513817.db2.gz LQBZXSQLSQCCPN-UHFFFAOYSA-N 0 0 438.568 4.770 50 0 IJAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1SCc1cccs1 ZINC000012795462 527524475 /nfs/dbraw/zinc/52/44/75/527524475.db2.gz RMNIEGMOZXRGJA-UHFFFAOYSA-N 0 0 426.563 4.668 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000012542099 527528991 /nfs/dbraw/zinc/52/89/91/527528991.db2.gz UJIJVMAEOQMMRF-VGSWGCGISA-N 0 0 440.906 4.719 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892867 527529186 /nfs/dbraw/zinc/52/91/86/527529186.db2.gz SWDUFCPTBCNKBZ-SFHVURJKSA-N 0 0 432.318 4.857 50 0 IJAARN Cn1cnnc1Sc1ccc(CN2CCC[C@H](C(=O)c3cccc4ccccc43)C2)o1 ZINC000012458368 527529413 /nfs/dbraw/zinc/52/94/13/527529413.db2.gz ZIQNWUQJZJMKEF-SFHVURJKSA-N 0 0 432.549 4.807 50 0 IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 ZINC000036616534 527530325 /nfs/dbraw/zinc/53/03/25/527530325.db2.gz WNKPFZZJSPMWPH-UHFFFAOYSA-N 0 0 440.482 4.674 50 0 IJAARN Nc1nc(-c2ccc(Cl)s2)c([C@]2(O)C(=O)Nc3c2cc(Cl)cc3Cl)s1 ZINC000012566923 527540257 /nfs/dbraw/zinc/54/02/57/527540257.db2.gz ACVYTTYOPIBSDG-HNNXBMFYSA-N 0 0 432.741 4.602 50 0 IJAARN OCCN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000012300292 527551442 /nfs/dbraw/zinc/55/14/42/527551442.db2.gz GJANGYPPKRZJJE-UHFFFAOYSA-N 0 0 449.517 4.690 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)c12 ZINC000036616515 527555503 /nfs/dbraw/zinc/55/55/03/527555503.db2.gz MIPUEYIPCAKGCR-JOCHJYFZSA-N 0 0 442.567 4.648 50 0 IJAARN Cc1nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320729 527569491 /nfs/dbraw/zinc/56/94/91/527569491.db2.gz MMRNFFVQJLKTAK-UHFFFAOYSA-N 0 0 434.540 4.534 50 0 IJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000021660845 527571799 /nfs/dbraw/zinc/57/17/99/527571799.db2.gz UZTQEPMFPWGCMF-LBPRGKRZSA-N 0 0 441.260 4.698 50 0 IJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012759696 527625184 /nfs/dbraw/zinc/62/51/84/527625184.db2.gz DAMGEEYYQASZFG-CMDGGOBGSA-N 0 0 431.483 4.673 50 0 IJAARN O=C(/C=C/c1ccccc1)OC[C@@H]1[C@H](COC(=O)/C=C\c2ccccc2)C1(Cl)Cl ZINC000034705950 527634391 /nfs/dbraw/zinc/63/43/91/527634391.db2.gz OPEOMUGBUBKGGU-VBQWQPJLSA-N 0 0 431.315 4.920 50 0 IJAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020738746 527656216 /nfs/dbraw/zinc/65/62/16/527656216.db2.gz ILWZBQMRNKDFCE-XMMPIXPASA-N 0 0 433.939 4.918 50 0 IJAARN FC(F)(F)c1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1 ZINC000012865117 527682078 /nfs/dbraw/zinc/68/20/78/527682078.db2.gz HVXOZIRDCFTOHH-UHFFFAOYSA-N 0 0 448.514 4.643 50 0 IJAARN CC(C)c1cccc(C(C)C)c1NC(=O)COc1nc2ccccc2nc1N1CCOCC1 ZINC000002643358 535374983 /nfs/dbraw/zinc/37/49/83/535374983.db2.gz YNJSIGINVWJFIT-UHFFFAOYSA-N 0 0 448.567 4.731 50 0 IJAARN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCC[C@H](C)C3)c2cc1OC ZINC000002225443 535692435 /nfs/dbraw/zinc/69/24/35/535692435.db2.gz DWAKLUDXVLDNHY-INIZCTEOSA-N 0 0 437.540 4.958 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCc3ccccc32)c1 ZINC000003216066 536298261 /nfs/dbraw/zinc/29/82/61/536298261.db2.gz KPMJMXJPGNGNJQ-UHFFFAOYSA-N 0 0 440.952 4.758 50 0 IJAARN COc1ccccc1N1CCN(C(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000001230620 537066637 /nfs/dbraw/zinc/06/66/37/537066637.db2.gz UYLOTFIFRHNBLY-UHFFFAOYSA-N 0 0 442.559 4.814 50 0 IJAARN COc1ccc(C(=O)N=c2sc3ccccc3n2CC(=O)c2ccc(Cl)cc2)cc1 ZINC000000624275 555511675 /nfs/dbraw/zinc/51/16/75/555511675.db2.gz BKJCFCAARJYKCW-BZZOAKBMSA-N 0 0 436.920 4.989 50 0 IJAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cnc(-c3ccc(OC)cc3OC)cc12 ZINC000000633265 555515760 /nfs/dbraw/zinc/51/57/60/555515760.db2.gz AMJLQXIVIBISTJ-UHFFFAOYSA-N 0 0 444.487 4.735 50 0 IJAARN Cc1ccc(CN(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000642125 555518722 /nfs/dbraw/zinc/51/87/22/555518722.db2.gz ATZXXOJEJZXTHI-UHFFFAOYSA-N 0 0 436.577 4.948 50 0 IJAARN O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000000643361 555519229 /nfs/dbraw/zinc/51/92/29/555519229.db2.gz LXGYWFFKKYMJOG-INIZCTEOSA-N 0 0 435.321 4.693 50 0 IJAARN COc1ccc(CCNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000000643341 555519323 /nfs/dbraw/zinc/51/93/23/555519323.db2.gz LBKXLRRTHGFYAC-UHFFFAOYSA-N 0 0 448.997 4.932 50 0 IJAARN COC(=O)c1ccc(NC(=O)c2c3c(sc2NC(C)=O)C[C@H](C(C)(C)C)CC3)cc1 ZINC000000644069 555519769 /nfs/dbraw/zinc/51/97/69/555519769.db2.gz QMPFYNNZXIWQPP-OAHLLOKOSA-N 0 0 428.554 4.896 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000000656954 555525409 /nfs/dbraw/zinc/52/54/09/555525409.db2.gz QMLJKPTXRLMTEB-JLHYYAGUSA-N 0 0 432.517 4.506 50 0 IJAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000669287 555530163 /nfs/dbraw/zinc/53/01/63/555530163.db2.gz FSVMCNBSWYAVPF-DEOSSOPVSA-N 0 0 434.492 4.882 50 0 IJAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O)C(=O)c1ccccc1 ZINC000000670122 555530472 /nfs/dbraw/zinc/53/04/72/555530472.db2.gz BRFYSPMQMUHVTM-AWEZNQCLSA-N 0 0 433.847 4.569 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Br ZINC000000671085 555530977 /nfs/dbraw/zinc/53/09/77/555530977.db2.gz YXMZSFTWMYLVJK-UHFFFAOYSA-N 0 0 449.301 4.641 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000000671238 555531353 /nfs/dbraw/zinc/53/13/53/555531353.db2.gz DQXCKSGKJIWPFJ-UHFFFAOYSA-N 0 0 428.282 4.797 50 0 IJAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 ZINC000000674849 555533815 /nfs/dbraw/zinc/53/38/15/555533815.db2.gz OUULOMTZXUBWJE-PMACEKPBSA-N 0 0 444.457 4.824 50 0 IJAARN Cc1c(Cl)cccc1NC(=S)NC(=O)COc1ccc(Br)cc1Cl ZINC000000676717 555534885 /nfs/dbraw/zinc/53/48/85/555534885.db2.gz WXZOBMSYSVRBTD-UHFFFAOYSA-N 0 0 448.169 4.956 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000000678187 555535696 /nfs/dbraw/zinc/53/56/96/555535696.db2.gz MQVWCALHBVXTII-UHFFFAOYSA-N 0 0 428.941 4.867 50 0 IJAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2nc1SCc1ccccc1 ZINC000000678770 555536274 /nfs/dbraw/zinc/53/62/74/555536274.db2.gz JVSQUSWWZIFPJK-UHFFFAOYSA-N 0 0 431.517 4.754 50 0 IJAARN CCOc1cc(CNc2ccccc2)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000000679371 555536893 /nfs/dbraw/zinc/53/68/93/555536893.db2.gz IQONWZHODANIIE-UHFFFAOYSA-N 0 0 435.362 4.753 50 0 IJAARN CSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)N(C(C)=O)c1ccccc1-2 ZINC000000683333 555538672 /nfs/dbraw/zinc/53/86/72/555538672.db2.gz SGWNLMWHEXWZBX-MRXNPFEDSA-N 0 0 449.355 4.529 50 0 IJAARN CCOc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc(OCC)c1OCC ZINC000000689138 555541332 /nfs/dbraw/zinc/54/13/32/555541332.db2.gz SXFNPQVCLVXMLM-UHFFFAOYSA-N 0 0 447.553 4.862 50 0 IJAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ncnc3sc4c(c32)CCC4)C1=O ZINC000000706748 555545093 /nfs/dbraw/zinc/54/50/93/555545093.db2.gz NVGZPDLNYQDLPN-QGZVFWFLSA-N 0 0 441.553 4.633 50 0 IJAARN O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(C(F)(F)F)c1 ZINC000000720753 555549988 /nfs/dbraw/zinc/54/99/88/555549988.db2.gz UVTHWVMWBLCZPQ-SFTDATJTSA-N 0 0 427.378 4.970 50 0 IJAARN COc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(OC)c1 ZINC000000724294 555551092 /nfs/dbraw/zinc/55/10/92/555551092.db2.gz VJTLAXWGXWQSJQ-UHFFFAOYSA-N 0 0 445.338 4.746 50 0 IJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1I ZINC000000725194 555551322 /nfs/dbraw/zinc/55/13/22/555551322.db2.gz WDJAMXNHIGIVTC-UHFFFAOYSA-N 0 0 428.225 4.741 50 0 IJAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000834619 555566928 /nfs/dbraw/zinc/56/69/28/555566928.db2.gz ZZDKMNYUQADVIY-JTQLQIEISA-N 0 0 428.113 4.748 50 0 IJAARN CN(c1ccc(C(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000000835464 555567014 /nfs/dbraw/zinc/56/70/14/555567014.db2.gz YQFLPIQZABQAJO-UHFFFAOYSA-N 0 0 445.338 4.527 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2)sc1NC(=O)c1cccc(F)c1 ZINC000000871395 555575552 /nfs/dbraw/zinc/57/55/52/555575552.db2.gz ABGIDQKMZWYIDL-UHFFFAOYSA-N 0 0 426.469 4.795 50 0 IJAARN CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000000873162 555575856 /nfs/dbraw/zinc/57/58/56/555575856.db2.gz YBIMSTTUKPOPJC-UHFFFAOYSA-N 0 0 433.940 4.742 50 0 IJAARN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2cccnc2)cc1 ZINC000000875814 555576119 /nfs/dbraw/zinc/57/61/19/555576119.db2.gz MAHRSWIVHNSWJO-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1OC ZINC000000881648 555577719 /nfs/dbraw/zinc/57/77/19/555577719.db2.gz ZLTBHPYDRLEXBH-UHFFFAOYSA-N 0 0 433.489 4.639 50 0 IJAARN CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000000903535 555581678 /nfs/dbraw/zinc/58/16/78/555581678.db2.gz RJPXHLIVZRJZGB-UHFFFAOYSA-N 0 0 434.924 4.709 50 0 IJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cccc(OC)c1 ZINC000000938650 555586486 /nfs/dbraw/zinc/58/64/86/555586486.db2.gz LIIFQBIXDXQWQY-UHFFFAOYSA-N 0 0 441.505 4.870 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000943693 555587700 /nfs/dbraw/zinc/58/77/00/555587700.db2.gz DLVMPUBZBIEDLJ-UHFFFAOYSA-N 0 0 427.913 4.735 50 0 IJAARN COc1cc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 ZINC000000953824 555589699 /nfs/dbraw/zinc/58/96/99/555589699.db2.gz GSEOQBJOMNJSQM-WYMLVPIESA-N 0 0 427.504 4.523 50 0 IJAARN CCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 ZINC000000955188 555590090 /nfs/dbraw/zinc/59/00/90/555590090.db2.gz IQJXSJZQFJTKCI-UHFFFAOYSA-N 0 0 439.924 4.816 50 0 IJAARN COc1cccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3n2)c1 ZINC000000995091 555598408 /nfs/dbraw/zinc/59/84/08/555598408.db2.gz TXAJOPUKAYHCKM-UHFFFAOYSA-N 0 0 442.515 4.900 50 0 IJAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(OC)c1OCc1ccccc1C ZINC000000996523 555598656 /nfs/dbraw/zinc/59/86/56/555598656.db2.gz PWXODGYAXOCXIB-BKUYFWCQSA-N 0 0 429.472 4.936 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 ZINC000000997928 555599298 /nfs/dbraw/zinc/59/92/98/555599298.db2.gz BJVDWKLWOHVEIJ-UHFFFAOYSA-N 0 0 428.444 4.900 50 0 IJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000000997653 555599356 /nfs/dbraw/zinc/59/93/56/555599356.db2.gz HFFLHMCGYSCERT-UHFFFAOYSA-N 0 0 435.542 4.990 50 0 IJAARN NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)cc1 ZINC000000998883 555599629 /nfs/dbraw/zinc/59/96/29/555599629.db2.gz LNUWGNZOZXKSOG-UHFFFAOYSA-N 0 0 443.937 4.516 50 0 IJAARN COc1ccc(OCC(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000001000710 555600130 /nfs/dbraw/zinc/60/01/30/555600130.db2.gz OTRGSHLNICWZPW-UHFFFAOYSA-N 0 0 449.557 4.864 50 0 IJAARN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000001008549 555601452 /nfs/dbraw/zinc/60/14/52/555601452.db2.gz ULMOADDRVVEPTQ-UHFFFAOYSA-N 0 0 440.540 4.526 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1 ZINC000001011574 555601928 /nfs/dbraw/zinc/60/19/28/555601928.db2.gz SMOVLGDTYYTHOR-UHFFFAOYSA-N 0 0 448.466 4.848 50 0 IJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccccc1Cl ZINC000001020401 555603649 /nfs/dbraw/zinc/60/36/49/555603649.db2.gz AEKGRVNPIFGOPK-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccc(Cl)cc1 ZINC000001020403 555603659 /nfs/dbraw/zinc/60/36/59/555603659.db2.gz QNHFKFULIRNRPF-UHFFFAOYSA-N 0 0 447.969 4.500 50 0 IJAARN O=S(=O)(Cc1nc(COc2c(Cl)cccc2Cl)no1)c1ccc(Cl)cc1 ZINC000001047727 555611483 /nfs/dbraw/zinc/61/14/83/555611483.db2.gz KEUSYHOXCKUFGJ-UHFFFAOYSA-N 0 0 433.700 4.583 50 0 IJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000001059862 555615835 /nfs/dbraw/zinc/61/58/35/555615835.db2.gz GFTOQNYXPTZIEE-UHFFFAOYSA-N 0 0 432.505 4.642 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c1 ZINC000001067541 555619092 /nfs/dbraw/zinc/61/90/92/555619092.db2.gz WTMRSGPNHKUZPF-UHFFFAOYSA-N 0 0 431.444 4.738 50 0 IJAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000001075682 555623881 /nfs/dbraw/zinc/62/38/81/555623881.db2.gz MKTLOOILSRYCEN-CQSZACIVSA-N 0 0 448.903 4.577 50 0 IJAARN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 ZINC000001091377 555627266 /nfs/dbraw/zinc/62/72/66/555627266.db2.gz ACFOJLAQJKRVIR-ZOVQAKDCSA-N 0 0 441.914 4.788 50 0 IJAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000001097301 555628187 /nfs/dbraw/zinc/62/81/87/555628187.db2.gz SYFLJZZSSHFGOB-UHFFFAOYSA-N 0 0 441.258 4.515 50 0 IJAARN O=C(Cn1c(=O)c2c(nc1-c1ccccc1)sc1c2CCCC1)N1CCc2ccccc21 ZINC000001105300 555629267 /nfs/dbraw/zinc/62/92/67/555629267.db2.gz BZSMGEXGJXOEAH-UHFFFAOYSA-N 0 0 441.556 4.593 50 0 IJAARN O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000001113853 555633176 /nfs/dbraw/zinc/63/31/76/555633176.db2.gz UUZWISVUAZWXHQ-KRWDZBQOSA-N 0 0 433.316 4.761 50 0 IJAARN COc1ccc2c(c1)c(CC(=O)OCc1ccccn1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001114713 555633767 /nfs/dbraw/zinc/63/37/67/555633767.db2.gz NMHGVEGJXXLKRN-UHFFFAOYSA-N 0 0 448.906 4.981 50 0 IJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000001115528 555634177 /nfs/dbraw/zinc/63/41/77/555634177.db2.gz LRNSQASRPNJRKY-UHFFFAOYSA-N 0 0 439.375 4.512 50 0 IJAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2C)c(C)cc1I ZINC000001120635 555637695 /nfs/dbraw/zinc/63/76/95/555637695.db2.gz ZLYQXPSRLWLTAF-UHFFFAOYSA-N 0 0 429.685 4.887 50 0 IJAARN CC[C@H](C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001124064 555639421 /nfs/dbraw/zinc/63/94/21/555639421.db2.gz GVGWPCHJEPPILX-ZDUSSCGKSA-N 0 0 429.369 4.766 50 0 IJAARN COCc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1cccc2ccccc21 ZINC000001124619 555639936 /nfs/dbraw/zinc/63/99/36/555639936.db2.gz JQDKXQNPJMESFX-UHFFFAOYSA-N 0 0 438.940 4.951 50 0 IJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000001128744 555643063 /nfs/dbraw/zinc/64/30/63/555643063.db2.gz FEWKNWCZZUFSIY-HNNXBMFYSA-N 0 0 441.512 4.895 50 0 aggregator IJAARN COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC000001128970 555643172 /nfs/dbraw/zinc/64/31/72/555643172.db2.gz YVJNIESHKJGMLP-UHFFFAOYSA-N 0 0 444.940 4.734 50 0 IJAARN CCOc1c(Cl)cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1Cl ZINC000001134169 555646246 /nfs/dbraw/zinc/64/62/46/555646246.db2.gz LBBIUUFHPMMGSO-UHFFFAOYSA-N 0 0 445.349 4.658 50 0 IJAARN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Cl)c(Cl)c1 ZINC000001136025 555646922 /nfs/dbraw/zinc/64/69/22/555646922.db2.gz HDNKOACCDAEZMN-UHFFFAOYSA-N 0 0 428.315 4.985 50 0 IJAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000001138132 555648165 /nfs/dbraw/zinc/64/81/65/555648165.db2.gz ZINITOVDPDPWIX-UHFFFAOYSA-N 0 0 432.904 4.698 50 0 IJAARN Cc1sc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)nc1-c1ccccc1 ZINC000001144344 555652414 /nfs/dbraw/zinc/65/24/14/555652414.db2.gz MCLOPGXALRGIEX-UHFFFAOYSA-N 0 0 435.578 4.569 50 0 IJAARN Cc1cc2nc(SCC(=O)N[C@H](C)c3ccccc3)oc2c(-n2nc3ccccc3n2)c1 ZINC000001148864 555655296 /nfs/dbraw/zinc/65/52/96/555655296.db2.gz KEFWSPCNIRTBPF-MRXNPFEDSA-N 0 0 443.532 4.840 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000001150348 555656053 /nfs/dbraw/zinc/65/60/53/555656053.db2.gz CNLOTYGJJFOMHA-UHFFFAOYSA-N 0 0 438.549 4.612 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000001151718 555656778 /nfs/dbraw/zinc/65/67/78/555656778.db2.gz YAWZRDFXGIAVCG-UHFFFAOYSA-N 0 0 438.952 4.750 50 0 IJAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000001156686 555659266 /nfs/dbraw/zinc/65/92/66/555659266.db2.gz XEBILRHRRRTBQP-MRXNPFEDSA-N 0 0 428.291 4.703 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000001158238 555660208 /nfs/dbraw/zinc/66/02/08/555660208.db2.gz NYTVFIWQTSRYSI-UHFFFAOYSA-N 0 0 433.942 4.608 50 0 IJAARN Cc1cccc(CN(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001161059 555661745 /nfs/dbraw/zinc/66/17/45/555661745.db2.gz LWTWTJNCUVQXLZ-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN Cc1cccc(CN(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001161811 555662312 /nfs/dbraw/zinc/66/23/12/555662312.db2.gz LXLFNVVESAXAMV-UHFFFAOYSA-N 0 0 446.931 4.617 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001169739 555665885 /nfs/dbraw/zinc/66/58/85/555665885.db2.gz LTRHEJXVOGIRNP-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 ZINC000001169798 555665946 /nfs/dbraw/zinc/66/59/46/555665946.db2.gz RUZRIMIGIRRVJR-UHFFFAOYSA-N 0 0 428.941 4.791 50 0 IJAARN Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1Cl ZINC000001170167 555666157 /nfs/dbraw/zinc/66/61/57/555666157.db2.gz UWPQRYCLAFYSAW-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001177230 555670272 /nfs/dbraw/zinc/67/02/72/555670272.db2.gz YPMIWULBUFZQHG-UHFFFAOYSA-N 0 0 434.989 4.865 50 0 IJAARN CC(=O)c1cccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001180914 555671669 /nfs/dbraw/zinc/67/16/69/555671669.db2.gz MDVGPNRKIHIJBX-UHFFFAOYSA-N 0 0 427.323 4.932 50 0 IJAARN COc1ccc(Nc2nnc(-c3cc4cc(Br)ccc4oc3=O)s2)cc1 ZINC000001183837 555673119 /nfs/dbraw/zinc/67/31/19/555673119.db2.gz YQOMAMLHGGLVMA-UHFFFAOYSA-N 0 0 430.283 4.826 50 0 IJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001206107 555680654 /nfs/dbraw/zinc/68/06/54/555680654.db2.gz WRWZMJZCIUGQAJ-VZUCSPMQSA-N 0 0 439.364 4.820 50 0 IJAARN CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 ZINC000001209604 555681886 /nfs/dbraw/zinc/68/18/86/555681886.db2.gz VGHNVHJXJBBESD-UHFFFAOYSA-N 0 0 446.507 4.787 50 0 IJAARN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000001214156 555683408 /nfs/dbraw/zinc/68/34/08/555683408.db2.gz MYHONHHSLXLQLN-UHFFFAOYSA-N 0 0 430.529 4.982 50 0 IJAARN Cc1cccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000001410975 555694340 /nfs/dbraw/zinc/69/43/40/555694340.db2.gz POJHPHRLCJWLLZ-UHFFFAOYSA-N 0 0 430.529 4.982 50 0 IJAARN COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000001416747 555695248 /nfs/dbraw/zinc/69/52/48/555695248.db2.gz BUUVJFCPCZFVDU-QGMBQPNBSA-N 0 0 437.876 4.741 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000001446137 555699058 /nfs/dbraw/zinc/69/90/58/555699058.db2.gz NVZBLYSFAATEJH-VXKWHMMOSA-N 0 0 425.843 4.739 50 0 IJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1CCc1ccc(F)cc1 ZINC000001446134 555699077 /nfs/dbraw/zinc/69/90/77/555699077.db2.gz KMOLZGDAQJBCPU-PKTZIBPZSA-N 0 0 439.870 4.781 50 0 IJAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OC4CCC(C)CC4)c(C)c3C(=O)C2)cc1OC ZINC000001461219 555700532 /nfs/dbraw/zinc/70/05/32/555700532.db2.gz ZWBFTXFKFZPEAO-ZCDVPAHGSA-N 0 0 425.525 4.989 50 0 IJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001471290 555701575 /nfs/dbraw/zinc/70/15/75/555701575.db2.gz VZSSAUGHMRRCDT-UHFFFAOYSA-N 0 0 441.578 4.627 50 0 IJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889602 555725815 /nfs/dbraw/zinc/72/58/15/555725815.db2.gz FHWMADWYYNDDPO-QGZVFWFLSA-N 0 0 443.956 4.657 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002050550 555728875 /nfs/dbraw/zinc/72/88/75/555728875.db2.gz BOACLTDBJCQNJQ-OAQYLSRUSA-N 0 0 432.398 4.797 50 0 IJAARN CCCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000002088404 555740512 /nfs/dbraw/zinc/74/05/12/555740512.db2.gz KMNZIUAQJGRPHZ-GJZGRUSLSA-N 0 0 445.283 4.836 50 0 IJAARN CCOc1ccc2nc(NC(=O)[C@@]3(C)CC3(Br)Br)sc2c1 ZINC000002103043 555742616 /nfs/dbraw/zinc/74/26/16/555742616.db2.gz CKRYBAOGUVGTQB-CYBMUJFWSA-N 0 0 434.153 4.530 50 0 IJAARN Nn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000002143711 555748826 /nfs/dbraw/zinc/74/88/26/555748826.db2.gz HESQLCIORTYLCJ-UHFFFAOYSA-N 0 0 448.036 4.898 50 0 IJAARN COc1ccccc1OCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC ZINC000002180102 555753094 /nfs/dbraw/zinc/75/30/94/555753094.db2.gz KJCNYLFJYKGQIQ-SILNSSARSA-N 0 0 445.471 4.506 50 0 IJAARN CCOC(=O)[C@@]1(C)C(Br)=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000002199192 555757220 /nfs/dbraw/zinc/75/72/20/555757220.db2.gz OPCGRJGNCWNSTG-HXUWFJFHSA-N 0 0 449.732 4.727 50 0 IJAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000002220050 555759285 /nfs/dbraw/zinc/75/92/85/555759285.db2.gz YSGBORYTTXOGID-UHFFFAOYSA-N 0 0 432.880 4.947 50 0 IJAARN COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 ZINC000002232488 555760566 /nfs/dbraw/zinc/76/05/66/555760566.db2.gz ZJXCBLSIWFNOHY-UHFFFAOYSA-N 0 0 445.548 4.686 50 0 IJAARN COC[C@H](C)OC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 ZINC000002284281 555765571 /nfs/dbraw/zinc/76/55/71/555765571.db2.gz XMVDBHBZYZHMFM-NSHDSACASA-N 0 0 445.306 4.654 50 0 IJAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000002327434 555768947 /nfs/dbraw/zinc/76/89/47/555768947.db2.gz QSXQMDGOGPUQAX-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002334048 555769521 /nfs/dbraw/zinc/76/95/21/555769521.db2.gz MCLAELGHWBQMLW-SFHVURJKSA-N 0 0 443.883 4.755 50 0 IJAARN O=C(Nc1nnc(-c2ccccc2I)s1)Nc1ccccc1F ZINC000002337682 555769936 /nfs/dbraw/zinc/76/99/36/555769936.db2.gz ITZAMTQYABGJPH-UHFFFAOYSA-N 0 0 440.241 4.593 50 0 IJAARN Cc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000002341976 555770182 /nfs/dbraw/zinc/77/01/82/555770182.db2.gz SFWQDBBQQZYFLD-UHFFFAOYSA-N 0 0 442.338 4.897 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccn2)cc1 ZINC000002348064 555770916 /nfs/dbraw/zinc/77/09/16/555770916.db2.gz YAUNYBADFKWPKB-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccn2)cc1 ZINC000002357793 555771587 /nfs/dbraw/zinc/77/15/87/555771587.db2.gz HQFOQJVLTZKVEJ-UHFFFAOYSA-N 0 0 429.549 4.985 50 0 IJAARN Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002397467 555775817 /nfs/dbraw/zinc/77/58/17/555775817.db2.gz CWPQETUYKLLSLY-UHFFFAOYSA-N 0 0 433.924 4.801 50 0 IJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(F)cccc3Cl)cc2oc1=O ZINC000002397490 555775955 /nfs/dbraw/zinc/77/59/55/555775955.db2.gz QQZPLIAZMMJAJN-UHFFFAOYSA-N 0 0 425.239 4.842 50 0 IJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002425043 555778043 /nfs/dbraw/zinc/77/80/43/555778043.db2.gz CVHRRADLZFJMNA-GOSISDBHSA-N 0 0 438.892 4.970 50 0 IJAARN COc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1 ZINC000002444739 555780046 /nfs/dbraw/zinc/78/00/46/555780046.db2.gz SIDIELIJZVUPAP-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccn1 ZINC000002445334 555780205 /nfs/dbraw/zinc/78/02/05/555780205.db2.gz LGSFINSFJXJBBR-UHFFFAOYSA-N 0 0 431.521 4.883 50 0 IJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 ZINC000002449551 555781128 /nfs/dbraw/zinc/78/11/28/555781128.db2.gz ZHQJZCCYAUORKH-UHFFFAOYSA-N 0 0 429.549 4.931 50 0 IJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000002450630 555781352 /nfs/dbraw/zinc/78/13/52/555781352.db2.gz DWDBGBNWQFMBLY-UHFFFAOYSA-N 0 0 446.532 4.682 50 0 IJAARN CCn1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000002665032 555796012 /nfs/dbraw/zinc/79/60/12/555796012.db2.gz LCEUFWRTNYUKIF-UHFFFAOYSA-N 0 0 425.532 4.677 50 0 IJAARN CCCC(=O)N[C@H](Nc1sc2c(c1C(=O)OCC)CCCC2)C(Cl)(Cl)Cl ZINC000002667027 555796808 /nfs/dbraw/zinc/79/68/08/555796808.db2.gz SWISHVFGUBNDLS-MRXNPFEDSA-N 0 0 441.808 4.828 50 0 IJAARN Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccc(C)c(C)c4)nnn3c3ccccc32)c1 ZINC000002693113 555799343 /nfs/dbraw/zinc/79/93/43/555799343.db2.gz FLNZVHVAQOJAQA-UHFFFAOYSA-N 0 0 443.532 4.779 50 0 IJAARN CCOc1cc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(Cl)c1O ZINC000002745950 555808841 /nfs/dbraw/zinc/80/88/41/555808841.db2.gz BKLQMZBFKJKPDD-SFHVURJKSA-N 0 0 430.917 4.911 50 0 IJAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1 ZINC000034679980 555812781 /nfs/dbraw/zinc/81/27/81/555812781.db2.gz VCRHLXSZPXFVCE-UHFFFAOYSA-N 0 0 430.523 4.970 50 0 IJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4O)c3n2)cc1 ZINC000002770487 555815655 /nfs/dbraw/zinc/81/56/55/555815655.db2.gz MUNDFRFRWLWHMW-UHFFFAOYSA-N 0 0 444.825 4.954 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1cccs1 ZINC000002775475 555817754 /nfs/dbraw/zinc/81/77/54/555817754.db2.gz OMFUGNGSNXNOKS-UHFFFAOYSA-N 0 0 432.498 4.938 50 0 IJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)c1ccccc1 ZINC000002776138 555818101 /nfs/dbraw/zinc/81/81/01/555818101.db2.gz UWEHDWLEJQJVMV-UHFFFAOYSA-N 0 0 426.469 4.877 50 0 IJAARN O=C(NC[C@H]1CCCO1)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714356 555821369 /nfs/dbraw/zinc/82/13/69/555821369.db2.gz XOXWDTMCOVDING-QGZVFWFLSA-N 0 0 430.476 4.576 50 0 IJAARN CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 ZINC000002796977 555822829 /nfs/dbraw/zinc/82/28/29/555822829.db2.gz KDYJIFCZGHDEFJ-UHFFFAOYSA-N 0 0 443.902 4.973 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)NCC(C)C ZINC000034708366 555823087 /nfs/dbraw/zinc/82/30/87/555823087.db2.gz NQQIOIXQYPKNFP-UIOOFZCWSA-N 0 0 448.607 4.809 50 0 IJAARN O=C(NCc1ccco1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000034710424 555824085 /nfs/dbraw/zinc/82/40/85/555824085.db2.gz LRJYBNNEYNVQAP-RTBURBONSA-N 0 0 437.927 4.887 50 0 IJAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000002810681 555827265 /nfs/dbraw/zinc/82/72/65/555827265.db2.gz FOPHVHOESONGOX-UHFFFAOYSA-N 0 0 439.021 4.670 50 0 IJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)cc1 ZINC000002813056 555827837 /nfs/dbraw/zinc/82/78/37/555827837.db2.gz HDHWCHAUEMJGCR-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN CCCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)OC3)cc1 ZINC000002817558 555829132 /nfs/dbraw/zinc/82/91/32/555829132.db2.gz MKRCNJPACMCRJI-UHFFFAOYSA-N 0 0 431.554 4.746 50 0 IJAARN COC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c(C)c1 ZINC000002829779 555831739 /nfs/dbraw/zinc/83/17/39/555831739.db2.gz MTVXMXBHBLXYBN-XDHOZWIPSA-N 0 0 436.851 4.792 50 0 IJAARN Cc1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002835309 555832608 /nfs/dbraw/zinc/83/26/08/555832608.db2.gz ROURIPDHLDQFRV-UHFFFAOYSA-N 0 0 442.968 4.786 50 0 IJAARN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000002836345 555832939 /nfs/dbraw/zinc/83/29/39/555832939.db2.gz OCDRRMBBANCPRO-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Br)cc1 ZINC000002836609 555833174 /nfs/dbraw/zinc/83/31/74/555833174.db2.gz NDYSKWQCNUYINQ-CQSZACIVSA-N 0 0 445.386 4.697 50 0 IJAARN COCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000002838104 555834106 /nfs/dbraw/zinc/83/41/06/555834106.db2.gz KHLLHPPFGVLMIU-UHFFFAOYSA-N 0 0 437.352 4.629 50 0 IJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1N ZINC000002842059 555836095 /nfs/dbraw/zinc/83/60/95/555836095.db2.gz XSVHRMOJXKMXOR-UHFFFAOYSA-N 0 0 436.368 4.567 50 0 IJAARN COc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1NC(=O)C(C)C ZINC000002841845 555836101 /nfs/dbraw/zinc/83/61/01/555836101.db2.gz DTIPCDPLAMEXSD-UHFFFAOYSA-N 0 0 425.710 4.958 50 0 IJAARN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000002851019 555839363 /nfs/dbraw/zinc/83/93/63/555839363.db2.gz GGBFQXYAFHRASY-UHFFFAOYSA-N 0 0 434.989 4.722 50 0 IJAARN CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000002853968 555840781 /nfs/dbraw/zinc/84/07/81/555840781.db2.gz FEHIKLABPBPUSR-QFIPXVFZSA-N 0 0 443.455 4.841 50 0 IJAARN COc1ccc(Cl)cc1NC(=S)Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1 ZINC000002858098 555842774 /nfs/dbraw/zinc/84/27/74/555842774.db2.gz LZPRGRZEGCXKGX-UHFFFAOYSA-N 0 0 441.866 4.816 50 0 IJAARN CC[C@@H](C)c1ccccc1NC(=S)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC ZINC000002859192 555843548 /nfs/dbraw/zinc/84/35/48/555843548.db2.gz JIYFLJVTXHZNHE-GFCCVEGCSA-N 0 0 433.599 4.867 50 0 IJAARN CN(C)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000002863966 555846430 /nfs/dbraw/zinc/84/64/30/555846430.db2.gz ACGNDHVTEKJWRS-UHFFFAOYSA-N 0 0 428.355 4.795 50 0 IJAARN CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc21 ZINC000002866239 555847395 /nfs/dbraw/zinc/84/73/95/555847395.db2.gz PKWBGMCLPVXLSO-UHFFFAOYSA-N 0 0 428.521 4.521 50 0 aggregator IJAARN CCOc1cc(C=O)cc(I)c1OCCCOc1ccc(C)cc1 ZINC000002866718 555847760 /nfs/dbraw/zinc/84/77/60/555847760.db2.gz RZZIMDZZBBHOPH-UHFFFAOYSA-N 0 0 440.277 4.659 50 0 IJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002877901 555853259 /nfs/dbraw/zinc/85/32/59/555853259.db2.gz MDZQHLXCUIAYCW-MRXNPFEDSA-N 0 0 428.941 4.800 50 0 IJAARN Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)c1 ZINC000002881682 555855666 /nfs/dbraw/zinc/85/56/66/555855666.db2.gz TXNYHSXBMRQSNV-UHFFFAOYSA-N 0 0 446.370 4.748 50 0 IJAARN COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000002881768 555855915 /nfs/dbraw/zinc/85/59/15/555855915.db2.gz FNJUXOKIZGGNPM-OAQYLSRUSA-N 0 0 433.485 4.690 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C ZINC000002886170 555858098 /nfs/dbraw/zinc/85/80/98/555858098.db2.gz BLZYLAPXGBJBIF-UHFFFAOYSA-N 0 0 437.352 4.740 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(Cl)c1 ZINC000002887170 555858397 /nfs/dbraw/zinc/85/83/97/555858397.db2.gz XBWAQQXNCKXREM-UHFFFAOYSA-N 0 0 439.903 4.648 50 0 IJAARN COc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1OC ZINC000002889129 555859314 /nfs/dbraw/zinc/85/93/14/555859314.db2.gz IJQYTHXOUDTZSP-UHFFFAOYSA-N 0 0 431.941 4.545 50 0 IJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000002915239 555862267 /nfs/dbraw/zinc/86/22/67/555862267.db2.gz OGIYHRCVPCNDAL-DNQXCXABSA-N 0 0 426.451 4.639 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2cccc(F)c2)C[C@H](c2ccc(F)c(C)c2)C1 ZINC000034715921 555865126 /nfs/dbraw/zinc/86/51/26/555865126.db2.gz ODNFRAOICNZIGL-LEWJYISDSA-N 0 0 443.538 4.505 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2F)CC[C@H]1c1ccc(F)c(C)c1 ZINC000034716110 555865393 /nfs/dbraw/zinc/86/53/93/555865393.db2.gz HWVNSTLELVTWKY-REWPJTCUSA-N 0 0 443.538 4.852 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2F)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716106 555865438 /nfs/dbraw/zinc/86/54/38/555865438.db2.gz HWVNSTLELVTWKY-NZQKXSOJSA-N 0 0 443.538 4.852 50 0 IJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2)CC[C@@H]1c1ccc(F)c(C)c1 ZINC000034716529 555865790 /nfs/dbraw/zinc/86/57/90/555865790.db2.gz BJGIRDOYKDYFEI-JTHBVZDNSA-N 0 0 425.548 4.713 50 0 IJAARN Cc1cc(Cl)ccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002958816 555867329 /nfs/dbraw/zinc/86/73/29/555867329.db2.gz HUPCJZLZRAAPKV-SFHVURJKSA-N 0 0 442.968 4.721 50 0 IJAARN COc1ccccc1CCNC(=O)c1csc(-c2ccc(OCC(C)C)c(OC)c2)n1 ZINC000034717358 555867719 /nfs/dbraw/zinc/86/77/19/555867719.db2.gz UQCMXWTUJODDQL-UHFFFAOYSA-N 0 0 440.565 4.835 50 0 IJAARN O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1cccs1 ZINC000002971510 555869337 /nfs/dbraw/zinc/86/93/37/555869337.db2.gz RCXMAVLDVVNTOP-UHFFFAOYSA-N 0 0 429.530 4.762 50 0 IJAARN Cc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000002979557 555871563 /nfs/dbraw/zinc/87/15/63/555871563.db2.gz ALTFVNPVUHPMMT-UHFFFAOYSA-N 0 0 432.904 4.622 50 0 IJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 ZINC000002979896 555871852 /nfs/dbraw/zinc/87/18/52/555871852.db2.gz MKGBPFREXSLIQU-UHFFFAOYSA-N 0 0 435.940 4.818 50 0 IJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000002993124 555875533 /nfs/dbraw/zinc/87/55/33/555875533.db2.gz RIUCROVSWOPYTB-UHFFFAOYSA-N 0 0 440.883 4.627 50 0 IJAARN Cc1ccc(C(=O)NCc2ccccc2F)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000034724563 555881482 /nfs/dbraw/zinc/88/14/82/555881482.db2.gz CYFLIUHDXUKKOP-UHFFFAOYSA-N 0 0 437.540 4.540 50 0 IJAARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000003103332 555887013 /nfs/dbraw/zinc/88/70/13/555887013.db2.gz OJNAVZCWIDOPQT-KRWDZBQOSA-N 0 0 436.213 4.559 50 0 IJAARN CCc1ccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)c3ccoc3)C2)cc1 ZINC000034738473 555888761 /nfs/dbraw/zinc/88/87/61/555888761.db2.gz ZDELSINMUSOPBW-QTLGCAHFSA-N 0 0 430.548 4.965 50 0 IJAARN O=C(N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003129826 555889908 /nfs/dbraw/zinc/88/99/08/555889908.db2.gz GAZDTGKGMIXORS-AWEZNQCLSA-N 0 0 437.179 4.753 50 0 IJAARN CN(C)c1cc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)oc(=O)c1Cl ZINC000003171177 555893932 /nfs/dbraw/zinc/89/39/32/555893932.db2.gz MUBBMIAUOFQALI-UHFFFAOYSA-N 0 0 445.743 4.908 50 0 IJAARN Cc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000034757904 555902591 /nfs/dbraw/zinc/90/25/91/555902591.db2.gz LRJDZNADXZROIF-UHFFFAOYSA-N 0 0 442.563 4.695 50 0 IJAARN Cc1cc(Oc2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccccc2)CC3)ccc1F ZINC000034758523 555903270 /nfs/dbraw/zinc/90/32/70/555903270.db2.gz OHVFPUJSYXWLCJ-UHFFFAOYSA-N 0 0 446.526 4.905 50 0 IJAARN C[C@@H]1CN(C2=Nc3ccc(C(F)(F)F)cc3Oc3ccccc32)CCN1C(=O)C1CC1 ZINC000034812844 555909723 /nfs/dbraw/zinc/90/97/23/555909723.db2.gz QPYGDXJJQYKMIX-CQSZACIVSA-N 0 0 429.442 4.832 50 0 IJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)c3cccnc3Cl)CC1)=Nc1ccccc1O2 ZINC000034813607 555910371 /nfs/dbraw/zinc/91/03/71/555910371.db2.gz RPLIGXBKKIKCGN-UHFFFAOYSA-N 0 0 432.911 4.685 50 0 IJAARN O=C(NCc1ccc2c(c1)OCO2)c1cn2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000034831025 555912006 /nfs/dbraw/zinc/91/20/06/555912006.db2.gz IZRBXRSVNZGOAK-UHFFFAOYSA-N 0 0 439.393 4.679 50 0 IJAARN CCCn1c2ccccc2nc1N1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000034907117 555920739 /nfs/dbraw/zinc/92/07/39/555920739.db2.gz FJZOIZVWXNLEBO-UHFFFAOYSA-N 0 0 430.474 4.864 50 0 IJAARN CCn1nc(-c2cccc(C(F)(F)F)c2)cc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000034903266 555929550 /nfs/dbraw/zinc/92/95/50/555929550.db2.gz RRBFGYWNKZNKMX-UHFFFAOYSA-N 0 0 447.457 4.579 50 0 IJAARN CCOc1ccc(N2C[C@@H](C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000034916873 555930567 /nfs/dbraw/zinc/93/05/67/555930567.db2.gz FCKLCBSSJUBGKG-DEOSSOPVSA-N 0 0 442.559 4.710 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nc2nc(C)c(Cc3cccc(C)c3)c(C)n2n1 ZINC000003631737 555942092 /nfs/dbraw/zinc/94/20/92/555942092.db2.gz GBIVEWXIDOLTRG-UHFFFAOYSA-N 0 0 445.592 4.934 50 0 IJAARN Cc1nc2nc(SCC(=O)NC3CCCCC3)nn2c(C)c1Cc1ccccc1Cl ZINC000003638243 555942797 /nfs/dbraw/zinc/94/27/97/555942797.db2.gz DBZDEFZXGNGEJP-UHFFFAOYSA-N 0 0 444.004 4.526 50 0 aggregator IJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000003656125 555944302 /nfs/dbraw/zinc/94/43/02/555944302.db2.gz WSFOJMAAWFTTMH-QFIPXVFZSA-N 0 0 447.393 4.545 50 0 IJAARN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N[C@H]2CCCc3ccccc32)cc1C ZINC000003670154 555945446 /nfs/dbraw/zinc/94/54/46/555945446.db2.gz YSOABHXUTDAWQE-WNCULLNHSA-N 0 0 441.531 4.694 50 0 IJAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1)C(F)(F)F ZINC000004208065 555976455 /nfs/dbraw/zinc/97/64/55/555976455.db2.gz JSAUVDMPCCUOHO-GOSISDBHSA-N 0 0 430.810 4.605 50 0 IJAARN CC(=O)N1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000004821478 556013455 /nfs/dbraw/zinc/01/34/55/556013455.db2.gz IKXKUNJFSSMXTD-UHFFFAOYSA-N 0 0 429.992 4.554 50 0 IJAARN O=S(=O)(Nc1ccccc1Cl)c1cccc(C2N=NC(=S)N2c2ccccc2)c1 ZINC000006190519 556080053 /nfs/dbraw/zinc/08/00/53/556080053.db2.gz ZTBKVJKTNYEBCF-UHFFFAOYSA-N 0 0 442.953 4.677 50 0 IJAARN O=c1/c(=C/c2cccc(OCc3c(F)cccc3Cl)c2)sc2nc3ccccc3n12 ZINC000006460723 556090111 /nfs/dbraw/zinc/09/01/11/556090111.db2.gz SKVKLIFEAGGTMZ-MTJSOVHGSA-N 0 0 436.895 4.828 50 0 IJAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000006491941 556091484 /nfs/dbraw/zinc/09/14/84/556091484.db2.gz HAFWDYLAEUBVDM-OVCLIPMQSA-N 0 0 426.277 4.853 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Br)ccc3n2)o1 ZINC000006862418 556107169 /nfs/dbraw/zinc/10/71/69/556107169.db2.gz RMTHAUAHUUYLDI-UHFFFAOYSA-N 0 0 439.313 4.582 50 0 aggregator IJAARN CCOc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000010584472 556115135 /nfs/dbraw/zinc/11/51/35/556115135.db2.gz PQEBBXCMZZKYLN-HSZRJFAPSA-N 0 0 443.547 4.603 50 0 IJAARN CCOCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc2c1=O ZINC000002635432 556115358 /nfs/dbraw/zinc/11/53/58/556115358.db2.gz ZUUWVUWWMSOTLA-UHFFFAOYSA-N 0 0 439.581 4.677 50 0 IJAARN Cc1c2nc(N(CCCn3ccnc3)C(=O)COc3ccccc3)sc2ccc1Cl ZINC000010586057 556115443 /nfs/dbraw/zinc/11/54/43/556115443.db2.gz VFHGYKZDGLJOSH-UHFFFAOYSA-N 0 0 440.956 4.957 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2ccccc2F)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002692043 556120240 /nfs/dbraw/zinc/12/02/40/556120240.db2.gz HYDQXPLQCQYQMZ-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN O=c1c2cc(F)ccc2n(Cc2cccc(F)c2)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002692052 556120297 /nfs/dbraw/zinc/12/02/97/556120297.db2.gz FJHZBKPIHVUJFP-UHFFFAOYSA-N 0 0 445.874 4.814 50 0 IJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1ccc(Cl)cc1Cl ZINC000002711856 556125428 /nfs/dbraw/zinc/12/54/28/556125428.db2.gz GZANHNCCPFLNFT-UHFFFAOYSA-N 0 0 435.785 4.941 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002720658 556127059 /nfs/dbraw/zinc/12/70/59/556127059.db2.gz VBDMCISLIBLARZ-UHFFFAOYSA-N 0 0 446.576 4.526 50 0 IJAARN Cc1ccc(CN2CCc3c(OCC(=O)Nc4ccc(C)cc4C)cccc3C2=O)cc1 ZINC000002716423 556130739 /nfs/dbraw/zinc/13/07/39/556130739.db2.gz UVTVNDSZRUHQNF-UHFFFAOYSA-N 0 0 428.532 4.828 50 0 IJAARN O=C(Nc1ccc2c(c1)OCO2)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725450 556133594 /nfs/dbraw/zinc/13/35/94/556133594.db2.gz NSVSJJIXVVHOLL-UHFFFAOYSA-N 0 0 437.157 4.531 50 0 IJAARN Cc1c(C(N)=O)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)OC(C)C ZINC000002763859 556136018 /nfs/dbraw/zinc/13/60/18/556136018.db2.gz NCYBRBWURMZHFJ-UHFFFAOYSA-N 0 0 436.942 4.841 50 0 IJAARN CCn1ncc(S(=O)(=O)n2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)c1C ZINC000002745809 556136360 /nfs/dbraw/zinc/13/63/60/556136360.db2.gz GATSQRLDJIXDCL-UHFFFAOYSA-N 0 0 434.565 4.904 50 0 IJAARN O=C(Nc1ncccn1)c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F ZINC000002781791 556138141 /nfs/dbraw/zinc/13/81/41/556138141.db2.gz CYDMHZYSUTYPMZ-UHFFFAOYSA-N 0 0 434.381 4.611 50 0 IJAARN Cn1nc(C(F)(F)F)cc1-c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002787421 556138868 /nfs/dbraw/zinc/13/88/68/556138868.db2.gz OPAFRBBHCUEQMZ-SNVBAGLBSA-N 0 0 434.491 4.909 50 0 IJAARN CCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)cc1 ZINC000002767142 556139692 /nfs/dbraw/zinc/13/96/92/556139692.db2.gz SSVKENMYTQNMRA-UHFFFAOYSA-N 0 0 425.326 4.699 50 0 IJAARN Cc1ccn(Cc2nnc(SCc3c(Cl)cccc3Cl)n2C[C@H]2CCCO2)n1 ZINC000002780306 556141616 /nfs/dbraw/zinc/14/16/16/556141616.db2.gz LOUZGGNDFLIBSK-CQSZACIVSA-N 0 0 438.384 4.609 50 0 IJAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000002848030 556147864 /nfs/dbraw/zinc/14/78/64/556147864.db2.gz OWAVMEMOFUSYAK-UHFFFAOYSA-N 0 0 436.533 4.932 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000002973438 556152533 /nfs/dbraw/zinc/15/25/33/556152533.db2.gz UNOKUGIFANVAAJ-UHFFFAOYSA-N 0 0 445.972 4.516 50 0 IJAARN CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCCc3ccccc3)c2)cc1 ZINC000003022652 556157302 /nfs/dbraw/zinc/15/73/02/556157302.db2.gz FKPBFUZGFOSCHL-UHFFFAOYSA-N 0 0 440.540 4.722 50 0 IJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)cc2)c1 ZINC000003031394 556157966 /nfs/dbraw/zinc/15/79/66/556157966.db2.gz QZUXRDZMHCBQHS-UHFFFAOYSA-N 0 0 426.513 4.597 50 0 IJAARN COc1cc(OC)c(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)OCc2ccccc2)c(OC)c1 ZINC000008387100 556162520 /nfs/dbraw/zinc/16/25/20/556162520.db2.gz QKYWWPZJJJPBQM-NOZRDPDXSA-N 0 0 447.487 4.548 50 0 IJAARN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3n2)c1 ZINC000008400458 556165880 /nfs/dbraw/zinc/16/58/80/556165880.db2.gz LMZDWUSQIGTRRJ-AWEZNQCLSA-N 0 0 440.425 4.915 50 0 IJAARN Cc1cccc(OCCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 ZINC000008426257 556168860 /nfs/dbraw/zinc/16/88/60/556168860.db2.gz CWXRFAWHSAITMQ-ULJHMMPZSA-N 0 0 442.540 4.613 50 0 IJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccc(C(C)C)cc1 ZINC000008437218 556173589 /nfs/dbraw/zinc/17/35/89/556173589.db2.gz OYJJOAYMAOURSO-DEOSSOPVSA-N 0 0 445.567 4.562 50 0 IJAARN COc1ccc(Cl)cc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000008594936 556189891 /nfs/dbraw/zinc/18/98/91/556189891.db2.gz NDWUBUONPMPHPE-UHFFFAOYSA-N 0 0 429.867 4.914 50 0 IJAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c1 ZINC000008604608 556191294 /nfs/dbraw/zinc/19/12/94/556191294.db2.gz RVEKRFXLCOMSIU-NRFANRHFSA-N 0 0 438.505 4.506 50 0 IJAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)COCC4)cc1 ZINC000008706670 556201403 /nfs/dbraw/zinc/20/14/03/556201403.db2.gz OLRRIIGIFYVQTC-UHFFFAOYSA-N 0 0 431.517 4.879 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008745155 556208729 /nfs/dbraw/zinc/20/87/29/556208729.db2.gz PHAJIDGRESEKKO-MRXNPFEDSA-N 0 0 432.505 4.830 50 0 IJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@H]1c1ccccc1C(F)(F)F ZINC000008748644 556210321 /nfs/dbraw/zinc/21/03/21/556210321.db2.gz FOIUKCZAVWELJE-OAHLLOKOSA-N 0 0 447.434 4.538 50 0 IJAARN Cc1nc(Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)nc2ccccc12 ZINC000008837384 556226110 /nfs/dbraw/zinc/22/61/10/556226110.db2.gz BNZJPHJRYRCPBI-UHFFFAOYSA-N 0 0 432.534 4.667 50 0 IJAARN CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000008990181 556238716 /nfs/dbraw/zinc/23/87/16/556238716.db2.gz DBKILLZRFYRLFR-UHFFFAOYSA-N 0 0 447.564 4.773 50 0 IJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)cc1 ZINC000009059175 556243539 /nfs/dbraw/zinc/24/35/39/556243539.db2.gz FCCAQBKRBRBOQV-UHFFFAOYSA-N 0 0 437.297 4.752 50 0 IJAARN CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000009094729 556246123 /nfs/dbraw/zinc/24/61/23/556246123.db2.gz VPYXKHRJTRNIER-UHFFFAOYSA-N 0 0 434.275 4.566 50 0 IJAARN O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000009095726 556247045 /nfs/dbraw/zinc/24/70/45/556247045.db2.gz OYRPGOVFFRLGJX-UHFFFAOYSA-N 0 0 436.537 4.592 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)c1 ZINC000009158396 556249769 /nfs/dbraw/zinc/24/97/69/556249769.db2.gz KMFAGNOWFVYLPV-GOSISDBHSA-N 0 0 445.519 4.782 50 0 IJAARN Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1C ZINC000009189592 556252274 /nfs/dbraw/zinc/25/22/74/556252274.db2.gz METQLNGQBRUKDG-FQEVSTJZSA-N 0 0 433.581 4.921 50 0 biogenic IJAARN Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n(C)c(=O)c2c1C ZINC000009190417 556252923 /nfs/dbraw/zinc/25/29/23/556252923.db2.gz YIBXHLXXORUJQW-UHFFFAOYSA-N 0 0 428.366 4.649 50 0 IJAARN CCc1nnc2n1N[C@@H](c1ccc(CC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1C)S2 ZINC000009197098 556255188 /nfs/dbraw/zinc/25/51/88/556255188.db2.gz PNTXWNUXXXUDNC-VQTJNVASSA-N 0 0 441.988 4.763 50 0 IJAARN CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000009197963 556256211 /nfs/dbraw/zinc/25/62/11/556256211.db2.gz VDZSVGNDWJADFI-RTBURBONSA-N 0 0 427.961 4.509 50 0 IJAARN CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 ZINC000009199463 556256992 /nfs/dbraw/zinc/25/69/92/556256992.db2.gz UPIDOULVCAUJMO-OAHLLOKOSA-N 0 0 426.929 4.527 50 0 IJAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)CC2=O)cc1 ZINC000009226947 556260656 /nfs/dbraw/zinc/26/06/56/556260656.db2.gz WAAHWBBIEMTZNK-HNNXBMFYSA-N 0 0 441.940 4.772 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)S2 ZINC000009239576 556266032 /nfs/dbraw/zinc/26/60/32/556266032.db2.gz DANFXJWKBGTTAZ-RTBURBONSA-N 0 0 427.961 4.590 50 0 IJAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000009289569 556273776 /nfs/dbraw/zinc/27/37/76/556273776.db2.gz SASKSPJNJHXPKR-HSZRJFAPSA-N 0 0 426.476 4.678 50 0 IJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 ZINC000009294990 556274556 /nfs/dbraw/zinc/27/45/56/556274556.db2.gz WNVKRQDMYHCVTB-MOPGFXCFSA-N 0 0 427.961 4.590 50 0 IJAARN COc1cc2oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1Cl ZINC000009302672 556275921 /nfs/dbraw/zinc/27/59/21/556275921.db2.gz ZGJVEJCVFKRMOU-CYBMUJFWSA-N 0 0 438.911 4.535 50 0 IJAARN COCCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc3c2C1 ZINC000013687824 556277760 /nfs/dbraw/zinc/27/77/60/556277760.db2.gz RUJPLJOCMDSLQO-UHFFFAOYSA-N 0 0 449.425 4.676 50 0 biogenic IJAARN CCOC(=O)Cc1csc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)n1 ZINC000009329968 556282672 /nfs/dbraw/zinc/28/26/72/556282672.db2.gz ASBUQGOTQUYTDQ-UHFFFAOYSA-N 0 0 440.308 4.771 50 0 IJAARN Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000009340284 556283404 /nfs/dbraw/zinc/28/34/04/556283404.db2.gz YPYLSILEWOLABG-UHFFFAOYSA-N 0 0 429.377 4.705 50 0 IJAARN COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 ZINC000009435660 556291523 /nfs/dbraw/zinc/29/15/23/556291523.db2.gz WCPXDXZNZDZBFN-IEBWSBKVSA-N 0 0 448.420 4.621 50 0 IJAARN Cc1cc(NC(=O)COCc2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1 ZINC000009436416 556291803 /nfs/dbraw/zinc/29/18/03/556291803.db2.gz DRIUWLXXQFSDFS-UHFFFAOYSA-N 0 0 442.928 4.765 50 0 IJAARN CCOc1ccccc1-c1cc(NC(=O)COCc2cc(-c3cccs3)on2)on1 ZINC000009436437 556291839 /nfs/dbraw/zinc/29/18/39/556291839.db2.gz WQZBNBYEWQWAIE-UHFFFAOYSA-N 0 0 425.466 4.612 50 0 IJAARN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(nnn(CCc4ccccc4)c3=O)c21 ZINC000013734776 556297478 /nfs/dbraw/zinc/29/74/78/556297478.db2.gz LHPKLDQXZBNIFD-UHFFFAOYSA-N 0 0 433.924 4.668 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)OCc4ccccc4)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559831 556298295 /nfs/dbraw/zinc/29/82/95/556298295.db2.gz BHXWZYRMBFHWMU-KRWDZBQOSA-N 0 0 449.503 4.619 50 0 IJAARN COc1cc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c(C)c3C(=O)C2)cc(OC)c1OC ZINC000009559810 556298321 /nfs/dbraw/zinc/29/83/21/556298321.db2.gz GYNIGXQVEMIMCO-RFUYNDQBSA-N 0 0 441.524 4.607 50 0 IJAARN CCOC(=O)c1[nH]c2c(c1CCc1cccc(OC)c1)C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000009559844 556298613 /nfs/dbraw/zinc/29/86/13/556298613.db2.gz XOWRRWYOAQTWME-LJQANCHMSA-N 0 0 447.531 4.907 50 0 IJAARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 ZINC000009569600 556299812 /nfs/dbraw/zinc/29/98/12/556299812.db2.gz DTEWWOHODGGSKI-SFHVURJKSA-N 0 0 427.570 4.790 50 0 IJAARN Cc1ccc(SCCNC(=O)CSc2nnc(C[C@H](C)c3ccccc3)o2)cc1 ZINC000032739559 556300093 /nfs/dbraw/zinc/30/00/93/556300093.db2.gz AQRMOVDUXNPMHV-KRWDZBQOSA-N 0 0 427.595 4.725 50 0 IJAARN COc1ccc(CC(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2OC)cc1 ZINC000013758612 556301202 /nfs/dbraw/zinc/30/12/02/556301202.db2.gz WWOVVLFJUXKIQB-UHFFFAOYSA-N 0 0 442.515 4.630 50 0 IJAARN Cc1sc2nc(SCC(=O)Nc3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C ZINC000009597089 556301738 /nfs/dbraw/zinc/30/17/38/556301738.db2.gz CPXGEQRNWSDPGQ-UHFFFAOYSA-N 0 0 439.537 4.934 50 0 IJAARN CCc1ccc(OCCNS(=O)(=O)c2ccc(Br)c3ccccc32)cc1 ZINC000009614381 556303943 /nfs/dbraw/zinc/30/39/43/556303943.db2.gz PUMUUSOXPQLNJF-UHFFFAOYSA-N 0 0 434.355 4.522 50 0 IJAARN C[C@@H](Oc1ccccc1)c1nc2c(Br)cc(Br)cc2c(=O)o1 ZINC000009720846 556307613 /nfs/dbraw/zinc/30/76/13/556307613.db2.gz OJNYYJYXVSXRRW-SECBINFHSA-N 0 0 425.076 4.853 50 0 IJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000013811564 556312623 /nfs/dbraw/zinc/31/26/23/556312623.db2.gz JSWPRIAHPPABAV-NOZRDPDXSA-N 0 0 438.487 4.508 50 0 IJAARN COc1ccc(CNc2nc3cc(OC)c(OC)cc3c3nc(-c4ccccc4)nn32)cc1 ZINC000009831136 556312705 /nfs/dbraw/zinc/31/27/05/556312705.db2.gz OJTMUDQOBLQBJU-UHFFFAOYSA-N 0 0 441.491 4.582 50 0 IJAARN O=C(Cn1ccc(C(F)(F)F)n1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000032750594 556313076 /nfs/dbraw/zinc/31/30/76/556313076.db2.gz HTHSLWFIAZMSSR-INIZCTEOSA-N 0 0 446.860 4.985 50 0 IJAARN COc1cc(OC)cc(-c2nnc(SCCCc3nc(-c4cccs4)no3)o2)c1 ZINC000032745360 556315127 /nfs/dbraw/zinc/31/51/27/556315127.db2.gz YVAIIKFBLNUODX-UHFFFAOYSA-N 0 0 430.511 4.590 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1Cc1ccco1)c1ccco1 ZINC000032745420 556315401 /nfs/dbraw/zinc/31/54/01/556315401.db2.gz ZPQLFNKZVORDHV-OAHLLOKOSA-N 0 0 447.520 4.630 50 0 IJAARN C[C@](Cc1nc2ccccc2s1)(C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000032747505 556316062 /nfs/dbraw/zinc/31/60/62/556316062.db2.gz DBRSJJSREHPCJF-NIYFSFCBSA-N 0 0 444.556 4.753 50 0 IJAARN COc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000009907574 556316322 /nfs/dbraw/zinc/31/63/22/556316322.db2.gz ACXRKRDSKSFTJC-UHFFFAOYSA-N 0 0 438.549 4.653 50 0 IJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000009972724 556319714 /nfs/dbraw/zinc/31/97/14/556319714.db2.gz CHBSFJVFMYDDOV-ISKFKSNPSA-N 0 0 445.588 4.952 50 0 IJAARN CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)nc21 ZINC000010035032 556322720 /nfs/dbraw/zinc/32/27/20/556322720.db2.gz YPXAVVYWVAJVLT-OAHLLOKOSA-N 0 0 433.537 4.711 50 0 IJAARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000010058809 556323686 /nfs/dbraw/zinc/32/36/86/556323686.db2.gz GHXMODYLDSCOFK-JOCHJYFZSA-N 0 0 430.342 4.592 50 0 IJAARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000010060191 556324467 /nfs/dbraw/zinc/32/44/67/556324467.db2.gz POFCSBHRNWZWKT-DEOSSOPVSA-N 0 0 440.503 4.981 50 0 IJAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000010120173 556326486 /nfs/dbraw/zinc/32/64/86/556326486.db2.gz QNLJDQJAQMSQHJ-UHFFFAOYSA-N 0 0 434.448 4.782 50 0 IJAARN COc1cc(CN(C(=O)c2ccc(-n3nccc3C)cc2)C2CC2)ccc1OC(F)F ZINC000032772487 556335300 /nfs/dbraw/zinc/33/53/00/556335300.db2.gz KDNXJOQDGUKMOJ-UHFFFAOYSA-N 0 0 427.451 4.596 50 0 IJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1=O ZINC000010461921 556335543 /nfs/dbraw/zinc/33/55/43/556335543.db2.gz DGFDOBSHGIKQDF-OAHLLOKOSA-N 0 0 448.350 4.833 50 0 IJAARN COc1ccc(NC(=O)CNC(=O)c2sc3c(ccc(OC)c3Cl)c2Cl)cc1 ZINC000013941796 556338810 /nfs/dbraw/zinc/33/88/10/556338810.db2.gz KVUYUJPWZXIBIY-UHFFFAOYSA-N 0 0 439.320 4.594 50 0 IJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000064452350 556341393 /nfs/dbraw/zinc/34/13/93/556341393.db2.gz XPJWYWCUPSGPRZ-QFIPXVFZSA-N 0 0 430.552 4.543 50 0 IJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000032781523 556349544 /nfs/dbraw/zinc/34/95/44/556349544.db2.gz BNHJBXYULKQEAQ-FQEVSTJZSA-N 0 0 442.631 4.898 50 0 IJAARN O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000032789121 556350722 /nfs/dbraw/zinc/35/07/22/556350722.db2.gz NJYXUFVPQBWWHL-CQSZACIVSA-N 0 0 434.487 4.708 50 0 IJAARN CCCn1c2ccccc2c2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)nc21 ZINC000032778396 556351451 /nfs/dbraw/zinc/35/14/51/556351451.db2.gz ZMIXDXLZDLWMJU-KRWDZBQOSA-N 0 0 437.594 4.907 50 0 IJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCOc2ccccc2F)cc1 ZINC000014014270 556355205 /nfs/dbraw/zinc/35/52/05/556355205.db2.gz WMEYAPCFNYNPNE-UHFFFAOYSA-N 0 0 445.494 4.555 50 0 IJAARN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011821787 556362742 /nfs/dbraw/zinc/36/27/42/556362742.db2.gz ZRKINYXQNPQHBK-QGZVFWFLSA-N 0 0 431.380 4.514 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014083509 556363252 /nfs/dbraw/zinc/36/32/52/556363252.db2.gz HBAYWMHBWYSLEQ-QHCPKHFHSA-N 0 0 431.536 4.557 50 0 IJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000014083792 556363474 /nfs/dbraw/zinc/36/34/74/556363474.db2.gz RMSQSFPZKQSRGU-HXUWFJFHSA-N 0 0 437.586 4.809 50 0 IJAARN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000011840807 556364821 /nfs/dbraw/zinc/36/48/21/556364821.db2.gz ACFNMKYIKZEGPX-VQPAQMSKSA-N 0 0 448.632 4.882 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000014115174 556370557 /nfs/dbraw/zinc/37/05/57/556370557.db2.gz IAAWDBISKNXRRS-XMMPIXPASA-N 0 0 432.564 4.589 50 0 IJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000014128619 556373868 /nfs/dbraw/zinc/37/38/68/556373868.db2.gz HLGIIEAINXJJPY-UHFFFAOYSA-N 0 0 433.489 4.820 50 0 IJAARN CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000014129096 556374121 /nfs/dbraw/zinc/37/41/21/556374121.db2.gz TXMYIFHTPZBAMR-UHFFFAOYSA-N 0 0 433.990 4.531 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc2cc(C)c3cccc(C)c3n21 ZINC000011907888 556374328 /nfs/dbraw/zinc/37/43/28/556374328.db2.gz UCQFQZZOWFDMDL-UHFFFAOYSA-N 0 0 426.929 4.892 50 0 IJAARN Cc1ccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011914963 556376097 /nfs/dbraw/zinc/37/60/97/556376097.db2.gz BYIKGMQFCGOVGO-FQEVSTJZSA-N 0 0 443.952 4.738 50 0 IJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915935 556376108 /nfs/dbraw/zinc/37/61/08/556376108.db2.gz BFBGOLXNUPNHSM-UHFFFAOYSA-N 0 0 432.885 4.997 50 0 IJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)CCC(=O)N5)o3)cc2C1 ZINC000014141893 556376862 /nfs/dbraw/zinc/37/68/62/556376862.db2.gz UOTMTNMRWSIPBH-GFCCVEGCSA-N 0 0 439.562 4.783 50 0 IJAARN COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000014180989 556382529 /nfs/dbraw/zinc/38/25/29/556382529.db2.gz LCNORDLRRZWPNQ-UHFFFAOYSA-N 0 0 447.457 4.531 50 0 IJAARN COc1cc(C[C@]2(CCC(=O)N[C@H](C)c3cccc4ccccc43)CCC(=O)N2)ccc1F ZINC000011974282 556382933 /nfs/dbraw/zinc/38/29/33/556382933.db2.gz FRCWBTBVCXOJNK-CLYVBNDRSA-N 0 0 448.538 4.836 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(Cc4cccs4)CC3)c2oc1-c1ccccc1 ZINC000014185851 556385443 /nfs/dbraw/zinc/38/54/43/556385443.db2.gz KTDJUFBGYHMYIQ-UHFFFAOYSA-N 0 0 444.556 4.788 50 0 IJAARN CCn1c(=S)n(CN2CCC[C@@H]2c2ccc(OC)cc2OC)nc1-c1cccs1 ZINC000014185899 556385485 /nfs/dbraw/zinc/38/54/85/556385485.db2.gz WEALUBHYMAPBQJ-QGZVFWFLSA-N 0 0 430.599 4.974 50 0 IJAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000014188645 556387018 /nfs/dbraw/zinc/38/70/18/556387018.db2.gz HDAFHPOFKSVWPJ-UHFFFAOYSA-N 0 0 426.325 4.643 50 0 IJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nnc(SCc2ccccc2C)n1C ZINC000012035679 556389822 /nfs/dbraw/zinc/38/98/22/556389822.db2.gz IHEWZQOLRFEZSK-MRXNPFEDSA-N 0 0 447.564 4.870 50 0 IJAARN Cc1nc(CSc2ccc(C(=O)OCC(=O)N3CCc4sccc4C3)cc2)cs1 ZINC000014199409 556390334 /nfs/dbraw/zinc/39/03/34/556390334.db2.gz IPMPDRLEPBNJNZ-UHFFFAOYSA-N 0 0 444.603 4.547 50 0 IJAARN C[C@H](NC(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1)c1nccs1 ZINC000012042912 556391435 /nfs/dbraw/zinc/39/14/35/556391435.db2.gz VVDBKMTYEQXVEN-BVZFJXPGSA-N 0 0 433.577 4.659 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012057082 556394466 /nfs/dbraw/zinc/39/44/66/556394466.db2.gz MATCGOGMBILLKH-UHFFFAOYSA-N 0 0 448.567 4.565 50 0 IJAARN O=C(CN1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1)Nc1ccccc1 ZINC000014226338 556394773 /nfs/dbraw/zinc/39/47/73/556394773.db2.gz YNPSDFSHWFNSAT-UHFFFAOYSA-N 0 0 443.576 4.873 50 0 IJAARN CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000014228115 556395777 /nfs/dbraw/zinc/39/57/77/556395777.db2.gz SJMMUPRATAJGKP-UHFFFAOYSA-N 0 0 427.298 4.940 50 0 IJAARN COc1ccc(-c2cc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 ZINC000014228867 556396110 /nfs/dbraw/zinc/39/61/10/556396110.db2.gz KCWWNDHEKDNSEB-UHFFFAOYSA-N 0 0 438.911 4.783 50 0 IJAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)cc2NC1=O ZINC000032810814 556397515 /nfs/dbraw/zinc/39/75/15/556397515.db2.gz GRPFRZBBFVRHER-NSHDSACASA-N 0 0 447.347 4.923 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CSc2ccc(Br)cc2)c(C)c1 ZINC000014242516 556403194 /nfs/dbraw/zinc/40/31/94/556403194.db2.gz ARAHUBMQWZCLOG-UHFFFAOYSA-N 0 0 435.387 4.564 50 0 IJAARN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000014245489 556405165 /nfs/dbraw/zinc/40/51/65/556405165.db2.gz HRAJHXXOJNMRKJ-AWEZNQCLSA-N 0 0 429.542 4.572 50 0 IJAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c(OC)c1 ZINC000032578625 556405267 /nfs/dbraw/zinc/40/52/67/556405267.db2.gz WLNBGGVOXJXTIV-UHFFFAOYSA-N 0 0 445.475 4.747 50 0 IJAARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)s2)ns1 ZINC000032593507 556406990 /nfs/dbraw/zinc/40/69/90/556406990.db2.gz KGZFXXXJCNBTJV-UHFFFAOYSA-N 0 0 430.736 4.700 50 0 IJAARN CCOc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C)c(C)c2)CC3)cc1 ZINC000064660235 556408293 /nfs/dbraw/zinc/40/82/93/556408293.db2.gz GZTDBKBKCSHQSH-UHFFFAOYSA-N 0 0 428.579 4.573 50 0 IJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 ZINC000032622974 556410203 /nfs/dbraw/zinc/41/02/03/556410203.db2.gz LHHOKOZMEFGVMP-OAHLLOKOSA-N 0 0 433.439 4.957 50 0 IJAARN Cc1cc2occ(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)c2cc1C(C)C ZINC000014358208 556414091 /nfs/dbraw/zinc/41/40/91/556414091.db2.gz MVSYIAMBDVDAAM-UHFFFAOYSA-N 0 0 448.972 4.950 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032672100 556414820 /nfs/dbraw/zinc/41/48/20/556414820.db2.gz JIZIXNNUENCREY-MRXNPFEDSA-N 0 0 426.519 4.582 50 0 IJAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1=O ZINC000032674778 556415549 /nfs/dbraw/zinc/41/55/49/556415549.db2.gz XZBMCIPGLBWXKX-BBRMVZONSA-N 0 0 427.476 4.637 50 0 IJAARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)ccc1OC ZINC000032666136 556417368 /nfs/dbraw/zinc/41/73/68/556417368.db2.gz CBWVECKCINVHFP-DEOSSOPVSA-N 0 0 432.476 4.589 50 0 IJAARN C[C@H](c1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(Cl)cc1)N(C)C ZINC000032668411 556418174 /nfs/dbraw/zinc/41/81/74/556418174.db2.gz MUYHMBCSJXABQT-GFCCVEGCSA-N 0 0 446.989 4.947 50 0 IJAARN CCn1c(SCC(=O)N(C)Cc2ccco2)nc2scc(-c3cccs3)c2c1=O ZINC000012975993 556421620 /nfs/dbraw/zinc/42/16/20/556421620.db2.gz PDCNKJPYPDRYLA-UHFFFAOYSA-N 0 0 445.591 4.550 50 0 IJAARN O=S(=O)(c1ccccc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012982726 556425484 /nfs/dbraw/zinc/42/54/84/556425484.db2.gz TXZKGZSWFWMDOM-CYBMUJFWSA-N 0 0 437.384 4.627 50 0 IJAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000012984744 556426238 /nfs/dbraw/zinc/42/62/38/556426238.db2.gz RPXOLNUUIPTKGO-WGERFFLFSA-N 0 0 446.975 4.503 50 0 IJAARN Cc1nc(COc2ccccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 ZINC000012986676 556427074 /nfs/dbraw/zinc/42/70/74/556427074.db2.gz KOTGZPLTUIGOCW-UHFFFAOYSA-N 0 0 433.439 4.818 50 0 IJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@]23CCC(=O)N2c2ccccc2S3)cs1 ZINC000032845094 556429265 /nfs/dbraw/zinc/42/92/65/556429265.db2.gz RTOWWAPWIYGLHZ-HSZRJFAPSA-N 0 0 433.558 4.637 50 0 IJAARN COc1ccc([C@H](CNC(=O)CCc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000032845774 556429381 /nfs/dbraw/zinc/42/93/81/556429381.db2.gz LKWNARNFAVXCKO-QFIPXVFZSA-N 0 0 442.515 4.786 50 0 IJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)no1 ZINC000032845893 556429749 /nfs/dbraw/zinc/42/97/49/556429749.db2.gz SUYQIMTXJSUARK-MWTRTKDXSA-N 0 0 449.532 4.695 50 0 IJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)c2ccccc12 ZINC000012994819 556430259 /nfs/dbraw/zinc/43/02/59/556430259.db2.gz KCADLCAEQYVCPA-IBGZPJMESA-N 0 0 430.504 4.542 50 0 IJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccc(-n3cccn3)cc2)c1 ZINC000014644256 556431183 /nfs/dbraw/zinc/43/11/83/556431183.db2.gz QUHPNJFIAALCQP-UHFFFAOYSA-N 0 0 440.528 4.872 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000013002046 556433783 /nfs/dbraw/zinc/43/37/83/556433783.db2.gz ZXYFJZSSMKNWJF-QGZVFWFLSA-N 0 0 442.357 4.678 50 0 IJAARN COc1ccc(CNc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)cc1 ZINC000027828622 556433932 /nfs/dbraw/zinc/43/39/32/556433932.db2.gz AYIREPMPNCWNQS-INIZCTEOSA-N 0 0 446.623 4.676 50 0 IJAARN CCOc1cc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)cc(OCC)c1OCC ZINC000013009676 556435349 /nfs/dbraw/zinc/43/53/49/556435349.db2.gz YWMCJFUQFGWXPK-UHFFFAOYSA-N 0 0 428.529 4.617 50 0 IJAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1Cl ZINC000014716480 556435570 /nfs/dbraw/zinc/43/55/70/556435570.db2.gz DNQFJIAPVUYDTK-UHFFFAOYSA-N 0 0 442.899 4.538 50 0 IJAARN COc1ccc(-c2cc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)on2)cc1OC ZINC000027985473 556438792 /nfs/dbraw/zinc/43/87/92/556438792.db2.gz BYJWGEWKFKJYJZ-UHFFFAOYSA-N 0 0 440.839 4.679 50 0 IJAARN NC(=O)N[C@H](CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 ZINC000013018144 556438979 /nfs/dbraw/zinc/43/89/79/556438979.db2.gz SEHOVTTUQFZOLL-BJKOFHAPSA-N 0 0 429.520 4.772 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000027991042 556439802 /nfs/dbraw/zinc/43/98/02/556439802.db2.gz UKDZESXTSNBKRZ-UHFFFAOYSA-N 0 0 427.907 4.709 50 0 IJAARN Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCOC(C)C)C3=O)cc1C ZINC000027991730 556440019 /nfs/dbraw/zinc/44/00/19/556440019.db2.gz VQVLRFRXEHYLAF-XMMPIXPASA-N 0 0 437.515 4.899 50 0 IJAARN Cc1cc(C)c(NC(=O)CCCS[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000013023879 556439985 /nfs/dbraw/zinc/43/99/85/556439985.db2.gz HLTCSMGDDDOHQO-SFHVURJKSA-N 0 0 442.581 4.862 50 0 IJAARN C[C@@H](NC(=O)CSCc1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1 ZINC000013027359 556441074 /nfs/dbraw/zinc/44/10/74/556441074.db2.gz HYXPRWNJVXSUJC-LLVKDONJSA-N 0 0 442.762 4.942 50 0 IJAARN CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)c1 ZINC000013038812 556444707 /nfs/dbraw/zinc/44/47/07/556444707.db2.gz LLOAOZSDYLGHCB-UHFFFAOYSA-N 0 0 430.529 4.823 50 0 IJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c3ccccc3n2)cc1 ZINC000014784730 556445411 /nfs/dbraw/zinc/44/54/11/556445411.db2.gz SQODXXZQEHMEMP-UHFFFAOYSA-N 0 0 432.501 4.566 50 0 IJAARN O=C(Cc1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000011028398 556445481 /nfs/dbraw/zinc/44/54/81/556445481.db2.gz AJVZYQDQWHUZAW-QGZVFWFLSA-N 0 0 446.887 4.597 50 0 IJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2OC)cc1 ZINC000013042492 556448507 /nfs/dbraw/zinc/44/85/07/556448507.db2.gz NWXCCIQSRFLZDL-QGZVFWFLSA-N 0 0 433.508 4.704 50 0 IJAARN CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1Cl ZINC000028288947 556448788 /nfs/dbraw/zinc/44/87/88/556448788.db2.gz IVSHRILGUQHHHH-SFHVURJKSA-N 0 0 433.335 4.913 50 0 IJAARN Cc1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc1-c1ccc(F)c(F)c1 ZINC000014849512 556450044 /nfs/dbraw/zinc/45/00/44/556450044.db2.gz DDBYUSWCAODIGN-OAHLLOKOSA-N 0 0 427.476 4.926 50 0 IJAARN Cc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1-c1ccc(F)c(F)c1 ZINC000014849514 556450173 /nfs/dbraw/zinc/45/01/73/556450173.db2.gz DDBYUSWCAODIGN-HNNXBMFYSA-N 0 0 427.476 4.926 50 0 IJAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000028308711 556452026 /nfs/dbraw/zinc/45/20/26/556452026.db2.gz WBNDNCPJHIUQSE-CPNJWEJPSA-N 0 0 425.282 4.760 50 0 IJAARN Cc1cnc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)s1 ZINC000028403012 556453329 /nfs/dbraw/zinc/45/33/29/556453329.db2.gz XQTWIMMTHIGIJD-UHFFFAOYSA-N 0 0 439.335 4.688 50 0 IJAARN CCn1c(-c2cccc(C)c2)nn(CN(C)CC(=O)Nc2ccc(Cl)cc2)c1=S ZINC000013071969 556453822 /nfs/dbraw/zinc/45/38/22/556453822.db2.gz YJDMHFUIHCLJMJ-UHFFFAOYSA-N 0 0 429.977 4.591 50 0 IJAARN C[C@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2)C1 ZINC000028406117 556453951 /nfs/dbraw/zinc/45/39/51/556453951.db2.gz QGKGEANJRXVLFF-INIZCTEOSA-N 0 0 428.496 4.524 50 0 IJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F)c1ccccc1Cl ZINC000013074824 556455344 /nfs/dbraw/zinc/45/53/44/556455344.db2.gz CDQVGDKOBUVGLV-QHCPKHFHSA-N 0 0 449.913 4.618 50 0 IJAARN CCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000028503932 556456042 /nfs/dbraw/zinc/45/60/42/556456042.db2.gz LHWBRZGRLCMBAR-UHFFFAOYSA-N 0 0 445.519 4.585 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)NCc2ccc(C)cc2)n1Cc1ccccc1 ZINC000013100669 556460125 /nfs/dbraw/zinc/46/01/25/556460125.db2.gz YPOFJLHQDJPOBA-UHFFFAOYSA-N 0 0 432.549 4.612 50 0 IJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000013102841 556461307 /nfs/dbraw/zinc/46/13/07/556461307.db2.gz OUZWDRQTONNOMS-UHFFFAOYSA-N 0 0 438.934 4.500 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(C)c1 ZINC000004411583 556461664 /nfs/dbraw/zinc/46/16/64/556461664.db2.gz BVFYXWCYKCSSED-UHFFFAOYSA-N 0 0 433.537 4.637 50 0 IJAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Br)cc2)c1 ZINC000032959099 556462832 /nfs/dbraw/zinc/46/28/32/556462832.db2.gz KJZDKCBHRAWRQZ-UHFFFAOYSA-N 0 0 448.320 4.977 50 0 IJAARN COc1ccc(NC(=O)CCC2CCN(C(=O)c3ccccc3SC)CC2)c(OC)c1 ZINC000014957802 556463130 /nfs/dbraw/zinc/46/31/30/556463130.db2.gz NPHVFTMELOFBLJ-UHFFFAOYSA-N 0 0 442.581 4.697 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c(C)n1Cc1ccco1 ZINC000013112337 556464493 /nfs/dbraw/zinc/46/44/93/556464493.db2.gz AONJLDWQSXABDL-UHFFFAOYSA-N 0 0 426.567 4.502 50 0 IJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1C ZINC000013112299 556464502 /nfs/dbraw/zinc/46/45/02/556464502.db2.gz YOPCDHXAUCYQNN-QGZVFWFLSA-N 0 0 434.492 4.711 50 0 IJAARN Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c2cnn(C(C)C)c2n1 ZINC000029076820 556466583 /nfs/dbraw/zinc/46/65/83/556466583.db2.gz PYWSDEZZOYWICE-UHFFFAOYSA-N 0 0 445.445 4.940 50 0 IJAARN CO[C@H](C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1)c1ccccc1 ZINC000014973393 556467744 /nfs/dbraw/zinc/46/77/44/556467744.db2.gz ULPYOBNDGLAKMJ-JPYJTQIMSA-N 0 0 439.508 4.564 50 0 IJAARN COCc1ccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)o1 ZINC000014979082 556469847 /nfs/dbraw/zinc/46/98/47/556469847.db2.gz WVABBHQRCASVHT-UHFFFAOYSA-N 0 0 446.975 4.749 50 0 IJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000013120998 556473556 /nfs/dbraw/zinc/47/35/56/556473556.db2.gz KERRZGUCLTYZPF-UHFFFAOYSA-N 0 0 440.499 4.676 50 0 IJAARN C[C@@H](NCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3)c1nccs1 ZINC000014989969 556474389 /nfs/dbraw/zinc/47/43/89/556474389.db2.gz JRNBMCSPHULFMX-CQSZACIVSA-N 0 0 437.496 4.989 50 0 IJAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004844947 556474782 /nfs/dbraw/zinc/47/47/82/556474782.db2.gz FXDKNJFEVDFYBL-UHFFFAOYSA-N 0 0 438.656 4.870 50 0 IJAARN C[C@@H](c1nnc(Sc2nccc(C(F)(F)F)n2)n1-c1ccccc1)N1CCCCC1 ZINC000029438817 556475313 /nfs/dbraw/zinc/47/53/13/556475313.db2.gz WJSUOKWSJKKUQW-AWEZNQCLSA-N 0 0 434.491 4.774 50 0 IJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000014991948 556475605 /nfs/dbraw/zinc/47/56/05/556475605.db2.gz DPOHGSUZQXOPGE-OAQYLSRUSA-N 0 0 440.588 4.829 50 0 IJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccco4)nn32)cc1 ZINC000013127182 556475698 /nfs/dbraw/zinc/47/56/98/556475698.db2.gz TVHKAQHCZSRLDN-RBUKOAKNSA-N 0 0 449.898 4.932 50 0 IJAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc2sc3ccccc3c2s1 ZINC000029475373 556476012 /nfs/dbraw/zinc/47/60/12/556476012.db2.gz OEKAYEGGICNUPC-LBPRGKRZSA-N 0 0 430.576 4.597 50 0 IJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000029519126 556477260 /nfs/dbraw/zinc/47/72/60/556477260.db2.gz CPTMWSDGUDGUJH-UHFFFAOYSA-N 0 0 442.500 4.579 50 0 IJAARN COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000013128239 556477840 /nfs/dbraw/zinc/47/78/40/556477840.db2.gz YZGDZQZSYJQMOA-QGZVFWFLSA-N 0 0 445.548 4.516 50 0 IJAARN Cc1ccc(CN(C)C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000013128819 556478482 /nfs/dbraw/zinc/47/84/82/556478482.db2.gz HLWYFNDWWWHZBS-UHFFFAOYSA-N 0 0 442.894 4.769 50 0 IJAARN CCOC(=O)C1=C(NC(=O)Cc2ccc(Cl)c(Cl)c2)Nc2ccccc2N=C1C ZINC000013132804 556481028 /nfs/dbraw/zinc/48/10/28/556481028.db2.gz KPOJURCAAOIEHP-UHFFFAOYSA-N 0 0 432.307 4.645 50 0 IJAARN O=C(c1cc2c(nc3sccn23)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000029797884 556483159 /nfs/dbraw/zinc/48/31/59/556483159.db2.gz UADFMOPNQGGRNI-CQSZACIVSA-N 0 0 425.535 4.749 50 0 IJAARN O=C(c1cc2c(nc3sccn23)s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029797885 556483206 /nfs/dbraw/zinc/48/32/06/556483206.db2.gz UADFMOPNQGGRNI-AWEZNQCLSA-N 0 0 425.535 4.749 50 0 IJAARN C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000013135145 556483478 /nfs/dbraw/zinc/48/34/78/556483478.db2.gz CBWMONOLUMVZCX-HNNXBMFYSA-N 0 0 429.505 4.676 50 0 IJAARN CCCCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000013137302 556484415 /nfs/dbraw/zinc/48/44/15/556484415.db2.gz OLZJKHMEYYZVOA-ATVHPVEESA-N 0 0 430.298 4.981 50 0 IJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072290225 556485867 /nfs/dbraw/zinc/48/58/67/556485867.db2.gz SHBMFDRUQWKYAH-QFIPXVFZSA-N 0 0 448.954 4.763 50 0 IJAARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cc(Cl)ccc1OCc1ccccc1 ZINC000015016968 556486488 /nfs/dbraw/zinc/48/64/88/556486488.db2.gz FDGHWDHCWZDDCP-NRFANRHFSA-N 0 0 428.916 4.842 50 0 IJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000029981727 556487966 /nfs/dbraw/zinc/48/79/66/556487966.db2.gz QRANLDORBRKGJO-JOCHJYFZSA-N 0 0 447.604 4.537 50 0 IJAARN CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013146395 556488327 /nfs/dbraw/zinc/48/83/27/556488327.db2.gz DCJBOBYKKWJQHI-UHFFFAOYSA-N 0 0 436.961 4.556 50 0 IJAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000013147767 556489061 /nfs/dbraw/zinc/48/90/61/556489061.db2.gz POTNDWXYSKOKJZ-UHFFFAOYSA-N 0 0 442.298 4.926 50 0 IJAARN COc1ccc2c(COC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)cc(=O)oc2c1 ZINC000013148900 556490318 /nfs/dbraw/zinc/49/03/18/556490318.db2.gz CDGIROCTIVGKHW-UHFFFAOYSA-N 0 0 440.455 4.806 50 0 IJAARN CCc1ccc(CN(C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)nc1 ZINC000015065499 556492512 /nfs/dbraw/zinc/49/25/12/556492512.db2.gz OEMUAOZHZMCVAN-UHFFFAOYSA-N 0 0 440.547 4.917 50 0 IJAARN O=C([C@H](Sc1nnc(Nc2ccccc2Cl)s1)c1ccccc1)N1CCOCC1 ZINC000013163360 556493396 /nfs/dbraw/zinc/49/33/96/556493396.db2.gz WHZZEXRLWPPRIZ-QGZVFWFLSA-N 0 0 446.985 4.627 50 0 IJAARN O=C(COc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O)N1CCc2ccccc2C1 ZINC000013164607 556496792 /nfs/dbraw/zinc/49/67/92/556496792.db2.gz CJKGMDCYNWAIKN-UHFFFAOYSA-N 0 0 445.446 4.688 50 0 IJAARN O=C(CN1CCCC[C@@H]1CNC(=O)Nc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000030590018 556499012 /nfs/dbraw/zinc/49/90/12/556499012.db2.gz ISBGDVLGHKPKNK-MRXNPFEDSA-N 0 0 435.355 4.608 50 0 IJAARN O=C(CCCc1ccccc1)NCCN(CC(F)(F)F)C(=O)CCCc1ccccc1 ZINC000072292811 556501039 /nfs/dbraw/zinc/50/10/39/556501039.db2.gz LFAGRCYOYVPWEJ-UHFFFAOYSA-N 0 0 434.502 4.539 50 0 IJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1OC ZINC000015106976 556504285 /nfs/dbraw/zinc/50/42/85/556504285.db2.gz SROAPTQWFJCOMA-CQSZACIVSA-N 0 0 441.505 4.629 50 0 IJAARN O=C(Nc1cc(F)cc(F)c1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013463754 556506429 /nfs/dbraw/zinc/50/64/29/556506429.db2.gz PZSAAUQRXGJDAI-UHFFFAOYSA-N 0 0 434.796 4.776 50 0 IJAARN CC(C)c1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000032885486 556509795 /nfs/dbraw/zinc/50/97/95/556509795.db2.gz VXKXDILKHHEBRG-UHFFFAOYSA-N 0 0 430.533 4.635 50 0 IJAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000013514211 556511166 /nfs/dbraw/zinc/51/11/66/556511166.db2.gz UJQSIGFUNRVWII-HNNXBMFYSA-N 0 0 440.953 4.676 50 0 IJAARN CCn1c2cc(NC(=O)Nc3ccc(Cl)cc3)c(N3CCCC3)cc2n(CC)c1=O ZINC000013532917 556512648 /nfs/dbraw/zinc/51/26/48/556512648.db2.gz KZZQWVMCKSKTOO-UHFFFAOYSA-N 0 0 427.936 4.740 50 0 IJAARN O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1Cl ZINC000030902139 556515003 /nfs/dbraw/zinc/51/50/03/556515003.db2.gz JJECUIOINRLWED-QFIPXVFZSA-N 0 0 444.922 4.849 50 0 IJAARN COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000013556445 556516485 /nfs/dbraw/zinc/51/64/85/556516485.db2.gz YWEKWLBEKZTDCP-UHFFFAOYSA-N 0 0 435.549 4.734 50 0 IJAARN O=C(Nc1ccccc1N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000015309171 556518338 /nfs/dbraw/zinc/51/83/38/556518338.db2.gz ONTKMNLGPHNQMU-UHFFFAOYSA-N 0 0 425.960 4.821 50 0 IJAARN Cc1cccc(N2N=C(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2=O)c1 ZINC000032891685 556519623 /nfs/dbraw/zinc/51/96/23/556519623.db2.gz PKYNUHQMEFZZEH-UHFFFAOYSA-N 0 0 441.491 4.761 50 0 IJAARN Cc1ccccc1C1CC(N(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C2CC2)C1 ZINC000072295505 556520502 /nfs/dbraw/zinc/52/05/02/556520502.db2.gz PGOJOQFOCCOITE-UHFFFAOYSA-N 0 0 446.572 4.594 50 0 IJAARN O=C(COc1ccccc1)Nc1cccc(N(CC2CC2)C(=O)COc2ccccc2)c1 ZINC000072300879 556523939 /nfs/dbraw/zinc/52/39/39/556523939.db2.gz NJMMPRIKJUTAMM-UHFFFAOYSA-N 0 0 430.504 4.526 50 0 IJAARN O=c1c2c(nc3sc(SC/C=C/c4ccccc4)nn31)CCN(Cc1ccccc1)C2 ZINC000015414242 556526419 /nfs/dbraw/zinc/52/64/19/556526419.db2.gz OJYDMOZWDIRRPC-KPKJPENVSA-N 0 0 446.601 4.515 50 0 IJAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 ZINC000013582428 556528359 /nfs/dbraw/zinc/52/83/59/556528359.db2.gz GOKFRLRRWWQBJZ-UHFFFAOYSA-N 0 0 428.488 4.782 50 0 IJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900653 556529870 /nfs/dbraw/zinc/52/98/70/556529870.db2.gz XSOLDXNMRUBPRG-GOSISDBHSA-N 0 0 428.492 4.860 50 0 IJAARN COC(=O)c1c(NC(=O)N2CCC(Cc3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000013608127 556533606 /nfs/dbraw/zinc/53/36/06/556533606.db2.gz YUPOKOZJDAQBSR-UHFFFAOYSA-N 0 0 442.581 4.873 50 0 IJAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000015638377 556539629 /nfs/dbraw/zinc/53/96/29/556539629.db2.gz BVCNXPYNYCZOEU-KRWDZBQOSA-N 0 0 441.487 4.656 50 0 IJAARN O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000032904437 556543908 /nfs/dbraw/zinc/54/39/08/556543908.db2.gz MIVANYVWEKUMIJ-VQTJNVASSA-N 0 0 431.565 4.526 50 0 IJAARN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000015724510 556545754 /nfs/dbraw/zinc/54/57/54/556545754.db2.gz RJEMCOOCFRSODG-WMHJFFNYSA-N 0 0 432.564 4.957 50 0 IJAARN CCn1c2ccccc2c2nnc(SCc3cc(=O)n4c5ccccc5sc4n3)nc21 ZINC000032721592 556547192 /nfs/dbraw/zinc/54/71/92/556547192.db2.gz AIFJVWLYFIUVNJ-UHFFFAOYSA-N 0 0 444.545 4.514 50 0 IJAARN COc1cc(C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000072303605 556547478 /nfs/dbraw/zinc/54/74/78/556547478.db2.gz YRRZMOGCECAZHG-UHFFFAOYSA-N 0 0 443.459 4.645 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000015760515 556548790 /nfs/dbraw/zinc/54/87/90/556548790.db2.gz QLPKAYUCGPBQQP-UHFFFAOYSA-N 0 0 436.515 4.588 50 0 IJAARN COc1cccc(CNC(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000015778776 556550879 /nfs/dbraw/zinc/55/08/79/556550879.db2.gz ADDKCKYVFLDFTJ-OAQYLSRUSA-N 0 0 448.910 4.987 50 0 IJAARN CCOc1ccccc1[C@H]1Oc2nc(SCC)nnc2-c2ccccc2N1C(=O)CC ZINC000032997204 556551132 /nfs/dbraw/zinc/55/11/32/556551132.db2.gz RLZMXLLFQRHFLD-JOCHJYFZSA-N 0 0 436.537 4.884 50 0 IJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997645 556551681 /nfs/dbraw/zinc/55/16/81/556551681.db2.gz UYUNHINIAGYGEE-QFIPXVFZSA-N 0 0 435.553 4.887 50 0 IJAARN CCCC(=O)N1c2ccc(F)cc2-c2nnc(SC)nc2O[C@@H]1c1cccc(F)c1F ZINC000032997837 556551909 /nfs/dbraw/zinc/55/19/09/556551909.db2.gz AIUJBEHSJYEDDU-HXUWFJFHSA-N 0 0 446.454 4.902 50 0 IJAARN CSc1nnc2c(n1)O[C@@H](c1cc(F)ccc1F)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998235 556552248 /nfs/dbraw/zinc/55/22/48/556552248.db2.gz YNJPVHHEXCQCIE-SFHVURJKSA-N 0 0 434.855 4.636 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1nccs1 ZINC000033013612 556552948 /nfs/dbraw/zinc/55/29/48/556552948.db2.gz PTTHJHMXLDIXCY-UHFFFAOYSA-N 0 0 427.942 4.775 50 0 IJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4F)C3)c2c1C ZINC000032959951 556553578 /nfs/dbraw/zinc/55/35/78/556553578.db2.gz GPQIKMPQBXZAAZ-CYBMUJFWSA-N 0 0 447.308 4.596 50 0 IJAARN COc1cc(CN(C[C@H]2CCCO2)C(=O)c2oc3ccccc3c2C)cc(OC)c1OC ZINC000015831887 556554905 /nfs/dbraw/zinc/55/49/05/556554905.db2.gz PNVXOBJPEJRGCW-GOSISDBHSA-N 0 0 439.508 4.588 50 0 IJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000033115550 556555337 /nfs/dbraw/zinc/55/53/37/556555337.db2.gz BIUWTLIBUBYQET-UHFFFAOYSA-N 0 0 426.582 4.585 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCC(C)CC4)CC3)cc2)c1 ZINC000033115474 556555537 /nfs/dbraw/zinc/55/55/37/556555537.db2.gz YIFDRVCGNCRGSW-UHFFFAOYSA-N 0 0 426.582 4.522 50 0 IJAARN CCSc1nn(CCc2ccccc2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839133 556556330 /nfs/dbraw/zinc/55/63/30/556556330.db2.gz XWJHENWYQYXTJF-UHFFFAOYSA-N 0 0 430.577 4.746 50 0 IJAARN CCc1sc2nc(S[C@H](C)c3nc(C)no3)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000032906005 556557271 /nfs/dbraw/zinc/55/72/71/556557271.db2.gz XQLQIOWPLWUCJU-GFCCVEGCSA-N 0 0 442.566 4.871 50 0 IJAARN CC(C)CCOc1cccc(-c2nc3c4c5c(sc4[nH]c(=O)n3n2)COC(C)(C)C5)c1 ZINC000013682710 556557749 /nfs/dbraw/zinc/55/77/49/556557749.db2.gz HVNAYUOYGSLPQP-UHFFFAOYSA-N 0 0 438.553 4.988 50 0 IJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1 ZINC000033269999 556557926 /nfs/dbraw/zinc/55/79/26/556557926.db2.gz CFCKUVIQXVADAI-INIZCTEOSA-N 0 0 433.434 4.714 50 0 IJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)no2)cc1 ZINC000015859649 556558245 /nfs/dbraw/zinc/55/82/45/556558245.db2.gz CJPAWSBOMQPPPV-XMMPIXPASA-N 0 0 433.552 4.577 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1C ZINC000033274501 556558564 /nfs/dbraw/zinc/55/85/64/556558564.db2.gz UITZDTDXPAPBTO-UHFFFAOYSA-N 0 0 428.598 4.607 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cccs1 ZINC000032907400 556559079 /nfs/dbraw/zinc/55/90/79/556559079.db2.gz POKHMDIHNWWLQX-UHFFFAOYSA-N 0 0 445.997 4.673 50 0 IJAARN Cc1ccc(C(C)C)c(OC[C@H](O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1 ZINC000032907292 556559177 /nfs/dbraw/zinc/55/91/77/556559177.db2.gz VPQXRECOUUQAEE-GOSISDBHSA-N 0 0 434.561 4.997 50 0 IJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 ZINC000015913239 556563088 /nfs/dbraw/zinc/56/30/88/556563088.db2.gz OWQVVOZOHJZMFD-MRXNPFEDSA-N 0 0 443.347 4.991 50 0 IJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4cccc(Br)c4)C3)c2c1C ZINC000032960376 556567050 /nfs/dbraw/zinc/56/70/50/556567050.db2.gz KQNMHPDPBQAVQA-HNNXBMFYSA-N 0 0 443.345 4.766 50 0 IJAARN Cc1ccc(C(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccco2)cc1 ZINC000015966234 556569774 /nfs/dbraw/zinc/56/97/74/556569774.db2.gz DJDCNGKVDZESSH-UHFFFAOYSA-N 0 0 427.298 4.632 50 0 IJAARN Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1-c1ccccc1 ZINC000032960758 556571196 /nfs/dbraw/zinc/57/11/96/556571196.db2.gz QQKIQZGZYPEHCY-SFHVURJKSA-N 0 0 435.578 4.641 50 0 IJAARN COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000015799586 556572174 /nfs/dbraw/zinc/57/21/74/556572174.db2.gz JWBZXRKHACZRHH-UHFFFAOYSA-N 0 0 444.560 4.780 50 0 IJAARN COc1cc(NC(=O)c2ccccc2OC)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000032961318 556572193 /nfs/dbraw/zinc/57/21/93/556572193.db2.gz ASSHBSICQXUTQH-UHFFFAOYSA-N 0 0 433.489 4.818 50 0 IJAARN Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2cc(Br)ccc2n1 ZINC000032961450 556572537 /nfs/dbraw/zinc/57/25/37/556572537.db2.gz FLHPLGKIKJDHRC-UHFFFAOYSA-N 0 0 444.760 4.922 50 0 IJAARN CCOC(=O)C[C@H](O)C[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000034393384 556572771 /nfs/dbraw/zinc/57/27/71/556572771.db2.gz MAUQAXOHCVNUMX-YIXGJFGDSA-N 0 0 449.522 4.997 50 0 IJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc2c(cc1Br)OCCO2 ZINC000016008776 556573368 /nfs/dbraw/zinc/57/33/68/556573368.db2.gz SMPUTZLXBTUBMO-UHFFFAOYSA-N 0 0 428.282 4.636 50 0 IJAARN O=C(c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000000865827 556573462 /nfs/dbraw/zinc/57/34/62/556573462.db2.gz KQMIMACSJDBGQK-GXSJLCMTSA-N 0 0 449.296 4.603 50 0 IJAARN CC1(C)CC(=O)c2cc(C(=O)NC3CCCCC3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000001140482 556574273 /nfs/dbraw/zinc/57/42/73/556574273.db2.gz ISHNTMZPOACLKM-UHFFFAOYSA-N 0 0 426.944 4.709 50 0 IJAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032910098 556578941 /nfs/dbraw/zinc/57/89/41/556578941.db2.gz LQYKFMRERHPOAI-LJQANCHMSA-N 0 0 437.499 4.674 50 0 IJAARN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)c1 ZINC000072310172 556579217 /nfs/dbraw/zinc/57/92/17/556579217.db2.gz KJQIGQNEQVUANN-JOCHJYFZSA-N 0 0 446.588 4.532 50 0 IJAARN O=c1cc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)nc2ccc(Cl)cn12 ZINC000016051143 556581447 /nfs/dbraw/zinc/58/14/47/556581447.db2.gz NQPOPQQWWWNUHP-UHFFFAOYSA-N 0 0 449.923 4.540 50 0 IJAARN COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000016115508 556583923 /nfs/dbraw/zinc/58/39/23/556583923.db2.gz DLBIHCIXSRUTLA-SFQUDFHCSA-N 0 0 442.924 4.828 50 0 IJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)c3)nn12 ZINC000016162656 556586797 /nfs/dbraw/zinc/58/67/97/556586797.db2.gz QKIKRDUPEFOVOE-UHFFFAOYSA-N 0 0 427.917 4.638 50 0 IJAARN CCN(Cc1csc(COc2cccc(C)c2C)n1)S(=O)(=O)c1ccc(OC)cc1 ZINC000036115359 556593316 /nfs/dbraw/zinc/59/33/16/556593316.db2.gz DMRXJROYYKCJST-UHFFFAOYSA-N 0 0 446.594 4.558 50 0 IJAARN Cn1ccnc1[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000016263154 556595086 /nfs/dbraw/zinc/59/50/86/556595086.db2.gz MFFANVJKNZVUQV-SFHVURJKSA-N 0 0 426.904 4.856 50 0 IJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(OC)c1 ZINC000016261616 556595173 /nfs/dbraw/zinc/59/51/73/556595173.db2.gz HWADMZJHAUSWCK-QFIPXVFZSA-N 0 0 435.520 4.723 50 0 IJAARN COc1cccc([C@@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000036247809 556595244 /nfs/dbraw/zinc/59/52/44/556595244.db2.gz MXSISOFMUOGTDG-GOSISDBHSA-N 0 0 438.549 4.919 50 0 IJAARN CCOc1cccc([C@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NC)c1 ZINC000032977676 556600622 /nfs/dbraw/zinc/60/06/22/556600622.db2.gz DUUWKZFKCIIUNU-DEOSSOPVSA-N 0 0 441.535 4.615 50 0 IJAARN COc1ccc(C2(C(=O)Nc3ccc(C(=O)Nc4ccccc4C)cc3)CCOCC2)cc1 ZINC000016361521 556602585 /nfs/dbraw/zinc/60/25/85/556602585.db2.gz GOPSPOVHQKHJSE-UHFFFAOYSA-N 0 0 444.531 4.943 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000037398768 556602961 /nfs/dbraw/zinc/60/29/61/556602961.db2.gz MQLCBJBFDLUURC-UHFFFAOYSA-N 0 0 446.570 4.741 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000016362664 556603068 /nfs/dbraw/zinc/60/30/68/556603068.db2.gz OGCYVPRJDSEFMW-SANMLTNESA-N 0 0 430.573 4.742 50 0 IJAARN Cc1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000016362666 556603169 /nfs/dbraw/zinc/60/31/69/556603169.db2.gz OGCYVPRJDSEFMW-AREMUKBSSA-N 0 0 430.573 4.742 50 0 IJAARN CCOc1cc(C(=O)N(C[C@H]2COc3ccccc3C2)C(C)C)cc(OCC)c1OCC ZINC000032985085 556604545 /nfs/dbraw/zinc/60/45/45/556604545.db2.gz WKJJMZQSGLXZDU-IBGZPJMESA-N 0 0 441.568 4.985 50 0 IJAARN CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000016400426 556605512 /nfs/dbraw/zinc/60/55/12/556605512.db2.gz AYAPNHVFEZFFKR-QMMMGPOBSA-N 0 0 444.660 4.769 50 0 IJAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)c(Cl)cc2Cl)CC1 ZINC000016488513 556612062 /nfs/dbraw/zinc/61/20/62/556612062.db2.gz RBYWUZDQIPXKAD-UHFFFAOYSA-N 0 0 445.343 4.805 50 0 IJAARN COc1ccc(Oc2ncccc2NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000032915373 556612336 /nfs/dbraw/zinc/61/23/36/556612336.db2.gz IGNBCODHJOHSDP-UHFFFAOYSA-N 0 0 429.270 4.906 50 0 IJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000016575519 556615828 /nfs/dbraw/zinc/61/58/28/556615828.db2.gz DSGTZEYVKONJAW-UHFFFAOYSA-N 0 0 441.336 4.694 50 0 IJAARN Cc1ccc(CNC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1 ZINC000032998996 556627116 /nfs/dbraw/zinc/62/71/16/556627116.db2.gz WPWNABNLESMYDN-UHFFFAOYSA-N 0 0 441.556 4.931 50 0 IJAARN Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000039383692 556628331 /nfs/dbraw/zinc/62/83/31/556628331.db2.gz MDULVTHDYOCKQK-UHFFFAOYSA-N 0 0 445.354 4.822 50 0 IJAARN COc1ccc(C[C@@H](N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccc(OC)cc2)cc1 ZINC000016694980 556628587 /nfs/dbraw/zinc/62/85/87/556628587.db2.gz OIVBKIFJXRMZRF-MZNJEOGPSA-N 0 0 429.520 4.575 50 0 IJAARN CCN(CC)P(=NC(=O)c1ccccc1)(c1c(C)nc2ccccn21)N(CC)CC ZINC000005072686 556630765 /nfs/dbraw/zinc/63/07/65/556630765.db2.gz BJUNFCNEZOFCPB-UHFFFAOYSA-N 0 0 425.517 4.823 50 0 IJAARN CC(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005099879 556634197 /nfs/dbraw/zinc/63/41/97/556634197.db2.gz QSGAQKWTHIIAIA-HSZRJFAPSA-N 0 0 427.610 4.937 50 0 IJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000097938713 556634946 /nfs/dbraw/zinc/63/49/46/556634946.db2.gz ISBCSDJGXLXGEJ-OAQYLSRUSA-N 0 0 441.535 4.572 50 0 IJAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc2c1CC[C@H](C)C2 ZINC000033788685 556635227 /nfs/dbraw/zinc/63/52/27/556635227.db2.gz APRROCUMRVKTDW-PIZKADEWSA-N 0 0 427.522 4.820 50 0 IJAARN CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000016751042 556637368 /nfs/dbraw/zinc/63/73/68/556637368.db2.gz XLELDZGTMODBOK-RDPSFJRHSA-N 0 0 447.531 4.942 50 0 IJAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 ZINC000016753540 556638556 /nfs/dbraw/zinc/63/85/56/556638556.db2.gz ZVWFPBTZUAZROX-QHCPKHFHSA-N 0 0 426.472 4.722 50 0 IJAARN Cc1cccc(CNC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)C3CC3)c2)c1 ZINC000037601404 556646426 /nfs/dbraw/zinc/64/64/26/556646426.db2.gz OFWSZQZHYXLYJF-UHFFFAOYSA-N 0 0 430.523 4.936 50 0 IJAARN Cn1c(=O)c2scc(-c3ccccc3)c2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000016845013 556646660 /nfs/dbraw/zinc/64/66/60/556646660.db2.gz LBZBFHFMPAHWHS-UHFFFAOYSA-N 0 0 425.510 4.532 50 0 IJAARN CCc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(Cl)c4)ncn3)C[C@H]2C)cc1 ZINC000037623685 556648288 /nfs/dbraw/zinc/64/82/88/556648288.db2.gz LMQAUWIBKWXCSH-QGZVFWFLSA-N 0 0 436.943 4.836 50 0 IJAARN Cc1ccc2nc(C)c(C(=O)OCC(=O)Nc3ccnn3Cc3ccccc3Cl)cc2c1 ZINC000011723738 556648434 /nfs/dbraw/zinc/64/84/34/556648434.db2.gz JMWBWJFBZYVDRE-UHFFFAOYSA-N 0 0 448.910 4.545 50 0 IJAARN COc1ccc(S(=O)(=O)N(CCc2c[nH]c3ccc(F)cc23)Cc2cccs2)cc1 ZINC000016957286 556650689 /nfs/dbraw/zinc/65/06/89/556650689.db2.gz TYSFZBLVGKZHCO-UHFFFAOYSA-N 0 0 444.553 4.811 50 0 IJAARN CCOc1cc(C(=O)N2CCN=C2SCc2ccccc2)cc(OCC)c1OCC ZINC000011757660 556651470 /nfs/dbraw/zinc/65/14/70/556651470.db2.gz NXXQBZRHKVYOBX-UHFFFAOYSA-N 0 0 428.554 4.628 50 0 IJAARN CCOc1ccc(CC(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 ZINC000011757693 556651821 /nfs/dbraw/zinc/65/18/21/556651821.db2.gz QKUOBAJOJOUTIU-UHFFFAOYSA-N 0 0 433.371 4.522 50 0 IJAARN COc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCC[C@H]4C)s3)c2C)cc1 ZINC000033000030 556653967 /nfs/dbraw/zinc/65/39/67/556653967.db2.gz WZFOUWDWUVLTDX-OAHLLOKOSA-N 0 0 438.597 4.868 50 0 IJAARN O=C(NCc1cc(-c2ccccc2)no1)c1cc(Br)c(Br)s1 ZINC000032926395 556655361 /nfs/dbraw/zinc/65/53/61/556655361.db2.gz MFIINORAABIFSV-UHFFFAOYSA-N 0 0 442.132 4.858 50 0 IJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(Br)c(C)c4)cc(=O)n3c2cc1C ZINC000033009010 556656185 /nfs/dbraw/zinc/65/61/85/556656185.db2.gz YOHYJLFVDCNKMW-UHFFFAOYSA-N 0 0 442.338 4.849 50 0 IJAARN Cc1cccc(S(=O)(=O)Nc2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033007859 556656726 /nfs/dbraw/zinc/65/67/26/556656726.db2.gz IIBRAFIPBXRGJF-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN CCc1nc(C(=O)Nc2ccc(N(C)C(=O)OC)cc2)nn1-c1c(Cl)cccc1Cl ZINC000060301864 556657106 /nfs/dbraw/zinc/65/71/06/556657106.db2.gz HXDZJZCUJWWNAU-UHFFFAOYSA-N 0 0 448.310 4.591 50 0 IJAARN Cc1sc(-c2c(Cl)cccc2Cl)nc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000011866138 556665714 /nfs/dbraw/zinc/66/57/14/556665714.db2.gz CJVAXFXQNXVIPB-UHFFFAOYSA-N 0 0 433.364 4.783 50 0 IJAARN Cc1ccc(-c2csc3c2[nH]c(N2CCN(c4ccccc4Cl)CC2)nc3=O)cc1 ZINC000044168012 556666142 /nfs/dbraw/zinc/66/61/42/556666142.db2.gz VQMMOTSSQBESSL-UHFFFAOYSA-N 0 0 436.968 4.940 50 0 IJAARN COc1ccccc1CCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000011867428 556667168 /nfs/dbraw/zinc/66/71/68/556667168.db2.gz PULBEBMCDWAYQS-UHFFFAOYSA-N 0 0 433.504 4.683 50 0 IJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000044803592 556667794 /nfs/dbraw/zinc/66/77/94/556667794.db2.gz SBGZBYNEOYTBIP-HNNXBMFYSA-N 0 0 440.931 4.546 50 0 IJAARN Cc1cccc([C@H]2c3c(=O)[nH]c(SCC(C)C)nc3NC(C)=C2C(=O)OC(C)C)c1 ZINC000017122824 556668581 /nfs/dbraw/zinc/66/85/81/556668581.db2.gz SHALIJJTFFYUNQ-GOSISDBHSA-N 0 0 427.570 4.609 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 ZINC000017135343 556669116 /nfs/dbraw/zinc/66/91/16/556669116.db2.gz QBTSTKIBERBJDI-UHFFFAOYSA-N 0 0 430.533 4.766 50 0 IJAARN CCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000011914947 556674223 /nfs/dbraw/zinc/67/42/23/556674223.db2.gz SWOJUUNHIUUXAD-VWLOTQADSA-N 0 0 440.503 4.630 50 0 IJAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)cc3)on1)CCCC2 ZINC000011915933 556674436 /nfs/dbraw/zinc/67/44/36/556674436.db2.gz NIYABTSGXPYUCP-UHFFFAOYSA-N 0 0 429.929 4.937 50 0 IJAARN COc1cc(OC)c(C2=CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000011918574 556675066 /nfs/dbraw/zinc/67/50/66/556675066.db2.gz RDMQDICMHQHCQU-UHFFFAOYSA-N 0 0 445.943 4.839 50 0 IJAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(F)c3)on1)CCCC2 ZINC000011916895 556675091 /nfs/dbraw/zinc/67/50/91/556675091.db2.gz BFKRWCWVBIDKDH-UHFFFAOYSA-N 0 0 427.501 4.731 50 0 IJAARN C[C@H]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)c2cc(C(F)(F)F)ccc2S1 ZINC000032933473 556677604 /nfs/dbraw/zinc/67/76/04/556677604.db2.gz LAXFJMAKUHEBKY-ZDUSSCGKSA-N 0 0 443.512 4.781 50 0 IJAARN CNC(=O)c1ccccc1NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccc(OC)cc1 ZINC000011985894 556678320 /nfs/dbraw/zinc/67/83/20/556678320.db2.gz NSSHBQRPXUVBIB-UHFFFAOYSA-N 0 0 445.494 4.914 50 0 IJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(Cl)ccc2OC(C)C)cc1 ZINC000018093621 556683921 /nfs/dbraw/zinc/68/39/21/556683921.db2.gz ITDGRXQWLNFJRP-HXUWFJFHSA-N 0 0 429.973 4.867 50 0 IJAARN CC[C@@H](NC(=O)N1c2cc(C)c(C)cc2C(C)=CC1(C)C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018181240 556686097 /nfs/dbraw/zinc/68/60/97/556686097.db2.gz DMFZBFSDPYBGJX-JQVVWYNYSA-N 0 0 437.584 4.926 50 0 IJAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018191673 556686176 /nfs/dbraw/zinc/68/61/76/556686176.db2.gz MHJCCIXRHSFRDJ-UHFFFAOYSA-N 0 0 429.870 4.915 50 0 IJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCc1ccc(C)cc1 ZINC000046006405 556690415 /nfs/dbraw/zinc/69/04/15/556690415.db2.gz YIMCWXWELULOFK-UHFFFAOYSA-N 0 0 442.563 4.912 50 0 IJAARN COc1ccccc1NCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001194332 556692553 /nfs/dbraw/zinc/69/25/53/556692553.db2.gz QWSMVGJKFHYZAO-YBEGLDIGSA-N 0 0 435.368 4.729 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCCCCC1 ZINC000046141316 556692807 /nfs/dbraw/zinc/69/28/07/556692807.db2.gz KGQVQOPPGZGHTN-UHFFFAOYSA-N 0 0 437.974 4.992 50 0 IJAARN CCCCN(C)S(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141459 556692940 /nfs/dbraw/zinc/69/29/40/556692940.db2.gz CTWDGFBVJVHIAG-UHFFFAOYSA-N 0 0 425.963 4.848 50 0 IJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NCc1ccccc1C ZINC000046141419 556692945 /nfs/dbraw/zinc/69/29/45/556692945.db2.gz LZNZCDGASTYVFV-UHFFFAOYSA-N 0 0 443.525 4.700 50 0 IJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nncn3C3CC3)nc21 ZINC000010649330 556694430 /nfs/dbraw/zinc/69/44/30/556694430.db2.gz FGHSIUPNQCDFBQ-UHFFFAOYSA-N 0 0 435.578 4.857 50 0 IJAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000024281540 556700332 /nfs/dbraw/zinc/70/03/32/556700332.db2.gz VWVVMOYYLRCCDW-UHFFFAOYSA-N 0 0 430.551 4.801 50 0 IJAARN CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc(C)n1 ZINC000033027419 556706422 /nfs/dbraw/zinc/70/64/22/556706422.db2.gz XUMAEEVGCNEGKX-UHFFFAOYSA-N 0 0 439.585 4.792 50 0 IJAARN CC(C)c1ccc(/C=C/C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013692337 556712006 /nfs/dbraw/zinc/71/20/06/556712006.db2.gz WLBRVJZWQHPRFI-KCQSEKJDSA-N 0 0 449.576 4.685 50 0 IJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cc(Br)cnc1Cl ZINC000060341511 556712237 /nfs/dbraw/zinc/71/22/37/556712237.db2.gz BZEUVBHECFMLQI-UHFFFAOYSA-N 0 0 426.101 4.648 50 0 IJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)c1OC ZINC000019221201 556715411 /nfs/dbraw/zinc/71/54/11/556715411.db2.gz VOCGLDSRDWWJJI-QHCPKHFHSA-N 0 0 446.576 4.845 50 0 IJAARN COc1ccc(Oc2c(=O)c3ccc4c(c3oc2C(F)(F)F)CN(C2CC2)CO4)cc1 ZINC000013722805 556717506 /nfs/dbraw/zinc/71/75/06/556717506.db2.gz FRIAGDVNHSUKLM-UHFFFAOYSA-N 0 0 433.382 4.927 50 0 IJAARN CCOC(=O)[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)OC(C)(C)C ZINC000052507658 556717991 /nfs/dbraw/zinc/71/79/91/556717991.db2.gz RXDLNDKTYFWUDM-QFIPXVFZSA-N 0 0 438.524 4.746 50 0 IJAARN COc1ccc(-c2noc(CCCCCNC(=O)Cc3c(F)cccc3Cl)n2)cc1 ZINC000024298594 556718566 /nfs/dbraw/zinc/71/85/66/556718566.db2.gz PWXFIWMEPJVPBO-UHFFFAOYSA-N 0 0 431.895 4.609 50 0 IJAARN O=C(Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1)C1CC1 ZINC000033036160 556718663 /nfs/dbraw/zinc/71/86/63/556718663.db2.gz DFZYTGFIVFSYCI-UHFFFAOYSA-N 0 0 429.343 4.589 50 0 IJAARN CCCCCC(=O)Nc1ccc(C(=O)CSc2ccc(-n3nc(C)cc3C)nn2)cc1 ZINC000011139447 556719704 /nfs/dbraw/zinc/71/97/04/556719704.db2.gz ORZVKDXAXJKPMW-UHFFFAOYSA-N 0 0 437.569 4.773 50 0 IJAARN Cc1cccc(-n2c(=O)c3sccc3nc2SCC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000072328268 556724964 /nfs/dbraw/zinc/72/49/64/556724964.db2.gz WGWCGUZDFFWEHB-UHFFFAOYSA-N 0 0 443.500 4.765 50 0 IJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 ZINC000072328667 556726053 /nfs/dbraw/zinc/72/60/53/556726053.db2.gz FHJJYRUADOBPRQ-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)[nH]n2)cc1 ZINC000072331239 556730196 /nfs/dbraw/zinc/73/01/96/556730196.db2.gz LIOUGVFMCDNWSL-UHFFFAOYSA-N 0 0 432.568 4.835 50 0 IJAARN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)cnc1Cl ZINC000060358847 556731994 /nfs/dbraw/zinc/73/19/94/556731994.db2.gz XDVBCBHSYVDTGQ-SECBINFHSA-N 0 0 437.643 4.714 50 0 IJAARN C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)cnc1Cl ZINC000060358846 556732066 /nfs/dbraw/zinc/73/20/66/556732066.db2.gz XDVBCBHSYVDTGQ-VIFPVBQESA-N 0 0 437.643 4.714 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)[C@H](C)c2ccncn2)cc1F ZINC000055060819 556732963 /nfs/dbraw/zinc/73/29/63/556732963.db2.gz WUBXYPQMPCAXGY-GOSISDBHSA-N 0 0 431.515 4.978 50 0 IJAARN O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000019315510 556735862 /nfs/dbraw/zinc/73/58/62/556735862.db2.gz LZUWFVUESRBSLI-AWEZNQCLSA-N 0 0 428.585 4.751 50 0 IJAARN O[C@@H](c1ccc2c(c1)CN(Cc1cc[nH]n1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000055283277 556739751 /nfs/dbraw/zinc/73/97/51/556739751.db2.gz ZYHVSLAQMFMXSW-MHZLTWQESA-N 0 0 425.532 4.670 50 0 IJAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)COc4ccccc4)ccc32)C1 ZINC000055551706 556742239 /nfs/dbraw/zinc/74/22/39/556742239.db2.gz FSNOBVVHWRVNFJ-LJQANCHMSA-N 0 0 426.520 4.631 50 0 IJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000057486606 556747833 /nfs/dbraw/zinc/74/78/33/556747833.db2.gz FLFRURACVFEAOU-UHFFFAOYSA-N 0 0 426.835 4.645 50 0 IJAARN C[C@@H](c1ccco1)N(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1 ZINC000058004953 556752675 /nfs/dbraw/zinc/75/26/75/556752675.db2.gz QWKGNCXIVQFVJR-HNNXBMFYSA-N 0 0 428.485 4.585 50 0 IJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N(CCc1ccccc1)Cc1cccs1 ZINC000019429251 556755611 /nfs/dbraw/zinc/75/56/11/556755611.db2.gz QTULKLHTPILVIA-UHFFFAOYSA-N 0 0 438.622 4.916 50 0 IJAARN O=C(OCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000058102520 556758175 /nfs/dbraw/zinc/75/81/75/556758175.db2.gz OXUBBFPDGUZLGQ-UHFFFAOYSA-N 0 0 440.377 4.641 50 0 IJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(I)cc1 ZINC000002373776 556761048 /nfs/dbraw/zinc/76/10/48/556761048.db2.gz QREOKNKTWWLIJU-UHFFFAOYSA-N 0 0 441.228 4.747 50 0 IJAARN Cc1csc(Sc2c(Cl)cccc2NC(=O)Cn2cnc3ccccc3c2=O)n1 ZINC000058156568 556762818 /nfs/dbraw/zinc/76/28/18/556762818.db2.gz PDRVAOKKICXZBA-UHFFFAOYSA-N 0 0 442.953 4.605 50 0 IJAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000058159414 556763791 /nfs/dbraw/zinc/76/37/91/556763791.db2.gz DMULKESJSIWBMG-UHFFFAOYSA-N 0 0 445.457 4.781 50 0 IJAARN COc1ccc(NC(=O)CN(C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 ZINC000058160609 556764703 /nfs/dbraw/zinc/76/47/03/556764703.db2.gz KSRZWJSHMNLIOF-VWLOTQADSA-N 0 0 431.536 4.562 50 0 IJAARN CC(=O)c1ccc(N2CCN([C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000058161326 556765123 /nfs/dbraw/zinc/76/51/23/556765123.db2.gz WVIAUNMSQOLMKU-SANMLTNESA-N 0 0 427.548 4.700 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1 ZINC000058169366 556767796 /nfs/dbraw/zinc/76/77/96/556767796.db2.gz OMDLYRIAJHRZTJ-NRFANRHFSA-N 0 0 445.922 4.696 50 0 IJAARN Cc1csc(Sc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)c(C)c2)n1 ZINC000058174250 556769115 /nfs/dbraw/zinc/76/91/15/556769115.db2.gz KLYVAOFJPAYUDC-UHFFFAOYSA-N 0 0 448.573 4.768 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)cc2)cc1 ZINC000206598221 556770432 /nfs/dbraw/zinc/77/04/32/556770432.db2.gz VFWXHBJWQUNWBA-UHFFFAOYSA-N 0 0 449.601 4.532 50 0 IJAARN CCN(C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000058202293 556771469 /nfs/dbraw/zinc/77/14/69/556771469.db2.gz HAIXMYNCVYUPOC-ZCNNSNEGSA-N 0 0 427.564 4.728 50 0 IJAARN Cc1cc(-c2cc(C(=O)NCCc3ccn(-c4ccccc4)n3)c3c(C)noc3n2)c(C)o1 ZINC000058209872 556771962 /nfs/dbraw/zinc/77/19/62/556771962.db2.gz MQJZQFNGVRJPCP-UHFFFAOYSA-N 0 0 441.491 4.566 50 0 IJAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000058331370 556781647 /nfs/dbraw/zinc/78/16/47/556781647.db2.gz YDYMITVVNTZXEE-UHFFFAOYSA-N 0 0 428.492 4.784 50 0 IJAARN CC1CCN(C(=O)[C@@H](NC(=O)Nc2ccccc2Br)c2ccccc2)CC1 ZINC000058363090 556782982 /nfs/dbraw/zinc/78/29/82/556782982.db2.gz OSKMBXLIHRVPQN-IBGZPJMESA-N 0 0 430.346 4.570 50 0 IJAARN c1sc2nc(C3CC3)nc(N3CCN(Cc4ccncc4)CC3)c2c1-c1ccccc1 ZINC000058434542 556788261 /nfs/dbraw/zinc/78/82/61/556788261.db2.gz OFLYHGPGGQPPRF-UHFFFAOYSA-N 0 0 427.577 4.953 50 0 IJAARN COc1ccccc1N1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000058450328 556789232 /nfs/dbraw/zinc/78/92/32/556789232.db2.gz RTCYVGUYZKYPOO-UHFFFAOYSA-N 0 0 433.577 4.607 50 0 IJAARN Cc1nc(-c2cccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)c2)n[nH]1 ZINC000059361333 556798867 /nfs/dbraw/zinc/79/88/67/556798867.db2.gz QDQBFWRJJXBODN-UHFFFAOYSA-N 0 0 446.820 4.890 50 0 IJAARN COc1cc(-c2noc(CN(Cc3ccc(F)cc3F)C3CC3)n2)ccc1OC(F)F ZINC000059388198 556799207 /nfs/dbraw/zinc/79/92/07/556799207.db2.gz LHTVLAZRASXKQE-UHFFFAOYSA-N 0 0 437.393 4.789 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N(CCc2ccccc2)Cc2ccccc2)c1C ZINC000002644331 556801920 /nfs/dbraw/zinc/80/19/20/556801920.db2.gz VDMAUFSJPZHLMN-NRFANRHFSA-N 0 0 446.547 4.651 50 0 IJAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)Cc1ccccc1 ZINC000003230595 556805965 /nfs/dbraw/zinc/80/59/65/556805965.db2.gz VMZCDWLHNJIEQU-UHFFFAOYSA-N 0 0 437.517 4.734 50 0 IJAARN CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC ZINC000003279399 556808192 /nfs/dbraw/zinc/80/81/92/556808192.db2.gz VFTLASVJRDGAED-GFCCVEGCSA-N 0 0 426.296 4.975 50 0 IJAARN O=C(OCc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000003303621 556808871 /nfs/dbraw/zinc/80/88/71/556808871.db2.gz SHBRJXKURRKQHR-VQTJNVASSA-N 0 0 442.353 4.888 50 0 IJAARN CCCn1c(SCC(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000003304309 556809183 /nfs/dbraw/zinc/80/91/83/556809183.db2.gz MFTDSRSUCXSMTL-UHFFFAOYSA-N 0 0 433.643 4.630 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Oc2ccc(OC)cc2C(C)(C)C)cc1 ZINC000003324109 556810456 /nfs/dbraw/zinc/81/04/56/556810456.db2.gz QMSFPNRFDQWLPR-LFIBNONCSA-N 0 0 445.581 4.642 50 0 IJAARN CCCCn1nnnc1CSc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 ZINC000005469620 556810515 /nfs/dbraw/zinc/81/05/15/556810515.db2.gz YSFULSUJWGISMF-UHFFFAOYSA-N 0 0 427.578 4.538 50 0 IJAARN O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1Cl ZINC000003300763 556811231 /nfs/dbraw/zinc/81/12/31/556811231.db2.gz CUDZPXHYVKKSAL-UHFFFAOYSA-N 0 0 431.879 4.988 50 0 IJAARN CCOC(=O)c1sc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1C ZINC000003360984 556811745 /nfs/dbraw/zinc/81/17/45/556811745.db2.gz MOFKFZXLCOLSTD-UHFFFAOYSA-N 0 0 425.506 4.830 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000003422473 556814960 /nfs/dbraw/zinc/81/49/60/556814960.db2.gz FGCFCCCGFSJESA-UHFFFAOYSA-N 0 0 448.500 4.803 50 0 IJAARN CCOc1ccc(-c2nc(COC(=O)c3cc(OC)c(C)c(OC)c3)cs2)cc1OC ZINC000003448550 556815732 /nfs/dbraw/zinc/81/57/32/556815732.db2.gz WJDIADDJCPYGMM-UHFFFAOYSA-N 0 0 443.521 4.900 50 0 IJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000064450490 556824203 /nfs/dbraw/zinc/82/42/03/556824203.db2.gz YKXFEOFXAKGNGA-UHFFFAOYSA-N 0 0 425.535 4.907 50 0 IJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccc(F)cc1 ZINC000064661995 556825945 /nfs/dbraw/zinc/82/59/45/556825945.db2.gz BPQIRSBVFPXWIJ-RUZDIDTESA-N 0 0 447.535 4.573 50 0 IJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccsc32)C(=O)N1CCc1cccs1 ZINC000064662011 556825950 /nfs/dbraw/zinc/82/59/50/556825950.db2.gz GFPVTCXPLWRSFY-DEOSSOPVSA-N 0 0 449.601 4.538 50 0 IJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1cccc(Cl)c1 ZINC000064662023 556825985 /nfs/dbraw/zinc/82/59/85/556825985.db2.gz GZNFTRJTQIBTCF-HSZRJFAPSA-N 0 0 441.984 4.830 50 0 IJAARN COc1ccccc1Cc1nc2ccccc2nc1S[C@H](C)C(=O)NCc1ccco1 ZINC000033068684 556829094 /nfs/dbraw/zinc/82/90/94/556829094.db2.gz RUSRTEXYBPAJJC-MRXNPFEDSA-N 0 0 433.533 4.619 50 0 IJAARN CCCc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000065003488 556831459 /nfs/dbraw/zinc/83/14/59/556831459.db2.gz VBZKILIJQWWZPI-IBGZPJMESA-N 0 0 448.588 4.709 50 0 IJAARN COc1ccc(C(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1COc1ccc(Cl)cc1 ZINC000019635092 556834665 /nfs/dbraw/zinc/83/46/65/556834665.db2.gz SOSDGFWYBYQSDW-JOCHJYFZSA-N 0 0 441.959 4.969 50 0 IJAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000019639240 556836695 /nfs/dbraw/zinc/83/66/95/556836695.db2.gz JVCOLLWTARTTBW-NSHDSACASA-N 0 0 443.832 4.522 50 0 IJAARN C[C@H](Sc1c(Cl)cccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008723998 556843467 /nfs/dbraw/zinc/84/34/67/556843467.db2.gz FDBQSFAQDVCIIC-QMMMGPOBSA-N 0 0 437.270 4.646 50 0 IJAARN C[C@@H](c1ccccc1)n1c(SCC(=O)N(C)c2ccccc2)nc2ccccc2c1=O ZINC000008852939 556850166 /nfs/dbraw/zinc/85/01/66/556850166.db2.gz MRWWDLMMZFEXGB-SFHVURJKSA-N 0 0 429.545 4.761 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089243 556857785 /nfs/dbraw/zinc/85/77/85/556857785.db2.gz QPMVKIHVQFFSTQ-CABCVRRESA-N 0 0 439.353 4.632 50 0 IJAARN CCOc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089212 556857843 /nfs/dbraw/zinc/85/78/43/556857843.db2.gz NBBFZFISLGUQHN-LBPRGKRZSA-N 0 0 427.298 4.532 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)c1 ZINC000033113023 556859748 /nfs/dbraw/zinc/85/97/48/556859748.db2.gz VFXHQNRMGVWBRK-OAHLLOKOSA-N 0 0 439.516 4.649 50 0 IJAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3C)C2)s1 ZINC000033113236 556859966 /nfs/dbraw/zinc/85/99/66/556859966.db2.gz MHMNNGKOXSXMNG-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000033113484 556860321 /nfs/dbraw/zinc/86/03/21/556860321.db2.gz ZOAMJJGJYMAYPR-KRWDZBQOSA-N 0 0 435.553 4.819 50 0 IJAARN C[C@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116000 556861747 /nfs/dbraw/zinc/86/17/47/556861747.db2.gz KDVUFAOGIPDNMQ-SFHVURJKSA-N 0 0 431.536 4.606 50 0 IJAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1F)N1CCN(c2ccccn2)CC1 ZINC000033116273 556862005 /nfs/dbraw/zinc/86/20/05/556862005.db2.gz ARWYWOGICCKLBA-UHFFFAOYSA-N 0 0 446.551 4.745 50 0 IJAARN CCOc1ccccc1C(=O)Nc1ccc(Sc2c(CC)c(C)nc3ncnn32)cc1 ZINC000033121899 556863086 /nfs/dbraw/zinc/86/30/86/556863086.db2.gz HBGONIOLHGKAAB-UHFFFAOYSA-N 0 0 433.537 4.797 50 0 IJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3C)ccc2=O)cc1C ZINC000033128069 556865108 /nfs/dbraw/zinc/86/51/08/556865108.db2.gz LRVYRIRVJMLRLD-INIZCTEOSA-N 0 0 427.957 4.930 50 0 IJAARN CCc1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128206 556865299 /nfs/dbraw/zinc/86/52/99/556865299.db2.gz AQOHPJFNAYIQSO-OAHLLOKOSA-N 0 0 427.957 4.876 50 0 IJAARN COc1ccc(CNC(=O)c2ccc(Nc3ncc(-c4cccc(F)c4)cn3)cc2)cc1 ZINC000033126492 556867332 /nfs/dbraw/zinc/86/73/32/556867332.db2.gz HKRQPRRJARWIHJ-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129937 556869576 /nfs/dbraw/zinc/86/95/76/556869576.db2.gz SVHBTCLVPOAMSR-UHFFFAOYSA-N 0 0 438.593 4.758 50 0 IJAARN CN(C(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1)C1CCCCC1 ZINC000033130024 556869758 /nfs/dbraw/zinc/86/97/58/556869758.db2.gz UUHAEKWJUILXRM-UHFFFAOYSA-N 0 0 440.609 4.933 50 0 IJAARN Cn1cnnc1Sc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000019732659 556876701 /nfs/dbraw/zinc/87/67/01/556876701.db2.gz BAPWXFZZMISZFN-GOSISDBHSA-N 0 0 438.597 4.952 50 0 IJAARN CC(=O)N[C@@H](CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccc(C)cc1)C(=O)[O-] ZINC000071257117 556879302 /nfs/dbraw/zinc/87/93/02/556879302.db2.gz COIRIEZZTSQCIQ-SANMLTNESA-N 0 0 444.575 4.636 50 0 IJAARN Cc1noc(/C=C\c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1NC(=O)C1CC1 ZINC000033171158 556882149 /nfs/dbraw/zinc/88/21/49/556882149.db2.gz RHLRJZMKUYTIGC-AUWJEWJLSA-N 0 0 437.521 4.611 50 0 IJAARN O=C(Cc1ccccc1F)Nc1ccc(-c2cn3c(C(=O)N4CCCC4)csc3n2)cc1 ZINC000033173913 556883999 /nfs/dbraw/zinc/88/39/99/556883999.db2.gz ZRQSZQBLDRFILC-UHFFFAOYSA-N 0 0 448.523 4.619 50 0 IJAARN CCCCc1nc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)c[nH]1 ZINC000019742915 556887189 /nfs/dbraw/zinc/88/71/89/556887189.db2.gz TXQWDXKEEKAXAB-QHCPKHFHSA-N 0 0 434.588 4.548 50 0 IJAARN Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)cc2)no1 ZINC000033254421 556890628 /nfs/dbraw/zinc/89/06/28/556890628.db2.gz UNUWTIVNSWXENN-UHFFFAOYSA-N 0 0 432.524 4.659 50 0 IJAARN CC[C@@H](C(=O)Nc1ccc(F)cc1F)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251192 556892048 /nfs/dbraw/zinc/89/20/48/556892048.db2.gz PNRZLPNQNQYKCM-INIZCTEOSA-N 0 0 439.384 4.900 50 0 IJAARN CCn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000033256032 556895273 /nfs/dbraw/zinc/89/52/73/556895273.db2.gz UDJQUDMKDZVFRQ-UHFFFAOYSA-N 0 0 433.487 4.509 50 0 IJAARN COc1cccc(CNC(=O)c2ccc(Nc3ccc(-c4cccc(F)c4)nn3)cc2)c1 ZINC000033257016 556895481 /nfs/dbraw/zinc/89/54/81/556895481.db2.gz MVSAVTRBUZNRII-UHFFFAOYSA-N 0 0 428.467 4.965 50 0 IJAARN Cc1cc(Cl)ccc1NC(=O)CNC(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033258423 556896103 /nfs/dbraw/zinc/89/61/03/556896103.db2.gz GNUFDJXUWLQCGO-UHFFFAOYSA-N 0 0 438.915 4.725 50 0 IJAARN Cc1nc2ncccn2c1C(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000019792960 556915533 /nfs/dbraw/zinc/91/55/33/556915533.db2.gz CJFRADDAXLJWPI-HXUWFJFHSA-N 0 0 440.503 4.565 50 0 IJAARN COc1ccc(OCc2cc(C(=O)N3CCC[C@@H]3c3ccccc3OC)no2)c(Cl)c1 ZINC000019810000 556918951 /nfs/dbraw/zinc/91/89/51/556918951.db2.gz PWNTZVCKEVPZLL-HXUWFJFHSA-N 0 0 442.899 4.902 50 0 IJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1 ZINC000019819213 556922136 /nfs/dbraw/zinc/92/21/36/556922136.db2.gz AGEGEDZHQQQFTB-UHFFFAOYSA-N 0 0 435.549 4.599 50 0 IJAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccncc2)cc1 ZINC000019823261 556924988 /nfs/dbraw/zinc/92/49/88/556924988.db2.gz ACOHQSPQWVDHLS-UHFFFAOYSA-N 0 0 449.511 4.598 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000019823627 556925114 /nfs/dbraw/zinc/92/51/14/556925114.db2.gz UHKAPFIDMYQZER-UHFFFAOYSA-N 0 0 439.903 4.853 50 0 IJAARN Cc1nc(-c2cccnc2)nc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1Cl ZINC000019880026 556936893 /nfs/dbraw/zinc/93/68/93/556936893.db2.gz XAWXNQLNCCZHKB-UHFFFAOYSA-N 0 0 448.880 4.631 50 0 IJAARN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C)C4)cc1 ZINC000019883624 556937812 /nfs/dbraw/zinc/93/78/12/556937812.db2.gz GYXPPGLQRCZYBB-UHFFFAOYSA-N 0 0 449.601 4.736 50 0 IJAARN COc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=O)c3ccccc32)cc1 ZINC000019898039 556940906 /nfs/dbraw/zinc/94/09/06/556940906.db2.gz HYXJSSINRAJIBB-UHFFFAOYSA-N 0 0 449.304 4.718 50 0 IJAARN Cc1c(C(=O)Nc2ccc(Br)cc2C)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911361 556943404 /nfs/dbraw/zinc/94/34/04/556943404.db2.gz JPXIMDWBSITMRB-UHFFFAOYSA-N 0 0 437.244 4.500 50 0 IJAARN COc1ccc(-c2c(C)nn3c2ncc2c3ccn(-c3cc(Cl)ccc3OC)c2=O)cc1 ZINC000019962655 556955939 /nfs/dbraw/zinc/95/59/39/556955939.db2.gz ZAYAFPTVVGPDFM-UHFFFAOYSA-N 0 0 446.894 4.679 50 0 IJAARN Cc1nn2c(nnc3c2ccn(-c2cccc(C(F)(F)F)c2)c3=O)c1-c1ccc(F)cc1 ZINC000019962678 556956135 /nfs/dbraw/zinc/95/61/35/556956135.db2.gz JNHSPSGBWUPGCF-UHFFFAOYSA-N 0 0 439.372 4.562 50 0 IJAARN Cc1nn(-c2ccccc2)c2sc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc12 ZINC000033264706 556974478 /nfs/dbraw/zinc/97/44/78/556974478.db2.gz YRHRXXMIPUXDPB-HNNXBMFYSA-N 0 0 429.505 4.936 50 0 IJAARN CCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1nc2ccccc2s1 ZINC000020053122 556975032 /nfs/dbraw/zinc/97/50/32/556975032.db2.gz OXNBFJOAEPXYOT-UHFFFAOYSA-N 0 0 435.534 4.973 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c(OC)c1OC ZINC000097105013 556987644 /nfs/dbraw/zinc/98/76/44/556987644.db2.gz KLVLUTXHXAFYRO-OAHLLOKOSA-N 0 0 428.535 4.827 50 0 IJAARN Cn1ccnc1[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)c1ccccc1 ZINC000023054920 556988705 /nfs/dbraw/zinc/98/87/05/556988705.db2.gz XSORBIGTYAJHBR-RAFMOHDBSA-N 0 0 427.639 4.628 50 0 IJAARN Cc1ccc(-c2nnc(NCc3cc(Br)ccc3OCC(C)(C)O)o2)s1 ZINC000097143593 556992225 /nfs/dbraw/zinc/99/22/25/556992225.db2.gz PTCNAEFERVKFJN-UHFFFAOYSA-N 0 0 438.347 4.631 50 0 IJAARN COc1ccc([C@@H](C)NC(=O)c2c(C)sc3ccn(CC(C)C)c(=O)c32)cc1OC ZINC000097151648 556992786 /nfs/dbraw/zinc/99/27/86/556992786.db2.gz QFPBLGPTYDKKDU-CQSZACIVSA-N 0 0 428.554 4.536 50 0 IJAARN COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c(F)cc1F ZINC000023074893 556995377 /nfs/dbraw/zinc/99/53/77/556995377.db2.gz AFCZMHCIGJTZSA-QMMMGPOBSA-N 0 0 448.647 4.573 50 0 IJAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1=O ZINC000020213508 556999080 /nfs/dbraw/zinc/99/90/80/556999080.db2.gz QSVKEBOWBBKWLO-OAHLLOKOSA-N 0 0 426.929 4.527 50 0 IJAARN CCCC(=O)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347273 557009155 /nfs/dbraw/zinc/00/91/55/557009155.db2.gz PKINNKVVZRSOIJ-UHFFFAOYSA-N 0 0 441.575 4.973 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@H](C)c2ccccc2)c2ccccc23)cc1 ZINC000020355922 557009955 /nfs/dbraw/zinc/00/99/55/557009955.db2.gz WFFAIUONGFTTTE-QGZVFWFLSA-N 0 0 443.532 4.592 50 0 IJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2OC)c(C)n1 ZINC000020363095 557011873 /nfs/dbraw/zinc/01/18/73/557011873.db2.gz JAWKYJOSFOGPQJ-RUZDIDTESA-N 0 0 430.552 4.858 50 0 IJAARN CN1CCc2c(sc3nc(NC4CCCCC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020393934 557013198 /nfs/dbraw/zinc/01/31/98/557013198.db2.gz PTBJXELQXRIDKL-UHFFFAOYSA-N 0 0 428.989 4.833 50 0 IJAARN COc1ccc(-c2noc(CSCC(=O)Nc3cc(Cl)ccc3C)n2)cc1OC ZINC000032943010 557013431 /nfs/dbraw/zinc/01/34/31/557013431.db2.gz OTUBTFVFSZXCDF-UHFFFAOYSA-N 0 0 433.917 4.588 50 0 IJAARN Cc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(Cl)cc5)n4ccn3n2)cc1 ZINC000045971271 557014226 /nfs/dbraw/zinc/01/42/26/557014226.db2.gz XIJGCGOEIXIEGR-UHFFFAOYSA-N 0 0 448.939 4.737 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C1CC1 ZINC000011264758 557014825 /nfs/dbraw/zinc/01/48/25/557014825.db2.gz XWRPFRHILVHGTO-INIZCTEOSA-N 0 0 432.549 4.741 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(O[C@@H](C)C(=O)NCc3ccccc3Cl)cc(C)c12 ZINC000045991667 557017045 /nfs/dbraw/zinc/01/70/45/557017045.db2.gz QNQMNGZMILPAQO-KRWDZBQOSA-N 0 0 434.927 4.774 50 0 IJAARN Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cc2ccccc2o1 ZINC000010681711 557017248 /nfs/dbraw/zinc/01/72/48/557017248.db2.gz FPMRGJDLCJQCEO-UHFFFAOYSA-N 0 0 430.436 4.561 50 0 IJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1)n2C ZINC000046016916 557019640 /nfs/dbraw/zinc/01/96/40/557019640.db2.gz HEGXPNWPPWYOFZ-IBGZPJMESA-N 0 0 449.576 4.726 50 0 IJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(-c3cccs3)n2C)o1 ZINC000010710411 557019777 /nfs/dbraw/zinc/01/97/77/557019777.db2.gz RHGDSVRFSHBBIJ-UHFFFAOYSA-N 0 0 436.522 4.849 50 0 IJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1C)n2C ZINC000046017005 557020159 /nfs/dbraw/zinc/02/01/59/557020159.db2.gz QGRUIZWNXOJNTM-IBGZPJMESA-N 0 0 449.576 4.644 50 0 IJAARN Cc1ccc(-n2c(SCC(=O)NC[C@H](C)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000010731233 557022056 /nfs/dbraw/zinc/02/20/56/557022056.db2.gz SWVQKZBIJWLUQZ-IBGZPJMESA-N 0 0 443.576 4.650 50 0 IJAARN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000046032508 557025118 /nfs/dbraw/zinc/02/51/18/557025118.db2.gz RJOCLHLEGYCEIF-UHFFFAOYSA-N 0 0 446.576 4.630 50 0 IJAARN Cc1cc2nc(COc3ccc(C)cc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)n2o1 ZINC000046048006 557026038 /nfs/dbraw/zinc/02/60/38/557026038.db2.gz DRUPHYVMZRPXQT-UHFFFAOYSA-N 0 0 447.535 4.638 50 0 IJAARN O=C(/C=C\c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000098028405 557028362 /nfs/dbraw/zinc/02/83/62/557028362.db2.gz CFYJMTANOLXFMY-GDNBJRDFSA-N 0 0 445.950 4.954 50 0 IJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056992 557028819 /nfs/dbraw/zinc/02/88/19/557028819.db2.gz JVAVAZLCFTYNME-GOSISDBHSA-N 0 0 438.325 4.869 50 0 IJAARN C[C@@H](NC(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1)c1ccccc1Cl ZINC000032945468 557028975 /nfs/dbraw/zinc/02/89/75/557028975.db2.gz YWFSSWKMZRUIDT-OLZOCXBDSA-N 0 0 435.908 4.972 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c(OC)c1 ZINC000046078583 557033600 /nfs/dbraw/zinc/03/36/00/557033600.db2.gz QZHXGHRDYXGWAC-UHFFFAOYSA-N 0 0 430.504 4.858 50 0 IJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cc1 ZINC000046079101 557034129 /nfs/dbraw/zinc/03/41/29/557034129.db2.gz XZASUSLMDZKWIO-UHFFFAOYSA-N 0 0 446.478 4.848 50 0 IJAARN O=C(NCCc1ccccc1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000046079726 557034965 /nfs/dbraw/zinc/03/49/65/557034965.db2.gz YILCDUPJLAZTCX-UHFFFAOYSA-N 0 0 431.511 4.631 50 0 IJAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000046079699 557035023 /nfs/dbraw/zinc/03/50/23/557035023.db2.gz XNUHKMKRPDRUEO-UHFFFAOYSA-N 0 0 433.483 4.919 50 0 IJAARN O=C(CC1CCCC1)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123423 557037178 /nfs/dbraw/zinc/03/71/78/557037178.db2.gz JHIZVGCMZQMNNL-HNNXBMFYSA-N 0 0 432.977 4.730 50 0 IJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000017178330 557037920 /nfs/dbraw/zinc/03/79/20/557037920.db2.gz HOMBVZFQDZOLOB-UHFFFAOYSA-N 0 0 448.588 4.569 50 0 IJAARN C[C@@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023181486 557045422 /nfs/dbraw/zinc/04/54/22/557045422.db2.gz RUQKSNZSRCZIAH-WZONZLPQSA-N 0 0 439.556 4.928 50 0 IJAARN O=S1(=O)CCN(Cc2ccccc2)c2c(Oc3ccccc3F)nc(F)c(Cl)c21 ZINC000024614281 557045580 /nfs/dbraw/zinc/04/55/80/557045580.db2.gz NFZWSNJFUKUUGY-UHFFFAOYSA-N 0 0 436.867 4.599 50 0 IJAARN COc1ccccc1-c1noc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022919953 557046917 /nfs/dbraw/zinc/04/69/17/557046917.db2.gz BPAKZTOJTCJHAC-UHFFFAOYSA-N 0 0 440.547 4.652 50 0 IJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000048235841 557047291 /nfs/dbraw/zinc/04/72/91/557047291.db2.gz RHXKMYSSEQRBRU-KRWDZBQOSA-N 0 0 427.501 4.529 50 0 IJAARN Cc1cccc(-c2nc(SCc3noc(CCC(=O)Nc4cccc(C)c4C)n3)n[nH]2)c1 ZINC000033270817 557047697 /nfs/dbraw/zinc/04/76/97/557047697.db2.gz RDFXWLCOWJCQPR-UHFFFAOYSA-N 0 0 448.552 4.644 50 0 IJAARN CCCc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022923200 557047760 /nfs/dbraw/zinc/04/77/60/557047760.db2.gz XCKCKKXKQWRSQK-QFIPXVFZSA-N 0 0 435.656 4.932 50 0 IJAARN CCCCOc1ccc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 ZINC000017270703 557048834 /nfs/dbraw/zinc/04/88/34/557048834.db2.gz NIIBJEAFVBXVFV-UHFFFAOYSA-N 0 0 438.528 4.748 50 0 IJAARN COc1ccc(N2C(=S)N[C@H](c3cccc(F)c3)C(C(=O)OC(C)C)=C2C)cc1OC ZINC000048253180 557052460 /nfs/dbraw/zinc/05/24/60/557052460.db2.gz RUNLOPOIBHVTQN-OAQYLSRUSA-N 0 0 444.528 4.504 50 0 IJAARN COCCn1c(=O)c2c(nc1SCc1ccccc1Cl)c(-c1ccccc1)cn2C ZINC000033273991 557053177 /nfs/dbraw/zinc/05/31/77/557053177.db2.gz OJQQZTSQIMDRED-UHFFFAOYSA-N 0 0 439.968 4.994 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5)nn43)CC2)cc1 ZINC000033275082 557053536 /nfs/dbraw/zinc/05/35/36/557053536.db2.gz GYUFBWPXWOXNGE-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN Cc1cccc(CNC(=O)C2CCN(c3cc(C)nc4cc(-c5ccccc5)nn43)CC2)c1 ZINC000033275088 557053662 /nfs/dbraw/zinc/05/36/62/557053662.db2.gz MREVZJQWDJBCBF-UHFFFAOYSA-N 0 0 439.563 4.546 50 0 IJAARN COc1ccc(-c2cc(C(=O)N(C)CC3CC3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000048287934 557053665 /nfs/dbraw/zinc/05/36/65/557053665.db2.gz CUECRFYNGGQOJX-UHFFFAOYSA-N 0 0 426.520 4.887 50 0 IJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 ZINC000033275974 557054956 /nfs/dbraw/zinc/05/49/56/557054956.db2.gz ISIXBPLOTWXJCK-UHFFFAOYSA-N 0 0 436.516 4.607 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000022972968 557055330 /nfs/dbraw/zinc/05/53/30/557055330.db2.gz IBABQSKXMFQRCV-UHFFFAOYSA-N 0 0 438.524 4.680 50 0 IJAARN COc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)ccc45)c(=O)c23)cc1 ZINC000022984535 557055791 /nfs/dbraw/zinc/05/57/91/557055791.db2.gz UHVFPZNDMDZXHU-UHFFFAOYSA-N 0 0 430.485 4.597 50 0 IJAARN CCOc1ccccc1NC(=O)N[C@@H](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948741 557057840 /nfs/dbraw/zinc/05/78/40/557057840.db2.gz KZAJQOLYHHBIIP-FQEVSTJZSA-N 0 0 448.519 4.798 50 0 IJAARN CCc1ccc(-c2noc3c2ncn(CCC(=O)Nc2ccc(C)c(Cl)c2)c3=O)cc1 ZINC000033277723 557059516 /nfs/dbraw/zinc/05/95/16/557059516.db2.gz YXTJZSASLJHIMR-UHFFFAOYSA-N 0 0 436.899 4.605 50 0 IJAARN O=C(Nc1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c(C(F)(F)F)c1)c1ccco1 ZINC000048308551 557059622 /nfs/dbraw/zinc/05/96/22/557059622.db2.gz CSGBLIOUURNCRJ-ZDUSSCGKSA-N 0 0 437.418 4.584 50 0 IJAARN Cc1sc2nc(CS[C@@H](C)C(=O)Nc3nc4c(s3)CCCCC4)[nH]c(=O)c2c1C ZINC000048310618 557060576 /nfs/dbraw/zinc/06/05/76/557060576.db2.gz PWQMKFCAJKGHCZ-LBPRGKRZSA-N 0 0 448.639 4.587 50 0 IJAARN Cc1cc(C)cc(NC(=O)NC(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c1 ZINC000032949132 557063807 /nfs/dbraw/zinc/06/38/07/557063807.db2.gz VSRHPVUFPOMFQI-UHFFFAOYSA-N 0 0 446.503 4.736 50 0 IJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023108046 557063854 /nfs/dbraw/zinc/06/38/54/557063854.db2.gz LSADJCUUYBNTQI-QGZVFWFLSA-N 0 0 439.478 4.809 50 0 IJAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCCCc1ccccc1 ZINC000023126769 557065468 /nfs/dbraw/zinc/06/54/68/557065468.db2.gz BTUYXXZEMTUWAP-UHFFFAOYSA-N 0 0 437.952 4.527 50 0 IJAARN CCc1ccc(CNC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1 ZINC000033288239 557065577 /nfs/dbraw/zinc/06/55/77/557065577.db2.gz DIMDSYJSCJZFHV-UHFFFAOYSA-N 0 0 430.552 4.673 50 0 IJAARN COc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1 ZINC000048324929 557065673 /nfs/dbraw/zinc/06/56/73/557065673.db2.gz HROCGIPXUBQLNC-YFGCWATCSA-N 0 0 446.591 4.622 50 0 IJAARN CN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000010882087 557067496 /nfs/dbraw/zinc/06/74/96/557067496.db2.gz WHLFXXTTZNRHDP-UHFFFAOYSA-N 0 0 449.967 4.656 50 0 IJAARN O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[C@H]1c1nccs1 ZINC000023146069 557068201 /nfs/dbraw/zinc/06/82/01/557068201.db2.gz IMCQQKBIVSFNHM-SQJMNOBHSA-N 0 0 433.577 4.632 50 0 IJAARN Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(Br)cc3)c(C)s2)n1 ZINC000033290020 557071782 /nfs/dbraw/zinc/07/17/82/557071782.db2.gz RKUICBIZBBLPFB-UHFFFAOYSA-N 0 0 443.413 4.729 50 0 IJAARN COCCn1ncc2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000048356419 557073261 /nfs/dbraw/zinc/07/32/61/557073261.db2.gz ZQQZKPAQLGMSRO-UHFFFAOYSA-N 0 0 431.336 4.973 50 0 IJAARN C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1nnc(-c2cccs2)o1 ZINC000010886552 557074496 /nfs/dbraw/zinc/07/44/96/557074496.db2.gz MITYAHRHGFRKGI-CYBMUJFWSA-N 0 0 438.484 4.920 50 0 IJAARN COc1ccc(CSc2nccc3c2ccn3CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000033298632 557074534 /nfs/dbraw/zinc/07/45/34/557074534.db2.gz SMVPYAVWSXQONF-UHFFFAOYSA-N 0 0 433.533 4.985 50 0 IJAARN Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Cc4ccccc4)cc3)C2=O)cc1 ZINC000112289246 557077799 /nfs/dbraw/zinc/07/77/99/557077799.db2.gz DCGDIESNJPWHSQ-JOCHJYFZSA-N 0 0 430.529 4.600 50 0 IJAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C(F)(F)F)c2c1=O ZINC000048989612 557083488 /nfs/dbraw/zinc/08/34/88/557083488.db2.gz UEMVZBLWGYKTCG-UHFFFAOYSA-N 0 0 440.425 4.542 50 0 IJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1 ZINC000049005434 557084628 /nfs/dbraw/zinc/08/46/28/557084628.db2.gz HDIQZNOPRKMKLD-UHFFFAOYSA-N 0 0 432.524 4.731 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4cccnc4Cl)cc3)o2)cc1 ZINC000033308314 557088523 /nfs/dbraw/zinc/08/85/23/557088523.db2.gz QPHYNEWMZVRMMB-UHFFFAOYSA-N 0 0 436.855 4.625 50 0 IJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(Cl)nc4)cc3)o2)cc1 ZINC000033308320 557088544 /nfs/dbraw/zinc/08/85/44/557088544.db2.gz IKJFFTCJKQHNKC-UHFFFAOYSA-N 0 0 436.855 4.625 50 0 IJAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000011323410 557088842 /nfs/dbraw/zinc/08/88/42/557088842.db2.gz WGBCPWGUNXBGRR-LBPRGKRZSA-N 0 0 449.349 4.685 50 0 IJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000049030372 557088977 /nfs/dbraw/zinc/08/89/77/557088977.db2.gz JNJZCHXCQHYHEG-GOSISDBHSA-N 0 0 442.943 4.913 50 0 IJAARN Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000023382096 557089200 /nfs/dbraw/zinc/08/92/00/557089200.db2.gz XXXDKYCVPBUHDO-JOCHJYFZSA-N 0 0 428.467 4.601 50 0 IJAARN CCc1ccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2ccncc2)cc1 ZINC000049003500 557091433 /nfs/dbraw/zinc/09/14/33/557091433.db2.gz OWSXNUVVWHYMAC-UHFFFAOYSA-N 0 0 429.549 4.544 50 0 IJAARN CCN(c1ccsc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049004211 557092268 /nfs/dbraw/zinc/09/22/68/557092268.db2.gz SBSJRQZJHZORJC-UHFFFAOYSA-N 0 0 426.991 4.633 50 0 IJAARN O=C(NCCc1cnn(-c2ccccc2)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000097594499 557092345 /nfs/dbraw/zinc/09/23/45/557092345.db2.gz VWISNOFTLLXNAO-UHFFFAOYSA-N 0 0 430.122 4.853 50 0 IJAARN CC[C@@H](C(=O)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000033310349 557093885 /nfs/dbraw/zinc/09/38/85/557093885.db2.gz RSFDHYAVHKVKSA-HSZRJFAPSA-N 0 0 434.580 4.734 50 0 IJAARN CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCc1cccnc1 ZINC000004762613 557094282 /nfs/dbraw/zinc/09/42/82/557094282.db2.gz BBYIYPJGMLDLIZ-BTUURDQESA-N 0 0 445.607 4.620 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)Nc1ccccn1 ZINC000004762637 557094327 /nfs/dbraw/zinc/09/43/27/557094327.db2.gz BMZUARBWAUOUHX-WMHJFFNYSA-N 0 0 431.580 4.943 50 0 IJAARN CCCCCn1c(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000004765118 557096181 /nfs/dbraw/zinc/09/61/81/557096181.db2.gz WLPLCLXSIAVCMY-UHFFFAOYSA-N 0 0 439.556 4.615 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)c(C)c3)c(=O)oc2c1 ZINC000010917173 557099042 /nfs/dbraw/zinc/09/90/42/557099042.db2.gz QFEQIRYUGKJXFQ-UHFFFAOYSA-N 0 0 430.298 4.752 50 0 IJAARN COc1ccc([C@H](CNC(=O)COc2ccccc2OC)c2c[nH]c3ccccc32)cc1 ZINC000023573179 557099482 /nfs/dbraw/zinc/09/94/82/557099482.db2.gz CZHNZQZKQDYSJA-NRFANRHFSA-N 0 0 430.504 4.512 50 0 IJAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)ncn2)n1 ZINC000049404224 557099587 /nfs/dbraw/zinc/09/95/87/557099587.db2.gz WIXQYZRDSLFQNB-UHFFFAOYSA-N 0 0 441.866 4.682 50 0 IJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccccc2F)c(OC)c1 ZINC000023643251 557102630 /nfs/dbraw/zinc/10/26/30/557102630.db2.gz FKUYDZSWPDVGEP-UHFFFAOYSA-N 0 0 445.494 4.668 50 0 IJAARN Cn1c(CCNC(=O)c2cccs2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000033320946 557104789 /nfs/dbraw/zinc/10/47/89/557104789.db2.gz ZEBCSGFEOHJQDS-UHFFFAOYSA-N 0 0 438.940 4.513 50 0 IJAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(-c3cccs3)c(-c3cccs3)s1)CS2 ZINC000023682287 557105955 /nfs/dbraw/zinc/10/59/55/557105955.db2.gz YXPHDTQYUODABZ-WYRIXSBYSA-N 0 0 447.632 4.993 50 0 IJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(OC)cc3)n2)cc1 ZINC000033325207 557107197 /nfs/dbraw/zinc/10/71/97/557107197.db2.gz LKEMTKNLWBZDCY-UHFFFAOYSA-N 0 0 445.475 4.828 50 0 IJAARN COc1ccccc1-c1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 ZINC000017709217 557108708 /nfs/dbraw/zinc/10/87/08/557108708.db2.gz HKHBMXYOTGPRMW-JOCHJYFZSA-N 0 0 444.560 4.865 50 0 IJAARN Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(F)c4)cc3)cn2)cc1 ZINC000049421967 557108953 /nfs/dbraw/zinc/10/89/53/557108953.db2.gz NAGUBZYKMLGMMT-UHFFFAOYSA-N 0 0 428.467 4.884 50 0 IJAARN O=S(=O)(N[C@@H](c1cccs1)C1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000585149432 557109989 /nfs/dbraw/zinc/10/99/89/557109989.db2.gz RSJYWTLGAVQMOS-MRXNPFEDSA-N 0 0 439.908 4.867 50 0 IJAARN COc1ccc2sc(OC3CCN(C(=O)c4cc5cccc(OC)c5o4)CC3)nc2c1 ZINC000049432946 557110218 /nfs/dbraw/zinc/11/02/18/557110218.db2.gz KYSLPMVUYWHYNQ-UHFFFAOYSA-N 0 0 438.505 4.743 50 0 IJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc(=O)c2ccccc2o1 ZINC000023731989 557111682 /nfs/dbraw/zinc/11/16/82/557111682.db2.gz PPTIBDIQHBZUQT-UHFFFAOYSA-N 0 0 435.911 4.580 50 0 IJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C)cc1OCc1ccc(F)cc1 ZINC000049546196 557111661 /nfs/dbraw/zinc/11/16/61/557111661.db2.gz FCUZIDUYWFRQHJ-OAQYLSRUSA-N 0 0 427.501 4.879 50 0 IJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(NC(=O)C(C)(C)C)cc2)N2CCCSC2=N1 ZINC000004781145 557114079 /nfs/dbraw/zinc/11/40/79/557114079.db2.gz WPMRJBABXXBHTG-LJQANCHMSA-N 0 0 429.586 4.746 50 0 IJAARN CC(C)Sc1ccc(CC(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000049523835 557114429 /nfs/dbraw/zinc/11/44/29/557114429.db2.gz WUOGVTDDUJZBFV-UHFFFAOYSA-N 0 0 428.573 4.537 50 0 IJAARN Cc1cc(=O)oc2cc(NC(=O)C3CCN(C(=O)c4cccc5ccccc54)CC3)ccc12 ZINC000049600841 557114750 /nfs/dbraw/zinc/11/47/50/557114750.db2.gz CBZCXONCIZOFFD-UHFFFAOYSA-N 0 0 440.499 4.746 50 0 IJAARN COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccn1 ZINC000049581405 557116625 /nfs/dbraw/zinc/11/66/25/557116625.db2.gz IDZMASRSRAEOJM-LTGZKZEYSA-N 0 0 449.466 4.754 50 0 IJAARN O=C1C[C@@H](Sc2ccc(NC(=S)Nc3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000113562089 557117356 /nfs/dbraw/zinc/11/73/56/557117356.db2.gz UOZQNTQNXLLNHJ-HXUWFJFHSA-N 0 0 433.558 4.920 50 0 IJAARN CCOC(=O)c1c2cc(OCC(=O)OC)c(Br)cc2oc1-c1ccccc1 ZINC000000623904 557121666 /nfs/dbraw/zinc/12/16/66/557121666.db2.gz GGXUOSZSORBLJA-UHFFFAOYSA-N 0 0 433.254 4.591 50 0 IJAARN CSCC[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2s1 ZINC000023935476 557126250 /nfs/dbraw/zinc/12/62/50/557126250.db2.gz LBAPTWGXEMHSBE-QAPCUYQASA-N 0 0 443.619 4.710 50 0 IJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004799794 557127140 /nfs/dbraw/zinc/12/71/40/557127140.db2.gz OGXYKPJGBJFMKG-RDGATRHJSA-N 0 0 448.494 4.884 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017886754 557127348 /nfs/dbraw/zinc/12/73/48/557127348.db2.gz KGRDTHKAUXVLSN-GVAUOCQISA-N 0 0 442.515 4.917 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c(C)n1CC(F)(F)F ZINC000011371923 557128326 /nfs/dbraw/zinc/12/83/26/557128326.db2.gz QGSQZPIAIXEUTO-UHFFFAOYSA-N 0 0 441.523 4.559 50 0 IJAARN O=c1[nH]c(CSc2nnc(-c3ccco3)n2Cc2ccccc2)nc2cc(Cl)ccc12 ZINC000023982994 557129447 /nfs/dbraw/zinc/12/94/47/557129447.db2.gz NOZHHLUMPJHMSN-UHFFFAOYSA-N 0 0 449.923 4.769 50 0 IJAARN COC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)sc1NC(=O)c1ccccc1F ZINC000000676516 557133995 /nfs/dbraw/zinc/13/39/95/557133995.db2.gz SYGOAIZYEYCDPI-UHFFFAOYSA-N 0 0 430.432 4.626 50 0 IJAARN O=C(Nc1ccc(I)cc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000002846373 557134115 /nfs/dbraw/zinc/13/41/15/557134115.db2.gz WCURIUSRYUPIHA-UHFFFAOYSA-N 0 0 447.528 4.892 50 0 IJAARN O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000024757474 557134350 /nfs/dbraw/zinc/13/43/50/557134350.db2.gz HQKZAXFRQNDIMQ-HNNXBMFYSA-N 0 0 447.343 4.872 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)Cc1ccccc1 ZINC000002982998 557134783 /nfs/dbraw/zinc/13/47/83/557134783.db2.gz UUPIFJZSLDRLQG-PXLXIMEGSA-N 0 0 441.483 4.886 50 0 IJAARN Cc1nc(SCc2nnc(-c3ccc(Br)cc3)o2)n(C[C@H]2CCCO2)c1C ZINC000024513421 557149739 /nfs/dbraw/zinc/14/97/39/557149739.db2.gz OMEDRCRMCBXMHE-MRXNPFEDSA-N 0 0 449.374 4.784 50 0 IJAARN COCCn1c2ccccc2nc1SCc1nc(-c2cccc(Br)c2)no1 ZINC000011490300 557153037 /nfs/dbraw/zinc/15/30/37/557153037.db2.gz JDMANBRJVAEEIF-UHFFFAOYSA-N 0 0 445.342 4.788 50 0 IJAARN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000024608539 557153883 /nfs/dbraw/zinc/15/38/83/557153883.db2.gz OVMADEMMIVBOPL-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000024608879 557154247 /nfs/dbraw/zinc/15/42/47/557154247.db2.gz SCEMMPUEUUOFGK-UHFFFAOYSA-N 0 0 428.598 4.607 50 0 IJAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000024610625 557154762 /nfs/dbraw/zinc/15/47/62/557154762.db2.gz OULLUPHYMSOGIO-UHFFFAOYSA-N 0 0 434.989 4.644 50 0 IJAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000024611274 557155154 /nfs/dbraw/zinc/15/51/54/557155154.db2.gz HGPPVOTUNZDVPQ-UHFFFAOYSA-N 0 0 448.588 4.843 50 0 IJAARN COc1ccc2c(c1)CC[C@@H]1C2=NN(c2nc(-c3ccccc3)cs2)[C@@]1(O)C(F)(F)F ZINC000016957587 557159201 /nfs/dbraw/zinc/15/92/01/557159201.db2.gz WHSPSQBXFFKVHF-UTKZUKDTSA-N 0 0 445.466 4.856 50 0 IJAARN O=C(CNC(=O)c1ccccc1F)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000011521537 557159209 /nfs/dbraw/zinc/15/92/09/557159209.db2.gz NORYZEJNVAHLBF-UHFFFAOYSA-N 0 0 438.311 4.548 50 0 IJAARN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2csc(C)n2)cc1 ZINC000024752713 557162596 /nfs/dbraw/zinc/16/25/96/557162596.db2.gz XQQSAGWGMONOLS-AWEZNQCLSA-N 0 0 442.562 4.936 50 0 IJAARN COc1cc(OC)c(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1Cl ZINC000024758300 557163652 /nfs/dbraw/zinc/16/36/52/557163652.db2.gz VCWMNXUAKYKFJT-UHFFFAOYSA-N 0 0 434.901 4.750 50 0 IJAARN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F)c1ccccc1 ZINC000000751841 557168181 /nfs/dbraw/zinc/16/81/81/557168181.db2.gz BWEOYLVIUUWACN-QGZVFWFLSA-N 0 0 428.467 4.755 50 0 IJAARN COc1ccccc1CN(Cc1cccs1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024816776 557168690 /nfs/dbraw/zinc/16/86/90/557168690.db2.gz UYEWXXHXXUJWFT-UHFFFAOYSA-N 0 0 431.517 4.942 50 0 IJAARN COc1ccccc1CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1cccs1 ZINC000024816732 557168792 /nfs/dbraw/zinc/16/87/92/557168792.db2.gz KIZGPOVSDSXNFL-GOSISDBHSA-N 0 0 449.576 4.523 50 0 IJAARN Brc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000000759227 557171013 /nfs/dbraw/zinc/17/10/13/557171013.db2.gz VRBAFKMVMCRHMZ-INIZCTEOSA-N 0 0 432.119 4.917 50 0 IJAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(Oc3ccccc3Cl)cc1)C2=O ZINC000024837264 557172313 /nfs/dbraw/zinc/17/23/13/557172313.db2.gz FZEULLLVYVBRJW-WNSKOXEYSA-N 0 0 441.915 4.572 50 0 IJAARN COC(=O)c1ccc(CN(c2cccc3cccnc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022023140 557172824 /nfs/dbraw/zinc/17/28/24/557172824.db2.gz DNOJUGYHOPJPMY-UHFFFAOYSA-N 0 0 446.528 4.725 50 0 IJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000024871676 557173618 /nfs/dbraw/zinc/17/36/18/557173618.db2.gz ACSSMMXISKTLNF-QGZVFWFLSA-N 0 0 444.988 4.947 50 0 IJAARN C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000024850627 557174243 /nfs/dbraw/zinc/17/42/43/557174243.db2.gz AJGGIFIFXREVTI-KRWDZBQOSA-N 0 0 442.544 4.758 50 0 IJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000010964370 557174542 /nfs/dbraw/zinc/17/45/42/557174542.db2.gz QSULVPQARLGYOC-NRFANRHFSA-N 0 0 426.513 4.905 50 0 IJAARN COc1ccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3)n2)cc1 ZINC000096210096 557182961 /nfs/dbraw/zinc/18/29/61/557182961.db2.gz HVOWLQXXXGIEHQ-IBGZPJMESA-N 0 0 439.899 4.507 50 0 IJAARN CC(C)CC(=O)Nc1ccccc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000024976991 557184935 /nfs/dbraw/zinc/18/49/35/557184935.db2.gz KYLMLPHZCAXFOB-UHFFFAOYSA-N 0 0 447.501 4.648 50 0 IJAARN Cc1c(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)ccc2ccccc21 ZINC000009306064 557186056 /nfs/dbraw/zinc/18/60/56/557186056.db2.gz LWXOGXXCGWYJQW-GOSISDBHSA-N 0 0 446.576 4.825 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000024988046 557186776 /nfs/dbraw/zinc/18/67/76/557186776.db2.gz WUUQUWBHWVDYNV-UHFFFAOYSA-N 0 0 431.565 4.994 50 0 IJAARN CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009328969 557187210 /nfs/dbraw/zinc/18/72/10/557187210.db2.gz MOEJNFQGPFFNGC-UHFFFAOYSA-N 0 0 446.935 4.637 50 0 IJAARN O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000024989335 557187364 /nfs/dbraw/zinc/18/73/64/557187364.db2.gz GJWNZHCJSYEVBX-XZOQPEGZSA-N 0 0 443.591 4.611 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000024993427 557188336 /nfs/dbraw/zinc/18/83/36/557188336.db2.gz LWKRWEFCCWHBBX-UHFFFAOYSA-N 0 0 427.479 4.789 50 0 IJAARN COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCOCC2)cc1OC ZINC000098003014 557189139 /nfs/dbraw/zinc/18/91/39/557189139.db2.gz PUSSOYRINYRLSO-MNDPQUGUSA-N 0 0 444.531 4.601 50 0 IJAARN COc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1F ZINC000025045942 557190469 /nfs/dbraw/zinc/19/04/69/557190469.db2.gz UZLAXPRGVYEGFM-UHFFFAOYSA-N 0 0 430.486 4.641 50 0 IJAARN Cc1nn(CCC(=O)N[C@@H](C)c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000025049164 557190996 /nfs/dbraw/zinc/19/09/96/557190996.db2.gz BTRZGNKOTAIJTH-PMACEKPBSA-N 0 0 446.595 4.577 50 0 IJAARN Cc1occc1-c1nnc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)n1C ZINC000025065327 557193936 /nfs/dbraw/zinc/19/39/36/557193936.db2.gz WWYPWGYLQLPTAF-UHFFFAOYSA-N 0 0 439.566 4.622 50 0 IJAARN O=C(c1cccs1)N1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000025269634 557202140 /nfs/dbraw/zinc/20/21/40/557202140.db2.gz ZEFCBUAEOGYSPH-UHFFFAOYSA-N 0 0 446.528 4.672 50 0 IJAARN Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000011571738 557202572 /nfs/dbraw/zinc/20/25/72/557202572.db2.gz FNDZPKGDANUGIS-RUZDIDTESA-N 0 0 427.548 4.575 50 0 IJAARN CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc(C=CC(=O)OC)cc1OC ZINC000025560891 557214792 /nfs/dbraw/zinc/21/47/92/557214792.db2.gz YYQBZMGYIRJMOE-UKTHLTGXSA-N 0 0 442.508 4.590 50 0 IJAARN O=C(COCc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023316993 557215357 /nfs/dbraw/zinc/21/53/57/557215357.db2.gz MCJBGUFNUOJXAK-SANMLTNESA-N 0 0 434.967 4.790 50 0 IJAARN COc1ccc(C2=NN3COc4c(Br)cc(Br)cc4[C@@H]3C2)cc1 ZINC000025586525 557217603 /nfs/dbraw/zinc/21/76/03/557217603.db2.gz VJDYAUDZDBURPT-INIZCTEOSA-N 0 0 438.119 4.721 50 0 IJAARN O=C(Nc1ccccc1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1cccs1 ZINC000025613252 557219417 /nfs/dbraw/zinc/21/94/17/557219417.db2.gz VWZYWJVFZRTFHQ-UHFFFAOYSA-N 0 0 428.517 4.806 50 0 IJAARN C[C@@H]1CN(Cn2nc(-c3cc(-c4ccccn4)nc4ccccc43)oc2=S)C[C@@H](C)O1 ZINC000025778195 557225424 /nfs/dbraw/zinc/22/54/24/557225424.db2.gz PIZLIVGAKPADGT-HZPDHXFCSA-N 0 0 433.537 4.549 50 0 IJAARN COc1ccc2c(c1)C1=C([C@@H](c3ccc(F)cc3)N3NC=NC3=N1)[C@H](c1ccc(C)cc1)O2 ZINC000025783850 557226508 /nfs/dbraw/zinc/22/65/08/557226508.db2.gz ZYXIFFHDPZZVEO-RPBOFIJWSA-N 0 0 440.478 4.947 50 0 IJAARN CNC(=O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccc(C)cc1 ZINC000000805429 557227583 /nfs/dbraw/zinc/22/75/83/557227583.db2.gz UELAEQMCJVIIEM-CPNJWEJPSA-N 0 0 439.309 4.534 50 0 IJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000011444431 557229134 /nfs/dbraw/zinc/22/91/34/557229134.db2.gz CXWKEKXLTODDOQ-UHFFFAOYSA-N 0 0 428.847 4.727 50 0 IJAARN Cc1cc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(C)s1 ZINC000018040430 557234358 /nfs/dbraw/zinc/23/43/58/557234358.db2.gz WYRKAGXYHJWBBD-UHFFFAOYSA-N 0 0 427.353 4.732 50 0 IJAARN COc1cc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc(OC)c1 ZINC000032950208 557234503 /nfs/dbraw/zinc/23/45/03/557234503.db2.gz KWSDHVFZFHZTRH-UHFFFAOYSA-N 0 0 437.544 4.516 50 0 IJAARN Cn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000026120970 557235204 /nfs/dbraw/zinc/23/52/04/557235204.db2.gz SSQJNPMOUDAJEM-UHFFFAOYSA-N 0 0 434.584 4.874 50 0 IJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 ZINC000018081799 557235620 /nfs/dbraw/zinc/23/56/20/557235620.db2.gz QTIUOOHOWOBOTE-UHFFFAOYSA-N 0 0 427.913 4.851 50 0 IJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000018082154 557235707 /nfs/dbraw/zinc/23/57/07/557235707.db2.gz XRXFZVPXHUNOMV-UHFFFAOYSA-N 0 0 431.920 4.776 50 0 IJAARN CCc1nc2sc(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)c(C)c2c(C)n1 ZINC000026363309 557239791 /nfs/dbraw/zinc/23/97/91/557239791.db2.gz IMIWITBERKLQPU-INIZCTEOSA-N 0 0 425.554 4.865 50 0 IJAARN Cc1ccc([C@@H]2c3c(O)n(-c4c(C)cc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000018141585 557242937 /nfs/dbraw/zinc/24/29/37/557242937.db2.gz PRWRJGNDJHHWEO-CAOCKLPOSA-N 0 0 426.516 4.971 50 0 IJAARN CCOC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)CC1 ZINC000026533425 557243434 /nfs/dbraw/zinc/24/34/34/557243434.db2.gz UXTGAOCVAXRGDS-UHFFFAOYSA-N 0 0 445.498 4.505 50 0 IJAARN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018152332 557243866 /nfs/dbraw/zinc/24/38/66/557243866.db2.gz WETDZGATNOLJMJ-VSKRKVRLSA-N 0 0 434.492 4.599 50 0 IJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000018156165 557244117 /nfs/dbraw/zinc/24/41/17/557244117.db2.gz DRJKRQWFUCWVNB-UHFFFAOYSA-N 0 0 428.897 4.655 50 0 IJAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Br ZINC000024933595 557244271 /nfs/dbraw/zinc/24/42/71/557244271.db2.gz KGDNUZJQMYHKIO-LJQANCHMSA-N 0 0 428.305 4.640 50 0 IJAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 ZINC000018169997 557245135 /nfs/dbraw/zinc/24/51/35/557245135.db2.gz PGUMYCQRYGOVOB-UHFFFAOYSA-N 0 0 449.113 4.807 50 0 IJAARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000018191190 557246373 /nfs/dbraw/zinc/24/63/73/557246373.db2.gz WECRTHNNCLDGCZ-UHFFFAOYSA-N 0 0 434.348 4.707 50 0 IJAARN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000026892297 557250053 /nfs/dbraw/zinc/25/00/53/557250053.db2.gz ONEVHQLPFXYNHN-OAHLLOKOSA-N 0 0 439.972 4.879 50 0 IJAARN Cc1cccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000027019662 557254612 /nfs/dbraw/zinc/25/46/12/557254612.db2.gz CPKLRXUXHUSFON-HSZRJFAPSA-N 0 0 427.504 4.608 50 0 IJAARN COc1ccc2c(C)c(CCC(=O)N3CCC(c4nc5ccccc5o4)CC3)c(=O)oc2c1 ZINC000027091618 557257017 /nfs/dbraw/zinc/25/70/17/557257017.db2.gz KQRSTCIPODEZJU-UHFFFAOYSA-N 0 0 446.503 4.590 50 0 IJAARN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101185156 557262612 /nfs/dbraw/zinc/26/26/12/557262612.db2.gz YHWRGPPHBFCXQM-ZLNRFVROSA-N 0 0 448.906 4.790 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)N(Cc1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000027662857 557269215 /nfs/dbraw/zinc/26/92/15/557269215.db2.gz UJHWKQUIPJTHGZ-FQEVSTJZSA-N 0 0 428.941 4.714 50 0 IJAARN Cc1cccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)o2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000027664032 557269907 /nfs/dbraw/zinc/26/99/07/557269907.db2.gz VINFTMZETCBTOR-HXUWFJFHSA-N 0 0 443.952 4.738 50 0 IJAARN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000000827140 557270715 /nfs/dbraw/zinc/27/07/15/557270715.db2.gz XLKMQCWQDDQCJM-WONIAPNHSA-N 0 0 428.579 4.576 50 0 IJAARN Cc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(I)cc1)=N2 ZINC000100716852 557271067 /nfs/dbraw/zinc/27/10/67/557271067.db2.gz JJPVKLOYBZUDFZ-KRWDZBQOSA-N 0 0 448.695 4.901 50 0 IJAARN O=C(Cc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000027795077 557274817 /nfs/dbraw/zinc/27/48/17/557274817.db2.gz ALELPVGLCMSGJX-UHFFFAOYSA-N 0 0 439.968 4.787 50 0 IJAARN Clc1ccc([C@H]2CC(c3ccc(I)cc3)=Nc3ncnn32)cc1 ZINC000101061524 557282015 /nfs/dbraw/zinc/28/20/15/557282015.db2.gz VJKUGZZIVDTDDC-MRXNPFEDSA-N 0 0 434.668 4.592 50 0 IJAARN COc1cc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc(Cl)c1OC ZINC000013096158 557282106 /nfs/dbraw/zinc/28/21/06/557282106.db2.gz VSQDQALTNVZMTI-HKUPYCBJSA-N 0 0 445.943 4.914 50 0 IJAARN CC[C@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c3ccccc3)N12 ZINC000101386798 557282116 /nfs/dbraw/zinc/28/21/16/557282116.db2.gz LDOVZKFQUZWGCY-BTYIYWSLSA-N 0 0 441.597 4.908 50 0 IJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccc(Cl)cc1 ZINC000011665536 557284138 /nfs/dbraw/zinc/28/41/38/557284138.db2.gz FKZVDHKRAWNKPK-UHFFFAOYSA-N 0 0 426.867 4.759 50 0 IJAARN COc1cccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccs5)n4n3)c2)c1 ZINC000011665509 557284146 /nfs/dbraw/zinc/28/41/46/557284146.db2.gz LMLCSYIWDRXXAR-UHFFFAOYSA-N 0 0 427.489 4.781 50 0 IJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1ccc2ccccc2n1 ZINC000011665540 557284206 /nfs/dbraw/zinc/28/42/06/557284206.db2.gz QFKXSPRTXJLDDE-UHFFFAOYSA-N 0 0 443.470 4.654 50 0 IJAARN COC(=O)c1c(C)[nH]c(-c2ccc(Br)cc2)c1[C@@H]1C(=O)Nc2ccccc21 ZINC000101637845 557291910 /nfs/dbraw/zinc/29/19/10/557291910.db2.gz SETXQVPJIYAGLK-QGZVFWFLSA-N 0 0 425.282 4.623 50 0 IJAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(Cl)cc1 ZINC000101579872 557294132 /nfs/dbraw/zinc/29/41/32/557294132.db2.gz GNXCGDUKDLVPMZ-OAHLLOKOSA-N 0 0 443.739 4.651 50 0 IJAARN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)C(=O)[C@@H]2C1 ZINC000102519477 557303313 /nfs/dbraw/zinc/30/33/13/557303313.db2.gz DCHFIUKDCSASNW-DLBZAZTESA-N 0 0 428.410 4.803 50 0 IJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Br)cc4)c3)C(=O)[C@H]2C1 ZINC000102644489 557304561 /nfs/dbraw/zinc/30/45/61/557304561.db2.gz FCVOJQGHGGDHIQ-VMDGZTHMSA-N 0 0 442.309 4.594 50 0 IJAARN CCc1cccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)c1 ZINC000101880874 557305105 /nfs/dbraw/zinc/30/51/05/557305105.db2.gz VAEHVSJRXDBOQB-UHFFFAOYSA-N 0 0 432.911 4.794 50 0 IJAARN COc1ccc(C)cc1NC(=O)CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O ZINC000101880979 557305118 /nfs/dbraw/zinc/30/51/18/557305118.db2.gz XMXLAXCJKCDLDS-UHFFFAOYSA-N 0 0 448.910 4.548 50 0 IJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccc(F)cc3)CC2=O)cc1Cl ZINC000101881253 557305167 /nfs/dbraw/zinc/30/51/67/557305167.db2.gz JYOFXPWTGMDUGN-UHFFFAOYSA-N 0 0 436.874 4.679 50 0 IJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(Cl)c3)C(=O)C2)cc1 ZINC000101881366 557305416 /nfs/dbraw/zinc/30/54/16/557305416.db2.gz BQVBIBTVRSYUTH-UHFFFAOYSA-N 0 0 432.911 4.848 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101946177 557308134 /nfs/dbraw/zinc/30/81/34/557308134.db2.gz PPEFEONLAIKLAG-INIZCTEOSA-N 0 0 425.916 4.823 50 0 IJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000014171483 557313443 /nfs/dbraw/zinc/31/34/43/557313443.db2.gz IUMIRYHCMUZHTH-UHFFFAOYSA-N 0 0 427.460 4.588 50 0 IJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)cc12 ZINC000032754717 557315359 /nfs/dbraw/zinc/31/53/59/557315359.db2.gz YLWAKLGIOBHQHU-UHFFFAOYSA-N 0 0 427.439 4.990 50 0 IJAARN Cc1cc(C)c(NC(=O)CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)c(C)c1 ZINC000023658062 557316548 /nfs/dbraw/zinc/31/65/48/557316548.db2.gz FRNOZBWNYJHLGN-ACCUITESSA-N 0 0 438.549 4.646 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014200101 557317052 /nfs/dbraw/zinc/31/70/52/557317052.db2.gz MKYFEUIONQVVAF-UHFFFAOYSA-N 0 0 446.528 4.606 50 0 IJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014200660 557317373 /nfs/dbraw/zinc/31/73/73/557317373.db2.gz XRNIPAMANSUZAK-UHFFFAOYSA-N 0 0 448.500 4.803 50 0 IJAARN Cc1ccccc1Nc1nnc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)s1 ZINC000102320966 557319044 /nfs/dbraw/zinc/31/90/44/557319044.db2.gz TZYLHTGAWUCQPW-OAHLLOKOSA-N 0 0 430.942 4.668 50 0 IJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccccc3c(-n3cccc3)c2C(=O)N1C1CCCC1 ZINC000033249543 557327286 /nfs/dbraw/zinc/32/72/86/557327286.db2.gz YPFUJVUQTUDSIC-MHZLTWQESA-N 0 0 444.579 4.648 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3c2)c1 ZINC000033284289 557332045 /nfs/dbraw/zinc/33/20/45/557332045.db2.gz VKOMSJRTKDHVLP-UHFFFAOYSA-N 0 0 445.548 4.638 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1Cl ZINC000033326683 557333261 /nfs/dbraw/zinc/33/32/61/557333261.db2.gz QLKJTEQJJMSWCV-UHFFFAOYSA-N 0 0 426.908 4.901 50 0 IJAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(C)cc3)CC2=O)cc1 ZINC000102529558 557340465 /nfs/dbraw/zinc/34/04/65/557340465.db2.gz WPEPTTQMCMACEO-UHFFFAOYSA-N 0 0 425.488 4.694 50 0 IJAARN COc1ccc(Br)c(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000014582472 557343314 /nfs/dbraw/zinc/34/33/14/557343314.db2.gz HKZFOUOJRMBMCO-UHFFFAOYSA-N 0 0 436.356 4.854 50 0 IJAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)c(C)c1Cc1ccccc1 ZINC000014609265 557344826 /nfs/dbraw/zinc/34/48/26/557344826.db2.gz QZYATRBSLCSTAQ-UHFFFAOYSA-N 0 0 445.592 4.784 50 0 IJAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000085385003 557345742 /nfs/dbraw/zinc/34/57/42/557345742.db2.gz FTTZUUBVEZCVJD-IBGZPJMESA-N 0 0 432.568 4.501 50 0 IJAARN CCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)n[nH]3)cc2)CC1 ZINC000023332961 557346624 /nfs/dbraw/zinc/34/66/24/557346624.db2.gz BZNMCNOWPSGTEK-UHFFFAOYSA-N 0 0 443.595 4.512 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102578255 557355244 /nfs/dbraw/zinc/35/52/44/557355244.db2.gz MMCGQINPRCRJKX-SFHVURJKSA-N 0 0 444.557 4.724 50 0 IJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3sccc3C)CC2)n1 ZINC000023429815 557355201 /nfs/dbraw/zinc/35/52/01/557355201.db2.gz NPIOQNFOTHNCFE-UHFFFAOYSA-N 0 0 441.528 4.713 50 0 IJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2I)cc1 ZINC000023432138 557355507 /nfs/dbraw/zinc/35/55/07/557355507.db2.gz IJGFHQGELITCRN-UHFFFAOYSA-N 0 0 438.268 4.966 50 0 IJAARN CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000023460649 557360642 /nfs/dbraw/zinc/36/06/42/557360642.db2.gz YTNZJUBNYGBBCF-UHFFFAOYSA-N 0 0 425.488 4.761 50 0 IJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n(-c2ccccn2)n1 ZINC000023461777 557360855 /nfs/dbraw/zinc/36/08/55/557360855.db2.gz XYPHEIPLFNQMJO-UHFFFAOYSA-N 0 0 430.439 4.502 50 0 IJAARN CCSc1nc2n(n1)[C@@H](c1cc(OC)c(OC)cc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102660397 557361938 /nfs/dbraw/zinc/36/19/38/557361938.db2.gz OCSAFFWSKCVDMV-IBGZPJMESA-N 0 0 444.557 4.724 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000023513154 557364577 /nfs/dbraw/zinc/36/45/77/557364577.db2.gz MXQFIEXCXKAHMI-UHFFFAOYSA-N 0 0 426.497 4.862 50 0 IJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000220790211 557366623 /nfs/dbraw/zinc/36/66/23/557366623.db2.gz KOCRFNWGNNQWNU-SFHVURJKSA-N 0 0 427.508 4.530 50 0 IJAARN CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102739953 557380536 /nfs/dbraw/zinc/38/05/36/557380536.db2.gz SMQPALBQOAGWGP-KMDXXIMOSA-N 0 0 428.488 4.527 50 0 IJAARN COc1ccc(OC)c([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000102753345 557383484 /nfs/dbraw/zinc/38/34/84/557383484.db2.gz UOKCEFADCNHZRQ-LRTDBIEQSA-N 0 0 436.443 4.855 50 0 IJAARN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000023968590 557389646 /nfs/dbraw/zinc/38/96/46/557389646.db2.gz IUKIWEZWIACVNX-HHHXNRCGSA-N 0 0 439.559 4.714 50 0 IJAARN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000013937868 557397142 /nfs/dbraw/zinc/39/71/42/557397142.db2.gz GQKSOBCFNRKMBK-UHFFFAOYSA-N 0 0 429.338 4.542 50 0 IJAARN Cc1cc(C)n(-c2nc3cc(C)ccc3nc2N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000004885551 557400820 /nfs/dbraw/zinc/40/08/20/557400820.db2.gz HEVPMGSRJPVSSJ-UHFFFAOYSA-N 0 0 426.568 4.684 50 0 IJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Nc2ccccc2)cc1C ZINC000033530425 557408226 /nfs/dbraw/zinc/40/82/26/557408226.db2.gz MIDKWJJYSHSYSS-UHFFFAOYSA-N 0 0 430.533 4.619 50 0 IJAARN CC[C@H](CCNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004927422 557409106 /nfs/dbraw/zinc/40/91/06/557409106.db2.gz SUKFVSRXNOIQTN-YOYOBLSYSA-N 0 0 426.645 4.820 50 0 IJAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccc3ccccc3c2)cc1 ZINC000102898567 557411382 /nfs/dbraw/zinc/41/13/82/557411382.db2.gz FSCPIIFZKWTHSB-CUBQBAPOSA-N 0 0 448.478 4.929 50 0 IJAARN O=C(NCc1ccccc1)N1CCCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000103293423 557433466 /nfs/dbraw/zinc/43/34/66/557433466.db2.gz MLSHWWOBBUUMQI-UHFFFAOYSA-N 0 0 426.520 4.788 50 0 IJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(Br)c(Br)s1 ZINC000015176554 557459590 /nfs/dbraw/zinc/45/95/90/557459590.db2.gz VRAQMUMYVWATED-UHFFFAOYSA-N 0 0 444.148 4.652 50 0 IJAARN COc1cc(Cl)ccc1C(=O)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000051315302 557463347 /nfs/dbraw/zinc/46/33/47/557463347.db2.gz SWFKJRDCMBDJAK-UHFFFAOYSA-N 0 0 428.750 4.654 50 0 IJAARN COc1ccc(CCNc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)nn2)cc1OC ZINC000046913657 557513343 /nfs/dbraw/zinc/51/33/43/557513343.db2.gz FNFNZEHKUCDLDY-UHFFFAOYSA-N 0 0 437.887 4.519 50 0 IJAARN CSc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(N)c1-c1nc(-c2ccccc2)no1 ZINC000046913991 557513517 /nfs/dbraw/zinc/51/35/17/557513517.db2.gz BILFJNKTMSYGRG-UHFFFAOYSA-N 0 0 448.552 4.666 50 0 IJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000046914283 557513772 /nfs/dbraw/zinc/51/37/72/557513772.db2.gz FRWADOFCWDUPEX-ZDUSSCGKSA-N 0 0 442.899 4.923 50 0 IJAARN CCOc1ccc(C(=O)NCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1OCC ZINC000046916297 557514063 /nfs/dbraw/zinc/51/40/63/557514063.db2.gz ZQQDLQUUZBARQQ-UHFFFAOYSA-N 0 0 444.535 4.515 50 0 IJAARN COc1cccc([C@H](CC(=O)Nc2nc3ccccc3s2)NC(=O)c2ccccc2)c1 ZINC000002751133 557521841 /nfs/dbraw/zinc/52/18/41/557521841.db2.gz NLEYXIJKUJONNK-FQEVSTJZSA-N 0 0 431.517 4.805 50 0 IJAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012051305 557525401 /nfs/dbraw/zinc/52/54/01/557525401.db2.gz OQPXMTZYGLZRLX-DEOSSOPVSA-N 0 0 438.531 4.902 50 0 IJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000106866100 557532757 /nfs/dbraw/zinc/53/27/57/557532757.db2.gz LQAVQFOHVRVYFG-USXIJHARSA-N 0 0 449.414 4.814 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)n2)c1 ZINC000045684307 557545042 /nfs/dbraw/zinc/54/50/42/557545042.db2.gz GZEYCMJSHDYNOL-UHFFFAOYSA-N 0 0 446.532 4.754 50 0 IJAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1 ZINC000045921767 557547563 /nfs/dbraw/zinc/54/75/63/557547563.db2.gz PUHSNDIIODIDEU-UHFFFAOYSA-N 0 0 444.535 4.597 50 0 IJAARN COc1ccc(OC)c(CNc2nc3ccccc3nc2C(=O)OCc2ccccc2)c1 ZINC000045960963 557555086 /nfs/dbraw/zinc/55/50/86/557555086.db2.gz CFZXOTJCHAITQI-UHFFFAOYSA-N 0 0 429.476 4.616 50 0 IJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225506044 557731697 /nfs/dbraw/zinc/73/16/97/557731697.db2.gz GZSFYWJFSMIIIM-QHCPKHFHSA-N 0 0 448.935 4.823 50 0 IJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000225716039 557767792 /nfs/dbraw/zinc/76/77/92/557767792.db2.gz XBTPPIGTOYUIHT-HSZRJFAPSA-N 0 0 425.488 4.546 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000226909635 557811000 /nfs/dbraw/zinc/81/10/00/557811000.db2.gz JLBMDPCAVYQBTR-UBFVSLLYSA-N 0 0 437.499 4.836 50 0 IJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=N3)cc1 ZINC000000843531 557811343 /nfs/dbraw/zinc/81/13/43/557811343.db2.gz VZADEPCNSULOFT-DQEYMECFSA-N 0 0 438.487 4.508 50 0 IJAARN C[C@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl ZINC000018524617 557829026 /nfs/dbraw/zinc/82/90/26/557829026.db2.gz DCLMCRLOFOHOPD-ZDUSSCGKSA-N 0 0 428.897 4.838 50 0 IJAARN C[C@@H](OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl ZINC000018524615 557829114 /nfs/dbraw/zinc/82/91/14/557829114.db2.gz DCLMCRLOFOHOPD-CYBMUJFWSA-N 0 0 428.897 4.838 50 0 IJAARN COc1ccc(CN(CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000000856838 557831454 /nfs/dbraw/zinc/83/14/54/557831454.db2.gz PEKCMKQLYHFDRC-AREMUKBSSA-N 0 0 425.569 4.969 50 0 biogenic IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCC[C@@H](C)C1 ZINC000229811816 557833292 /nfs/dbraw/zinc/83/32/92/557833292.db2.gz IZMPDZQEDANOIS-KNOQFWTLSA-N 0 0 447.579 4.744 50 0 IJAARN CCOC(=O)c1ccnc(-c2ccccc2)c1NC(=O)CCc1nc(-c2cccs2)no1 ZINC000240465932 557845518 /nfs/dbraw/zinc/84/55/18/557845518.db2.gz GBMUFCLZXMSWRX-UHFFFAOYSA-N 0 0 448.504 4.608 50 0 IJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000000877801 557848621 /nfs/dbraw/zinc/84/86/21/557848621.db2.gz MSIGNCXGDVDXHD-UHFFFAOYSA-N 0 0 430.533 4.886 50 0 IJAARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCCCCC3)n2)cc1 ZINC000000890681 557859113 /nfs/dbraw/zinc/85/91/13/557859113.db2.gz MDDPICNPXVXNGS-UHFFFAOYSA-N 0 0 425.476 4.666 50 0 IJAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000018892475 557862696 /nfs/dbraw/zinc/86/26/96/557862696.db2.gz RMMKEDFNUBGBSO-QGZVFWFLSA-N 0 0 437.005 4.811 50 0 IJAARN COc1ccccc1-c1nn(CN(C)Cc2ccc(Br)s2)c(=S)o1 ZINC000018898642 557862739 /nfs/dbraw/zinc/86/27/39/557862739.db2.gz JMDIAEHBQSKVLC-UHFFFAOYSA-N 0 0 426.361 4.795 50 0 IJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(Br)cc1 ZINC000000910850 562919594 /nfs/dbraw/zinc/91/95/94/562919594.db2.gz VKMKEGZFNXBAMR-UHFFFAOYSA-N 0 0 438.277 4.704 50 0 IJAARN CCn1nc(C)c(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1C ZINC000000918052 562919619 /nfs/dbraw/zinc/91/96/19/562919619.db2.gz SHWVJGJPXKLUTO-UHFFFAOYSA-N 0 0 439.463 4.710 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001508259 562922379 /nfs/dbraw/zinc/92/23/79/562922379.db2.gz HUUJWLBYCJDAPB-UHFFFAOYSA-N 0 0 445.338 4.811 50 0 IJAARN O=C(c1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 ZINC000002456560 562927877 /nfs/dbraw/zinc/92/78/77/562927877.db2.gz AKIILAMHSHFHBU-OAQYLSRUSA-N 0 0 439.284 4.772 50 0 IJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)Nc3cccc(F)c3)c2oc1-c1ccccc1 ZINC000002656548 562929482 /nfs/dbraw/zinc/92/94/82/562929482.db2.gz LKULNWRRIAYPPF-UHFFFAOYSA-N 0 0 431.419 4.703 50 0 IJAARN O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)Nc1ccccc1F ZINC000002720624 562929947 /nfs/dbraw/zinc/92/99/47/562929947.db2.gz MIFVXQPNBOEGAU-UHFFFAOYSA-N 0 0 444.491 4.737 50 0 IJAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C)cc2)cc1 ZINC000003006415 562931591 /nfs/dbraw/zinc/93/15/91/562931591.db2.gz GFKIGUZSGGHTKS-XMMPIXPASA-N 0 0 447.531 4.839 50 0 IJAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(Br)cc1 ZINC000003300828 562933880 /nfs/dbraw/zinc/93/38/80/562933880.db2.gz IKZUKRUCDIICEC-UHFFFAOYSA-N 0 0 440.293 4.715 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c(C)c1 ZINC000004310160 562943060 /nfs/dbraw/zinc/94/30/60/562943060.db2.gz SYBAWCURQZZXKU-UHFFFAOYSA-N 0 0 448.589 4.655 50 0 IJAARN COc1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC ZINC000004312876 562943083 /nfs/dbraw/zinc/94/30/83/562943083.db2.gz OLGXYPQVXGQYNC-JHOBJCJYSA-N 0 0 433.485 4.714 50 0 IJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000006552376 562947256 /nfs/dbraw/zinc/94/72/56/562947256.db2.gz ZSUKOYLQVRTNHY-UHFFFAOYSA-N 0 0 430.430 4.707 50 0 IJAARN CCc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)cc1 ZINC000008444741 562949388 /nfs/dbraw/zinc/94/93/88/562949388.db2.gz DHCVUADXJFZIIQ-TVNWEXPRSA-N 0 0 435.564 4.529 50 0 IJAARN Cc1ccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(c32)n(C)c(=O)n(C)c4=O)cc1 ZINC000008587472 562950252 /nfs/dbraw/zinc/95/02/52/562950252.db2.gz VFTBFRIDYNQADB-HSZRJFAPSA-N 0 0 448.526 4.518 50 0 IJAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1OC ZINC000008589098 562951062 /nfs/dbraw/zinc/95/10/62/562951062.db2.gz OWRPFLPZPNXZCB-UHFFFAOYSA-N 0 0 428.492 4.876 50 0 IJAARN COc1ccc(NC(=O)Cn2c(SCc3ccc(C)cc3)nc3cccnc32)c(OC)c1 ZINC000008590175 562951468 /nfs/dbraw/zinc/95/14/68/562951468.db2.gz YBYDJHPHXZRAAS-UHFFFAOYSA-N 0 0 448.548 4.688 50 0 IJAARN Cc1ccc(NC(=O)C2CCN(c3nn4cc(-c5ccc(C)cc5)nc4s3)CC2)cc1 ZINC000008591007 562951963 /nfs/dbraw/zinc/95/19/63/562951963.db2.gz OWLWVYLJIDNMES-UHFFFAOYSA-N 0 0 431.565 4.930 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)N[C@@H](C)c4ccccc4)nn3c2C)cc1 ZINC000008591751 562952128 /nfs/dbraw/zinc/95/21/28/562952128.db2.gz VIHNONNXJXFDFZ-KRWDZBQOSA-N 0 0 445.592 4.610 50 0 IJAARN CSc1ccc(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000008591869 562952133 /nfs/dbraw/zinc/95/21/33/562952133.db2.gz GTECRLIYYBONMM-UHFFFAOYSA-N 0 0 434.540 4.805 50 0 IJAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1cc(C)c(Cl)cc1OC)n2C ZINC000008592076 562952228 /nfs/dbraw/zinc/95/22/28/562952228.db2.gz SMDODEGFTCGCBZ-UHFFFAOYSA-N 0 0 441.915 4.536 50 0 IJAARN CCn1cc2nc(SCc3cccc(OC)c3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000008592615 562952424 /nfs/dbraw/zinc/95/24/24/562952424.db2.gz KIICDXGBWYKHFG-UHFFFAOYSA-N 0 0 440.956 4.616 50 0 IJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)c1C ZINC000008593009 562952555 /nfs/dbraw/zinc/95/25/55/562952555.db2.gz ZAPYZSDKDANQFV-UHFFFAOYSA-N 0 0 440.540 4.513 50 0 IJAARN CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008595542 562953544 /nfs/dbraw/zinc/95/35/44/562953544.db2.gz ICQFSDPHXIZPSA-UHFFFAOYSA-N 0 0 433.936 4.817 50 0 IJAARN CCOc1ccc(CCNC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(F)c2)cc1 ZINC000008598258 562954253 /nfs/dbraw/zinc/95/42/53/562954253.db2.gz ZVZQTVUPRYLSBG-UHFFFAOYSA-N 0 0 432.499 4.548 50 0 IJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCc3cccc(C)c3)c(C)n2n1 ZINC000008598550 562954336 /nfs/dbraw/zinc/95/43/36/562954336.db2.gz KBMRFEAZUVRAJR-UHFFFAOYSA-N 0 0 442.563 4.622 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccccc1OC ZINC000008598698 562954361 /nfs/dbraw/zinc/95/43/61/562954361.db2.gz LTFSHTPHTRCCCF-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 ZINC000008599324 562954651 /nfs/dbraw/zinc/95/46/51/562954651.db2.gz KJQMWICIMYTVMN-UHFFFAOYSA-N 0 0 428.561 4.998 50 0 IJAARN CCOc1ccc2nc(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)sc2c1 ZINC000008600309 562955065 /nfs/dbraw/zinc/95/50/65/562955065.db2.gz QTSVCRJGOMCQOX-UHFFFAOYSA-N 0 0 439.924 4.811 50 0 IJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000008601148 562955179 /nfs/dbraw/zinc/95/51/79/562955179.db2.gz PUVQIYXGCUFZLD-UHFFFAOYSA-N 0 0 427.957 4.686 50 0 IJAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)c2ccco2)cc1 ZINC000008601294 562955295 /nfs/dbraw/zinc/95/52/95/562955295.db2.gz GSFFIQUZGYPXTG-LJQANCHMSA-N 0 0 437.439 4.552 50 0 IJAARN COc1ccc(-c2nn(CC(=O)NCc3ccccc3)c3c2cnc2ccc(F)cc32)cc1 ZINC000008605966 562956922 /nfs/dbraw/zinc/95/69/22/562956922.db2.gz QKPLBNOHUOMRNU-UHFFFAOYSA-N 0 0 440.478 4.716 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000008610190 562958094 /nfs/dbraw/zinc/95/80/94/562958094.db2.gz SDKNNMYXQAURSF-UHFFFAOYSA-N 0 0 448.470 4.563 50 0 IJAARN CCc1ccc(CNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000008610451 562958162 /nfs/dbraw/zinc/95/81/62/562958162.db2.gz PGANPVSLGNEXPS-UHFFFAOYSA-N 0 0 430.577 4.775 50 0 IJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)s1 ZINC000008610562 562958241 /nfs/dbraw/zinc/95/82/41/562958241.db2.gz UTRXUZXDVQGYRE-INIZCTEOSA-N 0 0 429.977 4.763 50 0 IJAARN COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(Cl)cc3)c(C)c2C(=O)[O-])c(OC)c1 ZINC000008610586 562958254 /nfs/dbraw/zinc/95/82/54/562958254.db2.gz WVOQHNSKIFMBFL-UHFFFAOYSA-N 0 0 442.943 4.812 50 0 IJAARN COCCCNC(=O)c1c2c(sc1NC(=O)Cc1coc3cc(C)ccc13)CCCC2 ZINC000008611957 562958838 /nfs/dbraw/zinc/95/88/38/562958838.db2.gz YFCOTUKFWFBBAL-UHFFFAOYSA-N 0 0 440.565 4.629 50 0 IJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000008612161 562958994 /nfs/dbraw/zinc/95/89/94/562958994.db2.gz LTMPYUBNWPLKOL-INIZCTEOSA-N 0 0 449.931 4.672 50 0 IJAARN C[C@@H]1CCCCN1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1 ZINC000008670380 562960631 /nfs/dbraw/zinc/96/06/31/562960631.db2.gz YWDBPOCLUIMCRE-LLVKDONJSA-N 0 0 448.346 4.587 50 0 aggregator IJAARN Cc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008690960 562963286 /nfs/dbraw/zinc/96/32/86/562963286.db2.gz IFFQLQGGMHZFMF-UHFFFAOYSA-N 0 0 449.576 5.000 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000008694177 562963758 /nfs/dbraw/zinc/96/37/58/562963758.db2.gz FLAVGAKXUAJBMD-UHFFFAOYSA-N 0 0 435.760 4.930 50 0 IJAARN Cc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(NC4CCCCCC4)nc23)cc1 ZINC000009116906 562967315 /nfs/dbraw/zinc/96/73/15/562967315.db2.gz PHGUINFRXCROFW-UHFFFAOYSA-N 0 0 441.582 4.615 50 0 IJAARN CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000009316827 562969289 /nfs/dbraw/zinc/96/92/89/562969289.db2.gz BZJSSPUQDURRIR-UHFFFAOYSA-N 0 0 448.544 4.631 50 0 IJAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)c1 ZINC000009432724 562970787 /nfs/dbraw/zinc/97/07/87/562970787.db2.gz WSZHQSJSXCBSSE-XZOQPEGZSA-N 0 0 434.561 4.876 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000009434098 562970990 /nfs/dbraw/zinc/97/09/90/562970990.db2.gz VCNWGQTYFQWIEA-OAQYLSRUSA-N 0 0 446.503 4.713 50 0 IJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000009434097 562970996 /nfs/dbraw/zinc/97/09/96/562970996.db2.gz VCNWGQTYFQWIEA-NRFANRHFSA-N 0 0 446.503 4.713 50 0 IJAARN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1Cl ZINC000009673229 562975266 /nfs/dbraw/zinc/97/52/66/562975266.db2.gz LRVHMAQBWLHIEU-VQTJNVASSA-N 0 0 426.925 4.959 50 0 IJAARN COc1ccc(-c2cn3c(CCC(=O)NCCc4c[nH]c5ccccc45)csc3n2)cc1 ZINC000016848815 563020985 /nfs/dbraw/zinc/02/09/85/563020985.db2.gz VZQOVYJFPIYBDT-UHFFFAOYSA-N 0 0 444.560 4.844 50 0 IJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000017013721 563021208 /nfs/dbraw/zinc/02/12/08/563021208.db2.gz VZBFPHQTBLTMAI-UHFFFAOYSA-N 0 0 443.960 4.583 50 0 IJAARN CCc1ccc([C@](O)(c2ccccc2OC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020440995 563025016 /nfs/dbraw/zinc/02/50/16/563025016.db2.gz XPSIKVKQGXEMJM-XCZPVHLTSA-N 0 0 431.576 4.610 50 0 IJAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)o1 ZINC000037868472 563095964 /nfs/dbraw/zinc/09/59/64/563095964.db2.gz VQNPXHLTVHNWHE-FQEVSTJZSA-N 0 0 431.492 4.735 50 0 IJAARN CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000033297963 568626241 /nfs/dbraw/zinc/62/62/41/568626241.db2.gz WUGKMTLWFXJAOJ-RAXLEYEMSA-N 0 0 425.510 4.611 50 0 IJAARN CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000018965102 568629729 /nfs/dbraw/zinc/62/97/29/568629729.db2.gz QGCGISGAJNXCCU-OAHLLOKOSA-N 0 0 435.549 4.689 50 0 IJAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)Nc1ccc2c(c1)OCCO2 ZINC000000904230 568636196 /nfs/dbraw/zinc/63/61/96/568636196.db2.gz VIHZZUPYLTVWDD-UHFFFAOYSA-N 0 0 435.530 4.860 50 0 IJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)c(C)c1 ZINC000000915492 568637075 /nfs/dbraw/zinc/63/70/75/568637075.db2.gz LOOZYLJDXAQNJX-UHFFFAOYSA-N 0 0 445.386 4.901 50 0 IJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1CCc1ccccc1)C(=O)Nc1ccccc1 ZINC000000923648 568637731 /nfs/dbraw/zinc/63/77/31/568637731.db2.gz PTVHZZYZCNATIJ-GOSISDBHSA-N 0 0 429.549 4.702 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)Nc1cccc(Cl)c1 ZINC000000923630 568637777 /nfs/dbraw/zinc/63/77/77/568637777.db2.gz SATVWVSLXVHJLQ-UHFFFAOYSA-N 0 0 449.967 4.967 50 0 IJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1 ZINC000000925199 568637901 /nfs/dbraw/zinc/63/79/01/568637901.db2.gz WTJRMBWVNBZQOG-UHFFFAOYSA-N 0 0 428.561 4.956 50 0 IJAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cccc(Br)c2)C1=O ZINC000000937858 568639245 /nfs/dbraw/zinc/63/92/45/568639245.db2.gz VZFVWXVOXJORTD-UHFFFAOYSA-N 0 0 442.096 4.547 50 0 IJAARN Cc1ccc(SC2=C(Nc3ccc(C)c(O)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000000938278 568639505 /nfs/dbraw/zinc/63/95/05/568639505.db2.gz LQQMAZIQTWHRNV-UHFFFAOYSA-N 0 0 430.529 4.994 50 0 IJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[nH]c(=O)c21 ZINC000086057243 568642543 /nfs/dbraw/zinc/64/25/43/568642543.db2.gz HQNAZUHPKQTSLQ-SFHVURJKSA-N 0 0 435.549 4.634 50 0 IJAARN COc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)CCc2ccccc2)cc1 ZINC000086066612 568644406 /nfs/dbraw/zinc/64/44/06/568644406.db2.gz GFVLZWLKSZPHDC-UHFFFAOYSA-N 0 0 449.942 4.569 50 0 IJAARN Cc1cc(I)ccc1NC(=O)/C(Br)=C/c1ccccc1 ZINC000000955799 568645752 /nfs/dbraw/zinc/64/57/52/568645752.db2.gz OZSSWEPVRANFGF-UVTDQMKNSA-N 0 0 442.094 4.974 50 0 IJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000956345 568646085 /nfs/dbraw/zinc/64/60/85/568646085.db2.gz GFEWNCOPAONJAH-VWLOTQADSA-N 0 0 442.515 4.979 50 0 IJAARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000000976526 568648046 /nfs/dbraw/zinc/64/80/46/568648046.db2.gz LZJHFEAVUDVYHD-LJQANCHMSA-N 0 0 435.277 4.627 50 0 IJAARN O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cc(Br)c(Br)o1 ZINC000000997412 568649401 /nfs/dbraw/zinc/64/94/01/568649401.db2.gz MBNHVKNMCXGPFV-IZZDOVSWSA-N 0 0 431.467 4.803 50 0 IJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCc2ccccc2C1 ZINC000000999564 568649603 /nfs/dbraw/zinc/64/96/03/568649603.db2.gz KSWNDYNTPAFSHT-MAUKXSAKSA-N 0 0 432.471 4.803 50 0 IJAARN COC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)c1C ZINC000001017572 568651058 /nfs/dbraw/zinc/65/10/58/568651058.db2.gz UZFTWKZDFZJEEL-JTQLQIEISA-N 0 0 429.567 4.523 50 0 IJAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000001088144 568658395 /nfs/dbraw/zinc/65/83/95/568658395.db2.gz QMMRCBRSMGMPBW-IAGOWNOFSA-N 0 0 437.517 4.961 50 0 IJAARN COc1ccc(Cl)cc1NC1=NC(=O)C[C@H](C(=O)Nc2ccc(C(C)C)cc2)S1 ZINC000001107402 568659357 /nfs/dbraw/zinc/65/93/57/568659357.db2.gz NULYPMPJTXCWSU-GOSISDBHSA-N 0 0 431.945 4.911 50 0 IJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)Nc2ccccc2)C(C)C)cc1 ZINC000001149131 568662268 /nfs/dbraw/zinc/66/22/68/568662268.db2.gz WEVJGYMZLHFLLR-QHCPKHFHSA-N 0 0 429.520 4.640 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2cc(OC)cc(OC)c2)CC[C@@H]1c1ccccc1 ZINC000034733231 568737583 /nfs/dbraw/zinc/73/75/83/568737583.db2.gz AMWSRIQZQGOMBJ-AUSIDOKSSA-N 0 0 439.556 4.605 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)NCC1CCCCC1 ZINC000003234285 568743276 /nfs/dbraw/zinc/74/32/76/568743276.db2.gz ABZNPTZWHQZCCY-UHFFFAOYSA-N 0 0 441.984 4.828 50 0 IJAARN CCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003226463 568743311 /nfs/dbraw/zinc/74/33/11/568743311.db2.gz SPJCGJIZSCFCDF-UHFFFAOYSA-N 0 0 435.907 4.777 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003272143 568744821 /nfs/dbraw/zinc/74/48/21/568744821.db2.gz IIJZMFQEPVMKIS-INIZCTEOSA-N 0 0 431.521 4.789 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000044006101 568745709 /nfs/dbraw/zinc/74/57/09/568745709.db2.gz YVDOYPVZKPKHMV-UHFFFAOYSA-N 0 0 434.899 4.553 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NC1CCCCC1 ZINC000003324934 568746003 /nfs/dbraw/zinc/74/60/03/568746003.db2.gz FKHZJXFFVUSMPS-UHFFFAOYSA-N 0 0 441.984 4.639 50 0 IJAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(Br)s1 ZINC000003329712 568746219 /nfs/dbraw/zinc/74/62/19/568746219.db2.gz PLOVDPQVXMQLFH-UHFFFAOYSA-N 0 0 431.720 4.569 50 0 IJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Br)cc1F ZINC000003349585 568746762 /nfs/dbraw/zinc/74/67/62/568746762.db2.gz JGEAFBDVQIELKK-UHFFFAOYSA-N 0 0 432.245 4.546 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000012571606 568750679 /nfs/dbraw/zinc/75/06/79/568750679.db2.gz WXPAEWSWQBDSDT-MRXNPFEDSA-N 0 0 438.351 4.833 50 0 IJAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1Cc1ccccc1)N(C)C ZINC000003553123 568750684 /nfs/dbraw/zinc/75/06/84/568750684.db2.gz GJLSVQLJIWOHNJ-OAQYLSRUSA-N 0 0 437.613 4.687 50 0 IJAARN COc1ccc(-c2cc(C(=O)N[C@H](c3nc(-c4ccccc4)no3)C(C)(C)C)no2)cc1 ZINC000334163355 568751391 /nfs/dbraw/zinc/75/13/91/568751391.db2.gz ZDJFMXFNKSONLM-HXUWFJFHSA-N 0 0 432.480 4.917 50 0 IJAARN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccccc1 ZINC000003671650 568754102 /nfs/dbraw/zinc/75/41/02/568754102.db2.gz BIBBYZZPEMTBLP-DEDYPNTBSA-N 0 0 431.419 4.788 50 0 IJAARN Cc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)CCc1ccccn1 ZINC000299771813 568756833 /nfs/dbraw/zinc/75/68/33/568756833.db2.gz VFYJDOLHLNRORE-UHFFFAOYSA-N 0 0 440.503 4.546 50 0 IJAARN COc1cccc(OC)c1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001307749 568779220 /nfs/dbraw/zinc/77/92/20/568779220.db2.gz AYXBMZHNZDRCEB-UHFFFAOYSA-N 0 0 436.895 4.813 50 0 IJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccc(OC)c4)ccc3c2=O)cc1 ZINC000001322624 568780232 /nfs/dbraw/zinc/78/02/32/568780232.db2.gz HRHYLBJOIQDMDF-UHFFFAOYSA-N 0 0 446.411 4.600 50 0 biogenic IJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 ZINC000032103233 568780805 /nfs/dbraw/zinc/78/08/05/568780805.db2.gz QTUCYAFMEVGIGZ-SNVBAGLBSA-N 0 0 436.672 4.649 50 0 IJAARN COc1c2c(c(NC(=O)c3cc(C)c(-c4ccccc4)s3)c3c1CN(C)CC3)OCO2 ZINC000032124115 568781485 /nfs/dbraw/zinc/78/14/85/568781485.db2.gz DJJOADAICIVHQG-UHFFFAOYSA-N 0 0 436.533 4.701 50 0 biogenic IJAARN CCc1ccc2nc(NC(=O)N[C@H]3CCS(=O)(=O)c4ccc(Cl)cc43)sc2c1 ZINC000083825571 568782637 /nfs/dbraw/zinc/78/26/37/568782637.db2.gz ZDNWIQNORJCATP-AWEZNQCLSA-N 0 0 435.958 4.552 50 0 IJAARN CN(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2COc2ccccc2)c(Cl)c1 ZINC000083844135 568783063 /nfs/dbraw/zinc/78/30/63/568783063.db2.gz TYLUGICXPDGRPU-UHFFFAOYSA-N 0 0 437.927 4.943 50 0 IJAARN O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccccc1 ZINC000001392202 568785342 /nfs/dbraw/zinc/78/53/42/568785342.db2.gz TXVRZYIQDYHOGF-UHFFFAOYSA-N 0 0 425.815 4.818 50 0 IJAARN CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O)C(=O)c1ccccc1 ZINC000001159481 568788249 /nfs/dbraw/zinc/78/82/49/568788249.db2.gz FJUSAKOUHONNAB-JOCHJYFZSA-N 0 0 427.456 4.614 50 0 IJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)cc1 ZINC000001136333 568788259 /nfs/dbraw/zinc/78/82/59/568788259.db2.gz LWGMTJVBNAYPLH-UHFFFAOYSA-N 0 0 445.334 4.951 50 0 IJAARN Cc1cccc2c(=O)n(CCCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)cnc12 ZINC000025901942 568791018 /nfs/dbraw/zinc/79/10/18/568791018.db2.gz IHKPOCUPPRNYFO-RUZDIDTESA-N 0 0 443.572 4.721 50 0 IJAARN CCc1ccccc1NC(=O)c1cc2c(n(-c3ccc(OC)cc3)c1=O)CC(C)(C)CC2=O ZINC000001424557 568793767 /nfs/dbraw/zinc/79/37/67/568793767.db2.gz FIDNGEHDHRHZMI-UHFFFAOYSA-N 0 0 444.531 4.816 50 0 IJAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)ccc1OCc1ccccc1 ZINC000001427894 568794139 /nfs/dbraw/zinc/79/41/39/568794139.db2.gz HVFDIDHVXPBKEC-HXUWFJFHSA-N 0 0 441.483 4.567 50 0 IJAARN C[C@@]12COc3c(Br)cc(Br)cc3[C@H]1c1sc(=O)[nH]c1SC2 ZINC000001431700 568794847 /nfs/dbraw/zinc/79/48/47/568794847.db2.gz AYCROMNCFXIXCY-XPTSAGLGSA-N 0 0 449.189 4.598 50 0 IJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2C(=O)NCC(=O)C(C)(C)C)c1C ZINC000012752892 568795635 /nfs/dbraw/zinc/79/56/35/568795635.db2.gz JZRSNTPNKLXMHI-INIZCTEOSA-N 0 0 442.581 4.543 50 0 IJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCC[C@H](C)C1 ZINC000084234962 568796438 /nfs/dbraw/zinc/79/64/38/568796438.db2.gz IZMPDZQEDANOIS-DMJCMNNJSA-N 0 0 447.579 4.744 50 0 IJAARN O=C(c1ccc(OCC2CC2)cc1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000084387809 568797806 /nfs/dbraw/zinc/79/78/06/568797806.db2.gz FRKCABDTTPIEOB-QGZVFWFLSA-N 0 0 444.457 4.557 50 0 IJAARN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000084452354 568798082 /nfs/dbraw/zinc/79/80/82/568798082.db2.gz XCBZMYLOEYWXAE-SECBINFHSA-N 0 0 430.801 4.940 50 0 IJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1nccs1 ZINC000015671154 568802340 /nfs/dbraw/zinc/80/23/40/568802340.db2.gz OMJYZJKVHXBQEZ-UHFFFAOYSA-N 0 0 427.942 4.775 50 0 IJAARN Cc1nc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)cc(N(C)C)n1 ZINC000015671324 568803040 /nfs/dbraw/zinc/80/30/40/568803040.db2.gz GSIMWZVXLNGFDV-UHFFFAOYSA-N 0 0 439.585 4.827 50 0 IJAARN CCOCCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672837 568803288 /nfs/dbraw/zinc/80/32/88/568803288.db2.gz KRRDNOQTNLJJTA-DEOSSOPVSA-N 0 0 445.629 4.573 50 0 IJAARN Cc1cc(C)cc(N2C(=O)c3cc(C(C)(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000015676231 568804099 /nfs/dbraw/zinc/80/40/99/568804099.db2.gz GNLYUUQYDKSXOF-SANMLTNESA-N 0 0 436.600 4.665 50 0 IJAARN CC(C)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCCC1)N(Cc1ccccc1)C2=O ZINC000015676527 568804181 /nfs/dbraw/zinc/80/41/81/568804181.db2.gz GUGCPBCWRGGABH-SANMLTNESA-N 0 0 436.600 4.650 50 0 IJAARN O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)N1CCN(c2ccccn2)CC1 ZINC000015678334 568804731 /nfs/dbraw/zinc/80/47/31/568804731.db2.gz IHLLEYMGCOIOMN-UHFFFAOYSA-N 0 0 442.538 4.505 50 0 IJAARN COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000001448160 568817518 /nfs/dbraw/zinc/81/75/18/568817518.db2.gz IYZNEVYIRPUMBV-UHFFFAOYSA-N 0 0 436.441 4.961 50 0 IJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc2c1OCCO2 ZINC000085412397 568818425 /nfs/dbraw/zinc/81/84/25/568818425.db2.gz VMDHHQUSQJARHD-HXUWFJFHSA-N 0 0 429.542 4.738 50 0 IJAARN COc1cc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)[C@H](C)CO3)cc(OC)c1OC ZINC000015775284 568823308 /nfs/dbraw/zinc/82/33/08/568823308.db2.gz PPYRIWFARZCFLV-QGZVFWFLSA-N 0 0 448.519 4.752 50 0 IJAARN CCOc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4cccc(C)c4)o3)n2)cc1 ZINC000085644217 568829294 /nfs/dbraw/zinc/82/92/94/568829294.db2.gz LIVWXSKXHIGMLP-UHFFFAOYSA-N 0 0 438.505 4.819 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)[C@H](C)Oc2ccccc2)c1C ZINC000085711510 568835331 /nfs/dbraw/zinc/83/53/31/568835331.db2.gz YQJMCUCEIIJIEQ-FQEVSTJZSA-N 0 0 434.536 4.805 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(C2CCCCC2)S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000085712583 568835572 /nfs/dbraw/zinc/83/55/72/568835572.db2.gz KARBAOQZURIQJP-UHFFFAOYSA-N 0 0 446.613 4.949 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2ccccc2OC)c1C ZINC000085711623 568835766 /nfs/dbraw/zinc/83/57/66/568835766.db2.gz VCORGLFPFXYEDI-UHFFFAOYSA-N 0 0 434.536 4.702 50 0 IJAARN CC[C@H](C(=O)Nc1cccc(SC)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000015787044 568836398 /nfs/dbraw/zinc/83/63/98/568836398.db2.gz BGWMKLORJZRBCW-HXUWFJFHSA-N 0 0 447.564 4.511 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccncc1 ZINC000001077007 568836589 /nfs/dbraw/zinc/83/65/89/568836589.db2.gz SARYHHMXFYERQI-UHFFFAOYSA-N 0 0 445.548 4.670 50 0 IJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000001120968 568836674 /nfs/dbraw/zinc/83/66/74/568836674.db2.gz FEYJMVOVKJGYEV-AWEZNQCLSA-N 0 0 442.512 4.695 50 0 IJAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccc(C)o3)c3ccc(OC)c(OC)c3)c21 ZINC000085876164 568837918 /nfs/dbraw/zinc/83/79/18/568837918.db2.gz ALEGXWGNSXWWEI-LJQANCHMSA-N 0 0 448.519 4.934 50 0 biogenic IJAARN COc1c2sc3ncnc(NCCc4ccc(O)cc4)c3c2ccc1Br ZINC000001512576 568837984 /nfs/dbraw/zinc/83/79/84/568837984.db2.gz BTRVSOYDXBKSIN-UHFFFAOYSA-N 0 0 430.327 4.976 50 0 IJAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccc5[nH]ccc54)c12)OC(C)(C)CC3 ZINC000085877774 568838482 /nfs/dbraw/zinc/83/84/82/568838482.db2.gz RFTYEZXPJQHWJK-UHFFFAOYSA-N 0 0 432.476 4.704 50 0 biogenic IJAARN COc1ccc2c(C)c(CC(=O)Nc3cccc4c3ccn4C(C)C)c(=O)oc2c1OC ZINC000085876693 568838491 /nfs/dbraw/zinc/83/84/91/568838491.db2.gz WZVMMFZPSBXGQY-UHFFFAOYSA-N 0 0 434.492 4.835 50 0 biogenic IJAARN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)Nc1ccccc1)C2 ZINC000104917404 568839157 /nfs/dbraw/zinc/83/91/57/568839157.db2.gz HRQKTIVWAJOMSF-AOYPEHQESA-N 0 0 427.548 4.510 50 0 IJAARN COc1ccc(OC)c(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1 ZINC000001516032 568839560 /nfs/dbraw/zinc/83/95/60/568839560.db2.gz OANAGSRUURXISH-UHFFFAOYSA-N 0 0 448.426 4.746 50 0 IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000015823808 568840230 /nfs/dbraw/zinc/84/02/30/568840230.db2.gz UTKHRNBCKWKCCK-UHFFFAOYSA-N 0 0 429.567 4.782 50 0 IJAARN COc1cnc(CSc2nc(C)cs2)cc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000015823832 568840279 /nfs/dbraw/zinc/84/02/79/568840279.db2.gz NSLJSTZKCVZLFB-UHFFFAOYSA-N 0 0 435.958 4.818 50 0 IJAARN COc1ccc(NC(=O)COc2cc(CSc3ccc(F)cc3)ncc2OC)cc1 ZINC000015824679 568840598 /nfs/dbraw/zinc/84/05/98/568840598.db2.gz ZJJVLCLHQWKXCJ-UHFFFAOYSA-N 0 0 428.485 4.548 50 0 IJAARN Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1c2ccccc2c(=O)n(C(C)C)c1=O ZINC000015829294 568841292 /nfs/dbraw/zinc/84/12/92/568841292.db2.gz OJTGHKOLHWIFGV-UHFFFAOYSA-N 0 0 433.508 4.543 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2C2CCCCC2)cc1 ZINC000006140754 568845377 /nfs/dbraw/zinc/84/53/77/568845377.db2.gz LOALEHMAMGDKIE-UHFFFAOYSA-N 0 0 428.602 5.000 50 0 IJAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000006147877 568846436 /nfs/dbraw/zinc/84/64/36/568846436.db2.gz QNEFREZWLOPPNW-UHFFFAOYSA-N 0 0 448.548 4.811 50 0 IJAARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4cccc(C)c4)cc3s2)cc1 ZINC000015861928 568848433 /nfs/dbraw/zinc/84/84/33/568848433.db2.gz TVOGOPDLUHAFAU-UHFFFAOYSA-N 0 0 437.546 4.966 50 0 IJAARN CCOc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000015865414 568850131 /nfs/dbraw/zinc/85/01/31/568850131.db2.gz BFEKSGTUPSKGQN-UHFFFAOYSA-N 0 0 444.491 4.625 50 0 IJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)c2ccc(Br)o2)c1C ZINC000015865599 568850489 /nfs/dbraw/zinc/85/04/89/568850489.db2.gz YGOFVKUFGVDRPH-UHFFFAOYSA-N 0 0 449.301 4.599 50 0 IJAARN CC(C)c1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)cc1 ZINC000015866270 568850727 /nfs/dbraw/zinc/85/07/27/568850727.db2.gz SRWWIBHQBSDFBO-ZWKOTPCHSA-N 0 0 445.308 4.547 50 0 IJAARN Cc1ccc2nc(COc3ccccc3NC(=O)Nc3cccc(C)c3C)cc(=O)n2c1 ZINC000015865490 568850750 /nfs/dbraw/zinc/85/07/50/568850750.db2.gz LVXBTTKOGYLLGS-UHFFFAOYSA-N 0 0 428.492 4.843 50 0 IJAARN Cc1ccccc1S(=O)(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870230 568851695 /nfs/dbraw/zinc/85/16/95/568851695.db2.gz TZVDNWLWNLOQAI-UHFFFAOYSA-N 0 0 429.567 4.924 50 0 IJAARN Cc1cc(C)c[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000334157366 568852652 /nfs/dbraw/zinc/85/26/52/568852652.db2.gz KGXCJIXFINYZMM-UHFFFAOYSA-O 0 0 425.921 4.808 50 0 IJAARN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000015982633 568861655 /nfs/dbraw/zinc/86/16/55/568861655.db2.gz QJQJMQZQBGBEHP-UHFFFAOYSA-N 0 0 438.524 4.680 50 0 IJAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012938487 568867702 /nfs/dbraw/zinc/86/77/02/568867702.db2.gz LWCFMZYLQNGGPO-QHCPKHFHSA-N 0 0 429.545 4.805 50 0 IJAARN O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000016047994 568869366 /nfs/dbraw/zinc/86/93/66/568869366.db2.gz CFDYRXSNQGNAIU-UHFFFAOYSA-N 0 0 434.542 4.890 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000012949431 568871814 /nfs/dbraw/zinc/87/18/14/568871814.db2.gz OETBUZAUADMWBU-LBPRGKRZSA-N 0 0 430.580 4.741 50 0 IJAARN CC(C)Sc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 ZINC000001660351 568877184 /nfs/dbraw/zinc/87/71/84/568877184.db2.gz BCCODQAIESLSNR-UHFFFAOYSA-N 0 0 436.318 4.550 50 0 IJAARN O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000063980900 568881358 /nfs/dbraw/zinc/88/13/58/568881358.db2.gz GIRNKTCVEZYAAO-UHFFFAOYSA-N 0 0 426.441 4.720 50 0 IJAARN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000090594512 568889265 /nfs/dbraw/zinc/88/92/65/568889265.db2.gz MNJIHCWHCWSYIN-KRWDZBQOSA-N 0 0 446.404 4.792 50 0 IJAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612424 568892459 /nfs/dbraw/zinc/89/24/59/568892459.db2.gz FZFRBSDMOHPPPH-UHFFFAOYSA-N 0 0 429.485 4.935 50 0 IJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc1 ZINC000006348621 568893315 /nfs/dbraw/zinc/89/33/15/568893315.db2.gz IEBHDAIVIYGGGS-HSZRJFAPSA-N 0 0 435.549 4.558 50 0 IJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000012980441 568893655 /nfs/dbraw/zinc/89/36/55/568893655.db2.gz JEBJRNCKTKGEIH-UHFFFAOYSA-N 0 0 425.916 4.753 50 0 IJAARN COc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019721984 568894596 /nfs/dbraw/zinc/89/45/96/568894596.db2.gz SFUYRPPDWAFBKA-JQIJEIRASA-N 0 0 442.559 4.651 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1CCC1=CCCCC1 ZINC000013028892 568903658 /nfs/dbraw/zinc/90/36/58/568903658.db2.gz RGJZJXBMCIOGPP-MHZLTWQESA-N 0 0 445.563 4.572 50 0 IJAARN O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)OCC(=O)NCc1ccccc1 ZINC000001781889 568907063 /nfs/dbraw/zinc/90/70/63/568907063.db2.gz MBIWALDDWSTKCZ-NTCAYCPXSA-N 0 0 435.907 4.792 50 0 IJAARN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000006458596 568909361 /nfs/dbraw/zinc/90/93/61/568909361.db2.gz SOVJBVYYVHADQB-FLVDCRJSSA-N 0 0 442.540 4.996 50 0 IJAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000238924237 568910200 /nfs/dbraw/zinc/91/02/00/568910200.db2.gz RGBKNQPTVAWOIS-WKILWMFISA-N 0 0 441.524 4.518 50 0 IJAARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000238900001 568910215 /nfs/dbraw/zinc/91/02/15/568910215.db2.gz HPEUIIQOVQZUHQ-ZLNRFVROSA-N 0 0 448.906 4.708 50 0 IJAARN Cc1ccc(N2Oc3c(O)n(-c4ccc(C(F)(F)F)cc4)c(O)c3[C@H]2c2ccco2)cc1 ZINC000238923543 568910283 /nfs/dbraw/zinc/91/02/83/568910283.db2.gz OSIPTGSIYCIGGH-AQNXPRMDSA-N 0 0 442.393 4.658 50 0 IJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 ZINC000245254551 568913422 /nfs/dbraw/zinc/91/34/22/568913422.db2.gz AARNTHXWEJZYEM-RLWLMLJZSA-N 0 0 446.503 4.963 50 0 IJAARN Cc1c(C(=O)N[C@H]2CC[C@H](O)CC2)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000244626636 568915337 /nfs/dbraw/zinc/91/53/37/568915337.db2.gz FPNSOLYXOPMFCC-ZHALLVOQSA-N 0 0 436.581 4.523 50 0 IJAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 ZINC000026842262 568917775 /nfs/dbraw/zinc/91/77/75/568917775.db2.gz FKGVBQCYDBLWNN-KUHUBIRLSA-N 0 0 426.925 4.732 50 0 IJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000001901096 568918366 /nfs/dbraw/zinc/91/83/66/568918366.db2.gz QXHNYLZWEPRFNZ-VMPITWQZSA-N 0 0 439.880 4.973 50 0 IJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1sc2ncccc2c1N ZINC000064370093 568920012 /nfs/dbraw/zinc/92/00/12/568920012.db2.gz XYYCVVUKGQOGEK-UHFFFAOYSA-N 0 0 444.973 4.541 50 0 IJAARN CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000089335230 568920508 /nfs/dbraw/zinc/92/05/08/568920508.db2.gz UYIBGGCMDOVCRF-BFYDXBDKSA-N 0 0 444.767 4.737 50 0 IJAARN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000035794579 568923085 /nfs/dbraw/zinc/92/30/85/568923085.db2.gz UJCGVFQJDCXBEG-UHFFFAOYSA-N 0 0 434.971 4.608 50 0 IJAARN COCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000035793391 568923124 /nfs/dbraw/zinc/92/31/24/568923124.db2.gz QHQRNGDYQBHSMZ-UHFFFAOYSA-N 0 0 446.482 4.659 50 0 IJAARN COc1cc(OC)cc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)c1 ZINC000089424037 568924374 /nfs/dbraw/zinc/92/43/74/568924374.db2.gz WHDGCQNFTJDXIQ-UHFFFAOYSA-N 0 0 425.554 4.802 50 0 IJAARN CC(=O)Nc1ccc(C(=O)COc2c(=O)c3ccccc3oc2-c2ccc(C)cc2)cc1 ZINC000001993898 568924453 /nfs/dbraw/zinc/92/44/53/568924453.db2.gz ANMKZOAXOZZOSQ-UHFFFAOYSA-N 0 0 427.456 4.989 50 0 IJAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000001296467 568924833 /nfs/dbraw/zinc/92/48/33/568924833.db2.gz FNBQGJOHXXMCIB-UHFFFAOYSA-N 0 0 443.521 4.556 50 0 biogenic IJAARN COc1ccc(C(=O)CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)cc1 ZINC000089438710 568924848 /nfs/dbraw/zinc/92/48/48/568924848.db2.gz QGPXRUIEVRLKIU-UHFFFAOYSA-N 0 0 435.505 4.579 50 0 IJAARN COc1ccc(-c2nc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000089455351 568925614 /nfs/dbraw/zinc/92/56/14/568925614.db2.gz KCZKKVOUTFHOJN-QFBILLFUSA-N 0 0 448.466 4.786 50 0 IJAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(NC(=O)C3CCCCC3)c2)N2CCCSC2=N1 ZINC000016613775 568925811 /nfs/dbraw/zinc/92/58/11/568925811.db2.gz UXQVALWQBHRJLI-OAQYLSRUSA-N 0 0 441.597 4.892 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450165 568928982 /nfs/dbraw/zinc/92/89/82/568928982.db2.gz VKDONWHHWBUGBQ-UHFFFAOYSA-N 0 0 449.942 4.894 50 0 IJAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nccnc2Oc2ccc(C)cc2)C1 ZINC000064452405 568929146 /nfs/dbraw/zinc/92/91/46/568929146.db2.gz MINOFPXLPXMEKO-NRFANRHFSA-N 0 0 446.551 4.509 50 0 IJAARN CC(C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccccc1F ZINC000016653612 568929560 /nfs/dbraw/zinc/92/95/60/568929560.db2.gz IMAZDKMCPFKVQW-UHFFFAOYSA-N 0 0 445.487 4.783 50 0 IJAARN COc1ccccc1NC(=O)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064473338 568930407 /nfs/dbraw/zinc/93/04/07/568930407.db2.gz KMCQGZSJUSOXHL-UHFFFAOYSA-N 0 0 435.915 4.504 50 0 IJAARN CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064557958 568931902 /nfs/dbraw/zinc/93/19/02/568931902.db2.gz BMSNRRPVYLICDD-QFIPXVFZSA-N 0 0 433.529 4.889 50 0 IJAARN Cc1ccc(CN2C(=O)C(=O)C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064558325 568931999 /nfs/dbraw/zinc/93/19/99/568931999.db2.gz FOACSRSUZDTTNO-HSZRJFAPSA-N 0 0 447.556 4.939 50 0 IJAARN Cc1cccc(NC(=O)N2CCc3c(c(COCc4ccc(F)cc4Cl)nn3C)C2)c1 ZINC000064565832 568932712 /nfs/dbraw/zinc/93/27/12/568932712.db2.gz UFJWYNLTAXRWTG-UHFFFAOYSA-N 0 0 442.922 4.828 50 0 IJAARN COc1cccc2c(Nc3cccc(Cl)c3F)cc(C(=O)N3CCSCC3)nc12 ZINC000064568517 568933660 /nfs/dbraw/zinc/93/36/60/568933660.db2.gz CYZZYEHQFVTMLM-UHFFFAOYSA-N 0 0 431.920 4.969 50 0 IJAARN COc1cccc(Oc2cc(-c3cccc(C(=O)NCCc4ccccc4)c3)ncn2)c1 ZINC000064578483 568933851 /nfs/dbraw/zinc/93/38/51/568933851.db2.gz SKLUDPVFHNMSFQ-UHFFFAOYSA-N 0 0 425.488 4.917 50 0 biogenic IJAARN Cc1c(Cl)cccc1-n1ccn2c(SCc3ccc(F)cc3Cl)nnc2c1=O ZINC000064593759 568936040 /nfs/dbraw/zinc/93/60/40/568936040.db2.gz KUDAUCUIOVDJEX-UHFFFAOYSA-N 0 0 435.311 4.927 50 0 IJAARN Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n([C@H](C)C(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000064605372 568939658 /nfs/dbraw/zinc/93/96/58/568939658.db2.gz XJAYSRDYIQSPKU-LJQANCHMSA-N 0 0 446.551 4.630 50 0 IJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064656543 568942157 /nfs/dbraw/zinc/94/21/57/568942157.db2.gz ABTAANFUVXZIBP-SFHVURJKSA-N 0 0 427.547 4.844 50 0 IJAARN O=C1C[C@H](c2ccccc2Br)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656611 568942185 /nfs/dbraw/zinc/94/21/85/568942185.db2.gz PXGSFJUGADHBAO-CQSZACIVSA-N 0 0 448.363 4.818 50 0 IJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2c(S(=O)(=O)c3ccccc3)csc21 ZINC000064656571 568942228 /nfs/dbraw/zinc/94/22/28/568942228.db2.gz SILLWUQHYQFBCS-QGZVFWFLSA-N 0 0 427.547 4.842 50 0 IJAARN COc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C)c(C)c2)cc1 ZINC000064656881 568942292 /nfs/dbraw/zinc/94/22/92/568942292.db2.gz SQKBBNQBKYRHDL-GOSISDBHSA-N 0 0 427.547 4.680 50 0 IJAARN CCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2c3cccnc3sc2c1=O ZINC000064699713 568944375 /nfs/dbraw/zinc/94/43/75/568944375.db2.gz GRMJSSSDJIJELZ-UHFFFAOYSA-N 0 0 438.578 4.846 50 0 IJAARN CCc1ccccc1NC(=O)CSc1nnc2c3cc(-c4ccc(C)cc4)nn3ccn12 ZINC000064712266 568944836 /nfs/dbraw/zinc/94/48/36/568944836.db2.gz BZBSLHKTQLTYNR-UHFFFAOYSA-N 0 0 442.548 4.646 50 0 IJAARN Cc1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCCC(C)C)c2)c(C)c1 ZINC000036073216 568945637 /nfs/dbraw/zinc/94/56/37/568945637.db2.gz FXAITDUYPUSBQP-UHFFFAOYSA-N 0 0 434.540 4.709 50 0 IJAARN CCOC(=O)C1=C(COc2cc(Cl)ccc2Cl)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036083568 568947253 /nfs/dbraw/zinc/94/72/53/568947253.db2.gz YBDNGSHMXAFDBF-HXUWFJFHSA-N 0 0 449.334 4.894 50 0 IJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cc(Cl)ccc3OC)n2)c1 ZINC000064747460 568949891 /nfs/dbraw/zinc/94/98/91/568949891.db2.gz BMXJWBNLDSGNMO-KRWDZBQOSA-N 0 0 428.876 4.776 50 0 IJAARN CCc1ccc(NC(=O)Cn2cnc3c4ccc(-c5ccccc5)nc4sc3c2=O)cc1 ZINC000064746947 568950185 /nfs/dbraw/zinc/95/01/85/568950185.db2.gz DQSNATCSAZLJFD-UHFFFAOYSA-N 0 0 440.528 4.874 50 0 IJAARN O=C(Cn1cnc2c3ccc(-c4ccccc4)nc3sc2c1=O)Nc1cc(F)ccc1F ZINC000064746935 568950238 /nfs/dbraw/zinc/95/02/38/568950238.db2.gz BLSRHPHJDYTUAZ-UHFFFAOYSA-N 0 0 448.454 4.590 50 0 IJAARN Cc1cccc(NC(=O)c2cccc(N3C[C@H](C(=O)Nc4cc(C)ccc4C)CC3=O)c2)c1 ZINC000064754788 568950983 /nfs/dbraw/zinc/95/09/83/568950983.db2.gz WFUFPLZWFYJCSL-OAQYLSRUSA-N 0 0 441.531 4.856 50 0 IJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(=O)Nc4ccccc4)c3)C2)cc1Cl ZINC000064754627 568950996 /nfs/dbraw/zinc/95/09/96/568950996.db2.gz VNJJEIWLKITOET-SFHVURJKSA-N 0 0 447.922 4.892 50 0 IJAARN Cc1ccc(NC(=O)c2cccc(N3C[C@@H](C(=O)Nc4ccc(C)cc4)CC3=O)c2)cc1 ZINC000064754733 568951046 /nfs/dbraw/zinc/95/10/46/568951046.db2.gz ILIJTNABXNCJEO-FQEVSTJZSA-N 0 0 427.504 4.547 50 0 IJAARN CCc1ccc(CNC(=O)c2nnn(-c3ccc(SC)cc3)c2-c2ccccn2)cc1 ZINC000064757962 568952075 /nfs/dbraw/zinc/95/20/75/568952075.db2.gz CBSGDQFFICCOFO-UHFFFAOYSA-N 0 0 429.549 4.544 50 0 IJAARN CCOc1ccccc1-c1nc(Cn2ccn3nc(-c4cccs4)cc3c2=O)c(C)o1 ZINC000064775030 568954373 /nfs/dbraw/zinc/95/43/73/568954373.db2.gz VSOCSWRTQVUGBJ-UHFFFAOYSA-N 0 0 432.505 4.635 50 0 IJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)c1 ZINC000064775412 568954526 /nfs/dbraw/zinc/95/45/26/568954526.db2.gz XKXYTJQGQNCDNV-UHFFFAOYSA-N 0 0 427.599 4.814 50 0 IJAARN O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000064775765 568954886 /nfs/dbraw/zinc/95/48/86/568954886.db2.gz YLRKSVFOQSTORU-UHFFFAOYSA-N 0 0 442.540 4.521 50 0 IJAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000036115318 568955270 /nfs/dbraw/zinc/95/52/70/568955270.db2.gz NTHXVJLVCZSPMS-UHFFFAOYSA-N 0 0 446.594 4.640 50 0 IJAARN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)C1CC1 ZINC000036116823 568955748 /nfs/dbraw/zinc/95/57/48/568955748.db2.gz WPQBGCRZQBGOCG-JOCHJYFZSA-N 0 0 440.609 4.635 50 0 IJAARN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)c(C)c1 ZINC000036118657 568955948 /nfs/dbraw/zinc/95/59/48/568955948.db2.gz ZMNCSAFHOOWWPO-NRFANRHFSA-N 0 0 440.609 4.517 50 0 IJAARN COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4c(C)cc(C)cc4C)c(=O)n23)c1 ZINC000064788083 568956450 /nfs/dbraw/zinc/95/64/50/568956450.db2.gz YEPOQOYXTMSINN-UHFFFAOYSA-N 0 0 449.532 4.618 50 0 IJAARN CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3cc(OC)ccc3OC)n2c1=O ZINC000064788048 568956457 /nfs/dbraw/zinc/95/64/57/568956457.db2.gz LNSRTVNHSWKCBY-UHFFFAOYSA-N 0 0 449.532 4.563 50 0 IJAARN CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(C)C ZINC000036121382 568957880 /nfs/dbraw/zinc/95/78/80/568957880.db2.gz YZVPQQSPNZCYEK-OAQYLSRUSA-N 0 0 446.588 4.675 50 0 IJAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(N2CCOCC2)n1 ZINC000064801545 568961432 /nfs/dbraw/zinc/96/14/32/568961432.db2.gz VTGAHWJKCKQRCA-UHFFFAOYSA-N 0 0 438.919 4.663 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064800948 568961434 /nfs/dbraw/zinc/96/14/34/568961434.db2.gz MRSGSPLMZNVYFJ-UHFFFAOYSA-N 0 0 447.539 4.788 50 0 IJAARN CC[C@H](C)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722176 568962940 /nfs/dbraw/zinc/96/29/40/568962940.db2.gz CSICNFHWYFXSMW-KRWDZBQOSA-N 0 0 428.552 4.863 50 0 IJAARN Cc1cccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)c1C ZINC000064815877 568963631 /nfs/dbraw/zinc/96/36/31/568963631.db2.gz NTXPAXOMBJJQIN-XMMPIXPASA-N 0 0 436.581 4.562 50 0 IJAARN O=C(c1cccc(Cl)c1)N1CCS[C@]12c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152550 568963633 /nfs/dbraw/zinc/96/36/33/568963633.db2.gz OJOBTFLQTGQMAC-DEOSSOPVSA-N 0 0 434.948 4.929 50 0 IJAARN CCc1ccc(N2C(=O)c3cc(-c4cccs4)nn3C[C@]2(C)C(=O)NC(C)(C)C)cc1 ZINC000064815882 568963686 /nfs/dbraw/zinc/96/36/86/568963686.db2.gz ATJUJNHDDZIHQU-XMMPIXPASA-N 0 0 436.581 4.508 50 0 IJAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000064817453 568964455 /nfs/dbraw/zinc/96/44/55/568964455.db2.gz XAESBRBVINWYKA-UHFFFAOYSA-N 0 0 434.565 4.579 50 0 IJAARN CCn1nc(C)c2nc(SCc3c(F)cccc3Cl)n(Cc3ccco3)c(=O)c21 ZINC000064817513 568964676 /nfs/dbraw/zinc/96/46/76/568964676.db2.gz FAWBFJFXOQFCCA-UHFFFAOYSA-N 0 0 432.908 4.647 50 0 IJAARN Cc1cccc(NC(=O)c2ccc3c(c2)nc(N2CCCCC2)n(-c2ccccc2)c3=O)c1 ZINC000064819466 568966206 /nfs/dbraw/zinc/96/62/06/568966206.db2.gz BBTPCLAJBMLQLI-UHFFFAOYSA-N 0 0 438.531 4.937 50 0 IJAARN CC1(C)CN(C(=O)C2CC2)[C@]2(S1)c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155622 568966403 /nfs/dbraw/zinc/96/64/03/568966403.db2.gz BOJLEYPELMOSPL-QHCPKHFHSA-N 0 0 426.969 4.804 50 0 IJAARN CCN(CC)c1nc2cc(C(=O)Nc3cccc(F)c3)ccc2c(=O)n1Cc1ccccc1 ZINC000064819576 568966595 /nfs/dbraw/zinc/96/65/95/568966595.db2.gz LHVJOBNPZKMUEM-UHFFFAOYSA-N 0 0 444.510 4.682 50 0 IJAARN COc1cccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccc(C)cc2)C3=O)c1 ZINC000036164413 568968005 /nfs/dbraw/zinc/96/80/05/568968005.db2.gz LSHXQWADJQCPQB-AREMUKBSSA-N 0 0 444.556 4.592 50 0 IJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000036164332 568968079 /nfs/dbraw/zinc/96/80/79/568968079.db2.gz SAQKPWQKHUJGQA-VWLOTQADSA-N 0 0 432.520 4.723 50 0 IJAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)Nc3ccccc3C(F)(F)F)no2)c1 ZINC000064840328 568969778 /nfs/dbraw/zinc/96/97/78/568969778.db2.gz SODYRNWWRZATRV-UHFFFAOYSA-N 0 0 448.445 4.991 50 0 IJAARN CCOC(=O)C1=C(COc2ccc(C(C)C)cc2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000006740616 568970307 /nfs/dbraw/zinc/97/03/07/568970307.db2.gz UBXCJKDKRWNFJN-JOCHJYFZSA-N 0 0 426.488 4.541 50 0 IJAARN CCOC(=O)c1cccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000064848006 568971430 /nfs/dbraw/zinc/97/14/30/568971430.db2.gz HKOXZOSDAXXPDK-INIZCTEOSA-N 0 0 441.503 4.521 50 0 IJAARN CCCCN(CC)C(=O)CSc1cc(C)nc2c(-c3ccccc3OC)c(C)nn21 ZINC000006749974 568972257 /nfs/dbraw/zinc/97/22/57/568972257.db2.gz IYFHSFJKBPZOHW-UHFFFAOYSA-N 0 0 426.586 4.762 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1C ZINC000064862082 568973862 /nfs/dbraw/zinc/97/38/62/568973862.db2.gz TXPKKVBHUIXALG-UHFFFAOYSA-N 0 0 427.570 4.509 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(F)cc2F)=Nc2ccccc2N1 ZINC000064869708 568976383 /nfs/dbraw/zinc/97/63/83/568976383.db2.gz PDYNHPQJVWARFY-UHFFFAOYSA-N 0 0 431.464 4.629 50 0 IJAARN CCOC(=O)CC1=CC(SCC(=O)NCCC2=CCCCC2)=Nc2ccccc2N1 ZINC000064869805 568976467 /nfs/dbraw/zinc/97/64/67/568976467.db2.gz KEXGQDAQINZPCK-UHFFFAOYSA-N 0 0 427.570 4.719 50 0 IJAARN COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C3CCCCC3)n2)cc1OC ZINC000006756489 568977272 /nfs/dbraw/zinc/97/72/72/568977272.db2.gz XYUDCRQBSZSWFW-UHFFFAOYSA-N 0 0 425.485 4.630 50 0 IJAARN CN(c1ccccc1)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064871875 568977925 /nfs/dbraw/zinc/97/79/25/568977925.db2.gz MBQDBFXAKGXBLC-UHFFFAOYSA-N 0 0 440.468 4.844 50 0 IJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)cc1 ZINC000064872474 568978445 /nfs/dbraw/zinc/97/84/45/568978445.db2.gz RIPHPNHIMPYLLA-UHFFFAOYSA-N 0 0 432.543 4.939 50 0 IJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000064872424 568978458 /nfs/dbraw/zinc/97/84/58/568978458.db2.gz FQVSBDHQDXHWFV-UHFFFAOYSA-N 0 0 428.870 4.930 50 0 IJAARN CCCn1c(=O)[nH]c2cc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000064891167 568981195 /nfs/dbraw/zinc/98/11/95/568981195.db2.gz CZZPBNQTXGMBMY-UHFFFAOYSA-N 0 0 443.463 4.610 50 0 IJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccc(OC)c(OC)c2)cc1 ZINC000036247434 568982258 /nfs/dbraw/zinc/98/22/58/568982258.db2.gz KITHRELIZIXVAI-UHFFFAOYSA-N 0 0 447.940 4.761 50 0 IJAARN COc1cc(OC)cc(N(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248293 568982596 /nfs/dbraw/zinc/98/25/96/568982596.db2.gz MKUMKTXTQCKBFJ-UHFFFAOYSA-N 0 0 433.476 4.686 50 0 IJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)c1ccc(C)cc1 ZINC000036249380 568983234 /nfs/dbraw/zinc/98/32/34/568983234.db2.gz LEPSFYDLSOTPSS-FQEVSTJZSA-N 0 0 433.552 4.928 50 0 IJAARN Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000064924804 568986448 /nfs/dbraw/zinc/98/64/48/568986448.db2.gz IONWVORIGTWCSP-UHFFFAOYSA-N 0 0 446.599 4.964 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2c(F)cccc2F)s1 ZINC000064930205 568987970 /nfs/dbraw/zinc/98/79/70/568987970.db2.gz OXODRVAYCUCBEO-OAHLLOKOSA-N 0 0 448.882 4.699 50 0 IJAARN O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCN2C(=O)c2ccccc2F)s1 ZINC000064930168 568987975 /nfs/dbraw/zinc/98/79/75/568987975.db2.gz GFSYXPSTMAAHMG-MRXNPFEDSA-N 0 0 430.892 4.560 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000064930067 568988468 /nfs/dbraw/zinc/98/84/68/568988468.db2.gz NIBZMNHFWOSXCQ-QGZVFWFLSA-N 0 0 426.929 4.730 50 0 IJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930359 568988626 /nfs/dbraw/zinc/98/86/26/568988626.db2.gz RVIHPISEEZDGIO-KRWDZBQOSA-N 0 0 425.489 4.607 50 0 IJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)cc1C ZINC000064930346 568988645 /nfs/dbraw/zinc/98/86/45/568988645.db2.gz UQAVNZZVKGBLDV-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3cccc(F)c3)s2)c1 ZINC000064930376 568988654 /nfs/dbraw/zinc/98/86/54/568988654.db2.gz GSHVYNOUQXNNDE-QGZVFWFLSA-N 0 0 425.489 4.607 50 0 IJAARN O=C(Nc1ccc(Cl)cc1)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2)s1 ZINC000064930422 568988943 /nfs/dbraw/zinc/98/89/43/568988943.db2.gz HTBQGHZOLQIKKY-MRXNPFEDSA-N 0 0 427.917 4.813 50 0 IJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000064930380 568988955 /nfs/dbraw/zinc/98/89/55/568988955.db2.gz BZBVFSCSZNKUPA-GOSISDBHSA-N 0 0 439.516 4.861 50 0 IJAARN O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)s1 ZINC000064930642 568989046 /nfs/dbraw/zinc/98/90/46/568989046.db2.gz OCOSABARFMSUCB-INIZCTEOSA-N 0 0 427.917 4.813 50 0 IJAARN Cc1ccc(NC(=O)c2nnc([C@H]3CCCN3C(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000064930625 568989051 /nfs/dbraw/zinc/98/90/51/568989051.db2.gz ADZGWJSBEIGAAQ-GOSISDBHSA-N 0 0 439.516 4.915 50 0 IJAARN O=C(Nc1ccccc1F)c1nnc([C@H]2CCCN2C(=O)Nc2ccccc2Cl)s1 ZINC000064930797 568989272 /nfs/dbraw/zinc/98/92/72/568989272.db2.gz JTLJWDPQTYDJFN-MRXNPFEDSA-N 0 0 445.907 4.952 50 0 IJAARN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681204 568992802 /nfs/dbraw/zinc/99/28/02/568992802.db2.gz NWLFZWUIFYZUIJ-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN Cc1c(F)cccc1NC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000169681205 568992827 /nfs/dbraw/zinc/99/28/27/568992827.db2.gz YAFUIVBTTKMMDX-UHFFFAOYSA-N 0 0 444.441 4.536 50 0 IJAARN O=C(CSc1ccc(N2CCc3ccccc3C2)nn1)Nc1ccc(Cl)cc1F ZINC000064945460 568992962 /nfs/dbraw/zinc/99/29/62/568992962.db2.gz BTTZPIASZHWVRM-UHFFFAOYSA-N 0 0 428.920 4.563 50 0 IJAARN Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCCC4)sc32)cc1F ZINC000064944177 568993195 /nfs/dbraw/zinc/99/31/95/568993195.db2.gz NJAWGBZIJGSLOQ-UHFFFAOYSA-N 0 0 431.562 4.645 50 0 IJAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036303493 568993885 /nfs/dbraw/zinc/99/38/85/568993885.db2.gz QWWSUDDQLOPWDD-FQEVSTJZSA-N 0 0 443.975 4.846 50 0 IJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n2c1nnc2C(C)C ZINC000064949226 568994803 /nfs/dbraw/zinc/99/48/03/568994803.db2.gz AJOMJQZBPPVOAF-UHFFFAOYSA-N 0 0 441.944 4.794 50 0 IJAARN Cc1ccccc1NC(=O)CSc1nc2ccccc2n2c(-c3ccccc3)nnc12 ZINC000064949308 568995023 /nfs/dbraw/zinc/99/50/23/568995023.db2.gz WMVDTUVRBHVVLR-UHFFFAOYSA-N 0 0 425.517 4.984 50 0 IJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COCC(C)C)C1CC1 ZINC000036308456 568996367 /nfs/dbraw/zinc/99/63/67/568996367.db2.gz FIYYNRJDMNSSCL-XMMPIXPASA-N 0 0 449.595 4.971 50 0 IJAARN CC(C)(C)c1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036311290 568997093 /nfs/dbraw/zinc/99/70/93/568997093.db2.gz STMJZAJSZXQBIZ-VWLOTQADSA-N 0 0 447.623 4.939 50 0 IJAARN O=C(c1ccccc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312473 568997852 /nfs/dbraw/zinc/99/78/52/568997852.db2.gz SBFPUZKZFCKOLR-QFIPXVFZSA-N 0 0 431.536 4.763 50 0 IJAARN CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CCN(C)CC1)C(=O)C1CCCC1 ZINC000036313486 568998564 /nfs/dbraw/zinc/99/85/64/568998564.db2.gz KCMLVBMPRDTQIM-UHFFFAOYSA-N 0 0 438.616 4.658 50 0 IJAARN Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2cccs2)C(C)C)c1 ZINC000036314205 568998924 /nfs/dbraw/zinc/99/89/24/568998924.db2.gz LOMGXTILFAMENP-UHFFFAOYSA-N 0 0 425.554 4.599 50 0 IJAARN O=C(NCCc1ccccc1)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957111 568999424 /nfs/dbraw/zinc/99/94/24/568999424.db2.gz UDXRUVYDMXGADG-UHFFFAOYSA-N 0 0 440.547 4.565 50 0 IJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(NCc2ccccc2Cl)n1 ZINC000064960279 569000215 /nfs/dbraw/zinc/00/02/15/569000215.db2.gz QXDRJQVHKPRARB-UHFFFAOYSA-N 0 0 426.835 4.866 50 0 IJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1 ZINC000064977450 569077113 /nfs/dbraw/zinc/07/71/13/569077113.db2.gz FXBQSUFLXPEQTF-UHFFFAOYSA-N 0 0 426.476 4.573 50 0 IJAARN O=C(/C=C/c1ccccc1)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000064976693 569077118 /nfs/dbraw/zinc/07/71/18/569077118.db2.gz IRXXKZFRMPEZLK-RMKNXTFCSA-N 0 0 437.908 4.640 50 0 IJAARN Cc1ccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4c(C)cc(C)cc4C)ccc32)cc1 ZINC000064976967 569077361 /nfs/dbraw/zinc/07/73/61/569077361.db2.gz WHMJWRDFPNOLQA-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN Cc1cccc(C(=O)N2CCc3cc(CNS(=O)(=O)c4c(C)cc(C)cc4C)ccc32)c1 ZINC000064976985 569077367 /nfs/dbraw/zinc/07/73/67/569077367.db2.gz FNLZOJBKUNZFCD-UHFFFAOYSA-N 0 0 448.588 4.602 50 0 IJAARN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345899 569080816 /nfs/dbraw/zinc/08/08/16/569080816.db2.gz CAWATCGPQJISDG-HSZRJFAPSA-N 0 0 435.568 4.643 50 0 IJAARN CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346144 569081217 /nfs/dbraw/zinc/08/12/17/569081217.db2.gz FNWMSIQXKACRAK-HSZRJFAPSA-N 0 0 437.584 4.891 50 0 IJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 ZINC000036353318 569083984 /nfs/dbraw/zinc/08/39/84/569083984.db2.gz JPMROIWDRHDDAJ-UHFFFAOYSA-N 0 0 440.253 4.619 50 0 IJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 ZINC000036355008 569084364 /nfs/dbraw/zinc/08/43/64/569084364.db2.gz LTUVDPXSWPWFJV-UHFFFAOYSA-N 0 0 430.247 4.920 50 0 IJAARN Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1cccs1 ZINC000064998689 569085381 /nfs/dbraw/zinc/08/53/81/569085381.db2.gz HCQXCPSJFZKNIJ-UHFFFAOYSA-N 0 0 429.958 4.653 50 0 IJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NCc1ccc(C)cc1 ZINC000064998587 569085416 /nfs/dbraw/zinc/08/54/16/569085416.db2.gz VBPFTIJYRBKACZ-UHFFFAOYSA-N 0 0 431.565 4.863 50 0 IJAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999788 569086299 /nfs/dbraw/zinc/08/62/99/569086299.db2.gz GIYNFCXHWGGVTK-UHFFFAOYSA-N 0 0 430.526 4.591 50 0 IJAARN O=C(Nc1ccccc1F)c1ccc2c(c1)ncn(-c1cccc(C(F)(F)F)c1)c2=O ZINC000036359864 569086537 /nfs/dbraw/zinc/08/65/37/569086537.db2.gz SATNKIMCVJOGDW-UHFFFAOYSA-N 0 0 427.357 4.796 50 0 IJAARN C[C@H](C(=O)N1CCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005633 569087126 /nfs/dbraw/zinc/08/71/26/569087126.db2.gz MEKVGPCLOASKNO-SFHVURJKSA-N 0 0 431.536 4.606 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3nc(-c4oc5c(cccc5C)c4C)no3)C2)c1 ZINC000065010094 569088094 /nfs/dbraw/zinc/08/80/94/569088094.db2.gz FXJKHQUCHDZLJY-MRXNPFEDSA-N 0 0 447.491 4.747 50 0 IJAARN Cc1c2cc(C)c(C)c(S(=O)(=O)NC3CCCCCCC3)c2oc1C(=O)N1CCCC1 ZINC000065010447 569088104 /nfs/dbraw/zinc/08/81/04/569088104.db2.gz QCIJPBUVUOZXCF-UHFFFAOYSA-N 0 0 446.613 4.985 50 0 IJAARN COc1cccc([C@H](C)NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)c1 ZINC000065023814 569089429 /nfs/dbraw/zinc/08/94/29/569089429.db2.gz SUAFGTOJUAWJII-IBGZPJMESA-N 0 0 430.552 4.554 50 0 IJAARN Cc1ccc(NC(=O)COc2nc(C)nc3onc(-c4ccc(F)cc4)c32)c(Cl)c1 ZINC000065024730 569089722 /nfs/dbraw/zinc/08/97/22/569089722.db2.gz JFJUPJSJDDFKQR-UHFFFAOYSA-N 0 0 426.835 4.712 50 0 IJAARN O=C(NCc1ccccc1)c1cc(COc2ccc(NC(=O)c3ccccc3F)cc2)on1 ZINC000065027106 569090162 /nfs/dbraw/zinc/09/01/62/569090162.db2.gz VRTQSODPKWOMKI-UHFFFAOYSA-N 0 0 445.450 4.575 50 0 IJAARN CC1CCC(NC(=O)c2cc(COc3ccc(NC(=O)c4ccccc4)cc3)on2)CC1 ZINC000065027290 569090265 /nfs/dbraw/zinc/09/02/65/569090265.db2.gz PJHSQMROCIFLEZ-UHFFFAOYSA-N 0 0 433.508 4.814 50 0 IJAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(OC)c1 ZINC000065031555 569091424 /nfs/dbraw/zinc/09/14/24/569091424.db2.gz BMPUISAUQUSRFE-MRXNPFEDSA-N 0 0 429.476 4.720 50 0 IJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCOC(C)C)[C@H]1c1cccs1 ZINC000006875885 569095283 /nfs/dbraw/zinc/09/52/83/569095283.db2.gz VZCCDIDMWSEYKB-FCHUYYIVSA-N 0 0 428.598 4.616 50 0 IJAARN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000065058794 569095537 /nfs/dbraw/zinc/09/55/37/569095537.db2.gz ILOUWEMOEHJTRE-HSZRJFAPSA-N 0 0 429.948 4.607 50 0 IJAARN O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1)c1ccccc1F ZINC000065062696 569097330 /nfs/dbraw/zinc/09/73/30/569097330.db2.gz MISHWHMWLMIOPE-UHFFFAOYSA-N 0 0 447.510 4.682 50 0 IJAARN COc1ccc([C@@H]2CCCN2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1OC ZINC000036396179 569099000 /nfs/dbraw/zinc/09/90/00/569099000.db2.gz UOPDKYAWMCUXJI-QHCPKHFHSA-N 0 0 434.536 4.663 50 0 IJAARN CCc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2cccc(OC)c2)cc1 ZINC000065075309 569099667 /nfs/dbraw/zinc/09/96/67/569099667.db2.gz DJVDEHOLLMKXAM-HHHXNRCGSA-N 0 0 428.532 4.536 50 0 IJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4cccc(Cl)c4)cn23)cc1OC ZINC000065079342 569100820 /nfs/dbraw/zinc/10/08/20/569100820.db2.gz OQNPWSQJTYLLAF-UHFFFAOYSA-N 0 0 427.913 4.915 50 0 IJAARN COc1ccc(-c2cn3c(CC(=O)N4c5ccccc5C[C@@H]4C)csc3n2)cc1OC ZINC000065079553 569100978 /nfs/dbraw/zinc/10/09/78/569100978.db2.gz QDGLAZJQSZGYOQ-HNNXBMFYSA-N 0 0 433.533 4.600 50 0 IJAARN Cc1nn(-c2ccccc2)c2nc(N3CCC[C@H](C(=O)Nc4ccccc4C)C3)sc12 ZINC000065081289 569101473 /nfs/dbraw/zinc/10/14/73/569101473.db2.gz XRSUCNDBZQIMPC-SFHVURJKSA-N 0 0 431.565 4.954 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NC1CCCCCC1)CO2)c1ccc(Cl)cc1 ZINC000065082818 569102475 /nfs/dbraw/zinc/10/24/75/569102475.db2.gz NEHGCPUMJYUHKK-SFHVURJKSA-N 0 0 426.944 4.982 50 0 IJAARN Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2-c2ccncc2)cc1C ZINC000065082907 569102495 /nfs/dbraw/zinc/10/24/95/569102495.db2.gz MMSLAZBOXHSGLQ-UHFFFAOYSA-N 0 0 425.536 5.000 50 0 IJAARN O=C(Nc1ccc2c(c1)C[C@H](C(=O)NCCCc1ccccc1)CO2)c1ccc(Cl)cc1 ZINC000065082872 569102497 /nfs/dbraw/zinc/10/24/97/569102497.db2.gz HVPIPOPJQAAHBV-NRFANRHFSA-N 0 0 448.950 4.892 50 0 IJAARN Cc1ccc(CNC(=O)C2CCN(c3nccnc3Sc3ccc(C)cc3)CC2)cc1 ZINC000065102452 569106069 /nfs/dbraw/zinc/10/60/69/569106069.db2.gz AUWNDRHTKOVDCR-UHFFFAOYSA-N 0 0 432.593 4.777 50 0 IJAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4ccc(F)cc4)c4ccccc43)n2)c1 ZINC000065111328 569106403 /nfs/dbraw/zinc/10/64/03/569106403.db2.gz UXUZPLFGFWGEOJ-UHFFFAOYSA-N 0 0 427.439 4.840 50 0 IJAARN CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)/C=C/c4ccc(C)cc4)CC3)n2)c1 ZINC000065111416 569106413 /nfs/dbraw/zinc/10/64/13/569106413.db2.gz QXQWGEFVPKEVGJ-VAWYXSNFSA-N 0 0 444.535 4.813 50 0 IJAARN Cc1cccc(-c2noc(-c3nn(CC(=O)Nc4cccc(F)c4)c4ccccc43)n2)c1 ZINC000065111327 569106462 /nfs/dbraw/zinc/10/64/62/569106462.db2.gz MDESWOWYGLSEOI-UHFFFAOYSA-N 0 0 427.439 4.840 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)c(C)c1 ZINC000065112270 569108027 /nfs/dbraw/zinc/10/80/27/569108027.db2.gz ZWGXLHGIRIMWFB-UHFFFAOYSA-N 0 0 425.554 4.539 50 0 IJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000036425584 569108181 /nfs/dbraw/zinc/10/81/81/569108181.db2.gz FFWUSBLZMVKOIN-WNSKOXEYSA-N 0 0 437.590 4.521 50 0 IJAARN Cc1cc(Br)ccc1NC(=O)CSc1cc(N2CCCC[C@H]2C)ncn1 ZINC000065133550 569110086 /nfs/dbraw/zinc/11/00/86/569110086.db2.gz MXUXQXALEYTZBM-CQSZACIVSA-N 0 0 435.391 4.657 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CC[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)c1C ZINC000065136803 569110245 /nfs/dbraw/zinc/11/02/45/569110245.db2.gz CYLAEIHMCVMAMB-HSZRJFAPSA-N 0 0 448.611 4.676 50 0 IJAARN Cc1ccc(CNC(=O)CSc2nccc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000065151403 569111702 /nfs/dbraw/zinc/11/17/02/569111702.db2.gz MXCRQLNHWPOPQW-UHFFFAOYSA-N 0 0 446.620 4.653 50 0 IJAARN O=C(CSc1nccc(N2CCC(Cc3ccccc3)CC2)n1)Nc1ccccc1F ZINC000065151327 569111744 /nfs/dbraw/zinc/11/17/44/569111744.db2.gz YFNVYUQMZRKBHC-UHFFFAOYSA-N 0 0 436.556 4.806 50 0 IJAARN COc1ccc(-c2nc(CN3c4ccccc4[C@](O)(c4cccc(C)c4)C3=O)c(C)o2)cc1 ZINC000065154932 569112370 /nfs/dbraw/zinc/11/23/70/569112370.db2.gz RUGVVOWPDXJVOG-HHHXNRCGSA-N 0 0 440.499 4.750 50 0 IJAARN O=C(c1ccc(OCC2CCN(C(=O)c3ccccc3Cl)CC2)cc1)N1CCCCC1 ZINC000065179791 569113620 /nfs/dbraw/zinc/11/36/20/569113620.db2.gz CRVYIDJIAFYZIN-UHFFFAOYSA-N 0 0 440.971 4.897 50 0 IJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4ccc(F)cc4)o3)c2C)cc1F ZINC000065194979 569115231 /nfs/dbraw/zinc/11/52/31/569115231.db2.gz RGGCWOGWAAOEIT-UHFFFAOYSA-N 0 0 438.434 4.747 50 0 IJAARN CN(C(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1)C1CCCCC1 ZINC000065209859 569116595 /nfs/dbraw/zinc/11/65/95/569116595.db2.gz PJFLDHVLLNOQLN-UHFFFAOYSA-N 0 0 431.540 4.540 50 0 IJAARN CC[C@H](NC(=O)C1CCN(c2nnc(-c3ccc(C)cc3)o2)CC1)c1ccc(OC)cc1 ZINC000065229613 569118262 /nfs/dbraw/zinc/11/82/62/569118262.db2.gz IRLVUZJGRZMSMC-QFIPXVFZSA-N 0 0 434.540 4.538 50 0 IJAARN CCCN1c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2Sc2ncccc2C1=O ZINC000065241381 569120984 /nfs/dbraw/zinc/12/09/84/569120984.db2.gz IYXNSGCXIBCYBF-UHFFFAOYSA-N 0 0 433.489 4.584 50 0 IJAARN COc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)cc1OC ZINC000065241407 569121016 /nfs/dbraw/zinc/12/10/16/569121016.db2.gz KUHACPMHPLBHQS-UHFFFAOYSA-N 0 0 449.532 4.871 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000036616176 569122756 /nfs/dbraw/zinc/12/27/56/569122756.db2.gz ZGIVHSJFJGKSOB-OAHLLOKOSA-N 0 0 448.498 4.685 50 0 IJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)c1 ZINC000036613272 569123757 /nfs/dbraw/zinc/12/37/57/569123757.db2.gz YAZNPLDXILVVKJ-AWEZNQCLSA-N 0 0 435.455 4.846 50 0 IJAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c(C)n1 ZINC000036613425 569123823 /nfs/dbraw/zinc/12/38/23/569123823.db2.gz JLYYYNIINQWLAY-INIZCTEOSA-N 0 0 430.556 4.751 50 0 IJAARN CC[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036614109 569123942 /nfs/dbraw/zinc/12/39/42/569123942.db2.gz BWFDCTPRWWBZFE-YMJVSDDVSA-N 0 0 433.596 4.848 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258607 569124581 /nfs/dbraw/zinc/12/45/81/569124581.db2.gz XCEUAXZPRRWCNM-UHFFFAOYSA-N 0 0 433.533 4.927 50 0 IJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013130212 569125373 /nfs/dbraw/zinc/12/53/73/569125373.db2.gz XPYHOCHBZIWHEV-UHFFFAOYSA-N 0 0 444.512 4.566 50 0 IJAARN Cc1cccc(NC(=O)CCn2c3nn(CC(C)C)cc3c(C(F)(F)F)cc2=O)c1C ZINC000036621749 569126499 /nfs/dbraw/zinc/12/64/99/569126499.db2.gz ACEJTWFCDFRNAB-UHFFFAOYSA-N 0 0 434.462 4.518 50 0 IJAARN Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)N[C@H](C)c3ccc(C)cc3)sc12 ZINC000065294015 569131171 /nfs/dbraw/zinc/13/11/71/569131171.db2.gz QWSAQMSTWMNXDZ-QGZVFWFLSA-N 0 0 433.581 4.721 50 0 IJAARN CCOC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1O)C[C@H](c1ccccc1)N2 ZINC000065298512 569132045 /nfs/dbraw/zinc/13/20/45/569132045.db2.gz CMTNBRUOHZKURO-LJQANCHMSA-N 0 0 427.932 4.518 50 0 biogenic IJAARN Cc1nn(-c2ccc(F)cc2)c2nc(N3CCCN(C(=O)c4ccc(C)cc4)CC3)sc12 ZINC000065300101 569132243 /nfs/dbraw/zinc/13/22/43/569132243.db2.gz VVMLNMPEMJANSQ-UHFFFAOYSA-N 0 0 449.555 4.590 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000065320751 569136262 /nfs/dbraw/zinc/13/62/62/569136262.db2.gz GZEGYSZHIQXACL-GOSISDBHSA-N 0 0 431.945 4.841 50 0 IJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000065407614 569137987 /nfs/dbraw/zinc/13/79/87/569137987.db2.gz UHXWRGIUPIPJBX-UHFFFAOYSA-N 0 0 428.558 4.685 50 0 IJAARN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000036791512 569138068 /nfs/dbraw/zinc/13/80/68/569138068.db2.gz UJZIAROXAAROBD-SECBINFHSA-N 0 0 430.217 4.865 50 0 IJAARN O=c1n2nc(-c3cccc(F)c3)nc2c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000065502075 569138910 /nfs/dbraw/zinc/13/89/10/569138910.db2.gz RZPIPCQRIXCNQA-UHFFFAOYSA-N 0 0 438.384 4.917 50 0 IJAARN Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)n2c1 ZINC000065528971 569139144 /nfs/dbraw/zinc/13/91/44/569139144.db2.gz WGANULQCVRFQLE-NRFANRHFSA-N 0 0 440.503 4.680 50 0 IJAARN O=C(NCCNC(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)c1ccccc1 ZINC000170596099 569141876 /nfs/dbraw/zinc/14/18/76/569141876.db2.gz UAYNZTJOEQVWGV-UHFFFAOYSA-N 0 0 428.916 4.790 50 0 IJAARN Cc1ccc(-n2c(SCc3cc(Br)no3)nnc2-c2ccncc2)cc1C ZINC000170610400 569144891 /nfs/dbraw/zinc/14/48/91/569144891.db2.gz IISXFHNZTGOOLW-UHFFFAOYSA-N 0 0 442.342 4.989 50 0 IJAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000037279444 569145600 /nfs/dbraw/zinc/14/56/00/569145600.db2.gz IHMIBERHSYMJML-RUZDIDTESA-N 0 0 434.580 4.556 50 0 IJAARN COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NC(C)C)c2)c1 ZINC000037280353 569145848 /nfs/dbraw/zinc/14/58/48/569145848.db2.gz RQLJRDZFACYFJO-UHFFFAOYSA-N 0 0 430.548 4.918 50 0 IJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037280738 569146011 /nfs/dbraw/zinc/14/60/11/569146011.db2.gz BPVVKCKPUDUMJC-AHWVRZQESA-N 0 0 436.596 4.890 50 0 IJAARN C[C@H](NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)c1nc(C(C)(C)C)cs1 ZINC000170623333 569148221 /nfs/dbraw/zinc/14/82/21/569148221.db2.gz WATOAHNUQDJIFQ-LBPRGKRZSA-N 0 0 429.567 4.826 50 0 IJAARN COc1ccc(-c2nnc(SCCc3cnn(C)c3)n2C2CCCCC2)cc1OC ZINC000170631417 569148854 /nfs/dbraw/zinc/14/88/54/569148854.db2.gz LJIHMNVNBZQWJH-UHFFFAOYSA-N 0 0 427.574 4.536 50 0 IJAARN O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)C1c2ccccc2Oc2ccccc21 ZINC000009955916 569151273 /nfs/dbraw/zinc/15/12/73/569151273.db2.gz LQSGALOOVVWWPN-UHFFFAOYSA-N 0 0 444.512 4.616 50 0 IJAARN FC(F)(F)c1cccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000010036675 569151909 /nfs/dbraw/zinc/15/19/09/569151909.db2.gz MNDYGZQGGVSYGC-KRWDZBQOSA-N 0 0 431.414 4.864 50 0 IJAARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)c2ccccc2)n1C ZINC000010059049 569152105 /nfs/dbraw/zinc/15/21/05/569152105.db2.gz ZRDPWNPJSMZEGU-LJQANCHMSA-N 0 0 442.972 4.571 50 0 IJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC(Nc2ccc(Br)cc2)CC1 ZINC000010060492 569152626 /nfs/dbraw/zinc/15/26/26/569152626.db2.gz OVKVKQZZVCDNIF-UHFFFAOYSA-N 0 0 445.382 4.868 50 0 IJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217332 569153264 /nfs/dbraw/zinc/15/32/64/569153264.db2.gz KOTUVKBOOAHWBP-UHFFFAOYSA-N 0 0 437.546 4.764 50 0 IJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 ZINC000010217565 569153365 /nfs/dbraw/zinc/15/33/65/569153365.db2.gz MERQUBQQKJGIOP-KRWDZBQOSA-N 0 0 429.567 4.502 50 0 IJAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000010218544 569153525 /nfs/dbraw/zinc/15/35/25/569153525.db2.gz GNXFRMKUFUSFQI-UHFFFAOYSA-N 0 0 433.533 4.731 50 0 IJAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)Oc1cccnc1Br ZINC000071824320 569154643 /nfs/dbraw/zinc/15/46/43/569154643.db2.gz XOOAONJRZPGSBH-MDZDMXLPSA-N 0 0 432.705 4.670 50 0 IJAARN NC(=O)c1c2c(sc1NC(=O)c1cc(-c3cccnc3)nc3ccccc31)CCCC2 ZINC000013321317 569154979 /nfs/dbraw/zinc/15/49/79/569154979.db2.gz FESZNABUKDIOLB-UHFFFAOYSA-N 0 0 428.517 4.588 50 0 IJAARN O=Cc1cccc2c1ccn2C(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013575886 569155746 /nfs/dbraw/zinc/15/57/46/569155746.db2.gz OYSSNNVVQYAPDO-UHFFFAOYSA-N 0 0 439.467 4.967 50 0 IJAARN O=C(COC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2)c1ccccc1 ZINC000013575613 569155864 /nfs/dbraw/zinc/15/58/64/569155864.db2.gz QDELDHWXNYBRKB-UHFFFAOYSA-N 0 0 436.511 4.833 50 0 IJAARN O=C(Cc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1)NCc1cccs1 ZINC000013850403 569157286 /nfs/dbraw/zinc/15/72/86/569157286.db2.gz CYGNOJNVHSAGBJ-UHFFFAOYSA-N 0 0 436.558 4.561 50 0 IJAARN C[C@H](NC(=O)c1ccccc1I)c1ccc(Br)cc1 ZINC000014391451 569158900 /nfs/dbraw/zinc/15/89/00/569158900.db2.gz NZSHAERJIDVGNC-JTQLQIEISA-N 0 0 430.083 4.545 50 0 IJAARN Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)NC4(CCCCCCC4)C3=O)cc2)cc1 ZINC000089637041 569160056 /nfs/dbraw/zinc/16/00/56/569160056.db2.gz ACLZCZNULGCYEE-UHFFFAOYSA-N 0 0 435.524 4.761 50 0 IJAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cc(C)ccc3C)c2)c1 ZINC000089672867 569161174 /nfs/dbraw/zinc/16/11/74/569161174.db2.gz BXLKQBOELHMHJD-UHFFFAOYSA-N 0 0 444.578 4.522 50 0 IJAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000016843076 569163560 /nfs/dbraw/zinc/16/35/60/569163560.db2.gz MNQYIZKIQFUXFS-UHFFFAOYSA-N 0 0 428.444 4.657 50 0 IJAARN COc1ccc(-c2cc(OCC(=O)Nc3ccc(OC)cc3OC)c3ccccc3n2)cc1 ZINC000016843082 569163583 /nfs/dbraw/zinc/16/35/83/569163583.db2.gz XDPUOAZPHZRZPF-UHFFFAOYSA-N 0 0 444.487 4.945 50 0 IJAARN Cc1cccc(N2CCN(C(=O)CCc3csc4nc(-c5ccccc5)cn34)CC2)c1 ZINC000016848781 569164364 /nfs/dbraw/zinc/16/43/64/569164364.db2.gz YAPUDNHPVPWRIB-UHFFFAOYSA-N 0 0 430.577 4.653 50 0 IJAARN CC(C)CNC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 ZINC000089840242 569165647 /nfs/dbraw/zinc/16/56/47/569165647.db2.gz PELMWOANRITNPU-UHFFFAOYSA-N 0 0 439.562 4.572 50 0 IJAARN C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016891156 569165773 /nfs/dbraw/zinc/16/57/73/569165773.db2.gz NFUCENPJYVCNPX-KKSFZXQISA-N 0 0 429.586 4.631 50 0 IJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000089858354 569165850 /nfs/dbraw/zinc/16/58/50/569165850.db2.gz GVXCRWBFTJNZAN-JOCHJYFZSA-N 0 0 440.952 4.948 50 0 IJAARN C[C@H](CNC(=O)Nc1cccc(Cl)c1N1CCOCC1)c1nc2ccccc2s1 ZINC000089901166 569167049 /nfs/dbraw/zinc/16/70/49/569167049.db2.gz FXGXMZMGNOTKHD-CQSZACIVSA-N 0 0 430.961 4.712 50 0 IJAARN C[C@H]1CN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CCN1C(=O)NC1CCCCC1 ZINC000037357105 569173176 /nfs/dbraw/zinc/17/31/76/569173176.db2.gz FXFBUQNKOODNMH-HNNXBMFYSA-N 0 0 447.942 4.614 50 0 IJAARN CC(C)c1ccc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 ZINC000017113709 569174145 /nfs/dbraw/zinc/17/41/45/569174145.db2.gz BECAFOQUKUHRBP-INIZCTEOSA-N 0 0 449.623 4.663 50 0 IJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cccc(Br)c1 ZINC000017149844 569174866 /nfs/dbraw/zinc/17/48/66/569174866.db2.gz GQQMJJFIXHSDQR-UHFFFAOYSA-N 0 0 425.282 4.887 50 0 IJAARN O=C(Nc1ccc2sccc2c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000017170500 569175569 /nfs/dbraw/zinc/17/55/69/569175569.db2.gz AJCDVHTWXHIAHW-AWEZNQCLSA-N 0 0 440.999 4.798 50 0 IJAARN CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 ZINC000002091792 569178683 /nfs/dbraw/zinc/17/86/83/569178683.db2.gz IEQRLANAIYHJNB-IBGZPJMESA-N 0 0 437.492 4.800 50 0 biogenic IJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)c12 ZINC000002092289 569178854 /nfs/dbraw/zinc/17/88/54/569178854.db2.gz XLKFGMLQPYTTDF-QFIPXVFZSA-N 0 0 437.492 4.835 50 0 biogenic IJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000001088247 569180443 /nfs/dbraw/zinc/18/04/43/569180443.db2.gz WOEMVFJHQQTOBV-UHFFFAOYSA-N 0 0 429.545 4.987 50 0 IJAARN Nc1c2c(nn1-c1ccccc1Cl)nc(N1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037361025 569181551 /nfs/dbraw/zinc/18/15/51/569181551.db2.gz OGNCVTBFBXUVST-UHFFFAOYSA-N 0 0 425.323 4.972 50 0 IJAARN Cc1cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)c(C)c(=O)oc2c1 ZINC000002150294 569187277 /nfs/dbraw/zinc/18/72/77/569187277.db2.gz BZZOSFQOBCYGJB-OAQYLSRUSA-N 0 0 437.492 4.890 50 0 biogenic IJAARN CCOc1ccc2nc(SCC(=O)NCCc3c(C)[nH]c4ccccc43)sc2c1 ZINC000252490898 569187553 /nfs/dbraw/zinc/18/75/53/569187553.db2.gz LEJXXYCQVFFUPS-UHFFFAOYSA-N 0 0 425.579 4.936 50 0 IJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)c1 ZINC000002157393 569187577 /nfs/dbraw/zinc/18/75/77/569187577.db2.gz JAGMHCWWFUEGMY-UKILVPOCSA-N 0 0 437.499 4.655 50 0 biogenic IJAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C[C@H]1COc2ccccc2O1 ZINC000252523255 569189583 /nfs/dbraw/zinc/18/95/83/569189583.db2.gz CEUNOOFTTSORSQ-HNNXBMFYSA-N 0 0 439.924 4.865 50 0 IJAARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(C2SCCS2)c1 ZINC000015036795 569189718 /nfs/dbraw/zinc/18/97/18/569189718.db2.gz LQXPTBCWQNIBGO-UHFFFAOYSA-N 0 0 434.892 4.638 50 0 IJAARN CCCCCNC(=O)CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1CC ZINC000002184446 569190443 /nfs/dbraw/zinc/19/04/43/569190443.db2.gz UMQKFDKEHKPQAG-LFIBNONCSA-N 0 0 428.385 4.592 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(OC)c2)cc1 ZINC000002201675 569192525 /nfs/dbraw/zinc/19/25/25/569192525.db2.gz OJNUGVWIANCIDA-UHFFFAOYSA-N 0 0 430.504 4.940 50 0 IJAARN O=C(Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21)NCc1ccncc1 ZINC000037397017 569193197 /nfs/dbraw/zinc/19/31/97/569193197.db2.gz LQDVBPJTJKNKMR-UHFFFAOYSA-N 0 0 425.319 4.645 50 0 IJAARN COc1ccccc1-n1c(SCc2ccc(C(=O)NC3CC3)cc2)nnc1-c1ccco1 ZINC000037397799 569193855 /nfs/dbraw/zinc/19/38/55/569193855.db2.gz KLDSADYAMPWWGS-UHFFFAOYSA-N 0 0 446.532 4.720 50 0 IJAARN CCc1nc(-c2ccccc2)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(Cl)c1 ZINC000037398778 569194063 /nfs/dbraw/zinc/19/40/63/569194063.db2.gz JHFLNLAGUPMCJU-UHFFFAOYSA-N 0 0 434.971 4.619 50 0 IJAARN COc1cc(CNc2ccc(C(N)=O)cc2)cc(Br)c1OCc1ccccc1 ZINC000170686045 569195473 /nfs/dbraw/zinc/19/54/73/569195473.db2.gz WDICBRXBSLVFTE-UHFFFAOYSA-N 0 0 441.325 4.748 50 0 IJAARN CCNC(=O)N(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441335 569196745 /nfs/dbraw/zinc/19/67/45/569196745.db2.gz QNAWJWJPIALURW-KRWDZBQOSA-N 0 0 436.339 4.727 50 0 IJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)c2ccc(F)cc2)c1 ZINC000037442214 569197085 /nfs/dbraw/zinc/19/70/85/569197085.db2.gz PETZDPMUJZHEJV-UHFFFAOYSA-N 0 0 448.542 4.876 50 0 IJAARN C[C@H](NC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1)c1ccccc1 ZINC000037524427 569198604 /nfs/dbraw/zinc/19/86/04/569198604.db2.gz CKFBMLZQTGPMQM-IBGZPJMESA-N 0 0 445.538 4.716 50 0 IJAARN CCOC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2Cl)CC1 ZINC000037526408 569199218 /nfs/dbraw/zinc/19/92/18/569199218.db2.gz AMXHAOGNAFWPQN-UHFFFAOYSA-N 0 0 430.957 4.820 50 0 IJAARN CCCCNC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000037545912 569199729 /nfs/dbraw/zinc/19/97/29/569199729.db2.gz RYTWGYVPNQYVKC-QTGUNEKASA-N 0 0 425.548 4.966 50 0 IJAARN O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1 ZINC000037545888 569199778 /nfs/dbraw/zinc/19/97/78/569199778.db2.gz QLVLYFLXVDHBAO-JWQCQUIFSA-N 0 0 427.548 4.666 50 0 IJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NC[C@H]1CCCO1 ZINC000037547202 569200020 /nfs/dbraw/zinc/20/00/20/569200020.db2.gz ODFSJNFFFZXZIK-JOCHJYFZSA-N 0 0 437.515 4.648 50 0 IJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC ZINC000037547349 569200148 /nfs/dbraw/zinc/20/01/48/569200148.db2.gz GNSDNPHXGORFFI-UHFFFAOYSA-N 0 0 425.504 4.922 50 0 IJAARN COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2Cl)c1 ZINC000002211412 569201336 /nfs/dbraw/zinc/20/13/36/569201336.db2.gz CPYZEIKAXZMMRX-CKUXNOBLSA-N 0 0 429.944 4.866 50 0 IJAARN CCOC(=O)C1=C(CC)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000037576143 569201356 /nfs/dbraw/zinc/20/13/56/569201356.db2.gz QILUBEDFUHJABW-GOSISDBHSA-N 0 0 442.899 4.992 50 0 IJAARN CC[C@H](C)NC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 ZINC000002215525 569203263 /nfs/dbraw/zinc/20/32/63/569203263.db2.gz RNVVSCVRAJMGNG-NSHDSACASA-N 0 0 428.323 4.991 50 0 IJAARN CC[C@H](C(=O)N1CCN(c2cc(Oc3ccccc3OC)ncn2)C[C@@H]1C)c1ccccc1 ZINC000037623578 569203309 /nfs/dbraw/zinc/20/33/09/569203309.db2.gz SCZGKSHNSOVJLA-FPOVZHCZSA-N 0 0 446.551 4.508 50 0 IJAARN CCCCCCn1c(N)c(C(=O)NCc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002220073 569204313 /nfs/dbraw/zinc/20/43/13/569204313.db2.gz MKNDPLONCZSIAM-UHFFFAOYSA-N 0 0 431.540 4.686 50 0 IJAARN Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2c(C)cc(=O)oc2c1 ZINC000252694350 569210923 /nfs/dbraw/zinc/21/09/23/569210923.db2.gz JKYQGNQJXKZSKU-QAQDUYKDSA-N 0 0 429.513 4.646 50 0 biogenic IJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C ZINC000002638446 569211311 /nfs/dbraw/zinc/21/13/11/569211311.db2.gz BIMOIBLTSUDXKL-UHFFFAOYSA-N 0 0 429.549 4.736 50 0 IJAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2Cl)CCO1 ZINC000002235470 569212023 /nfs/dbraw/zinc/21/20/23/569212023.db2.gz TYGWRLZAQLXBAN-ZBEGNZNMSA-N 0 0 442.368 4.800 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(OC)cc1 ZINC000002690315 569212644 /nfs/dbraw/zinc/21/26/44/569212644.db2.gz GDCPHJAGPQQRBH-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN Cc1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1C ZINC000002264796 569216120 /nfs/dbraw/zinc/21/61/20/569216120.db2.gz QCLMRXPLJWETKW-UHFFFAOYSA-N 0 0 428.517 4.606 50 0 IJAARN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(Cl)c1)CCCC3 ZINC000002265495 569216199 /nfs/dbraw/zinc/21/61/99/569216199.db2.gz AWKKJVTWVCNWLC-UHFFFAOYSA-N 0 0 433.986 4.741 50 0 IJAARN Cc1cc(I)ccc1NC=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000027519206 569217865 /nfs/dbraw/zinc/21/78/65/569217865.db2.gz CCZVVALSMRAAPP-DHDCSXOGSA-N 0 0 438.652 4.510 50 0 IJAARN Cc1sc2nc(CS[C@H](C)C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)[nH]c(=O)c2c1C ZINC000029884906 569257534 /nfs/dbraw/zinc/25/75/34/569257534.db2.gz NWXZEAOFKIRIOY-DJSGYFEHSA-N 0 0 445.610 4.598 50 0 IJAARN COc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)C2CCC(C(C)(C)C)CC2)c1 ZINC000027527451 569263209 /nfs/dbraw/zinc/26/32/09/569263209.db2.gz PXRWPNZLKNJJFH-UHFFFAOYSA-N 0 0 433.552 4.995 50 0 IJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)c(OC)c1 ZINC000253397401 569264667 /nfs/dbraw/zinc/26/46/67/569264667.db2.gz BKSWLELRMKJRTE-IBGZPJMESA-N 0 0 428.440 4.918 50 0 biogenic IJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253403310 569265135 /nfs/dbraw/zinc/26/51/35/569265135.db2.gz HBPTZVVZNRXIEH-SFHVURJKSA-N 0 0 426.424 4.938 50 0 biogenic IJAARN O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253410126 569265705 /nfs/dbraw/zinc/26/57/05/569265705.db2.gz MWHJMHMLWIWGKD-SFHVURJKSA-N 0 0 426.424 4.672 50 0 biogenic IJAARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cnoc3-c3ccc(F)cc3Cl)C[C@@H]21 ZINC000253418310 569266646 /nfs/dbraw/zinc/26/66/46/569266646.db2.gz LQLHDFORJLYJLM-ULFGMLNVSA-N 0 0 449.910 4.509 50 0 IJAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)o1 ZINC000253419306 569266705 /nfs/dbraw/zinc/26/67/05/569266705.db2.gz MBBYXMPWARAMCQ-UHFFFAOYSA-N 0 0 434.399 4.544 50 0 IJAARN CCCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002291800 569268048 /nfs/dbraw/zinc/26/80/48/569268048.db2.gz LBWGIOSIVRCKPK-UHFFFAOYSA-N 0 0 428.323 4.993 50 0 IJAARN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000002292952 569268250 /nfs/dbraw/zinc/26/82/50/569268250.db2.gz XWMILEGNYIEOHX-UHFFFAOYSA-N 0 0 439.943 4.501 50 0 IJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCCCC3 ZINC000002301120 569271424 /nfs/dbraw/zinc/27/14/24/569271424.db2.gz VFRSEZPDWBYGRX-UHFFFAOYSA-N 0 0 428.579 4.680 50 0 IJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002316950 569272437 /nfs/dbraw/zinc/27/24/37/569272437.db2.gz HZEODNLLDDOKNT-KRWDZBQOSA-N 0 0 449.931 4.780 50 0 IJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000002313352 569273154 /nfs/dbraw/zinc/27/31/54/569273154.db2.gz WPQCZKRFIWZCIM-MRXNPFEDSA-N 0 0 440.594 4.613 50 0 IJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccccc2C)cc1 ZINC000002331168 569274564 /nfs/dbraw/zinc/27/45/64/569274564.db2.gz QWOCQFYEZFQONT-UHFFFAOYSA-N 0 0 425.488 4.777 50 0 IJAARN COc1ccc([C@H]2Oc3ccc(F)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002363152 569287730 /nfs/dbraw/zinc/28/77/30/569287730.db2.gz CTTVQNNUWJPABR-BJKOFHAPSA-N 0 0 426.451 4.639 50 0 IJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000002369916 569288777 /nfs/dbraw/zinc/28/87/77/569288777.db2.gz DCUTXYJFDIFGER-OXJNMPFZSA-N 0 0 445.585 4.672 50 0 IJAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002376651 569289447 /nfs/dbraw/zinc/28/94/47/569289447.db2.gz RXLHARUYJJDEBR-NRFANRHFSA-N 0 0 449.503 4.591 50 0 IJAARN CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002389469 569296177 /nfs/dbraw/zinc/29/61/77/569296177.db2.gz LVDVACQOTBFVQC-CLOONOSVSA-N 0 0 426.291 4.926 50 0 IJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOCCOc2cc(C)ccc2C)cc1 ZINC000002427302 569302657 /nfs/dbraw/zinc/30/26/57/569302657.db2.gz YSFQADNKXDIKGI-UHFFFAOYSA-N 0 0 444.531 4.785 50 0 IJAARN CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002438367 569303908 /nfs/dbraw/zinc/30/39/08/569303908.db2.gz HEBAEZFCXARGLU-MKGTUJQCSA-N 0 0 446.012 4.867 50 0 IJAARN Cc1ccc(-n2ncc3c4nc(-c5cc6ccccc6cc5O)nn4cnc32)cc1Cl ZINC000002441149 569304107 /nfs/dbraw/zinc/30/41/07/569304107.db2.gz KLZIOLTUCCWCQX-UHFFFAOYSA-N 0 0 426.867 4.951 50 0 IJAARN CC1(C)Cc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)nc(N)c32)CO1 ZINC000002448937 569304682 /nfs/dbraw/zinc/30/46/82/569304682.db2.gz CVKXOIBXNNARDX-UHFFFAOYSA-N 0 0 434.974 4.509 50 0 IJAARN Cc1nc2[nH]c(SCC(=O)Nc3cccc(Cl)c3C)nc2cc1Br ZINC000002453129 569305434 /nfs/dbraw/zinc/30/54/34/569305434.db2.gz DBUIKURVQHEBNV-UHFFFAOYSA-N 0 0 425.739 4.721 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 ZINC000013009928 569306725 /nfs/dbraw/zinc/30/67/25/569306725.db2.gz KPPGUSFVYXLRQM-UHFFFAOYSA-N 0 0 429.484 4.675 50 0 IJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000013095776 569309482 /nfs/dbraw/zinc/30/94/82/569309482.db2.gz GDBXHVVNRYUMON-UHFFFAOYSA-N 0 0 426.460 4.522 50 0 IJAARN Cc1ccc2nc(COC(=O)c3oc4ccccc4c3COc3ccccc3)cc(=O)n2c1 ZINC000013097359 569309835 /nfs/dbraw/zinc/30/98/35/569309835.db2.gz IGZIXXWCTJUCIC-UHFFFAOYSA-N 0 0 440.455 4.685 50 0 IJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)c1ccccc1Cl ZINC000013109269 569310258 /nfs/dbraw/zinc/31/02/58/569310258.db2.gz VAVWJQGHLZMBMR-HSZRJFAPSA-N 0 0 432.907 4.906 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c(C)n1Cc1cccs1 ZINC000013115414 569310896 /nfs/dbraw/zinc/31/08/96/569310896.db2.gz YLDQVDPQSVVJEZ-UHFFFAOYSA-N 0 0 442.635 4.971 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCCOc2ccc(C)cc2)cc1OC ZINC000013141802 569311766 /nfs/dbraw/zinc/31/17/66/569311766.db2.gz CHBCGSBWYHPLMM-UHFFFAOYSA-N 0 0 448.544 4.882 50 0 IJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2=O)cc1C ZINC000013350178 569313165 /nfs/dbraw/zinc/31/31/65/569313165.db2.gz AWMILCCRBXYBKT-OAHLLOKOSA-N 0 0 447.482 4.987 50 0 IJAARN O=C(NCc1csc(-c2cccs2)n1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000013354060 569313419 /nfs/dbraw/zinc/31/34/19/569313419.db2.gz ZHVJKXBABHZGHB-UHFFFAOYSA-N 0 0 445.997 4.694 50 0 IJAARN Cc1cccc(NC(=O)N2CCC(C(=O)NCc3csc(-c4ccccc4)n3)CC2)c1 ZINC000013354585 569313464 /nfs/dbraw/zinc/31/34/64/569313464.db2.gz JYMZYNMIMYLGNF-UHFFFAOYSA-N 0 0 434.565 4.679 50 0 IJAARN Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Nc4ccc(F)cc4F)cc32)cc1 ZINC000013355967 569313517 /nfs/dbraw/zinc/31/35/17/569313517.db2.gz OURNIWUSIYKVSE-UHFFFAOYSA-N 0 0 443.475 4.669 50 0 IJAARN O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000013359740 569313836 /nfs/dbraw/zinc/31/38/36/569313836.db2.gz KGEKNHMAVIAZBA-UHFFFAOYSA-N 0 0 445.903 4.875 50 0 IJAARN CCCN(C(=O)CCCC(=O)OC)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013364390 569314228 /nfs/dbraw/zinc/31/42/28/569314228.db2.gz NFQGNBAGFLNRPO-UHFFFAOYSA-N 0 0 425.348 4.659 50 0 IJAARN Cc1cccc(CCNC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000013366301 569314324 /nfs/dbraw/zinc/31/43/24/569314324.db2.gz MHRHSOXAMXPOHT-VWLOTQADSA-N 0 0 444.600 4.612 50 0 IJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)Nc2ccccc2[S@](C)=O)s1 ZINC000078899489 569320125 /nfs/dbraw/zinc/32/01/25/569320125.db2.gz ZYVFVLOMPXDGQY-GDLZYMKVSA-N 0 0 443.575 4.875 50 0 IJAARN CCOc1cc(C(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc(OCC)c1OCC ZINC000078967000 569320679 /nfs/dbraw/zinc/32/06/79/569320679.db2.gz VQKXAALWEVTYLV-NFBKMPQASA-N 0 0 427.541 4.841 50 0 IJAARN COC(=O)c1ccc(-c2nc(CN3C[C@H](C)CN(C(C)=O)c4ccccc43)cs2)cc1 ZINC000078970454 569321027 /nfs/dbraw/zinc/32/10/27/569321027.db2.gz YUEFPNGIXYHHFU-INIZCTEOSA-N 0 0 435.549 4.606 50 0 IJAARN CC(C)c1noc(CCC(=O)N2C[C@H](C)CN(C(=O)OC(C)(C)C)c3ccccc32)n1 ZINC000078985874 569321332 /nfs/dbraw/zinc/32/13/32/569321332.db2.gz CXVGKDZJNBREGT-INIZCTEOSA-N 0 0 428.533 4.550 50 0 IJAARN COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)c(OC)c1 ZINC000027924697 569321729 /nfs/dbraw/zinc/32/17/29/569321729.db2.gz SQDXVRUBNCITEU-UHFFFAOYSA-N 0 0 430.302 4.521 50 0 IJAARN CO[C@H](C)c1noc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n1 ZINC000079015642 569321973 /nfs/dbraw/zinc/32/19/73/569321973.db2.gz IFMJKDPPHBYMOL-SNVBAGLBSA-N 0 0 441.340 4.702 50 0 IJAARN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)N(CCO)[C@H]1CCc2ccccc21 ZINC000079019718 569322324 /nfs/dbraw/zinc/32/23/24/569322324.db2.gz BKGVWSUEBADYPE-DLLPINGYSA-N 0 0 434.561 4.508 50 0 IJAARN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000079020893 569322422 /nfs/dbraw/zinc/32/24/22/569322422.db2.gz JIIPIIKBXDHKLE-HSZRJFAPSA-N 0 0 426.520 4.697 50 0 IJAARN O=C(CCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccc(Br)cc1 ZINC000079045415 569323100 /nfs/dbraw/zinc/32/31/00/569323100.db2.gz SRUAABSURDRTGD-AEFFLSMTSA-N 0 0 436.371 4.588 50 0 IJAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(C(=O)C[C@@H](C)c4ccccc4)CC3)o2)cc1C ZINC000079102139 569325477 /nfs/dbraw/zinc/32/54/77/569325477.db2.gz YQSRDTQJEMYZJP-RTWAWAEBSA-N 0 0 432.568 4.752 50 0 IJAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN1CCN(c2ccccc2)CC1 ZINC000019793354 569329410 /nfs/dbraw/zinc/32/94/10/569329410.db2.gz NBEAYVAVCPHRSS-UHFFFAOYSA-N 0 0 439.559 4.738 50 0 IJAARN CN1CCc2nc3sc(C(=O)c4ccc5c(c4)OCO5)c(N)c3c(-c3cccs3)c2C1 ZINC000020000443 569332365 /nfs/dbraw/zinc/33/23/65/569332365.db2.gz FKDAKFILZISFJH-UHFFFAOYSA-N 0 0 449.557 4.555 50 0 IJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020069359 569333248 /nfs/dbraw/zinc/33/32/48/569333248.db2.gz DNHHPJWNRXSIPW-ROUUACIJSA-N 0 0 436.581 4.591 50 0 IJAARN C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NC2CCCCCCC2)C[C@@H](C)O1 ZINC000020069442 569333264 /nfs/dbraw/zinc/33/32/64/569333264.db2.gz NATWJVOGPCZVPB-QZTJIDSGSA-N 0 0 442.629 4.565 50 0 IJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCc1ccccc1 ZINC000020181185 569355297 /nfs/dbraw/zinc/35/52/97/569355297.db2.gz RNCXLRPOFDJWDB-KQWNVCNZSA-N 0 0 432.520 4.664 50 0 IJAARN CSc1ccc(-c2nc(CSCC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 ZINC000020241225 569357861 /nfs/dbraw/zinc/35/78/61/569357861.db2.gz LVZZSLUIQIPLOV-UHFFFAOYSA-N 0 0 442.562 4.650 50 0 IJAARN CCCCN(C)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242729 569358331 /nfs/dbraw/zinc/35/83/31/569358331.db2.gz KAIHWOCZWWWMIC-JGCGQSQUSA-N 0 0 446.572 4.886 50 0 IJAARN CCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000020279991 569358668 /nfs/dbraw/zinc/35/86/68/569358668.db2.gz KACNRNFGYQFNHT-UHFFFAOYSA-N 0 0 439.991 4.799 50 0 IJAARN COc1ccc(/N=c2\oc3c(cccc3OC)cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020285552 569359081 /nfs/dbraw/zinc/35/90/81/569359081.db2.gz ZAOTWYNEDWPRLE-IZHYLOQSSA-N 0 0 435.501 4.824 50 0 IJAARN FC(F)(F)c1cccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc43)CC2)c1 ZINC000020354995 569361268 /nfs/dbraw/zinc/36/12/68/569361268.db2.gz PBGGTBCALLLFEL-UHFFFAOYSA-N 0 0 449.480 4.961 50 0 IJAARN C[C@H](NC(=O)Nc1cccc2cccnc21)c1cc2c(cc1Br)OCCO2 ZINC000095352040 569362175 /nfs/dbraw/zinc/36/21/75/569362175.db2.gz ZZIIZQSZPQCXHS-LBPRGKRZSA-N 0 0 428.286 4.651 50 0 IJAARN O=C(Nc1ccccc1)N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F ZINC000020387848 569363234 /nfs/dbraw/zinc/36/32/34/569363234.db2.gz VIWUIMYBGLRHKG-UHFFFAOYSA-N 0 0 445.494 4.885 50 0 IJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020417002 569364768 /nfs/dbraw/zinc/36/47/68/569364768.db2.gz XDIRTBFXJLDSIA-PMAPCBKXSA-N 0 0 434.584 4.525 50 0 IJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000095451220 569367798 /nfs/dbraw/zinc/36/77/98/569367798.db2.gz JAMWSSANMSMGEJ-LPHOPBHVSA-N 0 0 432.854 4.540 50 0 IJAARN CC[C@@]1(C(=O)Nc2ccc(N3CCSCC3)cc2C)CCCN1C(=O)OC(C)(C)C ZINC000095458724 569369179 /nfs/dbraw/zinc/36/91/79/569369179.db2.gz CSATUEVSTCKLJC-QHCPKHFHSA-N 0 0 433.618 4.666 50 0 IJAARN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCc1ccnc(NC2CC2)c1 ZINC000095464995 569370654 /nfs/dbraw/zinc/37/06/54/569370654.db2.gz VYSVBVNJFHGNQB-UHFFFAOYSA-N 0 0 444.366 4.624 50 0 IJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000095475026 569372607 /nfs/dbraw/zinc/37/26/07/569372607.db2.gz OJAXOPYCUPNWGW-BFUOFWGJSA-N 0 0 447.557 4.631 50 0 IJAARN COc1cc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Cl)cc4)c32)cc(OC)c1O ZINC000095478086 569373375 /nfs/dbraw/zinc/37/33/75/569373375.db2.gz HNQHDLCVERRLNW-LJQANCHMSA-N 0 0 431.901 4.673 50 0 IJAARN CC(C)(C)OC(=O)C1CCC(NC(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000095983023 569377911 /nfs/dbraw/zinc/37/79/11/569377911.db2.gz ZPFCQFRLHNHYNM-UHFFFAOYSA-N 0 0 428.554 4.631 50 0 IJAARN CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(OCC(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CCO1 ZINC000095993992 569378461 /nfs/dbraw/zinc/37/84/61/569378461.db2.gz MSCMJAOKTIGABD-PDXXHEQOSA-N 0 0 444.616 4.569 50 0 IJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(CNC(N)=O)cc2)cc1C ZINC000095997191 569378942 /nfs/dbraw/zinc/37/89/42/569378942.db2.gz LKHLSNLCXFCBEQ-UHFFFAOYSA-N 0 0 425.536 4.937 50 0 IJAARN Cc1cc(Br)cc(C)c1NCc1nccn1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000096012846 569380139 /nfs/dbraw/zinc/38/01/39/569380139.db2.gz NLSMKIAOSKQFSE-IAGOWNOFSA-N 0 0 433.394 4.664 50 0 IJAARN Cc1s/c(=N\C(=O)c2cccc(C)c2)n(Cc2ccccc2C(=O)N2CCCC2)c1C ZINC000096096065 569381047 /nfs/dbraw/zinc/38/10/47/569381047.db2.gz HVSPBSWVEZKJEO-QPLCGJKRSA-N 0 0 433.577 4.500 50 0 IJAARN CNC(=O)c1cccc(Cn2c3ccccc3s/c2=N\C(=O)c2cccc(Cl)c2)c1 ZINC000096095944 569381106 /nfs/dbraw/zinc/38/11/06/569381106.db2.gz HBYGKULESAYWDP-RWEWTDSWSA-N 0 0 435.936 4.505 50 0 IJAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096923 569381300 /nfs/dbraw/zinc/38/13/00/569381300.db2.gz KTYMGPYIWGNLEJ-UHFFFAOYSA-N 0 0 444.354 4.651 50 0 IJAARN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@H](c1cccc3nccnc31)CC(=O)O2 ZINC000096113710 569382538 /nfs/dbraw/zinc/38/25/38/569382538.db2.gz UUFICDOYPMPUFA-INIZCTEOSA-N 0 0 436.423 4.550 50 0 biogenic IJAARN O=C(Nc1ccccc1)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1C1=Cc2ccccc2OC1 ZINC000096115500 569383249 /nfs/dbraw/zinc/38/32/49/569383249.db2.gz QUSRTUXFOXMSAD-DHLKQENFSA-N 0 0 437.451 4.752 50 0 biogenic IJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc(Cl)cc3c2OCOC3)S1 ZINC000096116681 569383762 /nfs/dbraw/zinc/38/37/62/569383762.db2.gz NZFNCZMJHHAUTC-KDOFPFPSSA-N 0 0 449.960 4.713 50 0 IJAARN CCc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)o1 ZINC000096129981 569385849 /nfs/dbraw/zinc/38/58/49/569385849.db2.gz HCVALECTNSHIKM-XNTDXEJSSA-N 0 0 439.320 4.615 50 0 IJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cn(C(C)C)c(=O)c2ccccc12 ZINC000096222225 569386987 /nfs/dbraw/zinc/38/69/87/569386987.db2.gz VDJOTUKWDUQWPK-QHCPKHFHSA-N 0 0 429.520 4.880 50 0 biogenic IJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1OC ZINC000096222764 569387219 /nfs/dbraw/zinc/38/72/19/569387219.db2.gz YNQKSEQWHUMSCZ-GOSISDBHSA-N 0 0 444.439 4.624 50 0 biogenic IJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)COCc1ccccc1 ZINC000096276242 569388491 /nfs/dbraw/zinc/38/84/91/569388491.db2.gz CGFGCDYBOOULDP-QGZVFWFLSA-N 0 0 427.932 4.776 50 0 IJAARN O=C(c1cccs1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1 ZINC000096278669 569389080 /nfs/dbraw/zinc/38/90/80/569389080.db2.gz MXDFLUVIANOHAI-UHFFFAOYSA-N 0 0 425.510 4.544 50 0 IJAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)N1CCSCC1 ZINC000096280578 569389661 /nfs/dbraw/zinc/38/96/61/569389661.db2.gz QIKMCUNBGOWLBJ-UHFFFAOYSA-N 0 0 439.556 4.929 50 0 IJAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2)C(=O)NCCC(C)C ZINC000096281173 569389854 /nfs/dbraw/zinc/38/98/54/569389854.db2.gz KVFPRNSHOWVRHT-UIOOFZCWSA-N 0 0 448.607 4.890 50 0 IJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F ZINC000096316758 569392889 /nfs/dbraw/zinc/39/28/89/569392889.db2.gz MAEXHOSGROYVMM-UHFFFAOYSA-N 0 0 441.595 4.522 50 0 IJAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000096317279 569393207 /nfs/dbraw/zinc/39/32/07/569393207.db2.gz OQDAUBURWUSRMU-LJQANCHMSA-N 0 0 437.632 4.828 50 0 IJAARN CCc1nc(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1cc(C)ccc1C ZINC000096317335 569393281 /nfs/dbraw/zinc/39/32/81/569393281.db2.gz WRERMYODLIVKKM-UHFFFAOYSA-N 0 0 432.612 4.573 50 0 IJAARN CCOc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccc(C)cc4)nn32)C1 ZINC000096323855 569395613 /nfs/dbraw/zinc/39/56/13/569395613.db2.gz SQMGBVOATWZTEG-UHFFFAOYSA-N 0 0 433.537 4.755 50 0 IJAARN COc1cc(OC)c(NC(=O)CSc2nccnc2Oc2ccccc2)cc1Cl ZINC000096332619 569396539 /nfs/dbraw/zinc/39/65/39/569396539.db2.gz XELHMIMCNLHTBI-UHFFFAOYSA-N 0 0 431.901 4.670 50 0 IJAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCSCC3)c2)c(C)c1 ZINC000096386642 569398656 /nfs/dbraw/zinc/39/86/56/569398656.db2.gz UUJGEIKYQIWSEX-UHFFFAOYSA-N 0 0 435.553 4.658 50 0 IJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cc(OC)ccc4OC)CC3)[nH]n2)c1 ZINC000096386799 569398773 /nfs/dbraw/zinc/39/87/73/569398773.db2.gz LZRAQSSNALBVDB-UHFFFAOYSA-N 0 0 436.512 4.514 50 0 IJAARN CCOc1cccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(Cl)cc2)c1 ZINC000096387137 569398890 /nfs/dbraw/zinc/39/88/90/569398890.db2.gz LESMFKRDEISTIK-NRFANRHFSA-N 0 0 435.911 4.542 50 0 IJAARN COc1cccc2c1Oc1ccccc1N=C2N1CCCN(C(=O)c2cccs2)CC1 ZINC000096499414 569401034 /nfs/dbraw/zinc/40/10/34/569401034.db2.gz QTZSTTRJZXFGSG-UHFFFAOYSA-N 0 0 433.533 4.789 50 0 IJAARN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000002468139 569403964 /nfs/dbraw/zinc/40/39/64/569403964.db2.gz TULUGADKNDNPRY-UHFFFAOYSA-N 0 0 442.338 4.818 50 0 IJAARN CC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)cc1 ZINC000027970073 569404855 /nfs/dbraw/zinc/40/48/55/569404855.db2.gz PASJOOYTXAUZIF-UHFFFAOYSA-N 0 0 426.314 4.766 50 0 IJAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N[C@H](c1cccnc1)C1CCOCC1 ZINC000225619881 569405849 /nfs/dbraw/zinc/40/58/49/569405849.db2.gz USCQQFGEBZGRRR-FQEVSTJZSA-N 0 0 426.866 4.971 50 0 IJAARN COc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2C)n(C)c(=O)n3C)cc1 ZINC000028049314 569406688 /nfs/dbraw/zinc/40/66/88/569406688.db2.gz CHKYKFWTGFRBKM-UHFFFAOYSA-N 0 0 433.533 4.598 50 0 IJAARN Cn1c2cc(NC(=O)c3c(F)cccc3F)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049133 569406741 /nfs/dbraw/zinc/40/67/41/569406741.db2.gz GLKBIHLZCYJVRV-UHFFFAOYSA-N 0 0 425.460 4.559 50 0 IJAARN COc1ccc(Br)c(C(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)c1 ZINC000225682178 569406938 /nfs/dbraw/zinc/40/69/38/569406938.db2.gz ALOFSBIAULJDBL-CYBMUJFWSA-N 0 0 438.387 4.814 50 0 IJAARN O=C(CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)N1CCc2ccccc21 ZINC000002618908 569410468 /nfs/dbraw/zinc/41/04/68/569410468.db2.gz LAAMFFDSZYRAEG-UHFFFAOYSA-N 0 0 447.947 4.721 50 0 IJAARN Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1C[C@H]1CCCO1 ZINC000002618218 569410508 /nfs/dbraw/zinc/41/05/08/569410508.db2.gz LTOJKOHILZLEAS-OAQYLSRUSA-N 0 0 427.516 4.661 50 0 IJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000002619186 569410562 /nfs/dbraw/zinc/41/05/62/569410562.db2.gz XQTZIIPOMXPIMI-HXUWFJFHSA-N 0 0 436.895 4.611 50 0 IJAARN CCOCCCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2ccccc2c1=O ZINC000002620870 569411118 /nfs/dbraw/zinc/41/11/18/569411118.db2.gz ZJWFIJRZRQIIBA-UHFFFAOYSA-N 0 0 435.549 4.588 50 0 IJAARN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000002626711 569411713 /nfs/dbraw/zinc/41/17/13/569411713.db2.gz TUMBSLFFTOTRLT-UHFFFAOYSA-N 0 0 425.131 4.955 50 0 IJAARN COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)c1 ZINC000002629012 569411984 /nfs/dbraw/zinc/41/19/84/569411984.db2.gz XICBBUUEPQATQL-UHFFFAOYSA-N 0 0 433.327 4.771 50 0 IJAARN Cc1cc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)n1C[C@@H]1CCCO1 ZINC000002630014 569412257 /nfs/dbraw/zinc/41/22/57/569412257.db2.gz SCVKUVPXJQDSSJ-QHCPKHFHSA-N 0 0 431.532 4.842 50 0 IJAARN COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000002630544 569412340 /nfs/dbraw/zinc/41/23/40/569412340.db2.gz AYYJKOMYZJFLHN-UHFFFAOYSA-N 0 0 442.471 4.715 50 0 IJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000002636042 569413058 /nfs/dbraw/zinc/41/30/58/569413058.db2.gz NKTMYTCUFHSGEA-UHFFFAOYSA-N 0 0 435.427 4.805 50 0 IJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000002646118 569414244 /nfs/dbraw/zinc/41/42/44/569414244.db2.gz FDMMBYQEKXPLLD-NRFANRHFSA-N 0 0 440.421 4.791 50 0 IJAARN CCOc1ccc2nc(NC(=O)COc3ccc(N(C)C(=O)C(C)(C)C)cc3)sc2c1 ZINC000002659850 569415936 /nfs/dbraw/zinc/41/59/36/569415936.db2.gz VXRCSNOTACBRKP-UHFFFAOYSA-N 0 0 441.553 4.721 50 0 IJAARN O=C(Nc1nccs1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000002663636 569416364 /nfs/dbraw/zinc/41/63/64/569416364.db2.gz WKMYPFPNJBEQQU-UHFFFAOYSA-N 0 0 449.557 4.791 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002687683 569416855 /nfs/dbraw/zinc/41/68/55/569416855.db2.gz AHBXDKHGSGVZSA-UHFFFAOYSA-N 0 0 445.446 4.547 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1OC ZINC000002690306 569416971 /nfs/dbraw/zinc/41/69/71/569416971.db2.gz GPDWDJXAIHTOPB-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN Cc1nn(C)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)c1Br ZINC000002754819 569420359 /nfs/dbraw/zinc/42/03/59/569420359.db2.gz YEHKWLKYESKYPH-UHFFFAOYSA-N 0 0 441.045 4.525 50 0 IJAARN Cc1ccc(Cn2c(SCC(=O)N(C)Cc3ccccc3)nc3ccsc3c2=O)cc1 ZINC000002908588 569424583 /nfs/dbraw/zinc/42/45/83/569424583.db2.gz CAAQOUXGUZBGCK-UHFFFAOYSA-N 0 0 449.601 4.565 50 0 IJAARN O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1Cl ZINC000002908894 569424712 /nfs/dbraw/zinc/42/47/12/569424712.db2.gz KHORKSUVCWDOSA-UHFFFAOYSA-N 0 0 445.928 4.971 50 0 IJAARN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910997 569424865 /nfs/dbraw/zinc/42/48/65/569424865.db2.gz XQSJGPUTKAGPKJ-UHFFFAOYSA-N 0 0 445.878 4.999 50 0 IJAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1 ZINC000002918842 569425284 /nfs/dbraw/zinc/42/52/84/569425284.db2.gz APMBGAPDMKCGSX-HNNXBMFYSA-N 0 0 437.219 4.837 50 0 IJAARN CCCCCCNc1nc(Nc2ccc(I)cc2C)nc(OC)n1 ZINC000002924947 569425482 /nfs/dbraw/zinc/42/54/82/569425482.db2.gz SGCJHJNROHOSIW-UHFFFAOYSA-N 0 0 441.317 4.529 50 0 IJAARN O=C(CSc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1)NCc1ccco1 ZINC000002933064 569426234 /nfs/dbraw/zinc/42/62/34/569426234.db2.gz BXYKTYCVVCKGGU-UHFFFAOYSA-N 0 0 438.940 4.897 50 0 IJAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(NCc3ccc(Cl)cc3)n2)no1 ZINC000002933062 569426313 /nfs/dbraw/zinc/42/63/13/569426313.db2.gz OELVVQDMLMLHNV-UHFFFAOYSA-N 0 0 439.928 4.923 50 0 IJAARN COc1cc(Cl)c(C)cc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000002942789 569426795 /nfs/dbraw/zinc/42/67/95/569426795.db2.gz SPVLYDQTYKWUAM-UHFFFAOYSA-N 0 0 449.894 4.617 50 0 IJAARN COc1ccc(C2=N/C(=C/c3c(OC)ccc4ccccc43)C(=O)O2)cc1Br ZINC000002945701 569426875 /nfs/dbraw/zinc/42/68/75/569426875.db2.gz WJBDLWDUZKCRKX-LDADJPATSA-N 0 0 438.277 4.964 50 0 IJAARN O=C1OC(c2cccc3ccccc32)=NC1=CNc1ccc(I)cc1 ZINC000002946794 569427048 /nfs/dbraw/zinc/42/70/48/569427048.db2.gz UTDPJAQTWBMNJP-LDADJPATSA-N 0 0 440.240 4.701 50 0 IJAARN CC[C@@H](Sc1nc2ccccc2c(Nc2ccc(F)cc2)n1)C(=O)NCCCOC ZINC000002948858 569427178 /nfs/dbraw/zinc/42/71/78/569427178.db2.gz JXTAWCXSQYJVMR-LJQANCHMSA-N 0 0 428.533 4.536 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000056908027 569427727 /nfs/dbraw/zinc/42/77/27/569427727.db2.gz PMBBRDCMILSCKU-UHFFFAOYSA-N 0 0 443.473 4.862 50 0 IJAARN CN(CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1nc2ccccc2s1 ZINC000057292087 569430542 /nfs/dbraw/zinc/43/05/42/569430542.db2.gz LUGUFEDJMPMNRU-NRFANRHFSA-N 0 0 429.545 4.895 50 0 IJAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057315290 569430894 /nfs/dbraw/zinc/43/08/94/569430894.db2.gz YHYIWVJUFZQKGT-DEOSSOPVSA-N 0 0 437.559 4.620 50 0 IJAARN C[C@@]12NC(=S)N[C@@H](c3cc(Cl)cc(Cl)c3O1)[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000002962790 569432749 /nfs/dbraw/zinc/43/27/49/569432749.db2.gz UOXQPIXHKYJGIM-SUNYJGFJSA-N 0 0 442.755 4.529 50 0 IJAARN Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000002963895 569432896 /nfs/dbraw/zinc/43/28/96/569432896.db2.gz XCDDESXMGPMCON-YCIYHOANSA-N 0 0 444.328 4.898 50 0 IJAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000057425410 569434343 /nfs/dbraw/zinc/43/43/43/569434343.db2.gz FQFIMMFXEOFQPK-UHFFFAOYSA-N 0 0 449.601 4.647 50 0 IJAARN CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000057428466 569434873 /nfs/dbraw/zinc/43/48/73/569434873.db2.gz SBMPGUGSMAASMU-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4nc5ccccc5s4)c(=O)c23)cc1 ZINC000003017653 569435502 /nfs/dbraw/zinc/43/55/02/569435502.db2.gz LMERLZDPGHWLNQ-UHFFFAOYSA-N 0 0 432.530 4.682 50 0 IJAARN Cc1cc2[nH]c3nnc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nc3c2c(C)c1 ZINC000003019800 569435560 /nfs/dbraw/zinc/43/55/60/569435560.db2.gz AFSZJJPKECUJPZ-UHFFFAOYSA-N 0 0 431.443 4.873 50 0 IJAARN Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003022746 569436052 /nfs/dbraw/zinc/43/60/52/569436052.db2.gz BPWIQKKIZWWAPP-UHFFFAOYSA-N 0 0 444.915 4.791 50 0 IJAARN Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4ccc(C)c(F)c4)nn3c2C)cc1 ZINC000003026045 569436275 /nfs/dbraw/zinc/43/62/75/569436275.db2.gz LDJMXPRHQIRTSX-UHFFFAOYSA-N 0 0 449.555 4.819 50 0 IJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(F)c(Cl)c1 ZINC000057486779 569436543 /nfs/dbraw/zinc/43/65/43/569436543.db2.gz PVVUJMQQWNCJET-UHFFFAOYSA-N 0 0 445.281 4.967 50 0 IJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 ZINC000057488048 569436876 /nfs/dbraw/zinc/43/68/76/569436876.db2.gz OYBHEJVYEDPHBA-OAHLLOKOSA-N 0 0 448.013 4.984 50 0 IJAARN CCCCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000057488214 569436886 /nfs/dbraw/zinc/43/68/86/569436886.db2.gz RZROZGTVOHTFEX-UHFFFAOYSA-N 0 0 429.611 4.805 50 0 IJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)c1 ZINC000057489078 569436971 /nfs/dbraw/zinc/43/69/71/569436971.db2.gz NZILAXNNEAEKRI-UHFFFAOYSA-N 0 0 441.603 4.801 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2F)c(C)c1 ZINC000003031778 569437757 /nfs/dbraw/zinc/43/77/57/569437757.db2.gz BEORXQKKTRRJSW-UHFFFAOYSA-N 0 0 444.503 4.621 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc2F)c(C)c1 ZINC000003032104 569437759 /nfs/dbraw/zinc/43/77/59/569437759.db2.gz VCTUMCFYXHOQRS-VFNWGFHPSA-N 0 0 432.561 4.860 50 0 IJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2F)c(C)c1 ZINC000003031767 569437781 /nfs/dbraw/zinc/43/77/81/569437781.db2.gz BLZCSYHJIDVONS-IYBDPMFKSA-N 0 0 432.561 4.670 50 0 IJAARN COc1ccccc1CN1C(=O)CN(C2CCCCCC2)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000003039160 569438024 /nfs/dbraw/zinc/43/80/24/569438024.db2.gz UYNCBYJNPGYJLS-XMMPIXPASA-N 0 0 440.971 4.984 50 0 IJAARN Cc1ccc(Cn2c3ccccc3nc(CCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000003040688 569438420 /nfs/dbraw/zinc/43/84/20/569438420.db2.gz XFZWLUBXFUYXCB-UHFFFAOYSA-N 0 0 445.950 4.656 50 0 IJAARN C[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000003050434 569439134 /nfs/dbraw/zinc/43/91/34/569439134.db2.gz WPEOJHWJEJVDKZ-HNNXBMFYSA-N 0 0 435.886 4.690 50 0 IJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Br)cc2)c(=O)c1C ZINC000057528118 569439241 /nfs/dbraw/zinc/43/92/41/569439241.db2.gz RGRNWZRYAAAEEP-UHFFFAOYSA-N 0 0 446.732 4.582 50 0 IJAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2 ZINC000003063314 569439621 /nfs/dbraw/zinc/43/96/21/569439621.db2.gz VWUNDFLVTPHMFP-GOSISDBHSA-N 0 0 434.967 4.795 50 0 IJAARN COc1ccccc1C(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 ZINC000003108321 569440308 /nfs/dbraw/zinc/44/03/08/569440308.db2.gz LCWNUYUYVGOMQX-UHFFFAOYSA-N 0 0 442.515 4.727 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000003144125 569440872 /nfs/dbraw/zinc/44/08/72/569440872.db2.gz AAUDSAMIXYQGNE-SFHVURJKSA-N 0 0 437.499 4.849 50 0 IJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCc2ccccc21 ZINC000003220421 569441966 /nfs/dbraw/zinc/44/19/66/569441966.db2.gz CHDNUBAXZSNSMX-UHFFFAOYSA-N 0 0 432.574 4.736 50 0 IJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(Br)cc1F ZINC000003235800 569442457 /nfs/dbraw/zinc/44/24/57/569442457.db2.gz LKCQXWUBUVONRO-UHFFFAOYSA-N 0 0 438.268 4.721 50 0 IJAARN O=C(NCCc1ccccc1)C(=Cc1cccc2ccccc12)C(=O)NCCc1ccccc1 ZINC000003256542 569443051 /nfs/dbraw/zinc/44/30/51/569443051.db2.gz IYOGRUDMUXMBEB-UHFFFAOYSA-N 0 0 448.566 4.941 50 0 IJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2C1 ZINC000003263647 569443335 /nfs/dbraw/zinc/44/33/35/569443335.db2.gz JTGVQSBTNRXGEY-GFCCVEGCSA-N 0 0 444.318 4.857 50 0 IJAARN CCOc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)cc1 ZINC000003273334 569443641 /nfs/dbraw/zinc/44/36/41/569443641.db2.gz NZTZNTNZYAPFIR-CQSZACIVSA-N 0 0 426.567 4.750 50 0 IJAARN COc1ccc(-c2nn(CN3CCC[C@H](O)C3)c(=S)n2-c2ccccc2C(C)C)cc1 ZINC000003277883 569443749 /nfs/dbraw/zinc/44/37/49/569443749.db2.gz AFZQFUYMFAHIIP-IBGZPJMESA-N 0 0 438.597 4.616 50 0 IJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)c2C1 ZINC000003279942 569443838 /nfs/dbraw/zinc/44/38/38/569443838.db2.gz SKGRGGQHBKNPHW-AWEZNQCLSA-N 0 0 440.446 4.757 50 0 IJAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C2=O ZINC000003280572 569443841 /nfs/dbraw/zinc/44/38/41/569443841.db2.gz UVQLZGFGPPUDBI-APBUJDDRSA-N 0 0 446.762 4.722 50 0 IJAARN Cc1ccnn1-c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000058004526 569444519 /nfs/dbraw/zinc/44/45/19/569444519.db2.gz RGZHTFPFMHWXLG-UHFFFAOYSA-N 0 0 446.532 4.542 50 0 IJAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003294468 569444597 /nfs/dbraw/zinc/44/45/97/569444597.db2.gz FUUSKOZIZBGBST-UHFFFAOYSA-N 0 0 444.812 4.887 50 0 IJAARN Cn1c(SCc2cc(=O)n3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1 ZINC000003300138 569444958 /nfs/dbraw/zinc/44/49/58/569444958.db2.gz QRDZVHCHSLTNOP-UHFFFAOYSA-N 0 0 431.546 4.511 50 0 IJAARN Cc1cc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n2c2ccccc12 ZINC000003303748 569445115 /nfs/dbraw/zinc/44/51/15/569445115.db2.gz FHKVSWPENQTLEV-UHFFFAOYSA-N 0 0 430.577 4.764 50 0 IJAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000003307013 569445218 /nfs/dbraw/zinc/44/52/18/569445218.db2.gz CGDCEMRUQNUQHY-UHFFFAOYSA-N 0 0 444.940 4.775 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccncc2)n1C)c1ccccc1 ZINC000003308108 569445303 /nfs/dbraw/zinc/44/53/03/569445303.db2.gz UHYBNNFWRSGGBS-NRFANRHFSA-N 0 0 445.548 4.666 50 0 IJAARN O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)Nc1cccnc1Cl ZINC000003308751 569445356 /nfs/dbraw/zinc/44/53/56/569445356.db2.gz MHBZOWVSOXQFEL-UHFFFAOYSA-N 0 0 436.851 4.856 50 0 IJAARN CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)n1 ZINC000003335815 569446666 /nfs/dbraw/zinc/44/66/66/569446666.db2.gz LMZKQERHSPABQH-UHFFFAOYSA-N 0 0 429.973 4.817 50 0 IJAARN CCc1nc2ccccc2c(C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)c1C ZINC000003350367 569447366 /nfs/dbraw/zinc/44/73/66/569447366.db2.gz FOLRPGGANJDGES-UHFFFAOYSA-N 0 0 429.501 4.685 50 0 IJAARN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000058106282 569447537 /nfs/dbraw/zinc/44/75/37/569447537.db2.gz VEMOKVMCGJCIBO-IBGZPJMESA-N 0 0 442.563 4.867 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C[C@@H]1CCCO1 ZINC000003355357 569447574 /nfs/dbraw/zinc/44/75/74/569447574.db2.gz SDZSWECAEBZFAW-SFHVURJKSA-N 0 0 442.610 4.723 50 0 IJAARN CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2ccccc2F)cc1 ZINC000003356724 569447628 /nfs/dbraw/zinc/44/76/28/569447628.db2.gz SXINPLCAUIUFMN-UHFFFAOYSA-N 0 0 435.499 4.547 50 0 IJAARN Cc1ccc(C)n1C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000058113779 569447859 /nfs/dbraw/zinc/44/78/59/569447859.db2.gz ATSSUGVTVBTMCW-UHFFFAOYSA-N 0 0 430.961 4.764 50 0 IJAARN O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)Nc1ccc(Cl)cn1 ZINC000003370027 569448307 /nfs/dbraw/zinc/44/83/07/569448307.db2.gz BDYSNGTUKCAYPI-UHFFFAOYSA-N 0 0 431.275 4.763 50 0 IJAARN COc1ccc(-c2noc(CCC(=O)N(CCc3ccccc3)c3ccccc3)n2)cc1 ZINC000058156654 569448978 /nfs/dbraw/zinc/44/89/78/569448978.db2.gz GXHSHSBNFMXADS-UHFFFAOYSA-N 0 0 427.504 4.954 50 0 IJAARN Cc1n[nH]c(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1C ZINC000003386198 569448988 /nfs/dbraw/zinc/44/89/88/569448988.db2.gz RKATUENZCUSTOP-UHFFFAOYSA-N 0 0 446.580 4.546 50 0 IJAARN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)CCn1c2ccccc2oc1=O ZINC000058156861 569448993 /nfs/dbraw/zinc/44/89/93/569448993.db2.gz ARXYHOGOJGKSTL-FQEVSTJZSA-N 0 0 444.531 4.653 50 0 IJAARN CCCN(C(=O)c1cc(-c2ccco2)nc2onc(C)c21)[C@H](C)C(=O)Nc1ccccc1 ZINC000058159162 569449071 /nfs/dbraw/zinc/44/90/71/569449071.db2.gz NWCGJHWUODQLPM-MRXNPFEDSA-N 0 0 432.480 4.671 50 0 IJAARN COc1ccc(-c2nc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)sc2C)cc1 ZINC000030857730 569449747 /nfs/dbraw/zinc/44/97/47/569449747.db2.gz JSHQVQYQLGORTH-KRWDZBQOSA-N 0 0 441.578 4.822 50 0 IJAARN CCn1c(SCC(=O)N2CCCC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000003406227 569449924 /nfs/dbraw/zinc/44/99/24/569449924.db2.gz QSWHBIRLESJOCN-UHFFFAOYSA-N 0 0 443.576 4.895 50 0 IJAARN Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000058218132 569450776 /nfs/dbraw/zinc/45/07/76/569450776.db2.gz STHKXZYHQXMMDK-IBGZPJMESA-N 0 0 447.926 4.904 50 0 IJAARN COc1cc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)cc(OC)c1OC ZINC000003446108 569451418 /nfs/dbraw/zinc/45/14/18/569451418.db2.gz UNNXQXNZMJALRG-UHFFFAOYSA-N 0 0 434.464 4.604 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCCCc1ccccc1 ZINC000003447620 569451441 /nfs/dbraw/zinc/45/14/41/569451441.db2.gz QEUCEOLFYPHNSZ-UHFFFAOYSA-N 0 0 435.593 4.743 50 0 IJAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000003454655 569451697 /nfs/dbraw/zinc/45/16/97/569451697.db2.gz KBRXQCITRNEQJZ-OAHLLOKOSA-N 0 0 429.973 4.675 50 0 IJAARN O=C(Nc1ccccc1N1CCCCCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000030993370 569452146 /nfs/dbraw/zinc/45/21/46/569452146.db2.gz MRQXTYWZVQYFFJ-UHFFFAOYSA-N 0 0 438.549 4.886 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2C(C)C)cc1 ZINC000003484221 569452424 /nfs/dbraw/zinc/45/24/24/569452424.db2.gz OWTWOQNQHUCYNZ-UHFFFAOYSA-N 0 0 436.581 4.781 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000003491010 569452525 /nfs/dbraw/zinc/45/25/25/569452525.db2.gz GRHDCIOCKMXTJG-UHFFFAOYSA-N 0 0 449.963 4.507 50 0 IJAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000003495605 569452645 /nfs/dbraw/zinc/45/26/45/569452645.db2.gz ZQFSESPAZKZPFL-UHFFFAOYSA-N 0 0 433.464 4.777 50 0 IJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000003498397 569452653 /nfs/dbraw/zinc/45/26/53/569452653.db2.gz LGUCMRWVDHCCOF-UHFFFAOYSA-N 0 0 448.375 4.797 50 0 IJAARN C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F)C(N)=O ZINC000003497086 569452667 /nfs/dbraw/zinc/45/26/67/569452667.db2.gz QBXRWAVIRXLZCM-JTQLQIEISA-N 0 0 426.851 4.572 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1CCC(C)C ZINC000003534231 569453470 /nfs/dbraw/zinc/45/34/70/569453470.db2.gz LBEUJYNFKFNXGE-UHFFFAOYSA-N 0 0 427.526 4.905 50 0 IJAARN CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000003534179 569453517 /nfs/dbraw/zinc/45/35/17/569453517.db2.gz FMYVWNLKJDJXNP-UHFFFAOYSA-N 0 0 442.535 4.953 50 0 IJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000003611449 569454976 /nfs/dbraw/zinc/45/49/76/569454976.db2.gz VUBOXLODFWARTG-UHFFFAOYSA-N 0 0 432.505 4.520 50 0 IJAARN Cc1cc(NC(=O)C2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)no1 ZINC000058482083 569455295 /nfs/dbraw/zinc/45/52/95/569455295.db2.gz QULXOGPPRZFIHS-KRWDZBQOSA-N 0 0 429.586 4.686 50 0 IJAARN Cc1c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000031270574 569455501 /nfs/dbraw/zinc/45/55/01/569455501.db2.gz GVTRHDPDCBNIGJ-QFIPXVFZSA-N 0 0 443.469 4.785 50 0 IJAARN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000003657862 569455822 /nfs/dbraw/zinc/45/58/22/569455822.db2.gz YWAWUWPQACHGIF-DNQXCXABSA-N 0 0 430.504 4.643 50 0 IJAARN O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000003659183 569455885 /nfs/dbraw/zinc/45/58/85/569455885.db2.gz SYYXJMMEKPEVIS-JOCHJYFZSA-N 0 0 429.538 4.841 50 0 IJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCSc1nc2ccccc2s1 ZINC000031348507 569456153 /nfs/dbraw/zinc/45/61/53/569456153.db2.gz RSXVFSMGAFWTEZ-UHFFFAOYSA-N 0 0 435.521 4.544 50 0 IJAARN Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1-c1nc(-c2ccccc2)no1 ZINC000031813595 569457947 /nfs/dbraw/zinc/45/79/47/569457947.db2.gz KCWHRGLRVRBRAE-UHFFFAOYSA-N 0 0 426.885 4.839 50 0 IJAARN O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000031819385 569458056 /nfs/dbraw/zinc/45/80/56/569458056.db2.gz MSGBYIKMKYAMKU-RUZDIDTESA-N 0 0 439.559 4.841 50 0 IJAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 ZINC000032090606 569459574 /nfs/dbraw/zinc/45/95/74/569459574.db2.gz NFZAPAWIKGUGMF-QGZVFWFLSA-N 0 0 440.887 4.701 50 0 IJAARN O=C(NC[C@H](O)c1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032095059 569459843 /nfs/dbraw/zinc/45/98/43/569459843.db2.gz PJBLCLSEQAXZLO-LOSJGSFVSA-N 0 0 446.591 4.721 50 0 IJAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)C1=O ZINC000004123133 569460072 /nfs/dbraw/zinc/46/00/72/569460072.db2.gz TXDIHJHMEZHTNS-NDEPHWFRSA-N 0 0 436.511 4.793 50 0 IJAARN O=C1Nc2cccc(Cl)c2[C@]12CC(=O)Nc1c2cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000032102590 569460157 /nfs/dbraw/zinc/46/01/57/569460157.db2.gz WUGIFWBZDMPJPA-LJQANCHMSA-N 0 0 448.788 4.654 50 0 IJAARN O=C(NCc1ccccc1CN1CCOCC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000032246827 569460954 /nfs/dbraw/zinc/46/09/54/569460954.db2.gz RZOGZVOUVIBGCX-RJAVSUSUSA-N 0 0 444.619 4.673 50 0 IJAARN Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1CCC1=CCCCC1 ZINC000004287895 569461789 /nfs/dbraw/zinc/46/17/89/569461789.db2.gz IEAHQRFVYXQUSX-UHFFFAOYSA-N 0 0 425.573 4.823 50 0 IJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008072488 569462161 /nfs/dbraw/zinc/46/21/61/569462161.db2.gz FSJJJHAPABWTEI-UHFFFAOYSA-N 0 0 425.536 4.824 50 0 IJAARN COc1ccc(C(=O)N2CCC(Cn3c4ccccc4nc3C(F)(F)F)CC2)c(OC)c1 ZINC000038534136 569463213 /nfs/dbraw/zinc/46/32/13/569463213.db2.gz YVEBEXYJPOSYNA-UHFFFAOYSA-N 0 0 447.457 4.625 50 0 IJAARN COc1ccc(CNC(=O)N2CCC(Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000038536190 569463216 /nfs/dbraw/zinc/46/32/16/569463216.db2.gz VELPFGLIQGZVDC-UHFFFAOYSA-N 0 0 446.473 4.686 50 0 IJAARN Cc1ccc(NC(=O)[C@@H](CCC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1C ZINC000008434784 569464264 /nfs/dbraw/zinc/46/42/64/569464264.db2.gz SETSYEAATDYINU-OAQYLSRUSA-N 0 0 440.540 4.659 50 0 IJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000008440544 569464376 /nfs/dbraw/zinc/46/43/76/569464376.db2.gz SQOXAWHMTKYEBO-UHFFFAOYSA-N 0 0 429.501 4.960 50 0 IJAARN O=C(CSc1nccn1-c1ccc(C(=O)NCc2cccs2)cc1)c1ccccc1 ZINC000067206534 569464681 /nfs/dbraw/zinc/46/46/81/569464681.db2.gz SHGIEKUSKXRLTO-UHFFFAOYSA-N 0 0 433.558 4.839 50 0 IJAARN Cc1ccccc1-n1c(=O)c2sccc2nc1SCC(=O)N1CCCc2ccccc21 ZINC000067209016 569464745 /nfs/dbraw/zinc/46/47/45/569464745.db2.gz RWFMABQJTIULRB-UHFFFAOYSA-N 0 0 447.585 4.827 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n(C(C)C)c(=O)c2[nH]1 ZINC000067236159 569465377 /nfs/dbraw/zinc/46/53/77/569465377.db2.gz DTRPZZMVVWUEBN-UHFFFAOYSA-N 0 0 425.341 4.652 50 0 IJAARN Cc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 ZINC000067237382 569465531 /nfs/dbraw/zinc/46/55/31/569465531.db2.gz PEIQEXOVRZFHOC-UHFFFAOYSA-N 0 0 442.903 4.546 50 0 IJAARN CCN(C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C)c1cccc(C)c1 ZINC000067237966 569465595 /nfs/dbraw/zinc/46/55/95/569465595.db2.gz PWMAGNGQEDAGMM-UHFFFAOYSA-N 0 0 426.586 4.533 50 0 IJAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000038651877 569465716 /nfs/dbraw/zinc/46/57/16/569465716.db2.gz ABOPFTMRWVBHGJ-UHFFFAOYSA-N 0 0 433.461 4.568 50 0 IJAARN CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000038654046 569465775 /nfs/dbraw/zinc/46/57/75/569465775.db2.gz LZGKOVFCBSSZIB-UHFFFAOYSA-N 0 0 436.581 4.750 50 0 IJAARN CC[C@@H]1CCCCN1c1cc(SCC(=O)Nc2ccc(Br)cc2)ncn1 ZINC000067255853 569466055 /nfs/dbraw/zinc/46/60/55/569466055.db2.gz YNKXAZAQLAZAHY-MRXNPFEDSA-N 0 0 435.391 4.739 50 0 IJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)ccc2F)c(OC)c1 ZINC000067258917 569466199 /nfs/dbraw/zinc/46/61/99/569466199.db2.gz SWFWJTPKJCWIKJ-UHFFFAOYSA-N 0 0 440.471 4.973 50 0 IJAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccc(F)cc3)c(=O)c12 ZINC000067260292 569466298 /nfs/dbraw/zinc/46/62/98/569466298.db2.gz YBRDDCJVRJJKLQ-UHFFFAOYSA-N 0 0 432.480 4.979 50 0 IJAARN CCCCOc1ccc(-c2cc3c4nn(Cc5ccccc5Cl)c(=O)n4ccn3n2)cc1 ZINC000067260523 569466376 /nfs/dbraw/zinc/46/63/76/569466376.db2.gz WTYMVSHHYLEARY-UHFFFAOYSA-N 0 0 447.926 4.691 50 0 IJAARN CC(C)CCN1c2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2OCC(C)(C)C1=O ZINC000038677899 569466635 /nfs/dbraw/zinc/46/66/35/569466635.db2.gz KFAXENLPOLJLDJ-UHFFFAOYSA-N 0 0 448.519 4.843 50 0 IJAARN O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2Cl)CC1)N1CCCC1 ZINC000067287995 569467382 /nfs/dbraw/zinc/46/73/82/569467382.db2.gz XBGBYOWDGUEXML-UHFFFAOYSA-N 0 0 438.934 4.590 50 0 IJAARN Cc1ccc(C)c(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc43)CC2)c1 ZINC000067287978 569467392 /nfs/dbraw/zinc/46/73/92/569467392.db2.gz BEFUOUNWGIICQL-UHFFFAOYSA-N 0 0 432.543 4.553 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1 ZINC000067290389 569467582 /nfs/dbraw/zinc/46/75/82/569467582.db2.gz LSCSVRLEBHZOKO-UHFFFAOYSA-N 0 0 440.475 4.804 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)N4CCCc5ccccc54)nccn3n2)cc1 ZINC000067290259 569467595 /nfs/dbraw/zinc/46/75/95/569467595.db2.gz HHYAVZZVTYZHIL-UHFFFAOYSA-N 0 0 444.560 4.867 50 0 IJAARN CCOc1ccc(-c2cc3c(SCC(=O)N[C@@H]4CCc5ccccc54)nccn3n2)cc1 ZINC000067290589 569467647 /nfs/dbraw/zinc/46/76/47/569467647.db2.gz PEZYUHOGXIYZEX-OAQYLSRUSA-N 0 0 444.560 4.691 50 0 IJAARN Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292204 569467705 /nfs/dbraw/zinc/46/77/05/569467705.db2.gz GEVDZOIUBGMAJP-UEAMBXKFSA-N 0 0 441.325 4.645 50 0 IJAARN COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccccc3C(F)(F)F)oc21 ZINC000067293996 569467839 /nfs/dbraw/zinc/46/78/39/569467839.db2.gz NIPFXPOBNTYJSI-JTWLMRIYSA-N 0 0 446.425 4.601 50 0 IJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000067298184 569468125 /nfs/dbraw/zinc/46/81/25/569468125.db2.gz XKYGAGYTWAVRLY-BWAHOGKJSA-N 0 0 447.394 4.978 50 0 IJAARN Cc1nc2cc(NC(=O)Cc3csc(NC(=O)/C=C/c4ccccc4)n3)ccc2s1 ZINC000038739529 569468406 /nfs/dbraw/zinc/46/84/06/569468406.db2.gz HXFBOVVRKPKRGW-JXMROGBWSA-N 0 0 434.546 4.894 50 0 IJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c(OC)c1 ZINC000038944788 569469637 /nfs/dbraw/zinc/46/96/37/569469637.db2.gz DYCIXXJWXHOGCO-UHFFFAOYSA-N 0 0 437.521 4.608 50 0 IJAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O ZINC000008644528 569469649 /nfs/dbraw/zinc/46/96/49/569469649.db2.gz BZLBNCJLDMHCJT-RUZDIDTESA-N 0 0 445.544 4.634 50 0 IJAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000008704541 569470272 /nfs/dbraw/zinc/47/02/72/569470272.db2.gz QFWJRLAUFAKFRN-UHFFFAOYSA-N 0 0 430.913 4.635 50 0 IJAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C(=O)NCC1CCCCC1 ZINC000008720694 569471637 /nfs/dbraw/zinc/47/16/37/569471637.db2.gz YARDKXBKZUHVNT-INIZCTEOSA-N 0 0 439.560 4.646 50 0 IJAARN COc1ccccc1-c1noc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000008723712 569471885 /nfs/dbraw/zinc/47/18/85/569471885.db2.gz TVKUAYTYQPMYLB-UHFFFAOYSA-N 0 0 425.539 4.616 50 0 IJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2c3ccccc3nc2-c2cscn2)c1 ZINC000008724256 569471921 /nfs/dbraw/zinc/47/19/21/569471921.db2.gz ZSXBPFCKPHVMPD-FQEVSTJZSA-N 0 0 448.548 4.541 50 0 IJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1 ZINC000008725269 569472152 /nfs/dbraw/zinc/47/21/52/569472152.db2.gz OYXPTZFIZXYMLX-GOSISDBHSA-N 0 0 445.519 4.730 50 0 IJAARN C[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc21 ZINC000008726132 569472222 /nfs/dbraw/zinc/47/22/22/569472222.db2.gz WHGIUWWMRDYCBB-KRWDZBQOSA-N 0 0 431.565 4.708 50 0 IJAARN Cc1ccccc1-n1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccnc1 ZINC000008725815 569472255 /nfs/dbraw/zinc/47/22/55/569472255.db2.gz GREOVDZGZPPUNE-JOCHJYFZSA-N 0 0 441.560 4.750 50 0 IJAARN COc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2-c2ccccc2F)cc1 ZINC000008751810 569473493 /nfs/dbraw/zinc/47/34/93/569473493.db2.gz BJPHICZNPBPHII-FQEVSTJZSA-N 0 0 427.501 4.598 50 0 IJAARN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@](O)(C(F)(F)F)C2)c(OC)c1 ZINC000008753857 569473759 /nfs/dbraw/zinc/47/37/59/569473759.db2.gz NSQQRUPFFNXVNF-HXUWFJFHSA-N 0 0 449.454 4.693 50 0 IJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nnsc1[S@](=O)c1ccc(Cl)cc1 ZINC000008762758 569474379 /nfs/dbraw/zinc/47/43/79/569474379.db2.gz JWPKOCFCZMUKFU-MHZLTWQESA-N 0 0 431.848 4.629 50 0 IJAARN COc1cccc(C(NC(=O)c2cccc(Cl)c2)NC(=O)c2cccc(Cl)c2)c1 ZINC000008763521 569474407 /nfs/dbraw/zinc/47/44/07/569474407.db2.gz CNQZDKIPWYEEHM-UHFFFAOYSA-N 0 0 429.303 4.861 50 0 IJAARN COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OC ZINC000008770051 569475142 /nfs/dbraw/zinc/47/51/42/569475142.db2.gz AQHCJXODOXJOEI-UHFFFAOYSA-N 0 0 438.549 4.830 50 0 IJAARN COc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 ZINC000008790021 569475975 /nfs/dbraw/zinc/47/59/75/569475975.db2.gz WSSOCNIZDFFRJM-KBMIEXCESA-N 0 0 440.499 4.884 50 0 biogenic IJAARN COc1ccc2c(c1)oc(=O)cc2-c1cc2ccc(OCC(=O)C(C)(C)C)cc2oc1=O ZINC000008790213 569476047 /nfs/dbraw/zinc/47/60/47/569476047.db2.gz ACBWVAZROVHGOT-UHFFFAOYSA-N 0 0 434.444 4.569 50 0 biogenic IJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1OC ZINC000008791513 569476261 /nfs/dbraw/zinc/47/62/61/569476261.db2.gz QJZUNFUNBPYSHR-UHFFFAOYSA-N 0 0 435.476 4.971 50 0 biogenic IJAARN O=C(CSc1cn(CCNC(=O)c2ccc(F)cc2)c2ccccc12)Nc1ccccc1 ZINC000008795991 569476414 /nfs/dbraw/zinc/47/64/14/569476414.db2.gz NIMOQOJPBKRBCY-UHFFFAOYSA-N 0 0 447.535 4.941 50 0 IJAARN CC(=O)N1CCC(N(CCCOC(C)C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000008811896 569476592 /nfs/dbraw/zinc/47/65/92/569476592.db2.gz GUCCFQMAGVKYDV-UHFFFAOYSA-N 0 0 430.376 4.653 50 0 IJAARN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCCCN3C(=O)c4ccccc4C3=O)n12 ZINC000008844165 569478527 /nfs/dbraw/zinc/47/85/27/569478527.db2.gz GCRZXQIJMMTALF-UHFFFAOYSA-N 0 0 430.533 4.586 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000008844578 569478650 /nfs/dbraw/zinc/47/86/50/569478650.db2.gz AXIBNHGLXOYOHJ-HOTGVXAUSA-N 0 0 446.956 4.750 50 0 IJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000008844577 569478671 /nfs/dbraw/zinc/47/86/71/569478671.db2.gz AXIBNHGLXOYOHJ-HZPDHXFCSA-N 0 0 446.956 4.750 50 0 IJAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)cc1 ZINC000008845296 569478778 /nfs/dbraw/zinc/47/87/78/569478778.db2.gz PENJESNWZMGDDB-RUZDIDTESA-N 0 0 449.551 4.933 50 0 IJAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846039 569479004 /nfs/dbraw/zinc/47/90/04/569479004.db2.gz HEATURPNZBIQRT-HSZRJFAPSA-N 0 0 426.472 4.722 50 0 IJAARN O=C(CSc1nc(CC(=O)NCc2ccccc2Cl)cs1)Nc1ccc(F)cc1 ZINC000008851870 569479419 /nfs/dbraw/zinc/47/94/19/569479419.db2.gz MYKWJXAWSCFTMZ-UHFFFAOYSA-N 0 0 449.960 4.525 50 0 IJAARN COc1cc(CSc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc(OC)c1 ZINC000008853638 569479574 /nfs/dbraw/zinc/47/95/74/569479574.db2.gz INFRKSFXAJLLKS-UHFFFAOYSA-N 0 0 448.997 4.965 50 0 IJAARN COc1ccc(CCNC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 ZINC000008854355 569479636 /nfs/dbraw/zinc/47/96/36/569479636.db2.gz QSWSHHNZBXBVPY-UHFFFAOYSA-N 0 0 432.998 4.999 50 0 IJAARN O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008855555 569479689 /nfs/dbraw/zinc/47/96/89/569479689.db2.gz ICJWUYRONUPDEN-UHFFFAOYSA-N 0 0 439.625 4.672 50 0 IJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000008855992 569479751 /nfs/dbraw/zinc/47/97/51/569479751.db2.gz KFAYYNDWKKRMDP-UHFFFAOYSA-N 0 0 446.956 4.540 50 0 IJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2C)cc1OCC ZINC000008868465 569480402 /nfs/dbraw/zinc/48/04/02/569480402.db2.gz NHNLFUJFZOHKBN-UHFFFAOYSA-N 0 0 431.876 4.513 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000008880305 569481425 /nfs/dbraw/zinc/48/14/25/569481425.db2.gz OXCDJFCVFXVGFE-FQEVSTJZSA-N 0 0 445.441 4.855 50 0 IJAARN CN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C(c1ccccc1)c1ccccc1 ZINC000039583901 569481793 /nfs/dbraw/zinc/48/17/93/569481793.db2.gz SAHYPCGRDSVXHF-UHFFFAOYSA-N 0 0 434.845 4.769 50 0 IJAARN CCCc1nc2ccccc2n1CC(=O)Nn1c(C)c(C(=O)OCC)cc1-c1ccccc1 ZINC000039929756 569482028 /nfs/dbraw/zinc/48/20/28/569482028.db2.gz LOWQXGFQPKGXHW-UHFFFAOYSA-N 0 0 444.535 4.713 50 0 IJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040011932 569482526 /nfs/dbraw/zinc/48/25/26/569482526.db2.gz BDFXREAZFXKTPD-REWPJTCUSA-N 0 0 428.561 4.969 50 0 IJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c12 ZINC000040043332 569483671 /nfs/dbraw/zinc/48/36/71/569483671.db2.gz BXIWCLVGTQNJSE-HXUWFJFHSA-N 0 0 434.540 4.539 50 0 IJAARN O=C1c2ccccc2S(=O)(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008895003 569483686 /nfs/dbraw/zinc/48/36/86/569483686.db2.gz RFSFLYDVGGJDMX-UHFFFAOYSA-N 0 0 449.919 4.537 50 0 IJAARN O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(c2nccs2)CC1 ZINC000040049229 569483785 /nfs/dbraw/zinc/48/37/85/569483785.db2.gz BCXLSQWSCHRFPY-UHFFFAOYSA-N 0 0 436.562 4.539 50 0 IJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000008900135 569484112 /nfs/dbraw/zinc/48/41/12/569484112.db2.gz GRHISSDHNLABSR-UHFFFAOYSA-N 0 0 436.562 4.991 50 0 IJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000008915785 569485606 /nfs/dbraw/zinc/48/56/06/569485606.db2.gz HWVUCQLVKUOFCY-FQEVSTJZSA-N 0 0 441.531 4.931 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000008916171 569485767 /nfs/dbraw/zinc/48/57/67/569485767.db2.gz HWUGIEWKFUHZSN-UHFFFAOYSA-N 0 0 430.892 4.772 50 0 IJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@](=O)C3)c(C)c1 ZINC000008918911 569486400 /nfs/dbraw/zinc/48/64/00/569486400.db2.gz QCUDVRGUAZTONW-SSEXGKCCSA-N 0 0 433.455 4.523 50 0 IJAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)C1=O ZINC000008921911 569486853 /nfs/dbraw/zinc/48/68/53/569486853.db2.gz YPAVEKMZGLMFQN-HSZRJFAPSA-N 0 0 444.369 4.818 50 0 IJAARN CCc1ccccc1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933029 569487735 /nfs/dbraw/zinc/48/77/35/569487735.db2.gz RIVKEGGQGSRCCW-UHFFFAOYSA-N 0 0 436.515 4.601 50 0 IJAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]Cc3cc(OC)ccc3OC)c(C(=O)[O-])c2C)cc1 ZINC000008932900 569487754 /nfs/dbraw/zinc/48/77/54/569487754.db2.gz LYADRSMJQHTRNI-UHFFFAOYSA-N 0 0 434.536 4.801 50 0 IJAARN C[C@@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008937861 569488189 /nfs/dbraw/zinc/48/81/89/569488189.db2.gz WSBWLCNFVLVWIV-OGMCXFKZSA-N 0 0 447.572 4.603 50 0 IJAARN c1cc(-c2noc(CN3CCN(Cc4csc(C5CCCCC5)n4)CC3)n2)cs1 ZINC000040105826 569488286 /nfs/dbraw/zinc/48/82/86/569488286.db2.gz XRFRGESEKDBFIE-UHFFFAOYSA-N 0 0 429.615 4.620 50 0 IJAARN CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000008942112 569488700 /nfs/dbraw/zinc/48/87/00/569488700.db2.gz AOWLWVQSVNNLSB-QWHCGFSZSA-N 0 0 431.587 4.820 50 0 IJAARN O=C1C(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C(=O)N1CCC1=CCCCC1 ZINC000008943256 569488766 /nfs/dbraw/zinc/48/87/66/569488766.db2.gz YKBGIGJKQLYBDP-UHFFFAOYSA-N 0 0 429.929 4.645 50 0 IJAARN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000040117383 569489305 /nfs/dbraw/zinc/48/93/05/569489305.db2.gz NWICBGOKXVFESG-HSZRJFAPSA-N 0 0 426.507 4.865 50 0 IJAARN CC(C)CCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008952424 569489979 /nfs/dbraw/zinc/48/99/79/569489979.db2.gz YERCQOBOJFQDQM-BCHFMIIMSA-N 0 0 449.982 4.899 50 0 biogenic IJAARN COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3nc(C)sc32)cc1OC ZINC000008955740 569490156 /nfs/dbraw/zinc/49/01/56/569490156.db2.gz KDVHUIUQXAOEPX-UHFFFAOYSA-N 0 0 427.913 4.547 50 0 IJAARN C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000040135314 569490661 /nfs/dbraw/zinc/49/06/61/569490661.db2.gz WFTGMOCJRSNAQJ-WBVHZDCISA-N 0 0 429.549 4.511 50 0 IJAARN CN(Cc1ccccc1)C(=O)N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000040135299 569490681 /nfs/dbraw/zinc/49/06/81/569490681.db2.gz HBTCFTICAJSFIR-UHFFFAOYSA-N 0 0 443.576 4.732 50 0 IJAARN O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1c[nH]c2ccccc21 ZINC000008965857 569491544 /nfs/dbraw/zinc/49/15/44/569491544.db2.gz VZHCZUNDFIBGNQ-UHFFFAOYSA-N 0 0 449.555 4.849 50 0 IJAARN CC(C)C(=O)Nc1nc(CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)cs1 ZINC000040140554 569491592 /nfs/dbraw/zinc/49/15/92/569491592.db2.gz ROZDXNMVZADGSI-UHFFFAOYSA-N 0 0 425.539 4.524 50 0 IJAARN C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1cccnc1 ZINC000008971958 569492740 /nfs/dbraw/zinc/49/27/40/569492740.db2.gz TYLZNLLXMPSSES-OAHLLOKOSA-N 0 0 434.879 4.592 50 0 IJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@H]2c1cccnc1 ZINC000008974109 569492857 /nfs/dbraw/zinc/49/28/57/569492857.db2.gz GPWHLIBHCBBXHB-IBGZPJMESA-N 0 0 427.851 4.831 50 0 IJAARN O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000040150983 569493219 /nfs/dbraw/zinc/49/32/19/569493219.db2.gz HWLKYROUEMXROQ-UHFFFAOYSA-N 0 0 449.308 4.760 50 0 IJAARN COc1ccc(-c2coc3cc(OCC(=O)NCc4cccc(Cl)c4)ccc3c2=O)cc1 ZINC000008990349 569494989 /nfs/dbraw/zinc/49/49/89/569494989.db2.gz IJIJMBKWWFQHLS-UHFFFAOYSA-N 0 0 449.890 4.817 50 0 IJAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N(C)C4CCCCC4)ccc3c2=O)cc1 ZINC000008990283 569495017 /nfs/dbraw/zinc/49/50/17/569495017.db2.gz QTYNEKYSDCWSCB-UHFFFAOYSA-N 0 0 435.520 4.947 50 0 biogenic IJAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1CCc1ccccc1 ZINC000009002105 569496060 /nfs/dbraw/zinc/49/60/60/569496060.db2.gz SNYFOPDMKNUSMN-QFIPXVFZSA-N 0 0 425.532 4.674 50 0 IJAARN CCOCCCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000009013651 569496636 /nfs/dbraw/zinc/49/66/36/569496636.db2.gz PEKBXOMWSGXSMZ-INIZCTEOSA-N 0 0 430.595 4.865 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4cc[nH]c4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288159 569498410 /nfs/dbraw/zinc/49/84/10/569498410.db2.gz FKEIQBHFUIJSNU-BJKOFHAPSA-N 0 0 425.488 4.726 50 0 IJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)c3ccccc3C(=O)N2C)cc1 ZINC000040288222 569498453 /nfs/dbraw/zinc/49/84/53/569498453.db2.gz PISFEASUNGHCOR-BJKOFHAPSA-N 0 0 425.488 4.726 50 0 IJAARN CC(C)c1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c2cnn(C(C)C)c2n1 ZINC000009053697 569498884 /nfs/dbraw/zinc/49/88/84/569498884.db2.gz YINVDVBLWWSULK-UHFFFAOYSA-N 0 0 445.523 4.911 50 0 IJAARN CC(=O)c1sc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc32)nc1-c1ccccc1 ZINC000009056276 569498976 /nfs/dbraw/zinc/49/89/76/569498976.db2.gz LSIZRRYGDZVHJM-UHFFFAOYSA-N 0 0 432.505 4.556 50 0 IJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N[C@@H]4CCC[C@@H](C)[C@H]4C)c23)C1 ZINC000245228443 569499754 /nfs/dbraw/zinc/49/97/54/569499754.db2.gz YHJSWKLUVTWZPI-YWTNHNAXSA-N 0 0 428.646 4.885 50 0 IJAARN CC(C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245228598 569499950 /nfs/dbraw/zinc/49/99/50/569499950.db2.gz VTPWCUNKCPOBGP-QIRMHMFVSA-N 0 0 439.600 4.950 50 0 IJAARN Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000009067452 569500041 /nfs/dbraw/zinc/50/00/41/569500041.db2.gz DLEFUSYTTYMGAS-UHFFFAOYSA-N 0 0 433.474 4.611 50 0 IJAARN CCN(CC)C(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 ZINC000009075866 569500256 /nfs/dbraw/zinc/50/02/56/569500256.db2.gz NIGSLNNVCBZWJM-UHFFFAOYSA-N 0 0 428.627 4.887 50 0 IJAARN COc1cccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000245238908 569500525 /nfs/dbraw/zinc/50/05/25/569500525.db2.gz CKWZRIIVAWQGJX-IRLPIGQYSA-N 0 0 449.551 4.603 50 0 IJAARN COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000245238426 569500574 /nfs/dbraw/zinc/50/05/74/569500574.db2.gz NUVMBBGVVOIKFU-LIOHBJMPSA-N 0 0 439.511 4.947 50 0 IJAARN 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IJAARN O=C1N(Cc2cccs2)c2ccc(Br)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000009130353 569505998 /nfs/dbraw/zinc/50/59/98/569505998.db2.gz GJJNFYXYNBLKSW-OAQYLSRUSA-N 0 0 439.334 4.775 50 0 IJAARN Brc1ccc(CN2CCN(c3ncnc4c5ccccc5oc43)CC2)s1 ZINC000069447855 569506530 /nfs/dbraw/zinc/50/65/30/569506530.db2.gz JJSCGOINBPYDCE-UHFFFAOYSA-N 0 0 429.343 4.522 50 0 IJAARN COc1cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc(OC)c1OC ZINC000009134886 569507107 /nfs/dbraw/zinc/50/71/07/569507107.db2.gz GQQIQLYZCUDTDC-UHFFFAOYSA-N 0 0 434.448 4.631 50 0 IJAARN COc1ccc(OC)c(CNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000009152941 569507962 /nfs/dbraw/zinc/50/79/62/569507962.db2.gz XVTUMBYTDKLTER-UHFFFAOYSA-N 0 0 439.943 4.877 50 0 IJAARN O=C(c1sc2ccccc2c1Cl)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009159341 569508617 /nfs/dbraw/zinc/50/86/17/569508617.db2.gz BRAZBYFMAULDEO-HNNXBMFYSA-N 0 0 437.945 4.523 50 0 IJAARN CCN1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009166087 569508891 /nfs/dbraw/zinc/50/88/91/569508891.db2.gz RWOZPUZNVGDKTB-UHFFFAOYSA-N 0 0 430.570 4.556 50 0 IJAARN CCCN1c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167730 569509092 /nfs/dbraw/zinc/50/90/92/569509092.db2.gz JMDZHSWPVCBCTP-UHFFFAOYSA-N 0 0 430.570 4.772 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c(C)c1 ZINC000009168180 569509123 /nfs/dbraw/zinc/50/91/23/569509123.db2.gz WXBNYUUQPAJFAH-UHFFFAOYSA-N 0 0 430.570 4.512 50 0 IJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000009169338 569509229 /nfs/dbraw/zinc/50/92/29/569509229.db2.gz SOCFANWSGPSKFJ-UHFFFAOYSA-N 0 0 430.570 4.594 50 0 IJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1C ZINC000009172596 569509540 /nfs/dbraw/zinc/50/95/40/569509540.db2.gz IFHWSIMTGVUSNH-UHFFFAOYSA-N 0 0 444.597 4.820 50 0 IJAARN Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009174423 569509618 /nfs/dbraw/zinc/50/96/18/569509618.db2.gz XCEHWWVQDOZDBQ-UHFFFAOYSA-N 0 0 444.597 4.735 50 0 IJAARN CC(C)CCN1c2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009174447 569509670 /nfs/dbraw/zinc/50/96/70/569509670.db2.gz JLXYIRIYEQIUCG-UHFFFAOYSA-N 0 0 448.560 4.565 50 0 IJAARN CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000009184757 569510021 /nfs/dbraw/zinc/51/00/21/569510021.db2.gz ZQJUZISSBBDYPO-XMMPIXPASA-N 0 0 435.524 4.843 50 0 IJAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000009189848 569510541 /nfs/dbraw/zinc/51/05/41/569510541.db2.gz ZICXSAQLNRJZON-DEOSSOPVSA-N 0 0 444.487 4.621 50 0 IJAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc2ccccc21 ZINC000009190811 569510611 /nfs/dbraw/zinc/51/06/11/569510611.db2.gz BKRTZTGLYPIPHC-UHFFFAOYSA-N 0 0 432.480 4.961 50 0 IJAARN CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc2c(c1)CCCC2 ZINC000009193314 569510872 /nfs/dbraw/zinc/51/08/72/569510872.db2.gz LKUSHRISRCEIRO-UHFFFAOYSA-N 0 0 432.593 4.521 50 0 IJAARN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000009194725 569510953 /nfs/dbraw/zinc/51/09/53/569510953.db2.gz WPPJRRCBBBOOPW-UHFFFAOYSA-N 0 0 434.867 4.544 50 0 IJAARN COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000009205176 569511370 /nfs/dbraw/zinc/51/13/70/569511370.db2.gz FWFDBXYTVUBAKW-OAHLLOKOSA-N 0 0 425.485 4.592 50 0 IJAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009207464 569511444 /nfs/dbraw/zinc/51/14/44/569511444.db2.gz IPYXKFBYOYMGFF-HNNXBMFYSA-N 0 0 448.504 4.684 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212106 569511978 /nfs/dbraw/zinc/51/19/78/569511978.db2.gz SGHCDTNGIIFLEY-UHFFFAOYSA-N 0 0 438.549 4.605 50 0 IJAARN COc1ccccc1[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1c1nc(C)c(C)s1 ZINC000009215668 569511983 /nfs/dbraw/zinc/51/19/83/569511983.db2.gz VZMYEQVQGNNWME-FQEVSTJZSA-N 0 0 432.501 4.933 50 0 IJAARN Cc1oc(-c2ccc(C(=O)NCCc3ccccc3)cc2)nc1C[S@@](=O)c1ccccc1 ZINC000009212036 569511987 /nfs/dbraw/zinc/51/19/87/569511987.db2.gz 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O=C(Nc1ccccc1Cl)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009238289 569514324 /nfs/dbraw/zinc/51/43/24/569514324.db2.gz LLZQJIISQSTCHP-UXHICEINSA-N 0 0 447.951 4.996 50 0 IJAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)c1 ZINC000009242875 569514800 /nfs/dbraw/zinc/51/48/00/569514800.db2.gz BLSYMMLSMSLWTG-QHCPKHFHSA-N 0 0 428.467 4.679 50 0 IJAARN CCCCn1c2ccccc2nc(CCC(=O)NCc2ccc(Cl)cc2Cl)c1=O ZINC000009244492 569515105 /nfs/dbraw/zinc/51/51/05/569515105.db2.gz LQUQZAHVHXZUGL-UHFFFAOYSA-N 0 0 432.351 4.752 50 0 IJAARN CCN(CC)c1ccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(C(F)(F)F)c3)oc2c1 ZINC000009246945 569515517 /nfs/dbraw/zinc/51/55/17/569515517.db2.gz PJFMHPCTMOQAJY-SLMZUGIISA-N 0 0 445.441 4.807 50 0 IJAARN Cc1cc(C)c2c(n1)sc(C(=O)N[C@H](C)c1ccc3c(c1)OCCO3)c2-n1cccc1 ZINC000009251915 569515995 /nfs/dbraw/zinc/51/59/95/569515995.db2.gz UUDAJIQYJIRGLE-MRXNPFEDSA-N 0 0 433.533 4.966 50 0 IJAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000009255689 569516653 /nfs/dbraw/zinc/51/66/53/569516653.db2.gz LJPKWJDVOVOWFL-UHFFFAOYSA-N 0 0 436.558 4.684 50 0 IJAARN COc1ccc2c(C[NH2+]Cc3cccc(OC)c3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000009274782 569518185 /nfs/dbraw/zinc/51/81/85/569518185.db2.gz YHADWBIGWOFARK-UHFFFAOYSA-N 0 0 448.494 4.834 50 0 IJAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009283865 569518940 /nfs/dbraw/zinc/51/89/40/569518940.db2.gz UXRQCMRKSFNPEB-UHFFFAOYSA-N 0 0 444.468 4.556 50 0 IJAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1c3ccccc3n(C)c1-c1ccccc1)C2=O ZINC000009285840 569519251 /nfs/dbraw/zinc/51/92/51/569519251.db2.gz NDZZOTCQIHFOEG-MRDQGFSESA-N 0 0 429.520 4.529 50 0 IJAARN CC[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289264 569519520 /nfs/dbraw/zinc/51/95/20/569519520.db2.gz NJGGHOGHCXXOIS-HXUWFJFHSA-N 0 0 444.560 4.711 50 0 IJAARN Cc1cccc(C)c1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C(C)C ZINC000009303867 569521053 /nfs/dbraw/zinc/52/10/53/569521053.db2.gz 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O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1C[C@H](O)c1ccccc1 ZINC000009344850 569523997 /nfs/dbraw/zinc/52/39/97/569523997.db2.gz GYMSSNWHVYYXQN-UGKGYDQZSA-N 0 0 449.865 4.864 50 0 IJAARN Cc1c(C)n(-c2cccc(C)n2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009344538 569523999 /nfs/dbraw/zinc/52/39/99/569523999.db2.gz JBFJHJQEARFSJZ-UHFFFAOYSA-N 0 0 441.520 4.822 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1Cl ZINC000009355973 569525288 /nfs/dbraw/zinc/52/52/88/569525288.db2.gz SJRJRHHDKDDDNU-JOCHJYFZSA-N 0 0 442.924 4.968 50 0 IJAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1Cl ZINC000009355974 569525339 /nfs/dbraw/zinc/52/53/39/569525339.db2.gz SJRJRHHDKDDDNU-QFIPXVFZSA-N 0 0 442.924 4.968 50 0 IJAARN CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)c(C(=O)OCC)c1C ZINC000009363700 569525952 /nfs/dbraw/zinc/52/59/52/569525952.db2.gz BARHHFPPAXRKJX-UHFFFAOYSA-N 0 0 430.309 4.969 50 0 IJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000009365986 569526215 /nfs/dbraw/zinc/52/62/15/569526215.db2.gz KFTYQZHKQZQLEO-YWZLYKJASA-N 0 0 438.622 4.940 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000009372948 569526974 /nfs/dbraw/zinc/52/69/74/569526974.db2.gz ZYERPMZJGPKZGU-MRXNPFEDSA-N 0 0 427.785 4.765 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000009372949 569526984 /nfs/dbraw/zinc/52/69/84/569526984.db2.gz ZYERPMZJGPKZGU-INIZCTEOSA-N 0 0 427.785 4.765 50 0 IJAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000009377577 569527479 /nfs/dbraw/zinc/52/74/79/569527479.db2.gz XGSJUSARYMYULO-RUZDIDTESA-N 0 0 429.520 4.922 50 0 IJAARN CC[C@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccc(OC)cc1 ZINC000009382872 569528358 /nfs/dbraw/zinc/52/83/58/569528358.db2.gz DOWJCVAHEGUJIT-AWEZNQCLSA-N 0 0 426.567 4.591 50 0 IJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009382539 569528361 /nfs/dbraw/zinc/52/83/61/569528361.db2.gz BFLSLEOVYDUGNM-UHFFFAOYSA-N 0 0 435.528 4.659 50 0 IJAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccccc1SC[C@H]1CCCO1 ZINC000070017410 569528667 /nfs/dbraw/zinc/52/86/67/569528667.db2.gz VAVRWKNRGJDCKT-CQSZACIVSA-N 0 0 426.369 4.501 50 0 IJAARN Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)C1CCCCC1 ZINC000009392240 569529079 /nfs/dbraw/zinc/52/90/79/569529079.db2.gz LHRVOXBHMPFXLM-HSZRJFAPSA-N 0 0 439.581 4.625 50 0 IJAARN Cc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C2CCCCC2)cc1 ZINC000009392180 569529112 /nfs/dbraw/zinc/52/91/12/569529112.db2.gz XVWPAJAQUIMIIS-QHCPKHFHSA-N 0 0 439.581 4.625 50 0 IJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009403481 569529457 /nfs/dbraw/zinc/52/94/57/569529457.db2.gz MNCIRVLWUXAGPU-DEOSSOPVSA-N 0 0 443.503 4.541 50 0 IJAARN CCc1ccc(N(CC)C(=O)C2CCN(c3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000009405516 569529925 /nfs/dbraw/zinc/52/99/25/569529925.db2.gz QELKNLISVGLPQL-UHFFFAOYSA-N 0 0 434.540 4.577 50 0 IJAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009407196 569530176 /nfs/dbraw/zinc/53/01/76/569530176.db2.gz UPYLIZRZKVFRSF-PKTZIBPZSA-N 0 0 431.561 4.683 50 0 IJAARN COc1ccc(C)cc1N(C)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407700 569530262 /nfs/dbraw/zinc/53/02/62/569530262.db2.gz YHPQGTRTXOZBOG-UHFFFAOYSA-N 0 0 447.965 4.949 50 0 IJAARN CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)c1 ZINC000009409161 569530888 /nfs/dbraw/zinc/53/08/88/569530888.db2.gz VZFRXFULKISOAE-AREMUKBSSA-N 0 0 439.515 4.969 50 0 IJAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000009409141 569530938 /nfs/dbraw/zinc/53/09/38/569530938.db2.gz VRLVFMVMMPEBKQ-AREMUKBSSA-N 0 0 439.515 4.969 50 0 IJAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(Cl)cc1Cl ZINC000009413680 569531800 /nfs/dbraw/zinc/53/18/00/569531800.db2.gz XLUYCAYGXDOBOJ-MHZLTWQESA-N 0 0 440.739 4.847 50 0 IJAARN Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nn32)cc1 ZINC000009415092 569532120 /nfs/dbraw/zinc/53/21/20/569532120.db2.gz RBLNQYBUVUSHJL-UHFFFAOYSA-N 0 0 443.454 4.849 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000009416111 569532303 /nfs/dbraw/zinc/53/23/03/569532303.db2.gz RLFWEFIYNYWCGB-UHFFFAOYSA-N 0 0 448.596 4.786 50 0 IJAARN O=C(NCCNC(=O)c1ccc2ccccc2n1)c1sc2cc(Cl)ccc2c1Cl ZINC000009420755 569532701 /nfs/dbraw/zinc/53/27/01/569532701.db2.gz HNMJBNBTBAWQGX-UHFFFAOYSA-N 0 0 444.343 4.916 50 0 IJAARN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 ZINC000009423591 569532946 /nfs/dbraw/zinc/53/29/46/569532946.db2.gz MYTMYGPPCGDTEE-ACCUITESSA-N 0 0 449.938 4.920 50 0 IJAARN CC(C)(C)SCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009427212 569533328 /nfs/dbraw/zinc/53/33/28/569533328.db2.gz LNRNJQRAILIEEF-HSZRJFAPSA-N 0 0 442.650 4.765 50 0 IJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 ZINC000009427851 569533406 /nfs/dbraw/zinc/53/34/06/569533406.db2.gz VHSXGUZXGUJOHE-UHFFFAOYSA-N 0 0 428.488 4.701 50 0 IJAARN Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c2c1 ZINC000009430851 569533977 /nfs/dbraw/zinc/53/39/77/569533977.db2.gz MDQLGNVLHHKPES-UHFFFAOYSA-N 0 0 448.544 4.743 50 0 IJAARN CCN(C(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1)c1cccc(Cl)c1 ZINC000009431623 569534238 /nfs/dbraw/zinc/53/42/38/569534238.db2.gz CYSOOVPLPRBWJZ-QGZVFWFLSA-N 0 0 440.931 4.668 50 0 IJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)cc(C)c2)[C@@H]1c1cccs1 ZINC000009432896 569534536 /nfs/dbraw/zinc/53/45/36/569534536.db2.gz YUNBEFNDMDBMPR-GOTSBHOMSA-N 0 0 434.561 4.931 50 0 IJAARN Cc1cc(C2=NNC(=NCc3ccc4c(c3)OCO4)SC2)c(C)n1Cc1cccs1 ZINC000009442253 569535505 /nfs/dbraw/zinc/53/55/05/569535505.db2.gz WFRCHOKCVWDSCN-UHFFFAOYSA-N 0 0 438.578 4.540 50 0 IJAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccco2)cc1 ZINC000009442598 569535588 /nfs/dbraw/zinc/53/55/88/569535588.db2.gz XROBGHZJLFLEFS-UHFFFAOYSA-N 0 0 434.521 4.634 50 0 IJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009444230 569535772 /nfs/dbraw/zinc/53/57/72/569535772.db2.gz VXYITRWWTJZDME-DEOSSOPVSA-N 0 0 444.556 4.759 50 0 IJAARN COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)c1 ZINC000009461460 569537077 /nfs/dbraw/zinc/53/70/77/569537077.db2.gz MKIZEJNHWRSBHJ-UHFFFAOYSA-N 0 0 435.549 4.734 50 0 IJAARN CCc1ccc(N(C(C)=O)c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 ZINC000009462665 569537273 /nfs/dbraw/zinc/53/72/73/569537273.db2.gz OTECYQPFFDNFKC-UHFFFAOYSA-N 0 0 428.587 4.784 50 0 IJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)n2-c2ccccc2)cc1 ZINC000009465123 569537861 /nfs/dbraw/zinc/53/78/61/569537861.db2.gz GCPUTDWMILJHME-LJQANCHMSA-N 0 0 449.624 4.884 50 0 IJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl ZINC000009466429 569538175 /nfs/dbraw/zinc/53/81/75/569538175.db2.gz YMVNNTKEYSALPJ-UHFFFAOYSA-N 0 0 439.821 4.740 50 0 IJAARN CSCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 ZINC000009467815 569538475 /nfs/dbraw/zinc/53/84/75/569538475.db2.gz LWLGGWQRHIPYFS-HXUWFJFHSA-N 0 0 448.596 4.990 50 0 IJAARN Cc1ccc(Nc2nc(N)nc(CSc3ncc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000009469796 569538826 /nfs/dbraw/zinc/53/88/26/569538826.db2.gz JUMDBQCVCNOOJG-UHFFFAOYSA-N 0 0 426.855 4.865 50 0 IJAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCc2ccccc2)CC1 ZINC000009474694 569539022 /nfs/dbraw/zinc/53/90/22/569539022.db2.gz VJELROTUCJWWIV-UHFFFAOYSA-N 0 0 429.567 4.544 50 0 IJAARN Cc1c(Cl)cnc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1Cl ZINC000009476807 569539066 /nfs/dbraw/zinc/53/90/66/569539066.db2.gz ACTFKRAJYPKIHY-UHFFFAOYSA-N 0 0 434.352 4.886 50 0 IJAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000009481639 569539495 /nfs/dbraw/zinc/53/94/95/569539495.db2.gz HDUPSDIMQMWJOG-UHFFFAOYSA-N 0 0 442.894 4.931 50 0 IJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)N3CCCCCC3)ccc2c1=O ZINC000009486422 569539608 /nfs/dbraw/zinc/53/96/08/569539608.db2.gz YWAOKTIRQWWASF-UHFFFAOYSA-N 0 0 437.492 4.765 50 0 IJAARN O=C([C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1)N1CCCC1 ZINC000009494030 569540830 /nfs/dbraw/zinc/54/08/30/569540830.db2.gz BQFMSVITHCHBBQ-HNNXBMFYSA-N 0 0 440.878 4.857 50 0 IJAARN CC(C)(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000009497084 569541278 /nfs/dbraw/zinc/54/12/78/569541278.db2.gz OHHHGLIZZDSUBL-UHFFFAOYSA-N 0 0 431.565 4.903 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(Cc3csc(C)n3)o2)c(C)n1Cc1cccs1 ZINC000009498331 569541318 /nfs/dbraw/zinc/54/13/18/569541318.db2.gz LEFHWEFJHAOUSO-UHFFFAOYSA-N 0 0 444.607 4.928 50 0 IJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 ZINC000009499945 569541515 /nfs/dbraw/zinc/54/15/15/569541515.db2.gz NIPXPXVXVSESJY-UHFFFAOYSA-N 0 0 427.482 4.800 50 0 IJAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009501950 569541667 /nfs/dbraw/zinc/54/16/67/569541667.db2.gz JWJAYBALXFHCKN-UHFFFAOYSA-N 0 0 437.565 4.811 50 0 IJAARN CC[C@H](c1nnc(SCc2nc(-c3ccccc3)no2)n1Cc1ccccc1)N(C)C ZINC000009502611 569541699 /nfs/dbraw/zinc/54/16/99/569541699.db2.gz MISUXWAYDKLNIY-LJQANCHMSA-N 0 0 434.569 4.681 50 0 IJAARN C[C@@H](Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000009506959 569541926 /nfs/dbraw/zinc/54/19/26/569541926.db2.gz LSZDAEPFEOJZBN-LLVKDONJSA-N 0 0 442.953 4.819 50 0 IJAARN COCCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000009507428 569542022 /nfs/dbraw/zinc/54/20/22/569542022.db2.gz KIHKZKRXTVHIDW-UHFFFAOYSA-N 0 0 434.924 4.505 50 0 IJAARN COc1ccc(-n2c(SCC(=O)N[C@@H](C)C(C)C)nnc2-c2ccccc2)cc1Cl ZINC000009507822 569542122 /nfs/dbraw/zinc/54/21/22/569542122.db2.gz QKFFAMBGTGBOPZ-HNNXBMFYSA-N 0 0 444.988 4.849 50 0 IJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CCc1ccccc1 ZINC000009508410 569542315 /nfs/dbraw/zinc/54/23/15/569542315.db2.gz SXTNWINZVVZLOC-UHFFFAOYSA-N 0 0 431.561 4.570 50 0 IJAARN O=C([C@H](Sc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1)N1CCOCC1 ZINC000009514443 569543177 /nfs/dbraw/zinc/54/31/77/569543177.db2.gz GBGAXFYJRNBHPN-XMMPIXPASA-N 0 0 441.556 4.989 50 0 IJAARN COCCNC(=O)CSc1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000009515041 569543251 /nfs/dbraw/zinc/54/32/51/569543251.db2.gz HUBQDBIUIHCJOF-IBGZPJMESA-N 0 0 448.588 4.699 50 0 IJAARN CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)N(CC)CC)ccc43)c(=O)oc21 ZINC000009517230 569543641 /nfs/dbraw/zinc/54/36/41/569543641.db2.gz GOEOIFUMVWYUJM-UHFFFAOYSA-N 0 0 449.459 4.806 50 0 IJAARN CSc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519472 569544313 /nfs/dbraw/zinc/54/43/13/569544313.db2.gz RZWCNNBTPLOWJQ-UHFFFAOYSA-N 0 0 449.576 4.587 50 0 IJAARN Cc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009522594 569544397 /nfs/dbraw/zinc/54/43/97/569544397.db2.gz CAJHTSXXIVTSHD-OAHLLOKOSA-N 0 0 444.940 4.742 50 0 IJAARN Cc1[nH]nc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1Br ZINC000009529322 569544800 /nfs/dbraw/zinc/54/48/00/569544800.db2.gz DZZFBLCICIKLLB-UHFFFAOYSA-N 0 0 443.899 4.895 50 0 IJAARN COCCN(CCOC)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000009531142 569545059 /nfs/dbraw/zinc/54/50/59/569545059.db2.gz UIZFCSJAOCSPIX-UHFFFAOYSA-N 0 0 436.943 4.840 50 0 IJAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000009534739 569545502 /nfs/dbraw/zinc/54/55/02/569545502.db2.gz XOLWJOPPWUZZHS-QFIPXVFZSA-N 0 0 427.547 4.574 50 0 IJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000009540544 569545876 /nfs/dbraw/zinc/54/58/76/569545876.db2.gz GZDLPVDQSZWJNY-INIZCTEOSA-N 0 0 425.863 4.790 50 0 IJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000009547169 569546405 /nfs/dbraw/zinc/54/64/05/569546405.db2.gz ZKKZMWRZOCEOSW-KRWDZBQOSA-N 0 0 438.487 4.819 50 0 IJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000009549733 569546597 /nfs/dbraw/zinc/54/65/97/569546597.db2.gz DWLJDMIGEUAMNZ-NRFANRHFSA-N 0 0 439.562 4.514 50 0 IJAARN Cc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)n(C2CCCCC2)c1C ZINC000009549854 569546694 /nfs/dbraw/zinc/54/66/94/569546694.db2.gz LMTLVSYHFXRAJM-AWEZNQCLSA-N 0 0 446.642 4.774 50 0 IJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(C)cc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009559071 569546970 /nfs/dbraw/zinc/54/69/70/569546970.db2.gz ACRMRFUKUGUNGR-UHFFFAOYSA-N 0 0 446.528 4.850 50 0 IJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000009572549 569547807 /nfs/dbraw/zinc/54/78/07/569547807.db2.gz VONHNUXAWJSAMJ-UHFFFAOYSA-N 0 0 445.976 4.829 50 0 IJAARN CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)c1 ZINC000009576340 569548047 /nfs/dbraw/zinc/54/80/47/569548047.db2.gz TVQVBYPEYJZANF-UHFFFAOYSA-N 0 0 427.456 4.989 50 0 biogenic IJAARN COc1cc(-c2nnc(CSc3ncnc4sc(C)c(C)c43)o2)cc(OC)c1OC ZINC000009579753 569548552 /nfs/dbraw/zinc/54/85/52/569548552.db2.gz DSENAEZDQUGDCA-UHFFFAOYSA-N 0 0 444.538 4.676 50 0 IJAARN C[C@@H]1CSC(N(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccc(Cl)cc2)=N1 ZINC000009581968 569549206 /nfs/dbraw/zinc/54/92/06/569549206.db2.gz QTFGBXCUHJDUCL-CJNGLKHVSA-N 0 0 433.986 4.531 50 0 IJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009584276 569549409 /nfs/dbraw/zinc/54/94/09/569549409.db2.gz LNHFOSQSKKEUNN-KRWDZBQOSA-N 0 0 448.544 4.680 50 0 IJAARN COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccccc2Cl)cc1OC ZINC000009591163 569550157 /nfs/dbraw/zinc/55/01/57/569550157.db2.gz HBOHTBVEVLQKFA-UHFFFAOYSA-N 0 0 448.910 4.916 50 0 IJAARN CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)c1 ZINC000009592163 569550294 /nfs/dbraw/zinc/55/02/94/569550294.db2.gz PLHMANHJDVYIPS-IBGZPJMESA-N 0 0 433.489 4.573 50 0 IJAARN CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(F)cc2)s1 ZINC000009593441 569550376 /nfs/dbraw/zinc/55/03/76/569550376.db2.gz FLPCNWWMVUUQNA-GOSISDBHSA-N 0 0 439.443 4.625 50 0 IJAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c(s3)CCC4)ccc2C)cc1 ZINC000009595636 569550760 /nfs/dbraw/zinc/55/07/60/569550760.db2.gz OSTUCHKQWLCQRV-UHFFFAOYSA-N 0 0 442.562 4.607 50 0 IJAARN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1Cl ZINC000009598503 569550987 /nfs/dbraw/zinc/55/09/87/569550987.db2.gz CDBRJEXMOOVSOT-DHIUTWEWSA-N 0 0 432.907 4.824 50 0 IJAARN Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000009599055 569551114 /nfs/dbraw/zinc/55/11/14/569551114.db2.gz LGHMBLBRMDESFF-UHFFFAOYSA-N 0 0 442.943 4.925 50 0 IJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000009599534 569551251 /nfs/dbraw/zinc/55/12/51/569551251.db2.gz DELXISGYDWCKAH-UHFFFAOYSA-N 0 0 441.361 4.919 50 0 IJAARN O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)Nc1cccc(C(F)(F)F)c1 ZINC000009599862 569551367 /nfs/dbraw/zinc/55/13/67/569551367.db2.gz IZSPRPWHMGBETB-UHFFFAOYSA-N 0 0 444.504 4.807 50 0 IJAARN Cc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c(C)c1 ZINC000009601311 569551594 /nfs/dbraw/zinc/55/15/94/569551594.db2.gz SLTWBVVMPUBMFN-UHFFFAOYSA-N 0 0 444.725 4.688 50 0 IJAARN CCS(=O)(=O)N1CCc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc21 ZINC000009605064 569551920 /nfs/dbraw/zinc/55/19/20/569551920.db2.gz NQTFWCQLEQKXFU-UHFFFAOYSA-N 0 0 441.603 4.723 50 0 IJAARN COc1ccccc1NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000009608987 569552286 /nfs/dbraw/zinc/55/22/86/569552286.db2.gz XBZOEBQUDFHACP-QFIPXVFZSA-N 0 0 432.545 4.592 50 0 IJAARN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c2C)c1-c1ccc(F)cc1 ZINC000009609382 569552307 /nfs/dbraw/zinc/55/23/07/569552307.db2.gz GVRAFWLGYPLJMA-UHFFFAOYSA-N 0 0 446.482 4.761 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1OC ZINC000009609627 569552354 /nfs/dbraw/zinc/55/23/54/569552354.db2.gz REEXOOQUIKPPRB-UHFFFAOYSA-N 0 0 448.498 4.741 50 0 IJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1 ZINC000009609780 569552434 /nfs/dbraw/zinc/55/24/34/569552434.db2.gz JLIACFBLCOGFOU-UHFFFAOYSA-N 0 0 430.508 4.602 50 0 IJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3ccc(C)cc3c2=O)cc1 ZINC000009610786 569552626 /nfs/dbraw/zinc/55/26/26/569552626.db2.gz HFIWVDYBOVMPDI-UHFFFAOYSA-N 0 0 427.500 4.997 50 0 IJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccc(F)cc1 ZINC000009610758 569552657 /nfs/dbraw/zinc/55/26/57/569552657.db2.gz YEGLORFTTYLFLZ-UHFFFAOYSA-N 0 0 431.463 4.827 50 0 IJAARN Cc1cc(C)c(Cn2c3sc4c(c3c(=O)n(Cc3ccccc3)c2=O)CCC4)c(C)c1 ZINC000009615407 569553210 /nfs/dbraw/zinc/55/32/10/569553210.db2.gz VZDDGLAIWCYFQI-UHFFFAOYSA-N 0 0 430.573 4.735 50 0 IJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC ZINC000009632001 569553867 /nfs/dbraw/zinc/55/38/67/569553867.db2.gz UKEVIYYTRKELPI-UHFFFAOYSA-N 0 0 431.517 4.927 50 0 IJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)cc1F ZINC000009632158 569553896 /nfs/dbraw/zinc/55/38/96/569553896.db2.gz KTCNWCVZFIFVKW-UHFFFAOYSA-N 0 0 446.931 4.861 50 0 IJAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc[nH]1 ZINC000009632444 569554013 /nfs/dbraw/zinc/55/40/13/569554013.db2.gz SZXRFWTVXFIRGN-UHFFFAOYSA-N 0 0 439.924 4.659 50 0 IJAARN CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009632999 569554180 /nfs/dbraw/zinc/55/41/80/569554180.db2.gz JZMUGDNPDQJIHA-UHFFFAOYSA-N 0 0 440.952 4.906 50 0 IJAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccco1 ZINC000009633227 569554228 /nfs/dbraw/zinc/55/42/28/569554228.db2.gz GVAKWTVTVNAVBA-UHFFFAOYSA-N 0 0 426.856 4.598 50 0 IJAARN CC1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 ZINC000009633656 569554278 /nfs/dbraw/zinc/55/42/78/569554278.db2.gz SKYATIKWSZWLKC-INIZCTEOSA-N 0 0 441.862 4.670 50 0 IJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000009638613 569555022 /nfs/dbraw/zinc/55/50/22/569555022.db2.gz NEKOQTNFPJPQBI-UHFFFAOYSA-N 0 0 433.002 4.669 50 0 IJAARN Cc1ccc(-c2nc3cc(=O)[nH]n3c(SCCCOc3ccc(Cl)c(C)c3)n2)cc1 ZINC000009640704 569555444 /nfs/dbraw/zinc/55/54/44/569555444.db2.gz MVIWTMYCLMDCEY-UHFFFAOYSA-N 0 0 440.956 4.916 50 0 IJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009642220 569555787 /nfs/dbraw/zinc/55/57/87/569555787.db2.gz GAZMRURTKNRCAL-HNNXBMFYSA-N 0 0 426.563 4.566 50 0 IJAARN COCCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1Cl ZINC000009647065 569556387 /nfs/dbraw/zinc/55/63/87/569556387.db2.gz DRGPHOZJJOGAJS-AWEZNQCLSA-N 0 0 448.951 4.893 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)c1 ZINC000009659240 569556612 /nfs/dbraw/zinc/55/66/12/569556612.db2.gz OCNAVMGBEYHDSX-UHFFFAOYSA-N 0 0 445.928 4.556 50 0 IJAARN COc1ccccc1CNC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000009663541 569557243 /nfs/dbraw/zinc/55/72/43/569557243.db2.gz DMRPUUWLLHFBAS-OAHLLOKOSA-N 0 0 447.564 4.567 50 0 IJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCc1ccccc1 ZINC000009667322 569557817 /nfs/dbraw/zinc/55/78/17/569557817.db2.gz KNRVACOFAWUZLC-SIBVEZHUSA-N 0 0 437.543 4.769 50 0 IJAARN Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C)n1C1CC1 ZINC000009669467 569558047 /nfs/dbraw/zinc/55/80/47/569558047.db2.gz USIRJGLWZDYSPI-UHFFFAOYSA-N 0 0 430.961 4.776 50 0 IJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)C)n2)s1 ZINC000009670421 569558359 /nfs/dbraw/zinc/55/83/59/569558359.db2.gz HVTXIRQGZCGJJP-UHFFFAOYSA-N 0 0 443.594 4.691 50 0 IJAARN COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1cc(=O)n2ccsc2n1 ZINC000009671439 569558581 /nfs/dbraw/zinc/55/85/81/569558581.db2.gz IXMGHHLZIHNNNH-UHFFFAOYSA-N 0 0 446.557 4.910 50 0 IJAARN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000009673141 569558851 /nfs/dbraw/zinc/55/88/51/569558851.db2.gz ZQOYIAJYQUUQNJ-LLGFUMIMSA-N 0 0 446.613 4.860 50 0 IJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2ccccn2)cc1 ZINC000009679300 569559962 /nfs/dbraw/zinc/55/99/62/569559962.db2.gz XLOAFHFXXUXQNV-DEOSSOPVSA-N 0 0 438.487 4.707 50 0 IJAARN COc1ccc(Nc2cc(C(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3n2)cc1 ZINC000009680566 569560054 /nfs/dbraw/zinc/56/00/54/569560054.db2.gz QNEVRSXBPNTJKL-LJQANCHMSA-N 0 0 441.487 4.557 50 0 IJAARN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681993 569560292 /nfs/dbraw/zinc/56/02/92/569560292.db2.gz PSTGAQFQRHVLKX-LVCYWYKZSA-N 0 0 442.563 4.740 50 0 IJAARN COc1cccc(NCc2nnc(S[C@@H](C)C(=O)N3CCCC3)n2C2CCCCC2)c1 ZINC000009696798 569561202 /nfs/dbraw/zinc/56/12/02/569561202.db2.gz HMNSSFRWRYUGNV-KRWDZBQOSA-N 0 0 443.617 4.507 50 0 IJAARN COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC ZINC000009704310 569561506 /nfs/dbraw/zinc/56/15/06/569561506.db2.gz KTMCTCAYJPYOOK-UHFFFAOYSA-N 0 0 427.504 4.529 50 0 IJAARN Cc1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)noc1-c1ccc(F)cc1 ZINC000009712266 569562196 /nfs/dbraw/zinc/56/21/96/569562196.db2.gz WTCJNWDMGLCWPJ-UHFFFAOYSA-N 0 0 441.462 4.785 50 0 IJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000009712769 569562390 /nfs/dbraw/zinc/56/23/90/569562390.db2.gz AJZIRURYRUTUEA-UHFFFAOYSA-N 0 0 448.327 4.880 50 0 IJAARN O=S(=O)(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc2ccccc2c1 ZINC000009714646 569562814 /nfs/dbraw/zinc/56/28/14/569562814.db2.gz VLVIWHFTNGGSFO-UHFFFAOYSA-N 0 0 430.533 4.698 50 0 IJAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1OC ZINC000009725375 569563771 /nfs/dbraw/zinc/56/37/71/569563771.db2.gz MEDXFPWKMUWYSR-UHFFFAOYSA-N 0 0 438.487 4.907 50 0 IJAARN CCOc1ccc([C@H]2CCCN2c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)cc1 ZINC000009728563 569564163 /nfs/dbraw/zinc/56/41/63/569564163.db2.gz HJIASVVYIJXHOT-LJQANCHMSA-N 0 0 435.915 4.502 50 0 IJAARN C[C@@H](c1nnc(SCc2cn3ccccc3n2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000009729741 569564288 /nfs/dbraw/zinc/56/42/88/569564288.db2.gz AKFYUWIGYNQLBG-KRWDZBQOSA-N 0 0 436.560 4.893 50 0 IJAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1 ZINC000009741633 569565287 /nfs/dbraw/zinc/56/52/87/569565287.db2.gz DDYPJOZSJGRDAQ-OAHLLOKOSA-N 0 0 426.972 4.800 50 0 IJAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000009746715 569565774 /nfs/dbraw/zinc/56/57/74/569565774.db2.gz WBVKVFHYXWOTCJ-UHFFFAOYSA-N 0 0 429.929 4.633 50 0 IJAARN CCCCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1F ZINC000009749298 569566008 /nfs/dbraw/zinc/56/60/08/569566008.db2.gz XZGXGYLUVHOFIA-UHFFFAOYSA-N 0 0 425.485 4.813 50 0 IJAARN CC(C)CCn1c(SCC(=O)NCc2ccccc2)nc2c3ccccc3oc2c1=O ZINC000009751476 569566050 /nfs/dbraw/zinc/56/60/50/569566050.db2.gz OYWSGLXJAYYZOB-UHFFFAOYSA-N 0 0 435.549 4.597 50 0 IJAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009752342 569566081 /nfs/dbraw/zinc/56/60/81/569566081.db2.gz RERVAXYOZWDEIB-UHFFFAOYSA-N 0 0 431.876 4.686 50 0 IJAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000009752191 569566123 /nfs/dbraw/zinc/56/61/23/569566123.db2.gz KGHBCHPFUMBLSG-UHFFFAOYSA-N 0 0 443.912 4.555 50 0 IJAARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000009764368 569566768 /nfs/dbraw/zinc/56/67/68/569566768.db2.gz UBGKCIQZKJCPBT-UHFFFAOYSA-N 0 0 437.912 4.839 50 0 IJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000009767378 569566913 /nfs/dbraw/zinc/56/69/13/569566913.db2.gz XLWNKAHSKYDZDS-UHFFFAOYSA-N 0 0 443.528 4.616 50 0 IJAARN Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000009778427 569567267 /nfs/dbraw/zinc/56/72/67/569567267.db2.gz VDCWYCKGPOEUQW-UHFFFAOYSA-N 0 0 449.605 4.509 50 0 IJAARN Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000009778700 569567317 /nfs/dbraw/zinc/56/73/17/569567317.db2.gz JKLHNYMZWYYLSX-RTWAWAEBSA-N 0 0 434.854 4.540 50 0 IJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)CCc2c[nH]c3ccccc23)cs1 ZINC000009779360 569567404 /nfs/dbraw/zinc/56/74/04/569567404.db2.gz IMUACHNBPPDQBW-UHFFFAOYSA-N 0 0 433.533 4.790 50 0 IJAARN Cc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2s1 ZINC000009779896 569567444 /nfs/dbraw/zinc/56/74/44/569567444.db2.gz NAODNUAGDRWYEI-UHFFFAOYSA-N 0 0 449.985 4.685 50 0 IJAARN Cc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cs1 ZINC000009782359 569567668 /nfs/dbraw/zinc/56/76/68/569567668.db2.gz NJUBHPSNIOMESL-NRFANRHFSA-N 0 0 436.533 4.779 50 0 IJAARN C[C@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)cc2NC1=O ZINC000009783181 569567810 /nfs/dbraw/zinc/56/78/10/569567810.db2.gz ILRDFALZILBKPH-OAHLLOKOSA-N 0 0 442.450 4.650 50 0 IJAARN Cc1ccc(C2=NN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)[C@H](c3ccco3)C2)cc1 ZINC000009783504 569567859 /nfs/dbraw/zinc/56/78/59/569567859.db2.gz GLFVZELVXYQTQF-IBGZPJMESA-N 0 0 435.867 4.527 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1Cl ZINC000009785040 569567873 /nfs/dbraw/zinc/56/78/73/569567873.db2.gz HMQJGUPXGVUJTQ-UHFFFAOYSA-N 0 0 446.916 4.639 50 0 IJAARN COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1Cl ZINC000009784810 569567907 /nfs/dbraw/zinc/56/79/07/569567907.db2.gz LKXWDRXTFHGTKB-UHFFFAOYSA-N 0 0 430.917 4.939 50 0 IJAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cc2ccccc2o1 ZINC000009789378 569568139 /nfs/dbraw/zinc/56/81/39/569568139.db2.gz UVSVUXKFRXHLSW-QGZVFWFLSA-N 0 0 446.528 4.675 50 0 IJAARN C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009792688 569568280 /nfs/dbraw/zinc/56/82/80/569568280.db2.gz RLWYSEHLGNUKTF-FOIQADDNSA-N 0 0 427.591 4.904 50 0 IJAARN COc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc43)[C@H](c3ccco3)C2)cc1 ZINC000009794745 569568396 /nfs/dbraw/zinc/56/83/96/569568396.db2.gz ZPTSKFZNMBSAGV-NRFANRHFSA-N 0 0 444.516 4.701 50 0 IJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccnn4C4CCCC4)o3)cc2C1 ZINC000009814657 569569165 /nfs/dbraw/zinc/56/91/65/569569165.db2.gz YALMXAVEOHWDQC-CYBMUJFWSA-N 0 0 443.598 4.965 50 0 IJAARN CCOc1ccc(Nc2sc(C(=O)c3ccc(C)cc3)c(N)c2S(=O)(=O)CC)cc1 ZINC000009824767 569569678 /nfs/dbraw/zinc/56/96/78/569569678.db2.gz LTXILHSRKNBVFW-UHFFFAOYSA-N 0 0 444.578 4.806 50 0 IJAARN O=C(CSc1nnc2ccc(-c3ccccc3)nn21)Nc1ccccc1C(F)(F)F ZINC000009829034 569569897 /nfs/dbraw/zinc/56/98/97/569569897.db2.gz BAARUZOBSQOCDN-UHFFFAOYSA-N 0 0 429.427 4.541 50 0 IJAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3Cl)co2)n1 ZINC000009829240 569570029 /nfs/dbraw/zinc/57/00/29/569570029.db2.gz JWLYLHDHSOJUKK-UHFFFAOYSA-N 0 0 437.304 4.865 50 0 IJAARN CCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 ZINC000071118084 569570226 /nfs/dbraw/zinc/57/02/26/569570226.db2.gz PJOXOCQAOAMTAI-UHFFFAOYSA-N 0 0 433.913 4.699 50 0 IJAARN Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@@H](c1ccc(Br)cc1)N2 ZINC000009833743 569570408 /nfs/dbraw/zinc/57/04/08/569570408.db2.gz UXVOVXQLKMWCKU-GJZGRUSLSA-N 0 0 449.150 4.532 50 0 IJAARN Cn1c(Sc2c(=O)[nH]c3ccccc3c2NCCc2ccccc2)nnc1-c1ccco1 ZINC000009836679 569570722 /nfs/dbraw/zinc/57/07/22/569570722.db2.gz AHRXEYPOQHMMFW-UHFFFAOYSA-N 0 0 443.532 4.722 50 0 IJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000009847176 569571130 /nfs/dbraw/zinc/57/11/30/569571130.db2.gz MQAGLLWYNOYFEY-UHFFFAOYSA-N 0 0 444.516 4.629 50 0 IJAARN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O ZINC000009849455 569571311 /nfs/dbraw/zinc/57/13/11/569571311.db2.gz CBRUFTWLEKFXCE-VCHYOVAHSA-N 0 0 425.897 4.805 50 0 IJAARN Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2C)cc1 ZINC000009858328 569571695 /nfs/dbraw/zinc/57/16/95/569571695.db2.gz NITUKXCWYVSAHN-UHFFFAOYSA-N 0 0 431.565 4.544 50 0 IJAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1nc(-c2ccccc2)cs1 ZINC000009885098 569572846 /nfs/dbraw/zinc/57/28/46/569572846.db2.gz BUEVYXBFNVMQDV-UHFFFAOYSA-N 0 0 434.550 4.529 50 0 IJAARN C[C@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)Nc1ccccc1 ZINC000009892750 569573012 /nfs/dbraw/zinc/57/30/12/569573012.db2.gz MOVBWPWJBSYIBC-KRWDZBQOSA-N 0 0 425.496 4.798 50 0 IJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc12 ZINC000009914414 569573354 /nfs/dbraw/zinc/57/33/54/569573354.db2.gz HHYSJQWURLPSNO-OAHLLOKOSA-N 0 0 446.532 4.735 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000009958363 569574872 /nfs/dbraw/zinc/57/48/72/569574872.db2.gz OGNNHFBOJHOXCW-KOSHJBKYSA-N 0 0 448.519 4.610 50 0 IJAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000009958352 569574873 /nfs/dbraw/zinc/57/48/73/569574873.db2.gz OGNNHFBOJHOXCW-HOYKHHGWSA-N 0 0 448.519 4.610 50 0 IJAARN O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1nnc(-c2ccccc2)o1 ZINC000009958113 569574875 /nfs/dbraw/zinc/57/48/75/569574875.db2.gz ASNSXHNXXVVWFA-NRFANRHFSA-N 0 0 445.500 4.752 50 0 IJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2F)cc1 ZINC000009958933 569574972 /nfs/dbraw/zinc/57/49/72/569574972.db2.gz WVINILAALAVWIM-UHFFFAOYSA-N 0 0 434.423 4.850 50 0 IJAARN COc1ccc(-n2c(=O)c3sccc3nc2SCCOc2ccc(F)cc2)cc1 ZINC000071327672 569575376 /nfs/dbraw/zinc/57/53/76/569575376.db2.gz HQPFRVKFIVPQTI-UHFFFAOYSA-N 0 0 428.510 4.766 50 0 IJAARN CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c32)cc1 ZINC000071328137 569575461 /nfs/dbraw/zinc/57/54/61/569575461.db2.gz BRYVITYIIJEPRQ-UHFFFAOYSA-N 0 0 431.521 4.623 50 0 IJAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000071328147 569575553 /nfs/dbraw/zinc/57/55/53/569575553.db2.gz HGLUOMQXCJIQBJ-UHFFFAOYSA-N 0 0 432.505 4.567 50 0 IJAARN COc1ccc(-c2csc3ncn([C@@H](C)C(=O)Nc4ccc(C)cc4C)c(=O)c23)cc1 ZINC000009970900 569576235 /nfs/dbraw/zinc/57/62/35/569576235.db2.gz XWVCNMVEAYZQCO-INIZCTEOSA-N 0 0 433.533 4.950 50 0 IJAARN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1 ZINC000009972152 569576383 /nfs/dbraw/zinc/57/63/83/569576383.db2.gz CYXWMXZHXVOKLQ-UHFFFAOYSA-N 0 0 446.459 4.963 50 0 IJAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000010131420 569577984 /nfs/dbraw/zinc/57/79/84/569577984.db2.gz FBKUHIBNPQPFCB-UHFFFAOYSA-N 0 0 439.320 4.659 50 0 IJAARN O=C(Nc1ccc2sccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000010186906 569578472 /nfs/dbraw/zinc/57/84/72/569578472.db2.gz AKXGXEKVECKDQD-UHFFFAOYSA-N 0 0 440.999 4.656 50 0 IJAARN Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1 ZINC000010187517 569578585 /nfs/dbraw/zinc/57/85/85/569578585.db2.gz GIOXDOAFAGYDDE-UHFFFAOYSA-N 0 0 436.558 4.855 50 0 IJAARN CC(C)N(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000010188110 569578828 /nfs/dbraw/zinc/57/88/28/569578828.db2.gz MSONRHOBNLMXDI-UHFFFAOYSA-N 0 0 429.495 4.635 50 0 IJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)=O)CC2)cc1 ZINC000010213846 569579077 /nfs/dbraw/zinc/57/90/77/569579077.db2.gz CYSWSYOMCJYPAO-QFIPXVFZSA-N 0 0 439.943 4.621 50 0 IJAARN CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 ZINC000010214627 569579174 /nfs/dbraw/zinc/57/91/74/569579174.db2.gz LKFXZTZXMQGGFE-QHCPKHFHSA-N 0 0 433.552 4.584 50 0 IJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000010228101 569579325 /nfs/dbraw/zinc/57/93/25/569579325.db2.gz OJISNRIBYULAMX-UHFFFAOYSA-N 0 0 434.927 4.728 50 0 IJAARN Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000010233242 569579571 /nfs/dbraw/zinc/57/95/71/569579571.db2.gz BSKXNRWPEQDYAP-UHFFFAOYSA-N 0 0 443.455 4.761 50 0 IJAARN COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc(OC)c1OC ZINC000010235646 569579680 /nfs/dbraw/zinc/57/96/80/569579680.db2.gz OBMFYYXQPDOVBG-UHFFFAOYSA-N 0 0 446.956 4.995 50 0 IJAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000010253102 569579889 /nfs/dbraw/zinc/57/98/89/569579889.db2.gz OZDHVNFZGPGRBP-UHFFFAOYSA-N 0 0 436.558 4.938 50 0 IJAARN COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1Cl ZINC000010412573 569582005 /nfs/dbraw/zinc/58/20/05/569582005.db2.gz POYKGYRGEPGAQT-UHFFFAOYSA-N 0 0 428.337 4.727 50 0 IJAARN O=C(NCc1ccc(Cl)cc1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000575615406 569583582 /nfs/dbraw/zinc/58/35/82/569583582.db2.gz DHKBXKWIYOFKMX-UHFFFAOYSA-N 0 0 441.000 5.107 50 0 IJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3C)n2)cc1OC ZINC000009805598 569584396 /nfs/dbraw/zinc/58/43/96/569584396.db2.gz VTTLSKDHBIYPAZ-UHFFFAOYSA-N 0 0 427.551 4.571 50 0 IJAARN COc1ccc(-n2nnc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2)cc1 ZINC000077100310 569585357 /nfs/dbraw/zinc/58/53/57/569585357.db2.gz IECKTBVAXKKTCY-UHFFFAOYSA-N 0 0 442.504 4.508 50 0 IJAARN O=C(c1cc2ccccc2[nH]1)N1CCN(c2nc3c(cccc3C(F)(F)F)s2)CC1 ZINC000077101059 569585527 /nfs/dbraw/zinc/58/55/27/569585527.db2.gz RBLNWTVCHJVHET-UHFFFAOYSA-N 0 0 430.455 4.759 50 0 IJAARN Cc1ccc(N2CC(=O)C(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)=C2N)cc1F ZINC000034769871 569587658 /nfs/dbraw/zinc/58/76/58/569587658.db2.gz KBCVPVXDALYYQM-UHFFFAOYSA-N 0 0 433.430 4.993 50 0 IJAARN